NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542211 | 2lep | 17720 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -0.865 0.442 -2.278 2 HA MET 1 HA MET 1 0.985 1.632 -3.429 3 HB2 MET 1 1HB MET 1 1.645 2.317 -0.813 4 HB3 MET 1 2HB MET 1 2.809 1.057 -1.217 5 HG2 MET 1 1HG MET 1 2.410 3.743 -2.484 6 HG3 MET 1 2HG MET 1 3.912 2.922 -2.057 7 HE1 MET 1 3HE MET 1 4.341 3.398 -5.769 8 HE2 MET 1 1HE MET 1 5.364 2.733 -4.494 9 HE3 MET 1 2HE MET 1 4.381 4.162 -4.182 10 H LEU 2 H LEU 2 2.181 0.140 -4.588 11 HA LEU 2 HA LEU 2 2.357 -2.590 -3.449 12 HB2 LEU 2 1HB LEU 2 0.499 -1.971 -5.206 13 HB3 LEU 2 2HB LEU 2 1.816 -2.204 -6.337 14 HG LEU 2 HG LEU 2 2.069 -4.340 -4.591 15 HD11 LEU 2 1HD1 LEU 2 -0.066 -5.212 -4.196 16 HD12 LEU 2 2HD1 LEU 2 -0.813 -4.192 -5.425 17 HD13 LEU 2 3HD1 LEU 2 -0.301 -3.491 -3.889 18 HD21 LEU 2 3HD2 LEU 2 0.906 -3.916 -7.340 19 HD22 LEU 2 1HD2 LEU 2 1.025 -5.533 -6.641 20 HD23 LEU 2 2HD2 LEU 2 2.482 -4.574 -6.899 21 H MET 3 H MET 3 4.064 -3.836 -4.094 22 HA MET 3 HA MET 3 6.249 -2.442 -5.477 23 HB2 MET 3 1HB MET 3 6.539 -3.581 -3.168 24 HB3 MET 3 2HB MET 3 6.475 -5.097 -4.066 25 HG2 MET 3 1HG MET 3 8.347 -2.866 -4.871 26 HG3 MET 3 2HG MET 3 8.812 -4.066 -3.665 27 HE1 MET 3 3HE MET 3 10.431 -3.542 -6.173 28 HE2 MET 3 1HE MET 3 10.784 -5.157 -6.798 29 HE3 MET 3 2HE MET 3 10.851 -4.849 -5.066 30 H ILE 4 H ILE 4 6.958 -3.205 -7.473 31 HA ILE 4 HA ILE 4 5.482 -5.539 -8.534 32 HB ILE 4 HB ILE 4 6.522 -3.075 -9.926 33 HG12 ILE 4 1HG1 ILE 4 4.331 -2.903 -8.731 34 HG13 ILE 4 2HG1 ILE 4 4.210 -2.685 -10.476 35 HG21 ILE 4 1HG2 ILE 4 4.958 -5.070 -11.468 36 HG22 ILE 4 2HG2 ILE 4 6.601 -5.549 -11.076 37 HG23 ILE 4 3HG2 ILE 4 6.312 -4.064 -11.974 38 HD11 ILE 4 3HD1 ILE 4 2.419 -4.140 -9.886 39 HD12 ILE 4 1HD1 ILE 4 3.461 -5.133 -8.872 40 HD13 ILE 4 2HD1 ILE 4 3.642 -5.165 -10.629 41 H THR 5 H THR 5 8.479 -3.738 -9.215 42 HA THR 5 HA THR 5 10.006 -6.221 -9.225 43 HB THR 5 HB THR 5 8.913 -6.024 -11.536 44 HG1 THR 5 HG1 THR 5 10.716 -7.145 -11.708 45 HG21 THR 5 3HG2 THR 5 10.743 -3.966 -12.441 46 HG22 THR 5 1HG2 THR 5 9.652 -3.344 -11.209 47 HG23 THR 5 2HG2 THR 5 8.996 -4.083 -12.660 48 H SER 6 H SER 6 12.168 -5.313 -10.562 49 HA SER 6 HA SER 6 12.879 -2.718 -9.473 50 HB2 SER 6 1HB SER 6 14.912 -4.742 -8.960 51 HB3 SER 6 2HB SER 6 14.410 -3.359 -7.995 52 HG SER 6 HG SER 6 13.015 -4.558 -6.967 53 H PHE 7 H PHE 7 14.208 -1.660 -10.792 54 HA PHE 7 HA PHE 7 15.100 -3.146 -13.178 55 HB2 PHE 7 1HB PHE 7 14.443 -0.243 -12.713 56 HB3 PHE 7 2HB PHE 7 15.077 -0.892 -14.223 57 HD1 PHE 7 HD2 PHE 7 13.737 -3.483 -14.413 58 HD2 PHE 7 HD1 PHE 7 12.164 0.276 -13.109 59 HE1 PHE 7 HE2 PHE 7 11.473 -4.223 -15.050 60 HE2 PHE 7 HE1 PHE 7 9.906 -0.448 -13.789 61 HZ PHE 7 HZ PHE 7 9.552 -2.682 -14.752 62 H ALA 8 H ALA 8 17.149 -3.264 -13.758 63 HA ALA 8 HA ALA 8 19.267 -2.805 -12.014 64 HB1 ALA 8 1HB ALA 8 20.729 -3.067 -13.929 65 HB2 ALA 8 2HB ALA 8 19.401 -2.712 -15.035 66 HB3 ALA 8 3HB ALA 8 19.383 -4.198 -14.084 67 H ASN 9 H ASN 9 17.774 -0.744 -14.411 68 HA ASN 9 HA ASN 9 19.431 1.481 -13.466 69 HB2 ASN 9 1HB ASN 9 18.505 0.783 -16.187 70 HB3 ASN 9 2HB ASN 9 18.640 2.480 -15.759 71 HD21 ASN 9 2HD2 ASN 9 20.333 0.407 -17.438 72 HD22 ASN 9 1HD2 ASN 9 21.916 0.766 -16.947 73 HA PRO 10 HA PRO 10 15.663 3.398 -12.237 74 HB2 PRO 10 1HB PRO 10 16.477 5.966 -12.080 75 HB3 PRO 10 2HB PRO 10 17.101 4.732 -10.962 76 HG2 PRO 10 1HG PRO 10 18.335 5.764 -13.481 77 HG3 PRO 10 2HG PRO 10 19.062 5.584 -11.876 78 HD2 PRO 10 1HD PRO 10 19.449 3.741 -13.804 79 HD3 PRO 10 2HD PRO 10 19.298 3.279 -12.090 80 H ARG 11 H ARG 11 17.522 4.851 -14.922 81 HA ARG 11 HA ARG 11 15.391 6.272 -16.128 82 HB2 ARG 11 1HB ARG 11 17.090 5.063 -18.139 83 HB3 ARG 11 2HB ARG 11 16.970 6.757 -17.673 84 HG2 ARG 11 1HG ARG 11 18.538 6.352 -15.801 85 HG3 ARG 11 2HG ARG 11 18.677 4.662 -16.296 86 HD2 ARG 11 1HD ARG 11 20.118 5.170 -17.953 87 HD3 ARG 11 2HD ARG 11 19.092 6.475 -18.537 88 HE ARG 11 HE ARG 11 21.345 6.718 -16.718 89 HH11 ARG 11 1HH2 ARG 11 18.448 8.105 -18.014 90 HH12 ARG 11 2HH2 ARG 11 18.872 9.728 -17.591 91 HH21 ARG 11 1HH1 ARG 11 21.907 8.845 -16.162 92 HH22 ARG 11 2HH1 ARG 11 20.829 10.149 -16.542 93 H VAL 12 H VAL 12 16.699 3.062 -16.540 94 HA VAL 12 HA VAL 12 14.976 1.853 -18.334 95 HB VAL 12 HB VAL 12 16.519 0.981 -15.914 96 HG11 VAL 12 1HG1 VAL 12 15.792 -1.299 -16.086 97 HG12 VAL 12 2HG1 VAL 12 14.748 -0.915 -17.452 98 HG13 VAL 12 3HG1 VAL 12 14.369 -0.291 -15.851 99 HG21 VAL 12 3HG2 VAL 12 17.734 1.224 -17.974 100 HG22 VAL 12 1HG2 VAL 12 16.551 0.239 -18.837 101 HG23 VAL 12 2HG2 VAL 12 17.590 -0.501 -17.618 102 H ALA 13 H ALA 13 14.724 2.437 -14.913 103 HA ALA 13 HA ALA 13 12.187 1.240 -14.523 104 HB1 ALA 13 1HB ALA 13 14.090 1.766 -12.827 105 HB2 ALA 13 2HB ALA 13 12.430 1.988 -12.289 106 HB3 ALA 13 3HB ALA 13 13.393 3.380 -12.771 107 H GLN 14 H GLN 14 13.142 4.647 -14.279 108 HA GLN 14 HA GLN 14 10.626 5.762 -14.163 109 HB2 GLN 14 1HB GLN 14 13.092 6.843 -15.540 110 HB3 GLN 14 2HB GLN 14 11.652 7.791 -15.161 111 HG2 GLN 14 1HG GLN 14 12.051 7.744 -12.876 112 HG3 GLN 14 2HG GLN 14 12.934 6.223 -12.958 113 HE21 GLN 14 2HE2 GLN 14 15.104 6.411 -14.196 114 HE22 GLN 14 1HE2 GLN 14 16.013 7.815 -13.929 115 H ALA 15 H ALA 15 12.503 4.804 -17.012 116 HA ALA 15 HA ALA 15 10.701 5.709 -18.975 117 HB1 ALA 15 1HB ALA 15 12.279 3.165 -19.287 118 HB2 ALA 15 2HB ALA 15 13.091 4.730 -19.246 119 HB3 ALA 15 3HB ALA 15 11.900 4.388 -20.499 120 H PHE 16 H PHE 16 10.971 2.552 -17.343 121 HA PHE 16 HA PHE 16 8.804 1.325 -18.666 122 HB2 PHE 16 1HB PHE 16 10.370 0.000 -17.369 123 HB3 PHE 16 2HB PHE 16 9.881 0.818 -15.886 124 HD1 PHE 16 HD1 PHE 16 8.255 -0.897 -18.797 125 HD2 PHE 16 HD2 PHE 16 8.288 -0.266 -14.555 126 HE1 PHE 16 HE1 PHE 16 6.489 -2.613 -18.525 127 HE2 PHE 16 HE2 PHE 16 6.527 -1.985 -14.281 128 HZ PHE 16 HZ PHE 16 5.620 -3.154 -16.272 129 H VAL 17 H VAL 17 8.899 2.605 -15.347 130 HA VAL 17 HA VAL 17 6.147 2.447 -14.886 131 HB VAL 17 HB VAL 17 6.528 3.932 -13.038 132 HG11 VAL 17 1HG1 VAL 17 7.773 1.646 -13.238 133 HG12 VAL 17 2HG1 VAL 17 8.267 2.757 -11.963 134 HG13 VAL 17 3HG1 VAL 17 9.216 2.631 -13.444 135 HG21 VAL 17 3HG2 VAL 17 9.025 4.732 -14.534 136 HG22 VAL 17 1HG2 VAL 17 8.633 5.249 -12.899 137 HG23 VAL 17 2HG2 VAL 17 7.614 5.749 -14.245 138 H ASP 18 H ASP 18 8.123 5.018 -16.374 139 HA ASP 18 HA ASP 18 6.019 6.889 -16.681 140 HB2 ASP 18 1HB ASP 18 8.250 7.686 -17.107 141 HB3 ASP 18 2HB ASP 18 8.545 6.405 -18.281 142 H TYR 19 H TYR 19 7.297 4.245 -18.612 143 HA TYR 19 HA TYR 19 5.535 4.448 -20.808 144 HB2 TYR 19 1HB TYR 19 7.184 2.937 -21.341 145 HB3 TYR 19 2HB TYR 19 7.347 2.373 -19.682 146 HD1 TYR 19 HD1 TYR 19 5.177 2.234 -22.666 147 HD2 TYR 19 HD2 TYR 19 6.206 0.415 -18.920 148 HE1 TYR 19 HE1 TYR 19 3.682 0.343 -23.187 149 HE2 TYR 19 HE2 TYR 19 4.707 -1.487 -19.437 150 HH TYR 19 HH TYR 19 3.627 -2.218 -22.421 151 H MET 20 H MET 20 5.459 2.291 -17.958 152 HA MET 20 HA MET 20 2.921 1.198 -18.286 153 HB2 MET 20 1HB MET 20 4.309 1.991 -15.718 154 HB3 MET 20 2HB MET 20 2.910 0.929 -15.815 155 HG2 MET 20 1HG MET 20 4.684 -0.151 -17.660 156 HG3 MET 20 2HG MET 20 5.716 0.335 -16.320 157 HE1 MET 20 3HE MET 20 2.604 -1.413 -17.473 158 HE2 MET 20 1HE MET 20 1.887 -0.730 -16.016 159 HE3 MET 20 2HE MET 20 2.117 -2.465 -16.152 160 H ALA 21 H ALA 21 3.933 4.147 -16.651 161 HA ALA 21 HA ALA 21 1.419 5.085 -15.841 162 HB1 ALA 21 1HB ALA 21 3.917 6.599 -16.623 163 HB2 ALA 21 2HB ALA 21 3.504 6.035 -15.007 164 HB3 ALA 21 3HB ALA 21 2.543 7.297 -15.772 165 H THR 22 H THR 22 3.153 5.232 -18.883 166 HA THR 22 HA THR 22 1.456 7.086 -20.192 167 HB THR 22 HB THR 22 3.781 5.520 -20.745 168 HG1 THR 22 HG1 THR 22 3.426 7.745 -21.193 169 HG21 THR 22 3HG2 THR 22 1.595 5.161 -22.806 170 HG22 THR 22 1HG2 THR 22 2.315 3.890 -21.826 171 HG23 THR 22 2HG2 THR 22 3.290 4.733 -23.020 172 H GLN 23 H GLN 23 1.533 3.635 -19.625 173 HA GLN 23 HA GLN 23 -0.803 2.990 -21.179 174 HB2 GLN 23 1HB GLN 23 0.363 1.396 -18.913 175 HB3 GLN 23 2HB GLN 23 -0.638 0.813 -20.237 176 HG2 GLN 23 1HG GLN 23 2.089 2.053 -20.670 177 HG3 GLN 23 2HG GLN 23 1.853 0.326 -20.454 178 HE21 GLN 23 2HE2 GLN 23 1.857 -0.704 -22.445 179 HE22 GLN 23 1HE2 GLN 23 1.162 -0.079 -23.866 180 H GLY 24 H GLY 24 -0.362 4.819 -18.555 181 HA2 GLY 24 1HA GLY 24 -1.905 5.759 -17.112 182 HA3 GLY 24 2HA GLY 24 -3.101 4.588 -17.671 183 H VAL 25 H VAL 25 -0.201 3.169 -16.998 184 HA VAL 25 HA VAL 25 -1.128 2.085 -14.414 185 HB VAL 25 HB VAL 25 1.107 1.074 -16.163 186 HG11 VAL 25 1HG1 VAL 25 -0.471 0.138 -13.844 187 HG12 VAL 25 2HG1 VAL 25 1.219 -0.132 -14.242 188 HG13 VAL 25 3HG1 VAL 25 -0.036 -1.074 -15.045 189 HG21 VAL 25 3HG2 VAL 25 -1.765 0.121 -16.342 190 HG22 VAL 25 1HG2 VAL 25 -0.416 -0.283 -17.406 191 HG23 VAL 25 2HG2 VAL 25 -1.109 1.337 -17.439 192 H ILE 26 H ILE 26 -0.458 3.395 -12.920 193 HA ILE 26 HA ILE 26 2.000 4.817 -13.119 194 HB ILE 26 HB ILE 26 0.398 4.611 -10.599 195 HG12 ILE 26 1HG1 ILE 26 -0.784 6.704 -11.759 196 HG13 ILE 26 2HG1 ILE 26 -0.395 5.824 -13.235 197 HG21 ILE 26 1HG2 ILE 26 2.484 5.857 -10.601 198 HG22 ILE 26 2HG2 ILE 26 1.132 6.985 -10.497 199 HG23 ILE 26 3HG2 ILE 26 1.978 6.761 -12.031 200 HD11 ILE 26 3HD1 ILE 26 -2.650 5.383 -11.774 201 HD12 ILE 26 1HD1 ILE 26 -1.574 4.190 -11.064 202 HD13 ILE 26 2HD1 ILE 26 -1.902 4.159 -12.795 203 H LEU 27 H LEU 27 3.876 4.032 -12.710 204 HA LEU 27 HA LEU 27 4.218 2.136 -10.474 205 HB2 LEU 27 1HB LEU 27 5.566 2.300 -13.118 206 HB3 LEU 27 2HB LEU 27 6.564 1.898 -11.727 207 HG LEU 27 HG LEU 27 4.289 0.340 -11.402 208 HD11 LEU 27 1HD1 LEU 27 5.239 -0.073 -14.208 209 HD12 LEU 27 2HD1 LEU 27 4.000 1.138 -13.894 210 HD13 LEU 27 3HD1 LEU 27 3.710 -0.544 -13.474 211 HD21 LEU 27 3HD2 LEU 27 5.841 -1.478 -11.746 212 HD22 LEU 27 1HD2 LEU 27 6.771 -0.152 -11.049 213 HD23 LEU 27 2HD2 LEU 27 6.864 -0.478 -12.778 214 H THR 28 H THR 28 6.988 2.565 -10.237 215 HA THR 28 HA THR 28 7.827 5.212 -10.286 216 HB THR 28 HB THR 28 6.429 4.381 -7.738 217 HG1 THR 28 HG1 THR 28 5.548 5.760 -9.564 218 HG21 THR 28 3HG2 THR 28 8.637 6.413 -8.097 219 HG22 THR 28 1HG2 THR 28 8.569 5.078 -6.941 220 HG23 THR 28 2HG2 THR 28 7.501 6.470 -6.748 221 H ILE 29 H ILE 29 9.892 5.435 -9.095 222 HA ILE 29 HA ILE 29 11.153 2.803 -8.768 223 HB ILE 29 HB ILE 29 12.847 5.221 -8.684 224 HG12 ILE 29 1HG1 ILE 29 11.098 5.921 -10.321 225 HG13 ILE 29 2HG1 ILE 29 12.661 5.647 -11.087 226 HG21 ILE 29 1HG2 ILE 29 13.833 3.014 -8.832 227 HG22 ILE 29 2HG2 ILE 29 14.088 3.829 -10.378 228 HG23 ILE 29 3HG2 ILE 29 12.824 2.608 -10.219 229 HD11 ILE 29 3HD1 ILE 29 11.381 3.141 -11.126 230 HD12 ILE 29 1HD1 ILE 29 11.647 4.215 -12.493 231 HD13 ILE 29 2HD1 ILE 29 10.144 4.305 -11.591 232 H GLN 30 H GLN 30 11.721 2.070 -6.837 233 HA GLN 30 HA GLN 30 11.482 3.891 -4.539 234 HB2 GLN 30 1HB GLN 30 10.972 1.040 -4.965 235 HB3 GLN 30 2HB GLN 30 11.948 1.341 -3.533 236 HG2 GLN 30 1HG GLN 30 9.318 2.689 -4.166 237 HG3 GLN 30 2HG GLN 30 9.544 1.389 -2.999 238 HE21 GLN 30 2HE2 GLN 30 8.641 4.186 -2.432 239 HE22 GLN 30 1HE2 GLN 30 9.774 4.822 -1.342 240 H GLN 31 H GLN 31 13.268 4.668 -3.593 241 HA GLN 31 HA GLN 31 15.833 4.248 -4.596 242 HB2 GLN 31 1HB GLN 31 14.960 6.153 -3.104 243 HB3 GLN 31 2HB GLN 31 15.340 5.094 -1.748 244 HG2 GLN 31 1HG GLN 31 17.424 5.992 -1.899 245 HG3 GLN 31 2HG GLN 31 17.622 4.887 -3.254 246 HE21 GLN 31 2HE2 GLN 31 15.622 7.869 -3.140 247 HE22 GLN 31 1HE2 GLN 31 16.461 8.653 -4.391 248 H HIS 32 H HIS 32 16.763 2.310 -4.656 249 HA HIS 32 HA HIS 32 17.451 0.972 -2.161 250 HB2 HIS 32 1HB HIS 32 15.522 -0.139 -4.141 251 HB3 HIS 32 2HB HIS 32 16.758 -1.244 -3.554 252 HD1 HIS 32 HD1 HIS 32 13.946 -1.879 -2.774 253 HD2 HIS 32 HD2 HIS 32 16.345 0.665 -0.479 254 HE1 HIS 32 HE1 HIS 32 12.963 -1.856 -0.423 255 H ASN 33 H ASN 33 18.782 -1.157 -2.919 256 HA ASN 33 HA ASN 33 21.093 -0.248 -4.218 257 HB2 ASN 33 1HB ASN 33 21.225 -2.278 -2.929 258 HB3 ASN 33 2HB ASN 33 19.998 -3.059 -3.923 259 HD21 ASN 33 2HD2 ASN 33 23.065 -1.265 -4.630 260 HD22 ASN 33 1HD2 ASN 33 23.671 -2.448 -5.687 261 H GLN 34 H GLN 34 18.159 -1.687 -5.424 262 HA GLN 34 HA GLN 34 19.059 -1.169 -8.195 263 HB2 GLN 34 1HB GLN 34 17.015 -3.259 -7.400 264 HB3 GLN 34 2HB GLN 34 17.833 -3.072 -8.951 265 HG2 GLN 34 1HG GLN 34 19.494 -3.533 -6.497 266 HG3 GLN 34 2HG GLN 34 18.637 -4.896 -7.209 267 HE21 GLN 34 2HE2 GLN 34 20.487 -5.963 -8.108 268 HE22 GLN 34 1HE2 GLN 34 21.418 -5.278 -9.348 269 H SER 35 H SER 35 17.367 -0.429 -9.618 270 HA SER 35 HA SER 35 15.614 1.486 -8.463 271 HB2 SER 35 1HB SER 35 15.062 0.488 -11.181 272 HB3 SER 35 2HB SER 35 15.225 2.135 -10.596 273 HG SER 35 HG SER 35 17.182 0.281 -11.385 274 H ASP 36 H ASP 36 14.597 -0.031 -6.872 275 HA ASP 36 HA ASP 36 12.816 -2.076 -7.669 276 HB2 ASP 36 1HB ASP 36 13.056 -0.344 -5.257 277 HB3 ASP 36 2HB ASP 36 11.499 -1.109 -5.545 278 H VAL 37 H VAL 37 10.967 -2.008 -8.666 279 HA VAL 37 HA VAL 37 9.826 0.645 -9.178 280 HB VAL 37 HB VAL 37 8.929 -1.506 -10.925 281 HG11 VAL 37 1HG1 VAL 37 9.228 1.251 -10.982 282 HG12 VAL 37 2HG1 VAL 37 8.883 0.239 -12.380 283 HG13 VAL 37 3HG1 VAL 37 10.545 0.695 -12.009 284 HG21 VAL 37 3HG2 VAL 37 10.991 -2.031 -11.978 285 HG22 VAL 37 1HG2 VAL 37 11.346 -2.171 -10.275 286 HG23 VAL 37 2HG2 VAL 37 11.846 -0.739 -11.150 287 H TRP 38 H TRP 38 8.165 1.066 -8.009 288 HA TRP 38 HA TRP 38 6.444 -1.096 -7.027 289 HB2 TRP 38 1HB TRP 38 6.909 1.776 -6.253 290 HB3 TRP 38 2HB TRP 38 5.457 0.925 -5.732 291 HD1 TRP 38 HD1 TRP 38 9.207 -0.124 -5.862 292 HE1 TRP 38 HE1 TRP 38 9.768 -1.139 -3.549 293 HE3 TRP 38 HE3 TRP 38 4.726 0.457 -3.606 294 HZ2 TRP 38 HZ2 TRP 38 8.427 -1.639 -1.048 295 HZ3 TRP 38 HZ3 TRP 38 4.360 -0.262 -1.305 296 HH2 TRP 38 HH2 TRP 38 6.187 -1.324 0.009 297 H LEU 39 H LEU 39 4.155 -0.909 -7.160 298 HA LEU 39 HA LEU 39 3.250 0.621 -9.525 299 HB2 LEU 39 1HB LEU 39 2.838 -1.723 -9.872 300 HB3 LEU 39 2HB LEU 39 2.100 -1.890 -8.283 301 HG LEU 39 HG LEU 39 0.365 -0.212 -9.018 302 HD11 LEU 39 1HD1 LEU 39 0.590 -0.581 -11.819 303 HD12 LEU 39 2HD1 LEU 39 2.167 -0.037 -11.261 304 HD13 LEU 39 3HD1 LEU 39 0.733 0.925 -10.925 305 HD21 LEU 39 3HD2 LEU 39 0.695 -2.727 -10.645 306 HD22 LEU 39 1HD2 LEU 39 -0.809 -1.837 -10.461 307 HD23 LEU 39 2HD2 LEU 39 -0.076 -2.600 -9.059 308 H ALA 40 H ALA 40 1.674 2.030 -9.324 309 HA ALA 40 HA ALA 40 0.675 2.550 -6.599 310 HB1 ALA 40 1HB ALA 40 -0.095 4.599 -8.391 311 HB2 ALA 40 2HB ALA 40 1.590 4.217 -8.746 312 HB3 ALA 40 3HB ALA 40 1.118 4.683 -7.113 313 H ASP 41 H ASP 41 -0.215 2.129 -9.950 314 HA ASP 41 HA ASP 41 -3.060 2.158 -9.528 315 HB2 ASP 41 1HB ASP 41 -1.645 2.498 -11.743 316 HB3 ASP 41 2HB ASP 41 -1.745 0.752 -11.828 317 H GLU 42 H GLU 42 -2.325 0.534 -7.565 318 HA GLU 42 HA GLU 42 -1.612 -2.025 -7.848 319 HB2 GLU 42 1HB GLU 42 -3.738 -0.811 -6.140 320 HB3 GLU 42 2HB GLU 42 -3.429 -2.550 -6.076 321 HG2 GLU 42 1HG GLU 42 -1.287 -2.296 -5.275 322 HG3 GLU 42 2HG GLU 42 -1.061 -0.727 -6.041 323 H SER 43 H SER 43 -4.654 -0.752 -8.995 324 HA SER 43 HA SER 43 -6.058 -3.100 -9.567 325 HB2 SER 43 1HB SER 43 -6.078 -1.179 -11.756 326 HB3 SER 43 2HB SER 43 -7.384 -1.641 -10.670 327 HG SER 43 HG SER 43 -5.549 0.461 -10.532 328 H GLN 44 H GLN 44 -3.241 -1.691 -10.871 329 HA GLN 44 HA GLN 44 -3.084 -3.410 -13.217 330 HB2 GLN 44 1HB GLN 44 -1.428 -1.099 -12.217 331 HB3 GLN 44 2HB GLN 44 -1.134 -1.948 -13.714 332 HG2 GLN 44 1HG GLN 44 -3.709 -0.541 -13.021 333 HG3 GLN 44 2HG GLN 44 -2.436 0.156 -14.013 334 HE21 GLN 44 2HE2 GLN 44 -4.156 0.257 -15.747 335 HE22 GLN 44 1HE2 GLN 44 -4.485 -1.142 -16.652 336 H ALA 45 H ALA 45 -2.109 -3.523 -10.004 337 HA ALA 45 HA ALA 45 0.471 -4.298 -9.777 338 HB1 ALA 45 1HB ALA 45 -1.966 -5.688 -8.700 339 HB2 ALA 45 2HB ALA 45 -0.986 -4.469 -7.899 340 HB3 ALA 45 3HB ALA 45 -0.326 -6.075 -8.190 341 H GLU 46 H GLU 46 -1.985 -6.692 -10.318 342 HA GLU 46 HA GLU 46 -0.468 -8.846 -11.144 343 HB2 GLU 46 1HB GLU 46 -2.579 -9.449 -12.399 344 HB3 GLU 46 2HB GLU 46 -2.823 -9.037 -10.704 345 HG2 GLU 46 1HG GLU 46 -2.994 -6.564 -11.897 346 HG3 GLU 46 2HG GLU 46 -3.710 -7.594 -13.132 347 H ARG 47 H ARG 47 -1.822 -6.210 -12.987 348 HA ARG 47 HA ARG 47 -1.055 -6.968 -15.565 349 HB2 ARG 47 1HB ARG 47 -2.539 -4.976 -14.563 350 HB3 ARG 47 2HB ARG 47 -1.035 -4.100 -14.808 351 HG2 ARG 47 1HG ARG 47 -1.405 -5.641 -17.127 352 HG3 ARG 47 2HG ARG 47 -2.977 -4.915 -16.755 353 HD2 ARG 47 1HD ARG 47 -1.370 -2.837 -16.196 354 HD3 ARG 47 2HD ARG 47 -0.403 -3.616 -17.444 355 HE ARG 47 HE ARG 47 -2.711 -2.075 -17.901 356 HH11 ARG 47 1HH2 ARG 47 -1.204 -5.054 -18.890 357 HH12 ARG 47 2HH2 ARG 47 -2.171 -5.210 -20.322 358 HH21 ARG 47 1HH1 ARG 47 -3.955 -2.285 -19.766 359 HH22 ARG 47 2HH1 ARG 47 -3.733 -3.652 -20.812 360 H VAL 48 H VAL 48 0.309 -4.359 -13.733 361 HA VAL 48 HA VAL 48 2.671 -4.010 -15.051 362 HB VAL 48 HB VAL 48 2.213 -3.872 -12.065 363 HG11 VAL 48 1HG1 VAL 48 4.121 -2.562 -13.993 364 HG12 VAL 48 2HG1 VAL 48 4.530 -3.627 -12.663 365 HG13 VAL 48 3HG1 VAL 48 3.889 -2.024 -12.335 366 HG21 VAL 48 3HG2 VAL 48 1.865 -1.385 -13.144 367 HG22 VAL 48 1HG2 VAL 48 0.553 -2.491 -12.756 368 HG23 VAL 48 2HG2 VAL 48 1.180 -2.414 -14.399 369 H ARG 49 H ARG 49 2.251 -5.982 -12.138 370 HA ARG 49 HA ARG 49 4.728 -7.162 -12.079 371 HB2 ARG 49 1HB ARG 49 2.037 -7.984 -11.168 372 HB3 ARG 49 2HB ARG 49 3.175 -9.304 -11.405 373 HG2 ARG 49 1HG ARG 49 4.821 -7.780 -10.050 374 HG3 ARG 49 2HG ARG 49 3.339 -6.996 -9.498 375 HD2 ARG 49 1HD ARG 49 2.786 -8.735 -8.171 376 HD3 ARG 49 2HD ARG 49 3.117 -9.904 -9.445 377 HE ARG 49 HE ARG 49 5.563 -8.900 -8.380 378 HH11 ARG 49 1HH2 ARG 49 2.867 -10.980 -7.663 379 HH12 ARG 49 2HH2 ARG 49 3.772 -12.017 -6.612 380 HH21 ARG 49 1HH1 ARG 49 6.758 -10.283 -7.034 381 HH22 ARG 49 2HH1 ARG 49 5.985 -11.621 -6.257 382 H ALA 50 H ALA 50 1.994 -7.856 -14.130 383 HA ALA 50 HA ALA 50 3.114 -10.212 -15.374 384 HB1 ALA 50 1HB ALA 50 1.167 -9.358 -17.078 385 HB2 ALA 50 2HB ALA 50 0.638 -8.581 -15.597 386 HB3 ALA 50 3HB ALA 50 0.835 -10.325 -15.647 387 H GLU 51 H GLU 51 2.418 -6.888 -16.318 388 HA GLU 51 HA GLU 51 3.374 -6.756 -18.854 389 HB2 GLU 51 1HB GLU 51 3.768 -4.718 -16.669 390 HB3 GLU 51 2HB GLU 51 3.981 -4.399 -18.385 391 HG2 GLU 51 1HG GLU 51 1.431 -5.157 -16.953 392 HG3 GLU 51 2HG GLU 51 1.755 -3.693 -17.866 393 H LEU 52 H LEU 52 5.382 -6.401 -15.916 394 HA LEU 52 HA LEU 52 7.742 -5.842 -16.997 395 HB2 LEU 52 1HB LEU 52 7.123 -7.824 -14.874 396 HB3 LEU 52 2HB LEU 52 8.774 -7.629 -15.462 397 HG LEU 52 HG LEU 52 8.065 -6.214 -13.449 398 HD11 LEU 52 1HD1 LEU 52 9.847 -5.878 -15.556 399 HD12 LEU 52 2HD1 LEU 52 9.889 -5.026 -14.023 400 HD13 LEU 52 3HD1 LEU 52 9.067 -4.310 -15.405 401 HD21 LEU 52 3HD2 LEU 52 7.132 -3.963 -14.277 402 HD22 LEU 52 1HD2 LEU 52 5.990 -5.282 -14.069 403 HD23 LEU 52 2HD2 LEU 52 6.559 -4.852 -15.679 404 H ALA 53 H ALA 53 7.222 -9.299 -16.473 405 HA ALA 53 HA ALA 53 9.074 -10.322 -18.157 406 HB1 ALA 53 1HB ALA 53 7.981 -12.073 -17.231 407 HB2 ALA 53 2HB ALA 53 7.038 -12.040 -18.722 408 HB3 ALA 53 3HB ALA 53 6.421 -11.253 -17.269 409 H ARG 54 H ARG 54 5.994 -8.914 -19.160 410 HA ARG 54 HA ARG 54 6.385 -9.678 -21.952 411 HB2 ARG 54 1HB ARG 54 4.464 -7.570 -20.972 412 HB3 ARG 54 2HB ARG 54 4.319 -8.612 -22.385 413 HG2 ARG 54 1HG ARG 54 3.844 -10.534 -21.050 414 HG3 ARG 54 2HG ARG 54 4.364 -9.721 -19.574 415 HD2 ARG 54 1HD ARG 54 1.999 -9.652 -19.484 416 HD3 ARG 54 2HD ARG 54 2.464 -8.046 -20.030 417 HE ARG 54 HE ARG 54 1.439 -10.201 -21.798 418 HH11 ARG 54 1HH2 ARG 54 1.972 -6.814 -21.051 419 HH12 ARG 54 2HH2 ARG 54 1.113 -6.264 -22.453 420 HH21 ARG 54 1HH1 ARG 54 0.361 -9.413 -23.630 421 HH22 ARG 54 2HH1 ARG 54 0.211 -7.706 -23.881 422 H PHE 55 H PHE 55 6.741 -6.999 -19.862 423 HA PHE 55 HA PHE 55 7.463 -4.993 -21.721 424 HB2 PHE 55 1HB PHE 55 6.725 -4.097 -19.758 425 HB3 PHE 55 2HB PHE 55 7.353 -5.425 -18.808 426 HD1 PHE 55 HD1 PHE 55 8.578 -2.629 -20.904 427 HD2 PHE 55 HD2 PHE 55 9.095 -5.008 -17.407 428 HE1 PHE 55 HE1 PHE 55 10.542 -1.259 -20.245 429 HE2 PHE 55 HE2 PHE 55 11.037 -3.673 -16.738 430 HZ PHE 55 HZ PHE 55 11.780 -1.768 -18.160 431 H LEU 56 H LEU 56 9.105 -7.604 -20.210 432 HA LEU 56 HA LEU 56 11.754 -6.501 -20.561 433 HB2 LEU 56 1HB LEU 56 11.028 -9.380 -20.021 434 HB3 LEU 56 2HB LEU 56 12.515 -8.537 -19.602 435 HG LEU 56 HG LEU 56 9.866 -8.462 -18.293 436 HD11 LEU 56 1HD1 LEU 56 11.481 -9.654 -17.133 437 HD12 LEU 56 2HD1 LEU 56 11.471 -8.083 -16.334 438 HD13 LEU 56 3HD1 LEU 56 12.741 -8.478 -17.493 439 HD21 LEU 56 3HD2 LEU 56 10.712 -6.237 -17.229 440 HD22 LEU 56 1HD2 LEU 56 9.890 -6.178 -18.776 441 HD23 LEU 56 2HD2 LEU 56 11.643 -6.077 -18.713 442 H GLU 57 H GLU 57 9.982 -9.254 -21.962 443 HA GLU 57 HA GLU 57 11.905 -9.416 -24.134 444 HB2 GLU 57 1HB GLU 57 9.844 -11.027 -24.904 445 HB3 GLU 57 2HB GLU 57 11.190 -11.560 -23.904 446 HG2 GLU 57 1HG GLU 57 9.925 -11.338 -21.895 447 HG3 GLU 57 2HG GLU 57 8.696 -10.357 -22.698 448 H ASN 58 H ASN 58 9.113 -7.598 -23.457 449 HA ASN 58 HA ASN 58 9.047 -6.736 -26.244 450 HB2 ASN 58 1HB ASN 58 7.237 -8.720 -25.276 451 HB3 ASN 58 2HB ASN 58 6.331 -7.263 -25.667 452 HD21 ASN 58 2HD2 ASN 58 9.230 -8.797 -27.173 453 HD22 ASN 58 1HD2 ASN 58 8.556 -8.861 -28.734 454 HA PRO 59 HA PRO 59 7.746 -3.570 -22.994 455 HB2 PRO 59 1HB PRO 59 9.808 -1.802 -23.607 456 HB3 PRO 59 2HB PRO 59 9.868 -2.971 -22.282 457 HG2 PRO 59 1HG PRO 59 11.065 -3.118 -24.988 458 HG3 PRO 59 2HG PRO 59 11.701 -3.690 -23.436 459 HD2 PRO 59 1HD PRO 59 10.607 -5.377 -25.265 460 HD3 PRO 59 2HD PRO 59 10.506 -5.672 -23.520 461 H ALA 60 H ALA 60 8.354 -0.926 -23.964 462 HA ALA 60 HA ALA 60 7.699 0.634 -25.510 463 HB1 ALA 60 1HB ALA 60 7.781 0.024 -27.848 464 HB2 ALA 60 2HB ALA 60 7.648 -1.688 -27.453 465 HB3 ALA 60 3HB ALA 60 9.103 -0.794 -27.014 466 H ASP 61 H ASP 61 5.929 -2.388 -26.216 467 HA ASP 61 HA ASP 61 3.458 -0.788 -26.414 468 HB2 ASP 61 1HB ASP 61 4.287 -2.380 -28.291 469 HB3 ASP 61 2HB ASP 61 3.694 -3.668 -27.242 470 H LEU 62 H LEU 62 1.641 -2.803 -26.092 471 HA LEU 62 HA LEU 62 1.885 -3.537 -23.241 472 HB2 LEU 62 1HB LEU 62 0.195 -1.720 -23.832 473 HB3 LEU 62 2HB LEU 62 -0.678 -2.947 -24.743 474 HG LEU 62 HG LEU 62 -0.859 -4.319 -22.681 475 HD11 LEU 62 1HD1 LEU 62 -0.362 -2.902 -20.526 476 HD12 LEU 62 2HD1 LEU 62 0.725 -2.009 -21.585 477 HD13 LEU 62 3HD1 LEU 62 0.967 -3.735 -21.330 478 HD21 LEU 62 3HD2 LEU 62 -2.825 -3.205 -22.608 479 HD22 LEU 62 1HD2 LEU 62 -2.066 -1.713 -23.169 480 HD23 LEU 62 2HD2 LEU 62 -2.064 -2.107 -21.451 481 H ASP 63 H ASP 63 1.327 -4.478 -26.490 482 HA ASP 63 HA ASP 63 1.176 -7.274 -25.714 483 HB2 ASP 63 1HB ASP 63 -1.224 -5.973 -26.075 484 HB3 ASP 63 2HB ASP 63 -0.919 -6.652 -27.671 Start of MODEL 2 1 H1 MET 1 H MET 1 -0.670 1.115 -3.097 2 HA MET 1 HA MET 1 1.450 1.854 -4.113 3 HB2 MET 1 1HB MET 1 2.203 1.914 -1.189 4 HB3 MET 1 2HB MET 1 3.416 1.620 -2.431 5 HG2 MET 1 1HG MET 1 1.725 4.079 -2.013 6 HG3 MET 1 2HG MET 1 3.482 3.965 -2.137 7 HE1 MET 1 3HE MET 1 3.579 1.961 -5.177 8 HE2 MET 1 1HE MET 1 4.543 2.779 -3.943 9 HE3 MET 1 2HE MET 1 4.426 3.452 -5.567 10 H LEU 2 H LEU 2 2.608 0.142 -4.935 11 HA LEU 2 HA LEU 2 2.479 -2.443 -3.534 12 HB2 LEU 2 1HB LEU 2 0.546 -1.990 -5.141 13 HB3 LEU 2 2HB LEU 2 1.735 -2.206 -6.409 14 HG LEU 2 HG LEU 2 2.154 -4.296 -4.570 15 HD11 LEU 2 1HD1 LEU 2 0.081 -5.180 -4.075 16 HD12 LEU 2 2HD1 LEU 2 -0.701 -4.417 -5.457 17 HD13 LEU 2 3HD1 LEU 2 -0.319 -3.469 -4.023 18 HD21 LEU 2 3HD2 LEU 2 1.240 -5.576 -6.612 19 HD22 LEU 2 1HD2 LEU 2 2.617 -4.512 -6.886 20 HD23 LEU 2 2HD2 LEU 2 0.997 -3.992 -7.346 21 H MET 3 H MET 3 4.139 -3.817 -4.014 22 HA MET 3 HA MET 3 6.396 -2.685 -5.458 23 HB2 MET 3 1HB MET 3 6.254 -4.239 -3.221 24 HB3 MET 3 2HB MET 3 6.568 -5.464 -4.450 25 HG2 MET 3 1HG MET 3 8.249 -3.128 -4.874 26 HG3 MET 3 2HG MET 3 8.464 -3.775 -3.248 27 HE1 MET 3 3HE MET 3 9.960 -3.320 -5.844 28 HE2 MET 3 1HE MET 3 9.846 -4.596 -7.067 29 HE3 MET 3 2HE MET 3 11.156 -4.606 -5.897 30 H ILE 4 H ILE 4 7.031 -3.295 -7.477 31 HA ILE 4 HA ILE 4 5.416 -5.393 -8.806 32 HB ILE 4 HB ILE 4 6.769 -2.917 -9.886 33 HG12 ILE 4 1HG1 ILE 4 4.546 -2.625 -8.838 34 HG13 ILE 4 2HG1 ILE 4 4.515 -2.305 -10.569 35 HG21 ILE 4 1HG2 ILE 4 7.001 -5.045 -11.345 36 HG22 ILE 4 2HG2 ILE 4 6.336 -3.603 -12.097 37 HG23 ILE 4 3HG2 ILE 4 5.263 -4.904 -11.583 38 HD11 ILE 4 3HD1 ILE 4 3.864 -4.849 -10.731 39 HD12 ILE 4 1HD1 ILE 4 2.636 -3.657 -10.318 40 HD13 ILE 4 2HD1 ILE 4 3.375 -4.627 -9.051 41 H THR 5 H THR 5 8.601 -3.827 -9.041 42 HA THR 5 HA THR 5 10.049 -6.293 -9.041 43 HB THR 5 HB THR 5 8.887 -6.181 -11.403 44 HG1 THR 5 HG1 THR 5 10.521 -7.574 -11.361 45 HG21 THR 5 3HG2 THR 5 11.005 -4.532 -12.431 46 HG22 THR 5 1HG2 THR 5 10.045 -3.632 -11.261 47 HG23 THR 5 2HG2 THR 5 9.256 -4.389 -12.637 48 H SER 6 H SER 6 12.232 -5.505 -10.428 49 HA SER 6 HA SER 6 12.820 -2.785 -9.569 50 HB2 SER 6 1HB SER 6 15.150 -3.845 -8.915 51 HB3 SER 6 2HB SER 6 13.836 -3.666 -7.760 52 HG SER 6 HG SER 6 14.861 -5.806 -7.897 53 H PHE 7 H PHE 7 14.233 -1.756 -10.877 54 HA PHE 7 HA PHE 7 14.834 -3.171 -13.399 55 HB2 PHE 7 1HB PHE 7 14.275 -0.335 -12.630 56 HB3 PHE 7 2HB PHE 7 15.081 -0.724 -14.135 57 HD1 PHE 7 HD1 PHE 7 12.316 -2.580 -12.349 58 HD2 PHE 7 HD2 PHE 7 13.473 -0.343 -15.813 59 HE1 PHE 7 HE1 PHE 7 10.143 -3.071 -13.421 60 HE2 PHE 7 HE2 PHE 7 11.328 -0.899 -16.859 61 HZ PHE 7 HZ PHE 7 9.658 -2.239 -15.675 62 H ALA 8 H ALA 8 16.863 -3.453 -14.070 63 HA ALA 8 HA ALA 8 19.072 -3.284 -12.420 64 HB1 ALA 8 1HB ALA 8 20.402 -3.685 -14.330 65 HB2 ALA 8 2HB ALA 8 19.297 -2.810 -15.391 66 HB3 ALA 8 3HB ALA 8 18.837 -4.387 -14.749 67 H ASN 9 H ASN 9 17.522 -0.869 -14.332 68 HA ASN 9 HA ASN 9 19.381 1.173 -13.290 69 HB2 ASN 9 1HB ASN 9 18.656 0.558 -16.067 70 HB3 ASN 9 2HB ASN 9 18.434 2.247 -15.639 71 HD21 ASN 9 2HD2 ASN 9 20.484 1.200 -17.459 72 HD22 ASN 9 1HD2 ASN 9 21.985 1.563 -16.757 73 HA PRO 10 HA PRO 10 15.602 3.196 -12.115 74 HB2 PRO 10 1HB PRO 10 16.488 5.754 -11.934 75 HB3 PRO 10 2HB PRO 10 17.008 4.512 -10.774 76 HG2 PRO 10 1HG PRO 10 18.412 5.480 -13.230 77 HG3 PRO 10 2HG PRO 10 19.053 5.274 -11.594 78 HD2 PRO 10 1HD PRO 10 19.476 3.418 -13.484 79 HD3 PRO 10 2HD PRO 10 19.192 2.958 -11.788 80 H ARG 11 H ARG 11 17.593 4.243 -14.762 81 HA ARG 11 HA ARG 11 15.860 6.023 -16.082 82 HB2 ARG 11 1HB ARG 11 17.684 4.187 -17.607 83 HB3 ARG 11 2HB ARG 11 17.331 5.893 -17.883 84 HG2 ARG 11 1HG ARG 11 18.566 6.470 -15.807 85 HG3 ARG 11 2HG ARG 11 18.961 4.767 -15.576 86 HD2 ARG 11 1HD ARG 11 19.897 4.948 -18.027 87 HD3 ARG 11 2HD ARG 11 19.953 6.671 -17.665 88 HE ARG 11 HE ARG 11 21.171 5.505 -15.499 89 HH11 ARG 11 1HH2 ARG 11 21.577 5.356 -18.940 90 HH12 ARG 11 2HH2 ARG 11 23.286 5.087 -18.862 91 HH21 ARG 11 1HH1 ARG 11 23.420 5.125 -15.404 92 HH22 ARG 11 2HH1 ARG 11 24.325 4.953 -16.871 93 H VAL 12 H VAL 12 16.504 2.568 -16.720 94 HA VAL 12 HA VAL 12 14.406 2.179 -18.544 95 HB VAL 12 HB VAL 12 14.625 -0.209 -18.029 96 HG11 VAL 12 1HG1 VAL 12 16.950 -0.507 -18.534 97 HG12 VAL 12 2HG1 VAL 12 17.349 1.073 -17.856 98 HG13 VAL 12 3HG1 VAL 12 16.410 0.964 -19.346 99 HG21 VAL 12 3HG2 VAL 12 15.401 -1.056 -16.069 100 HG22 VAL 12 1HG2 VAL 12 15.073 0.553 -15.441 101 HG23 VAL 12 2HG2 VAL 12 16.696 0.131 -15.958 102 H ALA 13 H ALA 13 14.580 2.168 -15.067 103 HA ALA 13 HA ALA 13 12.054 1.119 -14.449 104 HB1 ALA 13 1HB ALA 13 14.169 1.845 -12.974 105 HB2 ALA 13 2HB ALA 13 12.552 1.746 -12.285 106 HB3 ALA 13 3HB ALA 13 13.208 3.306 -12.772 107 H GLN 14 H GLN 14 13.133 4.496 -14.388 108 HA GLN 14 HA GLN 14 10.650 5.716 -14.174 109 HB2 GLN 14 1HB GLN 14 13.146 6.691 -15.566 110 HB3 GLN 14 2HB GLN 14 11.746 7.698 -15.203 111 HG2 GLN 14 1HG GLN 14 12.123 7.647 -12.917 112 HG3 GLN 14 2HG GLN 14 12.977 6.110 -12.990 113 HE21 GLN 14 2HE2 GLN 14 15.138 6.260 -14.308 114 HE22 GLN 14 1HE2 GLN 14 16.076 7.652 -14.050 115 H ALA 15 H ALA 15 12.487 4.933 -17.128 116 HA ALA 15 HA ALA 15 10.624 5.905 -18.984 117 HB1 ALA 15 1HB ALA 15 12.254 3.410 -19.449 118 HB2 ALA 15 2HB ALA 15 13.003 5.005 -19.403 119 HB3 ALA 15 3HB ALA 15 11.777 4.644 -20.615 120 H PHE 16 H PHE 16 10.869 2.749 -17.393 121 HA PHE 16 HA PHE 16 8.711 1.522 -18.778 122 HB2 PHE 16 1HB PHE 16 10.309 0.183 -17.629 123 HB3 PHE 16 2HB PHE 16 9.975 0.963 -16.091 124 HD1 PHE 16 HD1 PHE 16 8.251 -0.953 -18.817 125 HD2 PHE 16 HD2 PHE 16 8.409 0.037 -14.640 126 HE1 PHE 16 HE1 PHE 16 6.557 -2.700 -18.337 127 HE2 PHE 16 HE2 PHE 16 6.719 -1.715 -14.166 128 HZ PHE 16 HZ PHE 16 5.784 -3.074 -16.013 129 H VAL 17 H VAL 17 8.889 2.685 -15.409 130 HA VAL 17 HA VAL 17 6.164 2.489 -14.888 131 HB VAL 17 HB VAL 17 6.535 4.046 -13.070 132 HG11 VAL 17 1HG1 VAL 17 7.810 1.723 -13.322 133 HG12 VAL 17 2HG1 VAL 17 8.158 2.795 -11.962 134 HG13 VAL 17 3HG1 VAL 17 9.231 2.766 -13.355 135 HG21 VAL 17 3HG2 VAL 17 8.637 5.350 -12.957 136 HG22 VAL 17 1HG2 VAL 17 7.657 5.810 -14.346 137 HG23 VAL 17 2HG2 VAL 17 9.055 4.765 -14.560 138 H ASP 18 H ASP 18 8.050 5.017 -16.487 139 HA ASP 18 HA ASP 18 5.943 6.888 -16.764 140 HB2 ASP 18 1HB ASP 18 8.056 7.781 -17.291 141 HB3 ASP 18 2HB ASP 18 8.501 6.395 -18.281 142 H TYR 19 H TYR 19 7.177 4.247 -18.767 143 HA TYR 19 HA TYR 19 5.346 4.451 -20.900 144 HB2 TYR 19 1HB TYR 19 6.840 2.841 -21.529 145 HB3 TYR 19 2HB TYR 19 7.209 2.409 -19.861 146 HD1 TYR 19 HD1 TYR 19 4.435 2.200 -22.341 147 HD2 TYR 19 HD2 TYR 19 6.421 0.330 -19.029 148 HE1 TYR 19 HE1 TYR 19 2.896 0.276 -22.513 149 HE2 TYR 19 HE2 TYR 19 4.880 -1.613 -19.211 150 HH TYR 19 HH TYR 19 2.824 -2.271 -20.122 151 H MET 20 H MET 20 5.310 2.353 -18.022 152 HA MET 20 HA MET 20 2.744 1.294 -18.287 153 HB2 MET 20 1HB MET 20 4.136 2.106 -15.726 154 HB3 MET 20 2HB MET 20 2.815 0.953 -15.862 155 HG2 MET 20 1HG MET 20 4.708 0.050 -17.704 156 HG3 MET 20 2HG MET 20 5.663 0.544 -16.311 157 HE1 MET 20 3HE MET 20 2.597 -1.122 -17.561 158 HE2 MET 20 1HE MET 20 1.853 -0.804 -15.994 159 HE3 MET 20 2HE MET 20 2.238 -2.450 -16.470 160 H ALA 21 H ALA 21 3.852 4.214 -16.652 161 HA ALA 21 HA ALA 21 1.372 5.222 -15.825 162 HB1 ALA 21 1HB ALA 21 3.501 6.117 -15.021 163 HB2 ALA 21 2HB ALA 21 2.567 7.406 -15.782 164 HB3 ALA 21 3HB ALA 21 3.905 6.659 -16.648 165 H THR 22 H THR 22 3.041 5.245 -18.900 166 HA THR 22 HA THR 22 1.398 7.155 -20.204 167 HB THR 22 HB THR 22 3.659 5.497 -20.751 168 HG1 THR 22 HG1 THR 22 2.380 7.367 -22.461 169 HG21 THR 22 3HG2 THR 22 2.044 3.953 -21.805 170 HG22 THR 22 1HG2 THR 22 3.176 4.650 -22.958 171 HG23 THR 22 2HG2 THR 22 1.523 5.257 -22.870 172 H GLN 23 H GLN 23 1.365 3.736 -19.580 173 HA GLN 23 HA GLN 23 -0.972 3.065 -21.117 174 HB2 GLN 23 1HB GLN 23 0.961 1.562 -20.080 175 HB3 GLN 23 2HB GLN 23 -0.148 1.524 -18.716 176 HG2 GLN 23 1HG GLN 23 -0.644 -0.365 -20.157 177 HG3 GLN 23 2HG GLN 23 -1.970 0.790 -20.255 178 HE21 GLN 23 2HE2 GLN 23 1.098 1.461 -21.884 179 HE22 GLN 23 1HE2 GLN 23 0.506 1.238 -23.456 180 H GLY 24 H GLY 24 -0.384 4.866 -18.434 181 HA2 GLY 24 1HA GLY 24 -1.896 5.955 -17.051 182 HA3 GLY 24 2HA GLY 24 -3.153 4.831 -17.562 183 H VAL 25 H VAL 25 -0.332 3.268 -17.000 184 HA VAL 25 HA VAL 25 -1.207 2.200 -14.396 185 HB VAL 25 HB VAL 25 0.948 1.194 -16.256 186 HG11 VAL 25 1HG1 VAL 25 -0.522 0.191 -13.856 187 HG12 VAL 25 2HG1 VAL 25 1.197 0.151 -14.220 188 HG13 VAL 25 3HG1 VAL 25 0.100 -0.961 -15.042 189 HG21 VAL 25 3HG2 VAL 25 -1.478 1.410 -17.238 190 HG22 VAL 25 1HG2 VAL 25 -1.843 0.051 -16.181 191 HG23 VAL 25 2HG2 VAL 25 -0.611 -0.113 -17.432 192 H ILE 26 H ILE 26 -0.498 3.515 -12.909 193 HA ILE 26 HA ILE 26 2.003 4.858 -13.145 194 HB ILE 26 HB ILE 26 0.470 4.743 -10.594 195 HG12 ILE 26 1HG1 ILE 26 -0.764 6.791 -11.746 196 HG13 ILE 26 2HG1 ILE 26 -0.408 5.904 -13.228 197 HG21 ILE 26 1HG2 ILE 26 2.663 5.961 -11.007 198 HG22 ILE 26 2HG2 ILE 26 1.341 6.933 -10.364 199 HG23 ILE 26 3HG2 ILE 26 1.756 7.032 -12.077 200 HD11 ILE 26 3HD1 ILE 26 -1.947 4.293 -12.771 201 HD12 ILE 26 1HD1 ILE 26 -2.599 5.447 -11.609 202 HD13 ILE 26 2HD1 ILE 26 -1.470 4.206 -11.075 203 H LEU 27 H LEU 27 3.861 4.087 -12.729 204 HA LEU 27 HA LEU 27 4.196 2.147 -10.539 205 HB2 LEU 27 1HB LEU 27 5.567 2.413 -13.154 206 HB3 LEU 27 2HB LEU 27 6.534 1.947 -11.767 207 HG LEU 27 HG LEU 27 4.230 0.381 -11.584 208 HD11 LEU 27 1HD1 LEU 27 5.342 0.105 -14.345 209 HD12 LEU 27 2HD1 LEU 27 4.068 1.280 -14.039 210 HD13 LEU 27 3HD1 LEU 27 3.782 -0.426 -13.726 211 HD21 LEU 27 3HD2 LEU 27 7.004 -0.199 -12.680 212 HD22 LEU 27 1HD2 LEU 27 5.855 -1.436 -12.181 213 HD23 LEU 27 2HD2 LEU 27 6.513 -0.315 -10.989 214 H THR 28 H THR 28 6.981 2.566 -10.287 215 HA THR 28 HA THR 28 7.838 5.192 -10.263 216 HB THR 28 HB THR 28 6.375 4.386 -7.757 217 HG1 THR 28 HG1 THR 28 5.575 5.797 -9.585 218 HG21 THR 28 3HG2 THR 28 8.569 6.461 -8.016 219 HG22 THR 28 1HG2 THR 28 8.588 5.032 -6.978 220 HG23 THR 28 2HG2 THR 28 7.468 6.349 -6.645 221 H ILE 29 H ILE 29 9.876 5.436 -9.106 222 HA ILE 29 HA ILE 29 11.172 2.834 -8.676 223 HB ILE 29 HB ILE 29 12.804 5.296 -8.613 224 HG12 ILE 29 1HG1 ILE 29 11.108 5.955 -10.290 225 HG13 ILE 29 2HG1 ILE 29 12.667 5.656 -11.046 226 HG21 ILE 29 1HG2 ILE 29 13.688 2.961 -8.702 227 HG22 ILE 29 2HG2 ILE 29 14.238 3.954 -10.051 228 HG23 ILE 29 3HG2 ILE 29 12.949 2.773 -10.291 229 HD11 ILE 29 3HD1 ILE 29 11.450 4.361 -12.474 230 HD12 ILE 29 1HD1 ILE 29 10.125 4.164 -11.330 231 HD13 ILE 29 2HD1 ILE 29 11.567 3.161 -11.189 232 H GLN 30 H GLN 30 11.525 2.149 -6.667 233 HA GLN 30 HA GLN 30 11.243 4.044 -4.446 234 HB2 GLN 30 1HB GLN 30 11.051 1.074 -4.743 235 HB3 GLN 30 2HB GLN 30 11.394 1.743 -3.158 236 HG2 GLN 30 1HG GLN 30 8.989 2.308 -4.902 237 HG3 GLN 30 2HG GLN 30 9.009 1.469 -3.358 238 HE21 GLN 30 2HE2 GLN 30 9.451 4.696 -4.839 239 HE22 GLN 30 1HE2 GLN 30 9.158 5.557 -3.407 240 H GLN 31 H GLN 31 12.867 4.595 -3.114 241 HA GLN 31 HA GLN 31 15.540 4.222 -3.944 242 HB2 GLN 31 1HB GLN 31 14.741 6.167 -2.613 243 HB3 GLN 31 2HB GLN 31 14.562 5.095 -1.221 244 HG2 GLN 31 1HG GLN 31 17.015 4.464 -1.563 245 HG3 GLN 31 2HG GLN 31 17.111 5.822 -2.677 246 HE21 GLN 31 2HE2 GLN 31 14.832 6.751 -0.497 247 HE22 GLN 31 1HE2 GLN 31 15.815 7.551 0.631 248 H HIS 32 H HIS 32 16.730 2.541 -3.757 249 HA HIS 32 HA HIS 32 16.984 0.990 -1.344 250 HB2 HIS 32 1HB HIS 32 15.705 -0.206 -3.821 251 HB3 HIS 32 2HB HIS 32 16.486 -1.194 -2.593 252 HD1 HIS 32 HD1 HIS 32 15.499 -0.705 -0.029 253 HD2 HIS 32 HD2 HIS 32 13.053 0.285 -3.264 254 HE1 HIS 32 HE1 HIS 32 13.138 -0.497 0.884 255 H ASN 33 H ASN 33 18.330 -1.195 -2.388 256 HA ASN 33 HA ASN 33 20.732 0.056 -3.458 257 HB2 ASN 33 1HB ASN 33 20.796 -1.735 -1.679 258 HB3 ASN 33 2HB ASN 33 20.251 -2.881 -2.903 259 HD21 ASN 33 2HD2 ASN 33 22.582 -0.176 -3.348 260 HD22 ASN 33 1HD2 ASN 33 23.884 -1.171 -3.783 261 H GLN 34 H GLN 34 18.163 -0.245 -4.980 262 HA GLN 34 HA GLN 34 19.196 -0.660 -7.541 263 HB2 GLN 34 1HB GLN 34 17.596 -2.763 -7.949 264 HB3 GLN 34 2HB GLN 34 19.282 -2.960 -7.487 265 HG2 GLN 34 1HG GLN 34 18.471 -4.247 -5.804 266 HG3 GLN 34 2HG GLN 34 18.034 -2.727 -5.031 267 HE21 GLN 34 2HE2 GLN 34 15.777 -1.918 -5.470 268 HE22 GLN 34 1HE2 GLN 34 14.551 -3.057 -5.780 269 H SER 35 H SER 35 17.541 -0.340 -9.184 270 HA SER 35 HA SER 35 15.549 1.500 -8.399 271 HB2 SER 35 1HB SER 35 15.159 0.170 -10.982 272 HB3 SER 35 2HB SER 35 15.362 1.877 -10.604 273 HG SER 35 HG SER 35 17.226 -0.054 -11.282 274 H ASP 36 H ASP 36 14.377 0.308 -6.717 275 HA ASP 36 HA ASP 36 12.764 -1.964 -7.451 276 HB2 ASP 36 1HB ASP 36 13.199 -0.471 -5.049 277 HB3 ASP 36 2HB ASP 36 11.478 -0.510 -5.396 278 H VAL 37 H VAL 37 11.291 -1.813 -8.911 279 HA VAL 37 HA VAL 37 9.960 0.742 -9.360 280 HB VAL 37 HB VAL 37 9.715 -1.743 -11.051 281 HG11 VAL 37 1HG1 VAL 37 9.950 1.083 -12.012 282 HG12 VAL 37 2HG1 VAL 37 8.420 0.560 -11.308 283 HG13 VAL 37 3HG1 VAL 37 9.069 -0.271 -12.723 284 HG21 VAL 37 3HG2 VAL 37 12.041 -1.590 -10.965 285 HG22 VAL 37 1HG2 VAL 37 12.015 0.128 -10.601 286 HG23 VAL 37 2HG2 VAL 37 11.713 -0.418 -12.243 287 H TRP 38 H TRP 38 8.270 1.070 -8.185 288 HA TRP 38 HA TRP 38 6.576 -1.189 -7.368 289 HB2 TRP 38 1HB TRP 38 6.994 1.594 -6.284 290 HB3 TRP 38 2HB TRP 38 5.648 0.585 -5.770 291 HD1 TRP 38 HD1 TRP 38 9.316 -0.516 -6.411 292 HE1 TRP 38 HE1 TRP 38 10.177 -1.614 -4.234 293 HE3 TRP 38 HE3 TRP 38 5.293 0.299 -3.449 294 HZ2 TRP 38 HZ2 TRP 38 9.222 -2.063 -1.544 295 HZ3 TRP 38 HZ3 TRP 38 5.266 -0.432 -1.117 296 HH2 TRP 38 HH2 TRP 38 7.221 -1.619 -0.134 297 H LEU 39 H LEU 39 4.249 -0.843 -7.314 298 HA LEU 39 HA LEU 39 3.345 0.795 -9.604 299 HB2 LEU 39 1HB LEU 39 2.939 -1.547 -9.997 300 HB3 LEU 39 2HB LEU 39 2.167 -1.722 -8.424 301 HG LEU 39 HG LEU 39 0.482 0.017 -9.200 302 HD11 LEU 39 1HD1 LEU 39 2.132 0.650 -11.169 303 HD12 LEU 39 2HD1 LEU 39 0.394 0.665 -11.444 304 HD13 LEU 39 3HD1 LEU 39 1.356 -0.702 -11.976 305 HD21 LEU 39 3HD2 LEU 39 0.712 -2.528 -10.802 306 HD22 LEU 39 1HD2 LEU 39 -0.762 -1.623 -10.508 307 HD23 LEU 39 2HD2 LEU 39 0.054 -2.407 -9.167 308 H ALA 40 H ALA 40 1.624 2.091 -9.393 309 HA ALA 40 HA ALA 40 0.683 2.608 -6.640 310 HB1 ALA 40 1HB ALA 40 1.526 4.312 -8.793 311 HB2 ALA 40 2HB ALA 40 1.037 4.763 -7.162 312 HB3 ALA 40 3HB ALA 40 -0.171 4.633 -8.439 313 H ASP 41 H ASP 41 -0.224 2.176 -10.001 314 HA ASP 41 HA ASP 41 -3.068 2.156 -9.549 315 HB2 ASP 41 1HB ASP 41 -1.653 2.545 -11.778 316 HB3 ASP 41 2HB ASP 41 -1.827 0.808 -11.909 317 H GLU 42 H GLU 42 -2.238 0.484 -7.648 318 HA GLU 42 HA GLU 42 -1.532 -2.053 -8.000 319 HB2 GLU 42 1HB GLU 42 -3.585 -0.851 -6.221 320 HB3 GLU 42 2HB GLU 42 -3.357 -2.608 -6.216 321 HG2 GLU 42 1HG GLU 42 -1.107 -2.445 -5.621 322 HG3 GLU 42 2HG GLU 42 -0.986 -0.761 -6.112 323 H SER 43 H SER 43 -4.592 -0.802 -9.122 324 HA SER 43 HA SER 43 -5.962 -3.184 -9.667 325 HB2 SER 43 1HB SER 43 -6.040 -1.289 -11.874 326 HB3 SER 43 2HB SER 43 -7.332 -1.775 -10.780 327 HG SER 43 HG SER 43 -5.522 0.358 -10.645 328 H GLN 44 H GLN 44 -3.254 -1.639 -11.032 329 HA GLN 44 HA GLN 44 -2.986 -3.364 -13.356 330 HB2 GLN 44 1HB GLN 44 -1.445 -1.003 -12.300 331 HB3 GLN 44 2HB GLN 44 -1.081 -1.827 -13.791 332 HG2 GLN 44 1HG GLN 44 -3.588 -0.320 -13.091 333 HG3 GLN 44 2HG GLN 44 -2.428 0.080 -14.348 334 HE21 GLN 44 2HE2 GLN 44 -5.345 -0.456 -14.659 335 HE22 GLN 44 1HE2 GLN 44 -5.456 -1.766 -15.735 336 H ALA 45 H ALA 45 -2.006 -3.358 -10.120 337 HA ALA 45 HA ALA 45 0.590 -4.078 -9.875 338 HB1 ALA 45 1HB ALA 45 -0.127 -5.764 -8.197 339 HB2 ALA 45 2HB ALA 45 -1.784 -5.559 -8.760 340 HB3 ALA 45 3HB ALA 45 -0.940 -4.209 -8.006 341 H GLU 46 H GLU 46 -1.832 -6.525 -10.327 342 HA GLU 46 HA GLU 46 -0.265 -8.674 -11.034 343 HB2 GLU 46 1HB GLU 46 -2.331 -9.495 -12.121 344 HB3 GLU 46 2HB GLU 46 -2.691 -8.724 -10.571 345 HG2 GLU 46 1HG GLU 46 -2.957 -6.542 -11.981 346 HG3 GLU 46 2HG GLU 46 -3.113 -7.636 -13.354 347 H ARG 47 H ARG 47 -1.648 -6.148 -13.060 348 HA ARG 47 HA ARG 47 -0.828 -7.096 -15.565 349 HB2 ARG 47 1HB ARG 47 -2.381 -5.068 -14.856 350 HB3 ARG 47 2HB ARG 47 -0.872 -4.170 -14.991 351 HG2 ARG 47 1HG ARG 47 -0.833 -5.700 -17.270 352 HG3 ARG 47 2HG ARG 47 -2.552 -5.326 -17.097 353 HD2 ARG 47 1HD ARG 47 -1.454 -2.922 -16.474 354 HD3 ARG 47 2HD ARG 47 -0.269 -3.528 -17.628 355 HE ARG 47 HE ARG 47 -2.845 -2.541 -18.290 356 HH11 ARG 47 1HH2 ARG 47 -0.613 -5.099 -19.036 357 HH12 ARG 47 2HH2 ARG 47 -1.349 -5.482 -20.550 358 HH21 ARG 47 1HH1 ARG 47 -3.779 -3.019 -20.305 359 HH22 ARG 47 2HH1 ARG 47 -3.109 -4.269 -21.297 360 H VAL 48 H VAL 48 0.439 -4.367 -13.889 361 HA VAL 48 HA VAL 48 2.852 -4.030 -15.118 362 HB VAL 48 HB VAL 48 2.189 -3.730 -12.187 363 HG11 VAL 48 1HG1 VAL 48 4.531 -3.426 -12.601 364 HG12 VAL 48 2HG1 VAL 48 3.817 -1.826 -12.473 365 HG13 VAL 48 3HG1 VAL 48 4.217 -2.497 -14.051 366 HG21 VAL 48 3HG2 VAL 48 1.974 -1.350 -13.703 367 HG22 VAL 48 1HG2 VAL 48 0.684 -2.222 -12.881 368 HG23 VAL 48 2HG2 VAL 48 1.069 -2.589 -14.559 369 H ARG 49 H ARG 49 2.416 -5.758 -12.060 370 HA ARG 49 HA ARG 49 4.916 -6.809 -11.770 371 HB2 ARG 49 1HB ARG 49 2.241 -7.607 -10.880 372 HB3 ARG 49 2HB ARG 49 3.336 -8.978 -11.057 373 HG2 ARG 49 1HG ARG 49 4.993 -7.790 -9.680 374 HG3 ARG 49 2HG ARG 49 3.820 -6.491 -9.440 375 HD2 ARG 49 1HD ARG 49 3.606 -7.968 -7.577 376 HD3 ARG 49 2HD ARG 49 2.206 -8.203 -8.611 377 HE ARG 49 HE ARG 49 4.451 -10.083 -8.260 378 HH11 ARG 49 1HH2 ARG 49 1.358 -9.268 -9.647 379 HH12 ARG 49 2HH2 ARG 49 1.043 -10.877 -10.198 380 HH21 ARG 49 1HH1 ARG 49 4.007 -12.180 -8.963 381 HH22 ARG 49 2HH1 ARG 49 2.542 -12.525 -9.829 382 H ALA 50 H ALA 50 2.324 -7.967 -13.829 383 HA ALA 50 HA ALA 50 3.817 -10.242 -14.812 384 HB1 ALA 50 1HB ALA 50 1.350 -10.295 -14.637 385 HB2 ALA 50 2HB ALA 50 1.883 -10.550 -16.296 386 HB3 ALA 50 3HB ALA 50 1.245 -8.983 -15.807 387 H GLU 51 H GLU 51 2.788 -7.079 -15.969 388 HA GLU 51 HA GLU 51 3.575 -6.999 -18.559 389 HB2 GLU 51 1HB GLU 51 3.986 -4.906 -16.459 390 HB3 GLU 51 2HB GLU 51 4.221 -4.631 -18.185 391 HG2 GLU 51 1HG GLU 51 1.703 -5.998 -17.604 392 HG3 GLU 51 2HG GLU 51 1.799 -4.413 -16.843 393 H LEU 52 H LEU 52 5.737 -6.480 -15.784 394 HA LEU 52 HA LEU 52 8.005 -5.893 -17.025 395 HB2 LEU 52 1HB LEU 52 7.613 -7.835 -14.812 396 HB3 LEU 52 2HB LEU 52 9.219 -7.520 -15.463 397 HG LEU 52 HG LEU 52 8.390 -6.126 -13.433 398 HD11 LEU 52 1HD1 LEU 52 9.353 -4.043 -14.980 399 HD12 LEU 52 2HD1 LEU 52 9.963 -5.476 -15.804 400 HD13 LEU 52 3HD1 LEU 52 10.338 -5.214 -14.110 401 HD21 LEU 52 3HD2 LEU 52 6.918 -4.794 -15.717 402 HD22 LEU 52 1HD2 LEU 52 7.301 -3.981 -14.203 403 HD23 LEU 52 2HD2 LEU 52 6.253 -5.388 -14.200 404 H ALA 53 H ALA 53 7.720 -9.348 -16.349 405 HA ALA 53 HA ALA 53 9.429 -10.370 -18.170 406 HB1 ALA 53 1HB ALA 53 6.671 -11.370 -17.461 407 HB2 ALA 53 2HB ALA 53 8.227 -11.918 -16.834 408 HB3 ALA 53 3HB ALA 53 7.766 -12.283 -18.499 409 H ARG 54 H ARG 54 6.265 -8.990 -18.929 410 HA ARG 54 HA ARG 54 6.443 -9.717 -21.748 411 HB2 ARG 54 1HB ARG 54 4.715 -7.430 -20.950 412 HB3 ARG 54 2HB ARG 54 4.357 -8.784 -22.011 413 HG2 ARG 54 1HG ARG 54 4.718 -9.519 -19.168 414 HG3 ARG 54 2HG ARG 54 3.340 -8.484 -19.490 415 HD2 ARG 54 1HD ARG 54 2.393 -10.545 -19.817 416 HD3 ARG 54 2HD ARG 54 2.906 -10.166 -21.459 417 HE ARG 54 HE ARG 54 4.110 -12.143 -19.659 418 HH11 ARG 54 1HH2 ARG 54 4.185 -10.456 -22.692 419 HH12 ARG 54 2HH2 ARG 54 5.480 -11.413 -23.345 420 HH21 ARG 54 1HH1 ARG 54 5.772 -13.409 -20.538 421 HH22 ARG 54 2HH1 ARG 54 6.361 -13.083 -22.138 422 H PHE 55 H PHE 55 6.449 -6.744 -19.916 423 HA PHE 55 HA PHE 55 7.278 -4.865 -21.699 424 HB2 PHE 55 1HB PHE 55 6.774 -3.975 -19.673 425 HB3 PHE 55 2HB PHE 55 7.429 -5.342 -18.795 426 HD1 PHE 55 HD1 PHE 55 8.760 -2.790 -21.113 427 HD2 PHE 55 HD2 PHE 55 9.120 -4.780 -17.370 428 HE1 PHE 55 HE1 PHE 55 10.833 -1.511 -20.622 429 HE2 PHE 55 HE2 PHE 55 11.173 -3.544 -16.853 430 HZ PHE 55 HZ PHE 55 12.049 -1.878 -18.494 431 H LEU 56 H LEU 56 9.078 -7.472 -20.310 432 HA LEU 56 HA LEU 56 11.676 -6.418 -21.010 433 HB2 LEU 56 1HB LEU 56 11.034 -9.289 -20.330 434 HB3 LEU 56 2HB LEU 56 12.535 -8.409 -20.072 435 HG LEU 56 HG LEU 56 10.076 -8.451 -18.461 436 HD11 LEU 56 1HD1 LEU 56 12.963 -7.898 -17.862 437 HD12 LEU 56 2HD1 LEU 56 12.171 -9.470 -17.768 438 HD13 LEU 56 3HD1 LEU 56 11.691 -8.173 -16.675 439 HD21 LEU 56 3HD2 LEU 56 11.522 -5.910 -19.170 440 HD22 LEU 56 1HD2 LEU 56 10.899 -6.118 -17.538 441 HD23 LEU 56 2HD2 LEU 56 9.804 -6.168 -18.907 442 H GLU 57 H GLU 57 9.735 -9.197 -22.139 443 HA GLU 57 HA GLU 57 11.425 -9.451 -24.511 444 HB2 GLU 57 1HB GLU 57 9.520 -11.222 -25.013 445 HB3 GLU 57 2HB GLU 57 10.801 -11.585 -23.862 446 HG2 GLU 57 1HG GLU 57 9.362 -11.583 -22.093 447 HG3 GLU 57 2HG GLU 57 8.499 -10.171 -22.691 448 H ASN 58 H ASN 58 8.599 -7.803 -23.597 449 HA ASN 58 HA ASN 58 8.036 -7.250 -26.437 450 HB2 ASN 58 1HB ASN 58 6.421 -8.915 -24.616 451 HB3 ASN 58 2HB ASN 58 5.525 -7.768 -25.611 452 HD21 ASN 58 2HD2 ASN 58 6.833 -10.879 -25.597 453 HD22 ASN 58 1HD2 ASN 58 6.865 -11.140 -27.278 454 HA PRO 59 HA PRO 59 7.090 -3.728 -23.322 455 HB2 PRO 59 1HB PRO 59 8.924 -1.964 -24.471 456 HB3 PRO 59 2HB PRO 59 9.215 -2.934 -23.034 457 HG2 PRO 59 1HG PRO 59 10.053 -3.446 -25.841 458 HG3 PRO 59 2HG PRO 59 10.933 -3.727 -24.326 459 HD2 PRO 59 1HD PRO 59 9.748 -5.766 -25.644 460 HD3 PRO 59 2HD PRO 59 9.814 -5.721 -23.872 461 H ALA 60 H ALA 60 8.228 -1.705 -25.736 462 HA ALA 60 HA ALA 60 7.125 -0.290 -27.157 463 HB1 ALA 60 1HB ALA 60 5.998 -2.866 -28.212 464 HB2 ALA 60 2HB ALA 60 7.700 -2.439 -28.380 465 HB3 ALA 60 3HB ALA 60 6.459 -1.422 -29.116 466 H ASP 61 H ASP 61 4.576 -1.295 -28.511 467 HA ASP 61 HA ASP 61 2.745 0.098 -26.792 468 HB2 ASP 61 1HB ASP 61 2.100 -1.510 -29.273 469 HB3 ASP 61 2HB ASP 61 1.108 -0.256 -28.534 470 H LEU 62 H LEU 62 0.992 -0.721 -25.687 471 HA LEU 62 HA LEU 62 1.244 -3.511 -24.863 472 HB2 LEU 62 1HB LEU 62 0.686 -1.242 -23.466 473 HB3 LEU 62 2HB LEU 62 -0.940 -1.849 -23.764 474 HG LEU 62 HG LEU 62 -0.385 -3.985 -22.759 475 HD11 LEU 62 1HD1 LEU 62 2.046 -3.832 -21.560 476 HD12 LEU 62 2HD1 LEU 62 2.370 -2.930 -23.034 477 HD13 LEU 62 3HD1 LEU 62 1.790 -4.592 -23.128 478 HD21 LEU 62 3HD2 LEU 62 0.055 -3.242 -20.457 479 HD22 LEU 62 1HD2 LEU 62 -1.045 -2.122 -21.254 480 HD23 LEU 62 2HD2 LEU 62 0.656 -1.702 -21.055 481 H ASP 63 H ASP 63 -0.411 -1.812 -27.208 482 HA ASP 63 HA ASP 63 -2.838 -3.439 -27.096 483 HB2 ASP 63 1HB ASP 63 -1.955 -1.077 -28.735 484 HB3 ASP 63 2HB ASP 63 -3.337 -2.052 -29.229 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.718 2.091 -2.023 2 HA MET 1 HA MET 1 0.781 1.499 -3.819 3 HB2 MET 1 1HB MET 1 1.490 2.212 -1.144 4 HB3 MET 1 2HB MET 1 2.731 1.119 -1.755 5 HG2 MET 1 1HG MET 1 1.785 3.710 -2.999 6 HG3 MET 1 2HG MET 1 3.399 3.331 -2.403 7 HE1 MET 1 3HE MET 1 4.281 4.269 -4.702 8 HE2 MET 1 1HE MET 1 4.954 2.959 -5.678 9 HE3 MET 1 2HE MET 1 5.186 2.970 -3.932 10 H LEU 2 H LEU 2 2.136 -0.037 -4.771 11 HA LEU 2 HA LEU 2 2.248 -2.683 -3.473 12 HB2 LEU 2 1HB LEU 2 0.395 -2.218 -5.292 13 HB3 LEU 2 2HB LEU 2 1.730 -2.525 -6.383 14 HG LEU 2 HG LEU 2 2.044 -4.525 -4.548 15 HD11 LEU 2 1HD1 LEU 2 -0.324 -3.598 -3.796 16 HD12 LEU 2 2HD1 LEU 2 -0.013 -5.332 -3.853 17 HD13 LEU 2 3HD1 LEU 2 -0.884 -4.549 -5.172 18 HD21 LEU 2 3HD2 LEU 2 0.671 -5.766 -6.475 19 HD22 LEU 2 1HD2 LEU 2 2.278 -5.105 -6.768 20 HD23 LEU 2 2HD2 LEU 2 0.850 -4.200 -7.264 21 H MET 3 H MET 3 3.951 -3.994 -4.090 22 HA MET 3 HA MET 3 6.138 -2.607 -5.469 23 HB2 MET 3 1HB MET 3 6.365 -3.748 -3.127 24 HB3 MET 3 2HB MET 3 6.425 -5.244 -4.056 25 HG2 MET 3 1HG MET 3 8.190 -2.925 -4.806 26 HG3 MET 3 2HG MET 3 8.662 -4.020 -3.506 27 HE1 MET 3 3HE MET 3 10.824 -4.469 -4.861 28 HE2 MET 3 1HE MET 3 10.275 -3.479 -6.221 29 HE3 MET 3 2HE MET 3 10.876 -5.108 -6.505 30 H ILE 4 H ILE 4 7.117 -3.524 -7.300 31 HA ILE 4 HA ILE 4 5.682 -5.842 -8.452 32 HB ILE 4 HB ILE 4 6.663 -3.317 -9.765 33 HG12 ILE 4 1HG1 ILE 4 4.350 -3.516 -8.679 34 HG13 ILE 4 2HG1 ILE 4 4.413 -2.986 -10.362 35 HG21 ILE 4 1HG2 ILE 4 5.776 -5.907 -11.060 36 HG22 ILE 4 2HG2 ILE 4 7.367 -5.162 -11.169 37 HG23 ILE 4 3HG2 ILE 4 5.980 -4.379 -11.913 38 HD11 ILE 4 3HD1 ILE 4 3.864 -5.826 -9.445 39 HD12 ILE 4 1HD1 ILE 4 3.904 -5.274 -11.119 40 HD13 ILE 4 2HD1 ILE 4 2.652 -4.689 -10.030 41 H THR 5 H THR 5 8.599 -3.938 -9.124 42 HA THR 5 HA THR 5 10.274 -6.316 -8.922 43 HB THR 5 HB THR 5 9.180 -6.173 -11.298 44 HG1 THR 5 HG1 THR 5 10.852 -7.286 -11.859 45 HG21 THR 5 3HG2 THR 5 10.242 -4.589 -12.830 46 HG22 THR 5 1HG2 THR 5 11.230 -3.949 -11.530 47 HG23 THR 5 2HG2 THR 5 9.487 -3.711 -11.504 48 H SER 6 H SER 6 12.386 -5.367 -10.266 49 HA SER 6 HA SER 6 12.935 -2.681 -9.337 50 HB2 SER 6 1HB SER 6 15.049 -4.623 -8.710 51 HB3 SER 6 2HB SER 6 14.565 -3.159 -7.863 52 HG SER 6 HG SER 6 13.303 -4.301 -6.637 53 H PHE 7 H PHE 7 14.307 -1.665 -10.667 54 HA PHE 7 HA PHE 7 15.152 -3.201 -13.034 55 HB2 PHE 7 1HB PHE 7 14.486 -0.302 -12.568 56 HB3 PHE 7 2HB PHE 7 15.171 -0.919 -14.067 57 HD1 PHE 7 HD2 PHE 7 13.821 -3.549 -14.318 58 HD2 PHE 7 HD1 PHE 7 12.234 0.239 -13.100 59 HE1 PHE 7 HE2 PHE 7 11.572 -4.267 -15.050 60 HE2 PHE 7 HE1 PHE 7 9.997 -0.471 -13.864 61 HZ PHE 7 HZ PHE 7 9.657 -2.714 -14.826 62 H ALA 8 H ALA 8 17.210 -3.373 -13.597 63 HA ALA 8 HA ALA 8 19.319 -2.867 -11.846 64 HB1 ALA 8 1HB ALA 8 19.140 -4.217 -14.147 65 HB2 ALA 8 2HB ALA 8 20.689 -3.646 -13.530 66 HB3 ALA 8 3HB ALA 8 19.848 -2.732 -14.781 67 H ASN 9 H ASN 9 17.802 -0.968 -14.287 68 HA ASN 9 HA ASN 9 19.500 1.351 -13.612 69 HB2 ASN 9 1HB ASN 9 18.225 0.440 -16.156 70 HB3 ASN 9 2HB ASN 9 18.473 2.151 -15.888 71 HD21 ASN 9 2HD2 ASN 9 20.278 -0.950 -15.767 72 HD22 ASN 9 1HD2 ASN 9 21.751 -0.282 -16.267 73 HA PRO 10 HA PRO 10 15.669 3.264 -12.382 74 HB2 PRO 10 1HB PRO 10 16.479 5.822 -12.273 75 HB3 PRO 10 2HB PRO 10 17.179 4.616 -11.165 76 HG2 PRO 10 1HG PRO 10 18.276 5.673 -13.733 77 HG3 PRO 10 2HG PRO 10 19.081 5.464 -12.169 78 HD2 PRO 10 1HD PRO 10 19.320 3.669 -14.205 79 HD3 PRO 10 2HD PRO 10 19.429 3.209 -12.487 80 H ARG 11 H ARG 11 17.522 4.162 -15.184 81 HA ARG 11 HA ARG 11 15.684 5.879 -16.476 82 HB2 ARG 11 1HB ARG 11 17.378 4.049 -18.126 83 HB3 ARG 11 2HB ARG 11 17.102 5.781 -18.286 84 HG2 ARG 11 1HG ARG 11 18.382 5.650 -15.863 85 HG3 ARG 11 2HG ARG 11 19.160 4.340 -16.764 86 HD2 ARG 11 1HD ARG 11 20.382 5.885 -17.824 87 HD3 ARG 11 2HD ARG 11 18.903 6.474 -18.580 88 HE ARG 11 HE ARG 11 19.305 7.508 -15.913 89 HH11 ARG 11 1HH2 ARG 11 20.162 7.857 -19.257 90 HH12 ARG 11 2HH2 ARG 11 20.450 9.563 -19.143 91 HH21 ARG 11 1HH1 ARG 11 19.712 9.725 -15.758 92 HH22 ARG 11 2HH1 ARG 11 20.189 10.624 -17.161 93 H VAL 12 H VAL 12 16.365 2.423 -16.952 94 HA VAL 12 HA VAL 12 14.202 1.841 -18.634 95 HB VAL 12 HB VAL 12 14.567 -0.430 -18.124 96 HG11 VAL 12 1HG1 VAL 12 16.524 0.119 -19.214 97 HG12 VAL 12 2HG1 VAL 12 17.167 -0.511 -17.699 98 HG13 VAL 12 3HG1 VAL 12 17.041 1.230 -17.950 99 HG21 VAL 12 3HG2 VAL 12 14.389 -0.855 -15.900 100 HG22 VAL 12 1HG2 VAL 12 15.270 0.603 -15.452 101 HG23 VAL 12 2HG2 VAL 12 16.150 -0.825 -15.987 102 H ALA 13 H ALA 13 14.496 2.273 -15.212 103 HA ALA 13 HA ALA 13 11.935 1.246 -14.503 104 HB1 ALA 13 1HB ALA 13 14.045 1.622 -13.028 105 HB2 ALA 13 2HB ALA 13 12.466 1.971 -12.325 106 HB3 ALA 13 3HB ALA 13 13.476 3.285 -12.916 107 H GLN 14 H GLN 14 13.193 4.563 -14.378 108 HA GLN 14 HA GLN 14 10.729 5.823 -14.066 109 HB2 GLN 14 1HB GLN 14 13.179 6.870 -15.510 110 HB3 GLN 14 2HB GLN 14 11.846 7.847 -14.895 111 HG2 GLN 14 1HG GLN 14 12.492 7.613 -12.703 112 HG3 GLN 14 2HG GLN 14 13.157 6.003 -12.961 113 HE21 GLN 14 2HE2 GLN 14 14.994 6.492 -15.039 114 HE22 GLN 14 1HE2 GLN 14 16.191 7.567 -14.495 115 H ALA 15 H ALA 15 12.417 4.651 -16.912 116 HA ALA 15 HA ALA 15 10.616 5.784 -18.827 117 HB1 ALA 15 1HB ALA 15 12.893 5.017 -19.434 118 HB2 ALA 15 2HB ALA 15 11.656 4.233 -20.414 119 HB3 ALA 15 3HB ALA 15 12.414 3.355 -19.085 120 H PHE 16 H PHE 16 10.942 2.548 -17.343 121 HA PHE 16 HA PHE 16 8.750 1.343 -18.622 122 HB2 PHE 16 1HB PHE 16 10.303 0.002 -17.317 123 HB3 PHE 16 2HB PHE 16 9.853 0.857 -15.844 124 HD1 PHE 16 HD1 PHE 16 8.206 -0.965 -18.666 125 HD2 PHE 16 HD2 PHE 16 8.239 -0.112 -14.466 126 HE1 PHE 16 HE1 PHE 16 6.410 -2.644 -18.321 127 HE2 PHE 16 HE2 PHE 16 6.447 -1.801 -14.114 128 HZ PHE 16 HZ PHE 16 5.507 -3.035 -16.046 129 H VAL 17 H VAL 17 8.860 2.608 -15.295 130 HA VAL 17 HA VAL 17 6.113 2.475 -14.845 131 HB VAL 17 HB VAL 17 6.487 3.924 -12.973 132 HG11 VAL 17 1HG1 VAL 17 9.175 2.626 -13.351 133 HG12 VAL 17 2HG1 VAL 17 7.730 1.634 -13.217 134 HG13 VAL 17 3HG1 VAL 17 8.187 2.713 -11.897 135 HG21 VAL 17 3HG2 VAL 17 8.899 4.814 -14.551 136 HG22 VAL 17 1HG2 VAL 17 8.718 5.146 -12.832 137 HG23 VAL 17 2HG2 VAL 17 7.552 5.798 -13.979 138 H ASP 18 H ASP 18 8.096 5.076 -16.286 139 HA ASP 18 HA ASP 18 5.982 6.940 -16.555 140 HB2 ASP 18 1HB ASP 18 8.306 7.627 -16.935 141 HB3 ASP 18 2HB ASP 18 8.422 6.540 -18.317 142 H TYR 19 H TYR 19 7.245 4.344 -18.560 143 HA TYR 19 HA TYR 19 5.487 4.580 -20.757 144 HB2 TYR 19 1HB TYR 19 7.052 2.999 -21.312 145 HB3 TYR 19 2HB TYR 19 7.287 2.510 -19.639 146 HD1 TYR 19 HD1 TYR 19 4.620 2.471 -22.233 147 HD2 TYR 19 HD2 TYR 19 6.539 0.362 -19.035 148 HE1 TYR 19 HE1 TYR 19 3.117 0.555 -22.621 149 HE2 TYR 19 HE2 TYR 19 5.040 -1.568 -19.424 150 HH TYR 19 HH TYR 19 2.919 -2.112 -20.421 151 H MET 20 H MET 20 5.401 2.415 -17.947 152 HA MET 20 HA MET 20 2.850 1.358 -18.239 153 HB2 MET 20 1HB MET 20 4.387 2.078 -15.749 154 HB3 MET 20 2HB MET 20 2.942 1.072 -15.763 155 HG2 MET 20 1HG MET 20 5.474 0.505 -17.321 156 HG3 MET 20 2HG MET 20 5.009 -0.297 -15.835 157 HE1 MET 20 3HE MET 20 3.057 -2.095 -15.634 158 HE2 MET 20 1HE MET 20 1.669 -1.962 -16.724 159 HE3 MET 20 2HE MET 20 2.204 -0.574 -15.794 160 H ALA 21 H ALA 21 3.925 4.289 -16.597 161 HA ALA 21 HA ALA 21 1.407 5.227 -15.745 162 HB1 ALA 21 1HB ALA 21 2.518 7.370 -15.509 163 HB2 ALA 21 2HB ALA 21 3.824 6.844 -16.568 164 HB3 ALA 21 3HB ALA 21 3.618 6.098 -14.985 165 H THR 22 H THR 22 3.160 5.418 -18.785 166 HA THR 22 HA THR 22 1.493 7.297 -20.083 167 HB THR 22 HB THR 22 3.789 5.685 -20.653 168 HG1 THR 22 HG1 THR 22 4.152 7.309 -21.986 169 HG21 THR 22 3HG2 THR 22 2.299 4.098 -21.737 170 HG22 THR 22 1HG2 THR 22 3.263 4.950 -22.941 171 HG23 THR 22 2HG2 THR 22 1.573 5.393 -22.689 172 H GLN 23 H GLN 23 1.516 3.852 -19.516 173 HA GLN 23 HA GLN 23 -0.833 3.256 -21.072 174 HB2 GLN 23 1HB GLN 23 0.502 1.658 -18.900 175 HB3 GLN 23 2HB GLN 23 -0.721 1.068 -20.017 176 HG2 GLN 23 1HG GLN 23 2.089 1.975 -20.682 177 HG3 GLN 23 2HG GLN 23 1.400 0.369 -20.898 178 HE21 GLN 23 2HE2 GLN 23 -1.179 1.385 -21.990 179 HE22 GLN 23 1HE2 GLN 23 -0.828 1.957 -23.551 180 H GLY 24 H GLY 24 -0.391 5.040 -18.414 181 HA2 GLY 24 1HA GLY 24 -1.926 5.932 -16.939 182 HA3 GLY 24 2HA GLY 24 -3.128 4.785 -17.537 183 H VAL 25 H VAL 25 -0.163 3.443 -16.861 184 HA VAL 25 HA VAL 25 -1.122 2.214 -14.350 185 HB VAL 25 HB VAL 25 1.154 1.321 -16.114 186 HG11 VAL 25 1HG1 VAL 25 -0.435 0.240 -13.854 187 HG12 VAL 25 2HG1 VAL 25 1.296 0.161 -14.156 188 HG13 VAL 25 3HG1 VAL 25 0.194 -0.884 -15.056 189 HG21 VAL 25 3HG2 VAL 25 -0.398 -0.178 -17.256 190 HG22 VAL 25 1HG2 VAL 25 -0.947 1.481 -17.463 191 HG23 VAL 25 2HG2 VAL 25 -1.744 0.431 -16.296 192 H ILE 26 H ILE 26 -0.525 3.460 -12.794 193 HA ILE 26 HA ILE 26 1.886 4.963 -12.892 194 HB ILE 26 HB ILE 26 0.105 4.544 -10.507 195 HG12 ILE 26 1HG1 ILE 26 -0.843 6.812 -11.554 196 HG13 ILE 26 2HG1 ILE 26 -0.327 6.062 -13.063 197 HG21 ILE 26 1HG2 ILE 26 1.970 6.716 -11.473 198 HG22 ILE 26 2HG2 ILE 26 2.177 5.683 -10.058 199 HG23 ILE 26 3HG2 ILE 26 0.891 6.889 -10.090 200 HD11 ILE 26 3HD1 ILE 26 -1.887 4.363 -12.920 201 HD12 ILE 26 1HD1 ILE 26 -2.757 5.600 -12.018 202 HD13 ILE 26 2HD1 ILE 26 -1.863 4.354 -11.157 203 H LEU 27 H LEU 27 3.733 3.888 -12.759 204 HA LEU 27 HA LEU 27 4.115 2.058 -10.474 205 HB2 LEU 27 1HB LEU 27 5.488 2.263 -13.111 206 HB3 LEU 27 2HB LEU 27 6.471 1.863 -11.710 207 HG LEU 27 HG LEU 27 4.190 0.295 -11.420 208 HD11 LEU 27 1HD1 LEU 27 4.677 -0.885 -13.814 209 HD12 LEU 27 2HD1 LEU 27 4.877 0.804 -14.250 210 HD13 LEU 27 3HD1 LEU 27 3.364 0.252 -13.542 211 HD21 LEU 27 3HD2 LEU 27 6.504 -0.277 -10.824 212 HD22 LEU 27 1HD2 LEU 27 6.944 -0.341 -12.531 213 HD23 LEU 27 2HD2 LEU 27 5.819 -1.523 -11.866 214 H THR 28 H THR 28 6.866 2.520 -10.224 215 HA THR 28 HA THR 28 7.656 5.196 -10.225 216 HB THR 28 HB THR 28 6.492 4.230 -7.590 217 HG1 THR 28 HG1 THR 28 5.254 5.440 -9.327 218 HG21 THR 28 3HG2 THR 28 8.352 6.526 -8.203 219 HG22 THR 28 1HG2 THR 28 8.571 5.239 -7.019 220 HG23 THR 28 2HG2 THR 28 7.353 6.482 -6.752 221 H ILE 29 H ILE 29 9.723 5.427 -9.040 222 HA ILE 29 HA ILE 29 11.016 2.798 -8.791 223 HB ILE 29 HB ILE 29 12.713 5.223 -8.794 224 HG12 ILE 29 1HG1 ILE 29 10.892 5.833 -10.417 225 HG13 ILE 29 2HG1 ILE 29 12.463 5.631 -11.184 226 HG21 ILE 29 1HG2 ILE 29 12.687 2.527 -10.177 227 HG22 ILE 29 2HG2 ILE 29 13.760 3.078 -8.888 228 HG23 ILE 29 3HG2 ILE 29 13.905 3.760 -10.508 229 HD11 ILE 29 3HD1 ILE 29 11.235 3.072 -11.133 230 HD12 ILE 29 1HD1 ILE 29 11.580 4.081 -12.532 231 HD13 ILE 29 2HD1 ILE 29 10.030 4.217 -11.713 232 H GLN 30 H GLN 30 11.605 2.093 -6.877 233 HA GLN 30 HA GLN 30 11.513 3.950 -4.596 234 HB2 GLN 30 1HB GLN 30 11.276 0.985 -4.915 235 HB3 GLN 30 2HB GLN 30 12.038 1.573 -3.442 236 HG2 GLN 30 1HG GLN 30 9.300 2.345 -4.466 237 HG3 GLN 30 2HG GLN 30 9.644 1.320 -3.076 238 HE21 GLN 30 2HE2 GLN 30 8.162 3.858 -3.006 239 HE22 GLN 30 1HE2 GLN 30 9.048 4.910 -2.011 240 H GLN 31 H GLN 31 13.386 5.048 -4.685 241 HA GLN 31 HA GLN 31 15.759 4.216 -5.803 242 HB2 GLN 31 1HB GLN 31 14.890 6.533 -4.634 243 HB3 GLN 31 2HB GLN 31 16.132 5.999 -3.506 244 HG2 GLN 31 1HG GLN 31 17.693 6.774 -4.916 245 HG3 GLN 31 2HG GLN 31 17.204 5.548 -6.076 246 HE21 GLN 31 2HE2 GLN 31 14.487 6.737 -6.473 247 HE22 GLN 31 1HE2 GLN 31 14.730 8.151 -7.379 248 H HIS 32 H HIS 32 16.940 2.603 -5.381 249 HA HIS 32 HA HIS 32 18.040 2.160 -2.732 250 HB2 HIS 32 1HB HIS 32 16.513 0.026 -4.265 251 HB3 HIS 32 2HB HIS 32 17.611 -0.327 -2.940 252 HD1 HIS 32 HD1 HIS 32 14.260 -0.445 -3.251 253 HD2 HIS 32 HD2 HIS 32 16.638 1.967 -0.803 254 HE1 HIS 32 HE1 HIS 32 12.779 0.341 -1.339 255 H ASN 33 H ASN 33 19.535 -0.035 -3.199 256 HA ASN 33 HA ASN 33 21.537 0.863 -4.976 257 HB2 ASN 33 1HB ASN 33 21.784 -0.826 -3.059 258 HB3 ASN 33 2HB ASN 33 21.146 -2.029 -4.183 259 HD21 ASN 33 2HD2 ASN 33 23.778 0.421 -3.904 260 HD22 ASN 33 1HD2 ASN 33 24.856 -0.425 -4.908 261 H GLN 34 H GLN 34 18.549 -0.522 -5.526 262 HA GLN 34 HA GLN 34 19.114 -0.838 -8.366 263 HB2 GLN 34 1HB GLN 34 17.446 -2.943 -8.075 264 HB3 GLN 34 2HB GLN 34 19.198 -3.097 -8.108 265 HG2 GLN 34 1HG GLN 34 19.010 -4.111 -6.096 266 HG3 GLN 34 2HG GLN 34 18.657 -2.522 -5.433 267 HE21 GLN 34 2HE2 GLN 34 16.110 -1.955 -6.186 268 HE22 GLN 34 1HE2 GLN 34 15.027 -3.166 -5.674 269 H SER 35 H SER 35 17.530 0.016 -9.550 270 HA SER 35 HA SER 35 15.525 1.608 -8.473 271 HB2 SER 35 1HB SER 35 15.631 0.377 -11.212 272 HB3 SER 35 2HB SER 35 14.661 1.764 -10.741 273 HG SER 35 HG SER 35 17.476 1.501 -10.891 274 H ASP 36 H ASP 36 14.513 0.225 -6.841 275 HA ASP 36 HA ASP 36 12.892 -2.008 -7.584 276 HB2 ASP 36 1HB ASP 36 12.830 -0.090 -5.267 277 HB3 ASP 36 2HB ASP 36 11.531 -1.251 -5.509 278 H VAL 37 H VAL 37 10.997 -2.021 -8.597 279 HA VAL 37 HA VAL 37 9.809 0.594 -9.199 280 HB VAL 37 HB VAL 37 8.953 -1.666 -10.836 281 HG11 VAL 37 1HG1 VAL 37 8.914 -0.029 -12.437 282 HG12 VAL 37 2HG1 VAL 37 10.468 0.630 -11.941 283 HG13 VAL 37 3HG1 VAL 37 9.008 1.055 -11.053 284 HG21 VAL 37 3HG2 VAL 37 11.360 -2.271 -10.254 285 HG22 VAL 37 1HG2 VAL 37 11.846 -0.781 -11.051 286 HG23 VAL 37 2HG2 VAL 37 11.040 -2.056 -11.955 287 H TRP 38 H TRP 38 8.075 1.061 -8.136 288 HA TRP 38 HA TRP 38 6.418 -1.110 -7.051 289 HB2 TRP 38 1HB TRP 38 6.900 1.756 -6.288 290 HB3 TRP 38 2HB TRP 38 5.421 0.946 -5.776 291 HD1 TRP 38 HD1 TRP 38 9.155 -0.159 -5.864 292 HE1 TRP 38 HE1 TRP 38 9.667 -1.209 -3.555 293 HE3 TRP 38 HE3 TRP 38 4.639 0.445 -3.664 294 HZ2 TRP 38 HZ2 TRP 38 8.275 -1.732 -1.081 295 HZ3 TRP 38 HZ3 TRP 38 4.232 -0.305 -1.382 296 HH2 TRP 38 HH2 TRP 38 6.032 -1.402 -0.055 297 H LEU 39 H LEU 39 4.147 -1.017 -7.208 298 HA LEU 39 HA LEU 39 3.128 0.380 -9.616 299 HB2 LEU 39 1HB LEU 39 3.195 -2.209 -9.353 300 HB3 LEU 39 2HB LEU 39 1.857 -1.993 -8.274 301 HG LEU 39 HG LEU 39 1.669 -2.476 -10.925 302 HD11 LEU 39 1HD1 LEU 39 -0.660 -1.876 -10.687 303 HD12 LEU 39 2HD1 LEU 39 -0.290 -0.903 -9.265 304 HD13 LEU 39 3HD1 LEU 39 -0.082 -2.644 -9.215 305 HD21 LEU 39 3HD2 LEU 39 2.465 -0.387 -11.717 306 HD22 LEU 39 1HD2 LEU 39 1.472 0.508 -10.570 307 HD23 LEU 39 2HD2 LEU 39 0.716 -0.363 -11.904 308 H ALA 40 H ALA 40 1.870 2.097 -9.098 309 HA ALA 40 HA ALA 40 0.723 2.259 -6.415 310 HB1 ALA 40 1HB ALA 40 1.745 4.284 -7.254 311 HB2 ALA 40 2HB ALA 40 0.001 4.537 -7.161 312 HB3 ALA 40 3HB ALA 40 0.764 4.223 -8.716 313 H ASP 41 H ASP 41 -0.233 2.026 -9.769 314 HA ASP 41 HA ASP 41 -3.069 2.029 -9.238 315 HB2 ASP 41 1HB ASP 41 -1.719 2.562 -11.475 316 HB3 ASP 41 2HB ASP 41 -1.900 0.834 -11.724 317 H GLU 42 H GLU 42 -2.443 0.267 -7.454 318 HA GLU 42 HA GLU 42 -1.677 -2.257 -7.924 319 HB2 GLU 42 1HB GLU 42 -3.878 -1.220 -6.181 320 HB3 GLU 42 2HB GLU 42 -3.495 -2.947 -6.230 321 HG2 GLU 42 1HG GLU 42 -1.366 -2.648 -5.390 322 HG3 GLU 42 2HG GLU 42 -1.238 -0.996 -5.990 323 H SER 43 H SER 43 -4.691 -0.902 -9.050 324 HA SER 43 HA SER 43 -6.059 -3.210 -9.834 325 HB2 SER 43 1HB SER 43 -6.047 -1.143 -11.878 326 HB3 SER 43 2HB SER 43 -7.373 -1.704 -10.868 327 HG SER 43 HG SER 43 -5.597 0.417 -10.538 328 H GLN 44 H GLN 44 -3.288 -1.604 -11.025 329 HA GLN 44 HA GLN 44 -3.010 -3.200 -13.430 330 HB2 GLN 44 1HB GLN 44 -1.518 -0.881 -12.248 331 HB3 GLN 44 2HB GLN 44 -1.008 -1.695 -13.703 332 HG2 GLN 44 1HG GLN 44 -3.566 -0.181 -13.240 333 HG3 GLN 44 2HG GLN 44 -2.299 0.200 -14.393 334 HE21 GLN 44 2HE2 GLN 44 -5.062 -0.137 -15.137 335 HE22 GLN 44 1HE2 GLN 44 -5.167 -1.503 -16.141 336 H ALA 45 H ALA 45 -2.068 -3.382 -10.192 337 HA ALA 45 HA ALA 45 0.504 -4.193 -9.989 338 HB1 ALA 45 1HB ALA 45 -1.927 -5.640 -8.920 339 HB2 ALA 45 2HB ALA 45 -1.036 -4.354 -8.110 340 HB3 ALA 45 3HB ALA 45 -0.278 -5.928 -8.368 341 H GLU 46 H GLU 46 -2.026 -6.493 -10.561 342 HA GLU 46 HA GLU 46 -0.578 -8.699 -11.367 343 HB2 GLU 46 1HB GLU 46 -2.683 -9.356 -12.478 344 HB3 GLU 46 2HB GLU 46 -2.995 -8.644 -10.892 345 HG2 GLU 46 1HG GLU 46 -3.251 -6.395 -12.094 346 HG3 GLU 46 2HG GLU 46 -3.307 -7.315 -13.599 347 H ARG 47 H ARG 47 -1.826 -6.026 -13.239 348 HA ARG 47 HA ARG 47 -1.032 -6.862 -15.799 349 HB2 ARG 47 1HB ARG 47 -2.535 -4.839 -14.950 350 HB3 ARG 47 2HB ARG 47 -1.003 -3.980 -15.038 351 HG2 ARG 47 1HG ARG 47 -1.190 -5.478 -17.423 352 HG3 ARG 47 2HG ARG 47 -2.770 -4.720 -17.182 353 HD2 ARG 47 1HD ARG 47 -1.128 -2.697 -16.436 354 HD3 ARG 47 2HD ARG 47 -0.145 -3.467 -17.672 355 HE ARG 47 HE ARG 47 -2.255 -1.756 -18.221 356 HH11 ARG 47 1HH2 ARG 47 -1.322 -5.003 -19.050 357 HH12 ARG 47 2HH2 ARG 47 -2.271 -5.045 -20.498 358 HH21 ARG 47 1HH1 ARG 47 -3.477 -1.818 -20.120 359 HH22 ARG 47 2HH1 ARG 47 -3.490 -3.252 -21.109 360 H VAL 48 H VAL 48 0.284 -4.286 -13.919 361 HA VAL 48 HA VAL 48 2.690 -3.894 -15.106 362 HB VAL 48 HB VAL 48 1.994 -3.856 -12.161 363 HG11 VAL 48 1HG1 VAL 48 4.321 -3.587 -12.304 364 HG12 VAL 48 2HG1 VAL 48 3.707 -1.936 -12.324 365 HG13 VAL 48 3HG1 VAL 48 4.216 -2.710 -13.825 366 HG21 VAL 48 3HG2 VAL 48 0.623 -2.193 -12.718 367 HG22 VAL 48 1HG2 VAL 48 0.972 -2.481 -14.420 368 HG23 VAL 48 2HG2 VAL 48 1.955 -1.347 -13.499 369 H ARG 49 H ARG 49 2.100 -5.976 -12.337 370 HA ARG 49 HA ARG 49 4.614 -7.117 -12.135 371 HB2 ARG 49 1HB ARG 49 2.630 -7.384 -10.543 372 HB3 ARG 49 2HB ARG 49 2.040 -8.632 -11.632 373 HG2 ARG 49 1HG ARG 49 4.035 -9.948 -11.298 374 HG3 ARG 49 2HG ARG 49 4.761 -8.655 -10.332 375 HD2 ARG 49 1HD ARG 49 3.840 -9.995 -8.666 376 HD3 ARG 49 2HD ARG 49 2.562 -8.817 -8.946 377 HE ARG 49 HE ARG 49 2.425 -11.332 -10.463 378 HH11 ARG 49 1HH2 ARG 49 1.425 -9.425 -7.747 379 HH12 ARG 49 2HH2 ARG 49 -0.124 -10.182 -7.600 380 HH21 ARG 49 1HH1 ARG 49 0.440 -12.404 -10.223 381 HH22 ARG 49 2HH1 ARG 49 -0.678 -11.905 -8.997 382 H ALA 50 H ALA 50 1.947 -7.853 -14.280 383 HA ALA 50 HA ALA 50 3.185 -10.221 -15.414 384 HB1 ALA 50 1HB ALA 50 0.725 -9.996 -15.284 385 HB2 ALA 50 2HB ALA 50 1.266 -10.160 -16.953 386 HB3 ALA 50 3HB ALA 50 0.806 -8.581 -16.328 387 H GLU 51 H GLU 51 2.475 -6.906 -16.399 388 HA GLU 51 HA GLU 51 3.393 -6.686 -18.946 389 HB2 GLU 51 1HB GLU 51 3.975 -4.824 -16.633 390 HB3 GLU 51 2HB GLU 51 4.173 -4.398 -18.330 391 HG2 GLU 51 1HG GLU 51 1.544 -5.522 -17.431 392 HG3 GLU 51 2HG GLU 51 1.913 -3.844 -17.063 393 H LEU 52 H LEU 52 5.491 -6.199 -16.151 394 HA LEU 52 HA LEU 52 7.864 -5.934 -17.267 395 HB2 LEU 52 1HB LEU 52 7.279 -7.749 -14.974 396 HB3 LEU 52 2HB LEU 52 8.876 -7.113 -15.386 397 HG LEU 52 HG LEU 52 6.418 -5.549 -14.573 398 HD11 LEU 52 1HD1 LEU 52 8.154 -4.580 -13.008 399 HD12 LEU 52 2HD1 LEU 52 9.206 -5.902 -13.531 400 HD13 LEU 52 3HD1 LEU 52 7.682 -6.256 -12.720 401 HD21 LEU 52 3HD2 LEU 52 7.844 -3.526 -14.984 402 HD22 LEU 52 1HD2 LEU 52 7.390 -4.353 -16.468 403 HD23 LEU 52 2HD2 LEU 52 9.008 -4.550 -15.794 404 H ALA 53 H ALA 53 7.059 -9.296 -16.400 405 HA ALA 53 HA ALA 53 9.073 -10.490 -17.833 406 HB1 ALA 53 1HB ALA 53 7.785 -12.011 -16.646 407 HB2 ALA 53 2HB ALA 53 7.309 -12.356 -18.309 408 HB3 ALA 53 3HB ALA 53 6.266 -11.378 -17.276 409 H ARG 54 H ARG 54 6.349 -8.780 -19.028 410 HA ARG 54 HA ARG 54 6.824 -9.749 -21.776 411 HB2 ARG 54 1HB ARG 54 4.716 -7.809 -20.804 412 HB3 ARG 54 2HB ARG 54 4.806 -8.575 -22.386 413 HG2 ARG 54 1HG ARG 54 4.298 -10.719 -21.517 414 HG3 ARG 54 2HG ARG 54 4.650 -10.225 -19.862 415 HD2 ARG 54 1HD ARG 54 2.134 -10.328 -20.944 416 HD3 ARG 54 2HD ARG 54 2.583 -9.346 -19.556 417 HE ARG 54 HE ARG 54 2.724 -8.251 -22.309 418 HH11 ARG 54 1HH2 ARG 54 1.537 -8.155 -19.036 419 HH12 ARG 54 2HH2 ARG 54 0.942 -6.530 -19.170 420 HH21 ARG 54 1HH1 ARG 54 1.913 -6.119 -22.454 421 HH22 ARG 54 2HH1 ARG 54 1.163 -5.392 -21.060 422 H PHE 55 H PHE 55 6.578 -6.773 -19.917 423 HA PHE 55 HA PHE 55 7.510 -4.923 -21.741 424 HB2 PHE 55 1HB PHE 55 6.750 -3.908 -19.888 425 HB3 PHE 55 2HB PHE 55 7.277 -5.213 -18.840 426 HD1 PHE 55 HD1 PHE 55 8.554 -2.407 -20.888 427 HD2 PHE 55 HD2 PHE 55 9.159 -4.925 -17.512 428 HE1 PHE 55 HE1 PHE 55 10.475 -1.000 -20.165 429 HE2 PHE 55 HE2 PHE 55 11.058 -3.554 -16.772 430 HZ PHE 55 HZ PHE 55 11.738 -1.571 -18.112 431 H LEU 56 H LEU 56 9.171 -7.345 -19.914 432 HA LEU 56 HA LEU 56 11.827 -6.293 -20.241 433 HB2 LEU 56 1HB LEU 56 10.635 -8.891 -19.324 434 HB3 LEU 56 2HB LEU 56 12.353 -8.775 -19.648 435 HG LEU 56 HG LEU 56 12.756 -7.515 -17.798 436 HD11 LEU 56 1HD1 LEU 56 10.061 -6.280 -18.360 437 HD12 LEU 56 2HD1 LEU 56 11.643 -5.528 -18.541 438 HD13 LEU 56 3HD1 LEU 56 11.008 -5.873 -16.933 439 HD21 LEU 56 3HD2 LEU 56 10.045 -8.748 -17.267 440 HD22 LEU 56 1HD2 LEU 56 11.024 -8.002 -16.006 441 HD23 LEU 56 2HD2 LEU 56 11.624 -9.418 -16.872 442 H GLU 57 H GLU 57 10.188 -9.134 -21.633 443 HA GLU 57 HA GLU 57 12.197 -9.189 -23.774 444 HB2 GLU 57 1HB GLU 57 10.452 -11.334 -24.136 445 HB3 GLU 57 2HB GLU 57 12.063 -11.394 -23.430 446 HG2 GLU 57 1HG GLU 57 10.850 -10.730 -21.196 447 HG3 GLU 57 2HG GLU 57 9.392 -11.246 -22.036 448 H ASN 58 H ASN 58 9.202 -7.860 -23.275 449 HA ASN 58 HA ASN 58 8.733 -7.682 -26.165 450 HB2 ASN 58 1HB ASN 58 7.405 -9.576 -24.525 451 HB3 ASN 58 2HB ASN 58 6.230 -8.347 -24.978 452 HD21 ASN 58 2HD2 ASN 58 9.043 -9.655 -26.794 453 HD22 ASN 58 1HD2 ASN 58 8.124 -10.155 -28.133 454 HA PRO 59 HA PRO 59 7.185 -4.055 -23.475 455 HB2 PRO 59 1HB PRO 59 9.150 -2.240 -24.219 456 HB3 PRO 59 2HB PRO 59 9.194 -3.194 -22.732 457 HG2 PRO 59 1HG PRO 59 10.619 -3.621 -25.298 458 HG3 PRO 59 2HG PRO 59 11.160 -3.922 -23.638 459 HD2 PRO 59 1HD PRO 59 10.325 -5.919 -25.306 460 HD3 PRO 59 2HD PRO 59 10.165 -6.002 -23.543 461 H ALA 60 H ALA 60 7.843 -1.564 -24.887 462 HA ALA 60 HA ALA 60 7.263 -0.335 -26.730 463 HB1 ALA 60 1HB ALA 60 7.778 -1.243 -28.734 464 HB2 ALA 60 2HB ALA 60 6.710 -2.623 -28.492 465 HB3 ALA 60 3HB ALA 60 8.322 -2.622 -27.783 466 H ASP 61 H ASP 61 5.353 -3.347 -26.738 467 HA ASP 61 HA ASP 61 2.945 -1.738 -27.245 468 HB2 ASP 61 1HB ASP 61 3.683 -4.014 -28.436 469 HB3 ASP 61 2HB ASP 61 2.800 -4.701 -27.072 470 H LEU 62 H LEU 62 0.945 -3.010 -26.165 471 HA LEU 62 HA LEU 62 1.526 -3.067 -23.267 472 HB2 LEU 62 1HB LEU 62 0.211 -1.087 -24.048 473 HB3 LEU 62 2HB LEU 62 -1.037 -2.188 -24.622 474 HG LEU 62 HG LEU 62 -1.367 -3.041 -22.342 475 HD11 LEU 62 1HD1 LEU 62 -0.153 -1.489 -20.551 476 HD12 LEU 62 2HD1 LEU 62 1.040 -1.338 -21.840 477 HD13 LEU 62 3HD1 LEU 62 0.638 -2.926 -21.193 478 HD21 LEU 62 3HD2 LEU 62 -1.779 -0.277 -23.168 479 HD22 LEU 62 1HD2 LEU 62 -1.655 -0.416 -21.413 480 HD23 LEU 62 2HD2 LEU 62 -2.863 -1.353 -22.289 481 H ASP 63 H ASP 63 -1.666 -3.756 -24.331 482 HA ASP 63 HA ASP 63 -1.540 -6.410 -23.241 483 HB2 ASP 63 1HB ASP 63 -3.881 -5.649 -24.898 484 HB3 ASP 63 2HB ASP 63 -3.814 -6.380 -23.300 Start of MODEL 4 1 H1 MET 1 H MET 1 -0.331 0.681 -2.606 2 HA MET 1 HA MET 1 1.604 1.699 -3.962 3 HB2 MET 1 1HB MET 1 2.559 1.708 -1.096 4 HB3 MET 1 2HB MET 1 3.687 1.504 -2.434 5 HG2 MET 1 1HG MET 1 1.873 3.872 -1.892 6 HG3 MET 1 2HG MET 1 3.635 3.861 -1.962 7 HE1 MET 1 3HE MET 1 4.052 1.999 -4.955 8 HE2 MET 1 1HE MET 1 4.898 2.996 -3.770 9 HE3 MET 1 2HE MET 1 4.693 3.570 -5.423 10 H LEU 2 H LEU 2 2.695 0.019 -4.919 11 HA LEU 2 HA LEU 2 2.656 -2.597 -3.551 12 HB2 LEU 2 1HB LEU 2 0.760 -2.080 -5.240 13 HB3 LEU 2 2HB LEU 2 2.003 -2.355 -6.443 14 HG LEU 2 HG LEU 2 2.415 -4.447 -4.743 15 HD11 LEU 2 1HD1 LEU 2 -0.534 -4.508 -5.109 16 HD12 LEU 2 2HD1 LEU 2 0.074 -3.452 -3.832 17 HD13 LEU 2 3HD1 LEU 2 0.452 -5.174 -3.812 18 HD21 LEU 2 3HD2 LEU 2 0.912 -5.601 -6.597 19 HD22 LEU 2 1HD2 LEU 2 2.456 -4.866 -7.020 20 HD23 LEU 2 2HD2 LEU 2 0.956 -3.991 -7.314 21 H MET 3 H MET 3 4.365 -3.941 -4.029 22 HA MET 3 HA MET 3 6.552 -2.719 -5.527 23 HB2 MET 3 1HB MET 3 6.727 -3.965 -3.211 24 HB3 MET 3 2HB MET 3 6.758 -5.409 -4.223 25 HG2 MET 3 1HG MET 3 8.570 -3.062 -4.783 26 HG3 MET 3 2HG MET 3 9.027 -4.326 -3.644 27 HE1 MET 3 3HE MET 3 10.743 -3.588 -6.236 28 HE2 MET 3 1HE MET 3 11.239 -5.245 -6.608 29 HE3 MET 3 2HE MET 3 11.107 -4.714 -4.933 30 H ILE 4 H ILE 4 6.887 -3.217 -7.605 31 HA ILE 4 HA ILE 4 5.525 -5.588 -8.706 32 HB ILE 4 HB ILE 4 6.628 -3.094 -10.009 33 HG12 ILE 4 1HG1 ILE 4 4.441 -2.918 -8.770 34 HG13 ILE 4 2HG1 ILE 4 4.328 -2.580 -10.497 35 HG21 ILE 4 1HG2 ILE 4 6.571 -5.556 -11.208 36 HG22 ILE 4 2HG2 ILE 4 6.414 -4.026 -12.069 37 HG23 ILE 4 3HG2 ILE 4 4.976 -4.937 -11.617 38 HD11 ILE 4 3HD1 ILE 4 3.491 -5.100 -9.054 39 HD12 ILE 4 1HD1 ILE 4 3.677 -5.029 -10.808 40 HD13 ILE 4 2HD1 ILE 4 2.484 -4.008 -10.007 41 H THR 5 H THR 5 8.570 -3.783 -9.119 42 HA THR 5 HA THR 5 10.137 -6.203 -9.070 43 HB THR 5 HB THR 5 9.086 -6.051 -11.436 44 HG1 THR 5 HG1 THR 5 10.850 -7.348 -11.147 45 HG21 THR 5 3HG2 THR 5 9.441 -3.562 -11.604 46 HG22 THR 5 1HG2 THR 5 10.094 -4.466 -12.965 47 HG23 THR 5 2HG2 THR 5 11.172 -3.872 -11.717 48 H SER 6 H SER 6 12.275 -5.297 -10.447 49 HA SER 6 HA SER 6 12.938 -2.649 -9.453 50 HB2 SER 6 1HB SER 6 14.992 -4.692 -8.952 51 HB3 SER 6 2HB SER 6 14.584 -3.247 -8.038 52 HG SER 6 HG SER 6 13.320 -4.393 -6.824 53 H PHE 7 H PHE 7 14.234 -1.623 -10.849 54 HA PHE 7 HA PHE 7 14.980 -3.164 -13.245 55 HB2 PHE 7 1HB PHE 7 14.363 -0.262 -12.758 56 HB3 PHE 7 2HB PHE 7 15.009 -0.861 -14.280 57 HD1 PHE 7 HD2 PHE 7 13.664 -3.448 -14.586 58 HD2 PHE 7 HD1 PHE 7 12.098 0.264 -13.132 59 HE1 PHE 7 HE2 PHE 7 11.397 -4.137 -15.283 60 HE2 PHE 7 HE1 PHE 7 9.846 -0.414 -13.867 61 HZ PHE 7 HZ PHE 7 9.487 -2.608 -14.939 62 H ALA 8 H ALA 8 16.985 -3.334 -13.932 63 HA ALA 8 HA ALA 8 19.198 -2.932 -12.308 64 HB1 ALA 8 1HB ALA 8 18.963 -3.059 -15.322 65 HB2 ALA 8 2HB ALA 8 19.383 -4.369 -14.221 66 HB3 ALA 8 3HB ALA 8 20.510 -3.036 -14.473 67 H ASN 9 H ASN 9 17.577 -0.802 -14.549 68 HA ASN 9 HA ASN 9 19.387 1.360 -13.732 69 HB2 ASN 9 1HB ASN 9 18.294 0.709 -16.416 70 HB3 ASN 9 2HB ASN 9 18.672 2.370 -16.005 71 HD21 ASN 9 2HD2 ASN 9 20.003 -0.397 -17.350 72 HD22 ASN 9 1HD2 ASN 9 21.643 -0.038 -17.100 73 HA PRO 10 HA PRO 10 15.711 3.457 -12.429 74 HB2 PRO 10 1HB PRO 10 16.657 6.001 -12.402 75 HB3 PRO 10 2HB PRO 10 17.165 4.798 -11.195 76 HG2 PRO 10 1HG PRO 10 18.536 5.634 -13.713 77 HG3 PRO 10 2HG PRO 10 19.205 5.453 -12.082 78 HD2 PRO 10 1HD PRO 10 19.530 3.540 -13.943 79 HD3 PRO 10 2HD PRO 10 19.280 3.120 -12.231 80 H ARG 11 H ARG 11 17.601 4.623 -15.187 81 HA ARG 11 HA ARG 11 15.604 6.180 -16.475 82 HB2 ARG 11 1HB ARG 11 17.628 4.451 -17.918 83 HB3 ARG 11 2HB ARG 11 16.926 5.973 -18.456 84 HG2 ARG 11 1HG ARG 11 18.152 7.196 -16.744 85 HG3 ARG 11 2HG ARG 11 18.776 5.689 -16.067 86 HD2 ARG 11 1HD ARG 11 20.229 5.322 -17.838 87 HD3 ARG 11 2HD ARG 11 19.236 6.215 -18.984 88 HE ARG 11 HE ARG 11 21.375 7.270 -17.414 89 HH11 ARG 11 1HH2 ARG 11 18.207 7.969 -18.629 90 HH12 ARG 11 2HH2 ARG 11 18.469 9.677 -18.740 91 HH21 ARG 11 1HH1 ARG 11 21.757 9.491 -17.596 92 HH22 ARG 11 2HH1 ARG 11 20.499 10.540 -18.168 93 H VAL 12 H VAL 12 16.683 2.872 -16.773 94 HA VAL 12 HA VAL 12 14.836 1.724 -18.479 95 HB VAL 12 HB VAL 12 16.425 0.823 -16.096 96 HG11 VAL 12 1HG1 VAL 12 15.616 -1.432 -16.213 97 HG12 VAL 12 2HG1 VAL 12 14.568 -1.039 -17.575 98 HG13 VAL 12 3HG1 VAL 12 14.222 -0.378 -15.979 99 HG21 VAL 12 3HG2 VAL 12 17.488 -0.627 -17.757 100 HG22 VAL 12 1HG2 VAL 12 17.506 1.055 -18.287 101 HG23 VAL 12 2HG2 VAL 12 16.346 -0.078 -18.982 102 H ALA 13 H ALA 13 14.725 2.371 -15.048 103 HA ALA 13 HA ALA 13 12.189 1.243 -14.548 104 HB1 ALA 13 1HB ALA 13 14.178 1.832 -12.954 105 HB2 ALA 13 2HB ALA 13 12.529 1.990 -12.352 106 HB3 ALA 13 3HB ALA 13 13.419 3.418 -12.879 107 H GLN 14 H GLN 14 13.164 4.653 -14.414 108 HA GLN 14 HA GLN 14 10.613 5.717 -14.257 109 HB2 GLN 14 1HB GLN 14 13.012 6.906 -15.656 110 HB3 GLN 14 2HB GLN 14 11.592 7.794 -15.107 111 HG2 GLN 14 1HG GLN 14 12.163 7.598 -12.867 112 HG3 GLN 14 2HG GLN 14 13.051 6.099 -13.120 113 HE21 GLN 14 2HE2 GLN 14 15.011 6.580 -14.846 114 HE22 GLN 14 1HE2 GLN 14 15.967 7.917 -14.422 115 H ALA 15 H ALA 15 12.450 4.647 -17.067 116 HA ALA 15 HA ALA 15 10.720 5.679 -19.058 117 HB1 ALA 15 1HB ALA 15 11.716 3.913 -20.502 118 HB2 ALA 15 2HB ALA 15 12.493 3.220 -19.077 119 HB3 ALA 15 3HB ALA 15 12.935 4.839 -19.627 120 H PHE 16 H PHE 16 10.893 2.466 -17.519 121 HA PHE 16 HA PHE 16 8.660 1.318 -18.800 122 HB2 PHE 16 1HB PHE 16 10.216 -0.061 -17.542 123 HB3 PHE 16 2HB PHE 16 9.798 0.775 -16.051 124 HD1 PHE 16 HD1 PHE 16 8.013 -0.937 -18.882 125 HD2 PHE 16 HD2 PHE 16 8.243 -0.242 -14.658 126 HE1 PHE 16 HE1 PHE 16 6.260 -2.648 -18.506 127 HE2 PHE 16 HE2 PHE 16 6.499 -1.953 -14.276 128 HZ PHE 16 HZ PHE 16 5.481 -3.138 -16.207 129 H VAL 17 H VAL 17 8.871 2.563 -15.465 130 HA VAL 17 HA VAL 17 6.135 2.474 -14.951 131 HB VAL 17 HB VAL 17 6.555 3.945 -13.106 132 HG11 VAL 17 1HG1 VAL 17 9.215 2.598 -13.499 133 HG12 VAL 17 2HG1 VAL 17 7.754 1.627 -13.349 134 HG13 VAL 17 3HG1 VAL 17 8.238 2.708 -12.040 135 HG21 VAL 17 3HG2 VAL 17 8.785 5.151 -13.007 136 HG22 VAL 17 1HG2 VAL 17 7.640 5.784 -14.191 137 HG23 VAL 17 2HG2 VAL 17 8.977 4.758 -14.715 138 H ASP 18 H ASP 18 8.091 5.017 -16.515 139 HA ASP 18 HA ASP 18 5.982 6.900 -16.725 140 HB2 ASP 18 1HB ASP 18 8.281 7.584 -17.208 141 HB3 ASP 18 2HB ASP 18 8.356 6.452 -18.560 142 H TYR 19 H TYR 19 7.171 4.265 -18.723 143 HA TYR 19 HA TYR 19 5.344 4.495 -20.870 144 HB2 TYR 19 1HB TYR 19 6.956 2.974 -21.464 145 HB3 TYR 19 2HB TYR 19 7.185 2.420 -19.808 146 HD1 TYR 19 HD1 TYR 19 4.779 2.314 -22.634 147 HD2 TYR 19 HD2 TYR 19 6.192 0.412 -19.058 148 HE1 TYR 19 HE1 TYR 19 3.281 0.400 -23.078 149 HE2 TYR 19 HE2 TYR 19 4.691 -1.511 -19.497 150 HH TYR 19 HH TYR 19 3.040 -2.319 -20.782 151 H MET 20 H MET 20 5.342 2.416 -17.975 152 HA MET 20 HA MET 20 2.773 1.328 -18.235 153 HB2 MET 20 1HB MET 20 4.324 2.053 -15.740 154 HB3 MET 20 2HB MET 20 2.888 1.037 -15.767 155 HG2 MET 20 1HG MET 20 4.575 -0.020 -17.749 156 HG3 MET 20 2HG MET 20 5.622 0.322 -16.377 157 HE1 MET 20 3HE MET 20 1.858 -2.228 -16.434 158 HE2 MET 20 1HE MET 20 2.273 -0.828 -17.427 159 HE3 MET 20 2HE MET 20 1.704 -0.607 -15.779 160 H ALA 21 H ALA 21 3.930 4.262 -16.644 161 HA ALA 21 HA ALA 21 1.451 5.244 -15.738 162 HB1 ALA 21 1HB ALA 21 3.971 6.688 -16.594 163 HB2 ALA 21 2HB ALA 21 3.551 6.177 -14.961 164 HB3 ALA 21 3HB ALA 21 2.624 7.451 -15.750 165 H THR 22 H THR 22 3.069 5.271 -18.837 166 HA THR 22 HA THR 22 1.379 7.176 -20.109 167 HB THR 22 HB THR 22 3.657 5.550 -20.710 168 HG1 THR 22 HG1 THR 22 3.123 7.852 -21.116 169 HG21 THR 22 3HG2 THR 22 3.056 4.867 -23.025 170 HG22 THR 22 1HG2 THR 22 1.371 5.244 -22.661 171 HG23 THR 22 2HG2 THR 22 2.199 3.959 -21.782 172 H GLN 23 H GLN 23 1.436 3.716 -19.536 173 HA GLN 23 HA GLN 23 -0.940 3.077 -21.016 174 HB2 GLN 23 1HB GLN 23 0.436 1.620 -18.757 175 HB3 GLN 23 2HB GLN 23 -0.884 0.969 -19.712 176 HG2 GLN 23 1HG GLN 23 1.406 2.020 -21.274 177 HG3 GLN 23 2HG GLN 23 1.744 0.585 -20.306 178 HE21 GLN 23 2HE2 GLN 23 1.382 0.915 -23.321 179 HE22 GLN 23 1HE2 GLN 23 0.202 -0.232 -23.723 180 H GLY 24 H GLY 24 -0.362 4.955 -18.423 181 HA2 GLY 24 1HA GLY 24 -1.854 6.047 -17.028 182 HA3 GLY 24 2HA GLY 24 -3.105 4.889 -17.493 183 H VAL 25 H VAL 25 -0.354 3.248 -16.915 184 HA VAL 25 HA VAL 25 -1.238 2.324 -14.274 185 HB VAL 25 HB VAL 25 1.013 1.226 -15.933 186 HG11 VAL 25 1HG1 VAL 25 -0.814 0.321 -13.746 187 HG12 VAL 25 2HG1 VAL 25 0.933 0.201 -13.861 188 HG13 VAL 25 3HG1 VAL 25 -0.089 -0.867 -14.824 189 HG21 VAL 25 3HG2 VAL 25 -1.124 1.500 -17.323 190 HG22 VAL 25 1HG2 VAL 25 -1.887 0.372 -16.208 191 HG23 VAL 25 2HG2 VAL 25 -0.512 -0.144 -17.182 192 H ILE 26 H ILE 26 -0.507 3.444 -12.702 193 HA ILE 26 HA ILE 26 1.930 4.914 -12.883 194 HB ILE 26 HB ILE 26 0.294 4.528 -10.407 195 HG12 ILE 26 1HG1 ILE 26 -0.776 6.760 -11.416 196 HG13 ILE 26 2HG1 ILE 26 -0.389 5.966 -12.942 197 HG21 ILE 26 1HG2 ILE 26 2.501 5.727 -10.413 198 HG22 ILE 26 2HG2 ILE 26 1.135 6.710 -9.889 199 HG23 ILE 26 3HG2 ILE 26 1.784 6.899 -11.516 200 HD11 ILE 26 3HD1 ILE 26 -1.716 4.305 -10.847 201 HD12 ILE 26 1HD1 ILE 26 -1.915 4.271 -12.601 202 HD13 ILE 26 2HD1 ILE 26 -2.704 5.521 -11.646 203 H LEU 27 H LEU 27 3.795 3.926 -12.715 204 HA LEU 27 HA LEU 27 4.214 1.996 -10.523 205 HB2 LEU 27 1HB LEU 27 5.525 2.330 -13.173 206 HB3 LEU 27 2HB LEU 27 6.524 1.828 -11.816 207 HG LEU 27 HG LEU 27 4.091 0.344 -11.744 208 HD11 LEU 27 1HD1 LEU 27 5.295 0.792 -14.407 209 HD12 LEU 27 2HD1 LEU 27 3.650 0.325 -13.986 210 HD13 LEU 27 3HD1 LEU 27 4.940 -0.872 -13.989 211 HD21 LEU 27 3HD2 LEU 27 6.997 -0.294 -12.280 212 HD22 LEU 27 1HD2 LEU 27 5.768 -1.534 -12.069 213 HD23 LEU 27 2HD2 LEU 27 6.143 -0.433 -10.744 214 H THR 28 H THR 28 6.991 2.450 -10.341 215 HA THR 28 HA THR 28 7.818 5.077 -10.306 216 HB THR 28 HB THR 28 6.415 4.252 -7.765 217 HG1 THR 28 HG1 THR 28 5.380 5.555 -9.442 218 HG21 THR 28 3HG2 THR 28 8.584 6.322 -8.128 219 HG22 THR 28 1HG2 THR 28 8.579 4.960 -7.007 220 HG23 THR 28 2HG2 THR 28 7.476 6.312 -6.762 221 H ILE 29 H ILE 29 9.857 5.335 -9.186 222 HA ILE 29 HA ILE 29 11.161 2.749 -8.731 223 HB ILE 29 HB ILE 29 12.826 5.176 -8.634 224 HG12 ILE 29 1HG1 ILE 29 11.113 5.914 -10.290 225 HG13 ILE 29 2HG1 ILE 29 12.673 5.635 -11.054 226 HG21 ILE 29 1HG2 ILE 29 13.714 2.886 -8.789 227 HG22 ILE 29 2HG2 ILE 29 14.166 3.829 -10.211 228 HG23 ILE 29 3HG2 ILE 29 12.858 2.647 -10.317 229 HD11 ILE 29 3HD1 ILE 29 10.130 4.317 -11.569 230 HD12 ILE 29 1HD1 ILE 29 11.372 3.136 -11.161 231 HD13 ILE 29 2HD1 ILE 29 11.618 4.250 -12.501 232 H GLN 30 H GLN 30 11.574 2.086 -6.720 233 HA GLN 30 HA GLN 30 11.087 3.940 -4.506 234 HB2 GLN 30 1HB GLN 30 10.842 1.052 -4.944 235 HB3 GLN 30 2HB GLN 30 11.570 1.462 -3.394 236 HG2 GLN 30 1HG GLN 30 8.989 1.302 -3.494 237 HG3 GLN 30 2HG GLN 30 9.679 2.714 -2.708 238 HE21 GLN 30 2HE2 GLN 30 8.299 4.430 -3.253 239 HE22 GLN 30 1HE2 GLN 30 7.781 4.777 -4.831 240 H GLN 31 H GLN 31 12.515 4.253 -2.802 241 HA GLN 31 HA GLN 31 15.228 4.546 -3.476 242 HB2 GLN 31 1HB GLN 31 13.953 5.814 -1.701 243 HB3 GLN 31 2HB GLN 31 14.097 4.388 -0.672 244 HG2 GLN 31 1HG GLN 31 16.228 4.896 -0.152 245 HG3 GLN 31 2HG GLN 31 16.657 5.077 -1.852 246 HE21 GLN 31 2HE2 GLN 31 15.245 7.237 -2.721 247 HE22 GLN 31 1HE2 GLN 31 15.597 8.616 -1.795 248 H HIS 32 H HIS 32 16.867 3.158 -3.491 249 HA HIS 32 HA HIS 32 17.459 1.172 -1.625 250 HB2 HIS 32 1HB HIS 32 15.337 0.399 -3.389 251 HB3 HIS 32 2HB HIS 32 16.768 -0.519 -3.836 252 HD1 HIS 32 HD1 HIS 32 14.852 -2.351 -2.775 253 HD2 HIS 32 HD2 HIS 32 17.144 -0.068 -0.138 254 HE1 HIS 32 HE1 HIS 32 14.761 -3.531 -0.527 255 H ASN 33 H ASN 33 19.184 -0.367 -2.528 256 HA ASN 33 HA ASN 33 20.879 1.136 -4.330 257 HB2 ASN 33 1HB ASN 33 21.686 -0.336 -2.366 258 HB3 ASN 33 2HB ASN 33 21.397 -1.697 -3.448 259 HD21 ASN 33 2HD2 ASN 33 23.533 1.001 -2.790 260 HD22 ASN 33 1HD2 ASN 33 24.640 0.676 -4.035 261 H GLN 34 H GLN 34 18.460 0.542 -5.452 262 HA GLN 34 HA GLN 34 19.146 -0.587 -7.936 263 HB2 GLN 34 1HB GLN 34 17.455 -2.547 -7.712 264 HB3 GLN 34 2HB GLN 34 19.069 -2.775 -7.038 265 HG2 GLN 34 1HG GLN 34 18.210 -2.102 -4.801 266 HG3 GLN 34 2HG GLN 34 16.593 -1.943 -5.490 267 HE21 GLN 34 2HE2 GLN 34 15.333 -3.818 -5.556 268 HE22 GLN 34 1HE2 GLN 34 15.933 -5.383 -5.268 269 H SER 35 H SER 35 17.432 -0.302 -9.431 270 HA SER 35 HA SER 35 15.542 1.707 -8.653 271 HB2 SER 35 1HB SER 35 15.142 0.348 -11.226 272 HB3 SER 35 2HB SER 35 15.282 2.064 -10.863 273 HG SER 35 HG SER 35 17.248 0.148 -11.408 274 H ASP 36 H ASP 36 14.664 0.141 -6.900 275 HA ASP 36 HA ASP 36 12.963 -1.995 -7.682 276 HB2 ASP 36 1HB ASP 36 13.036 -0.231 -5.254 277 HB3 ASP 36 2HB ASP 36 11.723 -1.378 -5.496 278 H VAL 37 H VAL 37 11.162 -1.953 -8.762 279 HA VAL 37 HA VAL 37 9.876 0.641 -9.191 280 HB VAL 37 HB VAL 37 8.970 -1.519 -10.912 281 HG11 VAL 37 1HG1 VAL 37 9.172 1.211 -10.979 282 HG12 VAL 37 2HG1 VAL 37 8.936 0.207 -12.400 283 HG13 VAL 37 3HG1 VAL 37 10.553 0.742 -11.963 284 HG21 VAL 37 3HG2 VAL 37 11.009 -1.995 -12.040 285 HG22 VAL 37 1HG2 VAL 37 11.364 -2.230 -10.344 286 HG23 VAL 37 2HG2 VAL 37 11.888 -0.760 -11.152 287 H TRP 38 H TRP 38 8.165 1.034 -8.051 288 HA TRP 38 HA TRP 38 6.490 -1.206 -7.130 289 HB2 TRP 38 1HB TRP 38 6.920 1.606 -6.155 290 HB3 TRP 38 2HB TRP 38 5.495 0.691 -5.690 291 HD1 TRP 38 HD1 TRP 38 9.269 -0.281 -5.903 292 HE1 TRP 38 HE1 TRP 38 9.864 -1.428 -3.660 293 HE3 TRP 38 HE3 TRP 38 4.787 0.040 -3.596 294 HZ2 TRP 38 HZ2 TRP 38 8.543 -2.134 -1.189 295 HZ3 TRP 38 HZ3 TRP 38 4.441 -0.858 -1.352 296 HH2 TRP 38 HH2 TRP 38 6.304 -1.947 -0.110 297 H LEU 39 H LEU 39 4.193 -0.980 -7.229 298 HA LEU 39 HA LEU 39 3.303 0.671 -9.504 299 HB2 LEU 39 1HB LEU 39 2.855 -1.658 -9.943 300 HB3 LEU 39 2HB LEU 39 2.123 -1.864 -8.354 301 HG LEU 39 HG LEU 39 0.402 -0.140 -9.022 302 HD11 LEU 39 1HD1 LEU 39 0.610 0.988 -10.962 303 HD12 LEU 39 2HD1 LEU 39 0.722 -0.519 -11.862 304 HD13 LEU 39 3HD1 LEU 39 2.178 0.222 -11.205 305 HD21 LEU 39 3HD2 LEU 39 -0.832 -1.699 -10.456 306 HD22 LEU 39 1HD2 LEU 39 -0.023 -2.555 -9.150 307 HD23 LEU 39 2HD2 LEU 39 0.652 -2.580 -10.783 308 H ALA 40 H ALA 40 1.693 2.062 -9.229 309 HA ALA 40 HA ALA 40 0.785 2.510 -6.454 310 HB1 ALA 40 1HB ALA 40 -0.081 4.643 -7.955 311 HB2 ALA 40 2HB ALA 40 1.434 4.220 -8.755 312 HB3 ALA 40 3HB ALA 40 1.422 4.606 -7.035 313 H ASP 41 H ASP 41 -0.198 2.183 -9.802 314 HA ASP 41 HA ASP 41 -3.027 2.192 -9.277 315 HB2 ASP 41 1HB ASP 41 -1.669 2.601 -11.545 316 HB3 ASP 41 2HB ASP 41 -1.861 0.867 -11.701 317 H GLU 42 H GLU 42 -2.164 0.485 -7.428 318 HA GLU 42 HA GLU 42 -1.512 -2.063 -7.851 319 HB2 GLU 42 1HB GLU 42 -3.453 -0.852 -5.945 320 HB3 GLU 42 2HB GLU 42 -3.274 -2.613 -5.992 321 HG2 GLU 42 1HG GLU 42 -0.993 -2.527 -5.478 322 HG3 GLU 42 2HG GLU 42 -0.843 -0.837 -5.945 323 H SER 43 H SER 43 -4.526 -0.680 -8.854 324 HA SER 43 HA SER 43 -6.042 -2.984 -9.388 325 HB2 SER 43 1HB SER 43 -6.143 -0.996 -11.511 326 HB3 SER 43 2HB SER 43 -7.392 -1.451 -10.352 327 HG SER 43 HG SER 43 -5.486 0.590 -10.281 328 H GLN 44 H GLN 44 -3.261 -1.626 -10.768 329 HA GLN 44 HA GLN 44 -3.260 -3.266 -13.179 330 HB2 GLN 44 1HB GLN 44 -1.670 -0.909 -12.215 331 HB3 GLN 44 2HB GLN 44 -1.268 -1.792 -13.666 332 HG2 GLN 44 1HG GLN 44 -3.819 -0.298 -13.096 333 HG3 GLN 44 2HG GLN 44 -2.603 0.118 -14.293 334 HE21 GLN 44 2HE2 GLN 44 -5.301 -0.255 -15.099 335 HE22 GLN 44 1HE2 GLN 44 -5.400 -1.672 -16.030 336 H ALA 45 H ALA 45 -2.093 -3.436 -10.037 337 HA ALA 45 HA ALA 45 0.501 -4.188 -9.970 338 HB1 ALA 45 1HB ALA 45 -1.847 -5.657 -8.789 339 HB2 ALA 45 2HB ALA 45 -0.869 -4.412 -8.014 340 HB3 ALA 45 3HB ALA 45 -0.168 -5.994 -8.371 341 H GLU 46 H GLU 46 -1.955 -6.604 -10.431 342 HA GLU 46 HA GLU 46 -0.476 -8.743 -11.315 343 HB2 GLU 46 1HB GLU 46 -2.594 -9.402 -12.457 344 HB3 GLU 46 2HB GLU 46 -2.852 -8.832 -10.809 345 HG2 GLU 46 1HG GLU 46 -3.112 -6.474 -11.990 346 HG3 GLU 46 2HG GLU 46 -3.477 -7.452 -13.409 347 H ARG 47 H ARG 47 -1.796 -6.071 -13.141 348 HA ARG 47 HA ARG 47 -1.078 -6.900 -15.737 349 HB2 ARG 47 1HB ARG 47 -2.605 -4.929 -14.837 350 HB3 ARG 47 2HB ARG 47 -1.102 -4.025 -14.961 351 HG2 ARG 47 1HG ARG 47 -1.214 -5.444 -17.348 352 HG3 ARG 47 2HG ARG 47 -2.882 -4.929 -17.076 353 HD2 ARG 47 1HD ARG 47 -1.442 -2.721 -16.301 354 HD3 ARG 47 2HD ARG 47 -0.509 -3.329 -17.657 355 HE ARG 47 HE ARG 47 -3.430 -2.916 -17.948 356 HH11 ARG 47 1HH2 ARG 47 -0.147 -2.208 -18.910 357 HH12 ARG 47 2HH2 ARG 47 -0.639 -1.229 -20.262 358 HH21 ARG 47 1HH1 ARG 47 -4.031 -1.620 -19.699 359 HH22 ARG 47 2HH1 ARG 47 -2.819 -0.874 -20.686 360 H VAL 48 H VAL 48 0.264 -4.327 -13.840 361 HA VAL 48 HA VAL 48 2.614 -3.891 -15.203 362 HB VAL 48 HB VAL 48 2.057 -3.745 -12.237 363 HG11 VAL 48 1HG1 VAL 48 3.652 -1.711 -12.739 364 HG12 VAL 48 2HG1 VAL 48 4.175 -2.737 -14.073 365 HG13 VAL 48 3HG1 VAL 48 4.314 -3.307 -12.417 366 HG21 VAL 48 3HG2 VAL 48 0.559 -2.189 -12.826 367 HG22 VAL 48 1HG2 VAL 48 0.894 -2.498 -14.529 368 HG23 VAL 48 2HG2 VAL 48 1.836 -1.300 -13.650 369 H ARG 49 H ARG 49 2.137 -5.900 -12.338 370 HA ARG 49 HA ARG 49 4.677 -6.972 -12.167 371 HB2 ARG 49 1HB ARG 49 2.057 -7.674 -11.125 372 HB3 ARG 49 2HB ARG 49 2.956 -9.120 -11.561 373 HG2 ARG 49 1HG ARG 49 4.909 -7.810 -10.300 374 HG3 ARG 49 2HG ARG 49 3.514 -7.102 -9.469 375 HD2 ARG 49 1HD ARG 49 3.960 -9.058 -8.243 376 HD3 ARG 49 2HD ARG 49 2.622 -9.492 -9.306 377 HE ARG 49 HE ARG 49 4.590 -10.311 -10.832 378 HH11 ARG 49 1HH2 ARG 49 4.322 -10.557 -7.377 379 HH12 ARG 49 2HH2 ARG 49 5.334 -11.957 -7.267 380 HH21 ARG 49 1HH1 ARG 49 5.866 -12.148 -10.703 381 HH22 ARG 49 2HH1 ARG 49 6.205 -12.873 -9.163 382 H ALA 50 H ALA 50 1.983 -7.841 -14.222 383 HA ALA 50 HA ALA 50 3.252 -10.164 -15.373 384 HB1 ALA 50 1HB ALA 50 0.861 -10.169 -15.298 385 HB2 ALA 50 2HB ALA 50 1.295 -9.969 -16.993 386 HB3 ALA 50 3HB ALA 50 0.763 -8.581 -16.051 387 H GLU 51 H GLU 51 2.442 -6.882 -16.443 388 HA GLU 51 HA GLU 51 3.325 -6.683 -18.992 389 HB2 GLU 51 1HB GLU 51 3.909 -4.855 -16.658 390 HB3 GLU 51 2HB GLU 51 4.307 -4.431 -18.310 391 HG2 GLU 51 1HG GLU 51 1.632 -5.344 -18.384 392 HG3 GLU 51 2HG GLU 51 1.746 -4.293 -16.976 393 H LEU 52 H LEU 52 5.486 -6.241 -16.243 394 HA LEU 52 HA LEU 52 7.869 -6.010 -17.372 395 HB2 LEU 52 1HB LEU 52 7.195 -7.782 -15.053 396 HB3 LEU 52 2HB LEU 52 8.817 -7.179 -15.436 397 HG LEU 52 HG LEU 52 6.356 -5.556 -14.756 398 HD11 LEU 52 1HD1 LEU 52 9.091 -5.893 -13.583 399 HD12 LEU 52 2HD1 LEU 52 7.531 -6.143 -12.809 400 HD13 LEU 52 3HD1 LEU 52 8.075 -4.512 -13.201 401 HD21 LEU 52 3HD2 LEU 52 7.937 -3.594 -15.188 402 HD22 LEU 52 1HD2 LEU 52 7.294 -4.392 -16.614 403 HD23 LEU 52 2HD2 LEU 52 8.943 -4.718 -16.081 404 H ALA 53 H ALA 53 7.267 -9.371 -16.370 405 HA ALA 53 HA ALA 53 9.150 -10.523 -17.948 406 HB1 ALA 53 1HB ALA 53 6.413 -11.501 -17.216 407 HB2 ALA 53 2HB ALA 53 7.993 -12.053 -16.649 408 HB3 ALA 53 3HB ALA 53 7.446 -12.462 -18.278 409 H ARG 54 H ARG 54 6.352 -8.877 -19.089 410 HA ARG 54 HA ARG 54 6.714 -9.969 -21.819 411 HB2 ARG 54 1HB ARG 54 4.646 -7.989 -20.830 412 HB3 ARG 54 2HB ARG 54 4.660 -8.827 -22.378 413 HG2 ARG 54 1HG ARG 54 3.929 -10.797 -21.486 414 HG3 ARG 54 2HG ARG 54 4.809 -10.567 -19.978 415 HD2 ARG 54 1HD ARG 54 3.169 -8.938 -19.221 416 HD3 ARG 54 2HD ARG 54 2.308 -9.037 -20.750 417 HE ARG 54 HE ARG 54 2.085 -10.857 -18.535 418 HH11 ARG 54 1HH2 ARG 54 2.135 -10.702 -21.986 419 HH12 ARG 54 2HH2 ARG 54 0.914 -11.912 -22.217 420 HH21 ARG 54 1HH1 ARG 54 0.495 -12.456 -18.798 421 HH22 ARG 54 2HH1 ARG 54 -0.024 -12.904 -20.391 422 H PHE 55 H PHE 55 6.735 -7.055 -19.932 423 HA PHE 55 HA PHE 55 7.530 -5.142 -21.804 424 HB2 PHE 55 1HB PHE 55 6.776 -4.173 -19.912 425 HB3 PHE 55 2HB PHE 55 7.384 -5.463 -18.911 426 HD1 PHE 55 HD1 PHE 55 8.314 -2.415 -20.749 427 HD2 PHE 55 HD2 PHE 55 9.437 -5.327 -17.830 428 HE1 PHE 55 HE1 PHE 55 10.225 -0.987 -20.044 429 HE2 PHE 55 HE2 PHE 55 11.343 -3.926 -17.124 430 HZ PHE 55 HZ PHE 55 11.747 -1.741 -18.239 431 H LEU 56 H LEU 56 9.238 -7.505 -20.033 432 HA LEU 56 HA LEU 56 11.841 -6.354 -20.388 433 HB2 LEU 56 1HB LEU 56 11.018 -9.138 -19.560 434 HB3 LEU 56 2HB LEU 56 12.562 -8.336 -19.222 435 HG LEU 56 HG LEU 56 9.943 -7.116 -18.439 436 HD11 LEU 56 1HD1 LEU 56 10.825 -9.510 -17.469 437 HD12 LEU 56 2HD1 LEU 56 9.730 -8.405 -16.651 438 HD13 LEU 56 3HD1 LEU 56 11.451 -8.349 -16.307 439 HD21 LEU 56 3HD2 LEU 56 11.780 -5.606 -18.533 440 HD22 LEU 56 1HD2 LEU 56 12.784 -6.704 -17.596 441 HD23 LEU 56 2HD2 LEU 56 11.395 -5.924 -16.843 442 H GLU 57 H GLU 57 10.398 -9.367 -21.577 443 HA GLU 57 HA GLU 57 12.400 -9.476 -23.704 444 HB2 GLU 57 1HB GLU 57 10.631 -11.578 -24.076 445 HB3 GLU 57 2HB GLU 57 12.183 -11.667 -23.252 446 HG2 GLU 57 1HG GLU 57 10.992 -11.059 -21.103 447 HG3 GLU 57 2HG GLU 57 9.478 -11.150 -21.996 448 H ASN 58 H ASN 58 9.462 -7.987 -23.252 449 HA ASN 58 HA ASN 58 9.098 -7.813 -26.153 450 HB2 ASN 58 1HB ASN 58 7.733 -9.787 -24.747 451 HB3 ASN 58 2HB ASN 58 6.543 -8.511 -24.991 452 HD21 ASN 58 2HD2 ASN 58 8.000 -11.178 -26.501 453 HD22 ASN 58 1HD2 ASN 58 7.569 -10.812 -28.101 454 HA PRO 59 HA PRO 59 7.444 -4.204 -23.566 455 HB2 PRO 59 1HB PRO 59 9.335 -2.355 -24.423 456 HB3 PRO 59 2HB PRO 59 9.426 -3.228 -22.884 457 HG2 PRO 59 1HG PRO 59 10.845 -3.745 -25.441 458 HG3 PRO 59 2HG PRO 59 11.405 -3.949 -23.771 459 HD2 PRO 59 1HD PRO 59 10.619 -6.047 -25.332 460 HD3 PRO 59 2HD PRO 59 10.453 -6.050 -23.567 461 H ALA 60 H ALA 60 7.520 -1.758 -24.929 462 HA ALA 60 HA ALA 60 6.757 -0.674 -26.820 463 HB1 ALA 60 1HB ALA 60 7.094 -3.127 -28.494 464 HB2 ALA 60 2HB ALA 60 8.541 -2.383 -27.817 465 HB3 ALA 60 3HB ALA 60 7.483 -1.451 -28.874 466 H ASP 61 H ASP 61 5.782 -4.096 -26.797 467 HA ASP 61 HA ASP 61 2.995 -3.243 -27.310 468 HB2 ASP 61 1HB ASP 61 4.246 -4.852 -28.940 469 HB3 ASP 61 2HB ASP 61 3.992 -6.059 -27.680 470 H LEU 62 H LEU 62 1.497 -5.144 -26.409 471 HA LEU 62 HA LEU 62 2.422 -5.954 -23.749 472 HB2 LEU 62 1HB LEU 62 0.521 -3.848 -24.311 473 HB3 LEU 62 2HB LEU 62 -0.251 -5.147 -23.408 474 HG LEU 62 HG LEU 62 2.322 -3.747 -22.635 475 HD11 LEU 62 1HD1 LEU 62 0.023 -2.546 -22.468 476 HD12 LEU 62 2HD1 LEU 62 1.080 -2.548 -21.057 477 HD13 LEU 62 3HD1 LEU 62 -0.283 -3.665 -21.138 478 HD21 LEU 62 3HD2 LEU 62 2.539 -5.229 -20.898 479 HD22 LEU 62 1HD2 LEU 62 1.659 -6.300 -21.983 480 HD23 LEU 62 2HD2 LEU 62 0.799 -5.432 -20.715 481 H ASP 63 H ASP 63 0.129 -6.998 -22.779 482 HA ASP 63 HA ASP 63 -0.932 -8.825 -24.815 483 HB2 ASP 63 1HB ASP 63 1.094 -9.654 -23.229 484 HB3 ASP 63 2HB ASP 63 -0.278 -10.023 -22.188 Start of MODEL 5 1 H1 MET 1 H MET 1 -0.454 0.973 -2.730 2 HA MET 1 HA MET 1 1.540 2.089 -4.024 3 HB2 MET 1 1HB MET 1 2.073 2.494 -1.129 4 HB3 MET 1 2HB MET 1 3.408 1.809 -2.052 5 HG2 MET 1 1HG MET 1 2.080 4.044 -3.424 6 HG3 MET 1 2HG MET 1 2.793 4.500 -1.878 7 HE1 MET 1 3HE MET 1 4.079 1.762 -4.709 8 HE2 MET 1 1HE MET 1 4.732 3.068 -5.710 9 HE3 MET 1 2HE MET 1 3.038 3.080 -5.242 10 H LEU 2 H LEU 2 2.435 0.330 -5.001 11 HA LEU 2 HA LEU 2 2.513 -2.199 -3.464 12 HB2 LEU 2 1HB LEU 2 0.634 -1.800 -5.221 13 HB3 LEU 2 2HB LEU 2 1.903 -2.177 -6.372 14 HG LEU 2 HG LEU 2 2.264 -4.110 -4.473 15 HD11 LEU 2 1HD1 LEU 2 -0.676 -4.152 -4.934 16 HD12 LEU 2 2HD1 LEU 2 -0.067 -3.059 -3.695 17 HD13 LEU 2 3HD1 LEU 2 0.262 -4.787 -3.582 18 HD21 LEU 2 3HD2 LEU 2 1.082 -3.834 -7.169 19 HD22 LEU 2 1HD2 LEU 2 0.659 -5.317 -6.315 20 HD23 LEU 2 2HD2 LEU 2 2.355 -4.916 -6.599 21 H MET 3 H MET 3 4.140 -3.656 -3.971 22 HA MET 3 HA MET 3 6.424 -2.503 -5.386 23 HB2 MET 3 1HB MET 3 6.467 -3.755 -3.068 24 HB3 MET 3 2HB MET 3 6.477 -5.205 -4.073 25 HG2 MET 3 1HG MET 3 8.381 -2.946 -4.655 26 HG3 MET 3 2HG MET 3 8.766 -4.116 -3.398 27 HE1 MET 3 3HE MET 3 10.898 -4.934 -6.651 28 HE2 MET 3 1HE MET 3 10.936 -4.294 -5.002 29 HE3 MET 3 2HE MET 3 10.214 -3.353 -6.302 30 H ILE 4 H ILE 4 6.829 -3.018 -7.451 31 HA ILE 4 HA ILE 4 5.361 -5.276 -8.643 32 HB ILE 4 HB ILE 4 6.699 -2.841 -9.826 33 HG12 ILE 4 1HG1 ILE 4 4.487 -2.497 -8.809 34 HG13 ILE 4 2HG1 ILE 4 4.420 -2.315 -10.558 35 HG21 ILE 4 1HG2 ILE 4 6.391 -3.639 -11.980 36 HG22 ILE 4 2HG2 ILE 4 5.177 -4.820 -11.487 37 HG23 ILE 4 3HG2 ILE 4 6.877 -5.108 -11.144 38 HD11 ILE 4 3HD1 ILE 4 3.793 -4.848 -10.555 39 HD12 ILE 4 1HD1 ILE 4 2.558 -3.675 -10.109 40 HD13 ILE 4 2HD1 ILE 4 3.405 -4.576 -8.859 41 H THR 5 H THR 5 8.542 -3.703 -8.967 42 HA THR 5 HA THR 5 9.969 -6.181 -8.789 43 HB THR 5 HB THR 5 8.805 -6.124 -11.181 44 HG1 THR 5 HG1 THR 5 10.421 -7.610 -10.654 45 HG21 THR 5 3HG2 THR 5 11.080 -4.798 -12.304 46 HG22 THR 5 1HG2 THR 5 10.251 -3.700 -11.202 47 HG23 THR 5 2HG2 THR 5 9.366 -4.457 -12.516 48 H SER 6 H SER 6 12.177 -5.499 -10.254 49 HA SER 6 HA SER 6 12.808 -2.751 -9.543 50 HB2 SER 6 1HB SER 6 15.031 -3.515 -8.651 51 HB3 SER 6 2HB SER 6 13.633 -3.783 -7.617 52 HG SER 6 HG SER 6 13.595 -5.953 -8.698 53 H PHE 7 H PHE 7 14.284 -1.834 -10.839 54 HA PHE 7 HA PHE 7 14.842 -3.341 -13.316 55 HB2 PHE 7 1HB PHE 7 14.441 -0.451 -12.612 56 HB3 PHE 7 2HB PHE 7 15.150 -0.944 -14.135 57 HD1 PHE 7 HD1 PHE 7 12.392 -2.579 -12.153 58 HD2 PHE 7 HD2 PHE 7 13.475 -0.527 -15.750 59 HE1 PHE 7 HE1 PHE 7 10.136 -2.956 -13.068 60 HE2 PHE 7 HE2 PHE 7 11.231 -0.965 -16.644 61 HZ PHE 7 HZ PHE 7 9.564 -2.155 -15.312 62 H ALA 8 H ALA 8 16.877 -3.742 -13.955 63 HA ALA 8 HA ALA 8 19.088 -3.576 -12.284 64 HB1 ALA 8 1HB ALA 8 19.193 -4.972 -14.248 65 HB2 ALA 8 2HB ALA 8 20.448 -3.743 -14.407 66 HB3 ALA 8 3HB ALA 8 18.942 -3.586 -15.308 67 H ASN 9 H ASN 9 17.753 -1.313 -14.539 68 HA ASN 9 HA ASN 9 19.661 0.753 -13.631 69 HB2 ASN 9 1HB ASN 9 18.692 0.016 -16.319 70 HB3 ASN 9 2HB ASN 9 18.625 1.734 -15.959 71 HD21 ASN 9 2HD2 ASN 9 20.536 -0.116 -17.647 72 HD22 ASN 9 1HD2 ASN 9 22.075 0.414 -17.169 73 HA PRO 10 HA PRO 10 15.979 2.924 -12.473 74 HB2 PRO 10 1HB PRO 10 16.807 5.480 -12.524 75 HB3 PRO 10 2HB PRO 10 17.516 4.319 -11.379 76 HG2 PRO 10 1HG PRO 10 18.572 5.273 -13.998 77 HG3 PRO 10 2HG PRO 10 19.412 5.063 -12.454 78 HD2 PRO 10 1HD PRO 10 19.519 3.229 -14.501 79 HD3 PRO 10 2HD PRO 10 19.730 2.807 -12.784 80 H ARG 11 H ARG 11 17.726 4.296 -15.248 81 HA ARG 11 HA ARG 11 15.759 5.752 -16.498 82 HB2 ARG 11 1HB ARG 11 17.511 3.917 -18.109 83 HB3 ARG 11 2HB ARG 11 16.990 5.556 -18.483 84 HG2 ARG 11 1HG ARG 11 18.357 5.846 -16.083 85 HG3 ARG 11 2HG ARG 11 19.310 4.648 -16.963 86 HD2 ARG 11 1HD ARG 11 20.039 6.180 -18.440 87 HD3 ARG 11 2HD ARG 11 18.413 6.806 -18.698 88 HE ARG 11 HE ARG 11 19.762 7.603 -16.215 89 HH11 ARG 11 1HH2 ARG 11 18.734 8.345 -19.450 90 HH12 ARG 11 2HH2 ARG 11 18.979 10.047 -19.280 91 HH21 ARG 11 1HH1 ARG 11 19.979 9.856 -15.974 92 HH22 ARG 11 2HH1 ARG 11 19.640 10.901 -17.314 93 H VAL 12 H VAL 12 16.451 2.296 -17.023 94 HA VAL 12 HA VAL 12 14.245 1.728 -18.637 95 HB VAL 12 HB VAL 12 14.507 -0.603 -17.920 96 HG11 VAL 12 1HG1 VAL 12 17.017 0.985 -18.378 97 HG12 VAL 12 2HG1 VAL 12 16.112 -0.011 -19.521 98 HG13 VAL 12 3HG1 VAL 12 17.045 -0.772 -18.235 99 HG21 VAL 12 3HG2 VAL 12 15.458 -1.260 -15.968 100 HG22 VAL 12 1HG2 VAL 12 15.127 0.385 -15.453 101 HG23 VAL 12 2HG2 VAL 12 16.718 -0.037 -16.052 102 H ALA 13 H ALA 13 14.586 2.094 -15.185 103 HA ALA 13 HA ALA 13 12.054 1.045 -14.439 104 HB1 ALA 13 1HB ALA 13 14.216 1.665 -13.020 105 HB2 ALA 13 2HB ALA 13 12.614 1.723 -12.293 106 HB3 ALA 13 3HB ALA 13 13.384 3.209 -12.841 107 H GLN 14 H GLN 14 13.228 4.405 -14.341 108 HA GLN 14 HA GLN 14 10.738 5.633 -14.098 109 HB2 GLN 14 1HB GLN 14 12.655 7.143 -15.763 110 HB3 GLN 14 2HB GLN 14 11.806 7.626 -14.303 111 HG2 GLN 14 1HG GLN 14 13.925 5.590 -13.921 112 HG3 GLN 14 2HG GLN 14 14.486 7.163 -14.408 113 HE21 GLN 14 2HE2 GLN 14 14.598 5.622 -11.793 114 HE22 GLN 14 1HE2 GLN 14 13.990 6.712 -10.645 115 H ALA 15 H ALA 15 12.572 4.766 -17.018 116 HA ALA 15 HA ALA 15 10.775 5.849 -18.909 117 HB1 ALA 15 1HB ALA 15 13.092 5.063 -19.425 118 HB2 ALA 15 2HB ALA 15 11.878 4.416 -20.529 119 HB3 ALA 15 3HB ALA 15 12.529 3.398 -19.244 120 H PHE 16 H PHE 16 10.900 2.708 -17.300 121 HA PHE 16 HA PHE 16 8.779 1.510 -18.799 122 HB2 PHE 16 1HB PHE 16 10.279 0.067 -17.664 123 HB3 PHE 16 2HB PHE 16 10.024 0.875 -16.119 124 HD1 PHE 16 HD1 PHE 16 8.118 -0.952 -18.791 125 HD2 PHE 16 HD2 PHE 16 8.467 0.018 -14.624 126 HE1 PHE 16 HE1 PHE 16 6.357 -2.616 -18.255 127 HE2 PHE 16 HE2 PHE 16 6.710 -1.659 -14.094 128 HZ PHE 16 HZ PHE 16 5.641 -2.953 -15.912 129 H VAL 17 H VAL 17 8.916 2.660 -15.428 130 HA VAL 17 HA VAL 17 6.173 2.479 -14.951 131 HB VAL 17 HB VAL 17 6.552 3.977 -13.093 132 HG11 VAL 17 1HG1 VAL 17 8.181 2.712 -11.995 133 HG12 VAL 17 2HG1 VAL 17 9.236 2.676 -13.401 134 HG13 VAL 17 3HG1 VAL 17 7.805 1.653 -13.356 135 HG21 VAL 17 3HG2 VAL 17 9.034 4.739 -14.632 136 HG22 VAL 17 1HG2 VAL 17 8.763 5.183 -12.949 137 HG23 VAL 17 2HG2 VAL 17 7.683 5.793 -14.205 138 H ASP 18 H ASP 18 8.146 5.063 -16.377 139 HA ASP 18 HA ASP 18 6.090 6.971 -16.678 140 HB2 ASP 18 1HB ASP 18 8.369 7.670 -17.095 141 HB3 ASP 18 2HB ASP 18 8.569 6.441 -18.342 142 H TYR 19 H TYR 19 7.297 4.345 -18.684 143 HA TYR 19 HA TYR 19 5.529 4.630 -20.863 144 HB2 TYR 19 1HB TYR 19 7.086 3.071 -21.469 145 HB3 TYR 19 2HB TYR 19 7.344 2.550 -19.809 146 HD1 TYR 19 HD1 TYR 19 4.643 2.537 -22.372 147 HD2 TYR 19 HD2 TYR 19 6.629 0.399 -19.236 148 HE1 TYR 19 HE1 TYR 19 3.142 0.614 -22.756 149 HE2 TYR 19 HE2 TYR 19 5.132 -1.533 -19.617 150 HH TYR 19 HH TYR 19 3.246 -1.887 -22.375 151 H MET 20 H MET 20 5.417 2.367 -18.110 152 HA MET 20 HA MET 20 2.867 1.351 -18.508 153 HB2 MET 20 1HB MET 20 4.308 1.910 -15.921 154 HB3 MET 20 2HB MET 20 2.872 0.900 -16.078 155 HG2 MET 20 1HG MET 20 5.414 0.414 -17.641 156 HG3 MET 20 2HG MET 20 5.056 -0.379 -16.121 157 HE1 MET 20 3HE MET 20 2.580 -2.714 -16.381 158 HE2 MET 20 1HE MET 20 1.588 -1.272 -16.596 159 HE3 MET 20 2HE MET 20 3.003 -1.221 -15.547 160 H ALA 21 H ALA 21 3.953 4.219 -16.788 161 HA ALA 21 HA ALA 21 1.467 5.138 -15.848 162 HB1 ALA 21 1HB ALA 21 3.358 6.208 -14.950 163 HB2 ALA 21 2HB ALA 21 2.684 7.421 -16.039 164 HB3 ALA 21 3HB ALA 21 4.076 6.465 -16.538 165 H THR 22 H THR 22 3.116 5.336 -18.939 166 HA THR 22 HA THR 22 1.384 7.224 -20.173 167 HB THR 22 HB THR 22 3.726 5.721 -20.813 168 HG1 THR 22 HG1 THR 22 3.554 7.859 -21.311 169 HG21 THR 22 3HG2 THR 22 3.184 4.976 -23.106 170 HG22 THR 22 1HG2 THR 22 1.478 5.294 -22.791 171 HG23 THR 22 2HG2 THR 22 2.330 4.055 -21.873 172 H GLN 23 H GLN 23 1.456 3.790 -19.598 173 HA GLN 23 HA GLN 23 -0.873 3.152 -21.185 174 HB2 GLN 23 1HB GLN 23 0.497 1.565 -19.017 175 HB3 GLN 23 2HB GLN 23 -0.730 0.958 -20.127 176 HG2 GLN 23 1HG GLN 23 1.978 2.067 -20.945 177 HG3 GLN 23 2HG GLN 23 1.563 0.358 -20.867 178 HE21 GLN 23 2HE2 GLN 23 1.057 3.324 -22.714 179 HE22 GLN 23 1HE2 GLN 23 0.275 2.582 -24.023 180 H GLY 24 H GLY 24 -0.402 4.912 -18.518 181 HA2 GLY 24 1HA GLY 24 -1.918 5.836 -17.045 182 HA3 GLY 24 2HA GLY 24 -3.133 4.682 -17.599 183 H VAL 25 H VAL 25 -0.418 3.020 -17.147 184 HA VAL 25 HA VAL 25 -1.237 1.951 -14.545 185 HB VAL 25 HB VAL 25 0.994 1.033 -16.379 186 HG11 VAL 25 1HG1 VAL 25 -0.103 -1.162 -15.226 187 HG12 VAL 25 2HG1 VAL 25 -0.361 0.044 -13.962 188 HG13 VAL 25 3HG1 VAL 25 1.266 -0.273 -14.560 189 HG21 VAL 25 3HG2 VAL 25 -0.727 -0.600 -17.258 190 HG22 VAL 25 1HG2 VAL 25 -0.994 1.067 -17.759 191 HG23 VAL 25 2HG2 VAL 25 -1.965 0.370 -16.464 192 H ILE 26 H ILE 26 -0.610 3.304 -13.053 193 HA ILE 26 HA ILE 26 1.816 4.766 -13.220 194 HB ILE 26 HB ILE 26 0.169 4.470 -10.736 195 HG12 ILE 26 1HG1 ILE 26 -0.972 6.617 -11.917 196 HG13 ILE 26 2HG1 ILE 26 -0.592 5.686 -13.369 197 HG21 ILE 26 1HG2 ILE 26 2.104 5.763 -10.444 198 HG22 ILE 26 2HG2 ILE 26 0.825 6.947 -10.720 199 HG23 ILE 26 3HG2 ILE 26 1.939 6.530 -12.023 200 HD11 ILE 26 3HD1 ILE 26 -2.853 5.309 -11.906 201 HD12 ILE 26 1HD1 ILE 26 -1.787 4.136 -11.139 202 HD13 ILE 26 2HD1 ILE 26 -2.102 4.041 -12.869 203 H LEU 27 H LEU 27 3.693 3.944 -12.893 204 HA LEU 27 HA LEU 27 4.098 2.005 -10.715 205 HB2 LEU 27 1HB LEU 27 5.435 2.400 -13.331 206 HB3 LEU 27 2HB LEU 27 6.437 1.929 -11.970 207 HG LEU 27 HG LEU 27 4.062 0.348 -11.934 208 HD11 LEU 27 1HD1 LEU 27 5.457 0.687 -14.570 209 HD12 LEU 27 2HD1 LEU 27 3.726 0.612 -14.243 210 HD13 LEU 27 3HD1 LEU 27 4.708 -0.845 -14.152 211 HD21 LEU 27 3HD2 LEU 27 6.938 -0.333 -12.598 212 HD22 LEU 27 1HD2 LEU 27 5.718 -1.456 -12.016 213 HD23 LEU 27 2HD2 LEU 27 6.305 -0.171 -10.962 214 H THR 28 H THR 28 6.829 2.512 -10.419 215 HA THR 28 HA THR 28 7.563 5.190 -10.308 216 HB THR 28 HB THR 28 6.165 4.163 -7.841 217 HG1 THR 28 HG1 THR 28 5.150 5.543 -9.464 218 HG21 THR 28 3HG2 THR 28 8.254 6.349 -7.977 219 HG22 THR 28 1HG2 THR 28 8.314 4.881 -7.000 220 HG23 THR 28 2HG2 THR 28 7.137 6.141 -6.628 221 H ILE 29 H ILE 29 9.538 5.494 -9.066 222 HA ILE 29 HA ILE 29 11.019 2.967 -8.772 223 HB ILE 29 HB ILE 29 12.424 5.596 -8.836 224 HG12 ILE 29 1HG1 ILE 29 10.542 5.823 -10.485 225 HG13 ILE 29 2HG1 ILE 29 12.118 5.814 -11.249 226 HG21 ILE 29 1HG2 ILE 29 12.805 2.876 -10.131 227 HG22 ILE 29 2HG2 ILE 29 13.769 3.585 -8.835 228 HG23 ILE 29 3HG2 ILE 29 13.844 4.261 -10.459 229 HD11 ILE 29 3HD1 ILE 29 11.547 4.014 -12.471 230 HD12 ILE 29 1HD1 ILE 29 9.952 4.035 -11.734 231 HD13 ILE 29 2HD1 ILE 29 11.245 3.096 -11.000 232 H GLN 30 H GLN 30 11.268 2.300 -6.738 233 HA GLN 30 HA GLN 30 10.966 4.218 -4.543 234 HB2 GLN 30 1HB GLN 30 10.478 1.351 -4.916 235 HB3 GLN 30 2HB GLN 30 11.266 1.729 -3.391 236 HG2 GLN 30 1HG GLN 30 8.805 3.163 -4.391 237 HG3 GLN 30 2HG GLN 30 8.757 1.777 -3.303 238 HE21 GLN 30 2HE2 GLN 30 7.669 3.645 -1.938 239 HE22 GLN 30 1HE2 GLN 30 8.719 4.535 -0.950 240 H GLN 31 H GLN 31 12.409 4.235 -2.755 241 HA GLN 31 HA GLN 31 15.172 4.155 -3.582 242 HB2 GLN 31 1HB GLN 31 14.311 5.952 -2.130 243 HB3 GLN 31 2HB GLN 31 13.966 4.763 -0.874 244 HG2 GLN 31 1HG GLN 31 16.289 4.248 -0.595 245 HG3 GLN 31 2HG GLN 31 16.728 5.140 -2.050 246 HE21 GLN 31 2HE2 GLN 31 16.118 7.575 -1.950 247 HE22 GLN 31 1HE2 GLN 31 16.339 8.344 -0.453 248 H HIS 32 H HIS 32 16.349 2.400 -3.563 249 HA HIS 32 HA HIS 32 16.532 0.696 -1.251 250 HB2 HIS 32 1HB HIS 32 14.830 -0.090 -3.492 251 HB3 HIS 32 2HB HIS 32 16.139 -1.243 -3.224 252 HD1 HIS 32 HD1 HIS 32 14.226 0.793 -0.625 253 HD2 HIS 32 HD2 HIS 32 14.884 -3.198 -1.689 254 HE1 HIS 32 HE1 HIS 32 13.146 -0.632 1.184 255 H ASN 33 H ASN 33 17.919 -1.396 -2.241 256 HA ASN 33 HA ASN 33 20.423 -0.232 -2.893 257 HB2 ASN 33 1HB ASN 33 19.745 -2.566 -1.783 258 HB3 ASN 33 2HB ASN 33 19.974 -3.120 -3.440 259 HD21 ASN 33 2HD2 ASN 33 22.066 -3.918 -3.653 260 HD22 ASN 33 1HD2 ASN 33 23.452 -3.208 -2.978 261 H GLN 34 H GLN 34 17.758 -0.810 -4.796 262 HA GLN 34 HA GLN 34 19.256 -0.330 -7.229 263 HB2 GLN 34 1HB GLN 34 18.399 -2.987 -6.524 264 HB3 GLN 34 2HB GLN 34 17.476 -2.440 -7.921 265 HG2 GLN 34 1HG GLN 34 19.260 -2.892 -9.221 266 HG3 GLN 34 2HG GLN 34 20.150 -1.621 -8.386 267 HE21 GLN 34 2HE2 GLN 34 21.150 -2.385 -6.191 268 HE22 GLN 34 1HE2 GLN 34 21.801 -3.953 -6.169 269 H SER 35 H SER 35 17.490 -0.426 -9.123 270 HA SER 35 HA SER 35 15.584 1.608 -8.505 271 HB2 SER 35 1HB SER 35 15.194 0.137 -10.999 272 HB3 SER 35 2HB SER 35 15.476 1.851 -10.739 273 HG SER 35 HG SER 35 17.239 -0.195 -11.312 274 H ASP 36 H ASP 36 14.376 0.518 -6.767 275 HA ASP 36 HA ASP 36 12.776 -1.788 -7.413 276 HB2 ASP 36 1HB ASP 36 13.050 -0.003 -5.100 277 HB3 ASP 36 2HB ASP 36 11.392 -0.489 -5.415 278 H VAL 37 H VAL 37 11.224 -1.731 -8.812 279 HA VAL 37 HA VAL 37 9.909 0.820 -9.354 280 HB VAL 37 HB VAL 37 9.724 -1.704 -10.991 281 HG11 VAL 37 1HG1 VAL 37 9.880 1.094 -12.021 282 HG12 VAL 37 2HG1 VAL 37 8.360 0.557 -11.305 283 HG13 VAL 37 3HG1 VAL 37 9.038 -0.297 -12.694 284 HG21 VAL 37 3HG2 VAL 37 12.042 -1.464 -10.878 285 HG22 VAL 37 1HG2 VAL 37 11.950 0.264 -10.586 286 HG23 VAL 37 2HG2 VAL 37 11.681 -0.362 -12.206 287 H TRP 38 H TRP 38 8.210 1.164 -8.174 288 HA TRP 38 HA TRP 38 6.519 -1.082 -7.307 289 HB2 TRP 38 1HB TRP 38 6.891 1.746 -6.331 290 HB3 TRP 38 2HB TRP 38 5.527 0.762 -5.821 291 HD1 TRP 38 HD1 TRP 38 9.238 -0.305 -6.270 292 HE1 TRP 38 HE1 TRP 38 10.011 -1.316 -4.021 293 HE3 TRP 38 HE3 TRP 38 5.056 0.471 -3.532 294 HZ2 TRP 38 HZ2 TRP 38 8.943 -1.740 -1.379 295 HZ3 TRP 38 HZ3 TRP 38 4.928 -0.207 -1.186 296 HH2 TRP 38 HH2 TRP 38 6.859 -1.320 -0.077 297 H LEU 39 H LEU 39 4.193 -0.780 -7.306 298 HA LEU 39 HA LEU 39 3.284 0.766 -9.651 299 HB2 LEU 39 1HB LEU 39 2.883 -1.553 -10.013 300 HB3 LEU 39 2HB LEU 39 2.189 -1.750 -8.407 301 HG LEU 39 HG LEU 39 0.409 -0.074 -9.120 302 HD11 LEU 39 1HD1 LEU 39 2.126 0.161 -11.363 303 HD12 LEU 39 2HD1 LEU 39 0.542 0.905 -11.147 304 HD13 LEU 39 3HD1 LEU 39 0.674 -0.663 -11.927 305 HD21 LEU 39 3HD2 LEU 39 0.027 -2.490 -9.046 306 HD22 LEU 39 1HD2 LEU 39 0.700 -2.645 -10.672 307 HD23 LEU 39 2HD2 LEU 39 -0.800 -1.768 -10.421 308 H ALA 40 H ALA 40 1.574 2.076 -9.494 309 HA ALA 40 HA ALA 40 0.621 2.712 -6.770 310 HB1 ALA 40 1HB ALA 40 0.980 4.834 -7.437 311 HB2 ALA 40 2HB ALA 40 -0.313 4.624 -8.617 312 HB3 ALA 40 3HB ALA 40 1.360 4.301 -9.072 313 H ASP 41 H ASP 41 -0.344 2.229 -10.121 314 HA ASP 41 HA ASP 41 -3.159 2.101 -9.623 315 HB2 ASP 41 1HB ASP 41 -1.763 2.425 -11.878 316 HB3 ASP 41 2HB ASP 41 -1.887 0.677 -11.930 317 H GLU 42 H GLU 42 -2.272 0.545 -7.653 318 HA GLU 42 HA GLU 42 -1.496 -1.983 -7.883 319 HB2 GLU 42 1HB GLU 42 -3.591 -0.762 -6.158 320 HB3 GLU 42 2HB GLU 42 -3.325 -2.511 -6.086 321 HG2 GLU 42 1HG GLU 42 -1.089 -2.283 -5.456 322 HG3 GLU 42 2HG GLU 42 -0.979 -0.626 -6.038 323 H SER 43 H SER 43 -4.621 -0.872 -9.014 324 HA SER 43 HA SER 43 -5.915 -3.298 -9.492 325 HB2 SER 43 1HB SER 43 -6.027 -1.446 -11.743 326 HB3 SER 43 2HB SER 43 -7.318 -1.963 -10.659 327 HG SER 43 HG SER 43 -5.627 0.247 -10.562 328 H GLN 44 H GLN 44 -3.250 -1.755 -10.971 329 HA GLN 44 HA GLN 44 -2.996 -3.561 -13.232 330 HB2 GLN 44 1HB GLN 44 -1.486 -1.127 -12.286 331 HB3 GLN 44 2HB GLN 44 -1.067 -2.031 -13.717 332 HG2 GLN 44 1HG GLN 44 -3.654 -0.576 -13.187 333 HG3 GLN 44 2HG GLN 44 -2.423 -0.136 -14.367 334 HE21 GLN 44 2HE2 GLN 44 -5.195 -0.674 -15.053 335 HE22 GLN 44 1HE2 GLN 44 -5.216 -2.050 -16.046 336 H ALA 45 H ALA 45 -2.036 -3.503 -10.003 337 HA ALA 45 HA ALA 45 0.573 -4.155 -9.719 338 HB1 ALA 45 1HB ALA 45 -0.189 -5.909 -8.063 339 HB2 ALA 45 2HB ALA 45 -1.837 -5.540 -8.574 340 HB3 ALA 45 3HB ALA 45 -0.843 -4.289 -7.828 341 H GLU 46 H GLU 46 -1.773 -6.690 -10.148 342 HA GLU 46 HA GLU 46 -0.088 -8.787 -10.800 343 HB2 GLU 46 1HB GLU 46 -2.105 -9.738 -11.870 344 HB3 GLU 46 2HB GLU 46 -2.500 -8.981 -10.325 345 HG2 GLU 46 1HG GLU 46 -3.063 -6.869 -11.626 346 HG3 GLU 46 2HG GLU 46 -2.927 -7.824 -13.097 347 H ARG 47 H ARG 47 -1.623 -6.389 -12.837 348 HA ARG 47 HA ARG 47 -0.756 -7.255 -15.338 349 HB2 ARG 47 1HB ARG 47 -2.327 -5.253 -14.476 350 HB3 ARG 47 2HB ARG 47 -0.853 -4.347 -14.807 351 HG2 ARG 47 1HG ARG 47 -1.285 -6.180 -16.954 352 HG3 ARG 47 2HG ARG 47 -2.778 -5.277 -16.668 353 HD2 ARG 47 1HD ARG 47 -1.519 -3.171 -16.700 354 HD3 ARG 47 2HD ARG 47 -0.030 -4.068 -16.977 355 HE ARG 47 HE ARG 47 -0.619 -4.203 -19.214 356 HH11 ARG 47 1HH2 ARG 47 -3.411 -3.619 -17.237 357 HH12 ARG 47 2HH2 ARG 47 -4.532 -3.646 -18.558 358 HH21 ARG 47 1HH1 ARG 47 -2.085 -4.272 -20.949 359 HH22 ARG 47 2HH1 ARG 47 -3.776 -4.012 -20.673 360 H VAL 48 H VAL 48 0.463 -4.475 -13.665 361 HA VAL 48 HA VAL 48 2.830 -4.106 -14.984 362 HB VAL 48 HB VAL 48 2.350 -3.779 -12.017 363 HG11 VAL 48 1HG1 VAL 48 3.776 -1.695 -12.694 364 HG12 VAL 48 2HG1 VAL 48 4.286 -2.738 -14.027 365 HG13 VAL 48 3HG1 VAL 48 4.551 -3.235 -12.366 366 HG21 VAL 48 3HG2 VAL 48 1.830 -1.406 -13.279 367 HG22 VAL 48 1HG2 VAL 48 0.613 -2.547 -12.724 368 HG23 VAL 48 2HG2 VAL 48 1.149 -2.584 -14.400 369 H ARG 49 H ARG 49 2.503 -5.837 -11.910 370 HA ARG 49 HA ARG 49 5.038 -6.856 -11.721 371 HB2 ARG 49 1HB ARG 49 2.389 -7.772 -10.752 372 HB3 ARG 49 2HB ARG 49 3.620 -9.024 -10.843 373 HG2 ARG 49 1HG ARG 49 5.136 -7.359 -9.602 374 HG3 ARG 49 2HG ARG 49 3.639 -6.493 -9.235 375 HD2 ARG 49 1HD ARG 49 3.756 -7.965 -7.437 376 HD3 ARG 49 2HD ARG 49 2.743 -8.853 -8.571 377 HE ARG 49 HE ARG 49 4.443 -10.412 -8.813 378 HH11 ARG 49 1HH2 ARG 49 5.651 -7.523 -7.301 379 HH12 ARG 49 2HH2 ARG 49 7.196 -8.200 -6.930 380 HH21 ARG 49 1HH1 ARG 49 6.465 -11.288 -8.362 381 HH22 ARG 49 2HH1 ARG 49 7.685 -10.333 -7.588 382 H ALA 50 H ALA 50 2.436 -7.828 -13.808 383 HA ALA 50 HA ALA 50 3.750 -10.213 -14.823 384 HB1 ALA 50 1HB ALA 50 1.822 -10.408 -16.253 385 HB2 ALA 50 2HB ALA 50 1.370 -8.730 -15.985 386 HB3 ALA 50 3HB ALA 50 1.230 -9.898 -14.677 387 H GLU 51 H GLU 51 2.716 -7.102 -16.129 388 HA GLU 51 HA GLU 51 3.690 -7.049 -18.630 389 HB2 GLU 51 1HB GLU 51 3.952 -4.872 -16.556 390 HB3 GLU 51 2HB GLU 51 4.168 -4.622 -18.284 391 HG2 GLU 51 1HG GLU 51 1.656 -5.334 -16.790 392 HG3 GLU 51 2HG GLU 51 1.913 -4.066 -17.983 393 H LEU 52 H LEU 52 5.728 -6.455 -15.747 394 HA LEU 52 HA LEU 52 8.073 -5.821 -16.829 395 HB2 LEU 52 1HB LEU 52 7.457 -7.761 -14.701 396 HB3 LEU 52 2HB LEU 52 9.121 -7.547 -15.212 397 HG LEU 52 HG LEU 52 8.372 -6.126 -13.258 398 HD11 LEU 52 1HD1 LEU 52 9.695 -5.200 -15.735 399 HD12 LEU 52 2HD1 LEU 52 10.314 -5.266 -14.090 400 HD13 LEU 52 3HD1 LEU 52 9.246 -3.950 -14.582 401 HD21 LEU 52 3HD2 LEU 52 6.233 -5.339 -13.736 402 HD22 LEU 52 1HD2 LEU 52 6.645 -4.912 -15.395 403 HD23 LEU 52 2HD2 LEU 52 7.244 -3.937 -14.062 404 H ALA 53 H ALA 53 7.428 -9.303 -16.466 405 HA ALA 53 HA ALA 53 9.423 -10.210 -18.169 406 HB1 ALA 53 1HB ALA 53 6.707 -11.330 -17.534 407 HB2 ALA 53 2HB ALA 53 8.284 -11.865 -16.954 408 HB3 ALA 53 3HB ALA 53 7.817 -12.160 -18.627 409 H ARG 54 H ARG 54 6.415 -8.690 -18.980 410 HA ARG 54 HA ARG 54 6.618 -9.513 -21.788 411 HB2 ARG 54 1HB ARG 54 4.610 -7.533 -20.764 412 HB3 ARG 54 2HB ARG 54 4.444 -8.722 -22.054 413 HG2 ARG 54 1HG ARG 54 4.285 -10.539 -20.490 414 HG3 ARG 54 2HG ARG 54 4.772 -9.510 -19.144 415 HD2 ARG 54 1HD ARG 54 2.496 -9.510 -18.825 416 HD3 ARG 54 2HD ARG 54 2.643 -8.118 -19.891 417 HE ARG 54 HE ARG 54 2.288 -10.504 -21.410 418 HH11 ARG 54 1HH2 ARG 54 0.652 -8.185 -19.385 419 HH12 ARG 54 2HH2 ARG 54 -0.903 -8.476 -20.110 420 HH21 ARG 54 1HH1 ARG 54 0.267 -10.850 -22.362 421 HH22 ARG 54 2HH1 ARG 54 -1.122 -9.978 -21.793 422 H PHE 55 H PHE 55 6.375 -6.534 -19.920 423 HA PHE 55 HA PHE 55 7.011 -4.667 -21.829 424 HB2 PHE 55 1HB PHE 55 6.694 -3.432 -20.011 425 HB3 PHE 55 2HB PHE 55 6.914 -4.831 -18.976 426 HD1 PHE 55 HD1 PHE 55 9.187 -2.909 -21.190 427 HD2 PHE 55 HD2 PHE 55 8.358 -4.301 -17.257 428 HE1 PHE 55 HE1 PHE 55 11.377 -2.019 -20.431 429 HE2 PHE 55 HE2 PHE 55 10.541 -3.465 -16.483 430 HZ PHE 55 HZ PHE 55 12.061 -2.300 -18.066 431 H LEU 56 H LEU 56 9.067 -6.904 -20.098 432 HA LEU 56 HA LEU 56 11.562 -5.793 -20.859 433 HB2 LEU 56 1HB LEU 56 10.621 -8.478 -19.930 434 HB3 LEU 56 2HB LEU 56 12.280 -8.262 -20.466 435 HG LEU 56 HG LEU 56 12.860 -7.163 -18.574 436 HD11 LEU 56 1HD1 LEU 56 11.344 -5.424 -17.537 437 HD12 LEU 56 2HD1 LEU 56 10.201 -5.735 -18.834 438 HD13 LEU 56 3HD1 LEU 56 11.800 -5.089 -19.202 439 HD21 LEU 56 3HD2 LEU 56 11.954 -8.593 -17.086 440 HD22 LEU 56 1HD2 LEU 56 10.493 -8.759 -18.052 441 HD23 LEU 56 2HD2 LEU 56 10.635 -7.438 -16.896 442 H GLU 57 H GLU 57 9.584 -8.387 -22.265 443 HA GLU 57 HA GLU 57 11.397 -8.571 -24.534 444 HB2 GLU 57 1HB GLU 57 8.877 -9.965 -24.886 445 HB3 GLU 57 2HB GLU 57 10.513 -10.610 -24.851 446 HG2 GLU 57 1HG GLU 57 10.159 -10.106 -22.203 447 HG3 GLU 57 2HG GLU 57 8.490 -10.422 -22.684 448 H ASN 58 H ASN 58 8.731 -6.677 -23.636 449 HA ASN 58 HA ASN 58 8.610 -5.601 -26.327 450 HB2 ASN 58 1HB ASN 58 6.662 -7.541 -25.454 451 HB3 ASN 58 2HB ASN 58 5.891 -5.998 -25.804 452 HD21 ASN 58 2HD2 ASN 58 6.577 -8.821 -27.306 453 HD22 ASN 58 1HD2 ASN 58 6.848 -8.259 -28.886 454 HA PRO 59 HA PRO 59 7.590 -2.626 -22.896 455 HB2 PRO 59 1HB PRO 59 9.618 -0.898 -24.060 456 HB3 PRO 59 2HB PRO 59 9.565 -1.559 -22.425 457 HG2 PRO 59 1HG PRO 59 11.306 -2.298 -24.491 458 HG3 PRO 59 2HG PRO 59 11.089 -3.108 -22.935 459 HD2 PRO 59 1HD PRO 59 10.237 -3.996 -25.569 460 HD3 PRO 59 2HD PRO 59 10.232 -4.894 -24.045 461 H ALA 60 H ALA 60 7.506 -0.007 -23.658 462 HA ALA 60 HA ALA 60 6.488 1.496 -25.081 463 HB1 ALA 60 1HB ALA 60 7.115 1.365 -27.291 464 HB2 ALA 60 2HB ALA 60 6.698 -0.344 -27.412 465 HB3 ALA 60 3HB ALA 60 8.207 0.142 -26.646 466 H ASP 61 H ASP 61 5.608 -1.740 -26.280 467 HA ASP 61 HA ASP 61 2.857 -0.964 -26.690 468 HB2 ASP 61 1HB ASP 61 4.369 -2.755 -27.941 469 HB3 ASP 61 2HB ASP 61 3.709 -3.825 -26.710 470 H LEU 62 H LEU 62 1.568 -3.314 -25.941 471 HA LEU 62 HA LEU 62 1.839 -3.545 -23.041 472 HB2 LEU 62 1HB LEU 62 0.315 -1.611 -23.630 473 HB3 LEU 62 2HB LEU 62 -0.762 -2.788 -24.372 474 HG LEU 62 HG LEU 62 -0.911 -3.986 -22.216 475 HD11 LEU 62 1HD1 LEU 62 1.065 -3.520 -21.043 476 HD12 LEU 62 2HD1 LEU 62 -0.111 -2.509 -20.207 477 HD13 LEU 62 3HD1 LEU 62 0.977 -1.795 -21.394 478 HD21 LEU 62 3HD2 LEU 62 -2.682 -2.474 -22.584 479 HD22 LEU 62 1HD2 LEU 62 -1.637 -1.067 -22.388 480 HD23 LEU 62 2HD2 LEU 62 -2.091 -2.030 -20.982 481 H ASP 63 H ASP 63 1.358 -5.565 -22.366 482 HA ASP 63 HA ASP 63 0.518 -7.697 -22.307 483 HB2 ASP 63 1HB ASP 63 -1.462 -6.331 -23.630 484 HB3 ASP 63 2HB ASP 63 -1.038 -7.572 -24.800 Start of MODEL 6 1 H1 MET 1 H MET 1 -0.187 2.456 -2.569 2 HA MET 1 HA MET 1 1.572 1.735 -3.994 3 HB2 MET 1 1HB MET 1 2.146 1.712 -1.025 4 HB3 MET 1 2HB MET 1 3.439 1.575 -2.214 5 HG2 MET 1 1HG MET 1 1.555 3.885 -1.753 6 HG3 MET 1 2HG MET 1 3.317 3.894 -1.803 7 HE1 MET 1 3HE MET 1 4.498 2.808 -3.595 8 HE2 MET 1 1HE MET 1 4.554 3.874 -5.010 9 HE3 MET 1 2HE MET 1 3.805 2.285 -5.127 10 H LEU 2 H LEU 2 2.494 0.010 -4.970 11 HA LEU 2 HA LEU 2 2.556 -2.566 -3.515 12 HB2 LEU 2 1HB LEU 2 0.686 -2.140 -5.281 13 HB3 LEU 2 2HB LEU 2 1.975 -2.451 -6.426 14 HG LEU 2 HG LEU 2 2.347 -4.455 -4.603 15 HD11 LEU 2 1HD1 LEU 2 -0.049 -3.445 -3.873 16 HD12 LEU 2 2HD1 LEU 2 0.362 -5.150 -3.715 17 HD13 LEU 2 3HD1 LEU 2 -0.574 -4.595 -5.103 18 HD21 LEU 2 3HD2 LEU 2 1.064 -4.130 -7.278 19 HD22 LEU 2 1HD2 LEU 2 0.865 -5.685 -6.471 20 HD23 LEU 2 2HD2 LEU 2 2.479 -5.072 -6.817 21 H MET 3 H MET 3 4.172 -4.011 -4.155 22 HA MET 3 HA MET 3 6.457 -2.761 -5.499 23 HB2 MET 3 1HB MET 3 6.532 -4.092 -3.227 24 HB3 MET 3 2HB MET 3 6.502 -5.511 -4.276 25 HG2 MET 3 1HG MET 3 8.465 -3.245 -4.662 26 HG3 MET 3 2HG MET 3 8.819 -4.644 -3.655 27 HE1 MET 3 3HE MET 3 10.503 -3.654 -6.173 28 HE2 MET 3 1HE MET 3 10.930 -5.224 -6.872 29 HE3 MET 3 2HE MET 3 10.936 -5.003 -5.126 30 H ILE 4 H ILE 4 6.979 -3.322 -7.567 31 HA ILE 4 HA ILE 4 5.491 -5.599 -8.757 32 HB ILE 4 HB ILE 4 6.605 -3.086 -10.017 33 HG12 ILE 4 1HG1 ILE 4 4.457 -2.882 -8.739 34 HG13 ILE 4 2HG1 ILE 4 4.299 -2.540 -10.462 35 HG21 ILE 4 1HG2 ILE 4 6.546 -5.486 -11.285 36 HG22 ILE 4 2HG2 ILE 4 6.273 -3.955 -12.106 37 HG23 ILE 4 3HG2 ILE 4 4.904 -4.941 -11.597 38 HD11 ILE 4 3HD1 ILE 4 3.246 -4.842 -8.885 39 HD12 ILE 4 1HD1 ILE 4 3.766 -5.167 -10.537 40 HD13 ILE 4 2HD1 ILE 4 2.512 -3.971 -10.227 41 H THR 5 H THR 5 8.524 -3.790 -9.176 42 HA THR 5 HA THR 5 10.087 -6.219 -9.335 43 HB THR 5 HB THR 5 8.992 -6.022 -11.631 44 HG1 THR 5 HG1 THR 5 10.996 -7.034 -11.461 45 HG21 THR 5 3HG2 THR 5 8.997 -4.065 -12.738 46 HG22 THR 5 1HG2 THR 5 10.724 -3.842 -12.474 47 HG23 THR 5 2HG2 THR 5 9.567 -3.323 -11.250 48 H SER 6 H SER 6 12.177 -5.228 -10.718 49 HA SER 6 HA SER 6 12.909 -2.644 -9.607 50 HB2 SER 6 1HB SER 6 14.893 -4.801 -9.216 51 HB3 SER 6 2HB SER 6 14.618 -3.326 -8.294 52 HG SER 6 HG SER 6 13.253 -4.358 -7.054 53 H PHE 7 H PHE 7 14.249 -1.587 -10.964 54 HA PHE 7 HA PHE 7 14.912 -3.036 -13.435 55 HB2 PHE 7 1HB PHE 7 14.339 -0.144 -12.843 56 HB3 PHE 7 2HB PHE 7 14.942 -0.712 -14.398 57 HD1 PHE 7 HD2 PHE 7 13.604 -3.249 -14.795 58 HD2 PHE 7 HD1 PHE 7 12.025 0.347 -13.088 59 HE1 PHE 7 HE2 PHE 7 11.327 -3.960 -15.411 60 HE2 PHE 7 HE1 PHE 7 9.755 -0.360 -13.749 61 HZ PHE 7 HZ PHE 7 9.398 -2.500 -14.910 62 H ALA 8 H ALA 8 16.888 -3.185 -14.211 63 HA ALA 8 HA ALA 8 19.159 -2.891 -12.638 64 HB1 ALA 8 1HB ALA 8 19.270 -2.575 -15.626 65 HB2 ALA 8 2HB ALA 8 18.816 -4.120 -14.909 66 HB3 ALA 8 3HB ALA 8 20.394 -3.416 -14.559 67 H ASN 9 H ASN 9 17.313 -0.529 -14.285 68 HA ASN 9 HA ASN 9 19.255 1.496 -13.511 69 HB2 ASN 9 1HB ASN 9 18.449 0.890 -16.278 70 HB3 ASN 9 2HB ASN 9 18.568 2.583 -15.834 71 HD21 ASN 9 2HD2 ASN 9 20.362 0.301 -17.295 72 HD22 ASN 9 1HD2 ASN 9 21.911 0.734 -16.755 73 HA PRO 10 HA PRO 10 15.606 3.654 -12.286 74 HB2 PRO 10 1HB PRO 10 16.596 6.198 -12.280 75 HB3 PRO 10 2HB PRO 10 17.019 5.008 -11.029 76 HG2 PRO 10 1HG PRO 10 18.531 5.751 -13.503 77 HG3 PRO 10 2HG PRO 10 19.119 5.590 -11.838 78 HD2 PRO 10 1HD PRO 10 19.494 3.618 -13.609 79 HD3 PRO 10 2HD PRO 10 19.085 3.249 -11.911 80 H ARG 11 H ARG 11 17.579 4.817 -14.982 81 HA ARG 11 HA ARG 11 15.590 6.347 -16.316 82 HB2 ARG 11 1HB ARG 11 17.626 4.773 -17.853 83 HB3 ARG 11 2HB ARG 11 17.067 6.423 -18.109 84 HG2 ARG 11 1HG ARG 11 18.186 6.710 -15.665 85 HG3 ARG 11 2HG ARG 11 19.197 5.411 -16.309 86 HD2 ARG 11 1HD ARG 11 19.550 6.800 -18.369 87 HD3 ARG 11 2HD ARG 11 18.681 8.114 -17.586 88 HE ARG 11 HE ARG 11 21.405 7.402 -17.139 89 HH11 ARG 11 1HH2 ARG 11 18.518 8.546 -15.574 90 HH12 ARG 11 2HH2 ARG 11 19.363 9.290 -14.258 91 HH21 ARG 11 1HH1 ARG 11 22.508 8.379 -15.413 92 HH22 ARG 11 2HH1 ARG 11 21.619 9.190 -14.167 93 H VAL 12 H VAL 12 16.761 3.067 -16.609 94 HA VAL 12 HA VAL 12 14.990 1.955 -18.440 95 HB VAL 12 HB VAL 12 16.484 0.969 -16.021 96 HG11 VAL 12 1HG1 VAL 12 14.279 -0.258 -16.150 97 HG12 VAL 12 2HG1 VAL 12 15.719 -1.265 -16.266 98 HG13 VAL 12 3HG1 VAL 12 14.802 -0.871 -17.720 99 HG21 VAL 12 3HG2 VAL 12 17.692 1.350 -18.123 100 HG22 VAL 12 1HG2 VAL 12 16.607 0.237 -18.954 101 HG23 VAL 12 2HG2 VAL 12 17.686 -0.358 -17.694 102 H ALA 13 H ALA 13 14.819 2.389 -14.982 103 HA ALA 13 HA ALA 13 12.302 1.251 -14.538 104 HB1 ALA 13 1HB ALA 13 14.229 1.917 -12.905 105 HB2 ALA 13 2HB ALA 13 12.563 2.021 -12.341 106 HB3 ALA 13 3HB ALA 13 13.410 3.475 -12.860 107 H GLN 14 H GLN 14 13.183 4.674 -14.408 108 HA GLN 14 HA GLN 14 10.609 5.685 -14.286 109 HB2 GLN 14 1HB GLN 14 13.039 6.910 -15.607 110 HB3 GLN 14 2HB GLN 14 11.577 7.781 -15.140 111 HG2 GLN 14 1HG GLN 14 12.033 7.633 -12.882 112 HG3 GLN 14 2HG GLN 14 12.924 6.124 -13.046 113 HE21 GLN 14 2HE2 GLN 14 14.866 6.778 -14.936 114 HE22 GLN 14 1HE2 GLN 14 15.848 8.036 -14.351 115 H ALA 15 H ALA 15 12.582 4.797 -17.094 116 HA ALA 15 HA ALA 15 10.834 5.676 -19.113 117 HB1 ALA 15 1HB ALA 15 12.484 3.148 -19.257 118 HB2 ALA 15 2HB ALA 15 13.194 4.757 -19.402 119 HB3 ALA 15 3HB ALA 15 12.008 4.205 -20.587 120 H PHE 16 H PHE 16 10.976 2.588 -17.351 121 HA PHE 16 HA PHE 16 8.825 1.348 -18.745 122 HB2 PHE 16 1HB PHE 16 10.379 0.001 -17.449 123 HB3 PHE 16 2HB PHE 16 9.904 0.829 -15.965 124 HD1 PHE 16 HD1 PHE 16 8.332 -0.993 -18.847 125 HD2 PHE 16 HD2 PHE 16 8.213 -0.135 -14.645 126 HE1 PHE 16 HE1 PHE 16 6.564 -2.700 -18.540 127 HE2 PHE 16 HE2 PHE 16 6.447 -1.842 -14.342 128 HZ PHE 16 HZ PHE 16 5.615 -3.119 -16.298 129 H VAL 17 H VAL 17 8.939 2.606 -15.419 130 HA VAL 17 HA VAL 17 6.195 2.463 -14.959 131 HB VAL 17 HB VAL 17 6.574 3.972 -13.120 132 HG11 VAL 17 1HG1 VAL 17 8.261 2.761 -12.016 133 HG12 VAL 17 2HG1 VAL 17 9.232 2.609 -13.472 134 HG13 VAL 17 3HG1 VAL 17 7.766 1.653 -13.295 135 HG21 VAL 17 3HG2 VAL 17 8.854 5.116 -13.011 136 HG22 VAL 17 1HG2 VAL 17 7.689 5.792 -14.150 137 HG23 VAL 17 2HG2 VAL 17 8.988 4.754 -14.727 138 H ASP 18 H ASP 18 8.166 5.066 -16.412 139 HA ASP 18 HA ASP 18 6.066 6.920 -16.720 140 HB2 ASP 18 1HB ASP 18 8.598 6.438 -18.293 141 HB3 ASP 18 2HB ASP 18 7.425 7.641 -18.808 142 H TYR 19 H TYR 19 7.272 4.247 -18.654 143 HA TYR 19 HA TYR 19 5.482 4.490 -20.826 144 HB2 TYR 19 1HB TYR 19 7.066 2.941 -21.412 145 HB3 TYR 19 2HB TYR 19 7.290 2.391 -19.754 146 HD1 TYR 19 HD1 TYR 19 4.836 2.342 -22.544 147 HD2 TYR 19 HD2 TYR 19 6.304 0.357 -19.033 148 HE1 TYR 19 HE1 TYR 19 3.313 0.455 -22.988 149 HE2 TYR 19 HE2 TYR 19 4.778 -1.544 -19.479 150 HH TYR 19 HH TYR 19 3.015 -2.265 -20.730 151 H MET 20 H MET 20 5.398 2.384 -17.942 152 HA MET 20 HA MET 20 2.826 1.350 -18.271 153 HB2 MET 20 1HB MET 20 4.244 2.090 -15.707 154 HB3 MET 20 2HB MET 20 2.850 1.022 -15.825 155 HG2 MET 20 1HG MET 20 4.647 0.019 -17.708 156 HG3 MET 20 2HG MET 20 5.659 0.451 -16.334 157 HE1 MET 20 3HE MET 20 1.899 -0.508 -16.255 158 HE2 MET 20 1HE MET 20 1.971 -2.263 -16.136 159 HE3 MET 20 2HE MET 20 2.562 -1.455 -17.582 160 H ALA 21 H ALA 21 3.979 4.293 -16.729 161 HA ALA 21 HA ALA 21 1.513 5.316 -15.836 162 HB1 ALA 21 1HB ALA 21 3.854 6.123 -15.236 163 HB2 ALA 21 2HB ALA 21 2.678 7.389 -15.587 164 HB3 ALA 21 3HB ALA 21 3.870 6.937 -16.801 165 H THR 22 H THR 22 3.137 5.306 -18.933 166 HA THR 22 HA THR 22 1.477 7.195 -20.259 167 HB THR 22 HB THR 22 3.740 5.591 -20.823 168 HG1 THR 22 HG1 THR 22 3.444 7.718 -21.508 169 HG21 THR 22 3HG2 THR 22 2.076 3.889 -21.631 170 HG22 THR 22 1HG2 THR 22 3.218 4.434 -22.858 171 HG23 THR 22 2HG2 THR 22 1.564 5.052 -22.853 172 H GLN 23 H GLN 23 1.423 3.841 -19.471 173 HA GLN 23 HA GLN 23 -0.909 3.079 -20.968 174 HB2 GLN 23 1HB GLN 23 1.121 1.750 -19.691 175 HB3 GLN 23 2HB GLN 23 -0.217 1.564 -18.563 176 HG2 GLN 23 1HG GLN 23 -1.630 0.716 -20.420 177 HG3 GLN 23 2HG GLN 23 -0.235 0.814 -21.500 178 HE21 GLN 23 2HE2 GLN 23 1.764 -0.441 -20.676 179 HE22 GLN 23 1HE2 GLN 23 1.471 -1.918 -19.891 180 H GLY 24 H GLY 24 -0.313 5.004 -18.352 181 HA2 GLY 24 1HA GLY 24 -1.804 6.097 -16.956 182 HA3 GLY 24 2HA GLY 24 -3.065 4.949 -17.421 183 H VAL 25 H VAL 25 -0.434 3.195 -16.976 184 HA VAL 25 HA VAL 25 -1.195 2.227 -14.321 185 HB VAL 25 HB VAL 25 0.922 1.272 -16.262 186 HG11 VAL 25 1HG1 VAL 25 1.387 0.236 -14.260 187 HG12 VAL 25 2HG1 VAL 25 0.230 -0.899 -14.956 188 HG13 VAL 25 3HG1 VAL 25 -0.293 0.254 -13.728 189 HG21 VAL 25 3HG2 VAL 25 -1.664 -0.171 -15.999 190 HG22 VAL 25 1HG2 VAL 25 -0.650 0.065 -17.415 191 HG23 VAL 25 2HG2 VAL 25 -1.722 1.355 -16.877 192 H ILE 26 H ILE 26 -0.477 3.461 -12.795 193 HA ILE 26 HA ILE 26 1.991 4.871 -13.020 194 HB ILE 26 HB ILE 26 0.399 4.643 -10.497 195 HG12 ILE 26 1HG1 ILE 26 -0.742 6.785 -11.612 196 HG13 ILE 26 2HG1 ILE 26 -0.372 5.921 -13.103 197 HG21 ILE 26 1HG2 ILE 26 1.925 6.862 -11.873 198 HG22 ILE 26 2HG2 ILE 26 2.563 5.845 -10.579 199 HG23 ILE 26 3HG2 ILE 26 1.211 6.937 -10.265 200 HD11 ILE 26 3HD1 ILE 26 -1.869 4.222 -12.650 201 HD12 ILE 26 1HD1 ILE 26 -2.657 5.514 -11.756 202 HD13 ILE 26 2HD1 ILE 26 -1.648 4.351 -10.903 203 H LEU 27 H LEU 27 3.846 4.019 -12.704 204 HA LEU 27 HA LEU 27 4.219 2.081 -10.514 205 HB2 LEU 27 1HB LEU 27 5.546 2.331 -13.160 206 HB3 LEU 27 2HB LEU 27 6.553 1.901 -11.786 207 HG LEU 27 HG LEU 27 4.290 0.319 -11.480 208 HD11 LEU 27 1HD1 LEU 27 5.231 -0.057 -14.285 209 HD12 LEU 27 2HD1 LEU 27 4.024 1.180 -13.962 210 HD13 LEU 27 3HD1 LEU 27 3.689 -0.496 -13.560 211 HD21 LEU 27 3HD2 LEU 27 6.931 -0.376 -12.810 212 HD22 LEU 27 1HD2 LEU 27 5.867 -1.491 -11.955 213 HD23 LEU 27 2HD2 LEU 27 6.713 -0.222 -11.069 214 H THR 28 H THR 28 6.997 2.521 -10.318 215 HA THR 28 HA THR 28 7.875 5.116 -10.311 216 HB THR 28 HB THR 28 6.340 4.432 -7.820 217 HG1 THR 28 HG1 THR 28 5.422 5.740 -9.486 218 HG21 THR 28 3HG2 THR 28 8.686 6.325 -8.092 219 HG22 THR 28 1HG2 THR 28 8.500 5.003 -6.937 220 HG23 THR 28 2HG2 THR 28 7.497 6.448 -6.794 221 H ILE 29 H ILE 29 9.919 5.318 -9.330 222 HA ILE 29 HA ILE 29 11.185 2.757 -8.778 223 HB ILE 29 HB ILE 29 12.838 5.185 -8.568 224 HG12 ILE 29 1HG1 ILE 29 11.210 6.005 -10.232 225 HG13 ILE 29 2HG1 ILE 29 12.756 5.665 -11.001 226 HG21 ILE 29 1HG2 ILE 29 13.506 2.716 -8.821 227 HG22 ILE 29 2HG2 ILE 29 14.334 3.875 -9.865 228 HG23 ILE 29 3HG2 ILE 29 13.030 2.879 -10.512 229 HD11 ILE 29 3HD1 ILE 29 11.550 4.435 -12.482 230 HD12 ILE 29 1HD1 ILE 29 10.140 4.396 -11.429 231 HD13 ILE 29 2HD1 ILE 29 11.443 3.231 -11.201 232 H GLN 30 H GLN 30 11.579 2.057 -6.771 233 HA GLN 30 HA GLN 30 10.934 3.849 -4.546 234 HB2 GLN 30 1HB GLN 30 10.595 1.056 -5.090 235 HB3 GLN 30 2HB GLN 30 11.575 1.229 -3.639 236 HG2 GLN 30 1HG GLN 30 8.815 2.339 -4.154 237 HG3 GLN 30 2HG GLN 30 9.327 1.246 -2.866 238 HE21 GLN 30 2HE2 GLN 30 8.482 4.404 -3.364 239 HE22 GLN 30 1HE2 GLN 30 9.381 5.141 -2.127 240 H GLN 31 H GLN 31 12.262 3.972 -2.664 241 HA GLN 31 HA GLN 31 15.042 4.255 -3.265 242 HB2 GLN 31 1HB GLN 31 14.107 5.775 -1.659 243 HB3 GLN 31 2HB GLN 31 13.479 4.451 -0.680 244 HG2 GLN 31 1HG GLN 31 15.482 4.082 0.327 245 HG3 GLN 31 2HG GLN 31 16.383 4.320 -1.170 246 HE21 GLN 31 2HE2 GLN 31 16.032 6.858 -1.932 247 HE22 GLN 31 1HE2 GLN 31 16.401 7.962 -0.696 248 H HIS 32 H HIS 32 16.339 2.563 -3.486 249 HA HIS 32 HA HIS 32 16.512 0.525 -1.439 250 HB2 HIS 32 1HB HIS 32 14.606 -0.147 -3.035 251 HB3 HIS 32 2HB HIS 32 15.867 -0.379 -4.240 252 HD1 HIS 32 HD1 HIS 32 15.725 -2.891 -4.375 253 HD2 HIS 32 HD2 HIS 32 16.332 -1.534 -0.475 254 HE1 HIS 32 HE1 HIS 32 16.343 -4.924 -2.983 255 H ASN 33 H ASN 33 17.972 -1.361 -2.791 256 HA ASN 33 HA ASN 33 20.362 0.170 -3.454 257 HB2 ASN 33 1HB ASN 33 20.204 -1.971 -1.917 258 HB3 ASN 33 2HB ASN 33 20.295 -2.822 -3.453 259 HD21 ASN 33 2HD2 ASN 33 22.166 -1.963 -4.934 260 HD22 ASN 33 1HD2 ASN 33 23.634 -1.617 -4.150 261 H GLN 34 H GLN 34 17.812 -0.455 -5.104 262 HA GLN 34 HA GLN 34 19.136 -0.593 -7.665 263 HB2 GLN 34 1HB GLN 34 18.329 -3.023 -6.537 264 HB3 GLN 34 2HB GLN 34 17.004 -2.596 -7.616 265 HG2 GLN 34 1HG GLN 34 19.465 -2.028 -8.974 266 HG3 GLN 34 2HG GLN 34 19.573 -3.657 -8.312 267 HE21 GLN 34 2HE2 GLN 34 19.410 -4.482 -10.569 268 HE22 GLN 34 1HE2 GLN 34 17.904 -4.523 -11.345 269 H SER 35 H SER 35 17.423 -0.423 -9.430 270 HA SER 35 HA SER 35 15.591 1.657 -8.718 271 HB2 SER 35 1HB SER 35 15.288 0.232 -11.301 272 HB3 SER 35 2HB SER 35 15.281 1.957 -10.958 273 HG SER 35 HG SER 35 17.409 0.187 -11.385 274 H ASP 36 H ASP 36 14.755 -0.077 -6.996 275 HA ASP 36 HA ASP 36 12.946 -2.072 -7.811 276 HB2 ASP 36 1HB ASP 36 13.133 -0.401 -5.326 277 HB3 ASP 36 2HB ASP 36 11.768 -1.484 -5.579 278 H VAL 37 H VAL 37 11.112 -1.964 -8.804 279 HA VAL 37 HA VAL 37 9.889 0.673 -9.143 280 HB VAL 37 HB VAL 37 8.914 -1.410 -10.919 281 HG11 VAL 37 1HG1 VAL 37 9.281 1.333 -10.902 282 HG12 VAL 37 2HG1 VAL 37 8.872 0.374 -12.321 283 HG13 VAL 37 3HG1 VAL 37 10.552 0.779 -11.988 284 HG21 VAL 37 3HG2 VAL 37 10.923 -1.943 -12.065 285 HG22 VAL 37 1HG2 VAL 37 11.327 -2.165 -10.378 286 HG23 VAL 37 2HG2 VAL 37 11.839 -0.711 -11.212 287 H TRP 38 H TRP 38 8.177 1.074 -8.029 288 HA TRP 38 HA TRP 38 6.492 -1.152 -7.091 289 HB2 TRP 38 1HB TRP 38 7.025 1.643 -6.108 290 HB3 TRP 38 2HB TRP 38 5.559 0.794 -5.625 291 HD1 TRP 38 HD1 TRP 38 9.285 -0.310 -5.893 292 HE1 TRP 38 HE1 TRP 38 9.860 -1.528 -3.685 293 HE3 TRP 38 HE3 TRP 38 4.840 0.143 -3.528 294 HZ2 TRP 38 HZ2 TRP 38 8.542 -2.220 -1.217 295 HZ3 TRP 38 HZ3 TRP 38 4.494 -0.775 -1.293 296 HH2 TRP 38 HH2 TRP 38 6.331 -1.964 -0.104 297 H LEU 39 H LEU 39 4.209 -0.903 -7.180 298 HA LEU 39 HA LEU 39 3.319 0.743 -9.461 299 HB2 LEU 39 1HB LEU 39 2.920 -1.596 -9.861 300 HB3 LEU 39 2HB LEU 39 2.134 -1.774 -8.297 301 HG LEU 39 HG LEU 39 0.433 -0.068 -9.079 302 HD11 LEU 39 1HD1 LEU 39 2.241 0.443 -11.074 303 HD12 LEU 39 2HD1 LEU 39 0.529 0.845 -11.175 304 HD13 LEU 39 3HD1 LEU 39 1.131 -0.643 -11.896 305 HD21 LEU 39 3HD2 LEU 39 0.749 -2.571 -10.749 306 HD22 LEU 39 1HD2 LEU 39 -0.750 -1.701 -10.463 307 HD23 LEU 39 2HD2 LEU 39 0.055 -2.510 -9.127 308 H ALA 40 H ALA 40 1.652 2.080 -9.250 309 HA ALA 40 HA ALA 40 0.712 2.602 -6.495 310 HB1 ALA 40 1HB ALA 40 1.430 4.289 -8.786 311 HB2 ALA 40 2HB ALA 40 1.348 4.689 -7.073 312 HB3 ALA 40 3HB ALA 40 -0.115 4.719 -8.054 313 H ASP 41 H ASP 41 -0.141 1.970 -9.787 314 HA ASP 41 HA ASP 41 -3.013 2.106 -9.336 315 HB2 ASP 41 1HB ASP 41 -1.639 2.586 -11.559 316 HB3 ASP 41 2HB ASP 41 -1.754 0.846 -11.757 317 H GLU 42 H GLU 42 -2.181 0.366 -7.495 318 HA GLU 42 HA GLU 42 -1.503 -2.167 -7.948 319 HB2 GLU 42 1HB GLU 42 -3.544 -1.034 -6.095 320 HB3 GLU 42 2HB GLU 42 -3.257 -2.783 -6.149 321 HG2 GLU 42 1HG GLU 42 -1.072 -2.594 -5.442 322 HG3 GLU 42 2HG GLU 42 -0.877 -0.974 -6.105 323 H SER 43 H SER 43 -4.532 -0.820 -9.007 324 HA SER 43 HA SER 43 -5.966 -3.156 -9.600 325 HB2 SER 43 1HB SER 43 -6.051 -1.167 -11.715 326 HB3 SER 43 2HB SER 43 -7.324 -1.660 -10.603 327 HG SER 43 HG SER 43 -5.447 0.409 -10.436 328 H GLN 44 H GLN 44 -3.219 -1.655 -10.913 329 HA GLN 44 HA GLN 44 -3.037 -3.276 -13.315 330 HB2 GLN 44 1HB GLN 44 -1.421 -0.981 -12.220 331 HB3 GLN 44 2HB GLN 44 -1.096 -1.772 -13.739 332 HG2 GLN 44 1HG GLN 44 -3.596 -0.269 -12.984 333 HG3 GLN 44 2HG GLN 44 -2.389 0.234 -14.157 334 HE21 GLN 44 2HE2 GLN 44 -5.087 0.002 -14.958 335 HE22 GLN 44 1HE2 GLN 44 -5.239 -1.321 -16.012 336 H ALA 45 H ALA 45 -2.001 -3.413 -10.100 337 HA ALA 45 HA ALA 45 0.575 -4.211 -9.939 338 HB1 ALA 45 1HB ALA 45 -1.849 -5.560 -8.778 339 HB2 ALA 45 2HB ALA 45 -0.820 -4.358 -8.010 340 HB3 ALA 45 3HB ALA 45 -0.199 -5.981 -8.320 341 H GLU 46 H GLU 46 -1.951 -6.551 -10.431 342 HA GLU 46 HA GLU 46 -0.460 -8.737 -11.220 343 HB2 GLU 46 1HB GLU 46 -2.561 -9.412 -12.389 344 HB3 GLU 46 2HB GLU 46 -2.839 -8.833 -10.746 345 HG2 GLU 46 1HG GLU 46 -3.146 -6.492 -11.885 346 HG3 GLU 46 2HG GLU 46 -3.392 -7.426 -13.359 347 H ARG 47 H ARG 47 -1.807 -6.117 -13.109 348 HA ARG 47 HA ARG 47 -1.063 -6.931 -15.686 349 HB2 ARG 47 1HB ARG 47 -2.550 -4.927 -14.744 350 HB3 ARG 47 2HB ARG 47 -1.037 -4.053 -14.960 351 HG2 ARG 47 1HG ARG 47 -1.298 -5.538 -17.299 352 HG3 ARG 47 2HG ARG 47 -2.936 -4.958 -16.958 353 HD2 ARG 47 1HD ARG 47 -1.422 -2.776 -16.319 354 HD3 ARG 47 2HD ARG 47 -0.521 -3.441 -17.672 355 HE ARG 47 HE ARG 47 -2.892 -1.982 -17.895 356 HH11 ARG 47 1HH2 ARG 47 -1.605 -5.029 -18.959 357 HH12 ARG 47 2HH2 ARG 47 -2.558 -5.080 -20.403 358 HH21 ARG 47 1HH1 ARG 47 -4.121 -2.041 -19.795 359 HH22 ARG 47 2HH1 ARG 47 -3.984 -3.390 -20.871 360 H VAL 48 H VAL 48 0.335 -4.386 -13.789 361 HA VAL 48 HA VAL 48 2.707 -4.004 -15.156 362 HB VAL 48 HB VAL 48 2.147 -3.789 -12.194 363 HG11 VAL 48 1HG1 VAL 48 4.067 -2.379 -14.048 364 HG12 VAL 48 2HG1 VAL 48 4.509 -3.562 -12.840 365 HG13 VAL 48 3HG1 VAL 48 3.841 -2.014 -12.346 366 HG21 VAL 48 3HG2 VAL 48 1.905 -1.363 -13.651 367 HG22 VAL 48 1HG2 VAL 48 0.640 -2.241 -12.793 368 HG23 VAL 48 2HG2 VAL 48 0.948 -2.581 -14.488 369 H ARG 49 H ARG 49 2.275 -5.826 -12.159 370 HA ARG 49 HA ARG 49 4.749 -6.993 -12.003 371 HB2 ARG 49 1HB ARG 49 3.020 -7.297 -10.261 372 HB3 ARG 49 2HB ARG 49 2.110 -8.348 -11.350 373 HG2 ARG 49 1HG ARG 49 3.850 -9.993 -11.358 374 HG3 ARG 49 2HG ARG 49 4.979 -8.898 -10.559 375 HD2 ARG 49 1HD ARG 49 3.807 -9.020 -8.498 376 HD3 ARG 49 2HD ARG 49 2.376 -9.704 -9.261 377 HE ARG 49 HE ARG 49 3.337 -11.794 -9.036 378 HH11 ARG 49 1HH2 ARG 49 5.757 -9.315 -8.789 379 HH12 ARG 49 2HH2 ARG 49 7.048 -10.418 -8.443 380 HH21 ARG 49 1HH1 ARG 49 5.019 -13.237 -8.558 381 HH22 ARG 49 2HH1 ARG 49 6.627 -12.645 -8.306 382 H ALA 50 H ALA 50 2.049 -7.827 -14.068 383 HA ALA 50 HA ALA 50 3.265 -10.235 -15.128 384 HB1 ALA 50 1HB ALA 50 0.900 -10.257 -15.230 385 HB2 ALA 50 2HB ALA 50 1.387 -9.887 -16.883 386 HB3 ALA 50 3HB ALA 50 0.824 -8.601 -15.824 387 H GLU 51 H GLU 51 2.595 -6.946 -16.248 388 HA GLU 51 HA GLU 51 3.573 -6.881 -18.776 389 HB2 GLU 51 1HB GLU 51 3.954 -4.865 -16.561 390 HB3 GLU 51 2HB GLU 51 4.408 -4.547 -18.232 391 HG2 GLU 51 1HG GLU 51 1.665 -5.627 -17.735 392 HG3 GLU 51 2HG GLU 51 1.967 -3.938 -17.332 393 H LEU 52 H LEU 52 5.624 -6.334 -15.903 394 HA LEU 52 HA LEU 52 8.026 -6.012 -16.953 395 HB2 LEU 52 1HB LEU 52 7.221 -7.783 -14.694 396 HB3 LEU 52 2HB LEU 52 8.913 -7.669 -15.190 397 HG LEU 52 HG LEU 52 8.210 -6.046 -13.386 398 HD11 LEU 52 1HD1 LEU 52 9.042 -4.234 -15.485 399 HD12 LEU 52 2HD1 LEU 52 9.882 -5.780 -15.627 400 HD13 LEU 52 3HD1 LEU 52 9.977 -4.863 -14.134 401 HD21 LEU 52 3HD2 LEU 52 6.706 -4.825 -15.704 402 HD22 LEU 52 1HD2 LEU 52 7.065 -3.991 -14.197 403 HD23 LEU 52 2HD2 LEU 52 6.024 -5.405 -14.185 404 H ALA 53 H ALA 53 7.008 -9.374 -16.320 405 HA ALA 53 HA ALA 53 8.934 -10.707 -17.738 406 HB1 ALA 53 1HB ALA 53 6.295 -11.803 -18.321 407 HB2 ALA 53 2HB ALA 53 6.519 -11.430 -16.612 408 HB3 ALA 53 3HB ALA 53 7.641 -12.516 -17.434 409 H ARG 54 H ARG 54 6.106 -9.064 -18.989 410 HA ARG 54 HA ARG 54 6.603 -9.927 -21.731 411 HB2 ARG 54 1HB ARG 54 4.813 -7.628 -21.019 412 HB3 ARG 54 2HB ARG 54 4.620 -8.848 -22.275 413 HG2 ARG 54 1HG ARG 54 4.147 -10.553 -20.554 414 HG3 ARG 54 2HG ARG 54 4.344 -9.336 -19.296 415 HD2 ARG 54 1HD ARG 54 2.096 -9.731 -21.207 416 HD3 ARG 54 2HD ARG 54 2.068 -9.200 -19.531 417 HE ARG 54 HE ARG 54 2.348 -6.979 -20.247 418 HH11 ARG 54 1HH2 ARG 54 2.756 -9.227 -22.870 419 HH12 ARG 54 2HH2 ARG 54 2.759 -7.995 -24.098 420 HH21 ARG 54 1HH1 ARG 54 2.320 -5.392 -21.823 421 HH22 ARG 54 2HH1 ARG 54 2.511 -5.819 -23.501 422 H PHE 55 H PHE 55 6.515 -6.930 -19.952 423 HA PHE 55 HA PHE 55 7.580 -5.118 -21.690 424 HB2 PHE 55 1HB PHE 55 6.947 -4.131 -19.752 425 HB3 PHE 55 2HB PHE 55 7.423 -5.514 -18.778 426 HD1 PHE 55 HD1 PHE 55 8.641 -2.531 -20.535 427 HD2 PHE 55 HD2 PHE 55 9.529 -5.626 -17.728 428 HE1 PHE 55 HE1 PHE 55 10.717 -1.329 -19.873 429 HE2 PHE 55 HE2 PHE 55 11.603 -4.450 -17.067 430 HZ PHE 55 HZ PHE 55 12.203 -2.289 -18.135 431 H LEU 56 H LEU 56 9.083 -7.785 -20.141 432 HA LEU 56 HA LEU 56 11.807 -6.895 -20.539 433 HB2 LEU 56 1HB LEU 56 10.442 -9.361 -19.534 434 HB3 LEU 56 2HB LEU 56 12.105 -9.476 -20.063 435 HG LEU 56 HG LEU 56 12.872 -8.482 -18.199 436 HD11 LEU 56 1HD1 LEU 56 11.525 -6.426 -17.300 437 HD12 LEU 56 2HD1 LEU 56 10.716 -6.520 -18.854 438 HD13 LEU 56 3HD1 LEU 56 12.459 -6.265 -18.787 439 HD21 LEU 56 3HD2 LEU 56 11.635 -9.130 -16.393 440 HD22 LEU 56 1HD2 LEU 56 10.569 -9.827 -17.609 441 HD23 LEU 56 2HD2 LEU 56 10.213 -8.240 -16.933 442 H GLU 57 H GLU 57 9.707 -9.413 -21.932 443 HA GLU 57 HA GLU 57 11.595 -9.841 -24.115 444 HB2 GLU 57 1HB GLU 57 9.373 -11.279 -24.803 445 HB3 GLU 57 2HB GLU 57 10.714 -11.900 -23.850 446 HG2 GLU 57 1HG GLU 57 9.537 -11.728 -21.837 447 HG3 GLU 57 2HG GLU 57 8.472 -10.465 -22.453 448 H ASN 58 H ASN 58 8.902 -7.824 -23.481 449 HA ASN 58 HA ASN 58 8.895 -6.971 -26.272 450 HB2 ASN 58 1HB ASN 58 6.866 -8.784 -25.167 451 HB3 ASN 58 2HB ASN 58 6.208 -7.389 -26.012 452 HD21 ASN 58 2HD2 ASN 58 6.663 -10.458 -26.721 453 HD22 ASN 58 1HD2 ASN 58 7.296 -10.367 -28.291 454 HA PRO 59 HA PRO 59 7.501 -3.765 -23.118 455 HB2 PRO 59 1HB PRO 59 9.635 -2.051 -23.522 456 HB3 PRO 59 2HB PRO 59 9.590 -3.274 -22.245 457 HG2 PRO 59 1HG PRO 59 10.962 -3.328 -24.876 458 HG3 PRO 59 2HG PRO 59 11.486 -3.979 -23.314 459 HD2 PRO 59 1HD PRO 59 10.463 -5.542 -25.316 460 HD3 PRO 59 2HD PRO 59 10.323 -5.956 -23.596 461 H ALA 60 H ALA 60 8.387 -1.151 -24.061 462 HA ALA 60 HA ALA 60 7.905 0.461 -25.603 463 HB1 ALA 60 1HB ALA 60 9.297 -0.806 -27.117 464 HB2 ALA 60 2HB ALA 60 7.882 -0.242 -28.004 465 HB3 ALA 60 3HB ALA 60 7.973 -1.916 -27.473 466 H ASP 61 H ASP 61 5.879 -2.444 -26.040 467 HA ASP 61 HA ASP 61 3.543 -0.627 -26.261 468 HB2 ASP 61 1HB ASP 61 4.420 -2.077 -28.342 469 HB3 ASP 61 2HB ASP 61 3.413 -3.294 -27.560 470 H LEU 62 H LEU 62 1.475 -2.024 -26.025 471 HA LEU 62 HA LEU 62 1.685 -3.340 -23.419 472 HB2 LEU 62 1HB LEU 62 -0.211 -1.623 -24.614 473 HB3 LEU 62 2HB LEU 62 -0.999 -3.195 -24.495 474 HG LEU 62 HG LEU 62 0.363 -1.722 -22.226 475 HD11 LEU 62 1HD1 LEU 62 -2.530 -2.182 -22.998 476 HD12 LEU 62 2HD1 LEU 62 -1.726 -0.643 -22.683 477 HD13 LEU 62 3HD1 LEU 62 -2.057 -1.753 -21.354 478 HD21 LEU 62 3HD2 LEU 62 -0.683 -3.537 -20.842 479 HD22 LEU 62 1HD2 LEU 62 0.572 -4.133 -21.925 480 HD23 LEU 62 2HD2 LEU 62 -1.129 -4.361 -22.335 481 H ASP 63 H ASP 63 1.977 -4.267 -26.515 482 HA ASP 63 HA ASP 63 0.212 -6.490 -26.706 483 HB2 ASP 63 1HB ASP 63 2.303 -5.286 -28.294 484 HB3 ASP 63 2HB ASP 63 2.486 -7.037 -28.268 Start of MODEL 7 1 H1 MET 1 H MET 1 0.010 0.896 -1.536 2 HA MET 1 HA MET 1 0.801 1.630 -4.291 3 HB2 MET 1 1HB MET 1 2.034 2.167 -1.633 4 HB3 MET 1 2HB MET 1 3.117 1.592 -2.897 5 HG2 MET 1 1HG MET 1 1.249 3.965 -3.154 6 HG3 MET 1 2HG MET 1 2.989 4.063 -2.886 7 HE1 MET 1 3HE MET 1 4.660 2.971 -6.037 8 HE2 MET 1 1HE MET 1 4.405 2.013 -4.575 9 HE3 MET 1 2HE MET 1 4.744 3.735 -4.452 10 H LEU 2 H LEU 2 2.430 0.086 -5.098 11 HA LEU 2 HA LEU 2 2.375 -2.506 -3.685 12 HB2 LEU 2 1HB LEU 2 0.645 -2.102 -5.605 13 HB3 LEU 2 2HB LEU 2 2.021 -2.424 -6.633 14 HG LEU 2 HG LEU 2 2.372 -4.445 -4.984 15 HD11 LEU 2 1HD1 LEU 2 0.156 -3.401 -3.846 16 HD12 LEU 2 2HD1 LEU 2 0.535 -5.123 -3.812 17 HD13 LEU 2 3HD1 LEU 2 -0.599 -4.495 -5.010 18 HD21 LEU 2 3HD2 LEU 2 0.786 -4.001 -7.444 19 HD22 LEU 2 1HD2 LEU 2 0.490 -5.534 -6.622 20 HD23 LEU 2 2HD2 LEU 2 2.119 -5.115 -7.151 21 H MET 3 H MET 3 4.020 -3.950 -4.199 22 HA MET 3 HA MET 3 6.381 -2.726 -5.440 23 HB2 MET 3 1HB MET 3 6.349 -3.929 -3.086 24 HB3 MET 3 2HB MET 3 6.425 -5.398 -4.062 25 HG2 MET 3 1HG MET 3 8.339 -3.105 -4.519 26 HG3 MET 3 2HG MET 3 8.664 -4.361 -3.322 27 HE1 MET 3 3HE MET 3 10.803 -4.902 -6.687 28 HE2 MET 3 1HE MET 3 10.823 -4.194 -5.066 29 HE3 MET 3 2HE MET 3 9.978 -3.379 -6.377 30 H ILE 4 H ILE 4 6.943 -3.324 -7.452 31 HA ILE 4 HA ILE 4 5.561 -5.660 -8.612 32 HB ILE 4 HB ILE 4 6.628 -3.099 -9.789 33 HG12 ILE 4 1HG1 ILE 4 4.315 -3.279 -8.766 34 HG13 ILE 4 2HG1 ILE 4 4.360 -2.761 -10.452 35 HG21 ILE 4 1HG2 ILE 4 5.862 -5.672 -11.196 36 HG22 ILE 4 2HG2 ILE 4 7.356 -4.748 -11.358 37 HG23 ILE 4 3HG2 ILE 4 5.856 -4.106 -12.003 38 HD11 ILE 4 3HD1 ILE 4 4.068 -5.679 -9.789 39 HD12 ILE 4 1HD1 ILE 4 3.564 -4.810 -11.235 40 HD13 ILE 4 2HD1 ILE 4 2.661 -4.621 -9.739 41 H THR 5 H THR 5 8.569 -3.854 -9.055 42 HA THR 5 HA THR 5 10.137 -6.298 -9.098 43 HB THR 5 HB THR 5 9.007 -6.105 -11.390 44 HG1 THR 5 HG1 THR 5 10.806 -7.179 -11.628 45 HG21 THR 5 3HG2 THR 5 9.329 -4.235 -12.697 46 HG22 THR 5 1HG2 THR 5 10.824 -3.795 -11.879 47 HG23 THR 5 2HG2 THR 5 9.272 -3.507 -11.103 48 H SER 6 H SER 6 12.336 -5.469 -10.253 49 HA SER 6 HA SER 6 12.930 -2.752 -9.387 50 HB2 SER 6 1HB SER 6 15.174 -3.868 -8.540 51 HB3 SER 6 2HB SER 6 13.786 -3.601 -7.493 52 HG SER 6 HG SER 6 14.841 -5.959 -8.523 53 H PHE 7 H PHE 7 14.294 -1.786 -10.729 54 HA PHE 7 HA PHE 7 15.141 -3.402 -13.032 55 HB2 PHE 7 1HB PHE 7 14.521 -0.480 -12.634 56 HB3 PHE 7 2HB PHE 7 15.327 -1.080 -14.078 57 HD1 PHE 7 HD1 PHE 7 13.160 -3.559 -12.734 58 HD2 PHE 7 HD2 PHE 7 13.141 -0.012 -15.115 59 HE1 PHE 7 HE1 PHE 7 10.992 -4.215 -13.673 60 HE2 PHE 7 HE2 PHE 7 10.945 -0.673 -16.035 61 HZ PHE 7 HZ PHE 7 9.870 -2.760 -15.323 62 H ALA 8 H ALA 8 17.187 -3.554 -13.672 63 HA ALA 8 HA ALA 8 19.337 -3.152 -11.950 64 HB1 ALA 8 1HB ALA 8 19.655 -4.589 -13.827 65 HB2 ALA 8 2HB ALA 8 20.714 -3.211 -14.100 66 HB3 ALA 8 3HB ALA 8 19.184 -3.330 -14.965 67 H ASN 9 H ASN 9 17.650 -1.016 -14.045 68 HA ASN 9 HA ASN 9 19.487 1.170 -13.344 69 HB2 ASN 9 1HB ASN 9 18.094 0.702 -15.983 70 HB3 ASN 9 2HB ASN 9 18.931 2.179 -15.558 71 HD21 ASN 9 2HD2 ASN 9 19.531 -1.361 -15.590 72 HD22 ASN 9 1HD2 ASN 9 21.133 -1.232 -16.129 73 HA PRO 10 HA PRO 10 15.748 3.273 -12.145 74 HB2 PRO 10 1HB PRO 10 16.601 5.808 -12.044 75 HB3 PRO 10 2HB PRO 10 17.317 4.579 -10.976 76 HG2 PRO 10 1HG PRO 10 18.377 5.726 -13.511 77 HG3 PRO 10 2HG PRO 10 19.216 5.350 -11.997 78 HD2 PRO 10 1HD PRO 10 19.205 3.708 -14.241 79 HD3 PRO 10 2HD PRO 10 19.567 3.168 -12.587 80 H ARG 11 H ARG 11 17.544 4.662 -14.864 81 HA ARG 11 HA ARG 11 15.527 6.184 -16.079 82 HB2 ARG 11 1HB ARG 11 17.078 4.861 -18.114 83 HB3 ARG 11 2HB ARG 11 17.179 6.536 -17.584 84 HG2 ARG 11 1HG ARG 11 18.834 6.036 -15.954 85 HG3 ARG 11 2HG ARG 11 18.499 4.305 -16.037 86 HD2 ARG 11 1HD ARG 11 19.141 4.870 -18.641 87 HD3 ARG 11 2HD ARG 11 20.216 5.946 -17.751 88 HE ARG 11 HE ARG 11 20.053 3.033 -17.183 89 HH11 ARG 11 1HH2 ARG 11 21.868 5.908 -17.885 90 HH12 ARG 11 2HH2 ARG 11 23.391 5.210 -17.475 91 HH21 ARG 11 1HH1 ARG 11 22.050 2.108 -16.644 92 HH22 ARG 11 2HH1 ARG 11 23.504 3.052 -16.758 93 H VAL 12 H VAL 12 16.573 2.887 -16.786 94 HA VAL 12 HA VAL 12 14.627 1.981 -18.514 95 HB VAL 12 HB VAL 12 16.611 0.733 -17.751 96 HG11 VAL 12 1HG1 VAL 12 16.649 -0.302 -15.549 97 HG12 VAL 12 2HG1 VAL 12 15.088 0.419 -15.168 98 HG13 VAL 12 3HG1 VAL 12 16.494 1.449 -15.411 99 HG21 VAL 12 3HG2 VAL 12 15.625 -1.472 -17.506 100 HG22 VAL 12 1HG2 VAL 12 14.711 -0.540 -18.693 101 HG23 VAL 12 2HG2 VAL 12 14.079 -0.750 -17.061 102 H ALA 13 H ALA 13 14.619 2.297 -15.055 103 HA ALA 13 HA ALA 13 12.073 1.190 -14.477 104 HB1 ALA 13 1HB ALA 13 14.242 1.934 -13.046 105 HB2 ALA 13 2HB ALA 13 12.651 1.705 -12.330 106 HB3 ALA 13 3HB ALA 13 13.199 3.321 -12.762 107 H GLN 14 H GLN 14 13.135 4.580 -14.397 108 HA GLN 14 HA GLN 14 10.607 5.720 -14.235 109 HB2 GLN 14 1HB GLN 14 13.070 6.800 -15.619 110 HB3 GLN 14 2HB GLN 14 11.657 7.752 -15.165 111 HG2 GLN 14 1HG GLN 14 12.130 7.643 -12.904 112 HG3 GLN 14 2HG GLN 14 12.982 6.108 -13.049 113 HE21 GLN 14 2HE2 GLN 14 15.133 6.275 -14.319 114 HE22 GLN 14 1HE2 GLN 14 16.059 7.677 -14.079 115 H ALA 15 H ALA 15 12.421 4.580 -17.039 116 HA ALA 15 HA ALA 15 10.725 5.634 -19.043 117 HB1 ALA 15 1HB ALA 15 11.660 3.615 -20.385 118 HB2 ALA 15 2HB ALA 15 12.648 3.322 -18.954 119 HB3 ALA 15 3HB ALA 15 12.792 4.848 -19.827 120 H PHE 16 H PHE 16 10.836 2.409 -17.569 121 HA PHE 16 HA PHE 16 8.593 1.313 -18.865 122 HB2 PHE 16 1HB PHE 16 10.150 -0.093 -17.671 123 HB3 PHE 16 2HB PHE 16 9.790 0.731 -16.158 124 HD1 PHE 16 HD1 PHE 16 7.821 -0.893 -18.933 125 HD2 PHE 16 HD2 PHE 16 8.432 -0.412 -14.710 126 HE1 PHE 16 HE1 PHE 16 6.116 -2.643 -18.476 127 HE2 PHE 16 HE2 PHE 16 6.725 -2.151 -14.255 128 HZ PHE 16 HZ PHE 16 5.557 -3.255 -16.146 129 H VAL 17 H VAL 17 8.848 2.517 -15.528 130 HA VAL 17 HA VAL 17 6.122 2.425 -14.976 131 HB VAL 17 HB VAL 17 6.585 3.896 -13.131 132 HG11 VAL 17 1HG1 VAL 17 8.205 2.580 -12.083 133 HG12 VAL 17 2HG1 VAL 17 9.197 2.460 -13.530 134 HG13 VAL 17 3HG1 VAL 17 7.704 1.538 -13.413 135 HG21 VAL 17 3HG2 VAL 17 8.941 4.954 -13.086 136 HG22 VAL 17 1HG2 VAL 17 7.719 5.718 -14.097 137 HG23 VAL 17 2HG2 VAL 17 8.944 4.684 -14.826 138 H ASP 18 H ASP 18 8.080 5.017 -16.460 139 HA ASP 18 HA ASP 18 5.950 6.869 -16.623 140 HB2 ASP 18 1HB ASP 18 8.300 7.521 -17.061 141 HB3 ASP 18 2HB ASP 18 8.279 6.562 -18.539 142 H TYR 19 H TYR 19 7.123 4.262 -18.656 143 HA TYR 19 HA TYR 19 5.309 4.567 -20.807 144 HB2 TYR 19 1HB TYR 19 6.848 2.985 -21.446 145 HB3 TYR 19 2HB TYR 19 7.104 2.422 -19.797 146 HD1 TYR 19 HD1 TYR 19 4.591 2.437 -22.524 147 HD2 TYR 19 HD2 TYR 19 6.098 0.407 -19.060 148 HE1 TYR 19 HE1 TYR 19 2.996 0.597 -22.927 149 HE2 TYR 19 HE2 TYR 19 4.500 -1.443 -19.458 150 HH TYR 19 HH TYR 19 3.086 -2.090 -22.213 151 H MET 20 H MET 20 5.286 2.363 -18.011 152 HA MET 20 HA MET 20 2.713 1.350 -18.225 153 HB2 MET 20 1HB MET 20 4.232 2.058 -15.710 154 HB3 MET 20 2HB MET 20 2.832 0.993 -15.791 155 HG2 MET 20 1HG MET 20 4.610 0.065 -17.771 156 HG3 MET 20 2HG MET 20 5.606 0.385 -16.359 157 HE1 MET 20 3HE MET 20 1.745 -0.596 -16.132 158 HE2 MET 20 1HE MET 20 1.910 -2.297 -16.571 159 HE3 MET 20 2HE MET 20 2.415 -1.042 -17.694 160 H ALA 21 H ALA 21 3.886 4.234 -16.581 161 HA ALA 21 HA ALA 21 1.438 5.248 -15.662 162 HB1 ALA 21 1HB ALA 21 2.657 7.433 -15.624 163 HB2 ALA 21 2HB ALA 21 3.979 6.660 -16.496 164 HB3 ALA 21 3HB ALA 21 3.560 6.119 -14.874 165 H THR 22 H THR 22 3.091 5.447 -18.762 166 HA THR 22 HA THR 22 1.423 7.390 -19.955 167 HB THR 22 HB THR 22 3.642 5.745 -20.655 168 HG1 THR 22 HG1 THR 22 3.577 7.899 -21.118 169 HG21 THR 22 3HG2 THR 22 1.350 5.523 -22.612 170 HG22 THR 22 1HG2 THR 22 2.059 4.202 -21.691 171 HG23 THR 22 2HG2 THR 22 3.014 5.029 -22.914 172 H GLN 23 H GLN 23 1.360 3.929 -19.507 173 HA GLN 23 HA GLN 23 -1.064 3.444 -20.969 174 HB2 GLN 23 1HB GLN 23 0.327 1.765 -18.893 175 HB3 GLN 23 2HB GLN 23 -0.959 1.227 -19.969 176 HG2 GLN 23 1HG GLN 23 1.041 2.451 -21.589 177 HG3 GLN 23 2HG GLN 23 1.863 1.348 -20.489 178 HE21 GLN 23 2HE2 GLN 23 0.471 1.416 -23.505 179 HE22 GLN 23 1HE2 GLN 23 0.009 -0.213 -23.628 180 H GLY 24 H GLY 24 -0.454 5.177 -18.324 181 HA2 GLY 24 1HA GLY 24 -1.904 6.110 -16.783 182 HA3 GLY 24 2HA GLY 24 -3.153 4.980 -17.310 183 H VAL 25 H VAL 25 -0.357 3.358 -16.889 184 HA VAL 25 HA VAL 25 -1.165 2.252 -14.287 185 HB VAL 25 HB VAL 25 0.998 1.286 -16.147 186 HG11 VAL 25 1HG1 VAL 25 -0.481 0.283 -13.787 187 HG12 VAL 25 2HG1 VAL 25 1.188 0.005 -14.278 188 HG13 VAL 25 3HG1 VAL 25 -0.123 -0.891 -15.055 189 HG21 VAL 25 3HG2 VAL 25 -1.967 0.659 -16.262 190 HG22 VAL 25 1HG2 VAL 25 -0.724 -0.211 -17.157 191 HG23 VAL 25 2HG2 VAL 25 -1.035 1.487 -17.500 192 H ILE 26 H ILE 26 -0.443 3.565 -12.797 193 HA ILE 26 HA ILE 26 2.050 4.917 -13.053 194 HB ILE 26 HB ILE 26 0.572 4.738 -10.478 195 HG12 ILE 26 1HG1 ILE 26 -0.717 6.790 -11.598 196 HG13 ILE 26 2HG1 ILE 26 -0.405 5.879 -13.075 197 HG21 ILE 26 1HG2 ILE 26 2.541 6.039 -10.447 198 HG22 ILE 26 2HG2 ILE 26 1.229 7.208 -10.617 199 HG23 ILE 26 3HG2 ILE 26 2.186 6.748 -12.024 200 HD11 ILE 26 3HD1 ILE 26 -1.946 4.300 -12.547 201 HD12 ILE 26 1HD1 ILE 26 -2.516 5.431 -11.324 202 HD13 ILE 26 2HD1 ILE 26 -1.364 4.175 -10.886 203 H LEU 27 H LEU 27 3.870 3.839 -12.903 204 HA LEU 27 HA LEU 27 4.223 2.034 -10.606 205 HB2 LEU 27 1HB LEU 27 5.619 2.222 -13.230 206 HB3 LEU 27 2HB LEU 27 6.550 1.730 -11.823 207 HG LEU 27 HG LEU 27 4.056 0.317 -11.813 208 HD11 LEU 27 1HD1 LEU 27 5.092 -0.967 -14.005 209 HD12 LEU 27 2HD1 LEU 27 5.341 0.717 -14.433 210 HD13 LEU 27 3HD1 LEU 27 3.719 0.136 -14.051 211 HD21 LEU 27 3HD2 LEU 27 6.188 -0.354 -10.723 212 HD22 LEU 27 1HD2 LEU 27 6.917 -0.573 -12.313 213 HD23 LEU 27 2HD2 LEU 27 5.587 -1.611 -11.804 214 H THR 28 H THR 28 7.010 2.471 -10.359 215 HA THR 28 HA THR 28 7.862 5.100 -10.460 216 HB THR 28 HB THR 28 6.454 4.424 -7.871 217 HG1 THR 28 HG1 THR 28 5.517 5.673 -9.747 218 HG21 THR 28 3HG2 THR 28 8.669 5.190 -7.243 219 HG22 THR 28 1HG2 THR 28 7.519 6.496 -6.958 220 HG23 THR 28 2HG2 THR 28 8.563 6.536 -8.380 221 H ILE 29 H ILE 29 9.912 5.369 -9.379 222 HA ILE 29 HA ILE 29 11.174 2.781 -8.839 223 HB ILE 29 HB ILE 29 12.860 5.207 -8.883 224 HG12 ILE 29 1HG1 ILE 29 11.142 5.817 -10.564 225 HG13 ILE 29 2HG1 ILE 29 12.692 5.475 -11.320 226 HG21 ILE 29 1HG2 ILE 29 13.952 3.107 -8.895 227 HG22 ILE 29 2HG2 ILE 29 14.059 3.673 -10.563 228 HG23 ILE 29 3HG2 ILE 29 12.866 2.450 -10.120 229 HD11 ILE 29 3HD1 ILE 29 11.429 4.144 -12.681 230 HD12 ILE 29 1HD1 ILE 29 10.141 3.974 -11.497 231 HD13 ILE 29 2HD1 ILE 29 11.596 2.992 -11.362 232 H GLN 30 H GLN 30 11.718 2.184 -6.849 233 HA GLN 30 HA GLN 30 11.369 4.112 -4.662 234 HB2 GLN 30 1HB GLN 30 11.114 1.203 -4.959 235 HB3 GLN 30 2HB GLN 30 11.982 1.679 -3.508 236 HG2 GLN 30 1HG GLN 30 9.281 2.769 -4.326 237 HG3 GLN 30 2HG GLN 30 9.545 1.506 -3.120 238 HE21 GLN 30 2HE2 GLN 30 8.507 4.374 -2.833 239 HE22 GLN 30 1HE2 GLN 30 9.497 5.055 -1.637 240 H GLN 31 H GLN 31 13.152 5.260 -4.229 241 HA GLN 31 HA GLN 31 15.750 4.572 -4.963 242 HB2 GLN 31 1HB GLN 31 14.903 6.860 -4.242 243 HB3 GLN 31 2HB GLN 31 15.067 6.294 -2.582 244 HG2 GLN 31 1HG GLN 31 17.193 7.113 -2.794 245 HG3 GLN 31 2HG GLN 31 17.493 5.565 -3.569 246 HE21 GLN 31 2HE2 GLN 31 15.592 6.719 -5.846 247 HE22 GLN 31 1HE2 GLN 31 16.672 7.646 -6.768 248 H HIS 32 H HIS 32 16.527 2.652 -4.401 249 HA HIS 32 HA HIS 32 17.191 2.195 -1.594 250 HB2 HIS 32 1HB HIS 32 15.206 0.612 -3.123 251 HB3 HIS 32 2HB HIS 32 16.444 -0.341 -2.309 252 HD1 HIS 32 HD1 HIS 32 15.070 2.920 -0.962 253 HD2 HIS 32 HD2 HIS 32 14.860 -1.170 -0.144 254 HE1 HIS 32 HE1 HIS 32 13.833 2.679 1.239 255 H ASN 33 H ASN 33 18.209 -0.384 -1.928 256 HA ASN 33 HA ASN 33 20.735 0.059 -2.987 257 HB2 ASN 33 1HB ASN 33 20.428 -1.807 -1.554 258 HB3 ASN 33 2HB ASN 33 19.167 -2.486 -2.581 259 HD21 ASN 33 2HD2 ASN 33 22.658 -1.578 -2.762 260 HD22 ASN 33 1HD2 ASN 33 23.075 -2.856 -3.795 261 H GLN 34 H GLN 34 17.783 -0.592 -4.638 262 HA GLN 34 HA GLN 34 19.126 -0.362 -7.205 263 HB2 GLN 34 1HB GLN 34 19.084 -2.829 -6.604 264 HB3 GLN 34 2HB GLN 34 17.328 -2.731 -6.702 265 HG2 GLN 34 1HG GLN 34 17.395 -2.135 -9.015 266 HG3 GLN 34 2HG GLN 34 19.132 -1.844 -8.961 267 HE21 GLN 34 2HE2 GLN 34 20.531 -3.662 -9.213 268 HE22 GLN 34 1HE2 GLN 34 19.958 -5.241 -9.470 269 H SER 35 H SER 35 17.497 -0.265 -9.001 270 HA SER 35 HA SER 35 15.465 1.614 -8.391 271 HB2 SER 35 1HB SER 35 15.230 0.187 -10.936 272 HB3 SER 35 2HB SER 35 15.407 1.908 -10.616 273 HG SER 35 HG SER 35 17.306 -0.035 -11.125 274 H ASP 36 H ASP 36 14.354 0.328 -6.698 275 HA ASP 36 HA ASP 36 12.776 -1.943 -7.450 276 HB2 ASP 36 1HB ASP 36 12.842 -0.084 -5.118 277 HB3 ASP 36 2HB ASP 36 11.332 -0.929 -5.433 278 H VAL 37 H VAL 37 11.230 -1.869 -8.896 279 HA VAL 37 HA VAL 37 9.931 0.690 -9.462 280 HB VAL 37 HB VAL 37 9.207 -1.686 -11.051 281 HG11 VAL 37 1HG1 VAL 37 8.596 0.626 -11.645 282 HG12 VAL 37 2HG1 VAL 37 9.610 -0.114 -12.884 283 HG13 VAL 37 3HG1 VAL 37 10.304 1.046 -11.751 284 HG21 VAL 37 3HG2 VAL 37 11.476 -2.347 -10.760 285 HG22 VAL 37 1HG2 VAL 37 12.051 -0.683 -10.826 286 HG23 VAL 37 2HG2 VAL 37 11.452 -1.465 -12.285 287 H TRP 38 H TRP 38 8.297 1.089 -8.171 288 HA TRP 38 HA TRP 38 6.575 -1.104 -7.250 289 HB2 TRP 38 1HB TRP 38 6.965 1.753 -6.355 290 HB3 TRP 38 2HB TRP 38 5.625 0.760 -5.787 291 HD1 TRP 38 HD1 TRP 38 9.375 -0.170 -6.286 292 HE1 TRP 38 HE1 TRP 38 10.197 -1.175 -4.050 293 HE3 TRP 38 HE3 TRP 38 5.166 0.377 -3.529 294 HZ2 TRP 38 HZ2 TRP 38 9.162 -1.661 -1.408 295 HZ3 TRP 38 HZ3 TRP 38 5.081 -0.336 -1.195 296 HH2 TRP 38 HH2 TRP 38 7.067 -1.362 -0.104 297 H LEU 39 H LEU 39 4.303 -0.934 -7.350 298 HA LEU 39 HA LEU 39 3.332 0.625 -9.674 299 HB2 LEU 39 1HB LEU 39 3.106 -2.043 -9.255 300 HB3 LEU 39 2HB LEU 39 1.626 -1.482 -8.509 301 HG LEU 39 HG LEU 39 2.516 -1.088 -11.364 302 HD11 LEU 39 1HD1 LEU 39 0.314 -2.218 -11.741 303 HD12 LEU 39 2HD1 LEU 39 0.146 -2.391 -10.000 304 HD13 LEU 39 3HD1 LEU 39 1.454 -3.212 -10.846 305 HD21 LEU 39 3HD2 LEU 39 0.126 -0.003 -11.436 306 HD22 LEU 39 1HD2 LEU 39 1.503 0.980 -10.953 307 HD23 LEU 39 2HD2 LEU 39 0.420 0.312 -9.729 308 H ALA 40 H ALA 40 1.753 2.086 -9.370 309 HA ALA 40 HA ALA 40 0.806 2.514 -6.608 310 HB1 ALA 40 1HB ALA 40 1.740 4.270 -8.548 311 HB2 ALA 40 2HB ALA 40 0.844 4.716 -7.097 312 HB3 ALA 40 3HB ALA 40 -0.010 4.467 -8.618 313 H ASP 41 H ASP 41 -0.203 2.044 -9.924 314 HA ASP 41 HA ASP 41 -3.026 1.953 -9.319 315 HB2 ASP 41 1HB ASP 41 -1.851 2.506 -11.607 316 HB3 ASP 41 2HB ASP 41 -1.774 0.764 -11.779 317 H GLU 42 H GLU 42 -2.529 0.313 -7.498 318 HA GLU 42 HA GLU 42 -1.566 -2.214 -7.942 319 HB2 GLU 42 1HB GLU 42 -3.653 -1.148 -6.083 320 HB3 GLU 42 2HB GLU 42 -3.281 -2.879 -6.122 321 HG2 GLU 42 1HG GLU 42 -1.056 -2.561 -5.520 322 HG3 GLU 42 2HG GLU 42 -1.041 -0.872 -6.029 323 H SER 43 H SER 43 -4.596 -0.874 -8.978 324 HA SER 43 HA SER 43 -5.990 -3.239 -9.607 325 HB2 SER 43 1HB SER 43 -6.031 -1.036 -11.586 326 HB3 SER 43 2HB SER 43 -7.373 -1.830 -10.763 327 HG SER 43 HG SER 43 -5.905 0.406 -10.077 328 H GLN 44 H GLN 44 -3.270 -1.615 -10.920 329 HA GLN 44 HA GLN 44 -3.135 -3.211 -13.352 330 HB2 GLN 44 1HB GLN 44 -1.485 -0.954 -12.247 331 HB3 GLN 44 2HB GLN 44 -1.149 -1.756 -13.748 332 HG2 GLN 44 1HG GLN 44 -3.806 -0.498 -13.146 333 HG3 GLN 44 2HG GLN 44 -2.496 0.371 -13.940 334 HE21 GLN 44 2HE2 GLN 44 -5.274 -0.886 -14.823 335 HE22 GLN 44 1HE2 GLN 44 -4.862 -1.617 -16.298 336 H ALA 45 H ALA 45 -2.109 -3.387 -10.151 337 HA ALA 45 HA ALA 45 0.419 -4.294 -9.948 338 HB1 ALA 45 1HB ALA 45 -0.417 -5.983 -8.331 339 HB2 ALA 45 2HB ALA 45 -2.052 -5.617 -8.870 340 HB3 ALA 45 3HB ALA 45 -1.091 -4.373 -8.075 341 H GLU 46 H GLU 46 -2.187 -6.510 -10.484 342 HA GLU 46 HA GLU 46 -0.815 -8.774 -11.267 343 HB2 GLU 46 1HB GLU 46 -2.957 -9.391 -12.339 344 HB3 GLU 46 2HB GLU 46 -3.220 -8.645 -10.755 345 HG2 GLU 46 1HG GLU 46 -3.345 -6.404 -12.088 346 HG3 GLU 46 2HG GLU 46 -3.620 -7.432 -13.493 347 H ARG 47 H ARG 47 -1.823 -5.991 -13.131 348 HA ARG 47 HA ARG 47 -1.145 -7.008 -15.697 349 HB2 ARG 47 1HB ARG 47 -2.670 -4.996 -15.005 350 HB3 ARG 47 2HB ARG 47 -1.160 -4.095 -15.008 351 HG2 ARG 47 1HG ARG 47 -1.173 -5.639 -17.378 352 HG3 ARG 47 2HG ARG 47 -2.774 -4.901 -17.247 353 HD2 ARG 47 1HD ARG 47 -1.961 -2.841 -17.621 354 HD3 ARG 47 2HD ARG 47 -0.660 -3.062 -16.457 355 HE ARG 47 HE ARG 47 0.277 -4.504 -18.490 356 HH11 ARG 47 1HH2 ARG 47 -1.358 -1.452 -18.578 357 HH12 ARG 47 2HH2 ARG 47 -0.407 -0.827 -19.889 358 HH21 ARG 47 1HH1 ARG 47 1.585 -3.675 -20.150 359 HH22 ARG 47 2HH1 ARG 47 1.293 -2.063 -20.754 360 H VAL 48 H VAL 48 0.232 -4.297 -14.055 361 HA VAL 48 HA VAL 48 2.634 -4.045 -15.316 362 HB VAL 48 HB VAL 48 2.061 -3.784 -12.379 363 HG11 VAL 48 1HG1 VAL 48 4.193 -2.878 -14.229 364 HG12 VAL 48 2HG1 VAL 48 4.293 -3.342 -12.533 365 HG13 VAL 48 3HG1 VAL 48 3.656 -1.767 -12.973 366 HG21 VAL 48 3HG2 VAL 48 1.506 -2.036 -14.760 367 HG22 VAL 48 1HG2 VAL 48 1.447 -1.447 -13.109 368 HG23 VAL 48 2HG2 VAL 48 0.340 -2.702 -13.641 369 H ARG 49 H ARG 49 2.111 -5.808 -12.294 370 HA ARG 49 HA ARG 49 4.562 -6.978 -12.029 371 HB2 ARG 49 1HB ARG 49 2.783 -7.235 -10.345 372 HB3 ARG 49 2HB ARG 49 1.895 -8.292 -11.445 373 HG2 ARG 49 1HG ARG 49 3.489 -10.006 -11.294 374 HG3 ARG 49 2HG ARG 49 4.740 -8.918 -10.689 375 HD2 ARG 49 1HD ARG 49 3.868 -8.889 -8.542 376 HD3 ARG 49 2HD ARG 49 2.238 -9.284 -9.076 377 HE ARG 49 HE ARG 49 3.203 -11.577 -9.600 378 HH11 ARG 49 1HH2 ARG 49 4.384 -9.495 -7.069 379 HH12 ARG 49 2HH2 ARG 49 5.173 -10.775 -6.209 380 HH21 ARG 49 1HH1 ARG 49 4.226 -13.237 -8.484 381 HH22 ARG 49 2HH1 ARG 49 5.087 -12.907 -7.015 382 H ALA 50 H ALA 50 1.900 -7.932 -14.088 383 HA ALA 50 HA ALA 50 3.132 -10.345 -15.063 384 HB1 ALA 50 1HB ALA 50 0.750 -10.286 -15.142 385 HB2 ALA 50 2HB ALA 50 1.268 -10.112 -16.817 386 HB3 ALA 50 3HB ALA 50 0.740 -8.702 -15.906 387 H GLU 51 H GLU 51 2.484 -7.123 -16.301 388 HA GLU 51 HA GLU 51 3.514 -7.144 -18.812 389 HB2 GLU 51 1HB GLU 51 3.818 -5.024 -16.697 390 HB3 GLU 51 2HB GLU 51 4.176 -4.768 -18.400 391 HG2 GLU 51 1HG GLU 51 1.510 -5.582 -17.224 392 HG3 GLU 51 2HG GLU 51 1.905 -4.041 -17.968 393 H LEU 52 H LEU 52 5.456 -6.580 -15.887 394 HA LEU 52 HA LEU 52 7.810 -5.988 -16.882 395 HB2 LEU 52 1HB LEU 52 7.242 -7.990 -14.768 396 HB3 LEU 52 2HB LEU 52 8.891 -7.708 -15.314 397 HG LEU 52 HG LEU 52 7.883 -6.293 -13.328 398 HD11 LEU 52 1HD1 LEU 52 9.285 -4.343 -14.546 399 HD12 LEU 52 2HD1 LEU 52 9.720 -5.700 -15.576 400 HD13 LEU 52 3HD1 LEU 52 10.042 -5.772 -13.846 401 HD21 LEU 52 3HD2 LEU 52 7.110 -4.647 -15.757 402 HD22 LEU 52 1HD2 LEU 52 6.980 -4.158 -14.071 403 HD23 LEU 52 2HD2 LEU 52 5.960 -5.444 -14.695 404 H ALA 53 H ALA 53 7.603 -9.494 -16.374 405 HA ALA 53 HA ALA 53 9.547 -10.286 -18.101 406 HB1 ALA 53 1HB ALA 53 6.871 -11.665 -17.786 407 HB2 ALA 53 2HB ALA 53 8.289 -11.892 -16.759 408 HB3 ALA 53 3HB ALA 53 8.331 -12.401 -18.448 409 H ARG 54 H ARG 54 6.354 -9.158 -19.038 410 HA ARG 54 HA ARG 54 6.752 -9.904 -21.837 411 HB2 ARG 54 1HB ARG 54 4.637 -8.077 -20.691 412 HB3 ARG 54 2HB ARG 54 4.594 -8.944 -22.228 413 HG2 ARG 54 1HG ARG 54 4.306 -11.042 -21.182 414 HG3 ARG 54 2HG ARG 54 4.867 -10.454 -19.622 415 HD2 ARG 54 1HD ARG 54 2.188 -10.623 -20.563 416 HD3 ARG 54 2HD ARG 54 2.758 -10.001 -19.020 417 HE ARG 54 HE ARG 54 2.369 -7.851 -19.807 418 HH11 ARG 54 1HH2 ARG 54 2.463 -10.113 -22.424 419 HH12 ARG 54 2HH2 ARG 54 1.986 -8.959 -23.634 420 HH21 ARG 54 1HH1 ARG 54 1.814 -6.315 -21.354 421 HH22 ARG 54 2HH1 ARG 54 1.665 -6.780 -23.026 422 H PHE 55 H PHE 55 6.988 -7.223 -19.744 423 HA PHE 55 HA PHE 55 7.434 -5.150 -21.632 424 HB2 PHE 55 1HB PHE 55 6.772 -4.246 -19.670 425 HB3 PHE 55 2HB PHE 55 7.392 -5.591 -18.739 426 HD1 PHE 55 HD1 PHE 55 8.531 -2.658 -20.682 427 HD2 PHE 55 HD2 PHE 55 9.236 -5.292 -17.407 428 HE1 PHE 55 HE1 PHE 55 10.475 -1.268 -19.978 429 HE2 PHE 55 HE2 PHE 55 11.167 -3.947 -16.687 430 HZ PHE 55 HZ PHE 55 11.796 -1.904 -17.975 431 H LEU 56 H LEU 56 9.311 -7.630 -20.215 432 HA LEU 56 HA LEU 56 11.883 -6.397 -20.665 433 HB2 LEU 56 1HB LEU 56 11.461 -9.346 -20.290 434 HB3 LEU 56 2HB LEU 56 12.773 -8.330 -19.701 435 HG LEU 56 HG LEU 56 9.997 -8.600 -18.676 436 HD11 LEU 56 1HD1 LEU 56 11.638 -10.002 -17.660 437 HD12 LEU 56 2HD1 LEU 56 11.197 -8.725 -16.522 438 HD13 LEU 56 3HD1 LEU 56 12.717 -8.625 -17.421 439 HD21 LEU 56 3HD2 LEU 56 10.067 -6.288 -18.792 440 HD22 LEU 56 1HD2 LEU 56 11.802 -6.217 -18.525 441 HD23 LEU 56 2HD2 LEU 56 10.708 -6.583 -17.189 442 H GLU 57 H GLU 57 10.027 -9.037 -22.144 443 HA GLU 57 HA GLU 57 11.879 -9.163 -24.391 444 HB2 GLU 57 1HB GLU 57 9.628 -10.781 -24.914 445 HB3 GLU 57 2HB GLU 57 11.227 -11.305 -24.391 446 HG2 GLU 57 1HG GLU 57 10.452 -10.801 -21.999 447 HG3 GLU 57 2HG GLU 57 8.823 -10.668 -22.662 448 H ASN 58 H ASN 58 9.012 -7.498 -23.533 449 HA ASN 58 HA ASN 58 8.832 -6.478 -26.271 450 HB2 ASN 58 1HB ASN 58 7.170 -8.602 -25.506 451 HB3 ASN 58 2HB ASN 58 6.151 -7.165 -25.494 452 HD21 ASN 58 2HD2 ASN 58 7.497 -9.525 -27.559 453 HD22 ASN 58 1HD2 ASN 58 7.253 -8.715 -29.030 454 HA PRO 59 HA PRO 59 7.533 -3.486 -22.907 455 HB2 PRO 59 1HB PRO 59 9.564 -1.670 -23.406 456 HB3 PRO 59 2HB PRO 59 9.649 -2.917 -22.156 457 HG2 PRO 59 1HG PRO 59 10.871 -2.871 -24.858 458 HG3 PRO 59 2HG PRO 59 11.490 -3.548 -23.343 459 HD2 PRO 59 1HD PRO 59 10.397 -5.092 -25.329 460 HD3 PRO 59 2HD PRO 59 10.362 -5.548 -23.615 461 H ALA 60 H ALA 60 7.993 -0.794 -23.686 462 HA ALA 60 HA ALA 60 7.328 0.822 -25.176 463 HB1 ALA 60 1HB ALA 60 8.862 -0.643 -26.665 464 HB2 ALA 60 2HB ALA 60 7.750 0.476 -27.455 465 HB3 ALA 60 3HB ALA 60 7.357 -1.239 -27.363 466 H ASP 61 H ASP 61 5.776 -2.274 -26.069 467 HA ASP 61 HA ASP 61 3.228 -0.815 -26.391 468 HB2 ASP 61 1HB ASP 61 4.272 -2.280 -28.256 469 HB3 ASP 61 2HB ASP 61 3.739 -3.644 -27.277 470 H LEU 62 H LEU 62 1.532 -2.990 -26.222 471 HA LEU 62 HA LEU 62 1.717 -3.762 -23.385 472 HB2 LEU 62 1HB LEU 62 -0.074 -2.150 -23.681 473 HB3 LEU 62 2HB LEU 62 -0.713 -3.055 -25.049 474 HG LEU 62 HG LEU 62 -1.496 -4.804 -23.683 475 HD11 LEU 62 1HD1 LEU 62 -0.785 -4.479 -21.072 476 HD12 LEU 62 2HD1 LEU 62 0.663 -3.898 -21.877 477 HD13 LEU 62 3HD1 LEU 62 0.077 -5.526 -22.194 478 HD21 LEU 62 3HD2 LEU 62 -2.840 -3.700 -21.967 479 HD22 LEU 62 1HD2 LEU 62 -2.749 -2.666 -23.391 480 HD23 LEU 62 2HD2 LEU 62 -1.758 -2.310 -21.977 481 H ASP 63 H ASP 63 -0.235 -4.687 -26.201 482 HA ASP 63 HA ASP 63 0.968 -7.198 -26.589 483 HB2 ASP 63 1HB ASP 63 -0.591 -7.205 -24.298 484 HB3 ASP 63 2HB ASP 63 -1.661 -7.867 -25.530 Start of MODEL 8 1 H1 MET 1 H MET 1 -0.638 1.170 -2.591 2 HA MET 1 HA MET 1 0.582 1.332 -4.503 3 HB2 MET 1 1HB MET 1 3.103 1.708 -4.374 4 HB3 MET 1 2HB MET 1 2.086 3.089 -3.969 5 HG2 MET 1 1HG MET 1 2.592 2.974 -1.706 6 HG3 MET 1 2HG MET 1 2.941 1.248 -1.762 7 HE1 MET 1 3HE MET 1 4.708 2.806 -4.857 8 HE2 MET 1 1HE MET 1 5.594 4.135 -4.103 9 HE3 MET 1 2HE MET 1 3.836 4.092 -4.026 10 H LEU 2 H LEU 2 2.114 -0.228 -5.467 11 HA LEU 2 HA LEU 2 2.348 -2.660 -3.794 12 HB2 LEU 2 1HB LEU 2 0.689 -2.369 -5.892 13 HB3 LEU 2 2HB LEU 2 2.123 -2.955 -6.706 14 HG LEU 2 HG LEU 2 2.104 -4.619 -4.602 15 HD11 LEU 2 1HD1 LEU 2 -0.023 -3.543 -3.814 16 HD12 LEU 2 2HD1 LEU 2 -0.173 -5.273 -4.114 17 HD13 LEU 2 3HD1 LEU 2 -0.804 -4.118 -5.289 18 HD21 LEU 2 3HD2 LEU 2 2.270 -5.718 -6.576 19 HD22 LEU 2 1HD2 LEU 2 1.168 -4.611 -7.396 20 HD23 LEU 2 2HD2 LEU 2 0.525 -5.930 -6.416 21 H MET 3 H MET 3 4.024 -4.122 -4.305 22 HA MET 3 HA MET 3 6.356 -2.827 -5.523 23 HB2 MET 3 1HB MET 3 6.368 -3.945 -3.155 24 HB3 MET 3 2HB MET 3 6.461 -5.454 -4.063 25 HG2 MET 3 1HG MET 3 8.352 -3.123 -4.502 26 HG3 MET 3 2HG MET 3 8.718 -4.478 -3.434 27 HE1 MET 3 3HE MET 3 10.147 -3.318 -6.338 28 HE2 MET 3 1HE MET 3 10.901 -4.876 -6.688 29 HE3 MET 3 2HE MET 3 10.835 -4.276 -5.035 30 H ILE 4 H ILE 4 6.862 -3.381 -7.562 31 HA ILE 4 HA ILE 4 5.672 -5.849 -8.664 32 HB ILE 4 HB ILE 4 6.602 -3.272 -9.928 33 HG12 ILE 4 1HG1 ILE 4 4.356 -3.487 -8.776 34 HG13 ILE 4 2HG1 ILE 4 4.296 -2.998 -10.469 35 HG21 ILE 4 1HG2 ILE 4 6.612 -4.181 -12.006 36 HG22 ILE 4 2HG2 ILE 4 5.301 -5.299 -11.642 37 HG23 ILE 4 3HG2 ILE 4 6.945 -5.686 -11.154 38 HD11 ILE 4 3HD1 ILE 4 3.724 -5.740 -9.317 39 HD12 ILE 4 1HD1 ILE 4 3.936 -5.448 -11.041 40 HD13 ILE 4 2HD1 ILE 4 2.609 -4.681 -10.178 41 H THR 5 H THR 5 8.602 -3.898 -9.190 42 HA THR 5 HA THR 5 10.264 -6.272 -9.037 43 HB THR 5 HB THR 5 9.187 -6.146 -11.420 44 HG1 THR 5 HG1 THR 5 10.844 -7.296 -11.934 45 HG21 THR 5 3HG2 THR 5 11.260 -3.941 -11.636 46 HG22 THR 5 1HG2 THR 5 9.514 -3.706 -11.694 47 HG23 THR 5 2HG2 THR 5 10.328 -4.618 -12.962 48 H SER 6 H SER 6 12.407 -5.329 -10.369 49 HA SER 6 HA SER 6 12.938 -2.639 -9.410 50 HB2 SER 6 1HB SER 6 15.048 -4.588 -8.786 51 HB3 SER 6 2HB SER 6 14.534 -3.153 -7.910 52 HG SER 6 HG SER 6 13.201 -4.317 -6.764 53 H PHE 7 H PHE 7 14.277 -1.596 -10.733 54 HA PHE 7 HA PHE 7 15.212 -3.113 -13.080 55 HB2 PHE 7 1HB PHE 7 14.497 -0.216 -12.648 56 HB3 PHE 7 2HB PHE 7 15.221 -0.834 -14.117 57 HD1 PHE 7 HD2 PHE 7 13.921 -3.413 -14.507 58 HD2 PHE 7 HD1 PHE 7 12.230 0.263 -13.110 59 HE1 PHE 7 HE2 PHE 7 11.692 -4.150 -15.286 60 HE2 PHE 7 HE1 PHE 7 10.010 -0.457 -13.927 61 HZ PHE 7 HZ PHE 7 9.739 -2.660 -15.014 62 H ALA 8 H ALA 8 17.296 -3.249 -13.564 63 HA ALA 8 HA ALA 8 19.329 -2.705 -11.730 64 HB1 ALA 8 1HB ALA 8 19.613 -2.766 -14.751 65 HB2 ALA 8 2HB ALA 8 19.528 -4.209 -13.738 66 HB3 ALA 8 3HB ALA 8 20.877 -3.087 -13.564 67 H ASN 9 H ASN 9 17.861 -0.815 -14.233 68 HA ASN 9 HA ASN 9 19.497 1.526 -13.473 69 HB2 ASN 9 1HB ASN 9 18.544 0.528 -16.090 70 HB3 ASN 9 2HB ASN 9 18.409 2.256 -15.831 71 HD21 ASN 9 2HD2 ASN 9 20.437 0.092 -17.181 72 HD22 ASN 9 1HD2 ASN 9 21.931 0.842 -16.884 73 HA PRO 10 HA PRO 10 15.621 3.374 -12.360 74 HB2 PRO 10 1HB PRO 10 16.362 5.950 -12.268 75 HB3 PRO 10 2HB PRO 10 17.076 4.776 -11.138 76 HG2 PRO 10 1HG PRO 10 18.183 5.778 -13.736 77 HG3 PRO 10 2HG PRO 10 18.974 5.684 -12.152 78 HD2 PRO 10 1HD PRO 10 19.345 3.789 -14.050 79 HD3 PRO 10 2HD PRO 10 19.331 3.401 -12.307 80 H ARG 11 H ARG 11 17.459 4.295 -15.184 81 HA ARG 11 HA ARG 11 15.560 5.971 -16.456 82 HB2 ARG 11 1HB ARG 11 17.393 4.154 -18.003 83 HB3 ARG 11 2HB ARG 11 16.882 5.803 -18.371 84 HG2 ARG 11 1HG ARG 11 18.128 6.282 -16.043 85 HG3 ARG 11 2HG ARG 11 19.037 4.850 -16.547 86 HD2 ARG 11 1HD ARG 11 19.202 6.028 -18.851 87 HD3 ARG 11 2HD ARG 11 18.741 7.484 -17.969 88 HE ARG 11 HE ARG 11 20.897 6.183 -16.641 89 HH11 ARG 11 1HH2 ARG 11 20.089 8.043 -19.449 90 HH12 ARG 11 2HH2 ARG 11 21.674 8.717 -19.637 91 HH21 ARG 11 1HH1 ARG 11 22.977 7.064 -16.855 92 HH22 ARG 11 2HH1 ARG 11 23.322 8.168 -18.150 93 H VAL 12 H VAL 12 16.352 2.556 -17.022 94 HA VAL 12 HA VAL 12 14.225 1.921 -18.698 95 HB VAL 12 HB VAL 12 14.705 -0.334 -18.229 96 HG11 VAL 12 1HG1 VAL 12 17.147 -0.498 -18.039 97 HG12 VAL 12 2HG1 VAL 12 17.219 1.162 -17.461 98 HG13 VAL 12 3HG1 VAL 12 16.696 0.827 -19.109 99 HG21 VAL 12 3HG2 VAL 12 14.288 -0.629 -15.952 100 HG22 VAL 12 1HG2 VAL 12 15.395 0.661 -15.494 101 HG23 VAL 12 2HG2 VAL 12 16.031 -0.881 -16.051 102 H ALA 13 H ALA 13 14.489 2.318 -15.286 103 HA ALA 13 HA ALA 13 11.961 1.238 -14.563 104 HB1 ALA 13 1HB ALA 13 14.083 1.703 -13.115 105 HB2 ALA 13 2HB ALA 13 12.498 1.979 -12.393 106 HB3 ALA 13 3HB ALA 13 13.439 3.337 -12.994 107 H GLN 14 H GLN 14 13.113 4.597 -14.469 108 HA GLN 14 HA GLN 14 10.594 5.758 -14.197 109 HB2 GLN 14 1HB GLN 14 13.010 6.873 -15.635 110 HB3 GLN 14 2HB GLN 14 11.616 7.804 -15.093 111 HG2 GLN 14 1HG GLN 14 12.178 7.616 -12.852 112 HG3 GLN 14 2HG GLN 14 13.046 6.099 -13.092 113 HE21 GLN 14 2HE2 GLN 14 15.043 6.483 -14.756 114 HE22 GLN 14 1HE2 GLN 14 15.998 7.836 -14.382 115 H ALA 15 H ALA 15 12.423 4.820 -17.084 116 HA ALA 15 HA ALA 15 10.589 5.786 -19.004 117 HB1 ALA 15 1HB ALA 15 12.928 4.980 -19.485 118 HB2 ALA 15 2HB ALA 15 11.702 4.323 -20.570 119 HB3 ALA 15 3HB ALA 15 12.344 3.331 -19.262 120 H PHE 16 H PHE 16 10.888 2.608 -17.398 121 HA PHE 16 HA PHE 16 8.708 1.366 -18.716 122 HB2 PHE 16 1HB PHE 16 10.318 0.047 -17.419 123 HB3 PHE 16 2HB PHE 16 9.812 0.859 -15.941 124 HD1 PHE 16 HD1 PHE 16 8.250 -0.970 -18.828 125 HD2 PHE 16 HD2 PHE 16 8.219 -0.170 -14.616 126 HE1 PHE 16 HE1 PHE 16 6.508 -2.705 -18.512 127 HE2 PHE 16 HE2 PHE 16 6.481 -1.908 -14.296 128 HZ PHE 16 HZ PHE 16 5.603 -3.151 -16.253 129 H VAL 17 H VAL 17 8.864 2.624 -15.383 130 HA VAL 17 HA VAL 17 6.118 2.485 -14.905 131 HB VAL 17 HB VAL 17 6.520 3.941 -13.040 132 HG11 VAL 17 1HG1 VAL 17 8.246 2.729 -11.992 133 HG12 VAL 17 2HG1 VAL 17 9.190 2.611 -13.469 134 HG13 VAL 17 3HG1 VAL 17 7.736 1.639 -13.278 135 HG21 VAL 17 3HG2 VAL 17 8.783 5.135 -12.945 136 HG22 VAL 17 1HG2 VAL 17 7.593 5.805 -14.060 137 HG23 VAL 17 2HG2 VAL 17 8.904 4.798 -14.668 138 H ASP 18 H ASP 18 8.108 5.046 -16.377 139 HA ASP 18 HA ASP 18 6.038 6.954 -16.646 140 HB2 ASP 18 1HB ASP 18 8.396 7.559 -17.042 141 HB3 ASP 18 2HB ASP 18 8.450 6.479 -18.430 142 H TYR 19 H TYR 19 7.143 4.224 -18.526 143 HA TYR 19 HA TYR 19 5.366 4.542 -20.730 144 HB2 TYR 19 1HB TYR 19 6.930 2.996 -21.367 145 HB3 TYR 19 2HB TYR 19 7.209 2.441 -19.718 146 HD1 TYR 19 HD1 TYR 19 4.616 2.467 -22.366 147 HD2 TYR 19 HD2 TYR 19 6.321 0.340 -19.052 148 HE1 TYR 19 HE1 TYR 19 3.061 0.605 -22.775 149 HE2 TYR 19 HE2 TYR 19 4.756 -1.540 -19.465 150 HH TYR 19 HH TYR 19 2.989 -2.263 -20.664 151 H MET 20 H MET 20 5.353 2.346 -17.920 152 HA MET 20 HA MET 20 2.809 1.275 -18.166 153 HB2 MET 20 1HB MET 20 4.231 2.104 -15.626 154 HB3 MET 20 2HB MET 20 2.855 1.010 -15.708 155 HG2 MET 20 1HG MET 20 4.664 -0.007 -17.581 156 HG3 MET 20 2HG MET 20 5.666 0.463 -16.211 157 HE1 MET 20 3HE MET 20 2.601 -1.486 -17.441 158 HE2 MET 20 1HE MET 20 1.909 -0.539 -16.124 159 HE3 MET 20 2HE MET 20 2.001 -2.288 -15.997 160 H ALA 21 H ALA 21 3.880 4.218 -16.565 161 HA ALA 21 HA ALA 21 1.407 5.211 -15.715 162 HB1 ALA 21 1HB ALA 21 2.565 7.415 -15.733 163 HB2 ALA 21 2HB ALA 21 3.914 6.665 -16.583 164 HB3 ALA 21 3HB ALA 21 3.511 6.154 -14.946 165 H THR 22 H THR 22 3.040 5.299 -18.826 166 HA THR 22 HA THR 22 1.332 7.185 -20.082 167 HB THR 22 HB THR 22 3.608 5.605 -20.714 168 HG1 THR 22 HG1 THR 22 3.830 7.124 -22.252 169 HG21 THR 22 3HG2 THR 22 2.967 4.846 -23.012 170 HG22 THR 22 1HG2 THR 22 1.280 5.121 -22.577 171 HG23 THR 22 2HG2 THR 22 2.233 3.917 -21.706 172 H GLN 23 H GLN 23 1.348 3.721 -19.522 173 HA GLN 23 HA GLN 23 -1.053 3.145 -21.001 174 HB2 GLN 23 1HB GLN 23 0.260 1.582 -18.772 175 HB3 GLN 23 2HB GLN 23 -0.980 0.984 -19.866 176 HG2 GLN 23 1HG GLN 23 1.356 2.143 -21.238 177 HG3 GLN 23 2HG GLN 23 1.728 0.720 -20.272 178 HE21 GLN 23 2HE2 GLN 23 1.301 1.285 -23.344 179 HE22 GLN 23 1HE2 GLN 23 0.326 -0.017 -23.820 180 H GLY 24 H GLY 24 -0.445 4.954 -18.378 181 HA2 GLY 24 1HA GLY 24 -1.926 5.985 -16.918 182 HA3 GLY 24 2HA GLY 24 -3.171 4.832 -17.403 183 H VAL 25 H VAL 25 -0.348 3.270 -16.921 184 HA VAL 25 HA VAL 25 -1.148 2.185 -14.309 185 HB VAL 25 HB VAL 25 1.019 1.267 -16.194 186 HG11 VAL 25 1HG1 VAL 25 0.152 -0.919 -14.999 187 HG12 VAL 25 2HG1 VAL 25 -0.351 0.246 -13.773 188 HG13 VAL 25 3HG1 VAL 25 1.338 0.142 -14.241 189 HG21 VAL 25 3HG2 VAL 25 -1.707 0.010 -16.140 190 HG22 VAL 25 1HG2 VAL 25 -0.492 -0.020 -17.415 191 HG23 VAL 25 2HG2 VAL 25 -1.445 1.435 -17.140 192 H ILE 26 H ILE 26 -0.451 3.511 -12.811 193 HA ILE 26 HA ILE 26 2.034 4.878 -13.058 194 HB ILE 26 HB ILE 26 0.459 4.717 -10.528 195 HG12 ILE 26 1HG1 ILE 26 -0.690 6.830 -11.724 196 HG13 ILE 26 2HG1 ILE 26 -0.354 5.884 -13.173 197 HG21 ILE 26 1HG2 ILE 26 2.511 5.951 -10.470 198 HG22 ILE 26 2HG2 ILE 26 1.199 7.127 -10.540 199 HG23 ILE 26 3HG2 ILE 26 2.134 6.762 -11.992 200 HD11 ILE 26 3HD1 ILE 26 -1.887 4.271 -12.639 201 HD12 ILE 26 1HD1 ILE 26 -2.595 5.566 -11.680 202 HD13 ILE 26 2HD1 ILE 26 -1.545 4.382 -10.911 203 H LEU 27 H LEU 27 3.902 4.015 -12.706 204 HA LEU 27 HA LEU 27 4.236 2.144 -10.449 205 HB2 LEU 27 1HB LEU 27 5.591 2.272 -13.092 206 HB3 LEU 27 2HB LEU 27 6.589 1.904 -11.691 207 HG LEU 27 HG LEU 27 4.323 0.341 -11.331 208 HD11 LEU 27 1HD1 LEU 27 5.274 -0.125 -14.118 209 HD12 LEU 27 2HD1 LEU 27 4.010 1.067 -13.824 210 HD13 LEU 27 3HD1 LEU 27 3.760 -0.608 -13.370 211 HD21 LEU 27 3HD2 LEU 27 6.894 -0.518 -12.674 212 HD22 LEU 27 1HD2 LEU 27 5.857 -1.478 -11.625 213 HD23 LEU 27 2HD2 LEU 27 6.797 -0.148 -10.952 214 H THR 28 H THR 28 7.011 2.573 -10.236 215 HA THR 28 HA THR 28 7.879 5.198 -10.315 216 HB THR 28 HB THR 28 6.483 4.460 -7.735 217 HG1 THR 28 HG1 THR 28 5.480 5.722 -9.526 218 HG21 THR 28 3HG2 THR 28 8.699 5.220 -7.092 219 HG22 THR 28 1HG2 THR 28 7.541 6.508 -6.760 220 HG23 THR 28 2HG2 THR 28 8.579 6.598 -8.185 221 H ILE 29 H ILE 29 9.928 5.422 -9.203 222 HA ILE 29 HA ILE 29 11.164 2.811 -8.708 223 HB ILE 29 HB ILE 29 12.904 5.185 -8.690 224 HG12 ILE 29 1HG1 ILE 29 11.194 5.919 -10.347 225 HG13 ILE 29 2HG1 ILE 29 12.744 5.583 -11.106 226 HG21 ILE 29 1HG2 ILE 29 13.916 3.046 -8.809 227 HG22 ILE 29 2HG2 ILE 29 14.033 3.691 -10.447 228 HG23 ILE 29 3HG2 ILE 29 12.797 2.496 -10.053 229 HD11 ILE 29 3HD1 ILE 29 10.167 4.303 -11.556 230 HD12 ILE 29 1HD1 ILE 29 11.409 3.120 -11.147 231 HD13 ILE 29 2HD1 ILE 29 11.642 4.207 -12.513 232 H GLN 30 H GLN 30 11.742 2.188 -6.716 233 HA GLN 30 HA GLN 30 11.248 4.068 -4.516 234 HB2 GLN 30 1HB GLN 30 11.147 1.149 -4.864 235 HB3 GLN 30 2HB GLN 30 11.927 1.649 -3.367 236 HG2 GLN 30 1HG GLN 30 9.227 2.624 -4.301 237 HG3 GLN 30 2HG GLN 30 9.481 1.356 -3.109 238 HE21 GLN 30 2HE2 GLN 30 8.175 3.979 -2.637 239 HE22 GLN 30 1HE2 GLN 30 9.103 4.760 -1.448 240 H GLN 31 H GLN 31 12.807 4.642 -3.012 241 HA GLN 31 HA GLN 31 15.511 4.637 -3.942 242 HB2 GLN 31 1HB GLN 31 14.466 6.436 -2.502 243 HB3 GLN 31 2HB GLN 31 14.551 5.305 -1.150 244 HG2 GLN 31 1HG GLN 31 16.596 6.284 -0.845 245 HG3 GLN 31 2HG GLN 31 17.089 5.102 -2.053 246 HE21 GLN 31 2HE2 GLN 31 15.368 8.281 -2.268 247 HE22 GLN 31 1HE2 GLN 31 16.398 8.909 -3.459 248 H HIS 32 H HIS 32 16.453 2.685 -4.059 249 HA HIS 32 HA HIS 32 16.949 1.270 -1.554 250 HB2 HIS 32 1HB HIS 32 15.398 0.149 -3.865 251 HB3 HIS 32 2HB HIS 32 16.429 -0.919 -2.925 252 HD1 HIS 32 HD1 HIS 32 13.222 -0.884 -3.003 253 HD2 HIS 32 HD2 HIS 32 15.628 0.658 0.039 254 HE1 HIS 32 HE1 HIS 32 11.771 -0.756 -0.921 255 H ASN 33 H ASN 33 18.218 -0.920 -2.435 256 HA ASN 33 HA ASN 33 20.714 0.054 -3.333 257 HB2 ASN 33 1HB ASN 33 20.112 -2.124 -2.026 258 HB3 ASN 33 2HB ASN 33 19.903 -2.823 -3.630 259 HD21 ASN 33 2HD2 ASN 33 21.998 -1.402 -5.013 260 HD22 ASN 33 1HD2 ASN 33 23.485 -1.913 -4.361 261 H GLN 34 H GLN 34 17.863 -0.972 -4.961 262 HA GLN 34 HA GLN 34 19.138 -0.430 -7.546 263 HB2 GLN 34 1HB GLN 34 17.502 -2.439 -8.307 264 HB3 GLN 34 2HB GLN 34 19.204 -2.679 -7.928 265 HG2 GLN 34 1HG GLN 34 17.270 -2.785 -5.652 266 HG3 GLN 34 2HG GLN 34 17.268 -4.137 -6.779 267 HE21 GLN 34 2HE2 GLN 34 20.356 -2.611 -6.558 268 HE22 GLN 34 1HE2 GLN 34 21.068 -3.739 -5.512 269 H SER 35 H SER 35 17.462 -0.186 -9.276 270 HA SER 35 HA SER 35 15.486 1.673 -8.453 271 HB2 SER 35 1HB SER 35 15.299 0.323 -11.083 272 HB3 SER 35 2HB SER 35 15.136 2.023 -10.684 273 HG SER 35 HG SER 35 17.389 0.508 -11.253 274 H ASP 36 H ASP 36 14.533 0.141 -6.775 275 HA ASP 36 HA ASP 36 12.865 -2.002 -7.594 276 HB2 ASP 36 1HB ASP 36 12.875 -0.211 -5.190 277 HB3 ASP 36 2HB ASP 36 11.528 -1.309 -5.474 278 H VAL 37 H VAL 37 11.158 -1.946 -8.788 279 HA VAL 37 HA VAL 37 9.894 0.640 -9.285 280 HB VAL 37 HB VAL 37 9.027 -1.597 -10.945 281 HG11 VAL 37 1HG1 VAL 37 9.185 1.146 -11.108 282 HG12 VAL 37 2HG1 VAL 37 8.942 0.079 -12.486 283 HG13 VAL 37 3HG1 VAL 37 10.562 0.651 -12.089 284 HG21 VAL 37 3HG2 VAL 37 11.417 -2.240 -10.350 285 HG22 VAL 37 1HG2 VAL 37 11.935 -0.764 -11.148 286 HG23 VAL 37 2HG2 VAL 37 11.107 -2.030 -12.054 287 H TRP 38 H TRP 38 8.185 1.073 -8.178 288 HA TRP 38 HA TRP 38 6.520 -1.121 -7.161 289 HB2 TRP 38 1HB TRP 38 6.902 1.752 -6.346 290 HB3 TRP 38 2HB TRP 38 5.508 0.818 -5.800 291 HD1 TRP 38 HD1 TRP 38 9.294 -0.098 -6.071 292 HE1 TRP 38 HE1 TRP 38 9.960 -1.155 -3.805 293 HE3 TRP 38 HE3 TRP 38 4.879 0.297 -3.664 294 HZ2 TRP 38 HZ2 TRP 38 8.718 -1.748 -1.265 295 HZ3 TRP 38 HZ3 TRP 38 4.603 -0.499 -1.379 296 HH2 TRP 38 HH2 TRP 38 6.505 -1.530 -0.141 297 H LEU 39 H LEU 39 4.268 -0.977 -7.285 298 HA LEU 39 HA LEU 39 3.270 0.400 -9.710 299 HB2 LEU 39 1HB LEU 39 3.215 -2.199 -9.198 300 HB3 LEU 39 2HB LEU 39 1.812 -1.774 -8.264 301 HG LEU 39 HG LEU 39 1.948 -2.364 -10.983 302 HD11 LEU 39 1HD1 LEU 39 0.126 -2.734 -9.351 303 HD12 LEU 39 2HD1 LEU 39 -0.435 -2.010 -10.858 304 HD13 LEU 39 3HD1 LEU 39 -0.242 -1.018 -9.422 305 HD21 LEU 39 3HD2 LEU 39 2.550 -0.199 -11.702 306 HD22 LEU 39 1HD2 LEU 39 1.521 0.576 -10.501 307 HD23 LEU 39 2HD2 LEU 39 0.800 -0.262 -11.874 308 H ALA 40 H ALA 40 2.073 2.162 -9.256 309 HA ALA 40 HA ALA 40 1.016 2.539 -6.552 310 HB1 ALA 40 1HB ALA 40 0.274 4.650 -8.343 311 HB2 ALA 40 2HB ALA 40 1.969 4.255 -8.615 312 HB3 ALA 40 3HB ALA 40 1.418 4.705 -7.001 313 H ASP 41 H ASP 41 0.037 1.921 -9.805 314 HA ASP 41 HA ASP 41 -2.815 2.122 -9.219 315 HB2 ASP 41 1HB ASP 41 -1.546 2.595 -11.513 316 HB3 ASP 41 2HB ASP 41 -1.719 0.864 -11.713 317 H GLU 42 H GLU 42 -1.991 0.386 -7.428 318 HA GLU 42 HA GLU 42 -1.295 -2.152 -7.897 319 HB2 GLU 42 1HB GLU 42 -3.413 -1.152 -6.017 320 HB3 GLU 42 2HB GLU 42 -2.807 -2.814 -5.994 321 HG2 GLU 42 1HG GLU 42 -0.921 -2.177 -4.948 322 HG3 GLU 42 2HG GLU 42 -0.586 -0.991 -6.200 323 H SER 43 H SER 43 -4.311 -0.789 -8.917 324 HA SER 43 HA SER 43 -5.776 -3.147 -9.431 325 HB2 SER 43 1HB SER 43 -5.957 -1.119 -11.513 326 HB3 SER 43 2HB SER 43 -7.192 -1.664 -10.380 327 HG SER 43 HG SER 43 -5.403 0.469 -10.243 328 H GLN 44 H GLN 44 -3.150 -1.533 -10.908 329 HA GLN 44 HA GLN 44 -3.060 -3.096 -13.341 330 HB2 GLN 44 1HB GLN 44 -1.411 -0.877 -12.177 331 HB3 GLN 44 2HB GLN 44 -1.020 -1.664 -13.677 332 HG2 GLN 44 1HG GLN 44 -3.514 -0.108 -13.030 333 HG3 GLN 44 2HG GLN 44 -2.275 0.323 -14.201 334 HE21 GLN 44 2HE2 GLN 44 -5.284 -0.318 -14.493 335 HE22 GLN 44 1HE2 GLN 44 -5.327 -1.486 -15.724 336 H ALA 45 H ALA 45 -1.935 -3.391 -10.175 337 HA ALA 45 HA ALA 45 0.608 -4.283 -10.140 338 HB1 ALA 45 1HB ALA 45 -1.806 -5.677 -8.972 339 HB2 ALA 45 2HB ALA 45 -0.814 -4.453 -8.180 340 HB3 ALA 45 3HB ALA 45 -0.142 -6.047 -8.530 341 H GLU 46 H GLU 46 -2.039 -6.471 -10.672 342 HA GLU 46 HA GLU 46 -0.714 -8.703 -11.589 343 HB2 GLU 46 1HB GLU 46 -2.851 -9.261 -12.644 344 HB3 GLU 46 2HB GLU 46 -3.124 -8.516 -11.067 345 HG2 GLU 46 1HG GLU 46 -3.469 -6.319 -12.165 346 HG3 GLU 46 2HG GLU 46 -3.231 -7.074 -13.739 347 H ARG 47 H ARG 47 -1.785 -5.859 -13.298 348 HA ARG 47 HA ARG 47 -1.130 -6.638 -15.936 349 HB2 ARG 47 1HB ARG 47 -2.596 -4.665 -15.084 350 HB3 ARG 47 2HB ARG 47 -1.068 -3.812 -14.916 351 HG2 ARG 47 1HG ARG 47 -1.166 -5.107 -17.486 352 HG3 ARG 47 2HG ARG 47 -2.600 -4.099 -17.258 353 HD2 ARG 47 1HD ARG 47 -1.047 -2.297 -16.389 354 HD3 ARG 47 2HD ARG 47 0.284 -3.286 -16.949 355 HE ARG 47 HE ARG 47 -0.153 -2.565 -19.100 356 HH11 ARG 47 1HH2 ARG 47 -2.909 -2.120 -17.035 357 HH12 ARG 47 2HH2 ARG 47 -3.812 -1.201 -18.193 358 HH21 ARG 47 1HH1 ARG 47 -1.327 -1.308 -20.621 359 HH22 ARG 47 2HH1 ARG 47 -2.918 -0.745 -20.225 360 H VAL 48 H VAL 48 0.340 -4.296 -13.872 361 HA VAL 48 HA VAL 48 2.736 -3.881 -15.171 362 HB VAL 48 HB VAL 48 2.058 -3.849 -12.219 363 HG11 VAL 48 1HG1 VAL 48 4.444 -3.690 -12.563 364 HG12 VAL 48 2HG1 VAL 48 3.828 -2.080 -12.216 365 HG13 VAL 48 3HG1 VAL 48 4.224 -2.540 -13.870 366 HG21 VAL 48 3HG2 VAL 48 2.063 -1.380 -13.749 367 HG22 VAL 48 1HG2 VAL 48 0.815 -2.042 -12.697 368 HG23 VAL 48 2HG2 VAL 48 0.907 -2.545 -14.378 369 H ARG 49 H ARG 49 2.135 -5.982 -12.396 370 HA ARG 49 HA ARG 49 4.635 -7.162 -12.257 371 HB2 ARG 49 1HB ARG 49 2.956 -7.532 -10.514 372 HB3 ARG 49 2HB ARG 49 1.934 -8.414 -11.650 373 HG2 ARG 49 1HG ARG 49 3.173 -10.311 -11.485 374 HG3 ARG 49 2HG ARG 49 4.697 -9.424 -11.471 375 HD2 ARG 49 1HD ARG 49 4.184 -8.730 -9.108 376 HD3 ARG 49 2HD ARG 49 2.800 -9.820 -9.150 377 HE ARG 49 HE ARG 49 4.964 -11.362 -9.917 378 HH11 ARG 49 1HH2 ARG 49 4.069 -9.390 -7.199 379 HH12 ARG 49 2HH2 ARG 49 4.983 -10.313 -6.061 380 HH21 ARG 49 1HH1 ARG 49 6.127 -12.591 -8.404 381 HH22 ARG 49 2HH1 ARG 49 6.126 -12.133 -6.735 382 H ALA 50 H ALA 50 1.887 -7.874 -14.320 383 HA ALA 50 HA ALA 50 3.057 -10.225 -15.520 384 HB1 ALA 50 1HB ALA 50 0.658 -10.090 -15.514 385 HB2 ALA 50 2HB ALA 50 1.168 -9.879 -17.189 386 HB3 ALA 50 3HB ALA 50 0.689 -8.482 -16.232 387 H GLU 51 H GLU 51 2.466 -6.870 -16.472 388 HA GLU 51 HA GLU 51 3.402 -6.636 -18.996 389 HB2 GLU 51 1HB GLU 51 3.974 -4.893 -16.605 390 HB3 GLU 51 2HB GLU 51 4.455 -4.444 -18.234 391 HG2 GLU 51 1HG GLU 51 1.700 -5.339 -18.207 392 HG3 GLU 51 2HG GLU 51 1.944 -4.038 -17.045 393 H LEU 52 H LEU 52 5.572 -6.145 -16.274 394 HA LEU 52 HA LEU 52 7.931 -6.053 -17.412 395 HB2 LEU 52 1HB LEU 52 7.311 -7.757 -15.042 396 HB3 LEU 52 2HB LEU 52 8.918 -7.162 -15.480 397 HG LEU 52 HG LEU 52 6.479 -5.511 -14.770 398 HD11 LEU 52 1HD1 LEU 52 8.211 -4.534 -13.191 399 HD12 LEU 52 2HD1 LEU 52 9.203 -5.934 -13.605 400 HD13 LEU 52 3HD1 LEU 52 7.638 -6.160 -12.835 401 HD21 LEU 52 3HD2 LEU 52 8.013 -3.556 -15.200 402 HD22 LEU 52 1HD2 LEU 52 7.529 -4.410 -16.664 403 HD23 LEU 52 2HD2 LEU 52 9.129 -4.668 -15.970 404 H ALA 53 H ALA 53 6.995 -9.354 -16.409 405 HA ALA 53 HA ALA 53 8.963 -10.660 -17.828 406 HB1 ALA 53 1HB ALA 53 6.732 -12.258 -18.273 407 HB2 ALA 53 2HB ALA 53 6.367 -11.401 -16.778 408 HB3 ALA 53 3HB ALA 53 7.843 -12.358 -16.909 409 H ARG 54 H ARG 54 6.296 -8.883 -19.017 410 HA ARG 54 HA ARG 54 6.647 -9.929 -21.763 411 HB2 ARG 54 1HB ARG 54 4.707 -7.763 -20.938 412 HB3 ARG 54 2HB ARG 54 4.640 -8.816 -22.347 413 HG2 ARG 54 1HG ARG 54 3.872 -10.639 -21.127 414 HG3 ARG 54 2HG ARG 54 4.564 -10.050 -19.616 415 HD2 ARG 54 1HD ARG 54 2.414 -9.422 -19.158 416 HD3 ARG 54 2HD ARG 54 2.812 -8.041 -20.172 417 HE ARG 54 HE ARG 54 1.457 -8.914 -21.859 418 HH11 ARG 54 1HH2 ARG 54 2.074 -11.302 -19.413 419 HH12 ARG 54 2HH2 ARG 54 0.781 -12.343 -19.907 420 HH21 ARG 54 1HH1 ARG 54 -0.211 -10.261 -22.517 421 HH22 ARG 54 2HH1 ARG 54 -0.511 -11.760 -21.685 422 H PHE 55 H PHE 55 6.444 -6.856 -20.025 423 HA PHE 55 HA PHE 55 7.462 -5.116 -21.879 424 HB2 PHE 55 1HB PHE 55 6.742 -4.033 -20.036 425 HB3 PHE 55 2HB PHE 55 7.277 -5.305 -18.959 426 HD1 PHE 55 HD1 PHE 55 8.514 -2.512 -21.053 427 HD2 PHE 55 HD2 PHE 55 9.225 -5.066 -17.721 428 HE1 PHE 55 HE1 PHE 55 10.459 -1.117 -20.381 429 HE2 PHE 55 HE2 PHE 55 11.144 -3.710 -17.038 430 HZ PHE 55 HZ PHE 55 11.790 -1.715 -18.379 431 H LEU 56 H LEU 56 9.067 -7.530 -20.025 432 HA LEU 56 HA LEU 56 11.739 -6.572 -20.412 433 HB2 LEU 56 1HB LEU 56 10.492 -9.109 -19.418 434 HB3 LEU 56 2HB LEU 56 12.202 -9.055 -19.794 435 HG LEU 56 HG LEU 56 12.703 -7.798 -17.980 436 HD11 LEU 56 1HD1 LEU 56 11.719 -5.757 -18.709 437 HD12 LEU 56 2HD1 LEU 56 11.034 -6.061 -17.116 438 HD13 LEU 56 3HD1 LEU 56 10.093 -6.416 -18.558 439 HD21 LEU 56 3HD2 LEU 56 10.050 -8.158 -16.768 440 HD22 LEU 56 1HD2 LEU 56 11.614 -8.757 -16.234 441 HD23 LEU 56 2HD2 LEU 56 10.714 -9.628 -17.473 442 H GLU 57 H GLU 57 10.049 -9.434 -21.681 443 HA GLU 57 HA GLU 57 11.991 -9.549 -23.880 444 HB2 GLU 57 1HB GLU 57 10.147 -11.683 -24.079 445 HB3 GLU 57 2HB GLU 57 11.829 -11.754 -23.572 446 HG2 GLU 57 1HG GLU 57 10.800 -10.971 -21.225 447 HG3 GLU 57 2HG GLU 57 9.337 -11.691 -21.897 448 H ASN 58 H ASN 58 8.982 -8.218 -23.325 449 HA ASN 58 HA ASN 58 8.464 -8.075 -26.219 450 HB2 ASN 58 1HB ASN 58 7.206 -9.997 -24.659 451 HB3 ASN 58 2HB ASN 58 6.019 -8.710 -24.795 452 HD21 ASN 58 2HD2 ASN 58 7.966 -11.004 -26.706 453 HD22 ASN 58 1HD2 ASN 58 7.046 -10.847 -28.122 454 HA PRO 59 HA PRO 59 6.985 -4.399 -23.613 455 HB2 PRO 59 1HB PRO 59 8.878 -2.588 -24.537 456 HB3 PRO 59 2HB PRO 59 8.989 -3.449 -22.991 457 HG2 PRO 59 1HG PRO 59 10.363 -3.976 -25.556 458 HG3 PRO 59 2HG PRO 59 10.931 -4.220 -23.898 459 HD2 PRO 59 1HD PRO 59 10.068 -6.265 -25.518 460 HD3 PRO 59 2HD PRO 59 9.990 -6.319 -23.743 461 H ALA 60 H ALA 60 7.159 -1.963 -25.027 462 HA ALA 60 HA ALA 60 6.376 -0.861 -26.902 463 HB1 ALA 60 1HB ALA 60 6.435 -3.346 -28.551 464 HB2 ALA 60 2HB ALA 60 7.974 -2.746 -27.942 465 HB3 ALA 60 3HB ALA 60 6.967 -1.717 -28.959 466 H ASP 61 H ASP 61 5.151 -4.223 -26.880 467 HA ASP 61 HA ASP 61 2.442 -3.203 -27.408 468 HB2 ASP 61 1HB ASP 61 3.593 -5.259 -28.604 469 HB3 ASP 61 2HB ASP 61 3.059 -6.124 -27.164 470 H LEU 62 H LEU 62 0.770 -4.788 -26.222 471 HA LEU 62 HA LEU 62 1.434 -5.523 -23.539 472 HB2 LEU 62 1HB LEU 62 1.296 -2.938 -23.550 473 HB3 LEU 62 2HB LEU 62 -0.435 -3.173 -23.760 474 HG LEU 62 HG LEU 62 0.774 -3.016 -21.344 475 HD11 LEU 62 1HD1 LEU 62 -1.624 -4.714 -22.044 476 HD12 LEU 62 2HD1 LEU 62 -1.635 -2.982 -21.731 477 HD13 LEU 62 3HD1 LEU 62 -1.257 -4.112 -20.430 478 HD21 LEU 62 3HD2 LEU 62 0.980 -5.208 -20.332 479 HD22 LEU 62 1HD2 LEU 62 2.031 -5.155 -21.746 480 HD23 LEU 62 2HD2 LEU 62 0.478 -5.996 -21.826 481 H ASP 63 H ASP 63 0.306 -7.389 -23.620 482 HA ASP 63 HA ASP 63 -2.434 -7.327 -24.709 483 HB2 ASP 63 1HB ASP 63 -1.977 -9.949 -24.452 484 HB3 ASP 63 2HB ASP 63 -1.479 -9.044 -25.876 Start of MODEL 9 1 H1 MET 1 H MET 1 -0.038 2.654 -2.609 2 HA MET 1 HA MET 1 1.768 1.900 -3.814 3 HB2 MET 1 1HB MET 1 2.131 2.080 -0.864 4 HB3 MET 1 2HB MET 1 3.473 1.379 -1.765 5 HG2 MET 1 1HG MET 1 2.416 3.754 -3.089 6 HG3 MET 1 2HG MET 1 2.968 4.105 -1.451 7 HE1 MET 1 3HE MET 1 4.119 2.016 -4.729 8 HE2 MET 1 1HE MET 1 5.351 3.214 -5.158 9 HE3 MET 1 2HE MET 1 3.673 3.706 -4.941 10 H LEU 2 H LEU 2 2.651 0.165 -4.797 11 HA LEU 2 HA LEU 2 2.532 -2.465 -3.458 12 HB2 LEU 2 1HB LEU 2 0.633 -1.931 -5.088 13 HB3 LEU 2 2HB LEU 2 1.844 -2.104 -6.344 14 HG LEU 2 HG LEU 2 2.200 -4.265 -4.561 15 HD11 LEU 2 1HD1 LEU 2 -0.633 -4.180 -5.561 16 HD12 LEU 2 2HD1 LEU 2 -0.225 -3.509 -3.980 17 HD13 LEU 2 3HD1 LEU 2 0.071 -5.213 -4.318 18 HD21 LEU 2 3HD2 LEU 2 1.488 -5.502 -6.635 19 HD22 LEU 2 1HD2 LEU 2 2.726 -4.280 -6.916 20 HD23 LEU 2 2HD2 LEU 2 1.049 -3.947 -7.340 21 H MET 3 H MET 3 4.281 -3.754 -3.847 22 HA MET 3 HA MET 3 6.507 -2.617 -5.342 23 HB2 MET 3 1HB MET 3 6.582 -3.934 -3.063 24 HB3 MET 3 2HB MET 3 6.532 -5.358 -4.103 25 HG2 MET 3 1HG MET 3 8.518 -3.112 -4.524 26 HG3 MET 3 2HG MET 3 8.865 -4.501 -3.498 27 HE1 MET 3 3HE MET 3 10.334 -3.428 -6.371 28 HE2 MET 3 1HE MET 3 10.945 -5.047 -6.739 29 HE3 MET 3 2HE MET 3 10.929 -4.462 -5.077 30 H ILE 4 H ILE 4 7.106 -3.308 -7.392 31 HA ILE 4 HA ILE 4 5.522 -5.548 -8.518 32 HB ILE 4 HB ILE 4 6.554 -3.013 -9.788 33 HG12 ILE 4 1HG1 ILE 4 4.339 -3.006 -8.583 34 HG13 ILE 4 2HG1 ILE 4 4.246 -2.603 -10.295 35 HG21 ILE 4 1HG2 ILE 4 6.336 -3.871 -11.904 36 HG22 ILE 4 2HG2 ILE 4 5.049 -4.982 -11.445 37 HG23 ILE 4 3HG2 ILE 4 6.725 -5.387 -11.100 38 HD11 ILE 4 3HD1 ILE 4 3.386 -5.135 -8.912 39 HD12 ILE 4 1HD1 ILE 4 3.804 -5.159 -10.624 40 HD13 ILE 4 2HD1 ILE 4 2.490 -4.135 -10.055 41 H THR 5 H THR 5 8.562 -3.773 -9.131 42 HA THR 5 HA THR 5 10.045 -6.266 -9.299 43 HB THR 5 HB THR 5 8.810 -5.943 -11.534 44 HG1 THR 5 HG1 THR 5 10.411 -7.069 -12.224 45 HG21 THR 5 3HG2 THR 5 9.719 -3.348 -11.252 46 HG22 THR 5 1HG2 THR 5 9.061 -4.051 -12.720 47 HG23 THR 5 2HG2 THR 5 10.805 -4.026 -12.461 48 H SER 6 H SER 6 12.149 -5.342 -10.780 49 HA SER 6 HA SER 6 12.984 -2.806 -9.621 50 HB2 SER 6 1HB SER 6 15.227 -4.241 -9.184 51 HB3 SER 6 2HB SER 6 14.029 -3.847 -7.959 52 HG SER 6 HG SER 6 13.438 -6.064 -9.494 53 H PHE 7 H PHE 7 14.284 -1.715 -10.916 54 HA PHE 7 HA PHE 7 15.020 -3.050 -13.440 55 HB2 PHE 7 1HB PHE 7 14.369 -0.182 -12.767 56 HB3 PHE 7 2HB PHE 7 15.001 -0.696 -14.322 57 HD1 PHE 7 HD2 PHE 7 13.707 -3.199 -14.853 58 HD2 PHE 7 HD1 PHE 7 12.050 0.280 -12.985 59 HE1 PHE 7 HE2 PHE 7 11.450 -3.916 -15.540 60 HE2 PHE 7 HE1 PHE 7 9.796 -0.432 -13.705 61 HZ PHE 7 HZ PHE 7 9.493 -2.514 -14.982 62 H ALA 8 H ALA 8 17.079 -3.078 -14.111 63 HA ALA 8 HA ALA 8 19.179 -2.712 -12.287 64 HB1 ALA 8 1HB ALA 8 20.606 -3.345 -14.013 65 HB2 ALA 8 2HB ALA 8 19.654 -2.512 -15.242 66 HB3 ALA 8 3HB ALA 8 19.073 -4.029 -14.557 67 H ASN 9 H ASN 9 17.375 -0.418 -13.999 68 HA ASN 9 HA ASN 9 19.253 1.642 -13.198 69 HB2 ASN 9 1HB ASN 9 19.738 1.039 -15.596 70 HB3 ASN 9 2HB ASN 9 18.155 1.686 -15.967 71 HD21 ASN 9 2HD2 ASN 9 18.260 3.765 -16.704 72 HD22 ASN 9 1HD2 ASN 9 19.380 4.929 -16.179 73 HA PRO 10 HA PRO 10 15.537 3.712 -11.911 74 HB2 PRO 10 1HB PRO 10 16.593 6.261 -11.990 75 HB3 PRO 10 2HB PRO 10 16.904 5.115 -10.664 76 HG2 PRO 10 1HG PRO 10 18.544 5.606 -13.135 77 HG3 PRO 10 2HG PRO 10 19.072 5.591 -11.443 78 HD2 PRO 10 1HD PRO 10 19.493 3.470 -12.883 79 HD3 PRO 10 2HD PRO 10 18.769 3.240 -11.273 80 H ARG 11 H ARG 11 17.486 5.092 -14.591 81 HA ARG 11 HA ARG 11 15.360 6.510 -15.827 82 HB2 ARG 11 1HB ARG 11 17.604 5.235 -17.382 83 HB3 ARG 11 2HB ARG 11 16.764 6.744 -17.708 84 HG2 ARG 11 1HG ARG 11 17.844 7.844 -15.867 85 HG3 ARG 11 2HG ARG 11 18.494 6.322 -15.256 86 HD2 ARG 11 1HD ARG 11 19.351 6.429 -17.914 87 HD3 ARG 11 2HD ARG 11 19.553 8.073 -17.321 88 HE ARG 11 HE ARG 11 21.007 5.705 -16.423 89 HH11 ARG 11 1HH2 ARG 11 20.061 8.987 -15.846 90 HH12 ARG 11 2HH2 ARG 11 21.375 9.334 -14.774 91 HH21 ARG 11 1HH1 ARG 11 22.742 6.140 -15.011 92 HH22 ARG 11 2HH1 ARG 11 22.894 7.711 -14.298 93 H VAL 12 H VAL 12 16.753 3.308 -16.320 94 HA VAL 12 HA VAL 12 15.066 2.200 -18.236 95 HB VAL 12 HB VAL 12 16.460 1.111 -15.795 96 HG11 VAL 12 1HG1 VAL 12 14.849 -0.569 -17.695 97 HG12 VAL 12 2HG1 VAL 12 14.364 -0.165 -16.050 98 HG13 VAL 12 3HG1 VAL 12 15.808 -1.137 -16.327 99 HG21 VAL 12 3HG2 VAL 12 17.861 -0.013 -17.381 100 HG22 VAL 12 1HG2 VAL 12 17.742 1.679 -17.856 101 HG23 VAL 12 2HG2 VAL 12 16.804 0.458 -18.711 102 H ALA 13 H ALA 13 14.808 2.465 -14.777 103 HA ALA 13 HA ALA 13 12.316 1.264 -14.418 104 HB1 ALA 13 1HB ALA 13 14.194 1.982 -12.731 105 HB2 ALA 13 2HB ALA 13 12.510 1.987 -12.208 106 HB3 ALA 13 3HB ALA 13 13.293 3.495 -12.670 107 H GLN 14 H GLN 14 13.098 4.726 -14.296 108 HA GLN 14 HA GLN 14 10.466 5.627 -14.270 109 HB2 GLN 14 1HB GLN 14 12.895 6.955 -15.485 110 HB3 GLN 14 2HB GLN 14 11.367 7.761 -15.126 111 HG2 GLN 14 1HG GLN 14 11.663 7.582 -12.813 112 HG3 GLN 14 2HG GLN 14 12.767 6.219 -12.963 113 HE21 GLN 14 2HE2 GLN 14 14.927 6.776 -14.072 114 HE22 GLN 14 1HE2 GLN 14 15.597 8.297 -13.728 115 H ALA 15 H ALA 15 12.578 4.797 -16.999 116 HA ALA 15 HA ALA 15 10.902 5.622 -19.093 117 HB1 ALA 15 1HB ALA 15 12.116 4.091 -20.491 118 HB2 ALA 15 2HB ALA 15 12.632 3.139 -19.098 119 HB3 ALA 15 3HB ALA 15 13.259 4.772 -19.333 120 H PHE 16 H PHE 16 10.990 2.610 -17.229 121 HA PHE 16 HA PHE 16 8.901 1.313 -18.680 122 HB2 PHE 16 1HB PHE 16 10.422 -0.024 -17.345 123 HB3 PHE 16 2HB PHE 16 9.955 0.844 -15.884 124 HD1 PHE 16 HD1 PHE 16 8.368 -1.041 -18.698 125 HD2 PHE 16 HD2 PHE 16 8.268 -0.064 -14.527 126 HE1 PHE 16 HE1 PHE 16 6.567 -2.704 -18.352 127 HE2 PHE 16 HE2 PHE 16 6.473 -1.745 -14.182 128 HZ PHE 16 HZ PHE 16 5.614 -3.051 -16.096 129 H VAL 17 H VAL 17 8.920 2.593 -15.351 130 HA VAL 17 HA VAL 17 6.172 2.422 -14.955 131 HB VAL 17 HB VAL 17 6.492 3.890 -13.092 132 HG11 VAL 17 1HG1 VAL 17 7.828 1.651 -13.294 133 HG12 VAL 17 2HG1 VAL 17 8.237 2.767 -11.991 134 HG13 VAL 17 3HG1 VAL 17 9.237 2.701 -13.439 135 HG21 VAL 17 3HG2 VAL 17 8.816 5.101 -13.017 136 HG22 VAL 17 1HG2 VAL 17 7.472 5.822 -13.902 137 HG23 VAL 17 2HG2 VAL 17 8.728 4.939 -14.767 138 H ASP 18 H ASP 18 8.132 4.974 -16.466 139 HA ASP 18 HA ASP 18 6.029 6.836 -16.806 140 HB2 ASP 18 1HB ASP 18 8.357 7.502 -17.168 141 HB3 ASP 18 2HB ASP 18 8.496 6.372 -18.512 142 H TYR 19 H TYR 19 7.298 4.157 -18.696 143 HA TYR 19 HA TYR 19 5.571 4.360 -20.925 144 HB2 TYR 19 1HB TYR 19 7.132 2.772 -21.466 145 HB3 TYR 19 2HB TYR 19 7.377 2.302 -19.787 146 HD1 TYR 19 HD1 TYR 19 4.721 2.210 -22.389 147 HD2 TYR 19 HD2 TYR 19 6.610 0.168 -19.126 148 HE1 TYR 19 HE1 TYR 19 3.212 0.291 -22.738 149 HE2 TYR 19 HE2 TYR 19 5.098 -1.763 -19.475 150 HH TYR 19 HH TYR 19 3.088 -2.396 -20.483 151 H MET 20 H MET 20 5.449 2.314 -18.027 152 HA MET 20 HA MET 20 2.902 1.240 -18.376 153 HB2 MET 20 1HB MET 20 4.334 1.977 -15.825 154 HB3 MET 20 2HB MET 20 2.928 0.921 -15.928 155 HG2 MET 20 1HG MET 20 5.512 0.443 -17.429 156 HG3 MET 20 2HG MET 20 5.096 -0.335 -15.916 157 HE1 MET 20 3HE MET 20 2.679 -2.600 -16.142 158 HE2 MET 20 1HE MET 20 1.585 -1.322 -16.676 159 HE3 MET 20 2HE MET 20 2.843 -0.976 -15.491 160 H ALA 21 H ALA 21 3.975 4.207 -16.835 161 HA ALA 21 HA ALA 21 1.451 5.157 -16.010 162 HB1 ALA 21 1HB ALA 21 2.547 7.309 -15.819 163 HB2 ALA 21 2HB ALA 21 3.839 6.797 -16.905 164 HB3 ALA 21 3HB ALA 21 3.690 6.067 -15.307 165 H THR 22 H THR 22 3.177 5.142 -19.053 166 HA THR 22 HA THR 22 1.503 6.956 -20.468 167 HB THR 22 HB THR 22 3.839 5.413 -20.920 168 HG1 THR 22 HG1 THR 22 2.934 7.620 -21.664 169 HG21 THR 22 3HG2 THR 22 2.237 3.698 -21.830 170 HG22 THR 22 1HG2 THR 22 3.466 4.253 -22.961 171 HG23 THR 22 2HG2 THR 22 1.816 4.863 -23.079 172 H GLN 23 H GLN 23 1.476 3.640 -19.526 173 HA GLN 23 HA GLN 23 -0.831 2.879 -21.125 174 HB2 GLN 23 1HB GLN 23 0.659 1.446 -18.923 175 HB3 GLN 23 2HB GLN 23 -0.666 0.762 -19.858 176 HG2 GLN 23 1HG GLN 23 1.670 1.923 -21.326 177 HG3 GLN 23 2HG GLN 23 1.858 0.347 -20.564 178 HE21 GLN 23 2HE2 GLN 23 1.536 1.247 -23.524 179 HE22 GLN 23 1HE2 GLN 23 0.309 0.228 -24.103 180 H GLY 24 H GLY 24 -0.419 4.873 -18.645 181 HA2 GLY 24 1HA GLY 24 -1.891 5.778 -17.127 182 HA3 GLY 24 2HA GLY 24 -3.107 4.627 -17.684 183 H VAL 25 H VAL 25 -0.151 3.280 -16.982 184 HA VAL 25 HA VAL 25 -1.110 2.156 -14.427 185 HB VAL 25 HB VAL 25 1.064 1.161 -16.283 186 HG11 VAL 25 1HG1 VAL 25 -0.276 0.208 -13.801 187 HG12 VAL 25 2HG1 VAL 25 1.407 0.056 -14.300 188 HG13 VAL 25 3HG1 VAL 25 0.178 -0.990 -15.008 189 HG21 VAL 25 3HG2 VAL 25 -0.941 -0.599 -16.661 190 HG22 VAL 25 1HG2 VAL 25 -0.738 0.818 -17.688 191 HG23 VAL 25 2HG2 VAL 25 -1.903 0.850 -16.368 192 H ILE 26 H ILE 26 -0.443 3.414 -12.915 193 HA ILE 26 HA ILE 26 2.005 4.869 -13.099 194 HB ILE 26 HB ILE 26 0.318 4.596 -10.635 195 HG12 ILE 26 1HG1 ILE 26 -0.722 6.775 -11.770 196 HG13 ILE 26 2HG1 ILE 26 -0.289 5.929 -13.256 197 HG21 ILE 26 1HG2 ILE 26 1.907 6.852 -11.865 198 HG22 ILE 26 2HG2 ILE 26 2.499 5.784 -10.592 199 HG23 ILE 26 3HG2 ILE 26 1.133 6.856 -10.282 200 HD11 ILE 26 3HD1 ILE 26 -2.644 5.531 -11.997 201 HD12 ILE 26 1HD1 ILE 26 -1.671 4.324 -11.160 202 HD13 ILE 26 2HD1 ILE 26 -1.842 4.260 -12.916 203 H LEU 27 H LEU 27 3.872 3.967 -12.788 204 HA LEU 27 HA LEU 27 4.207 2.066 -10.560 205 HB2 LEU 27 1HB LEU 27 5.570 2.315 -13.183 206 HB3 LEU 27 2HB LEU 27 6.554 1.867 -11.797 207 HG LEU 27 HG LEU 27 4.223 0.322 -11.582 208 HD11 LEU 27 1HD1 LEU 27 3.501 0.409 -13.763 209 HD12 LEU 27 2HD1 LEU 27 4.730 -0.835 -13.949 210 HD13 LEU 27 3HD1 LEU 27 5.096 0.827 -14.382 211 HD21 LEU 27 3HD2 LEU 27 6.940 -0.422 -12.699 212 HD22 LEU 27 1HD2 LEU 27 5.805 -1.502 -11.892 213 HD23 LEU 27 2HD2 LEU 27 6.599 -0.221 -10.982 214 H THR 28 H THR 28 6.975 2.499 -10.281 215 HA THR 28 HA THR 28 7.802 5.143 -10.240 216 HB THR 28 HB THR 28 6.409 4.264 -7.702 217 HG1 THR 28 HG1 THR 28 5.481 5.645 -9.516 218 HG21 THR 28 3HG2 THR 28 7.430 6.334 -6.679 219 HG22 THR 28 1HG2 THR 28 8.515 6.399 -8.068 220 HG23 THR 28 2HG2 THR 28 8.570 5.021 -6.968 221 H ILE 29 H ILE 29 9.848 5.361 -9.121 222 HA ILE 29 HA ILE 29 11.143 2.756 -8.733 223 HB ILE 29 HB ILE 29 12.825 5.173 -8.614 224 HG12 ILE 29 1HG1 ILE 29 11.104 5.945 -10.229 225 HG13 ILE 29 2HG1 ILE 29 12.644 5.654 -11.029 226 HG21 ILE 29 1HG2 ILE 29 13.677 2.865 -8.802 227 HG22 ILE 29 2HG2 ILE 29 14.159 3.838 -10.194 228 HG23 ILE 29 3HG2 ILE 29 12.836 2.679 -10.339 229 HD11 ILE 29 3HD1 ILE 29 11.337 3.177 -11.123 230 HD12 ILE 29 1HD1 ILE 29 11.525 4.312 -12.457 231 HD13 ILE 29 2HD1 ILE 29 10.073 4.356 -11.465 232 H GLN 30 H GLN 30 11.835 2.082 -6.788 233 HA GLN 30 HA GLN 30 11.420 3.905 -4.510 234 HB2 GLN 30 1HB GLN 30 11.297 0.937 -4.860 235 HB3 GLN 30 2HB GLN 30 11.746 1.574 -3.283 236 HG2 GLN 30 1HG GLN 30 9.267 2.415 -4.798 237 HG3 GLN 30 2HG GLN 30 9.284 1.187 -3.537 238 HE21 GLN 30 2HE2 GLN 30 9.864 4.663 -4.121 239 HE22 GLN 30 1HE2 GLN 30 9.657 5.123 -2.500 240 H GLN 31 H GLN 31 13.007 4.043 -2.849 241 HA GLN 31 HA GLN 31 15.701 4.063 -3.855 242 HB2 GLN 31 1HB GLN 31 14.769 5.786 -2.278 243 HB3 GLN 31 2HB GLN 31 14.791 4.555 -1.015 244 HG2 GLN 31 1HG GLN 31 17.023 4.735 -0.733 245 HG3 GLN 31 2HG GLN 31 17.327 4.714 -2.468 246 HE21 GLN 31 2HE2 GLN 31 16.050 7.013 -3.368 247 HE22 GLN 31 1HE2 GLN 31 16.711 8.380 -2.615 248 H HIS 32 H HIS 32 16.609 2.111 -4.148 249 HA HIS 32 HA HIS 32 17.159 0.502 -1.784 250 HB2 HIS 32 1HB HIS 32 15.180 -0.265 -3.746 251 HB3 HIS 32 2HB HIS 32 16.523 -1.407 -3.753 252 HD1 HIS 32 HD1 HIS 32 13.754 -2.263 -2.673 253 HD2 HIS 32 HD2 HIS 32 16.831 -0.761 -0.266 254 HE1 HIS 32 HE1 HIS 32 13.276 -3.035 -0.298 255 H ASN 33 H ASN 33 18.438 -1.561 -2.710 256 HA ASN 33 HA ASN 33 20.915 -0.726 -3.549 257 HB2 ASN 33 1HB ASN 33 20.450 -3.013 -2.742 258 HB3 ASN 33 2HB ASN 33 19.595 -3.360 -4.242 259 HD21 ASN 33 2HD2 ASN 33 22.717 -3.301 -2.761 260 HD22 ASN 33 1HD2 ASN 33 23.619 -3.618 -4.164 261 H GLN 34 H GLN 34 18.111 -1.584 -5.460 262 HA GLN 34 HA GLN 34 19.326 -0.266 -7.773 263 HB2 GLN 34 1HB GLN 34 18.486 -3.104 -7.592 264 HB3 GLN 34 2HB GLN 34 17.988 -2.230 -9.044 265 HG2 GLN 34 1HG GLN 34 20.151 -1.894 -9.762 266 HG3 GLN 34 2HG GLN 34 20.811 -1.870 -8.127 267 HE21 GLN 34 2HE2 GLN 34 21.465 -3.900 -7.185 268 HE22 GLN 34 1HE2 GLN 34 21.474 -5.349 -8.084 269 H SER 35 H SER 35 17.601 0.025 -9.508 270 HA SER 35 HA SER 35 15.548 1.640 -8.543 271 HB2 SER 35 1HB SER 35 15.054 0.446 -11.155 272 HB3 SER 35 2HB SER 35 15.269 2.130 -10.702 273 HG SER 35 HG SER 35 17.159 0.177 -11.406 274 H ASP 36 H ASP 36 14.602 0.177 -6.848 275 HA ASP 36 HA ASP 36 12.984 -2.059 -7.632 276 HB2 ASP 36 1HB ASP 36 13.193 -0.352 -5.207 277 HB3 ASP 36 2HB ASP 36 11.644 -1.133 -5.484 278 H VAL 37 H VAL 37 11.105 -2.032 -8.658 279 HA VAL 37 HA VAL 37 9.904 0.612 -9.117 280 HB VAL 37 HB VAL 37 8.994 -1.578 -10.827 281 HG11 VAL 37 1HG1 VAL 37 8.792 0.158 -12.269 282 HG12 VAL 37 2HG1 VAL 37 10.440 0.708 -11.982 283 HG13 VAL 37 3HG1 VAL 37 9.148 1.186 -10.888 284 HG21 VAL 37 3HG2 VAL 37 11.041 -1.974 -11.980 285 HG22 VAL 37 1HG2 VAL 37 11.438 -2.153 -10.288 286 HG23 VAL 37 2HG2 VAL 37 11.871 -0.676 -11.128 287 H TRP 38 H TRP 38 8.106 1.055 -8.152 288 HA TRP 38 HA TRP 38 6.430 -1.148 -7.123 289 HB2 TRP 38 1HB TRP 38 6.898 1.682 -6.203 290 HB3 TRP 38 2HB TRP 38 5.472 0.773 -5.700 291 HD1 TRP 38 HD1 TRP 38 9.185 -0.358 -6.027 292 HE1 TRP 38 HE1 TRP 38 9.830 -1.437 -3.769 293 HE3 TRP 38 HE3 TRP 38 4.863 0.347 -3.498 294 HZ2 TRP 38 HZ2 TRP 38 8.620 -1.943 -1.202 295 HZ3 TRP 38 HZ3 TRP 38 4.604 -0.419 -1.198 296 HH2 TRP 38 HH2 TRP 38 6.469 -1.569 -0.021 297 H LEU 39 H LEU 39 4.135 -0.869 -7.202 298 HA LEU 39 HA LEU 39 3.267 0.727 -9.535 299 HB2 LEU 39 1HB LEU 39 2.861 -1.610 -9.911 300 HB3 LEU 39 2HB LEU 39 2.104 -1.789 -8.335 301 HG LEU 39 HG LEU 39 0.386 -0.099 -9.083 302 HD11 LEU 39 1HD1 LEU 39 0.775 1.010 -11.008 303 HD12 LEU 39 2HD1 LEU 39 0.585 -0.508 -11.873 304 HD13 LEU 39 3HD1 LEU 39 2.186 0.009 -11.348 305 HD21 LEU 39 3HD2 LEU 39 0.651 -2.592 -10.752 306 HD22 LEU 39 1HD2 LEU 39 -0.840 -1.745 -10.381 307 HD23 LEU 39 2HD2 LEU 39 0.052 -2.550 -9.094 308 H ALA 40 H ALA 40 1.622 2.097 -9.334 309 HA ALA 40 HA ALA 40 0.633 2.639 -6.607 310 HB1 ALA 40 1HB ALA 40 1.508 4.295 -8.785 311 HB2 ALA 40 2HB ALA 40 1.031 4.777 -7.158 312 HB3 ALA 40 3HB ALA 40 -0.182 4.645 -8.432 313 H ASP 41 H ASP 41 -0.234 2.201 -9.953 314 HA ASP 41 HA ASP 41 -3.078 2.184 -9.535 315 HB2 ASP 41 1HB ASP 41 -1.636 2.576 -11.746 316 HB3 ASP 41 2HB ASP 41 -1.773 0.833 -11.867 317 H GLU 42 H GLU 42 -2.197 0.552 -7.614 318 HA GLU 42 HA GLU 42 -1.480 -1.989 -7.920 319 HB2 GLU 42 1HB GLU 42 -3.546 -0.780 -6.138 320 HB3 GLU 42 2HB GLU 42 -3.274 -2.528 -6.103 321 HG2 GLU 42 1HG GLU 42 -1.100 -2.323 -5.372 322 HG3 GLU 42 2HG GLU 42 -0.882 -0.734 -6.098 323 H SER 43 H SER 43 -4.536 -0.771 -9.059 324 HA SER 43 HA SER 43 -5.902 -3.178 -9.532 325 HB2 SER 43 1HB SER 43 -6.103 -1.360 -11.759 326 HB3 SER 43 2HB SER 43 -7.312 -1.744 -10.538 327 HG SER 43 HG SER 43 -5.499 0.366 -10.709 328 H GLN 44 H GLN 44 -3.267 -1.596 -11.014 329 HA GLN 44 HA GLN 44 -3.071 -3.285 -13.352 330 HB2 GLN 44 1HB GLN 44 -1.446 -0.993 -12.266 331 HB3 GLN 44 2HB GLN 44 -1.092 -1.813 -13.761 332 HG2 GLN 44 1HG GLN 44 -3.703 -0.443 -13.143 333 HG3 GLN 44 2HG GLN 44 -2.404 0.275 -14.087 334 HE21 GLN 44 2HE2 GLN 44 -4.470 0.235 -15.654 335 HE22 GLN 44 1HE2 GLN 44 -4.566 -1.124 -16.667 336 H ALA 45 H ALA 45 -2.062 -3.437 -10.147 337 HA ALA 45 HA ALA 45 0.511 -4.247 -9.959 338 HB1 ALA 45 1HB ALA 45 -1.893 -5.696 -8.884 339 HB2 ALA 45 2HB ALA 45 -1.025 -4.379 -8.094 340 HB3 ALA 45 3HB ALA 45 -0.240 -5.943 -8.329 341 H GLU 46 H GLU 46 -2.037 -6.547 -10.518 342 HA GLU 46 HA GLU 46 -0.592 -8.756 -11.288 343 HB2 GLU 46 1HB GLU 46 -2.671 -9.429 -12.422 344 HB3 GLU 46 2HB GLU 46 -3.023 -8.676 -10.862 345 HG2 GLU 46 1HG GLU 46 -3.248 -6.465 -12.131 346 HG3 GLU 46 2HG GLU 46 -3.248 -7.423 -13.613 347 H ARG 47 H ARG 47 -1.783 -6.064 -13.193 348 HA ARG 47 HA ARG 47 -0.955 -6.910 -15.751 349 HB2 ARG 47 1HB ARG 47 -2.500 -4.939 -15.096 350 HB3 ARG 47 2HB ARG 47 -1.005 -4.042 -14.862 351 HG2 ARG 47 1HG ARG 47 -0.625 -5.274 -17.312 352 HG3 ARG 47 2HG ARG 47 -2.332 -4.813 -17.339 353 HD2 ARG 47 1HD ARG 47 -1.876 -2.570 -17.174 354 HD3 ARG 47 2HD ARG 47 -0.401 -2.822 -16.259 355 HE ARG 47 HE ARG 47 0.653 -3.491 -18.414 356 HH11 ARG 47 1HH2 ARG 47 -2.313 -1.660 -18.465 357 HH12 ARG 47 2HH2 ARG 47 -1.969 -0.918 -19.989 358 HH21 ARG 47 1HH1 ARG 47 1.081 -2.517 -20.384 359 HH22 ARG 47 2HH1 ARG 47 -0.077 -1.422 -21.093 360 H VAL 48 H VAL 48 0.368 -4.372 -13.798 361 HA VAL 48 HA VAL 48 2.804 -4.046 -15.030 362 HB VAL 48 HB VAL 48 2.240 -3.839 -12.069 363 HG11 VAL 48 1HG1 VAL 48 4.183 -2.651 -14.028 364 HG12 VAL 48 2HG1 VAL 48 4.506 -3.415 -12.475 365 HG13 VAL 48 3HG1 VAL 48 3.771 -1.818 -12.528 366 HG21 VAL 48 3HG2 VAL 48 1.812 -1.389 -13.263 367 HG22 VAL 48 1HG2 VAL 48 0.554 -2.500 -12.735 368 HG23 VAL 48 2HG2 VAL 48 1.093 -2.519 -14.410 369 H ARG 49 H ARG 49 2.301 -5.859 -12.039 370 HA ARG 49 HA ARG 49 4.769 -6.998 -11.841 371 HB2 ARG 49 1HB ARG 49 2.969 -7.315 -10.163 372 HB3 ARG 49 2HB ARG 49 2.154 -8.426 -11.259 373 HG2 ARG 49 1HG ARG 49 3.667 -10.105 -10.909 374 HG3 ARG 49 2HG ARG 49 5.015 -8.985 -10.681 375 HD2 ARG 49 1HD ARG 49 3.146 -8.496 -8.603 376 HD3 ARG 49 2HD ARG 49 3.380 -10.235 -8.688 377 HE ARG 49 HE ARG 49 5.854 -9.720 -8.536 378 HH11 ARG 49 1HH2 ARG 49 3.427 -7.554 -7.318 379 HH12 ARG 49 2HH2 ARG 49 4.500 -6.742 -6.223 380 HH21 ARG 49 1HH1 ARG 49 7.250 -8.704 -7.061 381 HH22 ARG 49 2HH1 ARG 49 6.664 -7.424 -6.051 382 H ALA 50 H ALA 50 2.129 -7.903 -13.969 383 HA ALA 50 HA ALA 50 3.476 -10.253 -15.006 384 HB1 ALA 50 1HB ALA 50 1.026 -8.751 -15.978 385 HB2 ALA 50 2HB ALA 50 1.025 -10.194 -14.967 386 HB3 ALA 50 3HB ALA 50 1.595 -10.284 -16.631 387 H GLU 51 H GLU 51 2.674 -6.999 -16.100 388 HA GLU 51 HA GLU 51 3.596 -6.885 -18.642 389 HB2 GLU 51 1HB GLU 51 3.932 -4.885 -16.425 390 HB3 GLU 51 2HB GLU 51 4.386 -4.542 -18.094 391 HG2 GLU 51 1HG GLU 51 1.700 -5.757 -17.631 392 HG3 GLU 51 2HG GLU 51 1.906 -4.059 -17.214 393 H LEU 52 H LEU 52 5.700 -6.412 -15.794 394 HA LEU 52 HA LEU 52 8.047 -5.990 -16.963 395 HB2 LEU 52 1HB LEU 52 7.397 -7.845 -14.720 396 HB3 LEU 52 2HB LEU 52 9.057 -7.661 -15.282 397 HG LEU 52 HG LEU 52 8.379 -6.094 -13.409 398 HD11 LEU 52 1HD1 LEU 52 9.982 -5.747 -15.654 399 HD12 LEU 52 2HD1 LEU 52 10.029 -4.767 -14.197 400 HD13 LEU 52 3HD1 LEU 52 9.048 -4.255 -15.568 401 HD21 LEU 52 3HD2 LEU 52 6.772 -4.825 -15.638 402 HD22 LEU 52 1HD2 LEU 52 7.108 -4.086 -14.077 403 HD23 LEU 52 2HD2 LEU 52 6.125 -5.542 -14.162 404 H ALA 53 H ALA 53 7.025 -9.387 -16.440 405 HA ALA 53 HA ALA 53 8.886 -10.630 -18.064 406 HB1 ALA 53 1HB ALA 53 7.574 -12.139 -16.940 407 HB2 ALA 53 2HB ALA 53 6.890 -12.242 -18.562 408 HB3 ALA 53 3HB ALA 53 6.080 -11.283 -17.326 409 H ARG 54 H ARG 54 5.969 -8.919 -18.958 410 HA ARG 54 HA ARG 54 6.122 -9.668 -21.766 411 HB2 ARG 54 1HB ARG 54 4.541 -7.337 -20.719 412 HB3 ARG 54 2HB ARG 54 4.158 -8.422 -22.051 413 HG2 ARG 54 1HG ARG 54 4.373 -9.927 -19.579 414 HG3 ARG 54 2HG ARG 54 3.223 -8.601 -19.391 415 HD2 ARG 54 1HD ARG 54 2.254 -10.766 -20.299 416 HD3 ARG 54 2HD ARG 54 1.941 -9.320 -21.260 417 HE ARG 54 HE ARG 54 4.306 -10.894 -21.979 418 HH11 ARG 54 1HH2 ARG 54 0.964 -10.127 -22.571 419 HH12 ARG 54 2HH2 ARG 54 1.020 -10.602 -24.241 420 HH21 ARG 54 1HH1 ARG 54 4.380 -11.502 -24.136 421 HH22 ARG 54 2HH1 ARG 54 2.946 -11.407 -25.119 422 H PHE 55 H PHE 55 6.301 -6.713 -19.938 423 HA PHE 55 HA PHE 55 7.282 -4.887 -21.706 424 HB2 PHE 55 1HB PHE 55 6.849 -3.935 -19.720 425 HB3 PHE 55 2HB PHE 55 7.300 -5.368 -18.818 426 HD1 PHE 55 HD1 PHE 55 8.583 -2.412 -20.550 427 HD2 PHE 55 HD2 PHE 55 9.448 -5.612 -17.853 428 HE1 PHE 55 HE1 PHE 55 10.719 -1.300 -19.919 429 HE2 PHE 55 HE2 PHE 55 11.574 -4.514 -17.219 430 HZ PHE 55 HZ PHE 55 12.214 -2.352 -18.256 431 H LEU 56 H LEU 56 8.851 -7.626 -20.301 432 HA LEU 56 HA LEU 56 11.551 -6.792 -20.942 433 HB2 LEU 56 1HB LEU 56 10.259 -9.282 -19.870 434 HB3 LEU 56 2HB LEU 56 11.883 -9.365 -20.517 435 HG LEU 56 HG LEU 56 12.735 -8.524 -18.630 436 HD11 LEU 56 1HD1 LEU 56 10.764 -6.331 -19.186 437 HD12 LEU 56 2HD1 LEU 56 12.517 -6.286 -19.311 438 HD13 LEU 56 3HD1 LEU 56 11.745 -6.311 -17.728 439 HD21 LEU 56 3HD2 LEU 56 10.127 -9.411 -17.994 440 HD22 LEU 56 1HD2 LEU 56 10.378 -7.929 -17.083 441 HD23 LEU 56 2HD2 LEU 56 11.499 -9.278 -16.908 442 H GLU 57 H GLU 57 9.360 -9.340 -22.139 443 HA GLU 57 HA GLU 57 10.995 -9.728 -24.502 444 HB2 GLU 57 1HB GLU 57 8.961 -11.217 -25.134 445 HB3 GLU 57 2HB GLU 57 10.053 -11.746 -23.861 446 HG2 GLU 57 1HG GLU 57 8.391 -11.711 -22.321 447 HG3 GLU 57 2HG GLU 57 7.919 -10.079 -22.781 448 H ASN 58 H ASN 58 8.467 -7.616 -23.632 449 HA ASN 58 HA ASN 58 8.219 -6.831 -26.436 450 HB2 ASN 58 1HB ASN 58 6.416 -8.680 -25.303 451 HB3 ASN 58 2HB ASN 58 5.541 -7.161 -25.466 452 HD21 ASN 58 2HD2 ASN 58 8.022 -8.868 -27.453 453 HD22 ASN 58 1HD2 ASN 58 7.152 -8.724 -28.907 454 HA PRO 59 HA PRO 59 7.395 -3.507 -23.172 455 HB2 PRO 59 1HB PRO 59 9.592 -1.942 -23.862 456 HB3 PRO 59 2HB PRO 59 9.568 -3.079 -22.506 457 HG2 PRO 59 1HG PRO 59 10.734 -3.378 -25.212 458 HG3 PRO 59 2HG PRO 59 11.298 -4.019 -23.660 459 HD2 PRO 59 1HD PRO 59 10.012 -5.554 -25.533 460 HD3 PRO 59 2HD PRO 59 9.945 -5.892 -23.793 461 H ALA 60 H ALA 60 8.130 -0.935 -24.142 462 HA ALA 60 HA ALA 60 7.584 0.647 -25.713 463 HB1 ALA 60 1HB ALA 60 7.054 -1.478 -27.755 464 HB2 ALA 60 2HB ALA 60 8.706 -1.220 -27.195 465 HB3 ALA 60 3HB ALA 60 7.815 0.098 -27.955 466 H ASP 61 H ASP 61 5.557 -2.252 -26.315 467 HA ASP 61 HA ASP 61 3.187 -0.505 -25.967 468 HB2 ASP 61 1HB ASP 61 3.884 -1.405 -28.381 469 HB3 ASP 61 2HB ASP 61 3.021 -2.832 -27.815 470 H LEU 62 H LEU 62 1.168 -1.994 -25.874 471 HA LEU 62 HA LEU 62 1.668 -3.995 -23.764 472 HB2 LEU 62 1HB LEU 62 0.176 -2.086 -23.203 473 HB3 LEU 62 2HB LEU 62 -0.905 -2.573 -24.508 474 HG LEU 62 HG LEU 62 -1.262 -4.749 -23.422 475 HD11 LEU 62 1HD1 LEU 62 0.442 -5.445 -22.102 476 HD12 LEU 62 2HD1 LEU 62 -0.352 -4.510 -20.838 477 HD13 LEU 62 3HD1 LEU 62 0.977 -3.802 -21.757 478 HD21 LEU 62 3HD2 LEU 62 -2.116 -2.210 -22.438 479 HD22 LEU 62 1HD2 LEU 62 -1.864 -3.263 -21.045 480 HD23 LEU 62 2HD2 LEU 62 -2.955 -3.757 -22.335 481 H ASP 63 H ASP 63 0.766 -6.046 -23.905 482 HA ASP 63 HA ASP 63 0.301 -6.991 -26.614 483 HB2 ASP 63 1HB ASP 63 1.615 -8.104 -24.561 484 HB3 ASP 63 2HB ASP 63 0.026 -8.794 -24.262 Start of MODEL 10 1 H1 MET 1 H MET 1 -0.772 1.173 -3.439 2 HA MET 1 HA MET 1 1.285 1.765 -4.396 3 HB2 MET 1 1HB MET 1 2.099 2.066 -1.511 4 HB3 MET 1 2HB MET 1 3.317 1.763 -2.751 5 HG2 MET 1 1HG MET 1 1.372 4.085 -2.618 6 HG3 MET 1 2HG MET 1 3.128 4.153 -2.511 7 HE1 MET 1 3HE MET 1 4.602 3.750 -5.704 8 HE2 MET 1 1HE MET 1 4.065 2.126 -5.254 9 HE3 MET 1 2HE MET 1 4.617 3.257 -4.016 10 H LEU 2 H LEU 2 2.421 0.074 -5.249 11 HA LEU 2 HA LEU 2 2.439 -2.458 -3.700 12 HB2 LEU 2 1HB LEU 2 0.738 -2.099 -5.687 13 HB3 LEU 2 2HB LEU 2 2.142 -2.478 -6.656 14 HG LEU 2 HG LEU 2 2.341 -4.402 -4.771 15 HD11 LEU 2 1HD1 LEU 2 0.204 -5.199 -4.152 16 HD12 LEU 2 2HD1 LEU 2 -0.607 -4.187 -5.347 17 HD13 LEU 2 3HD1 LEU 2 0.101 -3.458 -3.903 18 HD21 LEU 2 3HD2 LEU 2 2.524 -5.026 -7.005 19 HD22 LEU 2 1HD2 LEU 2 1.048 -4.179 -7.464 20 HD23 LEU 2 2HD2 LEU 2 0.950 -5.711 -6.600 21 H MET 3 H MET 3 4.097 -3.915 -4.203 22 HA MET 3 HA MET 3 6.444 -2.676 -5.447 23 HB2 MET 3 1HB MET 3 6.454 -3.836 -3.100 24 HB3 MET 3 2HB MET 3 6.463 -5.331 -4.039 25 HG2 MET 3 1HG MET 3 8.439 -3.105 -4.567 26 HG3 MET 3 2HG MET 3 8.752 -4.370 -3.377 27 HE1 MET 3 3HE MET 3 10.863 -5.046 -6.706 28 HE2 MET 3 1HE MET 3 10.939 -4.491 -5.027 29 HE3 MET 3 2HE MET 3 10.213 -3.470 -6.262 30 H ILE 4 H ILE 4 6.899 -3.197 -7.486 31 HA ILE 4 HA ILE 4 5.553 -5.549 -8.633 32 HB ILE 4 HB ILE 4 6.535 -2.946 -9.760 33 HG12 ILE 4 1HG1 ILE 4 4.248 -3.249 -8.822 34 HG13 ILE 4 2HG1 ILE 4 4.241 -2.817 -10.528 35 HG21 ILE 4 1HG2 ILE 4 5.713 -5.346 -11.417 36 HG22 ILE 4 2HG2 ILE 4 7.379 -4.814 -11.212 37 HG23 ILE 4 3HG2 ILE 4 6.218 -3.765 -12.013 38 HD11 ILE 4 3HD1 ILE 4 4.261 -5.507 -10.753 39 HD12 ILE 4 1HD1 ILE 4 2.769 -4.576 -10.631 40 HD13 ILE 4 2HD1 ILE 4 3.442 -5.356 -9.199 41 H THR 5 H THR 5 8.628 -3.816 -9.031 42 HA THR 5 HA THR 5 10.166 -6.218 -8.838 43 HB THR 5 HB THR 5 8.994 -6.218 -11.218 44 HG1 THR 5 HG1 THR 5 10.475 -7.696 -11.236 45 HG21 THR 5 3HG2 THR 5 9.499 -3.939 -11.850 46 HG22 THR 5 1HG2 THR 5 10.423 -5.030 -12.887 47 HG23 THR 5 2HG2 THR 5 11.222 -4.191 -11.566 48 H SER 6 H SER 6 12.334 -5.560 -10.161 49 HA SER 6 HA SER 6 12.966 -2.789 -9.468 50 HB2 SER 6 1HB SER 6 15.276 -3.846 -8.816 51 HB3 SER 6 2HB SER 6 13.976 -3.709 -7.643 52 HG SER 6 HG SER 6 14.132 -5.789 -7.468 53 H PHE 7 H PHE 7 14.352 -1.853 -10.875 54 HA PHE 7 HA PHE 7 14.738 -3.384 -13.364 55 HB2 PHE 7 1HB PHE 7 14.313 -0.522 -12.638 56 HB3 PHE 7 2HB PHE 7 15.123 -0.916 -14.144 57 HD1 PHE 7 HD1 PHE 7 12.452 -3.024 -12.564 58 HD2 PHE 7 HD2 PHE 7 13.411 -0.196 -15.624 59 HE1 PHE 7 HE1 PHE 7 10.276 -3.471 -13.681 60 HE2 PHE 7 HE2 PHE 7 11.280 -0.667 -16.706 61 HZ PHE 7 HZ PHE 7 9.707 -2.289 -15.763 62 H ALA 8 H ALA 8 16.694 -3.575 -14.348 63 HA ALA 8 HA ALA 8 19.070 -3.522 -12.863 64 HB1 ALA 8 1HB ALA 8 20.194 -3.603 -15.135 65 HB2 ALA 8 2HB ALA 8 18.593 -3.423 -15.855 66 HB3 ALA 8 3HB ALA 8 18.964 -4.842 -14.875 67 H ASN 9 H ASN 9 17.303 -1.037 -14.362 68 HA ASN 9 HA ASN 9 19.382 0.897 -13.706 69 HB2 ASN 9 1HB ASN 9 18.213 0.424 -16.380 70 HB3 ASN 9 2HB ASN 9 18.500 2.082 -15.902 71 HD21 ASN 9 2HD2 ASN 9 19.918 -0.117 -17.739 72 HD22 ASN 9 1HD2 ASN 9 21.553 0.135 -17.363 73 HA PRO 10 HA PRO 10 15.887 3.216 -12.316 74 HB2 PRO 10 1HB PRO 10 16.881 5.702 -12.236 75 HB3 PRO 10 2HB PRO 10 17.552 4.419 -11.204 76 HG2 PRO 10 1HG PRO 10 18.600 5.520 -13.759 77 HG3 PRO 10 2HG PRO 10 19.468 5.069 -12.286 78 HD2 PRO 10 1HD PRO 10 19.281 3.476 -14.554 79 HD3 PRO 10 2HD PRO 10 19.649 2.874 -12.921 80 H ARG 11 H ARG 11 17.594 4.668 -15.106 81 HA ARG 11 HA ARG 11 15.436 6.196 -16.113 82 HB2 ARG 11 1HB ARG 11 17.470 4.779 -17.837 83 HB3 ARG 11 2HB ARG 11 16.623 6.277 -18.186 84 HG2 ARG 11 1HG ARG 11 17.969 7.523 -16.746 85 HG3 ARG 11 2HG ARG 11 18.395 6.121 -15.767 86 HD2 ARG 11 1HD ARG 11 20.153 5.606 -17.070 87 HD3 ARG 11 2HD ARG 11 19.202 5.783 -18.540 88 HE ARG 11 HE ARG 11 21.064 7.676 -17.520 89 HH11 ARG 11 1HH2 ARG 11 17.900 7.421 -18.910 90 HH12 ARG 11 2HH2 ARG 11 17.959 8.955 -19.710 91 HH21 ARG 11 1HH1 ARG 11 21.164 9.712 -18.561 92 HH22 ARG 11 2HH1 ARG 11 19.811 10.273 -19.492 93 H VAL 12 H VAL 12 16.626 2.967 -16.823 94 HA VAL 12 HA VAL 12 14.672 2.062 -18.582 95 HB VAL 12 HB VAL 12 16.930 1.052 -17.530 96 HG11 VAL 12 1HG1 VAL 12 15.376 0.600 -15.403 97 HG12 VAL 12 2HG1 VAL 12 16.708 -0.454 -15.845 98 HG13 VAL 12 3HG1 VAL 12 15.067 -0.883 -16.295 99 HG21 VAL 12 3HG2 VAL 12 16.254 -1.164 -18.468 100 HG22 VAL 12 1HG2 VAL 12 15.991 0.202 -19.548 101 HG23 VAL 12 2HG2 VAL 12 14.630 -0.510 -18.680 102 H ALA 13 H ALA 13 14.720 2.439 -15.129 103 HA ALA 13 HA ALA 13 12.268 1.057 -14.505 104 HB1 ALA 13 1HB ALA 13 14.368 1.929 -13.037 105 HB2 ALA 13 2HB ALA 13 12.772 1.636 -12.352 106 HB3 ALA 13 3HB ALA 13 13.254 3.271 -12.788 107 H GLN 14 H GLN 14 13.178 4.489 -14.382 108 HA GLN 14 HA GLN 14 10.624 5.547 -14.141 109 HB2 GLN 14 1HB GLN 14 13.001 6.756 -15.551 110 HB3 GLN 14 2HB GLN 14 11.589 7.634 -14.969 111 HG2 GLN 14 1HG GLN 14 12.158 7.343 -12.723 112 HG3 GLN 14 2HG GLN 14 13.119 5.906 -13.053 113 HE21 GLN 14 2HE2 GLN 14 15.221 6.293 -14.242 114 HE22 GLN 14 1HE2 GLN 14 16.029 7.764 -13.989 115 H ALA 15 H ALA 15 12.419 4.628 -17.047 116 HA ALA 15 HA ALA 15 10.660 5.705 -18.962 117 HB1 ALA 15 1HB ALA 15 11.590 3.999 -20.491 118 HB2 ALA 15 2HB ALA 15 12.332 3.182 -19.118 119 HB3 ALA 15 3HB ALA 15 12.856 4.801 -19.567 120 H PHE 16 H PHE 16 10.803 2.435 -17.573 121 HA PHE 16 HA PHE 16 8.524 1.355 -18.813 122 HB2 PHE 16 1HB PHE 16 10.077 -0.046 -17.682 123 HB3 PHE 16 2HB PHE 16 9.787 0.747 -16.141 124 HD1 PHE 16 HD1 PHE 16 7.851 -0.984 -18.863 125 HD2 PHE 16 HD2 PHE 16 8.337 -0.271 -14.653 126 HE1 PHE 16 HE1 PHE 16 6.184 -2.759 -18.371 127 HE2 PHE 16 HE2 PHE 16 6.665 -2.038 -14.171 128 HZ PHE 16 HZ PHE 16 5.577 -3.261 -16.024 129 H VAL 17 H VAL 17 8.856 2.583 -15.491 130 HA VAL 17 HA VAL 17 6.130 2.474 -14.899 131 HB VAL 17 HB VAL 17 6.617 3.927 -13.041 132 HG11 VAL 17 1HG1 VAL 17 8.254 2.591 -12.019 133 HG12 VAL 17 2HG1 VAL 17 9.219 2.482 -13.486 134 HG13 VAL 17 3HG1 VAL 17 7.728 1.558 -13.349 135 HG21 VAL 17 3HG2 VAL 17 7.768 5.721 -14.164 136 HG22 VAL 17 1HG2 VAL 17 9.060 4.634 -14.665 137 HG23 VAL 17 2HG2 VAL 17 8.880 5.058 -12.966 138 H ASP 18 H ASP 18 8.092 5.030 -16.401 139 HA ASP 18 HA ASP 18 6.006 6.932 -16.590 140 HB2 ASP 18 1HB ASP 18 8.159 7.787 -17.074 141 HB3 ASP 18 2HB ASP 18 8.517 6.479 -18.202 142 H TYR 19 H TYR 19 7.136 4.277 -18.564 143 HA TYR 19 HA TYR 19 5.345 4.577 -20.739 144 HB2 TYR 19 1HB TYR 19 6.971 3.095 -21.337 145 HB3 TYR 19 2HB TYR 19 7.180 2.494 -19.697 146 HD1 TYR 19 HD1 TYR 19 4.844 2.462 -22.567 147 HD2 TYR 19 HD2 TYR 19 6.179 0.448 -19.020 148 HE1 TYR 19 HE1 TYR 19 3.403 0.537 -23.132 149 HE2 TYR 19 HE2 TYR 19 4.736 -1.482 -19.584 150 HH TYR 19 HH TYR 19 3.111 -2.248 -20.933 151 H MET 20 H MET 20 5.313 2.371 -17.936 152 HA MET 20 HA MET 20 2.757 1.303 -18.214 153 HB2 MET 20 1HB MET 20 4.264 2.032 -15.694 154 HB3 MET 20 2HB MET 20 2.850 0.987 -15.757 155 HG2 MET 20 1HG MET 20 4.591 -0.013 -17.730 156 HG3 MET 20 2HG MET 20 5.609 0.323 -16.336 157 HE1 MET 20 3HE MET 20 1.859 -2.272 -16.462 158 HE2 MET 20 1HE MET 20 2.303 -0.903 -17.488 159 HE3 MET 20 2HE MET 20 1.706 -0.631 -15.856 160 H ALA 21 H ALA 21 3.919 4.230 -16.652 161 HA ALA 21 HA ALA 21 1.442 5.232 -15.743 162 HB1 ALA 21 1HB ALA 21 2.650 7.404 -15.675 163 HB2 ALA 21 2HB ALA 21 3.979 6.661 -16.559 164 HB3 ALA 21 3HB ALA 21 3.579 6.099 -14.937 165 H THR 22 H THR 22 3.115 5.295 -18.824 166 HA THR 22 HA THR 22 1.469 7.222 -20.114 167 HB THR 22 HB THR 22 3.741 5.644 -20.703 168 HG1 THR 22 HG1 THR 22 3.450 7.795 -21.303 169 HG21 THR 22 3HG2 THR 22 2.110 3.969 -21.617 170 HG22 THR 22 1HG2 THR 22 3.256 4.587 -22.802 171 HG23 THR 22 2HG2 THR 22 1.598 5.184 -22.785 172 H GLN 23 H GLN 23 1.388 3.834 -19.389 173 HA GLN 23 HA GLN 23 -0.954 3.192 -20.935 174 HB2 GLN 23 1HB GLN 23 1.016 1.726 -19.672 175 HB3 GLN 23 2HB GLN 23 -0.400 1.485 -18.657 176 HG2 GLN 23 1HG GLN 23 -1.189 0.002 -20.157 177 HG3 GLN 23 2HG GLN 23 -1.302 1.303 -21.339 178 HE21 GLN 23 2HE2 GLN 23 1.022 -1.093 -20.020 179 HE22 GLN 23 1HE2 GLN 23 1.932 -1.203 -21.451 180 H GLY 24 H GLY 24 -0.354 5.041 -18.320 181 HA2 GLY 24 1HA GLY 24 -1.860 6.123 -16.929 182 HA3 GLY 24 2HA GLY 24 -3.099 4.952 -17.384 183 H VAL 25 H VAL 25 -0.520 3.166 -16.914 184 HA VAL 25 HA VAL 25 -1.267 2.306 -14.215 185 HB VAL 25 HB VAL 25 0.873 1.147 -15.987 186 HG11 VAL 25 1HG1 VAL 25 0.877 0.134 -13.905 187 HG12 VAL 25 2HG1 VAL 25 -0.203 -0.913 -14.825 188 HG13 VAL 25 3HG1 VAL 25 -0.861 0.286 -13.715 189 HG21 VAL 25 3HG2 VAL 25 -0.666 0.038 -17.323 190 HG22 VAL 25 1HG2 VAL 25 -1.570 1.527 -17.053 191 HG23 VAL 25 2HG2 VAL 25 -1.927 0.093 -16.098 192 H ILE 26 H ILE 26 -0.504 3.571 -12.765 193 HA ILE 26 HA ILE 26 1.978 4.939 -13.053 194 HB ILE 26 HB ILE 26 0.516 4.765 -10.468 195 HG12 ILE 26 1HG1 ILE 26 -0.813 6.795 -11.540 196 HG13 ILE 26 2HG1 ILE 26 -0.476 5.941 -13.048 197 HG21 ILE 26 1HG2 ILE 26 2.128 6.773 -12.023 198 HG22 ILE 26 2HG2 ILE 26 2.470 6.073 -10.439 199 HG23 ILE 26 3HG2 ILE 26 1.157 7.238 -10.624 200 HD11 ILE 26 3HD1 ILE 26 -1.971 4.295 -12.571 201 HD12 ILE 26 1HD1 ILE 26 -2.587 5.391 -11.339 202 HD13 ILE 26 2HD1 ILE 26 -1.404 4.158 -10.906 203 H LEU 27 H LEU 27 3.811 3.933 -12.845 204 HA LEU 27 HA LEU 27 4.180 2.116 -10.557 205 HB2 LEU 27 1HB LEU 27 5.494 2.271 -13.212 206 HB3 LEU 27 2HB LEU 27 6.507 1.874 -11.833 207 HG LEU 27 HG LEU 27 4.138 0.342 -11.577 208 HD11 LEU 27 1HD1 LEU 27 5.035 0.788 -14.348 209 HD12 LEU 27 2HD1 LEU 27 3.501 0.163 -13.747 210 HD13 LEU 27 3HD1 LEU 27 4.896 -0.902 -13.888 211 HD21 LEU 27 3HD2 LEU 27 6.929 -0.433 -12.489 212 HD22 LEU 27 1HD2 LEU 27 5.745 -1.509 -11.751 213 HD23 LEU 27 2HD2 LEU 27 6.452 -0.200 -10.810 214 H THR 28 H THR 28 6.952 2.525 -10.348 215 HA THR 28 HA THR 28 7.863 5.119 -10.421 216 HB THR 28 HB THR 28 6.303 4.492 -7.919 217 HG1 THR 28 HG1 THR 28 5.448 5.785 -9.677 218 HG21 THR 28 3HG2 THR 28 8.441 5.073 -7.028 219 HG22 THR 28 1HG2 THR 28 7.473 6.543 -6.954 220 HG23 THR 28 2HG2 THR 28 8.674 6.344 -8.228 221 H ILE 29 H ILE 29 9.880 5.329 -9.279 222 HA ILE 29 HA ILE 29 11.048 2.723 -8.675 223 HB ILE 29 HB ILE 29 12.767 5.121 -8.562 224 HG12 ILE 29 1HG1 ILE 29 11.207 5.837 -10.337 225 HG13 ILE 29 2HG1 ILE 29 12.777 5.427 -11.018 226 HG21 ILE 29 1HG2 ILE 29 13.336 2.575 -8.674 227 HG22 ILE 29 2HG2 ILE 29 14.298 3.703 -9.628 228 HG23 ILE 29 3HG2 ILE 29 13.026 2.756 -10.398 229 HD11 ILE 29 3HD1 ILE 29 10.159 4.032 -11.333 230 HD12 ILE 29 1HD1 ILE 29 11.585 3.001 -11.197 231 HD13 ILE 29 2HD1 ILE 29 11.483 4.204 -12.480 232 H GLN 30 H GLN 30 11.618 2.145 -6.624 233 HA GLN 30 HA GLN 30 10.844 4.001 -4.486 234 HB2 GLN 30 1HB GLN 30 10.856 1.124 -4.846 235 HB3 GLN 30 2HB GLN 30 11.697 1.568 -3.365 236 HG2 GLN 30 1HG GLN 30 8.934 2.531 -4.135 237 HG3 GLN 30 2HG GLN 30 9.276 1.244 -2.979 238 HE21 GLN 30 2HE2 GLN 30 8.918 4.651 -3.310 239 HE22 GLN 30 1HE2 GLN 30 9.469 5.071 -1.761 240 H GLN 31 H GLN 31 12.230 4.836 -3.015 241 HA GLN 31 HA GLN 31 14.931 5.165 -3.670 242 HB2 GLN 31 1HB GLN 31 13.347 6.453 -1.980 243 HB3 GLN 31 2HB GLN 31 14.042 5.333 -0.811 244 HG2 GLN 31 1HG GLN 31 16.000 6.454 -0.780 245 HG3 GLN 31 2HG GLN 31 16.096 6.465 -2.540 246 HE21 GLN 31 2HE2 GLN 31 14.065 8.028 -3.393 247 HE22 GLN 31 1HE2 GLN 31 14.116 9.572 -2.692 248 H HIS 32 H HIS 32 16.105 3.373 -3.972 249 HA HIS 32 HA HIS 32 16.714 1.697 -1.644 250 HB2 HIS 32 1HB HIS 32 15.469 0.779 -4.211 251 HB3 HIS 32 2HB HIS 32 16.697 -0.242 -3.476 252 HD1 HIS 32 HD1 HIS 32 14.599 1.695 -1.097 253 HD2 HIS 32 HD2 HIS 32 14.553 -2.085 -2.868 254 HE1 HIS 32 HE1 HIS 32 12.926 0.304 0.206 255 H ASN 33 H ASN 33 18.598 0.137 -2.395 256 HA ASN 33 HA ASN 33 20.622 1.831 -3.612 257 HB2 ASN 33 1HB ASN 33 20.934 0.139 -1.657 258 HB3 ASN 33 2HB ASN 33 21.034 -1.069 -2.935 259 HD21 ASN 33 2HD2 ASN 33 23.340 -0.787 -1.519 260 HD22 ASN 33 1HD2 ASN 33 24.495 0.098 -2.395 261 H GLN 34 H GLN 34 18.293 0.963 -5.118 262 HA GLN 34 HA GLN 34 19.470 0.365 -7.614 263 HB2 GLN 34 1HB GLN 34 18.058 -1.844 -7.845 264 HB3 GLN 34 2HB GLN 34 19.658 -1.913 -7.112 265 HG2 GLN 34 1HG GLN 34 18.749 -1.989 -4.901 266 HG3 GLN 34 2HG GLN 34 17.140 -1.555 -5.475 267 HE21 GLN 34 2HE2 GLN 34 15.749 -3.291 -5.830 268 HE22 GLN 34 1HE2 GLN 34 16.254 -4.901 -6.056 269 H SER 35 H SER 35 17.469 -0.268 -9.173 270 HA SER 35 HA SER 35 15.455 1.765 -8.584 271 HB2 SER 35 1HB SER 35 15.771 0.156 -11.107 272 HB3 SER 35 2HB SER 35 14.899 1.670 -10.889 273 HG SER 35 HG SER 35 17.168 2.337 -10.054 274 H ASP 36 H ASP 36 14.398 0.526 -6.877 275 HA ASP 36 HA ASP 36 12.968 -1.880 -7.610 276 HB2 ASP 36 1HB ASP 36 13.037 -0.132 -5.184 277 HB3 ASP 36 2HB ASP 36 11.608 -1.128 -5.449 278 H VAL 37 H VAL 37 11.295 -1.834 -8.911 279 HA VAL 37 HA VAL 37 9.920 0.696 -9.359 280 HB VAL 37 HB VAL 37 9.257 -1.723 -10.964 281 HG11 VAL 37 1HG1 VAL 37 9.332 -0.136 -12.766 282 HG12 VAL 37 2HG1 VAL 37 10.130 1.063 -11.747 283 HG13 VAL 37 3HG1 VAL 37 8.454 0.611 -11.429 284 HG21 VAL 37 3HG2 VAL 37 11.467 -2.266 -11.136 285 HG22 VAL 37 1HG2 VAL 37 12.008 -0.705 -10.530 286 HG23 VAL 37 2HG2 VAL 37 11.527 -0.872 -12.212 287 H TRP 38 H TRP 38 8.234 1.112 -8.171 288 HA TRP 38 HA TRP 38 6.546 -1.083 -7.182 289 HB2 TRP 38 1HB TRP 38 7.009 1.752 -6.287 290 HB3 TRP 38 2HB TRP 38 5.574 0.867 -5.783 291 HD1 TRP 38 HD1 TRP 38 9.315 -0.213 -6.033 292 HE1 TRP 38 HE1 TRP 38 9.918 -1.317 -3.769 293 HE3 TRP 38 HE3 TRP 38 4.900 0.375 -3.617 294 HZ2 TRP 38 HZ2 TRP 38 8.641 -1.870 -1.246 295 HZ3 TRP 38 HZ3 TRP 38 4.595 -0.417 -1.326 296 HH2 TRP 38 HH2 TRP 38 6.447 -1.546 -0.107 297 H LEU 39 H LEU 39 4.254 -0.838 -7.254 298 HA LEU 39 HA LEU 39 3.296 0.665 -9.621 299 HB2 LEU 39 1HB LEU 39 3.102 -1.987 -9.185 300 HB3 LEU 39 2HB LEU 39 1.632 -1.459 -8.403 301 HG LEU 39 HG LEU 39 2.429 -1.166 -11.291 302 HD11 LEU 39 1HD1 LEU 39 1.259 -3.157 -10.927 303 HD12 LEU 39 2HD1 LEU 39 -0.028 -2.045 -11.375 304 HD13 LEU 39 3HD1 LEU 39 0.241 -2.445 -9.682 305 HD21 LEU 39 3HD2 LEU 39 0.456 0.407 -9.676 306 HD22 LEU 39 1HD2 LEU 39 0.111 0.035 -11.361 307 HD23 LEU 39 2HD2 LEU 39 1.547 0.965 -10.944 308 H ALA 40 H ALA 40 1.759 2.154 -9.346 309 HA ALA 40 HA ALA 40 0.799 2.664 -6.609 310 HB1 ALA 40 1HB ALA 40 -0.098 4.551 -8.624 311 HB2 ALA 40 2HB ALA 40 1.657 4.354 -8.679 312 HB3 ALA 40 3HB ALA 40 0.871 4.837 -7.177 313 H ASP 41 H ASP 41 -0.184 2.051 -9.902 314 HA ASP 41 HA ASP 41 -3.014 1.931 -9.315 315 HB2 ASP 41 1HB ASP 41 -1.859 2.467 -11.598 316 HB3 ASP 41 2HB ASP 41 -1.690 0.731 -11.739 317 H GLU 42 H GLU 42 -2.317 0.393 -7.432 318 HA GLU 42 HA GLU 42 -1.345 -2.126 -7.741 319 HB2 GLU 42 1HB GLU 42 -3.459 -1.027 -5.921 320 HB3 GLU 42 2HB GLU 42 -2.986 -2.733 -5.842 321 HG2 GLU 42 1HG GLU 42 -0.915 -2.265 -5.053 322 HG3 GLU 42 2HG GLU 42 -0.741 -0.819 -6.039 323 H SER 43 H SER 43 -4.403 -0.959 -8.852 324 HA SER 43 HA SER 43 -5.756 -3.395 -9.257 325 HB2 SER 43 1HB SER 43 -5.964 -1.440 -11.429 326 HB3 SER 43 2HB SER 43 -7.216 -2.068 -10.358 327 HG SER 43 HG SER 43 -5.582 0.178 -10.136 328 H GLN 44 H GLN 44 -3.245 -1.695 -10.934 329 HA GLN 44 HA GLN 44 -3.063 -3.498 -13.167 330 HB2 GLN 44 1HB GLN 44 -1.816 -0.968 -12.263 331 HB3 GLN 44 2HB GLN 44 -1.003 -1.929 -13.463 332 HG2 GLN 44 1HG GLN 44 -2.710 -0.078 -14.170 333 HG3 GLN 44 2HG GLN 44 -2.636 -1.596 -15.041 334 HE21 GLN 44 2HE2 GLN 44 -4.693 0.520 -13.359 335 HE22 GLN 44 1HE2 GLN 44 -6.029 -0.519 -13.219 336 H ALA 45 H ALA 45 -2.016 -3.561 -10.010 337 HA ALA 45 HA ALA 45 0.569 -4.230 -9.738 338 HB1 ALA 45 1HB ALA 45 -1.831 -5.774 -8.829 339 HB2 ALA 45 2HB ALA 45 -0.934 -4.547 -7.931 340 HB3 ALA 45 3HB ALA 45 -0.195 -6.113 -8.270 341 H GLU 46 H GLU 46 -1.767 -6.682 -10.513 342 HA GLU 46 HA GLU 46 -0.034 -8.685 -11.402 343 HB2 GLU 46 1HB GLU 46 -2.088 -9.576 -12.469 344 HB3 GLU 46 2HB GLU 46 -2.385 -9.036 -10.814 345 HG2 GLU 46 1HG GLU 46 -2.971 -6.737 -11.925 346 HG3 GLU 46 2HG GLU 46 -3.152 -7.681 -13.402 347 H ARG 47 H ARG 47 -1.783 -6.173 -13.107 348 HA ARG 47 HA ARG 47 -1.174 -6.759 -15.740 349 HB2 ARG 47 1HB ARG 47 -2.588 -4.826 -14.561 350 HB3 ARG 47 2HB ARG 47 -1.112 -3.919 -14.863 351 HG2 ARG 47 1HG ARG 47 -1.816 -5.454 -17.199 352 HG3 ARG 47 2HG ARG 47 -3.174 -4.441 -16.689 353 HD2 ARG 47 1HD ARG 47 -1.814 -2.477 -16.697 354 HD3 ARG 47 2HD ARG 47 -0.340 -3.421 -16.879 355 HE ARG 47 HE ARG 47 -0.691 -3.349 -19.149 356 HH11 ARG 47 1HH2 ARG 47 -3.717 -2.874 -17.488 357 HH12 ARG 47 2HH2 ARG 47 -4.663 -2.844 -18.936 358 HH21 ARG 47 1HH1 ARG 47 -1.954 -3.359 -21.034 359 HH22 ARG 47 2HH1 ARG 47 -3.663 -3.114 -20.944 360 H VAL 48 H VAL 48 0.301 -4.314 -13.832 361 HA VAL 48 HA VAL 48 2.547 -3.775 -15.325 362 HB VAL 48 HB VAL 48 1.969 -3.706 -12.385 363 HG11 VAL 48 1HG1 VAL 48 4.287 -3.612 -12.460 364 HG12 VAL 48 2HG1 VAL 48 3.813 -1.914 -12.528 365 HG13 VAL 48 3HG1 VAL 48 4.295 -2.760 -14.001 366 HG21 VAL 48 3HG2 VAL 48 0.834 -2.410 -14.485 367 HG22 VAL 48 1HG2 VAL 48 2.128 -1.299 -14.062 368 HG23 VAL 48 2HG2 VAL 48 0.926 -1.745 -12.862 369 H ARG 49 H ARG 49 2.283 -5.871 -12.499 370 HA ARG 49 HA ARG 49 4.856 -6.910 -12.551 371 HB2 ARG 49 1HB ARG 49 2.959 -7.271 -10.812 372 HB3 ARG 49 2HB ARG 49 2.496 -8.640 -11.824 373 HG2 ARG 49 1HG ARG 49 4.827 -9.510 -11.647 374 HG3 ARG 49 2HG ARG 49 5.207 -8.182 -10.552 375 HD2 ARG 49 1HD ARG 49 4.044 -9.083 -8.818 376 HD3 ARG 49 2HD ARG 49 2.792 -9.747 -9.865 377 HE ARG 49 HE ARG 49 5.049 -11.151 -8.864 378 HH11 ARG 49 1HH2 ARG 49 3.156 -10.723 -11.757 379 HH12 ARG 49 2HH2 ARG 49 3.497 -12.304 -12.374 380 HH21 ARG 49 1HH1 ARG 49 5.493 -13.210 -9.675 381 HH22 ARG 49 2HH1 ARG 49 4.816 -13.718 -11.184 382 H ALA 50 H ALA 50 2.023 -7.713 -14.429 383 HA ALA 50 HA ALA 50 3.196 -10.046 -15.680 384 HB1 ALA 50 1HB ALA 50 0.757 -9.876 -15.436 385 HB2 ALA 50 2HB ALA 50 1.203 -9.940 -17.140 386 HB3 ALA 50 3HB ALA 50 0.753 -8.405 -16.403 387 H GLU 51 H GLU 51 2.455 -6.695 -16.558 388 HA GLU 51 HA GLU 51 3.324 -6.523 -19.160 389 HB2 GLU 51 1HB GLU 51 3.888 -4.613 -16.877 390 HB3 GLU 51 2HB GLU 51 4.159 -4.233 -18.572 391 HG2 GLU 51 1HG GLU 51 1.518 -5.267 -18.392 392 HG3 GLU 51 2HG GLU 51 1.695 -4.119 -17.072 393 H LEU 52 H LEU 52 5.327 -6.079 -16.302 394 HA LEU 52 HA LEU 52 7.772 -5.844 -17.326 395 HB2 LEU 52 1HB LEU 52 6.922 -7.508 -14.998 396 HB3 LEU 52 2HB LEU 52 8.617 -7.156 -15.377 397 HG LEU 52 HG LEU 52 6.423 -5.129 -14.892 398 HD11 LEU 52 1HD1 LEU 52 8.052 -4.487 -13.073 399 HD12 LEU 52 2HD1 LEU 52 8.876 -6.013 -13.399 400 HD13 LEU 52 3HD1 LEU 52 7.205 -6.018 -12.843 401 HD21 LEU 52 3HD2 LEU 52 8.458 -3.554 -15.055 402 HD22 LEU 52 1HD2 LEU 52 7.820 -4.180 -16.571 403 HD23 LEU 52 2HD2 LEU 52 9.273 -4.884 -15.865 404 H ALA 53 H ALA 53 7.010 -9.163 -16.315 405 HA ALA 53 HA ALA 53 8.929 -10.444 -17.733 406 HB1 ALA 53 1HB ALA 53 6.116 -11.517 -17.775 407 HB2 ALA 53 2HB ALA 53 7.102 -11.500 -16.309 408 HB3 ALA 53 3HB ALA 53 7.635 -12.413 -17.722 409 H ARG 54 H ARG 54 6.259 -8.733 -19.081 410 HA ARG 54 HA ARG 54 6.762 -9.872 -21.769 411 HB2 ARG 54 1HB ARG 54 4.724 -7.798 -20.925 412 HB3 ARG 54 2HB ARG 54 4.834 -8.591 -22.493 413 HG2 ARG 54 1HG ARG 54 4.104 -10.653 -21.658 414 HG3 ARG 54 2HG ARG 54 4.579 -10.262 -20.008 415 HD2 ARG 54 1HD ARG 54 2.552 -9.423 -19.548 416 HD3 ARG 54 2HD ARG 54 2.628 -8.343 -20.935 417 HE ARG 54 HE ARG 54 1.040 -10.656 -20.766 418 HH11 ARG 54 1HH2 ARG 54 3.345 -9.195 -22.887 419 HH12 ARG 54 2HH2 ARG 54 2.633 -9.812 -24.341 420 HH21 ARG 54 1HH1 ARG 54 0.090 -11.484 -22.657 421 HH22 ARG 54 2HH1 ARG 54 0.761 -11.088 -24.209 422 H PHE 55 H PHE 55 6.764 -6.927 -19.948 423 HA PHE 55 HA PHE 55 7.729 -5.077 -21.780 424 HB2 PHE 55 1HB PHE 55 6.927 -4.085 -19.940 425 HB3 PHE 55 2HB PHE 55 7.435 -5.398 -18.912 426 HD1 PHE 55 HD1 PHE 55 8.537 -2.384 -20.684 427 HD2 PHE 55 HD2 PHE 55 9.462 -5.352 -17.749 428 HE1 PHE 55 HE1 PHE 55 10.494 -1.040 -19.934 429 HE2 PHE 55 HE2 PHE 55 11.410 -4.030 -16.986 430 HZ PHE 55 HZ PHE 55 11.943 -1.867 -18.102 431 H LEU 56 H LEU 56 9.204 -7.566 -20.010 432 HA LEU 56 HA LEU 56 11.901 -6.569 -20.278 433 HB2 LEU 56 1HB LEU 56 10.873 -9.260 -19.364 434 HB3 LEU 56 2HB LEU 56 12.463 -8.556 -19.035 435 HG LEU 56 HG LEU 56 9.944 -7.104 -18.345 436 HD11 LEU 56 1HD1 LEU 56 10.625 -9.534 -17.245 437 HD12 LEU 56 2HD1 LEU 56 9.545 -8.333 -16.547 438 HD13 LEU 56 3HD1 LEU 56 11.244 -8.351 -16.096 439 HD21 LEU 56 3HD2 LEU 56 11.868 -5.742 -18.436 440 HD22 LEU 56 1HD2 LEU 56 12.811 -6.906 -17.505 441 HD23 LEU 56 2HD2 LEU 56 11.497 -6.014 -16.734 442 H GLU 57 H GLU 57 10.170 -9.460 -21.497 443 HA GLU 57 HA GLU 57 12.271 -9.958 -23.422 444 HB2 GLU 57 1HB GLU 57 9.698 -11.214 -24.022 445 HB3 GLU 57 2HB GLU 57 11.270 -11.956 -23.760 446 HG2 GLU 57 1HG GLU 57 10.587 -11.130 -21.212 447 HG3 GLU 57 2HG GLU 57 9.032 -11.590 -21.902 448 H ASN 58 H ASN 58 9.532 -7.954 -23.160 449 HA ASN 58 HA ASN 58 9.875 -7.097 -25.936 450 HB2 ASN 58 1HB ASN 58 7.408 -8.518 -24.970 451 HB3 ASN 58 2HB ASN 58 7.351 -7.390 -26.321 452 HD21 ASN 58 2HD2 ASN 58 7.592 -10.626 -25.716 453 HD22 ASN 58 1HD2 ASN 58 8.480 -11.105 -27.081 454 HA PRO 59 HA PRO 59 8.372 -3.787 -22.956 455 HB2 PRO 59 1HB PRO 59 10.470 -2.063 -23.636 456 HB3 PRO 59 2HB PRO 59 10.425 -3.066 -22.178 457 HG2 PRO 59 1HG PRO 59 11.885 -3.479 -24.710 458 HG3 PRO 59 2HG PRO 59 12.301 -3.988 -23.066 459 HD2 PRO 59 1HD PRO 59 11.338 -5.694 -24.984 460 HD3 PRO 59 2HD PRO 59 11.133 -5.962 -23.244 461 H ALA 60 H ALA 60 8.483 -1.258 -23.888 462 HA ALA 60 HA ALA 60 7.864 0.169 -25.600 463 HB1 ALA 60 1HB ALA 60 8.744 -0.257 -27.669 464 HB2 ALA 60 2HB ALA 60 8.082 -1.893 -27.721 465 HB3 ALA 60 3HB ALA 60 9.564 -1.567 -26.821 466 H ASP 61 H ASP 61 6.707 -3.163 -25.966 467 HA ASP 61 HA ASP 61 4.022 -2.097 -26.600 468 HB2 ASP 61 1HB ASP 61 5.391 -4.674 -27.360 469 HB3 ASP 61 2HB ASP 61 3.655 -4.434 -27.530 470 H LEU 62 H LEU 62 2.295 -3.864 -25.985 471 HA LEU 62 HA LEU 62 2.721 -4.434 -23.124 472 HB2 LEU 62 1HB LEU 62 0.586 -3.261 -24.532 473 HB3 LEU 62 2HB LEU 62 0.014 -4.850 -24.027 474 HG LEU 62 HG LEU 62 1.486 -3.082 -22.084 475 HD11 LEU 62 1HD1 LEU 62 -1.492 -3.017 -22.670 476 HD12 LEU 62 2HD1 LEU 62 -0.349 -1.725 -23.032 477 HD13 LEU 62 3HD1 LEU 62 -0.677 -2.164 -21.356 478 HD21 LEU 62 3HD2 LEU 62 1.089 -5.430 -21.468 479 HD22 LEU 62 1HD2 LEU 62 -0.631 -5.246 -21.808 480 HD23 LEU 62 2HD2 LEU 62 0.101 -4.371 -20.462 481 H ASP 63 H ASP 63 2.101 -5.952 -26.200 482 HA ASP 63 HA ASP 63 1.621 -8.524 -24.858 483 HB2 ASP 63 1HB ASP 63 0.228 -7.450 -26.890 484 HB3 ASP 63 2HB ASP 63 1.441 -8.338 -27.810 Start of MODEL 11 1 H1 MET 1 H MET 1 0.064 0.669 -1.246 2 HA MET 1 HA MET 1 0.634 1.317 -4.083 3 HB2 MET 1 1HB MET 1 2.003 1.952 -1.533 4 HB3 MET 1 2HB MET 1 3.040 1.255 -2.776 5 HG2 MET 1 1HG MET 1 1.939 2.996 -4.366 6 HG3 MET 1 2HG MET 1 1.431 3.805 -2.883 7 HE1 MET 1 3HE MET 1 4.475 3.710 -5.442 8 HE2 MET 1 1HE MET 1 4.072 2.124 -4.779 9 HE3 MET 1 2HE MET 1 5.616 2.878 -4.388 10 H LEU 2 H LEU 2 2.296 -0.160 -4.958 11 HA LEU 2 HA LEU 2 2.308 -2.796 -3.628 12 HB2 LEU 2 1HB LEU 2 0.636 -2.278 -5.657 13 HB3 LEU 2 2HB LEU 2 2.060 -2.752 -6.559 14 HG LEU 2 HG LEU 2 2.006 -4.629 -4.578 15 HD11 LEU 2 1HD1 LEU 2 -0.264 -5.381 -4.348 16 HD12 LEU 2 2HD1 LEU 2 -0.833 -4.188 -5.518 17 HD13 LEU 2 3HD1 LEU 2 -0.239 -3.664 -3.940 18 HD21 LEU 2 3HD2 LEU 2 1.062 -4.467 -7.424 19 HD22 LEU 2 1HD2 LEU 2 0.875 -5.975 -6.527 20 HD23 LEU 2 2HD2 LEU 2 2.481 -5.283 -6.765 21 H MET 3 H MET 3 3.993 -4.160 -4.170 22 HA MET 3 HA MET 3 6.324 -2.820 -5.345 23 HB2 MET 3 1HB MET 3 6.201 -4.183 -3.018 24 HB3 MET 3 2HB MET 3 6.572 -5.516 -4.108 25 HG2 MET 3 1HG MET 3 8.200 -3.123 -4.616 26 HG3 MET 3 2HG MET 3 8.433 -3.804 -3.006 27 HE1 MET 3 3HE MET 3 10.882 -4.913 -6.260 28 HE2 MET 3 1HE MET 3 10.445 -3.462 -5.350 29 HE3 MET 3 2HE MET 3 9.428 -4.010 -6.682 30 H ILE 4 H ILE 4 6.582 -3.218 -7.479 31 HA ILE 4 HA ILE 4 5.391 -5.657 -8.595 32 HB ILE 4 HB ILE 4 6.381 -3.087 -9.833 33 HG12 ILE 4 1HG1 ILE 4 4.131 -3.158 -8.733 34 HG13 ILE 4 2HG1 ILE 4 4.063 -2.819 -10.460 35 HG21 ILE 4 1HG2 ILE 4 5.048 -5.173 -11.512 36 HG22 ILE 4 2HG2 ILE 4 6.749 -5.419 -11.133 37 HG23 ILE 4 3HG2 ILE 4 6.239 -3.956 -11.962 38 HD11 ILE 4 3HD1 ILE 4 3.739 -5.372 -10.744 39 HD12 ILE 4 1HD1 ILE 4 2.377 -4.439 -10.134 40 HD13 ILE 4 2HD1 ILE 4 3.368 -5.378 -9.022 41 H THR 5 H THR 5 8.390 -3.817 -9.183 42 HA THR 5 HA THR 5 9.926 -6.297 -9.192 43 HB THR 5 HB THR 5 8.853 -6.095 -11.511 44 HG1 THR 5 HG1 THR 5 10.788 -7.204 -11.338 45 HG21 THR 5 3HG2 THR 5 8.965 -4.165 -12.658 46 HG22 THR 5 1HG2 THR 5 10.698 -4.017 -12.370 47 HG23 THR 5 2HG2 THR 5 9.548 -3.416 -11.175 48 H SER 6 H SER 6 12.043 -5.394 -10.609 49 HA SER 6 HA SER 6 12.882 -2.837 -9.496 50 HB2 SER 6 1HB SER 6 15.119 -4.168 -8.979 51 HB3 SER 6 2HB SER 6 13.852 -3.946 -7.779 52 HG SER 6 HG SER 6 14.333 -6.111 -7.824 53 H PHE 7 H PHE 7 14.263 -1.817 -10.822 54 HA PHE 7 HA PHE 7 14.845 -3.216 -13.349 55 HB2 PHE 7 1HB PHE 7 14.327 -0.349 -12.636 56 HB3 PHE 7 2HB PHE 7 14.953 -0.842 -14.210 57 HD1 PHE 7 HD2 PHE 7 13.589 -3.369 -14.724 58 HD2 PHE 7 HD1 PHE 7 12.048 0.215 -12.952 59 HE1 PHE 7 HE2 PHE 7 11.311 -4.006 -15.416 60 HE2 PHE 7 HE1 PHE 7 9.782 -0.420 -13.688 61 HZ PHE 7 HZ PHE 7 9.402 -2.518 -14.920 62 H ALA 8 H ALA 8 16.825 -3.359 -14.149 63 HA ALA 8 HA ALA 8 19.096 -3.178 -12.571 64 HB1 ALA 8 1HB ALA 8 20.232 -2.861 -14.955 65 HB2 ALA 8 2HB ALA 8 18.608 -3.254 -15.524 66 HB3 ALA 8 3HB ALA 8 19.483 -4.393 -14.499 67 H ASN 9 H ASN 9 17.343 -0.733 -14.285 68 HA ASN 9 HA ASN 9 19.214 1.266 -13.272 69 HB2 ASN 9 1HB ASN 9 18.429 0.865 -16.106 70 HB3 ASN 9 2HB ASN 9 18.682 2.502 -15.523 71 HD21 ASN 9 2HD2 ASN 9 20.289 -0.188 -16.808 72 HD22 ASN 9 1HD2 ASN 9 21.869 0.231 -16.351 73 HA PRO 10 HA PRO 10 15.541 3.393 -12.069 74 HB2 PRO 10 1HB PRO 10 16.521 5.931 -11.915 75 HB3 PRO 10 2HB PRO 10 16.954 4.676 -10.732 76 HG2 PRO 10 1HG PRO 10 18.459 5.595 -13.139 77 HG3 PRO 10 2HG PRO 10 19.050 5.309 -11.494 78 HD2 PRO 10 1HD PRO 10 19.411 3.489 -13.451 79 HD3 PRO 10 2HD PRO 10 19.095 2.993 -11.770 80 H ARG 11 H ARG 11 17.539 4.850 -14.639 81 HA ARG 11 HA ARG 11 15.469 6.365 -15.854 82 HB2 ARG 11 1HB ARG 11 17.399 5.259 -17.761 83 HB3 ARG 11 2HB ARG 11 17.073 6.941 -17.360 84 HG2 ARG 11 1HG ARG 11 18.368 6.360 -15.146 85 HG3 ARG 11 2HG ARG 11 19.033 5.040 -16.112 86 HD2 ARG 11 1HD ARG 11 19.159 7.237 -17.813 87 HD3 ARG 11 2HD ARG 11 19.591 7.911 -16.248 88 HE ARG 11 HE ARG 11 21.245 6.272 -17.861 89 HH11 ARG 11 1HH2 ARG 11 20.246 6.700 -14.564 90 HH12 ARG 11 2HH2 ARG 11 21.718 6.074 -13.896 91 HH21 ARG 11 1HH1 ARG 11 23.186 5.484 -16.981 92 HH22 ARG 11 2HH1 ARG 11 23.385 5.400 -15.259 93 H VAL 12 H VAL 12 16.700 3.114 -16.177 94 HA VAL 12 HA VAL 12 15.063 2.075 -18.223 95 HB VAL 12 HB VAL 12 16.559 1.018 -15.855 96 HG11 VAL 12 1HG1 VAL 12 14.340 -0.164 -15.825 97 HG12 VAL 12 2HG1 VAL 12 15.735 -1.217 -16.076 98 HG13 VAL 12 3HG1 VAL 12 14.714 -0.765 -17.437 99 HG21 VAL 12 3HG2 VAL 12 17.632 -0.374 -17.551 100 HG22 VAL 12 1HG2 VAL 12 17.661 1.324 -18.033 101 HG23 VAL 12 2HG2 VAL 12 16.499 0.216 -18.768 102 H ALA 13 H ALA 13 14.788 2.274 -14.761 103 HA ALA 13 HA ALA 13 12.269 1.144 -14.415 104 HB1 ALA 13 1HB ALA 13 14.108 1.809 -12.697 105 HB2 ALA 13 2HB ALA 13 12.420 1.950 -12.214 106 HB3 ALA 13 3HB ALA 13 13.315 3.383 -12.706 107 H GLN 14 H GLN 14 13.097 4.603 -14.392 108 HA GLN 14 HA GLN 14 10.464 5.504 -14.403 109 HB2 GLN 14 1HB GLN 14 12.889 6.789 -15.664 110 HB3 GLN 14 2HB GLN 14 11.367 7.607 -15.297 111 HG2 GLN 14 1HG GLN 14 11.710 7.518 -13.003 112 HG3 GLN 14 2HG GLN 14 12.745 6.097 -13.101 113 HE21 GLN 14 2HE2 GLN 14 14.990 6.423 -13.425 114 HE22 GLN 14 1HE2 GLN 14 15.705 7.961 -13.462 115 H ALA 15 H ALA 15 12.627 4.708 -17.118 116 HA ALA 15 HA ALA 15 10.990 5.411 -19.260 117 HB1 ALA 15 1HB ALA 15 13.021 3.226 -18.899 118 HB2 ALA 15 2HB ALA 15 13.141 4.703 -19.854 119 HB3 ALA 15 3HB ALA 15 12.117 3.378 -20.403 120 H PHE 16 H PHE 16 10.770 2.731 -17.051 121 HA PHE 16 HA PHE 16 8.764 1.315 -18.619 122 HB2 PHE 16 1HB PHE 16 10.321 0.003 -17.271 123 HB3 PHE 16 2HB PHE 16 9.802 0.843 -15.814 124 HD1 PHE 16 HD1 PHE 16 8.236 -0.920 -18.715 125 HD2 PHE 16 HD2 PHE 16 8.186 -0.220 -14.487 126 HE1 PHE 16 HE1 PHE 16 6.486 -2.657 -18.450 127 HE2 PHE 16 HE2 PHE 16 6.437 -1.955 -14.218 128 HZ PHE 16 HZ PHE 16 5.577 -3.166 -16.205 129 H VAL 17 H VAL 17 8.853 2.607 -15.306 130 HA VAL 17 HA VAL 17 6.112 2.490 -14.857 131 HB VAL 17 HB VAL 17 6.486 3.943 -13.005 132 HG11 VAL 17 1HG1 VAL 17 7.746 1.659 -13.227 133 HG12 VAL 17 2HG1 VAL 17 8.198 2.757 -11.922 134 HG13 VAL 17 3HG1 VAL 17 9.187 2.665 -13.379 135 HG21 VAL 17 3HG2 VAL 17 8.767 4.900 -14.685 136 HG22 VAL 17 1HG2 VAL 17 8.825 5.099 -12.936 137 HG23 VAL 17 2HG2 VAL 17 7.525 5.842 -13.868 138 H ASP 18 H ASP 18 8.062 5.113 -16.321 139 HA ASP 18 HA ASP 18 5.855 6.887 -16.541 140 HB2 ASP 18 1HB ASP 18 7.325 8.311 -17.497 141 HB3 ASP 18 2HB ASP 18 8.550 7.120 -17.096 142 H TYR 19 H TYR 19 7.170 4.280 -18.459 143 HA TYR 19 HA TYR 19 5.462 4.546 -20.722 144 HB2 TYR 19 1HB TYR 19 7.068 3.001 -21.293 145 HB3 TYR 19 2HB TYR 19 7.279 2.463 -19.627 146 HD1 TYR 19 HD1 TYR 19 4.737 2.469 -22.339 147 HD2 TYR 19 HD2 TYR 19 6.418 0.365 -18.999 148 HE1 TYR 19 HE1 TYR 19 3.201 0.592 -22.767 149 HE2 TYR 19 HE2 TYR 19 4.882 -1.535 -19.433 150 HH TYR 19 HH TYR 19 3.232 -2.336 -20.714 151 H MET 20 H MET 20 5.396 2.394 -17.894 152 HA MET 20 HA MET 20 2.864 1.288 -18.203 153 HB2 MET 20 1HB MET 20 4.304 2.071 -15.663 154 HB3 MET 20 2HB MET 20 2.899 1.019 -15.727 155 HG2 MET 20 1HG MET 20 4.633 -0.052 -17.628 156 HG3 MET 20 2HG MET 20 5.684 0.392 -16.285 157 HE1 MET 20 3HE MET 20 2.000 -2.314 -16.107 158 HE2 MET 20 1HE MET 20 2.543 -1.300 -17.446 159 HE3 MET 20 2HE MET 20 1.858 -0.568 -16.009 160 H ALA 21 H ALA 21 3.917 4.269 -16.665 161 HA ALA 21 HA ALA 21 1.430 5.222 -15.776 162 HB1 ALA 21 1HB ALA 21 3.593 6.163 -15.090 163 HB2 ALA 21 2HB ALA 21 2.542 7.415 -15.757 164 HB3 ALA 21 3HB ALA 21 3.855 6.750 -16.728 165 H THR 22 H THR 22 3.014 5.229 -18.910 166 HA THR 22 HA THR 22 1.241 7.053 -20.188 167 HB THR 22 HB THR 22 3.580 5.577 -20.810 168 HG1 THR 22 HG1 THR 22 3.256 7.699 -21.392 169 HG21 THR 22 3HG2 THR 22 2.092 3.823 -21.714 170 HG22 THR 22 1HG2 THR 22 3.063 4.585 -22.975 171 HG23 THR 22 2HG2 THR 22 1.363 5.016 -22.787 172 H GLN 23 H GLN 23 1.385 3.629 -19.502 173 HA GLN 23 HA GLN 23 -0.998 2.901 -20.957 174 HB2 GLN 23 1HB GLN 23 0.438 1.487 -18.711 175 HB3 GLN 23 2HB GLN 23 -0.826 0.794 -19.721 176 HG2 GLN 23 1HG GLN 23 1.538 1.968 -21.119 177 HG3 GLN 23 2HG GLN 23 1.786 0.454 -20.255 178 HE21 GLN 23 2HE2 GLN 23 1.844 -1.040 -21.959 179 HE22 GLN 23 1HE2 GLN 23 0.591 -1.223 -23.097 180 H GLY 24 H GLY 24 -0.491 4.891 -18.484 181 HA2 GLY 24 1HA GLY 24 -1.936 5.895 -17.003 182 HA3 GLY 24 2HA GLY 24 -3.175 4.719 -17.451 183 H VAL 25 H VAL 25 -0.280 3.254 -16.873 184 HA VAL 25 HA VAL 25 -1.136 2.245 -14.243 185 HB VAL 25 HB VAL 25 1.109 1.278 -16.003 186 HG11 VAL 25 1HG1 VAL 25 1.309 0.243 -13.962 187 HG12 VAL 25 2HG1 VAL 25 0.220 -0.870 -14.789 188 HG13 VAL 25 3HG1 VAL 25 -0.421 0.301 -13.643 189 HG21 VAL 25 3HG2 VAL 25 -1.016 1.327 -17.303 190 HG22 VAL 25 1HG2 VAL 25 -1.786 0.368 -16.042 191 HG23 VAL 25 2HG2 VAL 25 -0.470 -0.320 -16.991 192 H ILE 26 H ILE 26 -0.489 3.508 -12.714 193 HA ILE 26 HA ILE 26 1.938 5.002 -12.912 194 HB ILE 26 HB ILE 26 0.315 4.692 -10.415 195 HG12 ILE 26 1HG1 ILE 26 -0.832 6.826 -11.535 196 HG13 ILE 26 2HG1 ILE 26 -0.417 5.978 -13.023 197 HG21 ILE 26 1HG2 ILE 26 1.854 6.947 -11.707 198 HG22 ILE 26 2HG2 ILE 26 2.439 5.931 -10.391 199 HG23 ILE 26 3HG2 ILE 26 1.067 7.008 -10.132 200 HD11 ILE 26 3HD1 ILE 26 -1.929 4.305 -12.649 201 HD12 ILE 26 1HD1 ILE 26 -2.712 5.513 -11.634 202 HD13 ILE 26 2HD1 ILE 26 -1.655 4.308 -10.904 203 H LEU 27 H LEU 27 3.795 4.004 -12.710 204 HA LEU 27 HA LEU 27 4.170 2.190 -10.416 205 HB2 LEU 27 1HB LEU 27 5.510 2.354 -13.063 206 HB3 LEU 27 2HB LEU 27 6.497 1.940 -11.669 207 HG LEU 27 HG LEU 27 4.202 0.411 -11.351 208 HD11 LEU 27 1HD1 LEU 27 3.913 1.187 -13.831 209 HD12 LEU 27 2HD1 LEU 27 3.680 -0.512 -13.440 210 HD13 LEU 27 3HD1 LEU 27 5.196 0.026 -14.160 211 HD21 LEU 27 3HD2 LEU 27 5.735 -1.395 -11.544 212 HD22 LEU 27 1HD2 LEU 27 6.742 -0.040 -11.034 213 HD23 LEU 27 2HD2 LEU 27 6.724 -0.536 -12.725 214 H THR 28 H THR 28 6.910 2.611 -10.172 215 HA THR 28 HA THR 28 7.786 5.234 -10.273 216 HB THR 28 HB THR 28 6.498 4.519 -7.625 217 HG1 THR 28 HG1 THR 28 5.366 5.662 -9.431 218 HG21 THR 28 3HG2 THR 28 7.491 6.874 -7.050 219 HG22 THR 28 1HG2 THR 28 8.660 6.483 -8.306 220 HG23 THR 28 2HG2 THR 28 8.507 5.444 -6.890 221 H ILE 29 H ILE 29 9.862 5.454 -9.155 222 HA ILE 29 HA ILE 29 11.074 2.821 -8.755 223 HB ILE 29 HB ILE 29 12.833 5.189 -8.771 224 HG12 ILE 29 1HG1 ILE 29 11.090 5.908 -10.399 225 HG13 ILE 29 2HG1 ILE 29 12.617 5.553 -11.200 226 HG21 ILE 29 1HG2 ILE 29 13.877 3.642 -10.584 227 HG22 ILE 29 2HG2 ILE 29 12.702 2.453 -10.023 228 HG23 ILE 29 3HG2 ILE 29 13.903 3.102 -8.907 229 HD11 ILE 29 3HD1 ILE 29 10.030 4.219 -11.482 230 HD12 ILE 29 1HD1 ILE 29 11.349 3.092 -11.181 231 HD13 ILE 29 2HD1 ILE 29 11.427 4.195 -12.552 232 H GLN 30 H GLN 30 11.768 2.148 -6.832 233 HA GLN 30 HA GLN 30 11.574 4.023 -4.569 234 HB2 GLN 30 1HB GLN 30 11.372 1.079 -4.900 235 HB3 GLN 30 2HB GLN 30 12.205 1.620 -3.451 236 HG2 GLN 30 1HG GLN 30 9.486 2.631 -4.296 237 HG3 GLN 30 2HG GLN 30 9.737 1.318 -3.148 238 HE21 GLN 30 2HE2 GLN 30 8.557 4.036 -2.617 239 HE22 GLN 30 1HE2 GLN 30 9.534 4.707 -1.401 240 H GLN 31 H GLN 31 13.415 5.194 -4.527 241 HA GLN 31 HA GLN 31 15.855 4.495 -5.606 242 HB2 GLN 31 1HB GLN 31 15.011 6.787 -4.709 243 HB3 GLN 31 2HB GLN 31 15.755 6.276 -3.193 244 HG2 GLN 31 1HG GLN 31 17.906 6.096 -4.174 245 HG3 GLN 31 2HG GLN 31 17.254 6.131 -5.813 246 HE21 GLN 31 2HE2 GLN 31 16.590 8.307 -3.017 247 HE22 GLN 31 1HE2 GLN 31 17.057 9.722 -3.828 248 H HIS 32 H HIS 32 17.587 3.487 -5.035 249 HA HIS 32 HA HIS 32 18.669 2.926 -2.567 250 HB2 HIS 32 1HB HIS 32 16.407 1.204 -3.134 251 HB3 HIS 32 2HB HIS 32 17.886 0.258 -3.026 252 HD1 HIS 32 HD1 HIS 32 16.174 3.049 -1.070 253 HD2 HIS 32 HD2 HIS 32 18.562 -0.312 -0.411 254 HE1 HIS 32 HE1 HIS 32 16.416 2.811 1.449 255 H ASN 33 H ASN 33 19.896 0.493 -2.959 256 HA ASN 33 HA ASN 33 21.701 1.078 -5.072 257 HB2 ASN 33 1HB ASN 33 22.423 -0.232 -3.137 258 HB3 ASN 33 2HB ASN 33 21.283 -1.513 -3.550 259 HD21 ASN 33 2HD2 ASN 33 22.367 -3.223 -4.538 260 HD22 ASN 33 1HD2 ASN 33 23.666 -3.054 -5.617 261 H GLN 34 H GLN 34 18.611 -0.188 -5.113 262 HA GLN 34 HA GLN 34 18.992 -1.190 -7.853 263 HB2 GLN 34 1HB GLN 34 16.952 -2.551 -6.169 264 HB3 GLN 34 2HB GLN 34 17.948 -3.199 -7.472 265 HG2 GLN 34 1HG GLN 34 18.975 -4.225 -5.673 266 HG3 GLN 34 2HG GLN 34 19.909 -2.732 -5.710 267 HE21 GLN 34 2HE2 GLN 34 17.145 -4.318 -4.085 268 HE22 GLN 34 1HE2 GLN 34 17.203 -3.344 -2.697 269 H SER 35 H SER 35 17.351 -0.680 -9.252 270 HA SER 35 HA SER 35 15.542 1.435 -8.476 271 HB2 SER 35 1HB SER 35 15.489 -0.011 -11.096 272 HB3 SER 35 2HB SER 35 15.082 1.665 -10.747 273 HG SER 35 HG SER 35 17.359 1.902 -10.136 274 H ASP 36 H ASP 36 14.520 -0.003 -6.799 275 HA ASP 36 HA ASP 36 12.792 -2.122 -7.590 276 HB2 ASP 36 1HB ASP 36 12.764 -0.239 -5.240 277 HB3 ASP 36 2HB ASP 36 11.496 -1.433 -5.491 278 H VAL 37 H VAL 37 10.951 -2.035 -8.640 279 HA VAL 37 HA VAL 37 9.811 0.621 -9.132 280 HB VAL 37 HB VAL 37 8.866 -1.553 -10.834 281 HG11 VAL 37 1HG1 VAL 37 9.149 1.212 -10.908 282 HG12 VAL 37 2HG1 VAL 37 8.740 0.188 -12.279 283 HG13 VAL 37 3HG1 VAL 37 10.414 0.653 -11.998 284 HG21 VAL 37 3HG2 VAL 37 10.918 -2.041 -11.957 285 HG22 VAL 37 1HG2 VAL 37 11.284 -2.230 -10.256 286 HG23 VAL 37 2HG2 VAL 37 11.785 -0.773 -11.096 287 H TRP 38 H TRP 38 8.143 1.074 -7.984 288 HA TRP 38 HA TRP 38 6.436 -1.071 -6.947 289 HB2 TRP 38 1HB TRP 38 6.965 1.786 -6.166 290 HB3 TRP 38 2HB TRP 38 5.559 0.918 -5.555 291 HD1 TRP 38 HD1 TRP 38 9.308 -0.028 -5.967 292 HE1 TRP 38 HE1 TRP 38 10.049 -1.131 -3.747 293 HE3 TRP 38 HE3 TRP 38 4.975 0.314 -3.405 294 HZ2 TRP 38 HZ2 TRP 38 8.902 -1.754 -1.185 295 HZ3 TRP 38 HZ3 TRP 38 4.792 -0.489 -1.113 296 HH2 TRP 38 HH2 TRP 38 6.743 -1.534 0.036 297 H LEU 39 H LEU 39 4.147 -0.916 -7.078 298 HA LEU 39 HA LEU 39 3.236 0.676 -9.403 299 HB2 LEU 39 1HB LEU 39 2.849 -1.691 -9.746 300 HB3 LEU 39 2HB LEU 39 2.052 -1.830 -8.184 301 HG LEU 39 HG LEU 39 0.337 -0.186 -8.977 302 HD11 LEU 39 1HD1 LEU 39 0.361 -0.164 -11.641 303 HD12 LEU 39 2HD1 LEU 39 2.101 -0.322 -11.396 304 HD13 LEU 39 3HD1 LEU 39 1.233 1.050 -10.718 305 HD21 LEU 39 3HD2 LEU 39 0.698 -2.610 -10.749 306 HD22 LEU 39 1HD2 LEU 39 -0.819 -1.805 -10.370 307 HD23 LEU 39 2HD2 LEU 39 0.059 -2.656 -9.106 308 H ALA 40 H ALA 40 1.638 2.070 -9.193 309 HA ALA 40 HA ALA 40 0.622 2.587 -6.468 310 HB1 ALA 40 1HB ALA 40 1.729 4.263 -8.440 311 HB2 ALA 40 2HB ALA 40 0.984 4.748 -6.918 312 HB3 ALA 40 3HB ALA 40 0.009 4.645 -8.385 313 H ASP 41 H ASP 41 -0.156 1.899 -9.760 314 HA ASP 41 HA ASP 41 -3.039 2.099 -9.332 315 HB2 ASP 41 1HB ASP 41 -1.640 2.581 -11.560 316 HB3 ASP 41 2HB ASP 41 -1.841 0.854 -11.777 317 H GLU 42 H GLU 42 -2.154 0.360 -7.521 318 HA GLU 42 HA GLU 42 -1.473 -2.170 -7.962 319 HB2 GLU 42 1HB GLU 42 -3.585 -1.113 -6.123 320 HB3 GLU 42 2HB GLU 42 -3.068 -2.805 -6.092 321 HG2 GLU 42 1HG GLU 42 -1.153 -2.263 -5.030 322 HG3 GLU 42 2HG GLU 42 -0.752 -1.104 -6.290 323 H SER 43 H SER 43 -4.523 -0.863 -9.028 324 HA SER 43 HA SER 43 -5.910 -3.253 -9.565 325 HB2 SER 43 1HB SER 43 -6.098 -1.327 -11.715 326 HB3 SER 43 2HB SER 43 -7.327 -1.803 -10.545 327 HG SER 43 HG SER 43 -5.444 0.289 -10.477 328 H GLN 44 H GLN 44 -3.302 -1.592 -11.008 329 HA GLN 44 HA GLN 44 -3.087 -3.170 -13.412 330 HB2 GLN 44 1HB GLN 44 -1.463 -0.954 -12.187 331 HB3 GLN 44 2HB GLN 44 -1.093 -1.701 -13.718 332 HG2 GLN 44 1HG GLN 44 -3.602 -0.189 -13.008 333 HG3 GLN 44 2HG GLN 44 -2.349 0.330 -14.128 334 HE21 GLN 44 2HE2 GLN 44 -5.144 0.014 -14.883 335 HE22 GLN 44 1HE2 GLN 44 -5.222 -1.242 -16.027 336 H ALA 45 H ALA 45 -2.091 -3.464 -10.209 337 HA ALA 45 HA ALA 45 0.465 -4.334 -10.068 338 HB1 ALA 45 1HB ALA 45 -1.979 -5.736 -8.997 339 HB2 ALA 45 2HB ALA 45 -1.035 -4.490 -8.179 340 HB3 ALA 45 3HB ALA 45 -0.327 -6.080 -8.483 341 H GLU 46 H GLU 46 -2.163 -6.505 -10.698 342 HA GLU 46 HA GLU 46 -0.856 -8.757 -11.556 343 HB2 GLU 46 1HB GLU 46 -2.971 -9.242 -12.720 344 HB3 GLU 46 2HB GLU 46 -3.282 -8.511 -11.144 345 HG2 GLU 46 1HG GLU 46 -3.424 -6.265 -12.278 346 HG3 GLU 46 2HG GLU 46 -3.308 -7.099 -13.827 347 H ARG 47 H ARG 47 -1.844 -5.924 -13.344 348 HA ARG 47 HA ARG 47 -1.047 -6.711 -15.943 349 HB2 ARG 47 1HB ARG 47 -2.522 -4.689 -15.082 350 HB3 ARG 47 2HB ARG 47 -0.969 -3.869 -15.032 351 HG2 ARG 47 1HG ARG 47 -0.909 -5.101 -17.496 352 HG3 ARG 47 2HG ARG 47 -2.602 -4.607 -17.341 353 HD2 ARG 47 1HD ARG 47 -1.071 -2.503 -16.270 354 HD3 ARG 47 2HD ARG 47 -0.278 -2.970 -17.757 355 HE ARG 47 HE ARG 47 -3.145 -2.228 -17.590 356 HH11 ARG 47 1HH2 ARG 47 -0.067 -2.272 -19.259 357 HH12 ARG 47 2HH2 ARG 47 -0.673 -1.393 -20.625 358 HH21 ARG 47 1HH1 ARG 47 -3.894 -1.043 -19.354 359 HH22 ARG 47 2HH1 ARG 47 -2.838 -0.673 -20.678 360 H VAL 48 H VAL 48 0.318 -4.259 -13.935 361 HA VAL 48 HA VAL 48 2.768 -3.926 -15.133 362 HB VAL 48 HB VAL 48 2.081 -3.829 -12.188 363 HG11 VAL 48 1HG1 VAL 48 4.193 -2.531 -13.911 364 HG12 VAL 48 2HG1 VAL 48 4.442 -3.627 -12.563 365 HG13 VAL 48 3HG1 VAL 48 3.811 -2.014 -12.274 366 HG21 VAL 48 3HG2 VAL 48 1.003 -1.843 -12.600 367 HG22 VAL 48 1HG2 VAL 48 0.692 -2.623 -14.148 368 HG23 VAL 48 2HG2 VAL 48 2.010 -1.474 -13.994 369 H ARG 49 H ARG 49 2.132 -5.896 -12.266 370 HA ARG 49 HA ARG 49 4.578 -7.118 -12.059 371 HB2 ARG 49 1HB ARG 49 2.761 -7.415 -10.419 372 HB3 ARG 49 2HB ARG 49 1.866 -8.391 -11.585 373 HG2 ARG 49 1HG ARG 49 3.402 -10.170 -11.459 374 HG3 ARG 49 2HG ARG 49 4.678 -9.147 -10.798 375 HD2 ARG 49 1HD ARG 49 3.692 -9.062 -8.668 376 HD3 ARG 49 2HD ARG 49 2.114 -9.561 -9.273 377 HE ARG 49 HE ARG 49 4.358 -11.296 -8.589 378 HH11 ARG 49 1HH2 ARG 49 1.359 -10.944 -10.324 379 HH12 ARG 49 2HH2 ARG 49 0.994 -12.636 -10.307 380 HH21 ARG 49 1HH1 ARG 49 3.879 -13.514 -8.580 381 HH22 ARG 49 2HH1 ARG 49 2.418 -14.094 -9.307 382 H ALA 50 H ALA 50 1.944 -7.809 -14.256 383 HA ALA 50 HA ALA 50 3.180 -10.183 -15.380 384 HB1 ALA 50 1HB ALA 50 1.301 -9.928 -17.065 385 HB2 ALA 50 2HB ALA 50 0.762 -8.527 -16.144 386 HB3 ALA 50 3HB ALA 50 0.779 -10.121 -15.394 387 H GLU 51 H GLU 51 2.673 -6.806 -16.226 388 HA GLU 51 HA GLU 51 3.577 -6.647 -18.813 389 HB2 GLU 51 1HB GLU 51 3.993 -4.772 -16.484 390 HB3 GLU 51 2HB GLU 51 4.501 -4.369 -18.116 391 HG2 GLU 51 1HG GLU 51 1.811 -5.377 -18.226 392 HG3 GLU 51 2HG GLU 51 1.887 -4.132 -16.987 393 H LEU 52 H LEU 52 5.647 -6.273 -15.924 394 HA LEU 52 HA LEU 52 8.059 -5.962 -16.965 395 HB2 LEU 52 1HB LEU 52 7.256 -7.843 -14.786 396 HB3 LEU 52 2HB LEU 52 8.937 -7.675 -15.293 397 HG LEU 52 HG LEU 52 8.210 -6.164 -13.391 398 HD11 LEU 52 1HD1 LEU 52 9.098 -4.279 -15.404 399 HD12 LEU 52 2HD1 LEU 52 9.920 -5.826 -15.580 400 HD13 LEU 52 3HD1 LEU 52 10.004 -4.960 -14.054 401 HD21 LEU 52 3HD2 LEU 52 6.045 -5.450 -14.201 402 HD22 LEU 52 1HD2 LEU 52 6.768 -4.801 -15.669 403 HD23 LEU 52 2HD2 LEU 52 7.108 -4.049 -14.117 404 H ALA 53 H ALA 53 7.451 -9.390 -16.266 405 HA ALA 53 HA ALA 53 9.266 -10.511 -17.893 406 HB1 ALA 53 1HB ALA 53 6.604 -11.373 -17.024 407 HB2 ALA 53 2HB ALA 53 8.142 -12.237 -17.002 408 HB3 ALA 53 3HB ALA 53 7.186 -12.176 -18.485 409 H ARG 54 H ARG 54 6.266 -9.044 -19.016 410 HA ARG 54 HA ARG 54 6.767 -9.852 -21.780 411 HB2 ARG 54 1HB ARG 54 4.724 -7.895 -20.717 412 HB3 ARG 54 2HB ARG 54 4.716 -8.688 -22.292 413 HG2 ARG 54 1HG ARG 54 4.215 -10.805 -21.363 414 HG3 ARG 54 2HG ARG 54 4.716 -10.314 -19.746 415 HD2 ARG 54 1HD ARG 54 2.323 -10.359 -19.739 416 HD3 ARG 54 2HD ARG 54 2.796 -8.663 -19.762 417 HE ARG 54 HE ARG 54 2.507 -9.294 -22.412 418 HH11 ARG 54 1HH2 ARG 54 0.560 -9.677 -19.583 419 HH12 ARG 54 2HH2 ARG 54 -0.941 -9.446 -20.406 420 HH21 ARG 54 1HH1 ARG 54 0.547 -8.987 -23.525 421 HH22 ARG 54 2HH1 ARG 54 -0.955 -9.068 -22.648 422 H PHE 55 H PHE 55 6.954 -7.088 -19.735 423 HA PHE 55 HA PHE 55 7.688 -5.092 -21.574 424 HB2 PHE 55 1HB PHE 55 7.036 -4.174 -19.608 425 HB3 PHE 55 2HB PHE 55 7.614 -5.536 -18.680 426 HD1 PHE 55 HD1 PHE 55 8.560 -2.389 -20.290 427 HD2 PHE 55 HD2 PHE 55 9.767 -5.610 -17.753 428 HE1 PHE 55 HE1 PHE 55 10.572 -1.100 -19.609 429 HE2 PHE 55 HE2 PHE 55 11.783 -4.341 -17.078 430 HZ PHE 55 HZ PHE 55 12.190 -2.072 -17.999 431 H LEU 56 H LEU 56 9.297 -7.716 -20.179 432 HA LEU 56 HA LEU 56 11.967 -6.645 -20.571 433 HB2 LEU 56 1HB LEU 56 11.041 -9.378 -19.694 434 HB3 LEU 56 2HB LEU 56 12.653 -8.673 -19.479 435 HG LEU 56 HG LEU 56 10.201 -7.272 -18.516 436 HD11 LEU 56 1HD1 LEU 56 9.949 -8.568 -16.742 437 HD12 LEU 56 2HD1 LEU 56 11.677 -8.579 -16.422 438 HD13 LEU 56 3HD1 LEU 56 10.984 -9.730 -17.558 439 HD21 LEU 56 3HD2 LEU 56 13.128 -7.054 -17.968 440 HD22 LEU 56 1HD2 LEU 56 11.905 -6.264 -16.973 441 HD23 LEU 56 2HD2 LEU 56 12.049 -5.856 -18.680 442 H GLU 57 H GLU 57 9.790 -8.982 -22.057 443 HA GLU 57 HA GLU 57 11.810 -9.484 -24.144 444 HB2 GLU 57 1HB GLU 57 9.362 -10.836 -24.702 445 HB3 GLU 57 2HB GLU 57 10.920 -11.535 -24.289 446 HG2 GLU 57 1HG GLU 57 10.317 -11.143 -21.839 447 HG3 GLU 57 2HG GLU 57 8.691 -10.742 -22.398 448 H ASN 58 H ASN 58 9.343 -7.411 -23.341 449 HA ASN 58 HA ASN 58 9.189 -6.380 -26.049 450 HB2 ASN 58 1HB ASN 58 7.256 -8.310 -25.231 451 HB3 ASN 58 2HB ASN 58 6.453 -6.750 -25.378 452 HD21 ASN 58 2HD2 ASN 58 9.074 -8.409 -27.225 453 HD22 ASN 58 1HD2 ASN 58 8.363 -8.129 -28.745 454 HA PRO 59 HA PRO 59 8.216 -3.418 -22.509 455 HB2 PRO 59 1HB PRO 59 10.281 -1.663 -23.160 456 HB3 PRO 59 2HB PRO 59 10.372 -2.899 -21.896 457 HG2 PRO 59 1HG PRO 59 11.464 -2.924 -24.648 458 HG3 PRO 59 2HG PRO 59 12.107 -3.650 -23.165 459 HD2 PRO 59 1HD PRO 59 10.850 -5.104 -25.117 460 HD3 PRO 59 2HD PRO 59 10.853 -5.575 -23.408 461 H ALA 60 H ALA 60 8.810 -0.705 -23.290 462 HA ALA 60 HA ALA 60 8.120 0.975 -24.711 463 HB1 ALA 60 1HB ALA 60 7.405 -1.002 -26.841 464 HB2 ALA 60 2HB ALA 60 9.100 -0.788 -26.417 465 HB3 ALA 60 3HB ALA 60 8.158 0.583 -26.993 466 H ASP 61 H ASP 61 6.121 -1.923 -25.259 467 HA ASP 61 HA ASP 61 3.783 -0.570 -24.164 468 HB2 ASP 61 1HB ASP 61 4.100 -0.253 -26.817 469 HB3 ASP 61 2HB ASP 61 3.303 -1.824 -26.807 470 H LEU 62 H LEU 62 1.825 -2.174 -24.517 471 HA LEU 62 HA LEU 62 2.730 -4.675 -23.368 472 HB2 LEU 62 1HB LEU 62 0.196 -3.207 -23.515 473 HB3 LEU 62 2HB LEU 62 0.011 -4.946 -23.725 474 HG LEU 62 HG LEU 62 1.397 -3.556 -21.414 475 HD11 LEU 62 1HD1 LEU 62 -0.970 -5.407 -21.256 476 HD12 LEU 62 2HD1 LEU 62 -1.206 -3.697 -21.610 477 HD13 LEU 62 3HD1 LEU 62 -0.441 -4.189 -20.101 478 HD21 LEU 62 3HD2 LEU 62 2.589 -5.494 -21.325 479 HD22 LEU 62 1HD2 LEU 62 1.486 -6.332 -22.415 480 HD23 LEU 62 2HD2 LEU 62 1.094 -6.190 -20.702 481 H ASP 63 H ASP 63 2.344 -6.724 -24.225 482 HA ASP 63 HA ASP 63 1.648 -6.811 -27.102 483 HB2 ASP 63 1HB ASP 63 4.069 -7.050 -26.864 484 HB3 ASP 63 2HB ASP 63 3.847 -8.323 -25.667 Start of MODEL 12 1 H1 MET 1 H MET 1 3.434 1.234 -1.112 2 HA MET 1 HA MET 1 1.042 1.047 -1.333 3 HB2 MET 1 1HB MET 1 0.655 1.016 -4.106 4 HB3 MET 1 2HB MET 1 0.058 2.229 -2.981 5 HG2 MET 1 1HG MET 1 1.293 3.335 -4.757 6 HG3 MET 1 2HG MET 1 2.196 3.487 -3.250 7 HE1 MET 1 3HE MET 1 4.783 3.380 -3.579 8 HE2 MET 1 1HE MET 1 3.953 4.262 -4.872 9 HE3 MET 1 2HE MET 1 5.278 3.164 -5.256 10 H LEU 2 H LEU 2 2.456 0.107 -4.456 11 HA LEU 2 HA LEU 2 2.567 -2.686 -3.479 12 HB2 LEU 2 1HB LEU 2 0.638 -1.980 -5.031 13 HB3 LEU 2 2HB LEU 2 1.861 -1.980 -6.290 14 HG LEU 2 HG LEU 2 2.360 -4.334 -4.934 15 HD11 LEU 2 1HD1 LEU 2 -0.577 -4.370 -5.450 16 HD12 LEU 2 2HD1 LEU 2 -0.016 -3.638 -3.946 17 HD13 LEU 2 3HD1 LEU 2 0.377 -5.315 -4.311 18 HD21 LEU 2 3HD2 LEU 2 2.473 -4.047 -7.321 19 HD22 LEU 2 1HD2 LEU 2 0.751 -3.675 -7.412 20 HD23 LEU 2 2HD2 LEU 2 1.284 -5.308 -7.001 21 H MET 3 H MET 3 4.324 -3.855 -3.989 22 HA MET 3 HA MET 3 6.463 -2.535 -5.498 23 HB2 MET 3 1HB MET 3 6.700 -3.716 -3.154 24 HB3 MET 3 2HB MET 3 6.762 -5.189 -4.124 25 HG2 MET 3 1HG MET 3 8.450 -3.068 -5.224 26 HG3 MET 3 2HG MET 3 8.913 -3.508 -3.580 27 HE1 MET 3 3HE MET 3 11.370 -4.407 -5.157 28 HE2 MET 3 1HE MET 3 10.292 -3.645 -6.339 29 HE3 MET 3 2HE MET 3 10.972 -5.237 -6.659 30 H ILE 4 H ILE 4 7.201 -3.354 -7.446 31 HA ILE 4 HA ILE 4 5.703 -5.675 -8.542 32 HB ILE 4 HB ILE 4 6.682 -3.115 -9.795 33 HG12 ILE 4 1HG1 ILE 4 4.437 -3.252 -8.718 34 HG13 ILE 4 2HG1 ILE 4 4.388 -2.859 -10.439 35 HG21 ILE 4 1HG2 ILE 4 6.816 -4.006 -11.865 36 HG22 ILE 4 2HG2 ILE 4 5.389 -5.006 -11.619 37 HG23 ILE 4 3HG2 ILE 4 6.958 -5.566 -11.060 38 HD11 ILE 4 3HD1 ILE 4 4.167 -5.484 -10.691 39 HD12 ILE 4 1HD1 ILE 4 2.751 -4.502 -10.332 40 HD13 ILE 4 2HD1 ILE 4 3.565 -5.379 -9.040 41 H THR 5 H THR 5 8.625 -3.825 -9.307 42 HA THR 5 HA THR 5 10.221 -6.266 -9.229 43 HB THR 5 HB THR 5 9.176 -6.128 -11.555 44 HG1 THR 5 HG1 THR 5 11.209 -7.100 -11.243 45 HG21 THR 5 3HG2 THR 5 9.078 -4.134 -12.557 46 HG22 THR 5 1HG2 THR 5 10.837 -4.040 -12.567 47 HG23 THR 5 2HG2 THR 5 9.921 -3.398 -11.205 48 H SER 6 H SER 6 12.345 -5.328 -10.576 49 HA SER 6 HA SER 6 13.023 -2.708 -9.527 50 HB2 SER 6 1HB SER 6 15.286 -3.951 -8.858 51 HB3 SER 6 2HB SER 6 13.973 -3.661 -7.725 52 HG SER 6 HG SER 6 13.234 -5.844 -8.743 53 H PHE 7 H PHE 7 14.372 -1.679 -10.844 54 HA PHE 7 HA PHE 7 15.100 -3.136 -13.297 55 HB2 PHE 7 1HB PHE 7 14.522 -0.263 -12.631 56 HB3 PHE 7 2HB PHE 7 15.230 -0.750 -14.163 57 HD1 PHE 7 HD2 PHE 7 13.890 -3.242 -14.815 58 HD2 PHE 7 HD1 PHE 7 12.251 0.261 -12.977 59 HE1 PHE 7 HE2 PHE 7 11.644 -3.885 -15.627 60 HE2 PHE 7 HE1 PHE 7 10.008 -0.367 -13.817 61 HZ PHE 7 HZ PHE 7 9.699 -2.422 -15.153 62 H ALA 8 H ALA 8 17.131 -3.387 -13.916 63 HA ALA 8 HA ALA 8 19.316 -3.024 -12.197 64 HB1 ALA 8 1HB ALA 8 19.228 -4.504 -14.269 65 HB2 ALA 8 2HB ALA 8 20.706 -3.562 -14.083 66 HB3 ALA 8 3HB ALA 8 19.466 -3.041 -15.223 67 H ASN 9 H ASN 9 17.622 -0.926 -14.266 68 HA ASN 9 HA ASN 9 19.524 1.252 -13.702 69 HB2 ASN 9 1HB ASN 9 18.310 0.395 -16.288 70 HB3 ASN 9 2HB ASN 9 18.503 2.113 -16.001 71 HD21 ASN 9 2HD2 ASN 9 20.310 -0.953 -16.177 72 HD22 ASN 9 1HD2 ASN 9 21.812 -0.235 -16.499 73 HA PRO 10 HA PRO 10 15.806 3.343 -12.460 74 HB2 PRO 10 1HB PRO 10 16.694 5.866 -12.413 75 HB3 PRO 10 2HB PRO 10 17.393 4.651 -11.316 76 HG2 PRO 10 1HG PRO 10 18.436 5.628 -13.942 77 HG3 PRO 10 2HG PRO 10 19.290 5.443 -12.403 78 HD2 PRO 10 1HD PRO 10 19.424 3.588 -14.387 79 HD3 PRO 10 2HD PRO 10 19.551 3.169 -12.667 80 H ARG 11 H ARG 11 17.606 4.242 -15.315 81 HA ARG 11 HA ARG 11 15.749 5.980 -16.546 82 HB2 ARG 11 1HB ARG 11 17.236 4.250 -18.407 83 HB3 ARG 11 2HB ARG 11 17.243 6.006 -18.266 84 HG2 ARG 11 1HG ARG 11 18.683 5.688 -16.182 85 HG3 ARG 11 2HG ARG 11 18.861 4.005 -16.695 86 HD2 ARG 11 1HD ARG 11 20.525 4.689 -18.039 87 HD3 ARG 11 2HD ARG 11 19.297 5.483 -19.021 88 HE ARG 11 HE ARG 11 20.034 7.137 -16.821 89 HH11 ARG 11 1HH2 ARG 11 21.125 5.940 -19.884 90 HH12 ARG 11 2HH2 ARG 11 22.134 7.309 -20.213 91 HH21 ARG 11 1HH1 ARG 11 21.312 8.960 -17.285 92 HH22 ARG 11 2HH1 ARG 11 22.215 9.026 -18.761 93 H VAL 12 H VAL 12 16.406 2.528 -17.124 94 HA VAL 12 HA VAL 12 14.209 1.986 -18.767 95 HB VAL 12 HB VAL 12 14.557 -0.316 -18.254 96 HG11 VAL 12 1HG1 VAL 12 16.454 0.385 -19.461 97 HG12 VAL 12 2HG1 VAL 12 17.131 -0.472 -18.077 98 HG13 VAL 12 3HG1 VAL 12 17.097 1.289 -18.092 99 HG21 VAL 12 3HG2 VAL 12 15.948 -0.994 -16.257 100 HG22 VAL 12 1HG2 VAL 12 14.366 -0.316 -15.872 101 HG23 VAL 12 2HG2 VAL 12 15.813 0.672 -15.706 102 H ALA 13 H ALA 13 14.596 2.225 -15.319 103 HA ALA 13 HA ALA 13 12.071 1.244 -14.546 104 HB1 ALA 13 1HB ALA 13 14.171 1.679 -13.102 105 HB2 ALA 13 2HB ALA 13 12.603 2.048 -12.393 106 HB3 ALA 13 3HB ALA 13 13.605 3.344 -13.033 107 H GLN 14 H GLN 14 13.216 4.598 -14.531 108 HA GLN 14 HA GLN 14 10.687 5.734 -14.209 109 HB2 GLN 14 1HB GLN 14 13.117 6.849 -15.613 110 HB3 GLN 14 2HB GLN 14 11.720 7.792 -15.089 111 HG2 GLN 14 1HG GLN 14 12.213 7.504 -12.822 112 HG3 GLN 14 2HG GLN 14 13.149 6.041 -13.111 113 HE21 GLN 14 2HE2 GLN 14 15.208 6.453 -14.505 114 HE22 GLN 14 1HE2 GLN 14 16.087 7.861 -14.149 115 H ALA 15 H ALA 15 12.451 4.724 -17.099 116 HA ALA 15 HA ALA 15 10.626 5.781 -19.002 117 HB1 ALA 15 1HB ALA 15 12.362 3.309 -19.270 118 HB2 ALA 15 2HB ALA 15 12.925 4.958 -19.549 119 HB3 ALA 15 3HB ALA 15 11.676 4.266 -20.585 120 H PHE 16 H PHE 16 10.930 2.587 -17.453 121 HA PHE 16 HA PHE 16 8.738 1.342 -18.719 122 HB2 PHE 16 1HB PHE 16 10.362 0.051 -17.413 123 HB3 PHE 16 2HB PHE 16 9.848 0.874 -15.940 124 HD1 PHE 16 HD1 PHE 16 8.208 -0.866 -18.842 125 HD2 PHE 16 HD2 PHE 16 8.331 -0.272 -14.594 126 HE1 PHE 16 HE1 PHE 16 6.474 -2.612 -18.545 127 HE2 PHE 16 HE2 PHE 16 6.603 -2.019 -14.300 128 HZ PHE 16 HZ PHE 16 5.662 -3.178 -16.279 129 H VAL 17 H VAL 17 8.923 2.592 -15.398 130 HA VAL 17 HA VAL 17 6.197 2.452 -14.884 131 HB VAL 17 HB VAL 17 6.601 3.955 -13.057 132 HG11 VAL 17 1HG1 VAL 17 8.256 2.698 -11.975 133 HG12 VAL 17 2HG1 VAL 17 9.250 2.576 -13.422 134 HG13 VAL 17 3HG1 VAL 17 7.777 1.620 -13.287 135 HG21 VAL 17 3HG2 VAL 17 9.002 4.734 -14.703 136 HG22 VAL 17 1HG2 VAL 17 8.896 5.092 -12.984 137 HG23 VAL 17 2HG2 VAL 17 7.716 5.773 -14.100 138 H ASP 18 H ASP 18 8.140 5.026 -16.396 139 HA ASP 18 HA ASP 18 6.029 6.887 -16.652 140 HB2 ASP 18 1HB ASP 18 8.269 7.647 -17.141 141 HB3 ASP 18 2HB ASP 18 8.466 6.420 -18.390 142 H TYR 19 H TYR 19 7.226 4.233 -18.613 143 HA TYR 19 HA TYR 19 5.399 4.457 -20.761 144 HB2 TYR 19 1HB TYR 19 6.983 2.912 -21.367 145 HB3 TYR 19 2HB TYR 19 7.242 2.371 -19.708 146 HD1 TYR 19 HD1 TYR 19 4.704 2.342 -22.420 147 HD2 TYR 19 HD2 TYR 19 6.309 0.317 -19.000 148 HE1 TYR 19 HE1 TYR 19 3.160 0.463 -22.819 149 HE2 TYR 19 HE2 TYR 19 4.768 -1.582 -19.401 150 HH TYR 19 HH TYR 19 3.088 -2.373 -20.640 151 H MET 20 H MET 20 5.394 2.286 -17.925 152 HA MET 20 HA MET 20 2.846 1.217 -18.152 153 HB2 MET 20 1HB MET 20 4.298 2.072 -15.640 154 HB3 MET 20 2HB MET 20 2.924 0.972 -15.694 155 HG2 MET 20 1HG MET 20 4.740 -0.015 -17.598 156 HG3 MET 20 2HG MET 20 5.718 0.404 -16.196 157 HE1 MET 20 3HE MET 20 1.862 -0.702 -15.736 158 HE2 MET 20 1HE MET 20 2.104 -2.352 -16.316 159 HE3 MET 20 2HE MET 20 2.490 -0.978 -17.350 160 H ALA 21 H ALA 21 3.939 4.166 -16.580 161 HA ALA 21 HA ALA 21 1.444 5.171 -15.755 162 HB1 ALA 21 1HB ALA 21 3.973 6.631 -16.542 163 HB2 ALA 21 2HB ALA 21 3.579 6.040 -14.930 164 HB3 ALA 21 3HB ALA 21 2.630 7.340 -15.651 165 H THR 22 H THR 22 3.165 5.251 -18.807 166 HA THR 22 HA THR 22 1.565 7.190 -20.116 167 HB THR 22 HB THR 22 3.797 5.538 -20.670 168 HG1 THR 22 HG1 THR 22 3.216 7.804 -21.236 169 HG21 THR 22 3HG2 THR 22 3.284 4.578 -22.846 170 HG22 THR 22 1HG2 THR 22 1.615 5.140 -22.731 171 HG23 THR 22 2HG2 THR 22 2.208 3.899 -21.629 172 H GLN 23 H GLN 23 1.437 3.757 -19.528 173 HA GLN 23 HA GLN 23 -0.904 3.182 -21.080 174 HB2 GLN 23 1HB GLN 23 0.943 1.592 -20.081 175 HB3 GLN 23 2HB GLN 23 -0.133 1.598 -18.689 176 HG2 GLN 23 1HG GLN 23 -1.393 0.046 -19.720 177 HG3 GLN 23 2HG GLN 23 -1.813 1.259 -20.929 178 HE21 GLN 23 2HE2 GLN 23 1.002 -0.884 -20.183 179 HE22 GLN 23 1HE2 GLN 23 1.296 -1.297 -21.803 180 H GLY 24 H GLY 24 -0.273 4.862 -18.297 181 HA2 GLY 24 1HA GLY 24 -1.839 6.031 -17.006 182 HA3 GLY 24 2HA GLY 24 -3.075 4.855 -17.466 183 H VAL 25 H VAL 25 -0.454 3.130 -16.978 184 HA VAL 25 HA VAL 25 -1.218 2.225 -14.306 185 HB VAL 25 HB VAL 25 0.970 1.162 -16.089 186 HG11 VAL 25 1HG1 VAL 25 -0.700 0.231 -13.802 187 HG12 VAL 25 2HG1 VAL 25 1.032 0.092 -14.059 188 HG13 VAL 25 3HG1 VAL 25 -0.073 -0.956 -14.950 189 HG21 VAL 25 3HG2 VAL 25 -1.399 1.480 -17.216 190 HG22 VAL 25 1HG2 VAL 25 -1.855 0.115 -16.202 191 HG23 VAL 25 2HG2 VAL 25 -0.561 -0.058 -17.384 192 H ILE 26 H ILE 26 -0.503 3.528 -12.823 193 HA ILE 26 HA ILE 26 1.978 4.898 -13.084 194 HB ILE 26 HB ILE 26 0.438 4.719 -10.528 195 HG12 ILE 26 1HG1 ILE 26 -0.750 6.825 -11.676 196 HG13 ILE 26 2HG1 ILE 26 -0.427 5.906 -13.148 197 HG21 ILE 26 1HG2 ILE 26 1.159 7.144 -10.551 198 HG22 ILE 26 2HG2 ILE 26 2.084 6.773 -12.007 199 HG23 ILE 26 3HG2 ILE 26 2.474 5.971 -10.485 200 HD11 ILE 26 3HD1 ILE 26 -2.619 5.531 -11.547 201 HD12 ILE 26 1HD1 ILE 26 -1.521 4.305 -10.921 202 HD13 ILE 26 2HD1 ILE 26 -1.964 4.306 -12.630 203 H LEU 27 H LEU 27 3.856 4.079 -12.729 204 HA LEU 27 HA LEU 27 4.208 2.182 -10.499 205 HB2 LEU 27 1HB LEU 27 5.531 2.308 -13.160 206 HB3 LEU 27 2HB LEU 27 6.543 1.931 -11.774 207 HG LEU 27 HG LEU 27 4.157 0.425 -11.506 208 HD11 LEU 27 1HD1 LEU 27 3.563 0.092 -13.657 209 HD12 LEU 27 2HD1 LEU 27 5.037 -0.868 -13.781 210 HD13 LEU 27 3HD1 LEU 27 5.048 0.821 -14.255 211 HD21 LEU 27 3HD2 LEU 27 6.794 0.118 -10.991 212 HD22 LEU 27 1HD2 LEU 27 6.677 -0.833 -12.472 213 HD23 LEU 27 2HD2 LEU 27 5.680 -1.243 -11.078 214 H THR 28 H THR 28 6.984 2.596 -10.284 215 HA THR 28 HA THR 28 7.883 5.201 -10.377 216 HB THR 28 HB THR 28 6.395 4.550 -7.832 217 HG1 THR 28 HG1 THR 28 5.573 5.863 -9.717 218 HG21 THR 28 3HG2 THR 28 7.522 6.676 -6.955 219 HG22 THR 28 1HG2 THR 28 8.694 6.453 -8.252 220 HG23 THR 28 2HG2 THR 28 8.514 5.221 -7.005 221 H ILE 29 H ILE 29 9.951 5.399 -9.383 222 HA ILE 29 HA ILE 29 11.151 2.822 -8.750 223 HB ILE 29 HB ILE 29 12.847 5.224 -8.585 224 HG12 ILE 29 1HG1 ILE 29 11.270 5.989 -10.329 225 HG13 ILE 29 2HG1 ILE 29 12.834 5.601 -11.036 226 HG21 ILE 29 1HG2 ILE 29 12.959 2.714 -10.286 227 HG22 ILE 29 2HG2 ILE 29 13.658 2.862 -8.675 228 HG23 ILE 29 3HG2 ILE 29 14.285 3.840 -10.000 229 HD11 ILE 29 3HD1 ILE 29 10.245 4.411 -11.595 230 HD12 ILE 29 1HD1 ILE 29 11.398 3.177 -11.089 231 HD13 ILE 29 2HD1 ILE 29 11.763 4.218 -12.460 232 H GLN 30 H GLN 30 11.392 2.160 -6.734 233 HA GLN 30 HA GLN 30 10.831 4.027 -4.548 234 HB2 GLN 30 1HB GLN 30 10.337 1.242 -5.101 235 HB3 GLN 30 2HB GLN 30 11.170 1.413 -3.563 236 HG2 GLN 30 1HG GLN 30 8.665 2.905 -4.366 237 HG3 GLN 30 2HG GLN 30 8.731 1.529 -3.268 238 HE21 GLN 30 2HE2 GLN 30 8.833 4.925 -3.374 239 HE22 GLN 30 1HE2 GLN 30 9.461 5.188 -1.819 240 H GLN 31 H GLN 31 12.151 4.299 -2.785 241 HA GLN 31 HA GLN 31 14.999 3.798 -3.212 242 HB2 GLN 31 1HB GLN 31 14.377 5.997 -2.350 243 HB3 GLN 31 2HB GLN 31 13.476 5.259 -1.028 244 HG2 GLN 31 1HG GLN 31 15.394 4.602 0.104 245 HG3 GLN 31 2HG GLN 31 16.375 4.572 -1.363 246 HE21 GLN 31 2HE2 GLN 31 16.479 6.911 -2.448 247 HE22 GLN 31 1HE2 GLN 31 16.785 8.178 -1.363 248 H HIS 32 H HIS 32 15.427 1.692 -2.850 249 HA HIS 32 HA HIS 32 14.907 0.630 -0.164 250 HB2 HIS 32 1HB HIS 32 13.723 -0.374 -2.687 251 HB3 HIS 32 2HB HIS 32 14.409 -1.598 -1.629 252 HD1 HIS 32 HD1 HIS 32 12.762 1.564 -0.366 253 HD2 HIS 32 HD2 HIS 32 11.944 -2.528 -0.600 254 HE1 HIS 32 HE1 HIS 32 10.663 1.163 0.999 255 H ASN 33 H ASN 33 15.989 -0.818 -3.208 256 HA ASN 33 HA ASN 33 18.679 -1.145 -2.023 257 HB2 ASN 33 1HB ASN 33 17.540 -3.244 -1.712 258 HB3 ASN 33 2HB ASN 33 16.983 -3.240 -3.383 259 HD21 ASN 33 2HD2 ASN 33 20.242 -2.597 -1.956 260 HD22 ASN 33 1HD2 ASN 33 21.035 -3.758 -2.903 261 H GLN 34 H GLN 34 16.681 -1.320 -4.952 262 HA GLN 34 HA GLN 34 18.860 -0.039 -6.464 263 HB2 GLN 34 1HB GLN 34 17.482 -2.049 -8.081 264 HB3 GLN 34 2HB GLN 34 19.210 -1.759 -7.885 265 HG2 GLN 34 1HG GLN 34 19.275 -3.091 -5.871 266 HG3 GLN 34 2HG GLN 34 17.518 -3.233 -5.848 267 HE21 GLN 34 2HE2 GLN 34 16.574 -4.897 -7.106 268 HE22 GLN 34 1HE2 GLN 34 17.470 -5.940 -8.099 269 H SER 35 H SER 35 17.356 -0.385 -8.973 270 HA SER 35 HA SER 35 15.510 1.783 -8.611 271 HB2 SER 35 1HB SER 35 15.408 0.151 -11.079 272 HB3 SER 35 2HB SER 35 15.457 1.900 -10.894 273 HG SER 35 HG SER 35 17.487 0.088 -11.222 274 H ASP 36 H ASP 36 14.617 0.124 -6.827 275 HA ASP 36 HA ASP 36 12.874 -1.933 -7.626 276 HB2 ASP 36 1HB ASP 36 12.695 -0.101 -5.227 277 HB3 ASP 36 2HB ASP 36 11.765 -1.584 -5.440 278 H VAL 37 H VAL 37 11.175 -1.867 -8.792 279 HA VAL 37 HA VAL 37 9.851 0.704 -9.225 280 HB VAL 37 HB VAL 37 9.011 -1.493 -10.950 281 HG11 VAL 37 1HG1 VAL 37 9.276 1.275 -11.020 282 HG12 VAL 37 2HG1 VAL 37 8.906 0.251 -12.403 283 HG13 VAL 37 3HG1 VAL 37 10.573 0.722 -12.077 284 HG21 VAL 37 3HG2 VAL 37 11.091 -1.948 -12.028 285 HG22 VAL 37 1HG2 VAL 37 11.433 -2.123 -10.321 286 HG23 VAL 37 2HG2 VAL 37 11.915 -0.658 -11.160 287 H TRP 38 H TRP 38 8.020 1.104 -8.297 288 HA TRP 38 HA TRP 38 6.448 -1.143 -7.220 289 HB2 TRP 38 1HB TRP 38 6.778 1.734 -6.404 290 HB3 TRP 38 2HB TRP 38 5.385 0.791 -5.876 291 HD1 TRP 38 HD1 TRP 38 9.138 -0.202 -6.161 292 HE1 TRP 38 HE1 TRP 38 9.815 -1.218 -3.883 293 HE3 TRP 38 HE3 TRP 38 4.790 0.400 -3.668 294 HZ2 TRP 38 HZ2 TRP 38 8.608 -1.714 -1.308 295 HZ3 TRP 38 HZ3 TRP 38 4.547 -0.323 -1.354 296 HH2 TRP 38 HH2 TRP 38 6.440 -1.388 -0.139 297 H LEU 39 H LEU 39 4.145 -1.014 -7.305 298 HA LEU 39 HA LEU 39 3.128 0.345 -9.741 299 HB2 LEU 39 1HB LEU 39 3.087 -2.239 -9.323 300 HB3 LEU 39 2HB LEU 39 1.747 -1.888 -8.280 301 HG LEU 39 HG LEU 39 1.587 -2.488 -10.914 302 HD11 LEU 39 1HD1 LEU 39 -0.171 -2.481 -9.178 303 HD12 LEU 39 2HD1 LEU 39 -0.710 -1.847 -10.732 304 HD13 LEU 39 3HD1 LEU 39 -0.333 -0.750 -9.413 305 HD21 LEU 39 3HD2 LEU 39 2.515 -0.461 -11.754 306 HD22 LEU 39 1HD2 LEU 39 1.503 0.511 -10.685 307 HD23 LEU 39 2HD2 LEU 39 0.773 -0.392 -12.002 308 H ALA 40 H ALA 40 1.928 2.119 -9.288 309 HA ALA 40 HA ALA 40 0.783 2.425 -6.611 310 HB1 ALA 40 1HB ALA 40 1.489 4.242 -8.830 311 HB2 ALA 40 2HB ALA 40 1.510 4.527 -7.092 312 HB3 ALA 40 3HB ALA 40 -0.003 4.658 -7.988 313 H ASP 41 H ASP 41 -0.124 2.059 -9.955 314 HA ASP 41 HA ASP 41 -2.969 2.209 -9.491 315 HB2 ASP 41 1HB ASP 41 -1.660 2.611 -11.713 316 HB3 ASP 41 2HB ASP 41 -1.630 0.867 -11.838 317 H GLU 42 H GLU 42 -2.229 0.555 -7.579 318 HA GLU 42 HA GLU 42 -1.553 -1.999 -7.849 319 HB2 GLU 42 1HB GLU 42 -3.593 -0.741 -6.102 320 HB3 GLU 42 2HB GLU 42 -3.470 -2.508 -6.113 321 HG2 GLU 42 1HG GLU 42 -1.147 -2.434 -5.566 322 HG3 GLU 42 2HG GLU 42 -1.060 -0.697 -5.826 323 H SER 43 H SER 43 -4.598 -0.753 -9.041 324 HA SER 43 HA SER 43 -5.958 -3.134 -9.561 325 HB2 SER 43 1HB SER 43 -6.014 -1.341 -11.830 326 HB3 SER 43 2HB SER 43 -7.301 -1.721 -10.688 327 HG SER 43 HG SER 43 -5.407 0.354 -10.685 328 H GLN 44 H GLN 44 -3.304 -1.555 -11.106 329 HA GLN 44 HA GLN 44 -3.019 -3.384 -13.309 330 HB2 GLN 44 1HB GLN 44 -1.795 -0.861 -12.340 331 HB3 GLN 44 2HB GLN 44 -0.942 -1.833 -13.505 332 HG2 GLN 44 1HG GLN 44 -2.590 0.041 -14.281 333 HG3 GLN 44 2HG GLN 44 -2.502 -1.480 -15.155 334 HE21 GLN 44 2HE2 GLN 44 -4.593 0.668 -13.554 335 HE22 GLN 44 1HE2 GLN 44 -5.955 -0.344 -13.476 336 H ALA 45 H ALA 45 -2.081 -3.391 -10.095 337 HA ALA 45 HA ALA 45 0.499 -4.057 -9.771 338 HB1 ALA 45 1HB ALA 45 -1.915 -5.573 -8.791 339 HB2 ALA 45 2HB ALA 45 -1.066 -4.271 -7.960 340 HB3 ALA 45 3HB ALA 45 -0.284 -5.837 -8.180 341 H GLU 46 H GLU 46 -1.835 -6.561 -10.415 342 HA GLU 46 HA GLU 46 -0.097 -8.615 -11.127 343 HB2 GLU 46 1HB GLU 46 -2.094 -9.595 -12.179 344 HB3 GLU 46 2HB GLU 46 -2.489 -8.879 -10.615 345 HG2 GLU 46 1HG GLU 46 -3.178 -6.771 -11.839 346 HG3 GLU 46 2HG GLU 46 -2.976 -7.652 -13.352 347 H ARG 47 H ARG 47 -1.741 -6.194 -13.011 348 HA ARG 47 HA ARG 47 -1.032 -6.871 -15.603 349 HB2 ARG 47 1HB ARG 47 -2.485 -4.900 -14.510 350 HB3 ARG 47 2HB ARG 47 -0.989 -4.017 -14.799 351 HG2 ARG 47 1HG ARG 47 -1.456 -5.491 -17.147 352 HG3 ARG 47 2HG ARG 47 -3.017 -4.796 -16.696 353 HD2 ARG 47 1HD ARG 47 -1.335 -2.741 -16.125 354 HD3 ARG 47 2HD ARG 47 -0.531 -3.464 -17.508 355 HE ARG 47 HE ARG 47 -3.379 -2.597 -17.549 356 HH11 ARG 47 1HH2 ARG 47 -0.209 -2.762 -19.025 357 HH12 ARG 47 2HH2 ARG 47 -0.776 -2.170 -20.558 358 HH21 ARG 47 1HH1 ARG 47 -4.069 -1.772 -19.522 359 HH22 ARG 47 2HH1 ARG 47 -2.952 -1.593 -20.836 360 H VAL 48 H VAL 48 0.392 -4.416 -13.645 361 HA VAL 48 HA VAL 48 2.724 -3.954 -15.075 362 HB VAL 48 HB VAL 48 2.143 -3.758 -12.121 363 HG11 VAL 48 1HG1 VAL 48 3.838 -1.853 -12.449 364 HG12 VAL 48 2HG1 VAL 48 4.279 -2.685 -13.940 365 HG13 VAL 48 3HG1 VAL 48 4.465 -3.493 -12.391 366 HG21 VAL 48 3HG2 VAL 48 1.053 -2.498 -14.438 367 HG22 VAL 48 1HG2 VAL 48 2.011 -1.317 -13.550 368 HG23 VAL 48 2HG2 VAL 48 0.703 -2.175 -12.743 369 H ARG 49 H ARG 49 2.406 -5.841 -12.078 370 HA ARG 49 HA ARG 49 4.933 -6.919 -12.048 371 HB2 ARG 49 1HB ARG 49 3.226 -7.316 -10.262 372 HB3 ARG 49 2HB ARG 49 2.426 -8.466 -11.331 373 HG2 ARG 49 1HG ARG 49 4.079 -10.048 -11.092 374 HG3 ARG 49 2HG ARG 49 5.351 -8.844 -10.898 375 HD2 ARG 49 1HD ARG 49 4.312 -8.308 -8.631 376 HD3 ARG 49 2HD ARG 49 3.345 -9.764 -8.841 377 HE ARG 49 HE ARG 49 6.272 -9.986 -9.079 378 HH11 ARG 49 1HH2 ARG 49 3.342 -10.523 -7.279 379 HH12 ARG 49 2HH2 ARG 49 4.027 -11.752 -6.273 380 HH21 ARG 49 1HH1 ARG 49 7.170 -11.592 -7.768 381 HH22 ARG 49 2HH1 ARG 49 6.213 -12.357 -6.548 382 H ALA 50 H ALA 50 2.189 -7.817 -14.028 383 HA ALA 50 HA ALA 50 3.482 -10.145 -15.172 384 HB1 ALA 50 1HB ALA 50 1.531 -10.112 -16.727 385 HB2 ALA 50 2HB ALA 50 0.988 -8.621 -15.960 386 HB3 ALA 50 3HB ALA 50 1.051 -10.118 -15.031 387 H GLU 51 H GLU 51 2.703 -6.837 -16.116 388 HA GLU 51 HA GLU 51 3.520 -6.690 -18.711 389 HB2 GLU 51 1HB GLU 51 4.041 -4.752 -16.457 390 HB3 GLU 51 2HB GLU 51 4.399 -4.384 -18.140 391 HG2 GLU 51 1HG GLU 51 1.771 -5.427 -18.127 392 HG3 GLU 51 2HG GLU 51 1.845 -4.317 -16.767 393 H LEU 52 H LEU 52 5.687 -6.213 -15.920 394 HA LEU 52 HA LEU 52 8.061 -5.844 -17.023 395 HB2 LEU 52 1HB LEU 52 7.392 -7.788 -14.852 396 HB3 LEU 52 2HB LEU 52 9.047 -7.550 -15.386 397 HG LEU 52 HG LEU 52 8.186 -6.130 -13.406 398 HD11 LEU 52 1HD1 LEU 52 9.457 -4.129 -14.388 399 HD12 LEU 52 2HD1 LEU 52 9.589 -5.080 -15.859 400 HD13 LEU 52 3HD1 LEU 52 10.308 -5.668 -14.362 401 HD21 LEU 52 3HD2 LEU 52 6.889 -4.728 -15.755 402 HD22 LEU 52 1HD2 LEU 52 7.167 -3.971 -14.192 403 HD23 LEU 52 2HD2 LEU 52 6.100 -5.358 -14.315 404 H ALA 53 H ALA 53 7.399 -9.259 -16.339 405 HA ALA 53 HA ALA 53 9.185 -10.476 -17.950 406 HB1 ALA 53 1HB ALA 53 6.315 -11.360 -17.863 407 HB2 ALA 53 2HB ALA 53 7.466 -11.625 -16.550 408 HB3 ALA 53 3HB ALA 53 7.741 -12.359 -18.130 409 H ARG 54 H ARG 54 6.153 -9.008 -19.010 410 HA ARG 54 HA ARG 54 6.582 -9.828 -21.779 411 HB2 ARG 54 1HB ARG 54 4.635 -7.782 -20.698 412 HB3 ARG 54 2HB ARG 54 4.580 -8.580 -22.269 413 HG2 ARG 54 1HG ARG 54 4.164 -10.727 -21.255 414 HG3 ARG 54 2HG ARG 54 4.446 -10.081 -19.639 415 HD2 ARG 54 1HD ARG 54 2.031 -10.301 -20.104 416 HD3 ARG 54 2HD ARG 54 2.475 -8.620 -19.864 417 HE ARG 54 HE ARG 54 2.533 -8.500 -22.401 418 HH11 ARG 54 1HH2 ARG 54 0.641 -10.904 -20.732 419 HH12 ARG 54 2HH2 ARG 54 -0.588 -10.965 -21.950 420 HH21 ARG 54 1HH1 ARG 54 0.922 -8.612 -23.993 421 HH22 ARG 54 2HH1 ARG 54 -0.442 -9.677 -23.782 422 H PHE 55 H PHE 55 6.490 -6.833 -19.982 423 HA PHE 55 HA PHE 55 7.377 -5.013 -21.835 424 HB2 PHE 55 1HB PHE 55 6.867 -3.936 -19.933 425 HB3 PHE 55 2HB PHE 55 7.284 -5.321 -18.936 426 HD1 PHE 55 HD1 PHE 55 8.523 -2.307 -20.581 427 HD2 PHE 55 HD2 PHE 55 9.482 -5.588 -18.018 428 HE1 PHE 55 HE1 PHE 55 10.603 -1.141 -19.876 429 HE2 PHE 55 HE2 PHE 55 11.557 -4.440 -17.308 430 HZ PHE 55 HZ PHE 55 12.124 -2.211 -18.236 431 H LEU 56 H LEU 56 9.047 -7.574 -20.245 432 HA LEU 56 HA LEU 56 11.714 -6.627 -20.813 433 HB2 LEU 56 1HB LEU 56 10.519 -9.169 -19.765 434 HB3 LEU 56 2HB LEU 56 12.173 -9.164 -20.333 435 HG LEU 56 HG LEU 56 12.759 -8.489 -18.278 436 HD11 LEU 56 1HD1 LEU 56 12.963 -6.348 -19.370 437 HD12 LEU 56 2HD1 LEU 56 12.332 -6.089 -17.745 438 HD13 LEU 56 3HD1 LEU 56 11.252 -6.021 -19.129 439 HD21 LEU 56 3HD2 LEU 56 10.245 -7.314 -17.331 440 HD22 LEU 56 1HD2 LEU 56 11.206 -8.612 -16.632 441 HD23 LEU 56 2HD2 LEU 56 10.063 -8.956 -17.920 442 H GLU 57 H GLU 57 9.767 -9.363 -22.029 443 HA GLU 57 HA GLU 57 11.544 -9.655 -24.295 444 HB2 GLU 57 1HB GLU 57 9.110 -11.096 -24.693 445 HB3 GLU 57 2HB GLU 57 10.720 -11.725 -24.376 446 HG2 GLU 57 1HG GLU 57 10.247 -11.276 -21.891 447 HG3 GLU 57 2HG GLU 57 8.569 -11.005 -22.376 448 H ASN 58 H ASN 58 8.733 -7.817 -23.615 449 HA ASN 58 HA ASN 58 8.651 -6.946 -26.399 450 HB2 ASN 58 1HB ASN 58 6.569 -8.691 -25.173 451 HB3 ASN 58 2HB ASN 58 6.058 -7.428 -26.287 452 HD21 ASN 58 2HD2 ASN 58 7.328 -10.601 -26.113 453 HD22 ASN 58 1HD2 ASN 58 7.742 -10.769 -27.749 454 HA PRO 59 HA PRO 59 7.248 -3.765 -23.246 455 HB2 PRO 59 1HB PRO 59 9.123 -1.875 -24.053 456 HB3 PRO 59 2HB PRO 59 9.318 -2.945 -22.655 457 HG2 PRO 59 1HG PRO 59 10.490 -3.138 -25.362 458 HG3 PRO 59 2HG PRO 59 11.160 -3.632 -23.799 459 HD2 PRO 59 1HD PRO 59 10.128 -5.405 -25.623 460 HD3 PRO 59 2HD PRO 59 10.152 -5.708 -23.877 461 H ALA 60 H ALA 60 7.248 -1.162 -24.267 462 HA ALA 60 HA ALA 60 6.302 0.177 -25.900 463 HB1 ALA 60 1HB ALA 60 6.710 -0.352 -28.139 464 HB2 ALA 60 2HB ALA 60 6.525 -2.084 -27.868 465 HB3 ALA 60 3HB ALA 60 7.979 -1.253 -27.316 466 H ASP 61 H ASP 61 5.343 -3.196 -26.480 467 HA ASP 61 HA ASP 61 2.526 -2.378 -26.667 468 HB2 ASP 61 1HB ASP 61 3.771 -4.023 -28.308 469 HB3 ASP 61 2HB ASP 61 3.482 -5.204 -27.032 470 H LEU 62 H LEU 62 1.331 -4.716 -25.820 471 HA LEU 62 HA LEU 62 2.242 -5.579 -23.261 472 HB2 LEU 62 1HB LEU 62 1.434 -3.157 -22.883 473 HB3 LEU 62 2HB LEU 62 -0.184 -3.786 -23.144 474 HG LEU 62 HG LEU 62 1.019 -3.673 -20.725 475 HD11 LEU 62 1HD1 LEU 62 -0.769 -4.929 -19.920 476 HD12 LEU 62 2HD1 LEU 62 -0.732 -6.037 -21.286 477 HD13 LEU 62 3HD1 LEU 62 -1.367 -4.408 -21.492 478 HD21 LEU 62 3HD2 LEU 62 1.799 -5.874 -20.049 479 HD22 LEU 62 1HD2 LEU 62 2.775 -5.298 -21.397 480 HD23 LEU 62 2HD2 LEU 62 1.513 -6.504 -21.668 481 H ASP 63 H ASP 63 -1.094 -5.099 -23.199 482 HA ASP 63 HA ASP 63 -1.716 -7.522 -24.725 483 HB2 ASP 63 1HB ASP 63 -1.300 -7.832 -22.091 484 HB3 ASP 63 2HB ASP 63 -2.974 -7.284 -22.036 Start of MODEL 13 1 H1 MET 1 H MET 1 0.192 1.407 -1.776 2 HA MET 1 HA MET 1 1.439 1.913 -4.415 3 HB2 MET 1 1HB MET 1 2.431 2.232 -1.579 4 HB3 MET 1 2HB MET 1 3.553 1.884 -2.890 5 HG2 MET 1 1HG MET 1 1.699 4.272 -2.659 6 HG3 MET 1 2HG MET 1 3.461 4.287 -2.623 7 HE1 MET 1 3HE MET 1 4.983 3.633 -4.502 8 HE2 MET 1 1HE MET 1 4.498 3.216 -6.152 9 HE3 MET 1 2HE MET 1 4.161 2.108 -4.827 10 H LEU 2 H LEU 2 2.569 0.169 -5.199 11 HA LEU 2 HA LEU 2 2.511 -2.328 -3.610 12 HB2 LEU 2 1HB LEU 2 0.690 -1.990 -5.422 13 HB3 LEU 2 2HB LEU 2 1.992 -2.315 -6.548 14 HG LEU 2 HG LEU 2 2.389 -4.284 -4.719 15 HD11 LEU 2 1HD1 LEU 2 0.447 -4.983 -3.756 16 HD12 LEU 2 2HD1 LEU 2 -0.542 -4.461 -5.123 17 HD13 LEU 2 3HD1 LEU 2 0.006 -3.284 -3.925 18 HD21 LEU 2 3HD2 LEU 2 2.466 -4.835 -6.972 19 HD22 LEU 2 1HD2 LEU 2 0.943 -4.028 -7.329 20 HD23 LEU 2 2HD2 LEU 2 0.941 -5.587 -6.504 21 H MET 3 H MET 3 4.168 -3.770 -4.013 22 HA MET 3 HA MET 3 6.498 -2.643 -5.351 23 HB2 MET 3 1HB MET 3 6.394 -3.989 -3.055 24 HB3 MET 3 2HB MET 3 6.529 -5.371 -4.138 25 HG2 MET 3 1HG MET 3 8.385 -3.084 -4.609 26 HG3 MET 3 2HG MET 3 8.693 -4.101 -3.203 27 HE1 MET 3 3HE MET 3 11.118 -4.387 -4.806 28 HE2 MET 3 1HE MET 3 10.204 -3.395 -5.946 29 HE3 MET 3 2HE MET 3 10.963 -4.891 -6.488 30 H ILE 4 H ILE 4 6.792 -3.041 -7.469 31 HA ILE 4 HA ILE 4 5.435 -5.353 -8.681 32 HB ILE 4 HB ILE 4 6.751 -2.911 -9.892 33 HG12 ILE 4 1HG1 ILE 4 4.502 -2.640 -8.819 34 HG13 ILE 4 2HG1 ILE 4 4.516 -2.312 -10.550 35 HG21 ILE 4 1HG2 ILE 4 6.324 -3.750 -12.046 36 HG22 ILE 4 2HG2 ILE 4 5.222 -4.992 -11.455 37 HG23 ILE 4 3HG2 ILE 4 6.954 -5.157 -11.199 38 HD11 ILE 4 3HD1 ILE 4 2.586 -3.661 -10.188 39 HD12 ILE 4 1HD1 ILE 4 3.464 -4.760 -9.127 40 HD13 ILE 4 2HD1 ILE 4 3.790 -4.757 -10.862 41 H THR 5 H THR 5 8.569 -3.707 -8.890 42 HA THR 5 HA THR 5 10.029 -6.197 -8.880 43 HB THR 5 HB THR 5 9.016 -6.029 -11.230 44 HG1 THR 5 HG1 THR 5 10.938 -7.165 -10.914 45 HG21 THR 5 3HG2 THR 5 10.993 -3.838 -11.707 46 HG22 THR 5 1HG2 THR 5 9.426 -3.432 -11.028 47 HG23 THR 5 2HG2 THR 5 9.521 -4.221 -12.584 48 H SER 6 H SER 6 12.211 -5.378 -10.215 49 HA SER 6 HA SER 6 12.952 -2.733 -9.274 50 HB2 SER 6 1HB SER 6 15.171 -4.013 -8.526 51 HB3 SER 6 2HB SER 6 13.864 -3.600 -7.429 52 HG SER 6 HG SER 6 13.222 -5.651 -7.380 53 H PHE 7 H PHE 7 14.258 -1.783 -10.656 54 HA PHE 7 HA PHE 7 15.066 -3.368 -13.002 55 HB2 PHE 7 1HB PHE 7 14.355 -0.496 -12.531 56 HB3 PHE 7 2HB PHE 7 15.236 -0.996 -13.967 57 HD1 PHE 7 HD1 PHE 7 12.989 -3.493 -12.605 58 HD2 PHE 7 HD2 PHE 7 13.180 -0.126 -15.242 59 HE1 PHE 7 HE1 PHE 7 10.893 -4.232 -13.685 60 HE2 PHE 7 HE2 PHE 7 11.071 -0.865 -16.282 61 HZ PHE 7 HZ PHE 7 9.934 -2.898 -15.525 62 H ALA 8 H ALA 8 17.087 -3.263 -13.847 63 HA ALA 8 HA ALA 8 19.267 -2.956 -12.081 64 HB1 ALA 8 1HB ALA 8 19.650 -2.694 -15.037 65 HB2 ALA 8 2HB ALA 8 19.026 -4.216 -14.401 66 HB3 ALA 8 3HB ALA 8 20.593 -3.611 -13.863 67 H ASN 9 H ASN 9 17.467 -0.718 -13.910 68 HA ASN 9 HA ASN 9 19.333 1.401 -13.173 69 HB2 ASN 9 1HB ASN 9 18.429 0.731 -15.915 70 HB3 ASN 9 2HB ASN 9 18.666 2.419 -15.491 71 HD21 ASN 9 2HD2 ASN 9 20.239 0.174 -17.096 72 HD22 ASN 9 1HD2 ASN 9 21.838 0.436 -16.589 73 HA PRO 10 HA PRO 10 15.636 3.508 -11.993 74 HB2 PRO 10 1HB PRO 10 16.552 6.057 -11.968 75 HB3 PRO 10 2HB PRO 10 17.093 4.860 -10.772 76 HG2 PRO 10 1HG PRO 10 18.429 5.730 -13.292 77 HG3 PRO 10 2HG PRO 10 19.116 5.537 -11.671 78 HD2 PRO 10 1HD PRO 10 19.425 3.649 -13.574 79 HD3 PRO 10 2HD PRO 10 19.255 3.226 -11.849 80 H ARG 11 H ARG 11 17.520 4.810 -14.726 81 HA ARG 11 HA ARG 11 15.396 6.276 -15.927 82 HB2 ARG 11 1HB ARG 11 17.697 4.948 -17.368 83 HB3 ARG 11 2HB ARG 11 16.757 6.341 -17.905 84 HG2 ARG 11 1HG ARG 11 17.748 7.777 -16.344 85 HG3 ARG 11 2HG ARG 11 18.247 6.453 -15.293 86 HD2 ARG 11 1HD ARG 11 19.466 5.936 -17.772 87 HD3 ARG 11 2HD ARG 11 19.684 7.662 -17.493 88 HE ARG 11 HE ARG 11 20.411 6.601 -15.100 89 HH11 ARG 11 1HH2 ARG 11 21.242 5.864 -18.377 90 HH12 ARG 11 2HH2 ARG 11 22.817 5.258 -17.995 91 HH21 ARG 11 1HH1 ARG 11 22.461 5.751 -14.571 92 HH22 ARG 11 2HH1 ARG 11 23.510 5.184 -15.825 93 H VAL 12 H VAL 12 16.727 3.067 -16.394 94 HA VAL 12 HA VAL 12 14.937 2.074 -18.306 95 HB VAL 12 HB VAL 12 17.176 1.184 -17.137 96 HG11 VAL 12 1HG1 VAL 12 16.894 0.078 -15.217 97 HG12 VAL 12 2HG1 VAL 12 15.785 -1.024 -16.014 98 HG13 VAL 12 3HG1 VAL 12 15.175 0.426 -15.240 99 HG21 VAL 12 3HG2 VAL 12 16.562 0.175 -19.127 100 HG22 VAL 12 1HG2 VAL 12 14.990 -0.321 -18.497 101 HG23 VAL 12 2HG2 VAL 12 16.453 -1.156 -17.971 102 H ALA 13 H ALA 13 14.786 2.552 -14.883 103 HA ALA 13 HA ALA 13 12.355 1.102 -14.371 104 HB1 ALA 13 1HB ALA 13 14.272 1.924 -12.759 105 HB2 ALA 13 2HB ALA 13 12.609 1.831 -12.194 106 HB3 ALA 13 3HB ALA 13 13.289 3.379 -12.683 107 H GLN 14 H GLN 14 13.113 4.566 -14.329 108 HA GLN 14 HA GLN 14 10.510 5.520 -14.277 109 HB2 GLN 14 1HB GLN 14 12.952 6.702 -15.587 110 HB3 GLN 14 2HB GLN 14 11.451 7.579 -15.281 111 HG2 GLN 14 1HG GLN 14 11.745 7.540 -12.967 112 HG3 GLN 14 2HG GLN 14 12.803 6.130 -13.024 113 HE21 GLN 14 2HE2 GLN 14 15.010 6.508 -13.968 114 HE22 GLN 14 1HE2 GLN 14 15.716 8.042 -13.804 115 H ALA 15 H ALA 15 12.564 4.806 -17.111 116 HA ALA 15 HA ALA 15 10.867 5.595 -19.146 117 HB1 ALA 15 1HB ALA 15 11.986 3.993 -20.559 118 HB2 ALA 15 2HB ALA 15 12.476 3.032 -19.162 119 HB3 ALA 15 3HB ALA 15 13.170 4.632 -19.420 120 H PHE 16 H PHE 16 10.871 2.521 -17.382 121 HA PHE 16 HA PHE 16 8.685 1.350 -18.787 122 HB2 PHE 16 1HB PHE 16 10.224 -0.049 -17.584 123 HB3 PHE 16 2HB PHE 16 9.883 0.774 -16.071 124 HD1 PHE 16 HD1 PHE 16 7.966 -0.936 -18.814 125 HD2 PHE 16 HD2 PHE 16 8.447 -0.266 -14.610 126 HE1 PHE 16 HE1 PHE 16 6.222 -2.645 -18.352 127 HE2 PHE 16 HE2 PHE 16 6.692 -1.968 -14.143 128 HZ PHE 16 HZ PHE 16 5.566 -3.135 -16.010 129 H VAL 17 H VAL 17 8.877 2.526 -15.427 130 HA VAL 17 HA VAL 17 6.150 2.431 -14.927 131 HB VAL 17 HB VAL 17 6.563 3.862 -13.058 132 HG11 VAL 17 1HG1 VAL 17 8.291 2.664 -12.029 133 HG12 VAL 17 2HG1 VAL 17 9.286 2.656 -13.479 134 HG13 VAL 17 3HG1 VAL 17 7.882 1.598 -13.373 135 HG21 VAL 17 3HG2 VAL 17 7.565 5.760 -14.067 136 HG22 VAL 17 1HG2 VAL 17 8.893 4.800 -14.710 137 HG23 VAL 17 2HG2 VAL 17 8.798 5.116 -12.980 138 H ASP 18 H ASP 18 8.115 4.912 -16.499 139 HA ASP 18 HA ASP 18 6.047 6.842 -16.735 140 HB2 ASP 18 1HB ASP 18 8.451 7.366 -17.117 141 HB3 ASP 18 2HB ASP 18 8.410 6.387 -18.581 142 H TYR 19 H TYR 19 7.205 4.166 -18.707 143 HA TYR 19 HA TYR 19 5.414 4.460 -20.888 144 HB2 TYR 19 1HB TYR 19 6.930 2.856 -21.508 145 HB3 TYR 19 2HB TYR 19 7.231 2.367 -19.842 146 HD1 TYR 19 HD1 TYR 19 4.449 2.334 -22.332 147 HD2 TYR 19 HD2 TYR 19 6.469 0.232 -19.186 148 HE1 TYR 19 HE1 TYR 19 2.895 0.435 -22.616 149 HE2 TYR 19 HE2 TYR 19 4.912 -1.672 -19.473 150 HH TYR 19 HH TYR 19 2.676 -2.113 -20.341 151 H MET 20 H MET 20 5.369 2.307 -18.067 152 HA MET 20 HA MET 20 2.807 1.265 -18.325 153 HB2 MET 20 1HB MET 20 4.347 1.959 -15.823 154 HB3 MET 20 2HB MET 20 2.922 0.922 -15.875 155 HG2 MET 20 1HG MET 20 5.409 0.409 -17.521 156 HG3 MET 20 2HG MET 20 5.111 -0.344 -15.971 157 HE1 MET 20 3HE MET 20 3.031 -1.354 -15.333 158 HE2 MET 20 1HE MET 20 2.098 -2.467 -16.336 159 HE3 MET 20 2HE MET 20 1.693 -0.760 -16.307 160 H ALA 21 H ALA 21 3.955 4.198 -16.751 161 HA ALA 21 HA ALA 21 1.496 5.168 -15.797 162 HB1 ALA 21 1HB ALA 21 2.676 7.403 -15.956 163 HB2 ALA 21 2HB ALA 21 4.032 6.547 -16.682 164 HB3 ALA 21 3HB ALA 21 3.531 6.170 -15.036 165 H THR 22 H THR 22 3.065 5.241 -18.937 166 HA THR 22 HA THR 22 1.333 7.091 -20.196 167 HB THR 22 HB THR 22 3.592 5.523 -20.858 168 HG1 THR 22 HG1 THR 22 3.493 7.549 -21.584 169 HG21 THR 22 3HG2 THR 22 2.974 4.506 -22.983 170 HG22 THR 22 1HG2 THR 22 1.295 4.995 -22.762 171 HG23 THR 22 2HG2 THR 22 2.018 3.799 -21.689 172 H GLN 23 H GLN 23 1.379 3.607 -19.686 173 HA GLN 23 HA GLN 23 -1.055 3.009 -21.056 174 HB2 GLN 23 1HB GLN 23 0.384 1.558 -18.837 175 HB3 GLN 23 2HB GLN 23 -0.996 0.920 -19.725 176 HG2 GLN 23 1HG GLN 23 1.269 1.921 -21.367 177 HG3 GLN 23 2HG GLN 23 1.567 0.450 -20.445 178 HE21 GLN 23 2HE2 GLN 23 0.739 1.278 -23.471 179 HE22 GLN 23 1HE2 GLN 23 -0.348 0.031 -23.852 180 H GLY 24 H GLY 24 -0.380 4.837 -18.407 181 HA2 GLY 24 1HA GLY 24 -1.844 5.938 -16.976 182 HA3 GLY 24 2HA GLY 24 -3.127 4.819 -17.449 183 H VAL 25 H VAL 25 -0.401 3.135 -16.980 184 HA VAL 25 HA VAL 25 -1.202 2.128 -14.338 185 HB VAL 25 HB VAL 25 0.917 1.091 -16.227 186 HG11 VAL 25 1HG1 VAL 25 1.159 -0.052 -14.265 187 HG12 VAL 25 2HG1 VAL 25 -0.080 -1.048 -15.028 188 HG13 VAL 25 3HG1 VAL 25 -0.527 0.148 -13.810 189 HG21 VAL 25 3HG2 VAL 25 -2.065 0.504 -16.190 190 HG22 VAL 25 1HG2 VAL 25 -0.873 -0.438 -17.087 191 HG23 VAL 25 2HG2 VAL 25 -1.162 1.247 -17.503 192 H ILE 26 H ILE 26 -0.463 3.417 -12.865 193 HA ILE 26 HA ILE 26 2.012 4.796 -13.118 194 HB ILE 26 HB ILE 26 0.456 4.568 -10.580 195 HG12 ILE 26 1HG1 ILE 26 -0.693 6.712 -11.729 196 HG13 ILE 26 2HG1 ILE 26 -0.395 5.763 -13.185 197 HG21 ILE 26 1HG2 ILE 26 1.180 6.949 -10.474 198 HG22 ILE 26 2HG2 ILE 26 2.048 6.712 -11.991 199 HG23 ILE 26 3HG2 ILE 26 2.524 5.810 -10.552 200 HD11 ILE 26 3HD1 ILE 26 -1.981 4.217 -12.647 201 HD12 ILE 26 1HD1 ILE 26 -2.589 5.457 -11.556 202 HD13 ILE 26 2HD1 ILE 26 -1.518 4.202 -10.943 203 H LEU 27 H LEU 27 3.889 3.883 -12.837 204 HA LEU 27 HA LEU 27 4.248 1.972 -10.623 205 HB2 LEU 27 1HB LEU 27 5.624 2.259 -13.236 206 HB3 LEU 27 2HB LEU 27 6.605 1.808 -11.853 207 HG LEU 27 HG LEU 27 4.246 0.236 -11.750 208 HD11 LEU 27 1HD1 LEU 27 5.450 0.662 -14.456 209 HD12 LEU 27 2HD1 LEU 27 3.755 0.453 -14.016 210 HD13 LEU 27 3HD1 LEU 27 4.843 -0.932 -14.035 211 HD21 LEU 27 3HD2 LEU 27 7.116 -0.371 -12.539 212 HD22 LEU 27 1HD2 LEU 27 5.923 -1.584 -12.082 213 HD23 LEU 27 2HD2 LEU 27 6.467 -0.395 -10.901 214 H THR 28 H THR 28 7.017 2.431 -10.345 215 HA THR 28 HA THR 28 7.803 5.098 -10.276 216 HB THR 28 HB THR 28 6.396 4.125 -7.786 217 HG1 THR 28 HG1 THR 28 5.406 5.523 -9.453 218 HG21 THR 28 3HG2 THR 28 7.427 6.107 -6.634 219 HG22 THR 28 1HG2 THR 28 8.525 6.260 -8.000 220 HG23 THR 28 2HG2 THR 28 8.564 4.813 -6.995 221 H ILE 29 H ILE 29 9.803 5.364 -9.119 222 HA ILE 29 HA ILE 29 11.181 2.797 -8.707 223 HB ILE 29 HB ILE 29 12.750 5.308 -8.760 224 HG12 ILE 29 1HG1 ILE 29 10.955 5.799 -10.427 225 HG13 ILE 29 2HG1 ILE 29 12.529 5.592 -11.183 226 HG21 ILE 29 1HG2 ILE 29 14.151 3.498 -8.942 227 HG22 ILE 29 2HG2 ILE 29 13.781 3.684 -10.654 228 HG23 ILE 29 3HG2 ILE 29 12.915 2.487 -9.696 229 HD11 ILE 29 3HD1 ILE 29 10.102 3.972 -11.485 230 HD12 ILE 29 1HD1 ILE 29 11.537 3.011 -11.158 231 HD13 ILE 29 2HD1 ILE 29 11.501 4.097 -12.539 232 H GLN 30 H GLN 30 11.711 2.198 -6.698 233 HA GLN 30 HA GLN 30 11.356 4.156 -4.540 234 HB2 GLN 30 1HB GLN 30 11.194 1.194 -4.752 235 HB3 GLN 30 2HB GLN 30 11.823 1.830 -3.236 236 HG2 GLN 30 1HG GLN 30 9.206 2.617 -4.532 237 HG3 GLN 30 2HG GLN 30 9.387 1.578 -3.117 238 HE21 GLN 30 2HE2 GLN 30 8.626 4.700 -3.922 239 HE22 GLN 30 1HE2 GLN 30 9.157 5.491 -2.517 240 H GLN 31 H GLN 31 12.975 4.690 -3.128 241 HA GLN 31 HA GLN 31 15.584 4.858 -4.075 242 HB2 GLN 31 1HB GLN 31 14.528 6.247 -2.242 243 HB3 GLN 31 2HB GLN 31 14.794 4.880 -1.159 244 HG2 GLN 31 1HG GLN 31 16.813 5.836 -0.778 245 HG3 GLN 31 2HG GLN 31 17.261 5.123 -2.323 246 HE21 GLN 31 2HE2 GLN 31 15.506 6.979 -3.880 247 HE22 GLN 31 1HE2 GLN 31 16.287 8.480 -3.834 248 H HIS 32 H HIS 32 16.794 3.127 -4.579 249 HA HIS 32 HA HIS 32 17.805 1.429 -2.515 250 HB2 HIS 32 1HB HIS 32 15.513 0.470 -4.033 251 HB3 HIS 32 2HB HIS 32 16.923 -0.561 -4.268 252 HD1 HIS 32 HD1 HIS 32 15.919 1.340 -1.127 253 HD2 HIS 32 HD2 HIS 32 16.443 -2.590 -2.437 254 HE1 HIS 32 HE1 HIS 32 15.695 -0.145 0.922 255 H ASN 33 H ASN 33 19.279 -0.289 -3.514 256 HA ASN 33 HA ASN 33 21.079 0.996 -5.265 257 HB2 ASN 33 1HB ASN 33 21.459 -1.005 -3.611 258 HB3 ASN 33 2HB ASN 33 21.020 -1.993 -5.003 259 HD21 ASN 33 2HD2 ASN 33 22.229 0.015 -6.927 260 HD22 ASN 33 1HD2 ASN 33 23.907 -0.197 -6.774 261 H GLN 34 H GLN 34 18.732 -1.623 -5.819 262 HA GLN 34 HA GLN 34 19.072 -1.234 -8.735 263 HB2 GLN 34 1HB GLN 34 17.647 -3.541 -7.390 264 HB3 GLN 34 2HB GLN 34 18.218 -3.440 -9.054 265 HG2 GLN 34 1HG GLN 34 19.893 -3.643 -6.541 266 HG3 GLN 34 2HG GLN 34 19.806 -4.800 -7.867 267 HE21 GLN 34 2HE2 GLN 34 20.035 -3.008 -10.085 268 HE22 GLN 34 1HE2 GLN 34 21.569 -2.285 -10.032 269 H SER 35 H SER 35 17.752 0.380 -9.243 270 HA SER 35 HA SER 35 15.636 1.593 -8.426 271 HB2 SER 35 1HB SER 35 15.415 0.297 -11.120 272 HB3 SER 35 2HB SER 35 14.867 1.896 -10.627 273 HG SER 35 HG SER 35 17.171 2.302 -10.176 274 H ASP 36 H ASP 36 14.481 0.482 -6.790 275 HA ASP 36 HA ASP 36 12.919 -1.859 -7.373 276 HB2 ASP 36 1HB ASP 36 12.840 0.192 -5.162 277 HB3 ASP 36 2HB ASP 36 11.583 -1.026 -5.317 278 H VAL 37 H VAL 37 11.380 -1.795 -8.850 279 HA VAL 37 HA VAL 37 9.988 0.711 -9.347 280 HB VAL 37 HB VAL 37 9.302 -1.636 -10.973 281 HG11 VAL 37 1HG1 VAL 37 8.697 0.758 -11.448 282 HG12 VAL 37 2HG1 VAL 37 9.559 -0.040 -12.767 283 HG13 VAL 37 3HG1 VAL 37 10.412 1.078 -11.699 284 HG21 VAL 37 3HG2 VAL 37 11.593 -2.255 -10.721 285 HG22 VAL 37 1HG2 VAL 37 12.116 -0.571 -10.763 286 HG23 VAL 37 2HG2 VAL 37 11.518 -1.340 -12.225 287 H TRP 38 H TRP 38 8.274 1.099 -8.177 288 HA TRP 38 HA TRP 38 6.601 -1.138 -7.249 289 HB2 TRP 38 1HB TRP 38 7.055 1.673 -6.289 290 HB3 TRP 38 2HB TRP 38 5.602 0.798 -5.826 291 HD1 TRP 38 HD1 TRP 38 9.299 -0.389 -6.057 292 HE1 TRP 38 HE1 TRP 38 9.870 -1.470 -3.779 293 HE3 TRP 38 HE3 TRP 38 4.934 0.429 -3.628 294 HZ2 TRP 38 HZ2 TRP 38 8.589 -1.922 -1.234 295 HZ3 TRP 38 HZ3 TRP 38 4.608 -0.295 -1.323 296 HH2 TRP 38 HH2 TRP 38 6.425 -1.482 -0.091 297 H LEU 39 H LEU 39 4.275 -0.839 -7.265 298 HA LEU 39 HA LEU 39 3.354 0.736 -9.587 299 HB2 LEU 39 1HB LEU 39 2.939 -1.590 -9.984 300 HB3 LEU 39 2HB LEU 39 2.223 -1.792 -8.390 301 HG LEU 39 HG LEU 39 0.494 -0.060 -9.104 302 HD11 LEU 39 1HD1 LEU 39 0.623 -0.572 -11.890 303 HD12 LEU 39 2HD1 LEU 39 2.223 -0.014 -11.411 304 HD13 LEU 39 3HD1 LEU 39 0.803 0.975 -11.079 305 HD21 LEU 39 3HD2 LEU 39 0.189 -2.541 -9.055 306 HD22 LEU 39 1HD2 LEU 39 0.634 -2.569 -10.760 307 HD23 LEU 39 2HD2 LEU 39 -0.812 -1.719 -10.242 308 H ALA 40 H ALA 40 1.645 2.049 -9.389 309 HA ALA 40 HA ALA 40 0.714 2.605 -6.638 310 HB1 ALA 40 1HB ALA 40 -0.159 4.595 -8.462 311 HB2 ALA 40 2HB ALA 40 1.535 4.278 -8.832 312 HB3 ALA 40 3HB ALA 40 1.062 4.756 -7.204 313 H ASP 41 H ASP 41 -0.215 2.192 -9.988 314 HA ASP 41 HA ASP 41 -3.047 2.146 -9.526 315 HB2 ASP 41 1HB ASP 41 -1.654 2.539 -11.747 316 HB3 ASP 41 2HB ASP 41 -1.733 0.798 -11.859 317 H GLU 42 H GLU 42 -2.163 0.486 -7.607 318 HA GLU 42 HA GLU 42 -1.476 -2.060 -7.940 319 HB2 GLU 42 1HB GLU 42 -3.512 -0.840 -6.141 320 HB3 GLU 42 2HB GLU 42 -3.272 -2.593 -6.124 321 HG2 GLU 42 1HG GLU 42 -1.080 -2.437 -5.429 322 HG3 GLU 42 2HG GLU 42 -0.849 -0.840 -6.134 323 H SER 43 H SER 43 -4.499 -0.762 -9.056 324 HA SER 43 HA SER 43 -5.959 -3.087 -9.569 325 HB2 SER 43 1HB SER 43 -5.943 -1.175 -11.777 326 HB3 SER 43 2HB SER 43 -7.267 -1.641 -10.711 327 HG SER 43 HG SER 43 -5.497 0.489 -10.581 328 H GLN 44 H GLN 44 -3.247 -1.610 -11.110 329 HA GLN 44 HA GLN 44 -3.077 -3.415 -13.349 330 HB2 GLN 44 1HB GLN 44 -1.757 -0.935 -12.389 331 HB3 GLN 44 2HB GLN 44 -0.971 -1.924 -13.594 332 HG2 GLN 44 1HG GLN 44 -2.578 0.013 -14.306 333 HG3 GLN 44 2HG GLN 44 -2.559 -1.501 -15.191 334 HE21 GLN 44 2HE2 GLN 44 -4.539 0.699 -13.538 335 HE22 GLN 44 1HE2 GLN 44 -5.925 -0.276 -13.423 336 H ALA 45 H ALA 45 -2.044 -3.448 -10.141 337 HA ALA 45 HA ALA 45 0.551 -4.187 -9.940 338 HB1 ALA 45 1HB ALA 45 -1.827 -5.650 -8.812 339 HB2 ALA 45 2HB ALA 45 -0.945 -4.325 -8.055 340 HB3 ALA 45 3HB ALA 45 -0.167 -5.894 -8.273 341 H GLU 46 H GLU 46 -1.902 -6.600 -10.436 342 HA GLU 46 HA GLU 46 -0.383 -8.762 -11.224 343 HB2 GLU 46 1HB GLU 46 -2.478 -9.462 -12.355 344 HB3 GLU 46 2HB GLU 46 -2.787 -8.791 -10.750 345 HG2 GLU 46 1HG GLU 46 -3.041 -6.508 -11.998 346 HG3 GLU 46 2HG GLU 46 -3.240 -7.499 -13.444 347 H ARG 47 H ARG 47 -1.728 -6.125 -13.110 348 HA ARG 47 HA ARG 47 -0.948 -6.947 -15.679 349 HB2 ARG 47 1HB ARG 47 -2.451 -4.919 -14.814 350 HB3 ARG 47 2HB ARG 47 -0.925 -4.058 -14.960 351 HG2 ARG 47 1HG ARG 47 -1.071 -5.535 -17.314 352 HG3 ARG 47 2HG ARG 47 -2.725 -4.967 -17.053 353 HD2 ARG 47 1HD ARG 47 -1.226 -2.775 -16.340 354 HD3 ARG 47 2HD ARG 47 -0.306 -3.444 -17.680 355 HE ARG 47 HE ARG 47 -3.216 -2.915 -17.942 356 HH11 ARG 47 1HH2 ARG 47 0.082 -2.493 -19.057 357 HH12 ARG 47 2HH2 ARG 47 -0.406 -1.635 -20.491 358 HH21 ARG 47 1HH1 ARG 47 -3.789 -1.815 -19.840 359 HH22 ARG 47 2HH1 ARG 47 -2.559 -1.273 -20.937 360 H VAL 48 H VAL 48 0.388 -4.346 -13.821 361 HA VAL 48 HA VAL 48 2.760 -3.954 -15.105 362 HB VAL 48 HB VAL 48 2.258 -3.852 -12.130 363 HG11 VAL 48 1HG1 VAL 48 4.515 -3.451 -12.448 364 HG12 VAL 48 2HG1 VAL 48 3.841 -1.833 -12.571 365 HG13 VAL 48 3HG1 VAL 48 4.274 -2.728 -14.032 366 HG21 VAL 48 3HG2 VAL 48 1.922 -1.361 -13.279 367 HG22 VAL 48 1HG2 VAL 48 0.642 -2.428 -12.719 368 HG23 VAL 48 2HG2 VAL 48 1.129 -2.454 -14.412 369 H ARG 49 H ARG 49 2.305 -5.967 -12.235 370 HA ARG 49 HA ARG 49 4.851 -7.036 -12.122 371 HB2 ARG 49 1HB ARG 49 2.192 -8.242 -11.368 372 HB3 ARG 49 2HB ARG 49 3.717 -9.079 -11.079 373 HG2 ARG 49 1HG ARG 49 4.502 -7.106 -9.786 374 HG3 ARG 49 2HG ARG 49 2.904 -6.386 -9.993 375 HD2 ARG 49 1HD ARG 49 2.421 -7.480 -8.074 376 HD3 ARG 49 2HD ARG 49 2.210 -8.855 -9.149 377 HE ARG 49 HE ARG 49 4.938 -8.548 -8.244 378 HH11 ARG 49 1HH2 ARG 49 1.773 -9.736 -7.497 379 HH12 ARG 49 2HH2 ARG 49 2.332 -10.972 -6.421 380 HH21 ARG 49 1HH1 ARG 49 5.695 -10.149 -6.811 381 HH22 ARG 49 2HH1 ARG 49 4.565 -11.208 -6.028 382 H ALA 50 H ALA 50 2.088 -8.016 -14.068 383 HA ALA 50 HA ALA 50 3.374 -10.325 -15.233 384 HB1 ALA 50 1HB ALA 50 1.422 -10.178 -16.834 385 HB2 ALA 50 2HB ALA 50 0.880 -8.766 -15.932 386 HB3 ALA 50 3HB ALA 50 0.973 -10.335 -15.138 387 H GLU 51 H GLU 51 2.510 -7.079 -16.266 388 HA GLU 51 HA GLU 51 3.280 -6.844 -18.831 389 HB2 GLU 51 1HB GLU 51 3.892 -5.016 -16.515 390 HB3 GLU 51 2HB GLU 51 4.245 -4.576 -18.178 391 HG2 GLU 51 1HG GLU 51 1.543 -5.645 -17.851 392 HG3 GLU 51 2HG GLU 51 1.817 -4.191 -16.901 393 H LEU 52 H LEU 52 5.531 -6.310 -16.198 394 HA LEU 52 HA LEU 52 7.824 -6.021 -17.438 395 HB2 LEU 52 1HB LEU 52 7.370 -7.816 -15.096 396 HB3 LEU 52 2HB LEU 52 8.946 -7.170 -15.578 397 HG LEU 52 HG LEU 52 6.479 -5.560 -14.872 398 HD11 LEU 52 1HD1 LEU 52 9.191 -5.744 -13.579 399 HD12 LEU 52 2HD1 LEU 52 7.711 -6.491 -12.970 400 HD13 LEU 52 3HD1 LEU 52 7.845 -4.734 -13.050 401 HD21 LEU 52 3HD2 LEU 52 8.172 -3.625 -15.132 402 HD22 LEU 52 1HD2 LEU 52 7.544 -4.334 -16.615 403 HD23 LEU 52 2HD2 LEU 52 9.154 -4.762 -16.040 404 H ALA 53 H ALA 53 7.046 -9.412 -16.594 405 HA ALA 53 HA ALA 53 9.012 -10.537 -18.190 406 HB1 ALA 53 1HB ALA 53 7.551 -11.825 -16.659 407 HB2 ALA 53 2HB ALA 53 7.686 -12.555 -18.259 408 HB3 ALA 53 3HB ALA 53 6.235 -11.654 -17.818 409 H ARG 54 H ARG 54 6.221 -8.816 -19.112 410 HA ARG 54 HA ARG 54 6.422 -9.783 -21.905 411 HB2 ARG 54 1HB ARG 54 4.392 -7.835 -20.797 412 HB3 ARG 54 2HB ARG 54 4.333 -8.706 -22.326 413 HG2 ARG 54 1HG ARG 54 3.990 -10.806 -21.239 414 HG3 ARG 54 2HG ARG 54 4.393 -10.136 -19.660 415 HD2 ARG 54 1HD ARG 54 1.845 -10.458 -20.528 416 HD3 ARG 54 2HD ARG 54 2.329 -9.227 -19.368 417 HE ARG 54 HE ARG 54 2.251 -8.633 -22.268 418 HH11 ARG 54 1HH2 ARG 54 1.254 -8.013 -18.987 419 HH12 ARG 54 2HH2 ARG 54 0.471 -6.520 -19.377 420 HH21 ARG 54 1HH1 ARG 54 1.200 -6.715 -22.765 421 HH22 ARG 54 2HH1 ARG 54 0.420 -5.793 -21.523 422 H PHE 55 H PHE 55 6.336 -6.839 -19.987 423 HA PHE 55 HA PHE 55 7.044 -4.952 -21.864 424 HB2 PHE 55 1HB PHE 55 6.515 -3.936 -19.933 425 HB3 PHE 55 2HB PHE 55 7.084 -5.276 -18.961 426 HD1 PHE 55 HD1 PHE 55 8.189 -2.342 -20.908 427 HD2 PHE 55 HD2 PHE 55 9.174 -5.170 -17.862 428 HE1 PHE 55 HE1 PHE 55 10.167 -0.979 -20.265 429 HE2 PHE 55 HE2 PHE 55 11.142 -3.841 -17.210 430 HZ PHE 55 HZ PHE 55 11.653 -1.724 -18.425 431 H LEU 56 H LEU 56 8.932 -7.335 -20.214 432 HA LEU 56 HA LEU 56 11.536 -6.309 -20.817 433 HB2 LEU 56 1HB LEU 56 10.393 -8.928 -19.897 434 HB3 LEU 56 2HB LEU 56 12.063 -8.842 -20.415 435 HG LEU 56 HG LEU 56 12.711 -7.861 -18.507 436 HD11 LEU 56 1HD1 LEU 56 10.362 -6.079 -19.046 437 HD12 LEU 56 2HD1 LEU 56 12.070 -5.667 -19.024 438 HD13 LEU 56 3HD1 LEU 56 11.214 -5.973 -17.514 439 HD21 LEU 56 3HD2 LEU 56 11.569 -8.786 -16.788 440 HD22 LEU 56 1HD2 LEU 56 10.484 -9.418 -18.018 441 HD23 LEU 56 2HD2 LEU 56 10.091 -7.915 -17.186 442 H GLU 57 H GLU 57 9.782 -9.095 -22.084 443 HA GLU 57 HA GLU 57 11.492 -9.150 -24.457 444 HB2 GLU 57 1HB GLU 57 9.526 -11.220 -24.479 445 HB3 GLU 57 2HB GLU 57 11.268 -11.363 -24.277 446 HG2 GLU 57 1HG GLU 57 9.516 -10.573 -21.952 447 HG3 GLU 57 2HG GLU 57 9.710 -12.259 -22.380 448 H ASN 58 H ASN 58 8.573 -7.708 -23.665 449 HA ASN 58 HA ASN 58 7.907 -7.521 -26.502 450 HB2 ASN 58 1HB ASN 58 6.530 -9.320 -24.644 451 HB3 ASN 58 2HB ASN 58 5.462 -8.307 -25.611 452 HD21 ASN 58 2HD2 ASN 58 6.759 -8.127 -28.043 453 HD22 ASN 58 1HD2 ASN 58 6.971 -9.672 -28.713 454 HA PRO 59 HA PRO 59 6.115 -4.002 -23.946 455 HB2 PRO 59 1HB PRO 59 8.018 -2.094 -24.297 456 HB3 PRO 59 2HB PRO 59 8.086 -3.240 -22.943 457 HG2 PRO 59 1HG PRO 59 9.589 -3.249 -25.515 458 HG3 PRO 59 2HG PRO 59 10.141 -3.670 -23.886 459 HD2 PRO 59 1HD PRO 59 9.437 -5.542 -25.789 460 HD3 PRO 59 2HD PRO 59 9.365 -5.844 -24.038 461 H ALA 60 H ALA 60 6.476 -1.471 -25.114 462 HA ALA 60 HA ALA 60 6.150 -0.197 -26.997 463 HB1 ALA 60 1HB ALA 60 7.887 -1.935 -27.889 464 HB2 ALA 60 2HB ALA 60 7.005 -0.915 -29.027 465 HB3 ALA 60 3HB ALA 60 6.503 -2.587 -28.769 466 H ASP 61 H ASP 61 4.474 -3.328 -26.928 467 HA ASP 61 HA ASP 61 2.359 -2.266 -28.636 468 HB2 ASP 61 1HB ASP 61 1.511 -4.460 -28.758 469 HB3 ASP 61 2HB ASP 61 3.260 -4.656 -28.743 470 H LEU 62 H LEU 62 0.543 -4.161 -26.986 471 HA LEU 62 HA LEU 62 -1.004 -4.033 -25.327 472 HB2 LEU 62 1HB LEU 62 1.289 -2.878 -24.177 473 HB3 LEU 62 2HB LEU 62 -0.055 -1.805 -23.786 474 HG LEU 62 HG LEU 62 -0.200 -4.805 -23.447 475 HD11 LEU 62 1HD1 LEU 62 1.508 -4.211 -21.973 476 HD12 LEU 62 2HD1 LEU 62 0.064 -4.120 -20.963 477 HD13 LEU 62 3HD1 LEU 62 0.790 -2.647 -21.608 478 HD21 LEU 62 3HD2 LEU 62 -1.857 -2.464 -22.442 479 HD22 LEU 62 1HD2 LEU 62 -2.036 -4.114 -21.848 480 HD23 LEU 62 2HD2 LEU 62 -2.379 -3.743 -23.535 481 H ASP 63 H ASP 63 -2.385 -3.269 -27.005 482 HA ASP 63 HA ASP 63 -3.511 -0.650 -26.388 483 HB2 ASP 63 1HB ASP 63 -1.791 -0.867 -28.554 484 HB3 ASP 63 2HB ASP 63 -3.381 -1.059 -29.284 Start of MODEL 14 1 H1 MET 1 H MET 1 -0.584 0.957 -1.591 2 HA MET 1 HA MET 1 1.319 1.858 -3.681 3 HB2 MET 1 1HB MET 1 1.311 2.737 -1.133 4 HB3 MET 1 2HB MET 1 2.155 1.208 -0.891 5 HG2 MET 1 1HG MET 1 3.653 3.193 -1.384 6 HG3 MET 1 2HG MET 1 3.873 1.814 -2.462 7 HE1 MET 1 3HE MET 1 4.929 2.720 -4.173 8 HE2 MET 1 1HE MET 1 4.263 3.720 -5.474 9 HE3 MET 1 2HE MET 1 3.638 2.093 -5.202 10 H LEU 2 H LEU 2 2.371 0.199 -4.647 11 HA LEU 2 HA LEU 2 2.421 -2.429 -3.314 12 HB2 LEU 2 1HB LEU 2 0.532 -1.977 -5.070 13 HB3 LEU 2 2HB LEU 2 1.823 -2.285 -6.216 14 HG LEU 2 HG LEU 2 2.145 -4.277 -4.322 15 HD11 LEU 2 1HD1 LEU 2 -0.744 -4.364 -5.073 16 HD12 LEU 2 2HD1 LEU 2 -0.279 -3.345 -3.714 17 HD13 LEU 2 3HD1 LEU 2 0.074 -5.072 -3.683 18 HD21 LEU 2 3HD2 LEU 2 2.486 -4.819 -6.557 19 HD22 LEU 2 1HD2 LEU 2 1.010 -4.012 -7.083 20 HD23 LEU 2 2HD2 LEU 2 0.919 -5.578 -6.275 21 H MET 3 H MET 3 4.062 -3.818 -3.988 22 HA MET 3 HA MET 3 6.294 -2.509 -5.373 23 HB2 MET 3 1HB MET 3 6.477 -3.720 -3.067 24 HB3 MET 3 2HB MET 3 6.455 -5.195 -4.031 25 HG2 MET 3 1HG MET 3 8.329 -2.937 -4.707 26 HG3 MET 3 2HG MET 3 8.760 -4.122 -3.478 27 HE1 MET 3 3HE MET 3 10.829 -4.520 -4.832 28 HE2 MET 3 1HE MET 3 10.384 -3.554 -6.242 29 HE3 MET 3 2HE MET 3 10.920 -5.220 -6.447 30 H ILE 4 H ILE 4 7.068 -3.307 -7.330 31 HA ILE 4 HA ILE 4 5.572 -5.597 -8.457 32 HB ILE 4 HB ILE 4 6.577 -3.093 -9.806 33 HG12 ILE 4 1HG1 ILE 4 4.364 -3.074 -8.536 34 HG13 ILE 4 2HG1 ILE 4 4.271 -2.651 -10.244 35 HG21 ILE 4 1HG2 ILE 4 6.532 -5.634 -10.948 36 HG22 ILE 4 2HG2 ILE 4 6.506 -4.105 -11.827 37 HG23 ILE 4 3HG2 ILE 4 4.998 -4.928 -11.442 38 HD11 ILE 4 3HD1 ILE 4 3.366 -4.761 -10.843 39 HD12 ILE 4 1HD1 ILE 4 2.515 -4.326 -9.364 40 HD13 ILE 4 2HD1 ILE 4 3.832 -5.491 -9.312 41 H THR 5 H THR 5 8.623 -3.782 -8.945 42 HA THR 5 HA THR 5 10.153 -6.233 -8.928 43 HB THR 5 HB THR 5 8.966 -6.021 -11.253 44 HG1 THR 5 HG1 THR 5 10.459 -7.457 -11.416 45 HG21 THR 5 3HG2 THR 5 10.262 -4.611 -12.845 46 HG22 THR 5 1HG2 THR 5 11.131 -3.915 -11.488 47 HG23 THR 5 2HG2 THR 5 9.396 -3.657 -11.645 48 H SER 6 H SER 6 12.289 -5.403 -10.371 49 HA SER 6 HA SER 6 13.010 -2.747 -9.421 50 HB2 SER 6 1HB SER 6 15.263 -3.754 -8.734 51 HB3 SER 6 2HB SER 6 13.904 -3.877 -7.623 52 HG SER 6 HG SER 6 15.363 -5.838 -8.511 53 H PHE 7 H PHE 7 14.293 -1.725 -10.788 54 HA PHE 7 HA PHE 7 15.029 -3.217 -13.214 55 HB2 PHE 7 1HB PHE 7 14.357 -0.339 -12.707 56 HB3 PHE 7 2HB PHE 7 14.993 -0.928 -14.233 57 HD1 PHE 7 HD2 PHE 7 13.688 -3.565 -14.438 58 HD2 PHE 7 HD1 PHE 7 12.075 0.184 -13.146 59 HE1 PHE 7 HE2 PHE 7 11.433 -4.324 -15.088 60 HE2 PHE 7 HE1 PHE 7 9.827 -0.560 -13.844 61 HZ PHE 7 HZ PHE 7 9.496 -2.807 -14.805 62 H ALA 8 H ALA 8 17.061 -3.314 -13.898 63 HA ALA 8 HA ALA 8 19.244 -2.869 -12.237 64 HB1 ALA 8 1HB ALA 8 19.168 -4.196 -14.417 65 HB2 ALA 8 2HB ALA 8 20.619 -3.233 -14.148 66 HB3 ALA 8 3HB ALA 8 19.369 -2.652 -15.248 67 H ASN 9 H ASN 9 17.473 -0.691 -14.273 68 HA ASN 9 HA ASN 9 19.232 1.487 -13.402 69 HB2 ASN 9 1HB ASN 9 18.388 0.813 -16.152 70 HB3 ASN 9 2HB ASN 9 18.534 2.510 -15.717 71 HD21 ASN 9 2HD2 ASN 9 20.295 -0.270 -16.668 72 HD22 ASN 9 1HD2 ASN 9 21.851 0.347 -16.379 73 HA PRO 10 HA PRO 10 15.467 3.480 -12.283 74 HB2 PRO 10 1HB PRO 10 16.321 6.046 -12.191 75 HB3 PRO 10 2HB PRO 10 16.857 4.844 -10.995 76 HG2 PRO 10 1HG PRO 10 18.245 5.781 -13.468 77 HG3 PRO 10 2HG PRO 10 18.885 5.591 -11.829 78 HD2 PRO 10 1HD PRO 10 19.302 3.724 -13.728 79 HD3 PRO 10 2HD PRO 10 19.081 3.281 -12.018 80 H ARG 11 H ARG 11 17.441 4.779 -14.947 81 HA ARG 11 HA ARG 11 15.400 6.216 -16.299 82 HB2 ARG 11 1HB ARG 11 17.711 4.696 -17.541 83 HB3 ARG 11 2HB ARG 11 16.809 6.022 -18.275 84 HG2 ARG 11 1HG ARG 11 17.566 7.492 -16.377 85 HG3 ARG 11 2HG ARG 11 18.610 6.173 -15.841 86 HD2 ARG 11 1HD ARG 11 19.311 6.260 -18.446 87 HD3 ARG 11 2HD ARG 11 18.867 7.951 -18.213 88 HE ARG 11 HE ARG 11 21.206 6.643 -17.172 89 HH11 ARG 11 1HH2 ARG 11 18.807 9.083 -16.544 90 HH12 ARG 11 2HH2 ARG 11 19.831 10.012 -15.500 91 HH21 ARG 11 1HH1 ARG 11 22.554 7.882 -15.820 92 HH22 ARG 11 2HH1 ARG 11 21.947 9.335 -15.099 93 H VAL 12 H VAL 12 16.655 2.960 -16.519 94 HA VAL 12 HA VAL 12 14.955 1.761 -18.362 95 HB VAL 12 HB VAL 12 16.424 0.885 -15.898 96 HG11 VAL 12 1HG1 VAL 12 14.276 -0.379 -15.921 97 HG12 VAL 12 2HG1 VAL 12 15.701 -1.394 -16.123 98 HG13 VAL 12 3HG1 VAL 12 14.704 -0.988 -17.518 99 HG21 VAL 12 3HG2 VAL 12 17.647 -0.499 -17.496 100 HG22 VAL 12 1HG2 VAL 12 17.636 1.186 -18.015 101 HG23 VAL 12 2HG2 VAL 12 16.563 0.019 -18.782 102 H ALA 13 H ALA 13 14.674 2.303 -14.926 103 HA ALA 13 HA ALA 13 12.138 1.144 -14.562 104 HB1 ALA 13 1HB ALA 13 14.023 1.773 -12.859 105 HB2 ALA 13 2HB ALA 13 12.343 1.899 -12.353 106 HB3 ALA 13 3HB ALA 13 13.226 3.345 -12.829 107 H GLN 14 H GLN 14 13.062 4.568 -14.458 108 HA GLN 14 HA GLN 14 10.507 5.628 -14.429 109 HB2 GLN 14 1HB GLN 14 12.989 6.751 -15.741 110 HB3 GLN 14 2HB GLN 14 11.522 7.667 -15.394 111 HG2 GLN 14 1HG GLN 14 11.864 7.618 -13.096 112 HG3 GLN 14 2HG GLN 14 12.809 6.132 -13.170 113 HE21 GLN 14 2HE2 GLN 14 14.925 6.531 -14.673 114 HE22 GLN 14 1HE2 GLN 14 15.806 7.923 -14.262 115 H ALA 15 H ALA 15 12.538 4.704 -17.187 116 HA ALA 15 HA ALA 15 10.840 5.525 -19.258 117 HB1 ALA 15 1HB ALA 15 13.049 4.816 -19.823 118 HB2 ALA 15 2HB ALA 15 11.956 3.642 -20.561 119 HB3 ALA 15 3HB ALA 15 12.808 3.240 -19.070 120 H PHE 16 H PHE 16 10.796 2.650 -17.222 121 HA PHE 16 HA PHE 16 8.740 1.312 -18.754 122 HB2 PHE 16 1HB PHE 16 10.240 -0.054 -17.435 123 HB3 PHE 16 2HB PHE 16 9.818 0.822 -15.969 124 HD1 PHE 16 HD1 PHE 16 8.053 -0.939 -18.779 125 HD2 PHE 16 HD2 PHE 16 8.227 -0.134 -14.577 126 HE1 PHE 16 HE1 PHE 16 6.254 -2.595 -18.389 127 HE2 PHE 16 HE2 PHE 16 6.421 -1.791 -14.181 128 HZ PHE 16 HZ PHE 16 5.409 -2.990 -16.099 129 H VAL 17 H VAL 17 8.812 2.591 -15.427 130 HA VAL 17 HA VAL 17 6.063 2.502 -15.008 131 HB VAL 17 HB VAL 17 6.426 3.977 -13.176 132 HG11 VAL 17 1HG1 VAL 17 9.158 2.759 -13.496 133 HG12 VAL 17 2HG1 VAL 17 7.747 1.711 -13.375 134 HG13 VAL 17 3HG1 VAL 17 8.138 2.824 -12.063 135 HG21 VAL 17 3HG2 VAL 17 8.624 5.256 -13.057 136 HG22 VAL 17 1HG2 VAL 17 7.442 5.855 -14.221 137 HG23 VAL 17 2HG2 VAL 17 8.811 4.888 -14.769 138 H ASP 18 H ASP 18 8.084 5.002 -16.567 139 HA ASP 18 HA ASP 18 6.023 6.909 -16.933 140 HB2 ASP 18 1HB ASP 18 8.237 7.660 -17.422 141 HB3 ASP 18 2HB ASP 18 8.525 6.313 -18.524 142 H TYR 19 H TYR 19 7.177 4.157 -18.800 143 HA TYR 19 HA TYR 19 5.396 4.354 -20.989 144 HB2 TYR 19 1HB TYR 19 6.935 2.713 -21.492 145 HB3 TYR 19 2HB TYR 19 7.135 2.241 -19.807 146 HD1 TYR 19 HD1 TYR 19 4.461 2.326 -22.380 147 HD2 TYR 19 HD2 TYR 19 6.286 0.113 -19.190 148 HE1 TYR 19 HE1 TYR 19 2.841 0.506 -22.738 149 HE2 TYR 19 HE2 TYR 19 4.661 -1.728 -19.553 150 HH TYR 19 HH TYR 19 2.824 -2.408 -20.694 151 H MET 20 H MET 20 5.315 2.320 -18.089 152 HA MET 20 HA MET 20 2.741 1.307 -18.292 153 HB2 MET 20 1HB MET 20 4.224 2.154 -15.804 154 HB3 MET 20 2HB MET 20 2.857 1.041 -15.857 155 HG2 MET 20 1HG MET 20 5.420 0.613 -17.407 156 HG3 MET 20 2HG MET 20 5.118 -0.094 -15.838 157 HE1 MET 20 3HE MET 20 2.895 -0.981 -15.282 158 HE2 MET 20 1HE MET 20 2.248 -2.364 -16.164 159 HE3 MET 20 2HE MET 20 1.613 -0.753 -16.470 160 H ALA 21 H ALA 21 3.907 4.313 -16.889 161 HA ALA 21 HA ALA 21 1.451 5.343 -15.981 162 HB1 ALA 21 1HB ALA 21 3.807 6.905 -17.064 163 HB2 ALA 21 2HB ALA 21 3.746 6.219 -15.442 164 HB3 ALA 21 3HB ALA 21 2.596 7.465 -15.914 165 H THR 22 H THR 22 3.034 5.281 -19.127 166 HA THR 22 HA THR 22 1.317 7.102 -20.460 167 HB THR 22 HB THR 22 3.548 5.485 -21.067 168 HG1 THR 22 HG1 THR 22 3.712 7.190 -22.224 169 HG21 THR 22 3HG2 THR 22 2.870 4.391 -23.173 170 HG22 THR 22 1HG2 THR 22 1.189 4.786 -22.824 171 HG23 THR 22 2HG2 THR 22 2.073 3.682 -21.772 172 H GLN 23 H GLN 23 1.265 3.697 -19.664 173 HA GLN 23 HA GLN 23 -1.186 3.084 -21.043 174 HB2 GLN 23 1HB GLN 23 0.465 1.648 -18.986 175 HB3 GLN 23 2HB GLN 23 -1.078 1.023 -19.562 176 HG2 GLN 23 1HG GLN 23 0.537 1.843 -21.818 177 HG3 GLN 23 2HG GLN 23 1.460 0.745 -20.794 178 HE21 GLN 23 2HE2 GLN 23 1.298 -1.120 -22.140 179 HE22 GLN 23 1HE2 GLN 23 -0.185 -1.873 -22.484 180 H GLY 24 H GLY 24 -0.479 4.968 -18.470 181 HA2 GLY 24 1HA GLY 24 -1.897 6.021 -16.969 182 HA3 GLY 24 2HA GLY 24 -3.189 4.913 -17.446 183 H VAL 25 H VAL 25 -0.358 3.322 -16.938 184 HA VAL 25 HA VAL 25 -1.192 2.250 -14.324 185 HB VAL 25 HB VAL 25 0.977 1.237 -16.163 186 HG11 VAL 25 1HG1 VAL 25 0.033 -0.912 -15.001 187 HG12 VAL 25 2HG1 VAL 25 -0.598 0.242 -13.831 188 HG13 VAL 25 3HG1 VAL 25 1.133 0.155 -14.130 189 HG21 VAL 25 3HG2 VAL 25 -1.781 0.052 -16.204 190 HG22 VAL 25 1HG2 VAL 25 -0.552 0.062 -17.467 191 HG23 VAL 25 2HG2 VAL 25 -1.505 1.513 -17.150 192 H ILE 26 H ILE 26 -0.472 3.494 -12.816 193 HA ILE 26 HA ILE 26 1.989 4.911 -13.036 194 HB ILE 26 HB ILE 26 0.427 4.650 -10.506 195 HG12 ILE 26 1HG1 ILE 26 -0.773 6.762 -11.591 196 HG13 ILE 26 2HG1 ILE 26 -0.399 5.917 -13.095 197 HG21 ILE 26 1HG2 ILE 26 2.369 5.944 -10.279 198 HG22 ILE 26 2HG2 ILE 26 1.104 7.137 -10.572 199 HG23 ILE 26 3HG2 ILE 26 2.187 6.661 -11.879 200 HD11 ILE 26 3HD1 ILE 26 -1.913 4.261 -12.684 201 HD12 ILE 26 1HD1 ILE 26 -2.617 5.427 -11.568 202 HD13 ILE 26 2HD1 ILE 26 -1.515 4.196 -10.965 203 H LEU 27 H LEU 27 3.856 3.986 -12.769 204 HA LEU 27 HA LEU 27 4.210 2.109 -10.520 205 HB2 LEU 27 1HB LEU 27 5.565 2.314 -13.156 206 HB3 LEU 27 2HB LEU 27 6.545 1.870 -11.767 207 HG LEU 27 HG LEU 27 4.248 0.339 -11.478 208 HD11 LEU 27 1HD1 LEU 27 3.340 0.325 -13.554 209 HD12 LEU 27 2HD1 LEU 27 4.691 -0.732 -13.955 210 HD13 LEU 27 3HD1 LEU 27 4.798 0.993 -14.285 211 HD21 LEU 27 3HD2 LEU 27 6.876 -0.407 -12.782 212 HD22 LEU 27 1HD2 LEU 27 5.786 -1.498 -11.932 213 HD23 LEU 27 2HD2 LEU 27 6.649 -0.244 -11.044 214 H THR 28 H THR 28 7.003 2.550 -10.298 215 HA THR 28 HA THR 28 7.798 5.209 -10.276 216 HB THR 28 HB THR 28 6.494 4.283 -7.701 217 HG1 THR 28 HG1 THR 28 5.398 5.580 -9.409 218 HG21 THR 28 3HG2 THR 28 8.464 6.541 -8.109 219 HG22 THR 28 1HG2 THR 28 8.704 5.111 -7.106 220 HG23 THR 28 2HG2 THR 28 7.496 6.312 -6.655 221 H ILE 29 H ILE 29 9.871 5.453 -9.120 222 HA ILE 29 HA ILE 29 11.173 2.831 -8.864 223 HB ILE 29 HB ILE 29 12.836 5.269 -8.849 224 HG12 ILE 29 1HG1 ILE 29 11.014 5.912 -10.432 225 HG13 ILE 29 2HG1 ILE 29 12.556 5.677 -11.245 226 HG21 ILE 29 1HG2 ILE 29 14.144 3.901 -10.412 227 HG22 ILE 29 2HG2 ILE 29 12.839 2.714 -10.493 228 HG23 ILE 29 3HG2 ILE 29 13.721 2.956 -8.982 229 HD11 ILE 29 3HD1 ILE 29 10.060 4.207 -11.594 230 HD12 ILE 29 1HD1 ILE 29 11.419 3.135 -11.271 231 HD13 ILE 29 2HD1 ILE 29 11.480 4.256 -12.628 232 H GLN 30 H GLN 30 11.382 2.081 -6.903 233 HA GLN 30 HA GLN 30 11.617 3.909 -4.612 234 HB2 GLN 30 1HB GLN 30 10.871 1.027 -4.949 235 HB3 GLN 30 2HB GLN 30 11.518 1.558 -3.408 236 HG2 GLN 30 1HG GLN 30 9.076 2.649 -4.818 237 HG3 GLN 30 2HG GLN 30 9.101 1.709 -3.328 238 HE21 GLN 30 2HE2 GLN 30 8.751 4.828 -4.383 239 HE22 GLN 30 1HE2 GLN 30 9.345 5.655 -3.027 240 H GLN 31 H GLN 31 13.419 3.724 -3.167 241 HA GLN 31 HA GLN 31 15.852 2.964 -4.529 242 HB2 GLN 31 1HB GLN 31 15.580 5.035 -3.089 243 HB3 GLN 31 2HB GLN 31 15.622 3.960 -1.693 244 HG2 GLN 31 1HG GLN 31 17.870 4.733 -2.049 245 HG3 GLN 31 2HG GLN 31 17.816 3.053 -2.577 246 HE21 GLN 31 2HE2 GLN 31 16.897 6.164 -4.140 247 HE22 GLN 31 1HE2 GLN 31 17.785 5.883 -5.555 248 H HIS 32 H HIS 32 17.190 1.342 -4.095 249 HA HIS 32 HA HIS 32 17.355 -0.247 -1.806 250 HB2 HIS 32 1HB HIS 32 15.222 -1.032 -3.699 251 HB3 HIS 32 2HB HIS 32 16.336 -2.328 -3.272 252 HD1 HIS 32 HD1 HIS 32 16.906 -1.427 -0.310 253 HD2 HIS 32 HD2 HIS 32 13.115 -1.725 -2.009 254 HE1 HIS 32 HE1 HIS 32 15.276 -1.695 1.606 255 H ASN 33 H ASN 33 18.075 -2.684 -2.924 256 HA ASN 33 HA ASN 33 20.658 -2.341 -3.766 257 HB2 ASN 33 1HB ASN 33 19.865 -4.531 -3.198 258 HB3 ASN 33 2HB ASN 33 18.686 -4.506 -4.505 259 HD21 ASN 33 2HD2 ASN 33 19.485 -6.181 -5.855 260 HD22 ASN 33 1HD2 ASN 33 21.049 -6.191 -6.514 261 H GLN 34 H GLN 34 17.734 -2.025 -5.615 262 HA GLN 34 HA GLN 34 19.176 -0.746 -7.774 263 HB2 GLN 34 1HB GLN 34 17.489 -2.497 -9.189 264 HB3 GLN 34 2HB GLN 34 19.250 -2.517 -9.158 265 HG2 GLN 34 1HG GLN 34 19.333 -4.205 -7.549 266 HG3 GLN 34 2HG GLN 34 17.721 -3.845 -6.931 267 HE21 GLN 34 2HE2 GLN 34 18.847 -4.460 -10.295 268 HE22 GLN 34 1HE2 GLN 34 17.778 -5.749 -10.572 269 H SER 35 H SER 35 17.421 -0.247 -9.580 270 HA SER 35 HA SER 35 15.542 1.540 -8.511 271 HB2 SER 35 1HB SER 35 14.966 0.394 -11.162 272 HB3 SER 35 2HB SER 35 15.147 2.072 -10.672 273 HG SER 35 HG SER 35 17.087 0.175 -11.414 274 H ASP 36 H ASP 36 14.470 0.225 -6.826 275 HA ASP 36 HA ASP 36 12.793 -1.982 -7.493 276 HB2 ASP 36 1HB ASP 36 13.196 -0.291 -5.157 277 HB3 ASP 36 2HB ASP 36 11.489 -0.579 -5.451 278 H VAL 37 H VAL 37 11.005 -1.987 -8.638 279 HA VAL 37 HA VAL 37 9.809 0.620 -9.249 280 HB VAL 37 HB VAL 37 8.970 -1.662 -10.882 281 HG11 VAL 37 1HG1 VAL 37 9.083 1.111 -11.047 282 HG12 VAL 37 2HG1 VAL 37 8.785 0.034 -12.404 283 HG13 VAL 37 3HG1 VAL 37 10.414 0.608 -12.078 284 HG21 VAL 37 3HG2 VAL 37 11.055 -2.061 -11.963 285 HG22 VAL 37 1HG2 VAL 37 11.420 -2.160 -10.253 286 HG23 VAL 37 2HG2 VAL 37 11.829 -0.707 -11.150 287 H TRP 38 H TRP 38 8.165 1.075 -8.057 288 HA TRP 38 HA TRP 38 6.434 -1.073 -7.042 289 HB2 TRP 38 1HB TRP 38 6.984 1.760 -6.179 290 HB3 TRP 38 2HB TRP 38 5.550 0.896 -5.624 291 HD1 TRP 38 HD1 TRP 38 9.238 -0.274 -6.032 292 HE1 TRP 38 HE1 TRP 38 9.927 -1.363 -3.794 293 HE3 TRP 38 HE3 TRP 38 4.981 0.445 -3.419 294 HZ2 TRP 38 HZ2 TRP 38 8.776 -1.853 -1.202 295 HZ3 TRP 38 HZ3 TRP 38 4.773 -0.305 -1.102 296 HH2 TRP 38 HH2 TRP 38 6.657 -1.460 0.036 297 H LEU 39 H LEU 39 4.162 -0.840 -7.134 298 HA LEU 39 HA LEU 39 3.260 0.768 -9.446 299 HB2 LEU 39 1HB LEU 39 2.870 -1.582 -9.821 300 HB3 LEU 39 2HB LEU 39 2.098 -1.748 -8.246 301 HG LEU 39 HG LEU 39 0.401 -0.021 -9.040 302 HD11 LEU 39 1HD1 LEU 39 0.234 0.419 -11.397 303 HD12 LEU 39 2HD1 LEU 39 1.516 -0.731 -11.750 304 HD13 LEU 39 3HD1 LEU 39 1.896 0.773 -10.931 305 HD21 LEU 39 3HD2 LEU 39 0.062 -2.511 -9.010 306 HD22 LEU 39 1HD2 LEU 39 0.558 -2.529 -10.700 307 HD23 LEU 39 2HD2 LEU 39 -0.893 -1.663 -10.220 308 H ALA 40 H ALA 40 1.611 2.118 -9.241 309 HA ALA 40 HA ALA 40 0.641 2.669 -6.504 310 HB1 ALA 40 1HB ALA 40 -0.258 4.667 -8.246 311 HB2 ALA 40 2HB ALA 40 1.372 4.297 -8.800 312 HB3 ALA 40 3HB ALA 40 1.102 4.786 -7.128 313 H ASP 41 H ASP 41 -0.299 2.255 -9.862 314 HA ASP 41 HA ASP 41 -3.125 2.190 -9.349 315 HB2 ASP 41 1HB ASP 41 -1.520 2.470 -11.607 316 HB3 ASP 41 2HB ASP 41 -2.187 0.862 -11.795 317 H GLU 42 H GLU 42 -2.238 0.503 -7.506 318 HA GLU 42 HA GLU 42 -1.525 -2.025 -7.874 319 HB2 GLU 42 1HB GLU 42 -3.607 -0.862 -6.088 320 HB3 GLU 42 2HB GLU 42 -3.343 -2.612 -6.098 321 HG2 GLU 42 1HG GLU 42 -1.200 -2.444 -5.315 322 HG3 GLU 42 2HG GLU 42 -0.930 -0.872 -6.057 323 H SER 43 H SER 43 -4.684 -0.835 -8.896 324 HA SER 43 HA SER 43 -5.964 -3.248 -9.464 325 HB2 SER 43 1HB SER 43 -6.079 -1.171 -11.559 326 HB3 SER 43 2HB SER 43 -7.391 -1.930 -10.660 327 HG SER 43 HG SER 43 -7.123 -0.501 -9.037 328 H GLN 44 H GLN 44 -3.241 -1.708 -10.788 329 HA GLN 44 HA GLN 44 -3.070 -3.345 -13.189 330 HB2 GLN 44 1HB GLN 44 -1.488 -1.003 -12.143 331 HB3 GLN 44 2HB GLN 44 -1.163 -1.808 -13.661 332 HG2 GLN 44 1HG GLN 44 -3.647 -0.299 -12.870 333 HG3 GLN 44 2HG GLN 44 -2.515 0.113 -14.150 334 HE21 GLN 44 2HE2 GLN 44 -5.364 -0.268 -14.568 335 HE22 GLN 44 1HE2 GLN 44 -5.543 -1.603 -15.599 336 H ALA 45 H ALA 45 -2.011 -3.477 -9.993 337 HA ALA 45 HA ALA 45 0.592 -4.212 -9.857 338 HB1 ALA 45 1HB ALA 45 -0.815 -4.411 -7.921 339 HB2 ALA 45 2HB ALA 45 -0.111 -5.996 -8.233 340 HB3 ALA 45 3HB ALA 45 -1.778 -5.668 -8.693 341 H GLU 46 H GLU 46 -1.884 -6.600 -10.370 342 HA GLU 46 HA GLU 46 -0.350 -8.738 -11.210 343 HB2 GLU 46 1HB GLU 46 -2.485 -9.464 -12.286 344 HB3 GLU 46 2HB GLU 46 -2.708 -8.877 -10.635 345 HG2 GLU 46 1HG GLU 46 -3.051 -6.540 -11.852 346 HG3 GLU 46 2HG GLU 46 -3.438 -7.559 -13.237 347 H ARG 47 H ARG 47 -1.795 -6.111 -13.012 348 HA ARG 47 HA ARG 47 -1.140 -6.879 -15.626 349 HB2 ARG 47 1HB ARG 47 -2.625 -4.924 -14.617 350 HB3 ARG 47 2HB ARG 47 -1.132 -4.020 -14.792 351 HG2 ARG 47 1HG ARG 47 -1.442 -5.423 -17.206 352 HG3 ARG 47 2HG ARG 47 -3.036 -4.764 -16.820 353 HD2 ARG 47 1HD ARG 47 -1.402 -2.705 -16.104 354 HD3 ARG 47 2HD ARG 47 -0.529 -3.376 -17.468 355 HE ARG 47 HE ARG 47 -3.404 -2.748 -17.757 356 HH11 ARG 47 1HH2 ARG 47 -0.070 -2.186 -18.623 357 HH12 ARG 47 2HH2 ARG 47 -0.476 -1.150 -19.947 358 HH21 ARG 47 1HH1 ARG 47 -3.897 -1.395 -19.502 359 HH22 ARG 47 2HH1 ARG 47 -2.624 -0.706 -20.459 360 H VAL 48 H VAL 48 0.276 -4.371 -13.728 361 HA VAL 48 HA VAL 48 2.597 -3.917 -15.117 362 HB VAL 48 HB VAL 48 2.079 -3.799 -12.147 363 HG11 VAL 48 1HG1 VAL 48 4.105 -2.569 -14.002 364 HG12 VAL 48 2HG1 VAL 48 4.393 -3.449 -12.509 365 HG13 VAL 48 3HG1 VAL 48 3.693 -1.838 -12.455 366 HG21 VAL 48 3HG2 VAL 48 1.857 -1.336 -13.515 367 HG22 VAL 48 1HG2 VAL 48 0.589 -2.227 -12.679 368 HG23 VAL 48 2HG2 VAL 48 0.888 -2.517 -14.395 369 H ARG 49 H ARG 49 2.238 -5.910 -12.233 370 HA ARG 49 HA ARG 49 4.795 -6.939 -12.173 371 HB2 ARG 49 1HB ARG 49 3.357 -7.401 -10.317 372 HB3 ARG 49 2HB ARG 49 2.171 -8.206 -11.350 373 HG2 ARG 49 1HG ARG 49 3.592 -10.069 -11.711 374 HG3 ARG 49 2HG ARG 49 5.012 -9.202 -11.125 375 HD2 ARG 49 1HD ARG 49 3.886 -9.089 -8.853 376 HD3 ARG 49 2HD ARG 49 2.662 -10.188 -9.484 377 HE ARG 49 HE ARG 49 5.347 -10.878 -8.686 378 HH11 ARG 49 1HH2 ARG 49 2.692 -11.647 -10.777 379 HH12 ARG 49 2HH2 ARG 49 3.186 -13.284 -11.041 380 HH21 ARG 49 1HH1 ARG 49 6.012 -13.023 -9.037 381 HH22 ARG 49 2HH1 ARG 49 5.070 -14.072 -10.044 382 H ALA 50 H ALA 50 2.036 -7.894 -14.105 383 HA ALA 50 HA ALA 50 3.325 -10.209 -15.261 384 HB1 ALA 50 1HB ALA 50 0.817 -8.683 -16.027 385 HB2 ALA 50 2HB ALA 50 0.898 -10.173 -15.086 386 HB3 ALA 50 3HB ALA 50 1.348 -10.177 -16.791 387 H GLU 51 H GLU 51 2.461 -6.939 -16.315 388 HA GLU 51 HA GLU 51 3.318 -6.760 -18.887 389 HB2 GLU 51 1HB GLU 51 3.880 -4.889 -16.577 390 HB3 GLU 51 2HB GLU 51 4.202 -4.467 -18.247 391 HG2 GLU 51 1HG GLU 51 1.554 -5.495 -18.172 392 HG3 GLU 51 2HG GLU 51 1.703 -4.368 -16.828 393 H LEU 52 H LEU 52 5.446 -6.258 -16.130 394 HA LEU 52 HA LEU 52 7.799 -5.926 -17.249 395 HB2 LEU 52 1HB LEU 52 7.241 -7.755 -14.955 396 HB3 LEU 52 2HB LEU 52 8.834 -7.096 -15.356 397 HG LEU 52 HG LEU 52 6.346 -5.589 -14.519 398 HD11 LEU 52 1HD1 LEU 52 9.147 -5.918 -13.536 399 HD12 LEU 52 2HD1 LEU 52 7.629 -6.097 -12.656 400 HD13 LEU 52 3HD1 LEU 52 8.208 -4.490 -13.102 401 HD21 LEU 52 3HD2 LEU 52 7.178 -4.383 -16.466 402 HD22 LEU 52 1HD2 LEU 52 8.837 -4.519 -15.876 403 HD23 LEU 52 2HD2 LEU 52 7.688 -3.523 -15.014 404 H ALA 53 H ALA 53 7.171 -9.329 -16.382 405 HA ALA 53 HA ALA 53 9.196 -10.427 -17.857 406 HB1 ALA 53 1HB ALA 53 8.219 -12.363 -17.347 407 HB2 ALA 53 2HB ALA 53 6.807 -11.981 -18.329 408 HB3 ALA 53 3HB ALA 53 6.888 -11.440 -16.651 409 H ARG 54 H ARG 54 6.402 -8.821 -19.033 410 HA ARG 54 HA ARG 54 6.835 -9.815 -21.779 411 HB2 ARG 54 1HB ARG 54 4.749 -7.842 -20.842 412 HB3 ARG 54 2HB ARG 54 4.757 -8.784 -22.330 413 HG2 ARG 54 1HG ARG 54 4.530 -10.866 -21.043 414 HG3 ARG 54 2HG ARG 54 4.593 -9.947 -19.537 415 HD2 ARG 54 1HD ARG 54 2.259 -10.602 -20.582 416 HD3 ARG 54 2HD ARG 54 2.495 -9.027 -19.829 417 HE ARG 54 HE ARG 54 2.387 -8.025 -21.944 418 HH11 ARG 54 1HH2 ARG 54 2.572 -11.477 -22.156 419 HH12 ARG 54 2HH2 ARG 54 2.247 -11.536 -23.855 420 HH21 ARG 54 1HH1 ARG 54 2.008 -8.078 -24.186 421 HH22 ARG 54 2HH1 ARG 54 1.893 -9.605 -25.010 422 H PHE 55 H PHE 55 6.678 -6.910 -19.873 423 HA PHE 55 HA PHE 55 7.478 -5.008 -21.747 424 HB2 PHE 55 1HB PHE 55 6.678 -3.978 -19.928 425 HB3 PHE 55 2HB PHE 55 7.215 -5.251 -18.850 426 HD1 PHE 55 HD1 PHE 55 8.407 -2.403 -20.864 427 HD2 PHE 55 HD2 PHE 55 9.125 -4.983 -17.556 428 HE1 PHE 55 HE1 PHE 55 10.314 -0.972 -20.150 429 HE2 PHE 55 HE2 PHE 55 11.007 -3.587 -16.826 430 HZ PHE 55 HZ PHE 55 11.626 -1.562 -18.133 431 H LEU 56 H LEU 56 9.213 -7.336 -19.871 432 HA LEU 56 HA LEU 56 11.813 -6.167 -20.105 433 HB2 LEU 56 1HB LEU 56 10.746 -8.888 -19.388 434 HB3 LEU 56 2HB LEU 56 12.463 -8.644 -19.643 435 HG LEU 56 HG LEU 56 12.728 -7.535 -17.687 436 HD11 LEU 56 1HD1 LEU 56 10.046 -6.310 -18.317 437 HD12 LEU 56 2HD1 LEU 56 11.619 -5.517 -18.338 438 HD13 LEU 56 3HD1 LEU 56 10.888 -5.995 -16.809 439 HD21 LEU 56 3HD2 LEU 56 11.180 -9.615 -17.334 440 HD22 LEU 56 1HD2 LEU 56 9.944 -8.409 -16.981 441 HD23 LEU 56 2HD2 LEU 56 11.403 -8.480 -16.002 442 H GLU 57 H GLU 57 10.398 -9.046 -21.608 443 HA GLU 57 HA GLU 57 12.422 -9.094 -23.666 444 HB2 GLU 57 1HB GLU 57 10.643 -10.813 -24.619 445 HB3 GLU 57 2HB GLU 57 11.714 -11.243 -23.294 446 HG2 GLU 57 1HG GLU 57 9.982 -11.430 -21.813 447 HG3 GLU 57 2HG GLU 57 9.221 -9.949 -22.398 448 H ASN 58 H ASN 58 9.268 -7.741 -23.267 449 HA ASN 58 HA ASN 58 9.407 -6.761 -26.043 450 HB2 ASN 58 1HB ASN 58 7.449 -8.647 -24.887 451 HB3 ASN 58 2HB ASN 58 6.804 -7.384 -25.927 452 HD21 ASN 58 2HD2 ASN 58 8.464 -10.408 -25.892 453 HD22 ASN 58 1HD2 ASN 58 8.803 -10.486 -27.556 454 HA PRO 59 HA PRO 59 7.853 -3.621 -22.878 455 HB2 PRO 59 1HB PRO 59 9.707 -1.698 -23.675 456 HB3 PRO 59 2HB PRO 59 9.905 -2.773 -22.285 457 HG2 PRO 59 1HG PRO 59 11.071 -2.954 -25.002 458 HG3 PRO 59 2HG PRO 59 11.761 -3.422 -23.438 459 HD2 PRO 59 1HD PRO 59 10.764 -5.237 -25.219 460 HD3 PRO 59 2HD PRO 59 10.747 -5.503 -23.466 461 H ALA 60 H ALA 60 8.326 -0.951 -24.046 462 HA ALA 60 HA ALA 60 7.503 0.470 -25.649 463 HB1 ALA 60 1HB ALA 60 6.728 -1.821 -27.407 464 HB2 ALA 60 2HB ALA 60 8.439 -1.503 -27.132 465 HB3 ALA 60 3HB ALA 60 7.412 -0.256 -27.842 466 H ASP 61 H ASP 61 5.576 -2.525 -25.421 467 HA ASP 61 HA ASP 61 3.276 -0.934 -24.574 468 HB2 ASP 61 1HB ASP 61 3.388 -1.322 -27.194 469 HB3 ASP 61 2HB ASP 61 2.737 -2.897 -26.750 470 H LEU 62 H LEU 62 1.343 -2.843 -24.761 471 HA LEU 62 HA LEU 62 2.169 -4.706 -22.684 472 HB2 LEU 62 1HB LEU 62 -0.290 -3.431 -23.495 473 HB3 LEU 62 2HB LEU 62 -0.517 -5.174 -23.372 474 HG LEU 62 HG LEU 62 0.699 -3.415 -21.227 475 HD11 LEU 62 1HD1 LEU 62 -2.062 -4.600 -21.588 476 HD12 LEU 62 2HD1 LEU 62 -1.626 -2.912 -21.322 477 HD13 LEU 62 3HD1 LEU 62 -1.450 -4.082 -20.016 478 HD21 LEU 62 3HD2 LEU 62 0.229 -6.372 -21.490 479 HD22 LEU 62 1HD2 LEU 62 0.109 -5.620 -19.899 480 HD23 LEU 62 2HD2 LEU 62 1.614 -5.516 -20.812 481 H ASP 63 H ASP 63 0.201 -5.003 -25.612 482 HA ASP 63 HA ASP 63 1.552 -7.533 -26.274 483 HB2 ASP 63 1HB ASP 63 -1.182 -7.226 -25.371 484 HB3 ASP 63 2HB ASP 63 -1.148 -7.856 -27.014 Start of MODEL 15 1 H1 MET 1 H MET 1 -1.098 0.698 -2.484 2 HA MET 1 HA MET 1 0.765 1.394 -3.654 3 HB2 MET 1 1HB MET 1 1.754 1.956 -0.999 4 HB3 MET 1 2HB MET 1 2.931 0.963 -1.855 5 HG2 MET 1 1HG MET 1 1.762 3.607 -2.758 6 HG3 MET 1 2HG MET 1 3.449 3.252 -2.379 7 HE1 MET 1 3HE MET 1 5.099 2.779 -3.931 8 HE2 MET 1 1HE MET 1 4.331 4.183 -4.686 9 HE3 MET 1 2HE MET 1 4.844 2.818 -5.674 10 H LEU 2 H LEU 2 2.360 -0.084 -4.611 11 HA LEU 2 HA LEU 2 2.370 -2.790 -3.457 12 HB2 LEU 2 1HB LEU 2 0.555 -2.190 -5.295 13 HB3 LEU 2 2HB LEU 2 1.897 -2.568 -6.358 14 HG LEU 2 HG LEU 2 2.056 -4.574 -4.502 15 HD11 LEU 2 1HD1 LEU 2 -0.047 -5.239 -3.843 16 HD12 LEU 2 2HD1 LEU 2 -0.839 -4.496 -5.228 17 HD13 LEU 2 3HD1 LEU 2 -0.302 -3.498 -3.876 18 HD21 LEU 2 3HD2 LEU 2 0.768 -5.795 -6.455 19 HD22 LEU 2 1HD2 LEU 2 2.357 -5.095 -6.743 20 HD23 LEU 2 2HD2 LEU 2 0.911 -4.228 -7.251 21 H MET 3 H MET 3 4.042 -4.117 -4.104 22 HA MET 3 HA MET 3 6.275 -2.745 -5.416 23 HB2 MET 3 1HB MET 3 6.437 -3.951 -3.106 24 HB3 MET 3 2HB MET 3 6.461 -5.430 -4.070 25 HG2 MET 3 1HG MET 3 8.342 -3.109 -4.564 26 HG3 MET 3 2HG MET 3 8.742 -4.483 -3.531 27 HE1 MET 3 3HE MET 3 10.236 -3.459 -6.338 28 HE2 MET 3 1HE MET 3 10.804 -5.075 -6.769 29 HE3 MET 3 2HE MET 3 10.801 -4.556 -5.086 30 H ILE 4 H ILE 4 6.584 -3.185 -7.540 31 HA ILE 4 HA ILE 4 5.310 -5.584 -8.665 32 HB ILE 4 HB ILE 4 6.317 -3.011 -9.863 33 HG12 ILE 4 1HG1 ILE 4 4.059 -3.061 -8.847 34 HG13 ILE 4 2HG1 ILE 4 3.987 -2.837 -10.593 35 HG21 ILE 4 1HG2 ILE 4 6.774 -5.288 -11.201 36 HG22 ILE 4 2HG2 ILE 4 6.205 -3.836 -12.018 37 HG23 ILE 4 3HG2 ILE 4 5.064 -5.111 -11.590 38 HD11 ILE 4 3HD1 ILE 4 3.849 -5.519 -10.532 39 HD12 ILE 4 1HD1 ILE 4 2.414 -4.504 -10.404 40 HD13 ILE 4 2HD1 ILE 4 3.147 -5.175 -8.952 41 H THR 5 H THR 5 8.332 -3.781 -9.213 42 HA THR 5 HA THR 5 9.870 -6.248 -9.227 43 HB THR 5 HB THR 5 8.777 -6.022 -11.550 44 HG1 THR 5 HG1 THR 5 10.607 -7.232 -11.375 45 HG21 THR 5 3HG2 THR 5 9.597 -3.379 -11.227 46 HG22 THR 5 1HG2 THR 5 8.970 -4.108 -12.701 47 HG23 THR 5 2HG2 THR 5 10.711 -4.035 -12.423 48 H SER 6 H SER 6 12.060 -5.362 -10.512 49 HA SER 6 HA SER 6 12.766 -2.747 -9.442 50 HB2 SER 6 1HB SER 6 14.723 -4.873 -8.876 51 HB3 SER 6 2HB SER 6 14.338 -3.411 -7.978 52 HG SER 6 HG SER 6 12.927 -4.471 -6.846 53 H PHE 7 H PHE 7 14.304 -1.745 -10.632 54 HA PHE 7 HA PHE 7 15.173 -3.219 -13.039 55 HB2 PHE 7 1HB PHE 7 14.523 -0.318 -12.588 56 HB3 PHE 7 2HB PHE 7 15.203 -0.954 -14.076 57 HD1 PHE 7 HD2 PHE 7 13.837 -3.521 -14.388 58 HD2 PHE 7 HD1 PHE 7 12.264 0.226 -13.035 59 HE1 PHE 7 HE2 PHE 7 11.594 -4.197 -15.148 60 HE2 PHE 7 HE1 PHE 7 10.023 -0.441 -13.843 61 HZ PHE 7 HZ PHE 7 9.687 -2.629 -14.901 62 H ALA 8 H ALA 8 17.263 -3.327 -13.552 63 HA ALA 8 HA ALA 8 19.299 -2.783 -11.720 64 HB1 ALA 8 1HB ALA 8 19.655 -4.288 -13.612 65 HB2 ALA 8 2HB ALA 8 20.841 -2.981 -13.670 66 HB3 ALA 8 3HB ALA 8 19.442 -2.952 -14.747 67 H ASN 9 H ASN 9 17.776 -0.845 -14.180 68 HA ASN 9 HA ASN 9 19.432 1.437 -13.381 69 HB2 ASN 9 1HB ASN 9 18.432 0.627 -16.049 70 HB3 ASN 9 2HB ASN 9 18.709 2.324 -15.699 71 HD21 ASN 9 2HD2 ASN 9 20.228 0.092 -17.349 72 HD22 ASN 9 1HD2 ASN 9 21.837 0.334 -16.871 73 HA PRO 10 HA PRO 10 15.639 3.405 -12.282 74 HB2 PRO 10 1HB PRO 10 16.486 5.954 -12.140 75 HB3 PRO 10 2HB PRO 10 17.075 4.729 -10.991 76 HG2 PRO 10 1HG PRO 10 18.370 5.736 -13.494 77 HG3 PRO 10 2HG PRO 10 19.064 5.537 -11.876 78 HD2 PRO 10 1HD PRO 10 19.431 3.699 -13.836 79 HD3 PRO 10 2HD PRO 10 19.318 3.244 -12.119 80 H ARG 11 H ARG 11 17.602 4.804 -14.909 81 HA ARG 11 HA ARG 11 15.569 6.259 -16.223 82 HB2 ARG 11 1HB ARG 11 17.236 5.069 -18.207 83 HB3 ARG 11 2HB ARG 11 17.287 6.723 -17.609 84 HG2 ARG 11 1HG ARG 11 18.837 6.109 -15.849 85 HG3 ARG 11 2HG ARG 11 18.680 4.397 -16.253 86 HD2 ARG 11 1HD ARG 11 19.552 4.940 -18.554 87 HD3 ARG 11 2HD ARG 11 19.880 6.573 -17.988 88 HE ARG 11 HE ARG 11 21.251 5.221 -16.178 89 HH11 ARG 11 1HH2 ARG 11 20.878 4.550 -19.569 90 HH12 ARG 11 2HH2 ARG 11 22.471 3.906 -19.762 91 HH21 ARG 11 1HH1 ARG 11 23.320 4.318 -16.412 92 HH22 ARG 11 2HH1 ARG 11 23.854 3.756 -17.960 93 H VAL 12 H VAL 12 16.716 2.980 -16.371 94 HA VAL 12 HA VAL 12 15.026 1.821 -18.286 95 HB VAL 12 HB VAL 12 16.511 0.930 -15.841 96 HG11 VAL 12 1HG1 VAL 12 15.729 -1.360 -16.037 97 HG12 VAL 12 2HG1 VAL 12 14.622 -0.898 -17.326 98 HG13 VAL 12 3HG1 VAL 12 14.370 -0.294 -15.691 99 HG21 VAL 12 3HG2 VAL 12 17.672 1.111 -17.985 100 HG22 VAL 12 1HG2 VAL 12 16.508 0.009 -18.717 101 HG23 VAL 12 2HG2 VAL 12 17.597 -0.570 -17.461 102 H ALA 13 H ALA 13 14.758 2.307 -14.843 103 HA ALA 13 HA ALA 13 12.214 1.193 -14.453 104 HB1 ALA 13 1HB ALA 13 14.106 1.797 -12.763 105 HB2 ALA 13 2HB ALA 13 12.431 1.997 -12.250 106 HB3 ALA 13 3HB ALA 13 13.369 3.398 -12.765 107 H GLN 14 H GLN 14 13.144 4.600 -14.358 108 HA GLN 14 HA GLN 14 10.600 5.675 -14.284 109 HB2 GLN 14 1HB GLN 14 13.051 6.789 -15.658 110 HB3 GLN 14 2HB GLN 14 11.599 7.706 -15.254 111 HG2 GLN 14 1HG GLN 14 12.006 7.615 -12.966 112 HG3 GLN 14 2HG GLN 14 12.955 6.137 -13.094 113 HE21 GLN 14 2HE2 GLN 14 15.069 6.502 -14.507 114 HE22 GLN 14 1HE2 GLN 14 15.928 7.929 -14.170 115 H ALA 15 H ALA 15 12.537 4.703 -17.101 116 HA ALA 15 HA ALA 15 10.796 5.568 -19.122 117 HB1 ALA 15 1HB ALA 15 12.840 4.792 -19.937 118 HB2 ALA 15 2HB ALA 15 11.767 3.457 -20.345 119 HB3 ALA 15 3HB ALA 15 12.814 3.347 -18.930 120 H PHE 16 H PHE 16 10.917 2.446 -17.399 121 HA PHE 16 HA PHE 16 8.730 1.245 -18.728 122 HB2 PHE 16 1HB PHE 16 10.302 -0.072 -17.418 123 HB3 PHE 16 2HB PHE 16 9.809 0.763 -15.947 124 HD1 PHE 16 HD1 PHE 16 8.088 -0.924 -18.847 125 HD2 PHE 16 HD2 PHE 16 8.292 -0.356 -14.595 126 HE1 PHE 16 HE1 PHE 16 6.307 -2.621 -18.531 127 HE2 PHE 16 HE2 PHE 16 6.523 -2.052 -14.285 128 HZ PHE 16 HZ PHE 16 5.517 -3.176 -16.253 129 H VAL 17 H VAL 17 8.858 2.523 -15.405 130 HA VAL 17 HA VAL 17 6.111 2.421 -14.951 131 HB VAL 17 HB VAL 17 6.507 3.914 -13.108 132 HG11 VAL 17 1HG1 VAL 17 9.154 2.520 -13.482 133 HG12 VAL 17 2HG1 VAL 17 7.670 1.593 -13.279 134 HG13 VAL 17 3HG1 VAL 17 8.198 2.699 -12.010 135 HG21 VAL 17 3HG2 VAL 17 8.711 5.124 -12.965 136 HG22 VAL 17 1HG2 VAL 17 7.623 5.722 -14.220 137 HG23 VAL 17 2HG2 VAL 17 8.983 4.683 -14.652 138 H ASP 18 H ASP 18 8.129 4.916 -16.483 139 HA ASP 18 HA ASP 18 6.092 6.849 -16.793 140 HB2 ASP 18 1HB ASP 18 8.390 7.475 -17.272 141 HB3 ASP 18 2HB ASP 18 8.508 6.246 -18.531 142 H TYR 19 H TYR 19 7.185 4.098 -18.679 143 HA TYR 19 HA TYR 19 5.369 4.344 -20.842 144 HB2 TYR 19 1HB TYR 19 6.916 2.754 -21.435 145 HB3 TYR 19 2HB TYR 19 7.169 2.228 -19.772 146 HD1 TYR 19 HD1 TYR 19 4.648 2.198 -22.494 147 HD2 TYR 19 HD2 TYR 19 6.162 0.228 -18.999 148 HE1 TYR 19 HE1 TYR 19 3.029 0.367 -22.841 149 HE2 TYR 19 HE2 TYR 19 4.548 -1.617 -19.341 150 HH TYR 19 HH TYR 19 2.938 -2.457 -20.653 151 H MET 20 H MET 20 5.340 2.257 -17.949 152 HA MET 20 HA MET 20 2.772 1.214 -18.177 153 HB2 MET 20 1HB MET 20 4.253 2.018 -15.668 154 HB3 MET 20 2HB MET 20 2.860 0.947 -15.721 155 HG2 MET 20 1HG MET 20 4.637 -0.066 -17.642 156 HG3 MET 20 2HG MET 20 5.633 0.330 -16.245 157 HE1 MET 20 3HE MET 20 1.798 -0.577 -16.048 158 HE2 MET 20 1HE MET 20 1.903 -2.332 -16.192 159 HE3 MET 20 2HE MET 20 2.447 -1.303 -17.512 160 H ALA 21 H ALA 21 3.918 4.177 -16.677 161 HA ALA 21 HA ALA 21 1.454 5.209 -15.799 162 HB1 ALA 21 1HB ALA 21 2.629 7.341 -15.700 163 HB2 ALA 21 2HB ALA 21 3.913 6.705 -16.729 164 HB3 ALA 21 3HB ALA 21 3.677 6.054 -15.108 165 H THR 22 H THR 22 3.052 5.143 -18.910 166 HA THR 22 HA THR 22 1.412 7.075 -20.205 167 HB THR 22 HB THR 22 3.647 5.439 -20.804 168 HG1 THR 22 HG1 THR 22 2.187 7.240 -22.441 169 HG21 THR 22 3HG2 THR 22 2.117 3.760 -21.721 170 HG22 THR 22 1HG2 THR 22 3.053 4.524 -23.004 171 HG23 THR 22 2HG2 THR 22 1.371 4.988 -22.746 172 H GLN 23 H GLN 23 1.335 3.627 -19.554 173 HA GLN 23 HA GLN 23 -1.090 3.066 -21.002 174 HB2 GLN 23 1HB GLN 23 0.315 1.546 -18.800 175 HB3 GLN 23 2HB GLN 23 -1.067 0.949 -19.713 176 HG2 GLN 23 1HG GLN 23 1.122 1.931 -21.413 177 HG3 GLN 23 2HG GLN 23 1.576 0.560 -20.405 178 HE21 GLN 23 2HE2 GLN 23 1.432 -1.233 -21.785 179 HE22 GLN 23 1HE2 GLN 23 0.081 -1.586 -22.753 180 H GLY 24 H GLY 24 -0.397 4.910 -18.423 181 HA2 GLY 24 1HA GLY 24 -1.831 6.030 -16.986 182 HA3 GLY 24 2HA GLY 24 -3.116 4.898 -17.417 183 H VAL 25 H VAL 25 -0.356 3.231 -16.915 184 HA VAL 25 HA VAL 25 -1.188 2.269 -14.269 185 HB VAL 25 HB VAL 25 1.035 1.251 -16.022 186 HG11 VAL 25 1HG1 VAL 25 -0.601 0.263 -13.733 187 HG12 VAL 25 2HG1 VAL 25 1.139 0.193 -13.977 188 HG13 VAL 25 3HG1 VAL 25 0.078 -0.893 -14.876 189 HG21 VAL 25 3HG2 VAL 25 -0.467 -0.070 -17.274 190 HG22 VAL 25 1HG2 VAL 25 -1.284 1.489 -17.201 191 HG23 VAL 25 2HG2 VAL 25 -1.787 0.181 -16.132 192 H ILE 26 H ILE 26 -0.493 3.491 -12.729 193 HA ILE 26 HA ILE 26 1.949 4.958 -12.925 194 HB ILE 26 HB ILE 26 0.318 4.664 -10.437 195 HG12 ILE 26 1HG1 ILE 26 -0.809 6.820 -11.548 196 HG13 ILE 26 2HG1 ILE 26 -0.400 5.981 -13.044 197 HG21 ILE 26 1HG2 ILE 26 2.548 5.872 -10.613 198 HG22 ILE 26 2HG2 ILE 26 1.197 6.822 -9.989 199 HG23 ILE 26 3HG2 ILE 26 1.726 7.030 -11.659 200 HD11 ILE 26 3HD1 ILE 26 -1.897 4.276 -12.658 201 HD12 ILE 26 1HD1 ILE 26 -2.708 5.535 -11.736 202 HD13 ILE 26 2HD1 ILE 26 -1.697 4.357 -10.906 203 H LEU 27 H LEU 27 3.786 3.914 -12.761 204 HA LEU 27 HA LEU 27 4.169 2.088 -10.476 205 HB2 LEU 27 1HB LEU 27 5.504 2.299 -13.128 206 HB3 LEU 27 2HB LEU 27 6.494 1.849 -11.745 207 HG LEU 27 HG LEU 27 4.072 0.356 -11.586 208 HD11 LEU 27 1HD1 LEU 27 3.550 0.168 -13.789 209 HD12 LEU 27 2HD1 LEU 27 4.961 -0.876 -13.873 210 HD13 LEU 27 3HD1 LEU 27 5.100 0.823 -14.306 211 HD21 LEU 27 3HD2 LEU 27 6.967 -0.288 -12.220 212 HD22 LEU 27 1HD2 LEU 27 5.744 -1.527 -11.943 213 HD23 LEU 27 2HD2 LEU 27 6.163 -0.399 -10.657 214 H THR 28 H THR 28 6.945 2.528 -10.287 215 HA THR 28 HA THR 28 7.782 5.160 -10.321 216 HB THR 28 HB THR 28 6.431 4.360 -7.741 217 HG1 THR 28 HG1 THR 28 5.421 5.673 -9.492 218 HG21 THR 28 3HG2 THR 28 7.495 6.480 -6.822 219 HG22 THR 28 1HG2 THR 28 8.612 6.403 -8.177 220 HG23 THR 28 2HG2 THR 28 8.567 5.093 -6.992 221 H ILE 29 H ILE 29 9.834 5.407 -9.160 222 HA ILE 29 HA ILE 29 11.111 2.792 -8.804 223 HB ILE 29 HB ILE 29 12.804 5.209 -8.777 224 HG12 ILE 29 1HG1 ILE 29 11.038 5.872 -10.410 225 HG13 ILE 29 2HG1 ILE 29 12.598 5.603 -11.180 226 HG21 ILE 29 1HG2 ILE 29 13.987 3.757 -10.515 227 HG22 ILE 29 2HG2 ILE 29 12.765 2.527 -10.173 228 HG23 ILE 29 3HG2 ILE 29 13.853 3.069 -8.892 229 HD11 ILE 29 3HD1 ILE 29 11.575 4.155 -12.560 230 HD12 ILE 29 1HD1 ILE 29 10.088 4.224 -11.622 231 HD13 ILE 29 2HD1 ILE 29 11.355 3.088 -11.173 232 H GLN 30 H GLN 30 11.744 2.097 -6.883 233 HA GLN 30 HA GLN 30 11.522 3.921 -4.584 234 HB2 GLN 30 1HB GLN 30 11.386 0.968 -4.971 235 HB3 GLN 30 2HB GLN 30 12.117 1.523 -3.473 236 HG2 GLN 30 1HG GLN 30 9.441 2.517 -4.449 237 HG3 GLN 30 2HG GLN 30 9.617 1.136 -3.372 238 HE21 GLN 30 2HE2 GLN 30 9.147 4.448 -3.385 239 HE22 GLN 30 1HE2 GLN 30 9.673 4.797 -1.810 240 H GLN 31 H GLN 31 13.344 4.886 -3.914 241 HA GLN 31 HA GLN 31 15.825 4.539 -5.097 242 HB2 GLN 31 1HB GLN 31 14.927 6.458 -3.605 243 HB3 GLN 31 2HB GLN 31 15.583 5.516 -2.268 244 HG2 GLN 31 1HG GLN 31 17.523 6.603 -2.728 245 HG3 GLN 31 2HG GLN 31 17.672 5.442 -4.045 246 HE21 GLN 31 2HE2 GLN 31 15.490 6.560 -5.668 247 HE22 GLN 31 1HE2 GLN 31 16.043 8.050 -6.261 248 H HIS 32 H HIS 32 16.953 2.745 -5.144 249 HA HIS 32 HA HIS 32 18.006 1.600 -2.712 250 HB2 HIS 32 1HB HIS 32 15.746 0.344 -4.084 251 HB3 HIS 32 2HB HIS 32 17.144 -0.726 -3.975 252 HD1 HIS 32 HD1 HIS 32 15.674 1.822 -1.517 253 HD2 HIS 32 HD2 HIS 32 16.859 -2.185 -1.644 254 HE1 HIS 32 HE1 HIS 32 15.357 0.891 0.828 255 H ASN 33 H ASN 33 19.117 -0.686 -3.645 256 HA ASN 33 HA ASN 33 21.222 0.258 -5.303 257 HB2 ASN 33 1HB ASN 33 21.775 -1.508 -3.838 258 HB3 ASN 33 2HB ASN 33 20.394 -2.476 -4.341 259 HD21 ASN 33 2HD2 ASN 33 21.067 -4.203 -5.604 260 HD22 ASN 33 1HD2 ASN 33 22.341 -4.159 -6.726 261 H GLN 34 H GLN 34 18.410 -1.824 -5.929 262 HA GLN 34 HA GLN 34 18.895 -1.494 -8.833 263 HB2 GLN 34 1HB GLN 34 17.656 -3.789 -7.297 264 HB3 GLN 34 2HB GLN 34 17.519 -3.617 -9.047 265 HG2 GLN 34 1HG GLN 34 19.844 -3.883 -9.378 266 HG3 GLN 34 2HG GLN 34 20.213 -3.535 -7.690 267 HE21 GLN 34 2HE2 GLN 34 18.408 -5.963 -9.659 268 HE22 GLN 34 1HE2 GLN 34 18.787 -7.271 -8.645 269 H SER 35 H SER 35 17.678 0.276 -9.229 270 HA SER 35 HA SER 35 15.568 1.527 -8.451 271 HB2 SER 35 1HB SER 35 15.019 0.508 -11.136 272 HB3 SER 35 2HB SER 35 15.217 2.159 -10.569 273 HG SER 35 HG SER 35 17.174 0.232 -11.246 274 H ASP 36 H ASP 36 14.472 0.134 -6.855 275 HA ASP 36 HA ASP 36 12.818 -2.030 -7.698 276 HB2 ASP 36 1HB ASP 36 12.895 -0.279 -5.277 277 HB3 ASP 36 2HB ASP 36 11.463 -1.260 -5.579 278 H VAL 37 H VAL 37 10.969 -2.003 -8.705 279 HA VAL 37 HA VAL 37 9.779 0.625 -9.230 280 HB VAL 37 HB VAL 37 8.885 -1.527 -10.964 281 HG11 VAL 37 1HG1 VAL 37 8.940 0.190 -12.461 282 HG12 VAL 37 2HG1 VAL 37 10.575 0.662 -11.996 283 HG13 VAL 37 3HG1 VAL 37 9.194 1.204 -11.043 284 HG21 VAL 37 3HG2 VAL 37 10.969 -2.051 -12.013 285 HG22 VAL 37 1HG2 VAL 37 11.243 -2.279 -10.305 286 HG23 VAL 37 2HG2 VAL 37 11.830 -0.822 -11.095 287 H TRP 38 H TRP 38 8.162 1.009 -7.986 288 HA TRP 38 HA TRP 38 6.448 -1.158 -7.012 289 HB2 TRP 38 1HB TRP 38 6.991 1.681 -6.179 290 HB3 TRP 38 2HB TRP 38 5.532 0.852 -5.634 291 HD1 TRP 38 HD1 TRP 38 9.230 -0.355 -5.927 292 HE1 TRP 38 HE1 TRP 38 9.829 -1.436 -3.652 293 HE3 TRP 38 HE3 TRP 38 4.872 0.402 -3.493 294 HZ2 TRP 38 HZ2 TRP 38 8.559 -1.911 -1.108 295 HZ3 TRP 38 HZ3 TRP 38 4.557 -0.353 -1.201 296 HH2 TRP 38 HH2 TRP 38 6.385 -1.510 0.034 297 H LEU 39 H LEU 39 4.151 -0.978 -7.143 298 HA LEU 39 HA LEU 39 3.247 0.650 -9.434 299 HB2 LEU 39 1HB LEU 39 2.841 -1.701 -9.828 300 HB3 LEU 39 2HB LEU 39 2.047 -1.868 -8.263 301 HG LEU 39 HG LEU 39 0.399 -0.105 -9.047 302 HD11 LEU 39 1HD1 LEU 39 1.804 -0.667 -11.671 303 HD12 LEU 39 2HD1 LEU 39 1.714 0.880 -10.843 304 HD13 LEU 39 3HD1 LEU 39 0.259 0.167 -11.528 305 HD21 LEU 39 3HD2 LEU 39 0.605 -2.629 -10.686 306 HD22 LEU 39 1HD2 LEU 39 -0.856 -1.692 -10.415 307 HD23 LEU 39 2HD2 LEU 39 -0.088 -2.518 -9.065 308 H ALA 40 H ALA 40 1.671 2.047 -9.174 309 HA ALA 40 HA ALA 40 0.682 2.488 -6.432 310 HB1 ALA 40 1HB ALA 40 0.770 4.701 -6.880 311 HB2 ALA 40 2HB ALA 40 0.068 4.491 -8.484 312 HB3 ALA 40 3HB ALA 40 1.796 4.237 -8.237 313 H ASP 41 H ASP 41 -0.191 2.004 -9.781 314 HA ASP 41 HA ASP 41 -3.043 2.127 -9.293 315 HB2 ASP 41 1HB ASP 41 -1.715 2.590 -11.529 316 HB3 ASP 41 2HB ASP 41 -1.823 0.848 -11.714 317 H GLU 42 H GLU 42 -2.277 0.378 -7.451 318 HA GLU 42 HA GLU 42 -1.640 -2.172 -7.871 319 HB2 GLU 42 1HB GLU 42 -3.679 -0.976 -6.057 320 HB3 GLU 42 2HB GLU 42 -3.479 -2.734 -6.110 321 HG2 GLU 42 1HG GLU 42 -1.192 -2.605 -5.541 322 HG3 GLU 42 2HG GLU 42 -1.109 -0.878 -5.869 323 H SER 43 H SER 43 -4.656 -0.779 -8.936 324 HA SER 43 HA SER 43 -6.104 -3.090 -9.580 325 HB2 SER 43 1HB SER 43 -6.154 -1.067 -11.676 326 HB3 SER 43 2HB SER 43 -7.446 -1.586 -10.599 327 HG SER 43 HG SER 43 -5.589 0.496 -10.370 328 H GLN 44 H GLN 44 -3.304 -1.650 -10.842 329 HA GLN 44 HA GLN 44 -3.167 -3.255 -13.270 330 HB2 GLN 44 1HB GLN 44 -1.559 -0.953 -12.190 331 HB3 GLN 44 2HB GLN 44 -1.209 -1.765 -13.691 332 HG2 GLN 44 1HG GLN 44 -3.697 -0.225 -12.986 333 HG3 GLN 44 2HG GLN 44 -2.499 0.200 -14.200 334 HE21 GLN 44 2HE2 GLN 44 -5.340 -0.170 -14.754 335 HE22 GLN 44 1HE2 GLN 44 -5.468 -1.486 -15.820 336 H ALA 45 H ALA 45 -2.156 -3.447 -10.068 337 HA ALA 45 HA ALA 45 0.428 -4.192 -9.863 338 HB1 ALA 45 1HB ALA 45 -0.326 -6.025 -8.330 339 HB2 ALA 45 2HB ALA 45 -1.982 -5.671 -8.833 340 HB3 ALA 45 3HB ALA 45 -1.034 -4.445 -7.989 341 H GLU 46 H GLU 46 -2.000 -6.600 -10.510 342 HA GLU 46 HA GLU 46 -0.389 -8.672 -11.362 343 HB2 GLU 46 1HB GLU 46 -2.439 -9.433 -12.544 344 HB3 GLU 46 2HB GLU 46 -2.774 -8.882 -10.900 345 HG2 GLU 46 1HG GLU 46 -3.177 -6.554 -12.033 346 HG3 GLU 46 2HG GLU 46 -3.362 -7.494 -13.511 347 H ARG 47 H ARG 47 -1.943 -6.130 -13.242 348 HA ARG 47 HA ARG 47 -1.157 -6.819 -15.811 349 HB2 ARG 47 1HB ARG 47 -2.677 -4.880 -14.904 350 HB3 ARG 47 2HB ARG 47 -1.172 -3.968 -14.912 351 HG2 ARG 47 1HG ARG 47 -1.318 -5.373 -17.378 352 HG3 ARG 47 2HG ARG 47 -2.874 -4.574 -17.125 353 HD2 ARG 47 1HD ARG 47 -1.841 -2.458 -16.812 354 HD3 ARG 47 2HD ARG 47 -0.250 -3.177 -16.641 355 HE ARG 47 HE ARG 47 -0.032 -3.153 -18.941 356 HH11 ARG 47 1HH2 ARG 47 -3.384 -2.849 -18.031 357 HH12 ARG 47 2HH2 ARG 47 -3.924 -2.472 -19.631 358 HH21 ARG 47 1HH1 ARG 47 -0.743 -2.666 -21.029 359 HH22 ARG 47 2HH1 ARG 47 -2.421 -2.361 -21.344 360 H VAL 48 H VAL 48 0.253 -4.435 -13.736 361 HA VAL 48 HA VAL 48 2.632 -4.000 -15.134 362 HB VAL 48 HB VAL 48 2.045 -3.817 -12.179 363 HG11 VAL 48 1HG1 VAL 48 4.337 -3.474 -12.436 364 HG12 VAL 48 2HG1 VAL 48 3.689 -1.844 -12.581 365 HG13 VAL 48 3HG1 VAL 48 4.151 -2.738 -14.022 366 HG21 VAL 48 3HG2 VAL 48 1.877 -1.423 -13.817 367 HG22 VAL 48 1HG2 VAL 48 0.715 -2.061 -12.660 368 HG23 VAL 48 2HG2 VAL 48 0.720 -2.646 -14.326 369 H ARG 49 H ARG 49 2.164 -5.860 -12.160 370 HA ARG 49 HA ARG 49 4.627 -7.019 -11.988 371 HB2 ARG 49 1HB ARG 49 2.326 -7.348 -10.608 372 HB3 ARG 49 2HB ARG 49 2.355 -8.874 -11.486 373 HG2 ARG 49 1HG ARG 49 4.236 -9.624 -10.415 374 HG3 ARG 49 2HG ARG 49 4.891 -8.000 -10.181 375 HD2 ARG 49 1HD ARG 49 2.475 -8.047 -8.737 376 HD3 ARG 49 2HD ARG 49 3.242 -9.593 -8.400 377 HE ARG 49 HE ARG 49 4.118 -7.017 -7.475 378 HH11 ARG 49 1HH2 ARG 49 5.146 -10.185 -8.447 379 HH12 ARG 49 2HH2 ARG 49 6.587 -10.161 -7.483 380 HH21 ARG 49 1HH1 ARG 49 5.980 -6.972 -6.219 381 HH22 ARG 49 2HH1 ARG 49 7.072 -8.327 -6.220 382 H ALA 50 H ALA 50 1.960 -7.905 -14.095 383 HA ALA 50 HA ALA 50 3.280 -10.238 -15.190 384 HB1 ALA 50 1HB ALA 50 0.789 -8.686 -15.902 385 HB2 ALA 50 2HB ALA 50 0.909 -10.324 -15.266 386 HB3 ALA 50 3HB ALA 50 1.394 -9.984 -16.926 387 H GLU 51 H GLU 51 2.547 -6.937 -16.207 388 HA GLU 51 HA GLU 51 3.433 -6.771 -18.765 389 HB2 GLU 51 1HB GLU 51 3.849 -4.873 -16.467 390 HB3 GLU 51 2HB GLU 51 4.405 -4.491 -18.086 391 HG2 GLU 51 1HG GLU 51 1.695 -5.511 -18.164 392 HG3 GLU 51 2HG GLU 51 1.801 -4.142 -17.068 393 H LEU 52 H LEU 52 5.569 -6.376 -15.947 394 HA LEU 52 HA LEU 52 7.897 -5.926 -17.049 395 HB2 LEU 52 1HB LEU 52 7.340 -7.899 -14.898 396 HB3 LEU 52 2HB LEU 52 8.982 -7.588 -15.465 397 HG LEU 52 HG LEU 52 8.133 -6.196 -13.472 398 HD11 LEU 52 1HD1 LEU 52 9.871 -5.695 -15.645 399 HD12 LEU 52 2HD1 LEU 52 9.933 -4.969 -14.049 400 HD13 LEU 52 3HD1 LEU 52 9.016 -4.193 -15.334 401 HD21 LEU 52 3HD2 LEU 52 6.686 -4.844 -15.756 402 HD22 LEU 52 1HD2 LEU 52 6.979 -4.100 -14.188 403 HD23 LEU 52 2HD2 LEU 52 5.973 -5.538 -14.304 404 H ALA 53 H ALA 53 7.545 -9.397 -16.443 405 HA ALA 53 HA ALA 53 9.396 -10.357 -18.142 406 HB1 ALA 53 1HB ALA 53 8.213 -12.399 -18.287 407 HB2 ALA 53 2HB ALA 53 6.649 -11.595 -18.162 408 HB3 ALA 53 3HB ALA 53 7.704 -11.691 -16.756 409 H ARG 54 H ARG 54 6.273 -9.064 -19.117 410 HA ARG 54 HA ARG 54 6.663 -9.801 -21.911 411 HB2 ARG 54 1HB ARG 54 4.646 -7.860 -20.757 412 HB3 ARG 54 2HB ARG 54 4.571 -8.682 -22.315 413 HG2 ARG 54 1HG ARG 54 4.047 -10.747 -21.353 414 HG3 ARG 54 2HG ARG 54 4.750 -10.313 -19.796 415 HD2 ARG 54 1HD ARG 54 2.853 -9.301 -19.064 416 HD3 ARG 54 2HD ARG 54 2.490 -8.614 -20.644 417 HE ARG 54 HE ARG 54 2.109 -11.495 -20.401 418 HH11 ARG 54 1HH2 ARG 54 0.726 -8.317 -20.231 419 HH12 ARG 54 2HH2 ARG 54 -0.898 -8.861 -20.468 420 HH21 ARG 54 1HH1 ARG 54 -0.015 -12.211 -20.740 421 HH22 ARG 54 2HH1 ARG 54 -1.317 -11.075 -20.770 422 H PHE 55 H PHE 55 6.785 -7.030 -19.867 423 HA PHE 55 HA PHE 55 7.428 -5.025 -21.718 424 HB2 PHE 55 1HB PHE 55 6.720 -4.176 -19.743 425 HB3 PHE 55 2HB PHE 55 7.423 -5.485 -18.816 426 HD1 PHE 55 HD1 PHE 55 8.552 -2.676 -20.968 427 HD2 PHE 55 HD2 PHE 55 9.150 -4.940 -17.406 428 HE1 PHE 55 HE1 PHE 55 10.466 -1.228 -20.341 429 HE2 PHE 55 HE2 PHE 55 11.036 -3.531 -16.774 430 HZ PHE 55 HZ PHE 55 11.720 -1.638 -18.246 431 H LEU 56 H LEU 56 9.241 -7.544 -20.245 432 HA LEU 56 HA LEU 56 11.835 -6.349 -20.666 433 HB2 LEU 56 1HB LEU 56 11.226 -9.263 -20.132 434 HB3 LEU 56 2HB LEU 56 12.687 -8.365 -19.736 435 HG LEU 56 HG LEU 56 10.083 -8.444 -18.355 436 HD11 LEU 56 1HD1 LEU 56 12.734 -7.724 -17.207 437 HD12 LEU 56 2HD1 LEU 56 12.387 -9.393 -17.675 438 HD13 LEU 56 3HD1 LEU 56 11.389 -8.589 -16.462 439 HD21 LEU 56 3HD2 LEU 56 11.646 -5.931 -18.830 440 HD22 LEU 56 1HD2 LEU 56 10.821 -6.168 -17.295 441 HD23 LEU 56 2HD2 LEU 56 9.908 -6.163 -18.795 442 H GLU 57 H GLU 57 10.218 -9.221 -22.009 443 HA GLU 57 HA GLU 57 12.039 -9.168 -24.293 444 HB2 GLU 57 1HB GLU 57 10.263 -11.181 -24.820 445 HB3 GLU 57 2HB GLU 57 11.777 -11.382 -23.943 446 HG2 GLU 57 1HG GLU 57 10.641 -11.141 -21.808 447 HG3 GLU 57 2HG GLU 57 9.134 -10.713 -22.618 448 H ASN 58 H ASN 58 9.176 -7.661 -23.512 449 HA ASN 58 HA ASN 58 8.653 -7.163 -26.340 450 HB2 ASN 58 1HB ASN 58 7.339 -9.264 -25.201 451 HB3 ASN 58 2HB ASN 58 6.191 -7.951 -24.969 452 HD21 ASN 58 2HD2 ASN 58 8.397 -9.050 -27.615 453 HD22 ASN 58 1HD2 ASN 58 7.239 -8.857 -28.841 454 HA PRO 59 HA PRO 59 7.437 -3.810 -23.201 455 HB2 PRO 59 1HB PRO 59 9.296 -1.947 -24.150 456 HB3 PRO 59 2HB PRO 59 9.519 -2.942 -22.702 457 HG2 PRO 59 1HG PRO 59 10.607 -3.314 -25.439 458 HG3 PRO 59 2HG PRO 59 11.338 -3.683 -23.868 459 HD2 PRO 59 1HD PRO 59 10.281 -5.620 -25.470 460 HD3 PRO 59 2HD PRO 59 10.271 -5.740 -23.699 461 H ALA 60 H ALA 60 7.743 -1.216 -24.424 462 HA ALA 60 HA ALA 60 6.842 0.130 -26.059 463 HB1 ALA 60 1HB ALA 60 8.067 -1.708 -27.487 464 HB2 ALA 60 2HB ALA 60 6.919 -0.618 -28.262 465 HB3 ALA 60 3HB ALA 60 6.425 -2.254 -27.833 466 H ASP 61 H ASP 61 5.227 -3.051 -26.105 467 HA ASP 61 HA ASP 61 2.672 -1.678 -25.537 468 HB2 ASP 61 1HB ASP 61 3.112 -2.556 -28.005 469 HB3 ASP 61 2HB ASP 61 2.653 -4.100 -27.284 470 H LEU 62 H LEU 62 1.141 -4.076 -25.532 471 HA LEU 62 HA LEU 62 2.383 -5.556 -23.298 472 HB2 LEU 62 1HB LEU 62 0.525 -3.946 -22.625 473 HB3 LEU 62 2HB LEU 62 -0.578 -4.990 -23.524 474 HG LEU 62 HG LEU 62 0.032 -6.900 -22.129 475 HD11 LEU 62 1HD1 LEU 62 2.128 -4.988 -21.204 476 HD12 LEU 62 2HD1 LEU 62 2.243 -6.723 -21.488 477 HD13 LEU 62 3HD1 LEU 62 1.477 -6.120 -20.023 478 HD21 LEU 62 3HD2 LEU 62 -1.133 -6.254 -20.207 479 HD22 LEU 62 1HD2 LEU 62 -1.610 -4.992 -21.342 480 HD23 LEU 62 2HD2 LEU 62 -0.349 -4.678 -20.150 481 H ASP 63 H ASP 63 2.524 -7.674 -23.639 482 HA ASP 63 HA ASP 63 0.838 -8.872 -25.752 483 HB2 ASP 63 1HB ASP 63 3.316 -8.826 -26.171 484 HB3 ASP 63 2HB ASP 63 3.523 -9.870 -24.767 Start of MODEL 16 1 H1 MET 1 H MET 1 0.625 2.190 -1.182 2 HA MET 1 HA MET 1 1.243 1.578 -3.505 3 HB2 MET 1 1HB MET 1 3.140 1.764 -1.185 4 HB3 MET 1 2HB MET 1 3.794 1.437 -2.789 5 HG2 MET 1 1HG MET 1 2.005 3.766 -2.041 6 HG3 MET 1 2HG MET 1 3.730 3.863 -2.383 7 HE1 MET 1 3HE MET 1 4.716 2.708 -4.213 8 HE2 MET 1 1HE MET 1 4.326 3.235 -5.856 9 HE3 MET 1 2HE MET 1 3.754 1.681 -5.268 10 H LEU 2 H LEU 2 2.387 0.053 -4.831 11 HA LEU 2 HA LEU 2 2.430 -2.682 -3.679 12 HB2 LEU 2 1HB LEU 2 0.639 -1.988 -5.408 13 HB3 LEU 2 2HB LEU 2 1.944 -2.135 -6.568 14 HG LEU 2 HG LEU 2 2.330 -4.411 -5.201 15 HD11 LEU 2 1HD1 LEU 2 -0.571 -4.669 -5.371 16 HD12 LEU 2 2HD1 LEU 2 -0.086 -3.462 -4.180 17 HD13 LEU 2 3HD1 LEU 2 0.519 -5.116 -4.057 18 HD21 LEU 2 3HD2 LEU 2 0.649 -3.676 -7.577 19 HD22 LEU 2 1HD2 LEU 2 0.728 -5.362 -7.061 20 HD23 LEU 2 2HD2 LEU 2 2.201 -4.510 -7.527 21 H MET 3 H MET 3 4.116 -4.006 -4.133 22 HA MET 3 HA MET 3 6.428 -2.795 -5.460 23 HB2 MET 3 1HB MET 3 6.405 -4.059 -3.128 24 HB3 MET 3 2HB MET 3 6.508 -5.493 -4.151 25 HG2 MET 3 1HG MET 3 8.362 -3.275 -4.823 26 HG3 MET 3 2HG MET 3 8.675 -4.121 -3.307 27 HE1 MET 3 3HE MET 3 11.016 -4.475 -4.808 28 HE2 MET 3 1HE MET 3 10.220 -3.874 -6.268 29 HE3 MET 3 2HE MET 3 11.051 -5.426 -6.290 30 H ILE 4 H ILE 4 6.765 -3.247 -7.537 31 HA ILE 4 HA ILE 4 5.443 -5.589 -8.715 32 HB ILE 4 HB ILE 4 6.720 -3.119 -9.927 33 HG12 ILE 4 1HG1 ILE 4 4.469 -2.948 -8.829 34 HG13 ILE 4 2HG1 ILE 4 4.452 -2.554 -10.547 35 HG21 ILE 4 1HG2 ILE 4 5.180 -5.068 -11.591 36 HG22 ILE 4 2HG2 ILE 4 6.844 -5.478 -11.191 37 HG23 ILE 4 3HG2 ILE 4 6.490 -3.985 -12.048 38 HD11 ILE 4 3HD1 ILE 4 3.476 -5.074 -9.196 39 HD12 ILE 4 1HD1 ILE 4 3.824 -5.030 -10.922 40 HD13 ILE 4 2HD1 ILE 4 2.583 -3.983 -10.245 41 H THR 5 H THR 5 8.511 -3.884 -9.109 42 HA THR 5 HA THR 5 10.058 -6.315 -8.915 43 HB THR 5 HB THR 5 8.981 -6.260 -11.290 44 HG1 THR 5 HG1 THR 5 10.818 -7.495 -10.899 45 HG21 THR 5 3HG2 THR 5 9.224 -4.407 -12.468 46 HG22 THR 5 1HG2 THR 5 10.979 -4.478 -12.305 47 HG23 THR 5 2HG2 THR 5 10.010 -3.639 -11.094 48 H SER 6 H SER 6 12.146 -5.371 -10.483 49 HA SER 6 HA SER 6 12.760 -2.690 -9.551 50 HB2 SER 6 1HB SER 6 15.066 -3.551 -8.882 51 HB3 SER 6 2HB SER 6 13.734 -3.786 -7.753 52 HG SER 6 HG SER 6 14.985 -5.649 -9.477 53 H PHE 7 H PHE 7 14.119 -1.650 -10.919 54 HA PHE 7 HA PHE 7 14.636 -3.080 -13.451 55 HB2 PHE 7 1HB PHE 7 14.019 -0.259 -12.673 56 HB3 PHE 7 2HB PHE 7 14.803 -0.613 -14.195 57 HD1 PHE 7 HD1 PHE 7 12.085 -2.390 -12.260 58 HD2 PHE 7 HD2 PHE 7 13.210 -0.474 -15.926 59 HE1 PHE 7 HE1 PHE 7 9.910 -2.985 -13.262 60 HE2 PHE 7 HE2 PHE 7 11.048 -1.137 -16.908 61 HZ PHE 7 HZ PHE 7 9.399 -2.368 -15.582 62 H ALA 8 H ALA 8 16.649 -3.293 -14.225 63 HA ALA 8 HA ALA 8 18.908 -3.080 -12.637 64 HB1 ALA 8 1HB ALA 8 20.143 -3.007 -14.904 65 HB2 ALA 8 2HB ALA 8 18.536 -3.114 -15.623 66 HB3 ALA 8 3HB ALA 8 19.118 -4.405 -14.572 67 H ASN 9 H ASN 9 17.213 -0.643 -14.371 68 HA ASN 9 HA ASN 9 19.185 1.355 -13.497 69 HB2 ASN 9 1HB ASN 9 18.473 0.660 -16.239 70 HB3 ASN 9 2HB ASN 9 18.229 2.363 -15.887 71 HD21 ASN 9 2HD2 ASN 9 20.405 0.698 -17.401 72 HD22 ASN 9 1HD2 ASN 9 21.852 1.352 -16.794 73 HA PRO 10 HA PRO 10 15.514 3.536 -12.276 74 HB2 PRO 10 1HB PRO 10 16.474 6.090 -12.327 75 HB3 PRO 10 2HB PRO 10 16.951 4.928 -11.069 76 HG2 PRO 10 1HG PRO 10 18.384 5.665 -13.593 77 HG3 PRO 10 2HG PRO 10 19.020 5.527 -11.942 78 HD2 PRO 10 1HD PRO 10 19.365 3.559 -13.730 79 HD3 PRO 10 2HD PRO 10 19.060 3.194 -12.011 80 H ARG 11 H ARG 11 17.414 4.371 -15.084 81 HA ARG 11 HA ARG 11 15.615 6.081 -16.423 82 HB2 ARG 11 1HB ARG 11 17.525 4.139 -17.739 83 HB3 ARG 11 2HB ARG 11 16.906 5.651 -18.395 84 HG2 ARG 11 1HG ARG 11 18.021 6.626 -16.171 85 HG3 ARG 11 2HG ARG 11 19.038 5.196 -16.371 86 HD2 ARG 11 1HD ARG 11 20.214 6.394 -17.876 87 HD3 ARG 11 2HD ARG 11 18.834 6.206 -18.948 88 HE ARG 11 HE ARG 11 19.349 8.557 -17.217 89 HH11 ARG 11 1HH2 ARG 11 17.786 7.024 -19.929 90 HH12 ARG 11 2HH2 ARG 11 17.046 8.484 -20.482 91 HH21 ARG 11 1HH1 ARG 11 18.369 10.443 -17.945 92 HH22 ARG 11 2HH1 ARG 11 17.368 10.418 -19.360 93 H VAL 12 H VAL 12 16.270 2.601 -16.900 94 HA VAL 12 HA VAL 12 14.081 2.096 -18.587 95 HB VAL 12 HB VAL 12 14.385 -0.253 -18.030 96 HG11 VAL 12 1HG1 VAL 12 16.608 1.509 -18.676 97 HG12 VAL 12 2HG1 VAL 12 16.155 -0.040 -19.388 98 HG13 VAL 12 3HG1 VAL 12 17.144 0.005 -17.931 99 HG21 VAL 12 3HG2 VAL 12 14.882 0.543 -15.480 100 HG22 VAL 12 1HG2 VAL 12 16.509 0.186 -16.028 101 HG23 VAL 12 2HG2 VAL 12 15.261 -1.057 -16.092 102 H ALA 13 H ALA 13 14.472 2.178 -15.114 103 HA ALA 13 HA ALA 13 11.985 1.152 -14.328 104 HB1 ALA 13 1HB ALA 13 14.174 1.977 -12.992 105 HB2 ALA 13 2HB ALA 13 12.598 1.838 -12.222 106 HB3 ALA 13 3HB ALA 13 13.171 3.407 -12.781 107 H GLN 14 H GLN 14 13.041 4.552 -14.433 108 HA GLN 14 HA GLN 14 10.508 5.697 -14.179 109 HB2 GLN 14 1HB GLN 14 13.057 6.694 -15.426 110 HB3 GLN 14 2HB GLN 14 11.606 7.691 -15.285 111 HG2 GLN 14 1HG GLN 14 11.679 7.719 -12.964 112 HG3 GLN 14 2HG GLN 14 12.612 6.227 -12.875 113 HE21 GLN 14 2HE2 GLN 14 14.859 6.534 -14.158 114 HE22 GLN 14 1HE2 GLN 14 15.709 7.938 -13.727 115 H ALA 15 H ALA 15 12.403 4.971 -17.116 116 HA ALA 15 HA ALA 15 10.564 5.889 -19.008 117 HB1 ALA 15 1HB ALA 15 11.553 4.058 -20.491 118 HB2 ALA 15 2HB ALA 15 12.521 3.586 -19.092 119 HB3 ALA 15 3HB ALA 15 12.710 5.196 -19.792 120 H PHE 16 H PHE 16 10.782 2.799 -17.304 121 HA PHE 16 HA PHE 16 8.595 1.534 -18.620 122 HB2 PHE 16 1HB PHE 16 10.263 0.269 -17.406 123 HB3 PHE 16 2HB PHE 16 9.804 1.030 -15.893 124 HD1 PHE 16 HD1 PHE 16 8.361 -0.958 -18.705 125 HD2 PHE 16 HD2 PHE 16 8.170 0.089 -14.545 126 HE1 PHE 16 HE1 PHE 16 6.735 -2.798 -18.318 127 HE2 PHE 16 HE2 PHE 16 6.545 -1.749 -14.160 128 HZ PHE 16 HZ PHE 16 5.811 -3.176 -16.053 129 H VAL 17 H VAL 17 8.824 2.752 -15.270 130 HA VAL 17 HA VAL 17 6.090 2.584 -14.761 131 HB VAL 17 HB VAL 17 6.471 4.075 -12.913 132 HG11 VAL 17 1HG1 VAL 17 8.104 2.809 -11.816 133 HG12 VAL 17 2HG1 VAL 17 9.134 2.730 -13.241 134 HG13 VAL 17 3HG1 VAL 17 7.677 1.742 -13.155 135 HG21 VAL 17 3HG2 VAL 17 7.596 5.889 -13.964 136 HG22 VAL 17 1HG2 VAL 17 8.901 4.840 -14.503 137 HG23 VAL 17 2HG2 VAL 17 8.739 5.228 -12.792 138 H ASP 18 H ASP 18 8.027 5.145 -16.259 139 HA ASP 18 HA ASP 18 5.913 7.012 -16.508 140 HB2 ASP 18 1HB ASP 18 8.195 7.757 -16.941 141 HB3 ASP 18 2HB ASP 18 8.359 6.587 -18.247 142 H TYR 19 H TYR 19 7.210 4.442 -18.550 143 HA TYR 19 HA TYR 19 5.423 4.649 -20.710 144 HB2 TYR 19 1HB TYR 19 7.010 3.088 -21.274 145 HB3 TYR 19 2HB TYR 19 7.222 2.561 -19.606 146 HD1 TYR 19 HD1 TYR 19 4.502 2.660 -22.138 147 HD2 TYR 19 HD2 TYR 19 6.525 0.371 -19.133 148 HE1 TYR 19 HE1 TYR 19 2.960 0.788 -22.557 149 HE2 TYR 19 HE2 TYR 19 4.980 -1.524 -19.545 150 HH TYR 19 HH TYR 19 3.090 -2.193 -20.608 151 H MET 20 H MET 20 5.348 2.435 -17.929 152 HA MET 20 HA MET 20 2.804 1.384 -18.214 153 HB2 MET 20 1HB MET 20 4.191 2.188 -15.651 154 HB3 MET 20 2HB MET 20 2.864 1.039 -15.784 155 HG2 MET 20 1HG MET 20 4.767 0.166 -17.654 156 HG3 MET 20 2HG MET 20 5.702 0.616 -16.233 157 HE1 MET 20 3HE MET 20 1.887 -0.691 -15.997 158 HE2 MET 20 1HE MET 20 2.253 -2.348 -16.480 159 HE3 MET 20 2HE MET 20 2.638 -1.012 -17.559 160 H ALA 21 H ALA 21 3.869 4.311 -16.554 161 HA ALA 21 HA ALA 21 1.368 5.255 -15.707 162 HB1 ALA 21 1HB ALA 21 3.997 6.566 -16.343 163 HB2 ALA 21 2HB ALA 21 3.256 6.290 -14.768 164 HB3 ALA 21 3HB ALA 21 2.602 7.521 -15.852 165 H THR 22 H THR 22 3.031 5.366 -18.779 166 HA THR 22 HA THR 22 1.371 7.298 -20.051 167 HB THR 22 HB THR 22 3.672 5.740 -20.640 168 HG1 THR 22 HG1 THR 22 3.105 7.996 -21.131 169 HG21 THR 22 3HG2 THR 22 3.132 4.947 -22.927 170 HG22 THR 22 1HG2 THR 22 1.429 5.285 -22.614 171 HG23 THR 22 2HG2 THR 22 2.272 4.056 -21.675 172 H GLN 23 H GLN 23 1.363 3.858 -19.468 173 HA GLN 23 HA GLN 23 -0.997 3.262 -21.029 174 HB2 GLN 23 1HB GLN 23 0.446 1.691 -18.884 175 HB3 GLN 23 2HB GLN 23 -0.924 1.090 -19.813 176 HG2 GLN 23 1HG GLN 23 1.236 2.205 -21.477 177 HG3 GLN 23 2HG GLN 23 1.725 0.807 -20.522 178 HE21 GLN 23 2HE2 GLN 23 1.071 1.156 -23.527 179 HE22 GLN 23 1HE2 GLN 23 -0.019 -0.107 -23.840 180 H GLY 24 H GLY 24 -0.462 5.086 -18.423 181 HA2 GLY 24 1HA GLY 24 -1.964 6.059 -16.955 182 HA3 GLY 24 2HA GLY 24 -3.173 4.864 -17.430 183 H VAL 25 H VAL 25 -0.437 3.229 -16.990 184 HA VAL 25 HA VAL 25 -1.201 2.230 -14.346 185 HB VAL 25 HB VAL 25 1.006 1.290 -16.161 186 HG11 VAL 25 1HG1 VAL 25 -0.493 0.260 -13.807 187 HG12 VAL 25 2HG1 VAL 25 1.216 0.114 -14.212 188 HG13 VAL 25 3HG1 VAL 25 0.028 -0.895 -15.035 189 HG21 VAL 25 3HG2 VAL 25 -0.694 -0.297 -17.094 190 HG22 VAL 25 1HG2 VAL 25 -1.001 1.384 -17.522 191 HG23 VAL 25 2HG2 VAL 25 -1.949 0.617 -16.255 192 H ILE 26 H ILE 26 -0.568 3.566 -12.848 193 HA ILE 26 HA ILE 26 1.903 4.980 -12.999 194 HB ILE 26 HB ILE 26 0.255 4.739 -10.516 195 HG12 ILE 26 1HG1 ILE 26 -0.888 6.864 -11.666 196 HG13 ILE 26 2HG1 ILE 26 -0.491 5.989 -13.142 197 HG21 ILE 26 1HG2 ILE 26 2.323 5.963 -10.393 198 HG22 ILE 26 2HG2 ILE 26 0.998 7.132 -10.393 199 HG23 ILE 26 3HG2 ILE 26 1.937 6.857 -11.863 200 HD11 ILE 26 3HD1 ILE 26 -1.718 4.367 -10.980 201 HD12 ILE 26 1HD1 ILE 26 -2.006 4.320 -12.719 202 HD13 ILE 26 2HD1 ILE 26 -2.772 5.561 -11.729 203 H LEU 27 H LEU 27 3.762 4.191 -12.572 204 HA LEU 27 HA LEU 27 4.076 2.233 -10.381 205 HB2 LEU 27 1HB LEU 27 5.412 2.475 -13.022 206 HB3 LEU 27 2HB LEU 27 6.402 2.007 -11.651 207 HG LEU 27 HG LEU 27 4.040 0.489 -11.440 208 HD11 LEU 27 1HD1 LEU 27 4.012 1.303 -13.943 209 HD12 LEU 27 2HD1 LEU 27 3.612 -0.358 -13.549 210 HD13 LEU 27 3HD1 LEU 27 5.220 0.046 -14.147 211 HD21 LEU 27 3HD2 LEU 27 6.464 -0.029 -10.846 212 HD22 LEU 27 1HD2 LEU 27 6.728 -0.356 -12.555 213 HD23 LEU 27 2HD2 LEU 27 5.599 -1.342 -11.634 214 H THR 28 H THR 28 6.847 2.602 -10.156 215 HA THR 28 HA THR 28 7.716 5.234 -10.146 216 HB THR 28 HB THR 28 6.331 4.379 -7.618 217 HG1 THR 28 HG1 THR 28 5.425 5.807 -9.313 218 HG21 THR 28 3HG2 THR 28 8.569 4.969 -6.869 219 HG22 THR 28 1HG2 THR 28 7.473 6.293 -6.481 220 HG23 THR 28 2HG2 THR 28 8.551 6.424 -7.866 221 H ILE 29 H ILE 29 9.782 5.458 -8.993 222 HA ILE 29 HA ILE 29 11.097 2.847 -8.783 223 HB ILE 29 HB ILE 29 12.699 5.334 -8.629 224 HG12 ILE 29 1HG1 ILE 29 10.948 5.970 -10.259 225 HG13 ILE 29 2HG1 ILE 29 12.502 5.733 -11.048 226 HG21 ILE 29 1HG2 ILE 29 13.960 3.367 -8.811 227 HG22 ILE 29 2HG2 ILE 29 13.890 3.930 -10.482 228 HG23 ILE 29 3HG2 ILE 29 12.825 2.629 -9.945 229 HD11 ILE 29 3HD1 ILE 29 10.016 4.115 -11.257 230 HD12 ILE 29 1HD1 ILE 29 11.535 3.220 -11.244 231 HD13 ILE 29 2HD1 ILE 29 11.244 4.450 -12.472 232 H GLN 30 H GLN 30 11.431 2.013 -6.852 233 HA GLN 30 HA GLN 30 11.471 3.777 -4.498 234 HB2 GLN 30 1HB GLN 30 11.057 0.821 -4.899 235 HB3 GLN 30 2HB GLN 30 11.550 1.435 -3.327 236 HG2 GLN 30 1HG GLN 30 9.114 2.345 -4.869 237 HG3 GLN 30 2HG GLN 30 9.099 1.240 -3.499 238 HE21 GLN 30 2HE2 GLN 30 7.622 3.614 -3.297 239 HE22 GLN 30 1HE2 GLN 30 8.388 4.663 -2.204 240 H GLN 31 H GLN 31 13.387 4.065 -3.343 241 HA GLN 31 HA GLN 31 15.762 3.079 -4.715 242 HB2 GLN 31 1HB GLN 31 15.203 5.524 -3.700 243 HB3 GLN 31 2HB GLN 31 16.109 4.818 -2.363 244 HG2 GLN 31 1HG GLN 31 17.847 5.663 -3.654 245 HG3 GLN 31 2HG GLN 31 17.748 4.022 -4.274 246 HE21 GLN 31 2HE2 GLN 31 14.965 5.492 -5.377 247 HE22 GLN 31 1HE2 GLN 31 15.521 6.039 -6.884 248 H HIS 32 H HIS 32 17.377 1.991 -3.905 249 HA HIS 32 HA HIS 32 17.632 1.169 -1.172 250 HB2 HIS 32 1HB HIS 32 16.528 -0.713 -3.239 251 HB3 HIS 32 2HB HIS 32 17.665 -1.338 -2.045 252 HD1 HIS 32 HD1 HIS 32 14.191 -1.045 -2.518 253 HD2 HIS 32 HD2 HIS 32 16.694 -0.276 0.740 254 HE1 HIS 32 HE1 HIS 32 12.718 -1.056 -0.445 255 H ASN 33 H ASN 33 18.520 -0.849 -3.833 256 HA ASN 33 HA ASN 33 21.169 0.399 -4.047 257 HB2 ASN 33 1HB ASN 33 21.237 -1.567 -2.438 258 HB3 ASN 33 2HB ASN 33 20.805 -2.594 -3.805 259 HD21 ASN 33 2HD2 ASN 33 22.623 -0.135 -5.151 260 HD22 ASN 33 1HD2 ASN 33 24.159 -0.853 -5.067 261 H GLN 34 H GLN 34 18.422 -0.351 -5.405 262 HA GLN 34 HA GLN 34 19.498 -0.483 -8.098 263 HB2 GLN 34 1HB GLN 34 17.514 -2.561 -7.128 264 HB3 GLN 34 2HB GLN 34 18.151 -2.401 -8.763 265 HG2 GLN 34 1HG GLN 34 20.408 -2.923 -7.964 266 HG3 GLN 34 2HG GLN 34 19.821 -3.012 -6.305 267 HE21 GLN 34 2HE2 GLN 34 17.691 -4.579 -6.242 268 HE22 GLN 34 1HE2 GLN 34 17.940 -6.077 -7.000 269 H SER 35 H SER 35 17.361 -0.602 -9.592 270 HA SER 35 HA SER 35 15.703 1.632 -8.686 271 HB2 SER 35 1HB SER 35 15.115 0.451 -11.295 272 HB3 SER 35 2HB SER 35 15.454 2.121 -10.865 273 HG SER 35 HG SER 35 17.173 0.044 -11.607 274 H ASP 36 H ASP 36 14.710 0.246 -6.980 275 HA ASP 36 HA ASP 36 13.039 -1.936 -7.680 276 HB2 ASP 36 1HB ASP 36 12.709 0.014 -5.397 277 HB3 ASP 36 2HB ASP 36 11.892 -1.537 -5.546 278 H VAL 37 H VAL 37 11.166 -1.926 -8.725 279 HA VAL 37 HA VAL 37 9.923 0.697 -9.199 280 HB VAL 37 HB VAL 37 9.773 -1.737 -10.984 281 HG11 VAL 37 1HG1 VAL 37 8.802 -0.355 -12.508 282 HG12 VAL 37 2HG1 VAL 37 9.754 1.039 -12.001 283 HG13 VAL 37 3HG1 VAL 37 8.327 0.562 -11.079 284 HG21 VAL 37 3HG2 VAL 37 12.083 -1.336 -10.881 285 HG22 VAL 37 1HG2 VAL 37 11.867 0.385 -10.586 286 HG23 VAL 37 2HG2 VAL 37 11.605 -0.253 -12.199 287 H TRP 38 H TRP 38 8.203 1.004 -8.108 288 HA TRP 38 HA TRP 38 6.515 -1.255 -7.271 289 HB2 TRP 38 1HB TRP 38 6.942 1.553 -6.267 290 HB3 TRP 38 2HB TRP 38 5.548 0.601 -5.762 291 HD1 TRP 38 HD1 TRP 38 9.262 -0.475 -6.219 292 HE1 TRP 38 HE1 TRP 38 10.001 -1.570 -3.999 293 HE3 TRP 38 HE3 TRP 38 5.028 0.167 -3.535 294 HZ2 TRP 38 HZ2 TRP 38 8.888 -2.107 -1.395 295 HZ3 TRP 38 HZ3 TRP 38 4.859 -0.614 -1.222 296 HH2 TRP 38 HH2 TRP 38 6.776 -1.760 -0.122 297 H LEU 39 H LEU 39 4.211 -1.014 -7.323 298 HA LEU 39 HA LEU 39 3.261 0.566 -9.646 299 HB2 LEU 39 1HB LEU 39 2.955 -2.117 -9.142 300 HB3 LEU 39 2HB LEU 39 1.470 -1.462 -8.506 301 HG LEU 39 HG LEU 39 2.502 -1.375 -11.323 302 HD11 LEU 39 1HD1 LEU 39 1.045 -3.160 -11.139 303 HD12 LEU 39 2HD1 LEU 39 -0.118 -1.883 -11.465 304 HD13 LEU 39 3HD1 LEU 39 0.155 -2.420 -9.808 305 HD21 LEU 39 3HD2 LEU 39 0.352 0.063 -11.638 306 HD22 LEU 39 1HD2 LEU 39 1.842 0.851 -11.139 307 HD23 LEU 39 2HD2 LEU 39 0.599 0.484 -9.948 308 H ALA 40 H ALA 40 1.756 2.070 -9.337 309 HA ALA 40 HA ALA 40 0.755 2.501 -6.595 310 HB1 ALA 40 1HB ALA 40 1.503 4.572 -7.246 311 HB2 ALA 40 2HB ALA 40 -0.105 4.652 -7.967 312 HB3 ALA 40 3HB ALA 40 1.287 4.226 -8.959 313 H ASP 41 H ASP 41 -0.108 2.151 -9.959 314 HA ASP 41 HA ASP 41 -2.952 2.094 -9.550 315 HB2 ASP 41 1HB ASP 41 -1.633 2.607 -11.735 316 HB3 ASP 41 2HB ASP 41 -1.505 0.869 -11.888 317 H GLU 42 H GLU 42 -2.460 0.493 -7.664 318 HA GLU 42 HA GLU 42 -1.593 -2.070 -8.020 319 HB2 GLU 42 1HB GLU 42 -3.621 -0.850 -6.212 320 HB3 GLU 42 2HB GLU 42 -3.408 -2.609 -6.222 321 HG2 GLU 42 1HG GLU 42 -1.080 -2.432 -5.745 322 HG3 GLU 42 2HG GLU 42 -1.070 -0.698 -6.048 323 H SER 43 H SER 43 -4.502 -0.691 -9.257 324 HA SER 43 HA SER 43 -5.986 -3.044 -9.765 325 HB2 SER 43 1HB SER 43 -5.957 -1.044 -11.910 326 HB3 SER 43 2HB SER 43 -7.303 -1.613 -10.931 327 HG SER 43 HG SER 43 -5.589 0.549 -10.589 328 H GLN 44 H GLN 44 -3.290 -1.458 -11.251 329 HA GLN 44 HA GLN 44 -3.066 -3.240 -13.507 330 HB2 GLN 44 1HB GLN 44 -1.707 -0.804 -12.476 331 HB3 GLN 44 2HB GLN 44 -0.948 -1.775 -13.708 332 HG2 GLN 44 1HG GLN 44 -2.531 0.230 -14.330 333 HG3 GLN 44 2HG GLN 44 -2.501 -1.232 -15.296 334 HE21 GLN 44 2HE2 GLN 44 -4.548 0.920 -13.803 335 HE22 GLN 44 1HE2 GLN 44 -5.924 -0.068 -13.680 336 H ALA 45 H ALA 45 -2.187 -3.354 -10.284 337 HA ALA 45 HA ALA 45 0.336 -4.174 -9.879 338 HB1 ALA 45 1HB ALA 45 -0.601 -5.991 -8.433 339 HB2 ALA 45 2HB ALA 45 -2.191 -5.563 -9.064 340 HB3 ALA 45 3HB ALA 45 -1.261 -4.381 -8.139 341 H GLU 46 H GLU 46 -2.077 -6.525 -10.732 342 HA GLU 46 HA GLU 46 -0.430 -8.629 -11.467 343 HB2 GLU 46 1HB GLU 46 -2.415 -9.444 -12.664 344 HB3 GLU 46 2HB GLU 46 -2.880 -8.729 -11.117 345 HG2 GLU 46 1HG GLU 46 -3.365 -6.577 -12.291 346 HG3 GLU 46 2HG GLU 46 -3.014 -7.362 -13.829 347 H ARG 47 H ARG 47 -1.746 -5.993 -13.348 348 HA ARG 47 HA ARG 47 -0.903 -6.705 -15.902 349 HB2 ARG 47 1HB ARG 47 -2.411 -4.747 -15.066 350 HB3 ARG 47 2HB ARG 47 -0.892 -3.873 -14.939 351 HG2 ARG 47 1HG ARG 47 -0.733 -5.062 -17.440 352 HG3 ARG 47 2HG ARG 47 -2.425 -4.560 -17.316 353 HD2 ARG 47 1HD ARG 47 -1.673 -2.323 -16.557 354 HD3 ARG 47 2HD ARG 47 -0.007 -2.827 -16.764 355 HE ARG 47 HE ARG 47 -0.226 -2.470 -19.040 356 HH11 ARG 47 1HH2 ARG 47 -3.332 -2.738 -17.520 357 HH12 ARG 47 2HH2 ARG 47 -4.219 -2.122 -18.870 358 HH21 ARG 47 1HH1 ARG 47 -1.398 -1.627 -20.837 359 HH22 ARG 47 2HH1 ARG 47 -3.128 -1.513 -20.748 360 H VAL 48 H VAL 48 0.502 -4.247 -13.903 361 HA VAL 48 HA VAL 48 2.926 -3.943 -15.191 362 HB VAL 48 HB VAL 48 2.351 -3.743 -12.242 363 HG11 VAL 48 1HG1 VAL 48 4.383 -2.567 -14.121 364 HG12 VAL 48 2HG1 VAL 48 4.656 -3.469 -12.637 365 HG13 VAL 48 3HG1 VAL 48 4.010 -1.841 -12.562 366 HG21 VAL 48 3HG2 VAL 48 1.488 -2.214 -14.639 367 HG22 VAL 48 1HG2 VAL 48 1.924 -1.281 -13.210 368 HG23 VAL 48 2HG2 VAL 48 0.650 -2.486 -13.121 369 H ARG 49 H ARG 49 2.334 -5.807 -12.234 370 HA ARG 49 HA ARG 49 4.794 -6.980 -11.979 371 HB2 ARG 49 1HB ARG 49 2.112 -7.636 -11.055 372 HB3 ARG 49 2HB ARG 49 3.036 -9.088 -11.402 373 HG2 ARG 49 1HG ARG 49 4.900 -7.595 -10.084 374 HG3 ARG 49 2HG ARG 49 3.416 -7.071 -9.289 375 HD2 ARG 49 1HD ARG 49 3.295 -8.987 -8.157 376 HD3 ARG 49 2HD ARG 49 3.293 -9.899 -9.659 377 HE ARG 49 HE ARG 49 5.496 -9.631 -7.857 378 HH11 ARG 49 1HH2 ARG 49 4.641 -9.756 -11.213 379 HH12 ARG 49 2HH2 ARG 49 6.144 -10.444 -11.725 380 HH21 ARG 49 1HH1 ARG 49 7.457 -10.590 -8.502 381 HH22 ARG 49 2HH1 ARG 49 7.745 -10.933 -10.177 382 H ALA 50 H ALA 50 2.198 -7.801 -14.175 383 HA ALA 50 HA ALA 50 3.541 -10.140 -15.246 384 HB1 ALA 50 1HB ALA 50 1.671 -9.928 -16.988 385 HB2 ALA 50 2HB ALA 50 1.045 -8.607 -16.003 386 HB3 ALA 50 3HB ALA 50 1.162 -10.233 -15.329 387 H GLU 51 H GLU 51 2.778 -6.829 -16.262 388 HA GLU 51 HA GLU 51 3.814 -6.672 -18.782 389 HB2 GLU 51 1HB GLU 51 4.140 -4.702 -16.523 390 HB3 GLU 51 2HB GLU 51 4.604 -4.359 -18.187 391 HG2 GLU 51 1HG GLU 51 2.010 -5.457 -18.364 392 HG3 GLU 51 2HG GLU 51 1.945 -4.348 -17.000 393 H LEU 52 H LEU 52 5.717 -6.372 -15.766 394 HA LEU 52 HA LEU 52 8.140 -5.958 -16.824 395 HB2 LEU 52 1HB LEU 52 7.365 -7.773 -14.598 396 HB3 LEU 52 2HB LEU 52 9.043 -7.664 -15.128 397 HG LEU 52 HG LEU 52 8.270 -6.086 -13.231 398 HD11 LEU 52 1HD1 LEU 52 10.047 -5.783 -15.496 399 HD12 LEU 52 2HD1 LEU 52 10.308 -5.324 -13.825 400 HD13 LEU 52 3HD1 LEU 52 9.492 -4.220 -14.923 401 HD21 LEU 52 3HD2 LEU 52 6.256 -5.161 -14.153 402 HD22 LEU 52 1HD2 LEU 52 7.066 -4.728 -15.653 403 HD23 LEU 52 2HD2 LEU 52 7.463 -3.882 -14.164 404 H ALA 53 H ALA 53 7.428 -9.350 -16.076 405 HA ALA 53 HA ALA 53 9.201 -10.611 -17.673 406 HB1 ALA 53 1HB ALA 53 6.302 -11.477 -17.741 407 HB2 ALA 53 2HB ALA 53 7.315 -11.679 -16.308 408 HB3 ALA 53 3HB ALA 53 7.751 -12.485 -17.815 409 H ARG 54 H ARG 54 6.329 -8.912 -18.812 410 HA ARG 54 HA ARG 54 6.702 -9.761 -21.579 411 HB2 ARG 54 1HB ARG 54 5.156 -7.313 -20.768 412 HB3 ARG 54 2HB ARG 54 4.847 -8.433 -22.087 413 HG2 ARG 54 1HG ARG 54 4.745 -9.729 -19.457 414 HG3 ARG 54 2HG ARG 54 3.545 -8.449 -19.644 415 HD2 ARG 54 1HD ARG 54 2.817 -10.743 -20.430 416 HD3 ARG 54 2HD ARG 54 2.657 -9.438 -21.607 417 HE ARG 54 HE ARG 54 5.147 -10.983 -21.687 418 HH11 ARG 54 1HH2 ARG 54 1.931 -10.530 -22.911 419 HH12 ARG 54 2HH2 ARG 54 2.304 -11.159 -24.488 420 HH21 ARG 54 1HH1 ARG 54 5.641 -11.819 -23.740 421 HH22 ARG 54 2HH1 ARG 54 4.398 -11.899 -24.954 422 H PHE 55 H PHE 55 6.830 -6.766 -19.847 423 HA PHE 55 HA PHE 55 8.041 -5.041 -21.540 424 HB2 PHE 55 1HB PHE 55 7.393 -4.086 -19.576 425 HB3 PHE 55 2HB PHE 55 7.856 -5.483 -18.631 426 HD1 PHE 55 HD1 PHE 55 9.485 -2.950 -20.767 427 HD2 PHE 55 HD2 PHE 55 9.542 -5.166 -17.133 428 HE1 PHE 55 HE1 PHE 55 11.609 -1.829 -20.111 429 HE2 PHE 55 HE2 PHE 55 11.646 -4.080 -16.451 430 HZ PHE 55 HZ PHE 55 12.701 -2.392 -17.957 431 H LEU 56 H LEU 56 9.382 -7.816 -19.988 432 HA LEU 56 HA LEU 56 12.147 -7.067 -20.403 433 HB2 LEU 56 1HB LEU 56 11.119 -9.817 -19.723 434 HB3 LEU 56 2HB LEU 56 12.675 -9.102 -19.326 435 HG LEU 56 HG LEU 56 10.054 -8.777 -18.029 436 HD11 LEU 56 1HD1 LEU 56 11.583 -8.525 -16.061 437 HD12 LEU 56 2HD1 LEU 56 12.917 -8.823 -17.173 438 HD13 LEU 56 3HD1 LEU 56 11.687 -10.061 -16.914 439 HD21 LEU 56 3HD2 LEU 56 11.091 -6.578 -17.026 440 HD22 LEU 56 1HD2 LEU 56 10.195 -6.508 -18.534 441 HD23 LEU 56 2HD2 LEU 56 11.954 -6.522 -18.553 442 H GLU 57 H GLU 57 10.084 -9.716 -21.594 443 HA GLU 57 HA GLU 57 11.909 -10.162 -23.855 444 HB2 GLU 57 1HB GLU 57 10.181 -12.019 -24.316 445 HB3 GLU 57 2HB GLU 57 11.209 -12.198 -22.899 446 HG2 GLU 57 1HG GLU 57 9.431 -12.124 -21.499 447 HG3 GLU 57 2HG GLU 57 8.800 -10.680 -22.291 448 H ASN 58 H ASN 58 9.265 -8.257 -23.203 449 HA ASN 58 HA ASN 58 8.670 -8.054 -26.063 450 HB2 ASN 58 1HB ASN 58 7.173 -9.663 -24.289 451 HB3 ASN 58 2HB ASN 58 6.179 -8.272 -24.688 452 HD21 ASN 58 2HD2 ASN 58 8.546 -10.183 -26.604 453 HD22 ASN 58 1HD2 ASN 58 7.468 -10.512 -27.876 454 HA PRO 59 HA PRO 59 7.915 -4.181 -23.337 455 HB2 PRO 59 1HB PRO 59 10.096 -2.734 -24.299 456 HB3 PRO 59 2HB PRO 59 10.064 -3.592 -22.749 457 HG2 PRO 59 1HG PRO 59 11.254 -4.408 -25.339 458 HG3 PRO 59 2HG PRO 59 11.828 -4.697 -23.688 459 HD2 PRO 59 1HD PRO 59 10.609 -6.633 -25.156 460 HD3 PRO 59 2HD PRO 59 10.462 -6.544 -23.387 461 H ALA 60 H ALA 60 8.550 -1.793 -24.747 462 HA ALA 60 HA ALA 60 7.953 -0.559 -26.613 463 HB1 ALA 60 1HB ALA 60 9.040 -2.825 -27.659 464 HB2 ALA 60 2HB ALA 60 8.408 -1.503 -28.640 465 HB3 ALA 60 3HB ALA 60 7.408 -2.917 -28.311 466 H ASP 61 H ASP 61 6.103 -3.580 -26.319 467 HA ASP 61 HA ASP 61 3.613 -2.004 -26.261 468 HB2 ASP 61 1HB ASP 61 4.260 -3.251 -28.549 469 HB3 ASP 61 2HB ASP 61 3.541 -4.614 -27.694 470 H LEU 62 H LEU 62 1.763 -3.726 -25.772 471 HA LEU 62 HA LEU 62 2.703 -5.188 -23.388 472 HB2 LEU 62 1HB LEU 62 0.550 -3.424 -23.804 473 HB3 LEU 62 2HB LEU 62 -0.169 -5.016 -23.591 474 HG LEU 62 HG LEU 62 1.977 -3.956 -21.739 475 HD11 LEU 62 1HD1 LEU 62 0.411 -2.433 -21.119 476 HD12 LEU 62 2HD1 LEU 62 -0.351 -3.809 -20.323 477 HD13 LEU 62 3HD1 LEU 62 -0.899 -3.303 -21.922 478 HD21 LEU 62 3HD2 LEU 62 -0.117 -6.149 -21.562 479 HD22 LEU 62 1HD2 LEU 62 0.905 -5.645 -20.214 480 HD23 LEU 62 2HD2 LEU 62 1.630 -6.365 -21.651 481 H ASP 63 H ASP 63 0.234 -6.732 -23.237 482 HA ASP 63 HA ASP 63 1.064 -9.050 -24.630 483 HB2 ASP 63 1HB ASP 63 -0.905 -8.376 -22.675 484 HB3 ASP 63 2HB ASP 63 -1.729 -9.209 -23.989 Start of MODEL 17 1 H1 MET 1 H MET 1 -0.225 2.495 -2.289 2 HA MET 1 HA MET 1 1.359 1.791 -3.902 3 HB2 MET 1 1HB MET 1 2.191 1.742 -1.011 4 HB3 MET 1 2HB MET 1 3.390 1.474 -2.274 5 HG2 MET 1 1HG MET 1 1.821 3.710 -3.080 6 HG3 MET 1 2HG MET 1 2.261 3.970 -1.394 7 HE1 MET 1 3HE MET 1 4.934 2.325 -4.476 8 HE2 MET 1 1HE MET 1 4.382 3.841 -5.192 9 HE3 MET 1 2HE MET 1 3.208 2.655 -4.622 10 H LEU 2 H LEU 2 2.584 0.155 -4.840 11 HA LEU 2 HA LEU 2 2.411 -2.533 -3.633 12 HB2 LEU 2 1HB LEU 2 0.600 -1.935 -5.357 13 HB3 LEU 2 2HB LEU 2 1.890 -2.062 -6.535 14 HG LEU 2 HG LEU 2 2.327 -4.310 -5.101 15 HD11 LEU 2 1HD1 LEU 2 0.427 -5.162 -4.168 16 HD12 LEU 2 2HD1 LEU 2 -0.619 -4.443 -5.394 17 HD13 LEU 2 3HD1 LEU 2 -0.034 -3.464 -4.046 18 HD21 LEU 2 3HD2 LEU 2 2.292 -4.430 -7.424 19 HD22 LEU 2 1HD2 LEU 2 0.727 -3.629 -7.545 20 HD23 LEU 2 2HD2 LEU 2 0.821 -5.306 -7.004 21 H MET 3 H MET 3 4.079 -3.929 -4.184 22 HA MET 3 HA MET 3 6.382 -2.696 -5.525 23 HB2 MET 3 1HB MET 3 6.431 -4.027 -3.225 24 HB3 MET 3 2HB MET 3 6.493 -5.430 -4.294 25 HG2 MET 3 1HG MET 3 8.358 -3.066 -4.585 26 HG3 MET 3 2HG MET 3 8.751 -4.481 -3.608 27 HE1 MET 3 3HE MET 3 10.931 -4.769 -6.807 28 HE2 MET 3 1HE MET 3 10.813 -4.183 -5.145 29 HE3 MET 3 2HE MET 3 10.197 -3.204 -6.472 30 H ILE 4 H ILE 4 7.119 -3.445 -7.485 31 HA ILE 4 HA ILE 4 5.581 -5.676 -8.680 32 HB ILE 4 HB ILE 4 6.565 -3.091 -9.872 33 HG12 ILE 4 1HG1 ILE 4 4.381 -3.138 -8.654 34 HG13 ILE 4 2HG1 ILE 4 4.220 -2.736 -10.363 35 HG21 ILE 4 1HG2 ILE 4 6.405 -3.899 -11.998 36 HG22 ILE 4 2HG2 ILE 4 5.094 -4.999 -11.585 37 HG23 ILE 4 3HG2 ILE 4 6.754 -5.441 -11.223 38 HD11 ILE 4 3HD1 ILE 4 3.550 -5.334 -8.982 39 HD12 ILE 4 1HD1 ILE 4 3.815 -5.262 -10.720 40 HD13 ILE 4 2HD1 ILE 4 2.513 -4.331 -9.994 41 H THR 5 H THR 5 8.579 -3.820 -9.187 42 HA THR 5 HA THR 5 10.156 -6.247 -9.289 43 HB THR 5 HB THR 5 9.011 -6.059 -11.580 44 HG1 THR 5 HG1 THR 5 11.024 -7.120 -11.262 45 HG21 THR 5 3HG2 THR 5 9.114 -4.139 -12.745 46 HG22 THR 5 1HG2 THR 5 10.853 -3.997 -12.487 47 HG23 THR 5 2HG2 THR 5 9.726 -3.383 -11.280 48 H SER 6 H SER 6 12.277 -5.297 -10.643 49 HA SER 6 HA SER 6 12.923 -2.664 -9.593 50 HB2 SER 6 1HB SER 6 14.970 -4.728 -9.107 51 HB3 SER 6 2HB SER 6 14.605 -3.251 -8.221 52 HG SER 6 HG SER 6 13.327 -4.340 -6.970 53 H PHE 7 H PHE 7 14.260 -1.588 -10.899 54 HA PHE 7 HA PHE 7 15.049 -3.020 -13.349 55 HB2 PHE 7 1HB PHE 7 14.420 -0.128 -12.765 56 HB3 PHE 7 2HB PHE 7 15.054 -0.697 -14.308 57 HD1 PHE 7 HD2 PHE 7 13.750 -3.241 -14.723 58 HD2 PHE 7 HD1 PHE 7 12.109 0.343 -13.046 59 HE1 PHE 7 HE2 PHE 7 11.490 -3.972 -15.392 60 HE2 PHE 7 HE1 PHE 7 9.859 -0.382 -13.750 61 HZ PHE 7 HZ PHE 7 9.541 -2.530 -14.916 62 H ALA 8 H ALA 8 17.093 -3.108 -14.042 63 HA ALA 8 HA ALA 8 19.250 -2.732 -12.306 64 HB1 ALA 8 1HB ALA 8 19.544 -2.468 -15.289 65 HB2 ALA 8 2HB ALA 8 19.149 -4.021 -14.554 66 HB3 ALA 8 3HB ALA 8 20.652 -3.202 -14.133 67 H ASN 9 H ASN 9 17.501 -0.514 -14.264 68 HA ASN 9 HA ASN 9 19.312 1.627 -13.431 69 HB2 ASN 9 1HB ASN 9 18.404 0.990 -16.179 70 HB3 ASN 9 2HB ASN 9 18.692 2.665 -15.726 71 HD21 ASN 9 2HD2 ASN 9 20.241 0.157 -17.189 72 HD22 ASN 9 1HD2 ASN 9 21.833 0.479 -16.707 73 HA PRO 10 HA PRO 10 15.561 3.633 -12.275 74 HB2 PRO 10 1HB PRO 10 16.432 6.196 -12.163 75 HB3 PRO 10 2HB PRO 10 16.938 4.981 -10.970 76 HG2 PRO 10 1HG PRO 10 18.371 5.925 -13.411 77 HG3 PRO 10 2HG PRO 10 18.988 5.703 -11.767 78 HD2 PRO 10 1HD PRO 10 19.410 3.864 -13.692 79 HD3 PRO 10 2HD PRO 10 19.157 3.395 -11.992 80 H ARG 11 H ARG 11 17.499 4.931 -14.967 81 HA ARG 11 HA ARG 11 15.434 6.424 -16.233 82 HB2 ARG 11 1HB ARG 11 17.333 4.950 -17.997 83 HB3 ARG 11 2HB ARG 11 16.892 6.657 -17.995 84 HG2 ARG 11 1HG ARG 11 18.206 6.552 -15.652 85 HG3 ARG 11 2HG ARG 11 19.045 5.254 -16.511 86 HD2 ARG 11 1HD ARG 11 20.211 6.792 -17.664 87 HD3 ARG 11 2HD ARG 11 18.707 7.399 -18.352 88 HE ARG 11 HE ARG 11 18.954 9.241 -16.976 89 HH11 ARG 11 1HH2 ARG 11 20.626 6.503 -15.663 90 HH12 ARG 11 2HH2 ARG 11 21.149 7.324 -14.229 91 HH21 ARG 11 1HH1 ARG 11 19.650 10.344 -15.095 92 HH22 ARG 11 2HH1 ARG 11 20.598 9.509 -13.912 93 H VAL 12 H VAL 12 16.701 3.184 -16.642 94 HA VAL 12 HA VAL 12 14.942 1.997 -18.403 95 HB VAL 12 HB VAL 12 16.445 1.096 -15.959 96 HG11 VAL 12 1HG1 VAL 12 14.308 -0.198 -16.026 97 HG12 VAL 12 2HG1 VAL 12 15.756 -1.181 -16.223 98 HG13 VAL 12 3HG1 VAL 12 14.769 -0.778 -17.625 99 HG21 VAL 12 3HG2 VAL 12 17.698 -0.220 -17.603 100 HG22 VAL 12 1HG2 VAL 12 17.650 1.482 -18.061 101 HG23 VAL 12 2HG2 VAL 12 16.602 0.320 -18.877 102 H ALA 13 H ALA 13 14.750 2.454 -14.939 103 HA ALA 13 HA ALA 13 12.225 1.288 -14.515 104 HB1 ALA 13 1HB ALA 13 13.394 3.493 -12.828 105 HB2 ALA 13 2HB ALA 13 14.118 1.889 -12.842 106 HB3 ALA 13 3HB ALA 13 12.450 2.100 -12.310 107 H GLN 14 H GLN 14 13.114 4.718 -14.378 108 HA GLN 14 HA GLN 14 10.525 5.711 -14.281 109 HB2 GLN 14 1HB GLN 14 13.016 6.941 -15.477 110 HB3 GLN 14 2HB GLN 14 11.519 7.822 -15.153 111 HG2 GLN 14 1HG GLN 14 11.771 7.693 -12.856 112 HG3 GLN 14 2HG GLN 14 12.687 6.192 -12.940 113 HE21 GLN 14 2HE2 GLN 14 14.866 6.663 -14.409 114 HE22 GLN 14 1HE2 GLN 14 15.752 7.997 -13.855 115 H ALA 15 H ALA 15 12.487 4.655 -16.999 116 HA ALA 15 HA ALA 15 10.791 5.624 -19.066 117 HB1 ALA 15 1HB ALA 15 12.010 4.190 -20.537 118 HB2 ALA 15 2HB ALA 15 12.496 3.128 -19.215 119 HB3 ALA 15 3HB ALA 15 13.172 4.753 -19.337 120 H PHE 16 H PHE 16 10.955 2.581 -17.257 121 HA PHE 16 HA PHE 16 8.863 1.248 -18.656 122 HB2 PHE 16 1HB PHE 16 10.417 -0.008 -17.245 123 HB3 PHE 16 2HB PHE 16 9.838 0.846 -15.817 124 HD1 PHE 16 HD1 PHE 16 8.341 -0.957 -18.753 125 HD2 PHE 16 HD2 PHE 16 8.240 -0.269 -14.518 126 HE1 PHE 16 HE1 PHE 16 6.597 -2.700 -18.502 127 HE2 PHE 16 HE2 PHE 16 6.506 -2.019 -14.276 128 HZ PHE 16 HZ PHE 16 5.674 -3.224 -16.272 129 H VAL 17 H VAL 17 8.905 2.633 -15.393 130 HA VAL 17 HA VAL 17 6.162 2.481 -14.974 131 HB VAL 17 HB VAL 17 6.492 4.023 -13.160 132 HG11 VAL 17 1HG1 VAL 17 8.158 2.842 -11.993 133 HG12 VAL 17 2HG1 VAL 17 9.167 2.666 -13.423 134 HG13 VAL 17 3HG1 VAL 17 7.703 1.703 -13.263 135 HG21 VAL 17 3HG2 VAL 17 7.608 5.843 -14.143 136 HG22 VAL 17 1HG2 VAL 17 8.897 4.824 -14.778 137 HG23 VAL 17 2HG2 VAL 17 8.804 5.153 -13.048 138 H ASP 18 H ASP 18 8.137 4.983 -16.542 139 HA ASP 18 HA ASP 18 6.054 6.852 -16.915 140 HB2 ASP 18 1HB ASP 18 8.257 7.643 -17.411 141 HB3 ASP 18 2HB ASP 18 8.569 6.292 -18.499 142 H TYR 19 H TYR 19 7.278 4.111 -18.757 143 HA TYR 19 HA TYR 19 5.470 4.243 -20.926 144 HB2 TYR 19 1HB TYR 19 7.043 2.655 -21.449 145 HB3 TYR 19 2HB TYR 19 7.277 2.187 -19.766 146 HD1 TYR 19 HD1 TYR 19 4.706 2.107 -22.440 147 HD2 TYR 19 HD2 TYR 19 6.369 0.139 -19.011 148 HE1 TYR 19 HE1 TYR 19 3.130 0.244 -22.755 149 HE2 TYR 19 HE2 TYR 19 4.785 -1.745 -19.329 150 HH TYR 19 HH TYR 19 3.109 -2.579 -20.575 151 H MET 20 H MET 20 5.431 2.249 -17.984 152 HA MET 20 HA MET 20 2.891 1.142 -18.167 153 HB2 MET 20 1HB MET 20 4.342 2.109 -15.704 154 HB3 MET 20 2HB MET 20 2.987 0.987 -15.713 155 HG2 MET 20 1HG MET 20 4.869 -0.001 -17.591 156 HG3 MET 20 2HG MET 20 5.775 0.419 -16.142 157 HE1 MET 20 3HE MET 20 1.897 -0.653 -15.933 158 HE2 MET 20 1HE MET 20 2.142 -2.333 -16.410 159 HE3 MET 20 2HE MET 20 2.612 -1.033 -17.497 160 H ALA 21 H ALA 21 3.939 4.173 -16.713 161 HA ALA 21 HA ALA 21 1.432 5.147 -15.911 162 HB1 ALA 21 1HB ALA 21 3.901 6.648 -16.810 163 HB2 ALA 21 2HB ALA 21 3.563 6.114 -15.163 164 HB3 ALA 21 3HB ALA 21 2.551 7.348 -15.917 165 H THR 22 H THR 22 3.140 5.137 -18.981 166 HA THR 22 HA THR 22 1.456 6.951 -20.359 167 HB THR 22 HB THR 22 3.750 5.348 -20.859 168 HG1 THR 22 HG1 THR 22 2.300 7.245 -22.379 169 HG21 THR 22 3HG2 THR 22 2.335 3.644 -21.837 170 HG22 THR 22 1HG2 THR 22 3.215 4.476 -23.113 171 HG23 THR 22 2HG2 THR 22 1.517 4.850 -22.830 172 H GLN 23 H GLN 23 1.423 3.569 -19.546 173 HA GLN 23 HA GLN 23 -0.933 2.905 -21.091 174 HB2 GLN 23 1HB GLN 23 0.507 1.405 -18.904 175 HB3 GLN 23 2HB GLN 23 -0.833 0.770 -19.852 176 HG2 GLN 23 1HG GLN 23 1.341 1.889 -21.488 177 HG3 GLN 23 2HG GLN 23 1.835 0.514 -20.506 178 HE21 GLN 23 2HE2 GLN 23 1.744 -1.309 -21.849 179 HE22 GLN 23 1HE2 GLN 23 0.446 -1.663 -22.891 180 H GLY 24 H GLY 24 -0.427 4.831 -18.578 181 HA2 GLY 24 1HA GLY 24 -1.920 5.830 -17.126 182 HA3 GLY 24 2HA GLY 24 -3.128 4.633 -17.585 183 H VAL 25 H VAL 25 -0.198 3.250 -16.941 184 HA VAL 25 HA VAL 25 -1.083 2.271 -14.305 185 HB VAL 25 HB VAL 25 1.153 1.199 -16.005 186 HG11 VAL 25 1HG1 VAL 25 0.043 -0.916 -14.872 187 HG12 VAL 25 2HG1 VAL 25 -0.532 0.294 -13.728 188 HG13 VAL 25 3HG1 VAL 25 1.196 0.090 -14.000 189 HG21 VAL 25 3HG2 VAL 25 -0.549 -0.374 -16.979 190 HG22 VAL 25 1HG2 VAL 25 -0.762 1.293 -17.502 191 HG23 VAL 25 2HG2 VAL 25 -1.812 0.622 -16.264 192 H ILE 26 H ILE 26 -0.399 3.599 -12.838 193 HA ILE 26 HA ILE 26 2.080 4.998 -13.072 194 HB ILE 26 HB ILE 26 0.545 4.824 -10.529 195 HG12 ILE 26 1HG1 ILE 26 -0.750 6.848 -11.644 196 HG13 ILE 26 2HG1 ILE 26 -0.345 6.010 -13.143 197 HG21 ILE 26 1HG2 ILE 26 2.669 6.074 -10.745 198 HG22 ILE 26 2HG2 ILE 26 1.310 7.135 -10.387 199 HG23 ILE 26 3HG2 ILE 26 1.949 7.044 -12.026 200 HD11 ILE 26 3HD1 ILE 26 -1.347 4.193 -11.064 201 HD12 ILE 26 1HD1 ILE 26 -1.856 4.358 -12.747 202 HD13 ILE 26 2HD1 ILE 26 -2.517 5.428 -11.512 203 H LEU 27 H LEU 27 3.932 4.079 -12.745 204 HA LEU 27 HA LEU 27 4.207 2.228 -10.467 205 HB2 LEU 27 1HB LEU 27 5.602 2.354 -13.086 206 HB3 LEU 27 2HB LEU 27 6.545 1.899 -11.674 207 HG LEU 27 HG LEU 27 4.058 0.516 -11.542 208 HD11 LEU 27 1HD1 LEU 27 5.185 -0.672 -13.868 209 HD12 LEU 27 2HD1 LEU 27 4.907 1.026 -14.213 210 HD13 LEU 27 3HD1 LEU 27 3.575 0.017 -13.674 211 HD21 LEU 27 3HD2 LEU 27 5.483 -1.167 -10.953 212 HD22 LEU 27 1HD2 LEU 27 6.708 0.098 -10.969 213 HD23 LEU 27 2HD2 LEU 27 6.492 -0.938 -12.381 214 H THR 28 H THR 28 6.995 2.575 -10.233 215 HA THR 28 HA THR 28 7.887 5.191 -10.236 216 HB THR 28 HB THR 28 6.412 4.396 -7.727 217 HG1 THR 28 HG1 THR 28 5.716 5.874 -9.601 218 HG21 THR 28 3HG2 THR 28 7.533 6.328 -6.604 219 HG22 THR 28 1HG2 THR 28 8.636 6.434 -7.971 220 HG23 THR 28 2HG2 THR 28 8.634 4.999 -6.950 221 H ILE 29 H ILE 29 9.947 5.380 -9.163 222 HA ILE 29 HA ILE 29 11.203 2.770 -8.768 223 HB ILE 29 HB ILE 29 12.888 5.180 -8.619 224 HG12 ILE 29 1HG1 ILE 29 11.165 5.979 -10.216 225 HG13 ILE 29 2HG1 ILE 29 12.705 5.685 -11.023 226 HG21 ILE 29 1HG2 ILE 29 13.911 3.763 -10.601 227 HG22 ILE 29 2HG2 ILE 29 12.859 2.503 -9.958 228 HG23 ILE 29 3HG2 ILE 29 14.091 3.231 -8.929 229 HD11 ILE 29 3HD1 ILE 29 11.297 3.224 -11.090 230 HD12 ILE 29 1HD1 ILE 29 11.653 4.295 -12.442 231 HD13 ILE 29 2HD1 ILE 29 10.148 4.476 -11.559 232 H GLN 30 H GLN 30 11.506 2.001 -6.794 233 HA GLN 30 HA GLN 30 11.278 3.809 -4.491 234 HB2 GLN 30 1HB GLN 30 10.593 1.025 -5.020 235 HB3 GLN 30 2HB GLN 30 11.501 1.207 -3.524 236 HG2 GLN 30 1HG GLN 30 9.028 2.790 -4.256 237 HG3 GLN 30 2HG GLN 30 9.073 1.427 -3.141 238 HE21 GLN 30 2HE2 GLN 30 8.191 3.884 -2.161 239 HE22 GLN 30 1HE2 GLN 30 9.353 4.544 -1.122 240 H GLN 31 H GLN 31 12.743 3.651 -2.724 241 HA GLN 31 HA GLN 31 15.492 3.194 -3.635 242 HB2 GLN 31 1HB GLN 31 15.039 5.353 -2.597 243 HB3 GLN 31 2HB GLN 31 14.380 4.563 -1.166 244 HG2 GLN 31 1HG GLN 31 16.483 4.754 -0.337 245 HG3 GLN 31 2HG GLN 31 16.836 3.362 -1.354 246 HE21 GLN 31 2HE2 GLN 31 16.609 4.830 -3.896 247 HE22 GLN 31 1HE2 GLN 31 17.971 5.836 -3.988 248 H HIS 32 H HIS 32 16.463 1.337 -3.175 249 HA HIS 32 HA HIS 32 16.091 0.040 -0.580 250 HB2 HIS 32 1HB HIS 32 15.163 -1.072 -3.187 251 HB3 HIS 32 2HB HIS 32 15.978 -2.175 -2.088 252 HD1 HIS 32 HD1 HIS 32 12.840 -2.175 -2.819 253 HD2 HIS 32 HD2 HIS 32 14.595 -0.691 0.677 254 HE1 HIS 32 HE1 HIS 32 11.047 -2.220 -1.018 255 H ASN 33 H ASN 33 17.381 -0.634 -3.789 256 HA ASN 33 HA ASN 33 20.129 -0.344 -2.988 257 HB2 ASN 33 1HB ASN 33 20.000 -2.528 -2.099 258 HB3 ASN 33 2HB ASN 33 18.932 -3.086 -3.384 259 HD21 ASN 33 2HD2 ASN 33 22.095 -1.337 -3.511 260 HD22 ASN 33 1HD2 ASN 33 22.846 -2.485 -4.507 261 H GLN 34 H GLN 34 17.731 -1.542 -5.234 262 HA GLN 34 HA GLN 34 19.268 -0.400 -7.484 263 HB2 GLN 34 1HB GLN 34 17.535 -2.463 -8.438 264 HB3 GLN 34 2HB GLN 34 19.291 -2.395 -8.528 265 HG2 GLN 34 1HG GLN 34 18.750 -4.422 -7.359 266 HG3 GLN 34 2HG GLN 34 19.336 -3.292 -6.141 267 HE21 GLN 34 2HE2 GLN 34 16.249 -2.356 -7.229 268 HE22 GLN 34 1HE2 GLN 34 15.326 -3.050 -5.986 269 H SER 35 H SER 35 17.538 -0.230 -9.424 270 HA SER 35 HA SER 35 15.586 1.651 -8.553 271 HB2 SER 35 1HB SER 35 15.496 0.293 -11.215 272 HB3 SER 35 2HB SER 35 15.063 1.942 -10.800 273 HG SER 35 HG SER 35 17.184 2.469 -10.610 274 H ASP 36 H ASP 36 14.648 0.063 -6.888 275 HA ASP 36 HA ASP 36 12.942 -2.048 -7.733 276 HB2 ASP 36 1HB ASP 36 13.191 -0.419 -5.268 277 HB3 ASP 36 2HB ASP 36 11.598 -1.088 -5.589 278 H VAL 37 H VAL 37 11.031 -2.003 -8.667 279 HA VAL 37 HA VAL 37 9.870 0.655 -9.151 280 HB VAL 37 HB VAL 37 8.970 -1.497 -10.903 281 HG11 VAL 37 1HG1 VAL 37 8.829 0.272 -12.321 282 HG12 VAL 37 2HG1 VAL 37 10.497 0.749 -12.006 283 HG13 VAL 37 3HG1 VAL 37 9.214 1.267 -10.920 284 HG21 VAL 37 3HG2 VAL 37 11.399 -2.123 -10.317 285 HG22 VAL 37 1HG2 VAL 37 11.857 -0.655 -11.163 286 HG23 VAL 37 2HG2 VAL 37 11.020 -1.946 -12.017 287 H TRP 38 H TRP 38 8.108 1.076 -8.100 288 HA TRP 38 HA TRP 38 6.430 -1.145 -7.140 289 HB2 TRP 38 1HB TRP 38 6.873 1.679 -6.197 290 HB3 TRP 38 2HB TRP 38 5.436 0.780 -5.721 291 HD1 TRP 38 HD1 TRP 38 9.194 -0.219 -5.932 292 HE1 TRP 38 HE1 TRP 38 9.782 -1.394 -3.707 293 HE3 TRP 38 HE3 TRP 38 4.732 0.177 -3.585 294 HZ2 TRP 38 HZ2 TRP 38 8.477 -2.059 -1.222 295 HZ3 TRP 38 HZ3 TRP 38 4.403 -0.703 -1.335 296 HH2 TRP 38 HH2 TRP 38 6.259 -1.830 -0.119 297 H LEU 39 H LEU 39 4.145 -0.914 -7.239 298 HA LEU 39 HA LEU 39 3.229 0.615 -9.606 299 HB2 LEU 39 1HB LEU 39 2.950 -2.043 -9.108 300 HB3 LEU 39 2HB LEU 39 1.462 -1.431 -8.421 301 HG LEU 39 HG LEU 39 2.444 -1.163 -11.254 302 HD11 LEU 39 1HD1 LEU 39 0.106 -2.105 -11.602 303 HD12 LEU 39 2HD1 LEU 39 0.039 -2.344 -9.867 304 HD13 LEU 39 3HD1 LEU 39 1.248 -3.192 -10.826 305 HD21 LEU 39 3HD2 LEU 39 1.533 0.973 -10.918 306 HD22 LEU 39 1HD2 LEU 39 0.356 0.390 -9.747 307 HD23 LEU 39 2HD2 LEU 39 0.138 0.048 -11.461 308 H ALA 40 H ALA 40 1.715 2.110 -9.376 309 HA ALA 40 HA ALA 40 0.706 2.651 -6.659 310 HB1 ALA 40 1HB ALA 40 1.686 4.329 -8.692 311 HB2 ALA 40 2HB ALA 40 0.868 4.827 -7.210 312 HB3 ALA 40 3HB ALA 40 -0.062 4.577 -8.687 313 H ASP 41 H ASP 41 -0.228 2.251 -10.025 314 HA ASP 41 HA ASP 41 -3.053 2.174 -9.498 315 HB2 ASP 41 1HB ASP 41 -1.627 2.510 -11.782 316 HB3 ASP 41 2HB ASP 41 -1.939 0.788 -11.892 317 H GLU 42 H GLU 42 -2.452 0.604 -7.591 318 HA GLU 42 HA GLU 42 -1.594 -1.955 -7.898 319 HB2 GLU 42 1HB GLU 42 -3.620 -0.722 -6.091 320 HB3 GLU 42 2HB GLU 42 -3.422 -2.480 -6.086 321 HG2 GLU 42 1HG GLU 42 -1.180 -2.367 -5.452 322 HG3 GLU 42 2HG GLU 42 -1.000 -0.709 -6.018 323 H SER 43 H SER 43 -4.610 -0.655 -9.019 324 HA SER 43 HA SER 43 -6.054 -2.996 -9.534 325 HB2 SER 43 1HB SER 43 -6.084 -1.087 -11.734 326 HB3 SER 43 2HB SER 43 -7.384 -1.530 -10.632 327 HG SER 43 HG SER 43 -5.571 0.570 -10.560 328 H GLN 44 H GLN 44 -3.317 -1.503 -10.973 329 HA GLN 44 HA GLN 44 -3.139 -3.295 -13.253 330 HB2 GLN 44 1HB GLN 44 -1.496 -0.967 -12.293 331 HB3 GLN 44 2HB GLN 44 -1.169 -1.859 -13.751 332 HG2 GLN 44 1HG GLN 44 -3.419 -0.005 -13.138 333 HG3 GLN 44 2HG GLN 44 -2.437 -0.113 -14.589 334 HE21 GLN 44 2HE2 GLN 44 -3.315 -1.262 -16.327 335 HE22 GLN 44 1HE2 GLN 44 -4.713 -2.223 -16.227 336 H ALA 45 H ALA 45 -2.221 -3.361 -10.055 337 HA ALA 45 HA ALA 45 0.315 -4.149 -9.667 338 HB1 ALA 45 1HB ALA 45 -0.627 -5.991 -8.207 339 HB2 ALA 45 2HB ALA 45 -2.211 -5.496 -8.796 340 HB3 ALA 45 3HB ALA 45 -1.215 -4.360 -7.890 341 H GLU 46 H GLU 46 -2.101 -6.530 -10.434 342 HA GLU 46 HA GLU 46 -0.450 -8.649 -11.125 343 HB2 GLU 46 1HB GLU 46 -2.444 -9.505 -12.276 344 HB3 GLU 46 2HB GLU 46 -2.889 -8.764 -10.738 345 HG2 GLU 46 1HG GLU 46 -3.423 -6.641 -11.944 346 HG3 GLU 46 2HG GLU 46 -3.084 -7.451 -13.475 347 H ARG 47 H ARG 47 -1.808 -6.070 -13.065 348 HA ARG 47 HA ARG 47 -1.017 -6.841 -15.624 349 HB2 ARG 47 1HB ARG 47 -2.486 -4.838 -14.717 350 HB3 ARG 47 2HB ARG 47 -0.952 -3.976 -14.800 351 HG2 ARG 47 1HG ARG 47 -0.969 -5.237 -17.222 352 HG3 ARG 47 2HG ARG 47 -2.692 -4.917 -16.984 353 HD2 ARG 47 1HD ARG 47 -1.586 -2.593 -16.080 354 HD3 ARG 47 2HD ARG 47 -0.479 -3.027 -17.372 355 HE ARG 47 HE ARG 47 -3.411 -2.708 -17.736 356 HH11 ARG 47 1HH2 ARG 47 -0.119 -2.476 -18.923 357 HH12 ARG 47 2HH2 ARG 47 -0.611 -1.792 -20.440 358 HH21 ARG 47 1HH1 ARG 47 -3.995 -1.822 -19.713 359 HH22 ARG 47 2HH1 ARG 47 -2.787 -1.413 -20.887 360 H VAL 48 H VAL 48 0.405 -4.265 -13.805 361 HA VAL 48 HA VAL 48 2.822 -4.000 -15.099 362 HB VAL 48 HB VAL 48 2.257 -3.712 -12.154 363 HG11 VAL 48 1HG1 VAL 48 4.517 -3.321 -12.406 364 HG12 VAL 48 2HG1 VAL 48 3.856 -1.720 -12.694 365 HG13 VAL 48 3HG1 VAL 48 4.339 -2.733 -14.053 366 HG21 VAL 48 3HG2 VAL 48 1.592 -2.049 -14.565 367 HG22 VAL 48 1HG2 VAL 48 1.674 -1.354 -12.955 368 HG23 VAL 48 2HG2 VAL 48 0.507 -2.620 -13.318 369 H ARG 49 H ARG 49 2.277 -5.739 -12.074 370 HA ARG 49 HA ARG 49 4.725 -6.910 -11.797 371 HB2 ARG 49 1HB ARG 49 2.755 -7.100 -10.223 372 HB3 ARG 49 2HB ARG 49 2.133 -8.381 -11.255 373 HG2 ARG 49 1HG ARG 49 3.628 -9.893 -10.470 374 HG3 ARG 49 2HG ARG 49 4.956 -8.726 -10.485 375 HD2 ARG 49 1HD ARG 49 4.634 -8.168 -8.324 376 HD3 ARG 49 2HD ARG 49 2.885 -8.091 -8.512 377 HE ARG 49 HE ARG 49 3.340 -10.760 -8.530 378 HH11 ARG 49 1HH2 ARG 49 4.437 -8.186 -6.455 379 HH12 ARG 49 2HH2 ARG 49 4.487 -9.175 -5.034 380 HH21 ARG 49 1HH1 ARG 49 3.401 -12.044 -6.669 381 HH22 ARG 49 2HH1 ARG 49 3.889 -11.356 -5.153 382 H ALA 50 H ALA 50 2.105 -7.843 -13.933 383 HA ALA 50 HA ALA 50 3.459 -10.226 -14.898 384 HB1 ALA 50 1HB ALA 50 1.043 -10.264 -14.884 385 HB2 ALA 50 2HB ALA 50 1.565 -10.221 -16.566 386 HB3 ALA 50 3HB ALA 50 0.968 -8.758 -15.792 387 H GLU 51 H GLU 51 2.625 -7.005 -16.068 388 HA GLU 51 HA GLU 51 3.493 -6.904 -18.630 389 HB2 GLU 51 1HB GLU 51 4.002 -4.907 -16.425 390 HB3 GLU 51 2HB GLU 51 4.379 -4.586 -18.115 391 HG2 GLU 51 1HG GLU 51 1.739 -5.630 -18.065 392 HG3 GLU 51 2HG GLU 51 1.827 -4.426 -16.783 393 H LEU 52 H LEU 52 5.652 -6.397 -15.847 394 HA LEU 52 HA LEU 52 7.993 -5.969 -16.964 395 HB2 LEU 52 1HB LEU 52 7.334 -7.853 -14.751 396 HB3 LEU 52 2HB LEU 52 8.997 -7.693 -15.321 397 HG LEU 52 HG LEU 52 8.336 -6.156 -13.421 398 HD11 LEU 52 1HD1 LEU 52 9.115 -4.266 -15.466 399 HD12 LEU 52 2HD1 LEU 52 9.943 -5.804 -15.692 400 HD13 LEU 52 3HD1 LEU 52 10.085 -4.946 -14.164 401 HD21 LEU 52 3HD2 LEU 52 6.135 -5.468 -14.067 402 HD22 LEU 52 1HD2 LEU 52 6.708 -4.899 -15.635 403 HD23 LEU 52 2HD2 LEU 52 7.175 -4.055 -14.166 404 H ALA 53 H ALA 53 7.188 -9.425 -16.448 405 HA ALA 53 HA ALA 53 9.136 -10.498 -18.084 406 HB1 ALA 53 1HB ALA 53 7.574 -12.414 -18.468 407 HB2 ALA 53 2HB ALA 53 6.311 -11.488 -17.659 408 HB3 ALA 53 3HB ALA 53 7.761 -11.972 -16.772 409 H ARG 54 H ARG 54 6.113 -9.004 -19.031 410 HA ARG 54 HA ARG 54 6.411 -9.832 -21.830 411 HB2 ARG 54 1HB ARG 54 4.480 -7.719 -20.917 412 HB3 ARG 54 2HB ARG 54 4.277 -8.959 -22.154 413 HG2 ARG 54 1HG ARG 54 4.587 -10.547 -19.980 414 HG3 ARG 54 2HG ARG 54 3.887 -9.131 -19.205 415 HD2 ARG 54 1HD ARG 54 2.337 -11.054 -20.202 416 HD3 ARG 54 2HD ARG 54 1.858 -9.361 -20.274 417 HE ARG 54 HE ARG 54 1.931 -9.557 -22.571 418 HH11 ARG 54 1HH2 ARG 54 4.133 -11.846 -21.160 419 HH12 ARG 54 2HH2 ARG 54 4.620 -12.509 -22.684 420 HH21 ARG 54 1HH1 ARG 54 2.503 -10.445 -24.532 421 HH22 ARG 54 2HH1 ARG 54 3.675 -11.731 -24.613 422 H PHE 55 H PHE 55 6.779 -7.103 -19.775 423 HA PHE 55 HA PHE 55 7.370 -5.126 -21.701 424 HB2 PHE 55 1HB PHE 55 6.848 -4.098 -19.766 425 HB3 PHE 55 2HB PHE 55 7.331 -5.481 -18.800 426 HD1 PHE 55 HD1 PHE 55 8.525 -2.509 -20.580 427 HD2 PHE 55 HD2 PHE 55 9.455 -5.581 -17.764 428 HE1 PHE 55 HE1 PHE 55 10.590 -1.282 -19.934 429 HE2 PHE 55 HE2 PHE 55 11.520 -4.376 -17.113 430 HZ PHE 55 HZ PHE 55 12.094 -2.218 -18.195 431 H LEU 56 H LEU 56 9.114 -7.679 -20.212 432 HA LEU 56 HA LEU 56 11.759 -6.646 -20.730 433 HB2 LEU 56 1HB LEU 56 10.607 -9.272 -19.847 434 HB3 LEU 56 2HB LEU 56 12.264 -9.189 -20.407 435 HG LEU 56 HG LEU 56 12.972 -8.280 -18.481 436 HD11 LEU 56 1HD1 LEU 56 10.662 -6.426 -18.949 437 HD12 LEU 56 2HD1 LEU 56 12.378 -6.052 -18.934 438 HD13 LEU 56 3HD1 LEU 56 11.529 -6.376 -17.422 439 HD21 LEU 56 3HD2 LEU 56 11.322 -8.430 -16.572 440 HD22 LEU 56 1HD2 LEU 56 11.490 -9.912 -17.512 441 HD23 LEU 56 2HD2 LEU 56 10.099 -8.861 -17.757 442 H GLU 57 H GLU 57 9.771 -9.252 -22.123 443 HA GLU 57 HA GLU 57 11.522 -9.457 -24.431 444 HB2 GLU 57 1HB GLU 57 9.290 -10.907 -25.071 445 HB3 GLU 57 2HB GLU 57 10.703 -11.546 -24.240 446 HG2 GLU 57 1HG GLU 57 9.666 -11.443 -22.126 447 HG3 GLU 57 2HG GLU 57 8.484 -10.246 -22.663 448 H ASN 58 H ASN 58 8.857 -7.528 -23.537 449 HA ASN 58 HA ASN 58 8.733 -6.465 -26.231 450 HB2 ASN 58 1HB ASN 58 6.933 -8.522 -25.505 451 HB3 ASN 58 2HB ASN 58 6.009 -7.027 -25.604 452 HD21 ASN 58 2HD2 ASN 58 8.841 -8.223 -27.475 453 HD22 ASN 58 1HD2 ASN 58 8.098 -8.033 -28.991 454 HA PRO 59 HA PRO 59 7.571 -3.533 -22.778 455 HB2 PRO 59 1HB PRO 59 9.530 -1.671 -23.458 456 HB3 PRO 59 2HB PRO 59 9.716 -2.902 -22.201 457 HG2 PRO 59 1HG PRO 59 10.755 -2.857 -24.971 458 HG3 PRO 59 2HG PRO 59 11.467 -3.553 -23.506 459 HD2 PRO 59 1HD PRO 59 10.243 -5.056 -25.448 460 HD3 PRO 59 2HD PRO 59 10.337 -5.550 -23.749 461 H ALA 60 H ALA 60 8.042 -0.811 -23.626 462 HA ALA 60 HA ALA 60 7.277 0.818 -25.056 463 HB1 ALA 60 1HB ALA 60 8.282 -0.878 -26.764 464 HB2 ALA 60 2HB ALA 60 7.176 0.368 -27.345 465 HB3 ALA 60 3HB ALA 60 6.598 -1.280 -27.097 466 H ASP 61 H ASP 61 5.316 -2.142 -25.430 467 HA ASP 61 HA ASP 61 2.969 -0.688 -24.445 468 HB2 ASP 61 1HB ASP 61 3.209 -0.718 -27.088 469 HB3 ASP 61 2HB ASP 61 2.568 -2.347 -26.891 470 H LEU 62 H LEU 62 1.037 -2.526 -24.788 471 HA LEU 62 HA LEU 62 2.081 -4.802 -23.235 472 HB2 LEU 62 1HB LEU 62 -0.337 -3.215 -23.068 473 HB3 LEU 62 2HB LEU 62 -0.733 -4.919 -23.274 474 HG LEU 62 HG LEU 62 0.910 -3.637 -21.078 475 HD11 LEU 62 1HD1 LEU 62 -1.655 -3.969 -21.012 476 HD12 LEU 62 2HD1 LEU 62 -0.721 -4.554 -19.635 477 HD13 LEU 62 3HD1 LEU 62 -1.293 -5.686 -20.860 478 HD21 LEU 62 3HD2 LEU 62 0.945 -6.276 -20.439 479 HD22 LEU 62 1HD2 LEU 62 2.275 -5.466 -21.268 480 HD23 LEU 62 2HD2 LEU 62 1.085 -6.389 -22.193 481 H ASP 63 H ASP 63 2.022 -6.813 -24.025 482 HA ASP 63 HA ASP 63 0.503 -7.301 -26.514 483 HB2 ASP 63 1HB ASP 63 3.109 -7.095 -26.679 484 HB3 ASP 63 2HB ASP 63 3.101 -8.698 -25.946 Start of MODEL 18 1 H1 MET 1 H MET 1 -0.417 1.244 -3.118 2 HA MET 1 HA MET 1 1.630 1.897 -4.241 3 HB2 MET 1 1HB MET 1 2.550 2.126 -1.375 4 HB3 MET 1 2HB MET 1 3.694 1.811 -2.675 5 HG2 MET 1 1HG MET 1 1.875 4.213 -2.367 6 HG3 MET 1 2HG MET 1 3.637 4.192 -2.371 7 HE1 MET 1 3HE MET 1 4.940 3.731 -5.533 8 HE2 MET 1 1HE MET 1 4.115 2.171 -5.468 9 HE3 MET 1 2HE MET 1 4.819 2.861 -4.004 10 H LEU 2 H LEU 2 2.301 0.057 -5.179 11 HA LEU 2 HA LEU 2 2.402 -2.419 -3.548 12 HB2 LEU 2 1HB LEU 2 0.568 -2.011 -5.383 13 HB3 LEU 2 2HB LEU 2 1.866 -2.473 -6.467 14 HG LEU 2 HG LEU 2 2.087 -4.341 -4.473 15 HD11 LEU 2 1HD1 LEU 2 -0.190 -3.244 -3.756 16 HD12 LEU 2 2HD1 LEU 2 -0.018 -5.000 -3.748 17 HD13 LEU 2 3HD1 LEU 2 -0.839 -4.203 -5.087 18 HD21 LEU 2 3HD2 LEU 2 0.891 -4.183 -7.203 19 HD22 LEU 2 1HD2 LEU 2 0.666 -5.675 -6.288 20 HD23 LEU 2 2HD2 LEU 2 2.294 -5.094 -6.647 21 H MET 3 H MET 3 4.001 -3.926 -4.083 22 HA MET 3 HA MET 3 6.325 -2.780 -5.420 23 HB2 MET 3 1HB MET 3 6.282 -4.141 -3.140 24 HB3 MET 3 2HB MET 3 6.338 -5.527 -4.231 25 HG2 MET 3 1HG MET 3 8.261 -3.233 -4.580 26 HG3 MET 3 2HG MET 3 8.595 -4.510 -3.415 27 HE1 MET 3 3HE MET 3 10.077 -3.485 -6.236 28 HE2 MET 3 1HE MET 3 10.802 -5.032 -6.689 29 HE3 MET 3 2HE MET 3 10.810 -4.509 -5.008 30 H ILE 4 H ILE 4 6.897 -3.336 -7.453 31 HA ILE 4 HA ILE 4 5.427 -5.581 -8.704 32 HB ILE 4 HB ILE 4 6.584 -3.045 -9.858 33 HG12 ILE 4 1HG1 ILE 4 4.347 -2.947 -8.750 34 HG13 ILE 4 2HG1 ILE 4 4.310 -2.557 -10.465 35 HG21 ILE 4 1HG2 ILE 4 5.114 -5.046 -11.537 36 HG22 ILE 4 2HG2 ILE 4 6.835 -5.272 -11.253 37 HG23 ILE 4 3HG2 ILE 4 6.258 -3.802 -12.028 38 HD11 ILE 4 3HD1 ILE 4 3.372 -5.067 -9.096 39 HD12 ILE 4 1HD1 ILE 4 3.777 -5.072 -10.812 40 HD13 ILE 4 2HD1 ILE 4 2.490 -4.025 -10.210 41 H THR 5 H THR 5 8.460 -3.800 -9.217 42 HA THR 5 HA THR 5 10.023 -6.258 -9.174 43 HB THR 5 HB THR 5 9.000 -6.105 -11.522 44 HG1 THR 5 HG1 THR 5 10.784 -7.187 -11.787 45 HG21 THR 5 3HG2 THR 5 9.798 -3.400 -11.196 46 HG22 THR 5 1HG2 THR 5 9.033 -4.139 -12.593 47 HG23 THR 5 2HG2 THR 5 10.789 -4.072 -12.489 48 H SER 6 H SER 6 12.177 -5.327 -10.514 49 HA SER 6 HA SER 6 12.869 -2.710 -9.448 50 HB2 SER 6 1HB SER 6 14.808 -4.884 -8.922 51 HB3 SER 6 2HB SER 6 14.563 -3.361 -8.080 52 HG SER 6 HG SER 6 13.171 -4.285 -6.800 53 H PHE 7 H PHE 7 14.254 -1.677 -10.771 54 HA PHE 7 HA PHE 7 15.041 -3.158 -13.195 55 HB2 PHE 7 1HB PHE 7 14.454 -0.262 -12.647 56 HB3 PHE 7 2HB PHE 7 15.133 -0.839 -14.161 57 HD1 PHE 7 HD2 PHE 7 13.799 -3.386 -14.588 58 HD2 PHE 7 HD1 PHE 7 12.191 0.266 -13.037 59 HE1 PHE 7 HE2 PHE 7 11.549 -4.071 -15.342 60 HE2 PHE 7 HE1 PHE 7 9.948 -0.398 -13.827 61 HZ PHE 7 HZ PHE 7 9.619 -2.541 -14.980 62 H ALA 8 H ALA 8 17.057 -3.282 -13.888 63 HA ALA 8 HA ALA 8 19.243 -2.978 -12.194 64 HB1 ALA 8 1HB ALA 8 19.069 -3.000 -15.219 65 HB2 ALA 8 2HB ALA 8 19.468 -4.351 -14.154 66 HB3 ALA 8 3HB ALA 8 20.598 -3.008 -14.337 67 H ASN 9 H ASN 9 17.758 -0.784 -14.495 68 HA ASN 9 HA ASN 9 19.526 1.348 -13.518 69 HB2 ASN 9 1HB ASN 9 18.522 0.770 -16.250 70 HB3 ASN 9 2HB ASN 9 18.836 2.430 -15.781 71 HD21 ASN 9 2HD2 ASN 9 20.320 -0.357 -17.036 72 HD22 ASN 9 1HD2 ASN 9 21.933 0.071 -16.728 73 HA PRO 10 HA PRO 10 15.872 3.424 -12.194 74 HB2 PRO 10 1HB PRO 10 16.746 5.978 -12.137 75 HB3 PRO 10 2HB PRO 10 17.351 4.753 -11.001 76 HG2 PRO 10 1HG PRO 10 18.578 5.725 -13.544 77 HG3 PRO 10 2HG PRO 10 19.321 5.499 -11.951 78 HD2 PRO 10 1HD PRO 10 19.595 3.664 -13.923 79 HD3 PRO 10 2HD PRO 10 19.501 3.197 -12.207 80 H ARG 11 H ARG 11 17.582 4.953 -14.953 81 HA ARG 11 HA ARG 11 15.342 6.322 -16.020 82 HB2 ARG 11 1HB ARG 11 17.361 5.031 -17.829 83 HB3 ARG 11 2HB ARG 11 16.566 6.591 -17.990 84 HG2 ARG 11 1HG ARG 11 17.857 7.205 -15.812 85 HG3 ARG 11 2HG ARG 11 18.891 5.836 -16.240 86 HD2 ARG 11 1HD ARG 11 18.734 7.044 -18.650 87 HD3 ARG 11 2HD ARG 11 18.553 8.453 -17.605 88 HE ARG 11 HE ARG 11 20.718 7.074 -16.584 89 HH11 ARG 11 1HH2 ARG 11 19.762 8.469 -19.613 90 HH12 ARG 11 2HH2 ARG 11 21.378 8.792 -20.138 91 HH21 ARG 11 1HH1 ARG 11 22.825 7.586 -17.211 92 HH22 ARG 11 2HH1 ARG 11 23.122 8.309 -18.757 93 H VAL 12 H VAL 12 16.733 3.141 -16.565 94 HA VAL 12 HA VAL 12 14.962 1.939 -18.313 95 HB VAL 12 HB VAL 12 16.602 1.077 -15.968 96 HG11 VAL 12 1HG1 VAL 12 14.754 -0.879 -17.345 97 HG12 VAL 12 2HG1 VAL 12 14.436 -0.190 -15.754 98 HG13 VAL 12 3HG1 VAL 12 15.856 -1.202 -16.009 99 HG21 VAL 12 3HG2 VAL 12 17.648 1.267 -18.145 100 HG22 VAL 12 1HG2 VAL 12 16.446 0.186 -18.846 101 HG23 VAL 12 2HG2 VAL 12 17.602 -0.427 -17.661 102 H ALA 13 H ALA 13 14.787 2.458 -14.872 103 HA ALA 13 HA ALA 13 12.252 1.281 -14.422 104 HB1 ALA 13 1HB ALA 13 14.257 1.885 -12.801 105 HB2 ALA 13 2HB ALA 13 12.602 1.936 -12.198 106 HB3 ALA 13 3HB ALA 13 13.413 3.424 -12.670 107 H GLN 14 H GLN 14 13.252 4.672 -14.200 108 HA GLN 14 HA GLN 14 10.720 5.780 -14.015 109 HB2 GLN 14 1HB GLN 14 13.162 6.967 -15.350 110 HB3 GLN 14 2HB GLN 14 11.740 7.864 -14.818 111 HG2 GLN 14 1HG GLN 14 12.227 7.593 -12.570 112 HG3 GLN 14 2HG GLN 14 13.123 6.101 -12.839 113 HE21 GLN 14 2HE2 GLN 14 15.194 6.534 -14.330 114 HE22 GLN 14 1HE2 GLN 14 16.112 7.888 -13.887 115 H ALA 15 H ALA 15 12.463 4.602 -16.805 116 HA ALA 15 HA ALA 15 10.734 5.759 -18.776 117 HB1 ALA 15 1HB ALA 15 13.067 4.892 -19.209 118 HB2 ALA 15 2HB ALA 15 11.848 4.310 -20.343 119 HB3 ALA 15 3HB ALA 15 12.421 3.260 -19.046 120 H PHE 16 H PHE 16 11.041 2.433 -17.482 121 HA PHE 16 HA PHE 16 8.832 1.301 -18.754 122 HB2 PHE 16 1HB PHE 16 10.386 -0.061 -17.466 123 HB3 PHE 16 2HB PHE 16 9.894 0.741 -15.975 124 HD1 PHE 16 HD1 PHE 16 8.222 -0.901 -18.919 125 HD2 PHE 16 HD2 PHE 16 8.329 -0.384 -14.659 126 HE1 PHE 16 HE1 PHE 16 6.444 -2.612 -18.661 127 HE2 PHE 16 HE2 PHE 16 6.563 -2.098 -14.399 128 HZ PHE 16 HZ PHE 16 5.607 -3.200 -16.407 129 H VAL 17 H VAL 17 8.936 2.485 -15.410 130 HA VAL 17 HA VAL 17 6.208 2.338 -14.930 131 HB VAL 17 HB VAL 17 6.579 3.829 -13.093 132 HG11 VAL 17 1HG1 VAL 17 7.813 1.533 -13.311 133 HG12 VAL 17 2HG1 VAL 17 8.263 2.620 -12.000 134 HG13 VAL 17 3HG1 VAL 17 9.263 2.520 -13.444 135 HG21 VAL 17 3HG2 VAL 17 9.017 4.670 -14.661 136 HG22 VAL 17 1HG2 VAL 17 8.779 5.076 -12.963 137 HG23 VAL 17 2HG2 VAL 17 7.648 5.673 -14.177 138 H ASP 18 H ASP 18 8.130 4.923 -16.453 139 HA ASP 18 HA ASP 18 5.978 6.759 -16.692 140 HB2 ASP 18 1HB ASP 18 8.265 7.515 -17.110 141 HB3 ASP 18 2HB ASP 18 8.408 6.413 -18.476 142 H TYR 19 H TYR 19 7.257 4.149 -18.687 143 HA TYR 19 HA TYR 19 5.447 4.374 -20.860 144 HB2 TYR 19 1HB TYR 19 7.066 2.857 -21.452 145 HB3 TYR 19 2HB TYR 19 7.293 2.294 -19.798 146 HD1 TYR 19 HD1 TYR 19 4.962 2.169 -22.680 147 HD2 TYR 19 HD2 TYR 19 6.223 0.307 -19.024 148 HE1 TYR 19 HE1 TYR 19 3.455 0.265 -23.138 149 HE2 TYR 19 HE2 TYR 19 4.712 -1.611 -19.484 150 HH TYR 19 HH TYR 19 3.079 -2.403 -20.820 151 H MET 20 H MET 20 5.459 2.250 -18.000 152 HA MET 20 HA MET 20 2.921 1.129 -18.241 153 HB2 MET 20 1HB MET 20 4.427 1.975 -15.764 154 HB3 MET 20 2HB MET 20 3.013 0.930 -15.757 155 HG2 MET 20 1HG MET 20 4.762 -0.142 -17.696 156 HG3 MET 20 2HG MET 20 5.756 0.236 -16.294 157 HE1 MET 20 3HE MET 20 2.006 -2.342 -16.400 158 HE2 MET 20 1HE MET 20 2.452 -0.982 -17.435 159 HE3 MET 20 2HE MET 20 1.860 -0.695 -15.805 160 H ALA 21 H ALA 21 3.994 4.124 -16.736 161 HA ALA 21 HA ALA 21 1.485 5.071 -15.875 162 HB1 ALA 21 1HB ALA 21 3.950 6.602 -16.730 163 HB2 ALA 21 2HB ALA 21 3.644 5.977 -15.114 164 HB3 ALA 21 3HB ALA 21 2.620 7.252 -15.775 165 H THR 22 H THR 22 3.143 5.069 -18.951 166 HA THR 22 HA THR 22 1.464 6.940 -20.296 167 HB THR 22 HB THR 22 3.787 5.425 -20.821 168 HG1 THR 22 HG1 THR 22 3.089 6.651 -23.028 169 HG21 THR 22 3HG2 THR 22 1.758 4.877 -22.987 170 HG22 THR 22 1HG2 THR 22 2.130 3.707 -21.721 171 HG23 THR 22 2HG2 THR 22 3.393 4.230 -22.826 172 H GLN 23 H GLN 23 1.474 3.558 -19.522 173 HA GLN 23 HA GLN 23 -0.863 2.853 -21.077 174 HB2 GLN 23 1HB GLN 23 0.743 1.447 -18.955 175 HB3 GLN 23 2HB GLN 23 -0.738 0.769 -19.628 176 HG2 GLN 23 1HG GLN 23 0.973 1.681 -21.769 177 HG3 GLN 23 2HG GLN 23 1.878 0.609 -20.702 178 HE21 GLN 23 2HE2 GLN 23 1.859 -1.153 -22.253 179 HE22 GLN 23 1HE2 GLN 23 0.429 -1.997 -22.610 180 H GLY 24 H GLY 24 -0.358 4.801 -18.570 181 HA2 GLY 24 1HA GLY 24 -1.831 5.831 -17.133 182 HA3 GLY 24 2HA GLY 24 -3.069 4.662 -17.598 183 H VAL 25 H VAL 25 -0.177 3.197 -16.928 184 HA VAL 25 HA VAL 25 -1.122 2.269 -14.293 185 HB VAL 25 HB VAL 25 1.139 1.106 -15.879 186 HG11 VAL 25 1HG1 VAL 25 0.973 0.101 -13.795 187 HG12 VAL 25 2HG1 VAL 25 -0.022 -0.960 -14.794 188 HG13 VAL 25 3HG1 VAL 25 -0.781 0.239 -13.750 189 HG21 VAL 25 3HG2 VAL 25 -1.096 -0.437 -16.499 190 HG22 VAL 25 1HG2 VAL 25 -0.288 0.684 -17.587 191 HG23 VAL 25 2HG2 VAL 25 -1.688 1.218 -16.663 192 H ILE 26 H ILE 26 -0.409 3.464 -12.778 193 HA ILE 26 HA ILE 26 2.020 4.936 -12.969 194 HB ILE 26 HB ILE 26 0.397 4.599 -10.478 195 HG12 ILE 26 1HG1 ILE 26 -0.737 6.765 -11.540 196 HG13 ILE 26 2HG1 ILE 26 -0.300 5.978 -13.057 197 HG21 ILE 26 1HG2 ILE 26 1.770 6.213 -9.779 198 HG22 ILE 26 2HG2 ILE 26 1.282 7.241 -11.127 199 HG23 ILE 26 3HG2 ILE 26 2.637 6.125 -11.311 200 HD11 ILE 26 3HD1 ILE 26 -1.576 4.233 -11.015 201 HD12 ILE 26 1HD1 ILE 26 -1.814 4.274 -12.764 202 HD13 ILE 26 2HD1 ILE 26 -2.616 5.457 -11.733 203 H LEU 27 H LEU 27 3.870 3.832 -12.838 204 HA LEU 27 HA LEU 27 4.215 2.007 -10.554 205 HB2 LEU 27 1HB LEU 27 5.549 2.183 -13.184 206 HB3 LEU 27 2HB LEU 27 6.575 1.815 -11.808 207 HG LEU 27 HG LEU 27 4.299 0.204 -11.473 208 HD11 LEU 27 1HD1 LEU 27 3.506 -0.200 -13.534 209 HD12 LEU 27 2HD1 LEU 27 5.094 -0.820 -13.985 210 HD13 LEU 27 3HD1 LEU 27 4.709 0.875 -14.230 211 HD21 LEU 27 3HD2 LEU 27 6.977 -0.553 -12.689 212 HD22 LEU 27 1HD2 LEU 27 5.908 -1.585 -11.739 213 HD23 LEU 27 2HD2 LEU 27 6.745 -0.241 -10.969 214 H THR 28 H THR 28 6.999 2.435 -10.290 215 HA THR 28 HA THR 28 7.849 5.063 -10.262 216 HB THR 28 HB THR 28 6.381 4.253 -7.750 217 HG1 THR 28 HG1 THR 28 5.448 5.578 -9.495 218 HG21 THR 28 3HG2 THR 28 8.547 4.936 -6.949 219 HG22 THR 28 1HG2 THR 28 7.446 6.288 -6.705 220 HG23 THR 28 2HG2 THR 28 8.577 6.311 -8.056 221 H ILE 29 H ILE 29 9.876 5.281 -9.165 222 HA ILE 29 HA ILE 29 11.155 2.694 -8.691 223 HB ILE 29 HB ILE 29 12.829 5.111 -8.585 224 HG12 ILE 29 1HG1 ILE 29 11.144 5.878 -10.238 225 HG13 ILE 29 2HG1 ILE 29 12.696 5.552 -11.008 226 HG21 ILE 29 1HG2 ILE 29 14.001 3.687 -10.403 227 HG22 ILE 29 2HG2 ILE 29 12.828 2.440 -9.978 228 HG23 ILE 29 3HG2 ILE 29 13.947 3.051 -8.758 229 HD11 ILE 29 3HD1 ILE 29 11.395 3.087 -11.096 230 HD12 ILE 29 1HD1 ILE 29 11.567 4.216 -12.435 231 HD13 ILE 29 2HD1 ILE 29 10.119 4.252 -11.441 232 H GLN 30 H GLN 30 11.832 2.067 -6.712 233 HA GLN 30 HA GLN 30 11.279 3.892 -4.479 234 HB2 GLN 30 1HB GLN 30 11.492 0.929 -4.802 235 HB3 GLN 30 2HB GLN 30 11.912 1.605 -3.231 236 HG2 GLN 30 1HG GLN 30 9.304 2.053 -4.713 237 HG3 GLN 30 2HG GLN 30 9.527 1.000 -3.320 238 HE21 GLN 30 2HE2 GLN 30 9.444 4.409 -4.333 239 HE22 GLN 30 1HE2 GLN 30 9.274 5.035 -2.764 240 H GLN 31 H GLN 31 12.865 4.970 -3.533 241 HA GLN 31 HA GLN 31 15.481 4.989 -4.464 242 HB2 GLN 31 1HB GLN 31 14.092 6.625 -2.873 243 HB3 GLN 31 2HB GLN 31 15.007 5.778 -1.628 244 HG2 GLN 31 1HG GLN 31 16.801 7.039 -2.107 245 HG3 GLN 31 2HG GLN 31 16.826 6.377 -3.735 246 HE21 GLN 31 2HE2 GLN 31 14.344 7.523 -4.685 247 HE22 GLN 31 1HE2 GLN 31 14.550 9.205 -4.766 248 H HIS 32 H HIS 32 16.649 3.188 -4.509 249 HA HIS 32 HA HIS 32 17.574 2.059 -1.974 250 HB2 HIS 32 1HB HIS 32 16.378 0.435 -4.241 251 HB3 HIS 32 2HB HIS 32 17.406 -0.263 -2.992 252 HD1 HIS 32 HD1 HIS 32 14.190 -0.641 -3.608 253 HD2 HIS 32 HD2 HIS 32 16.001 1.302 -0.382 254 HE1 HIS 32 HE1 HIS 32 12.477 -0.588 -1.739 255 H ASN 33 H ASN 33 19.335 0.237 -2.796 256 HA ASN 33 HA ASN 33 21.286 1.770 -4.265 257 HB2 ASN 33 1HB ASN 33 21.662 -0.105 -2.448 258 HB3 ASN 33 2HB ASN 33 21.560 -1.190 -3.832 259 HD21 ASN 33 2HD2 ASN 33 22.928 -0.102 -5.843 260 HD22 ASN 33 1HD2 ASN 33 24.503 0.351 -5.391 261 H GLN 34 H GLN 34 18.599 0.114 -5.113 262 HA GLN 34 HA GLN 34 19.510 -0.300 -7.887 263 HB2 GLN 34 1HB GLN 34 17.705 -2.121 -6.260 264 HB3 GLN 34 2HB GLN 34 17.966 -2.262 -7.995 265 HG2 GLN 34 1HG GLN 34 20.414 -2.549 -7.567 266 HG3 GLN 34 2HG GLN 34 20.079 -2.518 -5.837 267 HE21 GLN 34 2HE2 GLN 34 17.662 -4.053 -5.819 268 HE22 GLN 34 1HE2 GLN 34 18.037 -5.642 -6.278 269 H SER 35 H SER 35 17.255 -0.728 -9.177 270 HA SER 35 HA SER 35 15.590 1.614 -8.518 271 HB2 SER 35 1HB SER 35 15.316 0.281 -11.134 272 HB3 SER 35 2HB SER 35 15.366 1.994 -10.740 273 HG SER 35 HG SER 35 17.418 0.191 -11.281 274 H ASP 36 H ASP 36 14.581 0.127 -6.834 275 HA ASP 36 HA ASP 36 12.927 -2.021 -7.711 276 HB2 ASP 36 1HB ASP 36 12.867 -0.302 -5.249 277 HB3 ASP 36 2HB ASP 36 11.645 -1.534 -5.560 278 H VAL 37 H VAL 37 11.105 -1.988 -8.736 279 HA VAL 37 HA VAL 37 9.857 0.625 -9.188 280 HB VAL 37 HB VAL 37 8.968 -1.496 -10.961 281 HG11 VAL 37 1HG1 VAL 37 9.330 1.246 -10.979 282 HG12 VAL 37 2HG1 VAL 37 8.987 0.257 -12.394 283 HG13 VAL 37 3HG1 VAL 37 10.649 0.675 -11.995 284 HG21 VAL 37 3HG2 VAL 37 11.039 -2.015 -12.032 285 HG22 VAL 37 1HG2 VAL 37 11.339 -2.264 -10.328 286 HG23 VAL 37 2HG2 VAL 37 11.913 -0.800 -11.105 287 H TRP 38 H TRP 38 8.131 1.009 -8.090 288 HA TRP 38 HA TRP 38 6.449 -1.227 -7.162 289 HB2 TRP 38 1HB TRP 38 6.939 1.580 -6.194 290 HB3 TRP 38 2HB TRP 38 5.477 0.710 -5.730 291 HD1 TRP 38 HD1 TRP 38 9.183 -0.471 -5.960 292 HE1 TRP 38 HE1 TRP 38 9.739 -1.594 -3.698 293 HE3 TRP 38 HE3 TRP 38 4.778 0.256 -3.586 294 HZ2 TRP 38 HZ2 TRP 38 8.418 -2.112 -1.180 295 HZ3 TRP 38 HZ3 TRP 38 4.425 -0.528 -1.301 296 HH2 TRP 38 HH2 TRP 38 6.222 -1.720 -0.069 297 H LEU 39 H LEU 39 4.153 -0.969 -7.236 298 HA LEU 39 HA LEU 39 3.242 0.651 -9.538 299 HB2 LEU 39 1HB LEU 39 2.820 -1.689 -9.913 300 HB3 LEU 39 2HB LEU 39 2.068 -1.853 -8.330 301 HG LEU 39 HG LEU 39 0.391 -0.088 -9.086 302 HD11 LEU 39 1HD1 LEU 39 0.256 -0.236 -11.733 303 HD12 LEU 39 2HD1 LEU 39 1.991 -0.508 -11.587 304 HD13 LEU 39 3HD1 LEU 39 1.274 0.973 -10.959 305 HD21 LEU 39 3HD2 LEU 39 0.476 -2.596 -10.751 306 HD22 LEU 39 1HD2 LEU 39 -0.950 -1.713 -10.231 307 HD23 LEU 39 2HD2 LEU 39 0.023 -2.574 -9.045 308 H ALA 40 H ALA 40 1.601 2.014 -9.307 309 HA ALA 40 HA ALA 40 0.671 2.531 -6.555 310 HB1 ALA 40 1HB ALA 40 1.665 4.237 -8.553 311 HB2 ALA 40 2HB ALA 40 0.879 4.714 -7.048 312 HB3 ALA 40 3HB ALA 40 -0.076 4.521 -8.517 313 H ASP 41 H ASP 41 -0.267 2.144 -9.910 314 HA ASP 41 HA ASP 41 -3.098 2.187 -9.399 315 HB2 ASP 41 1HB ASP 41 -1.606 2.510 -11.659 316 HB3 ASP 41 2HB ASP 41 -2.067 0.831 -11.828 317 H GLU 42 H GLU 42 -2.228 0.480 -7.555 318 HA GLU 42 HA GLU 42 -1.602 -2.074 -7.912 319 HB2 GLU 42 1HB GLU 42 -3.681 -0.882 -6.132 320 HB3 GLU 42 2HB GLU 42 -3.328 -2.613 -6.085 321 HG2 GLU 42 1HG GLU 42 -1.218 -2.309 -5.272 322 HG3 GLU 42 2HG GLU 42 -0.979 -0.796 -6.136 323 H SER 43 H SER 43 -4.672 -0.753 -8.979 324 HA SER 43 HA SER 43 -6.024 -3.175 -9.516 325 HB2 SER 43 1HB SER 43 -6.112 -0.724 -11.263 326 HB3 SER 43 2HB SER 43 -7.402 -1.881 -10.949 327 HG SER 43 HG SER 43 -7.221 0.312 -9.752 328 H GLN 44 H GLN 44 -3.173 -1.920 -10.653 329 HA GLN 44 HA GLN 44 -3.181 -3.410 -13.193 330 HB2 GLN 44 1HB GLN 44 -1.624 -1.025 -12.213 331 HB3 GLN 44 2HB GLN 44 -1.223 -1.897 -13.672 332 HG2 GLN 44 1HG GLN 44 -3.954 -0.738 -13.166 333 HG3 GLN 44 2HG GLN 44 -2.678 0.160 -13.978 334 HE21 GLN 44 2HE2 GLN 44 -3.068 0.111 -16.180 335 HE22 GLN 44 1HE2 GLN 44 -3.576 -1.252 -17.054 336 H ALA 45 H ALA 45 -2.113 -3.561 -10.043 337 HA ALA 45 HA ALA 45 0.494 -4.203 -9.855 338 HB1 ALA 45 1HB ALA 45 -0.993 -4.474 -7.981 339 HB2 ALA 45 2HB ALA 45 -0.151 -6.001 -8.257 340 HB3 ALA 45 3HB ALA 45 -1.822 -5.804 -8.790 341 H GLU 46 H GLU 46 -1.819 -6.745 -10.430 342 HA GLU 46 HA GLU 46 -0.072 -8.729 -11.260 343 HB2 GLU 46 1HB GLU 46 -2.067 -9.759 -12.223 344 HB3 GLU 46 2HB GLU 46 -2.459 -9.020 -10.671 345 HG2 GLU 46 1HG GLU 46 -3.237 -6.969 -11.882 346 HG3 GLU 46 2HG GLU 46 -2.967 -7.806 -13.410 347 H ARG 47 H ARG 47 -1.802 -6.302 -13.094 348 HA ARG 47 HA ARG 47 -1.080 -7.003 -15.684 349 HB2 ARG 47 1HB ARG 47 -2.590 -5.056 -14.662 350 HB3 ARG 47 2HB ARG 47 -1.106 -4.138 -14.920 351 HG2 ARG 47 1HG ARG 47 -1.365 -5.608 -17.255 352 HG3 ARG 47 2HG ARG 47 -3.026 -5.117 -16.876 353 HD2 ARG 47 1HD ARG 47 -1.732 -2.839 -16.266 354 HD3 ARG 47 2HD ARG 47 -0.661 -3.460 -17.519 355 HE ARG 47 HE ARG 47 -3.566 -3.295 -18.037 356 HH11 ARG 47 1HH2 ARG 47 -0.305 -2.264 -18.784 357 HH12 ARG 47 2HH2 ARG 47 -0.773 -1.537 -20.289 358 HH21 ARG 47 1HH1 ARG 47 -4.132 -2.352 -19.994 359 HH22 ARG 47 2HH1 ARG 47 -2.928 -1.601 -20.986 360 H VAL 48 H VAL 48 0.281 -4.492 -13.746 361 HA VAL 48 HA VAL 48 2.595 -3.982 -15.173 362 HB VAL 48 HB VAL 48 2.047 -3.834 -12.207 363 HG11 VAL 48 1HG1 VAL 48 4.088 -2.604 -14.046 364 HG12 VAL 48 2HG1 VAL 48 4.373 -3.542 -12.592 365 HG13 VAL 48 3HG1 VAL 48 3.699 -1.921 -12.473 366 HG21 VAL 48 3HG2 VAL 48 1.856 -1.468 -13.924 367 HG22 VAL 48 1HG2 VAL 48 0.748 -2.044 -12.683 368 HG23 VAL 48 2HG2 VAL 48 0.671 -2.711 -14.314 369 H ARG 49 H ARG 49 2.317 -5.894 -12.201 370 HA ARG 49 HA ARG 49 4.840 -6.961 -12.132 371 HB2 ARG 49 1HB ARG 49 2.311 -7.636 -10.943 372 HB3 ARG 49 2HB ARG 49 3.069 -9.121 -11.503 373 HG2 ARG 49 1HG ARG 49 5.202 -8.236 -10.354 374 HG3 ARG 49 2HG ARG 49 4.113 -7.106 -9.540 375 HD2 ARG 49 1HD ARG 49 3.951 -8.849 -8.060 376 HD3 ARG 49 2HD ARG 49 2.690 -9.337 -9.184 377 HE ARG 49 HE ARG 49 4.026 -11.113 -9.847 378 HH11 ARG 49 1HH2 ARG 49 5.855 -8.819 -7.986 379 HH12 ARG 49 2HH2 ARG 49 7.270 -9.809 -7.924 380 HH21 ARG 49 1HH1 ARG 49 5.872 -12.382 -9.783 381 HH22 ARG 49 2HH1 ARG 49 7.289 -11.830 -8.948 382 H ALA 50 H ALA 50 2.158 -7.801 -14.204 383 HA ALA 50 HA ALA 50 3.501 -10.095 -15.382 384 HB1 ALA 50 1HB ALA 50 1.073 -10.135 -15.217 385 HB2 ALA 50 2HB ALA 50 1.540 -10.101 -16.915 386 HB3 ALA 50 3HB ALA 50 0.954 -8.635 -16.136 387 H GLU 51 H GLU 51 2.666 -6.766 -16.253 388 HA GLU 51 HA GLU 51 3.493 -6.599 -18.860 389 HB2 GLU 51 1HB GLU 51 3.903 -4.652 -16.596 390 HB3 GLU 51 2HB GLU 51 4.275 -4.263 -18.274 391 HG2 GLU 51 1HG GLU 51 1.706 -5.398 -18.351 392 HG3 GLU 51 2HG GLU 51 1.690 -4.349 -16.940 393 H LEU 52 H LEU 52 5.516 -6.380 -15.948 394 HA LEU 52 HA LEU 52 7.981 -5.946 -17.012 395 HB2 LEU 52 1HB LEU 52 7.087 -7.799 -14.865 396 HB3 LEU 52 2HB LEU 52 8.782 -7.689 -15.284 397 HG LEU 52 HG LEU 52 7.961 -6.231 -13.352 398 HD11 LEU 52 1HD1 LEU 52 9.157 -4.164 -14.480 399 HD12 LEU 52 2HD1 LEU 52 9.538 -5.350 -15.719 400 HD13 LEU 52 3HD1 LEU 52 10.056 -5.612 -14.054 401 HD21 LEU 52 3HD2 LEU 52 6.611 -4.837 -15.660 402 HD22 LEU 52 1HD2 LEU 52 7.073 -3.980 -14.195 403 HD23 LEU 52 2HD2 LEU 52 5.930 -5.310 -14.106 404 H ALA 53 H ALA 53 6.827 -9.271 -16.478 405 HA ALA 53 HA ALA 53 8.669 -10.560 -18.095 406 HB1 ALA 53 1HB ALA 53 5.828 -11.237 -17.393 407 HB2 ALA 53 2HB ALA 53 7.320 -11.966 -16.797 408 HB3 ALA 53 3HB ALA 53 6.786 -12.277 -18.448 409 H ARG 54 H ARG 54 6.059 -8.533 -19.067 410 HA ARG 54 HA ARG 54 6.120 -9.568 -21.820 411 HB2 ARG 54 1HB ARG 54 4.526 -7.196 -20.860 412 HB3 ARG 54 2HB ARG 54 4.199 -8.252 -22.228 413 HG2 ARG 54 1HG ARG 54 4.301 -9.833 -19.808 414 HG3 ARG 54 2HG ARG 54 3.191 -8.486 -19.576 415 HD2 ARG 54 1HD ARG 54 2.381 -10.763 -20.699 416 HD3 ARG 54 2HD ARG 54 1.732 -9.207 -21.199 417 HE ARG 54 HE ARG 54 2.628 -9.651 -23.274 418 HH11 ARG 54 1HH2 ARG 54 4.476 -11.267 -20.833 419 HH12 ARG 54 2HH2 ARG 54 5.657 -11.892 -21.936 420 HH21 ARG 54 1HH1 ARG 54 4.194 -10.466 -24.745 421 HH22 ARG 54 2HH1 ARG 54 5.515 -11.427 -24.128 422 H PHE 55 H PHE 55 6.311 -6.476 -20.196 423 HA PHE 55 HA PHE 55 7.380 -4.903 -22.177 424 HB2 PHE 55 1HB PHE 55 6.964 -3.510 -20.515 425 HB3 PHE 55 2HB PHE 55 6.897 -4.831 -19.368 426 HD1 PHE 55 HD1 PHE 55 9.651 -3.251 -21.330 427 HD2 PHE 55 HD2 PHE 55 8.110 -4.356 -17.506 428 HE1 PHE 55 HE1 PHE 55 11.741 -2.422 -20.271 429 HE2 PHE 55 HE2 PHE 55 10.183 -3.565 -16.446 430 HZ PHE 55 HZ PHE 55 12.012 -2.587 -17.806 431 H LEU 56 H LEU 56 8.895 -7.294 -20.180 432 HA LEU 56 HA LEU 56 11.607 -6.512 -20.658 433 HB2 LEU 56 1HB LEU 56 10.246 -8.955 -19.591 434 HB3 LEU 56 2HB LEU 56 11.972 -8.969 -19.922 435 HG LEU 56 HG LEU 56 12.456 -7.626 -18.155 436 HD11 LEU 56 1HD1 LEU 56 9.844 -6.202 -18.754 437 HD12 LEU 56 2HD1 LEU 56 11.477 -5.602 -19.032 438 HD13 LEU 56 3HD1 LEU 56 10.878 -5.796 -17.392 439 HD21 LEU 56 3HD2 LEU 56 11.411 -9.002 -16.701 440 HD22 LEU 56 1HD2 LEU 56 9.966 -9.095 -17.698 441 HD23 LEU 56 2HD2 LEU 56 10.184 -7.745 -16.593 442 H GLU 57 H GLU 57 9.668 -9.239 -21.875 443 HA GLU 57 HA GLU 57 11.635 -9.711 -23.982 444 HB2 GLU 57 1HB GLU 57 9.730 -11.442 -24.627 445 HB3 GLU 57 2HB GLU 57 10.867 -11.781 -23.329 446 HG2 GLU 57 1HG GLU 57 9.255 -11.622 -21.717 447 HG3 GLU 57 2HG GLU 57 8.453 -10.275 -22.524 448 H ASN 58 H ASN 58 8.737 -7.947 -23.564 449 HA ASN 58 HA ASN 58 8.667 -7.481 -26.460 450 HB2 ASN 58 1HB ASN 58 6.655 -9.011 -24.899 451 HB3 ASN 58 2HB ASN 58 6.081 -7.959 -26.191 452 HD21 ASN 58 2HD2 ASN 58 7.242 -11.060 -25.559 453 HD22 ASN 58 1HD2 ASN 58 7.677 -11.488 -27.148 454 HA PRO 59 HA PRO 59 7.324 -3.826 -23.798 455 HB2 PRO 59 1HB PRO 59 9.245 -2.120 -24.879 456 HB3 PRO 59 2HB PRO 59 9.407 -2.963 -23.329 457 HG2 PRO 59 1HG PRO 59 10.571 -3.624 -25.975 458 HG3 PRO 59 2HG PRO 59 11.247 -3.849 -24.354 459 HD2 PRO 59 1HD PRO 59 10.194 -5.905 -25.813 460 HD3 PRO 59 2HD PRO 59 10.163 -5.877 -24.041 461 H ALA 60 H ALA 60 7.689 -1.386 -25.312 462 HA ALA 60 HA ALA 60 6.819 -0.236 -27.106 463 HB1 ALA 60 1HB ALA 60 8.182 -2.081 -28.323 464 HB2 ALA 60 2HB ALA 60 6.934 -1.238 -29.237 465 HB3 ALA 60 3HB ALA 60 6.618 -2.850 -28.599 466 H ASP 61 H ASP 61 5.335 -3.453 -26.904 467 HA ASP 61 HA ASP 61 2.677 -2.163 -26.711 468 HB2 ASP 61 1HB ASP 61 3.365 -3.699 -28.807 469 HB3 ASP 61 2HB ASP 61 2.912 -4.977 -27.683 470 H LEU 62 H LEU 62 1.234 -4.397 -25.953 471 HA LEU 62 HA LEU 62 2.541 -5.121 -23.403 472 HB2 LEU 62 1HB LEU 62 0.264 -3.656 -23.661 473 HB3 LEU 62 2HB LEU 62 -0.403 -5.279 -23.534 474 HG LEU 62 HG LEU 62 1.403 -3.862 -21.568 475 HD11 LEU 62 1HD1 LEU 62 -0.479 -4.487 -20.024 476 HD12 LEU 62 2HD1 LEU 62 -1.367 -5.075 -21.431 477 HD13 LEU 62 3HD1 LEU 62 -0.945 -3.368 -21.307 478 HD21 LEU 62 3HD2 LEU 62 0.625 -6.791 -21.706 479 HD22 LEU 62 1HD2 LEU 62 1.279 -6.018 -20.265 480 HD23 LEU 62 2HD2 LEU 62 2.257 -6.125 -21.724 481 H ASP 63 H ASP 63 3.059 -6.657 -25.613 482 HA ASP 63 HA ASP 63 2.246 -9.237 -24.757 483 HB2 ASP 63 1HB ASP 63 0.184 -8.382 -26.015 484 HB3 ASP 63 2HB ASP 63 1.163 -8.528 -27.472 Start of MODEL 19 1 H1 MET 1 H MET 1 0.124 2.280 -1.931 2 HA MET 1 HA MET 1 1.376 1.763 -4.294 3 HB2 MET 1 1HB MET 1 2.283 1.919 -1.415 4 HB3 MET 1 2HB MET 1 3.453 1.640 -2.703 5 HG2 MET 1 1HG MET 1 1.563 4.001 -2.458 6 HG3 MET 1 2HG MET 1 3.317 4.031 -2.282 7 HE1 MET 1 3HE MET 1 4.762 2.972 -3.753 8 HE2 MET 1 1HE MET 1 4.972 4.006 -5.173 9 HE3 MET 1 2HE MET 1 4.404 2.349 -5.364 10 H LEU 2 H LEU 2 2.442 0.055 -5.222 11 HA LEU 2 HA LEU 2 2.387 -2.530 -3.772 12 HB2 LEU 2 1HB LEU 2 0.748 -1.992 -5.801 13 HB3 LEU 2 2HB LEU 2 2.145 -2.499 -6.720 14 HG LEU 2 HG LEU 2 1.978 -4.358 -4.661 15 HD11 LEU 2 1HD1 LEU 2 -0.376 -5.117 -4.823 16 HD12 LEU 2 2HD1 LEU 2 -0.753 -3.711 -5.823 17 HD13 LEU 2 3HD1 LEU 2 -0.269 -3.495 -4.137 18 HD21 LEU 2 3HD2 LEU 2 1.215 -5.807 -6.607 19 HD22 LEU 2 1HD2 LEU 2 2.661 -4.844 -6.915 20 HD23 LEU 2 2HD2 LEU 2 1.106 -4.327 -7.559 21 H MET 3 H MET 3 4.038 -4.030 -4.340 22 HA MET 3 HA MET 3 6.413 -2.757 -5.519 23 HB2 MET 3 1HB MET 3 6.401 -4.045 -3.227 24 HB3 MET 3 2HB MET 3 6.450 -5.479 -4.256 25 HG2 MET 3 1HG MET 3 8.388 -3.172 -4.571 26 HG3 MET 3 2HG MET 3 8.725 -4.576 -3.563 27 HE1 MET 3 3HE MET 3 10.961 -5.021 -6.697 28 HE2 MET 3 1HE MET 3 10.855 -4.552 -4.996 29 HE3 MET 3 2HE MET 3 10.342 -3.431 -6.254 30 H ILE 4 H ILE 4 6.986 -3.278 -7.577 31 HA ILE 4 HA ILE 4 5.595 -5.583 -8.802 32 HB ILE 4 HB ILE 4 6.811 -3.124 -10.057 33 HG12 ILE 4 1HG1 ILE 4 4.619 -2.958 -8.725 34 HG13 ILE 4 2HG1 ILE 4 4.590 -2.370 -10.384 35 HG21 ILE 4 1HG2 ILE 4 6.232 -3.956 -12.159 36 HG22 ILE 4 2HG2 ILE 4 5.101 -5.134 -11.496 37 HG23 ILE 4 3HG2 ILE 4 6.834 -5.396 -11.343 38 HD11 ILE 4 3HD1 ILE 4 3.834 -4.844 -10.936 39 HD12 ILE 4 1HD1 ILE 4 2.655 -3.680 -10.336 40 HD13 ILE 4 2HD1 ILE 4 3.361 -4.859 -9.238 41 H THR 5 H THR 5 8.689 -3.835 -9.184 42 HA THR 5 HA THR 5 10.196 -6.297 -9.131 43 HB THR 5 HB THR 5 9.108 -6.120 -11.487 44 HG1 THR 5 HG1 THR 5 10.985 -6.905 -12.393 45 HG21 THR 5 3HG2 THR 5 11.223 -3.954 -11.751 46 HG22 THR 5 1HG2 THR 5 9.484 -3.673 -11.741 47 HG23 THR 5 2HG2 THR 5 10.228 -4.590 -13.049 48 H SER 6 H SER 6 12.330 -5.406 -10.606 49 HA SER 6 HA SER 6 13.025 -2.787 -9.576 50 HB2 SER 6 1HB SER 6 15.334 -3.960 -9.032 51 HB3 SER 6 2HB SER 6 14.060 -3.757 -7.841 52 HG SER 6 HG SER 6 13.612 -5.843 -7.924 53 H PHE 7 H PHE 7 14.308 -1.721 -10.936 54 HA PHE 7 HA PHE 7 14.970 -3.132 -13.437 55 HB2 PHE 7 1HB PHE 7 14.353 -0.257 -12.778 56 HB3 PHE 7 2HB PHE 7 14.979 -0.764 -14.337 57 HD1 PHE 7 HD2 PHE 7 13.643 -3.340 -14.766 58 HD2 PHE 7 HD1 PHE 7 12.058 0.274 -13.108 59 HE1 PHE 7 HE2 PHE 7 11.375 -4.024 -15.453 60 HE2 PHE 7 HE1 PHE 7 9.802 -0.392 -13.847 61 HZ PHE 7 HZ PHE 7 9.454 -2.544 -15.013 62 H ALA 8 H ALA 8 16.954 -3.256 -14.185 63 HA ALA 8 HA ALA 8 19.204 -2.970 -12.606 64 HB1 ALA 8 1HB ALA 8 19.082 -2.664 -15.614 65 HB2 ALA 8 2HB ALA 8 19.145 -4.206 -14.759 66 HB3 ALA 8 3HB ALA 8 20.506 -3.088 -14.668 67 H ASN 9 H ASN 9 17.462 -0.639 -14.489 68 HA ASN 9 HA ASN 9 19.289 1.428 -13.509 69 HB2 ASN 9 1HB ASN 9 18.348 0.967 -16.276 70 HB3 ASN 9 2HB ASN 9 18.590 2.618 -15.728 71 HD21 ASN 9 2HD2 ASN 9 20.184 0.380 -17.462 72 HD22 ASN 9 1HD2 ASN 9 21.782 0.672 -16.962 73 HA PRO 10 HA PRO 10 15.589 3.440 -12.176 74 HB2 PRO 10 1HB PRO 10 16.486 5.991 -11.987 75 HB3 PRO 10 2HB PRO 10 17.031 4.726 -10.861 76 HG2 PRO 10 1HG PRO 10 18.369 5.751 -13.330 77 HG3 PRO 10 2HG PRO 10 19.053 5.487 -11.716 78 HD2 PRO 10 1HD PRO 10 19.403 3.688 -13.698 79 HD3 PRO 10 2HD PRO 10 19.196 3.172 -12.006 80 H ARG 11 H ARG 11 17.504 4.840 -14.797 81 HA ARG 11 HA ARG 11 15.482 6.405 -16.030 82 HB2 ARG 11 1HB ARG 11 17.399 5.015 -17.824 83 HB3 ARG 11 2HB ARG 11 17.039 6.735 -17.686 84 HG2 ARG 11 1HG ARG 11 18.340 6.764 -15.525 85 HG3 ARG 11 2HG ARG 11 18.817 5.097 -15.852 86 HD2 ARG 11 1HD ARG 11 20.036 5.699 -17.788 87 HD3 ARG 11 2HD ARG 11 19.288 7.290 -17.872 88 HE ARG 11 HE ARG 11 21.458 6.462 -16.081 89 HH11 ARG 11 1HH2 ARG 11 19.103 8.843 -17.039 90 HH12 ARG 11 2HH2 ARG 11 19.876 10.143 -16.197 91 HH21 ARG 11 1HH1 ARG 11 22.458 8.186 -14.965 92 HH22 ARG 11 2HH1 ARG 11 21.765 9.771 -15.019 93 H VAL 12 H VAL 12 16.655 3.134 -16.440 94 HA VAL 12 HA VAL 12 14.904 2.090 -18.340 95 HB VAL 12 HB VAL 12 16.427 1.038 -15.985 96 HG11 VAL 12 1HG1 VAL 12 15.649 -1.198 -16.272 97 HG12 VAL 12 2HG1 VAL 12 14.658 -0.737 -17.651 98 HG13 VAL 12 3HG1 VAL 12 14.226 -0.182 -16.034 99 HG21 VAL 12 3HG2 VAL 12 16.432 0.298 -18.903 100 HG22 VAL 12 1HG2 VAL 12 17.585 -0.244 -17.684 101 HG23 VAL 12 2HG2 VAL 12 17.526 1.458 -18.151 102 H ALA 13 H ALA 13 14.714 2.416 -14.880 103 HA ALA 13 HA ALA 13 12.187 1.268 -14.491 104 HB1 ALA 13 1HB ALA 13 14.099 1.811 -12.807 105 HB2 ALA 13 2HB ALA 13 12.434 1.978 -12.256 106 HB3 ALA 13 3HB ALA 13 13.354 3.403 -12.728 107 H GLN 14 H GLN 14 13.106 4.689 -14.275 108 HA GLN 14 HA GLN 14 10.561 5.743 -14.131 109 HB2 GLN 14 1HB GLN 14 12.953 6.897 -15.575 110 HB3 GLN 14 2HB GLN 14 11.516 7.804 -15.101 111 HG2 GLN 14 1HG GLN 14 12.017 7.662 -12.823 112 HG3 GLN 14 2HG GLN 14 12.997 6.215 -13.026 113 HE21 GLN 14 2HE2 GLN 14 15.138 6.529 -14.132 114 HE22 GLN 14 1HE2 GLN 14 15.940 8.013 -13.970 115 H ALA 15 H ALA 15 12.454 4.857 -16.995 116 HA ALA 15 HA ALA 15 10.664 5.692 -18.973 117 HB1 ALA 15 1HB ALA 15 11.753 4.088 -20.430 118 HB2 ALA 15 2HB ALA 15 12.372 3.191 -19.047 119 HB3 ALA 15 3HB ALA 15 12.970 4.813 -19.384 120 H PHE 16 H PHE 16 10.902 2.487 -17.383 121 HA PHE 16 HA PHE 16 8.695 1.306 -18.663 122 HB2 PHE 16 1HB PHE 16 10.270 -0.012 -17.320 123 HB3 PHE 16 2HB PHE 16 9.718 0.798 -15.858 124 HD1 PHE 16 HD1 PHE 16 8.192 -0.945 -18.818 125 HD2 PHE 16 HD2 PHE 16 8.118 -0.302 -14.579 126 HE1 PHE 16 HE1 PHE 16 6.450 -2.698 -18.577 127 HE2 PHE 16 HE2 PHE 16 6.375 -2.047 -14.336 128 HZ PHE 16 HZ PHE 16 5.519 -3.220 -16.344 129 H VAL 17 H VAL 17 8.815 2.578 -15.349 130 HA VAL 17 HA VAL 17 6.067 2.460 -14.904 131 HB VAL 17 HB VAL 17 6.462 3.848 -13.004 132 HG11 VAL 17 1HG1 VAL 17 7.670 1.562 -13.280 133 HG12 VAL 17 2HG1 VAL 17 8.201 2.629 -11.978 134 HG13 VAL 17 3HG1 VAL 17 9.134 2.524 -13.467 135 HG21 VAL 17 3HG2 VAL 17 8.597 5.127 -12.804 136 HG22 VAL 17 1HG2 VAL 17 7.543 5.720 -14.087 137 HG23 VAL 17 2HG2 VAL 17 8.947 4.727 -14.485 138 H ASP 18 H ASP 18 8.088 5.079 -16.246 139 HA ASP 18 HA ASP 18 5.991 6.953 -16.526 140 HB2 ASP 18 1HB ASP 18 8.408 7.525 -16.861 141 HB3 ASP 18 2HB ASP 18 8.385 6.603 -18.362 142 H TYR 19 H TYR 19 7.190 4.278 -18.450 143 HA TYR 19 HA TYR 19 5.459 4.617 -20.679 144 HB2 TYR 19 1HB TYR 19 7.011 3.032 -21.287 145 HB3 TYR 19 2HB TYR 19 7.218 2.458 -19.633 146 HD1 TYR 19 HD1 TYR 19 4.673 2.589 -22.334 147 HD2 TYR 19 HD2 TYR 19 6.267 0.395 -19.013 148 HE1 TYR 19 HE1 TYR 19 3.057 0.779 -22.771 149 HE2 TYR 19 HE2 TYR 19 4.645 -1.431 -19.448 150 HH TYR 19 HH TYR 19 2.853 -2.074 -20.652 151 H MET 20 H MET 20 5.343 2.337 -17.936 152 HA MET 20 HA MET 20 2.797 1.322 -18.222 153 HB2 MET 20 1HB MET 20 4.159 2.138 -15.644 154 HB3 MET 20 2HB MET 20 2.801 1.024 -15.771 155 HG2 MET 20 1HG MET 20 4.699 0.069 -17.611 156 HG3 MET 20 2HG MET 20 5.625 0.513 -16.182 157 HE1 MET 20 3HE MET 20 1.787 -0.622 -15.943 158 HE2 MET 20 1HE MET 20 2.043 -2.318 -16.358 159 HE3 MET 20 2HE MET 20 2.496 -1.047 -17.488 160 H ALA 21 H ALA 21 3.865 4.249 -16.621 161 HA ALA 21 HA ALA 21 1.407 5.273 -15.767 162 HB1 ALA 21 1HB ALA 21 3.919 6.707 -16.659 163 HB2 ALA 21 2HB ALA 21 3.562 6.164 -15.022 164 HB3 ALA 21 3HB ALA 21 2.603 7.450 -15.755 165 H THR 22 H THR 22 3.072 5.401 -18.880 166 HA THR 22 HA THR 22 1.411 7.294 -20.148 167 HB THR 22 HB THR 22 3.639 5.773 -20.816 168 HG1 THR 22 HG1 THR 22 3.700 7.456 -22.033 169 HG21 THR 22 3HG2 THR 22 2.194 3.892 -21.501 170 HG22 THR 22 1HG2 THR 22 3.022 4.589 -22.886 171 HG23 THR 22 2HG2 THR 22 1.324 4.949 -22.600 172 H GLN 23 H GLN 23 1.276 3.845 -19.622 173 HA GLN 23 HA GLN 23 -1.134 3.347 -21.083 174 HB2 GLN 23 1HB GLN 23 0.763 1.731 -20.192 175 HB3 GLN 23 2HB GLN 23 -0.329 1.630 -18.819 176 HG2 GLN 23 1HG GLN 23 -2.193 1.119 -20.444 177 HG3 GLN 23 2HG GLN 23 -0.972 1.002 -21.710 178 HE21 GLN 23 2HE2 GLN 23 1.098 -0.319 -20.509 179 HE22 GLN 23 1HE2 GLN 23 0.611 -1.840 -19.924 180 H GLY 24 H GLY 24 -0.403 4.961 -18.302 181 HA2 GLY 24 1HA GLY 24 -1.898 6.043 -16.878 182 HA3 GLY 24 2HA GLY 24 -3.168 4.930 -17.391 183 H VAL 25 H VAL 25 -0.385 3.292 -16.945 184 HA VAL 25 HA VAL 25 -1.210 2.208 -14.334 185 HB VAL 25 HB VAL 25 0.887 1.137 -16.206 186 HG11 VAL 25 1HG1 VAL 25 -0.750 0.169 -13.901 187 HG12 VAL 25 2HG1 VAL 25 0.980 0.023 -14.172 188 HG13 VAL 25 3HG1 VAL 25 -0.147 -0.988 -15.087 189 HG21 VAL 25 3HG2 VAL 25 -1.434 1.543 -17.307 190 HG22 VAL 25 1HG2 VAL 25 -2.011 0.274 -16.234 191 HG23 VAL 25 2HG2 VAL 25 -0.753 -0.081 -17.419 192 H ILE 26 H ILE 26 -0.484 3.589 -12.923 193 HA ILE 26 HA ILE 26 2.057 4.837 -13.169 194 HB ILE 26 HB ILE 26 0.509 4.806 -10.627 195 HG12 ILE 26 1HG1 ILE 26 -0.689 6.846 -11.868 196 HG13 ILE 26 2HG1 ILE 26 -0.378 5.853 -13.293 197 HG21 ILE 26 1HG2 ILE 26 1.286 7.139 -10.640 198 HG22 ILE 26 2HG2 ILE 26 2.028 6.879 -12.218 199 HG23 ILE 26 3HG2 ILE 26 2.625 6.007 -10.806 200 HD11 ILE 26 3HD1 ILE 26 -1.966 4.334 -12.711 201 HD12 ILE 26 1HD1 ILE 26 -2.530 5.546 -11.567 202 HD13 ILE 26 2HD1 ILE 26 -1.418 4.292 -11.035 203 H LEU 27 H LEU 27 3.888 3.961 -12.750 204 HA LEU 27 HA LEU 27 4.139 2.120 -10.466 205 HB2 LEU 27 1HB LEU 27 5.493 2.168 -13.096 206 HB3 LEU 27 2HB LEU 27 6.511 1.843 -11.700 207 HG LEU 27 HG LEU 27 4.407 0.252 -11.131 208 HD11 LEU 27 1HD1 LEU 27 3.514 1.039 -13.429 209 HD12 LEU 27 2HD1 LEU 27 3.499 -0.687 -13.089 210 HD13 LEU 27 3HD1 LEU 27 4.765 -0.002 -14.101 211 HD21 LEU 27 3HD2 LEU 27 5.842 -1.577 -12.007 212 HD22 LEU 27 1HD2 LEU 27 6.797 -0.366 -11.152 213 HD23 LEU 27 2HD2 LEU 27 6.779 -0.392 -12.916 214 H THR 28 H THR 28 6.927 2.476 -10.210 215 HA THR 28 HA THR 28 7.815 5.103 -10.250 216 HB THR 28 HB THR 28 6.321 4.336 -7.745 217 HG1 THR 28 HG1 THR 28 5.429 5.687 -9.465 218 HG21 THR 28 3HG2 THR 28 8.688 6.169 -8.020 219 HG22 THR 28 1HG2 THR 28 8.379 4.946 -6.785 220 HG23 THR 28 2HG2 THR 28 7.460 6.452 -6.788 221 H ILE 29 H ILE 29 9.858 5.303 -9.191 222 HA ILE 29 HA ILE 29 11.121 2.704 -8.716 223 HB ILE 29 HB ILE 29 12.834 5.089 -8.649 224 HG12 ILE 29 1HG1 ILE 29 11.067 5.888 -10.228 225 HG13 ILE 29 2HG1 ILE 29 12.612 5.626 -11.029 226 HG21 ILE 29 1HG2 ILE 29 14.020 3.136 -8.983 227 HG22 ILE 29 2HG2 ILE 29 13.768 3.608 -10.664 228 HG23 ILE 29 3HG2 ILE 29 12.731 2.386 -9.925 229 HD11 ILE 29 3HD1 ILE 29 11.556 4.263 -12.477 230 HD12 ILE 29 1HD1 ILE 29 10.064 4.352 -11.549 231 HD13 ILE 29 2HD1 ILE 29 11.279 3.140 -11.147 232 H GLN 30 H GLN 30 11.861 2.106 -6.750 233 HA GLN 30 HA GLN 30 11.276 3.916 -4.516 234 HB2 GLN 30 1HB GLN 30 11.494 0.972 -4.857 235 HB3 GLN 30 2HB GLN 30 12.051 1.611 -3.316 236 HG2 GLN 30 1HG GLN 30 9.340 2.124 -4.557 237 HG3 GLN 30 2HG GLN 30 9.665 1.040 -3.212 238 HE21 GLN 30 2HE2 GLN 30 7.855 3.075 -2.741 239 HE22 GLN 30 1HE2 GLN 30 8.548 4.264 -1.751 240 H GLN 31 H GLN 31 12.809 4.392 -2.917 241 HA GLN 31 HA GLN 31 15.324 5.135 -3.848 242 HB2 GLN 31 1HB GLN 31 14.071 5.993 -1.806 243 HB3 GLN 31 2HB GLN 31 14.732 4.608 -0.942 244 HG2 GLN 31 1HG GLN 31 16.389 6.184 -0.530 245 HG3 GLN 31 2HG GLN 31 17.010 5.440 -1.998 246 HE21 GLN 31 2HE2 GLN 31 14.700 8.068 -1.138 247 HE22 GLN 31 1HE2 GLN 31 15.231 9.120 -2.359 248 H HIS 32 H HIS 32 16.900 3.901 -4.500 249 HA HIS 32 HA HIS 32 18.553 2.336 -3.031 250 HB2 HIS 32 1HB HIS 32 16.104 0.876 -3.499 251 HB3 HIS 32 2HB HIS 32 17.440 0.089 -4.332 252 HD1 HIS 32 HD1 HIS 32 16.977 1.722 -0.904 253 HD2 HIS 32 HD2 HIS 32 18.710 -1.653 -2.643 254 HE1 HIS 32 HE1 HIS 32 18.077 0.416 0.982 255 H ASN 33 H ASN 33 20.152 1.245 -4.360 256 HA ASN 33 HA ASN 33 20.467 2.414 -6.913 257 HB2 ASN 33 1HB ASN 33 22.305 1.378 -5.444 258 HB3 ASN 33 2HB ASN 33 21.780 -0.176 -6.097 259 HD21 ASN 33 2HD2 ASN 33 23.607 2.692 -6.785 260 HD22 ASN 33 1HD2 ASN 33 24.008 2.299 -8.387 261 H GLN 34 H GLN 34 19.250 -0.674 -5.780 262 HA GLN 34 HA GLN 34 18.678 -1.701 -8.407 263 HB2 GLN 34 1HB GLN 34 17.675 -2.538 -5.668 264 HB3 GLN 34 2HB GLN 34 17.372 -3.423 -7.162 265 HG2 GLN 34 1HG GLN 34 19.427 -4.363 -7.125 266 HG3 GLN 34 2HG GLN 34 20.208 -2.815 -6.802 267 HE21 GLN 34 2HE2 GLN 34 18.788 -5.671 -5.262 268 HE22 GLN 34 1HE2 GLN 34 19.352 -5.315 -3.701 269 H SER 35 H SER 35 17.482 -0.125 -9.432 270 HA SER 35 HA SER 35 15.449 1.459 -8.522 271 HB2 SER 35 1HB SER 35 14.981 0.294 -11.170 272 HB3 SER 35 2HB SER 35 15.135 1.976 -10.689 273 HG SER 35 HG SER 35 17.094 0.090 -11.385 274 H ASP 36 H ASP 36 14.446 0.050 -6.870 275 HA ASP 36 HA ASP 36 12.753 -2.121 -7.597 276 HB2 ASP 36 1HB ASP 36 13.095 -0.407 -5.211 277 HB3 ASP 36 2HB ASP 36 11.464 -1.020 -5.451 278 H VAL 37 H VAL 37 11.065 -2.027 -8.822 279 HA VAL 37 HA VAL 37 9.813 0.572 -9.276 280 HB VAL 37 HB VAL 37 8.908 -1.666 -10.934 281 HG11 VAL 37 1HG1 VAL 37 10.361 0.599 -12.111 282 HG12 VAL 37 2HG1 VAL 37 9.055 1.096 -11.043 283 HG13 VAL 37 3HG1 VAL 37 8.714 0.047 -12.416 284 HG21 VAL 37 3HG2 VAL 37 10.962 -2.058 -12.090 285 HG22 VAL 37 1HG2 VAL 37 11.364 -2.240 -10.394 286 HG23 VAL 37 2HG2 VAL 37 11.784 -0.760 -11.237 287 H TRP 38 H TRP 38 8.143 1.018 -8.117 288 HA TRP 38 HA TRP 38 6.453 -1.167 -7.129 289 HB2 TRP 38 1HB TRP 38 6.949 1.653 -6.218 290 HB3 TRP 38 2HB TRP 38 5.491 0.792 -5.728 291 HD1 TRP 38 HD1 TRP 38 9.235 -0.286 -5.944 292 HE1 TRP 38 HE1 TRP 38 9.786 -1.455 -3.698 293 HE3 TRP 38 HE3 TRP 38 4.757 0.208 -3.650 294 HZ2 TRP 38 HZ2 TRP 38 8.429 -2.088 -1.221 295 HZ3 TRP 38 HZ3 TRP 38 4.378 -0.652 -1.398 296 HH2 TRP 38 HH2 TRP 38 6.195 -1.811 -0.151 297 H LEU 39 H LEU 39 4.176 -0.949 -7.225 298 HA LEU 39 HA LEU 39 3.259 0.548 -9.603 299 HB2 LEU 39 1HB LEU 39 2.950 -2.112 -9.039 300 HB3 LEU 39 2HB LEU 39 1.470 -1.450 -8.384 301 HG LEU 39 HG LEU 39 2.439 -1.462 -11.223 302 HD11 LEU 39 1HD1 LEU 39 0.894 -3.128 -11.107 303 HD12 LEU 39 2HD1 LEU 39 -0.277 -1.823 -11.140 304 HD13 LEU 39 3HD1 LEU 39 0.216 -2.519 -9.602 305 HD21 LEU 39 3HD2 LEU 39 1.866 0.787 -11.122 306 HD22 LEU 39 1HD2 LEU 39 0.647 0.519 -9.880 307 HD23 LEU 39 2HD2 LEU 39 0.328 0.035 -11.542 308 H ALA 40 H ALA 40 1.831 2.119 -9.334 309 HA ALA 40 HA ALA 40 0.801 2.604 -6.614 310 HB1 ALA 40 1HB ALA 40 1.698 4.614 -7.273 311 HB2 ALA 40 2HB ALA 40 0.075 4.800 -7.936 312 HB3 ALA 40 3HB ALA 40 1.403 4.308 -8.982 313 H ASP 41 H ASP 41 -0.038 2.170 -9.977 314 HA ASP 41 HA ASP 41 -2.898 2.246 -9.565 315 HB2 ASP 41 1HB ASP 41 -1.516 2.606 -11.797 316 HB3 ASP 41 2HB ASP 41 -1.565 0.859 -11.882 317 H GLU 42 H GLU 42 -1.992 0.697 -7.623 318 HA GLU 42 HA GLU 42 -1.262 -1.847 -7.825 319 HB2 GLU 42 1HB GLU 42 -3.305 -0.584 -6.050 320 HB3 GLU 42 2HB GLU 42 -2.950 -2.313 -5.913 321 HG2 GLU 42 1HG GLU 42 -0.918 -1.930 -5.013 322 HG3 GLU 42 2HG GLU 42 -0.529 -0.699 -6.210 323 H SER 43 H SER 43 -4.449 -0.741 -8.855 324 HA SER 43 HA SER 43 -5.670 -3.253 -9.154 325 HB2 SER 43 1HB SER 43 -5.885 -0.833 -10.965 326 HB3 SER 43 2HB SER 43 -7.020 -2.183 -10.906 327 HG SER 43 HG SER 43 -7.835 -0.608 -9.581 328 H GLN 44 H GLN 44 -3.241 -1.562 -10.966 329 HA GLN 44 HA GLN 44 -3.148 -3.390 -13.176 330 HB2 GLN 44 1HB GLN 44 -1.824 -0.878 -12.346 331 HB3 GLN 44 2HB GLN 44 -1.002 -1.900 -13.501 332 HG2 GLN 44 1HG GLN 44 -2.636 -0.062 -14.327 333 HG3 GLN 44 2HG GLN 44 -2.644 -1.644 -15.098 334 HE21 GLN 44 2HE2 GLN 44 -4.537 0.656 -13.397 335 HE22 GLN 44 1HE2 GLN 44 -5.937 -0.293 -13.231 336 H ALA 45 H ALA 45 -2.067 -3.497 -10.039 337 HA ALA 45 HA ALA 45 0.504 -4.272 -9.812 338 HB1 ALA 45 1HB ALA 45 -0.351 -6.117 -8.308 339 HB2 ALA 45 2HB ALA 45 -1.967 -5.642 -8.820 340 HB3 ALA 45 3HB ALA 45 -0.946 -4.496 -7.962 341 H GLU 46 H GLU 46 -1.949 -6.636 -10.497 342 HA GLU 46 HA GLU 46 -0.345 -8.739 -11.385 343 HB2 GLU 46 1HB GLU 46 -2.469 -9.491 -12.465 344 HB3 GLU 46 2HB GLU 46 -2.690 -8.976 -10.792 345 HG2 GLU 46 1HG GLU 46 -3.097 -6.601 -11.957 346 HG3 GLU 46 2HG GLU 46 -3.567 -7.621 -13.318 347 H ARG 47 H ARG 47 -1.862 -6.088 -13.054 348 HA ARG 47 HA ARG 47 -1.322 -6.700 -15.721 349 HB2 ARG 47 1HB ARG 47 -2.630 -4.720 -14.448 350 HB3 ARG 47 2HB ARG 47 -1.142 -3.873 -14.845 351 HG2 ARG 47 1HG ARG 47 -2.294 -5.458 -17.043 352 HG3 ARG 47 2HG ARG 47 -3.260 -4.075 -16.520 353 HD2 ARG 47 1HD ARG 47 -1.362 -2.601 -16.711 354 HD3 ARG 47 2HD ARG 47 -0.305 -3.954 -17.108 355 HE ARG 47 HE ARG 47 -1.897 -2.508 -18.959 356 HH11 ARG 47 1HH2 ARG 47 -0.916 -5.732 -18.110 357 HH12 ARG 47 2HH2 ARG 47 -1.266 -6.412 -19.672 358 HH21 ARG 47 1HH1 ARG 47 -2.346 -3.395 -21.016 359 HH22 ARG 47 2HH1 ARG 47 -2.061 -5.081 -21.323 360 H VAL 48 H VAL 48 0.283 -4.414 -13.702 361 HA VAL 48 HA VAL 48 2.546 -3.951 -15.254 362 HB VAL 48 HB VAL 48 2.022 -3.800 -12.295 363 HG11 VAL 48 1HG1 VAL 48 3.928 -2.350 -12.195 364 HG12 VAL 48 2HG1 VAL 48 4.130 -2.415 -13.940 365 HG13 VAL 48 3HG1 VAL 48 4.446 -3.840 -12.967 366 HG21 VAL 48 3HG2 VAL 48 0.767 -2.562 -14.356 367 HG22 VAL 48 1HG2 VAL 48 2.110 -1.457 -14.092 368 HG23 VAL 48 2HG2 VAL 48 0.997 -1.815 -12.780 369 H ARG 49 H ARG 49 2.223 -5.957 -12.352 370 HA ARG 49 HA ARG 49 4.752 -7.072 -12.369 371 HB2 ARG 49 1HB ARG 49 2.111 -8.256 -11.493 372 HB3 ARG 49 2HB ARG 49 3.636 -9.114 -11.287 373 HG2 ARG 49 1HG ARG 49 4.472 -6.942 -10.145 374 HG3 ARG 49 2HG ARG 49 2.761 -6.523 -10.019 375 HD2 ARG 49 1HD ARG 49 2.290 -8.472 -8.721 376 HD3 ARG 49 2HD ARG 49 3.879 -9.159 -9.054 377 HE ARG 49 HE ARG 49 4.407 -6.761 -7.802 378 HH11 ARG 49 1HH2 ARG 49 2.598 -9.639 -7.110 379 HH12 ARG 49 2HH2 ARG 49 2.759 -9.502 -5.394 380 HH21 ARG 49 1HH1 ARG 49 4.687 -6.604 -5.565 381 HH22 ARG 49 2HH1 ARG 49 3.944 -7.760 -4.507 382 H ALA 50 H ALA 50 1.989 -7.752 -14.369 383 HA ALA 50 HA ALA 50 3.114 -10.145 -15.560 384 HB1 ALA 50 1HB ALA 50 1.160 -9.693 -17.218 385 HB2 ALA 50 2HB ALA 50 0.659 -8.470 -16.056 386 HB3 ALA 50 3HB ALA 50 0.757 -10.158 -15.568 387 H GLU 51 H GLU 51 2.448 -6.792 -16.530 388 HA GLU 51 HA GLU 51 3.364 -6.620 -19.091 389 HB2 GLU 51 1HB GLU 51 3.978 -4.759 -16.795 390 HB3 GLU 51 2HB GLU 51 4.251 -4.362 -18.488 391 HG2 GLU 51 1HG GLU 51 1.639 -5.366 -18.428 392 HG3 GLU 51 2HG GLU 51 1.757 -4.376 -16.981 393 H LEU 52 H LEU 52 5.430 -6.340 -16.248 394 HA LEU 52 HA LEU 52 7.855 -6.127 -17.390 395 HB2 LEU 52 1HB LEU 52 7.110 -7.847 -15.051 396 HB3 LEU 52 2HB LEU 52 8.755 -7.324 -15.446 397 HG LEU 52 HG LEU 52 6.378 -5.589 -14.745 398 HD11 LEU 52 1HD1 LEU 52 7.666 -6.299 -12.867 399 HD12 LEU 52 2HD1 LEU 52 8.093 -4.618 -13.201 400 HD13 LEU 52 3HD1 LEU 52 9.174 -5.926 -13.696 401 HD21 LEU 52 3HD2 LEU 52 8.970 -4.842 -16.128 402 HD22 LEU 52 1HD2 LEU 52 7.984 -3.676 -15.257 403 HD23 LEU 52 2HD2 LEU 52 7.326 -4.503 -16.666 404 H ALA 53 H ALA 53 6.979 -9.447 -16.423 405 HA ALA 53 HA ALA 53 8.793 -10.773 -17.951 406 HB1 ALA 53 1HB ALA 53 7.498 -12.212 -16.722 407 HB2 ALA 53 2HB ALA 53 6.831 -12.489 -18.329 408 HB3 ALA 53 3HB ALA 53 5.988 -11.436 -17.192 409 H ARG 54 H ARG 54 6.262 -8.810 -19.136 410 HA ARG 54 HA ARG 54 6.454 -9.893 -21.887 411 HB2 ARG 54 1HB ARG 54 4.894 -7.420 -21.251 412 HB3 ARG 54 2HB ARG 54 4.519 -8.716 -22.373 413 HG2 ARG 54 1HG ARG 54 4.541 -9.702 -19.642 414 HG3 ARG 54 2HG ARG 54 3.429 -8.348 -19.811 415 HD2 ARG 54 1HD ARG 54 2.323 -10.500 -20.296 416 HD3 ARG 54 2HD ARG 54 2.345 -9.448 -21.706 417 HE ARG 54 HE ARG 54 4.008 -11.857 -21.307 418 HH11 ARG 54 1HH2 ARG 54 2.833 -9.256 -23.321 419 HH12 ARG 54 2HH2 ARG 54 3.551 -9.891 -24.760 420 HH21 ARG 54 1HH1 ARG 54 4.920 -12.660 -23.216 421 HH22 ARG 54 2HH1 ARG 54 4.722 -11.795 -24.705 422 H PHE 55 H PHE 55 6.618 -6.921 -20.108 423 HA PHE 55 HA PHE 55 7.830 -5.177 -21.823 424 HB2 PHE 55 1HB PHE 55 6.988 -4.244 -19.941 425 HB3 PHE 55 2HB PHE 55 7.540 -5.558 -18.942 426 HD1 PHE 55 HD1 PHE 55 8.455 -2.419 -20.553 427 HD2 PHE 55 HD2 PHE 55 9.670 -5.585 -17.956 428 HE1 PHE 55 HE1 PHE 55 10.388 -1.044 -19.777 429 HE2 PHE 55 HE2 PHE 55 11.610 -4.249 -17.193 430 HZ PHE 55 HZ PHE 55 11.971 -1.959 -18.103 431 H LEU 56 H LEU 56 9.190 -7.743 -20.001 432 HA LEU 56 HA LEU 56 11.916 -6.835 -20.208 433 HB2 LEU 56 1HB LEU 56 10.786 -9.514 -19.395 434 HB3 LEU 56 2HB LEU 56 12.391 -8.871 -19.007 435 HG LEU 56 HG LEU 56 9.878 -7.397 -18.324 436 HD11 LEU 56 1HD1 LEU 56 10.532 -9.861 -17.291 437 HD12 LEU 56 2HD1 LEU 56 9.469 -8.673 -16.548 438 HD13 LEU 56 3HD1 LEU 56 11.172 -8.722 -16.105 439 HD21 LEU 56 3HD2 LEU 56 11.388 -6.323 -16.694 440 HD22 LEU 56 1HD2 LEU 56 11.847 -6.064 -18.374 441 HD23 LEU 56 2HD2 LEU 56 12.719 -7.241 -17.397 442 H GLU 57 H GLU 57 10.324 -9.787 -21.399 443 HA GLU 57 HA GLU 57 12.435 -10.145 -23.377 444 HB2 GLU 57 1HB GLU 57 10.740 -12.019 -24.102 445 HB3 GLU 57 2HB GLU 57 11.741 -12.238 -22.672 446 HG2 GLU 57 1HG GLU 57 9.938 -12.133 -21.250 447 HG3 GLU 57 2HG GLU 57 9.154 -10.868 -22.204 448 H ASN 58 H ASN 58 9.547 -8.450 -23.116 449 HA ASN 58 HA ASN 58 9.477 -8.140 -26.038 450 HB2 ASN 58 1HB ASN 58 7.561 -9.671 -24.416 451 HB3 ASN 58 2HB ASN 58 6.840 -8.556 -25.574 452 HD21 ASN 58 2HD2 ASN 58 8.235 -11.653 -25.241 453 HD22 ASN 58 1HD2 ASN 58 8.451 -11.984 -26.896 454 HA PRO 59 HA PRO 59 8.099 -4.379 -23.466 455 HB2 PRO 59 1HB PRO 59 10.150 -2.741 -24.424 456 HB3 PRO 59 2HB PRO 59 10.150 -3.524 -22.836 457 HG2 PRO 59 1HG PRO 59 11.535 -4.309 -25.331 458 HG3 PRO 59 2HG PRO 59 12.044 -4.497 -23.643 459 HD2 PRO 59 1HD PRO 59 11.089 -6.579 -25.117 460 HD3 PRO 59 2HD PRO 59 10.858 -6.469 -23.361 461 H ALA 60 H ALA 60 8.109 -2.029 -24.802 462 HA ALA 60 HA ALA 60 7.405 -0.945 -26.729 463 HB1 ALA 60 1HB ALA 60 9.189 -2.674 -27.710 464 HB2 ALA 60 2HB ALA 60 8.122 -1.764 -28.780 465 HB3 ALA 60 3HB ALA 60 7.737 -3.432 -28.362 466 H ASP 61 H ASP 61 6.462 -4.368 -26.616 467 HA ASP 61 HA ASP 61 3.746 -3.762 -27.511 468 HB2 ASP 61 1HB ASP 61 5.214 -5.879 -28.075 469 HB3 ASP 61 2HB ASP 61 4.652 -6.451 -26.506 470 H LEU 62 H LEU 62 2.629 -5.922 -25.830 471 HA LEU 62 HA LEU 62 2.903 -4.991 -23.102 472 HB2 LEU 62 1HB LEU 62 1.164 -3.607 -24.600 473 HB3 LEU 62 2HB LEU 62 0.109 -4.925 -24.110 474 HG LEU 62 HG LEU 62 1.684 -3.080 -22.309 475 HD11 LEU 62 1HD1 LEU 62 -1.249 -3.557 -22.840 476 HD12 LEU 62 2HD1 LEU 62 -0.332 -2.074 -23.100 477 HD13 LEU 62 3HD1 LEU 62 -0.650 -2.637 -21.463 478 HD21 LEU 62 3HD2 LEU 62 0.048 -5.547 -21.651 479 HD22 LEU 62 1HD2 LEU 62 0.609 -4.379 -20.461 480 HD23 LEU 62 2HD2 LEU 62 1.774 -5.328 -21.376 481 H ASP 63 H ASP 63 -0.153 -6.277 -23.420 482 HA ASP 63 HA ASP 63 0.542 -8.729 -22.202 483 HB2 ASP 63 1HB ASP 63 -2.037 -8.206 -23.681 484 HB3 ASP 63 2HB ASP 63 -1.766 -9.299 -22.328 Start of MODEL 20 1 H1 MET 1 H MET 1 -0.194 2.531 -2.512 2 HA MET 1 HA MET 1 1.443 1.780 -4.026 3 HB2 MET 1 1HB MET 1 2.249 1.908 -1.130 4 HB3 MET 1 2HB MET 1 3.465 1.545 -2.351 5 HG2 MET 1 1HG MET 1 1.936 3.724 -3.344 6 HG3 MET 1 2HG MET 1 2.319 4.090 -1.664 7 HE1 MET 1 3HE MET 1 5.296 3.145 -5.043 8 HE2 MET 1 1HE MET 1 3.553 3.387 -5.217 9 HE3 MET 1 2HE MET 1 4.171 1.957 -4.397 10 H LEU 2 H LEU 2 2.445 0.070 -4.995 11 HA LEU 2 HA LEU 2 2.435 -2.515 -3.555 12 HB2 LEU 2 1HB LEU 2 0.674 -1.991 -5.477 13 HB3 LEU 2 2HB LEU 2 2.017 -2.504 -6.479 14 HG LEU 2 HG LEU 2 1.972 -4.319 -4.360 15 HD11 LEU 2 1HD1 LEU 2 -0.335 -5.114 -4.357 16 HD12 LEU 2 2HD1 LEU 2 -0.807 -3.832 -5.472 17 HD13 LEU 2 3HD1 LEU 2 -0.288 -3.432 -3.832 18 HD21 LEU 2 3HD2 LEU 2 2.566 -5.130 -6.438 19 HD22 LEU 2 1HD2 LEU 2 1.288 -4.249 -7.270 20 HD23 LEU 2 2HD2 LEU 2 0.903 -5.710 -6.361 21 H MET 3 H MET 3 4.034 -3.988 -4.163 22 HA MET 3 HA MET 3 6.386 -2.775 -5.425 23 HB2 MET 3 1HB MET 3 6.389 -4.058 -3.133 24 HB3 MET 3 2HB MET 3 6.384 -5.495 -4.154 25 HG2 MET 3 1HG MET 3 8.385 -3.236 -4.459 26 HG3 MET 3 2HG MET 3 8.694 -4.683 -3.501 27 HE1 MET 3 3HE MET 3 10.810 -4.951 -6.784 28 HE2 MET 3 1HE MET 3 10.750 -4.336 -5.128 29 HE3 MET 3 2HE MET 3 10.089 -3.379 -6.452 30 H ILE 4 H ILE 4 6.836 -3.260 -7.479 31 HA ILE 4 HA ILE 4 5.421 -5.525 -8.728 32 HB ILE 4 HB ILE 4 6.657 -3.018 -9.866 33 HG12 ILE 4 1HG1 ILE 4 4.430 -2.842 -8.757 34 HG13 ILE 4 2HG1 ILE 4 4.399 -2.453 -10.475 35 HG21 ILE 4 1HG2 ILE 4 6.254 -3.763 -12.042 36 HG22 ILE 4 2HG2 ILE 4 5.150 -5.033 -11.513 37 HG23 ILE 4 3HG2 ILE 4 6.883 -5.210 -11.265 38 HD11 ILE 4 3HD1 ILE 4 2.545 -3.859 -10.254 39 HD12 ILE 4 1HD1 ILE 4 3.344 -4.896 -9.075 40 HD13 ILE 4 2HD1 ILE 4 3.795 -4.983 -10.777 41 H THR 5 H THR 5 8.454 -3.773 -9.240 42 HA THR 5 HA THR 5 10.011 -6.245 -9.243 43 HB THR 5 HB THR 5 8.978 -6.017 -11.572 44 HG1 THR 5 HG1 THR 5 10.806 -7.079 -11.778 45 HG21 THR 5 3HG2 THR 5 8.992 -4.015 -12.593 46 HG22 THR 5 1HG2 THR 5 10.741 -3.882 -12.413 47 HG23 THR 5 2HG2 THR 5 9.673 -3.322 -11.130 48 H SER 6 H SER 6 12.195 -5.395 -10.462 49 HA SER 6 HA SER 6 12.900 -2.754 -9.482 50 HB2 SER 6 1HB SER 6 15.089 -3.990 -8.642 51 HB3 SER 6 2HB SER 6 13.707 -3.688 -7.597 52 HG SER 6 HG SER 6 13.736 -5.781 -7.350 53 H PHE 7 H PHE 7 14.276 -1.787 -10.751 54 HA PHE 7 HA PHE 7 15.218 -3.282 -13.109 55 HB2 PHE 7 1HB PHE 7 14.572 -0.400 -12.610 56 HB3 PHE 7 2HB PHE 7 15.277 -1.006 -14.091 57 HD1 PHE 7 HD1 PHE 7 13.654 -3.750 -13.862 58 HD2 PHE 7 HD2 PHE 7 12.587 0.360 -13.701 59 HE1 PHE 7 HE1 PHE 7 11.393 -4.322 -14.672 60 HE2 PHE 7 HE2 PHE 7 10.318 -0.181 -14.538 61 HZ PHE 7 HZ PHE 7 9.721 -2.511 -15.027 62 H ALA 8 H ALA 8 17.282 -3.289 -13.730 63 HA ALA 8 HA ALA 8 19.359 -2.827 -11.895 64 HB1 ALA 8 1HB ALA 8 20.834 -2.894 -13.967 65 HB2 ALA 8 2HB ALA 8 19.354 -3.030 -14.916 66 HB3 ALA 8 3HB ALA 8 19.773 -4.289 -13.756 67 H ASN 9 H ASN 9 17.648 -0.801 -14.078 68 HA ASN 9 HA ASN 9 19.348 1.485 -13.333 69 HB2 ASN 9 1HB ASN 9 18.480 0.561 -15.975 70 HB3 ASN 9 2HB ASN 9 18.178 2.255 -15.673 71 HD21 ASN 9 2HD2 ASN 9 20.492 0.129 -16.797 72 HD22 ASN 9 1HD2 ASN 9 21.867 1.098 -16.582 73 HA PRO 10 HA PRO 10 15.478 3.359 -12.236 74 HB2 PRO 10 1HB PRO 10 16.252 5.926 -12.126 75 HB3 PRO 10 2HB PRO 10 16.942 4.742 -10.988 76 HG2 PRO 10 1HG PRO 10 18.083 5.760 -13.560 77 HG3 PRO 10 2HG PRO 10 18.860 5.617 -11.975 78 HD2 PRO 10 1HD PRO 10 19.189 3.765 -13.929 79 HD3 PRO 10 2HD PRO 10 19.216 3.337 -12.203 80 H ARG 11 H ARG 11 17.391 4.242 -15.013 81 HA ARG 11 HA ARG 11 15.568 5.958 -16.344 82 HB2 ARG 11 1HB ARG 11 17.598 4.096 -17.595 83 HB3 ARG 11 2HB ARG 11 16.882 5.528 -18.332 84 HG2 ARG 11 1HG ARG 11 17.849 6.811 -16.308 85 HG3 ARG 11 2HG ARG 11 18.853 5.381 -16.057 86 HD2 ARG 11 1HD ARG 11 20.062 5.727 -17.989 87 HD3 ARG 11 2HD ARG 11 18.710 6.488 -18.827 88 HE ARG 11 HE ARG 11 19.508 8.174 -16.709 89 HH11 ARG 11 1HH2 ARG 11 20.640 6.947 -19.734 90 HH12 ARG 11 2HH2 ARG 11 21.598 8.337 -20.109 91 HH21 ARG 11 1HH1 ARG 11 20.707 10.057 -17.217 92 HH22 ARG 11 2HH1 ARG 11 21.621 10.121 -18.690 93 H VAL 12 H VAL 12 16.312 2.505 -16.898 94 HA VAL 12 HA VAL 12 14.207 1.917 -18.632 95 HB VAL 12 HB VAL 12 14.515 -0.394 -18.009 96 HG11 VAL 12 1HG1 VAL 12 17.174 -0.321 -17.602 97 HG12 VAL 12 2HG1 VAL 12 16.925 1.346 -18.109 98 HG13 VAL 12 3HG1 VAL 12 16.454 0.023 -19.173 99 HG21 VAL 12 3HG2 VAL 12 14.327 -0.050 -15.552 100 HG22 VAL 12 1HG2 VAL 12 15.953 0.626 -15.554 101 HG23 VAL 12 2HG2 VAL 12 15.707 -1.064 -15.977 102 H ALA 13 H ALA 13 14.353 2.454 -15.247 103 HA ALA 13 HA ALA 13 11.752 1.441 -14.627 104 HB1 ALA 13 1HB ALA 13 13.946 1.848 -13.148 105 HB2 ALA 13 2HB ALA 13 12.341 1.908 -12.435 106 HB3 ALA 13 3HB ALA 13 13.168 3.402 -12.865 107 H GLN 14 H GLN 14 13.083 4.724 -14.424 108 HA GLN 14 HA GLN 14 10.643 6.027 -14.178 109 HB2 GLN 14 1HB GLN 14 13.155 7.012 -15.537 110 HB3 GLN 14 2HB GLN 14 11.806 8.024 -15.029 111 HG2 GLN 14 1HG GLN 14 12.300 7.811 -12.785 112 HG3 GLN 14 2HG GLN 14 13.023 6.216 -12.990 113 HE21 GLN 14 2HE2 GLN 14 15.011 6.579 -14.820 114 HE22 GLN 14 1HE2 GLN 14 16.124 7.750 -14.302 115 H ALA 15 H ALA 15 12.231 4.663 -16.970 116 HA ALA 15 HA ALA 15 10.472 5.936 -18.890 117 HB1 ALA 15 1HB ALA 15 12.895 4.936 -19.233 118 HB2 ALA 15 2HB ALA 15 11.698 4.837 -20.525 119 HB3 ALA 15 3HB ALA 15 12.010 3.434 -19.502 120 H PHE 16 H PHE 16 10.853 2.666 -17.506 121 HA PHE 16 HA PHE 16 8.680 1.441 -18.795 122 HB2 PHE 16 1HB PHE 16 10.274 0.113 -17.528 123 HB3 PHE 16 2HB PHE 16 9.817 0.937 -16.037 124 HD1 PHE 16 HD1 PHE 16 8.125 -0.832 -18.889 125 HD2 PHE 16 HD2 PHE 16 8.292 -0.142 -14.653 126 HE1 PHE 16 HE1 PHE 16 6.383 -2.556 -18.540 127 HE2 PHE 16 HE2 PHE 16 6.543 -1.864 -14.309 128 HZ PHE 16 HZ PHE 16 5.583 -3.061 -16.255 129 H VAL 17 H VAL 17 8.808 2.709 -15.470 130 HA VAL 17 HA VAL 17 6.084 2.509 -14.951 131 HB VAL 17 HB VAL 17 6.453 4.042 -13.139 132 HG11 VAL 17 1HG1 VAL 17 8.158 2.871 -12.048 133 HG12 VAL 17 2HG1 VAL 17 9.167 2.808 -13.488 134 HG13 VAL 17 3HG1 VAL 17 7.756 1.762 -13.360 135 HG21 VAL 17 3HG2 VAL 17 7.470 5.921 -14.113 136 HG22 VAL 17 1HG2 VAL 17 8.750 4.957 -14.847 137 HG23 VAL 17 2HG2 VAL 17 8.749 5.239 -13.110 138 H ASP 18 H ASP 18 7.961 5.096 -16.509 139 HA ASP 18 HA ASP 18 5.815 6.914 -16.796 140 HB2 ASP 18 1HB ASP 18 8.019 7.746 -17.271 141 HB3 ASP 18 2HB ASP 18 8.311 6.476 -18.455 142 H TYR 19 H TYR 19 7.115 4.312 -18.796 143 HA TYR 19 HA TYR 19 5.279 4.470 -20.924 144 HB2 TYR 19 1HB TYR 19 6.872 2.927 -21.512 145 HB3 TYR 19 2HB TYR 19 7.148 2.426 -19.843 146 HD1 TYR 19 HD1 TYR 19 4.748 2.200 -22.649 147 HD2 TYR 19 HD2 TYR 19 6.100 0.460 -18.966 148 HE1 TYR 19 HE1 TYR 19 3.206 0.309 -22.986 149 HE2 TYR 19 HE2 TYR 19 4.558 -1.447 -19.306 150 HH TYR 19 HH TYR 19 3.068 -2.423 -20.688 151 H MET 20 H MET 20 5.282 2.372 -18.028 152 HA MET 20 HA MET 20 2.739 1.265 -18.283 153 HB2 MET 20 1HB MET 20 4.179 2.105 -15.756 154 HB3 MET 20 2HB MET 20 2.794 1.024 -15.818 155 HG2 MET 20 1HG MET 20 4.564 -0.044 -17.686 156 HG3 MET 20 2HG MET 20 5.597 0.455 -16.350 157 HE1 MET 20 3HE MET 20 2.516 -1.450 -17.499 158 HE2 MET 20 1HE MET 20 1.825 -0.565 -16.135 159 HE3 MET 20 2HE MET 20 1.962 -2.310 -16.066 160 H ALA 21 H ALA 21 3.809 4.247 -16.774 161 HA ALA 21 HA ALA 21 1.339 5.215 -15.867 162 HB1 ALA 21 1HB ALA 21 2.447 7.385 -15.807 163 HB2 ALA 21 2HB ALA 21 3.715 6.796 -16.876 164 HB3 ALA 21 3HB ALA 21 3.561 6.138 -15.250 165 H THR 22 H THR 22 2.939 5.339 -19.009 166 HA THR 22 HA THR 22 1.159 7.128 -20.290 167 HB THR 22 HB THR 22 3.454 5.562 -20.919 168 HG1 THR 22 HG1 THR 22 2.024 7.139 -22.773 169 HG21 THR 22 3HG2 THR 22 2.811 4.644 -23.127 170 HG22 THR 22 1HG2 THR 22 1.122 4.993 -22.755 171 HG23 THR 22 2HG2 THR 22 2.014 3.821 -21.789 172 H GLN 23 H GLN 23 1.298 3.698 -19.648 173 HA GLN 23 HA GLN 23 -1.080 2.902 -21.036 174 HB2 GLN 23 1HB GLN 23 0.999 1.576 -19.878 175 HB3 GLN 23 2HB GLN 23 -0.238 1.407 -18.642 176 HG2 GLN 23 1HG GLN 23 -0.560 -0.474 -20.018 177 HG3 GLN 23 2HG GLN 23 -1.794 0.664 -20.562 178 HE21 GLN 23 2HE2 GLN 23 1.372 -0.747 -21.413 179 HE22 GLN 23 1HE2 GLN 23 1.306 -0.294 -23.048 180 H GLY 24 H GLY 24 -0.510 4.834 -18.433 181 HA2 GLY 24 1HA GLY 24 -2.012 5.863 -17.013 182 HA3 GLY 24 2HA GLY 24 -3.250 4.710 -17.519 183 H VAL 25 H VAL 25 -0.304 3.337 -16.875 184 HA VAL 25 HA VAL 25 -1.179 2.241 -14.275 185 HB VAL 25 HB VAL 25 0.926 1.213 -16.184 186 HG11 VAL 25 1HG1 VAL 25 1.250 0.216 -14.135 187 HG12 VAL 25 2HG1 VAL 25 0.137 -0.911 -14.912 188 HG13 VAL 25 3HG1 VAL 25 -0.460 0.247 -13.727 189 HG21 VAL 25 3HG2 VAL 25 -1.805 -0.017 -15.985 190 HG22 VAL 25 1HG2 VAL 25 -0.651 -0.065 -17.316 191 HG23 VAL 25 2HG2 VAL 25 -1.594 1.393 -17.020 192 H ILE 26 H ILE 26 -0.452 3.516 -12.807 193 HA ILE 26 HA ILE 26 2.002 4.948 -13.067 194 HB ILE 26 HB ILE 26 0.354 4.694 -10.574 195 HG12 ILE 26 1HG1 ILE 26 -0.714 6.862 -11.668 196 HG13 ILE 26 2HG1 ILE 26 -0.271 6.059 -13.175 197 HG21 ILE 26 1HG2 ILE 26 1.145 7.038 -10.340 198 HG22 ILE 26 2HG2 ILE 26 2.066 6.840 -11.830 199 HG23 ILE 26 3HG2 ILE 26 2.470 5.875 -10.410 200 HD11 ILE 26 3HD1 ILE 26 -1.799 4.365 -12.870 201 HD12 ILE 26 1HD1 ILE 26 -2.620 5.614 -11.946 202 HD13 ILE 26 2HD1 ILE 26 -1.649 4.398 -11.117 203 H LEU 27 H LEU 27 3.877 3.992 -12.811 204 HA LEU 27 HA LEU 27 4.251 2.162 -10.524 205 HB2 LEU 27 1HB LEU 27 5.620 2.359 -13.152 206 HB3 LEU 27 2HB LEU 27 6.589 1.934 -11.748 207 HG LEU 27 HG LEU 27 4.324 0.368 -11.463 208 HD11 LEU 27 1HD1 LEU 27 3.909 1.201 -13.883 209 HD12 LEU 27 2HD1 LEU 27 3.798 -0.525 -13.573 210 HD13 LEU 27 3HD1 LEU 27 5.249 0.142 -14.314 211 HD21 LEU 27 3HD2 LEU 27 6.624 -0.346 -11.023 212 HD22 LEU 27 1HD2 LEU 27 7.023 -0.215 -12.733 213 HD23 LEU 27 2HD2 LEU 27 5.901 -1.456 -12.184 214 H THR 28 H THR 28 7.011 2.598 -10.298 215 HA THR 28 HA THR 28 7.821 5.259 -10.294 216 HB THR 28 HB THR 28 6.534 4.318 -7.722 217 HG1 THR 28 HG1 THR 28 5.570 5.729 -9.547 218 HG21 THR 28 3HG2 THR 28 8.589 6.492 -8.135 219 HG22 THR 28 1HG2 THR 28 8.663 5.134 -7.008 220 HG23 THR 28 2HG2 THR 28 7.514 6.444 -6.739 221 H ILE 29 H ILE 29 9.876 5.490 -9.018 222 HA ILE 29 HA ILE 29 11.156 2.850 -8.807 223 HB ILE 29 HB ILE 29 12.850 5.266 -8.813 224 HG12 ILE 29 1HG1 ILE 29 11.038 5.874 -10.436 225 HG13 ILE 29 2HG1 ILE 29 12.604 5.651 -11.202 226 HG21 ILE 29 1HG2 ILE 29 12.815 2.557 -10.160 227 HG22 ILE 29 2HG2 ILE 29 13.891 3.114 -8.881 228 HG23 ILE 29 3HG2 ILE 29 14.037 3.778 -10.507 229 HD11 ILE 29 3HD1 ILE 29 11.568 3.111 -11.292 230 HD12 ILE 29 1HD1 ILE 29 11.510 4.270 -12.617 231 HD13 ILE 29 2HD1 ILE 29 10.133 4.102 -11.539 232 H GLN 30 H GLN 30 11.334 2.108 -6.857 233 HA GLN 30 HA GLN 30 11.650 3.922 -4.568 234 HB2 GLN 30 1HB GLN 30 10.777 1.077 -4.920 235 HB3 GLN 30 2HB GLN 30 11.504 1.549 -3.389 236 HG2 GLN 30 1HG GLN 30 9.152 2.944 -4.675 237 HG3 GLN 30 2HG GLN 30 9.042 1.776 -3.360 238 HE21 GLN 30 2HE2 GLN 30 8.855 5.003 -3.774 239 HE22 GLN 30 1HE2 GLN 30 9.574 5.539 -2.335 240 H GLN 31 H GLN 31 13.486 3.486 -3.080 241 HA GLN 31 HA GLN 31 15.698 2.182 -4.539 242 HB2 GLN 31 1HB GLN 31 15.794 4.707 -4.274 243 HB3 GLN 31 2HB GLN 31 16.032 4.422 -2.551 244 HG2 GLN 31 1HG GLN 31 18.222 4.103 -2.953 245 HG3 GLN 31 2HG GLN 31 17.801 2.664 -3.877 246 HE21 GLN 31 2HE2 GLN 31 16.458 3.917 -6.080 247 HE22 GLN 31 1HE2 GLN 31 17.598 4.825 -6.952 248 H HIS 32 H HIS 32 15.857 0.226 -3.619 249 HA HIS 32 HA HIS 32 16.134 0.079 -0.675 250 HB2 HIS 32 1HB HIS 32 14.438 -1.411 -2.068 251 HB3 HIS 32 2HB HIS 32 15.892 -2.341 -2.421 252 HD1 HIS 32 HD1 HIS 32 16.221 -4.184 -0.812 253 HD2 HIS 32 HD2 HIS 32 14.393 -0.902 0.994 254 HE1 HIS 32 HE1 HIS 32 15.875 -4.800 1.622 255 H ASN 33 H ASN 33 17.383 -0.882 -3.781 256 HA ASN 33 HA ASN 33 20.105 -0.675 -2.883 257 HB2 ASN 33 1HB ASN 33 19.785 -2.939 -2.158 258 HB3 ASN 33 2HB ASN 33 18.939 -3.354 -3.648 259 HD21 ASN 33 2HD2 ASN 33 22.026 -1.556 -3.161 260 HD22 ASN 33 1HD2 ASN 33 22.948 -2.601 -4.125 261 H GLN 34 H GLN 34 17.738 -1.552 -5.281 262 HA GLN 34 HA GLN 34 19.400 -0.314 -7.384 263 HB2 GLN 34 1HB GLN 34 17.535 -2.650 -7.865 264 HB3 GLN 34 2HB GLN 34 18.726 -1.966 -8.972 265 HG2 GLN 34 1HG GLN 34 20.534 -2.918 -7.831 266 HG3 GLN 34 2HG GLN 34 19.628 -3.064 -6.327 267 HE21 GLN 34 2HE2 GLN 34 18.089 -4.081 -9.315 268 HE22 GLN 34 1HE2 GLN 34 18.188 -5.746 -9.013 269 H SER 35 H SER 35 17.381 -0.545 -9.375 270 HA SER 35 HA SER 35 15.600 1.588 -8.526 271 HB2 SER 35 1HB SER 35 15.205 0.365 -11.163 272 HB3 SER 35 2HB SER 35 15.375 2.054 -10.721 273 HG SER 35 HG SER 35 17.330 0.106 -11.260 274 H ASP 36 H ASP 36 14.484 0.331 -6.897 275 HA ASP 36 HA ASP 36 12.867 -1.906 -7.639 276 HB2 ASP 36 1HB ASP 36 12.496 0.029 -5.356 277 HB3 ASP 36 2HB ASP 36 11.751 -1.559 -5.509 278 H VAL 37 H VAL 37 11.262 -1.819 -8.982 279 HA VAL 37 HA VAL 37 9.912 0.728 -9.415 280 HB VAL 37 HB VAL 37 9.060 -1.506 -11.070 281 HG11 VAL 37 1HG1 VAL 37 9.743 0.163 -12.822 282 HG12 VAL 37 2HG1 VAL 37 10.340 1.203 -11.534 283 HG13 VAL 37 3HG1 VAL 37 8.624 0.812 -11.630 284 HG21 VAL 37 3HG2 VAL 37 11.407 -2.221 -10.571 285 HG22 VAL 37 1HG2 VAL 37 11.982 -0.674 -11.173 286 HG23 VAL 37 2HG2 VAL 37 11.177 -1.808 -12.253 287 H TRP 38 H TRP 38 8.284 1.111 -8.139 288 HA TRP 38 HA TRP 38 6.600 -1.101 -7.179 289 HB2 TRP 38 1HB TRP 38 7.062 1.738 -6.261 290 HB3 TRP 38 2HB TRP 38 5.694 0.789 -5.684 291 HD1 TRP 38 HD1 TRP 38 9.418 -0.212 -6.221 292 HE1 TRP 38 HE1 TRP 38 10.230 -1.283 -4.010 293 HE3 TRP 38 HE3 TRP 38 5.223 0.324 -3.459 294 HZ2 TRP 38 HZ2 TRP 38 9.174 -1.848 -1.386 295 HZ3 TRP 38 HZ3 TRP 38 5.110 -0.465 -1.151 296 HH2 TRP 38 HH2 TRP 38 7.072 -1.562 -0.080 297 H LEU 39 H LEU 39 4.274 -0.833 -7.198 298 HA LEU 39 HA LEU 39 3.366 0.747 -9.521 299 HB2 LEU 39 1HB LEU 39 2.926 -1.606 -9.831 300 HB3 LEU 39 2HB LEU 39 2.168 -1.711 -8.249 301 HG LEU 39 HG LEU 39 0.478 -0.012 -9.058 302 HD11 LEU 39 1HD1 LEU 39 2.169 -0.331 -11.492 303 HD12 LEU 39 2HD1 LEU 39 1.262 1.067 -10.929 304 HD13 LEU 39 3HD1 LEU 39 0.426 -0.248 -11.739 305 HD21 LEU 39 3HD2 LEU 39 0.202 -2.525 -9.026 306 HD22 LEU 39 1HD2 LEU 39 0.623 -2.511 -10.736 307 HD23 LEU 39 2HD2 LEU 39 -0.816 -1.674 -10.177 308 H ALA 40 H ALA 40 1.696 2.116 -9.341 309 HA ALA 40 HA ALA 40 0.778 2.753 -6.596 310 HB1 ALA 40 1HB ALA 40 1.794 4.362 -8.692 311 HB2 ALA 40 2HB ALA 40 1.100 4.899 -7.163 312 HB3 ALA 40 3HB ALA 40 0.068 4.713 -8.578 313 H ASP 41 H ASP 41 -0.093 1.995 -9.859 314 HA ASP 41 HA ASP 41 -2.962 2.211 -9.371 315 HB2 ASP 41 1HB ASP 41 -1.578 2.619 -11.630 316 HB3 ASP 41 2HB ASP 41 -1.840 0.892 -11.805 317 H GLU 42 H GLU 42 -2.073 0.519 -7.538 318 HA GLU 42 HA GLU 42 -1.415 -2.025 -7.916 319 HB2 GLU 42 1HB GLU 42 -3.521 -0.933 -6.090 320 HB3 GLU 42 2HB GLU 42 -2.966 -2.614 -6.014 321 HG2 GLU 42 1HG GLU 42 -1.072 -1.985 -4.976 322 HG3 GLU 42 2HG GLU 42 -0.684 -0.898 -6.302 323 H SER 43 H SER 43 -4.474 -0.741 -8.957 324 HA SER 43 HA SER 43 -5.893 -3.119 -9.429 325 HB2 SER 43 1HB SER 43 -6.107 -1.243 -11.613 326 HB3 SER 43 2HB SER 43 -7.295 -1.626 -10.374 327 HG SER 43 HG SER 43 -5.438 0.439 -10.539 328 H GLN 44 H GLN 44 -3.239 -1.582 -10.880 329 HA GLN 44 HA GLN 44 -3.074 -3.216 -13.267 330 HB2 GLN 44 1HB GLN 44 -1.449 -0.929 -12.167 331 HB3 GLN 44 2HB GLN 44 -1.132 -1.716 -13.692 332 HG2 GLN 44 1HG GLN 44 -3.621 -0.215 -12.913 333 HG3 GLN 44 2HG GLN 44 -2.439 0.267 -14.120 334 HE21 GLN 44 2HE2 GLN 44 -5.391 -0.330 -14.443 335 HE22 GLN 44 1HE2 GLN 44 -5.466 -1.538 -15.633 336 H ALA 45 H ALA 45 -2.009 -3.402 -10.068 337 HA ALA 45 HA ALA 45 0.574 -4.185 -9.941 338 HB1 ALA 45 1HB ALA 45 -0.868 -4.380 -8.023 339 HB2 ALA 45 2HB ALA 45 -0.135 -5.955 -8.334 340 HB3 ALA 45 3HB ALA 45 -1.804 -5.649 -8.814 341 H GLU 46 H GLU 46 -1.911 -6.566 -10.474 342 HA GLU 46 HA GLU 46 -0.370 -8.689 -11.336 343 HB2 GLU 46 1HB GLU 46 -2.468 -9.466 -12.376 344 HB3 GLU 46 2HB GLU 46 -2.770 -8.785 -10.776 345 HG2 GLU 46 1HG GLU 46 -3.267 -6.572 -11.935 346 HG3 GLU 46 2HG GLU 46 -3.229 -7.447 -13.464 347 H ARG 47 H ARG 47 -1.796 -6.036 -13.117 348 HA ARG 47 HA ARG 47 -1.131 -6.783 -15.741 349 HB2 ARG 47 1HB ARG 47 -2.617 -4.820 -14.773 350 HB3 ARG 47 2HB ARG 47 -1.103 -3.925 -14.878 351 HG2 ARG 47 1HG ARG 47 -1.479 -5.419 -17.306 352 HG3 ARG 47 2HG ARG 47 -2.926 -4.455 -16.968 353 HD2 ARG 47 1HD ARG 47 -1.365 -2.528 -16.444 354 HD3 ARG 47 2HD ARG 47 -0.075 -3.502 -17.125 355 HE ARG 47 HE ARG 47 -0.872 -2.989 -19.235 356 HH11 ARG 47 1HH2 ARG 47 -3.284 -2.396 -16.808 357 HH12 ARG 47 2HH2 ARG 47 -4.414 -1.668 -17.906 358 HH21 ARG 47 1HH1 ARG 47 -2.377 -2.032 -20.681 359 HH22 ARG 47 2HH1 ARG 47 -3.899 -1.468 -20.091 360 H VAL 48 H VAL 48 0.293 -4.341 -13.759 361 HA VAL 48 HA VAL 48 2.626 -3.881 -15.160 362 HB VAL 48 HB VAL 48 2.094 -3.794 -12.187 363 HG11 VAL 48 1HG1 VAL 48 4.427 -3.570 -12.601 364 HG12 VAL 48 2HG1 VAL 48 3.803 -1.945 -12.359 365 HG13 VAL 48 3HG1 VAL 48 4.153 -2.527 -13.985 366 HG21 VAL 48 3HG2 VAL 48 1.963 -1.321 -13.660 367 HG22 VAL 48 1HG2 VAL 48 0.737 -2.070 -12.646 368 HG23 VAL 48 2HG2 VAL 48 0.853 -2.504 -14.348 369 H ARG 49 H ARG 49 2.348 -5.824 -12.192 370 HA ARG 49 HA ARG 49 4.839 -6.957 -12.204 371 HB2 ARG 49 1HB ARG 49 2.190 -7.909 -11.229 372 HB3 ARG 49 2HB ARG 49 3.489 -9.092 -11.332 373 HG2 ARG 49 1HG ARG 49 4.679 -6.833 -10.188 374 HG3 ARG 49 2HG ARG 49 3.103 -6.967 -9.403 375 HD2 ARG 49 1HD ARG 49 4.094 -8.533 -8.111 376 HD3 ARG 49 2HD ARG 49 3.881 -9.579 -9.510 377 HE ARG 49 HE ARG 49 6.380 -8.045 -8.989 378 HH11 ARG 49 1HH2 ARG 49 4.673 -10.898 -10.038 379 HH12 ARG 49 2HH2 ARG 49 6.107 -11.731 -10.535 380 HH21 ARG 49 1HH1 ARG 49 8.243 -9.142 -9.584 381 HH22 ARG 49 2HH1 ARG 49 8.148 -10.737 -10.262 382 H ALA 50 H ALA 50 2.061 -7.831 -14.165 383 HA ALA 50 HA ALA 50 3.324 -10.143 -15.349 384 HB1 ALA 50 1HB ALA 50 0.906 -8.559 -16.262 385 HB2 ALA 50 2HB ALA 50 0.858 -9.955 -15.193 386 HB3 ALA 50 3HB ALA 50 1.387 -10.145 -16.860 387 H GLU 51 H GLU 51 2.539 -6.829 -16.319 388 HA GLU 51 HA GLU 51 3.490 -6.650 -18.874 389 HB2 GLU 51 1HB GLU 51 3.921 -4.722 -16.583 390 HB3 GLU 51 2HB GLU 51 4.292 -4.336 -18.255 391 HG2 GLU 51 1HG GLU 51 1.617 -5.467 -18.008 392 HG3 GLU 51 2HG GLU 51 1.799 -4.049 -16.989 393 H LEU 52 H LEU 52 5.457 -6.288 -15.937 394 HA LEU 52 HA LEU 52 7.885 -5.874 -16.931 395 HB2 LEU 52 1HB LEU 52 7.125 -7.752 -14.742 396 HB3 LEU 52 2HB LEU 52 8.807 -7.532 -15.227 397 HG LEU 52 HG LEU 52 7.794 -6.036 -13.322 398 HD11 LEU 52 1HD1 LEU 52 9.209 -4.123 -14.587 399 HD12 LEU 52 2HD1 LEU 52 9.682 -5.519 -15.539 400 HD13 LEU 52 3HD1 LEU 52 9.955 -5.508 -13.803 401 HD21 LEU 52 3HD2 LEU 52 6.868 -4.655 -15.868 402 HD22 LEU 52 1HD2 LEU 52 7.075 -3.825 -14.330 403 HD23 LEU 52 2HD2 LEU 52 5.891 -5.108 -14.477 404 H ALA 53 H ALA 53 7.347 -9.290 -16.209 405 HA ALA 53 HA ALA 53 9.228 -10.442 -17.737 406 HB1 ALA 53 1HB ALA 53 6.778 -11.860 -18.326 407 HB2 ALA 53 2HB ALA 53 6.811 -11.359 -16.639 408 HB3 ALA 53 3HB ALA 53 8.122 -12.337 -17.290 409 H ARG 54 H ARG 54 6.264 -9.002 -19.029 410 HA ARG 54 HA ARG 54 6.911 -9.862 -21.742 411 HB2 ARG 54 1HB ARG 54 4.806 -8.021 -20.613 412 HB3 ARG 54 2HB ARG 54 5.021 -8.287 -22.341 413 HG2 ARG 54 1HG ARG 54 3.803 -10.179 -22.194 414 HG3 ARG 54 2HG ARG 54 5.017 -10.849 -21.101 415 HD2 ARG 54 1HD ARG 54 3.309 -10.887 -19.596 416 HD3 ARG 54 2HD ARG 54 3.668 -9.178 -19.413 417 HE ARG 54 HE ARG 54 1.625 -8.726 -20.378 418 HH11 ARG 54 1HH2 ARG 54 2.691 -11.911 -21.247 419 HH12 ARG 54 2HH2 ARG 54 1.213 -12.333 -22.044 420 HH21 ARG 54 1HH1 ARG 54 -0.298 -9.270 -21.424 421 HH22 ARG 54 2HH1 ARG 54 -0.472 -10.839 -22.144 422 H PHE 55 H PHE 55 6.724 -6.901 -19.918 423 HA PHE 55 HA PHE 55 7.800 -5.032 -21.619 424 HB2 PHE 55 1HB PHE 55 6.964 -4.152 -19.685 425 HB3 PHE 55 2HB PHE 55 7.569 -5.476 -18.712 426 HD1 PHE 55 HD1 PHE 55 8.811 -2.637 -20.738 427 HD2 PHE 55 HD2 PHE 55 9.296 -5.095 -17.296 428 HE1 PHE 55 HE1 PHE 55 10.742 -1.250 -20.009 429 HE2 PHE 55 HE2 PHE 55 11.210 -3.757 -16.564 430 HZ PHE 55 HZ PHE 55 11.953 -1.802 -17.916 431 H LEU 56 H LEU 56 9.306 -7.690 -20.036 432 HA LEU 56 HA LEU 56 12.008 -6.675 -20.273 433 HB2 LEU 56 1HB LEU 56 11.160 -9.515 -19.708 434 HB3 LEU 56 2HB LEU 56 12.658 -8.717 -19.248 435 HG LEU 56 HG LEU 56 9.975 -8.537 -18.044 436 HD11 LEU 56 1HD1 LEU 56 11.431 -9.715 -16.734 437 HD12 LEU 56 2HD1 LEU 56 11.593 -8.091 -16.061 438 HD13 LEU 56 3HD1 LEU 56 12.808 -8.710 -17.183 439 HD21 LEU 56 3HD2 LEU 56 10.828 -6.329 -16.977 440 HD22 LEU 56 1HD2 LEU 56 10.078 -6.271 -18.563 441 HD23 LEU 56 2HD2 LEU 56 11.830 -6.210 -18.420 442 H GLU 57 H GLU 57 10.098 -9.266 -21.781 443 HA GLU 57 HA GLU 57 12.149 -9.571 -23.852 444 HB2 GLU 57 1HB GLU 57 9.767 -11.124 -24.322 445 HB3 GLU 57 2HB GLU 57 11.405 -11.684 -24.009 446 HG2 GLU 57 1HG GLU 57 10.768 -11.041 -21.495 447 HG3 GLU 57 2HG GLU 57 9.129 -11.287 -22.104 448 H ASN 58 H ASN 58 9.435 -7.709 -23.281 449 HA ASN 58 HA ASN 58 9.288 -6.962 -26.101 450 HB2 ASN 58 1HB ASN 58 7.343 -8.732 -24.836 451 HB3 ASN 58 2HB ASN 58 6.609 -7.315 -25.575 452 HD21 ASN 58 2HD2 ASN 58 7.987 -10.403 -26.238 453 HD22 ASN 58 1HD2 ASN 58 8.002 -10.267 -27.929 454 HA PRO 59 HA PRO 59 8.178 -3.699 -22.854 455 HB2 PRO 59 1HB PRO 59 10.289 -2.025 -23.631 456 HB3 PRO 59 2HB PRO 59 10.275 -3.029 -22.176 457 HG2 PRO 59 1HG PRO 59 11.629 -3.467 -24.752 458 HG3 PRO 59 2HG PRO 59 12.067 -4.033 -23.134 459 HD2 PRO 59 1HD PRO 59 10.967 -5.648 -25.068 460 HD3 PRO 59 2HD PRO 59 10.816 -5.955 -23.327 461 H ALA 60 H ALA 60 8.311 -1.132 -23.752 462 HA ALA 60 HA ALA 60 7.582 0.328 -25.392 463 HB1 ALA 60 1HB ALA 60 7.717 -1.731 -27.539 464 HB2 ALA 60 2HB ALA 60 9.234 -1.334 -26.734 465 HB3 ALA 60 3HB ALA 60 8.306 -0.069 -27.537 466 H ASP 61 H ASP 61 6.439 -2.980 -26.084 467 HA ASP 61 HA ASP 61 3.773 -1.978 -26.719 468 HB2 ASP 61 1HB ASP 61 5.127 -4.008 -27.798 469 HB3 ASP 61 2HB ASP 61 4.341 -4.898 -26.498 470 H LEU 62 H LEU 62 2.291 -4.193 -25.767 471 HA LEU 62 HA LEU 62 2.411 -3.729 -22.841 472 HB2 LEU 62 1HB LEU 62 0.432 -2.835 -24.400 473 HB3 LEU 62 2HB LEU 62 -0.174 -4.461 -24.112 474 HG LEU 62 HG LEU 62 0.727 -2.565 -21.931 475 HD11 LEU 62 1HD1 LEU 62 -1.629 -2.517 -23.469 476 HD12 LEU 62 2HD1 LEU 62 -1.327 -1.664 -21.961 477 HD13 LEU 62 3HD1 LEU 62 -2.079 -3.260 -21.934 478 HD21 LEU 62 3HD2 LEU 62 -0.570 -4.274 -20.534 479 HD22 LEU 62 1HD2 LEU 62 0.966 -4.822 -21.196 480 HD23 LEU 62 2HD2 LEU 62 -0.547 -5.310 -21.961 481 H ASP 63 H ASP 63 0.223 -5.933 -24.463 482 HA ASP 63 HA ASP 63 1.296 -8.150 -22.900 483 HB2 ASP 63 1HB ASP 63 -1.120 -7.977 -24.721 484 HB3 ASP 63 2HB ASP 63 -0.691 -9.368 -23.734
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