NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
478228 | 2l2d | 17132 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 11 HT1 SER 11 1.800 -0.265 -0.116 2 H2 SER 11 HT2 SER 11 1.188 1.178 -0.755 3 H3 SER 11 HT3 SER 11 2.437 1.215 0.382 4 HA SER 11 HA SER 11 3.940 0.159 -1.120 5 HB2 SER 11 HB2 SER 11 2.193 -1.192 -2.309 6 HB3 SER 11 HB1 SER 11 1.646 0.267 -3.131 7 HG SER 11 HG SER 11 4.236 -0.894 -3.313 8 H ALA 12 HN ALA 12 5.032 2.062 -0.805 9 HA ALA 12 HA ALA 12 4.550 4.250 -2.741 10 HB1 ALA 12 HB1 ALA 12 5.208 4.672 0.196 11 HB2 ALA 12 HB2 ALA 12 3.649 4.996 -0.566 12 HB3 ALA 12 HB3 ALA 12 5.069 5.938 -1.029 13 H GLU 13 HN GLU 13 6.369 5.051 -3.678 14 HA GLU 13 HA GLU 13 8.505 5.250 -4.436 15 HB2 GLU 13 HB2 GLU 13 9.270 4.713 -1.529 16 HB3 GLU 13 HB1 GLU 13 10.368 5.346 -2.757 17 HG2 GLU 13 HG2 GLU 13 8.978 7.368 -2.961 18 HG3 GLU 13 HG1 GLU 13 7.855 6.728 -1.761 19 H CYS 14 HN CYS 14 7.211 2.479 -4.097 20 HA CYS 14 HA CYS 14 9.240 0.522 -3.686 21 HB2 CYS 14 HB2 CYS 14 6.608 0.215 -5.204 22 HB3 CYS 14 HB1 CYS 14 7.545 -1.071 -4.436 23 HG CYS 14 HG CYS 14 7.096 0.886 -2.022 24 H TRP 15 HN TRP 15 8.030 2.271 -6.440 25 HA TRP 15 HA TRP 15 9.282 0.600 -8.474 26 HB2 TRP 15 HB2 TRP 15 7.735 3.217 -8.832 27 HB3 TRP 15 HB1 TRP 15 8.097 2.026 -10.077 28 HD1 TRP 15 HD1 TRP 15 6.451 -0.047 -10.290 29 HE1 TRP 15 HE1 TRP 15 4.183 -0.613 -9.226 30 HE3 TRP 15 HE3 TRP 15 6.403 3.441 -6.533 31 HZ2 TRP 15 HZ2 TRP 15 2.586 0.272 -7.071 32 HZ3 TRP 15 HZ3 TRP 15 4.473 3.513 -5.008 33 HH2 TRP 15 HH2 TRP 15 2.602 1.958 -5.273 34 H ALA 16 HN ALA 16 9.269 4.144 -7.894 35 HA ALA 16 HA ALA 16 12.185 4.332 -8.144 36 HB1 ALA 16 HB1 ALA 16 11.428 4.340 -10.506 37 HB2 ALA 16 HB2 ALA 16 12.083 5.914 -10.051 38 HB3 ALA 16 HB3 ALA 16 10.336 5.684 -10.160 39 H ALA 17 HN ALA 17 9.242 6.350 -8.357 40 HA ALA 17 HA ALA 17 8.614 8.359 -7.562 41 HB1 ALA 17 HB1 ALA 17 10.329 7.657 -5.149 42 HB2 ALA 17 HB2 ALA 17 8.624 7.260 -5.364 43 HB3 ALA 17 HB3 ALA 17 9.123 8.945 -5.218 44 H LEU 18 HN LEU 18 9.478 9.681 -9.092 45 HA LEU 18 HA LEU 18 12.259 10.240 -9.398 46 HB2 LEU 18 HB2 LEU 18 10.439 10.235 -11.216 47 HB3 LEU 18 HB1 LEU 18 9.951 11.808 -10.633 48 HG LEU 18 HG LEU 18 11.365 11.823 -12.719 49 HD11 LEU 18 HD11 LEU 18 11.209 13.851 -11.395 50 HD12 LEU 18 HD12 LEU 18 12.799 13.703 -12.140 51 HD13 LEU 18 HD13 LEU 18 12.594 13.353 -10.419 52 HD21 LEU 18 HD21 LEU 18 12.873 9.964 -12.151 53 HD22 LEU 18 HD22 LEU 18 13.649 10.965 -10.922 54 HD23 LEU 18 HD23 LEU 18 13.756 11.414 -12.625 55 H LEU 19 HN LEU 19 13.134 11.147 -7.605 56 HA LEU 19 HA LEU 19 12.082 13.730 -6.593 57 HB2 LEU 19 HB2 LEU 19 13.647 11.561 -5.122 58 HB3 LEU 19 HB1 LEU 19 13.207 13.118 -4.428 59 HG LEU 19 HG LEU 19 11.253 10.938 -5.292 60 HD11 LEU 19 HD11 LEU 19 12.011 11.861 -2.501 61 HD12 LEU 19 HD12 LEU 19 12.438 10.321 -3.251 62 HD13 LEU 19 HD13 LEU 19 10.752 10.685 -2.901 63 HD21 LEU 19 HD21 LEU 19 10.256 13.148 -5.643 64 HD22 LEU 19 HD22 LEU 19 10.662 13.625 -3.993 65 HD23 LEU 19 HD23 LEU 19 9.487 12.339 -4.279 66 H HIS 20 HN HIS 20 13.859 15.035 -5.498 67 HA HIS 20 HA HIS 20 15.852 16.058 -5.286 68 HB2 HIS 20 HB2 HIS 20 16.733 13.677 -5.100 69 HB3 HIS 20 HB1 HIS 20 17.135 13.746 -6.810 70 HD1 HIS 20 HD1 HIS 20 17.760 16.375 -4.141 71 HD2 HIS 20 HD2 HIS 20 19.873 13.899 -6.710 72 HE1 HIS 20 HE1 HIS 20 20.157 17.042 -3.869 73 HE2 HIS 20 HE2 HIS 20 21.433 15.483 -5.387 74 H ASP 21 HN ASP 21 14.211 15.900 -8.010 75 HA ASP 21 HA ASP 21 16.169 17.216 -9.793 76 HB2 ASP 21 HB2 ASP 21 15.085 15.236 -10.744 77 HB3 ASP 21 HB1 ASP 21 13.495 15.866 -10.343 78 HA PRO 22 HA PRO 22 14.035 21.121 -8.741 79 HB2 PRO 22 HB2 PRO 22 15.601 22.229 -11.046 80 HB3 PRO 22 HB1 PRO 22 15.564 22.747 -9.354 81 HG2 PRO 22 HG2 PRO 22 17.692 21.448 -10.337 82 HG3 PRO 22 HG1 PRO 22 17.118 21.134 -8.685 83 HD2 PRO 22 HD2 PRO 22 16.656 19.496 -11.189 84 HD3 PRO 22 HD1 PRO 22 17.113 18.953 -9.554 85 H MET 23 HN MET 23 14.470 20.146 -12.118 86 HA MET 23 HA MET 23 11.777 20.279 -12.932 87 HB2 MET 23 HB2 MET 23 12.036 22.745 -12.769 88 HB3 MET 23 HB1 MET 23 13.491 22.684 -13.750 89 HG2 MET 23 HG2 MET 23 12.103 21.853 -15.661 90 HG3 MET 23 HG1 MET 23 10.666 22.095 -14.663 91 HE1 MET 23 HE1 MET 23 9.692 23.652 -16.695 92 HE2 MET 23 HE2 MET 23 11.190 23.357 -17.580 93 HE3 MET 23 HE3 MET 23 10.601 25.006 -17.366 94 H THR 24 HN THR 24 15.030 21.079 -14.141 95 HA THR 24 HA THR 24 15.164 18.660 -15.741 96 HB THR 24 HB THR 24 14.170 20.059 -17.419 97 HG1 THR 24 HG1 THR 24 15.848 18.948 -18.326 98 HG21 THR 24 HG21 THR 24 16.201 22.237 -16.792 99 HG22 THR 24 HG22 THR 24 14.472 22.297 -16.435 100 HG23 THR 24 HG23 THR 24 15.027 22.272 -18.111 101 H LEU 25 HN LEU 25 16.797 21.772 -15.022 102 HA LEU 25 HA LEU 25 18.994 20.654 -13.649 103 HB2 LEU 25 HB2 LEU 25 19.509 19.928 -16.036 104 HB3 LEU 25 HB1 LEU 25 19.667 21.614 -16.476 105 HG LEU 25 HG LEU 25 21.433 20.489 -14.277 106 HD11 LEU 25 HD11 LEU 25 22.025 20.143 -17.231 107 HD12 LEU 25 HD12 LEU 25 21.643 18.858 -16.082 108 HD13 LEU 25 HD13 LEU 25 23.123 19.789 -15.894 109 HD21 LEU 25 HD21 LEU 25 23.060 22.146 -15.058 110 HD22 LEU 25 HD22 LEU 25 21.529 22.928 -14.680 111 HD23 LEU 25 HD23 LEU 25 21.977 22.641 -16.364 112 H ASP 26 HN ASP 26 19.603 22.249 -12.321 113 HA ASP 26 HA ASP 26 19.758 25.049 -13.269 114 HB2 ASP 26 HB2 ASP 26 17.891 24.797 -11.606 115 HB3 ASP 26 HB1 ASP 26 19.025 24.098 -10.450 116 H MET 27 HN MET 27 21.869 25.523 -13.418 117 HA MET 27 HA MET 27 23.959 23.814 -12.773 118 HB2 MET 27 HB2 MET 27 24.004 26.798 -13.346 119 HB3 MET 27 HB1 MET 27 25.472 25.841 -13.179 120 HG2 MET 27 HG2 MET 27 24.763 24.443 -15.088 121 HG3 MET 27 HG1 MET 27 23.324 25.451 -15.273 122 HE1 MET 27 HE1 MET 27 24.149 25.809 -17.911 123 HE2 MET 27 HE2 MET 27 25.585 24.845 -17.564 124 HE3 MET 27 HE3 MET 27 25.750 26.432 -18.313 125 H ASP 28 HN ASP 28 22.729 26.552 -10.878 126 HA ASP 28 HA ASP 28 24.842 26.588 -8.933 127 HB2 ASP 28 HB2 ASP 28 23.501 28.591 -9.380 128 HB3 ASP 28 HB1 ASP 28 22.032 27.764 -8.880 129 H ALA 29 HN ALA 29 21.645 25.062 -9.080 130 HA ALA 29 HA ALA 29 21.608 24.019 -6.411 131 HB1 ALA 29 HB1 ALA 29 19.546 24.291 -7.728 132 HB2 ALA 29 HB2 ALA 29 19.733 22.621 -7.190 133 HB3 ALA 29 HB3 ALA 29 20.091 23.058 -8.865 134 H VAL 30 HN VAL 30 22.572 22.707 -9.529 135 HA VAL 30 HA VAL 30 23.293 20.088 -8.748 136 HB VAL 30 HB VAL 30 24.200 21.762 -11.143 137 HG11 VAL 30 HG11 VAL 30 24.863 19.625 -12.222 138 HG12 VAL 30 HG12 VAL 30 24.526 18.770 -10.715 139 HG13 VAL 30 HG13 VAL 30 25.825 19.961 -10.780 140 HG21 VAL 30 HG21 VAL 30 21.761 21.352 -11.109 141 HG22 VAL 30 HG22 VAL 30 22.041 19.616 -10.958 142 HG23 VAL 30 HG23 VAL 30 22.526 20.463 -12.429 143 H LEU 31 HN LEU 31 25.015 23.146 -8.866 144 HA LEU 31 HA LEU 31 27.667 22.273 -8.352 145 HB2 LEU 31 HB2 LEU 31 27.121 24.511 -9.259 146 HB3 LEU 31 HB1 LEU 31 26.304 24.936 -7.765 147 HG LEU 31 HG LEU 31 28.535 24.752 -6.555 148 HD11 LEU 31 HD11 LEU 31 29.682 23.252 -8.105 149 HD12 LEU 31 HD12 LEU 31 30.595 24.746 -7.904 150 HD13 LEU 31 HD13 LEU 31 29.646 24.484 -9.371 151 HD21 LEU 31 HD21 LEU 31 28.432 26.776 -8.832 152 HD22 LEU 31 HD22 LEU 31 29.415 26.904 -7.370 153 HD23 LEU 31 HD23 LEU 31 27.657 26.952 -7.254 154 H SER 32 HN SER 32 25.146 23.611 -6.240 155 HA SER 32 HA SER 32 26.623 23.607 -3.838 156 HB2 SER 32 HB2 SER 32 24.638 25.054 -4.238 157 HB3 SER 32 HB1 SER 32 23.592 23.635 -4.185 158 HG SER 32 HG SER 32 25.344 24.211 -2.049 159 H ASP 33 HN ASP 33 24.272 21.303 -5.186 160 HA ASP 33 HA ASP 33 24.137 19.576 -2.929 161 HB2 ASP 33 HB2 ASP 33 22.345 19.513 -4.646 162 HB3 ASP 33 HB1 ASP 33 23.498 18.924 -5.847 163 H PHE 34 HN PHE 34 26.137 19.554 -5.895 164 HA PHE 34 HA PHE 34 27.435 17.096 -5.562 165 HB2 PHE 34 HB2 PHE 34 27.682 18.454 -7.620 166 HB3 PHE 34 HB1 PHE 34 28.601 19.667 -6.732 167 HD1 PHE 34 HD1 PHE 34 28.694 16.264 -8.168 168 HD2 PHE 34 HD2 PHE 34 30.941 19.251 -6.102 169 HE1 PHE 34 HE1 PHE 34 30.758 15.015 -8.582 170 HE2 PHE 34 HE2 PHE 34 33.007 18.003 -6.549 171 HZ PHE 34 HZ PHE 34 32.911 15.887 -7.779 172 H VAL 35 HN VAL 35 28.459 20.312 -4.454 173 HA VAL 35 HA VAL 35 30.757 19.640 -2.999 174 HB VAL 35 HB VAL 35 28.788 21.952 -2.681 175 HG11 VAL 35 HG11 VAL 35 30.078 21.786 -0.588 176 HG12 VAL 35 HG12 VAL 35 30.557 23.213 -1.512 177 HG13 VAL 35 HG13 VAL 35 31.588 21.780 -1.506 178 HG21 VAL 35 HG21 VAL 35 29.856 21.812 -4.895 179 HG22 VAL 35 HG22 VAL 35 31.452 21.784 -4.141 180 HG23 VAL 35 HG23 VAL 35 30.439 23.227 -4.011 181 H ARG 36 HN ARG 36 27.390 19.665 -2.065 182 HA ARG 36 HA ARG 36 27.678 19.269 0.758 183 HB2 ARG 36 HB2 ARG 36 25.730 20.378 -0.311 184 HB3 ARG 36 HB1 ARG 36 25.305 18.877 -1.125 185 HG2 ARG 36 HG2 ARG 36 24.831 17.834 1.080 186 HG3 ARG 36 HG1 ARG 36 25.256 19.355 1.875 187 HD2 ARG 36 HD2 ARG 36 23.423 20.471 0.527 188 HD3 ARG 36 HD1 ARG 36 22.934 18.863 -0.022 189 HE ARG 36 HE ARG 36 22.914 18.604 2.670 190 HH11 ARG 36 HH11 ARG 36 21.431 20.991 0.561 191 HH12 ARG 36 HH12 ARG 36 20.095 21.275 1.628 192 HH21 ARG 36 HH21 ARG 36 21.175 19.002 4.065 193 HH22 ARG 36 HH22 ARG 36 19.966 20.161 3.613 194 H SER 37 HN SER 37 27.449 17.157 -2.037 195 HA SER 37 HA SER 37 26.692 14.796 -0.459 196 HB2 SER 37 HB2 SER 37 25.441 15.353 -2.544 197 HB3 SER 37 HB1 SER 37 26.919 15.162 -3.478 198 HG SER 37 HG SER 37 25.228 13.258 -2.400 199 H THR 38 HN THR 38 29.482 16.151 -2.087 200 HA THR 38 HA THR 38 30.946 13.565 -1.969 201 HB THR 38 HB THR 38 32.504 14.520 -3.638 202 HG1 THR 38 HG1 THR 38 30.903 16.635 -4.359 203 HG21 THR 38 HG21 THR 38 29.606 14.696 -4.541 204 HG22 THR 38 HG22 THR 38 30.583 13.226 -4.483 205 HG23 THR 38 HG23 THR 38 31.009 14.522 -5.600 206 H GLY 39 HN GLY 39 30.918 16.886 -0.847 207 HA2 GLY 39 HA2 GLY 39 32.149 17.848 0.881 208 HA3 GLY 39 HA1 GLY 39 33.186 16.430 0.939 209 H ALA 40 HN ALA 40 32.866 17.548 -2.241 210 HA ALA 40 HA ALA 40 35.602 18.456 -2.414 211 HB1 ALA 40 HB1 ALA 40 33.398 18.440 -4.510 212 HB2 ALA 40 HB2 ALA 40 34.554 17.142 -4.217 213 HB3 ALA 40 HB3 ALA 40 35.119 18.701 -4.821 214 H GLU 41 HN GLU 41 36.177 20.574 -3.491 215 HA GLU 41 HA GLU 41 34.802 22.773 -2.171 216 HB2 GLU 41 HB2 GLU 41 36.671 24.104 -2.677 217 HB3 GLU 41 HB1 GLU 41 37.405 22.508 -2.583 218 HG2 GLU 41 HG2 GLU 41 37.292 22.358 -5.067 219 HG3 GLU 41 HG1 GLU 41 36.625 23.996 -5.105 220 HA PRO 42 HA PRO 42 32.012 24.003 -5.436 221 HB2 PRO 42 HB2 PRO 42 32.215 26.766 -5.500 222 HB3 PRO 42 HB1 PRO 42 31.389 25.876 -4.212 223 HG2 PRO 42 HG2 PRO 42 34.233 26.904 -4.278 224 HG3 PRO 42 HG1 PRO 42 33.015 27.107 -3.008 225 HD2 PRO 42 HD2 PRO 42 34.886 25.247 -2.745 226 HD3 PRO 42 HD1 PRO 42 33.208 24.867 -2.282 227 H GLY 43 HN GLY 43 35.288 25.401 -5.775 228 HA2 GLY 43 HA2 GLY 43 35.130 26.144 -8.527 229 HA3 GLY 43 HA1 GLY 43 36.603 25.843 -7.621 230 H LEU 44 HN LEU 44 36.463 23.296 -6.927 231 HA LEU 44 HA LEU 44 37.188 21.743 -9.167 232 HB2 LEU 44 HB2 LEU 44 38.012 21.249 -6.915 233 HB3 LEU 44 HB1 LEU 44 36.381 20.945 -6.344 234 HG LEU 44 HG LEU 44 36.283 18.931 -7.881 235 HD11 LEU 44 HD11 LEU 44 37.998 19.569 -9.509 236 HD12 LEU 44 HD12 LEU 44 38.375 18.012 -8.776 237 HD13 LEU 44 HD13 LEU 44 39.245 19.459 -8.261 238 HD21 LEU 44 HD21 LEU 44 37.622 17.483 -6.437 239 HD22 LEU 44 HD22 LEU 44 36.774 18.693 -5.478 240 HD23 LEU 44 HD23 LEU 44 38.499 18.881 -5.808 241 H ALA 45 HN ALA 45 34.222 22.012 -7.308 242 HA ALA 45 HA ALA 45 32.695 19.919 -8.355 243 HB1 ALA 45 HB1 ALA 45 31.752 22.618 -7.319 244 HB2 ALA 45 HB2 ALA 45 32.042 21.182 -6.339 245 HB3 ALA 45 HB3 ALA 45 30.738 21.182 -7.526 246 H ARG 46 HN ARG 46 32.628 23.356 -9.219 247 HA ARG 46 HA ARG 46 30.939 23.335 -11.418 248 HB2 ARG 46 HB2 ARG 46 31.453 25.438 -10.448 249 HB3 ARG 46 HB1 ARG 46 33.186 25.176 -10.520 250 HG2 ARG 46 HG2 ARG 46 31.740 25.371 -13.140 251 HG3 ARG 46 HG1 ARG 46 31.855 26.853 -12.191 252 HD2 ARG 46 HD2 ARG 46 34.273 26.756 -12.206 253 HD3 ARG 46 HD1 ARG 46 34.259 25.134 -12.914 254 HE ARG 46 HE ARG 46 33.043 26.421 -14.840 255 HH11 ARG 46 HH11 ARG 46 35.788 27.650 -13.031 256 HH12 ARG 46 HH12 ARG 46 36.479 28.446 -14.407 257 HH21 ARG 46 HH21 ARG 46 33.989 27.396 -16.636 258 HH22 ARG 46 HH22 ARG 46 35.468 28.291 -16.459 259 H ASP 47 HN ASP 47 34.446 22.810 -11.296 260 HA ASP 47 HA ASP 47 34.935 22.867 -14.103 261 HB2 ASP 47 HB2 ASP 47 36.703 23.281 -12.429 262 HB3 ASP 47 HB1 ASP 47 36.566 21.619 -11.853 263 H LEU 48 HN LEU 48 34.546 20.138 -11.802 264 HA LEU 48 HA LEU 48 34.751 18.000 -13.646 265 HB2 LEU 48 HB2 LEU 48 33.224 18.152 -11.009 266 HB3 LEU 48 HB1 LEU 48 33.389 16.676 -11.938 267 HG LEU 48 HG LEU 48 35.790 18.211 -10.855 268 HD11 LEU 48 HD11 LEU 48 35.927 16.502 -9.081 269 HD12 LEU 48 HD12 LEU 48 34.387 15.823 -9.613 270 HD13 LEU 48 HD13 LEU 48 34.451 17.460 -8.956 271 HD21 LEU 48 HD21 LEU 48 35.548 15.381 -11.957 272 HD22 LEU 48 HD22 LEU 48 37.013 16.117 -11.303 273 HD23 LEU 48 HD23 LEU 48 36.298 16.753 -12.780 274 H LEU 49 HN LEU 49 31.968 19.819 -12.457 275 HA LEU 49 HA LEU 49 29.900 18.392 -13.675 276 HB2 LEU 49 HB2 LEU 49 30.081 21.258 -12.706 277 HB3 LEU 49 HB1 LEU 49 28.591 20.593 -13.363 278 HG LEU 49 HG LEU 49 30.034 19.400 -10.954 279 HD11 LEU 49 HD11 LEU 49 28.327 20.421 -9.535 280 HD12 LEU 49 HD12 LEU 49 27.631 21.247 -10.932 281 HD13 LEU 49 HD13 LEU 49 29.260 21.653 -10.387 282 HD21 LEU 49 HD21 LEU 49 28.635 17.791 -12.163 283 HD22 LEU 49 HD22 LEU 49 27.251 18.880 -12.060 284 HD23 LEU 49 HD23 LEU 49 27.933 18.174 -10.593 285 H GLU 50 HN GLU 50 31.735 21.240 -14.927 286 HA GLU 50 HA GLU 50 30.281 21.533 -17.350 287 HB2 GLU 50 HB2 GLU 50 33.202 22.175 -16.779 288 HB3 GLU 50 HB1 GLU 50 32.356 22.658 -18.250 289 HG2 GLU 50 HG2 GLU 50 30.747 23.937 -16.796 290 HG3 GLU 50 HG1 GLU 50 31.787 23.573 -15.420 291 H GLY 51 HN GLY 51 32.948 19.407 -16.445 292 HA2 GLY 51 HA2 GLY 51 33.430 18.297 -19.066 293 HA3 GLY 51 HA1 GLY 51 34.050 17.707 -17.535 294 H LYS 52 HN LYS 52 31.008 17.718 -16.665 295 HA LYS 52 HA LYS 52 30.343 15.056 -17.797 296 HB2 LYS 52 HB2 LYS 52 29.188 16.259 -15.235 297 HB3 LYS 52 HB1 LYS 52 29.072 14.591 -15.793 298 HG2 LYS 52 HG2 LYS 52 31.516 16.012 -14.728 299 HG3 LYS 52 HG1 LYS 52 30.636 14.686 -13.978 300 HD2 LYS 52 HD2 LYS 52 31.436 13.127 -15.652 301 HD3 LYS 52 HD1 LYS 52 32.138 14.434 -16.613 302 HE2 LYS 52 HE2 LYS 52 33.697 14.933 -14.718 303 HE3 LYS 52 HE1 LYS 52 33.040 13.540 -13.855 304 HZ1 LYS 52 HZ1 LYS 52 33.767 12.155 -15.746 305 HZ2 LYS 52 HZ2 LYS 52 35.037 12.916 -14.932 306 HZ3 LYS 52 HZ3 LYS 52 34.516 13.515 -16.422 307 H ASN 53 HN ASN 53 29.593 18.119 -18.500 308 HA ASN 53 HA ASN 53 27.912 19.262 -19.503 309 HB2 ASN 53 HB2 ASN 53 27.728 17.274 -20.954 310 HB3 ASN 53 HB1 ASN 53 26.679 16.477 -19.797 311 HD21 ASN 53 HD21 ASN 53 24.504 16.932 -19.820 312 HD22 ASN 53 HD22 ASN 53 23.746 17.953 -20.990 313 H TRP 54 HN TRP 54 27.951 18.582 -16.612 314 HA TRP 54 HA TRP 54 27.040 19.314 -14.712 315 HB2 TRP 54 HB2 TRP 54 25.068 20.683 -16.573 316 HB3 TRP 54 HB1 TRP 54 24.995 20.862 -14.823 317 HD1 TRP 54 HD1 TRP 54 27.244 21.773 -17.824 318 HE1 TRP 54 HE1 TRP 54 28.794 23.694 -17.116 319 HE3 TRP 54 HE3 TRP 54 26.055 21.981 -12.862 320 HZ2 TRP 54 HZ2 TRP 54 29.440 25.114 -14.769 321 HZ3 TRP 54 HZ3 TRP 54 27.183 23.657 -11.441 322 HH2 TRP 54 HH2 TRP 54 28.842 25.189 -12.380 323 H ASP 55 HN ASP 55 26.177 16.845 -16.235 324 HA ASP 55 HA ASP 55 23.748 15.961 -15.019 325 HB2 ASP 55 HB2 ASP 55 26.119 14.451 -16.218 326 HB3 ASP 55 HB1 ASP 55 24.703 13.638 -15.554 327 H LEU 56 HN LEU 56 23.612 16.132 -12.924 328 HA LEU 56 HA LEU 56 25.576 16.477 -11.022 329 HB2 LEU 56 HB2 LEU 56 23.216 17.103 -10.713 330 HB3 LEU 56 HB1 LEU 56 22.741 15.413 -10.702 331 HG LEU 56 HG LEU 56 23.958 15.094 -8.539 332 HD11 LEU 56 HD11 LEU 56 25.684 16.811 -8.729 333 HD12 LEU 56 HD12 LEU 56 24.748 17.057 -7.256 334 HD13 LEU 56 HD13 LEU 56 24.466 18.087 -8.663 335 HD21 LEU 56 HD21 LEU 56 21.559 15.575 -8.505 336 HD22 LEU 56 HD22 LEU 56 21.876 17.313 -8.517 337 HD23 LEU 56 HD23 LEU 56 22.349 16.339 -7.125 338 H THR 57 HN THR 57 23.680 13.488 -11.546 339 HA THR 57 HA THR 57 24.935 11.946 -9.546 340 HB THR 57 HB THR 57 23.502 10.824 -11.995 341 HG1 THR 57 HG1 THR 57 21.610 11.248 -10.936 342 HG21 THR 57 HG21 THR 57 24.579 9.103 -10.570 343 HG22 THR 57 HG22 THR 57 22.821 9.023 -10.420 344 HG23 THR 57 HG23 THR 57 23.777 9.779 -9.146 345 H ALA 58 HN ALA 58 25.666 12.394 -12.967 346 HA ALA 58 HA ALA 58 27.555 10.291 -13.326 347 HB1 ALA 58 HB1 ALA 58 27.333 12.938 -14.811 348 HB2 ALA 58 HB2 ALA 58 26.486 11.447 -15.226 349 HB3 ALA 58 HB3 ALA 58 28.243 11.520 -15.354 350 H ALA 59 HN ALA 59 27.869 13.683 -12.346 351 HA ALA 59 HA ALA 59 30.727 13.786 -12.140 352 HB1 ALA 59 HB1 ALA 59 29.362 15.809 -12.389 353 HB2 ALA 59 HB2 ALA 59 30.343 15.889 -10.923 354 HB3 ALA 59 HB3 ALA 59 28.619 15.518 -10.815 355 H LEU 60 HN LEU 60 28.098 13.181 -9.812 356 HA LEU 60 HA LEU 60 29.566 12.973 -7.422 357 HB2 LEU 60 HB2 LEU 60 27.024 11.513 -8.243 358 HB3 LEU 60 HB1 LEU 60 27.639 11.566 -6.599 359 HG LEU 60 HG LEU 60 26.653 13.980 -8.184 360 HD11 LEU 60 HD11 LEU 60 25.287 12.510 -5.909 361 HD12 LEU 60 HD12 LEU 60 24.803 12.485 -7.607 362 HD13 LEU 60 HD13 LEU 60 24.712 13.987 -6.691 363 HD21 LEU 60 HD21 LEU 60 27.481 13.826 -5.268 364 HD22 LEU 60 HD22 LEU 60 26.798 15.234 -6.088 365 HD23 LEU 60 HD23 LEU 60 28.379 14.624 -6.564 366 H SER 61 HN SER 61 28.666 10.550 -9.838 367 HA SER 61 HA SER 61 29.767 8.265 -8.539 368 HB2 SER 61 HB2 SER 61 28.946 8.668 -11.445 369 HB3 SER 61 HB1 SER 61 29.337 7.108 -10.716 370 HG SER 61 HG SER 61 27.038 8.513 -10.631 371 H ASP 62 HN ASP 62 31.011 10.553 -10.926 372 HA ASP 62 HA ASP 62 33.362 9.127 -11.692 373 HB2 ASP 62 HB2 ASP 62 32.481 10.971 -13.069 374 HB3 ASP 62 HB1 ASP 62 32.742 12.115 -11.756 375 H TYR 63 HN TYR 63 32.800 11.786 -9.397 376 HA TYR 63 HA TYR 63 35.406 12.104 -8.419 377 HB2 TYR 63 HB2 TYR 63 33.602 13.768 -8.105 378 HB3 TYR 63 HB1 TYR 63 32.756 12.670 -7.022 379 HD1 TYR 63 HD2 TYR 63 35.666 14.958 -7.344 380 HD2 TYR 63 HD1 TYR 63 33.556 12.336 -4.700 381 HE1 TYR 63 HE2 TYR 63 36.876 15.902 -5.414 382 HE2 TYR 63 HE1 TYR 63 34.774 13.280 -2.793 383 HH TYR 63 HH TYR 63 36.527 16.133 -2.946 384 H GLU 64 HN GLU 64 32.668 10.179 -7.113 385 HA GLU 64 HA GLU 64 34.131 9.232 -4.864 386 HB2 GLU 64 HB2 GLU 64 32.271 7.785 -4.375 387 HB3 GLU 64 HB1 GLU 64 31.640 9.335 -4.919 388 HG2 GLU 64 HG2 GLU 64 31.216 8.338 -7.157 389 HG3 GLU 64 HG1 GLU 64 31.781 6.779 -6.548 390 H GLN 65 HN GLN 65 33.864 8.106 -8.186 391 HA GLN 65 HA GLN 65 34.816 5.447 -7.870 392 HB2 GLN 65 HB2 GLN 65 33.699 6.185 -9.934 393 HB3 GLN 65 HB1 GLN 65 35.009 7.305 -10.282 394 HG2 GLN 65 HG2 GLN 65 35.176 5.310 -11.682 395 HG3 GLN 65 HG1 GLN 65 36.558 5.419 -10.594 396 HE21 GLN 65 HE21 GLN 65 33.322 4.250 -9.676 397 HE22 GLN 65 HE22 GLN 65 33.805 2.620 -9.379 398 H LEU 66 HN LEU 66 36.540 8.468 -8.737 399 HA LEU 66 HA LEU 66 39.143 7.265 -8.643 400 HB2 LEU 66 HB2 LEU 66 40.017 9.593 -8.858 401 HB3 LEU 66 HB1 LEU 66 38.840 9.160 -10.077 402 HG LEU 66 HG LEU 66 37.138 10.442 -8.494 403 HD11 LEU 66 HD11 LEU 66 39.717 11.779 -7.636 404 HD12 LEU 66 HD12 LEU 66 38.625 10.848 -6.606 405 HD13 LEU 66 HD13 LEU 66 38.081 12.365 -7.315 406 HD21 LEU 66 HD21 LEU 66 39.110 11.957 -10.244 407 HD22 LEU 66 HD22 LEU 66 37.514 12.528 -9.745 408 HD23 LEU 66 HD23 LEU 66 37.653 11.123 -10.798 409 H ARG 67 HN ARG 67 36.989 8.379 -6.226 410 HA ARG 67 HA ARG 67 39.009 8.531 -4.147 411 HB2 ARG 67 HB2 ARG 67 35.991 8.741 -4.090 412 HB3 ARG 67 HB1 ARG 67 36.955 8.730 -2.620 413 HG2 ARG 67 HG2 ARG 67 37.267 10.796 -4.836 414 HG3 ARG 67 HG1 ARG 67 36.268 11.021 -3.400 415 HD2 ARG 67 HD2 ARG 67 38.324 12.139 -2.942 416 HD3 ARG 67 HD1 ARG 67 38.383 10.645 -2.009 417 HE ARG 67 HE ARG 67 39.813 11.063 -4.584 418 HH11 ARG 67 HH11 ARG 67 39.739 9.628 -1.385 419 HH12 ARG 67 HH12 ARG 67 41.357 9.015 -1.497 420 HH21 ARG 67 HH21 ARG 67 41.913 10.225 -4.719 421 HH22 ARG 67 HH22 ARG 67 42.586 9.354 -3.381 422 H GLN 68 HN GLN 68 36.970 6.028 -5.520 423 HA GLN 68 HA GLN 68 36.949 4.275 -3.249 424 HB2 GLN 68 HB2 GLN 68 36.493 3.606 -6.194 425 HB3 GLN 68 HB1 GLN 68 36.287 2.459 -4.876 426 HG2 GLN 68 HG2 GLN 68 34.624 4.906 -5.489 427 HG3 GLN 68 HG1 GLN 68 34.123 3.221 -5.510 428 HE21 GLN 68 HE21 GLN 68 34.777 6.010 -3.503 429 HE22 GLN 68 HE22 GLN 68 34.094 5.375 -2.048 430 H VAL 69 HN VAL 69 38.736 4.114 -6.341 431 HA VAL 69 HA VAL 69 40.595 3.055 -7.046 432 HB VAL 69 HB VAL 69 41.589 3.339 -4.170 433 HG11 VAL 69 HG11 VAL 69 43.180 2.960 -6.737 434 HG12 VAL 69 HG12 VAL 69 42.977 1.763 -5.457 435 HG13 VAL 69 HG13 VAL 69 43.868 3.251 -5.134 436 HG21 VAL 69 HG21 VAL 69 41.913 5.280 -6.501 437 HG22 VAL 69 HG22 VAL 69 42.640 5.457 -4.902 438 HG23 VAL 69 HG23 VAL 69 40.886 5.530 -5.084 439 H HIS 70 HN HIS 70 39.515 1.095 -7.536 440 HA HIS 70 HA HIS 70 39.110 -0.907 -5.449 441 HB2 HIS 70 HB2 HIS 70 37.888 -2.194 -7.247 442 HB3 HIS 70 HB1 HIS 70 37.217 -0.615 -6.881 443 HD1 HIS 70 HD1 HIS 70 37.477 1.250 -8.736 444 HD2 HIS 70 HD2 HIS 70 38.714 -2.546 -9.900 445 HE1 HIS 70 HE1 HIS 70 37.711 1.348 -11.234 446 HE2 HIS 70 HE2 HIS 70 38.541 -0.925 -11.904 447 H THR 71 HN THR 71 41.223 -1.483 -4.947 448 HA THR 71 HA THR 71 43.121 -2.726 -4.933 449 HB THR 71 HB THR 71 41.626 -4.484 -6.937 450 HG1 THR 71 HG1 THR 71 40.477 -5.222 -5.277 451 HG21 THR 71 HG21 THR 71 43.980 -5.226 -6.599 452 HG22 THR 71 HG22 THR 71 42.835 -6.379 -5.905 453 HG23 THR 71 HG23 THR 71 43.718 -5.260 -4.861 454 H ALA 72 HN ALA 72 43.119 -0.493 -6.611 455 HA ALA 72 HA ALA 72 44.460 -1.146 -9.131 456 HB1 ALA 72 HB1 ALA 72 44.255 1.259 -9.600 457 HB2 ALA 72 HB2 ALA 72 43.667 1.548 -7.959 458 HB3 ALA 72 HB3 ALA 72 42.709 0.588 -9.086 459 H ASN 73 HN ASN 73 45.209 0.174 -5.949 460 HA ASN 73 HA ASN 73 47.953 0.885 -6.678 461 HB2 ASN 73 HB2 ASN 73 46.714 2.369 -5.111 462 HB3 ASN 73 HB1 ASN 73 46.551 1.038 -3.974 463 HD21 ASN 73 HD21 ASN 73 49.470 1.862 -5.864 464 HD22 ASN 73 HD22 ASN 73 50.445 2.251 -4.494 465 H LEU 74 HN LEU 74 46.337 -1.326 -4.399 466 HA LEU 74 HA LEU 74 48.824 -2.821 -3.958 467 HB2 LEU 74 HB2 LEU 74 46.075 -3.054 -2.681 468 HB3 LEU 74 HB1 LEU 74 47.421 -4.112 -2.288 469 HG LEU 74 HG LEU 74 47.334 -1.099 -1.795 470 HD11 LEU 74 HD11 LEU 74 47.257 -1.675 0.589 471 HD12 LEU 74 HD12 LEU 74 47.235 -3.396 0.200 472 HD13 LEU 74 HD13 LEU 74 45.874 -2.369 -0.256 473 HD21 LEU 74 HD21 LEU 74 49.625 -1.830 -2.319 474 HD22 LEU 74 HD22 LEU 74 49.521 -3.100 -1.098 475 HD23 LEU 74 HD23 LEU 74 49.482 -1.403 -0.614 476 HA PRO 75 HA PRO 75 48.098 -6.033 -7.002 477 HB2 PRO 75 HB2 PRO 75 49.025 -7.898 -4.808 478 HB3 PRO 75 HB1 PRO 75 49.560 -7.791 -6.495 479 HG2 PRO 75 HG2 PRO 75 51.068 -6.763 -4.572 480 HG3 PRO 75 HG1 PRO 75 50.855 -5.875 -6.098 481 HD2 PRO 75 HD2 PRO 75 49.573 -5.376 -3.414 482 HD3 PRO 75 HD1 PRO 75 50.174 -4.210 -4.616 483 H HIS 76 HN HIS 76 47.065 -6.968 -3.688 484 HA HIS 76 HA HIS 76 44.472 -7.873 -4.663 485 HB2 HIS 76 HB2 HIS 76 44.647 -10.156 -3.728 486 HB3 HIS 76 HB1 HIS 76 45.834 -9.902 -4.990 487 HD1 HIS 76 HD1 HIS 76 45.578 -11.556 -1.928 488 HD2 HIS 76 HD2 HIS 76 48.475 -9.056 -3.548 489 HE1 HIS 76 HE1 HIS 76 47.681 -12.060 -0.651 490 HE2 HIS 76 HE2 HIS 76 49.448 -10.622 -1.730 491 H VAL 77 HN VAL 77 43.390 -6.438 -3.421 492 HA VAL 77 HA VAL 77 43.846 -6.189 -0.542 493 HB VAL 77 HB VAL 77 41.734 -4.830 -2.294 494 HG11 VAL 77 HG11 VAL 77 42.626 -4.149 0.543 495 HG12 VAL 77 HG12 VAL 77 41.076 -4.859 0.087 496 HG13 VAL 77 HG13 VAL 77 41.477 -3.219 -0.423 497 HG21 VAL 77 HG21 VAL 77 43.192 -2.825 -2.244 498 HG22 VAL 77 HG22 VAL 77 43.997 -4.187 -3.027 499 HG23 VAL 77 HG23 VAL 77 44.427 -3.740 -1.373 500 H PHE 78 HN PHE 78 43.098 -7.987 0.526 501 HA PHE 78 HA PHE 78 40.239 -8.656 0.275 502 HB2 PHE 78 HB2 PHE 78 42.499 -10.713 0.225 503 HB3 PHE 78 HB1 PHE 78 40.815 -11.122 0.531 504 HD1 PHE 78 HD2 PHE 78 39.075 -10.387 -1.298 505 HD2 PHE 78 HD1 PHE 78 43.280 -10.719 -2.022 506 HE1 PHE 78 HE2 PHE 78 38.652 -10.566 -3.713 507 HE2 PHE 78 HE1 PHE 78 42.839 -10.887 -4.437 508 HZ PHE 78 HZ PHE 78 40.529 -10.814 -5.283 509 H ASN 79 HN ASN 79 39.894 -7.505 2.149 510 HA ASN 79 HA ASN 79 40.858 -8.583 4.710 511 HB2 ASN 79 HB2 ASN 79 40.449 -6.083 4.369 512 HB3 ASN 79 HB1 ASN 79 38.737 -6.430 4.171 513 HD21 ASN 79 HD21 ASN 79 38.073 -5.230 5.957 514 HD22 ASN 79 HD22 ASN 79 38.460 -5.658 7.586 515 H GLU 80 HN GLU 80 38.979 -9.172 6.333 516 HA GLU 80 HA GLU 80 37.192 -11.137 5.315 517 HB2 GLU 80 HB2 GLU 80 37.114 -9.651 7.984 518 HB3 GLU 80 HB1 GLU 80 36.230 -11.130 7.612 519 HG2 GLU 80 HG2 GLU 80 38.320 -12.381 7.415 520 HG3 GLU 80 HG1 GLU 80 39.265 -10.906 7.621 521 H GLY 81 HN GLY 81 35.959 -10.243 3.675 522 HA2 GLY 81 HA2 GLY 81 34.186 -7.919 4.250 523 HA3 GLY 81 HA1 GLY 81 34.875 -8.297 2.678 524 H ARG 82 HN ARG 82 32.211 -7.870 2.847 525 HA ARG 82 HA ARG 82 30.889 -10.531 2.822 526 HB2 ARG 82 HB2 ARG 82 29.561 -7.798 3.164 527 HB3 ARG 82 HB1 ARG 82 28.803 -9.381 3.340 528 HG2 ARG 82 HG2 ARG 82 30.136 -9.827 5.352 529 HG3 ARG 82 HG1 ARG 82 30.983 -8.289 5.150 530 HD2 ARG 82 HD2 ARG 82 28.811 -7.092 5.430 531 HD3 ARG 82 HD1 ARG 82 28.016 -8.647 5.710 532 HE ARG 82 HE ARG 82 30.224 -8.190 7.489 533 HH11 ARG 82 HH11 ARG 82 26.801 -7.495 7.063 534 HH12 ARG 82 HH12 ARG 82 26.547 -7.176 8.748 535 HH21 ARG 82 HH21 ARG 82 29.863 -7.768 9.679 536 HH22 ARG 82 HH22 ARG 82 28.272 -7.336 10.219 537 H GLY 83 HN GLY 83 29.944 -11.204 0.941 538 HA2 GLY 83 HA2 GLY 83 28.475 -10.038 -0.934 539 HA3 GLY 83 HA1 GLY 83 30.071 -9.511 -1.462 Start of MODEL 2 1 H1 SER 11 HT1 SER 11 20.609 38.396 2.470 2 H2 SER 11 HT2 SER 11 22.021 38.938 3.227 3 H3 SER 11 HT3 SER 11 20.776 38.255 4.145 4 HA SER 11 HA SER 11 22.320 36.834 2.073 5 HB2 SER 11 HB2 SER 11 22.583 36.722 5.111 6 HB3 SER 11 HB1 SER 11 23.457 35.688 3.974 7 HG SER 11 HG SER 11 24.438 37.783 4.852 8 H ALA 12 HN ALA 12 20.459 35.933 1.196 9 HA ALA 12 HA ALA 12 18.451 34.578 2.781 10 HB1 ALA 12 HB1 ALA 12 17.857 35.692 0.654 11 HB2 ALA 12 HB2 ALA 12 17.459 33.975 0.600 12 HB3 ALA 12 HB3 ALA 12 18.896 34.576 -0.234 13 H GLU 13 HN GLU 13 21.123 33.681 0.645 14 HA GLU 13 HA GLU 13 22.224 31.812 0.087 15 HB2 GLU 13 HB2 GLU 13 21.473 30.699 2.821 16 HB3 GLU 13 HB1 GLU 13 22.867 30.260 1.838 17 HG2 GLU 13 HG2 GLU 13 22.392 32.836 3.366 18 HG3 GLU 13 HG1 GLU 13 23.637 31.622 3.653 19 H CYS 14 HN CYS 14 21.054 30.986 -1.600 20 HA CYS 14 HA CYS 14 18.494 29.745 -1.314 21 HB2 CYS 14 HB2 CYS 14 20.330 29.890 -3.730 22 HB3 CYS 14 HB1 CYS 14 18.648 29.356 -3.762 23 HG CYS 14 HG CYS 14 18.917 32.330 -2.330 24 H TRP 15 HN TRP 15 19.194 28.172 0.280 25 HA TRP 15 HA TRP 15 20.118 25.623 -0.892 26 HB2 TRP 15 HB2 TRP 15 20.081 26.641 1.990 27 HB3 TRP 15 HB1 TRP 15 20.323 24.942 1.590 28 HD1 TRP 15 HD1 TRP 15 22.053 28.372 0.883 29 HE1 TRP 15 HE1 TRP 15 24.569 27.939 0.624 30 HE3 TRP 15 HE3 TRP 15 22.051 23.273 1.274 31 HZ2 TRP 15 HZ2 TRP 15 26.335 25.743 0.595 32 HZ3 TRP 15 HZ3 TRP 15 24.196 22.080 1.119 33 HH2 TRP 15 HH2 TRP 15 26.298 23.285 0.788 34 H ALA 16 HN ALA 16 17.860 26.150 -1.852 35 HA ALA 16 HA ALA 16 15.459 25.778 -0.459 36 HB1 ALA 16 HB1 ALA 16 15.567 26.611 -2.784 37 HB2 ALA 16 HB2 ALA 16 14.473 25.235 -2.656 38 HB3 ALA 16 HB3 ALA 16 16.088 25.020 -3.342 39 H ALA 17 HN ALA 17 17.515 23.450 -2.179 40 HA ALA 17 HA ALA 17 17.925 21.257 -2.011 41 HB1 ALA 17 HB1 ALA 17 16.897 21.533 0.829 42 HB2 ALA 17 HB2 ALA 17 18.549 21.854 0.293 43 HB3 ALA 17 HB3 ALA 17 17.893 20.219 0.200 44 H LEU 18 HN LEU 18 16.491 20.588 -3.550 45 HA LEU 18 HA LEU 18 14.037 19.258 -2.595 46 HB2 LEU 18 HB2 LEU 18 12.881 19.786 -4.677 47 HB3 LEU 18 HB1 LEU 18 13.341 21.250 -3.839 48 HG LEU 18 HG LEU 18 14.892 20.178 -6.238 49 HD11 LEU 18 HD11 LEU 18 12.643 22.216 -6.238 50 HD12 LEU 18 HD12 LEU 18 12.620 20.611 -6.974 51 HD13 LEU 18 HD13 LEU 18 13.699 21.849 -7.607 52 HD21 LEU 18 HD21 LEU 18 15.736 22.507 -6.423 53 HD22 LEU 18 HD22 LEU 18 16.189 21.757 -4.895 54 HD23 LEU 18 HD23 LEU 18 14.872 22.931 -4.939 55 H LEU 19 HN LEU 19 13.413 17.370 -3.813 56 HA LEU 19 HA LEU 19 15.765 15.749 -4.423 57 HB2 LEU 19 HB2 LEU 19 14.049 15.020 -2.769 58 HB3 LEU 19 HB1 LEU 19 12.835 15.001 -4.031 59 HG LEU 19 HG LEU 19 13.945 13.098 -5.126 60 HD11 LEU 19 HD11 LEU 19 16.010 13.240 -2.912 61 HD12 LEU 19 HD12 LEU 19 16.273 13.580 -4.624 62 HD13 LEU 19 HD13 LEU 19 15.865 11.946 -4.107 63 HD21 LEU 19 HD21 LEU 19 13.558 12.571 -2.158 64 HD22 LEU 19 HD22 LEU 19 13.518 11.363 -3.448 65 HD23 LEU 19 HD23 LEU 19 12.279 12.613 -3.376 66 H HIS 20 HN HIS 20 15.202 17.681 -6.397 67 HA HIS 20 HA HIS 20 15.571 16.129 -8.679 68 HB2 HIS 20 HB2 HIS 20 13.049 15.870 -8.498 69 HB3 HIS 20 HB1 HIS 20 12.899 17.603 -8.758 70 HD1 HIS 20 HD1 HIS 20 13.969 14.441 -10.548 71 HD2 HIS 20 HD2 HIS 20 13.021 18.395 -11.404 72 HE1 HIS 20 HE1 HIS 20 13.751 14.557 -13.053 73 HE2 HIS 20 HE2 HIS 20 13.338 16.986 -13.550 74 H ASP 21 HN ASP 21 13.822 19.138 -9.213 75 HA ASP 21 HA ASP 21 15.743 21.108 -8.938 76 HB2 ASP 21 HB2 ASP 21 17.081 21.190 -10.845 77 HB3 ASP 21 HB1 ASP 21 16.819 19.456 -10.827 78 HA PRO 22 HA PRO 22 12.213 23.678 -10.149 79 HB2 PRO 22 HB2 PRO 22 13.356 25.548 -11.925 80 HB3 PRO 22 HB1 PRO 22 13.333 25.683 -10.163 81 HG2 PRO 22 HG2 PRO 22 15.500 24.610 -11.963 82 HG3 PRO 22 HG1 PRO 22 15.651 25.692 -10.558 83 HD2 PRO 22 HD2 PRO 22 16.237 23.115 -10.292 84 HD3 PRO 22 HD1 PRO 22 15.293 23.917 -9.014 85 H MET 23 HN MET 23 14.193 23.210 -13.177 86 HA MET 23 HA MET 23 11.645 22.966 -14.705 87 HB2 MET 23 HB2 MET 23 14.198 24.451 -15.422 88 HB3 MET 23 HB1 MET 23 12.955 24.078 -16.607 89 HG2 MET 23 HG2 MET 23 11.336 25.432 -15.346 90 HG3 MET 23 HG1 MET 23 12.576 25.788 -14.139 91 HE1 MET 23 HE1 MET 23 12.895 27.200 -18.548 92 HE2 MET 23 HE2 MET 23 11.611 26.140 -17.963 93 HE3 MET 23 HE3 MET 23 13.272 25.550 -18.056 94 H THR 24 HN THR 24 15.157 22.349 -15.093 95 HA THR 24 HA THR 24 14.752 19.712 -16.211 96 HB THR 24 HB THR 24 14.280 20.995 -18.233 97 HG1 THR 24 HG1 THR 24 15.794 19.117 -18.279 98 HG21 THR 24 HG21 THR 24 15.873 22.571 -19.245 99 HG22 THR 24 HG22 THR 24 16.951 22.396 -17.857 100 HG23 THR 24 HG23 THR 24 15.362 23.139 -17.652 101 H LEU 25 HN LEU 25 16.896 22.419 -15.519 102 HA LEU 25 HA LEU 25 18.617 20.911 -13.864 103 HB2 LEU 25 HB2 LEU 25 19.413 20.283 -16.238 104 HB3 LEU 25 HB1 LEU 25 19.959 21.935 -16.408 105 HG LEU 25 HG LEU 25 21.013 20.178 -14.152 106 HD11 LEU 25 HD11 LEU 25 22.173 20.292 -16.957 107 HD12 LEU 25 HD12 LEU 25 21.369 18.903 -16.218 108 HD13 LEU 25 HD13 LEU 25 22.890 19.493 -15.556 109 HD21 LEU 25 HD21 LEU 25 22.266 22.553 -15.597 110 HD22 LEU 25 HD22 LEU 25 22.991 21.635 -14.273 111 HD23 LEU 25 HD23 LEU 25 21.536 22.583 -13.987 112 H ASP 26 HN ASP 26 19.560 22.320 -12.448 113 HA ASP 26 HA ASP 26 19.678 25.215 -13.100 114 HB2 ASP 26 HB2 ASP 26 17.773 24.656 -11.512 115 HB3 ASP 26 HB1 ASP 26 18.947 24.030 -10.371 116 H MET 27 HN MET 27 21.796 25.705 -13.196 117 HA MET 27 HA MET 27 23.884 24.005 -12.484 118 HB2 MET 27 HB2 MET 27 23.874 26.975 -13.078 119 HB3 MET 27 HB1 MET 27 25.364 26.075 -12.802 120 HG2 MET 27 HG2 MET 27 25.067 26.249 -15.144 121 HG3 MET 27 HG1 MET 27 24.731 24.577 -14.712 122 HE1 MET 27 HE1 MET 27 22.389 25.332 -17.780 123 HE2 MET 27 HE2 MET 27 23.708 24.333 -17.167 124 HE3 MET 27 HE3 MET 27 23.979 26.047 -17.490 125 H ASP 28 HN ASP 28 22.472 26.681 -10.622 126 HA ASP 28 HA ASP 28 24.549 26.810 -8.640 127 HB2 ASP 28 HB2 ASP 28 23.028 28.725 -9.191 128 HB3 ASP 28 HB1 ASP 28 21.679 27.831 -8.496 129 H ALA 29 HN ALA 29 21.414 25.166 -8.885 130 HA ALA 29 HA ALA 29 21.341 24.142 -6.204 131 HB1 ALA 29 HB1 ALA 29 19.862 23.169 -8.678 132 HB2 ALA 29 HB2 ALA 29 19.300 24.403 -7.550 133 HB3 ALA 29 HB3 ALA 29 19.484 22.736 -7.005 134 H VAL 30 HN VAL 30 22.385 22.855 -9.321 135 HA VAL 30 HA VAL 30 23.043 20.213 -8.495 136 HB VAL 30 HB VAL 30 23.914 21.834 -10.936 137 HG11 VAL 30 HG11 VAL 30 25.570 20.051 -10.563 138 HG12 VAL 30 HG12 VAL 30 24.587 19.686 -11.981 139 HG13 VAL 30 HG13 VAL 30 24.280 18.850 -10.457 140 HG21 VAL 30 HG21 VAL 30 21.487 21.390 -10.846 141 HG22 VAL 30 HG22 VAL 30 21.798 19.661 -10.660 142 HG23 VAL 30 HG23 VAL 30 22.245 20.482 -12.157 143 H LEU 31 HN LEU 31 24.852 23.260 -8.633 144 HA LEU 31 HA LEU 31 27.444 22.215 -8.021 145 HB2 LEU 31 HB2 LEU 31 27.043 24.498 -9.002 146 HB3 LEU 31 HB1 LEU 31 26.353 25.008 -7.470 147 HG LEU 31 HG LEU 31 28.616 24.528 -6.385 148 HD11 LEU 31 HD11 LEU 31 29.587 24.295 -9.247 149 HD12 LEU 31 HD12 LEU 31 29.517 22.988 -8.060 150 HD13 LEU 31 HD13 LEU 31 30.600 24.354 -7.799 151 HD21 LEU 31 HD21 LEU 31 29.683 26.600 -7.156 152 HD22 LEU 31 HD22 LEU 31 27.950 26.823 -6.927 153 HD23 LEU 31 HD23 LEU 31 28.607 26.649 -8.556 154 H SER 32 HN SER 32 24.843 23.665 -6.063 155 HA SER 32 HA SER 32 26.086 23.612 -3.544 156 HB2 SER 32 HB2 SER 32 24.027 24.925 -4.097 157 HB3 SER 32 HB1 SER 32 23.102 23.424 -4.152 158 HG SER 32 HG SER 32 24.144 24.819 -1.969 159 H ASP 33 HN ASP 33 23.943 21.281 -5.133 160 HA ASP 33 HA ASP 33 23.722 19.411 -3.029 161 HB2 ASP 33 HB2 ASP 33 22.156 19.511 -5.006 162 HB3 ASP 33 HB1 ASP 33 23.445 18.892 -6.031 163 H PHE 34 HN PHE 34 25.776 19.470 -5.970 164 HA PHE 34 HA PHE 34 27.086 17.032 -5.672 165 HB2 PHE 34 HB2 PHE 34 27.226 18.302 -7.757 166 HB3 PHE 34 HB1 PHE 34 28.118 19.596 -6.964 167 HD1 PHE 34 HD1 PHE 34 28.341 16.048 -8.086 168 HD2 PHE 34 HD2 PHE 34 30.514 19.442 -6.687 169 HE1 PHE 34 HE1 PHE 34 30.458 14.945 -8.608 170 HE2 PHE 34 HE2 PHE 34 32.623 18.311 -7.237 171 HZ PHE 34 HZ PHE 34 32.591 16.060 -8.194 172 H VAL 35 HN VAL 35 28.360 20.253 -4.713 173 HA VAL 35 HA VAL 35 30.781 19.499 -3.562 174 HB VAL 35 HB VAL 35 28.947 21.824 -2.802 175 HG11 VAL 35 HG11 VAL 35 31.878 21.471 -2.047 176 HG12 VAL 35 HG12 VAL 35 30.514 21.435 -0.930 177 HG13 VAL 35 HG13 VAL 35 30.918 22.929 -1.776 178 HG21 VAL 35 HG21 VAL 35 29.722 21.863 -5.145 179 HG22 VAL 35 HG22 VAL 35 31.398 21.747 -4.600 180 HG23 VAL 35 HG23 VAL 35 30.443 23.183 -4.219 181 H ARG 36 HN ARG 36 27.585 19.750 -2.031 182 HA ARG 36 HA ARG 36 28.443 19.022 0.606 183 HB2 ARG 36 HB2 ARG 36 26.392 20.387 0.009 184 HB3 ARG 36 HB1 ARG 36 25.631 18.904 -0.562 185 HG2 ARG 36 HG2 ARG 36 25.831 17.949 1.733 186 HG3 ARG 36 HG1 ARG 36 26.542 19.471 2.283 187 HD2 ARG 36 HD2 ARG 36 24.447 20.640 1.598 188 HD3 ARG 36 HD1 ARG 36 23.747 19.076 1.168 189 HE ARG 36 HE ARG 36 24.601 18.909 3.821 190 HH11 ARG 36 HH11 ARG 36 22.187 20.684 1.976 191 HH12 ARG 36 HH12 ARG 36 21.121 20.877 3.325 192 HH21 ARG 36 HH21 ARG 36 23.205 19.210 5.586 193 HH22 ARG 36 HH22 ARG 36 21.706 20.048 5.375 194 H SER 37 HN SER 37 27.341 17.178 -2.202 195 HA SER 37 HA SER 37 26.758 14.743 -0.683 196 HB2 SER 37 HB2 SER 37 26.575 15.316 -3.675 197 HB3 SER 37 HB1 SER 37 26.043 13.823 -2.893 198 HG SER 37 HG SER 37 24.670 16.019 -3.253 199 H THR 38 HN THR 38 29.539 16.081 -2.151 200 HA THR 38 HA THR 38 30.797 13.406 -2.505 201 HB THR 38 HB THR 38 32.372 14.560 -4.092 202 HG1 THR 38 HG1 THR 38 30.717 16.663 -4.603 203 HG21 THR 38 HG21 THR 38 29.455 14.727 -4.901 204 HG22 THR 38 HG22 THR 38 30.461 13.277 -4.976 205 HG23 THR 38 HG23 THR 38 30.839 14.662 -5.994 206 H GLY 39 HN GLY 39 31.138 16.632 -1.142 207 HA2 GLY 39 HA2 GLY 39 32.634 17.424 0.446 208 HA3 GLY 39 HA1 GLY 39 33.497 15.892 0.400 209 H ALA 40 HN ALA 40 32.824 17.416 -2.619 210 HA ALA 40 HA ALA 40 35.589 18.087 -3.167 211 HB1 ALA 40 HB1 ALA 40 34.144 17.171 -4.945 212 HB2 ALA 40 HB2 ALA 40 34.739 18.772 -5.392 213 HB3 ALA 40 HB3 ALA 40 33.078 18.574 -4.821 214 H GLU 41 HN GLU 41 36.104 20.327 -4.077 215 HA GLU 41 HA GLU 41 34.887 22.461 -2.427 216 HB2 GLU 41 HB2 GLU 41 36.893 23.687 -2.723 217 HB3 GLU 41 HB1 GLU 41 37.455 22.021 -2.616 218 HG2 GLU 41 HG2 GLU 41 37.491 21.984 -5.151 219 HG3 GLU 41 HG1 GLU 41 37.175 23.729 -5.095 220 HA PRO 42 HA PRO 42 32.340 24.090 -5.651 221 HB2 PRO 42 HB2 PRO 42 32.749 26.826 -5.674 222 HB3 PRO 42 HB1 PRO 42 31.870 25.985 -4.386 223 HG2 PRO 42 HG2 PRO 42 34.799 26.754 -4.477 224 HG3 PRO 42 HG1 PRO 42 33.624 27.079 -3.194 225 HD2 PRO 42 HD2 PRO 42 35.282 25.045 -2.917 226 HD3 PRO 42 HD1 PRO 42 33.566 24.807 -2.497 227 H GLY 43 HN GLY 43 35.714 25.161 -5.959 228 HA2 GLY 43 HA2 GLY 43 35.634 25.941 -8.702 229 HA3 GLY 43 HA1 GLY 43 37.072 25.535 -7.775 230 H LEU 44 HN LEU 44 36.881 23.030 -7.114 231 HA LEU 44 HA LEU 44 37.414 21.476 -9.413 232 HB2 LEU 44 HB2 LEU 44 38.308 21.016 -7.110 233 HB3 LEU 44 HB1 LEU 44 36.699 20.517 -6.612 234 HG LEU 44 HG LEU 44 36.820 18.673 -8.368 235 HD11 LEU 44 HD11 LEU 44 38.529 19.624 -9.815 236 HD12 LEU 44 HD12 LEU 44 39.027 18.036 -9.236 237 HD13 LEU 44 HD13 LEU 44 39.730 19.493 -8.525 238 HD21 LEU 44 HD21 LEU 44 38.908 18.571 -6.170 239 HD22 LEU 44 HD22 LEU 44 38.234 17.181 -7.027 240 HD23 LEU 44 HD23 LEU 44 37.195 18.172 -6.005 241 H ALA 45 HN ALA 45 34.537 22.042 -7.551 242 HA ALA 45 HA ALA 45 32.932 19.866 -8.397 243 HB1 ALA 45 HB1 ALA 45 31.059 21.191 -7.470 244 HB2 ALA 45 HB2 ALA 45 32.123 22.598 -7.336 245 HB3 ALA 45 HB3 ALA 45 32.438 21.154 -6.371 246 H ARG 46 HN ARG 46 32.978 23.293 -9.322 247 HA ARG 46 HA ARG 46 31.212 23.270 -11.472 248 HB2 ARG 46 HB2 ARG 46 31.807 25.391 -10.639 249 HB3 ARG 46 HB1 ARG 46 33.524 25.039 -10.641 250 HG2 ARG 46 HG2 ARG 46 32.098 25.249 -13.286 251 HG3 ARG 46 HG1 ARG 46 32.437 26.730 -12.390 252 HD2 ARG 46 HD2 ARG 46 34.789 26.399 -12.521 253 HD3 ARG 46 HD1 ARG 46 34.613 24.701 -12.987 254 HE ARG 46 HE ARG 46 33.440 26.503 -14.886 255 HH11 ARG 46 HH11 ARG 46 36.519 25.119 -13.918 256 HH12 ARG 46 HH12 ARG 46 37.176 25.159 -15.521 257 HH21 ARG 46 HH21 ARG 46 34.277 26.507 -16.975 258 HH22 ARG 46 HH22 ARG 46 35.901 25.963 -17.258 259 H ASP 47 HN ASP 47 34.689 22.593 -11.403 260 HA ASP 47 HA ASP 47 35.234 22.274 -14.139 261 HB2 ASP 47 HB2 ASP 47 37.097 22.381 -12.631 262 HB3 ASP 47 HB1 ASP 47 36.473 21.074 -11.633 263 H LEU 48 HN LEU 48 34.472 19.743 -11.736 264 HA LEU 48 HA LEU 48 34.451 17.552 -13.525 265 HB2 LEU 48 HB2 LEU 48 33.203 17.881 -10.770 266 HB3 LEU 48 HB1 LEU 48 33.252 16.345 -11.629 267 HG LEU 48 HG LEU 48 35.702 17.926 -10.739 268 HD11 LEU 48 HD11 LEU 48 34.505 17.014 -8.821 269 HD12 LEU 48 HD12 LEU 48 36.030 16.170 -9.066 270 HD13 LEU 48 HD13 LEU 48 34.512 15.404 -9.549 271 HD21 LEU 48 HD21 LEU 48 36.990 15.919 -11.364 272 HD22 LEU 48 HD22 LEU 48 36.169 16.620 -12.755 273 HD23 LEU 48 HD23 LEU 48 35.519 15.164 -11.994 274 H LEU 49 HN LEU 49 31.843 19.570 -12.231 275 HA LEU 49 HA LEU 49 29.634 18.202 -13.279 276 HB2 LEU 49 HB2 LEU 49 30.047 21.080 -12.434 277 HB3 LEU 49 HB1 LEU 49 28.502 20.542 -13.075 278 HG LEU 49 HG LEU 49 29.827 19.288 -10.628 279 HD11 LEU 49 HD11 LEU 49 28.233 20.505 -9.242 280 HD12 LEU 49 HD12 LEU 49 27.609 21.350 -10.662 281 HD13 LEU 49 HD13 LEU 49 29.272 21.617 -10.132 282 HD21 LEU 49 HD21 LEU 49 28.294 17.776 -11.770 283 HD22 LEU 49 HD22 LEU 49 27.023 18.998 -11.764 284 HD23 LEU 49 HD23 LEU 49 27.589 18.299 -10.240 285 H GLU 50 HN GLU 50 31.314 21.102 -14.640 286 HA GLU 50 HA GLU 50 29.894 21.189 -17.077 287 HB2 GLU 50 HB2 GLU 50 32.680 22.203 -16.364 288 HB3 GLU 50 HB1 GLU 50 31.939 22.506 -17.934 289 HG2 GLU 50 HG2 GLU 50 30.043 23.638 -16.778 290 HG3 GLU 50 HG1 GLU 50 30.875 23.413 -15.239 291 H GLY 51 HN GLY 51 32.729 19.312 -16.140 292 HA2 GLY 51 HA2 GLY 51 33.431 18.264 -18.692 293 HA3 GLY 51 HA1 GLY 51 33.842 17.568 -17.130 294 H LYS 52 HN LYS 52 30.865 17.487 -16.478 295 HA LYS 52 HA LYS 52 30.145 15.027 -17.964 296 HB2 LYS 52 HB2 LYS 52 29.123 15.962 -15.240 297 HB3 LYS 52 HB1 LYS 52 28.820 14.399 -15.999 298 HG2 LYS 52 HG2 LYS 52 31.500 15.421 -15.025 299 HG3 LYS 52 HG1 LYS 52 30.487 14.238 -14.208 300 HD2 LYS 52 HD2 LYS 52 30.875 12.600 -15.932 301 HD3 LYS 52 HD1 LYS 52 31.660 13.791 -16.978 302 HE2 LYS 52 HE2 LYS 52 33.533 13.979 -15.424 303 HE3 LYS 52 HE1 LYS 52 32.725 12.920 -14.268 304 HZ1 LYS 52 HZ1 LYS 52 32.902 11.117 -15.823 305 HZ2 LYS 52 HZ2 LYS 52 34.427 11.781 -15.520 306 HZ3 LYS 52 HZ3 LYS 52 33.625 12.124 -16.975 307 H ASN 53 HN ASN 53 29.568 18.115 -18.394 308 HA ASN 53 HA ASN 53 28.001 19.370 -19.454 309 HB2 ASN 53 HB2 ASN 53 26.340 16.811 -19.725 310 HB3 ASN 53 HB1 ASN 53 26.102 18.304 -20.627 311 HD21 ASN 53 HD21 ASN 53 28.047 15.432 -20.301 312 HD22 ASN 53 HD22 ASN 53 28.939 15.614 -21.771 313 H TRP 54 HN TRP 54 28.037 19.426 -16.744 314 HA TRP 54 HA TRP 54 27.079 19.695 -14.735 315 HB2 TRP 54 HB2 TRP 54 24.961 20.955 -16.495 316 HB3 TRP 54 HB1 TRP 54 24.884 21.025 -14.743 317 HD1 TRP 54 HD1 TRP 54 26.829 22.487 -17.694 318 HE1 TRP 54 HE1 TRP 54 28.214 24.476 -16.846 319 HE3 TRP 54 HE3 TRP 54 26.059 21.936 -12.676 320 HZ2 TRP 54 HZ2 TRP 54 28.908 25.648 -14.395 321 HZ3 TRP 54 HZ3 TRP 54 27.122 23.529 -11.130 322 HH2 TRP 54 HH2 TRP 54 28.528 25.357 -11.971 323 H ASP 55 HN ASP 55 26.280 17.133 -16.294 324 HA ASP 55 HA ASP 55 23.800 16.329 -15.103 325 HB2 ASP 55 HB2 ASP 55 24.712 15.233 -17.176 326 HB3 ASP 55 HB1 ASP 55 26.018 14.544 -16.219 327 H LEU 56 HN LEU 56 23.658 16.355 -13.006 328 HA LEU 56 HA LEU 56 25.590 16.444 -11.056 329 HB2 LEU 56 HB2 LEU 56 23.240 17.061 -10.689 330 HB3 LEU 56 HB1 LEU 56 22.749 15.384 -10.874 331 HG LEU 56 HG LEU 56 24.019 14.818 -8.770 332 HD11 LEU 56 HD11 LEU 56 24.726 16.630 -7.256 333 HD12 LEU 56 HD12 LEU 56 24.366 17.826 -8.504 334 HD13 LEU 56 HD13 LEU 56 25.651 16.642 -8.758 335 HD21 LEU 56 HD21 LEU 56 22.361 15.780 -7.218 336 HD22 LEU 56 HD22 LEU 56 21.604 15.183 -8.694 337 HD23 LEU 56 HD23 LEU 56 21.845 16.920 -8.468 338 H THR 57 HN THR 57 23.776 13.599 -12.151 339 HA THR 57 HA THR 57 24.627 11.737 -10.253 340 HB THR 57 HB THR 57 23.824 11.079 -13.123 341 HG1 THR 57 HG1 THR 57 21.823 11.661 -12.650 342 HG21 THR 57 HG21 THR 57 22.777 9.094 -12.079 343 HG22 THR 57 HG22 THR 57 23.390 9.598 -10.504 344 HG23 THR 57 HG23 THR 57 24.517 9.125 -11.781 345 H ALA 58 HN ALA 58 25.915 12.407 -13.507 346 HA ALA 58 HA ALA 58 27.845 10.313 -13.604 347 HB1 ALA 58 HB1 ALA 58 27.767 12.917 -15.170 348 HB2 ALA 58 HB2 ALA 58 26.964 11.413 -15.628 349 HB3 ALA 58 HB3 ALA 58 28.726 11.485 -15.579 350 H ALA 59 HN ALA 59 27.986 13.679 -12.570 351 HA ALA 59 HA ALA 59 30.820 13.843 -12.242 352 HB1 ALA 59 HB1 ALA 59 29.419 15.835 -12.573 353 HB2 ALA 59 HB2 ALA 59 30.348 15.957 -11.077 354 HB3 ALA 59 HB3 ALA 59 28.628 15.546 -11.022 355 H LEU 60 HN LEU 60 28.105 13.226 -10.000 356 HA LEU 60 HA LEU 60 29.459 12.926 -7.559 357 HB2 LEU 60 HB2 LEU 60 27.042 11.364 -8.588 358 HB3 LEU 60 HB1 LEU 60 27.583 11.356 -6.916 359 HG LEU 60 HG LEU 60 26.532 13.811 -8.380 360 HD11 LEU 60 HD11 LEU 60 25.119 12.055 -6.348 361 HD12 LEU 60 HD12 LEU 60 24.754 12.160 -8.073 362 HD13 LEU 60 HD13 LEU 60 24.499 13.560 -7.036 363 HD21 LEU 60 HD21 LEU 60 27.202 13.425 -5.445 364 HD22 LEU 60 HD22 LEU 60 26.447 14.858 -6.152 365 HD23 LEU 60 HD23 LEU 60 28.092 14.420 -6.601 366 H SER 61 HN SER 61 28.725 10.568 -10.096 367 HA SER 61 HA SER 61 29.816 8.258 -8.891 368 HB2 SER 61 HB2 SER 61 29.309 8.895 -11.825 369 HB3 SER 61 HB1 SER 61 29.644 7.282 -11.188 370 HG SER 61 HG SER 61 27.523 8.843 -10.167 371 H ASP 62 HN ASP 62 31.242 10.775 -10.912 372 HA ASP 62 HA ASP 62 33.699 9.430 -11.521 373 HB2 ASP 62 HB2 ASP 62 32.748 11.296 -12.898 374 HB3 ASP 62 HB1 ASP 62 33.063 12.412 -11.572 375 H TYR 63 HN TYR 63 32.672 11.740 -8.996 376 HA TYR 63 HA TYR 63 35.332 12.153 -7.983 377 HB2 TYR 63 HB2 TYR 63 33.485 13.859 -7.802 378 HB3 TYR 63 HB1 TYR 63 32.721 12.848 -6.578 379 HD1 TYR 63 HD1 TYR 63 35.670 14.984 -7.319 380 HD2 TYR 63 HD2 TYR 63 33.657 12.753 -4.291 381 HE1 TYR 63 HE1 TYR 63 37.092 16.018 -5.613 382 HE2 TYR 63 HE2 TYR 63 35.077 13.807 -2.575 383 HH TYR 63 HH TYR 63 37.040 16.515 -3.221 384 H GLU 64 HN GLU 64 32.530 10.197 -6.962 385 HA GLU 64 HA GLU 64 33.755 9.141 -4.613 386 HB2 GLU 64 HB2 GLU 64 31.924 7.498 -4.568 387 HB3 GLU 64 HB1 GLU 64 31.304 9.109 -4.923 388 HG2 GLU 64 HG2 GLU 64 31.306 8.464 -7.367 389 HG3 GLU 64 HG1 GLU 64 31.675 6.813 -6.864 390 H GLN 65 HN GLN 65 33.975 8.306 -8.035 391 HA GLN 65 HA GLN 65 35.237 5.774 -7.787 392 HB2 GLN 65 HB2 GLN 65 34.217 6.861 -9.887 393 HB3 GLN 65 HB1 GLN 65 35.696 7.795 -10.024 394 HG2 GLN 65 HG2 GLN 65 35.572 4.761 -10.080 395 HG3 GLN 65 HG1 GLN 65 35.549 5.777 -11.515 396 HE21 GLN 65 HE21 GLN 65 37.441 6.985 -12.022 397 HE22 GLN 65 HE22 GLN 65 38.998 6.454 -11.500 398 H LEU 66 HN LEU 66 36.565 9.129 -8.073 399 HA LEU 66 HA LEU 66 39.299 8.247 -7.834 400 HB2 LEU 66 HB2 LEU 66 39.956 10.580 -7.927 401 HB3 LEU 66 HB1 LEU 66 38.740 10.252 -9.138 402 HG LEU 66 HG LEU 66 37.081 11.300 -7.338 403 HD11 LEU 66 HD11 LEU 66 39.668 12.627 -6.494 404 HD12 LEU 66 HD12 LEU 66 38.662 11.566 -5.503 405 HD13 LEU 66 HD13 LEU 66 38.040 13.130 -6.023 406 HD21 LEU 66 HD21 LEU 66 38.911 13.047 -9.012 407 HD22 LEU 66 HD22 LEU 66 37.338 13.518 -8.358 408 HD23 LEU 66 HD23 LEU 66 37.440 12.239 -9.566 409 H ARG 67 HN ARG 67 36.851 8.790 -5.528 410 HA ARG 67 HA ARG 67 38.603 9.236 -3.265 411 HB2 ARG 67 HB2 ARG 67 35.674 8.481 -3.497 412 HB3 ARG 67 HB1 ARG 67 36.484 8.539 -1.938 413 HG2 ARG 67 HG2 ARG 67 36.372 10.918 -3.818 414 HG3 ARG 67 HG1 ARG 67 35.140 10.599 -2.598 415 HD2 ARG 67 HD2 ARG 67 36.744 12.247 -1.754 416 HD3 ARG 67 HD1 ARG 67 36.866 10.759 -0.821 417 HE ARG 67 HE ARG 67 38.944 10.297 -1.824 418 HH11 ARG 67 HH11 ARG 67 37.759 13.469 -2.734 419 HH12 ARG 67 HH12 ARG 67 39.283 13.986 -3.367 420 HH21 ARG 67 HH21 ARG 67 40.914 10.978 -2.691 421 HH22 ARG 67 HH22 ARG 67 41.072 12.580 -3.323 422 H GLN 68 HN GLN 68 37.009 6.431 -4.745 423 HA GLN 68 HA GLN 68 38.111 4.505 -2.869 424 HB2 GLN 68 HB2 GLN 68 36.754 4.073 -5.572 425 HB3 GLN 68 HB1 GLN 68 37.122 2.804 -4.406 426 HG2 GLN 68 HG2 GLN 68 35.178 5.097 -4.000 427 HG3 GLN 68 HG1 GLN 68 34.757 3.421 -4.341 428 HE21 GLN 68 HE21 GLN 68 35.889 5.659 -1.924 429 HE22 GLN 68 HE22 GLN 68 35.724 4.608 -0.564 430 H VAL 69 HN VAL 69 39.059 5.992 -5.817 431 HA VAL 69 HA VAL 69 40.467 5.595 -7.533 432 HB VAL 69 HB VAL 69 42.488 4.684 -5.441 433 HG11 VAL 69 HG11 VAL 69 42.824 6.282 -8.021 434 HG12 VAL 69 HG12 VAL 69 43.255 4.584 -7.793 435 HG13 VAL 69 HG13 VAL 69 44.122 5.840 -6.906 436 HG21 VAL 69 HG21 VAL 69 43.014 7.063 -5.009 437 HG22 VAL 69 HG22 VAL 69 41.364 6.670 -4.525 438 HG23 VAL 69 HG23 VAL 69 41.655 7.555 -6.026 439 H HIS 70 HN HIS 70 39.087 3.839 -8.248 440 HA HIS 70 HA HIS 70 39.405 1.110 -7.616 441 HB2 HIS 70 HB2 HIS 70 37.401 2.095 -8.738 442 HB3 HIS 70 HB1 HIS 70 38.352 2.350 -10.195 443 HD1 HIS 70 HD1 HIS 70 36.901 -0.432 -8.090 444 HD2 HIS 70 HD2 HIS 70 38.502 0.143 -11.887 445 HE1 HIS 70 HE1 HIS 70 36.449 -2.561 -9.340 446 HE2 HIS 70 HE2 HIS 70 37.615 -2.269 -11.545 447 H THR 71 HN THR 71 41.074 3.160 -9.895 448 HA THR 71 HA THR 71 42.337 1.105 -11.445 449 HB THR 71 HB THR 71 41.873 3.292 -12.427 450 HG1 THR 71 HG1 THR 71 44.261 2.086 -12.535 451 HG21 THR 71 HG21 THR 71 43.881 4.444 -10.457 452 HG22 THR 71 HG22 THR 71 42.138 4.722 -10.434 453 HG23 THR 71 HG23 THR 71 43.106 5.324 -11.781 454 H ALA 72 HN ALA 72 42.947 2.142 -8.291 455 HA ALA 72 HA ALA 72 45.849 1.812 -8.321 456 HB1 ALA 72 HB1 ALA 72 44.845 3.473 -6.813 457 HB2 ALA 72 HB2 ALA 72 45.706 2.238 -5.898 458 HB3 ALA 72 HB3 ALA 72 43.941 2.205 -5.982 459 H ASN 73 HN ASN 73 46.960 0.170 -7.242 460 HA ASN 73 HA ASN 73 45.474 -2.320 -6.636 461 HB2 ASN 73 HB2 ASN 73 46.981 -2.585 -8.576 462 HB3 ASN 73 HB1 ASN 73 48.339 -1.963 -7.648 463 HD21 ASN 73 HD21 ASN 73 49.296 -3.297 -6.066 464 HD22 ASN 73 HD22 ASN 73 48.998 -4.999 -5.988 465 H LEU 74 HN LEU 74 45.101 -1.752 -4.471 466 HA LEU 74 HA LEU 74 47.347 -1.399 -2.642 467 HB2 LEU 74 HB2 LEU 74 44.340 -1.521 -2.303 468 HB3 LEU 74 HB1 LEU 74 45.373 -1.736 -0.906 469 HG LEU 74 HG LEU 74 46.320 0.537 -1.251 470 HD11 LEU 74 HD11 LEU 74 45.268 2.130 -2.806 471 HD12 LEU 74 HD12 LEU 74 44.307 0.821 -3.499 472 HD13 LEU 74 HD13 LEU 74 46.065 0.807 -3.657 473 HD21 LEU 74 HD21 LEU 74 43.291 0.475 -1.041 474 HD22 LEU 74 HD22 LEU 74 44.336 1.797 -0.511 475 HD23 LEU 74 HD23 LEU 74 44.436 0.226 0.282 476 HA PRO 75 HA PRO 75 47.968 -5.873 -1.662 477 HB2 PRO 75 HB2 PRO 75 48.351 -4.557 1.051 478 HB3 PRO 75 HB1 PRO 75 49.286 -5.857 0.288 479 HG2 PRO 75 HG2 PRO 75 50.249 -3.380 0.256 480 HG3 PRO 75 HG1 PRO 75 50.372 -4.392 -1.198 481 HD2 PRO 75 HD2 PRO 75 48.503 -2.097 -0.639 482 HD3 PRO 75 HD1 PRO 75 49.274 -2.584 -2.167 483 H HIS 76 HN HIS 76 46.140 -3.674 0.483 484 HA HIS 76 HA HIS 76 44.201 -5.614 1.345 485 HB2 HIS 76 HB2 HIS 76 44.088 -2.563 1.376 486 HB3 HIS 76 HB1 HIS 76 42.908 -3.614 2.153 487 HD1 HIS 76 HD1 HIS 76 44.010 -1.804 4.077 488 HD2 HIS 76 HD2 HIS 76 46.130 -5.226 3.045 489 HE1 HIS 76 HE1 HIS 76 45.612 -2.197 5.976 490 HE2 HIS 76 HE2 HIS 76 47.001 -4.168 5.243 491 H VAL 77 HN VAL 77 43.234 -6.615 -0.355 492 HA VAL 77 HA VAL 77 42.444 -5.409 -2.800 493 HB VAL 77 HB VAL 77 41.600 -8.070 -1.559 494 HG11 VAL 77 HG11 VAL 77 41.305 -7.134 -4.442 495 HG12 VAL 77 HG12 VAL 77 39.988 -7.421 -3.303 496 HG13 VAL 77 HG13 VAL 77 40.978 -8.770 -3.860 497 HG21 VAL 77 HG21 VAL 77 43.794 -7.452 -3.587 498 HG22 VAL 77 HG22 VAL 77 43.341 -9.065 -3.028 499 HG23 VAL 77 HG23 VAL 77 44.043 -7.907 -1.897 500 H PHE 78 HN PHE 78 41.111 -3.720 -2.546 501 HA PHE 78 HA PHE 78 38.745 -3.733 -0.880 502 HB2 PHE 78 HB2 PHE 78 38.501 -1.352 -1.676 503 HB3 PHE 78 HB1 PHE 78 40.041 -1.688 -0.910 504 HD1 PHE 78 HD2 PHE 78 42.121 -2.032 -2.442 505 HD2 PHE 78 HD1 PHE 78 38.445 -0.375 -3.876 506 HE1 PHE 78 HE2 PHE 78 43.301 -1.056 -4.370 507 HE2 PHE 78 HE1 PHE 78 39.636 0.597 -5.792 508 HZ PHE 78 HZ PHE 78 42.061 0.260 -6.041 509 H ASN 79 HN ASN 79 37.986 -5.658 -2.148 510 HA ASN 79 HA ASN 79 36.664 -6.772 -3.574 511 HB2 ASN 79 HB2 ASN 79 35.467 -4.010 -4.028 512 HB3 ASN 79 HB1 ASN 79 34.819 -5.457 -4.796 513 HD21 ASN 79 HD21 ASN 79 35.263 -3.791 -1.744 514 HD22 ASN 79 HD22 ASN 79 34.109 -4.715 -0.852 515 H GLU 80 HN GLU 80 38.205 -7.580 -4.927 516 HA GLU 80 HA GLU 80 39.445 -6.221 -7.066 517 HB2 GLU 80 HB2 GLU 80 40.058 -8.526 -7.913 518 HB3 GLU 80 HB1 GLU 80 40.501 -8.209 -6.245 519 HG2 GLU 80 HG2 GLU 80 38.433 -9.483 -5.541 520 HG3 GLU 80 HG1 GLU 80 38.208 -9.923 -7.229 521 H GLY 81 HN GLY 81 38.518 -5.412 -8.795 522 HA2 GLY 81 HA2 GLY 81 36.562 -6.873 -10.371 523 HA3 GLY 81 HA1 GLY 81 35.982 -5.384 -9.624 524 H ARG 82 HN ARG 82 36.238 -6.018 -12.393 525 HA ARG 82 HA ARG 82 37.385 -3.567 -13.343 526 HB2 ARG 82 HB2 ARG 82 38.934 -4.592 -14.993 527 HB3 ARG 82 HB1 ARG 82 39.434 -4.910 -13.334 528 HG2 ARG 82 HG2 ARG 82 38.576 -7.202 -13.465 529 HG3 ARG 82 HG1 ARG 82 37.942 -6.902 -15.089 530 HD2 ARG 82 HD2 ARG 82 40.861 -6.952 -14.245 531 HD3 ARG 82 HD1 ARG 82 40.028 -8.128 -15.269 532 HE ARG 82 HE ARG 82 40.514 -5.304 -16.036 533 HH11 ARG 82 HH11 ARG 82 40.391 -8.695 -16.951 534 HH12 ARG 82 HH12 ARG 82 40.754 -8.376 -18.616 535 HH21 ARG 82 HH21 ARG 82 40.972 -4.898 -18.200 536 HH22 ARG 82 HH22 ARG 82 41.101 -6.215 -19.322 537 H GLY 83 HN GLY 83 34.917 -5.386 -13.220 538 HA2 GLY 83 HA2 GLY 83 34.186 -5.747 -16.039 539 HA3 GLY 83 HA1 GLY 83 33.315 -6.338 -14.630 Start of MODEL 3 1 H1 SER 11 HT1 SER 11 21.005 23.987 13.094 2 H2 SER 11 HT2 SER 11 21.292 22.594 14.007 3 H3 SER 11 HT3 SER 11 21.406 24.115 14.734 4 HA SER 11 HA SER 11 19.379 23.045 15.381 5 HB2 SER 11 HB2 SER 11 18.859 25.347 13.438 6 HB3 SER 11 HB1 SER 11 17.856 24.883 14.819 7 HG SER 11 HG SER 11 19.449 25.536 16.193 8 H ALA 12 HN ALA 12 19.297 23.745 11.872 9 HA ALA 12 HA ALA 12 18.100 21.112 11.341 10 HB1 ALA 12 HB1 ALA 12 16.329 22.064 9.914 11 HB2 ALA 12 HB2 ALA 12 16.830 23.699 10.351 12 HB3 ALA 12 HB3 ALA 12 16.154 22.628 11.579 13 H GLU 13 HN GLU 13 18.519 24.096 9.424 14 HA GLU 13 HA GLU 13 19.629 24.658 7.548 15 HB2 GLU 13 HB2 GLU 13 21.805 22.923 8.776 16 HB3 GLU 13 HB1 GLU 13 22.060 24.040 7.451 17 HG2 GLU 13 HG2 GLU 13 22.871 25.179 9.336 18 HG3 GLU 13 HG1 GLU 13 21.290 25.900 9.036 19 H CYS 14 HN CYS 14 18.119 21.955 7.444 20 HA CYS 14 HA CYS 14 19.184 21.023 4.872 21 HB2 CYS 14 HB2 CYS 14 19.040 18.660 5.600 22 HB3 CYS 14 HB1 CYS 14 20.179 19.558 6.598 23 HG CYS 14 HG CYS 14 16.970 18.872 7.554 24 H TRP 15 HN TRP 15 17.578 20.735 3.436 25 HA TRP 15 HA TRP 15 14.794 20.353 4.354 26 HB2 TRP 15 HB2 TRP 15 15.785 22.565 2.491 27 HB3 TRP 15 HB1 TRP 15 14.099 22.074 2.567 28 HD1 TRP 15 HD1 TRP 15 16.763 23.933 4.617 29 HE1 TRP 15 HE1 TRP 15 15.594 25.240 6.494 30 HE3 TRP 15 HE3 TRP 15 12.013 22.070 4.090 31 HZ2 TRP 15 HZ2 TRP 15 13.018 25.451 7.617 32 HZ3 TRP 15 HZ3 TRP 15 10.252 22.877 5.614 33 HH2 TRP 15 HH2 TRP 15 10.747 24.537 7.344 34 H ALA 16 HN ALA 16 15.494 18.169 3.709 35 HA ALA 16 HA ALA 16 15.830 17.553 0.890 36 HB1 ALA 16 HB1 ALA 16 15.923 15.202 1.647 37 HB2 ALA 16 HB2 ALA 16 15.457 15.711 3.275 38 HB3 ALA 16 HB3 ALA 16 16.996 16.232 2.597 39 H ALA 17 HN ALA 17 13.184 18.272 2.810 40 HA ALA 17 HA ALA 17 11.158 16.537 1.798 41 HB1 ALA 17 HB1 ALA 17 10.915 17.801 3.899 42 HB2 ALA 17 HB2 ALA 17 9.585 18.141 2.790 43 HB3 ALA 17 HB3 ALA 17 10.890 19.316 2.992 44 H LEU 18 HN LEU 18 12.718 19.337 0.497 45 HA LEU 18 HA LEU 18 10.596 20.137 -1.332 46 HB2 LEU 18 HB2 LEU 18 13.430 21.150 -0.843 47 HB3 LEU 18 HB1 LEU 18 12.432 21.763 -2.150 48 HG LEU 18 HG LEU 18 10.765 22.598 -0.505 49 HD11 LEU 18 HD11 LEU 18 12.704 21.707 1.643 50 HD12 LEU 18 HD12 LEU 18 11.094 21.049 1.343 51 HD13 LEU 18 HD13 LEU 18 11.272 22.713 1.889 52 HD21 LEU 18 HD21 LEU 18 12.086 24.490 0.334 53 HD22 LEU 18 HD22 LEU 18 12.514 24.101 -1.332 54 HD23 LEU 18 HD23 LEU 18 13.581 23.615 -0.010 55 H LEU 19 HN LEU 19 11.385 20.576 -3.710 56 HA LEU 19 HA LEU 19 12.194 18.111 -4.927 57 HB2 LEU 19 HB2 LEU 19 12.212 19.548 -7.089 58 HB3 LEU 19 HB1 LEU 19 10.695 19.302 -6.249 59 HG LEU 19 HG LEU 19 10.954 21.606 -5.232 60 HD11 LEU 19 HD11 LEU 19 12.448 23.237 -6.291 61 HD12 LEU 19 HD12 LEU 19 13.221 21.938 -7.203 62 HD13 LEU 19 HD13 LEU 19 13.336 21.972 -5.443 63 HD21 LEU 19 HD21 LEU 19 10.781 21.499 -8.260 64 HD22 LEU 19 HD22 LEU 19 10.187 22.807 -7.230 65 HD23 LEU 19 HD23 LEU 19 9.458 21.206 -7.126 66 H HIS 20 HN HIS 20 14.012 17.955 -6.521 67 HA HIS 20 HA HIS 20 16.453 18.636 -5.062 68 HB2 HIS 20 HB2 HIS 20 15.793 16.267 -5.867 69 HB3 HIS 20 HB1 HIS 20 16.251 16.806 -7.476 70 HD1 HIS 20 HD1 HIS 20 18.601 16.261 -8.058 71 HD2 HIS 20 HD2 HIS 20 18.093 16.703 -3.953 72 HE1 HIS 20 HE1 HIS 20 20.818 15.679 -7.034 73 HE2 HIS 20 HE2 HIS 20 20.535 16.116 -4.579 74 H ASP 21 HN ASP 21 14.869 19.329 -8.123 75 HA ASP 21 HA ASP 21 16.911 21.382 -8.685 76 HB2 ASP 21 HB2 ASP 21 17.249 19.381 -10.213 77 HB3 ASP 21 HB1 ASP 21 15.645 19.662 -10.874 78 HA PRO 22 HA PRO 22 13.244 23.953 -8.410 79 HB2 PRO 22 HB2 PRO 22 14.868 25.927 -9.999 80 HB3 PRO 22 HB1 PRO 22 14.043 26.126 -8.448 81 HG2 PRO 22 HG2 PRO 22 16.688 25.869 -8.524 82 HG3 PRO 22 HG1 PRO 22 15.758 25.050 -7.247 83 HD2 PRO 22 HD2 PRO 22 16.916 23.900 -9.792 84 HD3 PRO 22 HD1 PRO 22 16.928 23.223 -8.148 85 H MET 23 HN MET 23 14.574 23.110 -11.581 86 HA MET 23 HA MET 23 11.965 23.540 -12.831 87 HB2 MET 23 HB2 MET 23 13.013 25.784 -12.970 88 HB3 MET 23 HB1 MET 23 14.404 25.098 -13.799 89 HG2 MET 23 HG2 MET 23 12.951 24.464 -15.692 90 HG3 MET 23 HG1 MET 23 11.567 25.178 -14.856 91 HE1 MET 23 HE1 MET 23 11.106 26.636 -17.071 92 HE2 MET 23 HE2 MET 23 12.546 26.030 -17.892 93 HE3 MET 23 HE3 MET 23 12.269 27.767 -17.762 94 H THR 24 HN THR 24 15.255 23.317 -14.263 95 HA THR 24 HA THR 24 14.678 20.672 -15.389 96 HB THR 24 HB THR 24 13.686 22.135 -17.082 97 HG1 THR 24 HG1 THR 24 15.918 21.601 -18.552 98 HG21 THR 24 HG21 THR 24 16.371 23.544 -17.279 99 HG22 THR 24 HG22 THR 24 14.883 24.243 -16.633 100 HG23 THR 24 HG23 THR 24 14.992 23.812 -18.343 101 H LEU 25 HN LEU 25 16.896 23.398 -15.057 102 HA LEU 25 HA LEU 25 19.008 21.749 -14.078 103 HB2 LEU 25 HB2 LEU 25 19.411 21.422 -16.526 104 HB3 LEU 25 HB1 LEU 25 19.477 23.162 -16.750 105 HG LEU 25 HG LEU 25 21.487 23.189 -15.153 106 HD11 LEU 25 HD11 LEU 25 21.149 21.048 -14.048 107 HD12 LEU 25 HD12 LEU 25 22.738 21.126 -14.804 108 HD13 LEU 25 HD13 LEU 25 21.448 20.191 -15.565 109 HD21 LEU 25 HD21 LEU 25 21.863 21.685 -17.757 110 HD22 LEU 25 HD22 LEU 25 23.106 22.558 -16.853 111 HD23 LEU 25 HD23 LEU 25 21.761 23.440 -17.570 112 H ASP 26 HN ASP 26 19.096 23.056 -12.323 113 HA ASP 26 HA ASP 26 19.851 25.895 -12.739 114 HB2 ASP 26 HB2 ASP 26 17.881 25.465 -11.205 115 HB3 ASP 26 HB1 ASP 26 18.962 24.575 -10.126 116 H MET 27 HN MET 27 21.980 25.925 -13.005 117 HA MET 27 HA MET 27 23.763 23.876 -12.273 118 HB2 MET 27 HB2 MET 27 24.295 26.731 -13.174 119 HB3 MET 27 HB1 MET 27 25.547 25.501 -13.029 120 HG2 MET 27 HG2 MET 27 24.399 24.143 -14.746 121 HG3 MET 27 HG1 MET 27 23.151 25.386 -14.886 122 HE1 MET 27 HE1 MET 27 25.185 25.740 -18.242 123 HE2 MET 27 HE2 MET 27 23.592 25.468 -17.532 124 HE3 MET 27 HE3 MET 27 24.854 24.247 -17.364 125 H ASP 28 HN ASP 28 22.752 26.732 -10.532 126 HA ASP 28 HA ASP 28 24.880 26.815 -8.598 127 HB2 ASP 28 HB2 ASP 28 23.389 28.776 -9.063 128 HB3 ASP 28 HB1 ASP 28 22.020 27.882 -8.419 129 H ALA 29 HN ALA 29 21.642 25.347 -8.714 130 HA ALA 29 HA ALA 29 21.661 24.205 -6.088 131 HB1 ALA 29 HB1 ALA 29 19.689 22.935 -6.847 132 HB2 ALA 29 HB2 ALA 29 20.006 23.418 -8.520 133 HB3 ALA 29 HB3 ALA 29 19.570 24.632 -7.313 134 H VAL 30 HN VAL 30 22.521 22.990 -9.293 135 HA VAL 30 HA VAL 30 23.032 20.286 -8.638 136 HB VAL 30 HB VAL 30 24.064 22.015 -10.936 137 HG11 VAL 30 HG11 VAL 30 25.639 20.158 -10.663 138 HG12 VAL 30 HG12 VAL 30 24.663 19.899 -12.109 139 HG13 VAL 30 HG13 VAL 30 24.310 18.999 -10.634 140 HG21 VAL 30 HG21 VAL 30 21.843 19.934 -10.865 141 HG22 VAL 30 HG22 VAL 30 22.363 20.836 -12.291 142 HG23 VAL 30 HG23 VAL 30 21.614 21.683 -10.936 143 H LEU 31 HN LEU 31 25.100 23.161 -8.804 144 HA LEU 31 HA LEU 31 27.589 21.941 -8.182 145 HB2 LEU 31 HB2 LEU 31 27.353 24.200 -9.229 146 HB3 LEU 31 HB1 LEU 31 26.680 24.818 -7.731 147 HG LEU 31 HG LEU 31 28.851 24.377 -6.576 148 HD11 LEU 31 HD11 LEU 31 29.639 22.502 -7.896 149 HD12 LEU 31 HD12 LEU 31 30.837 23.791 -7.885 150 HD13 LEU 31 HD13 LEU 31 29.833 23.538 -9.314 151 HD21 LEU 31 HD21 LEU 31 29.133 26.100 -9.068 152 HD22 LEU 31 HD22 LEU 31 30.149 26.182 -7.624 153 HD23 LEU 31 HD23 LEU 31 28.443 26.608 -7.522 154 H SER 32 HN SER 32 25.113 23.556 -6.226 155 HA SER 32 HA SER 32 26.432 23.567 -3.731 156 HB2 SER 32 HB2 SER 32 24.440 24.979 -4.260 157 HB3 SER 32 HB1 SER 32 23.416 23.547 -4.247 158 HG SER 32 HG SER 32 25.016 24.279 -2.029 159 H ASP 33 HN ASP 33 24.252 21.248 -5.263 160 HA ASP 33 HA ASP 33 23.799 19.593 -2.986 161 HB2 ASP 33 HB2 ASP 33 22.314 19.779 -5.095 162 HB3 ASP 33 HB1 ASP 33 23.486 18.737 -5.899 163 H PHE 34 HN PHE 34 26.007 19.427 -5.765 164 HA PHE 34 HA PHE 34 27.307 16.990 -5.280 165 HB2 PHE 34 HB2 PHE 34 27.592 18.439 -7.334 166 HB3 PHE 34 HB1 PHE 34 28.568 19.550 -6.388 167 HD1 PHE 34 HD1 PHE 34 30.739 18.524 -5.279 168 HD2 PHE 34 HD2 PHE 34 28.653 16.695 -8.532 169 HE1 PHE 34 HE1 PHE 34 32.755 17.240 -5.864 170 HE2 PHE 34 HE2 PHE 34 30.671 15.426 -9.093 171 HZ PHE 34 HZ PHE 34 32.714 15.699 -7.767 172 H VAL 35 HN VAL 35 28.207 20.265 -4.223 173 HA VAL 35 HA VAL 35 30.451 19.541 -2.644 174 HB VAL 35 HB VAL 35 28.746 22.067 -2.714 175 HG11 VAL 35 HG11 VAL 35 31.443 21.713 -1.358 176 HG12 VAL 35 HG12 VAL 35 29.904 22.008 -0.546 177 HG13 VAL 35 HG13 VAL 35 30.604 23.249 -1.587 178 HG21 VAL 35 HG21 VAL 35 30.571 22.990 -4.097 179 HG22 VAL 35 HG22 VAL 35 29.892 21.536 -4.838 180 HG23 VAL 35 HG23 VAL 35 31.440 21.455 -3.991 181 H ARG 36 HN ARG 36 27.041 19.767 -1.948 182 HA ARG 36 HA ARG 36 27.218 19.773 0.925 183 HB2 ARG 36 HB2 ARG 36 25.287 20.691 -0.426 184 HB3 ARG 36 HB1 ARG 36 24.853 19.039 -0.856 185 HG2 ARG 36 HG2 ARG 36 24.414 18.536 1.527 186 HG3 ARG 36 HG1 ARG 36 24.877 20.189 1.958 187 HD2 ARG 36 HD2 ARG 36 22.508 19.331 0.258 188 HD3 ARG 36 HD1 ARG 36 22.460 20.075 1.861 189 HE ARG 36 HE ARG 36 23.810 21.881 0.279 190 HH11 ARG 36 HH11 ARG 36 20.606 20.450 0.168 191 HH12 ARG 36 HH12 ARG 36 19.907 21.789 -0.679 192 HH21 ARG 36 HH21 ARG 36 22.889 23.627 -0.839 193 HH22 ARG 36 HH22 ARG 36 21.200 23.598 -1.237 194 H SER 37 HN SER 37 26.999 17.356 -1.598 195 HA SER 37 HA SER 37 26.302 15.155 0.168 196 HB2 SER 37 HB2 SER 37 25.408 15.231 -2.135 197 HB3 SER 37 HB1 SER 37 27.040 15.187 -2.798 198 HG SER 37 HG SER 37 25.999 13.119 -2.759 199 H THR 38 HN THR 38 29.071 15.950 -1.934 200 HA THR 38 HA THR 38 30.686 13.751 -0.948 201 HB THR 38 HB THR 38 32.322 14.494 -2.665 202 HG1 THR 38 HG1 THR 38 30.650 16.385 -3.793 203 HG21 THR 38 HG21 THR 38 30.479 12.991 -3.380 204 HG22 THR 38 HG22 THR 38 30.949 14.094 -4.675 205 HG23 THR 38 HG23 THR 38 29.476 14.398 -3.752 206 H GLY 39 HN GLY 39 30.393 17.188 -0.404 207 HA2 GLY 39 HA2 GLY 39 31.483 18.611 1.035 208 HA3 GLY 39 HA1 GLY 39 32.440 17.263 1.631 209 H ALA 40 HN ALA 40 32.387 17.862 -1.782 210 HA ALA 40 HA ALA 40 35.257 18.276 -1.857 211 HB1 ALA 40 HB1 ALA 40 34.979 18.135 -4.298 212 HB2 ALA 40 HB2 ALA 40 33.221 18.193 -4.123 213 HB3 ALA 40 HB3 ALA 40 34.128 16.814 -3.495 214 H GLU 41 HN GLU 41 36.209 19.957 -3.262 215 HA GLU 41 HA GLU 41 35.528 22.611 -2.565 216 HB2 GLU 41 HB2 GLU 41 37.812 22.011 -3.172 217 HB3 GLU 41 HB1 GLU 41 37.288 21.422 -4.740 218 HG2 GLU 41 HG2 GLU 41 36.701 23.748 -5.389 219 HG3 GLU 41 HG1 GLU 41 37.338 24.313 -3.845 220 HA PRO 42 HA PRO 42 32.213 23.339 -5.621 221 HB2 PRO 42 HB2 PRO 42 32.199 26.105 -5.622 222 HB3 PRO 42 HB1 PRO 42 31.467 25.120 -4.347 223 HG2 PRO 42 HG2 PRO 42 34.166 26.457 -4.402 224 HG3 PRO 42 HG1 PRO 42 32.983 26.392 -3.079 225 HD2 PRO 42 HD2 PRO 42 35.168 24.785 -3.141 226 HD3 PRO 42 HD1 PRO 42 33.632 24.221 -2.453 227 H GLY 43 HN GLY 43 35.364 24.968 -5.991 228 HA2 GLY 43 HA2 GLY 43 35.154 25.604 -8.765 229 HA3 GLY 43 HA1 GLY 43 36.648 25.433 -7.849 230 H LEU 44 HN LEU 44 36.487 22.839 -7.014 231 HA LEU 44 HA LEU 44 37.386 21.259 -9.180 232 HB2 LEU 44 HB2 LEU 44 37.935 20.893 -6.744 233 HB3 LEU 44 HB1 LEU 44 36.290 20.336 -6.492 234 HG LEU 44 HG LEU 44 36.800 18.469 -8.207 235 HD11 LEU 44 HD11 LEU 44 39.164 17.905 -8.550 236 HD12 LEU 44 HD12 LEU 44 39.648 19.381 -7.708 237 HD13 LEU 44 HD13 LEU 44 38.771 19.483 -9.239 238 HD21 LEU 44 HD21 LEU 44 36.653 18.037 -5.790 239 HD22 LEU 44 HD22 LEU 44 38.355 18.465 -5.596 240 HD23 LEU 44 HD23 LEU 44 37.905 17.044 -6.541 241 H ALA 45 HN ALA 45 34.350 21.393 -7.410 242 HA ALA 45 HA ALA 45 32.968 19.208 -8.475 243 HB1 ALA 45 HB1 ALA 45 32.289 20.351 -6.406 244 HB2 ALA 45 HB2 ALA 45 30.950 20.324 -7.557 245 HB3 ALA 45 HB3 ALA 45 31.886 21.804 -7.319 246 H ARG 46 HN ARG 46 32.800 22.648 -9.267 247 HA ARG 46 HA ARG 46 30.991 22.619 -11.384 248 HB2 ARG 46 HB2 ARG 46 31.382 24.724 -10.459 249 HB3 ARG 46 HB1 ARG 46 33.121 24.528 -10.420 250 HG2 ARG 46 HG2 ARG 46 31.845 24.760 -13.127 251 HG3 ARG 46 HG1 ARG 46 31.855 26.207 -12.120 252 HD2 ARG 46 HD2 ARG 46 34.298 26.076 -11.909 253 HD3 ARG 46 HD1 ARG 46 34.320 24.574 -12.846 254 HE ARG 46 HE ARG 46 33.133 26.276 -14.553 255 HH11 ARG 46 HH11 ARG 46 36.080 26.645 -12.682 256 HH12 ARG 46 HH12 ARG 46 36.862 27.610 -13.894 257 HH21 ARG 46 HH21 ARG 46 34.172 27.485 -16.139 258 HH22 ARG 46 HH22 ARG 46 35.780 28.076 -15.861 259 H ASP 47 HN ASP 47 34.537 22.277 -11.454 260 HA ASP 47 HA ASP 47 34.903 22.192 -14.261 261 HB2 ASP 47 HB2 ASP 47 36.809 22.507 -12.745 262 HB3 ASP 47 HB1 ASP 47 36.544 20.924 -12.021 263 H LEU 48 HN LEU 48 34.406 19.558 -11.886 264 HA LEU 48 HA LEU 48 34.535 17.388 -13.727 265 HB2 LEU 48 HB2 LEU 48 33.097 17.449 -11.042 266 HB3 LEU 48 HB1 LEU 48 33.534 15.994 -11.948 267 HG LEU 48 HG LEU 48 35.498 17.963 -10.684 268 HD11 LEU 48 HD11 LEU 48 34.313 16.657 -8.995 269 HD12 LEU 48 HD12 LEU 48 36.005 16.176 -9.091 270 HD13 LEU 48 HD13 LEU 48 34.757 15.155 -9.814 271 HD21 LEU 48 HD21 LEU 48 36.069 15.347 -12.110 272 HD22 LEU 48 HD22 LEU 48 37.251 16.354 -11.269 273 HD23 LEU 48 HD23 LEU 48 36.445 16.968 -12.709 274 H LEU 49 HN LEU 49 31.916 19.428 -12.590 275 HA LEU 49 HA LEU 49 29.720 17.972 -13.625 276 HB2 LEU 49 HB2 LEU 49 30.072 20.859 -12.771 277 HB3 LEU 49 HB1 LEU 49 28.549 20.296 -13.442 278 HG LEU 49 HG LEU 49 29.827 19.048 -10.971 279 HD11 LEU 49 HD11 LEU 49 29.300 21.390 -10.481 280 HD12 LEU 49 HD12 LEU 49 28.234 20.298 -9.600 281 HD13 LEU 49 HD13 LEU 49 27.640 21.148 -11.032 282 HD21 LEU 49 HD21 LEU 49 27.595 18.081 -10.603 283 HD22 LEU 49 HD22 LEU 49 28.265 17.573 -12.148 284 HD23 LEU 49 HD23 LEU 49 27.014 18.816 -12.101 285 H GLU 50 HN GLU 50 31.451 20.851 -14.904 286 HA GLU 50 HA GLU 50 30.084 21.237 -17.290 287 HB2 GLU 50 HB2 GLU 50 33.045 21.666 -16.725 288 HB3 GLU 50 HB1 GLU 50 32.213 22.294 -18.146 289 HG2 GLU 50 HG2 GLU 50 30.845 23.745 -16.770 290 HG3 GLU 50 HG1 GLU 50 31.495 23.032 -15.298 291 H GLY 51 HN GLY 51 32.889 19.147 -16.671 292 HA2 GLY 51 HA2 GLY 51 33.318 18.173 -19.277 293 HA3 GLY 51 HA1 GLY 51 33.809 17.382 -17.791 294 H LYS 52 HN LYS 52 31.045 17.172 -16.776 295 HA LYS 52 HA LYS 52 30.160 14.837 -18.340 296 HB2 LYS 52 HB2 LYS 52 29.303 15.709 -15.541 297 HB3 LYS 52 HB1 LYS 52 28.891 14.187 -16.333 298 HG2 LYS 52 HG2 LYS 52 31.626 15.091 -15.391 299 HG3 LYS 52 HG1 LYS 52 30.641 13.793 -14.711 300 HD2 LYS 52 HD2 LYS 52 30.951 12.477 -16.776 301 HD3 LYS 52 HD1 LYS 52 31.866 13.802 -17.503 302 HE2 LYS 52 HE2 LYS 52 32.685 12.187 -15.063 303 HE3 LYS 52 HE1 LYS 52 33.382 12.076 -16.675 304 HZ1 LYS 52 HZ1 LYS 52 34.766 13.408 -15.232 305 HZ2 LYS 52 HZ2 LYS 52 33.483 14.454 -14.910 306 HZ3 LYS 52 HZ3 LYS 52 34.130 14.374 -16.466 307 H ASN 53 HN ASN 53 29.528 17.931 -18.694 308 HA ASN 53 HA ASN 53 27.906 19.157 -19.730 309 HB2 ASN 53 HB2 ASN 53 26.297 16.565 -19.914 310 HB3 ASN 53 HB1 ASN 53 25.960 18.056 -20.796 311 HD21 ASN 53 HD21 ASN 53 27.995 15.251 -20.582 312 HD22 ASN 53 HD22 ASN 53 28.840 15.475 -22.074 313 H TRP 54 HN TRP 54 28.029 19.006 -16.947 314 HA TRP 54 HA TRP 54 27.106 19.450 -14.966 315 HB2 TRP 54 HB2 TRP 54 25.043 20.800 -16.733 316 HB3 TRP 54 HB1 TRP 54 24.999 20.902 -14.976 317 HD1 TRP 54 HD1 TRP 54 27.112 22.072 -17.970 318 HE1 TRP 54 HE1 TRP 54 28.644 23.984 -17.195 319 HE3 TRP 54 HE3 TRP 54 26.158 21.886 -12.947 320 HZ2 TRP 54 HZ2 TRP 54 29.374 25.240 -14.773 321 HZ3 TRP 54 HZ3 TRP 54 27.322 23.479 -11.458 322 HH2 TRP 54 HH2 TRP 54 28.898 25.120 -12.359 323 H ASP 55 HN ASP 55 26.323 16.930 -16.430 324 HA ASP 55 HA ASP 55 23.971 15.977 -15.116 325 HB2 ASP 55 HB2 ASP 55 26.338 14.611 -16.454 326 HB3 ASP 55 HB1 ASP 55 25.154 13.675 -15.550 327 H LEU 56 HN LEU 56 23.934 16.331 -13.004 328 HA LEU 56 HA LEU 56 26.006 16.536 -11.188 329 HB2 LEU 56 HB2 LEU 56 23.728 17.309 -10.683 330 HB3 LEU 56 HB1 LEU 56 23.139 15.656 -10.681 331 HG LEU 56 HG LEU 56 24.468 15.165 -8.638 332 HD11 LEU 56 HD11 LEU 56 26.346 16.688 -8.951 333 HD12 LEU 56 HD12 LEU 56 25.582 16.975 -7.389 334 HD13 LEU 56 HD13 LEU 56 25.287 18.085 -8.732 335 HD21 LEU 56 HD21 LEU 56 22.160 15.917 -8.389 336 HD22 LEU 56 HD22 LEU 56 22.688 17.604 -8.366 337 HD23 LEU 56 HD23 LEU 56 23.153 16.514 -7.057 338 H THR 57 HN THR 57 23.965 13.691 -11.827 339 HA THR 57 HA THR 57 25.035 12.014 -9.842 340 HB THR 57 HB THR 57 23.687 11.053 -12.401 341 HG1 THR 57 HG1 THR 57 21.730 11.559 -11.394 342 HG21 THR 57 HG21 THR 57 24.505 9.272 -10.864 343 HG22 THR 57 HG22 THR 57 22.743 9.313 -10.928 344 HG23 THR 57 HG23 THR 57 23.585 10.005 -9.542 345 H ALA 58 HN ALA 58 25.897 12.479 -13.239 346 HA ALA 58 HA ALA 58 27.752 10.302 -13.494 347 HB1 ALA 58 HB1 ALA 58 26.647 11.321 -15.458 348 HB2 ALA 58 HB2 ALA 58 28.405 11.370 -15.614 349 HB3 ALA 58 HB3 ALA 58 27.516 12.830 -15.167 350 H ALA 59 HN ALA 59 28.042 13.711 -12.573 351 HA ALA 59 HA ALA 59 30.927 13.742 -12.485 352 HB1 ALA 59 HB1 ALA 59 29.645 15.801 -12.881 353 HB2 ALA 59 HB2 ALA 59 30.671 15.954 -11.450 354 HB3 ALA 59 HB3 ALA 59 28.934 15.677 -11.270 355 H LEU 60 HN LEU 60 28.324 13.266 -10.113 356 HA LEU 60 HA LEU 60 29.823 13.010 -7.743 357 HB2 LEU 60 HB2 LEU 60 27.244 11.652 -8.616 358 HB3 LEU 60 HB1 LEU 60 27.910 11.455 -7.001 359 HG LEU 60 HG LEU 60 26.976 14.102 -8.195 360 HD11 LEU 60 HD11 LEU 60 25.063 13.927 -6.664 361 HD12 LEU 60 HD12 LEU 60 25.602 12.325 -6.150 362 HD13 LEU 60 HD13 LEU 60 25.092 12.595 -7.820 363 HD21 LEU 60 HD21 LEU 60 27.203 14.999 -5.917 364 HD22 LEU 60 HD22 LEU 60 28.751 14.444 -6.545 365 HD23 LEU 60 HD23 LEU 60 27.878 13.461 -5.364 366 H SER 61 HN SER 61 28.867 10.631 -10.203 367 HA SER 61 HA SER 61 30.096 8.342 -9.103 368 HB2 SER 61 HB2 SER 61 29.319 8.954 -11.980 369 HB3 SER 61 HB1 SER 61 29.808 7.359 -11.396 370 HG SER 61 HG SER 61 27.792 8.652 -9.972 371 H ASP 62 HN ASP 62 31.308 10.923 -11.117 372 HA ASP 62 HA ASP 62 33.774 9.674 -11.914 373 HB2 ASP 62 HB2 ASP 62 32.706 11.499 -13.228 374 HB3 ASP 62 HB1 ASP 62 32.964 12.613 -11.886 375 H TYR 63 HN TYR 63 32.821 11.992 -9.392 376 HA TYR 63 HA TYR 63 35.416 12.472 -8.339 377 HB2 TYR 63 HB2 TYR 63 33.509 14.007 -7.973 378 HB3 TYR 63 HB1 TYR 63 32.693 12.782 -7.007 379 HD1 TYR 63 HD2 TYR 63 35.781 14.892 -7.133 380 HD2 TYR 63 HD1 TYR 63 33.148 12.622 -4.645 381 HE1 TYR 63 HE2 TYR 63 36.971 15.681 -5.138 382 HE2 TYR 63 HE1 TYR 63 34.352 13.416 -2.648 383 HH TYR 63 HH TYR 63 36.571 15.995 -2.758 384 H GLU 64 HN GLU 64 32.773 10.264 -7.379 385 HA GLU 64 HA GLU 64 34.113 9.185 -5.096 386 HB2 GLU 64 HB2 GLU 64 32.295 7.587 -4.944 387 HB3 GLU 64 HB1 GLU 64 31.604 9.140 -5.406 388 HG2 GLU 64 HG2 GLU 64 31.550 8.351 -7.775 389 HG3 GLU 64 HG1 GLU 64 32.120 6.777 -7.239 390 H GLN 65 HN GLN 65 34.126 8.456 -8.527 391 HA GLN 65 HA GLN 65 35.337 5.911 -8.580 392 HB2 GLN 65 HB2 GLN 65 34.410 6.956 -10.589 393 HB3 GLN 65 HB1 GLN 65 35.561 8.277 -10.481 394 HG2 GLN 65 HG2 GLN 65 37.393 6.525 -10.872 395 HG3 GLN 65 HG1 GLN 65 36.096 5.406 -11.280 396 HE21 GLN 65 HE21 GLN 65 36.126 8.874 -12.084 397 HE22 GLN 65 HE22 GLN 65 36.238 8.650 -13.788 398 H LEU 66 HN LEU 66 36.858 9.162 -8.710 399 HA LEU 66 HA LEU 66 39.534 8.111 -8.568 400 HB2 LEU 66 HB2 LEU 66 40.252 10.486 -8.490 401 HB3 LEU 66 HB1 LEU 66 39.159 10.125 -9.805 402 HG LEU 66 HG LEU 66 37.312 11.113 -8.161 403 HD11 LEU 66 HD11 LEU 66 38.082 12.953 -6.761 404 HD12 LEU 66 HD12 LEU 66 39.764 12.523 -7.081 405 HD13 LEU 66 HD13 LEU 66 38.718 11.409 -6.194 406 HD21 LEU 66 HD21 LEU 66 39.214 12.907 -9.697 407 HD22 LEU 66 HD22 LEU 66 37.587 13.341 -9.160 408 HD23 LEU 66 HD23 LEU 66 37.808 12.058 -10.348 409 H ARG 67 HN ARG 67 37.185 8.988 -6.198 410 HA ARG 67 HA ARG 67 39.081 9.010 -3.969 411 HB2 ARG 67 HB2 ARG 67 36.055 9.266 -4.111 412 HB3 ARG 67 HB1 ARG 67 36.924 9.191 -2.582 413 HG2 ARG 67 HG2 ARG 67 37.563 11.294 -4.668 414 HG3 ARG 67 HG1 ARG 67 36.268 11.509 -3.496 415 HD2 ARG 67 HD2 ARG 67 38.376 12.615 -2.795 416 HD3 ARG 67 HD1 ARG 67 37.844 11.392 -1.650 417 HE ARG 67 HE ARG 67 39.611 9.962 -2.377 418 HH11 ARG 67 HH11 ARG 67 39.914 13.251 -3.632 419 HH12 ARG 67 HH12 ARG 67 41.592 13.057 -4.020 420 HH21 ARG 67 HH21 ARG 67 41.800 9.742 -2.924 421 HH22 ARG 67 HH22 ARG 67 42.656 11.083 -3.608 422 H GLN 68 HN GLN 68 37.294 6.672 -5.722 423 HA GLN 68 HA GLN 68 36.772 4.772 -3.658 424 HB2 GLN 68 HB2 GLN 68 35.600 4.879 -5.897 425 HB3 GLN 68 HB1 GLN 68 37.060 4.270 -6.657 426 HG2 GLN 68 HG2 GLN 68 35.423 2.498 -6.383 427 HG3 GLN 68 HG1 GLN 68 36.843 2.176 -5.382 428 HE21 GLN 68 HE21 GLN 68 33.484 3.197 -5.364 429 HE22 GLN 68 HE22 GLN 68 33.190 2.871 -3.693 430 H VAL 69 HN VAL 69 39.216 4.968 -6.233 431 HA VAL 69 HA VAL 69 41.304 4.194 -6.541 432 HB VAL 69 HB VAL 69 41.535 4.345 -3.500 433 HG11 VAL 69 HG11 VAL 69 43.959 4.696 -3.890 434 HG12 VAL 69 HG12 VAL 69 43.724 4.436 -5.620 435 HG13 VAL 69 HG13 VAL 69 43.434 3.118 -4.481 436 HG21 VAL 69 HG21 VAL 69 42.082 6.504 -5.576 437 HG22 VAL 69 HG22 VAL 69 42.379 6.636 -3.840 438 HG23 VAL 69 HG23 VAL 69 40.727 6.477 -4.440 439 H HIS 70 HN HIS 70 40.684 2.193 -7.388 440 HA HIS 70 HA HIS 70 41.096 -0.158 -5.636 441 HB2 HIS 70 HB2 HIS 70 39.106 0.288 -7.886 442 HB3 HIS 70 HB1 HIS 70 39.607 -1.342 -7.449 443 HD1 HIS 70 HD1 HIS 70 36.692 -0.634 -7.109 444 HD2 HIS 70 HD2 HIS 70 39.491 -0.135 -4.081 445 HE1 HIS 70 HE1 HIS 70 35.397 -0.780 -4.966 446 HE2 HIS 70 HE2 HIS 70 37.137 -0.659 -3.161 447 H THR 71 HN THR 71 41.207 0.722 -9.164 448 HA THR 71 HA THR 71 43.265 -1.245 -9.679 449 HB THR 71 HB THR 71 41.576 -0.556 -11.427 450 HG1 THR 71 HG1 THR 71 42.989 -1.027 -12.986 451 HG21 THR 71 HG21 THR 71 41.974 1.453 -12.780 452 HG22 THR 71 HG22 THR 71 43.289 1.938 -11.713 453 HG23 THR 71 HG23 THR 71 41.633 1.909 -11.108 454 H ALA 72 HN ALA 72 43.179 2.085 -8.730 455 HA ALA 72 HA ALA 72 46.030 2.592 -9.198 456 HB1 ALA 72 HB1 ALA 72 45.525 4.859 -8.359 457 HB2 ALA 72 HB2 ALA 72 43.882 4.359 -7.936 458 HB3 ALA 72 HB3 ALA 72 44.386 4.400 -9.627 459 H ASN 73 HN ASN 73 44.470 0.798 -6.976 460 HA ASN 73 HA ASN 73 45.755 1.846 -4.550 461 HB2 ASN 73 HB2 ASN 73 43.329 1.142 -4.498 462 HB3 ASN 73 HB1 ASN 73 43.820 -0.516 -4.838 463 HD21 ASN 73 HD21 ASN 73 43.027 -1.342 -2.881 464 HD22 ASN 73 HD22 ASN 73 43.718 -0.965 -1.344 465 H LEU 74 HN LEU 74 47.175 0.662 -3.325 466 HA LEU 74 HA LEU 74 48.691 -1.484 -4.581 467 HB2 LEU 74 HB2 LEU 74 49.982 -1.267 -2.257 468 HB3 LEU 74 HB1 LEU 74 50.228 -0.127 -3.559 469 HG LEU 74 HG LEU 74 48.820 1.544 -2.421 470 HD11 LEU 74 HD11 LEU 74 48.495 -0.446 -0.165 471 HD12 LEU 74 HD12 LEU 74 47.222 0.128 -1.242 472 HD13 LEU 74 HD13 LEU 74 48.004 1.250 -0.131 473 HD21 LEU 74 HD21 LEU 74 51.222 1.516 -1.982 474 HD22 LEU 74 HD22 LEU 74 50.984 0.405 -0.628 475 HD23 LEU 74 HD23 LEU 74 50.335 2.045 -0.553 476 HA PRO 75 HA PRO 75 46.689 -4.907 -2.434 477 HB2 PRO 75 HB2 PRO 75 49.356 -6.213 -2.045 478 HB3 PRO 75 HB1 PRO 75 47.954 -6.780 -2.965 479 HG2 PRO 75 HG2 PRO 75 50.172 -5.891 -4.202 480 HG3 PRO 75 HG1 PRO 75 48.560 -5.570 -4.875 481 HD2 PRO 75 HD2 PRO 75 50.346 -3.729 -3.270 482 HD3 PRO 75 HD1 PRO 75 49.410 -3.388 -4.745 483 H HIS 76 HN HIS 76 46.287 -3.401 -0.619 484 HA HIS 76 HA HIS 76 47.338 -4.489 1.887 485 HB2 HIS 76 HB2 HIS 76 47.514 -1.537 1.127 486 HB3 HIS 76 HB1 HIS 76 47.397 -2.023 2.814 487 HD1 HIS 76 HD1 HIS 76 49.356 -3.782 3.575 488 HD2 HIS 76 HD2 HIS 76 50.104 -1.464 0.206 489 HE1 HIS 76 HE1 HIS 76 51.842 -3.874 3.233 490 HE2 HIS 76 HE2 HIS 76 52.240 -2.593 1.110 491 H VAL 77 HN VAL 77 45.355 -5.470 2.141 492 HA VAL 77 HA VAL 77 42.865 -4.089 2.247 493 HB VAL 77 HB VAL 77 42.034 -6.101 3.530 494 HG11 VAL 77 HG11 VAL 77 43.552 -6.717 0.962 495 HG12 VAL 77 HG12 VAL 77 41.910 -6.076 1.078 496 HG13 VAL 77 HG13 VAL 77 42.261 -7.707 1.652 497 HG21 VAL 77 HG21 VAL 77 44.892 -7.123 3.223 498 HG22 VAL 77 HG22 VAL 77 43.523 -8.061 3.828 499 HG23 VAL 77 HG23 VAL 77 44.116 -6.674 4.743 500 H PHE 78 HN PHE 78 41.882 -3.088 3.926 501 HA PHE 78 HA PHE 78 43.644 -2.008 5.959 502 HB2 PHE 78 HB2 PHE 78 40.718 -1.340 5.386 503 HB3 PHE 78 HB1 PHE 78 41.833 -0.401 6.374 504 HD1 PHE 78 HD1 PHE 78 40.944 -1.356 2.912 505 HD2 PHE 78 HD2 PHE 78 43.503 1.062 5.337 506 HE1 PHE 78 HE1 PHE 78 41.632 -0.083 0.922 507 HE2 PHE 78 HE2 PHE 78 44.180 2.334 3.344 508 HZ PHE 78 HZ PHE 78 43.251 1.763 1.136 509 H ASN 79 HN ASN 79 43.846 -4.140 6.986 510 HA ASN 79 HA ASN 79 41.678 -4.969 8.800 511 HB2 ASN 79 HB2 ASN 79 44.387 -6.212 8.130 512 HB3 ASN 79 HB1 ASN 79 43.361 -6.813 9.427 513 HD21 ASN 79 HD21 ASN 79 43.089 -8.824 8.508 514 HD22 ASN 79 HD22 ASN 79 42.159 -9.096 7.081 515 H GLU 80 HN GLU 80 41.558 -3.683 10.528 516 HA GLU 80 HA GLU 80 43.761 -2.047 11.364 517 HB2 GLU 80 HB2 GLU 80 40.999 -2.314 12.624 518 HB3 GLU 80 HB1 GLU 80 42.171 -1.032 12.944 519 HG2 GLU 80 HG2 GLU 80 40.570 -1.530 10.419 520 HG3 GLU 80 HG1 GLU 80 40.536 -0.123 11.476 521 H GLY 81 HN GLY 81 45.338 -2.837 12.610 522 HA2 GLY 81 HA2 GLY 81 45.065 -4.887 14.596 523 HA3 GLY 81 HA1 GLY 81 46.438 -3.810 14.379 524 H ARG 82 HN ARG 82 43.208 -4.064 15.739 525 HA ARG 82 HA ARG 82 42.071 -3.100 17.403 526 HB2 ARG 82 HB2 ARG 82 44.732 -2.006 18.388 527 HB3 ARG 82 HB1 ARG 82 43.221 -1.988 19.300 528 HG2 ARG 82 HG2 ARG 82 43.196 -4.409 19.418 529 HG3 ARG 82 HG1 ARG 82 44.597 -4.526 18.349 530 HD2 ARG 82 HD2 ARG 82 45.262 -4.878 20.671 531 HD3 ARG 82 HD1 ARG 82 45.985 -3.392 20.047 532 HE ARG 82 HE ARG 82 43.705 -3.564 21.932 533 HH11 ARG 82 HH11 ARG 82 46.283 -1.626 20.493 534 HH12 ARG 82 HH12 ARG 82 46.171 -0.386 21.701 535 HH21 ARG 82 HH21 ARG 82 43.573 -1.911 23.480 536 HH22 ARG 82 HH22 ARG 82 44.648 -0.550 23.389 537 H GLY 83 HN GLY 83 40.756 -1.731 16.346 538 HA2 GLY 83 HA2 GLY 83 41.693 0.840 15.320 539 HA3 GLY 83 HA1 GLY 83 40.097 0.140 15.107 Start of MODEL 4 1 H1 SER 11 HT1 SER 11 13.803 14.533 -3.362 2 H2 SER 11 HT2 SER 11 15.245 13.889 -3.960 3 H3 SER 11 HT3 SER 11 14.020 14.346 -5.029 4 HA SER 11 HA SER 11 15.503 16.158 -3.242 5 HB2 SER 11 HB2 SER 11 16.919 15.237 -5.067 6 HB3 SER 11 HB1 SER 11 15.754 15.818 -6.257 7 HG SER 11 HG SER 11 17.761 17.143 -5.413 8 H ALA 12 HN ALA 12 13.525 17.053 -2.535 9 HA ALA 12 HA ALA 12 12.231 18.909 -4.456 10 HB1 ALA 12 HB1 ALA 12 10.707 17.619 -2.990 11 HB2 ALA 12 HB2 ALA 12 10.607 19.345 -2.638 12 HB3 ALA 12 HB3 ALA 12 11.511 18.273 -1.562 13 H GLU 13 HN GLU 13 14.835 18.691 -2.398 14 HA GLU 13 HA GLU 13 15.008 20.936 -0.802 15 HB2 GLU 13 HB2 GLU 13 16.579 19.011 -0.750 16 HB3 GLU 13 HB1 GLU 13 17.229 19.480 -2.311 17 HG2 GLU 13 HG2 GLU 13 18.776 20.113 -0.581 18 HG3 GLU 13 HG1 GLU 13 18.106 21.572 -1.313 19 H CYS 14 HN CYS 14 16.597 20.587 -3.990 20 HA CYS 14 HA CYS 14 16.660 23.497 -4.369 21 HB2 CYS 14 HB2 CYS 14 18.129 22.883 -6.333 22 HB3 CYS 14 HB1 CYS 14 18.755 22.357 -4.773 23 HG CYS 14 HG CYS 14 17.034 20.251 -6.841 24 H TRP 15 HN TRP 15 14.808 24.288 -5.184 25 HA TRP 15 HA TRP 15 12.956 22.912 -6.832 26 HB2 TRP 15 HB2 TRP 15 13.338 25.888 -6.310 27 HB3 TRP 15 HB1 TRP 15 12.024 25.245 -7.292 28 HD1 TRP 15 HD1 TRP 15 13.123 25.611 -3.643 29 HE1 TRP 15 HE1 TRP 15 11.171 24.919 -2.123 30 HE3 TRP 15 HE3 TRP 15 9.973 23.638 -7.175 31 HZ2 TRP 15 HZ2 TRP 15 8.641 23.695 -2.360 32 HZ3 TRP 15 HZ3 TRP 15 7.803 22.724 -6.440 33 HH2 TRP 15 HH2 TRP 15 7.150 22.751 -4.081 34 H ALA 16 HN ALA 16 13.947 21.995 -8.491 35 HA ALA 16 HA ALA 16 14.438 23.323 -10.929 36 HB1 ALA 16 HB1 ALA 16 16.886 22.869 -11.151 37 HB2 ALA 16 HB2 ALA 16 16.936 22.372 -9.456 38 HB3 ALA 16 HB3 ALA 16 16.548 24.042 -9.873 39 H ALA 17 HN ALA 17 15.233 20.565 -8.844 40 HA ALA 17 HA ALA 17 15.124 18.444 -10.691 41 HB1 ALA 17 HB1 ALA 17 14.358 18.453 -7.748 42 HB2 ALA 17 HB2 ALA 17 15.980 18.186 -8.395 43 HB3 ALA 17 HB3 ALA 17 14.694 17.017 -8.721 44 H LEU 18 HN LEU 18 13.331 16.831 -10.901 45 HA LEU 18 HA LEU 18 11.374 16.303 -11.868 46 HB2 LEU 18 HB2 LEU 18 10.203 18.529 -10.161 47 HB3 LEU 18 HB1 LEU 18 9.237 17.607 -11.298 48 HG LEU 18 HG LEU 18 9.809 15.512 -9.992 49 HD11 LEU 18 HD11 LEU 18 11.836 16.253 -8.855 50 HD12 LEU 18 HD12 LEU 18 10.632 15.695 -7.695 51 HD13 LEU 18 HD13 LEU 18 10.905 17.427 -7.922 52 HD21 LEU 18 HD21 LEU 18 7.645 16.649 -9.719 53 HD22 LEU 18 HD22 LEU 18 8.323 17.663 -8.443 54 HD23 LEU 18 HD23 LEU 18 8.181 15.919 -8.206 55 H LEU 19 HN LEU 19 9.737 17.132 -13.498 56 HA LEU 19 HA LEU 19 11.119 18.477 -15.573 57 HB2 LEU 19 HB2 LEU 19 9.395 16.750 -15.996 58 HB3 LEU 19 HB1 LEU 19 8.155 17.800 -15.326 59 HG LEU 19 HG LEU 19 8.504 19.402 -17.208 60 HD11 LEU 19 HD11 LEU 19 10.834 18.961 -17.745 61 HD12 LEU 19 HD12 LEU 19 9.832 18.748 -19.178 62 HD13 LEU 19 HD13 LEU 19 10.434 17.335 -18.305 63 HD21 LEU 19 HD21 LEU 19 7.878 16.571 -18.113 64 HD22 LEU 19 HD22 LEU 19 7.438 18.054 -18.966 65 HD23 LEU 19 HD23 LEU 19 6.739 17.709 -17.386 66 H HIS 20 HN HIS 20 11.651 20.571 -15.382 67 HA HIS 20 HA HIS 20 9.540 22.590 -15.009 68 HB2 HIS 20 HB2 HIS 20 12.157 22.493 -13.438 69 HB3 HIS 20 HB1 HIS 20 11.173 23.949 -13.577 70 HD1 HIS 20 HD1 HIS 20 11.577 20.961 -11.554 71 HD2 HIS 20 HD2 HIS 20 8.486 23.590 -12.450 72 HE1 HIS 20 HE1 HIS 20 9.837 20.578 -9.786 73 HE2 HIS 20 HE2 HIS 20 7.895 22.025 -10.481 74 H ASP 21 HN ASP 21 9.662 22.868 -17.273 75 HA ASP 21 HA ASP 21 10.144 24.123 -19.097 76 HB2 ASP 21 HB2 ASP 21 12.190 25.489 -17.277 77 HB3 ASP 21 HB1 ASP 21 11.716 26.080 -18.863 78 HA PRO 22 HA PRO 22 13.689 22.238 -21.310 79 HB2 PRO 22 HB2 PRO 22 14.931 24.331 -22.674 80 HB3 PRO 22 HB1 PRO 22 13.462 23.517 -23.227 81 HG2 PRO 22 HG2 PRO 22 13.732 26.090 -21.669 82 HG3 PRO 22 HG1 PRO 22 12.714 25.745 -23.086 83 HD2 PRO 22 HD2 PRO 22 11.632 25.735 -20.648 84 HD3 PRO 22 HD1 PRO 22 11.156 24.491 -21.824 85 H MET 23 HN MET 23 14.265 24.952 -19.200 86 HA MET 23 HA MET 23 17.014 24.039 -18.578 87 HB2 MET 23 HB2 MET 23 15.603 26.678 -17.970 88 HB3 MET 23 HB1 MET 23 17.202 26.257 -17.364 89 HG2 MET 23 HG2 MET 23 18.048 26.132 -19.668 90 HG3 MET 23 HG1 MET 23 16.441 26.539 -20.282 91 HE1 MET 23 HE1 MET 23 19.279 28.134 -20.907 92 HE2 MET 23 HE2 MET 23 18.642 29.779 -20.939 93 HE3 MET 23 HE3 MET 23 17.739 28.465 -21.697 94 H THR 24 HN THR 24 15.649 22.168 -17.679 95 HA THR 24 HA THR 24 14.533 22.526 -15.028 96 HB THR 24 HB THR 24 13.711 20.684 -16.490 97 HG1 THR 24 HG1 THR 24 14.226 20.520 -13.945 98 HG21 THR 24 HG21 THR 24 16.448 19.432 -16.095 99 HG22 THR 24 HG22 THR 24 15.807 20.045 -17.621 100 HG23 THR 24 HG23 THR 24 15.059 18.645 -16.846 101 H LEU 25 HN LEU 25 17.614 21.777 -16.440 102 HA LEU 25 HA LEU 25 19.018 21.169 -14.007 103 HB2 LEU 25 HB2 LEU 25 19.620 20.427 -16.391 104 HB3 LEU 25 HB1 LEU 25 20.151 22.066 -16.693 105 HG LEU 25 HG LEU 25 21.386 20.287 -14.542 106 HD11 LEU 25 HD11 LEU 25 21.678 19.201 -16.714 107 HD12 LEU 25 HD12 LEU 25 23.211 19.817 -16.107 108 HD13 LEU 25 HD13 LEU 25 22.360 20.684 -17.389 109 HD21 LEU 25 HD21 LEU 25 22.450 22.816 -15.859 110 HD22 LEU 25 HD22 LEU 25 23.313 21.819 -14.683 111 HD23 LEU 25 HD23 LEU 25 21.852 22.673 -14.203 112 H ASP 26 HN ASP 26 19.868 22.632 -12.632 113 HA ASP 26 HA ASP 26 20.155 25.464 -13.455 114 HB2 ASP 26 HB2 ASP 26 18.190 25.175 -11.933 115 HB3 ASP 26 HB1 ASP 26 19.227 24.416 -10.736 116 H MET 27 HN MET 27 22.290 25.928 -13.457 117 HA MET 27 HA MET 27 24.306 24.171 -12.692 118 HB2 MET 27 HB2 MET 27 24.348 27.136 -13.301 119 HB3 MET 27 HB1 MET 27 25.828 26.278 -12.891 120 HG2 MET 27 HG2 MET 27 25.609 26.468 -15.290 121 HG3 MET 27 HG1 MET 27 25.505 24.779 -14.807 122 HE1 MET 27 HE1 MET 27 23.155 24.848 -17.920 123 HE2 MET 27 HE2 MET 27 24.549 24.083 -17.150 124 HE3 MET 27 HE3 MET 27 24.657 25.752 -17.713 125 H ASP 28 HN ASP 28 22.935 26.866 -10.858 126 HA ASP 28 HA ASP 28 24.831 26.920 -8.719 127 HB2 ASP 28 HB2 ASP 28 23.484 28.872 -9.185 128 HB3 ASP 28 HB1 ASP 28 21.989 27.955 -9.040 129 H ALA 29 HN ALA 29 21.726 25.301 -9.202 130 HA ALA 29 HA ALA 29 21.414 24.215 -6.587 131 HB1 ALA 29 HB1 ALA 29 19.525 24.489 -8.131 132 HB2 ALA 29 HB2 ALA 29 19.663 22.808 -7.610 133 HB3 ALA 29 HB3 ALA 29 20.218 23.288 -9.219 134 H VAL 30 HN VAL 30 22.621 22.860 -9.627 135 HA VAL 30 HA VAL 30 23.124 20.225 -8.731 136 HB VAL 30 HB VAL 30 24.368 21.703 -11.102 137 HG11 VAL 30 HG11 VAL 30 25.657 19.682 -10.535 138 HG12 VAL 30 HG12 VAL 30 24.796 19.466 -12.058 139 HG13 VAL 30 HG13 VAL 30 24.183 18.711 -10.584 140 HG21 VAL 30 HG21 VAL 30 22.625 20.635 -12.477 141 HG22 VAL 30 HG22 VAL 30 21.906 21.668 -11.242 142 HG23 VAL 30 HG23 VAL 30 21.906 19.914 -11.032 143 H LEU 31 HN LEU 31 25.112 23.142 -8.910 144 HA LEU 31 HA LEU 31 27.628 22.039 -8.198 145 HB2 LEU 31 HB2 LEU 31 27.376 24.265 -9.237 146 HB3 LEU 31 HB1 LEU 31 26.538 24.852 -7.813 147 HG LEU 31 HG LEU 31 28.633 24.584 -6.469 148 HD11 LEU 31 HD11 LEU 31 29.699 22.768 -7.685 149 HD12 LEU 31 HD12 LEU 31 30.776 24.162 -7.602 150 HD13 LEU 31 HD13 LEU 31 29.914 23.801 -9.102 151 HD21 LEU 31 HD21 LEU 31 29.858 26.473 -7.436 152 HD22 LEU 31 HD22 LEU 31 28.120 26.758 -7.511 153 HD23 LEU 31 HD23 LEU 31 28.999 26.276 -8.966 154 H SER 32 HN SER 32 25.103 23.646 -6.280 155 HA SER 32 HA SER 32 26.413 23.536 -3.774 156 HB2 SER 32 HB2 SER 32 24.554 25.090 -4.194 157 HB3 SER 32 HB1 SER 32 23.440 23.741 -4.414 158 HG SER 32 HG SER 32 23.580 23.276 -2.256 159 H ASP 33 HN ASP 33 24.134 21.343 -5.366 160 HA ASP 33 HA ASP 33 23.742 19.648 -3.076 161 HB2 ASP 33 HB2 ASP 33 22.045 20.050 -4.981 162 HB3 ASP 33 HB1 ASP 33 23.015 18.946 -5.954 163 H PHE 34 HN PHE 34 25.841 19.651 -5.907 164 HA PHE 34 HA PHE 34 26.947 17.059 -5.700 165 HB2 PHE 34 HB2 PHE 34 27.351 18.542 -7.653 166 HB3 PHE 34 HB1 PHE 34 28.290 19.636 -6.645 167 HD1 PHE 34 HD2 PHE 34 28.278 16.361 -8.340 168 HD2 PHE 34 HD1 PHE 34 30.585 19.054 -5.962 169 HE1 PHE 34 HE2 PHE 34 30.308 15.092 -8.819 170 HE2 PHE 34 HE1 PHE 34 32.612 17.752 -6.469 171 HZ PHE 34 HZ PHE 34 32.467 15.766 -7.900 172 H VAL 35 HN VAL 35 28.206 20.161 -4.491 173 HA VAL 35 HA VAL 35 30.364 19.233 -2.959 174 HB VAL 35 HB VAL 35 28.692 21.780 -2.738 175 HG11 VAL 35 HG11 VAL 35 31.388 21.235 -1.456 176 HG12 VAL 35 HG12 VAL 35 29.859 21.473 -0.606 177 HG13 VAL 35 HG13 VAL 35 30.578 22.804 -1.517 178 HG21 VAL 35 HG21 VAL 35 29.848 21.490 -4.902 179 HG22 VAL 35 HG22 VAL 35 31.388 21.290 -4.061 180 HG23 VAL 35 HG23 VAL 35 30.536 22.836 -3.990 181 H ARG 36 HN ARG 36 26.985 19.628 -2.146 182 HA ARG 36 HA ARG 36 27.004 19.202 0.648 183 HB2 ARG 36 HB2 ARG 36 25.083 20.154 -0.494 184 HB3 ARG 36 HB1 ARG 36 24.918 18.735 -1.517 185 HG2 ARG 36 HG2 ARG 36 24.272 17.406 0.501 186 HG3 ARG 36 HG1 ARG 36 24.344 18.894 1.459 187 HD2 ARG 36 HD2 ARG 36 22.583 19.892 0.047 188 HD3 ARG 36 HD1 ARG 36 22.538 18.429 -0.948 189 HE ARG 36 HE ARG 36 21.976 18.155 1.922 190 HH11 ARG 36 HH11 ARG 36 20.677 18.206 -1.358 191 HH12 ARG 36 HH12 ARG 36 19.149 17.549 -0.874 192 HH21 ARG 36 HH21 ARG 36 19.985 17.259 2.516 193 HH22 ARG 36 HH22 ARG 36 18.751 17.018 1.318 194 H SER 37 HN SER 37 26.800 16.978 -2.103 195 HA SER 37 HA SER 37 26.320 14.624 -0.444 196 HB2 SER 37 HB2 SER 37 26.615 14.913 -3.468 197 HB3 SER 37 HB1 SER 37 26.107 13.446 -2.626 198 HG SER 37 HG SER 37 24.681 15.701 -3.236 199 H THR 38 HN THR 38 29.049 16.144 -2.008 200 HA THR 38 HA THR 38 30.655 13.648 -1.983 201 HB THR 38 HB THR 38 32.145 14.848 -3.593 202 HG1 THR 38 HG1 THR 38 30.415 16.811 -4.281 203 HG21 THR 38 HG21 THR 38 29.234 14.783 -4.461 204 HG22 THR 38 HG22 THR 38 30.347 13.413 -4.489 205 HG23 THR 38 HG23 THR 38 30.634 14.803 -5.537 206 H GLY 39 HN GLY 39 30.453 16.885 -0.665 207 HA2 GLY 39 HA2 GLY 39 31.752 18.039 0.843 208 HA3 GLY 39 HA1 GLY 39 32.690 16.576 1.110 209 H ALA 40 HN ALA 40 32.289 17.869 -2.094 210 HA ALA 40 HA ALA 40 35.099 18.158 -2.578 211 HB1 ALA 40 HB1 ALA 40 33.506 17.441 -4.331 212 HB2 ALA 40 HB2 ALA 40 34.412 18.871 -4.829 213 HB3 ALA 40 HB3 ALA 40 32.739 19.031 -4.285 214 H GLU 41 HN GLU 41 36.098 20.132 -3.445 215 HA GLU 41 HA GLU 41 35.274 22.604 -2.107 216 HB2 GLU 41 HB2 GLU 41 37.404 23.460 -2.694 217 HB3 GLU 41 HB1 GLU 41 37.732 21.742 -2.480 218 HG2 GLU 41 HG2 GLU 41 37.403 21.550 -5.027 219 HG3 GLU 41 HG1 GLU 41 37.497 23.316 -5.049 220 HA PRO 42 HA PRO 42 32.654 24.190 -5.308 221 HB2 PRO 42 HB2 PRO 42 33.484 26.833 -5.650 222 HB3 PRO 42 HB1 PRO 42 32.525 26.265 -4.273 223 HG2 PRO 42 HG2 PRO 42 35.527 26.602 -4.477 224 HG3 PRO 42 HG1 PRO 42 34.439 27.166 -3.202 225 HD2 PRO 42 HD2 PRO 42 35.835 24.961 -2.808 226 HD3 PRO 42 HD1 PRO 42 34.120 24.988 -2.324 227 H GLY 43 HN GLY 43 36.091 24.949 -5.924 228 HA2 GLY 43 HA2 GLY 43 35.893 25.480 -8.707 229 HA3 GLY 43 HA1 GLY 43 37.360 25.069 -7.832 230 H LEU 44 HN LEU 44 37.018 22.585 -6.983 231 HA LEU 44 HA LEU 44 37.464 20.835 -9.129 232 HB2 LEU 44 HB2 LEU 44 38.229 20.345 -6.854 233 HB3 LEU 44 HB1 LEU 44 36.577 20.285 -6.270 234 HG LEU 44 HG LEU 44 36.203 18.218 -7.671 235 HD11 LEU 44 HD11 LEU 44 37.927 18.550 -9.367 236 HD12 LEU 44 HD12 LEU 44 38.124 16.998 -8.560 237 HD13 LEU 44 HD13 LEU 44 39.189 18.345 -8.148 238 HD21 LEU 44 HD21 LEU 44 36.719 18.030 -5.280 239 HD22 LEU 44 HD22 LEU 44 38.448 18.011 -5.639 240 HD23 LEU 44 HD23 LEU 44 37.415 16.687 -6.188 241 H ALA 45 HN ALA 45 34.600 21.453 -7.201 242 HA ALA 45 HA ALA 45 32.882 19.450 -8.085 243 HB1 ALA 45 HB1 ALA 45 32.486 20.833 -6.092 244 HB2 ALA 45 HB2 ALA 45 31.088 20.878 -7.171 245 HB3 ALA 45 HB3 ALA 45 32.207 22.246 -7.111 246 H ARG 46 HN ARG 46 32.975 22.843 -9.101 247 HA ARG 46 HA ARG 46 31.082 22.707 -11.175 248 HB2 ARG 46 HB2 ARG 46 31.475 24.832 -10.252 249 HB3 ARG 46 HB1 ARG 46 33.218 24.676 -10.332 250 HG2 ARG 46 HG2 ARG 46 31.733 24.834 -12.932 251 HG3 ARG 46 HG1 ARG 46 31.808 26.300 -11.954 252 HD2 ARG 46 HD2 ARG 46 34.293 26.115 -11.909 253 HD3 ARG 46 HD1 ARG 46 34.181 24.671 -12.930 254 HE ARG 46 HE ARG 46 33.600 26.002 -14.748 255 HH11 ARG 46 HH11 ARG 46 33.902 28.079 -11.927 256 HH12 ARG 46 HH12 ARG 46 34.072 29.521 -12.871 257 HH21 ARG 46 HH21 ARG 46 33.820 27.889 -15.956 258 HH22 ARG 46 HH22 ARG 46 34.027 29.412 -15.158 259 H ASP 47 HN ASP 47 34.585 22.262 -11.174 260 HA ASP 47 HA ASP 47 35.084 22.205 -13.964 261 HB2 ASP 47 HB2 ASP 47 36.864 22.388 -12.242 262 HB3 ASP 47 HB1 ASP 47 36.513 20.759 -11.684 263 H LEU 48 HN LEU 48 34.339 19.577 -11.668 264 HA LEU 48 HA LEU 48 34.504 17.411 -13.538 265 HB2 LEU 48 HB2 LEU 48 33.011 17.504 -10.879 266 HB3 LEU 48 HB1 LEU 48 33.332 16.038 -11.814 267 HG LEU 48 HG LEU 48 35.416 17.797 -10.448 268 HD11 LEU 48 HD11 LEU 48 35.792 15.879 -8.973 269 HD12 LEU 48 HD12 LEU 48 34.496 14.984 -9.775 270 HD13 LEU 48 HD13 LEU 48 34.127 16.450 -8.860 271 HD21 LEU 48 HD21 LEU 48 37.067 16.114 -11.120 272 HD22 LEU 48 HD22 LEU 48 36.321 16.871 -12.527 273 HD23 LEU 48 HD23 LEU 48 35.831 15.245 -12.034 274 H LEU 49 HN LEU 49 31.904 19.435 -12.345 275 HA LEU 49 HA LEU 49 29.706 18.104 -13.499 276 HB2 LEU 49 HB2 LEU 49 30.119 20.974 -12.613 277 HB3 LEU 49 HB1 LEU 49 28.582 20.410 -13.257 278 HG LEU 49 HG LEU 49 29.924 19.170 -10.813 279 HD11 LEU 49 HD11 LEU 49 28.305 20.361 -9.425 280 HD12 LEU 49 HD12 LEU 49 27.684 21.212 -10.843 281 HD13 LEU 49 HD13 LEU 49 29.342 21.487 -10.299 282 HD21 LEU 49 HD21 LEU 49 27.112 18.862 -11.925 283 HD22 LEU 49 HD22 LEU 49 27.715 18.151 -10.422 284 HD23 LEU 49 HD23 LEU 49 28.398 17.651 -11.965 285 H GLU 50 HN GLU 50 31.717 20.824 -14.754 286 HA GLU 50 HA GLU 50 30.333 21.243 -17.170 287 HB2 GLU 50 HB2 GLU 50 33.284 21.656 -16.548 288 HB3 GLU 50 HB1 GLU 50 32.506 22.218 -18.027 289 HG2 GLU 50 HG2 GLU 50 30.991 23.628 -16.649 290 HG3 GLU 50 HG1 GLU 50 31.857 23.114 -15.203 291 H GLY 51 HN GLY 51 32.862 18.905 -16.362 292 HA2 GLY 51 HA2 GLY 51 33.314 17.828 -18.956 293 HA3 GLY 51 HA1 GLY 51 33.660 17.036 -17.423 294 H LYS 52 HN LYS 52 30.866 17.248 -16.526 295 HA LYS 52 HA LYS 52 29.782 14.895 -17.936 296 HB2 LYS 52 HB2 LYS 52 29.069 16.039 -15.198 297 HB3 LYS 52 HB1 LYS 52 28.450 14.534 -15.884 298 HG2 LYS 52 HG2 LYS 52 31.311 15.130 -15.067 299 HG3 LYS 52 HG1 LYS 52 30.173 14.053 -14.253 300 HD2 LYS 52 HD2 LYS 52 30.195 12.535 -16.179 301 HD3 LYS 52 HD1 LYS 52 31.247 13.641 -17.071 302 HE2 LYS 52 HE2 LYS 52 31.955 12.129 -14.538 303 HE3 LYS 52 HE1 LYS 52 32.559 11.813 -16.161 304 HZ1 LYS 52 HZ1 LYS 52 34.188 13.039 -14.911 305 HZ2 LYS 52 HZ2 LYS 52 33.073 14.250 -14.540 306 HZ3 LYS 52 HZ3 LYS 52 33.587 14.038 -16.137 307 H ASN 53 HN ASN 53 29.428 17.959 -18.573 308 HA ASN 53 HA ASN 53 27.851 19.365 -19.428 309 HB2 ASN 53 HB2 ASN 53 26.297 16.766 -19.795 310 HB3 ASN 53 HB1 ASN 53 25.786 18.309 -20.470 311 HD21 ASN 53 HD21 ASN 53 25.910 17.470 -22.584 312 HD22 ASN 53 HD22 ASN 53 27.427 17.201 -23.365 313 H TRP 54 HN TRP 54 27.972 19.119 -16.720 314 HA TRP 54 HA TRP 54 27.133 19.588 -14.709 315 HB2 TRP 54 HB2 TRP 54 25.156 21.071 -16.464 316 HB3 TRP 54 HB1 TRP 54 25.129 21.185 -14.711 317 HD1 TRP 54 HD1 TRP 54 27.328 22.188 -17.719 318 HE1 TRP 54 HE1 TRP 54 28.937 24.045 -16.950 319 HE3 TRP 54 HE3 TRP 54 26.272 22.139 -12.726 320 HZ2 TRP 54 HZ2 TRP 54 29.658 25.312 -14.542 321 HZ3 TRP 54 HZ3 TRP 54 27.462 23.699 -11.239 322 HH2 TRP 54 HH2 TRP 54 29.131 25.258 -12.131 323 H ASP 55 HN ASP 55 26.177 17.100 -16.094 324 HA ASP 55 HA ASP 55 23.690 16.468 -14.768 325 HB2 ASP 55 HB2 ASP 55 25.747 14.729 -16.200 326 HB3 ASP 55 HB1 ASP 55 24.329 14.056 -15.400 327 H LEU 56 HN LEU 56 23.501 16.094 -12.713 328 HA LEU 56 HA LEU 56 25.575 16.332 -10.827 329 HB2 LEU 56 HB2 LEU 56 23.241 17.018 -10.401 330 HB3 LEU 56 HB1 LEU 56 22.705 15.352 -10.543 331 HG LEU 56 HG LEU 56 24.090 14.813 -8.481 332 HD11 LEU 56 HD11 LEU 56 24.756 16.665 -6.997 333 HD12 LEU 56 HD12 LEU 56 24.329 17.834 -8.252 334 HD13 LEU 56 HD13 LEU 56 25.651 16.692 -8.516 335 HD21 LEU 56 HD21 LEU 56 21.660 15.095 -8.356 336 HD22 LEU 56 HD22 LEU 56 21.855 16.834 -8.117 337 HD23 LEU 56 HD23 LEU 56 22.442 15.703 -6.895 338 H THR 57 HN THR 57 23.502 13.554 -11.624 339 HA THR 57 HA THR 57 24.423 11.663 -9.831 340 HB THR 57 HB THR 57 23.390 11.042 -12.632 341 HG1 THR 57 HG1 THR 57 21.664 11.314 -10.433 342 HG21 THR 57 HG21 THR 57 22.356 9.079 -11.555 343 HG22 THR 57 HG22 THR 57 23.063 9.540 -10.007 344 HG23 THR 57 HG23 THR 57 24.111 9.052 -11.342 345 H ALA 58 HN ALA 58 25.499 12.234 -13.157 346 HA ALA 58 HA ALA 58 27.428 10.221 -13.433 347 HB1 ALA 58 HB1 ALA 58 27.306 12.956 -14.749 348 HB2 ALA 58 HB2 ALA 58 26.524 11.488 -15.335 349 HB3 ALA 58 HB3 ALA 58 28.284 11.589 -15.308 350 H ALA 59 HN ALA 59 27.783 13.636 -12.440 351 HA ALA 59 HA ALA 59 30.615 13.549 -12.166 352 HB1 ALA 59 HB1 ALA 59 29.399 15.630 -12.607 353 HB2 ALA 59 HB2 ALA 59 30.395 15.769 -11.155 354 HB3 ALA 59 HB3 ALA 59 28.647 15.541 -11.014 355 H LEU 60 HN LEU 60 27.966 12.973 -9.877 356 HA LEU 60 HA LEU 60 29.405 12.953 -7.439 357 HB2 LEU 60 HB2 LEU 60 26.956 11.327 -8.255 358 HB3 LEU 60 HB1 LEU 60 27.552 11.458 -6.606 359 HG LEU 60 HG LEU 60 26.471 13.787 -8.247 360 HD11 LEU 60 HD11 LEU 60 24.685 12.211 -7.722 361 HD12 LEU 60 HD12 LEU 60 24.501 13.691 -6.785 362 HD13 LEU 60 HD13 LEU 60 25.132 12.233 -6.012 363 HD21 LEU 60 HD21 LEU 60 26.483 15.039 -6.138 364 HD22 LEU 60 HD22 LEU 60 28.108 14.527 -6.585 365 HD23 LEU 60 HD23 LEU 60 27.233 13.668 -5.313 366 H SER 61 HN SER 61 28.613 10.430 -9.772 367 HA SER 61 HA SER 61 29.914 8.237 -8.514 368 HB2 SER 61 HB2 SER 61 29.081 8.684 -11.417 369 HB3 SER 61 HB1 SER 61 29.539 7.117 -10.721 370 HG SER 61 HG SER 61 27.556 8.550 -9.392 371 H ASP 62 HN ASP 62 30.975 10.727 -10.734 372 HA ASP 62 HA ASP 62 33.435 9.531 -11.589 373 HB2 ASP 62 HB2 ASP 62 32.303 11.323 -12.882 374 HB3 ASP 62 HB1 ASP 62 32.559 12.453 -11.555 375 H TYR 63 HN TYR 63 32.574 11.963 -9.171 376 HA TYR 63 HA TYR 63 35.054 12.709 -8.180 377 HB2 TYR 63 HB2 TYR 63 32.990 13.915 -7.657 378 HB3 TYR 63 HB1 TYR 63 32.365 12.537 -6.764 379 HD1 TYR 63 HD1 TYR 63 34.718 15.388 -6.660 380 HD2 TYR 63 HD2 TYR 63 33.193 12.043 -4.467 381 HE1 TYR 63 HE1 TYR 63 35.683 16.288 -4.584 382 HE2 TYR 63 HE2 TYR 63 34.152 12.962 -2.400 383 HH TYR 63 HH TYR 63 35.297 16.123 -2.136 384 H GLU 64 HN GLU 64 32.825 10.235 -6.925 385 HA GLU 64 HA GLU 64 34.519 9.423 -4.794 386 HB2 GLU 64 HB2 GLU 64 32.904 7.551 -4.492 387 HB3 GLU 64 HB1 GLU 64 32.108 9.116 -4.639 388 HG2 GLU 64 HG2 GLU 64 31.613 8.584 -7.031 389 HG3 GLU 64 HG1 GLU 64 32.316 6.982 -6.788 390 H GLN 65 HN GLN 65 34.143 8.305 -8.137 391 HA GLN 65 HA GLN 65 35.711 5.938 -7.891 392 HB2 GLN 65 HB2 GLN 65 34.142 6.377 -9.782 393 HB3 GLN 65 HB1 GLN 65 35.201 7.653 -10.361 394 HG2 GLN 65 HG2 GLN 65 35.497 5.649 -11.690 395 HG3 GLN 65 HG1 GLN 65 36.974 5.987 -10.791 396 HE21 GLN 65 HE21 GLN 65 34.217 3.848 -11.087 397 HE22 GLN 65 HE22 GLN 65 34.850 2.572 -10.112 398 H LEU 66 HN LEU 66 36.555 9.319 -8.790 399 HA LEU 66 HA LEU 66 39.281 8.678 -9.455 400 HB2 LEU 66 HB2 LEU 66 39.623 11.067 -9.835 401 HB3 LEU 66 HB1 LEU 66 38.144 10.516 -10.588 402 HG LEU 66 HG LEU 66 36.987 11.528 -8.423 403 HD11 LEU 66 HD11 LEU 66 39.536 13.155 -8.444 404 HD12 LEU 66 HD12 LEU 66 38.983 12.079 -7.155 405 HD13 LEU 66 HD13 LEU 66 38.065 13.532 -7.538 406 HD21 LEU 66 HD21 LEU 66 36.699 13.695 -9.554 407 HD22 LEU 66 HD22 LEU 66 36.553 12.343 -10.673 408 HD23 LEU 66 HD23 LEU 66 38.035 13.301 -10.645 409 H ARG 67 HN ARG 67 37.649 9.559 -6.515 410 HA ARG 67 HA ARG 67 40.143 10.162 -5.111 411 HB2 ARG 67 HB2 ARG 67 37.256 10.112 -4.182 412 HB3 ARG 67 HB1 ARG 67 38.605 10.289 -3.058 413 HG2 ARG 67 HG2 ARG 67 39.314 12.292 -4.581 414 HG3 ARG 67 HG1 ARG 67 37.655 12.207 -5.188 415 HD2 ARG 67 HD2 ARG 67 37.905 13.846 -3.346 416 HD3 ARG 67 HD1 ARG 67 36.789 12.545 -2.922 417 HE ARG 67 HE ARG 67 39.399 11.891 -2.073 418 HH11 ARG 67 HH11 ARG 67 36.810 14.095 -1.160 419 HH12 ARG 67 HH12 ARG 67 37.278 14.108 0.508 420 HH21 ARG 67 HH21 ARG 67 39.973 11.900 0.067 421 HH22 ARG 67 HH22 ARG 67 39.072 12.851 1.202 422 H GLN 68 HN GLN 68 37.907 7.463 -5.467 423 HA GLN 68 HA GLN 68 39.008 5.820 -3.403 424 HB2 GLN 68 HB2 GLN 68 36.754 5.464 -4.381 425 HB3 GLN 68 HB1 GLN 68 37.477 5.119 -5.950 426 HG2 GLN 68 HG2 GLN 68 38.626 3.123 -4.824 427 HG3 GLN 68 HG1 GLN 68 37.578 3.426 -3.435 428 HE21 GLN 68 HE21 GLN 68 35.278 3.245 -3.743 429 HE22 GLN 68 HE22 GLN 68 34.636 2.289 -5.020 430 H VAL 69 HN VAL 69 39.214 5.576 -6.946 431 HA VAL 69 HA VAL 69 40.412 4.286 -8.332 432 HB VAL 69 HB VAL 69 42.824 5.434 -6.866 433 HG11 VAL 69 HG11 VAL 69 43.948 5.216 -9.073 434 HG12 VAL 69 HG12 VAL 69 42.501 4.444 -9.730 435 HG13 VAL 69 HG13 VAL 69 43.425 3.648 -8.450 436 HG21 VAL 69 HG21 VAL 69 41.278 7.254 -7.481 437 HG22 VAL 69 HG22 VAL 69 41.218 6.660 -9.145 438 HG23 VAL 69 HG23 VAL 69 42.728 7.299 -8.488 439 H HIS 70 HN HIS 70 40.282 2.177 -8.224 440 HA HIS 70 HA HIS 70 39.948 0.675 -6.007 441 HB2 HIS 70 HB2 HIS 70 40.898 -0.331 -8.721 442 HB3 HIS 70 HB1 HIS 70 40.215 -1.358 -7.468 443 HD1 HIS 70 HD1 HIS 70 39.270 0.866 -10.239 444 HD2 HIS 70 HD2 HIS 70 37.397 -0.866 -6.953 445 HE1 HIS 70 HE1 HIS 70 36.807 1.066 -10.689 446 HE2 HIS 70 HE2 HIS 70 35.689 -0.041 -8.725 447 H THR 71 HN THR 71 43.081 1.078 -7.630 448 HA THR 71 HA THR 71 44.440 0.054 -5.232 449 HB THR 71 HB THR 71 44.421 -1.940 -6.585 450 HG1 THR 71 HG1 THR 71 46.574 -0.923 -5.713 451 HG21 THR 71 HG21 THR 71 45.548 -0.316 -8.900 452 HG22 THR 71 HG22 THR 71 43.927 -1.016 -8.814 453 HG23 THR 71 HG23 THR 71 45.344 -2.067 -8.876 454 H ALA 72 HN ALA 72 44.743 1.701 -8.393 455 HA ALA 72 HA ALA 72 46.195 3.178 -9.299 456 HB1 ALA 72 HB1 ALA 72 45.373 4.637 -7.468 457 HB2 ALA 72 HB2 ALA 72 47.041 5.002 -7.906 458 HB3 ALA 72 HB3 ALA 72 46.695 4.077 -6.441 459 H ASN 73 HN ASN 73 48.628 4.142 -8.885 460 HA ASN 73 HA ASN 73 50.397 1.854 -8.252 461 HB2 ASN 73 HB2 ASN 73 50.589 3.003 -10.533 462 HB3 ASN 73 HB1 ASN 73 51.176 4.432 -9.690 463 HD21 ASN 73 HD21 ASN 73 51.859 1.097 -10.521 464 HD22 ASN 73 HD22 ASN 73 53.557 1.142 -10.202 465 H LEU 74 HN LEU 74 49.395 5.004 -7.209 466 HA LEU 74 HA LEU 74 51.521 5.658 -5.428 467 HB2 LEU 74 HB2 LEU 74 48.577 6.476 -5.415 468 HB3 LEU 74 HB1 LEU 74 49.803 7.192 -4.379 469 HG LEU 74 HG LEU 74 49.791 7.353 -7.425 470 HD11 LEU 74 HD11 LEU 74 49.088 9.496 -5.387 471 HD12 LEU 74 HD12 LEU 74 47.954 8.657 -6.451 472 HD13 LEU 74 HD13 LEU 74 49.185 9.710 -7.140 473 HD21 LEU 74 HD21 LEU 74 52.068 7.425 -6.492 474 HD22 LEU 74 HD22 LEU 74 51.602 8.748 -5.420 475 HD23 LEU 74 HD23 LEU 74 51.605 8.984 -7.170 476 HA PRO 75 HA PRO 75 50.931 2.606 -2.149 477 HB2 PRO 75 HB2 PRO 75 51.733 4.903 -0.344 478 HB3 PRO 75 HB1 PRO 75 52.362 3.247 -0.405 479 HG2 PRO 75 HG2 PRO 75 53.772 5.216 -1.478 480 HG3 PRO 75 HG1 PRO 75 53.633 3.669 -2.342 481 HD2 PRO 75 HD2 PRO 75 52.177 6.269 -2.859 482 HD3 PRO 75 HD1 PRO 75 52.885 5.121 -4.021 483 H HIS 76 HN HIS 76 49.014 1.989 -1.462 484 HA HIS 76 HA HIS 76 47.207 3.816 0.039 485 HB2 HIS 76 HB2 HIS 76 46.550 1.604 -1.957 486 HB3 HIS 76 HB1 HIS 76 45.372 2.107 -0.753 487 HD1 HIS 76 HD1 HIS 76 47.177 3.388 -3.814 488 HD2 HIS 76 HD2 HIS 76 44.011 4.438 -1.336 489 HE1 HIS 76 HE1 HIS 76 46.039 5.313 -4.958 490 HE2 HIS 76 HE2 HIS 76 44.166 5.976 -3.409 491 H VAL 77 HN VAL 77 45.841 2.678 1.636 492 HA VAL 77 HA VAL 77 47.182 0.716 3.223 493 HB VAL 77 HB VAL 77 45.000 0.601 4.515 494 HG11 VAL 77 HG11 VAL 77 46.725 2.236 5.156 495 HG12 VAL 77 HG12 VAL 77 45.116 2.912 5.411 496 HG13 VAL 77 HG13 VAL 77 46.071 3.410 4.011 497 HG21 VAL 77 HG21 VAL 77 43.409 1.022 2.677 498 HG22 VAL 77 HG22 VAL 77 44.037 2.660 2.481 499 HG23 VAL 77 HG23 VAL 77 43.184 2.215 3.961 500 H PHE 78 HN PHE 78 46.870 -1.506 3.344 501 HA PHE 78 HA PHE 78 45.908 -2.921 1.052 502 HB2 PHE 78 HB2 PHE 78 47.781 -3.782 2.404 503 HB3 PHE 78 HB1 PHE 78 46.740 -3.929 3.812 504 HD1 PHE 78 HD2 PHE 78 47.402 -5.314 0.411 505 HD2 PHE 78 HD1 PHE 78 45.383 -5.910 4.134 506 HE1 PHE 78 HE2 PHE 78 46.851 -7.619 -0.248 507 HE2 PHE 78 HE1 PHE 78 44.838 -8.215 3.461 508 HZ PHE 78 HZ PHE 78 45.571 -9.069 1.271 509 H ASN 79 HN ASN 79 44.759 -2.713 4.412 510 HA ASN 79 HA ASN 79 42.195 -3.912 3.876 511 HB2 ASN 79 HB2 ASN 79 43.191 -4.059 6.120 512 HB3 ASN 79 HB1 ASN 79 43.202 -2.306 6.274 513 HD21 ASN 79 HD21 ASN 79 41.199 -1.220 6.599 514 HD22 ASN 79 HD22 ASN 79 39.802 -2.056 7.171 515 H GLU 80 HN GLU 80 41.030 -2.846 2.407 516 HA GLU 80 HA GLU 80 40.850 -0.147 1.818 517 HB2 GLU 80 HB2 GLU 80 38.596 -0.765 0.789 518 HB3 GLU 80 HB1 GLU 80 39.957 -1.761 0.278 519 HG2 GLU 80 HG2 GLU 80 39.247 -3.501 1.937 520 HG3 GLU 80 HG1 GLU 80 37.829 -2.518 2.317 521 H GLY 81 HN GLY 81 39.767 1.592 2.654 522 HA2 GLY 81 HA2 GLY 81 37.571 1.457 4.468 523 HA3 GLY 81 HA1 GLY 81 39.079 1.743 5.336 524 H ARG 82 HN ARG 82 37.154 3.596 5.529 525 HA ARG 82 HA ARG 82 38.343 5.994 4.480 526 HB2 ARG 82 HB2 ARG 82 36.348 6.834 3.264 527 HB3 ARG 82 HB1 ARG 82 37.025 5.405 2.492 528 HG2 ARG 82 HG2 ARG 82 35.230 4.008 3.405 529 HG3 ARG 82 HG1 ARG 82 34.601 5.378 4.323 530 HD2 ARG 82 HD2 ARG 82 34.064 6.554 2.213 531 HD3 ARG 82 HD1 ARG 82 34.691 5.183 1.291 532 HE ARG 82 HE ARG 82 32.792 3.971 1.782 533 HH11 ARG 82 HH11 ARG 82 32.734 6.926 3.705 534 HH12 ARG 82 HH12 ARG 82 31.074 6.735 4.160 535 HH21 ARG 82 HH21 ARG 82 30.625 3.739 2.393 536 HH22 ARG 82 HH22 ARG 82 29.887 4.923 3.418 537 H GLY 83 HN GLY 83 35.839 4.355 6.293 538 HA2 GLY 83 HA2 GLY 83 35.006 4.857 8.401 539 HA3 GLY 83 HA1 GLY 83 35.736 6.452 8.315 Start of MODEL 5 1 H1 SER 11 HT1 SER 11 21.472 32.160 6.711 2 H2 SER 11 HT2 SER 11 22.697 31.085 6.262 3 H3 SER 11 HT3 SER 11 22.384 31.380 7.897 4 HA SER 11 HA SER 11 21.534 29.240 7.119 5 HB2 SER 11 HB2 SER 11 19.440 31.268 8.019 6 HB3 SER 11 HB1 SER 11 19.313 29.514 8.196 7 HG SER 11 HG SER 11 20.065 30.468 10.116 8 H ALA 12 HN ALA 12 21.563 28.734 4.947 9 HA ALA 12 HA ALA 12 19.409 29.776 3.172 10 HB1 ALA 12 HB1 ALA 12 21.705 30.305 2.399 11 HB2 ALA 12 HB2 ALA 12 20.905 29.191 1.291 12 HB3 ALA 12 HB3 ALA 12 22.115 28.587 2.424 13 H GLU 13 HN GLU 13 19.228 27.988 1.269 14 HA GLU 13 HA GLU 13 18.375 26.060 0.525 15 HB2 GLU 13 HB2 GLU 13 20.075 24.879 2.746 16 HB3 GLU 13 HB1 GLU 13 19.226 23.904 1.549 17 HG2 GLU 13 HG2 GLU 13 20.558 24.836 -0.248 18 HG3 GLU 13 HG1 GLU 13 21.321 25.989 0.850 19 H CYS 14 HN CYS 14 16.229 26.471 0.912 20 HA CYS 14 HA CYS 14 14.932 25.656 3.407 21 HB2 CYS 14 HB2 CYS 14 13.795 26.877 0.857 22 HB3 CYS 14 HB1 CYS 14 12.915 26.665 2.372 23 HG CYS 14 HG CYS 14 13.668 29.369 1.867 24 H TRP 15 HN TRP 15 16.142 23.774 1.279 25 HA TRP 15 HA TRP 15 13.883 22.417 0.054 26 HB2 TRP 15 HB2 TRP 15 16.776 21.476 -0.053 27 HB3 TRP 15 HB1 TRP 15 15.495 21.223 -1.233 28 HD1 TRP 15 HD1 TRP 15 18.438 23.356 -0.592 29 HE1 TRP 15 HE1 TRP 15 18.516 25.342 -2.216 30 HE3 TRP 15 HE3 TRP 15 13.685 23.053 -2.500 31 HZ2 TRP 15 HZ2 TRP 15 16.810 26.628 -4.044 32 HZ3 TRP 15 HZ3 TRP 15 12.993 24.707 -4.191 33 HH2 TRP 15 HH2 TRP 15 14.526 26.458 -4.948 34 H ALA 16 HN ALA 16 12.717 21.272 1.597 35 HA ALA 16 HA ALA 16 13.840 19.562 3.576 36 HB1 ALA 16 HB1 ALA 16 11.605 18.500 3.681 37 HB2 ALA 16 HB2 ALA 16 11.125 19.355 2.212 38 HB3 ALA 16 HB3 ALA 16 11.483 20.260 3.683 39 H ALA 17 HN ALA 17 12.844 19.083 0.235 40 HA ALA 17 HA ALA 17 14.741 16.917 -0.134 41 HB1 ALA 17 HB1 ALA 17 12.732 15.708 0.611 42 HB2 ALA 17 HB2 ALA 17 13.077 15.365 -1.085 43 HB3 ALA 17 HB3 ALA 17 11.776 16.481 -0.656 44 H LEU 18 HN LEU 18 15.802 18.306 -1.595 45 HA LEU 18 HA LEU 18 14.441 18.809 -4.167 46 HB2 LEU 18 HB2 LEU 18 15.878 20.643 -3.124 47 HB3 LEU 18 HB1 LEU 18 17.282 19.640 -3.415 48 HG LEU 18 HG LEU 18 15.478 20.579 -5.700 49 HD11 LEU 18 HD11 LEU 18 17.045 22.423 -6.122 50 HD12 LEU 18 HD12 LEU 18 17.926 22.024 -4.646 51 HD13 LEU 18 HD13 LEU 18 16.258 22.589 -4.552 52 HD21 LEU 18 HD21 LEU 18 16.990 18.731 -6.300 53 HD22 LEU 18 HD22 LEU 18 18.379 19.650 -5.718 54 HD23 LEU 18 HD23 LEU 18 17.471 20.215 -7.122 55 H LEU 19 HN LEU 19 14.481 17.151 -5.531 56 HA LEU 19 HA LEU 19 16.982 15.621 -5.909 57 HB2 LEU 19 HB2 LEU 19 15.155 14.298 -4.755 58 HB3 LEU 19 HB1 LEU 19 14.163 14.504 -6.186 59 HG LEU 19 HG LEU 19 15.759 13.171 -7.519 60 HD11 LEU 19 HD11 LEU 19 17.847 13.758 -6.410 61 HD12 LEU 19 HD12 LEU 19 17.651 12.008 -6.465 62 HD13 LEU 19 HD13 LEU 19 17.355 12.880 -4.957 63 HD21 LEU 19 HD21 LEU 19 14.940 11.768 -4.954 64 HD22 LEU 19 HD22 LEU 19 15.370 10.981 -6.475 65 HD23 LEU 19 HD23 LEU 19 13.932 11.994 -6.386 66 H HIS 20 HN HIS 20 14.485 17.542 -7.246 67 HA HIS 20 HA HIS 20 15.823 17.470 -9.862 68 HB2 HIS 20 HB2 HIS 20 13.590 16.207 -9.952 69 HB3 HIS 20 HB1 HIS 20 12.790 17.720 -9.552 70 HD1 HIS 20 HD1 HIS 20 13.910 15.734 -12.366 71 HD2 HIS 20 HD2 HIS 20 13.190 19.772 -11.665 72 HE1 HIS 20 HE1 HIS 20 13.759 16.799 -14.640 73 HE2 HIS 20 HE2 HIS 20 13.490 19.257 -14.188 74 H ASP 21 HN ASP 21 15.970 19.534 -10.805 75 HA ASP 21 HA ASP 21 16.158 21.691 -8.913 76 HB2 ASP 21 HB2 ASP 21 17.391 22.802 -10.621 77 HB3 ASP 21 HB1 ASP 21 17.795 21.104 -10.809 78 HA PRO 22 HA PRO 22 12.491 24.249 -9.668 79 HB2 PRO 22 HB2 PRO 22 14.267 26.381 -10.865 80 HB3 PRO 22 HB1 PRO 22 12.997 26.526 -9.637 81 HG2 PRO 22 HG2 PRO 22 15.541 26.531 -8.888 82 HG3 PRO 22 HG1 PRO 22 14.349 25.610 -7.944 83 HD2 PRO 22 HD2 PRO 22 16.392 24.609 -9.924 84 HD3 PRO 22 HD1 PRO 22 15.877 23.896 -8.378 85 H MET 23 HN MET 23 14.603 23.822 -12.537 86 HA MET 23 HA MET 23 12.194 24.034 -14.259 87 HB2 MET 23 HB2 MET 23 14.892 25.268 -14.930 88 HB3 MET 23 HB1 MET 23 13.534 25.161 -16.038 89 HG2 MET 23 HG2 MET 23 12.218 26.596 -14.448 90 HG3 MET 23 HG1 MET 23 13.694 26.808 -13.504 91 HE1 MET 23 HE1 MET 23 15.960 27.892 -14.591 92 HE2 MET 23 HE2 MET 23 16.002 28.623 -16.196 93 HE3 MET 23 HE3 MET 23 15.851 26.875 -16.028 94 H THR 24 HN THR 24 15.603 23.430 -15.208 95 HA THR 24 HA THR 24 14.935 20.716 -16.126 96 HB THR 24 HB THR 24 15.890 22.909 -18.028 97 HG1 THR 24 HG1 THR 24 13.412 21.736 -17.484 98 HG21 THR 24 HG21 THR 24 15.307 19.975 -18.595 99 HG22 THR 24 HG22 THR 24 16.900 20.736 -18.640 100 HG23 THR 24 HG23 THR 24 15.668 21.203 -19.813 101 H LEU 25 HN LEU 25 17.352 23.302 -15.920 102 HA LEU 25 HA LEU 25 19.181 21.544 -14.541 103 HB2 LEU 25 HB2 LEU 25 19.876 21.165 -16.897 104 HB3 LEU 25 HB1 LEU 25 20.063 22.896 -17.131 105 HG LEU 25 HG LEU 25 21.870 22.882 -15.352 106 HD11 LEU 25 HD11 LEU 25 21.234 20.863 -14.146 107 HD12 LEU 25 HD12 LEU 25 22.906 20.777 -14.688 108 HD13 LEU 25 HD13 LEU 25 21.659 19.868 -15.544 109 HD21 LEU 25 HD21 LEU 25 22.499 21.090 -17.714 110 HD22 LEU 25 HD22 LEU 25 23.629 22.075 -16.770 111 HD23 LEU 25 HD23 LEU 25 22.411 22.855 -17.770 112 H ASP 26 HN ASP 26 19.140 22.811 -12.784 113 HA ASP 26 HA ASP 26 19.859 25.653 -12.976 114 HB2 ASP 26 HB2 ASP 26 17.952 24.779 -11.431 115 HB3 ASP 26 HB1 ASP 26 19.223 24.123 -10.416 116 H MET 27 HN MET 27 22.010 25.623 -13.488 117 HA MET 27 HA MET 27 23.974 23.810 -12.776 118 HB2 MET 27 HB2 MET 27 24.182 26.759 -13.430 119 HB3 MET 27 HB1 MET 27 25.608 25.781 -13.129 120 HG2 MET 27 HG2 MET 27 25.375 25.949 -15.460 121 HG3 MET 27 HG1 MET 27 24.886 24.311 -15.033 122 HE1 MET 27 HE1 MET 27 24.055 24.470 -17.679 123 HE2 MET 27 HE2 MET 27 24.364 26.206 -17.738 124 HE3 MET 27 HE3 MET 27 22.781 25.574 -18.203 125 H ASP 28 HN ASP 28 22.802 26.587 -10.938 126 HA ASP 28 HA ASP 28 24.852 26.637 -8.948 127 HB2 ASP 28 HB2 ASP 28 23.505 28.624 -9.429 128 HB3 ASP 28 HB1 ASP 28 22.031 27.781 -8.966 129 H ALA 29 HN ALA 29 21.620 25.112 -9.096 130 HA ALA 29 HA ALA 29 21.615 24.145 -6.390 131 HB1 ALA 29 HB1 ALA 29 19.970 23.193 -8.768 132 HB2 ALA 29 HB2 ALA 29 19.529 24.492 -7.660 133 HB3 ALA 29 HB3 ALA 29 19.644 22.836 -7.068 134 H VAL 30 HN VAL 30 22.560 22.768 -9.498 135 HA VAL 30 HA VAL 30 23.179 20.118 -8.646 136 HB VAL 30 HB VAL 30 24.221 21.721 -11.036 137 HG11 VAL 30 HG11 VAL 30 25.724 19.829 -10.582 138 HG12 VAL 30 HG12 VAL 30 24.804 19.543 -12.060 139 HG13 VAL 30 HG13 VAL 30 24.351 18.720 -10.567 140 HG21 VAL 30 HG21 VAL 30 21.934 19.718 -10.883 141 HG22 VAL 30 HG22 VAL 30 22.518 20.501 -12.354 142 HG23 VAL 30 HG23 VAL 30 21.772 21.465 -11.080 143 H LEU 31 HN LEU 31 25.048 23.096 -8.971 144 HA LEU 31 HA LEU 31 27.610 22.159 -8.216 145 HB2 LEU 31 HB2 LEU 31 27.149 24.361 -9.328 146 HB3 LEU 31 HB1 LEU 31 26.394 24.930 -7.852 147 HG LEU 31 HG LEU 31 28.630 24.691 -6.682 148 HD11 LEU 31 HD11 LEU 31 29.679 24.187 -9.477 149 HD12 LEU 31 HD12 LEU 31 29.645 23.026 -8.146 150 HD13 LEU 31 HD13 LEU 31 30.655 24.464 -8.031 151 HD21 LEU 31 HD21 LEU 31 28.610 26.563 -9.077 152 HD22 LEU 31 HD22 LEU 31 29.625 26.724 -7.640 153 HD23 LEU 31 HD23 LEU 31 27.875 26.885 -7.504 154 H SER 32 HN SER 32 24.852 23.411 -6.392 155 HA SER 32 HA SER 32 26.087 23.665 -3.854 156 HB2 SER 32 HB2 SER 32 23.933 24.782 -4.513 157 HB3 SER 32 HB1 SER 32 23.132 23.212 -4.465 158 HG SER 32 HG SER 32 23.139 23.265 -2.333 159 H ASP 33 HN ASP 33 23.984 21.139 -5.250 160 HA ASP 33 HA ASP 33 23.932 19.470 -2.960 161 HB2 ASP 33 HB2 ASP 33 22.176 19.353 -4.735 162 HB3 ASP 33 HB1 ASP 33 23.357 18.690 -5.860 163 H PHE 34 HN PHE 34 26.011 19.496 -5.862 164 HA PHE 34 HA PHE 34 27.345 17.052 -5.429 165 HB2 PHE 34 HB2 PHE 34 27.548 18.333 -7.551 166 HB3 PHE 34 HB1 PHE 34 28.478 19.579 -6.722 167 HD1 PHE 34 HD1 PHE 34 28.558 16.138 -8.058 168 HD2 PHE 34 HD2 PHE 34 30.806 19.164 -6.055 169 HE1 PHE 34 HE1 PHE 34 30.628 14.887 -8.457 170 HE2 PHE 34 HE2 PHE 34 32.872 17.912 -6.478 171 HZ PHE 34 HZ PHE 34 32.781 15.779 -7.672 172 H VAL 35 HN VAL 35 28.358 20.349 -4.479 173 HA VAL 35 HA VAL 35 30.658 19.714 -2.982 174 HB VAL 35 HB VAL 35 28.725 22.069 -2.853 175 HG11 VAL 35 HG11 VAL 35 31.420 21.895 -1.456 176 HG12 VAL 35 HG12 VAL 35 29.847 21.983 -0.664 177 HG13 VAL 35 HG13 VAL 35 30.434 23.351 -1.611 178 HG21 VAL 35 HG21 VAL 35 31.487 21.784 -4.090 179 HG22 VAL 35 HG22 VAL 35 30.504 23.253 -4.106 180 HG23 VAL 35 HG23 VAL 35 29.955 21.811 -4.967 181 H ARG 36 HN ARG 36 27.303 19.867 -2.104 182 HA ARG 36 HA ARG 36 27.499 19.565 0.714 183 HB2 ARG 36 HB2 ARG 36 25.564 20.622 -0.032 184 HB3 ARG 36 HB1 ARG 36 25.350 19.532 -1.390 185 HG2 ARG 36 HG2 ARG 36 24.529 17.789 0.166 186 HG3 ARG 36 HG1 ARG 36 24.704 18.929 1.503 187 HD2 ARG 36 HD2 ARG 36 22.997 20.357 0.660 188 HD3 ARG 36 HD1 ARG 36 23.028 19.591 -0.933 189 HE ARG 36 HE ARG 36 22.225 17.535 0.464 190 HH11 ARG 36 HH11 ARG 36 21.204 20.867 0.960 191 HH12 ARG 36 HH12 ARG 36 19.600 20.418 1.435 192 HH21 ARG 36 HH21 ARG 36 20.132 16.969 1.056 193 HH22 ARG 36 HH22 ARG 36 18.990 18.200 1.492 194 H SER 37 HN SER 37 27.298 17.249 -1.953 195 HA SER 37 HA SER 37 26.689 14.979 -0.209 196 HB2 SER 37 HB2 SER 37 27.168 15.103 -3.224 197 HB3 SER 37 HB1 SER 37 26.643 13.669 -2.339 198 HG SER 37 HG SER 37 25.154 15.678 -3.296 199 H THR 38 HN THR 38 29.331 15.938 -2.404 200 HA THR 38 HA THR 38 30.975 13.643 -1.745 201 HB THR 38 HB THR 38 32.545 14.565 -3.433 202 HG1 THR 38 HG1 THR 38 30.827 16.561 -4.281 203 HG21 THR 38 HG21 THR 38 29.661 14.557 -4.401 204 HG22 THR 38 HG22 THR 38 30.701 13.138 -4.248 205 HG23 THR 38 HG23 THR 38 31.090 14.395 -5.424 206 H GLY 39 HN GLY 39 30.774 17.023 -0.860 207 HA2 GLY 39 HA2 GLY 39 31.892 18.145 0.834 208 HA3 GLY 39 HA1 GLY 39 32.951 16.763 1.066 209 H ALA 40 HN ALA 40 32.770 17.671 -2.194 210 HA ALA 40 HA ALA 40 35.474 18.639 -2.307 211 HB1 ALA 40 HB1 ALA 40 33.352 18.502 -4.484 212 HB2 ALA 40 HB2 ALA 40 34.523 17.241 -4.100 213 HB3 ALA 40 HB3 ALA 40 35.077 18.789 -4.743 214 H GLU 41 HN GLU 41 35.991 20.720 -3.555 215 HA GLU 41 HA GLU 41 34.641 22.943 -2.229 216 HB2 GLU 41 HB2 GLU 41 36.524 24.260 -2.736 217 HB3 GLU 41 HB1 GLU 41 37.245 22.662 -2.585 218 HG2 GLU 41 HG2 GLU 41 37.259 22.436 -5.033 219 HG3 GLU 41 HG1 GLU 41 36.499 24.022 -5.186 220 HA PRO 42 HA PRO 42 31.956 24.287 -5.603 221 HB2 PRO 42 HB2 PRO 42 32.573 27.022 -5.817 222 HB3 PRO 42 HB1 PRO 42 31.473 26.326 -4.620 223 HG2 PRO 42 HG2 PRO 42 34.413 26.963 -4.345 224 HG3 PRO 42 HG1 PRO 42 33.090 27.345 -3.228 225 HD2 PRO 42 HD2 PRO 42 34.659 25.294 -2.694 226 HD3 PRO 42 HD1 PRO 42 32.899 25.084 -2.501 227 H GLY 43 HN GLY 43 35.346 25.397 -5.886 228 HA2 GLY 43 HA2 GLY 43 35.357 25.938 -8.675 229 HA3 GLY 43 HA1 GLY 43 36.771 25.616 -7.676 230 H LEU 44 HN LEU 44 36.452 23.094 -6.860 231 HA LEU 44 HA LEU 44 37.243 21.470 -9.043 232 HB2 LEU 44 HB2 LEU 44 38.009 21.056 -6.726 233 HB3 LEU 44 HB1 LEU 44 36.365 20.696 -6.231 234 HG LEU 44 HG LEU 44 36.392 18.672 -7.733 235 HD11 LEU 44 HD11 LEU 44 38.525 17.850 -8.619 236 HD12 LEU 44 HD12 LEU 44 39.319 19.342 -8.109 237 HD13 LEU 44 HD13 LEU 44 38.066 19.387 -9.353 238 HD21 LEU 44 HD21 LEU 44 38.588 18.737 -5.638 239 HD22 LEU 44 HD22 LEU 44 37.816 17.286 -6.287 240 HD23 LEU 44 HD23 LEU 44 36.873 18.435 -5.341 241 H ALA 45 HN ALA 45 34.266 21.824 -7.228 242 HA ALA 45 HA ALA 45 32.724 19.725 -8.236 243 HB1 ALA 45 HB1 ALA 45 31.826 22.468 -7.281 244 HB2 ALA 45 HB2 ALA 45 32.079 21.049 -6.264 245 HB3 ALA 45 HB3 ALA 45 30.783 21.048 -7.461 246 H ARG 46 HN ARG 46 32.799 23.142 -9.196 247 HA ARG 46 HA ARG 46 31.174 23.028 -11.450 248 HB2 ARG 46 HB2 ARG 46 31.637 25.156 -10.510 249 HB3 ARG 46 HB1 ARG 46 33.374 24.937 -10.587 250 HG2 ARG 46 HG2 ARG 46 31.835 25.053 -13.175 251 HG3 ARG 46 HG1 ARG 46 32.075 26.552 -12.279 252 HD2 ARG 46 HD2 ARG 46 34.467 26.359 -12.431 253 HD3 ARG 46 HD1 ARG 46 34.364 24.697 -13.029 254 HE ARG 46 HE ARG 46 33.046 26.528 -14.778 255 HH11 ARG 46 HH11 ARG 46 36.267 25.408 -13.888 256 HH12 ARG 46 HH12 ARG 46 36.932 25.699 -15.461 257 HH21 ARG 46 HH21 ARG 46 33.933 26.887 -16.834 258 HH22 ARG 46 HH22 ARG 46 35.607 26.543 -17.129 259 H ASP 47 HN ASP 47 34.674 22.528 -11.164 260 HA ASP 47 HA ASP 47 35.392 22.452 -13.878 261 HB2 ASP 47 HB2 ASP 47 37.072 22.556 -12.062 262 HB3 ASP 47 HB1 ASP 47 36.619 20.942 -11.525 263 H LEU 48 HN LEU 48 34.517 19.775 -11.690 264 HA LEU 48 HA LEU 48 34.672 17.672 -13.599 265 HB2 LEU 48 HB2 LEU 48 33.161 17.838 -10.956 266 HB3 LEU 48 HB1 LEU 48 33.330 16.360 -11.894 267 HG LEU 48 HG LEU 48 35.634 17.916 -10.646 268 HD11 LEU 48 HD11 LEU 48 34.386 15.293 -9.776 269 HD12 LEU 48 HD12 LEU 48 34.251 16.844 -8.943 270 HD13 LEU 48 HD13 LEU 48 35.819 16.051 -9.071 271 HD21 LEU 48 HD21 LEU 48 37.032 15.994 -11.262 272 HD22 LEU 48 HD22 LEU 48 36.336 16.756 -12.689 273 HD23 LEU 48 HD23 LEU 48 35.660 15.239 -12.082 274 H LEU 49 HN LEU 49 31.964 19.614 -12.363 275 HA LEU 49 HA LEU 49 29.876 18.338 -13.776 276 HB2 LEU 49 HB2 LEU 49 30.114 21.098 -12.537 277 HB3 LEU 49 HB1 LEU 49 28.629 20.543 -13.295 278 HG LEU 49 HG LEU 49 29.950 19.091 -10.965 279 HD11 LEU 49 HD11 LEU 49 27.643 21.055 -10.836 280 HD12 LEU 49 HD12 LEU 49 29.279 21.322 -10.226 281 HD13 LEU 49 HD13 LEU 49 28.263 20.077 -9.502 282 HD21 LEU 49 HD21 LEU 49 27.171 18.817 -12.162 283 HD22 LEU 49 HD22 LEU 49 27.785 17.951 -10.750 284 HD23 LEU 49 HD23 LEU 49 28.501 17.667 -12.332 285 H GLU 50 HN GLU 50 32.077 20.940 -14.776 286 HA GLU 50 HA GLU 50 30.767 21.679 -17.191 287 HB2 GLU 50 HB2 GLU 50 33.693 21.786 -16.348 288 HB3 GLU 50 HB1 GLU 50 33.142 22.411 -17.894 289 HG2 GLU 50 HG2 GLU 50 31.969 23.410 -15.288 290 HG3 GLU 50 HG1 GLU 50 33.475 24.057 -15.921 291 H GLY 51 HN GLY 51 33.055 19.141 -16.346 292 HA2 GLY 51 HA2 GLY 51 33.463 18.090 -18.982 293 HA3 GLY 51 HA1 GLY 51 33.910 17.332 -17.457 294 H LYS 52 HN LYS 52 31.049 17.495 -16.454 295 HA LYS 52 HA LYS 52 30.117 15.028 -17.791 296 HB2 LYS 52 HB2 LYS 52 28.922 16.097 -15.206 297 HB3 LYS 52 HB1 LYS 52 28.928 14.446 -15.818 298 HG2 LYS 52 HG2 LYS 52 31.236 15.976 -14.625 299 HG3 LYS 52 HG1 LYS 52 30.414 14.589 -13.935 300 HD2 LYS 52 HD2 LYS 52 31.449 13.077 -15.448 301 HD3 LYS 52 HD1 LYS 52 31.916 14.366 -16.563 302 HE2 LYS 52 HE2 LYS 52 33.528 15.224 -14.883 303 HE3 LYS 52 HE1 LYS 52 33.068 13.922 -13.784 304 HZ1 LYS 52 HZ1 LYS 52 35.128 13.502 -15.035 305 HZ2 LYS 52 HZ2 LYS 52 34.240 13.485 -16.473 306 HZ3 LYS 52 HZ3 LYS 52 33.950 12.315 -15.283 307 H ASN 53 HN ASN 53 29.648 18.124 -18.352 308 HA ASN 53 HA ASN 53 28.104 19.456 -19.323 309 HB2 ASN 53 HB2 ASN 53 27.893 17.339 -20.773 310 HB3 ASN 53 HB1 ASN 53 26.458 16.934 -19.840 311 HD21 ASN 53 HD21 ASN 53 24.537 18.087 -20.232 312 HD22 ASN 53 HD22 ASN 53 24.369 19.195 -21.545 313 H TRP 54 HN TRP 54 27.965 18.676 -16.505 314 HA TRP 54 HA TRP 54 27.005 19.364 -14.622 315 HB2 TRP 54 HB2 TRP 54 24.997 20.711 -16.454 316 HB3 TRP 54 HB1 TRP 54 24.957 20.864 -14.702 317 HD1 TRP 54 HD1 TRP 54 26.997 22.007 -17.750 318 HE1 TRP 54 HE1 TRP 54 28.523 23.947 -17.026 319 HE3 TRP 54 HE3 TRP 54 26.189 21.852 -12.708 320 HZ2 TRP 54 HZ2 TRP 54 29.274 25.247 -14.669 321 HZ3 TRP 54 HZ3 TRP 54 27.354 23.482 -11.273 322 HH2 TRP 54 HH2 TRP 54 28.878 25.147 -12.233 323 H ASP 55 HN ASP 55 26.279 16.834 -16.073 324 HA ASP 55 HA ASP 55 23.809 16.016 -14.857 325 HB2 ASP 55 HB2 ASP 55 24.956 14.808 -16.813 326 HB3 ASP 55 HB1 ASP 55 26.104 14.170 -15.649 327 H LEU 56 HN LEU 56 23.642 16.177 -12.759 328 HA LEU 56 HA LEU 56 25.582 16.432 -10.804 329 HB2 LEU 56 HB2 LEU 56 23.235 17.082 -10.494 330 HB3 LEU 56 HB1 LEU 56 22.729 15.404 -10.594 331 HG LEU 56 HG LEU 56 23.954 14.942 -8.443 332 HD11 LEU 56 HD11 LEU 56 25.625 16.716 -8.498 333 HD12 LEU 56 HD12 LEU 56 24.661 16.840 -7.028 334 HD13 LEU 56 HD13 LEU 56 24.368 17.950 -8.370 335 HD21 LEU 56 HD21 LEU 56 21.813 17.091 -8.324 336 HD22 LEU 56 HD22 LEU 56 22.285 16.034 -6.990 337 HD23 LEU 56 HD23 LEU 56 21.552 15.346 -8.438 338 H THR 57 HN THR 57 23.697 13.538 -11.647 339 HA THR 57 HA THR 57 24.715 11.824 -9.659 340 HB THR 57 HB THR 57 23.422 11.082 -12.319 341 HG1 THR 57 HG1 THR 57 22.006 12.408 -11.246 342 HG21 THR 57 HG21 THR 57 22.668 9.053 -11.124 343 HG22 THR 57 HG22 THR 57 23.584 9.551 -9.701 344 HG23 THR 57 HG23 THR 57 24.432 9.137 -11.195 345 H ALA 58 HN ALA 58 25.673 12.337 -13.039 346 HA ALA 58 HA ALA 58 27.525 10.191 -13.275 347 HB1 ALA 58 HB1 ALA 58 27.410 12.792 -14.848 348 HB2 ALA 58 HB2 ALA 58 26.530 11.312 -15.235 349 HB3 ALA 58 HB3 ALA 58 28.291 11.329 -15.317 350 H ALA 59 HN ALA 59 27.804 13.543 -12.228 351 HA ALA 59 HA ALA 59 30.668 13.629 -12.054 352 HB1 ALA 59 HB1 ALA 59 30.322 15.739 -10.851 353 HB2 ALA 59 HB2 ALA 59 28.594 15.394 -10.716 354 HB3 ALA 59 HB3 ALA 59 29.320 15.667 -12.302 355 H LEU 60 HN LEU 60 28.041 12.981 -9.739 356 HA LEU 60 HA LEU 60 29.552 12.719 -7.367 357 HB2 LEU 60 HB2 LEU 60 26.983 11.319 -8.205 358 HB3 LEU 60 HB1 LEU 60 27.619 11.298 -6.567 359 HG LEU 60 HG LEU 60 26.672 13.788 -8.045 360 HD11 LEU 60 HD11 LEU 60 25.286 12.229 -5.845 361 HD12 LEU 60 HD12 LEU 60 24.800 12.313 -7.542 362 HD13 LEU 60 HD13 LEU 60 24.741 13.761 -6.540 363 HD21 LEU 60 HD21 LEU 60 26.847 14.930 -5.885 364 HD22 LEU 60 HD22 LEU 60 28.412 14.322 -6.415 365 HD23 LEU 60 HD23 LEU 60 27.520 13.472 -5.150 366 H SER 61 HN SER 61 28.609 10.372 -9.849 367 HA SER 61 HA SER 61 29.780 8.057 -8.658 368 HB2 SER 61 HB2 SER 61 28.917 8.578 -11.535 369 HB3 SER 61 HB1 SER 61 29.321 6.988 -10.871 370 HG SER 61 HG SER 61 27.296 8.658 -9.788 371 H ASP 62 HN ASP 62 30.917 10.474 -10.947 372 HA ASP 62 HA ASP 62 33.317 9.203 -11.811 373 HB2 ASP 62 HB2 ASP 62 32.345 11.055 -13.088 374 HB3 ASP 62 HB1 ASP 62 32.501 12.136 -11.708 375 H TYR 63 HN TYR 63 32.635 11.653 -9.302 376 HA TYR 63 HA TYR 63 35.303 12.036 -8.468 377 HB2 TYR 63 HB2 TYR 63 33.499 13.681 -8.051 378 HB3 TYR 63 HB1 TYR 63 32.737 12.568 -6.918 379 HD1 TYR 63 HD1 TYR 63 35.815 14.632 -7.478 380 HD2 TYR 63 HD2 TYR 63 33.491 12.460 -4.625 381 HE1 TYR 63 HE1 TYR 63 37.189 15.540 -5.650 382 HE2 TYR 63 HE2 TYR 63 34.859 13.379 -2.813 383 HH TYR 63 HH TYR 63 36.996 15.966 -3.234 384 H GLU 64 HN GLU 64 32.700 9.939 -7.183 385 HA GLU 64 HA GLU 64 34.223 8.931 -4.982 386 HB2 GLU 64 HB2 GLU 64 32.432 7.337 -4.629 387 HB3 GLU 64 HB1 GLU 64 31.705 8.876 -5.081 388 HG2 GLU 64 HG2 GLU 64 31.399 8.035 -7.388 389 HG3 GLU 64 HG1 GLU 64 32.088 6.486 -6.906 390 H GLN 65 HN GLN 65 34.029 8.093 -8.372 391 HA GLN 65 HA GLN 65 35.222 5.493 -8.188 392 HB2 GLN 65 HB2 GLN 65 33.841 6.311 -10.110 393 HB3 GLN 65 HB1 GLN 65 35.150 7.391 -10.567 394 HG2 GLN 65 HG2 GLN 65 36.593 5.494 -11.064 395 HG3 GLN 65 HG1 GLN 65 35.368 4.364 -10.477 396 HE21 GLN 65 HE21 GLN 65 33.452 4.068 -11.717 397 HE22 GLN 65 HE22 GLN 65 33.404 4.466 -13.395 398 H LEU 66 HN LEU 66 36.534 8.738 -8.983 399 HA LEU 66 HA LEU 66 39.252 7.823 -9.168 400 HB2 LEU 66 HB2 LEU 66 39.871 10.197 -9.354 401 HB3 LEU 66 HB1 LEU 66 38.568 9.766 -10.436 402 HG LEU 66 HG LEU 66 37.027 10.811 -8.541 403 HD11 LEU 66 HD11 LEU 66 38.744 11.199 -6.854 404 HD12 LEU 66 HD12 LEU 66 38.015 12.718 -7.367 405 HD13 LEU 66 HD13 LEU 66 39.618 12.267 -7.956 406 HD21 LEU 66 HD21 LEU 66 37.151 11.666 -10.818 407 HD22 LEU 66 HD22 LEU 66 38.633 12.546 -10.438 408 HD23 LEU 66 HD23 LEU 66 37.111 12.996 -9.661 409 H ARG 67 HN ARG 67 37.202 8.673 -6.541 410 HA ARG 67 HA ARG 67 39.365 8.950 -4.606 411 HB2 ARG 67 HB2 ARG 67 36.334 8.895 -4.371 412 HB3 ARG 67 HB1 ARG 67 37.354 8.800 -2.939 413 HG2 ARG 67 HG2 ARG 67 37.228 11.096 -4.922 414 HG3 ARG 67 HG1 ARG 67 36.645 11.087 -3.254 415 HD2 ARG 67 HD2 ARG 67 39.036 10.625 -2.537 416 HD3 ARG 67 HD1 ARG 67 39.516 10.937 -4.208 417 HE ARG 67 HE ARG 67 38.084 13.158 -3.433 418 HH11 ARG 67 HH11 ARG 67 41.022 11.553 -2.355 419 HH12 ARG 67 HH12 ARG 67 41.684 12.989 -1.645 420 HH21 ARG 67 HH21 ARG 67 38.982 15.032 -2.502 421 HH22 ARG 67 HH22 ARG 67 40.538 14.957 -1.735 422 H GLN 68 HN GLN 68 37.356 6.409 -5.908 423 HA GLN 68 HA GLN 68 37.379 4.537 -3.833 424 HB2 GLN 68 HB2 GLN 68 35.932 4.412 -5.879 425 HB3 GLN 68 HB1 GLN 68 37.342 3.981 -6.837 426 HG2 GLN 68 HG2 GLN 68 36.056 1.995 -6.355 427 HG3 GLN 68 HG1 GLN 68 37.588 1.906 -5.486 428 HE21 GLN 68 HE21 GLN 68 34.131 2.217 -5.192 429 HE22 GLN 68 HE22 GLN 68 34.053 1.988 -3.483 430 H VAL 69 HN VAL 69 39.404 4.491 -6.760 431 HA VAL 69 HA VAL 69 41.412 3.653 -7.291 432 HB VAL 69 HB VAL 69 42.259 4.581 -4.521 433 HG11 VAL 69 HG11 VAL 69 43.886 4.253 -7.076 434 HG12 VAL 69 HG12 VAL 69 43.989 3.227 -5.644 435 HG13 VAL 69 HG13 VAL 69 44.485 4.917 -5.553 436 HG21 VAL 69 HG21 VAL 69 42.093 6.198 -7.096 437 HG22 VAL 69 HG22 VAL 69 42.784 6.761 -5.573 438 HG23 VAL 69 HG23 VAL 69 41.060 6.397 -5.676 439 H HIS 70 HN HIS 70 40.961 1.498 -7.510 440 HA HIS 70 HA HIS 70 40.893 -0.436 -5.444 441 HB2 HIS 70 HB2 HIS 70 41.019 -2.123 -7.266 442 HB3 HIS 70 HB1 HIS 70 39.841 -0.865 -7.618 443 HD1 HIS 70 HD1 HIS 70 43.189 -2.173 -8.747 444 HD2 HIS 70 HD2 HIS 70 40.382 0.671 -9.908 445 HE1 HIS 70 HE1 HIS 70 43.923 -1.383 -11.017 446 HE2 HIS 70 HE2 HIS 70 42.320 0.454 -11.608 447 H THR 71 HN THR 71 43.512 1.087 -7.094 448 HA THR 71 HA THR 71 45.601 -0.791 -6.589 449 HB THR 71 HB THR 71 45.868 2.222 -7.007 450 HG1 THR 71 HG1 THR 71 45.822 0.222 -9.040 451 HG21 THR 71 HG21 THR 71 47.745 -0.061 -7.735 452 HG22 THR 71 HG22 THR 71 47.979 1.056 -6.388 453 HG23 THR 71 HG23 THR 71 48.026 1.655 -8.047 454 H ALA 72 HN ALA 72 44.169 1.871 -4.746 455 HA ALA 72 HA ALA 72 46.211 2.034 -2.716 456 HB1 ALA 72 HB1 ALA 72 43.356 3.100 -2.679 457 HB2 ALA 72 HB2 ALA 72 44.780 3.986 -3.229 458 HB3 ALA 72 HB3 ALA 72 44.634 3.525 -1.533 459 H ASN 73 HN ASN 73 42.779 1.135 -2.436 460 HA ASN 73 HA ASN 73 43.157 -1.391 -1.195 461 HB2 ASN 73 HB2 ASN 73 43.882 -0.009 0.746 462 HB3 ASN 73 HB1 ASN 73 42.391 0.920 0.666 463 HD21 ASN 73 HD21 ASN 73 41.784 0.357 2.801 464 HD22 ASN 73 HD22 ASN 73 41.262 -1.236 3.222 465 H LEU 74 HN LEU 74 41.258 -2.481 -1.279 466 HA LEU 74 HA LEU 74 38.934 -1.348 -2.520 467 HB2 LEU 74 HB2 LEU 74 37.977 -3.629 -2.238 468 HB3 LEU 74 HB1 LEU 74 39.565 -3.648 -2.966 469 HG LEU 74 HG LEU 74 40.321 -4.105 -0.408 470 HD11 LEU 74 HD11 LEU 74 37.555 -5.341 -0.470 471 HD12 LEU 74 HD12 LEU 74 38.079 -4.006 0.563 472 HD13 LEU 74 HD13 LEU 74 38.793 -5.603 0.763 473 HD21 LEU 74 HD21 LEU 74 39.285 -6.277 -2.250 474 HD22 LEU 74 HD22 LEU 74 40.424 -6.494 -0.917 475 HD23 LEU 74 HD23 LEU 74 40.882 -5.527 -2.317 476 HA PRO 75 HA PRO 75 36.740 -0.254 1.312 477 HB2 PRO 75 HB2 PRO 75 34.144 -0.232 0.480 478 HB3 PRO 75 HB1 PRO 75 35.298 1.014 -0.017 479 HG2 PRO 75 HG2 PRO 75 34.366 -1.422 -1.533 480 HG3 PRO 75 HG1 PRO 75 34.593 0.239 -2.120 481 HD2 PRO 75 HD2 PRO 75 36.443 -1.761 -2.513 482 HD3 PRO 75 HD1 PRO 75 36.885 -0.039 -2.401 483 H HIS 76 HN HIS 76 35.960 -1.388 3.054 484 HA HIS 76 HA HIS 76 35.476 -4.252 2.844 485 HB2 HIS 76 HB2 HIS 76 36.844 -3.239 4.704 486 HB3 HIS 76 HB1 HIS 76 35.404 -2.445 5.317 487 HD1 HIS 76 HD1 HIS 76 33.468 -4.156 6.174 488 HD2 HIS 76 HD2 HIS 76 37.279 -5.754 5.714 489 HE1 HIS 76 HE1 HIS 76 33.473 -6.284 7.509 490 HE2 HIS 76 HE2 HIS 76 35.823 -7.147 7.338 491 H VAL 77 HN VAL 77 33.622 -3.655 1.395 492 HA VAL 77 HA VAL 77 31.076 -3.490 2.874 493 HB VAL 77 HB VAL 77 31.650 -1.980 0.265 494 HG11 VAL 77 HG11 VAL 77 29.083 -2.063 1.910 495 HG12 VAL 77 HG12 VAL 77 29.321 -2.811 0.330 496 HG13 VAL 77 HG13 VAL 77 29.355 -1.054 0.489 497 HG21 VAL 77 HG21 VAL 77 32.682 -0.818 2.171 498 HG22 VAL 77 HG22 VAL 77 31.146 -0.844 3.041 499 HG23 VAL 77 HG23 VAL 77 31.302 0.101 1.560 500 H PHE 78 HN PHE 78 29.780 -5.135 2.286 501 HA PHE 78 HA PHE 78 30.564 -7.125 0.400 502 HB2 PHE 78 HB2 PHE 78 27.915 -6.755 1.871 503 HB3 PHE 78 HB1 PHE 78 28.386 -8.208 0.992 504 HD1 PHE 78 HD2 PHE 78 29.094 -6.138 3.991 505 HD2 PHE 78 HD1 PHE 78 29.954 -9.798 1.951 506 HE1 PHE 78 HE2 PHE 78 30.213 -7.004 6.004 507 HE2 PHE 78 HE1 PHE 78 31.069 -10.651 3.967 508 HZ PHE 78 HZ PHE 78 31.201 -9.260 5.991 509 H ASN 79 HN ASN 79 27.822 -4.830 0.505 510 HA ASN 79 HA ASN 79 26.481 -3.887 -1.039 511 HB2 ASN 79 HB2 ASN 79 28.669 -2.869 -1.733 512 HB3 ASN 79 HB1 ASN 79 28.877 -4.158 -2.910 513 HD21 ASN 79 HD21 ASN 79 27.167 -1.231 -2.133 514 HD22 ASN 79 HD22 ASN 79 26.462 -0.988 -3.691 515 H GLU 80 HN GLU 80 25.317 -5.972 -0.803 516 HA GLU 80 HA GLU 80 25.491 -7.862 -3.020 517 HB2 GLU 80 HB2 GLU 80 23.760 -7.933 -0.516 518 HB3 GLU 80 HB1 GLU 80 23.893 -9.225 -1.710 519 HG2 GLU 80 HG2 GLU 80 26.380 -9.300 -1.182 520 HG3 GLU 80 HG1 GLU 80 26.050 -8.215 0.170 521 H GLY 81 HN GLY 81 24.496 -7.283 -4.794 522 HA2 GLY 81 HA2 GLY 81 21.839 -7.181 -5.338 523 HA3 GLY 81 HA1 GLY 81 22.224 -5.507 -4.928 524 H ARG 82 HN ARG 82 24.308 -4.701 -5.998 525 HA ARG 82 HA ARG 82 24.204 -5.128 -8.878 526 HB2 ARG 82 HB2 ARG 82 24.459 -2.821 -8.006 527 HB3 ARG 82 HB1 ARG 82 25.956 -3.274 -7.191 528 HG2 ARG 82 HG2 ARG 82 27.012 -3.739 -9.377 529 HG3 ARG 82 HG1 ARG 82 25.515 -3.292 -10.199 530 HD2 ARG 82 HD2 ARG 82 25.727 -0.993 -9.351 531 HD3 ARG 82 HD1 ARG 82 27.200 -1.441 -8.480 532 HE ARG 82 HE ARG 82 27.455 -2.060 -11.236 533 HH11 ARG 82 HH11 ARG 82 27.510 0.726 -9.080 534 HH12 ARG 82 HH12 ARG 82 28.484 1.676 -10.155 535 HH21 ARG 82 HH21 ARG 82 28.732 -0.792 -12.626 536 HH22 ARG 82 HH22 ARG 82 29.178 0.817 -12.149 537 H GLY 83 HN GLY 83 25.198 -6.939 -9.574 538 HA2 GLY 83 HA2 GLY 83 27.794 -7.827 -8.430 539 HA3 GLY 83 HA1 GLY 83 26.676 -8.809 -9.368 Start of MODEL 6 1 H1 SER 11 HT1 SER 11 -2.366 35.138 -2.668 2 H2 SER 11 HT2 SER 11 -3.476 35.318 -1.405 3 H3 SER 11 HT3 SER 11 -3.003 36.662 -2.305 4 HA SER 11 HA SER 11 -5.208 35.908 -2.900 5 HB2 SER 11 HB2 SER 11 -3.168 35.511 -5.121 6 HB3 SER 11 HB1 SER 11 -4.852 36.004 -5.322 7 HG SER 11 HG SER 11 -2.957 37.630 -5.201 8 H ALA 12 HN ALA 12 -3.337 33.444 -2.015 9 HA ALA 12 HA ALA 12 -3.298 31.205 -2.028 10 HB1 ALA 12 HB1 ALA 12 -5.295 29.907 -2.641 11 HB2 ALA 12 HB2 ALA 12 -6.009 31.330 -3.405 12 HB3 ALA 12 HB3 ALA 12 -5.739 31.306 -1.662 13 H GLU 13 HN GLU 13 -2.237 29.733 -3.244 14 HA GLU 13 HA GLU 13 -1.498 30.329 -5.952 15 HB2 GLU 13 HB2 GLU 13 -0.900 27.919 -4.182 16 HB3 GLU 13 HB1 GLU 13 -0.207 28.152 -5.788 17 HG2 GLU 13 HG2 GLU 13 0.957 30.144 -5.070 18 HG3 GLU 13 HG1 GLU 13 0.143 30.121 -3.506 19 H CYS 14 HN CYS 14 -2.844 30.046 -7.562 20 HA CYS 14 HA CYS 14 -5.286 28.716 -7.509 21 HB2 CYS 14 HB2 CYS 14 -3.668 29.491 -9.968 22 HB3 CYS 14 HB1 CYS 14 -5.413 29.226 -9.910 23 HG CYS 14 HG CYS 14 -4.817 31.427 -7.642 24 H TRP 15 HN TRP 15 -2.139 27.591 -8.623 25 HA TRP 15 HA TRP 15 -3.017 25.155 -9.852 26 HB2 TRP 15 HB2 TRP 15 -0.258 25.960 -8.810 27 HB3 TRP 15 HB1 TRP 15 -0.584 24.564 -9.828 28 HD1 TRP 15 HD1 TRP 15 -1.043 25.023 -12.437 29 HE1 TRP 15 HE1 TRP 15 -0.535 27.042 -13.943 30 HE3 TRP 15 HE3 TRP 15 -0.212 28.558 -8.826 31 HZ2 TRP 15 HZ2 TRP 15 0.103 29.767 -13.662 32 HZ3 TRP 15 HZ3 TRP 15 0.334 30.852 -9.533 33 HH2 TRP 15 HH2 TRP 15 0.490 31.446 -11.902 34 H ALA 16 HN ALA 16 -0.932 25.538 -6.984 35 HA ALA 16 HA ALA 16 -2.493 24.231 -5.062 36 HB1 ALA 16 HB1 ALA 16 -0.367 22.412 -6.281 37 HB2 ALA 16 HB2 ALA 16 -2.111 22.175 -6.392 38 HB3 ALA 16 HB3 ALA 16 -1.310 22.066 -4.826 39 H ALA 17 HN ALA 17 0.954 23.923 -5.942 40 HA ALA 17 HA ALA 17 1.835 26.065 -4.232 41 HB1 ALA 17 HB1 ALA 17 1.573 24.288 -2.538 42 HB2 ALA 17 HB2 ALA 17 3.277 24.694 -2.768 43 HB3 ALA 17 HB3 ALA 17 2.613 23.222 -3.484 44 H LEU 18 HN LEU 18 3.040 26.984 -5.766 45 HA LEU 18 HA LEU 18 4.567 25.429 -7.692 46 HB2 LEU 18 HB2 LEU 18 5.017 27.534 -8.832 47 HB3 LEU 18 HB1 LEU 18 3.314 27.387 -8.478 48 HG LEU 18 HG LEU 18 3.924 28.941 -6.392 49 HD11 LEU 18 HD11 LEU 18 6.149 29.689 -8.315 50 HD12 LEU 18 HD12 LEU 18 6.347 29.005 -6.698 51 HD13 LEU 18 HD13 LEU 18 5.651 30.610 -6.891 52 HD21 LEU 18 HD21 LEU 18 2.339 29.542 -8.145 53 HD22 LEU 18 HD22 LEU 18 3.662 30.020 -9.211 54 HD23 LEU 18 HD23 LEU 18 3.351 30.925 -7.727 55 H LEU 19 HN LEU 19 6.872 26.120 -8.152 56 HA LEU 19 HA LEU 19 8.388 26.982 -5.765 57 HB2 LEU 19 HB2 LEU 19 10.116 25.286 -6.131 58 HB3 LEU 19 HB1 LEU 19 8.572 24.538 -5.784 59 HG LEU 19 HG LEU 19 9.614 24.772 -8.642 60 HD11 LEU 19 HD11 LEU 19 10.469 22.474 -8.461 61 HD12 LEU 19 HD12 LEU 19 10.089 22.453 -6.737 62 HD13 LEU 19 HD13 LEU 19 11.316 23.559 -7.359 63 HD21 LEU 19 HD21 LEU 19 7.216 24.271 -8.433 64 HD22 LEU 19 HD22 LEU 19 7.576 22.897 -7.384 65 HD23 LEU 19 HD23 LEU 19 8.091 22.879 -9.073 66 H HIS 20 HN HIS 20 7.602 27.585 -8.859 67 HA HIS 20 HA HIS 20 8.296 28.991 -10.459 68 HB2 HIS 20 HB2 HIS 20 9.096 30.364 -8.428 69 HB3 HIS 20 HB1 HIS 20 10.710 29.758 -8.776 70 HD1 HIS 20 HD1 HIS 20 11.821 30.646 -11.031 71 HD2 HIS 20 HD2 HIS 20 8.197 32.421 -10.034 72 HE1 HIS 20 HE1 HIS 20 11.694 32.744 -12.413 73 HE2 HIS 20 HE2 HIS 20 9.397 33.669 -11.941 74 H ASP 21 HN ASP 21 8.886 27.929 -12.222 75 HA ASP 21 HA ASP 21 10.099 27.043 -13.889 76 HB2 ASP 21 HB2 ASP 21 12.439 27.471 -12.005 77 HB3 ASP 21 HB1 ASP 21 12.656 26.538 -13.478 78 HA PRO 22 HA PRO 22 9.888 22.565 -13.331 79 HB2 PRO 22 HB2 PRO 22 12.177 22.420 -15.287 80 HB3 PRO 22 HB1 PRO 22 10.613 21.594 -15.331 81 HG2 PRO 22 HG2 PRO 22 11.075 23.661 -16.943 82 HG3 PRO 22 HG1 PRO 22 9.494 23.486 -16.152 83 HD2 PRO 22 HD2 PRO 22 11.787 25.311 -15.433 84 HD3 PRO 22 HD1 PRO 22 10.040 25.652 -15.451 85 H MET 23 HN MET 23 13.091 24.064 -13.494 86 HA MET 23 HA MET 23 15.013 23.903 -12.339 87 HB2 MET 23 HB2 MET 23 13.295 24.576 -10.527 88 HB3 MET 23 HB1 MET 23 13.372 22.911 -9.972 89 HG2 MET 23 HG2 MET 23 15.860 23.226 -9.661 90 HG3 MET 23 HG1 MET 23 15.621 24.938 -10.023 91 HE1 MET 23 HE1 MET 23 17.024 23.905 -7.330 92 HE2 MET 23 HE2 MET 23 16.244 24.932 -6.126 93 HE3 MET 23 HE3 MET 23 16.757 25.614 -7.671 94 H THR 24 HN THR 24 14.213 21.552 -13.864 95 HA THR 24 HA THR 24 14.864 19.140 -12.509 96 HB THR 24 HB THR 24 13.596 19.103 -14.627 97 HG1 THR 24 HG1 THR 24 16.060 17.747 -15.076 98 HG21 THR 24 HG21 THR 24 16.181 19.930 -15.999 99 HG22 THR 24 HG22 THR 24 14.731 20.924 -15.853 100 HG23 THR 24 HG23 THR 24 14.691 19.443 -16.811 101 H LEU 25 HN LEU 25 16.766 21.537 -14.229 102 HA LEU 25 HA LEU 25 19.160 20.668 -12.842 103 HB2 LEU 25 HB2 LEU 25 19.074 19.440 -15.102 104 HB3 LEU 25 HB1 LEU 25 19.263 21.002 -15.874 105 HG LEU 25 HG LEU 25 21.327 20.022 -13.861 106 HD11 LEU 25 HD11 LEU 25 21.119 18.209 -15.474 107 HD12 LEU 25 HD12 LEU 25 22.661 19.043 -15.647 108 HD13 LEU 25 HD13 LEU 25 21.366 19.336 -16.812 109 HD21 LEU 25 HD21 LEU 25 21.521 22.387 -14.516 110 HD22 LEU 25 HD22 LEU 25 21.607 21.931 -16.220 111 HD23 LEU 25 HD23 LEU 25 22.892 21.453 -15.109 112 H ASP 26 HN ASP 26 20.194 22.370 -12.180 113 HA ASP 26 HA ASP 26 20.209 24.934 -13.581 114 HB2 ASP 26 HB2 ASP 26 18.313 25.181 -12.005 115 HB3 ASP 26 HB1 ASP 26 19.297 24.569 -10.678 116 H MET 27 HN MET 27 22.314 25.631 -13.558 117 HA MET 27 HA MET 27 24.379 23.995 -12.713 118 HB2 MET 27 HB2 MET 27 24.394 26.938 -13.425 119 HB3 MET 27 HB1 MET 27 25.871 26.052 -13.067 120 HG2 MET 27 HG2 MET 27 25.588 26.165 -15.439 121 HG3 MET 27 HG1 MET 27 25.371 24.503 -14.919 122 HE1 MET 27 HE1 MET 27 23.016 24.742 -18.008 123 HE2 MET 27 HE2 MET 27 24.359 23.881 -17.251 124 HE3 MET 27 HE3 MET 27 24.573 25.546 -17.795 125 H ASP 28 HN ASP 28 23.041 26.826 -11.021 126 HA ASP 28 HA ASP 28 24.992 26.933 -8.931 127 HB2 ASP 28 HB2 ASP 28 23.616 28.882 -9.552 128 HB3 ASP 28 HB1 ASP 28 22.152 28.032 -9.080 129 H ALA 29 HN ALA 29 21.812 25.393 -9.244 130 HA ALA 29 HA ALA 29 21.550 24.512 -6.536 131 HB1 ALA 29 HB1 ALA 29 19.611 24.802 -8.023 132 HB2 ALA 29 HB2 ALA 29 19.669 23.162 -7.377 133 HB3 ALA 29 HB3 ALA 29 20.176 23.476 -9.041 134 H VAL 30 HN VAL 30 22.582 22.879 -9.517 135 HA VAL 30 HA VAL 30 23.046 20.305 -8.452 136 HB VAL 30 HB VAL 30 24.175 21.587 -10.990 137 HG11 VAL 30 HG11 VAL 30 24.577 19.279 -11.785 138 HG12 VAL 30 HG12 VAL 30 24.065 18.651 -10.220 139 HG13 VAL 30 HG13 VAL 30 25.524 19.636 -10.337 140 HG21 VAL 30 HG21 VAL 30 22.370 20.376 -12.174 141 HG22 VAL 30 HG22 VAL 30 21.713 21.521 -11.005 142 HG23 VAL 30 HG23 VAL 30 21.741 19.797 -10.627 143 H LEU 31 HN LEU 31 25.066 23.168 -8.883 144 HA LEU 31 HA LEU 31 27.587 22.101 -8.172 145 HB2 LEU 31 HB2 LEU 31 27.218 24.358 -9.232 146 HB3 LEU 31 HB1 LEU 31 26.579 24.939 -7.704 147 HG LEU 31 HG LEU 31 28.825 24.530 -6.642 148 HD11 LEU 31 HD11 LEU 31 29.630 22.759 -8.125 149 HD12 LEU 31 HD12 LEU 31 30.775 24.095 -8.052 150 HD13 LEU 31 HD13 LEU 31 29.733 23.906 -9.464 151 HD21 LEU 31 HD21 LEU 31 28.911 26.354 -9.065 152 HD22 LEU 31 HD22 LEU 31 29.981 26.437 -7.662 153 HD23 LEU 31 HD23 LEU 31 28.260 26.770 -7.477 154 H SER 32 HN SER 32 25.073 23.723 -6.256 155 HA SER 32 HA SER 32 26.352 23.621 -3.734 156 HB2 SER 32 HB2 SER 32 24.469 25.149 -4.298 157 HB3 SER 32 HB1 SER 32 23.376 23.769 -4.372 158 HG SER 32 HG SER 32 23.145 23.980 -2.314 159 H ASP 33 HN ASP 33 24.175 21.408 -5.396 160 HA ASP 33 HA ASP 33 23.581 19.662 -3.229 161 HB2 ASP 33 HB2 ASP 33 22.286 19.870 -5.451 162 HB3 ASP 33 HB1 ASP 33 23.554 18.910 -6.190 163 H PHE 34 HN PHE 34 25.883 19.507 -5.932 164 HA PHE 34 HA PHE 34 27.064 17.029 -5.391 165 HB2 PHE 34 HB2 PHE 34 27.346 18.216 -7.535 166 HB3 PHE 34 HB1 PHE 34 28.270 19.485 -6.738 167 HD1 PHE 34 HD2 PHE 34 28.344 15.959 -7.869 168 HD2 PHE 34 HD1 PHE 34 30.603 19.145 -6.155 169 HE1 PHE 34 HE2 PHE 34 30.421 14.714 -8.236 170 HE2 PHE 34 HE1 PHE 34 32.670 17.887 -6.542 171 HZ PHE 34 HZ PHE 34 32.579 15.675 -7.576 172 H VAL 35 HN VAL 35 28.202 20.303 -4.497 173 HA VAL 35 HA VAL 35 30.491 19.623 -3.032 174 HB VAL 35 HB VAL 35 28.629 22.027 -2.778 175 HG11 VAL 35 HG11 VAL 35 29.860 21.832 -0.653 176 HG12 VAL 35 HG12 VAL 35 30.452 23.212 -1.579 177 HG13 VAL 35 HG13 VAL 35 31.388 21.717 -1.529 178 HG21 VAL 35 HG21 VAL 35 29.738 21.811 -4.964 179 HG22 VAL 35 HG22 VAL 35 31.312 21.694 -4.174 180 HG23 VAL 35 HG23 VAL 35 30.389 23.198 -4.083 181 H ARG 36 HN ARG 36 27.133 19.807 -2.003 182 HA ARG 36 HA ARG 36 27.543 19.447 0.805 183 HB2 ARG 36 HB2 ARG 36 25.509 20.495 -0.124 184 HB3 ARG 36 HB1 ARG 36 25.080 18.987 -0.929 185 HG2 ARG 36 HG2 ARG 36 24.856 17.907 1.320 186 HG3 ARG 36 HG1 ARG 36 25.181 19.478 2.066 187 HD2 ARG 36 HD2 ARG 36 23.188 20.412 0.971 188 HD3 ARG 36 HD1 ARG 36 22.879 18.855 0.194 189 HE ARG 36 HE ARG 36 23.020 18.727 3.075 190 HH11 ARG 36 HH11 ARG 36 20.871 19.229 0.341 191 HH12 ARG 36 HH12 ARG 36 19.452 18.865 1.261 192 HH21 ARG 36 HH21 ARG 36 21.149 18.296 4.254 193 HH22 ARG 36 HH22 ARG 36 19.605 18.348 3.470 194 H SER 37 HN SER 37 26.970 17.264 -1.910 195 HA SER 37 HA SER 37 26.441 14.933 -0.259 196 HB2 SER 37 HB2 SER 37 26.716 15.233 -3.283 197 HB3 SER 37 HB1 SER 37 26.172 13.770 -2.455 198 HG SER 37 HG SER 37 24.769 15.991 -3.107 199 H THR 38 HN THR 38 29.230 16.334 -1.819 200 HA THR 38 HA THR 38 30.767 13.794 -1.610 201 HB THR 38 HB THR 38 32.271 14.738 -3.344 202 HG1 THR 38 HG1 THR 38 30.614 16.738 -4.185 203 HG21 THR 38 HG21 THR 38 30.377 13.335 -4.091 204 HG22 THR 38 HG22 THR 38 30.753 14.587 -5.274 205 HG23 THR 38 HG23 THR 38 29.357 14.773 -4.211 206 H GLY 39 HN GLY 39 30.733 17.227 -0.827 207 HA2 GLY 39 HA2 GLY 39 31.962 18.359 0.794 208 HA3 GLY 39 HA1 GLY 39 33.001 16.957 1.005 209 H ALA 40 HN ALA 40 32.682 17.634 -2.272 210 HA ALA 40 HA ALA 40 35.363 18.597 -2.602 211 HB1 ALA 40 HB1 ALA 40 34.270 17.167 -4.288 212 HB2 ALA 40 HB2 ALA 40 34.800 18.689 -5.003 213 HB3 ALA 40 HB3 ALA 40 33.093 18.437 -4.625 214 H GLU 41 HN GLU 41 36.045 20.685 -3.275 215 HA GLU 41 HA GLU 41 34.538 22.892 -2.224 216 HB2 GLU 41 HB2 GLU 41 36.446 24.231 -2.678 217 HB3 GLU 41 HB1 GLU 41 37.120 22.643 -2.338 218 HG2 GLU 41 HG2 GLU 41 37.298 22.252 -4.808 219 HG3 GLU 41 HG1 GLU 41 36.732 23.913 -5.059 220 HA PRO 42 HA PRO 42 31.997 24.205 -5.658 221 HB2 PRO 42 HB2 PRO 42 32.537 26.937 -5.916 222 HB3 PRO 42 HB1 PRO 42 31.496 26.242 -4.667 223 HG2 PRO 42 HG2 PRO 42 34.439 26.926 -4.504 224 HG3 PRO 42 HG1 PRO 42 33.148 27.347 -3.371 225 HD2 PRO 42 HD2 PRO 42 34.719 25.321 -2.789 226 HD3 PRO 42 HD1 PRO 42 32.962 25.119 -2.556 227 H GLY 43 HN GLY 43 35.391 25.249 -5.930 228 HA2 GLY 43 HA2 GLY 43 35.432 25.720 -8.742 229 HA3 GLY 43 HA1 GLY 43 36.829 25.426 -7.711 230 H LEU 44 HN LEU 44 36.505 22.951 -6.790 231 HA LEU 44 HA LEU 44 37.328 21.226 -8.862 232 HB2 LEU 44 HB2 LEU 44 37.916 20.911 -6.457 233 HB3 LEU 44 HB1 LEU 44 36.246 20.513 -6.104 234 HG LEU 44 HG LEU 44 36.467 18.481 -7.599 235 HD11 LEU 44 HD11 LEU 44 38.701 17.717 -8.246 236 HD12 LEU 44 HD12 LEU 44 39.402 19.219 -7.640 237 HD13 LEU 44 HD13 LEU 44 38.297 19.251 -9.020 238 HD21 LEU 44 HD21 LEU 44 36.696 18.261 -5.160 239 HD22 LEU 44 HD22 LEU 44 38.425 18.585 -5.282 240 HD23 LEU 44 HD23 LEU 44 37.748 17.124 -6.005 241 H ALA 45 HN ALA 45 34.306 21.662 -7.189 242 HA ALA 45 HA ALA 45 32.775 19.550 -8.175 243 HB1 ALA 45 HB1 ALA 45 32.147 20.881 -6.208 244 HB2 ALA 45 HB2 ALA 45 30.847 20.908 -7.405 245 HB3 ALA 45 HB3 ALA 45 31.912 22.304 -7.224 246 H ARG 46 HN ARG 46 32.896 22.956 -9.200 247 HA ARG 46 HA ARG 46 31.186 22.865 -11.404 248 HB2 ARG 46 HB2 ARG 46 31.713 25.005 -10.594 249 HB3 ARG 46 HB1 ARG 46 33.437 24.706 -10.560 250 HG2 ARG 46 HG2 ARG 46 32.060 24.817 -13.236 251 HG3 ARG 46 HG1 ARG 46 32.321 26.331 -12.368 252 HD2 ARG 46 HD2 ARG 46 34.694 26.082 -12.422 253 HD3 ARG 46 HD1 ARG 46 34.595 24.373 -12.882 254 HE ARG 46 HE ARG 46 33.348 25.853 -14.897 255 HH11 ARG 46 HH11 ARG 46 36.614 25.671 -13.581 256 HH12 ARG 46 HH12 ARG 46 37.363 25.937 -15.120 257 HH21 ARG 46 HH21 ARG 46 34.349 26.159 -16.889 258 HH22 ARG 46 HH22 ARG 46 36.078 26.213 -17.004 259 H ASP 47 HN ASP 47 34.634 22.112 -11.188 260 HA ASP 47 HA ASP 47 35.182 22.010 -13.983 261 HB2 ASP 47 HB2 ASP 47 36.986 22.233 -12.287 262 HB3 ASP 47 HB1 ASP 47 36.629 20.620 -11.683 263 H LEU 48 HN LEU 48 34.438 19.456 -11.585 264 HA LEU 48 HA LEU 48 34.491 17.271 -13.414 265 HB2 LEU 48 HB2 LEU 48 32.974 17.436 -10.768 266 HB3 LEU 48 HB1 LEU 48 33.372 15.958 -11.645 267 HG LEU 48 HG LEU 48 35.338 17.834 -10.269 268 HD11 LEU 48 HD11 LEU 48 34.563 14.984 -9.590 269 HD12 LEU 48 HD12 LEU 48 34.097 16.440 -8.703 270 HD13 LEU 48 HD13 LEU 48 35.790 15.959 -8.770 271 HD21 LEU 48 HD21 LEU 48 37.101 16.240 -10.874 272 HD22 LEU 48 HD22 LEU 48 36.363 16.959 -12.301 273 HD23 LEU 48 HD23 LEU 48 35.944 15.308 -11.830 274 H LEU 49 HN LEU 49 31.937 19.404 -12.254 275 HA LEU 49 HA LEU 49 29.706 18.085 -13.379 276 HB2 LEU 49 HB2 LEU 49 30.170 20.899 -12.371 277 HB3 LEU 49 HB1 LEU 49 28.630 20.449 -13.087 278 HG LEU 49 HG LEU 49 29.834 18.995 -10.694 279 HD11 LEU 49 HD11 LEU 49 28.273 20.203 -9.266 280 HD12 LEU 49 HD12 LEU 49 27.725 21.168 -10.640 281 HD13 LEU 49 HD13 LEU 49 29.387 21.314 -10.063 282 HD21 LEU 49 HD21 LEU 49 28.238 17.656 -11.977 283 HD22 LEU 49 HD22 LEU 49 27.032 18.938 -11.866 284 HD23 LEU 49 HD23 LEU 49 27.564 18.094 -10.409 285 H GLU 50 HN GLU 50 31.603 20.898 -14.626 286 HA GLU 50 HA GLU 50 30.163 21.145 -17.055 287 HB2 GLU 50 HB2 GLU 50 32.958 22.078 -16.301 288 HB3 GLU 50 HB1 GLU 50 32.247 22.402 -17.880 289 HG2 GLU 50 HG2 GLU 50 30.309 23.486 -16.616 290 HG3 GLU 50 HG1 GLU 50 31.324 23.407 -15.181 291 H GLY 51 HN GLY 51 32.822 19.070 -16.111 292 HA2 GLY 51 HA2 GLY 51 33.441 18.023 -18.705 293 HA3 GLY 51 HA1 GLY 51 33.818 17.284 -17.155 294 H LYS 52 HN LYS 52 30.885 17.422 -16.404 295 HA LYS 52 HA LYS 52 29.962 15.011 -17.865 296 HB2 LYS 52 HB2 LYS 52 29.167 15.996 -15.084 297 HB3 LYS 52 HB1 LYS 52 28.615 14.506 -15.848 298 HG2 LYS 52 HG2 LYS 52 31.421 15.164 -14.927 299 HG3 LYS 52 HG1 LYS 52 30.324 13.968 -14.239 300 HD2 LYS 52 HD2 LYS 52 30.484 12.627 -16.306 301 HD3 LYS 52 HD1 LYS 52 31.542 13.846 -17.027 302 HE2 LYS 52 HE2 LYS 52 32.151 12.135 -14.599 303 HE3 LYS 52 HE1 LYS 52 32.864 11.980 -16.201 304 HZ1 LYS 52 HZ1 LYS 52 34.390 13.124 -14.793 305 HZ2 LYS 52 HZ2 LYS 52 33.212 14.237 -14.310 306 HZ3 LYS 52 HZ3 LYS 52 33.777 14.248 -15.900 307 H ASN 53 HN ASN 53 29.510 18.068 -18.381 308 HA ASN 53 HA ASN 53 27.942 19.389 -19.354 309 HB2 ASN 53 HB2 ASN 53 27.611 17.291 -20.746 310 HB3 ASN 53 HB1 ASN 53 26.294 16.838 -19.675 311 HD21 ASN 53 HD21 ASN 53 24.748 16.871 -21.295 312 HD22 ASN 53 HD22 ASN 53 24.218 18.318 -22.074 313 H TRP 54 HN TRP 54 27.858 18.754 -16.505 314 HA TRP 54 HA TRP 54 26.967 19.522 -14.632 315 HB2 TRP 54 HB2 TRP 54 24.990 20.864 -16.487 316 HB3 TRP 54 HB1 TRP 54 24.865 21.014 -14.737 317 HD1 TRP 54 HD1 TRP 54 26.988 22.187 -17.687 318 HE1 TRP 54 HE1 TRP 54 28.588 24.024 -16.872 319 HE3 TRP 54 HE3 TRP 54 26.135 21.848 -12.669 320 HZ2 TRP 54 HZ2 TRP 54 29.395 25.167 -14.439 321 HZ3 TRP 54 HZ3 TRP 54 27.361 23.341 -11.144 322 HH2 TRP 54 HH2 TRP 54 28.967 24.976 -12.017 323 H ASP 55 HN ASP 55 25.956 16.994 -16.153 324 HA ASP 55 HA ASP 55 23.618 16.289 -14.683 325 HB2 ASP 55 HB2 ASP 55 24.207 14.966 -16.658 326 HB3 ASP 55 HB1 ASP 55 25.739 14.487 -15.928 327 H LEU 56 HN LEU 56 23.518 16.183 -12.610 328 HA LEU 56 HA LEU 56 25.543 16.342 -10.727 329 HB2 LEU 56 HB2 LEU 56 23.211 16.905 -10.235 330 HB3 LEU 56 HB1 LEU 56 22.723 15.235 -10.494 331 HG LEU 56 HG LEU 56 24.080 14.575 -8.467 332 HD11 LEU 56 HD11 LEU 56 24.774 16.327 -6.876 333 HD12 LEU 56 HD12 LEU 56 24.356 17.572 -8.055 334 HD13 LEU 56 HD13 LEU 56 25.664 16.434 -8.396 335 HD21 LEU 56 HD21 LEU 56 21.662 14.867 -8.319 336 HD22 LEU 56 HD22 LEU 56 21.862 16.595 -8.001 337 HD23 LEU 56 HD23 LEU 56 22.439 15.407 -6.829 338 H THR 57 HN THR 57 23.781 13.467 -11.890 339 HA THR 57 HA THR 57 24.760 11.607 -10.028 340 HB THR 57 HB THR 57 23.717 11.037 -12.840 341 HG1 THR 57 HG1 THR 57 21.806 11.548 -12.076 342 HG21 THR 57 HG21 THR 57 23.731 9.329 -10.328 343 HG22 THR 57 HG22 THR 57 24.699 9.040 -11.778 344 HG23 THR 57 HG23 THR 57 22.940 8.905 -11.846 345 H ALA 58 HN ALA 58 25.814 12.272 -13.370 346 HA ALA 58 HA ALA 58 27.816 10.292 -13.566 347 HB1 ALA 58 HB1 ALA 58 28.641 11.555 -15.508 348 HB2 ALA 58 HB2 ALA 58 27.654 12.942 -15.033 349 HB3 ALA 58 HB3 ALA 58 26.879 11.438 -15.532 350 H ALA 59 HN ALA 59 27.891 13.600 -12.326 351 HA ALA 59 HA ALA 59 30.754 13.779 -12.086 352 HB1 ALA 59 HB1 ALA 59 30.307 15.860 -10.858 353 HB2 ALA 59 HB2 ALA 59 28.587 15.458 -10.792 354 HB3 ALA 59 HB3 ALA 59 29.359 15.780 -12.346 355 H LEU 60 HN LEU 60 28.091 12.933 -9.868 356 HA LEU 60 HA LEU 60 29.530 12.737 -7.433 357 HB2 LEU 60 HB2 LEU 60 27.093 11.185 -8.396 358 HB3 LEU 60 HB1 LEU 60 27.689 11.131 -6.745 359 HG LEU 60 HG LEU 60 26.602 13.623 -8.113 360 HD11 LEU 60 HD11 LEU 60 24.630 13.330 -6.691 361 HD12 LEU 60 HD12 LEU 60 25.283 11.812 -6.068 362 HD13 LEU 60 HD13 LEU 60 24.848 11.957 -7.774 363 HD21 LEU 60 HD21 LEU 60 28.244 14.165 -6.369 364 HD22 LEU 60 HD22 LEU 60 27.359 13.175 -5.206 365 HD23 LEU 60 HD23 LEU 60 26.617 14.630 -5.878 366 H SER 61 HN SER 61 28.702 10.327 -9.890 367 HA SER 61 HA SER 61 30.012 8.094 -8.740 368 HB2 SER 61 HB2 SER 61 28.164 7.919 -10.410 369 HB3 SER 61 HB1 SER 61 29.243 8.537 -11.663 370 HG SER 61 HG SER 61 29.750 6.212 -10.120 371 H ASP 62 HN ASP 62 31.059 10.640 -10.921 372 HA ASP 62 HA ASP 62 33.572 9.560 -11.726 373 HB2 ASP 62 HB2 ASP 62 32.527 11.420 -12.940 374 HB3 ASP 62 HB1 ASP 62 32.600 12.441 -11.509 375 H TYR 63 HN TYR 63 32.636 11.838 -9.162 376 HA TYR 63 HA TYR 63 35.151 12.398 -8.084 377 HB2 TYR 63 HB2 TYR 63 33.139 13.735 -7.593 378 HB3 TYR 63 HB1 TYR 63 32.431 12.386 -6.712 379 HD1 TYR 63 HD2 TYR 63 35.160 14.928 -6.636 380 HD2 TYR 63 HD1 TYR 63 33.039 11.966 -4.393 381 HE1 TYR 63 HE2 TYR 63 36.211 15.734 -4.565 382 HE2 TYR 63 HE1 TYR 63 34.103 12.770 -2.326 383 HH TYR 63 HH TYR 63 35.817 15.723 -2.172 384 H GLU 64 HN GLU 64 32.781 9.886 -7.195 385 HA GLU 64 HA GLU 64 34.405 8.812 -5.072 386 HB2 GLU 64 HB2 GLU 64 32.718 7.118 -4.805 387 HB3 GLU 64 HB1 GLU 64 31.893 8.643 -5.101 388 HG2 GLU 64 HG2 GLU 64 31.479 7.989 -7.420 389 HG3 GLU 64 HG1 GLU 64 32.361 6.483 -7.173 390 H GLN 65 HN GLN 65 34.249 8.330 -8.527 391 HA GLN 65 HA GLN 65 35.489 5.736 -8.644 392 HB2 GLN 65 HB2 GLN 65 34.092 6.612 -10.506 393 HB3 GLN 65 HB1 GLN 65 35.258 7.894 -10.793 394 HG2 GLN 65 HG2 GLN 65 35.792 6.382 -12.459 395 HG3 GLN 65 HG1 GLN 65 36.945 5.938 -11.210 396 HE21 GLN 65 HE21 GLN 65 34.768 4.453 -9.640 397 HE22 GLN 65 HE22 GLN 65 34.534 3.000 -10.525 398 H LEU 66 HN LEU 66 36.687 9.089 -8.864 399 HA LEU 66 HA LEU 66 39.419 8.275 -9.338 400 HB2 LEU 66 HB2 LEU 66 39.977 10.691 -9.109 401 HB3 LEU 66 HB1 LEU 66 38.752 10.343 -10.304 402 HG LEU 66 HG LEU 66 37.106 11.002 -8.263 403 HD11 LEU 66 HD11 LEU 66 39.552 12.679 -7.658 404 HD12 LEU 66 HD12 LEU 66 38.869 11.422 -6.623 405 HD13 LEU 66 HD13 LEU 66 37.941 12.881 -6.960 406 HD21 LEU 66 HD21 LEU 66 38.454 13.034 -10.067 407 HD22 LEU 66 HD22 LEU 66 36.929 13.268 -9.205 408 HD23 LEU 66 HD23 LEU 66 37.046 12.043 -10.466 409 H ARG 67 HN ARG 67 37.467 9.034 -6.530 410 HA ARG 67 HA ARG 67 39.699 8.696 -4.670 411 HB2 ARG 67 HB2 ARG 67 36.748 9.265 -4.287 412 HB3 ARG 67 HB1 ARG 67 37.800 8.865 -2.931 413 HG2 ARG 67 HG2 ARG 67 39.257 10.832 -3.610 414 HG3 ARG 67 HG1 ARG 67 37.981 11.282 -4.750 415 HD2 ARG 67 HD2 ARG 67 37.872 12.487 -2.541 416 HD3 ARG 67 HD1 ARG 67 36.401 11.603 -2.957 417 HE ARG 67 HE ARG 67 36.930 9.958 -1.330 418 HH11 ARG 67 HH11 ARG 67 39.155 12.695 -1.179 419 HH12 ARG 67 HH12 ARG 67 39.713 12.291 0.412 420 HH21 ARG 67 HH21 ARG 67 37.688 9.431 0.712 421 HH22 ARG 67 HH22 ARG 67 38.874 10.430 1.490 422 H GLN 68 HN GLN 68 37.817 6.547 -6.415 423 HA GLN 68 HA GLN 68 37.199 4.538 -4.505 424 HB2 GLN 68 HB2 GLN 68 36.119 4.618 -6.706 425 HB3 GLN 68 HB1 GLN 68 37.666 4.359 -7.500 426 HG2 GLN 68 HG2 GLN 68 37.746 2.084 -6.359 427 HG3 GLN 68 HG1 GLN 68 36.081 2.378 -5.845 428 HE21 GLN 68 HE21 GLN 68 38.178 1.866 -8.577 429 HE22 GLN 68 HE22 GLN 68 36.944 1.472 -9.713 430 H VAL 69 HN VAL 69 39.800 4.881 -6.884 431 HA VAL 69 HA VAL 69 41.884 4.081 -7.127 432 HB VAL 69 HB VAL 69 41.940 3.590 -4.108 433 HG11 VAL 69 HG11 VAL 69 44.344 4.128 -4.279 434 HG12 VAL 69 HG12 VAL 69 44.179 4.320 -6.026 435 HG13 VAL 69 HG13 VAL 69 43.925 2.739 -5.283 436 HG21 VAL 69 HG21 VAL 69 42.454 6.231 -5.539 437 HG22 VAL 69 HG22 VAL 69 42.731 5.927 -3.822 438 HG23 VAL 69 HG23 VAL 69 41.092 5.877 -4.472 439 H HIS 70 HN HIS 70 43.300 1.945 -6.774 440 HA HIS 70 HA HIS 70 41.539 -0.437 -6.539 441 HB2 HIS 70 HB2 HIS 70 44.223 -0.165 -7.971 442 HB3 HIS 70 HB1 HIS 70 43.250 -1.632 -7.898 443 HD1 HIS 70 HD1 HIS 70 43.568 1.601 -9.683 444 HD2 HIS 70 HD2 HIS 70 40.898 -1.567 -9.493 445 HE1 HIS 70 HE1 HIS 70 42.039 1.896 -11.649 446 HE2 HIS 70 HE2 HIS 70 40.597 -0.166 -11.637 447 H THR 71 HN THR 71 44.260 1.224 -5.156 448 HA THR 71 HA THR 71 44.943 -1.098 -3.440 449 HB THR 71 HB THR 71 46.773 1.257 -4.099 450 HG1 THR 71 HG1 THR 71 46.207 -1.087 -5.548 451 HG21 THR 71 HG21 THR 71 48.591 -0.297 -3.467 452 HG22 THR 71 HG22 THR 71 47.412 -1.555 -3.093 453 HG23 THR 71 HG23 THR 71 47.470 -0.080 -2.122 454 H ALA 72 HN ALA 72 42.982 1.443 -3.185 455 HA ALA 72 HA ALA 72 43.597 1.893 -0.334 456 HB1 ALA 72 HB1 ALA 72 43.249 4.304 -0.481 457 HB2 ALA 72 HB2 ALA 72 43.010 4.191 -2.226 458 HB3 ALA 72 HB3 ALA 72 44.587 3.821 -1.527 459 H ASN 73 HN ASN 73 41.880 0.431 -0.002 460 HA ASN 73 HA ASN 73 39.409 1.673 0.639 461 HB2 ASN 73 HB2 ASN 73 39.005 1.314 -1.834 462 HB3 ASN 73 HB1 ASN 73 39.212 -0.415 -1.587 463 HD21 ASN 73 HD21 ASN 73 37.146 -1.045 -2.134 464 HD22 ASN 73 HD22 ASN 73 35.736 -0.586 -1.246 465 H LEU 74 HN LEU 74 38.277 0.433 2.147 466 HA LEU 74 HA LEU 74 39.388 -2.168 2.948 467 HB2 LEU 74 HB2 LEU 74 37.329 -0.341 4.261 468 HB3 LEU 74 HB1 LEU 74 37.708 -1.944 4.863 469 HG LEU 74 HG LEU 74 40.111 -1.159 5.177 470 HD11 LEU 74 HD11 LEU 74 40.106 0.781 3.686 471 HD12 LEU 74 HD12 LEU 74 40.563 1.239 5.325 472 HD13 LEU 74 HD13 LEU 74 38.940 1.598 4.732 473 HD21 LEU 74 HD21 LEU 74 37.979 0.253 6.806 474 HD22 LEU 74 HD22 LEU 74 39.652 -0.016 7.305 475 HD23 LEU 74 HD23 LEU 74 38.573 -1.390 7.067 476 HA PRO 75 HA PRO 75 35.995 -4.096 0.513 477 HB2 PRO 75 HB2 PRO 75 37.050 -6.652 1.631 478 HB3 PRO 75 HB1 PRO 75 36.879 -6.157 -0.055 479 HG2 PRO 75 HG2 PRO 75 39.300 -6.333 1.127 480 HG3 PRO 75 HG1 PRO 75 38.951 -5.099 -0.103 481 HD2 PRO 75 HD2 PRO 75 39.045 -4.809 2.903 482 HD3 PRO 75 HD1 PRO 75 39.684 -3.728 1.642 483 H HIS 76 HN HIS 76 36.925 -5.312 3.734 484 HA HIS 76 HA HIS 76 34.177 -5.657 4.593 485 HB2 HIS 76 HB2 HIS 76 35.123 -6.410 6.733 486 HB3 HIS 76 HB1 HIS 76 35.922 -7.226 5.399 487 HD1 HIS 76 HD1 HIS 76 36.666 -5.593 8.491 488 HD2 HIS 76 HD2 HIS 76 38.582 -5.869 4.808 489 HE1 HIS 76 HE1 HIS 76 39.055 -4.963 8.926 490 HE2 HIS 76 HE2 HIS 76 40.165 -5.026 6.674 491 H VAL 77 HN VAL 77 33.021 -3.894 4.970 492 HA VAL 77 HA VAL 77 34.055 -1.711 6.623 493 HB VAL 77 HB VAL 77 34.603 -0.898 4.414 494 HG11 VAL 77 HG11 VAL 77 33.191 -2.336 3.025 495 HG12 VAL 77 HG12 VAL 77 32.962 -0.646 2.575 496 HG13 VAL 77 HG13 VAL 77 31.746 -1.470 3.550 497 HG21 VAL 77 HG21 VAL 77 32.064 0.486 5.362 498 HG22 VAL 77 HG22 VAL 77 33.275 1.193 4.291 499 HG23 VAL 77 HG23 VAL 77 33.698 0.791 5.958 500 H PHE 78 HN PHE 78 32.667 -2.024 8.249 501 HA PHE 78 HA PHE 78 30.826 -1.985 9.525 502 HB2 PHE 78 HB2 PHE 78 30.602 0.279 8.589 503 HB3 PHE 78 HB1 PHE 78 29.683 -0.344 7.227 504 HD1 PHE 78 HD1 PHE 78 29.589 -0.071 10.968 505 HD2 PHE 78 HD2 PHE 78 27.306 -0.429 7.366 506 HE1 PHE 78 HE1 PHE 78 27.512 0.252 12.242 507 HE2 PHE 78 HE2 PHE 78 25.235 -0.110 8.653 508 HZ PHE 78 HZ PHE 78 25.336 0.233 11.089 509 H ASN 79 HN ASN 79 30.681 -4.331 9.243 510 HA ASN 79 HA ASN 79 28.481 -5.323 7.602 511 HB2 ASN 79 HB2 ASN 79 30.488 -6.770 8.015 512 HB3 ASN 79 HB1 ASN 79 30.080 -6.831 9.729 513 HD21 ASN 79 HD21 ASN 79 29.066 -7.784 6.490 514 HD22 ASN 79 HD22 ASN 79 28.013 -9.057 6.996 515 H GLU 80 HN GLU 80 26.409 -5.400 8.263 516 HA GLU 80 HA GLU 80 25.667 -4.179 10.747 517 HB2 GLU 80 HB2 GLU 80 23.894 -5.528 8.671 518 HB3 GLU 80 HB1 GLU 80 23.360 -4.414 9.926 519 HG2 GLU 80 HG2 GLU 80 24.637 -2.588 8.853 520 HG3 GLU 80 HG1 GLU 80 25.201 -3.707 7.611 521 H GLY 81 HN GLY 81 24.231 -7.195 9.470 522 HA2 GLY 81 HA2 GLY 81 23.714 -9.201 10.437 523 HA3 GLY 81 HA1 GLY 81 25.000 -8.917 11.593 524 H ARG 82 HN ARG 82 22.834 -6.336 11.697 525 HA ARG 82 HA ARG 82 21.591 -5.457 13.364 526 HB2 ARG 82 HB2 ARG 82 20.418 -8.263 13.548 527 HB3 ARG 82 HB1 ARG 82 19.679 -6.800 14.189 528 HG2 ARG 82 HG2 ARG 82 19.435 -5.913 11.884 529 HG3 ARG 82 HG1 ARG 82 20.169 -7.382 11.240 530 HD2 ARG 82 HD2 ARG 82 18.284 -8.708 12.175 531 HD3 ARG 82 HD1 ARG 82 17.553 -7.218 12.788 532 HE ARG 82 HE ARG 82 18.049 -7.632 9.889 533 HH11 ARG 82 HH11 ARG 82 15.806 -6.829 12.481 534 HH12 ARG 82 HH12 ARG 82 14.521 -6.440 11.388 535 HH21 ARG 82 HH21 ARG 82 16.333 -7.120 8.484 536 HH22 ARG 82 HH22 ARG 82 14.819 -6.590 9.147 537 H GLY 83 HN GLY 83 24.200 -6.674 14.068 538 HA2 GLY 83 HA2 GLY 83 23.892 -7.999 16.645 539 HA3 GLY 83 HA1 GLY 83 25.385 -7.736 15.761 Start of MODEL 7 1 H1 SER 11 HT1 SER 11 26.262 1.213 -7.316 2 H2 SER 11 HT2 SER 11 25.335 2.382 -8.111 3 H3 SER 11 HT3 SER 11 26.455 1.460 -8.979 4 HA SER 11 HA SER 11 25.204 -0.534 -8.510 5 HB2 SER 11 HB2 SER 11 22.884 -0.253 -7.546 6 HB3 SER 11 HB1 SER 11 24.164 0.138 -6.395 7 HG SER 11 HG SER 11 23.371 2.069 -6.268 8 H ALA 12 HN ALA 12 24.068 -1.235 -10.262 9 HA ALA 12 HA ALA 12 23.080 -1.337 -12.278 10 HB1 ALA 12 HB1 ALA 12 21.780 1.310 -11.553 11 HB2 ALA 12 HB2 ALA 12 21.147 -0.293 -11.167 12 HB3 ALA 12 HB3 ALA 12 21.272 0.225 -12.850 13 H GLU 13 HN GLU 13 22.792 -0.088 -14.468 14 HA GLU 13 HA GLU 13 25.476 0.746 -15.184 15 HB2 GLU 13 HB2 GLU 13 24.253 -0.886 -16.559 16 HB3 GLU 13 HB1 GLU 13 22.992 0.296 -16.893 17 HG2 GLU 13 HG2 GLU 13 24.544 1.649 -18.195 18 HG3 GLU 13 HG1 GLU 13 25.891 0.611 -17.725 19 H CYS 14 HN CYS 14 22.201 2.134 -15.718 20 HA CYS 14 HA CYS 14 23.232 4.853 -15.324 21 HB2 CYS 14 HB2 CYS 14 21.782 4.026 -17.877 22 HB3 CYS 14 HB1 CYS 14 22.183 5.684 -17.430 23 HG CYS 14 HG CYS 14 25.031 4.559 -17.248 24 H TRP 15 HN TRP 15 21.743 6.210 -14.433 25 HA TRP 15 HA TRP 15 18.940 5.284 -14.083 26 HB2 TRP 15 HB2 TRP 15 20.597 7.182 -12.345 27 HB3 TRP 15 HB1 TRP 15 18.899 6.795 -12.078 28 HD1 TRP 15 HD1 TRP 15 22.409 5.215 -11.794 29 HE1 TRP 15 HE1 TRP 15 22.263 3.180 -10.235 30 HE3 TRP 15 HE3 TRP 15 17.328 5.010 -11.174 31 HZ2 TRP 15 HZ2 TRP 15 20.285 1.672 -8.920 32 HZ3 TRP 15 HZ3 TRP 15 16.388 3.231 -9.746 33 HH2 TRP 15 HH2 TRP 15 17.838 1.593 -8.639 34 H ALA 16 HN ALA 16 17.272 6.778 -14.502 35 HA ALA 16 HA ALA 16 17.807 8.883 -16.395 36 HB1 ALA 16 HB1 ALA 16 15.209 8.147 -15.001 37 HB2 ALA 16 HB2 ALA 16 15.766 7.507 -16.548 38 HB3 ALA 16 HB3 ALA 16 15.371 9.220 -16.396 39 H ALA 17 HN ALA 17 17.061 8.678 -12.960 40 HA ALA 17 HA ALA 17 17.259 10.081 -11.200 41 HB1 ALA 17 HB1 ALA 17 19.012 11.801 -11.288 42 HB2 ALA 17 HB2 ALA 17 19.052 11.694 -13.051 43 HB3 ALA 17 HB3 ALA 17 19.559 10.316 -12.072 44 H LEU 18 HN LEU 18 15.117 10.598 -13.265 45 HA LEU 18 HA LEU 18 14.650 13.474 -13.198 46 HB2 LEU 18 HB2 LEU 18 12.945 11.237 -14.366 47 HB3 LEU 18 HB1 LEU 18 12.643 12.960 -14.567 48 HG LEU 18 HG LEU 18 15.047 11.429 -15.654 49 HD11 LEU 18 HD11 LEU 18 12.702 12.662 -17.126 50 HD12 LEU 18 HD12 LEU 18 13.015 10.938 -16.897 51 HD13 LEU 18 HD13 LEU 18 14.120 11.908 -17.866 52 HD21 LEU 18 HD21 LEU 18 15.725 13.689 -15.031 53 HD22 LEU 18 HD22 LEU 18 14.377 14.379 -15.940 54 HD23 LEU 18 HD23 LEU 18 15.675 13.530 -16.787 55 H LEU 19 HN LEU 19 12.498 14.292 -12.544 56 HA LEU 19 HA LEU 19 11.134 14.935 -10.886 57 HB2 LEU 19 HB2 LEU 19 11.035 11.974 -10.222 58 HB3 LEU 19 HB1 LEU 19 10.169 13.171 -9.281 59 HG LEU 19 HG LEU 19 8.887 13.814 -11.369 60 HD11 LEU 19 HD11 LEU 19 8.838 12.266 -13.276 61 HD12 LEU 19 HD12 LEU 19 10.179 11.355 -12.572 62 HD13 LEU 19 HD13 LEU 19 10.419 13.026 -13.082 63 HD21 LEU 19 HD21 LEU 19 7.364 11.877 -11.312 64 HD22 LEU 19 HD22 LEU 19 7.868 12.354 -9.693 65 HD23 LEU 19 HD23 LEU 19 8.586 10.932 -10.456 66 H HIS 20 HN HIS 20 14.201 14.364 -10.502 67 HA HIS 20 HA HIS 20 14.296 15.028 -7.605 68 HB2 HIS 20 HB2 HIS 20 16.500 13.919 -9.403 69 HB3 HIS 20 HB1 HIS 20 16.712 14.367 -7.717 70 HD1 HIS 20 HD1 HIS 20 15.890 12.714 -5.938 71 HD2 HIS 20 HD2 HIS 20 15.097 11.475 -9.828 72 HE1 HIS 20 HE1 HIS 20 15.199 10.303 -5.754 73 HE2 HIS 20 HE2 HIS 20 14.562 9.623 -8.092 74 H ASP 21 HN ASP 21 14.773 16.119 -10.807 75 HA ASP 21 HA ASP 21 16.464 18.416 -10.179 76 HB2 ASP 21 HB2 ASP 21 16.380 18.791 -12.656 77 HB3 ASP 21 HB1 ASP 21 16.946 17.180 -12.236 78 HA PRO 22 HA PRO 22 13.053 21.240 -9.558 79 HB2 PRO 22 HB2 PRO 22 14.589 23.464 -10.808 80 HB3 PRO 22 HB1 PRO 22 14.085 23.251 -9.127 81 HG2 PRO 22 HG2 PRO 22 16.666 23.006 -9.847 82 HG3 PRO 22 HG1 PRO 22 15.959 21.971 -8.584 83 HD2 PRO 22 HD2 PRO 22 16.453 21.319 -11.504 84 HD3 PRO 22 HD1 PRO 22 16.844 20.361 -10.054 85 H MET 23 HN MET 23 14.398 21.146 -12.806 86 HA MET 23 HA MET 23 11.834 21.836 -14.062 87 HB2 MET 23 HB2 MET 23 12.955 24.032 -13.811 88 HB3 MET 23 HB1 MET 23 14.415 23.394 -14.551 89 HG2 MET 23 HG2 MET 23 13.129 23.064 -16.674 90 HG3 MET 23 HG1 MET 23 11.750 23.866 -15.912 91 HE1 MET 23 HE1 MET 23 11.816 26.467 -15.124 92 HE2 MET 23 HE2 MET 23 13.252 27.480 -15.287 93 HE3 MET 23 HE3 MET 23 13.254 26.122 -14.164 94 H THR 24 HN THR 24 15.267 21.424 -14.738 95 HA THR 24 HA THR 24 14.968 18.966 -16.186 96 HB THR 24 HB THR 24 14.414 20.438 -18.055 97 HG1 THR 24 HG1 THR 24 15.849 19.612 -19.443 98 HG21 THR 24 HG21 THR 24 15.350 22.576 -17.276 99 HG22 THR 24 HG22 THR 24 15.953 22.187 -18.891 100 HG23 THR 24 HG23 THR 24 16.987 21.946 -17.482 101 H LEU 25 HN LEU 25 16.896 21.745 -15.312 102 HA LEU 25 HA LEU 25 18.954 20.391 -13.942 103 HB2 LEU 25 HB2 LEU 25 19.525 19.864 -16.361 104 HB3 LEU 25 HB1 LEU 25 19.708 21.578 -16.660 105 HG LEU 25 HG LEU 25 21.438 20.215 -14.567 106 HD11 LEU 25 HD11 LEU 25 23.136 19.734 -16.251 107 HD12 LEU 25 HD12 LEU 25 22.040 20.241 -17.539 108 HD13 LEU 25 HD13 LEU 25 21.662 18.818 -16.560 109 HD21 LEU 25 HD21 LEU 25 21.950 22.617 -16.371 110 HD22 LEU 25 HD22 LEU 25 23.074 21.956 -15.180 111 HD23 LEU 25 HD23 LEU 25 21.557 22.669 -14.648 112 H ASP 26 HN ASP 26 20.118 21.939 -12.751 113 HA ASP 26 HA ASP 26 19.831 24.794 -13.343 114 HB2 ASP 26 HB2 ASP 26 17.912 24.174 -11.807 115 HB3 ASP 26 HB1 ASP 26 19.077 23.612 -10.620 116 H MET 27 HN MET 27 21.917 25.438 -13.400 117 HA MET 27 HA MET 27 24.134 23.973 -12.613 118 HB2 MET 27 HB2 MET 27 23.843 26.946 -13.134 119 HB3 MET 27 HB1 MET 27 25.403 26.219 -12.752 120 HG2 MET 27 HG2 MET 27 25.272 26.431 -15.109 121 HG3 MET 27 HG1 MET 27 25.114 24.718 -14.731 122 HE1 MET 27 HE1 MET 27 24.266 24.343 -17.243 123 HE2 MET 27 HE2 MET 27 24.440 26.077 -17.524 124 HE3 MET 27 HE3 MET 27 22.936 25.260 -17.958 125 H ASP 28 HN ASP 28 22.446 26.522 -10.789 126 HA ASP 28 HA ASP 28 24.335 26.766 -8.676 127 HB2 ASP 28 HB2 ASP 28 22.686 28.520 -9.154 128 HB3 ASP 28 HB1 ASP 28 21.362 27.424 -8.768 129 H ALA 29 HN ALA 29 21.392 24.829 -9.081 130 HA ALA 29 HA ALA 29 21.329 23.753 -6.430 131 HB1 ALA 29 HB1 ALA 29 19.964 22.749 -8.954 132 HB2 ALA 29 HB2 ALA 29 19.307 23.935 -7.819 133 HB3 ALA 29 HB3 ALA 29 19.570 22.267 -7.303 134 H VAL 30 HN VAL 30 22.583 22.576 -9.532 135 HA VAL 30 HA VAL 30 23.255 19.927 -8.692 136 HB VAL 30 HB VAL 30 24.160 21.541 -11.129 137 HG11 VAL 30 HG11 VAL 30 24.587 18.578 -10.585 138 HG12 VAL 30 HG12 VAL 30 25.847 19.811 -10.669 139 HG13 VAL 30 HG13 VAL 30 24.923 19.398 -12.112 140 HG21 VAL 30 HG21 VAL 30 22.562 20.121 -12.381 141 HG22 VAL 30 HG22 VAL 30 21.747 21.054 -11.124 142 HG23 VAL 30 HG23 VAL 30 22.075 19.337 -10.873 143 H LEU 31 HN LEU 31 25.069 22.964 -9.001 144 HA LEU 31 HA LEU 31 27.659 21.989 -8.370 145 HB2 LEU 31 HB2 LEU 31 27.278 24.168 -9.463 146 HB3 LEU 31 HB1 LEU 31 26.477 24.774 -8.028 147 HG LEU 31 HG LEU 31 28.600 24.764 -6.775 148 HD11 LEU 31 HD11 LEU 31 30.734 24.222 -7.882 149 HD12 LEU 31 HD12 LEU 31 29.847 23.630 -9.290 150 HD13 LEU 31 HD13 LEU 31 29.674 22.823 -7.729 151 HD21 LEU 31 HD21 LEU 31 28.058 26.776 -8.102 152 HD22 LEU 31 HD22 LEU 31 28.924 26.109 -9.488 153 HD23 LEU 31 HD23 LEU 31 29.802 26.521 -8.012 154 H SER 32 HN SER 32 25.170 23.575 -6.367 155 HA SER 32 HA SER 32 26.601 23.534 -3.927 156 HB2 SER 32 HB2 SER 32 24.694 25.065 -4.368 157 HB3 SER 32 HB1 SER 32 23.583 23.696 -4.346 158 HG SER 32 HG SER 32 25.277 24.169 -2.144 159 H ASP 33 HN ASP 33 24.256 21.279 -5.344 160 HA ASP 33 HA ASP 33 23.901 19.595 -3.078 161 HB2 ASP 33 HB2 ASP 33 22.363 19.646 -5.109 162 HB3 ASP 33 HB1 ASP 33 23.604 18.783 -6.006 163 H PHE 34 HN PHE 34 26.027 19.406 -5.938 164 HA PHE 34 HA PHE 34 27.249 16.936 -5.437 165 HB2 PHE 34 HB2 PHE 34 27.511 18.095 -7.591 166 HB3 PHE 34 HB1 PHE 34 28.409 19.401 -6.821 167 HD1 PHE 34 HD2 PHE 34 28.558 15.833 -7.852 168 HD2 PHE 34 HD1 PHE 34 30.764 19.134 -6.281 169 HE1 PHE 34 HE2 PHE 34 30.658 14.609 -8.177 170 HE2 PHE 34 HE1 PHE 34 32.856 17.897 -6.618 171 HZ PHE 34 HZ PHE 34 32.800 15.638 -7.559 172 H VAL 35 HN VAL 35 28.397 20.207 -4.587 173 HA VAL 35 HA VAL 35 30.739 19.578 -3.196 174 HB VAL 35 HB VAL 35 28.809 21.927 -2.910 175 HG11 VAL 35 HG11 VAL 35 30.598 23.193 -1.776 176 HG12 VAL 35 HG12 VAL 35 31.602 21.741 -1.717 177 HG13 VAL 35 HG13 VAL 35 30.090 21.805 -0.809 178 HG21 VAL 35 HG21 VAL 35 31.492 21.707 -4.329 179 HG22 VAL 35 HG22 VAL 35 30.475 23.152 -4.257 180 HG23 VAL 35 HG23 VAL 35 29.907 21.714 -5.112 181 H ARG 36 HN ARG 36 27.410 19.725 -2.080 182 HA ARG 36 HA ARG 36 27.924 19.389 0.725 183 HB2 ARG 36 HB2 ARG 36 25.924 20.534 -0.384 184 HB3 ARG 36 HB1 ARG 36 25.310 18.935 -0.783 185 HG2 ARG 36 HG2 ARG 36 25.059 18.400 1.590 186 HG3 ARG 36 HG1 ARG 36 25.831 19.923 2.046 187 HD2 ARG 36 HD2 ARG 36 23.947 21.116 0.815 188 HD3 ARG 36 HD1 ARG 36 23.140 19.551 0.688 189 HE ARG 36 HE ARG 36 23.471 19.650 3.305 190 HH11 ARG 36 HH11 ARG 36 22.503 22.289 1.201 191 HH12 ARG 36 HH12 ARG 36 21.550 23.076 2.414 192 HH21 ARG 36 HH21 ARG 36 22.250 20.712 4.908 193 HH22 ARG 36 HH22 ARG 36 21.428 22.191 4.537 194 H SER 37 HN SER 37 27.292 17.223 -1.981 195 HA SER 37 HA SER 37 26.671 14.885 -0.371 196 HB2 SER 37 HB2 SER 37 27.049 15.234 -3.378 197 HB3 SER 37 HB1 SER 37 26.530 13.735 -2.606 198 HG SER 37 HG SER 37 25.036 15.788 -3.358 199 H THR 38 HN THR 38 29.530 16.211 -1.971 200 HA THR 38 HA THR 38 30.964 13.613 -1.760 201 HB THR 38 HB THR 38 32.500 14.523 -3.503 202 HG1 THR 38 HG1 THR 38 30.850 16.559 -4.289 203 HG21 THR 38 HG21 THR 38 29.573 14.620 -4.331 204 HG22 THR 38 HG22 THR 38 30.554 13.156 -4.206 205 HG23 THR 38 HG23 THR 38 30.954 14.385 -5.405 206 H GLY 39 HN GLY 39 30.990 16.923 -0.680 207 HA2 GLY 39 HA2 GLY 39 32.325 17.968 0.892 208 HA3 GLY 39 HA1 GLY 39 33.289 16.504 1.036 209 H ALA 40 HN ALA 40 32.876 17.587 -2.182 210 HA ALA 40 HA ALA 40 35.646 18.359 -2.493 211 HB1 ALA 40 HB1 ALA 40 35.062 18.660 -4.876 212 HB2 ALA 40 HB2 ALA 40 33.350 18.454 -4.491 213 HB3 ALA 40 HB3 ALA 40 34.471 17.112 -4.268 214 H GLU 41 HN GLU 41 36.285 20.466 -3.496 215 HA GLU 41 HA GLU 41 34.983 22.715 -2.193 216 HB2 GLU 41 HB2 GLU 41 36.882 24.004 -2.750 217 HB3 GLU 41 HB1 GLU 41 37.564 22.392 -2.560 218 HG2 GLU 41 HG2 GLU 41 37.545 22.111 -5.011 219 HG3 GLU 41 HG1 GLU 41 36.843 23.728 -5.179 220 HA PRO 42 HA PRO 42 32.253 24.073 -5.460 221 HB2 PRO 42 HB2 PRO 42 32.666 26.808 -5.610 222 HB3 PRO 42 HB1 PRO 42 31.779 26.026 -4.292 223 HG2 PRO 42 HG2 PRO 42 34.701 26.813 -4.392 224 HG3 PRO 42 HG1 PRO 42 33.510 27.167 -3.131 225 HD2 PRO 42 HD2 PRO 42 35.192 25.158 -2.780 226 HD3 PRO 42 HD1 PRO 42 33.478 24.925 -2.350 227 H GLY 43 HN GLY 43 35.592 25.288 -5.823 228 HA2 GLY 43 HA2 GLY 43 35.519 25.980 -8.563 229 HA3 GLY 43 HA1 GLY 43 36.959 25.597 -7.632 230 H LEU 44 HN LEU 44 36.876 23.128 -7.001 231 HA LEU 44 HA LEU 44 37.489 21.505 -9.171 232 HB2 LEU 44 HB2 LEU 44 38.160 21.063 -6.823 233 HB3 LEU 44 HB1 LEU 44 36.492 20.713 -6.409 234 HG LEU 44 HG LEU 44 36.591 18.734 -8.002 235 HD11 LEU 44 HD11 LEU 44 38.780 17.874 -8.679 236 HD12 LEU 44 HD12 LEU 44 39.565 19.314 -8.026 237 HD13 LEU 44 HD13 LEU 44 38.464 19.454 -9.400 238 HD21 LEU 44 HD21 LEU 44 37.820 17.280 -6.437 239 HD22 LEU 44 HD22 LEU 44 36.776 18.417 -5.587 240 HD23 LEU 44 HD23 LEU 44 38.518 18.701 -5.657 241 H ALA 45 HN ALA 45 34.507 21.773 -7.319 242 HA ALA 45 HA ALA 45 33.018 19.664 -8.379 243 HB1 ALA 45 HB1 ALA 45 32.437 20.863 -6.320 244 HB2 ALA 45 HB2 ALA 45 31.070 20.858 -7.439 245 HB3 ALA 45 HB3 ALA 45 32.059 22.311 -7.251 246 H ARG 46 HN ARG 46 32.851 23.140 -9.209 247 HA ARG 46 HA ARG 46 31.050 22.942 -11.357 248 HB2 ARG 46 HB2 ARG 46 31.345 25.076 -10.349 249 HB3 ARG 46 HB1 ARG 46 33.087 25.051 -10.556 250 HG2 ARG 46 HG2 ARG 46 31.349 25.112 -13.027 251 HG3 ARG 46 HG1 ARG 46 31.514 26.585 -12.070 252 HD2 ARG 46 HD2 ARG 46 33.941 26.533 -12.335 253 HD3 ARG 46 HD1 ARG 46 33.848 24.997 -13.206 254 HE ARG 46 HE ARG 46 32.300 26.749 -14.667 255 HH11 ARG 46 HH11 ARG 46 35.663 26.693 -13.614 256 HH12 ARG 46 HH12 ARG 46 36.244 27.560 -14.997 257 HH21 ARG 46 HH21 ARG 46 33.079 27.848 -16.507 258 HH22 ARG 46 HH22 ARG 46 34.768 28.224 -16.647 259 H ASP 47 HN ASP 47 34.596 22.853 -11.299 260 HA ASP 47 HA ASP 47 35.192 22.822 -14.029 261 HB2 ASP 47 HB2 ASP 47 36.990 23.039 -12.421 262 HB3 ASP 47 HB1 ASP 47 36.597 21.495 -11.671 263 H LEU 48 HN LEU 48 34.528 20.083 -11.851 264 HA LEU 48 HA LEU 48 34.739 17.954 -13.695 265 HB2 LEU 48 HB2 LEU 48 33.037 18.196 -11.179 266 HB3 LEU 48 HB1 LEU 48 33.275 16.692 -12.053 267 HG LEU 48 HG LEU 48 35.572 18.256 -10.801 268 HD11 LEU 48 HD11 LEU 48 34.046 17.579 -9.018 269 HD12 LEU 48 HD12 LEU 48 35.543 16.653 -8.953 270 HD13 LEU 48 HD13 LEU 48 34.075 15.910 -9.598 271 HD21 LEU 48 HD21 LEU 48 35.414 15.386 -11.787 272 HD22 LEU 48 HD22 LEU 48 36.822 16.157 -11.043 273 HD23 LEU 48 HD23 LEU 48 36.234 16.723 -12.605 274 H LEU 49 HN LEU 49 31.989 19.938 -12.676 275 HA LEU 49 HA LEU 49 29.958 18.566 -14.127 276 HB2 LEU 49 HB2 LEU 49 30.082 21.307 -12.819 277 HB3 LEU 49 HB1 LEU 49 28.617 20.676 -13.562 278 HG LEU 49 HG LEU 49 30.072 19.212 -11.328 279 HD11 LEU 49 HD11 LEU 49 27.716 21.088 -11.007 280 HD12 LEU 49 HD12 LEU 49 29.366 21.376 -10.446 281 HD13 LEU 49 HD13 LEU 49 28.421 20.062 -9.753 282 HD21 LEU 49 HD21 LEU 49 27.268 18.903 -12.447 283 HD22 LEU 49 HD22 LEU 49 27.947 17.991 -11.093 284 HD23 LEU 49 HD23 LEU 49 28.629 17.807 -12.707 285 H GLU 50 HN GLU 50 32.167 21.149 -15.068 286 HA GLU 50 HA GLU 50 30.897 21.995 -17.466 287 HB2 GLU 50 HB2 GLU 50 33.875 21.826 -16.823 288 HB3 GLU 50 HB1 GLU 50 33.199 22.703 -18.193 289 HG2 GLU 50 HG2 GLU 50 32.539 23.366 -15.303 290 HG3 GLU 50 HG1 GLU 50 33.868 24.094 -16.177 291 H GLY 51 HN GLY 51 32.971 19.262 -16.670 292 HA2 GLY 51 HA2 GLY 51 33.031 18.226 -19.424 293 HA3 GLY 51 HA1 GLY 51 33.923 17.611 -18.042 294 H LYS 52 HN LYS 52 30.968 17.940 -16.758 295 HA LYS 52 HA LYS 52 30.094 15.198 -17.477 296 HB2 LYS 52 HB2 LYS 52 29.540 16.808 -14.943 297 HB3 LYS 52 HB1 LYS 52 28.899 15.194 -15.272 298 HG2 LYS 52 HG2 LYS 52 31.815 15.947 -14.915 299 HG3 LYS 52 HG1 LYS 52 30.808 15.054 -13.775 300 HD2 LYS 52 HD2 LYS 52 30.695 13.148 -15.226 301 HD3 LYS 52 HD1 LYS 52 31.397 14.041 -16.581 302 HE2 LYS 52 HE2 LYS 52 33.530 14.217 -15.359 303 HE3 LYS 52 HE1 LYS 52 32.828 13.341 -14.002 304 HZ1 LYS 52 HZ1 LYS 52 33.280 12.292 -16.739 305 HZ2 LYS 52 HZ2 LYS 52 32.502 11.442 -15.501 306 HZ3 LYS 52 HZ3 LYS 52 34.129 11.873 -15.334 307 H ASN 53 HN ASN 53 29.400 18.168 -18.447 308 HA ASN 53 HA ASN 53 27.669 19.242 -19.433 309 HB2 ASN 53 HB2 ASN 53 27.474 17.011 -20.588 310 HB3 ASN 53 HB1 ASN 53 26.312 16.503 -19.384 311 HD21 ASN 53 HD21 ASN 53 24.188 17.295 -19.503 312 HD22 ASN 53 HD22 ASN 53 23.595 18.140 -20.891 313 H TRP 54 HN TRP 54 27.862 18.948 -16.502 314 HA TRP 54 HA TRP 54 26.912 19.509 -14.565 315 HB2 TRP 54 HB2 TRP 54 24.972 20.916 -16.432 316 HB3 TRP 54 HB1 TRP 54 24.859 21.059 -14.679 317 HD1 TRP 54 HD1 TRP 54 27.172 22.060 -17.603 318 HE1 TRP 54 HE1 TRP 54 28.756 23.920 -16.774 319 HE3 TRP 54 HE3 TRP 54 25.913 22.056 -12.658 320 HZ2 TRP 54 HZ2 TRP 54 29.365 25.217 -14.368 321 HZ3 TRP 54 HZ3 TRP 54 27.047 23.632 -11.142 322 HH2 TRP 54 HH2 TRP 54 28.748 25.185 -11.978 323 H ASP 55 HN ASP 55 26.033 17.015 -16.056 324 HA ASP 55 HA ASP 55 23.605 16.212 -14.742 325 HB2 ASP 55 HB2 ASP 55 25.859 14.620 -16.047 326 HB3 ASP 55 HB1 ASP 55 24.482 13.842 -15.267 327 H LEU 56 HN LEU 56 23.530 16.270 -12.640 328 HA LEU 56 HA LEU 56 25.541 16.376 -10.742 329 HB2 LEU 56 HB2 LEU 56 23.193 17.007 -10.341 330 HB3 LEU 56 HB1 LEU 56 22.699 15.329 -10.500 331 HG LEU 56 HG LEU 56 23.963 14.775 -8.410 332 HD11 LEU 56 HD11 LEU 56 24.743 16.589 -6.925 333 HD12 LEU 56 HD12 LEU 56 24.417 17.774 -8.193 334 HD13 LEU 56 HD13 LEU 56 25.656 16.538 -8.434 335 HD21 LEU 56 HD21 LEU 56 21.571 15.200 -8.303 336 HD22 LEU 56 HD22 LEU 56 21.847 16.937 -8.136 337 HD23 LEU 56 HD23 LEU 56 22.355 15.834 -6.854 338 H THR 57 HN THR 57 23.628 13.539 -11.748 339 HA THR 57 HA THR 57 24.699 11.639 -9.975 340 HB THR 57 HB THR 57 23.531 10.984 -12.714 341 HG1 THR 57 HG1 THR 57 22.177 11.770 -10.319 342 HG21 THR 57 HG21 THR 57 22.583 9.028 -11.540 343 HG22 THR 57 HG22 THR 57 23.341 9.554 -10.035 344 HG23 THR 57 HG23 THR 57 24.343 9.048 -11.400 345 H ALA 58 HN ALA 58 25.723 12.629 -13.211 346 HA ALA 58 HA ALA 58 27.597 10.528 -13.720 347 HB1 ALA 58 HB1 ALA 58 28.352 11.940 -15.595 348 HB2 ALA 58 HB2 ALA 58 27.426 13.302 -14.949 349 HB3 ALA 58 HB3 ALA 58 26.590 11.863 -15.535 350 H ALA 59 HN ALA 59 27.844 13.780 -12.339 351 HA ALA 59 HA ALA 59 30.698 13.823 -12.055 352 HB1 ALA 59 HB1 ALA 59 29.368 15.882 -12.168 353 HB2 ALA 59 HB2 ALA 59 30.322 15.824 -10.684 354 HB3 ALA 59 HB3 ALA 59 28.588 15.476 -10.639 355 H LEU 60 HN LEU 60 27.993 12.944 -9.920 356 HA LEU 60 HA LEU 60 29.417 12.564 -7.503 357 HB2 LEU 60 HB2 LEU 60 26.842 11.295 -8.520 358 HB3 LEU 60 HB1 LEU 60 27.458 11.033 -6.894 359 HG LEU 60 HG LEU 60 26.543 13.703 -8.041 360 HD11 LEU 60 HD11 LEU 60 25.229 11.932 -5.958 361 HD12 LEU 60 HD12 LEU 60 24.669 12.199 -7.612 362 HD13 LEU 60 HD13 LEU 60 24.677 13.534 -6.462 363 HD21 LEU 60 HD21 LEU 60 26.832 14.601 -5.772 364 HD22 LEU 60 HD22 LEU 60 28.360 14.037 -6.441 365 HD23 LEU 60 HD23 LEU 60 27.513 13.059 -5.241 366 H SER 61 HN SER 61 28.590 10.367 -10.167 367 HA SER 61 HA SER 61 29.679 7.978 -9.096 368 HB2 SER 61 HB2 SER 61 28.024 8.032 -10.962 369 HB3 SER 61 HB1 SER 61 29.251 8.720 -12.026 370 HG SER 61 HG SER 61 30.398 6.813 -11.919 371 H ASP 62 HN ASP 62 31.023 10.560 -11.063 372 HA ASP 62 HA ASP 62 33.522 9.398 -11.747 373 HB2 ASP 62 HB2 ASP 62 32.543 11.343 -12.940 374 HB3 ASP 62 HB1 ASP 62 32.718 12.328 -11.490 375 H TYR 63 HN TYR 63 32.522 11.617 -9.140 376 HA TYR 63 HA TYR 63 35.080 11.973 -7.995 377 HB2 TYR 63 HB2 TYR 63 33.188 13.551 -7.611 378 HB3 TYR 63 HB1 TYR 63 32.381 12.332 -6.625 379 HD1 TYR 63 HD1 TYR 63 33.281 11.754 -4.354 380 HD2 TYR 63 HD2 TYR 63 35.144 14.797 -6.717 381 HE1 TYR 63 HE1 TYR 63 34.522 12.525 -2.381 382 HE2 TYR 63 HE2 TYR 63 36.380 15.569 -4.733 383 HH TYR 63 HH TYR 63 36.188 15.481 -2.275 384 H GLU 64 HN GLU 64 32.366 9.798 -7.087 385 HA GLU 64 HA GLU 64 33.641 8.696 -4.797 386 HB2 GLU 64 HB2 GLU 64 31.865 7.009 -4.779 387 HB3 GLU 64 HB1 GLU 64 31.190 8.599 -5.124 388 HG2 GLU 64 HG2 GLU 64 31.166 7.988 -7.563 389 HG3 GLU 64 HG1 GLU 64 31.661 6.354 -7.106 390 H GLN 65 HN GLN 65 33.822 7.947 -8.219 391 HA GLN 65 HA GLN 65 35.193 5.463 -8.063 392 HB2 GLN 65 HB2 GLN 65 34.094 6.284 -10.121 393 HB3 GLN 65 HB1 GLN 65 35.249 7.606 -10.231 394 HG2 GLN 65 HG2 GLN 65 37.073 5.931 -10.559 395 HG3 GLN 65 HG1 GLN 65 35.867 4.650 -10.517 396 HE21 GLN 65 HE21 GLN 65 35.379 7.768 -12.115 397 HE22 GLN 65 HE22 GLN 65 35.366 7.142 -13.720 398 H LEU 66 HN LEU 66 36.402 8.847 -8.376 399 HA LEU 66 HA LEU 66 39.163 8.035 -8.401 400 HB2 LEU 66 HB2 LEU 66 39.714 10.432 -8.479 401 HB3 LEU 66 HB1 LEU 66 38.527 9.977 -9.679 402 HG LEU 66 HG LEU 66 36.784 10.948 -7.939 403 HD11 LEU 66 HD11 LEU 66 37.588 12.849 -6.621 404 HD12 LEU 66 HD12 LEU 66 39.256 12.441 -7.032 405 HD13 LEU 66 HD13 LEU 66 38.287 11.329 -6.061 406 HD21 LEU 66 HD21 LEU 66 37.118 11.888 -10.164 407 HD22 LEU 66 HD22 LEU 66 38.539 12.776 -9.608 408 HD23 LEU 66 HD23 LEU 66 36.940 13.181 -8.977 409 H ARG 67 HN ARG 67 36.939 8.997 -5.882 410 HA ARG 67 HA ARG 67 39.054 9.477 -3.924 411 HB2 ARG 67 HB2 ARG 67 37.441 10.440 -2.543 412 HB3 ARG 67 HB1 ARG 67 36.799 10.801 -4.131 413 HG2 ARG 67 HG2 ARG 67 34.839 10.063 -3.219 414 HG3 ARG 67 HG1 ARG 67 35.467 8.472 -3.650 415 HD2 ARG 67 HD2 ARG 67 36.514 8.449 -1.284 416 HD3 ARG 67 HD1 ARG 67 35.462 9.822 -0.941 417 HE ARG 67 HE ARG 67 33.586 8.241 -1.651 418 HH11 ARG 67 HH11 ARG 67 36.545 7.060 -0.167 419 HH12 ARG 67 HH12 ARG 67 35.777 5.698 0.578 420 HH21 ARG 67 HH21 ARG 67 32.586 6.456 -0.640 421 HH22 ARG 67 HH22 ARG 67 33.533 5.364 0.318 422 H GLN 68 HN GLN 68 37.226 6.841 -5.088 423 HA GLN 68 HA GLN 68 37.054 5.135 -2.861 424 HB2 GLN 68 HB2 GLN 68 35.984 4.713 -5.087 425 HB3 GLN 68 HB1 GLN 68 37.566 4.399 -5.784 426 HG2 GLN 68 HG2 GLN 68 36.461 2.297 -5.404 427 HG3 GLN 68 HG1 GLN 68 37.793 2.428 -4.255 428 HE21 GLN 68 HE21 GLN 68 34.302 2.493 -4.639 429 HE22 GLN 68 HE22 GLN 68 33.915 2.268 -2.969 430 H VAL 69 HN VAL 69 39.590 5.497 -5.322 431 HA VAL 69 HA VAL 69 41.754 4.933 -5.530 432 HB VAL 69 HB VAL 69 41.921 5.302 -2.509 433 HG11 VAL 69 HG11 VAL 69 44.101 5.518 -4.632 434 HG12 VAL 69 HG12 VAL 69 43.947 4.230 -3.430 435 HG13 VAL 69 HG13 VAL 69 44.298 5.880 -2.914 436 HG21 VAL 69 HG21 VAL 69 42.533 7.657 -2.984 437 HG22 VAL 69 HG22 VAL 69 40.899 7.288 -3.541 438 HG23 VAL 69 HG23 VAL 69 42.226 7.391 -4.704 439 H HIS 70 HN HIS 70 41.855 2.852 -6.239 440 HA HIS 70 HA HIS 70 41.015 0.573 -4.744 441 HB2 HIS 70 HB2 HIS 70 42.731 0.692 -7.263 442 HB3 HIS 70 HB1 HIS 70 41.972 -0.764 -6.624 443 HD1 HIS 70 HD1 HIS 70 41.465 0.855 -9.437 444 HD2 HIS 70 HD2 HIS 70 38.941 0.512 -6.152 445 HE1 HIS 70 HE1 HIS 70 39.151 1.272 -10.328 446 HE2 HIS 70 HE2 HIS 70 37.668 1.219 -8.288 447 H THR 71 HN THR 71 44.042 2.239 -4.881 448 HA THR 71 HA THR 71 45.749 0.117 -3.957 449 HB THR 71 HB THR 71 46.285 3.123 -3.827 450 HG1 THR 71 HG1 THR 71 47.381 2.261 -5.998 451 HG21 THR 71 HG21 THR 71 47.976 1.724 -2.680 452 HG22 THR 71 HG22 THR 71 48.645 2.453 -4.141 453 HG23 THR 71 HG23 THR 71 48.173 0.751 -4.142 454 H ALA 72 HN ALA 72 43.842 2.676 -2.472 455 HA ALA 72 HA ALA 72 44.642 1.857 0.275 456 HB1 ALA 72 HB1 ALA 72 44.048 4.675 -0.731 457 HB2 ALA 72 HB2 ALA 72 45.635 4.043 -0.285 458 HB3 ALA 72 HB3 ALA 72 44.387 4.235 0.948 459 H ASN 73 HN ASN 73 42.691 3.525 1.578 460 HA ASN 73 HA ASN 73 40.133 3.334 0.284 461 HB2 ASN 73 HB2 ASN 73 38.987 1.917 1.935 462 HB3 ASN 73 HB1 ASN 73 40.301 1.021 1.190 463 HD21 ASN 73 HD21 ASN 73 39.107 2.454 4.125 464 HD22 ASN 73 HD22 ASN 73 40.277 1.757 5.188 465 H LEU 74 HN LEU 74 39.050 5.088 0.808 466 HA LEU 74 HA LEU 74 39.784 6.721 3.134 467 HB2 LEU 74 HB2 LEU 74 38.117 7.291 0.653 468 HB3 LEU 74 HB1 LEU 74 38.224 8.411 1.998 469 HG LEU 74 HG LEU 74 40.683 8.641 1.595 470 HD11 LEU 74 HD11 LEU 74 41.195 6.500 0.534 471 HD12 LEU 74 HD12 LEU 74 41.699 7.839 -0.493 472 HD13 LEU 74 HD13 LEU 74 40.227 6.943 -0.875 473 HD21 LEU 74 HD21 LEU 74 38.938 9.278 -0.804 474 HD22 LEU 74 HD22 LEU 74 40.496 10.025 -0.431 475 HD23 LEU 74 HD23 LEU 74 39.124 10.269 0.647 476 HA PRO 75 HA PRO 75 36.158 4.820 5.179 477 HB2 PRO 75 HB2 PRO 75 36.892 6.675 7.411 478 HB3 PRO 75 HB1 PRO 75 36.712 4.916 7.422 479 HG2 PRO 75 HG2 PRO 75 39.140 6.048 7.550 480 HG3 PRO 75 HG1 PRO 75 38.876 4.553 6.626 481 HD2 PRO 75 HD2 PRO 75 39.091 7.393 5.601 482 HD3 PRO 75 HD1 PRO 75 39.842 5.904 4.971 483 H HIS 76 HN HIS 76 34.819 5.907 3.623 484 HA HIS 76 HA HIS 76 33.185 8.063 4.791 485 HB2 HIS 76 HB2 HIS 76 34.673 9.137 3.099 486 HB3 HIS 76 HB1 HIS 76 34.129 7.990 1.882 487 HD1 HIS 76 HD1 HIS 76 32.134 8.698 0.521 488 HD2 HIS 76 HD2 HIS 76 32.514 10.903 4.026 489 HE1 HIS 76 HE1 HIS 76 30.359 10.479 0.395 490 HE2 HIS 76 HE2 HIS 76 30.619 11.814 2.517 491 H VAL 77 HN VAL 77 31.371 6.981 5.194 492 HA VAL 77 HA VAL 77 29.709 5.466 5.224 493 HB VAL 77 HB VAL 77 29.850 5.574 2.178 494 HG11 VAL 77 HG11 VAL 77 28.592 3.588 2.922 495 HG12 VAL 77 HG12 VAL 77 27.493 4.780 2.225 496 HG13 VAL 77 HG13 VAL 77 27.589 4.588 3.979 497 HG21 VAL 77 HG21 VAL 77 29.484 7.811 3.120 498 HG22 VAL 77 HG22 VAL 77 28.147 7.207 4.107 499 HG23 VAL 77 HG23 VAL 77 28.006 7.231 2.346 500 H PHE 78 HN PHE 78 30.670 3.793 6.216 501 HA PHE 78 HA PHE 78 32.685 2.108 5.128 502 HB2 PHE 78 HB2 PHE 78 32.300 2.580 7.593 503 HB3 PHE 78 HB1 PHE 78 30.888 1.532 7.532 504 HD1 PHE 78 HD2 PHE 78 34.592 1.572 6.997 505 HD2 PHE 78 HD1 PHE 78 31.156 -0.833 7.850 506 HE1 PHE 78 HE2 PHE 78 36.048 -0.352 7.456 507 HE2 PHE 78 HE1 PHE 78 32.627 -2.755 8.304 508 HZ PHE 78 HZ PHE 78 35.070 -2.516 8.110 509 H ASN 79 HN ASN 79 29.203 1.765 5.541 510 HA ASN 79 HA ASN 79 28.945 -0.057 3.333 511 HB2 ASN 79 HB2 ASN 79 29.587 -1.655 5.161 512 HB3 ASN 79 HB1 ASN 79 28.232 -1.086 6.130 513 HD21 ASN 79 HD21 ASN 79 27.051 -2.967 6.216 514 HD22 ASN 79 HD22 ASN 79 26.397 -3.770 4.831 515 H GLU 80 HN GLU 80 26.835 -0.063 2.556 516 HA GLU 80 HA GLU 80 24.624 0.856 4.234 517 HB2 GLU 80 HB2 GLU 80 23.743 2.381 2.526 518 HB3 GLU 80 HB1 GLU 80 25.338 2.902 3.050 519 HG2 GLU 80 HG2 GLU 80 26.342 2.058 1.006 520 HG3 GLU 80 HG1 GLU 80 24.799 1.379 0.483 521 H GLY 81 HN GLY 81 22.536 0.702 2.577 522 HA2 GLY 81 HA2 GLY 81 21.236 -0.679 1.217 523 HA3 GLY 81 HA1 GLY 81 22.623 -1.736 0.965 524 H ARG 82 HN ARG 82 21.085 -3.441 1.303 525 HA ARG 82 HA ARG 82 20.063 -5.108 2.394 526 HB2 ARG 82 HB2 ARG 82 22.488 -5.018 3.447 527 HB3 ARG 82 HB1 ARG 82 21.655 -4.491 4.900 528 HG2 ARG 82 HG2 ARG 82 21.028 -7.092 3.453 529 HG3 ARG 82 HG1 ARG 82 22.212 -6.960 4.753 530 HD2 ARG 82 HD2 ARG 82 20.453 -6.258 6.310 531 HD3 ARG 82 HD1 ARG 82 19.259 -6.309 5.009 532 HE ARG 82 HE ARG 82 20.490 -8.833 5.208 533 HH11 ARG 82 HH11 ARG 82 18.298 -6.816 7.074 534 HH12 ARG 82 HH12 ARG 82 17.500 -8.163 7.812 535 HH21 ARG 82 HH21 ARG 82 19.432 -10.590 6.202 536 HH22 ARG 82 HH22 ARG 82 18.136 -10.294 7.317 537 H GLY 83 HN GLY 83 18.335 -3.393 2.149 538 HA2 GLY 83 HA2 GLY 83 17.133 -2.571 4.737 539 HA3 GLY 83 HA1 GLY 83 16.766 -1.877 3.160 Start of MODEL 8 1 H1 SER 11 HT1 SER 11 31.677 12.233 3.578 2 H2 SER 11 HT2 SER 11 32.837 13.354 4.077 3 H3 SER 11 HT3 SER 11 32.662 11.893 4.909 4 HA SER 11 HA SER 11 33.551 12.217 2.119 5 HB2 SER 11 HB2 SER 11 35.158 11.304 4.549 6 HB3 SER 11 HB1 SER 11 35.772 11.566 2.914 7 HG SER 11 HG SER 11 35.263 13.797 3.170 8 H ALA 12 HN ALA 12 32.305 10.635 1.161 9 HA ALA 12 HA ALA 12 32.806 7.836 1.695 10 HB1 ALA 12 HB1 ALA 12 30.002 8.934 2.167 11 HB2 ALA 12 HB2 ALA 12 31.080 8.299 3.410 12 HB3 ALA 12 HB3 ALA 12 30.447 7.222 2.161 13 H GLU 13 HN GLU 13 31.098 6.535 0.216 14 HA GLU 13 HA GLU 13 31.424 7.385 -2.479 15 HB2 GLU 13 HB2 GLU 13 30.278 5.364 -3.120 16 HB3 GLU 13 HB1 GLU 13 31.280 4.976 -1.732 17 HG2 GLU 13 HG2 GLU 13 28.289 5.455 -1.643 18 HG3 GLU 13 HG1 GLU 13 29.054 3.873 -1.695 19 H CYS 14 HN CYS 14 29.688 7.860 -4.021 20 HA CYS 14 HA CYS 14 27.552 9.506 -2.783 21 HB2 CYS 14 HB2 CYS 14 29.204 10.189 -5.249 22 HB3 CYS 14 HB1 CYS 14 27.913 11.179 -4.566 23 HG CYS 14 HG CYS 14 30.573 10.366 -2.613 24 H TRP 15 HN TRP 15 26.132 7.673 -3.050 25 HA TRP 15 HA TRP 15 25.233 6.868 -5.677 26 HB2 TRP 15 HB2 TRP 15 23.827 6.554 -2.981 27 HB3 TRP 15 HB1 TRP 15 23.361 5.762 -4.480 28 HD1 TRP 15 HD1 TRP 15 25.766 5.462 -1.566 29 HE1 TRP 15 HE1 TRP 15 26.997 3.218 -1.720 30 HE3 TRP 15 HE3 TRP 15 24.325 4.053 -6.273 31 HZ2 TRP 15 HZ2 TRP 15 27.348 1.135 -3.571 32 HZ3 TRP 15 HZ3 TRP 15 25.161 1.913 -7.165 33 HH2 TRP 15 HH2 TRP 15 26.646 0.479 -5.839 34 H ALA 16 HN ALA 16 24.563 8.626 -6.851 35 HA ALA 16 HA ALA 16 22.792 10.663 -5.844 36 HB1 ALA 16 HB1 ALA 16 24.359 11.082 -7.717 37 HB2 ALA 16 HB2 ALA 16 22.690 11.440 -8.162 38 HB3 ALA 16 HB3 ALA 16 23.454 9.951 -8.722 39 H ALA 17 HN ALA 17 22.478 7.776 -7.878 40 HA ALA 17 HA ALA 17 20.781 6.459 -8.556 41 HB1 ALA 17 HB1 ALA 17 19.342 7.553 -6.110 42 HB2 ALA 17 HB2 ALA 17 20.438 6.169 -6.129 43 HB3 ALA 17 HB3 ALA 17 18.908 6.091 -7.002 44 H LEU 18 HN LEU 18 20.983 9.110 -9.656 45 HA LEU 18 HA LEU 18 20.002 10.632 -10.987 46 HB2 LEU 18 HB2 LEU 18 17.701 8.647 -11.120 47 HB3 LEU 18 HB1 LEU 18 17.874 10.048 -12.171 48 HG LEU 18 HG LEU 18 19.733 7.629 -12.086 49 HD11 LEU 18 HD11 LEU 18 17.757 8.482 -14.231 50 HD12 LEU 18 HD12 LEU 18 17.571 7.120 -13.120 51 HD13 LEU 18 HD13 LEU 18 18.866 7.109 -14.311 52 HD21 LEU 18 HD21 LEU 18 20.858 8.620 -14.042 53 HD22 LEU 18 HD22 LEU 18 21.009 9.642 -12.618 54 HD23 LEU 18 HD23 LEU 18 19.863 10.072 -13.889 55 H LEU 19 HN LEU 19 19.720 12.413 -9.664 56 HA LEU 19 HA LEU 19 17.485 12.799 -7.908 57 HB2 LEU 19 HB2 LEU 19 19.649 14.094 -7.761 58 HB3 LEU 19 HB1 LEU 19 19.219 14.950 -9.225 59 HG LEU 19 HG LEU 19 17.399 15.103 -6.785 60 HD11 LEU 19 HD11 LEU 19 19.794 16.905 -7.242 61 HD12 LEU 19 HD12 LEU 19 19.651 15.683 -5.975 62 HD13 LEU 19 HD13 LEU 19 18.572 17.077 -5.979 63 HD21 LEU 19 HD21 LEU 19 16.780 17.316 -7.690 64 HD22 LEU 19 HD22 LEU 19 16.501 16.054 -8.886 65 HD23 LEU 19 HD23 LEU 19 17.914 17.103 -9.029 66 H HIS 20 HN HIS 20 18.273 13.933 -11.185 67 HA HIS 20 HA HIS 20 17.101 14.590 -12.985 68 HB2 HIS 20 HB2 HIS 20 16.143 12.326 -12.863 69 HB3 HIS 20 HB1 HIS 20 14.905 12.875 -11.746 70 HD1 HIS 20 HD1 HIS 20 12.897 14.148 -12.731 71 HD2 HIS 20 HD2 HIS 20 15.675 12.952 -15.581 72 HE1 HIS 20 HE1 HIS 20 11.742 14.417 -14.946 73 HE2 HIS 20 HE2 HIS 20 13.369 13.491 -16.632 74 H ASP 21 HN ASP 21 17.038 16.793 -12.610 75 HA ASP 21 HA ASP 21 15.333 18.162 -10.837 76 HB2 ASP 21 HB2 ASP 21 17.397 19.168 -11.782 77 HB3 ASP 21 HB1 ASP 21 16.677 19.180 -13.389 78 HA PRO 22 HA PRO 22 11.435 17.345 -12.884 79 HB2 PRO 22 HB2 PRO 22 10.389 19.745 -11.403 80 HB3 PRO 22 HB1 PRO 22 9.825 18.067 -11.378 81 HG2 PRO 22 HG2 PRO 22 11.179 19.071 -9.308 82 HG3 PRO 22 HG1 PRO 22 11.467 17.401 -9.843 83 HD2 PRO 22 HD2 PRO 22 13.117 19.880 -10.388 84 HD3 PRO 22 HD1 PRO 22 13.657 18.249 -9.917 85 H MET 23 HN MET 23 12.838 20.569 -13.003 86 HA MET 23 HA MET 23 10.997 21.595 -15.010 87 HB2 MET 23 HB2 MET 23 13.606 22.769 -13.934 88 HB3 MET 23 HB1 MET 23 12.425 23.626 -14.920 89 HG2 MET 23 HG2 MET 23 10.792 23.531 -13.129 90 HG3 MET 23 HG1 MET 23 11.850 22.506 -12.159 91 HE1 MET 23 HE1 MET 23 14.681 24.968 -11.076 92 HE2 MET 23 HE2 MET 23 14.711 23.792 -12.390 93 HE3 MET 23 HE3 MET 23 13.973 23.368 -10.845 94 H THR 24 HN THR 24 14.550 21.278 -14.959 95 HA THR 24 HA THR 24 14.808 19.803 -17.399 96 HB THR 24 HB THR 24 15.464 22.795 -17.505 97 HG1 THR 24 HG1 THR 24 13.543 21.174 -18.712 98 HG21 THR 24 HG21 THR 24 16.220 20.652 -19.525 99 HG22 THR 24 HG22 THR 24 17.341 21.582 -18.525 100 HG23 THR 24 HG23 THR 24 16.391 22.397 -19.768 101 H LEU 25 HN LEU 25 16.436 22.318 -15.497 102 HA LEU 25 HA LEU 25 18.390 20.785 -14.209 103 HB2 LEU 25 HB2 LEU 25 19.298 20.538 -16.565 104 HB3 LEU 25 HB1 LEU 25 19.434 22.283 -16.665 105 HG LEU 25 HG LEU 25 21.044 22.130 -14.649 106 HD11 LEU 25 HD11 LEU 25 21.077 19.196 -15.377 107 HD12 LEU 25 HD12 LEU 25 20.466 19.898 -13.876 108 HD13 LEU 25 HD13 LEU 25 22.184 20.003 -14.261 109 HD21 LEU 25 HD21 LEU 25 21.820 22.588 -16.944 110 HD22 LEU 25 HD22 LEU 25 21.982 20.852 -17.235 111 HD23 LEU 25 HD23 LEU 25 22.990 21.648 -16.020 112 H ASP 26 HN ASP 26 19.770 22.185 -12.920 113 HA ASP 26 HA ASP 26 19.645 25.081 -13.257 114 HB2 ASP 26 HB2 ASP 26 17.690 24.480 -11.737 115 HB3 ASP 26 HB1 ASP 26 18.841 23.785 -10.599 116 H MET 27 HN MET 27 21.812 25.384 -13.459 117 HA MET 27 HA MET 27 23.847 23.655 -12.651 118 HB2 MET 27 HB2 MET 27 23.973 26.611 -13.308 119 HB3 MET 27 HB1 MET 27 25.412 25.671 -12.945 120 HG2 MET 27 HG2 MET 27 25.274 25.842 -15.281 121 HG3 MET 27 HG1 MET 27 24.834 24.185 -14.870 122 HE1 MET 27 HE1 MET 27 24.384 25.906 -17.613 123 HE2 MET 27 HE2 MET 27 22.817 25.267 -18.118 124 HE3 MET 27 HE3 MET 27 24.055 24.177 -17.488 125 H ASP 28 HN ASP 28 22.453 26.394 -10.911 126 HA ASP 28 HA ASP 28 24.477 26.672 -8.920 127 HB2 ASP 28 HB2 ASP 28 22.876 28.482 -9.520 128 HB3 ASP 28 HB1 ASP 28 21.548 27.528 -8.866 129 H ALA 29 HN ALA 29 21.400 24.939 -9.062 130 HA ALA 29 HA ALA 29 21.399 23.917 -6.396 131 HB1 ALA 29 HB1 ALA 29 19.348 24.106 -7.741 132 HB2 ALA 29 HB2 ALA 29 19.584 22.449 -7.182 133 HB3 ALA 29 HB3 ALA 29 19.952 22.881 -8.858 134 H VAL 30 HN VAL 30 22.500 22.648 -9.506 135 HA VAL 30 HA VAL 30 23.161 20.004 -8.675 136 HB VAL 30 HB VAL 30 24.060 21.651 -11.085 137 HG11 VAL 30 HG11 VAL 30 25.728 19.883 -10.721 138 HG12 VAL 30 HG12 VAL 30 24.754 19.513 -12.145 139 HG13 VAL 30 HG13 VAL 30 24.450 18.667 -10.624 140 HG21 VAL 30 HG21 VAL 30 21.637 21.196 -11.018 141 HG22 VAL 30 HG22 VAL 30 21.956 19.467 -10.845 142 HG23 VAL 30 HG23 VAL 30 22.409 20.305 -12.330 143 H LEU 31 HN LEU 31 24.972 23.021 -8.898 144 HA LEU 31 HA LEU 31 27.578 22.046 -8.325 145 HB2 LEU 31 HB2 LEU 31 27.118 24.266 -9.354 146 HB3 LEU 31 HB1 LEU 31 26.382 24.813 -7.858 147 HG LEU 31 HG LEU 31 28.622 24.583 -6.716 148 HD11 LEU 31 HD11 LEU 31 29.642 22.892 -8.161 149 HD12 LEU 31 HD12 LEU 31 30.655 24.330 -8.065 150 HD13 LEU 31 HD13 LEU 31 29.677 24.034 -9.507 151 HD21 LEU 31 HD21 LEU 31 28.619 26.414 -9.139 152 HD22 LEU 31 HD22 LEU 31 29.630 26.591 -7.701 153 HD23 LEU 31 HD23 LEU 31 27.881 26.764 -7.573 154 H SER 32 HN SER 32 25.071 23.553 -6.306 155 HA SER 32 HA SER 32 26.415 23.429 -3.828 156 HB2 SER 32 HB2 SER 32 24.529 24.945 -4.232 157 HB3 SER 32 HB1 SER 32 23.432 23.582 -4.436 158 HG SER 32 HG SER 32 24.805 23.511 -2.074 159 H ASP 33 HN ASP 33 24.158 21.165 -5.386 160 HA ASP 33 HA ASP 33 23.723 19.406 -3.202 161 HB2 ASP 33 HB2 ASP 33 22.297 19.475 -5.289 162 HB3 ASP 33 HB1 ASP 33 23.618 18.743 -6.186 163 H PHE 34 HN PHE 34 25.951 19.352 -5.958 164 HA PHE 34 HA PHE 34 27.328 16.980 -5.488 165 HB2 PHE 34 HB2 PHE 34 27.511 18.336 -7.575 166 HB3 PHE 34 HB1 PHE 34 28.420 19.565 -6.703 167 HD1 PHE 34 HD1 PHE 34 30.745 19.045 -5.891 168 HD2 PHE 34 HD2 PHE 34 28.598 16.313 -8.376 169 HE1 PHE 34 HE1 PHE 34 32.831 17.861 -6.400 170 HE2 PHE 34 HE2 PHE 34 30.694 15.140 -8.864 171 HZ PHE 34 HZ PHE 34 32.801 15.916 -7.877 172 H VAL 35 HN VAL 35 28.340 20.290 -4.572 173 HA VAL 35 HA VAL 35 30.658 19.693 -3.140 174 HB VAL 35 HB VAL 35 28.729 22.036 -2.846 175 HG11 VAL 35 HG11 VAL 35 30.547 23.308 -1.749 176 HG12 VAL 35 HG12 VAL 35 31.554 21.861 -1.732 177 HG13 VAL 35 HG13 VAL 35 30.073 21.912 -0.777 178 HG21 VAL 35 HG21 VAL 35 30.359 23.255 -4.245 179 HG22 VAL 35 HG22 VAL 35 29.758 21.818 -5.078 180 HG23 VAL 35 HG23 VAL 35 31.364 21.803 -4.346 181 H ARG 36 HN ARG 36 27.319 19.804 -2.027 182 HA ARG 36 HA ARG 36 27.873 19.765 0.770 183 HB2 ARG 36 HB2 ARG 36 25.802 20.719 -0.267 184 HB3 ARG 36 HB1 ARG 36 25.272 19.087 -0.666 185 HG2 ARG 36 HG2 ARG 36 25.057 18.517 1.678 186 HG3 ARG 36 HG1 ARG 36 25.820 20.029 2.167 187 HD2 ARG 36 HD2 ARG 36 23.887 21.275 1.202 188 HD3 ARG 36 HD1 ARG 36 23.114 19.729 0.823 189 HE ARG 36 HE ARG 36 23.881 20.064 3.602 190 HH11 ARG 36 HH11 ARG 36 21.259 20.432 1.288 191 HH12 ARG 36 HH12 ARG 36 20.038 20.502 2.515 192 HH21 ARG 36 HH21 ARG 36 22.268 20.155 5.184 193 HH22 ARG 36 HH22 ARG 36 20.610 20.364 4.718 194 H SER 37 HN SER 37 27.364 17.243 -1.643 195 HA SER 37 HA SER 37 27.143 15.126 0.392 196 HB2 SER 37 HB2 SER 37 26.709 13.631 -1.569 197 HB3 SER 37 HB1 SER 37 25.598 14.996 -1.488 198 HG SER 37 HG SER 37 26.560 15.914 -3.202 199 H THR 38 HN THR 38 29.463 16.326 -1.972 200 HA THR 38 HA THR 38 31.171 13.957 -1.842 201 HB THR 38 HB THR 38 32.560 15.151 -3.546 202 HG1 THR 38 HG1 THR 38 30.759 17.109 -4.107 203 HG21 THR 38 HG21 THR 38 30.711 13.710 -4.318 204 HG22 THR 38 HG22 THR 38 30.941 15.093 -5.389 205 HG23 THR 38 HG23 THR 38 29.602 15.086 -4.239 206 H GLY 39 HN GLY 39 31.105 17.249 -0.638 207 HA2 GLY 39 HA2 GLY 39 32.452 18.329 0.891 208 HA3 GLY 39 HA1 GLY 39 33.460 16.893 1.014 209 H ALA 40 HN ALA 40 32.986 17.793 -2.213 210 HA ALA 40 HA ALA 40 35.704 18.729 -2.571 211 HB1 ALA 40 HB1 ALA 40 33.412 18.478 -4.561 212 HB2 ALA 40 HB2 ALA 40 34.651 17.263 -4.249 213 HB3 ALA 40 HB3 ALA 40 35.101 18.808 -4.973 214 H GLU 41 HN GLU 41 36.299 20.856 -3.274 215 HA GLU 41 HA GLU 41 34.699 22.981 -2.186 216 HB2 GLU 41 HB2 GLU 41 36.528 24.414 -2.622 217 HB3 GLU 41 HB1 GLU 41 37.326 22.854 -2.444 218 HG2 GLU 41 HG2 GLU 41 37.354 22.638 -4.935 219 HG3 GLU 41 HG1 GLU 41 36.644 24.255 -5.044 220 HA PRO 42 HA PRO 42 32.048 24.135 -5.622 221 HB2 PRO 42 HB2 PRO 42 32.400 26.907 -5.798 222 HB3 PRO 42 HB1 PRO 42 31.378 26.102 -4.599 223 HG2 PRO 42 HG2 PRO 42 34.256 26.998 -4.342 224 HG3 PRO 42 HG1 PRO 42 32.907 27.283 -3.226 225 HD2 PRO 42 HD2 PRO 42 34.624 25.365 -2.672 226 HD3 PRO 42 HD1 PRO 42 32.883 25.017 -2.488 227 H GLY 43 HN GLY 43 35.373 25.408 -5.811 228 HA2 GLY 43 HA2 GLY 43 35.464 25.941 -8.601 229 HA3 GLY 43 HA1 GLY 43 36.845 25.671 -7.549 230 H LEU 44 HN LEU 44 36.381 23.099 -6.696 231 HA LEU 44 HA LEU 44 37.378 21.496 -8.843 232 HB2 LEU 44 HB2 LEU 44 38.036 21.124 -6.481 233 HB3 LEU 44 HB1 LEU 44 36.383 20.695 -6.076 234 HG LEU 44 HG LEU 44 36.562 18.675 -7.553 235 HD11 LEU 44 HD11 LEU 44 39.466 19.482 -7.863 236 HD12 LEU 44 HD12 LEU 44 38.241 19.459 -9.135 237 HD13 LEU 44 HD13 LEU 44 38.758 17.951 -8.387 238 HD21 LEU 44 HD21 LEU 44 37.016 18.470 -5.139 239 HD22 LEU 44 HD22 LEU 44 38.725 18.803 -5.424 240 HD23 LEU 44 HD23 LEU 44 37.988 17.338 -6.082 241 H ALA 45 HN ALA 45 34.341 21.829 -7.182 242 HA ALA 45 HA ALA 45 32.872 19.692 -8.252 243 HB1 ALA 45 HB1 ALA 45 32.194 20.942 -6.251 244 HB2 ALA 45 HB2 ALA 45 30.903 20.959 -7.454 245 HB3 ALA 45 HB3 ALA 45 31.917 22.389 -7.222 246 H ARG 46 HN ARG 46 32.987 23.137 -9.155 247 HA ARG 46 HA ARG 46 31.279 23.068 -11.373 248 HB2 ARG 46 HB2 ARG 46 31.770 25.194 -10.410 249 HB3 ARG 46 HB1 ARG 46 33.504 24.973 -10.547 250 HG2 ARG 46 HG2 ARG 46 31.898 25.103 -13.094 251 HG3 ARG 46 HG1 ARG 46 32.138 26.597 -12.191 252 HD2 ARG 46 HD2 ARG 46 34.541 26.414 -12.386 253 HD3 ARG 46 HD1 ARG 46 34.420 24.781 -13.055 254 HE ARG 46 HE ARG 46 33.008 26.555 -14.719 255 HH11 ARG 46 HH11 ARG 46 36.356 25.908 -13.819 256 HH12 ARG 46 HH12 ARG 46 36.979 26.341 -15.379 257 HH21 ARG 46 HH21 ARG 46 33.840 27.072 -16.759 258 HH22 ARG 46 HH22 ARG 46 35.550 27.004 -17.044 259 H ASP 47 HN ASP 47 34.823 22.689 -11.180 260 HA ASP 47 HA ASP 47 35.502 22.486 -13.874 261 HB2 ASP 47 HB2 ASP 47 37.240 22.586 -12.183 262 HB3 ASP 47 HB1 ASP 47 36.694 21.085 -11.445 263 H LEU 48 HN LEU 48 34.546 19.867 -11.655 264 HA LEU 48 HA LEU 48 34.640 17.742 -13.541 265 HB2 LEU 48 HB2 LEU 48 33.121 17.973 -10.911 266 HB3 LEU 48 HB1 LEU 48 33.274 16.484 -11.833 267 HG LEU 48 HG LEU 48 35.646 18.023 -10.687 268 HD11 LEU 48 HD11 LEU 48 35.831 16.251 -9.010 269 HD12 LEU 48 HD12 LEU 48 34.333 15.520 -9.594 270 HD13 LEU 48 HD13 LEU 48 34.308 17.126 -8.861 271 HD21 LEU 48 HD21 LEU 48 35.504 15.269 -11.962 272 HD22 LEU 48 HD22 LEU 48 36.938 16.000 -11.232 273 HD23 LEU 48 HD23 LEU 48 36.226 16.717 -12.674 274 H LEU 49 HN LEU 49 31.978 19.763 -12.351 275 HA LEU 49 HA LEU 49 29.880 18.462 -13.752 276 HB2 LEU 49 HB2 LEU 49 30.099 21.175 -12.428 277 HB3 LEU 49 HB1 LEU 49 28.607 20.614 -13.172 278 HG LEU 49 HG LEU 49 29.999 19.051 -10.961 279 HD11 LEU 49 HD11 LEU 49 27.758 21.061 -10.611 280 HD12 LEU 49 HD12 LEU 49 29.425 21.244 -10.052 281 HD13 LEU 49 HD13 LEU 49 28.404 19.983 -9.368 282 HD21 LEU 49 HD21 LEU 49 27.160 18.932 -12.032 283 HD22 LEU 49 HD22 LEU 49 27.815 17.952 -10.714 284 HD23 LEU 49 HD23 LEU 49 28.442 17.760 -12.348 285 H GLU 50 HN GLU 50 32.132 20.962 -14.732 286 HA GLU 50 HA GLU 50 30.753 21.784 -17.115 287 HB2 GLU 50 HB2 GLU 50 33.673 21.970 -16.269 288 HB3 GLU 50 HB1 GLU 50 33.093 22.606 -17.807 289 HG2 GLU 50 HG2 GLU 50 31.852 23.503 -15.196 290 HG3 GLU 50 HG1 GLU 50 33.367 24.207 -15.756 291 H GLY 51 HN GLY 51 33.166 19.341 -16.286 292 HA2 GLY 51 HA2 GLY 51 33.557 18.338 -18.961 293 HA3 GLY 51 HA1 GLY 51 34.160 17.640 -17.467 294 H LYS 52 HN LYS 52 31.148 17.760 -16.535 295 HA LYS 52 HA LYS 52 30.381 15.166 -17.771 296 HB2 LYS 52 HB2 LYS 52 29.481 16.170 -15.032 297 HB3 LYS 52 HB1 LYS 52 29.276 14.554 -15.704 298 HG2 LYS 52 HG2 LYS 52 31.869 15.843 -14.831 299 HG3 LYS 52 HG1 LYS 52 31.008 14.556 -14.002 300 HD2 LYS 52 HD2 LYS 52 31.590 12.955 -15.684 301 HD3 LYS 52 HD1 LYS 52 32.132 14.208 -16.807 302 HE2 LYS 52 HE2 LYS 52 34.021 14.750 -15.322 303 HE3 LYS 52 HE1 LYS 52 33.460 13.561 -14.147 304 HZ1 LYS 52 HZ1 LYS 52 34.268 12.875 -16.915 305 HZ2 LYS 52 HZ2 LYS 52 33.953 11.806 -15.635 306 HZ3 LYS 52 HZ3 LYS 52 35.306 12.822 -15.580 307 H ASN 53 HN ASN 53 29.649 18.209 -18.310 308 HA ASN 53 HA ASN 53 27.960 19.303 -19.350 309 HB2 ASN 53 HB2 ASN 53 27.874 17.189 -20.689 310 HB3 ASN 53 HB1 ASN 53 26.702 16.524 -19.577 311 HD21 ASN 53 HD21 ASN 53 24.544 17.113 -19.781 312 HD22 ASN 53 HD22 ASN 53 23.951 18.076 -21.089 313 H TRP 54 HN TRP 54 27.940 18.799 -16.432 314 HA TRP 54 HA TRP 54 26.862 19.321 -14.546 315 HB2 TRP 54 HB2 TRP 54 24.905 20.684 -16.432 316 HB3 TRP 54 HB1 TRP 54 24.828 20.824 -14.677 317 HD1 TRP 54 HD1 TRP 54 26.950 21.958 -17.667 318 HE1 TRP 54 HE1 TRP 54 28.515 23.840 -16.896 319 HE3 TRP 54 HE3 TRP 54 26.029 21.763 -12.643 320 HZ2 TRP 54 HZ2 TRP 54 29.264 25.078 -14.489 321 HZ3 TRP 54 HZ3 TRP 54 27.217 23.332 -11.158 322 HH2 TRP 54 HH2 TRP 54 28.813 24.959 -12.063 323 H ASP 55 HN ASP 55 26.130 16.893 -16.248 324 HA ASP 55 HA ASP 55 23.698 15.934 -15.076 325 HB2 ASP 55 HB2 ASP 55 26.061 14.525 -16.397 326 HB3 ASP 55 HB1 ASP 55 24.700 13.637 -15.712 327 H LEU 56 HN LEU 56 23.668 16.231 -12.983 328 HA LEU 56 HA LEU 56 25.631 16.318 -11.075 329 HB2 LEU 56 HB2 LEU 56 23.318 17.045 -10.704 330 HB3 LEU 56 HB1 LEU 56 22.747 15.385 -10.828 331 HG LEU 56 HG LEU 56 24.059 14.844 -8.732 332 HD11 LEU 56 HD11 LEU 56 25.696 16.672 -8.783 333 HD12 LEU 56 HD12 LEU 56 24.792 16.693 -7.270 334 HD13 LEU 56 HD13 LEU 56 24.414 17.864 -8.538 335 HD21 LEU 56 HD21 LEU 56 22.415 15.857 -7.200 336 HD22 LEU 56 HD22 LEU 56 21.660 15.189 -8.645 337 HD23 LEU 56 HD23 LEU 56 21.876 16.939 -8.489 338 H THR 57 HN THR 57 23.672 13.494 -11.984 339 HA THR 57 HA THR 57 24.649 11.654 -10.105 340 HB THR 57 HB THR 57 23.488 11.019 -12.854 341 HG1 THR 57 HG1 THR 57 21.832 12.069 -12.007 342 HG21 THR 57 HG21 THR 57 24.435 9.038 -11.708 343 HG22 THR 57 HG22 THR 57 22.672 8.952 -11.764 344 HG23 THR 57 HG23 THR 57 23.485 9.420 -10.270 345 H ALA 58 HN ALA 58 25.702 12.382 -13.402 346 HA ALA 58 HA ALA 58 27.599 10.294 -13.720 347 HB1 ALA 58 HB1 ALA 58 26.645 11.523 -15.633 348 HB2 ALA 58 HB2 ALA 58 28.409 11.588 -15.656 349 HB3 ALA 58 HB3 ALA 58 27.474 12.992 -15.117 350 H ALA 59 HN ALA 59 27.826 13.616 -12.514 351 HA ALA 59 HA ALA 59 30.698 13.726 -12.322 352 HB1 ALA 59 HB1 ALA 59 30.326 15.853 -11.157 353 HB2 ALA 59 HB2 ALA 59 28.597 15.495 -11.034 354 HB3 ALA 59 HB3 ALA 59 29.337 15.746 -12.616 355 H LEU 60 HN LEU 60 28.066 13.173 -9.983 356 HA LEU 60 HA LEU 60 29.562 13.055 -7.597 357 HB2 LEU 60 HB2 LEU 60 26.933 11.765 -8.396 358 HB3 LEU 60 HB1 LEU 60 27.586 11.631 -6.767 359 HG LEU 60 HG LEU 60 26.860 14.271 -8.111 360 HD11 LEU 60 HD11 LEU 60 24.917 14.313 -6.608 361 HD12 LEU 60 HD12 LEU 60 25.305 12.680 -6.051 362 HD13 LEU 60 HD13 LEU 60 24.850 12.960 -7.736 363 HD21 LEU 60 HD21 LEU 60 27.076 15.226 -5.859 364 HD22 LEU 60 HD22 LEU 60 28.595 14.526 -6.407 365 HD23 LEU 60 HD23 LEU 60 27.600 13.660 -5.233 366 H SER 61 HN SER 61 28.485 10.511 -9.826 367 HA SER 61 HA SER 61 29.704 8.359 -8.397 368 HB2 SER 61 HB2 SER 61 27.722 8.034 -9.877 369 HB3 SER 61 HB1 SER 61 28.726 8.390 -11.284 370 HG SER 61 HG SER 61 29.769 6.457 -9.617 371 H ASP 62 HN ASP 62 30.837 10.570 -10.887 372 HA ASP 62 HA ASP 62 33.150 9.053 -11.684 373 HB2 ASP 62 HB2 ASP 62 32.111 10.993 -13.007 374 HB3 ASP 62 HB1 ASP 62 32.845 12.089 -11.844 375 H TYR 63 HN TYR 63 32.502 11.631 -9.365 376 HA TYR 63 HA TYR 63 35.118 12.135 -8.471 377 HB2 TYR 63 HB2 TYR 63 33.291 13.727 -8.117 378 HB3 TYR 63 HB1 TYR 63 32.440 12.580 -7.094 379 HD1 TYR 63 HD2 TYR 63 35.410 14.833 -7.271 380 HD2 TYR 63 HD1 TYR 63 33.050 12.312 -4.745 381 HE1 TYR 63 HE2 TYR 63 36.562 15.727 -5.289 382 HE2 TYR 63 HE1 TYR 63 34.209 13.199 -2.775 383 HH TYR 63 HH TYR 63 36.143 15.963 -2.853 384 H GLU 64 HN GLU 64 32.515 10.105 -7.057 385 HA GLU 64 HA GLU 64 34.113 9.259 -4.851 386 HB2 GLU 64 HB2 GLU 64 32.299 7.686 -4.326 387 HB3 GLU 64 HB1 GLU 64 31.689 9.295 -4.653 388 HG2 GLU 64 HG2 GLU 64 30.108 7.960 -5.703 389 HG3 GLU 64 HG1 GLU 64 31.167 8.386 -7.041 390 H GLN 65 HN GLN 65 33.539 7.970 -8.091 391 HA GLN 65 HA GLN 65 34.745 5.428 -7.757 392 HB2 GLN 65 HB2 GLN 65 33.328 6.023 -9.705 393 HB3 GLN 65 HB1 GLN 65 34.569 7.123 -10.285 394 HG2 GLN 65 HG2 GLN 65 34.565 5.008 -11.536 395 HG3 GLN 65 HG1 GLN 65 36.092 5.244 -10.683 396 HE21 GLN 65 HE21 GLN 65 36.635 3.847 -8.997 397 HE22 GLN 65 HE22 GLN 65 35.768 2.396 -8.663 398 H LEU 66 HN LEU 66 36.157 8.588 -8.803 399 HA LEU 66 HA LEU 66 38.775 7.487 -9.212 400 HB2 LEU 66 HB2 LEU 66 39.581 9.792 -9.500 401 HB3 LEU 66 HB1 LEU 66 38.155 9.462 -10.456 402 HG LEU 66 HG LEU 66 36.862 10.701 -8.522 403 HD11 LEU 66 HD11 LEU 66 38.659 10.901 -6.899 404 HD12 LEU 66 HD12 LEU 66 38.113 12.497 -7.410 405 HD13 LEU 66 HD13 LEU 66 39.628 11.839 -8.040 406 HD21 LEU 66 HD21 LEU 66 37.157 12.874 -9.649 407 HD22 LEU 66 HD22 LEU 66 36.993 11.554 -10.805 408 HD23 LEU 66 HD23 LEU 66 38.585 12.248 -10.485 409 H ARG 67 HN ARG 67 37.064 8.545 -6.400 410 HA ARG 67 HA ARG 67 39.448 8.670 -4.729 411 HB2 ARG 67 HB2 ARG 67 36.492 8.701 -3.993 412 HB3 ARG 67 HB1 ARG 67 37.808 8.829 -2.822 413 HG2 ARG 67 HG2 ARG 67 38.581 10.886 -4.187 414 HG3 ARG 67 HG1 ARG 67 36.992 10.814 -4.954 415 HD2 ARG 67 HD2 ARG 67 36.914 12.396 -3.124 416 HD3 ARG 67 HD1 ARG 67 35.942 10.988 -2.693 417 HE ARG 67 HE ARG 67 38.148 10.282 -1.489 418 HH11 ARG 67 HH11 ARG 67 36.901 13.575 -1.633 419 HH12 ARG 67 HH12 ARG 67 37.570 14.007 -0.095 420 HH21 ARG 67 HH21 ARG 67 39.038 10.879 0.494 421 HH22 ARG 67 HH22 ARG 67 38.799 12.484 1.102 422 H GLN 68 HN GLN 68 36.905 6.296 -5.449 423 HA GLN 68 HA GLN 68 37.541 4.401 -3.418 424 HB2 GLN 68 HB2 GLN 68 36.100 4.075 -6.086 425 HB3 GLN 68 HB1 GLN 68 36.335 2.732 -4.973 426 HG2 GLN 68 HG2 GLN 68 34.736 5.254 -4.439 427 HG3 GLN 68 HG1 GLN 68 34.088 3.648 -4.754 428 HE21 GLN 68 HE21 GLN 68 35.566 5.736 -2.400 429 HE22 GLN 68 HE22 GLN 68 35.366 4.693 -1.038 430 H VAL 69 HN VAL 69 38.425 4.701 -6.827 431 HA VAL 69 HA VAL 69 40.087 3.960 -8.134 432 HB VAL 69 HB VAL 69 41.618 3.474 -5.534 433 HG11 VAL 69 HG11 VAL 69 42.702 3.800 -8.359 434 HG12 VAL 69 HG12 VAL 69 42.687 2.302 -7.422 435 HG13 VAL 69 HG13 VAL 69 43.674 3.665 -6.889 436 HG21 VAL 69 HG21 VAL 69 40.874 5.815 -5.693 437 HG22 VAL 69 HG22 VAL 69 41.581 5.949 -7.308 438 HG23 VAL 69 HG23 VAL 69 42.625 5.705 -5.905 439 H HIS 70 HN HIS 70 39.742 2.121 -9.269 440 HA HIS 70 HA HIS 70 38.973 -0.372 -8.123 441 HB2 HIS 70 HB2 HIS 70 39.885 0.361 -10.933 442 HB3 HIS 70 HB1 HIS 70 39.384 -1.271 -10.498 443 HD1 HIS 70 HD1 HIS 70 37.968 0.996 -12.452 444 HD2 HIS 70 HD2 HIS 70 36.664 -0.486 -8.792 445 HE1 HIS 70 HE1 HIS 70 35.475 1.309 -12.447 446 HE2 HIS 70 HE2 HIS 70 34.757 0.631 -10.134 447 H THR 71 HN THR 71 42.093 0.978 -8.882 448 HA THR 71 HA THR 71 43.654 -1.431 -8.733 449 HB THR 71 HB THR 71 44.525 1.486 -8.410 450 HG1 THR 71 HG1 THR 71 43.446 0.580 -10.471 451 HG21 THR 71 HG21 THR 71 46.293 -0.039 -7.623 452 HG22 THR 71 HG22 THR 71 46.757 0.697 -9.160 453 HG23 THR 71 HG23 THR 71 46.180 -0.972 -9.114 454 H ALA 72 HN ALA 72 42.234 0.710 -6.390 455 HA ALA 72 HA ALA 72 43.890 0.001 -4.131 456 HB1 ALA 72 HB1 ALA 72 42.207 1.215 -2.794 457 HB2 ALA 72 HB2 ALA 72 41.147 1.318 -4.203 458 HB3 ALA 72 HB3 ALA 72 42.698 2.159 -4.201 459 H ASN 73 HN ASN 73 42.811 -0.974 -2.148 460 HA ASN 73 HA ASN 73 41.558 -3.508 -2.877 461 HB2 ASN 73 HB2 ASN 73 41.988 -4.137 -0.477 462 HB3 ASN 73 HB1 ASN 73 43.432 -3.708 -1.380 463 HD21 ASN 73 HD21 ASN 73 41.310 -2.811 1.235 464 HD22 ASN 73 HD22 ASN 73 42.325 -1.586 1.915 465 H LEU 74 HN LEU 74 39.479 -2.849 -3.480 466 HA LEU 74 HA LEU 74 37.690 -1.469 -1.706 467 HB2 LEU 74 HB2 LEU 74 37.065 -3.233 -4.123 468 HB3 LEU 74 HB1 LEU 74 35.853 -2.341 -3.228 469 HG LEU 74 HG LEU 74 36.243 -1.086 -5.190 470 HD11 LEU 74 HD11 LEU 74 37.106 1.051 -4.441 471 HD12 LEU 74 HD12 LEU 74 37.867 0.284 -3.044 472 HD13 LEU 74 HD13 LEU 74 36.107 0.302 -3.195 473 HD21 LEU 74 HD21 LEU 74 38.423 -0.394 -6.036 474 HD22 LEU 74 HD22 LEU 74 38.297 -2.149 -5.942 475 HD23 LEU 74 HD23 LEU 74 39.229 -1.270 -4.727 476 HA PRO 75 HA PRO 75 36.731 -4.778 1.214 477 HB2 PRO 75 HB2 PRO 75 33.943 -3.617 1.144 478 HB3 PRO 75 HB1 PRO 75 34.976 -3.973 2.534 479 HG2 PRO 75 HG2 PRO 75 34.647 -1.456 1.723 480 HG3 PRO 75 HG1 PRO 75 36.246 -2.019 2.258 481 HD2 PRO 75 HD2 PRO 75 35.230 -1.568 -0.544 482 HD3 PRO 75 HD1 PRO 75 36.834 -1.220 0.144 483 H HIS 76 HN HIS 76 34.125 -4.073 -1.133 484 HA HIS 76 HA HIS 76 34.228 -6.781 -2.244 485 HB2 HIS 76 HB2 HIS 76 31.626 -5.589 -1.149 486 HB3 HIS 76 HB1 HIS 76 31.715 -7.018 -2.174 487 HD1 HIS 76 HD1 HIS 76 31.978 -5.921 1.341 488 HD2 HIS 76 HD2 HIS 76 32.915 -9.315 -0.885 489 HE1 HIS 76 HE1 HIS 76 32.439 -7.734 3.026 490 HE2 HIS 76 HE2 HIS 76 33.160 -9.719 1.665 491 H VAL 77 HN VAL 77 33.100 -6.901 -4.347 492 HA VAL 77 HA VAL 77 33.294 -4.488 -5.903 493 HB VAL 77 HB VAL 77 33.833 -6.644 -6.944 494 HG11 VAL 77 HG11 VAL 77 32.278 -8.121 -5.737 495 HG12 VAL 77 HG12 VAL 77 32.129 -8.350 -7.480 496 HG13 VAL 77 HG13 VAL 77 30.910 -7.418 -6.608 497 HG21 VAL 77 HG21 VAL 77 33.063 -4.849 -8.453 498 HG22 VAL 77 HG22 VAL 77 31.391 -5.390 -8.270 499 HG23 VAL 77 HG23 VAL 77 32.574 -6.430 -9.071 500 H PHE 78 HN PHE 78 31.656 -3.148 -6.645 501 HA PHE 78 HA PHE 78 29.162 -3.103 -5.215 502 HB2 PHE 78 HB2 PHE 78 30.099 -1.400 -7.576 503 HB3 PHE 78 HB1 PHE 78 28.646 -1.096 -6.628 504 HD1 PHE 78 HD2 PHE 78 28.800 -0.218 -4.326 505 HD2 PHE 78 HD1 PHE 78 32.329 -0.915 -6.643 506 HE1 PHE 78 HE2 PHE 78 30.115 1.119 -2.735 507 HE2 PHE 78 HE1 PHE 78 33.637 0.423 -5.043 508 HZ PHE 78 HZ PHE 78 32.532 1.441 -3.091 509 H ASN 79 HN ASN 79 29.829 -3.285 -8.747 510 HA ASN 79 HA ASN 79 28.098 -5.559 -9.114 511 HB2 ASN 79 HB2 ASN 79 26.453 -3.631 -9.012 512 HB3 ASN 79 HB1 ASN 79 27.251 -2.922 -10.412 513 HD21 ASN 79 HD21 ASN 79 25.405 -3.039 -11.705 514 HD22 ASN 79 HD22 ASN 79 24.761 -4.533 -12.286 515 H GLU 80 HN GLU 80 28.165 -6.372 -11.296 516 HA GLU 80 HA GLU 80 30.192 -5.279 -13.141 517 HB2 GLU 80 HB2 GLU 80 30.774 -7.457 -11.416 518 HB3 GLU 80 HB1 GLU 80 30.333 -8.246 -12.918 519 HG2 GLU 80 HG2 GLU 80 32.566 -6.224 -12.518 520 HG3 GLU 80 HG1 GLU 80 32.745 -7.957 -12.759 521 H GLY 81 HN GLY 81 29.976 -6.263 -15.332 522 HA2 GLY 81 HA2 GLY 81 27.278 -6.786 -16.188 523 HA3 GLY 81 HA1 GLY 81 28.733 -6.885 -17.174 524 H ARG 82 HN ARG 82 26.727 -8.598 -14.860 525 HA ARG 82 HA ARG 82 28.200 -11.066 -14.843 526 HB2 ARG 82 HB2 ARG 82 25.361 -10.493 -13.905 527 HB3 ARG 82 HB1 ARG 82 26.334 -11.893 -13.463 528 HG2 ARG 82 HG2 ARG 82 27.807 -10.566 -12.120 529 HG3 ARG 82 HG1 ARG 82 27.169 -9.058 -12.780 530 HD2 ARG 82 HD2 ARG 82 24.971 -9.564 -11.714 531 HD3 ARG 82 HD1 ARG 82 25.679 -11.007 -10.981 532 HE ARG 82 HE ARG 82 27.323 -8.963 -10.185 533 HH11 ARG 82 HH11 ARG 82 23.856 -9.518 -9.879 534 HH12 ARG 82 HH12 ARG 82 23.739 -8.640 -8.386 535 HH21 ARG 82 HH21 ARG 82 27.143 -7.827 -8.251 536 HH22 ARG 82 HH22 ARG 82 25.603 -7.695 -7.463 537 H GLY 83 HN GLY 83 27.449 -13.117 -15.626 538 HA2 GLY 83 HA2 GLY 83 25.167 -13.308 -17.418 539 HA3 GLY 83 HA1 GLY 83 26.740 -13.466 -18.203 Start of MODEL 9 1 H1 SER 11 HT1 SER 11 25.894 -0.271 -5.713 2 H2 SER 11 HT2 SER 11 25.244 -0.159 -4.160 3 H3 SER 11 HT3 SER 11 25.258 1.193 -5.166 4 HA SER 11 HA SER 11 23.743 0.204 -6.659 5 HB2 SER 11 HB2 SER 11 23.837 -2.189 -4.782 6 HB3 SER 11 HB1 SER 11 22.758 -2.030 -6.174 7 HG SER 11 HG SER 11 24.348 -2.869 -7.255 8 H ALA 12 HN ALA 12 22.646 1.991 -5.957 9 HA ALA 12 HA ALA 12 20.560 1.517 -3.906 10 HB1 ALA 12 HB1 ALA 12 20.698 3.891 -3.203 11 HB2 ALA 12 HB2 ALA 12 22.067 4.140 -4.289 12 HB3 ALA 12 HB3 ALA 12 22.228 3.056 -2.907 13 H GLU 13 HN GLU 13 21.336 4.206 -6.149 14 HA GLU 13 HA GLU 13 20.187 5.280 -7.774 15 HB2 GLU 13 HB2 GLU 13 19.522 2.410 -8.587 16 HB3 GLU 13 HB1 GLU 13 19.368 3.816 -9.639 17 HG2 GLU 13 HG2 GLU 13 21.756 4.173 -9.648 18 HG3 GLU 13 HG1 GLU 13 22.007 2.947 -8.405 19 H CYS 14 HN CYS 14 18.698 6.268 -6.304 20 HA CYS 14 HA CYS 14 16.357 4.965 -5.347 21 HB2 CYS 14 HB2 CYS 14 15.790 7.285 -4.476 22 HB3 CYS 14 HB1 CYS 14 17.364 6.666 -3.984 23 HG CYS 14 HG CYS 14 18.266 9.052 -4.489 24 H TRP 15 HN TRP 15 15.141 4.234 -7.078 25 HA TRP 15 HA TRP 15 13.409 4.199 -8.513 26 HB2 TRP 15 HB2 TRP 15 13.013 7.081 -7.592 27 HB3 TRP 15 HB1 TRP 15 11.866 6.213 -8.606 28 HD1 TRP 15 HD1 TRP 15 13.317 6.123 -5.023 29 HE1 TRP 15 HE1 TRP 15 11.654 4.895 -3.508 30 HE3 TRP 15 HE3 TRP 15 9.933 4.619 -8.553 31 HZ2 TRP 15 HZ2 TRP 15 9.239 3.484 -3.742 32 HZ3 TRP 15 HZ3 TRP 15 7.965 3.328 -7.821 33 HH2 TRP 15 HH2 TRP 15 7.629 2.774 -5.461 34 H ALA 16 HN ALA 16 12.390 5.984 -10.373 35 HA ALA 16 HA ALA 16 14.663 6.625 -12.154 36 HB1 ALA 16 HB1 ALA 16 13.331 5.793 -14.056 37 HB2 ALA 16 HB2 ALA 16 12.027 5.319 -12.963 38 HB3 ALA 16 HB3 ALA 16 13.590 4.507 -12.875 39 H ALA 17 HN ALA 17 14.510 8.753 -11.462 40 HA ALA 17 HA ALA 17 12.263 10.411 -11.350 41 HB1 ALA 17 HB1 ALA 17 13.841 12.290 -11.373 42 HB2 ALA 17 HB2 ALA 17 15.125 11.230 -11.966 43 HB3 ALA 17 HB3 ALA 17 14.453 10.986 -10.354 44 H LEU 18 HN LEU 18 11.833 12.328 -12.726 45 HA LEU 18 HA LEU 18 10.907 11.575 -15.252 46 HB2 LEU 18 HB2 LEU 18 11.356 14.378 -14.151 47 HB3 LEU 18 HB1 LEU 18 10.392 14.004 -15.574 48 HG LEU 18 HG LEU 18 9.757 13.094 -12.730 49 HD11 LEU 18 HD11 LEU 18 8.396 15.224 -14.412 50 HD12 LEU 18 HD12 LEU 18 9.407 15.499 -12.988 51 HD13 LEU 18 HD13 LEU 18 7.870 14.655 -12.822 52 HD21 LEU 18 HD21 LEU 18 8.971 11.453 -14.371 53 HD22 LEU 18 HD22 LEU 18 8.129 12.719 -15.270 54 HD23 LEU 18 HD23 LEU 18 7.612 12.299 -13.633 55 H LEU 19 HN LEU 19 12.059 11.119 -16.994 56 HA LEU 19 HA LEU 19 14.727 12.015 -17.519 57 HB2 LEU 19 HB2 LEU 19 13.822 9.763 -18.158 58 HB3 LEU 19 HB1 LEU 19 12.772 10.538 -19.332 59 HG LEU 19 HG LEU 19 14.772 11.295 -20.614 60 HD11 LEU 19 HD11 LEU 19 16.388 11.477 -18.784 61 HD12 LEU 19 HD12 LEU 19 17.011 10.447 -20.067 62 HD13 LEU 19 HD13 LEU 19 16.390 9.722 -18.581 63 HD21 LEU 19 HD21 LEU 19 14.730 8.297 -20.096 64 HD22 LEU 19 HD22 LEU 19 15.417 9.097 -21.514 65 HD23 LEU 19 HD23 LEU 19 13.682 9.173 -21.217 66 H HIS 20 HN HIS 20 11.534 13.104 -18.436 67 HA HIS 20 HA HIS 20 12.308 14.887 -20.556 68 HB2 HIS 20 HB2 HIS 20 9.821 14.691 -18.813 69 HB3 HIS 20 HB1 HIS 20 10.016 15.969 -20.009 70 HD1 HIS 20 HD1 HIS 20 8.921 12.518 -19.626 71 HD2 HIS 20 HD2 HIS 20 10.137 14.971 -22.747 72 HE1 HIS 20 HE1 HIS 20 8.084 11.407 -21.708 73 HE2 HIS 20 HE2 HIS 20 8.674 13.001 -23.561 74 H ASP 21 HN ASP 21 12.147 17.190 -20.420 75 HA ASP 21 HA ASP 21 12.406 19.287 -19.699 76 HB2 ASP 21 HB2 ASP 21 10.737 18.582 -17.867 77 HB3 ASP 21 HB1 ASP 21 12.123 18.385 -16.806 78 HA PRO 22 HA PRO 22 16.881 18.834 -18.652 79 HB2 PRO 22 HB2 PRO 22 17.871 20.267 -20.726 80 HB3 PRO 22 HB1 PRO 22 17.347 18.588 -20.937 81 HG2 PRO 22 HG2 PRO 22 15.863 21.133 -21.596 82 HG3 PRO 22 HG1 PRO 22 16.038 19.665 -22.579 83 HD2 PRO 22 HD2 PRO 22 13.812 20.208 -21.038 84 HD3 PRO 22 HD1 PRO 22 14.338 18.556 -21.443 85 H MET 23 HN MET 23 14.603 21.361 -18.797 86 HA MET 23 HA MET 23 16.316 23.640 -18.376 87 HB2 MET 23 HB2 MET 23 14.174 23.824 -19.573 88 HB3 MET 23 HB1 MET 23 13.296 23.298 -18.144 89 HG2 MET 23 HG2 MET 23 13.919 25.353 -16.974 90 HG3 MET 23 HG1 MET 23 14.901 25.864 -18.346 91 HE1 MET 23 HE1 MET 23 10.283 25.492 -18.575 92 HE2 MET 23 HE2 MET 23 11.212 25.050 -17.143 93 HE3 MET 23 HE3 MET 23 11.362 24.098 -18.621 94 H THR 24 HN THR 24 14.708 21.338 -16.324 95 HA THR 24 HA THR 24 14.577 22.847 -13.928 96 HB THR 24 HB THR 24 13.207 20.824 -14.271 97 HG1 THR 24 HG1 THR 24 14.435 21.506 -12.048 98 HG21 THR 24 HG21 THR 24 15.785 19.245 -13.954 99 HG22 THR 24 HG22 THR 24 14.833 19.379 -15.438 100 HG23 THR 24 HG23 THR 24 14.159 18.565 -14.023 101 H LEU 25 HN LEU 25 17.232 21.315 -15.515 102 HA LEU 25 HA LEU 25 19.013 21.056 -13.309 103 HB2 LEU 25 HB2 LEU 25 19.227 19.964 -15.602 104 HB3 LEU 25 HB1 LEU 25 19.756 21.511 -16.225 105 HG LEU 25 HG LEU 25 21.251 20.074 -13.985 106 HD11 LEU 25 HD11 LEU 25 22.819 19.197 -15.660 107 HD12 LEU 25 HD12 LEU 25 21.796 19.820 -16.959 108 HD13 LEU 25 HD13 LEU 25 21.193 18.552 -15.888 109 HD21 LEU 25 HD21 LEU 25 22.196 22.239 -15.909 110 HD22 LEU 25 HD22 LEU 25 23.193 21.430 -14.696 111 HD23 LEU 25 HD23 LEU 25 21.848 22.448 -14.191 112 H ASP 26 HN ASP 26 19.366 22.749 -12.068 113 HA ASP 26 HA ASP 26 20.001 25.400 -13.214 114 HB2 ASP 26 HB2 ASP 26 18.174 25.378 -11.516 115 HB3 ASP 26 HB1 ASP 26 19.260 24.621 -10.353 116 H MET 27 HN MET 27 22.139 25.849 -13.341 117 HA MET 27 HA MET 27 24.192 24.097 -12.690 118 HB2 MET 27 HB2 MET 27 24.178 27.046 -13.349 119 HB3 MET 27 HB1 MET 27 25.692 26.262 -12.920 120 HG2 MET 27 HG2 MET 27 25.349 26.406 -15.349 121 HG3 MET 27 HG1 MET 27 25.517 24.749 -14.781 122 HE1 MET 27 HE1 MET 27 23.116 24.238 -17.755 123 HE2 MET 27 HE2 MET 27 24.648 23.798 -16.991 124 HE3 MET 27 HE3 MET 27 24.431 25.408 -17.683 125 H ASP 28 HN ASP 28 23.078 26.921 -10.831 126 HA ASP 28 HA ASP 28 25.053 26.843 -8.779 127 HB2 ASP 28 HB2 ASP 28 23.768 28.875 -9.213 128 HB3 ASP 28 HB1 ASP 28 22.255 28.050 -8.865 129 H ALA 29 HN ALA 29 21.846 25.350 -9.105 130 HA ALA 29 HA ALA 29 21.651 24.337 -6.431 131 HB1 ALA 29 HB1 ALA 29 19.653 24.698 -7.830 132 HB2 ALA 29 HB2 ALA 29 19.735 23.032 -7.254 133 HB3 ALA 29 HB3 ALA 29 20.171 23.417 -8.925 134 H VAL 30 HN VAL 30 22.663 22.892 -9.519 135 HA VAL 30 HA VAL 30 23.094 20.253 -8.590 136 HB VAL 30 HB VAL 30 24.307 21.639 -11.032 137 HG11 VAL 30 HG11 VAL 30 24.087 18.663 -10.425 138 HG12 VAL 30 HG12 VAL 30 25.577 19.607 -10.446 139 HG13 VAL 30 HG13 VAL 30 24.670 19.362 -11.938 140 HG21 VAL 30 HG21 VAL 30 21.814 19.897 -10.842 141 HG22 VAL 30 HG22 VAL 30 22.496 20.572 -12.326 142 HG23 VAL 30 HG23 VAL 30 21.837 21.644 -11.092 143 H LEU 31 HN LEU 31 25.128 23.109 -8.867 144 HA LEU 31 HA LEU 31 27.639 22.000 -8.166 145 HB2 LEU 31 HB2 LEU 31 27.359 24.232 -9.232 146 HB3 LEU 31 HB1 LEU 31 26.585 24.833 -7.778 147 HG LEU 31 HG LEU 31 28.735 24.524 -6.521 148 HD11 LEU 31 HD11 LEU 31 29.708 22.706 -7.814 149 HD12 LEU 31 HD12 LEU 31 30.817 24.073 -7.746 150 HD13 LEU 31 HD13 LEU 31 29.890 23.762 -9.218 151 HD21 LEU 31 HD21 LEU 31 28.993 26.251 -9.009 152 HD22 LEU 31 HD22 LEU 31 29.949 26.413 -7.533 153 HD23 LEU 31 HD23 LEU 31 28.214 26.717 -7.495 154 H SER 32 HN SER 32 25.040 23.484 -6.281 155 HA SER 32 HA SER 32 26.352 23.496 -3.759 156 HB2 SER 32 HB2 SER 32 24.427 24.973 -4.418 157 HB3 SER 32 HB1 SER 32 23.358 23.574 -4.343 158 HG SER 32 HG SER 32 24.126 25.180 -2.379 159 H ASP 33 HN ASP 33 24.029 21.273 -5.281 160 HA ASP 33 HA ASP 33 23.732 19.449 -3.126 161 HB2 ASP 33 HB2 ASP 33 23.077 19.357 -6.083 162 HB3 ASP 33 HB1 ASP 33 22.963 17.878 -5.129 163 H PHE 34 HN PHE 34 25.911 19.568 -5.908 164 HA PHE 34 HA PHE 34 27.097 17.027 -5.598 165 HB2 PHE 34 HB2 PHE 34 27.403 18.377 -7.661 166 HB3 PHE 34 HB1 PHE 34 28.356 19.561 -6.768 167 HD1 PHE 34 HD1 PHE 34 28.355 16.178 -8.246 168 HD2 PHE 34 HD2 PHE 34 30.667 19.026 -6.059 169 HE1 PHE 34 HE1 PHE 34 30.387 14.874 -8.654 170 HE2 PHE 34 HE2 PHE 34 32.699 17.713 -6.500 171 HZ PHE 34 HZ PHE 34 32.553 15.639 -7.793 172 H VAL 35 HN VAL 35 28.311 20.237 -4.584 173 HA VAL 35 HA VAL 35 30.551 19.450 -3.127 174 HB VAL 35 HB VAL 35 28.774 21.915 -2.855 175 HG11 VAL 35 HG11 VAL 35 31.468 21.475 -1.511 176 HG12 VAL 35 HG12 VAL 35 29.915 21.632 -0.692 177 HG13 VAL 35 HG13 VAL 35 30.592 23.006 -1.566 178 HG21 VAL 35 HG21 VAL 35 29.964 21.690 -5.002 179 HG22 VAL 35 HG22 VAL 35 31.501 21.521 -4.152 180 HG23 VAL 35 HG23 VAL 35 30.613 23.047 -4.074 181 H ARG 36 HN ARG 36 27.209 19.794 -2.052 182 HA ARG 36 HA ARG 36 27.612 19.490 0.738 183 HB2 ARG 36 HB2 ARG 36 25.553 20.454 -0.347 184 HB3 ARG 36 HB1 ARG 36 25.121 18.839 -0.900 185 HG2 ARG 36 HG2 ARG 36 24.997 18.115 1.512 186 HG3 ARG 36 HG1 ARG 36 25.280 19.794 1.983 187 HD2 ARG 36 HD2 ARG 36 22.903 19.325 2.080 188 HD3 ARG 36 HD1 ARG 36 23.206 20.453 0.756 189 HE ARG 36 HE ARG 36 22.680 17.550 0.440 190 HH11 ARG 36 HH11 ARG 36 22.472 20.803 -0.881 191 HH12 ARG 36 HH12 ARG 36 21.535 20.310 -2.256 192 HH21 ARG 36 HH21 ARG 36 21.427 16.933 -1.327 193 HH22 ARG 36 HH22 ARG 36 20.933 18.117 -2.493 194 H SER 37 HN SER 37 26.906 17.166 -1.874 195 HA SER 37 HA SER 37 26.467 14.922 -0.085 196 HB2 SER 37 HB2 SER 37 26.628 15.014 -3.135 197 HB3 SER 37 HB1 SER 37 26.115 13.617 -2.186 198 HG SER 37 HG SER 37 24.844 16.162 -2.142 199 H THR 38 HN THR 38 29.108 16.100 -2.091 200 HA THR 38 HA THR 38 30.673 13.621 -1.839 201 HB THR 38 HB THR 38 32.217 14.679 -3.486 202 HG1 THR 38 HG1 THR 38 30.592 16.732 -4.224 203 HG21 THR 38 HG21 THR 38 30.719 14.667 -5.436 204 HG22 THR 38 HG22 THR 38 29.312 14.789 -4.377 205 HG23 THR 38 HG23 THR 38 30.322 13.340 -4.341 206 H GLY 39 HN GLY 39 30.497 16.833 -0.547 207 HA2 GLY 39 HA2 GLY 39 31.753 17.962 1.012 208 HA3 GLY 39 HA1 GLY 39 32.721 16.511 1.248 209 H ALA 40 HN ALA 40 32.306 17.854 -1.946 210 HA ALA 40 HA ALA 40 35.159 18.194 -2.304 211 HB1 ALA 40 HB1 ALA 40 34.598 18.689 -4.650 212 HB2 ALA 40 HB2 ALA 40 32.880 18.762 -4.244 213 HB3 ALA 40 HB3 ALA 40 33.756 17.237 -4.105 214 H GLU 41 HN GLU 41 35.917 20.193 -3.567 215 HA GLU 41 HA GLU 41 35.050 22.655 -2.187 216 HB2 GLU 41 HB2 GLU 41 37.162 23.562 -2.753 217 HB3 GLU 41 HB1 GLU 41 37.537 21.856 -2.513 218 HG2 GLU 41 HG2 GLU 41 37.218 21.648 -5.075 219 HG3 GLU 41 HG1 GLU 41 37.333 23.411 -5.092 220 HA PRO 42 HA PRO 42 32.490 24.175 -5.498 221 HB2 PRO 42 HB2 PRO 42 33.235 26.834 -5.787 222 HB3 PRO 42 HB1 PRO 42 32.300 26.227 -4.410 223 HG2 PRO 42 HG2 PRO 42 35.299 26.618 -4.626 224 HG3 PRO 42 HG1 PRO 42 34.204 27.197 -3.360 225 HD2 PRO 42 HD2 PRO 42 35.605 25.010 -2.922 226 HD3 PRO 42 HD1 PRO 42 33.884 25.022 -2.460 227 H GLY 43 HN GLY 43 35.947 24.915 -5.962 228 HA2 GLY 43 HA2 GLY 43 35.850 25.528 -8.746 229 HA3 GLY 43 HA1 GLY 43 37.284 25.106 -7.819 230 H LEU 44 HN LEU 44 36.918 22.638 -7.001 231 HA LEU 44 HA LEU 44 37.423 20.907 -9.154 232 HB2 LEU 44 HB2 LEU 44 38.165 20.459 -6.847 233 HB3 LEU 44 HB1 LEU 44 36.500 20.286 -6.324 234 HG LEU 44 HG LEU 44 36.285 18.229 -7.737 235 HD11 LEU 44 HD11 LEU 44 38.289 17.167 -8.670 236 HD12 LEU 44 HD12 LEU 44 39.244 18.594 -8.261 237 HD13 LEU 44 HD13 LEU 44 37.944 18.709 -9.451 238 HD21 LEU 44 HD21 LEU 44 36.842 18.038 -5.359 239 HD22 LEU 44 HD22 LEU 44 38.565 18.150 -5.734 240 HD23 LEU 44 HD23 LEU 44 37.626 16.763 -6.293 241 H ALA 45 HN ALA 45 34.518 21.492 -7.259 242 HA ALA 45 HA ALA 45 32.836 19.471 -8.221 243 HB1 ALA 45 HB1 ALA 45 32.377 20.762 -6.180 244 HB2 ALA 45 HB2 ALA 45 31.008 20.858 -7.291 245 HB3 ALA 45 HB3 ALA 45 32.126 22.220 -7.137 246 H ARG 46 HN ARG 46 32.969 22.905 -9.112 247 HA ARG 46 HA ARG 46 31.136 22.932 -11.224 248 HB2 ARG 46 HB2 ARG 46 31.690 25.036 -10.324 249 HB3 ARG 46 HB1 ARG 46 33.413 24.724 -10.342 250 HG2 ARG 46 HG2 ARG 46 32.061 24.969 -13.008 251 HG3 ARG 46 HG1 ARG 46 32.192 26.440 -12.044 252 HD2 ARG 46 HD2 ARG 46 34.604 26.273 -11.977 253 HD3 ARG 46 HD1 ARG 46 34.559 24.651 -12.692 254 HE ARG 46 HE ARG 46 33.935 25.613 -14.748 255 HH11 ARG 46 HH11 ARG 46 34.853 28.096 -12.473 256 HH12 ARG 46 HH12 ARG 46 35.047 29.297 -13.706 257 HH21 ARG 46 HH21 ARG 46 34.164 27.132 -16.331 258 HH22 ARG 46 HH22 ARG 46 34.663 28.742 -15.910 259 H ASP 47 HN ASP 47 34.631 22.365 -11.231 260 HA ASP 47 HA ASP 47 35.152 22.225 -13.994 261 HB2 ASP 47 HB2 ASP 47 36.977 22.330 -12.350 262 HB3 ASP 47 HB1 ASP 47 36.478 20.803 -11.640 263 H LEU 48 HN LEU 48 34.354 19.618 -11.684 264 HA LEU 48 HA LEU 48 34.486 17.450 -13.523 265 HB2 LEU 48 HB2 LEU 48 33.076 17.644 -10.826 266 HB3 LEU 48 HB1 LEU 48 33.243 16.147 -11.734 267 HG LEU 48 HG LEU 48 35.518 17.781 -10.533 268 HD11 LEU 48 HD11 LEU 48 34.236 16.566 -8.846 269 HD12 LEU 48 HD12 LEU 48 35.847 15.879 -9.032 270 HD13 LEU 48 HD13 LEU 48 34.452 15.055 -9.737 271 HD21 LEU 48 HD21 LEU 48 35.686 15.174 -12.079 272 HD22 LEU 48 HD22 LEU 48 37.021 15.980 -11.245 273 HD23 LEU 48 HD23 LEU 48 36.257 16.756 -12.628 274 H LEU 49 HN LEU 49 31.839 19.429 -12.302 275 HA LEU 49 HA LEU 49 29.653 18.077 -13.408 276 HB2 LEU 49 HB2 LEU 49 30.048 20.974 -12.606 277 HB3 LEU 49 HB1 LEU 49 28.508 20.390 -13.226 278 HG LEU 49 HG LEU 49 29.870 19.228 -10.758 279 HD11 LEU 49 HD11 LEU 49 28.243 20.442 -9.406 280 HD12 LEU 49 HD12 LEU 49 27.604 21.234 -10.851 281 HD13 LEU 49 HD13 LEU 49 29.259 21.553 -10.325 282 HD21 LEU 49 HD21 LEU 49 27.671 18.187 -10.337 283 HD22 LEU 49 HD22 LEU 49 28.373 17.647 -11.858 284 HD23 LEU 49 HD23 LEU 49 27.068 18.835 -11.869 285 H GLU 50 HN GLU 50 31.525 20.838 -14.763 286 HA GLU 50 HA GLU 50 30.119 21.224 -17.154 287 HB2 GLU 50 HB2 GLU 50 33.084 21.581 -16.585 288 HB3 GLU 50 HB1 GLU 50 32.302 22.161 -18.054 289 HG2 GLU 50 HG2 GLU 50 30.901 23.664 -16.742 290 HG3 GLU 50 HG1 GLU 50 31.594 23.048 -15.246 291 H GLY 51 HN GLY 51 32.738 18.940 -16.447 292 HA2 GLY 51 HA2 GLY 51 33.134 17.906 -19.070 293 HA3 GLY 51 HA1 GLY 51 33.591 17.130 -17.559 294 H LYS 52 HN LYS 52 30.659 17.319 -16.706 295 HA LYS 52 HA LYS 52 29.682 14.878 -18.070 296 HB2 LYS 52 HB2 LYS 52 28.770 15.964 -15.360 297 HB3 LYS 52 HB1 LYS 52 28.499 14.353 -16.025 298 HG2 LYS 52 HG2 LYS 52 31.151 15.510 -15.139 299 HG3 LYS 52 HG1 LYS 52 30.194 14.322 -14.260 300 HD2 LYS 52 HD2 LYS 52 30.660 12.617 -15.879 301 HD3 LYS 52 HD1 LYS 52 31.299 13.781 -17.042 302 HE2 LYS 52 HE2 LYS 52 33.236 14.202 -15.600 303 HE3 LYS 52 HE1 LYS 52 32.579 13.124 -14.369 304 HZ1 LYS 52 HZ1 LYS 52 34.274 12.039 -15.659 305 HZ2 LYS 52 HZ2 LYS 52 33.428 12.322 -17.096 306 HZ3 LYS 52 HZ3 LYS 52 32.782 11.289 -15.926 307 H ASN 53 HN ASN 53 29.269 17.966 -18.657 308 HA ASN 53 HA ASN 53 27.676 19.329 -19.530 309 HB2 ASN 53 HB2 ASN 53 27.173 17.312 -20.939 310 HB3 ASN 53 HB1 ASN 53 26.007 16.768 -19.748 311 HD21 ASN 53 HD21 ASN 53 23.959 17.711 -19.704 312 HD22 ASN 53 HD22 ASN 53 23.409 18.829 -20.901 313 H TRP 54 HN TRP 54 27.950 19.216 -16.839 314 HA TRP 54 HA TRP 54 27.191 19.632 -14.764 315 HB2 TRP 54 HB2 TRP 54 25.162 21.081 -16.461 316 HB3 TRP 54 HB1 TRP 54 25.123 21.191 -14.707 317 HD1 TRP 54 HD1 TRP 54 27.349 22.201 -17.706 318 HE1 TRP 54 HE1 TRP 54 28.926 24.077 -16.927 319 HE3 TRP 54 HE3 TRP 54 26.229 22.165 -12.732 320 HZ2 TRP 54 HZ2 TRP 54 29.615 25.363 -14.519 321 HZ3 TRP 54 HZ3 TRP 54 27.385 23.741 -11.235 322 HH2 TRP 54 HH2 TRP 54 29.056 25.315 -12.112 323 H ASP 55 HN ASP 55 26.211 17.122 -16.062 324 HA ASP 55 HA ASP 55 23.710 16.535 -14.753 325 HB2 ASP 55 HB2 ASP 55 24.408 15.358 -16.856 326 HB3 ASP 55 HB1 ASP 55 25.746 14.618 -15.983 327 H LEU 56 HN LEU 56 23.570 16.282 -12.652 328 HA LEU 56 HA LEU 56 25.641 16.321 -10.795 329 HB2 LEU 56 HB2 LEU 56 23.313 16.948 -10.265 330 HB3 LEU 56 HB1 LEU 56 22.799 15.284 -10.496 331 HG LEU 56 HG LEU 56 24.232 14.622 -8.517 332 HD11 LEU 56 HD11 LEU 56 25.006 16.377 -6.967 333 HD12 LEU 56 HD12 LEU 56 24.540 17.623 -8.127 334 HD13 LEU 56 HD13 LEU 56 25.824 16.477 -8.526 335 HD21 LEU 56 HD21 LEU 56 21.822 14.914 -8.256 336 HD22 LEU 56 HD22 LEU 56 22.030 16.643 -7.958 337 HD23 LEU 56 HD23 LEU 56 22.663 15.465 -6.806 338 H THR 57 HN THR 57 23.846 13.567 -12.114 339 HA THR 57 HA THR 57 24.617 11.638 -10.198 340 HB THR 57 HB THR 57 23.570 11.145 -13.027 341 HG1 THR 57 HG1 THR 57 22.319 12.612 -11.538 342 HG21 THR 57 HG21 THR 57 23.349 9.455 -10.504 343 HG22 THR 57 HG22 THR 57 24.373 9.089 -11.897 344 HG23 THR 57 HG23 THR 57 22.616 9.077 -12.065 345 H ALA 58 HN ALA 58 25.812 12.279 -13.494 346 HA ALA 58 HA ALA 58 27.729 10.173 -13.629 347 HB1 ALA 58 HB1 ALA 58 28.542 11.319 -15.656 348 HB2 ALA 58 HB2 ALA 58 27.587 12.748 -15.242 349 HB3 ALA 58 HB3 ALA 58 26.778 11.234 -15.648 350 H ALA 59 HN ALA 59 27.825 13.495 -12.498 351 HA ALA 59 HA ALA 59 30.681 13.710 -12.255 352 HB1 ALA 59 HB1 ALA 59 30.216 15.780 -11.029 353 HB2 ALA 59 HB2 ALA 59 28.503 15.356 -10.940 354 HB3 ALA 59 HB3 ALA 59 29.249 15.690 -12.505 355 H LEU 60 HN LEU 60 28.037 12.843 -10.012 356 HA LEU 60 HA LEU 60 29.501 12.631 -7.600 357 HB2 LEU 60 HB2 LEU 60 27.060 11.052 -8.515 358 HB3 LEU 60 HB1 LEU 60 27.678 11.031 -6.871 359 HG LEU 60 HG LEU 60 26.501 13.458 -8.288 360 HD11 LEU 60 HD11 LEU 60 24.611 13.225 -6.747 361 HD12 LEU 60 HD12 LEU 60 25.315 11.749 -6.079 362 HD13 LEU 60 HD13 LEU 60 24.789 11.798 -7.765 363 HD21 LEU 60 HD21 LEU 60 26.621 14.593 -6.111 364 HD22 LEU 60 HD22 LEU 60 28.222 14.150 -6.695 365 HD23 LEU 60 HD23 LEU 60 27.458 13.200 -5.417 366 H SER 61 HN SER 61 28.714 10.278 -10.109 367 HA SER 61 HA SER 61 29.999 7.990 -9.085 368 HB2 SER 61 HB2 SER 61 29.417 8.750 -11.988 369 HB3 SER 61 HB1 SER 61 29.767 7.116 -11.408 370 HG SER 61 HG SER 61 27.430 8.354 -11.531 371 H ASP 62 HN ASP 62 31.181 10.665 -11.084 372 HA ASP 62 HA ASP 62 33.736 9.522 -11.746 373 HB2 ASP 62 HB2 ASP 62 32.618 11.280 -13.134 374 HB3 ASP 62 HB1 ASP 62 32.844 12.439 -11.829 375 H TYR 63 HN TYR 63 32.524 11.721 -9.236 376 HA TYR 63 HA TYR 63 35.038 12.462 -8.155 377 HB2 TYR 63 HB2 TYR 63 32.940 13.752 -7.710 378 HB3 TYR 63 HB1 TYR 63 32.364 12.434 -6.693 379 HD1 TYR 63 HD2 TYR 63 34.881 15.158 -6.953 380 HD2 TYR 63 HD1 TYR 63 33.309 12.101 -4.416 381 HE1 TYR 63 HE2 TYR 63 36.079 16.112 -5.031 382 HE2 TYR 63 HE1 TYR 63 34.514 13.064 -2.506 383 HH TYR 63 HH TYR 63 35.938 16.150 -2.592 384 H GLU 64 HN GLU 64 32.648 9.967 -7.139 385 HA GLU 64 HA GLU 64 34.152 8.996 -4.929 386 HB2 GLU 64 HB2 GLU 64 32.603 7.113 -4.860 387 HB3 GLU 64 HB1 GLU 64 31.697 8.585 -5.193 388 HG2 GLU 64 HG2 GLU 64 31.595 7.983 -7.587 389 HG3 GLU 64 HG1 GLU 64 32.502 6.509 -7.259 390 H GLN 65 HN GLN 65 34.189 8.270 -8.363 391 HA GLN 65 HA GLN 65 35.879 6.028 -8.447 392 HB2 GLN 65 HB2 GLN 65 34.688 6.906 -10.415 393 HB3 GLN 65 HB1 GLN 65 35.639 8.384 -10.364 394 HG2 GLN 65 HG2 GLN 65 37.689 7.005 -10.834 395 HG3 GLN 65 HG1 GLN 65 36.642 5.601 -11.027 396 HE21 GLN 65 HE21 GLN 65 35.895 8.893 -12.157 397 HE22 GLN 65 HE22 GLN 65 35.953 8.503 -13.837 398 H LEU 66 HN LEU 66 36.783 9.512 -8.704 399 HA LEU 66 HA LEU 66 39.605 8.964 -8.524 400 HB2 LEU 66 HB2 LEU 66 39.923 11.395 -8.654 401 HB3 LEU 66 HB1 LEU 66 38.813 10.822 -9.876 402 HG LEU 66 HG LEU 66 36.950 11.644 -8.160 403 HD11 LEU 66 HD11 LEU 66 38.388 12.223 -6.293 404 HD12 LEU 66 HD12 LEU 66 37.558 13.655 -6.893 405 HD13 LEU 66 HD13 LEU 66 39.261 13.396 -7.283 406 HD21 LEU 66 HD21 LEU 66 38.524 13.583 -9.892 407 HD22 LEU 66 HD22 LEU 66 36.884 13.841 -9.285 408 HD23 LEU 66 HD23 LEU 66 37.206 12.530 -10.417 409 H ARG 67 HN ARG 67 37.144 9.356 -6.188 410 HA ARG 67 HA ARG 67 38.790 10.253 -4.003 411 HB2 ARG 67 HB2 ARG 67 36.016 10.089 -4.489 412 HB3 ARG 67 HB1 ARG 67 36.268 8.847 -3.279 413 HG2 ARG 67 HG2 ARG 67 36.988 11.771 -3.048 414 HG3 ARG 67 HG1 ARG 67 35.628 10.959 -2.272 415 HD2 ARG 67 HD2 ARG 67 38.579 10.453 -1.731 416 HD3 ARG 67 HD1 ARG 67 37.465 11.329 -0.683 417 HE ARG 67 HE ARG 67 36.260 8.942 -0.808 418 HH11 ARG 67 HH11 ARG 67 39.686 9.612 -0.308 419 HH12 ARG 67 HH12 ARG 67 39.898 8.265 0.763 420 HH21 ARG 67 HH21 ARG 67 36.602 7.157 0.581 421 HH22 ARG 67 HH22 ARG 67 38.173 6.898 1.269 422 H GLN 68 HN GLN 68 37.758 7.213 -5.413 423 HA GLN 68 HA GLN 68 37.689 5.557 -3.212 424 HB2 GLN 68 HB2 GLN 68 36.815 4.986 -5.506 425 HB3 GLN 68 HB1 GLN 68 38.470 4.693 -6.030 426 HG2 GLN 68 HG2 GLN 68 37.414 2.572 -5.539 427 HG3 GLN 68 HG1 GLN 68 38.663 2.875 -4.329 428 HE21 GLN 68 HE21 GLN 68 35.221 2.629 -4.919 429 HE22 GLN 68 HE22 GLN 68 34.732 2.572 -3.260 430 H VAL 69 HN VAL 69 40.384 5.460 -5.590 431 HA VAL 69 HA VAL 69 42.583 4.888 -5.438 432 HB VAL 69 HB VAL 69 42.602 6.465 -2.831 433 HG11 VAL 69 HG11 VAL 69 44.756 5.390 -3.365 434 HG12 VAL 69 HG12 VAL 69 44.886 7.144 -3.493 435 HG13 VAL 69 HG13 VAL 69 44.772 6.162 -4.955 436 HG21 VAL 69 HG21 VAL 69 42.655 7.655 -5.640 437 HG22 VAL 69 HG22 VAL 69 42.895 8.542 -4.130 438 HG23 VAL 69 HG23 VAL 69 41.334 7.794 -4.474 439 H HIS 70 HN HIS 70 41.282 2.738 -4.819 440 HA HIS 70 HA HIS 70 41.179 0.732 -3.771 441 HB2 HIS 70 HB2 HIS 70 43.953 1.536 -2.808 442 HB3 HIS 70 HB1 HIS 70 43.280 -0.078 -2.586 443 HD1 HIS 70 HD1 HIS 70 45.597 1.461 -4.669 444 HD2 HIS 70 HD2 HIS 70 42.300 -0.948 -5.446 445 HE1 HIS 70 HE1 HIS 70 46.023 0.446 -6.924 446 HE2 HIS 70 HE2 HIS 70 44.058 -1.070 -7.336 447 H THR 71 HN THR 71 39.813 2.743 -2.520 448 HA THR 71 HA THR 71 38.865 3.601 -0.699 449 HB THR 71 HB THR 71 39.475 0.985 0.740 450 HG1 THR 71 HG1 THR 71 37.332 1.575 -1.058 451 HG21 THR 71 HG21 THR 71 37.322 1.411 1.862 452 HG22 THR 71 HG22 THR 71 37.128 2.911 0.955 453 HG23 THR 71 HG23 THR 71 38.433 2.762 2.134 454 H ALA 72 HN ALA 72 40.684 5.068 -0.733 455 HA ALA 72 HA ALA 72 42.941 4.955 0.918 456 HB1 ALA 72 HB1 ALA 72 41.474 7.391 -0.155 457 HB2 ALA 72 HB2 ALA 72 42.755 6.504 -0.981 458 HB3 ALA 72 HB3 ALA 72 43.115 7.388 0.504 459 H ASN 73 HN ASN 73 42.936 4.821 3.031 460 HA ASN 73 HA ASN 73 42.495 4.953 5.227 461 HB2 ASN 73 HB2 ASN 73 42.447 7.460 4.811 462 HB3 ASN 73 HB1 ASN 73 40.704 7.354 4.619 463 HD21 ASN 73 HD21 ASN 73 42.122 8.936 6.523 464 HD22 ASN 73 HD22 ASN 73 41.646 8.415 8.098 465 H LEU 74 HN LEU 74 41.445 2.979 5.272 466 HA LEU 74 HA LEU 74 38.498 3.083 5.541 467 HB2 LEU 74 HB2 LEU 74 38.623 0.516 5.158 468 HB3 LEU 74 HB1 LEU 74 38.787 1.583 3.786 469 HG LEU 74 HG LEU 74 41.305 1.218 3.897 470 HD11 LEU 74 HD11 LEU 74 41.572 0.407 6.166 471 HD12 LEU 74 HD12 LEU 74 42.174 -0.779 5.015 472 HD13 LEU 74 HD13 LEU 74 40.612 -1.027 5.801 473 HD21 LEU 74 HD21 LEU 74 39.926 0.105 2.217 474 HD22 LEU 74 HD22 LEU 74 39.601 -1.228 3.327 475 HD23 LEU 74 HD23 LEU 74 41.241 -0.945 2.738 476 HA PRO 75 HA PRO 75 39.078 2.046 9.928 477 HB2 PRO 75 HB2 PRO 75 36.353 0.782 9.638 478 HB3 PRO 75 HB1 PRO 75 36.917 1.987 10.806 479 HG2 PRO 75 HG2 PRO 75 35.329 2.721 8.805 480 HG3 PRO 75 HG1 PRO 75 36.689 3.763 9.284 481 HD2 PRO 75 HD2 PRO 75 36.502 1.842 6.951 482 HD3 PRO 75 HD1 PRO 75 37.143 3.502 6.993 483 H HIS 76 HN HIS 76 37.486 -0.362 7.836 484 HA HIS 76 HA HIS 76 39.510 -2.397 8.499 485 HB2 HIS 76 HB2 HIS 76 36.495 -2.897 8.602 486 HB3 HIS 76 HB1 HIS 76 37.706 -4.165 8.627 487 HD1 HIS 76 HD1 HIS 76 35.740 -2.099 10.836 488 HD2 HIS 76 HD2 HIS 76 39.443 -3.971 11.033 489 HE1 HIS 76 HE1 HIS 76 36.275 -2.260 13.282 490 HE2 HIS 76 HE2 HIS 76 38.596 -3.217 13.359 491 H VAL 77 HN VAL 77 39.545 -4.148 6.832 492 HA VAL 77 HA VAL 77 39.120 -3.087 4.169 493 HB VAL 77 HB VAL 77 40.152 -5.170 3.332 494 HG11 VAL 77 HG11 VAL 77 42.394 -4.908 4.369 495 HG12 VAL 77 HG12 VAL 77 41.677 -3.985 5.691 496 HG13 VAL 77 HG13 VAL 77 41.639 -3.344 4.046 497 HG21 VAL 77 HG21 VAL 77 40.176 -6.119 6.234 498 HG22 VAL 77 HG22 VAL 77 40.963 -6.943 4.884 499 HG23 VAL 77 HG23 VAL 77 39.206 -6.800 4.926 500 H PHE 78 HN PHE 78 37.679 -3.857 2.597 501 HA PHE 78 HA PHE 78 35.670 -5.894 3.369 502 HB2 PHE 78 HB2 PHE 78 34.615 -3.649 3.545 503 HB3 PHE 78 HB1 PHE 78 35.109 -3.265 1.900 504 HD1 PHE 78 HD1 PHE 78 33.238 -5.988 3.708 505 HD2 PHE 78 HD2 PHE 78 33.410 -3.458 0.262 506 HE1 PHE 78 HE1 PHE 78 31.148 -6.966 2.877 507 HE2 PHE 78 HE2 PHE 78 31.312 -4.448 -0.562 508 HZ PHE 78 HZ PHE 78 30.183 -6.207 0.744 509 H ASN 79 HN ASN 79 35.741 -7.513 2.008 510 HA ASN 79 HA ASN 79 35.899 -7.357 -0.828 511 HB2 ASN 79 HB2 ASN 79 38.290 -6.912 -0.395 512 HB3 ASN 79 HB1 ASN 79 38.398 -8.298 0.679 513 HD21 ASN 79 HD21 ASN 79 38.667 -10.337 -0.198 514 HD22 ASN 79 HD22 ASN 79 38.930 -10.620 -1.881 515 H GLU 80 HN GLU 80 34.036 -8.609 -0.586 516 HA GLU 80 HA GLU 80 34.320 -11.393 0.408 517 HB2 GLU 80 HB2 GLU 80 31.831 -9.649 0.065 518 HB3 GLU 80 HB1 GLU 80 31.788 -11.355 0.512 519 HG2 GLU 80 HG2 GLU 80 33.108 -9.148 2.133 520 HG3 GLU 80 HG1 GLU 80 31.514 -9.831 2.452 521 H GLY 81 HN GLY 81 34.091 -9.514 -2.418 522 HA2 GLY 81 HA2 GLY 81 34.543 -11.309 -4.328 523 HA3 GLY 81 HA1 GLY 81 32.820 -11.566 -4.081 524 H ARG 82 HN ARG 82 31.822 -9.120 -3.691 525 HA ARG 82 HA ARG 82 31.948 -7.874 -6.301 526 HB2 ARG 82 HB2 ARG 82 29.855 -8.224 -4.801 527 HB3 ARG 82 HB1 ARG 82 30.414 -6.847 -3.872 528 HG2 ARG 82 HG2 ARG 82 29.959 -6.574 -6.853 529 HG3 ARG 82 HG1 ARG 82 28.585 -6.574 -5.757 530 HD2 ARG 82 HD2 ARG 82 28.968 -4.304 -5.961 531 HD3 ARG 82 HD1 ARG 82 29.925 -4.653 -4.532 532 HE ARG 82 HE ARG 82 31.917 -4.617 -5.953 533 HH11 ARG 82 HH11 ARG 82 29.044 -3.054 -7.219 534 HH12 ARG 82 HH12 ARG 82 29.937 -2.062 -8.320 535 HH21 ARG 82 HH21 ARG 82 33.049 -3.298 -7.384 536 HH22 ARG 82 HH22 ARG 82 32.193 -2.191 -8.406 537 H GLY 83 HN GLY 83 32.458 -6.719 -2.931 538 HA2 GLY 83 HA2 GLY 83 34.088 -5.393 -1.995 539 HA3 GLY 83 HA1 GLY 83 34.941 -5.380 -3.526 Start of MODEL 10 1 H1 SER 11 HT1 SER 11 24.463 28.266 -17.332 2 H2 SER 11 HT2 SER 11 24.456 27.398 -18.780 3 H3 SER 11 HT3 SER 11 24.925 29.018 -18.777 4 HA SER 11 HA SER 11 26.348 26.787 -17.458 5 HB2 SER 11 HB2 SER 11 28.109 27.263 -19.212 6 HB3 SER 11 HB1 SER 11 26.590 26.661 -19.871 7 HG SER 11 HG SER 11 27.835 29.044 -20.286 8 H ALA 12 HN ALA 12 25.743 30.157 -17.558 9 HA ALA 12 HA ALA 12 28.219 31.054 -16.348 10 HB1 ALA 12 HB1 ALA 12 26.921 32.520 -17.851 11 HB2 ALA 12 HB2 ALA 12 27.104 33.247 -16.255 12 HB3 ALA 12 HB3 ALA 12 25.569 32.501 -16.715 13 H GLU 13 HN GLU 13 28.084 32.353 -14.292 14 HA GLU 13 HA GLU 13 27.099 30.747 -12.130 15 HB2 GLU 13 HB2 GLU 13 28.136 32.498 -10.679 16 HB3 GLU 13 HB1 GLU 13 29.237 31.863 -11.887 17 HG2 GLU 13 HG2 GLU 13 28.886 33.902 -13.265 18 HG3 GLU 13 HG1 GLU 13 27.800 34.535 -12.030 19 H CYS 14 HN CYS 14 24.973 30.736 -11.622 20 HA CYS 14 HA CYS 14 23.434 33.247 -11.429 21 HB2 CYS 14 HB2 CYS 14 22.493 30.815 -13.023 22 HB3 CYS 14 HB1 CYS 14 21.580 32.303 -12.758 23 HG CYS 14 HG CYS 14 24.083 33.577 -14.021 24 H TRP 15 HN TRP 15 22.968 33.176 -9.283 25 HA TRP 15 HA TRP 15 22.385 30.795 -7.785 26 HB2 TRP 15 HB2 TRP 15 22.012 33.742 -7.094 27 HB3 TRP 15 HB1 TRP 15 21.725 32.425 -5.960 28 HD1 TRP 15 HD1 TRP 15 24.695 33.834 -8.067 29 HE1 TRP 15 HE1 TRP 15 26.847 33.499 -6.707 30 HE3 TRP 15 HE3 TRP 15 22.758 31.321 -4.053 31 HZ2 TRP 15 HZ2 TRP 15 27.642 32.313 -4.284 32 HZ3 TRP 15 HZ3 TRP 15 24.285 30.617 -2.249 33 HH2 TRP 15 HH2 TRP 15 26.685 31.108 -2.364 34 H ALA 16 HN ALA 16 20.426 29.970 -7.160 35 HA ALA 16 HA ALA 16 17.955 31.207 -8.260 36 HB1 ALA 16 HB1 ALA 16 17.068 28.943 -8.637 37 HB2 ALA 16 HB2 ALA 16 18.580 28.234 -8.062 38 HB3 ALA 16 HB3 ALA 16 18.560 29.190 -9.546 39 H ALA 17 HN ALA 17 18.801 28.555 -5.972 40 HA ALA 17 HA ALA 17 17.475 29.792 -3.717 41 HB1 ALA 17 HB1 ALA 17 15.567 28.246 -3.534 42 HB2 ALA 17 HB2 ALA 17 16.036 27.463 -5.048 43 HB3 ALA 17 HB3 ALA 17 15.497 29.143 -5.051 44 H LEU 18 HN LEU 18 19.497 27.460 -5.055 45 HA LEU 18 HA LEU 18 20.848 25.839 -4.309 46 HB2 LEU 18 HB2 LEU 18 20.204 26.982 -1.566 47 HB3 LEU 18 HB1 LEU 18 21.353 25.680 -1.816 48 HG LEU 18 HG LEU 18 22.719 27.242 -3.256 49 HD11 LEU 18 HD11 LEU 18 22.375 29.666 -3.086 50 HD12 LEU 18 HD12 LEU 18 20.854 29.394 -2.234 51 HD13 LEU 18 HD13 LEU 18 21.037 28.862 -3.907 52 HD21 LEU 18 HD21 LEU 18 23.731 28.467 -1.389 53 HD22 LEU 18 HD22 LEU 18 23.355 26.806 -0.932 54 HD23 LEU 18 HD23 LEU 18 22.320 28.128 -0.383 55 H LEU 19 HN LEU 19 20.282 23.829 -4.607 56 HA LEU 19 HA LEU 19 19.403 21.775 -4.491 57 HB2 LEU 19 HB2 LEU 19 17.999 22.648 -1.942 58 HB3 LEU 19 HB1 LEU 19 18.046 20.997 -2.546 59 HG LEU 19 HG LEU 19 20.427 22.627 -1.560 60 HD11 LEU 19 HD11 LEU 19 19.049 20.207 -0.355 61 HD12 LEU 19 HD12 LEU 19 18.992 21.865 0.254 62 HD13 LEU 19 HD13 LEU 19 20.514 20.979 0.265 63 HD21 LEU 19 HD21 LEU 19 20.384 19.783 -2.634 64 HD22 LEU 19 HD22 LEU 19 21.769 20.573 -1.875 65 HD23 LEU 19 HD23 LEU 19 21.138 21.183 -3.402 66 H HIS 20 HN HIS 20 16.907 24.207 -3.653 67 HA HIS 20 HA HIS 20 14.802 23.007 -5.141 68 HB2 HIS 20 HB2 HIS 20 14.406 24.683 -3.313 69 HB3 HIS 20 HB1 HIS 20 15.128 25.930 -4.311 70 HD1 HIS 20 HD1 HIS 20 11.942 24.448 -3.474 71 HD2 HIS 20 HD2 HIS 20 13.492 26.452 -6.777 72 HE1 HIS 20 HE1 HIS 20 9.944 25.246 -4.770 73 HE2 HIS 20 HE2 HIS 20 10.903 26.585 -6.672 74 H ASP 21 HN ASP 21 15.324 22.552 -7.225 75 HA ASP 21 HA ASP 21 16.469 24.543 -9.007 76 HB2 ASP 21 HB2 ASP 21 16.396 22.764 -10.736 77 HB3 ASP 21 HB1 ASP 21 17.216 22.224 -9.276 78 HA PRO 22 HA PRO 22 12.209 25.729 -10.234 79 HB2 PRO 22 HB2 PRO 22 12.708 28.216 -11.074 80 HB3 PRO 22 HB1 PRO 22 12.837 27.813 -9.352 81 HG2 PRO 22 HG2 PRO 22 15.039 28.070 -11.404 82 HG3 PRO 22 HG1 PRO 22 14.982 28.718 -9.751 83 HD2 PRO 22 HD2 PRO 22 16.249 26.339 -10.460 84 HD3 PRO 22 HD1 PRO 22 15.678 26.719 -8.821 85 H MET 23 HN MET 23 14.846 24.866 -12.127 86 HA MET 23 HA MET 23 13.585 25.624 -14.696 87 HB2 MET 23 HB2 MET 23 16.469 24.719 -14.285 88 HB3 MET 23 HB1 MET 23 15.765 25.398 -15.749 89 HG2 MET 23 HG2 MET 23 16.265 26.850 -13.137 90 HG3 MET 23 HG1 MET 23 17.149 27.058 -14.649 91 HE1 MET 23 HE1 MET 23 14.822 27.118 -16.848 92 HE2 MET 23 HE2 MET 23 16.125 28.306 -16.820 93 HE3 MET 23 HE3 MET 23 14.446 28.838 -16.917 94 H THR 24 HN THR 24 15.907 23.015 -14.117 95 HA THR 24 HA THR 24 14.210 20.787 -14.205 96 HB THR 24 HB THR 24 13.638 21.328 -16.498 97 HG1 THR 24 HG1 THR 24 14.126 19.419 -17.399 98 HG21 THR 24 HG21 THR 24 15.273 21.570 -18.324 99 HG22 THR 24 HG22 THR 24 16.595 21.454 -17.161 100 HG23 THR 24 HG23 THR 24 15.493 22.833 -17.108 101 H LEU 25 HN LEU 25 17.334 21.909 -15.541 102 HA LEU 25 HA LEU 25 18.699 20.525 -13.333 103 HB2 LEU 25 HB2 LEU 25 19.200 19.409 -15.556 104 HB3 LEU 25 HB1 LEU 25 19.867 20.921 -16.129 105 HG LEU 25 HG LEU 25 21.032 19.555 -13.666 106 HD11 LEU 25 HD11 LEU 25 22.704 18.454 -15.061 107 HD12 LEU 25 HD12 LEU 25 21.883 19.010 -16.521 108 HD13 LEU 25 HD13 LEU 25 21.081 17.869 -15.435 109 HD21 LEU 25 HD21 LEU 25 22.286 21.478 -15.670 110 HD22 LEU 25 HD22 LEU 25 23.116 20.743 -14.295 111 HD23 LEU 25 HD23 LEU 25 21.787 21.868 -14.021 112 H ASP 26 HN ASP 26 18.911 22.208 -12.026 113 HA ASP 26 HA ASP 26 19.527 24.889 -13.061 114 HB2 ASP 26 HB2 ASP 26 17.595 24.629 -11.510 115 HB3 ASP 26 HB1 ASP 26 18.678 23.979 -10.280 116 H MET 27 HN MET 27 21.619 25.325 -13.171 117 HA MET 27 HA MET 27 23.647 23.641 -12.203 118 HB2 MET 27 HB2 MET 27 23.836 26.440 -13.370 119 HB3 MET 27 HB1 MET 27 25.201 25.348 -13.153 120 HG2 MET 27 HG2 MET 27 24.201 23.747 -14.709 121 HG3 MET 27 HG1 MET 27 22.793 24.796 -14.910 122 HE1 MET 27 HE1 MET 27 23.213 24.544 -17.572 123 HE2 MET 27 HE2 MET 27 24.661 23.582 -17.263 124 HE3 MET 27 HE3 MET 27 24.739 24.968 -18.350 125 H ASP 28 HN ASP 28 22.204 26.454 -10.690 126 HA ASP 28 HA ASP 28 24.227 26.903 -8.703 127 HB2 ASP 28 HB2 ASP 28 22.645 28.673 -9.003 128 HB3 ASP 28 HB1 ASP 28 21.277 27.584 -8.876 129 H ALA 29 HN ALA 29 21.139 25.131 -8.702 130 HA ALA 29 HA ALA 29 21.364 24.031 -6.081 131 HB1 ALA 29 HB1 ALA 29 19.460 22.613 -6.762 132 HB2 ALA 29 HB2 ALA 29 19.698 23.069 -8.453 133 HB3 ALA 29 HB3 ALA 29 19.218 24.285 -7.266 134 H VAL 30 HN VAL 30 22.463 22.878 -9.227 135 HA VAL 30 HA VAL 30 23.055 20.179 -8.448 136 HB VAL 30 HB VAL 30 23.901 21.808 -10.887 137 HG11 VAL 30 HG11 VAL 30 24.609 19.673 -11.927 138 HG12 VAL 30 HG12 VAL 30 24.316 18.832 -10.404 139 HG13 VAL 30 HG13 VAL 30 25.590 20.051 -10.506 140 HG21 VAL 30 HG21 VAL 30 21.824 19.610 -10.578 141 HG22 VAL 30 HG22 VAL 30 22.247 20.423 -12.085 142 HG23 VAL 30 HG23 VAL 30 21.488 21.333 -10.780 143 H LEU 31 HN LEU 31 24.913 23.198 -8.788 144 HA LEU 31 HA LEU 31 27.472 22.195 -8.065 145 HB2 LEU 31 HB2 LEU 31 27.082 24.422 -9.123 146 HB3 LEU 31 HB1 LEU 31 26.325 24.989 -7.644 147 HG LEU 31 HG LEU 31 28.528 24.690 -6.445 148 HD11 LEU 31 HD11 LEU 31 29.636 24.112 -9.210 149 HD12 LEU 31 HD12 LEU 31 29.543 22.977 -7.859 150 HD13 LEU 31 HD13 LEU 31 30.590 24.389 -7.748 151 HD21 LEU 31 HD21 LEU 31 29.619 26.675 -7.398 152 HD22 LEU 31 HD22 LEU 31 27.873 26.896 -7.289 153 HD23 LEU 31 HD23 LEU 31 28.621 26.540 -8.849 154 H SER 32 HN SER 32 24.965 23.817 -6.166 155 HA SER 32 HA SER 32 25.936 23.800 -3.606 156 HB2 SER 32 HB2 SER 32 23.106 23.475 -4.661 157 HB3 SER 32 HB1 SER 32 23.439 23.769 -2.970 158 HG SER 32 HG SER 32 23.346 25.511 -5.001 159 H ASP 33 HN ASP 33 24.075 21.212 -5.210 160 HA ASP 33 HA ASP 33 23.915 19.525 -2.906 161 HB2 ASP 33 HB2 ASP 33 22.216 19.432 -4.722 162 HB3 ASP 33 HB1 ASP 33 23.439 18.820 -5.835 163 H PHE 34 HN PHE 34 25.881 19.437 -5.899 164 HA PHE 34 HA PHE 34 27.216 17.008 -5.450 165 HB2 PHE 34 HB2 PHE 34 27.285 18.071 -7.653 166 HB3 PHE 34 HB1 PHE 34 28.152 19.462 -7.012 167 HD1 PHE 34 HD2 PHE 34 28.470 15.874 -7.935 168 HD2 PHE 34 HD1 PHE 34 30.546 19.349 -6.594 169 HE1 PHE 34 HE2 PHE 34 30.622 14.776 -8.347 170 HE2 PHE 34 HE1 PHE 34 32.685 18.233 -7.015 171 HZ PHE 34 HZ PHE 34 32.725 15.953 -7.884 172 H VAL 35 HN VAL 35 28.253 20.335 -4.662 173 HA VAL 35 HA VAL 35 30.736 19.815 -3.496 174 HB VAL 35 HB VAL 35 28.730 22.045 -2.942 175 HG11 VAL 35 HG11 VAL 35 30.176 21.888 -0.950 176 HG12 VAL 35 HG12 VAL 35 30.576 23.335 -1.875 177 HG13 VAL 35 HG13 VAL 35 31.617 21.910 -1.971 178 HG21 VAL 35 HG21 VAL 35 29.671 21.990 -5.229 179 HG22 VAL 35 HG22 VAL 35 31.307 22.017 -4.563 180 HG23 VAL 35 HG23 VAL 35 30.241 23.410 -4.344 181 H ARG 36 HN ARG 36 27.528 19.958 -1.945 182 HA ARG 36 HA ARG 36 28.510 19.386 0.689 183 HB2 ARG 36 HB2 ARG 36 26.467 20.713 0.330 184 HB3 ARG 36 HB1 ARG 36 25.675 19.324 -0.410 185 HG2 ARG 36 HG2 ARG 36 25.660 18.122 1.688 186 HG3 ARG 36 HG1 ARG 36 26.661 19.353 2.459 187 HD2 ARG 36 HD2 ARG 36 23.875 19.868 1.378 188 HD3 ARG 36 HD1 ARG 36 24.225 19.451 3.057 189 HE ARG 36 HE ARG 36 25.416 21.850 1.800 190 HH11 ARG 36 HH11 ARG 36 23.478 20.438 4.372 191 HH12 ARG 36 HH12 ARG 36 23.305 21.936 5.230 192 HH21 ARG 36 HH21 ARG 36 25.196 23.805 2.941 193 HH22 ARG 36 HH22 ARG 36 24.302 23.845 4.427 194 H SER 37 HN SER 37 27.465 17.377 -1.982 195 HA SER 37 HA SER 37 26.765 15.041 -0.415 196 HB2 SER 37 HB2 SER 37 25.689 15.554 -2.622 197 HB3 SER 37 HB1 SER 37 27.225 15.263 -3.432 198 HG SER 37 HG SER 37 27.009 13.101 -2.242 199 H THR 38 HN THR 38 29.402 15.839 -2.677 200 HA THR 38 HA THR 38 30.867 13.392 -2.102 201 HB THR 38 HB THR 38 32.451 14.254 -3.833 202 HG1 THR 38 HG1 THR 38 30.738 16.291 -4.614 203 HG21 THR 38 HG21 THR 38 29.545 14.305 -4.717 204 HG22 THR 38 HG22 THR 38 30.544 12.857 -4.552 205 HG23 THR 38 HG23 THR 38 30.944 14.071 -5.768 206 H GLY 39 HN GLY 39 30.983 16.796 -1.269 207 HA2 GLY 39 HA2 GLY 39 32.214 17.806 0.441 208 HA3 GLY 39 HA1 GLY 39 33.245 16.387 0.558 209 H ALA 40 HN ALA 40 32.738 17.512 -2.633 210 HA ALA 40 HA ALA 40 35.510 18.349 -2.930 211 HB1 ALA 40 HB1 ALA 40 34.436 16.939 -4.648 212 HB2 ALA 40 HB2 ALA 40 34.981 18.472 -5.335 213 HB3 ALA 40 HB3 ALA 40 33.266 18.217 -4.985 214 H GLU 41 HN GLU 41 36.181 20.445 -3.606 215 HA GLU 41 HA GLU 41 34.717 22.596 -2.353 216 HB2 GLU 41 HB2 GLU 41 36.675 23.897 -2.647 217 HB3 GLU 41 HB1 GLU 41 37.328 22.265 -2.534 218 HG2 GLU 41 HG2 GLU 41 37.433 22.192 -5.024 219 HG3 GLU 41 HG1 GLU 41 36.870 23.864 -5.069 220 HA PRO 42 HA PRO 42 32.215 24.115 -5.695 221 HB2 PRO 42 HB2 PRO 42 32.651 26.862 -5.782 222 HB3 PRO 42 HB1 PRO 42 31.686 26.054 -4.535 223 HG2 PRO 42 HG2 PRO 42 34.607 26.839 -4.450 224 HG3 PRO 42 HG1 PRO 42 33.349 27.149 -3.240 225 HD2 PRO 42 HD2 PRO 42 35.032 25.142 -2.876 226 HD3 PRO 42 HD1 PRO 42 33.303 24.885 -2.529 227 H GLY 43 HN GLY 43 35.580 25.256 -5.928 228 HA2 GLY 43 HA2 GLY 43 35.610 25.912 -8.696 229 HA3 GLY 43 HA1 GLY 43 37.012 25.541 -7.696 230 H LEU 44 HN LEU 44 36.758 23.049 -6.956 231 HA LEU 44 HA LEU 44 37.442 21.423 -9.168 232 HB2 LEU 44 HB2 LEU 44 38.249 21.049 -6.838 233 HB3 LEU 44 HB1 LEU 44 36.622 20.609 -6.354 234 HG LEU 44 HG LEU 44 36.750 18.630 -7.935 235 HD11 LEU 44 HD11 LEU 44 39.673 19.402 -8.159 236 HD12 LEU 44 HD12 LEU 44 38.474 19.460 -9.457 237 HD13 LEU 44 HD13 LEU 44 38.943 17.911 -8.761 238 HD21 LEU 44 HD21 LEU 44 37.136 18.343 -5.526 239 HD22 LEU 44 HD22 LEU 44 38.852 18.698 -5.743 240 HD23 LEU 44 HD23 LEU 44 38.153 17.248 -6.466 241 H ALA 45 HN ALA 45 34.484 21.987 -7.442 242 HA ALA 45 HA ALA 45 32.951 19.756 -8.270 243 HB1 ALA 45 HB1 ALA 45 32.042 22.491 -7.298 244 HB2 ALA 45 HB2 ALA 45 32.386 21.089 -6.283 245 HB3 ALA 45 HB3 ALA 45 31.031 21.042 -7.407 246 H ARG 46 HN ARG 46 32.824 23.171 -9.224 247 HA ARG 46 HA ARG 46 31.125 23.030 -11.422 248 HB2 ARG 46 HB2 ARG 46 31.605 25.165 -10.481 249 HB3 ARG 46 HB1 ARG 46 33.339 24.947 -10.619 250 HG2 ARG 46 HG2 ARG 46 31.712 25.090 -13.153 251 HG3 ARG 46 HG1 ARG 46 31.997 26.576 -12.248 252 HD2 ARG 46 HD2 ARG 46 34.409 26.298 -12.447 253 HD3 ARG 46 HD1 ARG 46 34.207 24.710 -13.207 254 HE ARG 46 HE ARG 46 32.838 26.351 -14.859 255 HH11 ARG 46 HH11 ARG 46 36.089 26.681 -13.578 256 HH12 ARG 46 HH12 ARG 46 36.716 27.354 -15.045 257 HH21 ARG 46 HH21 ARG 46 33.652 27.180 -16.764 258 HH22 ARG 46 HH22 ARG 46 35.323 27.648 -16.862 259 H ASP 47 HN ASP 47 34.605 22.500 -11.215 260 HA ASP 47 HA ASP 47 35.231 22.354 -13.964 261 HB2 ASP 47 HB2 ASP 47 36.950 22.624 -12.227 262 HB3 ASP 47 HB1 ASP 47 36.560 21.040 -11.555 263 H LEU 48 HN LEU 48 34.402 19.774 -11.626 264 HA LEU 48 HA LEU 48 34.616 17.598 -13.505 265 HB2 LEU 48 HB2 LEU 48 33.279 17.694 -10.771 266 HB3 LEU 48 HB1 LEU 48 33.505 16.220 -11.713 267 HG LEU 48 HG LEU 48 35.750 17.954 -10.588 268 HD11 LEU 48 HD11 LEU 48 34.768 15.235 -9.670 269 HD12 LEU 48 HD12 LEU 48 34.544 16.769 -8.822 270 HD13 LEU 48 HD13 LEU 48 36.166 16.113 -9.035 271 HD21 LEU 48 HD21 LEU 48 35.912 15.294 -12.053 272 HD22 LEU 48 HD22 LEU 48 37.264 16.153 -11.306 273 HD23 LEU 48 HD23 LEU 48 36.426 16.864 -12.683 274 H LEU 49 HN LEU 49 32.005 19.619 -12.322 275 HA LEU 49 HA LEU 49 29.793 18.191 -13.366 276 HB2 LEU 49 HB2 LEU 49 30.184 21.082 -12.527 277 HB3 LEU 49 HB1 LEU 49 28.656 20.535 -13.206 278 HG LEU 49 HG LEU 49 29.905 19.269 -10.730 279 HD11 LEU 49 HD11 LEU 49 28.310 20.526 -9.371 280 HD12 LEU 49 HD12 LEU 49 27.744 21.395 -10.800 281 HD13 LEU 49 HD13 LEU 49 29.401 21.614 -10.231 282 HD21 LEU 49 HD21 LEU 49 27.644 18.327 -10.400 283 HD22 LEU 49 HD22 LEU 49 28.353 17.809 -11.927 284 HD23 LEU 49 HD23 LEU 49 27.112 19.066 -11.916 285 H GLU 50 HN GLU 50 31.591 21.026 -14.682 286 HA GLU 50 HA GLU 50 30.188 21.149 -17.139 287 HB2 GLU 50 HB2 GLU 50 32.955 22.193 -16.424 288 HB3 GLU 50 HB1 GLU 50 32.143 22.548 -17.948 289 HG2 GLU 50 HG2 GLU 50 30.219 23.465 -16.508 290 HG3 GLU 50 HG1 GLU 50 31.344 23.402 -15.159 291 H GLY 51 HN GLY 51 32.852 19.150 -16.089 292 HA2 GLY 51 HA2 GLY 51 33.692 18.109 -18.610 293 HA3 GLY 51 HA1 GLY 51 33.894 17.337 -17.041 294 H LYS 52 HN LYS 52 30.975 17.417 -16.529 295 HA LYS 52 HA LYS 52 30.158 15.039 -18.089 296 HB2 LYS 52 HB2 LYS 52 29.115 16.022 -15.388 297 HB3 LYS 52 HB1 LYS 52 28.700 14.500 -16.176 298 HG2 LYS 52 HG2 LYS 52 31.429 15.272 -15.097 299 HG3 LYS 52 HG1 LYS 52 30.287 14.150 -14.353 300 HD2 LYS 52 HD2 LYS 52 30.521 12.638 -16.318 301 HD3 LYS 52 HD1 LYS 52 31.685 13.760 -17.034 302 HE2 LYS 52 HE2 LYS 52 32.030 12.258 -14.417 303 HE3 LYS 52 HE1 LYS 52 32.830 11.891 -15.942 304 HZ1 LYS 52 HZ1 LYS 52 34.271 13.132 -14.453 305 HZ2 LYS 52 HZ2 LYS 52 33.159 14.399 -14.392 306 HZ3 LYS 52 HZ3 LYS 52 33.938 14.030 -15.846 307 H ASN 53 HN ASN 53 29.691 18.146 -18.587 308 HA ASN 53 HA ASN 53 28.148 19.477 -19.598 309 HB2 ASN 53 HB2 ASN 53 27.711 17.377 -20.978 310 HB3 ASN 53 HB1 ASN 53 26.414 16.972 -19.865 311 HD21 ASN 53 HD21 ASN 53 24.848 17.018 -21.472 312 HD22 ASN 53 HD22 ASN 53 24.321 18.474 -22.240 313 H TRP 54 HN TRP 54 28.255 19.366 -16.879 314 HA TRP 54 HA TRP 54 27.386 19.829 -14.876 315 HB2 TRP 54 HB2 TRP 54 25.331 21.118 -16.666 316 HB3 TRP 54 HB1 TRP 54 25.122 21.160 -14.926 317 HD1 TRP 54 HD1 TRP 54 27.325 22.647 -17.693 318 HE1 TRP 54 HE1 TRP 54 28.596 24.653 -16.708 319 HE3 TRP 54 HE3 TRP 54 26.162 21.991 -12.765 320 HZ2 TRP 54 HZ2 TRP 54 29.069 25.784 -14.185 321 HZ3 TRP 54 HZ3 TRP 54 27.074 23.573 -11.109 322 HH2 TRP 54 HH2 TRP 54 28.510 25.438 -11.805 323 H ASP 55 HN ASP 55 26.439 17.244 -16.335 324 HA ASP 55 HA ASP 55 23.971 16.568 -15.066 325 HB2 ASP 55 HB2 ASP 55 24.736 15.420 -17.127 326 HB3 ASP 55 HB1 ASP 55 26.094 14.725 -16.248 327 H LEU 56 HN LEU 56 23.772 16.438 -12.987 328 HA LEU 56 HA LEU 56 25.685 16.444 -11.000 329 HB2 LEU 56 HB2 LEU 56 23.336 17.086 -10.649 330 HB3 LEU 56 HB1 LEU 56 22.825 15.423 -10.912 331 HG LEU 56 HG LEU 56 24.153 14.782 -8.826 332 HD11 LEU 56 HD11 LEU 56 24.700 16.552 -7.202 333 HD12 LEU 56 HD12 LEU 56 24.276 17.789 -8.389 334 HD13 LEU 56 HD13 LEU 56 25.650 16.717 -8.680 335 HD21 LEU 56 HD21 LEU 56 21.831 16.696 -8.456 336 HD22 LEU 56 HD22 LEU 56 22.412 15.530 -7.263 337 HD23 LEU 56 HD23 LEU 56 21.723 14.963 -8.784 338 H THR 57 HN THR 57 23.893 13.669 -12.323 339 HA THR 57 HA THR 57 24.558 11.758 -10.385 340 HB THR 57 HB THR 57 23.822 11.186 -13.290 341 HG1 THR 57 HG1 THR 57 22.053 11.602 -11.082 342 HG21 THR 57 HG21 THR 57 24.514 9.190 -12.000 343 HG22 THR 57 HG22 THR 57 22.789 9.145 -12.376 344 HG23 THR 57 HG23 THR 57 23.328 9.585 -10.753 345 H ALA 58 HN ALA 58 25.973 12.366 -13.587 346 HA ALA 58 HA ALA 58 27.879 10.240 -13.522 347 HB1 ALA 58 HB1 ALA 58 28.809 11.285 -15.551 348 HB2 ALA 58 HB2 ALA 58 27.823 12.726 -15.265 349 HB3 ALA 58 HB3 ALA 58 27.049 11.184 -15.635 350 H ALA 59 HN ALA 59 27.952 13.630 -12.554 351 HA ALA 59 HA ALA 59 30.794 13.855 -12.225 352 HB1 ALA 59 HB1 ALA 59 29.365 15.826 -12.548 353 HB2 ALA 59 HB2 ALA 59 30.289 15.955 -11.048 354 HB3 ALA 59 HB3 ALA 59 28.574 15.521 -11.003 355 H LEU 60 HN LEU 60 28.086 13.213 -9.982 356 HA LEU 60 HA LEU 60 29.464 12.922 -7.546 357 HB2 LEU 60 HB2 LEU 60 26.989 11.455 -8.554 358 HB3 LEU 60 HB1 LEU 60 27.556 11.388 -6.891 359 HG LEU 60 HG LEU 60 26.619 13.938 -8.270 360 HD11 LEU 60 HD11 LEU 60 25.112 12.154 -6.331 361 HD12 LEU 60 HD12 LEU 60 24.759 12.364 -8.049 362 HD13 LEU 60 HD13 LEU 60 24.568 13.721 -6.941 363 HD21 LEU 60 HD21 LEU 60 26.582 14.898 -6.014 364 HD22 LEU 60 HD22 LEU 60 28.203 14.348 -6.428 365 HD23 LEU 60 HD23 LEU 60 27.198 13.387 -5.339 366 H SER 61 HN SER 61 28.527 10.515 -9.984 367 HA SER 61 HA SER 61 29.590 8.173 -8.887 368 HB2 SER 61 HB2 SER 61 27.980 8.178 -10.752 369 HB3 SER 61 HB1 SER 61 29.165 8.932 -11.816 370 HG SER 61 HG SER 61 29.037 6.697 -12.159 371 H ASP 62 HN ASP 62 31.024 10.552 -11.045 372 HA ASP 62 HA ASP 62 33.460 9.290 -11.671 373 HB2 ASP 62 HB2 ASP 62 32.679 11.156 -12.981 374 HB3 ASP 62 HB1 ASP 62 32.612 12.201 -11.570 375 H TYR 63 HN TYR 63 32.801 11.871 -9.263 376 HA TYR 63 HA TYR 63 35.397 11.999 -8.195 377 HB2 TYR 63 HB2 TYR 63 33.695 13.805 -7.924 378 HB3 TYR 63 HB1 TYR 63 32.800 12.781 -6.806 379 HD1 TYR 63 HD2 TYR 63 35.836 14.848 -7.232 380 HD2 TYR 63 HD1 TYR 63 33.651 12.403 -4.495 381 HE1 TYR 63 HE2 TYR 63 37.175 15.730 -5.371 382 HE2 TYR 63 HE1 TYR 63 34.988 13.284 -2.635 383 HH TYR 63 HH TYR 63 37.108 14.362 -2.226 384 H GLU 64 HN GLU 64 32.509 10.205 -7.104 385 HA GLU 64 HA GLU 64 33.708 9.258 -4.695 386 HB2 GLU 64 HB2 GLU 64 31.730 7.945 -4.338 387 HB3 GLU 64 HB1 GLU 64 31.248 9.514 -4.966 388 HG2 GLU 64 HG2 GLU 64 30.949 8.466 -7.212 389 HG3 GLU 64 HG1 GLU 64 31.323 6.899 -6.496 390 H GLN 65 HN GLN 65 33.843 8.155 -7.982 391 HA GLN 65 HA GLN 65 34.782 5.493 -7.428 392 HB2 GLN 65 HB2 GLN 65 33.646 6.315 -9.565 393 HB3 GLN 65 HB1 GLN 65 35.144 7.123 -9.981 394 HG2 GLN 65 HG2 GLN 65 34.890 4.134 -9.555 395 HG3 GLN 65 HG1 GLN 65 34.711 4.913 -11.124 396 HE21 GLN 65 HE21 GLN 65 36.576 5.972 -12.032 397 HE22 GLN 65 HE22 GLN 65 38.165 5.437 -11.611 398 H LEU 66 HN LEU 66 36.353 8.566 -8.410 399 HA LEU 66 HA LEU 66 38.978 7.416 -8.481 400 HB2 LEU 66 HB2 LEU 66 39.773 9.767 -8.883 401 HB3 LEU 66 HB1 LEU 66 38.570 9.185 -10.009 402 HG LEU 66 HG LEU 66 36.863 10.519 -8.522 403 HD11 LEU 66 HD11 LEU 66 37.726 12.540 -7.449 404 HD12 LEU 66 HD12 LEU 66 39.382 11.998 -7.724 405 HD13 LEU 66 HD13 LEU 66 38.321 11.084 -6.651 406 HD21 LEU 66 HD21 LEU 66 37.369 11.088 -10.852 407 HD22 LEU 66 HD22 LEU 66 38.787 12.007 -10.340 408 HD23 LEU 66 HD23 LEU 66 37.170 12.544 -9.876 409 H ARG 67 HN ARG 67 37.140 8.984 -5.937 410 HA ARG 67 HA ARG 67 39.394 9.613 -4.274 411 HB2 ARG 67 HB2 ARG 67 37.776 10.109 -2.499 412 HB3 ARG 67 HB1 ARG 67 37.293 10.846 -4.014 413 HG2 ARG 67 HG2 ARG 67 35.260 10.094 -3.199 414 HG3 ARG 67 HG1 ARG 67 35.718 8.768 -4.261 415 HD2 ARG 67 HD2 ARG 67 36.565 7.537 -2.242 416 HD3 ARG 67 HD1 ARG 67 35.933 8.843 -1.232 417 HE ARG 67 HE ARG 67 33.791 8.038 -2.749 418 HH11 ARG 67 HH11 ARG 67 35.971 6.365 -0.552 419 HH12 ARG 67 HH12 ARG 67 34.777 5.208 -0.063 420 HH21 ARG 67 HH21 ARG 67 32.247 6.510 -2.102 421 HH22 ARG 67 HH22 ARG 67 32.666 5.293 -0.944 422 H GLN 68 HN GLN 68 37.564 6.755 -4.888 423 HA GLN 68 HA GLN 68 38.196 5.239 -2.572 424 HB2 GLN 68 HB2 GLN 68 37.493 4.369 -5.406 425 HB3 GLN 68 HB1 GLN 68 37.695 3.242 -4.070 426 HG2 GLN 68 HG2 GLN 68 35.796 4.174 -2.904 427 HG3 GLN 68 HG1 GLN 68 35.663 5.491 -4.062 428 HE21 GLN 68 HE21 GLN 68 36.022 3.854 -6.450 429 HE22 GLN 68 HE22 GLN 68 34.580 2.920 -6.613 430 H VAL 69 HN VAL 69 39.736 5.617 -5.731 431 HA VAL 69 HA VAL 69 41.803 5.376 -6.528 432 HB VAL 69 HB VAL 69 42.727 4.821 -3.663 433 HG11 VAL 69 HG11 VAL 69 44.422 4.080 -5.292 434 HG12 VAL 69 HG12 VAL 69 44.980 5.520 -4.439 435 HG13 VAL 69 HG13 VAL 69 44.367 5.654 -6.090 436 HG21 VAL 69 HG21 VAL 69 41.621 7.021 -3.853 437 HG22 VAL 69 HG22 VAL 69 42.679 7.450 -5.200 438 HG23 VAL 69 HG23 VAL 69 43.356 7.218 -3.586 439 H HIS 70 HN HIS 70 40.108 2.873 -4.999 440 HA HIS 70 HA HIS 70 41.770 0.637 -5.550 441 HB2 HIS 70 HB2 HIS 70 40.035 0.485 -3.824 442 HB3 HIS 70 HB1 HIS 70 38.767 0.804 -5.002 443 HD1 HIS 70 HD1 HIS 70 38.062 -1.137 -6.550 444 HD2 HIS 70 HD2 HIS 70 41.043 -2.185 -3.848 445 HE1 HIS 70 HE1 HIS 70 38.245 -3.637 -6.686 446 HE2 HIS 70 HE2 HIS 70 39.909 -4.257 -4.907 447 H THR 71 HN THR 71 42.395 1.163 -7.614 448 HA THR 71 HA THR 71 41.431 -0.263 -9.716 449 HB THR 71 HB THR 71 39.527 1.218 -10.069 450 HG1 THR 71 HG1 THR 71 39.859 1.577 -12.183 451 HG21 THR 71 HG21 THR 71 39.718 3.640 -10.549 452 HG22 THR 71 HG22 THR 71 41.447 3.582 -10.186 453 HG23 THR 71 HG23 THR 71 40.264 3.263 -8.915 454 H ALA 72 HN ALA 72 42.800 2.916 -8.985 455 HA ALA 72 HA ALA 72 44.568 4.109 -9.756 456 HB1 ALA 72 HB1 ALA 72 46.708 3.084 -9.118 457 HB2 ALA 72 HB2 ALA 72 45.937 1.500 -9.046 458 HB3 ALA 72 HB3 ALA 72 45.459 2.762 -7.903 459 H ASN 73 HN ASN 73 43.156 2.754 -11.925 460 HA ASN 73 HA ASN 73 45.306 2.286 -13.904 461 HB2 ASN 73 HB2 ASN 73 43.890 0.265 -13.342 462 HB3 ASN 73 HB1 ASN 73 42.487 1.128 -13.967 463 HD21 ASN 73 HD21 ASN 73 45.530 -0.393 -14.788 464 HD22 ASN 73 HD22 ASN 73 45.254 -0.494 -16.491 465 H LEU 74 HN LEU 74 45.408 4.471 -14.242 466 HA LEU 74 HA LEU 74 43.850 5.504 -16.387 467 HB2 LEU 74 HB2 LEU 74 42.829 7.433 -15.385 468 HB3 LEU 74 HB1 LEU 74 42.341 6.062 -14.412 469 HG LEU 74 HG LEU 74 44.536 8.027 -13.592 470 HD11 LEU 74 HD11 LEU 74 42.370 9.177 -13.720 471 HD12 LEU 74 HD12 LEU 74 42.920 9.025 -12.054 472 HD13 LEU 74 HD13 LEU 74 41.646 7.961 -12.662 473 HD21 LEU 74 HD21 LEU 74 43.106 5.907 -11.938 474 HD22 LEU 74 HD22 LEU 74 44.316 7.051 -11.344 475 HD23 LEU 74 HD23 LEU 74 44.771 5.817 -12.517 476 HA PRO 75 HA PRO 75 47.773 7.617 -17.026 477 HB2 PRO 75 HB2 PRO 75 47.020 10.129 -17.963 478 HB3 PRO 75 HB1 PRO 75 47.037 8.662 -18.954 479 HG2 PRO 75 HG2 PRO 75 44.719 9.955 -17.513 480 HG3 PRO 75 HG1 PRO 75 44.789 9.315 -19.170 481 HD2 PRO 75 HD2 PRO 75 43.673 7.878 -17.198 482 HD3 PRO 75 HD1 PRO 75 44.653 7.075 -18.449 483 H HIS 76 HN HIS 76 48.920 8.062 -15.259 484 HA HIS 76 HA HIS 76 47.874 9.681 -13.071 485 HB2 HIS 76 HB2 HIS 76 50.445 8.058 -13.317 486 HB3 HIS 76 HB1 HIS 76 49.946 8.915 -11.861 487 HD1 HIS 76 HD1 HIS 76 47.770 7.994 -10.643 488 HD2 HIS 76 HD2 HIS 76 49.293 5.562 -13.649 489 HE1 HIS 76 HE1 HIS 76 46.713 5.744 -10.289 490 HE2 HIS 76 HE2 HIS 76 47.836 4.249 -11.969 491 H VAL 77 HN VAL 77 48.287 11.235 -15.296 492 HA VAL 77 HA VAL 77 50.598 12.810 -15.313 493 HB VAL 77 HB VAL 77 48.921 12.930 -17.090 494 HG11 VAL 77 HG11 VAL 77 46.988 14.162 -15.090 495 HG12 VAL 77 HG12 VAL 77 46.867 12.543 -15.780 496 HG13 VAL 77 HG13 VAL 77 46.690 13.958 -16.822 497 HG21 VAL 77 HG21 VAL 77 50.325 14.932 -16.805 498 HG22 VAL 77 HG22 VAL 77 49.134 15.624 -15.698 499 HG23 VAL 77 HG23 VAL 77 48.718 15.374 -17.396 500 H PHE 78 HN PHE 78 51.286 14.492 -13.993 501 HA PHE 78 HA PHE 78 50.378 14.643 -11.324 502 HB2 PHE 78 HB2 PHE 78 52.724 15.191 -12.111 503 HB3 PHE 78 HB1 PHE 78 52.109 16.697 -12.780 504 HD1 PHE 78 HD2 PHE 78 52.807 14.852 -9.633 505 HD2 PHE 78 HD1 PHE 78 51.603 18.597 -11.322 506 HE1 PHE 78 HE2 PHE 78 53.133 15.947 -7.454 507 HE2 PHE 78 HE1 PHE 78 51.932 19.682 -9.138 508 HZ PHE 78 HZ PHE 78 52.700 18.361 -7.204 509 H ASN 79 HN ASN 79 50.198 17.048 -13.932 510 HA ASN 79 HA ASN 79 48.647 18.478 -14.661 511 HB2 ASN 79 HB2 ASN 79 47.140 16.452 -14.478 512 HB3 ASN 79 HB1 ASN 79 46.636 17.016 -12.890 513 HD21 ASN 79 HD21 ASN 79 44.466 17.259 -13.503 514 HD22 ASN 79 HD22 ASN 79 43.941 18.495 -14.589 515 H GLU 80 HN GLU 80 47.409 20.392 -14.150 516 HA GLU 80 HA GLU 80 48.338 21.811 -11.849 517 HB2 GLU 80 HB2 GLU 80 46.193 22.575 -13.890 518 HB3 GLU 80 HB1 GLU 80 46.935 23.673 -12.724 519 HG2 GLU 80 HG2 GLU 80 49.149 23.251 -13.815 520 HG3 GLU 80 HG1 GLU 80 48.327 22.281 -15.039 521 H GLY 81 HN GLY 81 47.493 21.794 -9.887 522 HA2 GLY 81 HA2 GLY 81 44.649 21.775 -9.357 523 HA3 GLY 81 HA1 GLY 81 45.474 20.304 -8.839 524 H ARG 82 HN ARG 82 46.510 20.332 -6.897 525 HA ARG 82 HA ARG 82 46.433 22.767 -5.298 526 HB2 ARG 82 HB2 ARG 82 45.902 20.248 -4.557 527 HB3 ARG 82 HB1 ARG 82 47.631 20.177 -4.270 528 HG2 ARG 82 HG2 ARG 82 45.689 22.132 -2.969 529 HG3 ARG 82 HG1 ARG 82 46.354 20.687 -2.213 530 HD2 ARG 82 HD2 ARG 82 47.909 23.162 -3.061 531 HD3 ARG 82 HD1 ARG 82 47.516 22.691 -1.404 532 HE ARG 82 HE ARG 82 48.901 20.549 -2.315 533 HH11 ARG 82 HH11 ARG 82 49.675 23.968 -2.305 534 HH12 ARG 82 HH12 ARG 82 51.385 23.696 -2.258 535 HH21 ARG 82 HH21 ARG 82 51.160 20.222 -2.269 536 HH22 ARG 82 HH22 ARG 82 52.217 21.600 -2.241 537 H GLY 83 HN GLY 83 48.061 24.174 -5.638 538 HA2 GLY 83 HA2 GLY 83 50.661 23.866 -4.863 539 HA3 GLY 83 HA1 GLY 83 50.694 23.464 -6.581 Start of MODEL 11 1 H1 SER 11 HT1 SER 11 -7.576 -2.390 -18.358 2 H2 SER 11 HT2 SER 11 -7.310 -2.371 -20.022 3 H3 SER 11 HT3 SER 11 -8.813 -1.912 -19.409 4 HA SER 11 HA SER 11 -7.539 -0.022 -20.109 5 HB2 SER 11 HB2 SER 11 -9.126 0.105 -18.128 6 HB3 SER 11 HB1 SER 11 -7.733 -0.116 -17.070 7 HG SER 11 HG SER 11 -6.863 1.805 -17.914 8 H ALA 12 HN ALA 12 -5.531 -0.523 -20.940 9 HA ALA 12 HA ALA 12 -3.269 -1.335 -19.395 10 HB1 ALA 12 HB1 ALA 12 -3.530 -1.961 -21.759 11 HB2 ALA 12 HB2 ALA 12 -2.009 -1.107 -21.486 12 HB3 ALA 12 HB3 ALA 12 -3.374 -0.268 -22.234 13 H GLU 13 HN GLU 13 -2.624 0.077 -17.849 14 HA GLU 13 HA GLU 13 -1.265 2.494 -18.682 15 HB2 GLU 13 HB2 GLU 13 -2.454 4.010 -17.134 16 HB3 GLU 13 HB1 GLU 13 -3.545 3.364 -18.355 17 HG2 GLU 13 HG2 GLU 13 -4.415 1.724 -16.704 18 HG3 GLU 13 HG1 GLU 13 -3.339 2.403 -15.482 19 H CYS 14 HN CYS 14 -0.055 3.486 -16.926 20 HA CYS 14 HA CYS 14 0.233 2.107 -14.386 21 HB2 CYS 14 HB2 CYS 14 2.685 1.745 -14.643 22 HB3 CYS 14 HB1 CYS 14 1.770 0.790 -15.805 23 HG CYS 14 HG CYS 14 4.325 2.306 -16.546 24 H TRP 15 HN TRP 15 1.617 4.481 -16.621 25 HA TRP 15 HA TRP 15 2.200 6.631 -16.544 26 HB2 TRP 15 HB2 TRP 15 0.498 6.863 -14.020 27 HB3 TRP 15 HB1 TRP 15 1.053 8.196 -15.028 28 HD1 TRP 15 HD1 TRP 15 -1.873 5.944 -14.611 29 HE1 TRP 15 HE1 TRP 15 -3.508 6.180 -16.581 30 HE3 TRP 15 HE3 TRP 15 1.126 8.535 -17.867 31 HZ2 TRP 15 HZ2 TRP 15 -3.539 7.316 -19.146 32 HZ3 TRP 15 HZ3 TRP 15 0.207 9.142 -20.071 33 HH2 TRP 15 HH2 TRP 15 -2.081 8.542 -20.699 34 H ALA 16 HN ALA 16 3.258 8.405 -15.051 35 HA ALA 16 HA ALA 16 4.902 7.297 -12.904 36 HB1 ALA 16 HB1 ALA 16 6.185 6.646 -14.905 37 HB2 ALA 16 HB2 ALA 16 7.059 7.849 -13.958 38 HB3 ALA 16 HB3 ALA 16 6.231 8.326 -15.443 39 H ALA 17 HN ALA 17 4.826 10.114 -15.136 40 HA ALA 17 HA ALA 17 5.024 12.355 -14.833 41 HB1 ALA 17 HB1 ALA 17 2.827 12.091 -13.738 42 HB2 ALA 17 HB2 ALA 17 3.763 13.370 -12.968 43 HB3 ALA 17 HB3 ALA 17 3.621 11.794 -12.187 44 H LEU 18 HN LEU 18 7.240 10.653 -13.969 45 HA LEU 18 HA LEU 18 8.380 11.851 -11.552 46 HB2 LEU 18 HB2 LEU 18 9.368 9.610 -13.366 47 HB3 LEU 18 HB1 LEU 18 10.172 10.120 -11.885 48 HG LEU 18 HG LEU 18 7.389 8.884 -12.059 49 HD11 LEU 18 HD11 LEU 18 8.380 6.931 -10.968 50 HD12 LEU 18 HD12 LEU 18 9.979 7.679 -11.025 51 HD13 LEU 18 HD13 LEU 18 9.142 7.252 -12.522 52 HD21 LEU 18 HD21 LEU 18 7.490 10.478 -10.221 53 HD22 LEU 18 HD22 LEU 18 8.963 9.726 -9.602 54 HD23 LEU 18 HD23 LEU 18 7.440 8.832 -9.595 55 H LEU 19 HN LEU 19 9.532 13.651 -11.725 56 HA LEU 19 HA LEU 19 11.316 14.114 -14.054 57 HB2 LEU 19 HB2 LEU 19 9.902 16.236 -12.362 58 HB3 LEU 19 HB1 LEU 19 10.981 16.542 -13.717 59 HG LEU 19 HG LEU 19 8.223 15.257 -13.873 60 HD11 LEU 19 HD11 LEU 19 7.533 17.297 -15.043 61 HD12 LEU 19 HD12 LEU 19 9.146 17.988 -14.834 62 HD13 LEU 19 HD13 LEU 19 8.131 17.663 -13.425 63 HD21 LEU 19 HD21 LEU 19 10.132 15.890 -16.155 64 HD22 LEU 19 HD22 LEU 19 8.477 15.294 -16.321 65 HD23 LEU 19 HD23 LEU 19 9.704 14.282 -15.569 66 H HIS 20 HN HIS 20 13.306 13.674 -13.337 67 HA HIS 20 HA HIS 20 14.147 13.602 -10.630 68 HB2 HIS 20 HB2 HIS 20 15.201 12.238 -12.426 69 HB3 HIS 20 HB1 HIS 20 15.857 13.696 -13.161 70 HD1 HIS 20 HD1 HIS 20 18.102 14.482 -12.290 71 HD2 HIS 20 HD2 HIS 20 16.357 11.637 -9.829 72 HE1 HIS 20 HE1 HIS 20 19.851 13.927 -10.578 73 HE2 HIS 20 HE2 HIS 20 18.831 12.059 -9.225 74 H ASP 21 HN ASP 21 14.531 15.938 -13.226 75 HA ASP 21 HA ASP 21 15.918 17.912 -11.545 76 HB2 ASP 21 HB2 ASP 21 16.217 19.124 -13.736 77 HB3 ASP 21 HB1 ASP 21 16.932 17.518 -13.716 78 HA PRO 22 HA PRO 22 12.181 20.184 -10.790 79 HB2 PRO 22 HB2 PRO 22 13.034 22.698 -10.345 80 HB3 PRO 22 HB1 PRO 22 13.538 21.357 -9.304 81 HG2 PRO 22 HG2 PRO 22 15.041 22.622 -11.609 82 HG3 PRO 22 HG1 PRO 22 15.629 22.241 -9.975 83 HD2 PRO 22 HD2 PRO 22 16.070 20.603 -12.121 84 HD3 PRO 22 HD1 PRO 22 15.904 19.983 -10.462 85 H MET 23 HN MET 23 13.827 20.871 -13.712 86 HA MET 23 HA MET 23 11.525 21.872 -15.077 87 HB2 MET 23 HB2 MET 23 12.144 23.995 -13.991 88 HB3 MET 23 HB1 MET 23 13.800 23.838 -14.553 89 HG2 MET 23 HG2 MET 23 13.008 24.076 -16.889 90 HG3 MET 23 HG1 MET 23 11.360 24.296 -16.292 91 HE1 MET 23 HE1 MET 23 11.209 26.633 -17.664 92 HE2 MET 23 HE2 MET 23 12.852 26.364 -18.248 93 HE3 MET 23 HE3 MET 23 12.418 27.907 -17.515 94 H THR 24 HN THR 24 15.103 22.155 -15.265 95 HA THR 24 HA THR 24 15.206 20.312 -17.534 96 HB THR 24 HB THR 24 16.410 23.126 -17.755 97 HG1 THR 24 HG1 THR 24 14.074 21.936 -18.800 98 HG21 THR 24 HG21 THR 24 16.362 20.845 -19.786 99 HG22 THR 24 HG22 THR 24 17.792 21.421 -18.919 100 HG23 THR 24 HG23 THR 24 16.979 22.469 -20.083 101 H LEU 25 HN LEU 25 17.295 22.695 -15.926 102 HA LEU 25 HA LEU 25 18.779 20.935 -14.286 103 HB2 LEU 25 HB2 LEU 25 19.639 20.349 -16.643 104 HB3 LEU 25 HB1 LEU 25 20.312 21.964 -16.728 105 HG LEU 25 HG LEU 25 21.106 20.021 -14.513 106 HD11 LEU 25 HD11 LEU 25 21.541 18.863 -16.602 107 HD12 LEU 25 HD12 LEU 25 23.048 19.343 -15.829 108 HD13 LEU 25 HD13 LEU 25 22.449 20.248 -17.223 109 HD21 LEU 25 HD21 LEU 25 22.604 22.415 -15.653 110 HD22 LEU 25 HD22 LEU 25 23.161 21.339 -14.370 111 HD23 LEU 25 HD23 LEU 25 21.752 22.358 -14.105 112 H ASP 26 HN ASP 26 19.413 22.257 -12.662 113 HA ASP 26 HA ASP 26 19.722 25.166 -13.167 114 HB2 ASP 26 HB2 ASP 26 17.790 24.394 -11.638 115 HB3 ASP 26 HB1 ASP 26 19.014 23.866 -10.489 116 H MET 27 HN MET 27 21.852 25.454 -13.419 117 HA MET 27 HA MET 27 23.958 23.863 -12.572 118 HB2 MET 27 HB2 MET 27 23.901 26.806 -13.310 119 HB3 MET 27 HB1 MET 27 25.403 25.954 -12.964 120 HG2 MET 27 HG2 MET 27 25.105 26.053 -15.330 121 HG3 MET 27 HG1 MET 27 24.901 24.385 -14.814 122 HE1 MET 27 HE1 MET 27 23.878 23.822 -17.184 123 HE2 MET 27 HE2 MET 27 24.065 25.508 -17.675 124 HE3 MET 27 HE3 MET 27 22.515 24.690 -17.896 125 H ASP 28 HN ASP 28 22.464 26.599 -10.889 126 HA ASP 28 HA ASP 28 24.413 26.883 -8.818 127 HB2 ASP 28 HB2 ASP 28 22.883 28.712 -9.363 128 HB3 ASP 28 HB1 ASP 28 21.487 27.723 -8.955 129 H ALA 29 HN ALA 29 21.306 25.131 -9.007 130 HA ALA 29 HA ALA 29 21.330 24.121 -6.334 131 HB1 ALA 29 HB1 ALA 29 19.519 22.626 -7.092 132 HB2 ALA 29 HB2 ALA 29 19.859 23.046 -8.775 133 HB3 ALA 29 HB3 ALA 29 19.259 24.275 -7.660 134 H VAL 30 HN VAL 30 22.501 22.887 -9.420 135 HA VAL 30 HA VAL 30 23.132 20.226 -8.600 136 HB VAL 30 HB VAL 30 23.969 21.856 -11.053 137 HG11 VAL 30 HG11 VAL 30 25.693 20.145 -10.660 138 HG12 VAL 30 HG12 VAL 30 24.728 19.730 -12.075 139 HG13 VAL 30 HG13 VAL 30 24.453 18.895 -10.546 140 HG21 VAL 30 HG21 VAL 30 21.559 21.315 -10.945 141 HG22 VAL 30 HG22 VAL 30 21.940 19.601 -10.751 142 HG23 VAL 30 HG23 VAL 30 22.345 20.433 -12.255 143 H LEU 31 HN LEU 31 24.987 23.250 -8.830 144 HA LEU 31 HA LEU 31 27.560 22.194 -8.206 145 HB2 LEU 31 HB2 LEU 31 27.213 24.464 -9.219 146 HB3 LEU 31 HB1 LEU 31 26.491 25.007 -7.715 147 HG LEU 31 HG LEU 31 28.708 24.544 -6.556 148 HD11 LEU 31 HD11 LEU 31 29.601 22.916 -8.131 149 HD12 LEU 31 HD12 LEU 31 30.714 24.261 -7.903 150 HD13 LEU 31 HD13 LEU 31 29.741 24.164 -9.374 151 HD21 LEU 31 HD21 LEU 31 28.102 26.831 -7.222 152 HD22 LEU 31 HD22 LEU 31 28.838 26.578 -8.807 153 HD23 LEU 31 HD23 LEU 31 29.841 26.562 -7.353 154 H SER 32 HN SER 32 25.053 23.794 -6.268 155 HA SER 32 HA SER 32 26.314 23.732 -3.753 156 HB2 SER 32 HB2 SER 32 24.357 25.159 -4.223 157 HB3 SER 32 HB1 SER 32 23.336 23.737 -4.423 158 HG SER 32 HG SER 32 23.023 24.474 -2.370 159 H ASP 33 HN ASP 33 24.205 21.405 -5.382 160 HA ASP 33 HA ASP 33 23.746 19.655 -3.176 161 HB2 ASP 33 HB2 ASP 33 22.320 19.799 -5.320 162 HB3 ASP 33 HB1 ASP 33 23.585 18.892 -6.134 163 H PHE 34 HN PHE 34 25.991 19.587 -5.953 164 HA PHE 34 HA PHE 34 27.243 17.129 -5.453 165 HB2 PHE 34 HB2 PHE 34 27.557 18.371 -7.570 166 HB3 PHE 34 HB1 PHE 34 28.440 19.640 -6.730 167 HD1 PHE 34 HD2 PHE 34 30.732 19.151 -5.803 168 HD2 PHE 34 HD1 PHE 34 28.651 16.301 -8.208 169 HE1 PHE 34 HE2 PHE 34 32.822 17.909 -6.136 170 HE2 PHE 34 HE1 PHE 34 30.748 15.072 -8.522 171 HZ PHE 34 HZ PHE 34 32.823 15.868 -7.490 172 H VAL 35 HN VAL 35 28.313 20.409 -4.519 173 HA VAL 35 HA VAL 35 30.588 19.764 -3.037 174 HB VAL 35 HB VAL 35 28.694 22.145 -2.795 175 HG11 VAL 35 HG11 VAL 35 30.485 23.350 -1.573 176 HG12 VAL 35 HG12 VAL 35 31.447 21.875 -1.523 177 HG13 VAL 35 HG13 VAL 35 29.912 21.953 -0.659 178 HG21 VAL 35 HG21 VAL 35 31.394 21.870 -4.176 179 HG22 VAL 35 HG22 VAL 35 30.422 23.343 -4.103 180 HG23 VAL 35 HG23 VAL 35 29.823 21.932 -4.980 181 H ARG 36 HN ARG 36 27.213 19.910 -2.051 182 HA ARG 36 HA ARG 36 27.670 19.742 0.779 183 HB2 ARG 36 HB2 ARG 36 25.659 20.774 -0.498 184 HB3 ARG 36 HB1 ARG 36 25.052 19.127 -0.658 185 HG2 ARG 36 HG2 ARG 36 24.980 18.929 1.814 186 HG3 ARG 36 HG1 ARG 36 25.613 20.574 1.960 187 HD2 ARG 36 HD2 ARG 36 23.576 21.313 0.575 188 HD3 ARG 36 HD1 ARG 36 22.925 19.696 0.870 189 HE ARG 36 HE ARG 36 23.631 20.764 3.342 190 HH11 ARG 36 HH11 ARG 36 21.288 21.411 0.792 191 HH12 ARG 36 HH12 ARG 36 20.218 22.269 1.850 192 HH21 ARG 36 HH21 ARG 36 22.241 21.923 4.685 193 HH22 ARG 36 HH22 ARG 36 20.766 22.577 4.049 194 H SER 37 HN SER 37 27.039 17.420 -1.807 195 HA SER 37 HA SER 37 26.494 15.158 -0.087 196 HB2 SER 37 HB2 SER 37 27.070 15.295 -3.088 197 HB3 SER 37 HB1 SER 37 26.535 13.847 -2.233 198 HG SER 37 HG SER 37 25.086 16.035 -3.064 199 H THR 38 HN THR 38 29.207 16.152 -2.173 200 HA THR 38 HA THR 38 30.828 13.837 -1.521 201 HB THR 38 HB THR 38 32.481 14.849 -3.098 202 HG1 THR 38 HG1 THR 38 30.780 16.830 -3.990 203 HG21 THR 38 HG21 THR 38 30.704 13.401 -4.034 204 HG22 THR 38 HG22 THR 38 31.127 14.695 -5.155 205 HG23 THR 38 HG23 THR 38 29.643 14.806 -4.210 206 H GLY 39 HN GLY 39 30.682 17.256 -0.703 207 HA2 GLY 39 HA2 GLY 39 31.748 18.387 1.040 208 HA3 GLY 39 HA1 GLY 39 32.786 16.997 1.326 209 H ALA 40 HN ALA 40 32.719 17.716 -1.971 210 HA ALA 40 HA ALA 40 35.472 18.594 -2.026 211 HB1 ALA 40 HB1 ALA 40 34.591 17.040 -3.734 212 HB2 ALA 40 HB2 ALA 40 35.214 18.510 -4.483 213 HB3 ALA 40 HB3 ALA 40 33.471 18.281 -4.305 214 H GLU 41 HN GLU 41 36.158 20.540 -3.374 215 HA GLU 41 HA GLU 41 34.840 22.881 -2.274 216 HB2 GLU 41 HB2 GLU 41 36.766 24.099 -2.912 217 HB3 GLU 41 HB1 GLU 41 37.415 22.487 -2.634 218 HG2 GLU 41 HG2 GLU 41 37.263 22.075 -5.105 219 HG3 GLU 41 HG1 GLU 41 36.755 23.757 -5.297 220 HA PRO 42 HA PRO 42 32.128 24.000 -5.674 221 HB2 PRO 42 HB2 PRO 42 32.417 26.736 -5.906 222 HB3 PRO 42 HB1 PRO 42 31.582 25.955 -4.553 223 HG2 PRO 42 HG2 PRO 42 34.472 26.862 -4.705 224 HG3 PRO 42 HG1 PRO 42 33.273 27.223 -3.455 225 HD2 PRO 42 HD2 PRO 42 35.044 25.300 -3.047 226 HD3 PRO 42 HD1 PRO 42 33.349 25.029 -2.564 227 H GLY 43 HN GLY 43 35.472 25.154 -6.047 228 HA2 GLY 43 HA2 GLY 43 35.375 25.763 -8.841 229 HA3 GLY 43 HA1 GLY 43 36.820 25.489 -7.878 230 H LEU 44 HN LEU 44 36.559 22.979 -7.017 231 HA LEU 44 HA LEU 44 37.267 21.264 -9.155 232 HB2 LEU 44 HB2 LEU 44 38.022 20.890 -6.815 233 HB3 LEU 44 HB1 LEU 44 36.368 20.576 -6.324 234 HG LEU 44 HG LEU 44 36.369 18.523 -7.802 235 HD11 LEU 44 HD11 LEU 44 39.322 19.109 -8.117 236 HD12 LEU 44 HD12 LEU 44 38.098 19.164 -9.390 237 HD13 LEU 44 HD13 LEU 44 38.495 17.631 -8.621 238 HD21 LEU 44 HD21 LEU 44 36.779 18.345 -5.388 239 HD22 LEU 44 HD22 LEU 44 38.511 18.571 -5.647 240 HD23 LEU 44 HD23 LEU 44 37.700 17.133 -6.278 241 H ALA 45 HN ALA 45 34.321 21.745 -7.305 242 HA ALA 45 HA ALA 45 32.739 19.631 -8.221 243 HB1 ALA 45 HB1 ALA 45 31.887 22.397 -7.290 244 HB2 ALA 45 HB2 ALA 45 32.156 20.991 -6.260 245 HB3 ALA 45 HB3 ALA 45 30.826 20.986 -7.420 246 H ARG 46 HN ARG 46 32.796 23.026 -9.259 247 HA ARG 46 HA ARG 46 31.085 22.891 -11.466 248 HB2 ARG 46 HB2 ARG 46 31.533 25.035 -10.578 249 HB3 ARG 46 HB1 ARG 46 33.272 24.820 -10.608 250 HG2 ARG 46 HG2 ARG 46 31.814 24.908 -13.245 251 HG3 ARG 46 HG1 ARG 46 31.991 26.416 -12.343 252 HD2 ARG 46 HD2 ARG 46 34.404 26.211 -12.356 253 HD3 ARG 46 HD1 ARG 46 34.314 24.597 -13.082 254 HE ARG 46 HE ARG 46 33.025 26.231 -14.851 255 HH11 ARG 46 HH11 ARG 46 36.239 26.365 -13.437 256 HH12 ARG 46 HH12 ARG 46 36.972 26.994 -14.876 257 HH21 ARG 46 HH21 ARG 46 33.977 26.999 -16.724 258 HH22 ARG 46 HH22 ARG 46 35.673 27.357 -16.759 259 H ASP 47 HN ASP 47 34.573 22.369 -11.258 260 HA ASP 47 HA ASP 47 35.199 22.155 -14.011 261 HB2 ASP 47 HB2 ASP 47 36.966 22.407 -12.332 262 HB3 ASP 47 HB1 ASP 47 36.504 20.902 -11.552 263 H LEU 48 HN LEU 48 34.276 19.679 -11.613 264 HA LEU 48 HA LEU 48 34.479 17.424 -13.371 265 HB2 LEU 48 HB2 LEU 48 33.065 17.740 -10.689 266 HB3 LEU 48 HB1 LEU 48 33.230 16.199 -11.525 267 HG LEU 48 HG LEU 48 35.477 17.894 -10.366 268 HD11 LEU 48 HD11 LEU 48 35.860 16.011 -8.854 269 HD12 LEU 48 HD12 LEU 48 34.477 15.152 -9.543 270 HD13 LEU 48 HD13 LEU 48 34.236 16.669 -8.671 271 HD21 LEU 48 HD21 LEU 48 35.706 15.311 -11.932 272 HD22 LEU 48 HD22 LEU 48 37.019 16.115 -11.066 273 HD23 LEU 48 HD23 LEU 48 36.258 16.911 -12.437 274 H LEU 49 HN LEU 49 31.837 19.462 -12.246 275 HA LEU 49 HA LEU 49 29.660 18.052 -13.337 276 HB2 LEU 49 HB2 LEU 49 30.004 20.965 -12.532 277 HB3 LEU 49 HB1 LEU 49 28.476 20.347 -13.150 278 HG LEU 49 HG LEU 49 29.852 19.189 -10.689 279 HD11 LEU 49 HD11 LEU 49 28.268 20.415 -9.302 280 HD12 LEU 49 HD12 LEU 49 27.601 21.217 -10.727 281 HD13 LEU 49 HD13 LEU 49 29.270 21.522 -10.239 282 HD21 LEU 49 HD21 LEU 49 27.651 18.164 -10.266 283 HD22 LEU 49 HD22 LEU 49 28.346 17.637 -11.793 284 HD23 LEU 49 HD23 LEU 49 27.046 18.830 -11.789 285 H GLU 50 HN GLU 50 31.294 21.003 -14.606 286 HA GLU 50 HA GLU 50 29.993 21.091 -17.090 287 HB2 GLU 50 HB2 GLU 50 32.736 22.159 -16.297 288 HB3 GLU 50 HB1 GLU 50 31.985 22.510 -17.855 289 HG2 GLU 50 HG2 GLU 50 30.035 23.496 -16.606 290 HG3 GLU 50 HG1 GLU 50 30.934 23.285 -15.108 291 H GLY 51 HN GLY 51 32.809 19.255 -16.078 292 HA2 GLY 51 HA2 GLY 51 33.670 18.246 -18.571 293 HA3 GLY 51 HA1 GLY 51 33.864 17.453 -17.007 294 H LYS 52 HN LYS 52 31.091 17.231 -16.366 295 HA LYS 52 HA LYS 52 30.273 14.981 -18.087 296 HB2 LYS 52 HB2 LYS 52 29.161 15.734 -15.341 297 HB3 LYS 52 HB1 LYS 52 28.978 14.202 -16.191 298 HG2 LYS 52 HG2 LYS 52 31.505 15.308 -14.936 299 HG3 LYS 52 HG1 LYS 52 30.554 13.935 -14.378 300 HD2 LYS 52 HD2 LYS 52 31.250 12.591 -16.252 301 HD3 LYS 52 HD1 LYS 52 31.971 13.981 -17.072 302 HE2 LYS 52 HE2 LYS 52 33.685 14.148 -15.308 303 HE3 LYS 52 HE1 LYS 52 32.947 12.797 -14.448 304 HZ1 LYS 52 HZ1 LYS 52 33.459 11.364 -16.299 305 HZ2 LYS 52 HZ2 LYS 52 34.861 12.120 -15.732 306 HZ3 LYS 52 HZ3 LYS 52 34.129 12.650 -17.161 307 H ASN 53 HN ASN 53 29.739 18.055 -18.448 308 HA ASN 53 HA ASN 53 28.165 19.397 -19.371 309 HB2 ASN 53 HB2 ASN 53 27.859 17.437 -20.926 310 HB3 ASN 53 HB1 ASN 53 26.627 16.792 -19.850 311 HD21 ASN 53 HD21 ASN 53 25.057 16.815 -21.478 312 HD22 ASN 53 HD22 ASN 53 24.369 18.273 -22.094 313 H TRP 54 HN TRP 54 28.182 19.376 -16.732 314 HA TRP 54 HA TRP 54 27.230 19.640 -14.715 315 HB2 TRP 54 HB2 TRP 54 25.106 20.821 -16.517 316 HB3 TRP 54 HB1 TRP 54 24.989 20.917 -14.767 317 HD1 TRP 54 HD1 TRP 54 26.920 22.425 -17.705 318 HE1 TRP 54 HE1 TRP 54 28.239 24.457 -16.847 319 HE3 TRP 54 HE3 TRP 54 26.164 21.832 -12.685 320 HZ2 TRP 54 HZ2 TRP 54 28.897 25.634 -14.383 321 HZ3 TRP 54 HZ3 TRP 54 27.183 23.447 -11.130 322 HH2 TRP 54 HH2 TRP 54 28.528 25.317 -11.963 323 H ASP 55 HN ASP 55 26.534 17.007 -16.144 324 HA ASP 55 HA ASP 55 24.043 16.207 -14.982 325 HB2 ASP 55 HB2 ASP 55 25.165 15.053 -16.981 326 HB3 ASP 55 HB1 ASP 55 26.283 14.326 -15.836 327 H LEU 56 HN LEU 56 23.885 16.418 -12.897 328 HA LEU 56 HA LEU 56 25.769 16.531 -10.910 329 HB2 LEU 56 HB2 LEU 56 23.428 17.229 -10.632 330 HB3 LEU 56 HB1 LEU 56 22.896 15.560 -10.750 331 HG LEU 56 HG LEU 56 24.065 15.058 -8.587 332 HD11 LEU 56 HD11 LEU 56 24.591 18.042 -8.468 333 HD12 LEU 56 HD12 LEU 56 25.800 16.761 -8.613 334 HD13 LEU 56 HD13 LEU 56 24.833 16.894 -7.147 335 HD21 LEU 56 HD21 LEU 56 22.417 16.185 -7.139 336 HD22 LEU 56 HD22 LEU 56 21.675 15.554 -8.608 337 HD23 LEU 56 HD23 LEU 56 22.005 17.284 -8.461 338 H THR 57 HN THR 57 23.900 13.682 -11.934 339 HA THR 57 HA THR 57 24.772 11.892 -9.946 340 HB THR 57 HB THR 57 23.793 11.065 -12.722 341 HG1 THR 57 HG1 THR 57 21.861 11.815 -12.229 342 HG21 THR 57 HG21 THR 57 22.751 9.205 -11.493 343 HG22 THR 57 HG22 THR 57 23.381 9.832 -9.971 344 HG23 THR 57 HG23 THR 57 24.498 9.226 -11.198 345 H ALA 58 HN ALA 58 25.942 12.500 -13.242 346 HA ALA 58 HA ALA 58 27.802 10.329 -13.381 347 HB1 ALA 58 HB1 ALA 58 26.842 11.377 -15.391 348 HB2 ALA 58 HB2 ALA 58 28.605 11.426 -15.433 349 HB3 ALA 58 HB3 ALA 58 27.688 12.883 -15.027 350 H ALA 59 HN ALA 59 28.042 13.718 -12.399 351 HA ALA 59 HA ALA 59 30.913 13.786 -12.185 352 HB1 ALA 59 HB1 ALA 59 29.597 15.841 -12.520 353 HB2 ALA 59 HB2 ALA 59 30.580 15.943 -11.057 354 HB3 ALA 59 HB3 ALA 59 28.846 15.629 -10.937 355 H LEU 60 HN LEU 60 28.235 13.223 -9.894 356 HA LEU 60 HA LEU 60 29.700 12.910 -7.492 357 HB2 LEU 60 HB2 LEU 60 27.116 11.575 -8.413 358 HB3 LEU 60 HB1 LEU 60 27.734 11.454 -6.772 359 HG LEU 60 HG LEU 60 26.900 14.071 -8.096 360 HD11 LEU 60 HD11 LEU 60 24.879 13.964 -6.709 361 HD12 LEU 60 HD12 LEU 60 25.341 12.359 -6.132 362 HD13 LEU 60 HD13 LEU 60 24.962 12.615 -7.838 363 HD21 LEU 60 HD21 LEU 60 26.982 15.008 -5.833 364 HD22 LEU 60 HD22 LEU 60 28.556 14.392 -6.327 365 HD23 LEU 60 HD23 LEU 60 27.564 13.464 -5.197 366 H SER 61 HN SER 61 28.692 10.584 -9.979 367 HA SER 61 HA SER 61 29.808 8.219 -8.909 368 HB2 SER 61 HB2 SER 61 29.238 8.912 -11.826 369 HB3 SER 61 HB1 SER 61 29.549 7.284 -11.215 370 HG SER 61 HG SER 61 27.263 8.753 -11.170 371 H ASP 62 HN ASP 62 31.132 10.758 -10.955 372 HA ASP 62 HA ASP 62 33.563 9.476 -11.741 373 HB2 ASP 62 HB2 ASP 62 32.704 11.429 -12.978 374 HB3 ASP 62 HB1 ASP 62 32.849 12.442 -11.546 375 H TYR 63 HN TYR 63 32.797 11.861 -9.199 376 HA TYR 63 HA TYR 63 35.364 12.253 -8.160 377 HB2 TYR 63 HB2 TYR 63 33.452 13.756 -7.702 378 HB3 TYR 63 HB1 TYR 63 32.665 12.498 -6.758 379 HD1 TYR 63 HD1 TYR 63 35.624 14.780 -6.836 380 HD2 TYR 63 HD2 TYR 63 33.227 12.190 -4.422 381 HE1 TYR 63 HE1 TYR 63 36.786 15.573 -4.820 382 HE2 TYR 63 HE2 TYR 63 34.383 12.991 -2.409 383 HH TYR 63 HH TYR 63 36.333 15.731 -2.360 384 H GLU 64 HN GLU 64 32.779 10.038 -7.056 385 HA GLU 64 HA GLU 64 34.265 8.889 -4.918 386 HB2 GLU 64 HB2 GLU 64 32.521 7.129 -4.837 387 HB3 GLU 64 HB1 GLU 64 31.817 8.740 -4.928 388 HG2 GLU 64 HG2 GLU 64 31.326 8.432 -7.297 389 HG3 GLU 64 HG1 GLU 64 32.127 6.868 -7.288 390 H GLN 65 HN GLN 65 33.861 7.969 -8.350 391 HA GLN 65 HA GLN 65 34.976 5.378 -8.205 392 HB2 GLN 65 HB2 GLN 65 33.604 6.174 -10.122 393 HB3 GLN 65 HB1 GLN 65 34.902 7.262 -10.602 394 HG2 GLN 65 HG2 GLN 65 36.371 5.336 -11.057 395 HG3 GLN 65 HG1 GLN 65 35.097 4.226 -10.544 396 HE21 GLN 65 HE21 GLN 65 33.244 4.004 -11.876 397 HE22 GLN 65 HE22 GLN 65 33.256 4.460 -13.540 398 H LEU 66 HN LEU 66 36.452 8.524 -9.049 399 HA LEU 66 HA LEU 66 39.049 7.466 -9.578 400 HB2 LEU 66 HB2 LEU 66 39.824 9.775 -9.678 401 HB3 LEU 66 HB1 LEU 66 38.316 9.585 -10.542 402 HG LEU 66 HG LEU 66 37.249 10.544 -8.288 403 HD11 LEU 66 HD11 LEU 66 39.288 10.632 -6.954 404 HD12 LEU 66 HD12 LEU 66 38.604 12.237 -7.183 405 HD13 LEU 66 HD13 LEU 66 40.023 11.747 -8.114 406 HD21 LEU 66 HD21 LEU 66 37.024 11.619 -10.465 407 HD22 LEU 66 HD22 LEU 66 38.629 12.340 -10.301 408 HD23 LEU 66 HD23 LEU 66 37.326 12.815 -9.205 409 H ARG 67 HN ARG 67 37.403 8.546 -6.669 410 HA ARG 67 HA ARG 67 39.795 8.411 -5.015 411 HB2 ARG 67 HB2 ARG 67 36.877 8.985 -4.405 412 HB3 ARG 67 HB1 ARG 67 38.047 8.725 -3.113 413 HG2 ARG 67 HG2 ARG 67 39.429 10.608 -4.111 414 HG3 ARG 67 HG1 ARG 67 38.064 10.935 -5.183 415 HD2 ARG 67 HD2 ARG 67 38.080 12.409 -3.197 416 HD3 ARG 67 HD1 ARG 67 36.624 11.408 -3.263 417 HE ARG 67 HE ARG 67 38.507 10.052 -1.732 418 HH11 ARG 67 HH11 ARG 67 36.765 13.084 -1.437 419 HH12 ARG 67 HH12 ARG 67 36.689 12.996 0.292 420 HH21 ARG 67 HH21 ARG 67 38.398 9.936 0.495 421 HH22 ARG 67 HH22 ARG 67 37.608 11.194 1.387 422 H GLN 68 HN GLN 68 37.782 5.972 -6.249 423 HA GLN 68 HA GLN 68 37.812 4.189 -3.994 424 HB2 GLN 68 HB2 GLN 68 37.566 3.515 -6.963 425 HB3 GLN 68 HB1 GLN 68 37.307 2.374 -5.648 426 HG2 GLN 68 HG2 GLN 68 35.631 4.815 -6.295 427 HG3 GLN 68 HG1 GLN 68 35.183 3.133 -6.540 428 HE21 GLN 68 HE21 GLN 68 35.579 5.691 -4.178 429 HE22 GLN 68 HE22 GLN 68 34.763 4.894 -2.881 430 H VAL 69 HN VAL 69 39.662 4.146 -7.039 431 HA VAL 69 HA VAL 69 41.666 3.334 -7.678 432 HB VAL 69 HB VAL 69 42.651 3.966 -4.847 433 HG11 VAL 69 HG11 VAL 69 44.164 3.932 -7.500 434 HG12 VAL 69 HG12 VAL 69 44.313 2.742 -6.202 435 HG13 VAL 69 HG13 VAL 69 44.836 4.405 -5.936 436 HG21 VAL 69 HG21 VAL 69 42.401 5.892 -7.194 437 HG22 VAL 69 HG22 VAL 69 43.172 6.250 -5.646 438 HG23 VAL 69 HG23 VAL 69 41.441 5.922 -5.712 439 H HIS 70 HN HIS 70 40.018 1.334 -7.300 440 HA HIS 70 HA HIS 70 40.990 -0.683 -5.432 441 HB2 HIS 70 HB2 HIS 70 38.534 -0.412 -6.103 442 HB3 HIS 70 HB1 HIS 70 38.960 -1.035 -7.689 443 HD1 HIS 70 HD1 HIS 70 37.667 -2.121 -4.535 444 HD2 HIS 70 HD2 HIS 70 40.143 -3.834 -7.405 445 HE1 HIS 70 HE1 HIS 70 37.581 -4.595 -4.108 446 HE2 HIS 70 HE2 HIS 70 39.223 -5.584 -5.729 447 H THR 71 HN THR 71 40.903 -0.179 -8.951 448 HA THR 71 HA THR 71 42.686 -2.423 -9.509 449 HB THR 71 HB THR 71 41.585 -0.328 -11.453 450 HG1 THR 71 HG1 THR 71 40.409 -2.625 -10.322 451 HG21 THR 71 HG21 THR 71 43.449 -1.700 -12.375 452 HG22 THR 71 HG22 THR 71 41.914 -2.045 -13.172 453 HG23 THR 71 HG23 THR 71 42.551 -3.170 -11.972 454 H ALA 72 HN ALA 72 42.706 1.085 -9.342 455 HA ALA 72 HA ALA 72 44.258 2.718 -9.350 456 HB1 ALA 72 HB1 ALA 72 46.592 2.229 -8.746 457 HB2 ALA 72 HB2 ALA 72 46.321 0.512 -9.052 458 HB3 ALA 72 HB3 ALA 72 45.480 1.310 -7.722 459 H ASN 73 HN ASN 73 43.674 0.898 -11.875 460 HA ASN 73 HA ASN 73 45.796 1.940 -13.668 461 HB2 ASN 73 HB2 ASN 73 44.105 -0.593 -13.977 462 HB3 ASN 73 HB1 ASN 73 45.283 -0.009 -15.154 463 HD21 ASN 73 HD21 ASN 73 45.159 -2.548 -13.671 464 HD22 ASN 73 HD22 ASN 73 46.669 -2.681 -12.850 465 H LEU 74 HN LEU 74 44.993 3.673 -14.643 466 HA LEU 74 HA LEU 74 42.508 3.514 -16.145 467 HB2 LEU 74 HB2 LEU 74 41.661 5.690 -15.343 468 HB3 LEU 74 HB1 LEU 74 41.675 4.486 -14.073 469 HG LEU 74 HG LEU 74 43.847 6.621 -14.298 470 HD11 LEU 74 HD11 LEU 74 41.288 6.806 -12.672 471 HD12 LEU 74 HD12 LEU 74 41.693 7.765 -14.100 472 HD13 LEU 74 HD13 LEU 74 42.640 7.943 -12.626 473 HD21 LEU 74 HD21 LEU 74 44.445 4.695 -12.877 474 HD22 LEU 74 HD22 LEU 74 42.981 4.924 -11.918 475 HD23 LEU 74 HD23 LEU 74 44.246 6.157 -11.911 476 HA PRO 75 HA PRO 75 45.310 5.374 -19.047 477 HB2 PRO 75 HB2 PRO 75 42.957 6.195 -20.689 478 HB3 PRO 75 HB1 PRO 75 44.230 5.023 -21.058 479 HG2 PRO 75 HG2 PRO 75 41.715 4.238 -20.500 480 HG3 PRO 75 HG1 PRO 75 43.119 3.277 -19.983 481 HD2 PRO 75 HD2 PRO 75 41.462 5.229 -18.362 482 HD3 PRO 75 HD1 PRO 75 42.005 3.586 -17.940 483 H HIS 76 HN HIS 76 46.165 7.163 -18.037 484 HA HIS 76 HA HIS 76 44.749 9.742 -18.120 485 HB2 HIS 76 HB2 HIS 76 46.445 10.614 -16.660 486 HB3 HIS 76 HB1 HIS 76 46.006 9.036 -16.030 487 HD1 HIS 76 HD1 HIS 76 48.868 11.014 -17.191 488 HD2 HIS 76 HD2 HIS 76 48.073 6.998 -16.474 489 HE1 HIS 76 HE1 HIS 76 51.112 9.912 -17.024 490 HE2 HIS 76 HE2 HIS 76 50.609 7.464 -16.764 491 H VAL 77 HN VAL 77 45.777 11.610 -19.069 492 HA VAL 77 HA VAL 77 47.070 11.112 -21.597 493 HB VAL 77 HB VAL 77 47.105 13.586 -21.873 494 HG11 VAL 77 HG11 VAL 77 44.440 12.526 -20.841 495 HG12 VAL 77 HG12 VAL 77 45.063 12.355 -22.484 496 HG13 VAL 77 HG13 VAL 77 44.652 13.953 -21.861 497 HG21 VAL 77 HG21 VAL 77 46.129 15.077 -20.134 498 HG22 VAL 77 HG22 VAL 77 47.579 14.260 -19.547 499 HG23 VAL 77 HG23 VAL 77 45.987 13.696 -19.037 500 H PHE 78 HN PHE 78 49.117 12.137 -22.221 501 HA PHE 78 HA PHE 78 51.226 11.702 -20.242 502 HB2 PHE 78 HB2 PHE 78 52.756 11.727 -22.160 503 HB3 PHE 78 HB1 PHE 78 51.379 10.720 -22.576 504 HD1 PHE 78 HD2 PHE 78 49.489 11.847 -24.034 505 HD2 PHE 78 HD1 PHE 78 53.428 13.475 -23.639 506 HE1 PHE 78 HE2 PHE 78 49.158 13.174 -26.083 507 HE2 PHE 78 HE1 PHE 78 53.082 14.798 -25.683 508 HZ PHE 78 HZ PHE 78 50.954 14.646 -26.906 509 H ASN 79 HN ASN 79 49.502 14.076 -19.934 510 HA ASN 79 HA ASN 79 49.368 16.318 -19.744 511 HB2 ASN 79 HB2 ASN 79 51.646 16.028 -18.638 512 HB3 ASN 79 HB1 ASN 79 52.402 16.379 -20.183 513 HD21 ASN 79 HD21 ASN 79 53.444 18.183 -19.483 514 HD22 ASN 79 HD22 ASN 79 52.655 19.635 -18.990 515 H GLU 80 HN GLU 80 49.793 18.448 -21.137 516 HA GLU 80 HA GLU 80 49.458 18.006 -23.920 517 HB2 GLU 80 HB2 GLU 80 48.659 20.077 -22.861 518 HB3 GLU 80 HB1 GLU 80 50.297 20.510 -22.392 519 HG2 GLU 80 HG2 GLU 80 49.506 21.845 -24.305 520 HG3 GLU 80 HG1 GLU 80 50.922 20.877 -24.717 521 H GLY 81 HN GLY 81 50.964 17.948 -25.584 522 HA2 GLY 81 HA2 GLY 81 53.677 17.247 -24.997 523 HA3 GLY 81 HA1 GLY 81 52.973 17.473 -26.587 524 H ARG 82 HN ARG 82 55.598 18.340 -25.691 525 HA ARG 82 HA ARG 82 55.663 21.124 -25.151 526 HB2 ARG 82 HB2 ARG 82 57.753 19.248 -26.314 527 HB3 ARG 82 HB1 ARG 82 58.079 20.939 -25.938 528 HG2 ARG 82 HG2 ARG 82 57.576 20.529 -23.556 529 HG3 ARG 82 HG1 ARG 82 57.195 18.842 -23.920 530 HD2 ARG 82 HD2 ARG 82 59.504 18.413 -24.587 531 HD3 ARG 82 HD1 ARG 82 59.922 20.119 -24.378 532 HE ARG 82 HE ARG 82 59.009 19.423 -21.919 533 HH11 ARG 82 HH11 ARG 82 61.397 17.889 -23.997 534 HH12 ARG 82 HH12 ARG 82 62.373 17.361 -22.668 535 HH21 ARG 82 HH21 ARG 82 60.307 18.702 -20.205 536 HH22 ARG 82 HH22 ARG 82 61.758 17.816 -20.525 537 H GLY 83 HN GLY 83 54.702 22.522 -26.471 538 HA2 GLY 83 HA2 GLY 83 55.549 23.322 -28.973 539 HA3 GLY 83 HA1 GLY 83 54.279 22.137 -29.274 Start of MODEL 12 1 H1 SER 11 HT1 SER 11 13.210 18.875 15.468 2 H2 SER 11 HT2 SER 11 12.247 17.483 15.500 3 H3 SER 11 HT3 SER 11 12.373 18.455 16.879 4 HA SER 11 HA SER 11 10.273 18.798 15.784 5 HB2 SER 11 HB2 SER 11 10.459 21.302 15.545 6 HB3 SER 11 HB1 SER 11 11.254 20.696 16.998 7 HG SER 11 HG SER 11 12.307 22.146 15.053 8 H ALA 12 HN ALA 12 9.155 19.738 13.923 9 HA ALA 12 HA ALA 12 10.294 18.863 11.379 10 HB1 ALA 12 HB1 ALA 12 7.486 19.824 12.041 11 HB2 ALA 12 HB2 ALA 12 8.014 18.142 11.984 12 HB3 ALA 12 HB3 ALA 12 8.008 19.112 10.510 13 H GLU 13 HN GLU 13 10.906 20.177 9.802 14 HA GLU 13 HA GLU 13 9.974 22.881 9.433 15 HB2 GLU 13 HB2 GLU 13 12.257 23.911 9.392 16 HB3 GLU 13 HB1 GLU 13 11.774 23.375 10.994 17 HG2 GLU 13 HG2 GLU 13 13.183 21.332 10.689 18 HG3 GLU 13 HG1 GLU 13 13.731 21.976 9.144 19 H CYS 14 HN CYS 14 12.450 20.512 8.507 20 HA CYS 14 HA CYS 14 12.913 19.363 6.654 21 HB2 CYS 14 HB2 CYS 14 10.092 20.043 5.762 22 HB3 CYS 14 HB1 CYS 14 11.054 18.645 5.278 23 HG CYS 14 HG CYS 14 10.300 17.089 7.197 24 H TRP 15 HN TRP 15 14.545 20.628 5.786 25 HA TRP 15 HA TRP 15 13.916 22.559 3.657 26 HB2 TRP 15 HB2 TRP 15 16.562 21.686 4.908 27 HB3 TRP 15 HB1 TRP 15 16.445 22.826 3.574 28 HD1 TRP 15 HD1 TRP 15 15.612 22.558 7.344 29 HE1 TRP 15 HE1 TRP 15 15.420 24.940 8.291 30 HE3 TRP 15 HE3 TRP 15 15.963 25.192 2.973 31 HZ2 TRP 15 HZ2 TRP 15 15.401 27.600 7.308 32 HZ3 TRP 15 HZ3 TRP 15 15.853 27.648 3.056 33 HH2 TRP 15 HH2 TRP 15 15.578 28.830 5.182 34 H ALA 16 HN ALA 16 12.889 20.886 2.345 35 HA ALA 16 HA ALA 16 14.667 19.748 0.393 36 HB1 ALA 16 HB1 ALA 16 13.050 17.806 2.105 37 HB2 ALA 16 HB2 ALA 16 14.806 17.961 2.103 38 HB3 ALA 16 HB3 ALA 16 13.977 17.383 0.658 39 H ALA 17 HN ALA 17 13.409 21.205 -0.884 40 HA ALA 17 HA ALA 17 10.809 20.099 -1.742 41 HB1 ALA 17 HB1 ALA 17 9.819 22.347 -1.881 42 HB2 ALA 17 HB2 ALA 17 11.291 23.054 -1.208 43 HB3 ALA 17 HB3 ALA 17 10.297 21.982 -0.220 44 H LEU 18 HN LEU 18 11.740 19.275 -3.595 45 HA LEU 18 HA LEU 18 12.155 21.281 -5.715 46 HB2 LEU 18 HB2 LEU 18 14.341 19.990 -4.840 47 HB3 LEU 18 HB1 LEU 18 13.729 18.690 -5.840 48 HG LEU 18 HG LEU 18 14.431 21.485 -6.855 49 HD11 LEU 18 HD11 LEU 18 16.416 20.474 -7.873 50 HD12 LEU 18 HD12 LEU 18 16.027 18.920 -7.131 51 HD13 LEU 18 HD13 LEU 18 16.440 20.304 -6.119 52 HD21 LEU 18 HD21 LEU 18 14.253 20.549 -9.121 53 HD22 LEU 18 HD22 LEU 18 12.717 20.432 -8.266 54 HD23 LEU 18 HD23 LEU 18 13.728 18.997 -8.456 55 H LEU 19 HN LEU 19 9.849 20.830 -5.704 56 HA LEU 19 HA LEU 19 9.071 18.381 -7.181 57 HB2 LEU 19 HB2 LEU 19 7.880 18.772 -5.025 58 HB3 LEU 19 HB1 LEU 19 7.353 20.343 -5.600 59 HG LEU 19 HG LEU 19 6.006 19.236 -7.382 60 HD11 LEU 19 HD11 LEU 19 7.315 17.208 -7.701 61 HD12 LEU 19 HD12 LEU 19 5.634 16.815 -7.357 62 HD13 LEU 19 HD13 LEU 19 6.855 16.627 -6.096 63 HD21 LEU 19 HD21 LEU 19 4.229 18.344 -5.938 64 HD22 LEU 19 HD22 LEU 19 4.919 19.815 -5.258 65 HD23 LEU 19 HD23 LEU 19 5.356 18.241 -4.582 66 H HIS 20 HN HIS 20 8.554 18.618 -9.241 67 HA HIS 20 HA HIS 20 8.300 19.425 -11.327 68 HB2 HIS 20 HB2 HIS 20 6.326 20.702 -10.411 69 HB3 HIS 20 HB1 HIS 20 7.390 22.060 -10.079 70 HD1 HIS 20 HD1 HIS 20 8.123 23.532 -12.101 71 HD2 HIS 20 HD2 HIS 20 5.631 20.358 -13.123 72 HE1 HIS 20 HE1 HIS 20 7.392 23.977 -14.473 73 HE2 HIS 20 HE2 HIS 20 5.744 22.148 -14.983 74 H ASP 21 HN ASP 21 9.454 20.789 -12.905 75 HA ASP 21 HA ASP 21 12.126 21.489 -11.989 76 HB2 ASP 21 HB2 ASP 21 10.852 21.410 -14.761 77 HB3 ASP 21 HB1 ASP 21 12.524 21.904 -14.491 78 HA PRO 22 HA PRO 22 11.209 26.001 -12.244 79 HB2 PRO 22 HB2 PRO 22 13.267 26.858 -10.737 80 HB3 PRO 22 HB1 PRO 22 11.832 26.142 -9.990 81 HG2 PRO 22 HG2 PRO 22 14.512 24.861 -10.551 82 HG3 PRO 22 HG1 PRO 22 13.514 24.760 -9.085 83 HD2 PRO 22 HD2 PRO 22 13.551 22.813 -11.058 84 HD3 PRO 22 HD1 PRO 22 12.173 23.089 -9.966 85 H MET 23 HN MET 23 13.719 23.922 -13.126 86 HA MET 23 HA MET 23 14.431 25.151 -15.558 87 HB2 MET 23 HB2 MET 23 15.738 26.619 -13.920 88 HB3 MET 23 HB1 MET 23 16.617 25.190 -13.411 89 HG2 MET 23 HG2 MET 23 17.575 24.971 -15.665 90 HG3 MET 23 HG1 MET 23 16.661 26.385 -16.198 91 HE1 MET 23 HE1 MET 23 18.836 27.679 -17.048 92 HE2 MET 23 HE2 MET 23 19.804 26.260 -16.641 93 HE3 MET 23 HE3 MET 23 20.302 27.857 -16.084 94 H THR 24 HN THR 24 15.167 23.459 -16.860 95 HA THR 24 HA THR 24 14.758 20.818 -16.018 96 HB THR 24 HB THR 24 16.457 21.597 -18.434 97 HG1 THR 24 HG1 THR 24 13.670 21.778 -17.979 98 HG21 THR 24 HG21 THR 24 15.463 19.570 -19.463 99 HG22 THR 24 HG22 THR 24 14.560 19.237 -17.982 100 HG23 THR 24 HG23 THR 24 16.322 19.147 -17.980 101 H LEU 25 HN LEU 25 17.829 22.499 -16.707 102 HA LEU 25 HA LEU 25 19.152 20.847 -14.645 103 HB2 LEU 25 HB2 LEU 25 19.988 20.434 -17.014 104 HB3 LEU 25 HB1 LEU 25 20.542 22.096 -17.054 105 HG LEU 25 HG LEU 25 21.522 20.118 -14.953 106 HD11 LEU 25 HD11 LEU 25 22.801 20.644 -17.644 107 HD12 LEU 25 HD12 LEU 25 22.038 19.144 -17.109 108 HD13 LEU 25 HD13 LEU 25 23.505 19.713 -16.316 109 HD21 LEU 25 HD21 LEU 25 22.773 22.702 -15.956 110 HD22 LEU 25 HD22 LEU 25 23.473 21.605 -14.760 111 HD23 LEU 25 HD23 LEU 25 21.979 22.459 -14.398 112 H ASP 26 HN ASP 26 18.963 22.169 -12.974 113 HA ASP 26 HA ASP 26 19.432 25.044 -13.211 114 HB2 ASP 26 HB2 ASP 26 17.491 24.128 -11.844 115 HB3 ASP 26 HB1 ASP 26 18.661 23.445 -10.721 116 H MET 27 HN MET 27 21.590 25.399 -13.427 117 HA MET 27 HA MET 27 23.691 23.765 -12.604 118 HB2 MET 27 HB2 MET 27 23.618 26.717 -13.298 119 HB3 MET 27 HB1 MET 27 25.125 25.900 -12.909 120 HG2 MET 27 HG2 MET 27 24.688 24.313 -14.795 121 HG3 MET 27 HG1 MET 27 23.287 25.297 -15.232 122 HE1 MET 27 HE1 MET 27 24.474 25.484 -17.731 123 HE2 MET 27 HE2 MET 27 25.855 24.567 -17.129 124 HE3 MET 27 HE3 MET 27 26.110 26.108 -17.950 125 H ASP 28 HN ASP 28 22.116 26.382 -10.828 126 HA ASP 28 HA ASP 28 24.025 26.677 -8.737 127 HB2 ASP 28 HB2 ASP 28 22.282 28.379 -9.203 128 HB3 ASP 28 HB1 ASP 28 21.028 27.235 -8.749 129 H ALA 29 HN ALA 29 21.054 24.734 -9.040 130 HA ALA 29 HA ALA 29 21.158 23.554 -6.440 131 HB1 ALA 29 HB1 ALA 29 19.399 22.048 -7.265 132 HB2 ALA 29 HB2 ALA 29 19.699 22.585 -8.923 133 HB3 ALA 29 HB3 ALA 29 19.068 23.718 -7.725 134 H VAL 30 HN VAL 30 22.454 22.625 -9.579 135 HA VAL 30 HA VAL 30 23.195 19.942 -8.926 136 HB VAL 30 HB VAL 30 24.204 21.779 -11.161 137 HG11 VAL 30 HG11 VAL 30 24.590 18.782 -10.843 138 HG12 VAL 30 HG12 VAL 30 25.853 20.009 -10.730 139 HG13 VAL 30 HG13 VAL 30 25.034 19.729 -12.265 140 HG21 VAL 30 HG21 VAL 30 22.125 19.557 -11.234 141 HG22 VAL 30 HG22 VAL 30 22.682 20.496 -12.622 142 HG23 VAL 30 HG23 VAL 30 21.790 21.288 -11.324 143 H LEU 31 HN LEU 31 24.963 23.037 -8.969 144 HA LEU 31 HA LEU 31 27.519 22.023 -8.238 145 HB2 LEU 31 HB2 LEU 31 27.194 24.213 -9.365 146 HB3 LEU 31 HB1 LEU 31 26.384 24.834 -7.942 147 HG LEU 31 HG LEU 31 28.506 24.668 -6.651 148 HD11 LEU 31 HD11 LEU 31 29.557 22.796 -7.813 149 HD12 LEU 31 HD12 LEU 31 30.632 24.191 -7.765 150 HD13 LEU 31 HD13 LEU 31 29.776 23.789 -9.257 151 HD21 LEU 31 HD21 LEU 31 29.701 26.515 -7.738 152 HD22 LEU 31 HD22 LEU 31 27.959 26.778 -7.778 153 HD23 LEU 31 HD23 LEU 31 28.802 26.234 -9.233 154 H SER 32 HN SER 32 24.907 23.548 -6.367 155 HA SER 32 HA SER 32 26.170 23.651 -3.847 156 HB2 SER 32 HB2 SER 32 24.202 25.008 -4.349 157 HB3 SER 32 HB1 SER 32 23.210 23.567 -4.575 158 HG SER 32 HG SER 32 24.533 24.104 -2.132 159 H ASP 33 HN ASP 33 24.003 21.233 -5.285 160 HA ASP 33 HA ASP 33 23.701 19.526 -3.044 161 HB2 ASP 33 HB2 ASP 33 22.226 19.526 -5.106 162 HB3 ASP 33 HB1 ASP 33 23.532 18.765 -5.999 163 H PHE 34 HN PHE 34 25.906 19.469 -5.841 164 HA PHE 34 HA PHE 34 27.217 17.050 -5.347 165 HB2 PHE 34 HB2 PHE 34 27.397 18.271 -7.493 166 HB3 PHE 34 HB1 PHE 34 28.321 19.547 -6.708 167 HD1 PHE 34 HD2 PHE 34 30.663 19.156 -6.028 168 HD2 PHE 34 HD1 PHE 34 28.439 16.115 -8.027 169 HE1 PHE 34 HE2 PHE 34 32.741 17.928 -6.472 170 HE2 PHE 34 HE1 PHE 34 30.522 14.900 -8.442 171 HZ PHE 34 HZ PHE 34 32.666 15.801 -7.674 172 H VAL 35 HN VAL 35 28.359 20.353 -4.546 173 HA VAL 35 HA VAL 35 30.692 19.766 -3.146 174 HB VAL 35 HB VAL 35 28.755 22.106 -2.858 175 HG11 VAL 35 HG11 VAL 35 30.045 22.001 -0.766 176 HG12 VAL 35 HG12 VAL 35 30.568 23.380 -1.735 177 HG13 VAL 35 HG13 VAL 35 31.553 21.917 -1.678 178 HG21 VAL 35 HG21 VAL 35 29.821 21.873 -5.069 179 HG22 VAL 35 HG22 VAL 35 31.415 21.863 -4.312 180 HG23 VAL 35 HG23 VAL 35 30.414 23.317 -4.239 181 H ARG 36 HN ARG 36 27.396 19.978 -2.003 182 HA ARG 36 HA ARG 36 27.821 19.808 0.793 183 HB2 ARG 36 HB2 ARG 36 25.794 20.744 -0.259 184 HB3 ARG 36 HB1 ARG 36 25.382 19.158 -0.904 185 HG2 ARG 36 HG2 ARG 36 25.062 18.316 1.403 186 HG3 ARG 36 HG1 ARG 36 25.458 19.923 2.033 187 HD2 ARG 36 HD2 ARG 36 23.537 20.863 0.778 188 HD3 ARG 36 HD1 ARG 36 23.137 19.239 0.200 189 HE ARG 36 HE ARG 36 23.244 19.249 3.023 190 HH11 ARG 36 HH11 ARG 36 21.202 20.365 0.384 191 HH12 ARG 36 HH12 ARG 36 19.769 20.387 1.356 192 HH21 ARG 36 HH21 ARG 36 21.346 19.302 4.264 193 HH22 ARG 36 HH22 ARG 36 19.855 19.793 3.535 194 H SER 37 HN SER 37 27.270 17.342 -1.704 195 HA SER 37 HA SER 37 26.854 15.201 0.245 196 HB2 SER 37 HB2 SER 37 26.852 15.169 -2.805 197 HB3 SER 37 HB1 SER 37 26.410 13.799 -1.778 198 HG SER 37 HG SER 37 25.080 16.287 -2.063 199 H THR 38 HN THR 38 29.318 16.146 -2.128 200 HA THR 38 HA THR 38 30.871 13.698 -1.788 201 HB THR 38 HB THR 38 32.326 14.633 -3.572 202 HG1 THR 38 HG1 THR 38 30.710 16.718 -4.266 203 HG21 THR 38 HG21 THR 38 30.339 13.331 -4.252 204 HG22 THR 38 HG22 THR 38 30.687 14.608 -5.416 205 HG23 THR 38 HG23 THR 38 29.368 14.807 -4.261 206 H GLY 39 HN GLY 39 30.936 17.037 -0.747 207 HA2 GLY 39 HA2 GLY 39 32.274 18.056 0.848 208 HA3 GLY 39 HA1 GLY 39 33.252 16.600 0.962 209 H ALA 40 HN ALA 40 32.773 17.704 -2.228 210 HA ALA 40 HA ALA 40 35.540 18.493 -2.575 211 HB1 ALA 40 HB1 ALA 40 34.350 17.182 -4.304 212 HB2 ALA 40 HB2 ALA 40 34.952 18.707 -4.953 213 HB3 ALA 40 HB3 ALA 40 33.237 18.526 -4.568 214 H GLU 41 HN GLU 41 36.222 20.551 -3.437 215 HA GLU 41 HA GLU 41 34.921 22.826 -2.202 216 HB2 GLU 41 HB2 GLU 41 36.879 24.053 -2.769 217 HB3 GLU 41 HB1 GLU 41 37.483 22.421 -2.504 218 HG2 GLU 41 HG2 GLU 41 37.373 22.077 -5.002 219 HG3 GLU 41 HG1 GLU 41 36.979 23.793 -5.153 220 HA PRO 42 HA PRO 42 32.263 24.274 -5.509 221 HB2 PRO 42 HB2 PRO 42 32.958 26.963 -5.844 222 HB3 PRO 42 HB1 PRO 42 31.940 26.353 -4.531 223 HG2 PRO 42 HG2 PRO 42 34.924 26.859 -4.532 224 HG3 PRO 42 HG1 PRO 42 33.717 27.370 -3.339 225 HD2 PRO 42 HD2 PRO 42 35.202 25.258 -2.813 226 HD3 PRO 42 HD1 PRO 42 33.452 25.166 -2.481 227 H GLY 43 HN GLY 43 35.683 25.148 -5.965 228 HA2 GLY 43 HA2 GLY 43 35.546 25.697 -8.771 229 HA3 GLY 43 HA1 GLY 43 37.004 25.430 -7.823 230 H LEU 44 HN LEU 44 36.776 22.924 -6.922 231 HA LEU 44 HA LEU 44 37.482 21.226 -9.064 232 HB2 LEU 44 HB2 LEU 44 38.229 20.862 -6.710 233 HB3 LEU 44 HB1 LEU 44 36.582 20.478 -6.249 234 HG LEU 44 HG LEU 44 36.700 18.490 -7.862 235 HD11 LEU 44 HD11 LEU 44 38.560 19.234 -9.251 236 HD12 LEU 44 HD12 LEU 44 38.912 17.672 -8.515 237 HD13 LEU 44 HD13 LEU 44 39.656 19.138 -7.868 238 HD21 LEU 44 HD21 LEU 44 36.889 18.199 -5.434 239 HD22 LEU 44 HD22 LEU 44 38.631 18.470 -5.524 240 HD23 LEU 44 HD23 LEU 44 37.917 17.052 -6.296 241 H ALA 45 HN ALA 45 34.553 21.573 -7.150 242 HA ALA 45 HA ALA 45 32.949 19.515 -8.097 243 HB1 ALA 45 HB1 ALA 45 32.378 20.894 -6.142 244 HB2 ALA 45 HB2 ALA 45 31.049 20.897 -7.305 245 HB3 ALA 45 HB3 ALA 45 32.122 22.294 -7.181 246 H ARG 46 HN ARG 46 32.960 22.903 -9.092 247 HA ARG 46 HA ARG 46 31.279 22.831 -11.291 248 HB2 ARG 46 HB2 ARG 46 31.791 24.948 -10.425 249 HB3 ARG 46 HB1 ARG 46 33.517 24.647 -10.386 250 HG2 ARG 46 HG2 ARG 46 32.207 24.839 -13.083 251 HG3 ARG 46 HG1 ARG 46 32.374 26.323 -12.145 252 HD2 ARG 46 HD2 ARG 46 34.819 25.941 -11.978 253 HD3 ARG 46 HD1 ARG 46 34.651 24.458 -12.933 254 HE ARG 46 HE ARG 46 33.585 26.215 -14.607 255 HH11 ARG 46 HH11 ARG 46 36.553 26.562 -12.737 256 HH12 ARG 46 HH12 ARG 46 37.320 27.561 -13.927 257 HH21 ARG 46 HH21 ARG 46 34.612 27.491 -16.159 258 HH22 ARG 46 HH22 ARG 46 36.211 28.098 -15.868 259 H ASP 47 HN ASP 47 34.766 22.218 -11.131 260 HA ASP 47 HA ASP 47 35.329 22.087 -13.901 261 HB2 ASP 47 HB2 ASP 47 37.118 22.331 -12.212 262 HB3 ASP 47 HB1 ASP 47 36.749 20.742 -11.556 263 H LEU 48 HN LEU 48 34.556 19.501 -11.547 264 HA LEU 48 HA LEU 48 34.705 17.318 -13.400 265 HB2 LEU 48 HB2 LEU 48 33.137 17.404 -10.782 266 HB3 LEU 48 HB1 LEU 48 33.595 15.948 -11.675 267 HG LEU 48 HG LEU 48 35.488 17.859 -10.233 268 HD11 LEU 48 HD11 LEU 48 34.736 15.000 -9.576 269 HD12 LEU 48 HD12 LEU 48 34.221 16.446 -8.702 270 HD13 LEU 48 HD13 LEU 48 35.922 15.992 -8.721 271 HD21 LEU 48 HD21 LEU 48 36.579 16.977 -12.236 272 HD22 LEU 48 HD22 LEU 48 36.177 15.326 -11.750 273 HD23 LEU 48 HD23 LEU 48 37.289 16.293 -10.775 274 H LEU 49 HN LEU 49 32.140 19.462 -12.330 275 HA LEU 49 HA LEU 49 29.931 18.219 -13.574 276 HB2 LEU 49 HB2 LEU 49 30.411 21.107 -12.761 277 HB3 LEU 49 HB1 LEU 49 28.882 20.555 -13.431 278 HG LEU 49 HG LEU 49 30.115 19.457 -10.866 279 HD11 LEU 49 HD11 LEU 49 28.424 20.718 -9.638 280 HD12 LEU 49 HD12 LEU 49 27.844 21.442 -11.142 281 HD13 LEU 49 HD13 LEU 49 29.472 21.800 -10.557 282 HD21 LEU 49 HD21 LEU 49 28.665 17.841 -11.989 283 HD22 LEU 49 HD22 LEU 49 27.362 19.026 -12.066 284 HD23 LEU 49 HD23 LEU 49 27.918 18.421 -10.502 285 H GLU 50 HN GLU 50 32.236 20.697 -14.751 286 HA GLU 50 HA GLU 50 31.034 21.204 -17.250 287 HB2 GLU 50 HB2 GLU 50 33.973 21.322 -16.454 288 HB3 GLU 50 HB1 GLU 50 33.341 21.953 -17.973 289 HG2 GLU 50 HG2 GLU 50 31.941 23.551 -16.732 290 HG3 GLU 50 HG1 GLU 50 32.565 22.927 -15.210 291 H GLY 51 HN GLY 51 33.234 18.666 -16.200 292 HA2 GLY 51 HA2 GLY 51 33.749 17.436 -18.712 293 HA3 GLY 51 HA1 GLY 51 33.905 16.687 -17.127 294 H LYS 52 HN LYS 52 30.993 17.339 -16.573 295 HA LYS 52 HA LYS 52 29.812 15.010 -17.987 296 HB2 LYS 52 HB2 LYS 52 29.022 16.171 -15.271 297 HB3 LYS 52 HB1 LYS 52 28.387 14.697 -16.007 298 HG2 LYS 52 HG2 LYS 52 31.223 15.168 -15.051 299 HG3 LYS 52 HG1 LYS 52 30.010 14.140 -14.281 300 HD2 LYS 52 HD2 LYS 52 30.079 12.573 -16.144 301 HD3 LYS 52 HD1 LYS 52 31.106 13.662 -17.084 302 HE2 LYS 52 HE2 LYS 52 31.894 12.288 -14.495 303 HE3 LYS 52 HE1 LYS 52 32.411 11.825 -16.108 304 HZ1 LYS 52 HZ1 LYS 52 33.478 14.002 -16.334 305 HZ2 LYS 52 HZ2 LYS 52 34.117 13.118 -15.042 306 HZ3 LYS 52 HZ3 LYS 52 33.038 14.387 -14.748 307 H ASN 53 HN ASN 53 29.765 18.167 -18.445 308 HA ASN 53 HA ASN 53 28.367 19.761 -19.231 309 HB2 ASN 53 HB2 ASN 53 27.988 17.952 -20.959 310 HB3 ASN 53 HB1 ASN 53 26.577 17.424 -20.047 311 HD21 ASN 53 HD21 ASN 53 27.952 20.122 -21.886 312 HD22 ASN 53 HD22 ASN 53 26.434 20.807 -22.349 313 H TRP 54 HN TRP 54 28.267 19.325 -16.639 314 HA TRP 54 HA TRP 54 27.361 19.726 -14.655 315 HB2 TRP 54 HB2 TRP 54 25.464 21.270 -16.433 316 HB3 TRP 54 HB1 TRP 54 25.333 21.309 -14.678 317 HD1 TRP 54 HD1 TRP 54 27.880 22.239 -17.456 318 HE1 TRP 54 HE1 TRP 54 29.369 24.132 -16.555 319 HE3 TRP 54 HE3 TRP 54 26.091 22.433 -12.704 320 HZ2 TRP 54 HZ2 TRP 54 29.736 25.537 -14.121 321 HZ3 TRP 54 HZ3 TRP 54 27.033 24.084 -11.136 322 HH2 TRP 54 HH2 TRP 54 28.828 25.606 -11.828 323 H ASP 55 HN ASP 55 26.596 17.253 -15.961 324 HA ASP 55 HA ASP 55 23.991 16.548 -14.931 325 HB2 ASP 55 HB2 ASP 55 25.186 15.330 -16.852 326 HB3 ASP 55 HB1 ASP 55 26.255 14.623 -15.651 327 H LEU 56 HN LEU 56 23.596 16.315 -12.855 328 HA LEU 56 HA LEU 56 25.482 16.586 -10.787 329 HB2 LEU 56 HB2 LEU 56 23.111 17.213 -10.539 330 HB3 LEU 56 HB1 LEU 56 22.629 15.531 -10.701 331 HG LEU 56 HG LEU 56 23.826 15.012 -8.552 332 HD11 LEU 56 HD11 LEU 56 25.485 16.799 -8.531 333 HD12 LEU 56 HD12 LEU 56 24.511 16.854 -7.062 334 HD13 LEU 56 HD13 LEU 56 24.214 18.014 -8.361 335 HD21 LEU 56 HD21 LEU 56 22.152 16.038 -7.065 336 HD22 LEU 56 HD22 LEU 56 21.419 15.409 -8.538 337 HD23 LEU 56 HD23 LEU 56 21.682 17.147 -8.356 338 H THR 57 HN THR 57 23.601 13.705 -11.781 339 HA THR 57 HA THR 57 24.602 11.962 -9.798 340 HB THR 57 HB THR 57 23.327 11.241 -12.473 341 HG1 THR 57 HG1 THR 57 22.213 11.892 -9.925 342 HG21 THR 57 HG21 THR 57 23.446 9.676 -9.866 343 HG22 THR 57 HG22 THR 57 24.325 9.271 -11.344 344 HG23 THR 57 HG23 THR 57 22.562 9.198 -11.313 345 H ALA 58 HN ALA 58 25.577 12.495 -13.159 346 HA ALA 58 HA ALA 58 27.468 10.379 -13.404 347 HB1 ALA 58 HB1 ALA 58 28.226 11.558 -15.433 348 HB2 ALA 58 HB2 ALA 58 27.302 12.988 -14.956 349 HB3 ALA 58 HB3 ALA 58 26.463 11.491 -15.363 350 H ALA 59 HN ALA 59 27.724 13.740 -12.336 351 HA ALA 59 HA ALA 59 30.590 13.760 -12.105 352 HB1 ALA 59 HB1 ALA 59 28.542 15.617 -10.873 353 HB2 ALA 59 HB2 ALA 59 29.316 15.828 -12.444 354 HB3 ALA 59 HB3 ALA 59 30.284 15.907 -10.970 355 H LEU 60 HN LEU 60 27.884 13.179 -9.850 356 HA LEU 60 HA LEU 60 29.313 12.918 -7.433 357 HB2 LEU 60 HB2 LEU 60 26.793 11.478 -8.361 358 HB3 LEU 60 HB1 LEU 60 27.394 11.421 -6.711 359 HG LEU 60 HG LEU 60 26.469 13.961 -8.118 360 HD11 LEU 60 HD11 LEU 60 24.594 12.435 -7.796 361 HD12 LEU 60 HD12 LEU 60 24.460 13.828 -6.725 362 HD13 LEU 60 HD13 LEU 60 24.990 12.269 -6.083 363 HD21 LEU 60 HD21 LEU 60 28.108 14.415 -6.355 364 HD22 LEU 60 HD22 LEU 60 27.147 13.493 -5.198 365 HD23 LEU 60 HD23 LEU 60 26.505 14.985 -5.892 366 H SER 61 HN SER 61 28.534 10.607 -9.987 367 HA SER 61 HA SER 61 29.780 8.307 -8.850 368 HB2 SER 61 HB2 SER 61 28.962 8.906 -11.720 369 HB3 SER 61 HB1 SER 61 29.420 7.311 -11.111 370 HG SER 61 HG SER 61 27.410 8.697 -9.750 371 H ASP 62 HN ASP 62 30.894 10.949 -10.868 372 HA ASP 62 HA ASP 62 33.345 9.810 -11.801 373 HB2 ASP 62 HB2 ASP 62 32.307 11.758 -12.913 374 HB3 ASP 62 HB1 ASP 62 32.505 12.722 -11.456 375 H TYR 63 HN TYR 63 32.571 12.068 -9.156 376 HA TYR 63 HA TYR 63 35.145 12.429 -8.113 377 HB2 TYR 63 HB2 TYR 63 33.225 13.911 -7.601 378 HB3 TYR 63 HB1 TYR 63 32.466 12.623 -6.671 379 HD1 TYR 63 HD1 TYR 63 35.238 15.093 -6.714 380 HD2 TYR 63 HD2 TYR 63 33.282 12.069 -4.404 381 HE1 TYR 63 HE1 TYR 63 36.431 15.843 -4.697 382 HE2 TYR 63 HE2 TYR 63 34.468 12.834 -2.400 383 HH TYR 63 HH TYR 63 36.083 15.766 -2.219 384 H GLU 64 HN GLU 64 32.535 10.198 -7.092 385 HA GLU 64 HA GLU 64 34.017 8.975 -4.996 386 HB2 GLU 64 HB2 GLU 64 32.232 7.333 -4.854 387 HB3 GLU 64 HB1 GLU 64 31.503 8.907 -5.166 388 HG2 GLU 64 HG2 GLU 64 31.256 8.312 -7.548 389 HG3 GLU 64 HG1 GLU 64 31.978 6.739 -7.230 390 H GLN 65 HN GLN 65 33.911 8.424 -8.468 391 HA GLN 65 HA GLN 65 35.141 5.847 -8.501 392 HB2 GLN 65 HB2 GLN 65 33.867 6.811 -10.420 393 HB3 GLN 65 HB1 GLN 65 35.149 7.993 -10.665 394 HG2 GLN 65 HG2 GLN 65 36.732 6.136 -11.128 395 HG3 GLN 65 HG1 GLN 65 35.415 4.981 -10.935 396 HE21 GLN 65 HE21 GLN 65 33.738 4.959 -12.499 397 HE22 GLN 65 HE22 GLN 65 33.976 5.611 -14.079 398 H LEU 66 HN LEU 66 36.463 9.152 -8.979 399 HA LEU 66 HA LEU 66 39.160 8.289 -9.279 400 HB2 LEU 66 HB2 LEU 66 39.791 10.681 -9.131 401 HB3 LEU 66 HB1 LEU 66 38.512 10.373 -10.280 402 HG LEU 66 HG LEU 66 36.904 11.206 -8.376 403 HD11 LEU 66 HD11 LEU 66 38.491 11.300 -6.529 404 HD12 LEU 66 HD12 LEU 66 37.828 12.896 -6.866 405 HD13 LEU 66 HD13 LEU 66 39.465 12.493 -7.395 406 HD21 LEU 66 HD21 LEU 66 37.227 12.390 -10.488 407 HD22 LEU 66 HD22 LEU 66 38.678 13.171 -9.854 408 HD23 LEU 66 HD23 LEU 66 37.100 13.528 -9.146 409 H ARG 67 HN ARG 67 37.198 9.022 -6.508 410 HA ARG 67 HA ARG 67 39.319 9.057 -4.569 411 HB2 ARG 67 HB2 ARG 67 36.303 8.749 -4.357 412 HB3 ARG 67 HB1 ARG 67 37.344 8.639 -2.942 413 HG2 ARG 67 HG2 ARG 67 37.096 11.056 -4.761 414 HG3 ARG 67 HG1 ARG 67 36.334 10.872 -3.178 415 HD2 ARG 67 HD2 ARG 67 38.638 10.622 -2.191 416 HD3 ARG 67 HD1 ARG 67 39.305 11.030 -3.777 417 HE ARG 67 HE ARG 67 37.432 12.988 -2.842 418 HH11 ARG 67 HH11 ARG 67 40.795 12.016 -2.558 419 HH12 ARG 67 HH12 ARG 67 41.315 13.574 -2.012 420 HH21 ARG 67 HH21 ARG 67 38.123 15.007 -2.131 421 HH22 ARG 67 HH22 ARG 67 39.795 15.276 -1.768 422 H GLN 68 HN GLN 68 36.991 6.612 -5.722 423 HA GLN 68 HA GLN 68 37.497 4.511 -4.022 424 HB2 GLN 68 HB2 GLN 68 35.731 4.793 -5.930 425 HB3 GLN 68 HB1 GLN 68 36.956 4.120 -6.988 426 HG2 GLN 68 HG2 GLN 68 35.542 2.319 -6.411 427 HG3 GLN 68 HG1 GLN 68 36.999 2.095 -5.438 428 HE21 GLN 68 HE21 GLN 68 34.190 1.210 -5.049 429 HE22 GLN 68 HE22 GLN 68 33.732 1.783 -3.492 430 H VAL 69 HN VAL 69 38.885 4.914 -7.279 431 HA VAL 69 HA VAL 69 40.680 4.142 -8.361 432 HB VAL 69 HB VAL 69 41.996 4.081 -5.614 433 HG11 VAL 69 HG11 VAL 69 44.161 4.153 -6.837 434 HG12 VAL 69 HG12 VAL 69 43.297 3.966 -8.364 435 HG13 VAL 69 HG13 VAL 69 43.265 2.669 -7.168 436 HG21 VAL 69 HG21 VAL 69 41.204 6.334 -6.233 437 HG22 VAL 69 HG22 VAL 69 42.066 6.232 -7.771 438 HG23 VAL 69 HG23 VAL 69 42.968 6.268 -6.254 439 H HIS 70 HN HIS 70 41.075 2.249 -5.371 440 HA HIS 70 HA HIS 70 40.718 0.128 -4.772 441 HB2 HIS 70 HB2 HIS 70 38.600 0.129 -6.057 442 HB3 HIS 70 HB1 HIS 70 39.472 -0.337 -7.514 443 HD1 HIS 70 HD1 HIS 70 40.251 -2.817 -7.686 444 HD2 HIS 70 HD2 HIS 70 38.100 -1.961 -4.233 445 HE1 HIS 70 HE1 HIS 70 39.651 -5.036 -6.691 446 HE2 HIS 70 HE2 HIS 70 38.536 -4.493 -4.509 447 H THR 71 HN THR 71 41.820 0.153 -8.210 448 HA THR 71 HA THR 71 44.179 -1.448 -7.404 449 HB THR 71 HB THR 71 42.601 -1.840 -9.985 450 HG1 THR 71 HG1 THR 71 42.292 -4.004 -8.851 451 HG21 THR 71 HG21 THR 71 44.938 -3.434 -8.848 452 HG22 THR 71 HG22 THR 71 45.009 -2.365 -10.254 453 HG23 THR 71 HG23 THR 71 44.028 -3.831 -10.308 454 H ALA 72 HN ALA 72 42.776 0.638 -9.939 455 HA ALA 72 HA ALA 72 43.585 2.016 -11.510 456 HB1 ALA 72 HB1 ALA 72 44.494 3.341 -9.660 457 HB2 ALA 72 HB2 ALA 72 45.553 3.419 -11.067 458 HB3 ALA 72 HB3 ALA 72 45.986 2.398 -9.693 459 H ASN 73 HN ASN 73 46.767 0.725 -10.527 460 HA ASN 73 HA ASN 73 47.023 -0.894 -12.936 461 HB2 ASN 73 HB2 ASN 73 49.048 0.309 -13.736 462 HB3 ASN 73 HB1 ASN 73 47.635 1.356 -13.765 463 HD21 ASN 73 HD21 ASN 73 50.741 0.775 -12.325 464 HD22 ASN 73 HD22 ASN 73 50.853 2.252 -11.444 465 H LEU 74 HN LEU 74 47.324 -0.827 -9.761 466 HA LEU 74 HA LEU 74 49.613 -2.612 -9.621 467 HB2 LEU 74 HB2 LEU 74 50.768 -1.268 -7.826 468 HB3 LEU 74 HB1 LEU 74 50.820 -0.577 -9.430 469 HG LEU 74 HG LEU 74 48.756 0.863 -8.568 470 HD11 LEU 74 HD11 LEU 74 50.114 0.219 -5.939 471 HD12 LEU 74 HD12 LEU 74 48.467 -0.224 -6.404 472 HD13 LEU 74 HD13 LEU 74 48.897 1.472 -6.205 473 HD21 LEU 74 HD21 LEU 74 51.605 1.466 -7.732 474 HD22 LEU 74 HD22 LEU 74 50.293 2.641 -7.881 475 HD23 LEU 74 HD23 LEU 74 50.884 1.798 -9.311 476 HA PRO 75 HA PRO 75 47.062 -4.456 -6.421 477 HB2 PRO 75 HB2 PRO 75 49.500 -5.781 -5.344 478 HB3 PRO 75 HB1 PRO 75 48.080 -6.507 -6.103 479 HG2 PRO 75 HG2 PRO 75 50.468 -6.436 -7.355 480 HG3 PRO 75 HG1 PRO 75 48.942 -6.272 -8.252 481 HD2 PRO 75 HD2 PRO 75 50.848 -4.102 -7.351 482 HD3 PRO 75 HD1 PRO 75 50.066 -4.326 -8.935 483 H HIS 76 HN HIS 76 46.377 -3.763 -4.484 484 HA HIS 76 HA HIS 76 48.007 -3.222 -2.207 485 HB2 HIS 76 HB2 HIS 76 47.567 -0.809 -1.929 486 HB3 HIS 76 HB1 HIS 76 48.463 -1.099 -3.415 487 HD1 HIS 76 HD1 HIS 76 47.067 -0.891 -5.679 488 HD2 HIS 76 HD2 HIS 76 45.151 0.521 -2.270 489 HE1 HIS 76 HE1 HIS 76 45.196 0.553 -6.505 490 HE2 HIS 76 HE2 HIS 76 44.209 1.567 -4.438 491 H VAL 77 HN VAL 77 45.504 -4.627 -3.213 492 HA VAL 77 HA VAL 77 43.679 -3.881 -1.016 493 HB VAL 77 HB VAL 77 43.007 -2.822 -3.324 494 HG11 VAL 77 HG11 VAL 77 41.688 -4.209 -4.856 495 HG12 VAL 77 HG12 VAL 77 42.025 -5.640 -3.882 496 HG13 VAL 77 HG13 VAL 77 43.341 -4.827 -4.731 497 HG21 VAL 77 HG21 VAL 77 40.597 -3.072 -2.863 498 HG22 VAL 77 HG22 VAL 77 41.510 -2.812 -1.374 499 HG23 VAL 77 HG23 VAL 77 40.939 -4.430 -1.787 500 H PHE 78 HN PHE 78 42.104 -5.667 -0.525 501 HA PHE 78 HA PHE 78 43.455 -8.240 -0.720 502 HB2 PHE 78 HB2 PHE 78 41.014 -7.381 0.886 503 HB3 PHE 78 HB1 PHE 78 41.662 -9.016 0.901 504 HD1 PHE 78 HD2 PHE 78 42.385 -5.491 1.822 505 HD2 PHE 78 HD1 PHE 78 43.632 -9.564 2.175 506 HE1 PHE 78 HE2 PHE 78 43.969 -4.857 3.592 507 HE2 PHE 78 HE1 PHE 78 45.210 -8.922 3.943 508 HZ PHE 78 HZ PHE 78 45.383 -6.572 4.654 509 H ASN 79 HN ASN 79 39.881 -7.917 -0.809 510 HA ASN 79 HA ASN 79 39.579 -8.857 -3.479 511 HB2 ASN 79 HB2 ASN 79 38.692 -11.189 -2.873 512 HB3 ASN 79 HB1 ASN 79 40.435 -10.970 -2.809 513 HD21 ASN 79 HD21 ASN 79 37.537 -11.467 -0.925 514 HD22 ASN 79 HD22 ASN 79 38.333 -11.906 0.544 515 H GLU 80 HN GLU 80 37.883 -7.609 -3.877 516 HA GLU 80 HA GLU 80 35.426 -7.793 -2.240 517 HB2 GLU 80 HB2 GLU 80 36.369 -5.756 -4.301 518 HB3 GLU 80 HB1 GLU 80 34.703 -5.813 -3.749 519 HG2 GLU 80 HG2 GLU 80 35.970 -4.059 -2.609 520 HG3 GLU 80 HG1 GLU 80 35.379 -5.276 -1.480 521 H GLY 81 HN GLY 81 33.840 -9.093 -2.987 522 HA2 GLY 81 HA2 GLY 81 33.900 -10.191 -5.703 523 HA3 GLY 81 HA1 GLY 81 32.801 -10.635 -4.405 524 H ARG 82 HN ARG 82 31.778 -8.183 -3.692 525 HA ARG 82 HA ARG 82 30.785 -6.753 -6.036 526 HB2 ARG 82 HB2 ARG 82 29.218 -8.786 -5.505 527 HB3 ARG 82 HB1 ARG 82 28.736 -7.888 -4.080 528 HG2 ARG 82 HG2 ARG 82 28.413 -6.833 -6.919 529 HG3 ARG 82 HG1 ARG 82 27.177 -7.766 -6.085 530 HD2 ARG 82 HD2 ARG 82 26.472 -5.539 -5.805 531 HD3 ARG 82 HD1 ARG 82 27.269 -5.907 -4.277 532 HE ARG 82 HE ARG 82 29.189 -4.756 -5.933 533 HH11 ARG 82 HH11 ARG 82 26.154 -3.707 -4.505 534 HH12 ARG 82 HH12 ARG 82 26.650 -2.050 -4.399 535 HH21 ARG 82 HH21 ARG 82 29.831 -2.600 -5.738 536 HH22 ARG 82 HH22 ARG 82 28.733 -1.428 -5.078 537 H GLY 83 HN GLY 83 29.958 -7.161 -2.570 538 HA2 GLY 83 HA2 GLY 83 30.929 -4.528 -1.854 539 HA3 GLY 83 HA1 GLY 83 29.171 -4.657 -1.900 Start of MODEL 13 1 H1 SER 11 HT1 SER 11 5.635 -0.928 -5.948 2 H2 SER 11 HT2 SER 11 6.778 -1.463 -7.074 3 H3 SER 11 HT3 SER 11 5.787 -0.150 -7.440 4 HA SER 11 HA SER 11 6.797 1.200 -5.798 5 HB2 SER 11 HB2 SER 11 8.474 -1.263 -5.148 6 HB3 SER 11 HB1 SER 11 8.670 0.331 -4.412 7 HG SER 11 HG SER 11 7.282 -0.400 -3.018 8 H ALA 12 HN ALA 12 9.112 2.096 -5.942 9 HA ALA 12 HA ALA 12 10.764 3.023 -7.170 10 HB1 ALA 12 HB1 ALA 12 11.757 0.761 -7.135 11 HB2 ALA 12 HB2 ALA 12 12.140 1.609 -8.634 12 HB3 ALA 12 HB3 ALA 12 10.895 0.358 -8.622 13 H GLU 13 HN GLU 13 7.910 3.042 -8.103 14 HA GLU 13 HA GLU 13 8.185 3.642 -10.984 15 HB2 GLU 13 HB2 GLU 13 5.706 3.096 -11.087 16 HB3 GLU 13 HB1 GLU 13 6.747 1.734 -10.694 17 HG2 GLU 13 HG2 GLU 13 6.167 2.001 -8.296 18 HG3 GLU 13 HG1 GLU 13 5.077 3.317 -8.716 19 H CYS 14 HN CYS 14 8.115 5.723 -11.410 20 HA CYS 14 HA CYS 14 6.244 7.610 -10.323 21 HB2 CYS 14 HB2 CYS 14 8.001 7.473 -8.483 22 HB3 CYS 14 HB1 CYS 14 9.204 8.014 -9.646 23 HG CYS 14 HG CYS 14 8.803 10.276 -8.277 24 H TRP 15 HN TRP 15 7.586 9.970 -11.098 25 HA TRP 15 HA TRP 15 7.595 9.877 -13.941 26 HB2 TRP 15 HB2 TRP 15 8.502 12.060 -12.016 27 HB3 TRP 15 HB1 TRP 15 8.435 12.259 -13.764 28 HD1 TRP 15 HD1 TRP 15 6.127 11.995 -10.698 29 HE1 TRP 15 HE1 TRP 15 3.790 12.820 -11.377 30 HE3 TRP 15 HE3 TRP 15 6.819 12.429 -15.770 31 HZ2 TRP 15 HZ2 TRP 15 2.403 13.527 -13.719 32 HZ3 TRP 15 HZ3 TRP 15 4.922 13.183 -17.155 33 HH2 TRP 15 HH2 TRP 15 2.759 13.719 -16.148 34 H ALA 16 HN ALA 16 9.081 8.270 -14.430 35 HA ALA 16 HA ALA 16 11.887 9.196 -14.645 36 HB1 ALA 16 HB1 ALA 16 10.977 6.345 -14.060 37 HB2 ALA 16 HB2 ALA 16 11.799 7.423 -12.931 38 HB3 ALA 16 HB3 ALA 16 12.642 6.850 -14.371 39 H ALA 17 HN ALA 17 9.560 9.460 -16.331 40 HA ALA 17 HA ALA 17 9.774 7.563 -18.529 41 HB1 ALA 17 HB1 ALA 17 7.939 9.960 -18.116 42 HB2 ALA 17 HB2 ALA 17 7.560 8.287 -17.702 43 HB3 ALA 17 HB3 ALA 17 7.791 8.744 -19.387 44 H LEU 18 HN LEU 18 9.364 8.902 -20.756 45 HA LEU 18 HA LEU 18 11.860 10.345 -21.253 46 HB2 LEU 18 HB2 LEU 18 9.711 9.234 -23.116 47 HB3 LEU 18 HB1 LEU 18 11.070 10.188 -23.685 48 HG LEU 18 HG LEU 18 12.626 8.417 -22.762 49 HD11 LEU 18 HD11 LEU 18 11.168 7.347 -21.120 50 HD12 LEU 18 HD12 LEU 18 11.776 6.174 -22.285 51 HD13 LEU 18 HD13 LEU 18 10.114 6.757 -22.410 52 HD21 LEU 18 HD21 LEU 18 10.685 7.502 -24.909 53 HD22 LEU 18 HD22 LEU 18 12.313 6.869 -24.639 54 HD23 LEU 18 HD23 LEU 18 12.094 8.541 -25.148 55 H LEU 19 HN LEU 19 10.004 11.758 -19.649 56 HA LEU 19 HA LEU 19 8.702 13.809 -21.221 57 HB2 LEU 19 HB2 LEU 19 7.808 13.062 -19.000 58 HB3 LEU 19 HB1 LEU 19 9.255 13.677 -18.220 59 HG LEU 19 HG LEU 19 8.631 15.993 -19.027 60 HD11 LEU 19 HD11 LEU 19 6.328 16.412 -19.792 61 HD12 LEU 19 HD12 LEU 19 6.028 14.673 -19.863 62 HD13 LEU 19 HD13 LEU 19 7.227 15.410 -20.931 63 HD21 LEU 19 HD21 LEU 19 6.593 14.623 -17.247 64 HD22 LEU 19 HD22 LEU 19 6.897 16.360 -17.333 65 HD23 LEU 19 HD23 LEU 19 8.152 15.278 -16.737 66 H HIS 20 HN HIS 20 10.212 14.919 -22.418 67 HA HIS 20 HA HIS 20 12.739 15.817 -21.243 68 HB2 HIS 20 HB2 HIS 20 11.653 16.119 -24.081 69 HB3 HIS 20 HB1 HIS 20 13.261 16.624 -23.556 70 HD1 HIS 20 HD1 HIS 20 14.934 14.699 -22.891 71 HD2 HIS 20 HD2 HIS 20 11.389 13.411 -24.635 72 HE1 HIS 20 HE1 HIS 20 15.335 12.307 -23.535 73 HE2 HIS 20 HE2 HIS 20 13.241 11.611 -24.753 74 H ASP 21 HN ASP 21 11.905 17.254 -19.701 75 HA ASP 21 HA ASP 21 10.466 19.640 -20.290 76 HB2 ASP 21 HB2 ASP 21 10.723 18.733 -17.966 77 HB3 ASP 21 HB1 ASP 21 12.450 19.046 -18.027 78 HA PRO 22 HA PRO 22 13.232 22.253 -22.716 79 HB2 PRO 22 HB2 PRO 22 13.067 24.472 -20.800 80 HB3 PRO 22 HB1 PRO 22 12.307 24.322 -22.385 81 HG2 PRO 22 HG2 PRO 22 11.213 23.698 -19.688 82 HG3 PRO 22 HG1 PRO 22 10.350 24.156 -21.171 83 HD2 PRO 22 HD2 PRO 22 10.210 21.651 -20.273 84 HD3 PRO 22 HD1 PRO 22 10.382 21.950 -22.021 85 H MET 23 HN MET 23 13.848 22.604 -19.169 86 HA MET 23 HA MET 23 16.739 22.225 -19.674 87 HB2 MET 23 HB2 MET 23 15.568 24.552 -18.082 88 HB3 MET 23 HB1 MET 23 17.271 24.109 -18.093 89 HG2 MET 23 HG2 MET 23 17.388 24.562 -20.496 90 HG3 MET 23 HG1 MET 23 15.675 24.979 -20.507 91 HE1 MET 23 HE1 MET 23 17.333 28.468 -21.088 92 HE2 MET 23 HE2 MET 23 16.137 27.309 -21.664 93 HE3 MET 23 HE3 MET 23 17.856 26.915 -21.737 94 H THR 24 HN THR 24 14.645 23.031 -16.860 95 HA THR 24 HA THR 24 14.366 22.165 -14.791 96 HB THR 24 HB THR 24 15.767 19.624 -15.756 97 HG1 THR 24 HG1 THR 24 13.673 20.361 -16.758 98 HG21 THR 24 HG21 THR 24 14.640 18.507 -13.867 99 HG22 THR 24 HG22 THR 24 13.994 20.054 -13.325 100 HG23 THR 24 HG23 THR 24 15.737 19.759 -13.278 101 H LEU 25 HN LEU 25 17.540 21.193 -16.016 102 HA LEU 25 HA LEU 25 19.058 21.170 -13.691 103 HB2 LEU 25 HB2 LEU 25 19.507 20.194 -16.003 104 HB3 LEU 25 HB1 LEU 25 20.000 21.791 -16.522 105 HG LEU 25 HG LEU 25 21.417 20.251 -14.294 106 HD11 LEU 25 HD11 LEU 25 21.540 18.939 -16.354 107 HD12 LEU 25 HD12 LEU 25 23.108 19.625 -15.950 108 HD13 LEU 25 HD13 LEU 25 22.147 20.343 -17.244 109 HD21 LEU 25 HD21 LEU 25 22.369 22.632 -15.936 110 HD22 LEU 25 HD22 LEU 25 23.305 21.765 -14.716 111 HD23 LEU 25 HD23 LEU 25 21.874 22.669 -14.241 112 H ASP 26 HN ASP 26 19.509 22.809 -12.380 113 HA ASP 26 HA ASP 26 20.149 25.511 -13.424 114 HB2 ASP 26 HB2 ASP 26 18.280 25.406 -11.734 115 HB3 ASP 26 HB1 ASP 26 19.386 24.674 -10.581 116 H MET 27 HN MET 27 22.277 25.978 -13.431 117 HA MET 27 HA MET 27 24.285 24.138 -12.872 118 HB2 MET 27 HB2 MET 27 24.338 27.128 -13.355 119 HB3 MET 27 HB1 MET 27 25.831 26.272 -12.981 120 HG2 MET 27 HG2 MET 27 25.524 26.543 -15.393 121 HG3 MET 27 HG1 MET 27 25.550 24.847 -14.930 122 HE1 MET 27 HE1 MET 27 24.547 24.033 -17.180 123 HE2 MET 27 HE2 MET 27 24.558 25.692 -17.785 124 HE3 MET 27 HE3 MET 27 23.100 24.709 -17.926 125 H ASP 28 HN ASP 28 23.193 26.872 -10.883 126 HA ASP 28 HA ASP 28 25.221 26.637 -8.867 127 HB2 ASP 28 HB2 ASP 28 24.081 28.784 -9.337 128 HB3 ASP 28 HB1 ASP 28 22.543 28.107 -8.824 129 H ALA 29 HN ALA 29 21.954 25.351 -9.257 130 HA ALA 29 HA ALA 29 21.615 24.369 -6.580 131 HB1 ALA 29 HB1 ALA 29 19.693 24.799 -8.065 132 HB2 ALA 29 HB2 ALA 29 19.685 23.139 -7.473 133 HB3 ALA 29 HB3 ALA 29 20.206 23.487 -9.127 134 H VAL 30 HN VAL 30 22.729 22.905 -9.626 135 HA VAL 30 HA VAL 30 23.059 20.249 -8.643 136 HB VAL 30 HB VAL 30 24.416 21.579 -11.045 137 HG11 VAL 30 HG11 VAL 30 24.067 18.618 -10.415 138 HG12 VAL 30 HG12 VAL 30 25.586 19.517 -10.357 139 HG13 VAL 30 HG13 VAL 30 24.759 19.284 -11.898 140 HG21 VAL 30 HG21 VAL 30 21.953 21.654 -11.236 141 HG22 VAL 30 HG22 VAL 30 21.865 19.912 -10.968 142 HG23 VAL 30 HG23 VAL 30 22.648 20.546 -12.418 143 H LEU 31 HN LEU 31 25.190 23.038 -8.984 144 HA LEU 31 HA LEU 31 27.645 21.878 -8.188 145 HB2 LEU 31 HB2 LEU 31 27.440 24.041 -9.405 146 HB3 LEU 31 HB1 LEU 31 26.691 24.763 -7.993 147 HG LEU 31 HG LEU 31 28.831 24.484 -6.719 148 HD11 LEU 31 HD11 LEU 31 29.967 23.489 -9.343 149 HD12 LEU 31 HD12 LEU 31 29.732 22.541 -7.870 150 HD13 LEU 31 HD13 LEU 31 30.889 23.870 -7.884 151 HD21 LEU 31 HD21 LEU 31 30.102 26.245 -7.879 152 HD22 LEU 31 HD22 LEU 31 28.379 26.608 -7.863 153 HD23 LEU 31 HD23 LEU 31 29.137 26.000 -9.338 154 H SER 32 HN SER 32 25.085 23.594 -6.407 155 HA SER 32 HA SER 32 26.384 23.686 -3.884 156 HB2 SER 32 HB2 SER 32 24.469 25.164 -4.486 157 HB3 SER 32 HB1 SER 32 23.389 23.772 -4.453 158 HG SER 32 HG SER 32 23.230 24.102 -2.391 159 H ASP 33 HN ASP 33 23.998 21.465 -5.290 160 HA ASP 33 HA ASP 33 23.552 19.827 -3.025 161 HB2 ASP 33 HB2 ASP 33 22.051 19.912 -5.045 162 HB3 ASP 33 HB1 ASP 33 23.273 19.049 -5.975 163 H PHE 34 HN PHE 34 25.825 19.621 -5.733 164 HA PHE 34 HA PHE 34 26.886 17.056 -5.224 165 HB2 PHE 34 HB2 PHE 34 27.171 18.202 -7.394 166 HB3 PHE 34 HB1 PHE 34 28.173 19.438 -6.639 167 HD1 PHE 34 HD2 PHE 34 28.013 15.825 -7.515 168 HD2 PHE 34 HD1 PHE 34 30.513 19.045 -6.255 169 HE1 PHE 34 HE2 PHE 34 30.005 14.443 -7.864 170 HE2 PHE 34 HE1 PHE 34 32.493 17.647 -6.614 171 HZ PHE 34 HZ PHE 34 32.236 15.355 -7.419 172 H VAL 35 HN VAL 35 28.154 20.287 -4.361 173 HA VAL 35 HA VAL 35 30.375 19.411 -2.826 174 HB VAL 35 HB VAL 35 28.829 22.052 -2.809 175 HG11 VAL 35 HG11 VAL 35 30.771 23.074 -1.680 176 HG12 VAL 35 HG12 VAL 35 31.526 21.487 -1.525 177 HG13 VAL 35 HG13 VAL 35 30.027 21.835 -0.665 178 HG21 VAL 35 HG21 VAL 35 29.928 21.519 -4.958 179 HG22 VAL 35 HG22 VAL 35 31.471 21.300 -4.128 180 HG23 VAL 35 HG23 VAL 35 30.712 22.895 -4.175 181 H ARG 36 HN ARG 36 27.012 19.884 -2.071 182 HA ARG 36 HA ARG 36 27.165 19.836 0.794 183 HB2 ARG 36 HB2 ARG 36 25.358 20.945 -0.472 184 HB3 ARG 36 HB1 ARG 36 24.845 19.401 -1.138 185 HG2 ARG 36 HG2 ARG 36 24.132 18.662 1.095 186 HG3 ARG 36 HG1 ARG 36 24.706 20.180 1.797 187 HD2 ARG 36 HD2 ARG 36 23.084 21.430 0.398 188 HD3 ARG 36 HD1 ARG 36 22.500 19.908 -0.283 189 HE ARG 36 HE ARG 36 22.090 19.471 2.309 190 HH11 ARG 36 HH11 ARG 36 21.337 22.368 0.436 191 HH12 ARG 36 HH12 ARG 36 19.939 22.747 1.385 192 HH21 ARG 36 HH21 ARG 36 20.247 19.991 3.517 193 HH22 ARG 36 HH22 ARG 36 19.311 21.395 3.116 194 H SER 37 HN SER 37 26.900 17.389 -1.721 195 HA SER 37 HA SER 37 26.121 15.264 0.152 196 HB2 SER 37 HB2 SER 37 25.985 13.846 -1.932 197 HB3 SER 37 HB1 SER 37 24.942 15.267 -1.974 198 HG SER 37 HG SER 37 25.957 15.873 -3.690 199 H THR 38 HN THR 38 28.712 15.738 -2.295 200 HA THR 38 HA THR 38 30.280 13.507 -1.365 201 HB THR 38 HB THR 38 31.927 14.211 -3.090 202 HG1 THR 38 HG1 THR 38 30.293 16.227 -4.088 203 HG21 THR 38 HG21 THR 38 30.499 13.917 -5.081 204 HG22 THR 38 HG22 THR 38 29.061 14.257 -4.117 205 HG23 THR 38 HG23 THR 38 30.017 12.806 -3.796 206 H GLY 39 HN GLY 39 30.224 16.920 -0.675 207 HA2 GLY 39 HA2 GLY 39 31.379 18.164 0.885 208 HA3 GLY 39 HA1 GLY 39 32.282 16.727 1.350 209 H ALA 40 HN ALA 40 32.163 17.624 -1.993 210 HA ALA 40 HA ALA 40 34.990 17.906 -2.268 211 HB1 ALA 40 HB1 ALA 40 33.557 16.964 -4.053 212 HB2 ALA 40 HB2 ALA 40 34.505 18.330 -4.644 213 HB3 ALA 40 HB3 ALA 40 32.791 18.540 -4.274 214 H GLU 41 HN GLU 41 35.946 19.842 -3.505 215 HA GLU 41 HA GLU 41 35.245 22.337 -2.117 216 HB2 GLU 41 HB2 GLU 41 37.381 23.128 -2.746 217 HB3 GLU 41 HB1 GLU 41 37.673 21.401 -2.590 218 HG2 GLU 41 HG2 GLU 41 37.205 21.303 -5.132 219 HG3 GLU 41 HG1 GLU 41 37.387 23.054 -5.099 220 HA PRO 42 HA PRO 42 32.636 24.087 -5.289 221 HB2 PRO 42 HB2 PRO 42 33.613 26.677 -5.641 222 HB3 PRO 42 HB1 PRO 42 32.639 26.164 -4.257 223 HG2 PRO 42 HG2 PRO 42 35.651 26.338 -4.484 224 HG3 PRO 42 HG1 PRO 42 34.602 26.954 -3.196 225 HD2 PRO 42 HD2 PRO 42 35.886 24.667 -2.830 226 HD3 PRO 42 HD1 PRO 42 34.181 24.785 -2.325 227 H GLY 43 HN GLY 43 36.093 24.690 -5.969 228 HA2 GLY 43 HA2 GLY 43 35.829 25.264 -8.751 229 HA3 GLY 43 HA1 GLY 43 37.313 24.869 -7.896 230 H LEU 44 HN LEU 44 36.982 22.373 -7.022 231 HA LEU 44 HA LEU 44 37.436 20.634 -9.174 232 HB2 LEU 44 HB2 LEU 44 38.174 20.149 -6.858 233 HB3 LEU 44 HB1 LEU 44 36.507 19.988 -6.348 234 HG LEU 44 HG LEU 44 36.303 17.962 -7.860 235 HD11 LEU 44 HD11 LEU 44 38.108 18.433 -9.420 236 HD12 LEU 44 HD12 LEU 44 38.326 16.859 -8.666 237 HD13 LEU 44 HD13 LEU 44 39.305 18.230 -8.137 238 HD21 LEU 44 HD21 LEU 44 37.465 16.429 -6.326 239 HD22 LEU 44 HD22 LEU 44 36.639 17.713 -5.446 240 HD23 LEU 44 HD23 LEU 44 38.392 17.777 -5.657 241 H ALA 45 HN ALA 45 34.554 21.200 -7.214 242 HA ALA 45 HA ALA 45 32.822 19.254 -8.180 243 HB1 ALA 45 HB1 ALA 45 32.382 20.603 -6.182 244 HB2 ALA 45 HB2 ALA 45 31.022 20.710 -7.303 245 HB3 ALA 45 HB3 ALA 45 32.171 22.045 -7.174 246 H ARG 46 HN ARG 46 33.012 22.682 -9.170 247 HA ARG 46 HA ARG 46 31.260 22.648 -11.356 248 HB2 ARG 46 HB2 ARG 46 31.779 24.783 -10.504 249 HB3 ARG 46 HB1 ARG 46 33.505 24.483 -10.461 250 HG2 ARG 46 HG2 ARG 46 32.156 24.665 -13.152 251 HG3 ARG 46 HG1 ARG 46 32.402 26.154 -12.239 252 HD2 ARG 46 HD2 ARG 46 34.818 25.741 -12.157 253 HD3 ARG 46 HD1 ARG 46 34.607 24.186 -12.973 254 HE ARG 46 HE ARG 46 33.522 26.084 -14.661 255 HH11 ARG 46 HH11 ARG 46 36.710 25.538 -13.282 256 HH12 ARG 46 HH12 ARG 46 37.545 26.161 -14.664 257 HH21 ARG 46 HH21 ARG 46 34.616 26.832 -16.487 258 HH22 ARG 46 HH22 ARG 46 36.348 26.902 -16.495 259 H ASP 47 HN ASP 47 34.685 21.883 -11.164 260 HA ASP 47 HA ASP 47 35.335 21.775 -13.919 261 HB2 ASP 47 HB2 ASP 47 37.060 21.849 -12.127 262 HB3 ASP 47 HB1 ASP 47 36.562 20.262 -11.563 263 H LEU 48 HN LEU 48 34.139 19.293 -11.649 264 HA LEU 48 HA LEU 48 34.267 17.100 -13.513 265 HB2 LEU 48 HB2 LEU 48 32.456 17.160 -11.061 266 HB3 LEU 48 HB1 LEU 48 33.125 15.747 -11.886 267 HG LEU 48 HG LEU 48 34.534 17.697 -10.037 268 HD11 LEU 48 HD11 LEU 48 34.201 14.698 -9.858 269 HD12 LEU 48 HD12 LEU 48 33.313 15.917 -8.937 270 HD13 LEU 48 HD13 LEU 48 35.048 15.734 -8.700 271 HD21 LEU 48 HD21 LEU 48 36.068 17.364 -11.890 272 HD22 LEU 48 HD22 LEU 48 35.901 15.612 -11.754 273 HD23 LEU 48 HD23 LEU 48 36.659 16.532 -10.453 274 H LEU 49 HN LEU 49 31.811 19.361 -12.425 275 HA LEU 49 HA LEU 49 29.556 18.219 -13.676 276 HB2 LEU 49 HB2 LEU 49 30.142 21.048 -12.742 277 HB3 LEU 49 HB1 LEU 49 28.576 20.564 -13.381 278 HG LEU 49 HG LEU 49 29.880 19.309 -10.930 279 HD11 LEU 49 HD11 LEU 49 28.263 20.527 -9.579 280 HD12 LEU 49 HD12 LEU 49 27.650 21.355 -11.014 281 HD13 LEU 49 HD13 LEU 49 29.307 21.632 -10.471 282 HD21 LEU 49 HD21 LEU 49 28.374 17.777 -12.086 283 HD22 LEU 49 HD22 LEU 49 27.081 18.976 -12.054 284 HD23 LEU 49 HD23 LEU 49 27.683 18.281 -10.544 285 H GLU 50 HN GLU 50 31.784 20.809 -14.831 286 HA GLU 50 HA GLU 50 30.477 21.149 -17.336 287 HB2 GLU 50 HB2 GLU 50 33.323 21.808 -16.491 288 HB3 GLU 50 HB1 GLU 50 32.648 22.250 -18.059 289 HG2 GLU 50 HG2 GLU 50 30.823 23.484 -16.804 290 HG3 GLU 50 HG1 GLU 50 31.742 23.208 -15.326 291 H GLY 51 HN GLY 51 32.794 18.815 -16.166 292 HA2 GLY 51 HA2 GLY 51 33.327 17.642 -18.790 293 HA3 GLY 51 HA1 GLY 51 33.892 17.063 -17.229 294 H LYS 52 HN LYS 52 30.617 17.581 -16.907 295 HA LYS 52 HA LYS 52 29.794 14.887 -17.823 296 HB2 LYS 52 HB2 LYS 52 29.256 16.092 -15.051 297 HB3 LYS 52 HB1 LYS 52 28.465 14.642 -15.676 298 HG2 LYS 52 HG2 LYS 52 31.442 14.957 -15.198 299 HG3 LYS 52 HG1 LYS 52 30.320 14.079 -14.155 300 HD2 LYS 52 HD2 LYS 52 29.948 12.393 -15.838 301 HD3 LYS 52 HD1 LYS 52 30.765 13.350 -17.079 302 HE2 LYS 52 HE2 LYS 52 32.115 12.153 -14.638 303 HE3 LYS 52 HE1 LYS 52 32.158 11.482 -16.258 304 HZ1 LYS 52 HZ1 LYS 52 33.194 14.157 -15.514 305 HZ2 LYS 52 HZ2 LYS 52 33.275 13.448 -17.048 306 HZ3 LYS 52 HZ3 LYS 52 34.143 12.774 -15.756 307 H ASN 53 HN ASN 53 29.291 17.937 -18.507 308 HA ASN 53 HA ASN 53 27.645 19.182 -19.475 309 HB2 ASN 53 HB2 ASN 53 27.267 16.996 -20.704 310 HB3 ASN 53 HB1 ASN 53 26.045 16.570 -19.522 311 HD21 ASN 53 HD21 ASN 53 24.019 17.500 -19.670 312 HD22 ASN 53 HD22 ASN 53 23.512 18.463 -21.004 313 H TRP 54 HN TRP 54 27.809 18.735 -16.615 314 HA TRP 54 HA TRP 54 27.067 19.488 -14.667 315 HB2 TRP 54 HB2 TRP 54 25.054 20.910 -16.447 316 HB3 TRP 54 HB1 TRP 54 25.067 21.119 -14.700 317 HD1 TRP 54 HD1 TRP 54 27.230 21.891 -17.802 318 HE1 TRP 54 HE1 TRP 54 28.866 23.774 -17.186 319 HE3 TRP 54 HE3 TRP 54 26.225 22.212 -12.821 320 HZ2 TRP 54 HZ2 TRP 54 29.655 25.192 -14.875 321 HZ3 TRP 54 HZ3 TRP 54 27.452 23.849 -11.456 322 HH2 TRP 54 HH2 TRP 54 29.142 25.319 -12.462 323 H ASP 55 HN ASP 55 26.160 16.982 -15.894 324 HA ASP 55 HA ASP 55 23.633 16.359 -14.646 325 HB2 ASP 55 HB2 ASP 55 24.477 15.154 -16.723 326 HB3 ASP 55 HB1 ASP 55 25.715 14.395 -15.728 327 H LEU 56 HN LEU 56 23.507 16.245 -12.550 328 HA LEU 56 HA LEU 56 25.509 16.244 -10.640 329 HB2 LEU 56 HB2 LEU 56 23.189 16.928 -10.202 330 HB3 LEU 56 HB1 LEU 56 22.636 15.276 -10.433 331 HG LEU 56 HG LEU 56 23.950 14.599 -8.384 332 HD11 LEU 56 HD11 LEU 56 24.742 16.346 -6.831 333 HD12 LEU 56 HD12 LEU 56 24.382 17.590 -8.031 334 HD13 LEU 56 HD13 LEU 56 25.628 16.383 -8.355 335 HD21 LEU 56 HD21 LEU 56 22.336 15.540 -6.785 336 HD22 LEU 56 HD22 LEU 56 21.549 15.019 -8.273 337 HD23 LEU 56 HD23 LEU 56 21.837 16.740 -7.982 338 H THR 57 HN THR 57 23.608 13.494 -11.850 339 HA THR 57 HA THR 57 24.428 11.552 -9.989 340 HB THR 57 HB THR 57 23.428 11.014 -12.830 341 HG1 THR 57 HG1 THR 57 21.538 11.796 -12.247 342 HG21 THR 57 HG21 THR 57 22.325 9.061 -11.798 343 HG22 THR 57 HG22 THR 57 23.012 9.490 -10.230 344 HG23 THR 57 HG23 THR 57 24.072 8.995 -11.551 345 H ALA 58 HN ALA 58 25.657 12.391 -13.192 346 HA ALA 58 HA ALA 58 27.585 10.270 -13.450 347 HB1 ALA 58 HB1 ALA 58 27.313 12.876 -15.003 348 HB2 ALA 58 HB2 ALA 58 26.550 11.343 -15.426 349 HB3 ALA 58 HB3 ALA 58 28.308 11.489 -15.473 350 H ALA 59 HN ALA 59 27.598 13.586 -12.268 351 HA ALA 59 HA ALA 59 30.444 13.889 -12.031 352 HB1 ALA 59 HB1 ALA 59 28.239 15.400 -10.593 353 HB2 ALA 59 HB2 ALA 59 28.952 15.845 -12.144 354 HB3 ALA 59 HB3 ALA 59 29.939 15.877 -10.681 355 H LEU 60 HN LEU 60 27.872 12.773 -9.847 356 HA LEU 60 HA LEU 60 29.336 12.446 -7.452 357 HB2 LEU 60 HB2 LEU 60 26.972 10.840 -8.532 358 HB3 LEU 60 HB1 LEU 60 27.566 10.717 -6.882 359 HG LEU 60 HG LEU 60 26.376 13.238 -8.112 360 HD11 LEU 60 HD11 LEU 60 24.674 11.501 -7.899 361 HD12 LEU 60 HD12 LEU 60 24.388 12.815 -6.764 362 HD13 LEU 60 HD13 LEU 60 25.069 11.291 -6.187 363 HD21 LEU 60 HD21 LEU 60 27.982 13.761 -6.343 364 HD22 LEU 60 HD22 LEU 60 27.146 12.677 -5.228 365 HD23 LEU 60 HD23 LEU 60 26.339 14.132 -5.823 366 H SER 61 HN SER 61 28.698 10.264 -10.171 367 HA SER 61 HA SER 61 30.185 8.011 -9.365 368 HB2 SER 61 HB2 SER 61 29.521 8.989 -12.183 369 HB3 SER 61 HB1 SER 61 30.031 7.345 -11.766 370 HG SER 61 HG SER 61 27.578 8.542 -11.543 371 H ASP 62 HN ASP 62 31.094 10.925 -11.136 372 HA ASP 62 HA ASP 62 33.684 10.136 -12.012 373 HB2 ASP 62 HB2 ASP 62 32.330 12.007 -13.006 374 HB3 ASP 62 HB1 ASP 62 32.587 12.951 -11.543 375 H TYR 63 HN TYR 63 32.501 11.944 -9.202 376 HA TYR 63 HA TYR 63 34.992 12.668 -8.091 377 HB2 TYR 63 HB2 TYR 63 32.864 13.776 -7.472 378 HB3 TYR 63 HB1 TYR 63 32.324 12.312 -6.660 379 HD1 TYR 63 HD1 TYR 63 34.899 15.016 -6.566 380 HD2 TYR 63 HD2 TYR 63 33.048 11.833 -4.392 381 HE1 TYR 63 HE1 TYR 63 36.031 15.751 -4.513 382 HE2 TYR 63 HE2 TYR 63 34.177 12.578 -2.347 383 HH TYR 63 HH TYR 63 36.209 13.871 -1.723 384 H GLU 64 HN GLU 64 32.737 10.010 -7.241 385 HA GLU 64 HA GLU 64 34.326 8.890 -5.185 386 HB2 GLU 64 HB2 GLU 64 32.846 6.946 -5.261 387 HB3 GLU 64 HB1 GLU 64 31.906 8.429 -5.400 388 HG2 GLU 64 HG2 GLU 64 31.785 8.062 -7.873 389 HG3 GLU 64 HG1 GLU 64 32.615 6.522 -7.647 390 H GLN 65 HN GLN 65 34.464 8.610 -8.642 391 HA GLN 65 HA GLN 65 36.205 6.339 -8.782 392 HB2 GLN 65 HB2 GLN 65 34.709 7.168 -10.654 393 HB3 GLN 65 HB1 GLN 65 35.801 8.530 -10.862 394 HG2 GLN 65 HG2 GLN 65 36.283 6.847 -12.527 395 HG3 GLN 65 HG1 GLN 65 37.636 6.941 -11.399 396 HE21 GLN 65 HE21 GLN 65 34.933 5.003 -12.482 397 HE22 GLN 65 HE22 GLN 65 35.430 3.532 -11.733 398 H LEU 66 HN LEU 66 36.747 9.913 -8.845 399 HA LEU 66 HA LEU 66 39.570 9.588 -9.368 400 HB2 LEU 66 HB2 LEU 66 39.766 12.033 -9.225 401 HB3 LEU 66 HB1 LEU 66 38.502 11.513 -10.313 402 HG LEU 66 HG LEU 66 36.854 12.062 -8.371 403 HD11 LEU 66 HD11 LEU 66 39.198 13.683 -7.338 404 HD12 LEU 66 HD12 LEU 66 38.401 12.338 -6.517 405 HD13 LEU 66 HD13 LEU 66 37.518 13.832 -6.809 406 HD21 LEU 66 HD21 LEU 66 36.696 14.416 -9.060 407 HD22 LEU 66 HD22 LEU 66 36.953 13.344 -10.434 408 HD23 LEU 66 HD23 LEU 66 38.295 14.309 -9.808 409 H ARG 67 HN ARG 67 37.669 9.849 -6.470 410 HA ARG 67 HA ARG 67 39.953 10.441 -4.746 411 HB2 ARG 67 HB2 ARG 67 38.344 10.418 -2.895 412 HB3 ARG 67 HB1 ARG 67 37.722 11.393 -4.211 413 HG2 ARG 67 HG2 ARG 67 35.806 10.259 -3.614 414 HG3 ARG 67 HG1 ARG 67 36.423 9.185 -4.864 415 HD2 ARG 67 HD2 ARG 67 37.489 7.830 -2.964 416 HD3 ARG 67 HD1 ARG 67 36.540 8.819 -1.853 417 HE ARG 67 HE ARG 67 35.522 6.849 -3.793 418 HH11 ARG 67 HH11 ARG 67 34.783 9.125 -1.193 419 HH12 ARG 67 HH12 ARG 67 33.254 8.386 -0.838 420 HH21 ARG 67 HH21 ARG 67 33.555 5.903 -3.302 421 HH22 ARG 67 HH22 ARG 67 32.570 6.534 -2.026 422 H GLN 68 HN GLN 68 38.543 7.727 -6.201 423 HA GLN 68 HA GLN 68 38.822 5.683 -4.259 424 HB2 GLN 68 HB2 GLN 68 37.377 5.542 -6.290 425 HB3 GLN 68 HB1 GLN 68 38.797 5.495 -7.315 426 HG2 GLN 68 HG2 GLN 68 38.359 3.348 -5.239 427 HG3 GLN 68 HG1 GLN 68 37.468 3.297 -6.752 428 HE21 GLN 68 HE21 GLN 68 39.644 4.318 -8.410 429 HE22 GLN 68 HE22 GLN 68 40.825 3.058 -8.499 430 H VAL 69 HN VAL 69 41.158 7.382 -6.119 431 HA VAL 69 HA VAL 69 43.248 5.536 -6.422 432 HB VAL 69 HB VAL 69 44.764 7.573 -6.484 433 HG11 VAL 69 HG11 VAL 69 43.884 8.436 -8.610 434 HG12 VAL 69 HG12 VAL 69 42.322 7.674 -8.289 435 HG13 VAL 69 HG13 VAL 69 43.760 6.678 -8.534 436 HG21 VAL 69 HG21 VAL 69 43.715 9.824 -6.539 437 HG22 VAL 69 HG22 VAL 69 43.555 9.062 -4.956 438 HG23 VAL 69 HG23 VAL 69 42.174 9.108 -6.053 439 H HIS 70 HN HIS 70 43.140 4.330 -4.482 440 HA HIS 70 HA HIS 70 43.858 5.398 -1.893 441 HB2 HIS 70 HB2 HIS 70 43.727 3.009 -1.158 442 HB3 HIS 70 HB1 HIS 70 42.289 3.513 -2.035 443 HD1 HIS 70 HD1 HIS 70 45.033 1.053 -2.074 444 HD2 HIS 70 HD2 HIS 70 42.042 2.324 -4.669 445 HE1 HIS 70 HE1 HIS 70 44.929 -0.689 -3.884 446 HE2 HIS 70 HE2 HIS 70 43.217 0.174 -5.510 447 H THR 71 HN THR 71 45.503 4.099 -4.622 448 HA THR 71 HA THR 71 48.044 3.633 -3.237 449 HB THR 71 HB THR 71 47.431 3.318 -6.223 450 HG1 THR 71 HG1 THR 71 47.035 1.101 -5.630 451 HG21 THR 71 HG21 THR 71 49.862 3.257 -5.646 452 HG22 THR 71 HG22 THR 71 49.284 1.674 -6.160 453 HG23 THR 71 HG23 THR 71 49.542 1.999 -4.446 454 H ALA 72 HN ALA 72 46.418 6.079 -5.066 455 HA ALA 72 HA ALA 72 48.894 7.656 -5.469 456 HB1 ALA 72 HB1 ALA 72 47.642 8.920 -7.157 457 HB2 ALA 72 HB2 ALA 72 46.194 7.987 -6.813 458 HB3 ALA 72 HB3 ALA 72 47.595 7.197 -7.528 459 H ASN 73 HN ASN 73 47.044 10.135 -5.693 460 HA ASN 73 HA ASN 73 47.336 10.991 -2.974 461 HB2 ASN 73 HB2 ASN 73 47.618 12.460 -5.029 462 HB3 ASN 73 HB1 ASN 73 45.875 12.425 -5.239 463 HD21 ASN 73 HD21 ASN 73 47.573 14.714 -4.866 464 HD22 ASN 73 HD22 ASN 73 47.047 15.518 -3.430 465 H LEU 74 HN LEU 74 46.005 9.482 -1.872 466 HA LEU 74 HA LEU 74 43.137 9.481 -2.170 467 HB2 LEU 74 HB2 LEU 74 43.048 7.899 -0.371 468 HB3 LEU 74 HB1 LEU 74 44.394 7.439 -1.392 469 HG LEU 74 HG LEU 74 44.672 8.883 1.284 470 HD11 LEU 74 HD11 LEU 74 43.743 6.662 1.628 471 HD12 LEU 74 HD12 LEU 74 45.400 6.737 2.216 472 HD13 LEU 74 HD13 LEU 74 45.046 5.931 0.683 473 HD21 LEU 74 HD21 LEU 74 47.062 8.255 1.168 474 HD22 LEU 74 HD22 LEU 74 46.595 9.324 -0.150 475 HD23 LEU 74 HD23 LEU 74 46.812 7.599 -0.456 476 HA PRO 75 HA PRO 75 42.134 13.069 0.381 477 HB2 PRO 75 HB2 PRO 75 39.862 11.365 1.438 478 HB3 PRO 75 HB1 PRO 75 39.826 12.994 0.742 479 HG2 PRO 75 HG2 PRO 75 39.013 10.920 -0.713 480 HG3 PRO 75 HG1 PRO 75 39.992 12.199 -1.466 481 HD2 PRO 75 HD2 PRO 75 40.854 9.453 -0.534 482 HD3 PRO 75 HD1 PRO 75 41.295 10.333 -2.018 483 H HIS 76 HN HIS 76 42.789 13.781 2.352 484 HA HIS 76 HA HIS 76 43.802 11.918 4.318 485 HB2 HIS 76 HB2 HIS 76 44.543 13.970 5.555 486 HB3 HIS 76 HB1 HIS 76 45.139 13.885 3.909 487 HD1 HIS 76 HD1 HIS 76 45.306 16.210 3.093 488 HD2 HIS 76 HD2 HIS 76 41.827 15.643 5.294 489 HE1 HIS 76 HE1 HIS 76 44.094 18.412 3.020 490 HE2 HIS 76 HE2 HIS 76 41.916 17.984 4.196 491 H VAL 77 HN VAL 77 43.149 11.758 6.505 492 HA VAL 77 HA VAL 77 40.315 12.479 7.044 493 HB VAL 77 HB VAL 77 40.158 10.397 8.434 494 HG11 VAL 77 HG11 VAL 77 39.323 10.385 6.123 495 HG12 VAL 77 HG12 VAL 77 39.978 8.804 6.551 496 HG13 VAL 77 HG13 VAL 77 40.915 9.899 5.530 497 HG21 VAL 77 HG21 VAL 77 42.886 9.694 7.263 498 HG22 VAL 77 HG22 VAL 77 41.873 8.608 8.220 499 HG23 VAL 77 HG23 VAL 77 42.550 10.060 8.957 500 H PHE 78 HN PHE 78 39.876 13.508 8.909 501 HA PHE 78 HA PHE 78 42.076 14.153 10.771 502 HB2 PHE 78 HB2 PHE 78 39.351 15.488 10.375 503 HB3 PHE 78 HB1 PHE 78 40.532 15.981 11.583 504 HD1 PHE 78 HD1 PHE 78 42.867 16.720 10.754 505 HD2 PHE 78 HD2 PHE 78 39.460 16.415 8.179 506 HE1 PHE 78 HE1 PHE 78 43.968 18.181 9.112 507 HE2 PHE 78 HE2 PHE 78 40.577 17.873 6.547 508 HZ PHE 78 HZ PHE 78 42.827 18.754 7.007 509 H ASN 79 HN ASN 79 42.206 12.765 12.410 510 HA ASN 79 HA ASN 79 40.077 11.173 13.429 511 HB2 ASN 79 HB2 ASN 79 42.861 11.762 14.505 512 HB3 ASN 79 HB1 ASN 79 41.757 10.620 15.266 513 HD21 ASN 79 HD21 ASN 79 41.304 8.673 14.231 514 HD22 ASN 79 HD22 ASN 79 42.250 8.071 12.918 515 H GLU 80 HN GLU 80 39.307 11.166 15.626 516 HA GLU 80 HA GLU 80 38.847 13.878 16.732 517 HB2 GLU 80 HB2 GLU 80 37.079 11.387 16.902 518 HB3 GLU 80 HB1 GLU 80 36.686 12.986 17.538 519 HG2 GLU 80 HG2 GLU 80 36.544 13.902 15.296 520 HG3 GLU 80 HG1 GLU 80 37.123 12.393 14.595 521 H GLY 81 HN GLY 81 39.875 14.172 18.654 522 HA2 GLY 81 HA2 GLY 81 41.127 12.242 20.253 523 HA3 GLY 81 HA1 GLY 81 40.624 13.837 20.802 524 H ARG 82 HN ARG 82 38.056 13.937 20.882 525 HA ARG 82 HA ARG 82 37.030 11.772 22.571 526 HB2 ARG 82 HB2 ARG 82 35.763 14.438 21.762 527 HB3 ARG 82 HB1 ARG 82 35.056 13.280 22.892 528 HG2 ARG 82 HG2 ARG 82 36.975 13.607 24.423 529 HG3 ARG 82 HG1 ARG 82 37.670 14.782 23.299 530 HD2 ARG 82 HD2 ARG 82 35.666 16.225 23.608 531 HD3 ARG 82 HD1 ARG 82 35.002 15.040 24.740 532 HE ARG 82 HE ARG 82 37.200 16.901 25.198 533 HH11 ARG 82 HH11 ARG 82 35.360 14.178 26.476 534 HH12 ARG 82 HH12 ARG 82 35.968 14.388 28.085 535 HH21 ARG 82 HH21 ARG 82 37.978 17.142 27.283 536 HH22 ARG 82 HH22 ARG 82 37.435 16.092 28.548 537 H GLY 83 HN GLY 83 36.952 10.134 20.960 538 HA2 GLY 83 HA2 GLY 83 35.039 10.480 18.723 539 HA3 GLY 83 HA1 GLY 83 36.237 9.203 18.888 Start of MODEL 14 1 H1 SER 11 HT1 SER 11 26.035 23.848 5.427 2 H2 SER 11 HT2 SER 11 26.553 25.087 6.459 3 H3 SER 11 HT3 SER 11 25.128 24.251 6.799 4 HA SER 11 HA SER 11 27.852 23.087 6.757 5 HB2 SER 11 HB2 SER 11 26.076 23.772 9.145 6 HB3 SER 11 HB1 SER 11 27.672 23.016 9.224 7 HG SER 11 HG SER 11 28.578 24.883 8.392 8 H ALA 12 HN ALA 12 24.550 22.583 8.059 9 HA ALA 12 HA ALA 12 24.630 19.750 7.196 10 HB1 ALA 12 HB1 ALA 12 24.975 19.861 9.650 11 HB2 ALA 12 HB2 ALA 12 23.420 19.108 9.264 12 HB3 ALA 12 HB3 ALA 12 23.481 20.784 9.815 13 H GLU 13 HN GLU 13 22.224 21.901 8.705 14 HA GLU 13 HA GLU 13 20.054 22.372 8.338 15 HB2 GLU 13 HB2 GLU 13 20.983 22.629 5.434 16 HB3 GLU 13 HB1 GLU 13 19.480 23.265 6.084 17 HG2 GLU 13 HG2 GLU 13 20.933 25.122 5.949 18 HG3 GLU 13 HG1 GLU 13 20.874 24.693 7.656 19 H CYS 14 HN CYS 14 18.646 20.692 8.737 20 HA CYS 14 HA CYS 14 18.637 18.224 7.299 21 HB2 CYS 14 HB2 CYS 14 16.547 19.308 9.236 22 HB3 CYS 14 HB1 CYS 14 16.734 17.627 8.742 23 HG CYS 14 HG CYS 14 18.161 19.197 11.238 24 H TRP 15 HN TRP 15 18.375 19.106 5.140 25 HA TRP 15 HA TRP 15 17.360 19.617 3.212 26 HB2 TRP 15 HB2 TRP 15 14.960 18.259 4.506 27 HB3 TRP 15 HB1 TRP 15 15.194 18.490 2.775 28 HD1 TRP 15 HD1 TRP 15 17.808 17.328 1.979 29 HE1 TRP 15 HE1 TRP 15 18.591 14.949 2.521 30 HE3 TRP 15 HE3 TRP 15 14.734 16.322 5.944 31 HZ2 TRP 15 HZ2 TRP 15 17.990 12.892 4.343 32 HZ3 TRP 15 HZ3 TRP 15 14.900 14.114 7.032 33 HH2 TRP 15 HH2 TRP 15 16.497 12.432 6.246 34 H ALA 16 HN ALA 16 14.852 20.378 2.407 35 HA ALA 16 HA ALA 16 13.689 22.440 4.087 36 HB1 ALA 16 HB1 ALA 16 15.551 23.737 3.088 37 HB2 ALA 16 HB2 ALA 16 13.997 24.301 2.466 38 HB3 ALA 16 HB3 ALA 16 15.025 23.267 1.469 39 H ALA 17 HN ALA 17 14.001 21.320 0.743 40 HA ALA 17 HA ALA 17 11.445 20.101 0.560 41 HB1 ALA 17 HB1 ALA 17 10.630 22.441 0.367 42 HB2 ALA 17 HB2 ALA 17 10.428 21.572 -1.156 43 HB3 ALA 17 HB3 ALA 17 11.752 22.726 -0.968 44 H LEU 18 HN LEU 18 11.906 18.419 -0.789 45 HA LEU 18 HA LEU 18 14.227 18.329 -2.459 46 HB2 LEU 18 HB2 LEU 18 13.251 16.278 -1.461 47 HB3 LEU 18 HB1 LEU 18 11.800 16.482 -2.430 48 HG LEU 18 HG LEU 18 13.176 16.153 -4.509 49 HD11 LEU 18 HD11 LEU 18 15.352 16.887 -3.701 50 HD12 LEU 18 HD12 LEU 18 15.461 15.256 -4.354 51 HD13 LEU 18 HD13 LEU 18 15.448 15.506 -2.604 52 HD21 LEU 18 HD21 LEU 18 13.442 13.718 -4.284 53 HD22 LEU 18 HD22 LEU 18 11.940 14.269 -3.545 54 HD23 LEU 18 HD23 LEU 18 13.322 13.857 -2.527 55 H LEU 19 HN LEU 19 14.220 19.920 -3.951 56 HA LEU 19 HA LEU 19 12.677 19.572 -6.347 57 HB2 LEU 19 HB2 LEU 19 11.127 20.967 -4.923 58 HB3 LEU 19 HB1 LEU 19 12.362 22.207 -4.839 59 HG LEU 19 HG LEU 19 12.208 22.530 -7.307 60 HD11 LEU 19 HD11 LEU 19 11.524 20.299 -7.991 61 HD12 LEU 19 HD12 LEU 19 10.395 21.501 -8.612 62 HD13 LEU 19 HD13 LEU 19 9.950 20.508 -7.218 63 HD21 LEU 19 HD21 LEU 19 9.547 22.808 -5.858 64 HD22 LEU 19 HD22 LEU 19 10.014 23.664 -7.332 65 HD23 LEU 19 HD23 LEU 19 10.882 23.963 -5.829 66 H HIS 20 HN HIS 20 14.702 19.237 -7.220 67 HA HIS 20 HA HIS 20 16.518 21.563 -7.528 68 HB2 HIS 20 HB2 HIS 20 16.962 18.579 -8.118 69 HB3 HIS 20 HB1 HIS 20 18.149 19.846 -8.415 70 HD1 HIS 20 HD1 HIS 20 16.708 17.721 -5.739 71 HD2 HIS 20 HD2 HIS 20 19.374 20.886 -6.084 72 HE1 HIS 20 HE1 HIS 20 17.901 17.838 -3.529 73 HE2 HIS 20 HE2 HIS 20 19.669 19.607 -3.861 74 H ASP 21 HN ASP 21 13.833 21.110 -8.774 75 HA ASP 21 HA ASP 21 14.472 20.716 -11.647 76 HB2 ASP 21 HB2 ASP 21 11.811 19.914 -10.381 77 HB3 ASP 21 HB1 ASP 21 12.455 19.442 -11.949 78 HA PRO 22 HA PRO 22 12.162 24.800 -11.414 79 HB2 PRO 22 HB2 PRO 22 13.891 26.311 -12.859 80 HB3 PRO 22 HB1 PRO 22 14.113 26.044 -11.122 81 HG2 PRO 22 HG2 PRO 22 15.478 24.645 -13.429 82 HG3 PRO 22 HG1 PRO 22 16.193 25.282 -11.932 83 HD2 PRO 22 HD2 PRO 22 15.567 22.624 -12.265 84 HD3 PRO 22 HD1 PRO 22 15.548 23.425 -10.678 85 H MET 23 HN MET 23 13.869 23.072 -13.954 86 HA MET 23 HA MET 23 11.626 23.317 -15.843 87 HB2 MET 23 HB2 MET 23 14.556 23.960 -16.454 88 HB3 MET 23 HB1 MET 23 13.355 23.667 -17.702 89 HG2 MET 23 HG2 MET 23 12.175 25.664 -17.174 90 HG3 MET 23 HG1 MET 23 13.051 25.876 -15.660 91 HE1 MET 23 HE1 MET 23 16.073 25.380 -16.389 92 HE2 MET 23 HE2 MET 23 15.538 26.804 -15.492 93 HE3 MET 23 HE3 MET 23 16.599 26.988 -16.885 94 H THR 24 HN THR 24 14.956 22.050 -15.604 95 HA THR 24 HA THR 24 14.095 19.267 -15.584 96 HB THR 24 HB THR 24 15.953 20.323 -17.795 97 HG1 THR 24 HG1 THR 24 14.136 19.388 -19.120 98 HG21 THR 24 HG21 THR 24 16.586 18.046 -17.058 99 HG22 THR 24 HG22 THR 24 15.897 18.019 -18.680 100 HG23 THR 24 HG23 THR 24 14.925 17.497 -17.304 101 H LEU 25 HN LEU 25 16.784 21.565 -15.806 102 HA LEU 25 HA LEU 25 18.213 20.319 -13.576 103 HB2 LEU 25 HB2 LEU 25 18.983 19.227 -15.716 104 HB3 LEU 25 HB1 LEU 25 19.478 20.788 -16.328 105 HG LEU 25 HG LEU 25 20.742 19.771 -13.756 106 HD11 LEU 25 HD11 LEU 25 21.622 18.858 -16.512 107 HD12 LEU 25 HD12 LEU 25 20.891 17.852 -15.257 108 HD13 LEU 25 HD13 LEU 25 22.473 18.577 -14.990 109 HD21 LEU 25 HD21 LEU 25 21.292 22.069 -14.483 110 HD22 LEU 25 HD22 LEU 25 21.887 21.457 -16.027 111 HD23 LEU 25 HD23 LEU 25 22.714 21.024 -14.527 112 H ASP 26 HN ASP 26 19.664 21.806 -12.558 113 HA ASP 26 HA ASP 26 19.724 24.595 -13.518 114 HB2 ASP 26 HB2 ASP 26 17.861 24.353 -11.822 115 HB3 ASP 26 HB1 ASP 26 19.038 23.788 -10.642 116 H MET 27 HN MET 27 21.779 25.363 -13.419 117 HA MET 27 HA MET 27 23.981 23.745 -12.781 118 HB2 MET 27 HB2 MET 27 23.815 26.753 -13.203 119 HB3 MET 27 HB1 MET 27 25.332 25.867 -13.093 120 HG2 MET 27 HG2 MET 27 24.707 24.562 -15.098 121 HG3 MET 27 HG1 MET 27 23.205 25.486 -15.212 122 HE1 MET 27 HE1 MET 27 25.338 26.866 -18.226 123 HE2 MET 27 HE2 MET 27 23.810 26.128 -17.747 124 HE3 MET 27 HE3 MET 27 25.311 25.208 -17.618 125 H ASP 28 HN ASP 28 22.458 26.374 -10.901 126 HA ASP 28 HA ASP 28 24.455 26.522 -8.857 127 HB2 ASP 28 HB2 ASP 28 22.956 28.408 -9.280 128 HB3 ASP 28 HB1 ASP 28 21.544 27.431 -8.906 129 H ALA 29 HN ALA 29 21.341 24.859 -9.142 130 HA ALA 29 HA ALA 29 21.157 23.746 -6.558 131 HB1 ALA 29 HB1 ALA 29 19.486 22.213 -7.542 132 HB2 ALA 29 HB2 ALA 29 19.998 22.693 -9.165 133 HB3 ALA 29 HB3 ALA 29 19.240 23.877 -8.099 134 H VAL 30 HN VAL 30 22.571 22.518 -9.587 135 HA VAL 30 HA VAL 30 23.229 19.914 -8.623 136 HB VAL 30 HB VAL 30 24.194 21.444 -11.076 137 HG11 VAL 30 HG11 VAL 30 25.053 19.273 -11.933 138 HG12 VAL 30 HG12 VAL 30 24.707 18.525 -10.376 139 HG13 VAL 30 HG13 VAL 30 25.925 19.795 -10.489 140 HG21 VAL 30 HG21 VAL 30 22.682 19.927 -12.316 141 HG22 VAL 30 HG22 VAL 30 21.791 20.865 -11.115 142 HG23 VAL 30 HG23 VAL 30 22.182 19.171 -10.800 143 H LEU 31 HN LEU 31 25.102 22.939 -8.991 144 HA LEU 31 HA LEU 31 27.665 21.939 -8.322 145 HB2 LEU 31 HB2 LEU 31 27.346 24.139 -9.407 146 HB3 LEU 31 HB1 LEU 31 26.546 24.752 -7.969 147 HG LEU 31 HG LEU 31 28.701 24.486 -6.677 148 HD11 LEU 31 HD11 LEU 31 29.717 22.689 -7.969 149 HD12 LEU 31 HD12 LEU 31 30.799 24.074 -7.878 150 HD13 LEU 31 HD13 LEU 31 29.903 23.755 -9.366 151 HD21 LEU 31 HD21 LEU 31 28.129 26.666 -7.658 152 HD22 LEU 31 HD22 LEU 31 28.943 26.225 -9.162 153 HD23 LEU 31 HD23 LEU 31 29.874 26.403 -7.672 154 H SER 32 HN SER 32 25.171 23.551 -6.379 155 HA SER 32 HA SER 32 26.633 23.575 -3.948 156 HB2 SER 32 HB2 SER 32 24.784 25.162 -4.414 157 HB3 SER 32 HB1 SER 32 23.619 23.840 -4.362 158 HG SER 32 HG SER 32 25.329 24.153 -2.170 159 H ASP 33 HN ASP 33 24.235 21.327 -5.313 160 HA ASP 33 HA ASP 33 23.896 19.783 -2.909 161 HB2 ASP 33 HB2 ASP 33 22.158 20.019 -4.834 162 HB3 ASP 33 HB1 ASP 33 23.113 18.815 -5.696 163 H PHE 34 HN PHE 34 25.966 19.622 -5.769 164 HA PHE 34 HA PHE 34 27.032 17.012 -5.418 165 HB2 PHE 34 HB2 PHE 34 27.380 18.291 -7.505 166 HB3 PHE 34 HB1 PHE 34 28.318 19.507 -6.640 167 HD1 PHE 34 HD1 PHE 34 28.306 15.949 -7.745 168 HD2 PHE 34 HD2 PHE 34 30.673 19.153 -6.207 169 HE1 PHE 34 HE1 PHE 34 30.345 14.648 -8.109 170 HE2 PHE 34 HE2 PHE 34 32.706 17.833 -6.595 171 HZ PHE 34 HZ PHE 34 32.539 15.579 -7.543 172 H VAL 35 HN VAL 35 28.252 20.212 -4.410 173 HA VAL 35 HA VAL 35 30.458 19.374 -2.856 174 HB VAL 35 HB VAL 35 28.762 21.916 -2.753 175 HG11 VAL 35 HG11 VAL 35 30.629 23.013 -1.540 176 HG12 VAL 35 HG12 VAL 35 31.447 21.457 -1.388 177 HG13 VAL 35 HG13 VAL 35 29.903 21.721 -0.576 178 HG21 VAL 35 HG21 VAL 35 31.471 21.371 -4.041 179 HG22 VAL 35 HG22 VAL 35 30.629 22.923 -4.041 180 HG23 VAL 35 HG23 VAL 35 29.934 21.545 -4.898 181 H ARG 36 HN ARG 36 27.092 19.865 -2.049 182 HA ARG 36 HA ARG 36 27.098 19.599 0.756 183 HB2 ARG 36 HB2 ARG 36 25.239 20.544 -0.505 184 HB3 ARG 36 HB1 ARG 36 24.992 19.036 -1.372 185 HG2 ARG 36 HG2 ARG 36 24.215 17.964 0.715 186 HG3 ARG 36 HG1 ARG 36 24.456 19.485 1.590 187 HD2 ARG 36 HD2 ARG 36 22.836 20.592 0.072 188 HD3 ARG 36 HD1 ARG 36 22.597 19.066 -0.782 189 HE ARG 36 HE ARG 36 22.001 18.918 2.043 190 HH11 ARG 36 HH11 ARG 36 20.719 19.678 -1.134 191 HH12 ARG 36 HH12 ARG 36 19.067 19.487 -0.651 192 HH21 ARG 36 HH21 ARG 36 19.821 18.650 2.655 193 HH22 ARG 36 HH22 ARG 36 18.562 18.891 1.492 194 H SER 37 HN SER 37 27.005 17.207 -1.848 195 HA SER 37 HA SER 37 26.445 14.946 -0.093 196 HB2 SER 37 HB2 SER 37 27.051 15.055 -3.092 197 HB3 SER 37 HB1 SER 37 26.546 13.612 -2.211 198 HG SER 37 HG SER 37 25.036 15.669 -3.167 199 H THR 38 HN THR 38 29.204 16.184 -1.977 200 HA THR 38 HA THR 38 30.802 13.773 -1.454 201 HB THR 38 HB THR 38 32.330 14.657 -3.205 202 HG1 THR 38 HG1 THR 38 30.662 16.630 -4.109 203 HG21 THR 38 HG21 THR 38 30.429 13.220 -3.897 204 HG22 THR 38 HG22 THR 38 30.817 14.416 -5.135 205 HG23 THR 38 HG23 THR 38 29.414 14.656 -4.089 206 H GLY 39 HN GLY 39 30.743 17.204 -0.719 207 HA2 GLY 39 HA2 GLY 39 31.971 18.442 0.797 208 HA3 GLY 39 HA1 GLY 39 32.921 17.017 1.197 209 H ALA 40 HN ALA 40 32.613 17.822 -2.150 210 HA ALA 40 HA ALA 40 35.404 18.369 -2.517 211 HB1 ALA 40 HB1 ALA 40 33.103 18.716 -4.481 212 HB2 ALA 40 HB2 ALA 40 34.038 17.240 -4.249 213 HB3 ALA 40 HB3 ALA 40 34.823 18.687 -4.886 214 H GLU 41 HN GLU 41 36.301 20.377 -3.454 215 HA GLU 41 HA GLU 41 35.222 22.776 -2.216 216 HB2 GLU 41 HB2 GLU 41 37.242 23.871 -2.843 217 HB3 GLU 41 HB1 GLU 41 37.759 22.204 -2.601 218 HG2 GLU 41 HG2 GLU 41 37.635 21.825 -5.033 219 HG3 GLU 41 HG1 GLU 41 37.133 23.505 -5.256 220 HA PRO 42 HA PRO 42 32.570 24.299 -5.500 221 HB2 PRO 42 HB2 PRO 42 33.373 26.965 -5.810 222 HB3 PRO 42 HB1 PRO 42 32.321 26.379 -4.515 223 HG2 PRO 42 HG2 PRO 42 35.311 26.800 -4.475 224 HG3 PRO 42 HG1 PRO 42 34.114 27.305 -3.277 225 HD2 PRO 42 HD2 PRO 42 35.565 25.144 -2.819 226 HD3 PRO 42 HD1 PRO 42 33.820 25.094 -2.453 227 H GLY 43 HN GLY 43 35.999 25.194 -5.963 228 HA2 GLY 43 HA2 GLY 43 35.930 25.735 -8.746 229 HA3 GLY 43 HA1 GLY 43 37.357 25.334 -7.796 230 H LEU 44 HN LEU 44 36.920 22.836 -6.950 231 HA LEU 44 HA LEU 44 37.563 21.149 -9.131 232 HB2 LEU 44 HB2 LEU 44 38.342 20.713 -6.835 233 HB3 LEU 44 HB1 LEU 44 36.689 20.472 -6.295 234 HG LEU 44 HG LEU 44 36.561 18.433 -7.798 235 HD11 LEU 44 HD11 LEU 44 38.633 17.427 -8.642 236 HD12 LEU 44 HD12 LEU 44 39.539 18.857 -8.143 237 HD13 LEU 44 HD13 LEU 44 38.306 18.986 -9.397 238 HD21 LEU 44 HD21 LEU 44 37.817 16.962 -6.285 239 HD22 LEU 44 HD22 LEU 44 36.946 18.207 -5.397 240 HD23 LEU 44 HD23 LEU 44 38.689 18.353 -5.632 241 H ALA 45 HN ALA 45 34.620 21.662 -7.261 242 HA ALA 45 HA ALA 45 33.038 19.536 -8.178 243 HB1 ALA 45 HB1 ALA 45 32.184 22.284 -7.185 244 HB2 ALA 45 HB2 ALA 45 32.498 20.866 -6.182 245 HB3 ALA 45 HB3 ALA 45 31.136 20.861 -7.301 246 H ARG 46 HN ARG 46 33.050 22.961 -9.159 247 HA ARG 46 HA ARG 46 31.299 22.810 -11.355 248 HB2 ARG 46 HB2 ARG 46 31.667 24.936 -10.351 249 HB3 ARG 46 HB1 ARG 46 33.411 24.808 -10.456 250 HG2 ARG 46 HG2 ARG 46 31.854 24.947 -13.030 251 HG3 ARG 46 HG1 ARG 46 32.001 26.416 -12.062 252 HD2 ARG 46 HD2 ARG 46 34.446 26.254 -12.132 253 HD3 ARG 46 HD1 ARG 46 34.341 24.733 -13.039 254 HE ARG 46 HE ARG 46 33.082 26.206 -14.738 255 HH11 ARG 46 HH11 ARG 46 35.751 27.402 -12.792 256 HH12 ARG 46 HH12 ARG 46 36.315 28.473 -14.029 257 HH21 ARG 46 HH21 ARG 46 33.866 27.539 -16.358 258 HH22 ARG 46 HH22 ARG 46 35.244 28.551 -16.062 259 H ASP 47 HN ASP 47 34.806 22.466 -11.152 260 HA ASP 47 HA ASP 47 35.513 22.330 -13.863 261 HB2 ASP 47 HB2 ASP 47 37.251 22.504 -12.162 262 HB3 ASP 47 HB1 ASP 47 36.731 21.010 -11.395 263 H LEU 48 HN LEU 48 34.471 19.764 -11.629 264 HA LEU 48 HA LEU 48 34.688 17.563 -13.443 265 HB2 LEU 48 HB2 LEU 48 33.052 17.865 -10.888 266 HB3 LEU 48 HB1 LEU 48 33.234 16.350 -11.758 267 HG LEU 48 HG LEU 48 35.482 17.894 -10.398 268 HD11 LEU 48 HD11 LEU 48 34.010 16.857 -8.771 269 HD12 LEU 48 HD12 LEU 48 35.564 16.032 -8.806 270 HD13 LEU 48 HD13 LEU 48 34.156 15.292 -9.577 271 HD21 LEU 48 HD21 LEU 48 36.916 15.965 -10.920 272 HD22 LEU 48 HD22 LEU 48 36.319 16.747 -12.381 273 HD23 LEU 48 HD23 LEU 48 35.597 15.227 -11.841 274 H LEU 49 HN LEU 49 32.087 19.762 -12.527 275 HA LEU 49 HA LEU 49 29.954 18.396 -13.827 276 HB2 LEU 49 HB2 LEU 49 30.254 21.229 -12.779 277 HB3 LEU 49 HB1 LEU 49 28.751 20.627 -13.465 278 HG LEU 49 HG LEU 49 30.126 19.326 -11.075 279 HD11 LEU 49 HD11 LEU 49 29.442 21.587 -10.455 280 HD12 LEU 49 HD12 LEU 49 28.470 20.369 -9.634 281 HD13 LEU 49 HD13 LEU 49 27.797 21.259 -11.003 282 HD21 LEU 49 HD21 LEU 49 27.967 18.164 -10.775 283 HD22 LEU 49 HD22 LEU 49 28.694 17.807 -12.339 284 HD23 LEU 49 HD23 LEU 49 27.349 18.943 -12.237 285 H GLU 50 HN GLU 50 32.197 20.956 -14.958 286 HA GLU 50 HA GLU 50 30.824 21.484 -17.407 287 HB2 GLU 50 HB2 GLU 50 33.773 21.810 -16.701 288 HB3 GLU 50 HB1 GLU 50 33.049 22.389 -18.201 289 HG2 GLU 50 HG2 GLU 50 31.499 23.810 -16.819 290 HG3 GLU 50 HG1 GLU 50 32.413 23.324 -15.391 291 H GLY 51 HN GLY 51 33.014 18.934 -16.403 292 HA2 GLY 51 HA2 GLY 51 33.422 17.835 -19.056 293 HA3 GLY 51 HA1 GLY 51 33.899 17.121 -17.522 294 H LYS 52 HN LYS 52 30.883 17.695 -16.757 295 HA LYS 52 HA LYS 52 29.872 15.093 -17.772 296 HB2 LYS 52 HB2 LYS 52 29.222 16.476 -15.114 297 HB3 LYS 52 HB1 LYS 52 28.598 14.915 -15.650 298 HG2 LYS 52 HG2 LYS 52 31.484 15.579 -15.028 299 HG3 LYS 52 HG1 LYS 52 30.400 14.592 -14.051 300 HD2 LYS 52 HD2 LYS 52 30.354 12.848 -15.747 301 HD3 LYS 52 HD1 LYS 52 31.237 13.865 -16.891 302 HE2 LYS 52 HE2 LYS 52 33.216 13.797 -15.448 303 HE3 LYS 52 HE1 LYS 52 32.338 12.841 -14.258 304 HZ1 LYS 52 HZ1 LYS 52 33.691 11.416 -15.521 305 HZ2 LYS 52 HZ2 LYS 52 33.123 12.022 -16.990 306 HZ3 LYS 52 HZ3 LYS 52 32.096 11.112 -15.996 307 H ASN 53 HN ASN 53 29.447 18.210 -18.442 308 HA ASN 53 HA ASN 53 27.858 19.500 -19.426 309 HB2 ASN 53 HB2 ASN 53 27.493 17.375 -20.765 310 HB3 ASN 53 HB1 ASN 53 26.241 16.907 -19.631 311 HD21 ASN 53 HD21 ASN 53 24.230 17.935 -19.735 312 HD22 ASN 53 HD22 ASN 53 23.766 18.944 -21.054 313 H TRP 54 HN TRP 54 27.912 18.965 -16.551 314 HA TRP 54 HA TRP 54 27.073 19.755 -14.654 315 HB2 TRP 54 HB2 TRP 54 25.132 21.103 -16.560 316 HB3 TRP 54 HB1 TRP 54 24.914 21.251 -14.821 317 HD1 TRP 54 HD1 TRP 54 27.258 22.423 -17.635 318 HE1 TRP 54 HE1 TRP 54 28.761 24.290 -16.700 319 HE3 TRP 54 HE3 TRP 54 25.992 22.073 -12.714 320 HZ2 TRP 54 HZ2 TRP 54 29.362 25.439 -14.189 321 HZ3 TRP 54 HZ3 TRP 54 27.067 23.592 -11.100 322 HH2 TRP 54 HH2 TRP 54 28.718 25.247 -11.822 323 H ASP 55 HN ASP 55 26.152 17.180 -15.998 324 HA ASP 55 HA ASP 55 23.647 16.544 -14.749 325 HB2 ASP 55 HB2 ASP 55 24.587 15.340 -16.791 326 HB3 ASP 55 HB1 ASP 55 25.783 14.596 -15.740 327 H LEU 56 HN LEU 56 23.386 16.210 -12.643 328 HA LEU 56 HA LEU 56 25.398 16.428 -10.698 329 HB2 LEU 56 HB2 LEU 56 23.043 17.012 -10.268 330 HB3 LEU 56 HB1 LEU 56 22.569 15.334 -10.469 331 HG LEU 56 HG LEU 56 23.940 14.753 -8.419 332 HD11 LEU 56 HD11 LEU 56 25.510 16.617 -8.423 333 HD12 LEU 56 HD12 LEU 56 24.650 16.553 -6.888 334 HD13 LEU 56 HD13 LEU 56 24.207 17.763 -8.096 335 HD21 LEU 56 HD21 LEU 56 21.694 16.750 -7.985 336 HD22 LEU 56 HD22 LEU 56 22.307 15.610 -6.781 337 HD23 LEU 56 HD23 LEU 56 21.528 15.010 -8.244 338 H THR 57 HN THR 57 23.556 13.598 -11.830 339 HA THR 57 HA THR 57 24.517 11.710 -9.984 340 HB THR 57 HB THR 57 23.411 11.156 -12.783 341 HG1 THR 57 HG1 THR 57 21.761 12.222 -11.979 342 HG21 THR 57 HG21 THR 57 23.309 9.512 -10.225 343 HG22 THR 57 HG22 THR 57 24.308 9.157 -11.637 344 HG23 THR 57 HG23 THR 57 22.551 9.078 -11.763 345 H ALA 58 HN ALA 58 25.622 12.571 -13.233 346 HA ALA 58 HA ALA 58 27.488 10.474 -13.652 347 HB1 ALA 58 HB1 ALA 58 28.327 11.862 -15.521 348 HB2 ALA 58 HB2 ALA 58 27.406 13.246 -14.914 349 HB3 ALA 58 HB3 ALA 58 26.564 11.812 -15.515 350 H ALA 59 HN ALA 59 27.742 13.722 -12.292 351 HA ALA 59 HA ALA 59 30.605 13.754 -12.043 352 HB1 ALA 59 HB1 ALA 59 28.536 15.533 -10.718 353 HB2 ALA 59 HB2 ALA 59 29.321 15.839 -12.269 354 HB3 ALA 59 HB3 ALA 59 30.280 15.837 -10.788 355 H LEU 60 HN LEU 60 27.898 13.022 -9.825 356 HA LEU 60 HA LEU 60 29.317 12.738 -7.396 357 HB2 LEU 60 HB2 LEU 60 26.800 11.351 -8.407 358 HB3 LEU 60 HB1 LEU 60 27.389 11.175 -6.761 359 HG LEU 60 HG LEU 60 26.484 13.806 -8.006 360 HD11 LEU 60 HD11 LEU 60 24.491 13.601 -6.587 361 HD12 LEU 60 HD12 LEU 60 25.012 11.998 -6.060 362 HD13 LEU 60 HD13 LEU 60 24.602 12.285 -7.754 363 HD21 LEU 60 HD21 LEU 60 26.603 14.711 -5.721 364 HD22 LEU 60 HD22 LEU 60 28.178 14.139 -6.262 365 HD23 LEU 60 HD23 LEU 60 27.235 13.170 -5.128 366 H SER 61 HN SER 61 28.470 10.414 -9.930 367 HA SER 61 HA SER 61 29.699 8.095 -8.884 368 HB2 SER 61 HB2 SER 61 27.979 8.029 -10.671 369 HB3 SER 61 HB1 SER 61 29.080 8.822 -11.792 370 HG SER 61 HG SER 61 29.933 6.481 -10.528 371 H ASP 62 HN ASP 62 30.919 10.769 -10.823 372 HA ASP 62 HA ASP 62 33.407 9.580 -11.611 373 HB2 ASP 62 HB2 ASP 62 32.348 11.424 -12.886 374 HB3 ASP 62 HB1 ASP 62 32.568 12.506 -11.516 375 H TYR 63 HN TYR 63 32.416 11.770 -8.975 376 HA TYR 63 HA TYR 63 35.003 12.382 -8.007 377 HB2 TYR 63 HB2 TYR 63 32.932 13.700 -7.463 378 HB3 TYR 63 HB1 TYR 63 32.406 12.390 -6.407 379 HD1 TYR 63 HD1 TYR 63 34.952 15.067 -6.859 380 HD2 TYR 63 HD2 TYR 63 33.432 12.107 -4.164 381 HE1 TYR 63 HE1 TYR 63 36.252 16.052 -5.032 382 HE2 TYR 63 HE2 TYR 63 34.730 13.113 -2.335 383 HH TYR 63 HH TYR 63 36.127 16.168 -2.550 384 H GLU 64 HN GLU 64 32.589 9.969 -6.929 385 HA GLU 64 HA GLU 64 34.238 8.797 -4.915 386 HB2 GLU 64 HB2 GLU 64 32.580 6.946 -4.906 387 HB3 GLU 64 HB1 GLU 64 31.801 8.525 -4.865 388 HG2 GLU 64 HG2 GLU 64 31.285 8.361 -7.246 389 HG3 GLU 64 HG1 GLU 64 32.112 6.810 -7.343 390 H GLN 65 HN GLN 65 34.047 8.407 -8.393 391 HA GLN 65 HA GLN 65 35.398 5.907 -8.623 392 HB2 GLN 65 HB2 GLN 65 33.958 7.013 -10.401 393 HB3 GLN 65 HB1 GLN 65 35.272 8.144 -10.688 394 HG2 GLN 65 HG2 GLN 65 35.335 6.436 -12.380 395 HG3 GLN 65 HG1 GLN 65 36.726 6.216 -11.321 396 HE21 GLN 65 HE21 GLN 65 33.630 4.924 -12.285 397 HE22 GLN 65 HE22 GLN 65 33.837 3.366 -11.574 398 H LEU 66 HN LEU 66 36.553 9.314 -8.825 399 HA LEU 66 HA LEU 66 39.317 8.571 -9.178 400 HB2 LEU 66 HB2 LEU 66 39.815 10.995 -8.877 401 HB3 LEU 66 HB1 LEU 66 38.622 10.667 -10.110 402 HG LEU 66 HG LEU 66 36.864 11.302 -8.250 403 HD11 LEU 66 HD11 LEU 66 39.263 12.735 -7.081 404 HD12 LEU 66 HD12 LEU 66 38.356 11.424 -6.328 405 HD13 LEU 66 HD13 LEU 66 37.573 12.974 -6.621 406 HD21 LEU 66 HD21 LEU 66 37.184 12.585 -10.299 407 HD22 LEU 66 HD22 LEU 66 38.543 13.453 -9.579 408 HD23 LEU 66 HD23 LEU 66 36.915 13.661 -8.928 409 H ARG 67 HN ARG 67 37.233 9.164 -6.455 410 HA ARG 67 HA ARG 67 39.249 9.162 -4.404 411 HB2 ARG 67 HB2 ARG 67 36.240 8.961 -4.478 412 HB3 ARG 67 HB1 ARG 67 37.057 8.469 -3.002 413 HG2 ARG 67 HG2 ARG 67 37.476 11.201 -4.259 414 HG3 ARG 67 HG1 ARG 67 36.209 10.858 -3.078 415 HD2 ARG 67 HD2 ARG 67 37.948 10.101 -1.465 416 HD3 ARG 67 HD1 ARG 67 39.189 10.518 -2.643 417 HE ARG 67 HE ARG 67 38.956 12.730 -2.112 418 HH11 ARG 67 HH11 ARG 67 36.162 11.067 -0.760 419 HH12 ARG 67 HH12 ARG 67 35.726 12.395 0.262 420 HH21 ARG 67 HH21 ARG 67 38.385 14.431 -0.741 421 HH22 ARG 67 HH22 ARG 67 36.981 14.301 0.273 422 H GLN 68 HN GLN 68 37.637 6.701 -6.255 423 HA GLN 68 HA GLN 68 38.034 4.506 -4.438 424 HB2 GLN 68 HB2 GLN 68 36.249 4.560 -6.215 425 HB3 GLN 68 HB1 GLN 68 37.494 4.451 -7.453 426 HG2 GLN 68 HG2 GLN 68 36.472 2.273 -7.118 427 HG3 GLN 68 HG1 GLN 68 38.150 2.228 -6.588 428 HE21 GLN 68 HE21 GLN 68 35.478 3.591 -4.681 429 HE22 GLN 68 HE22 GLN 68 35.530 2.396 -3.440 430 H VAL 69 HN VAL 69 40.075 6.182 -6.674 431 HA VAL 69 HA VAL 69 41.884 4.011 -7.279 432 HB VAL 69 HB VAL 69 42.500 6.982 -7.574 433 HG11 VAL 69 HG11 VAL 69 43.632 4.530 -9.010 434 HG12 VAL 69 HG12 VAL 69 44.470 5.516 -7.808 435 HG13 VAL 69 HG13 VAL 69 44.056 6.206 -9.378 436 HG21 VAL 69 HG21 VAL 69 40.359 6.565 -8.728 437 HG22 VAL 69 HG22 VAL 69 41.075 5.220 -9.616 438 HG23 VAL 69 HG23 VAL 69 41.643 6.865 -9.902 439 H HIS 70 HN HIS 70 42.433 3.218 -5.186 440 HA HIS 70 HA HIS 70 44.703 4.695 -3.973 441 HB2 HIS 70 HB2 HIS 70 42.843 2.803 -2.449 442 HB3 HIS 70 HB1 HIS 70 44.241 3.641 -1.790 443 HD1 HIS 70 HD1 HIS 70 43.967 6.373 -1.811 444 HD2 HIS 70 HD2 HIS 70 40.506 4.086 -2.054 445 HE1 HIS 70 HE1 HIS 70 42.096 7.906 -1.113 446 HE2 HIS 70 HE2 HIS 70 40.005 6.552 -1.458 447 H THR 71 HN THR 71 46.030 3.660 -5.494 448 HA THR 71 HA THR 71 47.417 2.108 -6.359 449 HB THR 71 HB THR 71 46.796 0.328 -3.951 450 HG1 THR 71 HG1 THR 71 48.772 1.568 -3.174 451 HG21 THR 71 HG21 THR 71 48.279 -0.722 -5.664 452 HG22 THR 71 HG22 THR 71 49.165 -0.374 -4.179 453 HG23 THR 71 HG23 THR 71 49.353 0.677 -5.585 454 H ALA 72 HN ALA 72 44.328 1.956 -6.686 455 HA ALA 72 HA ALA 72 43.649 -0.729 -7.348 456 HB1 ALA 72 HB1 ALA 72 41.948 0.963 -6.794 457 HB2 ALA 72 HB2 ALA 72 41.641 0.262 -8.383 458 HB3 ALA 72 HB3 ALA 72 42.359 1.873 -8.252 459 H ASN 73 HN ASN 73 44.785 2.027 -9.184 460 HA ASN 73 HA ASN 73 46.049 0.244 -11.151 461 HB2 ASN 73 HB2 ASN 73 44.385 2.726 -11.840 462 HB3 ASN 73 HB1 ASN 73 45.572 2.046 -12.944 463 HD21 ASN 73 HD21 ASN 73 42.501 1.453 -11.349 464 HD22 ASN 73 HD22 ASN 73 41.968 0.221 -12.433 465 H LEU 74 HN LEU 74 48.108 0.557 -10.390 466 HA LEU 74 HA LEU 74 50.093 1.486 -9.842 467 HB2 LEU 74 HB2 LEU 74 48.956 4.016 -11.092 468 HB3 LEU 74 HB1 LEU 74 50.627 3.843 -10.578 469 HG LEU 74 HG LEU 74 49.330 2.129 -12.745 470 HD11 LEU 74 HD11 LEU 74 51.143 4.549 -13.092 471 HD12 LEU 74 HD12 LEU 74 49.417 4.476 -13.462 472 HD13 LEU 74 HD13 LEU 74 50.550 3.487 -14.375 473 HD21 LEU 74 HD21 LEU 74 51.639 1.464 -13.291 474 HD22 LEU 74 HD22 LEU 74 51.215 1.021 -11.640 475 HD23 LEU 74 HD23 LEU 74 52.247 2.422 -11.933 476 HA PRO 75 HA PRO 75 49.336 3.230 -5.742 477 HB2 PRO 75 HB2 PRO 75 52.253 3.851 -5.591 478 HB3 PRO 75 HB1 PRO 75 51.291 2.762 -4.584 479 HG2 PRO 75 HG2 PRO 75 53.066 1.823 -6.376 480 HG3 PRO 75 HG1 PRO 75 51.537 0.966 -6.065 481 HD2 PRO 75 HD2 PRO 75 52.234 2.843 -8.343 482 HD3 PRO 75 HD1 PRO 75 51.408 1.265 -8.398 483 H HIS 76 HN HIS 76 48.169 5.038 -6.417 484 HA HIS 76 HA HIS 76 49.643 7.603 -6.501 485 HB2 HIS 76 HB2 HIS 76 48.559 7.204 -8.695 486 HB3 HIS 76 HB1 HIS 76 47.003 6.953 -7.908 487 HD1 HIS 76 HD1 HIS 76 45.615 9.005 -7.450 488 HD2 HIS 76 HD2 HIS 76 49.520 9.968 -8.498 489 HE1 HIS 76 HE1 HIS 76 45.656 11.510 -7.663 490 HE2 HIS 76 HE2 HIS 76 48.057 12.075 -8.159 491 H VAL 77 HN VAL 77 49.533 8.148 -4.400 492 HA VAL 77 HA VAL 77 47.217 7.725 -2.738 493 HB VAL 77 HB VAL 77 49.695 9.418 -2.174 494 HG11 VAL 77 HG11 VAL 77 49.055 9.240 0.231 495 HG12 VAL 77 HG12 VAL 77 47.573 8.398 -0.225 496 HG13 VAL 77 HG13 VAL 77 47.814 10.077 -0.709 497 HG21 VAL 77 HG21 VAL 77 50.313 7.066 -2.574 498 HG22 VAL 77 HG22 VAL 77 49.128 6.531 -1.379 499 HG23 VAL 77 HG23 VAL 77 50.527 7.480 -0.869 500 H PHE 78 HN PHE 78 45.510 8.820 -3.639 501 HA PHE 78 HA PHE 78 45.575 11.661 -4.205 502 HB2 PHE 78 HB2 PHE 78 44.093 10.131 -5.508 503 HB3 PHE 78 HB1 PHE 78 43.200 9.730 -4.044 504 HD1 PHE 78 HD2 PHE 78 44.103 12.622 -6.275 505 HD2 PHE 78 HD1 PHE 78 41.309 11.071 -3.417 506 HE1 PHE 78 HE2 PHE 78 42.608 14.536 -6.679 507 HE2 PHE 78 HE1 PHE 78 39.829 12.988 -3.833 508 HZ PHE 78 HZ PHE 78 40.472 14.719 -5.460 509 H ASN 79 HN ASN 79 46.223 12.597 -2.287 510 HA ASN 79 HA ASN 79 44.185 13.243 -0.398 511 HB2 ASN 79 HB2 ASN 79 44.961 10.976 0.471 512 HB3 ASN 79 HB1 ASN 79 46.538 11.685 0.765 513 HD21 ASN 79 HD21 ASN 79 44.629 10.503 2.646 514 HD22 ASN 79 HD22 ASN 79 44.306 11.716 3.834 515 H GLU 80 HN GLU 80 44.587 15.354 -0.582 516 HA GLU 80 HA GLU 80 47.192 16.389 0.405 517 HB2 GLU 80 HB2 GLU 80 46.683 16.789 -2.131 518 HB3 GLU 80 HB1 GLU 80 45.427 17.889 -1.592 519 HG2 GLU 80 HG2 GLU 80 48.401 18.179 -1.019 520 HG3 GLU 80 HG1 GLU 80 47.502 19.061 -2.245 521 H GLY 81 HN GLY 81 46.762 17.127 2.404 522 HA2 GLY 81 HA2 GLY 81 45.142 19.200 3.111 523 HA3 GLY 81 HA1 GLY 81 44.119 17.785 3.333 524 H ARG 82 HN ARG 82 46.841 19.583 4.536 525 HA ARG 82 HA ARG 82 47.572 17.819 6.673 526 HB2 ARG 82 HB2 ARG 82 49.182 19.463 5.961 527 HB3 ARG 82 HB1 ARG 82 48.037 20.782 6.178 528 HG2 ARG 82 HG2 ARG 82 48.110 20.490 8.607 529 HG3 ARG 82 HG1 ARG 82 49.192 19.109 8.444 530 HD2 ARG 82 HD2 ARG 82 49.866 21.955 7.593 531 HD3 ARG 82 HD1 ARG 82 50.359 21.205 9.111 532 HE ARG 82 HE ARG 82 51.517 20.815 6.514 533 HH11 ARG 82 HH11 ARG 82 51.104 19.269 9.664 534 HH12 ARG 82 HH12 ARG 82 52.506 18.267 9.472 535 HH21 ARG 82 HH21 ARG 82 53.326 19.466 6.304 536 HH22 ARG 82 HH22 ARG 82 53.759 18.389 7.593 537 H GLY 83 HN GLY 83 46.871 17.803 8.825 538 HA2 GLY 83 HA2 GLY 83 45.339 19.703 10.142 539 HA3 GLY 83 HA1 GLY 83 44.203 18.589 9.378 Start of MODEL 15 1 H1 SER 11 HT1 SER 11 20.086 10.099 9.573 2 H2 SER 11 HT2 SER 11 18.517 9.472 9.478 3 H3 SER 11 HT3 SER 11 19.567 8.947 10.688 4 HA SER 11 HA SER 11 17.902 10.466 11.520 5 HB2 SER 11 HB2 SER 11 20.745 11.569 11.587 6 HB3 SER 11 HB1 SER 11 19.475 11.899 12.770 7 HG SER 11 HG SER 11 19.472 9.665 13.278 8 H ALA 12 HN ALA 12 20.317 12.378 9.662 9 HA ALA 12 HA ALA 12 18.410 14.549 9.281 10 HB1 ALA 12 HB1 ALA 12 20.316 15.781 8.317 11 HB2 ALA 12 HB2 ALA 12 21.312 14.325 8.418 12 HB3 ALA 12 HB3 ALA 12 20.723 15.093 9.892 13 H GLU 13 HN GLU 13 16.960 13.240 7.991 14 HA GLU 13 HA GLU 13 15.995 12.368 6.155 15 HB2 GLU 13 HB2 GLU 13 17.403 14.780 4.971 16 HB3 GLU 13 HB1 GLU 13 16.293 13.793 4.036 17 HG2 GLU 13 HG2 GLU 13 15.104 15.725 4.829 18 HG3 GLU 13 HG1 GLU 13 14.482 14.299 5.652 19 H CYS 14 HN CYS 14 17.318 10.455 6.445 20 HA CYS 14 HA CYS 14 19.432 9.738 4.694 21 HB2 CYS 14 HB2 CYS 14 17.339 7.932 5.988 22 HB3 CYS 14 HB1 CYS 14 18.899 7.419 5.338 23 HG CYS 14 HG CYS 14 20.440 8.556 7.247 24 H TRP 15 HN TRP 15 16.004 10.037 4.282 25 HA TRP 15 HA TRP 15 15.864 8.642 1.719 26 HB2 TRP 15 HB2 TRP 15 13.753 10.182 3.286 27 HB3 TRP 15 HB1 TRP 15 13.446 9.263 1.816 28 HD1 TRP 15 HD1 TRP 15 13.709 8.842 5.557 29 HE1 TRP 15 HE1 TRP 15 13.310 6.384 6.176 30 HE3 TRP 15 HE3 TRP 15 13.914 6.780 0.879 31 HZ2 TRP 15 HZ2 TRP 15 13.119 3.892 4.869 32 HZ3 TRP 15 HZ3 TRP 15 13.616 4.348 0.649 33 HH2 TRP 15 HH2 TRP 15 13.226 2.928 2.605 34 H ALA 16 HN ALA 16 17.470 11.232 2.146 35 HA ALA 16 HA ALA 16 16.221 13.115 0.314 36 HB1 ALA 16 HB1 ALA 16 17.613 13.940 2.171 37 HB2 ALA 16 HB2 ALA 16 18.280 14.438 0.614 38 HB3 ALA 16 HB3 ALA 16 19.020 13.105 1.509 39 H ALA 17 HN ALA 17 16.256 10.750 -0.929 40 HA ALA 17 HA ALA 17 18.450 10.591 -2.851 41 HB1 ALA 17 HB1 ALA 17 15.887 8.960 -2.603 42 HB2 ALA 17 HB2 ALA 17 17.467 8.510 -1.961 43 HB3 ALA 17 HB3 ALA 17 17.226 8.612 -3.705 44 H LEU 18 HN LEU 18 15.948 12.617 -2.460 45 HA LEU 18 HA LEU 18 14.887 12.768 -5.152 46 HB2 LEU 18 HB2 LEU 18 13.617 14.755 -4.190 47 HB3 LEU 18 HB1 LEU 18 13.280 13.190 -3.475 48 HG LEU 18 HG LEU 18 14.846 13.861 -1.548 49 HD11 LEU 18 HD11 LEU 18 16.072 15.706 -2.534 50 HD12 LEU 18 HD12 LEU 18 15.195 16.256 -1.109 51 HD13 LEU 18 HD13 LEU 18 14.585 16.639 -2.723 52 HD21 LEU 18 HD21 LEU 18 12.304 15.466 -1.921 53 HD22 LEU 18 HD22 LEU 18 13.129 15.182 -0.383 54 HD23 LEU 18 HD23 LEU 18 12.433 13.829 -1.271 55 H LEU 19 HN LEU 19 14.698 15.160 -5.979 56 HA LEU 19 HA LEU 19 15.638 16.775 -7.184 57 HB2 LEU 19 HB2 LEU 19 15.758 17.889 -5.018 58 HB3 LEU 19 HB1 LEU 19 17.324 17.162 -4.701 59 HG LEU 19 HG LEU 19 18.365 18.501 -6.487 60 HD11 LEU 19 HD11 LEU 19 17.125 20.254 -7.697 61 HD12 LEU 19 HD12 LEU 19 15.614 19.682 -6.985 62 HD13 LEU 19 HD13 LEU 19 16.526 18.642 -8.082 63 HD21 LEU 19 HD21 LEU 19 18.152 20.740 -5.496 64 HD22 LEU 19 HD22 LEU 19 18.282 19.496 -4.255 65 HD23 LEU 19 HD23 LEU 19 16.712 20.227 -4.610 66 H HIS 20 HN HIS 20 16.372 15.224 -8.670 67 HA HIS 20 HA HIS 20 19.296 15.068 -8.953 68 HB2 HIS 20 HB2 HIS 20 18.621 13.784 -11.147 69 HB3 HIS 20 HB1 HIS 20 18.447 12.976 -9.600 70 HD1 HIS 20 HD1 HIS 20 16.519 14.012 -12.572 71 HD2 HIS 20 HD2 HIS 20 15.709 12.734 -8.700 72 HE1 HIS 20 HE1 HIS 20 14.101 13.309 -12.577 73 HE2 HIS 20 HE2 HIS 20 13.630 12.541 -10.230 74 H ASP 21 HN ASP 21 16.402 16.498 -10.390 75 HA ASP 21 HA ASP 21 17.911 18.855 -11.144 76 HB2 ASP 21 HB2 ASP 21 17.218 18.956 -13.470 77 HB3 ASP 21 HB1 ASP 21 18.004 17.401 -13.225 78 HA PRO 22 HA PRO 22 14.017 20.530 -9.654 79 HB2 PRO 22 HB2 PRO 22 14.205 23.136 -10.358 80 HB3 PRO 22 HB1 PRO 22 15.272 22.414 -9.143 81 HG2 PRO 22 HG2 PRO 22 15.819 22.958 -12.059 82 HG3 PRO 22 HG1 PRO 22 16.852 23.287 -10.652 83 HD2 PRO 22 HD2 PRO 22 17.172 21.080 -12.258 84 HD3 PRO 22 HD1 PRO 22 17.604 21.091 -10.536 85 H MET 23 HN MET 23 14.728 20.760 -13.062 86 HA MET 23 HA MET 23 12.007 20.509 -13.916 87 HB2 MET 23 HB2 MET 23 11.890 22.905 -13.469 88 HB3 MET 23 HB1 MET 23 13.406 23.193 -14.304 89 HG2 MET 23 HG2 MET 23 12.336 22.575 -16.444 90 HG3 MET 23 HG1 MET 23 10.810 22.314 -15.594 91 HE1 MET 23 HE1 MET 23 11.508 24.384 -18.160 92 HE2 MET 23 HE2 MET 23 10.385 25.673 -17.724 93 HE3 MET 23 HE3 MET 23 9.889 23.987 -17.585 94 H THR 24 HN THR 24 15.282 21.569 -14.818 95 HA THR 24 HA THR 24 15.535 19.417 -16.770 96 HB THR 24 HB THR 24 15.902 22.336 -17.618 97 HG1 THR 24 HG1 THR 24 13.859 20.472 -17.986 98 HG21 THR 24 HG21 THR 24 16.399 21.436 -19.872 99 HG22 THR 24 HG22 THR 24 16.319 19.789 -19.245 100 HG23 THR 24 HG23 THR 24 17.595 20.882 -18.698 101 H LEU 25 HN LEU 25 17.158 22.482 -15.850 102 HA LEU 25 HA LEU 25 19.394 21.199 -14.574 103 HB2 LEU 25 HB2 LEU 25 20.124 20.848 -16.883 104 HB3 LEU 25 HB1 LEU 25 19.793 22.523 -17.293 105 HG LEU 25 HG LEU 25 21.646 23.253 -15.773 106 HD11 LEU 25 HD11 LEU 25 23.236 21.654 -14.862 107 HD12 LEU 25 HD12 LEU 25 22.237 20.312 -15.423 108 HD13 LEU 25 HD13 LEU 25 21.626 21.411 -14.182 109 HD21 LEU 25 HD21 LEU 25 22.522 21.250 -17.885 110 HD22 LEU 25 HD22 LEU 25 23.514 22.542 -17.200 111 HD23 LEU 25 HD23 LEU 25 22.098 22.941 -18.171 112 H ASP 26 HN ASP 26 19.605 22.524 -12.875 113 HA ASP 26 HA ASP 26 19.981 25.424 -13.374 114 HB2 ASP 26 HB2 ASP 26 17.989 24.862 -11.869 115 HB3 ASP 26 HB1 ASP 26 19.125 24.152 -10.726 116 H MET 27 HN MET 27 22.139 25.573 -13.586 117 HA MET 27 HA MET 27 24.024 23.669 -12.765 118 HB2 MET 27 HB2 MET 27 24.411 26.570 -13.601 119 HB3 MET 27 HB1 MET 27 25.742 25.438 -13.377 120 HG2 MET 27 HG2 MET 27 24.763 23.996 -15.155 121 HG3 MET 27 HG1 MET 27 23.516 25.221 -15.419 122 HE1 MET 27 HE1 MET 27 25.465 24.090 -17.730 123 HE2 MET 27 HE2 MET 27 25.873 25.580 -18.578 124 HE3 MET 27 HE3 MET 27 24.218 25.302 -18.034 125 H ASP 28 HN ASP 28 22.908 26.603 -11.171 126 HA ASP 28 HA ASP 28 24.822 26.784 -9.085 127 HB2 ASP 28 HB2 ASP 28 23.292 28.633 -9.643 128 HB3 ASP 28 HB1 ASP 28 21.901 27.654 -9.195 129 H ALA 29 HN ALA 29 21.670 25.134 -9.288 130 HA ALA 29 HA ALA 29 21.613 24.127 -6.617 131 HB1 ALA 29 HB1 ALA 29 19.727 22.753 -7.378 132 HB2 ALA 29 HB2 ALA 29 20.122 23.112 -9.064 133 HB3 ALA 29 HB3 ALA 29 19.584 24.403 -7.988 134 H VAL 30 HN VAL 30 22.590 22.697 -9.718 135 HA VAL 30 HA VAL 30 23.116 20.070 -8.800 136 HB VAL 30 HB VAL 30 24.295 21.542 -11.206 137 HG11 VAL 30 HG11 VAL 30 24.152 18.547 -10.688 138 HG12 VAL 30 HG12 VAL 30 25.617 19.530 -10.679 139 HG13 VAL 30 HG13 VAL 30 24.716 19.311 -12.178 140 HG21 VAL 30 HG21 VAL 30 21.835 21.486 -11.285 141 HG22 VAL 30 HG22 VAL 30 21.845 19.738 -11.036 142 HG23 VAL 30 HG23 VAL 30 22.515 20.424 -12.519 143 H LEU 31 HN LEU 31 25.084 22.987 -8.973 144 HA LEU 31 HA LEU 31 27.594 21.928 -8.174 145 HB2 LEU 31 HB2 LEU 31 27.338 24.100 -9.309 146 HB3 LEU 31 HB1 LEU 31 26.435 24.729 -7.945 147 HG LEU 31 HG LEU 31 28.499 24.559 -6.522 148 HD11 LEU 31 HD11 LEU 31 29.669 22.760 -7.657 149 HD12 LEU 31 HD12 LEU 31 30.689 24.197 -7.612 150 HD13 LEU 31 HD13 LEU 31 29.861 23.746 -9.110 151 HD21 LEU 31 HD21 LEU 31 27.903 26.678 -7.644 152 HD22 LEU 31 HD22 LEU 31 28.867 26.208 -9.047 153 HD23 LEU 31 HD23 LEU 31 29.650 26.486 -7.491 154 H SER 32 HN SER 32 24.979 23.537 -6.373 155 HA SER 32 HA SER 32 26.307 23.667 -3.872 156 HB2 SER 32 HB2 SER 32 24.417 25.147 -4.530 157 HB3 SER 32 HB1 SER 32 23.315 23.772 -4.454 158 HG SER 32 HG SER 32 23.205 24.037 -2.381 159 H ASP 33 HN ASP 33 23.843 21.432 -5.129 160 HA ASP 33 HA ASP 33 23.668 19.755 -2.857 161 HB2 ASP 33 HB2 ASP 33 22.800 19.466 -5.744 162 HB3 ASP 33 HB1 ASP 33 22.697 18.082 -4.656 163 H PHE 34 HN PHE 34 25.746 19.667 -5.748 164 HA PHE 34 HA PHE 34 26.904 17.113 -5.348 165 HB2 PHE 34 HB2 PHE 34 27.209 18.366 -7.458 166 HB3 PHE 34 HB1 PHE 34 28.165 19.586 -6.622 167 HD1 PHE 34 HD2 PHE 34 28.129 16.011 -7.689 168 HD2 PHE 34 HD1 PHE 34 30.504 19.229 -6.191 169 HE1 PHE 34 HE2 PHE 34 30.169 14.711 -8.082 170 HE2 PHE 34 HE1 PHE 34 32.534 17.905 -6.593 171 HZ PHE 34 HZ PHE 34 32.364 15.660 -7.539 172 H VAL 35 HN VAL 35 28.179 20.328 -4.427 173 HA VAL 35 HA VAL 35 30.461 19.558 -3.026 174 HB VAL 35 HB VAL 35 28.699 22.026 -2.708 175 HG11 VAL 35 HG11 VAL 35 31.482 21.617 -1.553 176 HG12 VAL 35 HG12 VAL 35 29.989 21.782 -0.627 177 HG13 VAL 35 HG13 VAL 35 30.595 23.142 -1.574 178 HG21 VAL 35 HG21 VAL 35 30.436 23.160 -4.060 179 HG22 VAL 35 HG22 VAL 35 29.738 21.793 -4.934 180 HG23 VAL 35 HG23 VAL 35 31.331 21.640 -4.189 181 H ARG 36 HN ARG 36 27.163 20.065 -1.836 182 HA ARG 36 HA ARG 36 27.696 19.695 0.932 183 HB2 ARG 36 HB2 ARG 36 25.751 20.950 0.115 184 HB3 ARG 36 HB1 ARG 36 25.090 19.503 -0.641 185 HG2 ARG 36 HG2 ARG 36 24.692 18.489 1.537 186 HG3 ARG 36 HG1 ARG 36 25.509 19.826 2.351 187 HD2 ARG 36 HD2 ARG 36 23.052 20.020 2.502 188 HD3 ARG 36 HD1 ARG 36 23.767 21.378 1.627 189 HE ARG 36 HE ARG 36 22.805 19.184 -0.033 190 HH11 ARG 36 HH11 ARG 36 22.030 22.319 1.373 191 HH12 ARG 36 HH12 ARG 36 20.715 22.598 0.279 192 HH21 ARG 36 HH21 ARG 36 21.083 19.592 -1.435 193 HH22 ARG 36 HH22 ARG 36 20.191 21.066 -1.300 194 H SER 37 HN SER 37 26.889 17.442 -1.680 195 HA SER 37 HA SER 37 26.206 15.232 0.080 196 HB2 SER 37 HB2 SER 37 25.110 15.477 -2.131 197 HB3 SER 37 HB1 SER 37 26.664 15.283 -2.940 198 HG SER 37 HG SER 37 25.382 13.350 -2.836 199 H THR 38 HN THR 38 28.923 16.047 -2.071 200 HA THR 38 HA THR 38 30.286 13.524 -1.606 201 HB THR 38 HB THR 38 31.899 14.371 -3.307 202 HG1 THR 38 HG1 THR 38 30.375 16.532 -4.052 203 HG21 THR 38 HG21 THR 38 29.000 14.672 -4.165 204 HG22 THR 38 HG22 THR 38 29.901 13.153 -4.094 205 HG23 THR 38 HG23 THR 38 30.376 14.407 -5.240 206 H GLY 39 HN GLY 39 30.544 16.865 -0.597 207 HA2 GLY 39 HA2 GLY 39 31.926 17.863 0.971 208 HA3 GLY 39 HA1 GLY 39 32.814 16.354 1.151 209 H ALA 40 HN ALA 40 32.347 17.531 -2.070 210 HA ALA 40 HA ALA 40 35.178 17.954 -2.488 211 HB1 ALA 40 HB1 ALA 40 33.798 16.874 -4.218 212 HB2 ALA 40 HB2 ALA 40 34.555 18.342 -4.843 213 HB3 ALA 40 HB3 ALA 40 32.846 18.350 -4.397 214 H GLU 41 HN GLU 41 36.028 19.922 -3.530 215 HA GLU 41 HA GLU 41 35.127 22.316 -2.103 216 HB2 GLU 41 HB2 GLU 41 37.307 23.165 -2.437 217 HB3 GLU 41 HB1 GLU 41 37.589 21.434 -2.293 218 HG2 GLU 41 HG2 GLU 41 37.576 21.367 -4.847 219 HG3 GLU 41 HG1 GLU 41 37.630 23.133 -4.794 220 HA PRO 42 HA PRO 42 32.785 24.245 -5.306 221 HB2 PRO 42 HB2 PRO 42 33.887 26.817 -5.575 222 HB3 PRO 42 HB1 PRO 42 32.786 26.323 -4.281 223 HG2 PRO 42 HG2 PRO 42 35.807 26.402 -4.273 224 HG3 PRO 42 HG1 PRO 42 34.681 27.012 -3.050 225 HD2 PRO 42 HD2 PRO 42 35.870 24.697 -2.641 226 HD3 PRO 42 HD1 PRO 42 34.128 24.833 -2.288 227 H GLY 43 HN GLY 43 36.271 24.824 -5.860 228 HA2 GLY 43 HA2 GLY 43 36.096 25.395 -8.649 229 HA3 GLY 43 HA1 GLY 43 37.554 24.982 -7.760 230 H LEU 44 HN LEU 44 37.129 22.486 -6.876 231 HA LEU 44 HA LEU 44 37.595 20.755 -9.046 232 HB2 LEU 44 HB2 LEU 44 38.351 20.236 -6.774 233 HB3 LEU 44 HB1 LEU 44 36.697 20.156 -6.199 234 HG LEU 44 HG LEU 44 36.338 18.116 -7.647 235 HD11 LEU 44 HD11 LEU 44 38.272 16.934 -8.568 236 HD12 LEU 44 HD12 LEU 44 39.324 18.279 -8.120 237 HD13 LEU 44 HD13 LEU 44 38.061 18.508 -9.334 238 HD21 LEU 44 HD21 LEU 44 36.873 17.875 -5.259 239 HD22 LEU 44 HD22 LEU 44 38.599 17.866 -5.638 240 HD23 LEU 44 HD23 LEU 44 37.560 16.556 -6.210 241 H ALA 45 HN ALA 45 34.720 21.380 -7.134 242 HA ALA 45 HA ALA 45 32.983 19.403 -8.030 243 HB1 ALA 45 HB1 ALA 45 31.186 20.871 -7.139 244 HB2 ALA 45 HB2 ALA 45 32.337 22.211 -7.044 245 HB3 ALA 45 HB3 ALA 45 32.561 20.779 -6.035 246 H ARG 46 HN ARG 46 33.133 22.799 -9.010 247 HA ARG 46 HA ARG 46 31.223 22.698 -11.077 248 HB2 ARG 46 HB2 ARG 46 31.724 24.769 -9.950 249 HB3 ARG 46 HB1 ARG 46 33.426 24.677 -10.367 250 HG2 ARG 46 HG2 ARG 46 31.431 24.867 -12.605 251 HG3 ARG 46 HG1 ARG 46 31.724 26.308 -11.634 252 HD2 ARG 46 HD2 ARG 46 34.107 26.227 -12.173 253 HD3 ARG 46 HD1 ARG 46 33.880 24.712 -13.061 254 HE ARG 46 HE ARG 46 32.719 25.907 -14.744 255 HH11 ARG 46 HH11 ARG 46 33.968 28.131 -12.332 256 HH12 ARG 46 HH12 ARG 46 34.057 29.467 -13.437 257 HH21 ARG 46 HH21 ARG 46 32.833 27.614 -16.187 258 HH22 ARG 46 HH22 ARG 46 33.420 29.156 -15.652 259 H ASP 47 HN ASP 47 34.739 22.318 -11.096 260 HA ASP 47 HA ASP 47 35.169 22.400 -13.908 261 HB2 ASP 47 HB2 ASP 47 36.984 22.685 -12.215 262 HB3 ASP 47 HB1 ASP 47 36.827 20.986 -11.769 263 H LEU 48 HN LEU 48 34.491 19.753 -11.656 264 HA LEU 48 HA LEU 48 34.681 17.576 -13.511 265 HB2 LEU 48 HB2 LEU 48 33.175 17.845 -10.870 266 HB3 LEU 48 HB1 LEU 48 33.231 16.345 -11.790 267 HG LEU 48 HG LEU 48 35.637 17.748 -10.554 268 HD11 LEU 48 HD11 LEU 48 34.211 16.755 -8.841 269 HD12 LEU 48 HD12 LEU 48 35.713 15.846 -8.997 270 HD13 LEU 48 HD13 LEU 48 34.220 15.206 -9.691 271 HD21 LEU 48 HD21 LEU 48 35.486 15.104 -12.041 272 HD22 LEU 48 HD22 LEU 48 36.901 15.729 -11.190 273 HD23 LEU 48 HD23 LEU 48 36.280 16.581 -12.598 274 H LEU 49 HN LEU 49 32.042 19.581 -12.299 275 HA LEU 49 HA LEU 49 29.865 18.270 -13.448 276 HB2 LEU 49 HB2 LEU 49 30.314 21.085 -12.457 277 HB3 LEU 49 HB1 LEU 49 28.768 20.625 -13.153 278 HG LEU 49 HG LEU 49 30.000 19.130 -10.801 279 HD11 LEU 49 HD11 LEU 49 29.617 21.451 -10.112 280 HD12 LEU 49 HD12 LEU 49 28.499 20.346 -9.314 281 HD13 LEU 49 HD13 LEU 49 27.941 21.349 -10.659 282 HD21 LEU 49 HD21 LEU 49 28.353 17.851 -12.068 283 HD22 LEU 49 HD22 LEU 49 27.186 19.168 -11.938 284 HD23 LEU 49 HD23 LEU 49 27.698 18.293 -10.491 285 H GLU 50 HN GLU 50 31.811 20.985 -14.782 286 HA GLU 50 HA GLU 50 30.351 21.377 -17.158 287 HB2 GLU 50 HB2 GLU 50 33.332 21.724 -16.657 288 HB3 GLU 50 HB1 GLU 50 32.502 22.307 -18.097 289 HG2 GLU 50 HG2 GLU 50 31.074 23.737 -16.614 290 HG3 GLU 50 HG1 GLU 50 32.056 23.227 -15.244 291 H GLY 51 HN GLY 51 32.967 19.101 -16.399 292 HA2 GLY 51 HA2 GLY 51 33.194 17.932 -19.005 293 HA3 GLY 51 HA1 GLY 51 33.842 17.287 -17.502 294 H LYS 52 HN LYS 52 30.997 17.452 -16.358 295 HA LYS 52 HA LYS 52 30.126 14.799 -17.311 296 HB2 LYS 52 HB2 LYS 52 29.458 16.314 -14.744 297 HB3 LYS 52 HB1 LYS 52 28.875 14.699 -15.147 298 HG2 LYS 52 HG2 LYS 52 31.755 15.503 -14.650 299 HG3 LYS 52 HG1 LYS 52 30.718 14.606 -13.556 300 HD2 LYS 52 HD2 LYS 52 31.650 12.734 -14.442 301 HD3 LYS 52 HD1 LYS 52 30.645 13.023 -15.852 302 HE2 LYS 52 HE2 LYS 52 32.492 14.216 -16.948 303 HE3 LYS 52 HE1 LYS 52 33.495 14.043 -15.507 304 HZ1 LYS 52 HZ1 LYS 52 32.430 11.764 -17.077 305 HZ2 LYS 52 HZ2 LYS 52 33.541 11.700 -15.803 306 HZ3 LYS 52 HZ3 LYS 52 33.978 12.420 -17.267 307 H ASN 53 HN ASN 53 29.464 17.615 -18.461 308 HA ASN 53 HA ASN 53 27.773 18.602 -19.613 309 HB2 ASN 53 HB2 ASN 53 27.486 16.138 -20.328 310 HB3 ASN 53 HB1 ASN 53 26.170 16.039 -19.172 311 HD21 ASN 53 HD21 ASN 53 24.603 15.620 -20.727 312 HD22 ASN 53 HD22 ASN 53 24.097 16.777 -21.904 313 H TRP 54 HN TRP 54 27.919 18.733 -16.698 314 HA TRP 54 HA TRP 54 26.982 19.356 -14.769 315 HB2 TRP 54 HB2 TRP 54 25.263 20.871 -16.745 316 HB3 TRP 54 HB1 TRP 54 25.034 21.059 -15.012 317 HD1 TRP 54 HD1 TRP 54 27.543 21.881 -17.798 318 HE1 TRP 54 HE1 TRP 54 29.205 23.629 -16.919 319 HE3 TRP 54 HE3 TRP 54 26.149 21.948 -12.863 320 HZ2 TRP 54 HZ2 TRP 54 29.861 24.861 -14.477 321 HZ3 TRP 54 HZ3 TRP 54 27.341 23.448 -11.328 322 HH2 TRP 54 HH2 TRP 54 29.160 24.877 -12.116 323 H ASP 55 HN ASP 55 26.086 16.854 -15.939 324 HA ASP 55 HA ASP 55 23.476 16.397 -14.729 325 HB2 ASP 55 HB2 ASP 55 24.220 15.154 -16.798 326 HB3 ASP 55 HB1 ASP 55 25.494 14.393 -15.859 327 H LEU 56 HN LEU 56 23.330 16.221 -12.598 328 HA LEU 56 HA LEU 56 25.390 16.316 -10.736 329 HB2 LEU 56 HB2 LEU 56 23.071 16.971 -10.222 330 HB3 LEU 56 HB1 LEU 56 22.548 15.301 -10.370 331 HG LEU 56 HG LEU 56 23.947 14.710 -8.361 332 HD11 LEU 56 HD11 LEU 56 24.398 17.709 -8.127 333 HD12 LEU 56 HD12 LEU 56 25.628 16.487 -8.470 334 HD13 LEU 56 HD13 LEU 56 24.818 16.503 -6.906 335 HD21 LEU 56 HD21 LEU 56 21.866 16.874 -7.897 336 HD22 LEU 56 HD22 LEU 56 22.443 15.723 -6.688 337 HD23 LEU 56 HD23 LEU 56 21.558 15.144 -8.100 338 H THR 57 HN THR 57 23.463 13.484 -11.749 339 HA THR 57 HA THR 57 24.544 11.619 -9.931 340 HB THR 57 HB THR 57 23.301 10.994 -12.647 341 HG1 THR 57 HG1 THR 57 21.322 11.033 -11.477 342 HG21 THR 57 HG21 THR 57 22.552 8.915 -11.544 343 HG22 THR 57 HG22 THR 57 23.357 9.404 -10.053 344 HG23 THR 57 HG23 THR 57 24.317 9.036 -11.490 345 H ALA 58 HN ALA 58 25.494 12.537 -13.208 346 HA ALA 58 HA ALA 58 27.476 10.554 -13.689 347 HB1 ALA 58 HB1 ALA 58 26.503 11.922 -15.497 348 HB2 ALA 58 HB2 ALA 58 28.261 12.070 -15.477 349 HB3 ALA 58 HB3 ALA 58 27.256 13.370 -14.825 350 H ALA 59 HN ALA 59 27.540 13.748 -12.184 351 HA ALA 59 HA ALA 59 30.384 13.954 -11.924 352 HB1 ALA 59 HB1 ALA 59 28.193 15.456 -10.470 353 HB2 ALA 59 HB2 ALA 59 28.936 15.932 -12.000 354 HB3 ALA 59 HB3 ALA 59 29.903 15.906 -10.525 355 H LEU 60 HN LEU 60 27.774 12.846 -9.776 356 HA LEU 60 HA LEU 60 29.244 12.536 -7.379 357 HB2 LEU 60 HB2 LEU 60 26.848 10.932 -8.380 358 HB3 LEU 60 HB1 LEU 60 27.444 10.913 -6.725 359 HG LEU 60 HG LEU 60 26.257 13.340 -8.135 360 HD11 LEU 60 HD11 LEU 60 25.028 11.578 -5.997 361 HD12 LEU 60 HD12 LEU 60 24.543 11.668 -7.693 362 HD13 LEU 60 HD13 LEU 60 24.329 13.068 -6.644 363 HD21 LEU 60 HD21 LEU 60 26.292 14.436 -5.938 364 HD22 LEU 60 HD22 LEU 60 27.918 14.017 -6.471 365 HD23 LEU 60 HD23 LEU 60 27.116 13.036 -5.240 366 H SER 61 HN SER 61 28.515 10.301 -10.029 367 HA SER 61 HA SER 61 29.886 8.009 -9.107 368 HB2 SER 61 HB2 SER 61 28.158 7.893 -10.843 369 HB3 SER 61 HB1 SER 61 29.126 8.884 -11.929 370 HG SER 61 HG SER 61 30.454 7.214 -12.300 371 H ASP 62 HN ASP 62 30.930 10.702 -11.174 372 HA ASP 62 HA ASP 62 33.424 9.532 -11.970 373 HB2 ASP 62 HB2 ASP 62 32.223 11.276 -13.309 374 HB3 ASP 62 HB1 ASP 62 32.571 12.456 -12.057 375 H TYR 63 HN TYR 63 32.499 11.996 -9.577 376 HA TYR 63 HA TYR 63 35.036 12.663 -8.602 377 HB2 TYR 63 HB2 TYR 63 33.161 14.070 -8.001 378 HB3 TYR 63 HB1 TYR 63 32.328 12.734 -7.215 379 HD1 TYR 63 HD1 TYR 63 35.375 14.918 -6.927 380 HD2 TYR 63 HD2 TYR 63 32.697 12.285 -4.884 381 HE1 TYR 63 HE1 TYR 63 36.462 15.457 -4.787 382 HE2 TYR 63 HE2 TYR 63 33.775 12.843 -2.747 383 HH TYR 63 HH TYR 63 35.922 15.449 -2.392 384 H GLU 64 HN GLU 64 32.664 10.262 -7.418 385 HA GLU 64 HA GLU 64 34.201 9.449 -5.204 386 HB2 GLU 64 HB2 GLU 64 32.665 7.612 -4.911 387 HB3 GLU 64 HB1 GLU 64 31.759 9.044 -5.372 388 HG2 GLU 64 HG2 GLU 64 31.609 8.154 -7.693 389 HG3 GLU 64 HG1 GLU 64 32.445 6.693 -7.159 390 H GLN 65 HN GLN 65 34.187 8.402 -8.575 391 HA GLN 65 HA GLN 65 35.797 6.087 -8.323 392 HB2 GLN 65 HB2 GLN 65 34.438 6.626 -10.324 393 HB3 GLN 65 HB1 GLN 65 35.499 7.980 -10.698 394 HG2 GLN 65 HG2 GLN 65 37.362 6.438 -11.084 395 HG3 GLN 65 HG1 GLN 65 36.355 5.066 -10.638 396 HE21 GLN 65 HE21 GLN 65 34.675 4.428 -12.068 397 HE22 GLN 65 HE22 GLN 65 34.701 4.862 -13.741 398 H LEU 66 HN LEU 66 36.701 9.519 -8.936 399 HA LEU 66 HA LEU 66 39.500 8.874 -9.258 400 HB2 LEU 66 HB2 LEU 66 39.854 11.340 -9.442 401 HB3 LEU 66 HB1 LEU 66 38.705 10.672 -10.578 402 HG LEU 66 HG LEU 66 36.899 11.544 -8.851 403 HD11 LEU 66 HD11 LEU 66 39.187 13.385 -8.128 404 HD12 LEU 66 HD12 LEU 66 38.387 12.229 -7.058 405 HD13 LEU 66 HD13 LEU 66 37.490 13.608 -7.688 406 HD21 LEU 66 HD21 LEU 66 38.376 13.468 -10.672 407 HD22 LEU 66 HD22 LEU 66 36.732 13.670 -10.058 408 HD23 LEU 66 HD23 LEU 66 37.102 12.344 -11.158 409 H ARG 67 HN ARG 67 37.516 9.865 -6.530 410 HA ARG 67 HA ARG 67 39.846 10.440 -4.868 411 HB2 ARG 67 HB2 ARG 67 38.266 11.008 -3.086 412 HB3 ARG 67 HB1 ARG 67 37.867 11.841 -4.575 413 HG2 ARG 67 HG2 ARG 67 35.763 11.249 -3.897 414 HG3 ARG 67 HG1 ARG 67 36.149 9.842 -4.879 415 HD2 ARG 67 HD2 ARG 67 36.803 8.635 -2.786 416 HD3 ARG 67 HD1 ARG 67 36.296 10.051 -1.856 417 HE ARG 67 HE ARG 67 34.469 8.432 -3.546 418 HH11 ARG 67 HH11 ARG 67 35.025 10.291 -0.598 419 HH12 ARG 67 HH12 ARG 67 33.453 9.950 0.046 420 HH21 ARG 67 HH21 ARG 67 32.406 8.006 -2.664 421 HH22 ARG 67 HH22 ARG 67 31.978 8.669 -1.120 422 H GLN 68 HN GLN 68 37.815 7.716 -5.586 423 HA GLN 68 HA GLN 68 38.108 5.926 -3.535 424 HB2 GLN 68 HB2 GLN 68 37.951 5.689 -6.520 425 HB3 GLN 68 HB1 GLN 68 38.556 4.266 -5.706 426 HG2 GLN 68 HG2 GLN 68 35.923 5.554 -4.971 427 HG3 GLN 68 HG1 GLN 68 36.069 4.329 -6.226 428 HE21 GLN 68 HE21 GLN 68 34.582 4.225 -3.731 429 HE22 GLN 68 HE22 GLN 68 35.196 2.874 -2.862 430 H VAL 69 HN VAL 69 40.441 6.518 -6.149 431 HA VAL 69 HA VAL 69 42.460 5.687 -6.703 432 HB VAL 69 HB VAL 69 43.175 5.922 -3.749 433 HG11 VAL 69 HG11 VAL 69 44.962 4.960 -5.168 434 HG12 VAL 69 HG12 VAL 69 45.419 6.559 -4.576 435 HG13 VAL 69 HG13 VAL 69 44.873 6.361 -6.242 436 HG21 VAL 69 HG21 VAL 69 43.693 8.317 -4.131 437 HG22 VAL 69 HG22 VAL 69 41.976 7.985 -4.373 438 HG23 VAL 69 HG23 VAL 69 43.038 8.201 -5.770 439 H HIS 70 HN HIS 70 40.484 3.815 -6.350 440 HA HIS 70 HA HIS 70 39.921 1.652 -6.167 441 HB2 HIS 70 HB2 HIS 70 42.924 1.121 -6.206 442 HB3 HIS 70 HB1 HIS 70 41.669 -0.060 -6.567 443 HD1 HIS 70 HD1 HIS 70 40.555 0.076 -8.911 444 HD2 HIS 70 HD2 HIS 70 43.461 2.980 -8.280 445 HE1 HIS 70 HE1 HIS 70 41.007 1.083 -11.168 446 HE2 HIS 70 HE2 HIS 70 42.632 2.952 -10.730 447 H THR 71 HN THR 71 39.675 2.938 -3.880 448 HA THR 71 HA THR 71 39.334 2.805 -1.664 449 HB THR 71 HB THR 71 39.872 -0.197 -1.743 450 HG1 THR 71 HG1 THR 71 37.908 1.251 -3.047 451 HG21 THR 71 HG21 THR 71 39.360 0.734 0.490 452 HG22 THR 71 HG22 THR 71 38.029 -0.277 -0.076 453 HG23 THR 71 HG23 THR 71 37.889 1.480 -0.146 454 H ALA 72 HN ALA 72 41.919 3.561 -2.454 455 HA ALA 72 HA ALA 72 43.959 2.223 -0.932 456 HB1 ALA 72 HB1 ALA 72 44.012 4.987 -2.190 457 HB2 ALA 72 HB2 ALA 72 44.505 3.483 -2.971 458 HB3 ALA 72 HB3 ALA 72 45.412 4.095 -1.586 459 H ASN 73 HN ASN 73 42.345 5.410 -0.529 460 HA ASN 73 HA ASN 73 42.665 5.247 2.391 461 HB2 ASN 73 HB2 ASN 73 44.675 6.474 1.542 462 HB3 ASN 73 HB1 ASN 73 43.628 7.638 0.740 463 HD21 ASN 73 HD21 ASN 73 43.139 6.272 4.001 464 HD22 ASN 73 HD22 ASN 73 43.368 7.760 4.839 465 H LEU 74 HN LEU 74 40.469 5.032 2.602 466 HA LEU 74 HA LEU 74 38.773 7.374 1.979 467 HB2 LEU 74 HB2 LEU 74 38.047 4.446 1.525 468 HB3 LEU 74 HB1 LEU 74 36.874 5.758 1.499 469 HG LEU 74 HG LEU 74 39.198 5.452 -0.451 470 HD11 LEU 74 HD11 LEU 74 37.483 4.896 -2.112 471 HD12 LEU 74 HD12 LEU 74 36.234 4.951 -0.866 472 HD13 LEU 74 HD13 LEU 74 37.505 3.725 -0.795 473 HD21 LEU 74 HD21 LEU 74 38.623 7.812 -0.096 474 HD22 LEU 74 HD22 LEU 74 36.922 7.470 -0.426 475 HD23 LEU 74 HD23 LEU 74 38.125 7.288 -1.705 476 HA PRO 75 HA PRO 75 37.329 6.691 6.303 477 HB2 PRO 75 HB2 PRO 75 35.015 8.349 5.313 478 HB3 PRO 75 HB1 PRO 75 36.021 8.572 6.752 479 HG2 PRO 75 HG2 PRO 75 36.316 10.179 4.639 480 HG3 PRO 75 HG1 PRO 75 37.736 9.625 5.552 481 HD2 PRO 75 HD2 PRO 75 36.663 8.603 2.917 482 HD3 PRO 75 HD1 PRO 75 38.345 8.939 3.393 483 H HIS 76 HN HIS 76 36.474 4.697 6.642 484 HA HIS 76 HA HIS 76 34.835 3.396 4.696 485 HB2 HIS 76 HB2 HIS 76 34.690 1.501 6.383 486 HB3 HIS 76 HB1 HIS 76 36.304 1.958 5.871 487 HD1 HIS 76 HD1 HIS 76 33.989 2.617 8.841 488 HD2 HIS 76 HD2 HIS 76 38.026 2.228 7.933 489 HE1 HIS 76 HE1 HIS 76 35.187 2.719 11.047 490 HE2 HIS 76 HE2 HIS 76 37.604 2.298 10.486 491 H VAL 77 HN VAL 77 32.940 4.225 4.327 492 HA VAL 77 HA VAL 77 30.932 4.558 6.490 493 HB VAL 77 HB VAL 77 29.665 5.971 4.845 494 HG11 VAL 77 HG11 VAL 77 31.119 7.062 6.505 495 HG12 VAL 77 HG12 VAL 77 31.130 7.974 4.994 496 HG13 VAL 77 HG13 VAL 77 32.499 6.937 5.409 497 HG21 VAL 77 HG21 VAL 77 30.791 6.796 2.777 498 HG22 VAL 77 HG22 VAL 77 30.546 5.049 2.724 499 HG23 VAL 77 HG23 VAL 77 32.145 5.704 3.084 500 H PHE 78 HN PHE 78 31.794 2.052 5.319 501 HA PHE 78 HA PHE 78 30.040 1.051 3.322 502 HB2 PHE 78 HB2 PHE 78 32.307 0.116 3.822 503 HB3 PHE 78 HB1 PHE 78 31.715 -0.483 5.364 504 HD1 PHE 78 HD1 PHE 78 31.008 -0.737 1.685 505 HD2 PHE 78 HD2 PHE 78 30.968 -2.732 5.470 506 HE1 PHE 78 HE1 PHE 78 30.373 -2.838 0.581 507 HE2 PHE 78 HE2 PHE 78 30.331 -4.831 4.352 508 HZ PHE 78 HZ PHE 78 30.031 -4.884 1.907 509 H ASN 79 HN ASN 79 29.698 1.435 6.755 510 HA ASN 79 HA ASN 79 27.600 -0.375 7.302 511 HB2 ASN 79 HB2 ASN 79 28.265 2.309 8.576 512 HB3 ASN 79 HB1 ASN 79 27.066 1.199 9.221 513 HD21 ASN 79 HD21 ASN 79 27.746 -0.678 10.272 514 HD22 ASN 79 HD22 ASN 79 29.389 -0.947 10.717 515 H GLU 80 HN GLU 80 27.623 2.822 5.867 516 HA GLU 80 HA GLU 80 26.147 4.110 4.766 517 HB2 GLU 80 HB2 GLU 80 24.677 1.479 4.378 518 HB3 GLU 80 HB1 GLU 80 24.313 2.968 3.504 519 HG2 GLU 80 HG2 GLU 80 26.547 2.934 2.477 520 HG3 GLU 80 HG1 GLU 80 26.966 1.476 3.380 521 H GLY 81 HN GLY 81 23.579 4.576 4.548 522 HA2 GLY 81 HA2 GLY 81 21.518 4.974 5.520 523 HA3 GLY 81 HA1 GLY 81 22.015 4.078 6.942 524 H ARG 82 HN ARG 82 23.888 5.255 8.143 525 HA ARG 82 HA ARG 82 23.534 8.168 8.299 526 HB2 ARG 82 HB2 ARG 82 22.022 7.212 9.996 527 HB3 ARG 82 HB1 ARG 82 23.309 6.184 10.614 528 HG2 ARG 82 HG2 ARG 82 24.543 8.254 11.338 529 HG3 ARG 82 HG1 ARG 82 23.149 9.216 10.826 530 HD2 ARG 82 HD2 ARG 82 21.734 8.148 12.483 531 HD3 ARG 82 HD1 ARG 82 22.997 6.976 12.884 532 HE ARG 82 HE ARG 82 22.962 9.847 13.596 533 HH11 ARG 82 HH11 ARG 82 24.489 6.681 13.967 534 HH12 ARG 82 HH12 ARG 82 25.431 7.168 15.337 535 HH21 ARG 82 HH21 ARG 82 24.222 10.460 15.390 536 HH22 ARG 82 HH22 ARG 82 25.264 9.300 16.152 537 H GLY 83 HN GLY 83 25.572 8.499 7.439 538 HA2 GLY 83 HA2 GLY 83 27.961 7.266 8.577 539 HA3 GLY 83 HA1 GLY 83 27.894 8.458 7.284 Start of MODEL 16 1 H1 SER 11 HT1 SER 11 11.182 4.959 -30.455 2 H2 SER 11 HT2 SER 11 11.353 3.797 -29.245 3 H3 SER 11 HT3 SER 11 12.076 5.314 -29.066 4 HA SER 11 HA SER 11 9.927 6.372 -28.974 5 HB2 SER 11 HB2 SER 11 7.881 4.851 -28.832 6 HB3 SER 11 HB1 SER 11 8.667 4.873 -30.410 7 HG SER 11 HG SER 11 8.944 2.814 -30.218 8 H ALA 12 HN ALA 12 10.260 3.130 -27.500 9 HA ALA 12 HA ALA 12 9.663 3.998 -24.841 10 HB1 ALA 12 HB1 ALA 12 10.936 1.395 -25.771 11 HB2 ALA 12 HB2 ALA 12 9.209 1.688 -25.557 12 HB3 ALA 12 HB3 ALA 12 10.285 1.718 -24.162 13 H GLU 13 HN GLU 13 10.984 5.496 -24.051 14 HA GLU 13 HA GLU 13 13.723 5.847 -24.407 15 HB2 GLU 13 HB2 GLU 13 13.655 7.411 -22.540 16 HB3 GLU 13 HB1 GLU 13 12.220 7.599 -23.531 17 HG2 GLU 13 HG2 GLU 13 12.285 6.113 -20.868 18 HG3 GLU 13 HG1 GLU 13 11.797 7.798 -21.070 19 H CYS 14 HN CYS 14 11.993 4.042 -21.893 20 HA CYS 14 HA CYS 14 12.559 2.482 -20.378 21 HB2 CYS 14 HB2 CYS 14 14.844 1.981 -22.323 22 HB3 CYS 14 HB1 CYS 14 14.370 0.880 -21.030 23 HG CYS 14 HG CYS 14 11.784 0.473 -22.087 24 H TRP 15 HN TRP 15 14.793 1.505 -19.215 25 HA TRP 15 HA TRP 15 16.496 1.726 -17.787 26 HB2 TRP 15 HB2 TRP 15 17.050 4.418 -19.113 27 HB3 TRP 15 HB1 TRP 15 18.152 3.567 -18.037 28 HD1 TRP 15 HD1 TRP 15 16.903 3.585 -21.646 29 HE1 TRP 15 HE1 TRP 15 18.347 2.001 -23.053 30 HE3 TRP 15 HE3 TRP 15 19.594 1.355 -17.897 31 HZ2 TRP 15 HZ2 TRP 15 20.341 0.070 -22.659 32 HZ3 TRP 15 HZ3 TRP 15 21.250 -0.363 -18.507 33 HH2 TRP 15 HH2 TRP 15 21.617 -0.992 -20.843 34 H ALA 16 HN ALA 16 17.265 2.894 -15.859 35 HA ALA 16 HA ALA 16 15.097 4.384 -14.515 36 HB1 ALA 16 HB1 ALA 16 15.941 2.362 -13.388 37 HB2 ALA 16 HB2 ALA 16 16.296 3.803 -12.432 38 HB3 ALA 16 HB3 ALA 16 17.576 3.031 -13.376 39 H ALA 17 HN ALA 17 16.620 5.719 -16.498 40 HA ALA 17 HA ALA 17 18.732 7.315 -15.310 41 HB1 ALA 17 HB1 ALA 17 17.439 7.463 -18.064 42 HB2 ALA 17 HB2 ALA 17 18.878 6.533 -17.649 43 HB3 ALA 17 HB3 ALA 17 18.917 8.294 -17.562 44 H LEU 18 HN LEU 18 17.960 8.735 -13.815 45 HA LEU 18 HA LEU 18 16.585 11.073 -14.753 46 HB2 LEU 18 HB2 LEU 18 14.668 11.091 -13.353 47 HB3 LEU 18 HB1 LEU 18 14.668 9.509 -14.100 48 HG LEU 18 HG LEU 18 15.439 10.122 -11.208 49 HD11 LEU 18 HD11 LEU 18 12.991 8.695 -12.290 50 HD12 LEU 18 HD12 LEU 18 13.036 10.329 -11.620 51 HD13 LEU 18 HD13 LEU 18 13.391 8.948 -10.586 52 HD21 LEU 18 HD21 LEU 18 15.551 7.692 -10.835 53 HD22 LEU 18 HD22 LEU 18 16.752 8.207 -12.013 54 HD23 LEU 18 HD23 LEU 18 15.280 7.400 -12.555 55 H LEU 19 HN LEU 19 16.646 12.807 -13.135 56 HA LEU 19 HA LEU 19 18.490 12.393 -10.876 57 HB2 LEU 19 HB2 LEU 19 19.474 14.722 -11.445 58 HB3 LEU 19 HB1 LEU 19 19.989 13.347 -12.400 59 HG LEU 19 HG LEU 19 18.409 14.077 -14.231 60 HD11 LEU 19 HD11 LEU 19 16.819 15.422 -12.975 61 HD12 LEU 19 HD12 LEU 19 17.543 16.363 -14.276 62 HD13 LEU 19 HD13 LEU 19 18.076 16.609 -12.610 63 HD21 LEU 19 HD21 LEU 19 20.801 14.588 -14.355 64 HD22 LEU 19 HD22 LEU 19 20.548 16.098 -13.475 65 HD23 LEU 19 HD23 LEU 19 19.846 15.880 -15.081 66 H HIS 20 HN HIS 20 18.402 14.256 -9.315 67 HA HIS 20 HA HIS 20 15.592 14.829 -8.755 68 HB2 HIS 20 HB2 HIS 20 18.083 15.170 -7.032 69 HB3 HIS 20 HB1 HIS 20 16.437 15.489 -6.485 70 HD1 HIS 20 HD1 HIS 20 18.502 13.223 -5.416 71 HD2 HIS 20 HD2 HIS 20 15.156 12.655 -7.817 72 HE1 HIS 20 HE1 HIS 20 17.824 10.827 -5.070 73 HE2 HIS 20 HE2 HIS 20 15.750 10.534 -6.464 74 H ASP 21 HN ASP 21 15.188 16.364 -10.306 75 HA ASP 21 HA ASP 21 15.728 19.106 -9.539 76 HB2 ASP 21 HB2 ASP 21 17.646 18.468 -11.115 77 HB3 ASP 21 HB1 ASP 21 16.455 18.211 -12.384 78 HA PRO 22 HA PRO 22 11.395 19.166 -10.819 79 HB2 PRO 22 HB2 PRO 22 11.088 21.897 -11.294 80 HB3 PRO 22 HB1 PRO 22 11.043 21.159 -9.688 81 HG2 PRO 22 HG2 PRO 22 13.357 22.489 -11.101 82 HG3 PRO 22 HG1 PRO 22 12.804 22.696 -9.422 83 HD2 PRO 22 HD2 PRO 22 14.905 21.134 -9.960 84 HD3 PRO 22 HD1 PRO 22 13.715 20.626 -8.738 85 H MET 23 HN MET 23 13.733 21.019 -12.812 86 HA MET 23 HA MET 23 12.028 20.762 -15.206 87 HB2 MET 23 HB2 MET 23 14.560 22.392 -14.725 88 HB3 MET 23 HB1 MET 23 13.630 22.391 -16.220 89 HG2 MET 23 HG2 MET 23 11.707 23.364 -15.022 90 HG3 MET 23 HG1 MET 23 12.636 23.343 -13.518 91 HE1 MET 23 HE1 MET 23 12.490 27.196 -14.468 92 HE2 MET 23 HE2 MET 23 12.077 25.994 -13.246 93 HE3 MET 23 HE3 MET 23 11.220 26.015 -14.789 94 H THR 24 HN THR 24 15.585 20.750 -14.940 95 HA THR 24 HA THR 24 15.984 18.035 -15.782 96 HB THR 24 HB THR 24 16.726 20.174 -17.859 97 HG1 THR 24 HG1 THR 24 14.556 19.873 -18.091 98 HG21 THR 24 HG21 THR 24 18.290 18.257 -17.829 99 HG22 THR 24 HG22 THR 24 17.320 18.250 -19.303 100 HG23 THR 24 HG23 THR 24 16.929 17.139 -17.989 101 H LEU 25 HN LEU 25 17.215 21.338 -15.472 102 HA LEU 25 HA LEU 25 19.522 20.500 -13.947 103 HB2 LEU 25 HB2 LEU 25 20.384 20.213 -16.234 104 HB3 LEU 25 HB1 LEU 25 19.856 21.830 -16.667 105 HG LEU 25 HG LEU 25 21.513 22.777 -15.026 106 HD11 LEU 25 HD11 LEU 25 22.508 19.928 -14.755 107 HD12 LEU 25 HD12 LEU 25 21.709 20.876 -13.499 108 HD13 LEU 25 HD13 LEU 25 23.287 21.373 -14.104 109 HD21 LEU 25 HD21 LEU 25 23.515 22.383 -16.395 110 HD22 LEU 25 HD22 LEU 25 22.091 22.654 -17.397 111 HD23 LEU 25 HD23 LEU 25 22.720 21.017 -17.184 112 H ASP 26 HN ASP 26 19.795 21.943 -12.397 113 HA ASP 26 HA ASP 26 19.598 24.843 -12.982 114 HB2 ASP 26 HB2 ASP 26 17.777 23.988 -11.382 115 HB3 ASP 26 HB1 ASP 26 19.049 23.534 -10.262 116 H MET 27 HN MET 27 21.768 25.156 -13.381 117 HA MET 27 HA MET 27 23.888 23.594 -12.547 118 HB2 MET 27 HB2 MET 27 23.871 26.476 -13.499 119 HB3 MET 27 HB1 MET 27 25.356 25.573 -13.227 120 HG2 MET 27 HG2 MET 27 24.595 23.898 -14.920 121 HG3 MET 27 HG1 MET 27 23.204 24.938 -15.257 122 HE1 MET 27 HE1 MET 27 24.013 24.926 -17.896 123 HE2 MET 27 HE2 MET 27 25.412 23.944 -17.456 124 HE3 MET 27 HE3 MET 27 25.632 25.426 -18.388 125 H ASP 28 HN ASP 28 22.523 26.416 -10.916 126 HA ASP 28 HA ASP 28 24.665 26.832 -9.047 127 HB2 ASP 28 HB2 ASP 28 23.069 28.633 -9.623 128 HB3 ASP 28 HB1 ASP 28 21.737 27.694 -8.954 129 H ALA 29 HN ALA 29 21.530 25.171 -8.929 130 HA ALA 29 HA ALA 29 21.643 24.344 -6.201 131 HB1 ALA 29 HB1 ALA 29 19.750 22.877 -6.763 132 HB2 ALA 29 HB2 ALA 29 20.025 23.160 -8.487 133 HB3 ALA 29 HB3 ALA 29 19.525 24.491 -7.444 134 H VAL 30 HN VAL 30 22.598 22.846 -9.231 135 HA VAL 30 HA VAL 30 23.184 20.237 -8.244 136 HB VAL 30 HB VAL 30 23.948 21.641 -10.843 137 HG11 VAL 30 HG11 VAL 30 25.623 19.881 -10.425 138 HG12 VAL 30 HG12 VAL 30 24.558 19.411 -11.751 139 HG13 VAL 30 HG13 VAL 30 24.339 18.702 -10.151 140 HG21 VAL 30 HG21 VAL 30 21.537 21.256 -10.583 141 HG22 VAL 30 HG22 VAL 30 21.822 19.549 -10.231 142 HG23 VAL 30 HG23 VAL 30 22.190 20.192 -11.830 143 H LEU 31 HN LEU 31 25.110 23.143 -8.867 144 HA LEU 31 HA LEU 31 27.667 22.121 -8.233 145 HB2 LEU 31 HB2 LEU 31 27.326 24.264 -9.405 146 HB3 LEU 31 HB1 LEU 31 26.573 24.951 -7.977 147 HG LEU 31 HG LEU 31 28.755 24.809 -6.755 148 HD11 LEU 31 HD11 LEU 31 29.749 22.885 -7.865 149 HD12 LEU 31 HD12 LEU 31 30.826 24.273 -7.992 150 HD13 LEU 31 HD13 LEU 31 29.863 23.774 -9.386 151 HD21 LEU 31 HD21 LEU 31 28.965 26.270 -9.416 152 HD22 LEU 31 HD22 LEU 31 29.913 26.606 -7.964 153 HD23 LEU 31 HD23 LEU 31 28.173 26.884 -7.962 154 H SER 32 HN SER 32 25.228 23.804 -6.268 155 HA SER 32 HA SER 32 26.723 23.882 -3.854 156 HB2 SER 32 HB2 SER 32 24.848 25.432 -4.334 157 HB3 SER 32 HB1 SER 32 23.706 24.092 -4.256 158 HG SER 32 HG SER 32 23.888 25.340 -2.306 159 H ASP 33 HN ASP 33 24.362 21.601 -5.181 160 HA ASP 33 HA ASP 33 23.973 20.069 -2.785 161 HB2 ASP 33 HB2 ASP 33 22.239 20.127 -4.605 162 HB3 ASP 33 HB1 ASP 33 23.337 19.252 -5.664 163 H PHE 34 HN PHE 34 25.938 19.702 -5.735 164 HA PHE 34 HA PHE 34 27.093 17.203 -5.247 165 HB2 PHE 34 HB2 PHE 34 27.350 18.410 -7.397 166 HB3 PHE 34 HB1 PHE 34 28.361 19.622 -6.622 167 HD1 PHE 34 HD2 PHE 34 30.677 19.043 -5.906 168 HD2 PHE 34 HD1 PHE 34 28.242 16.216 -7.990 169 HE1 PHE 34 HE2 PHE 34 32.662 17.673 -6.368 170 HE2 PHE 34 HE1 PHE 34 30.235 14.858 -8.428 171 HZ PHE 34 HZ PHE 34 32.436 15.588 -7.625 172 H VAL 35 HN VAL 35 28.325 20.440 -4.425 173 HA VAL 35 HA VAL 35 30.606 19.744 -2.965 174 HB VAL 35 HB VAL 35 28.810 22.201 -2.859 175 HG11 VAL 35 HG11 VAL 35 31.522 21.914 -1.515 176 HG12 VAL 35 HG12 VAL 35 29.974 22.130 -0.697 177 HG13 VAL 35 HG13 VAL 35 30.629 23.425 -1.702 178 HG21 VAL 35 HG21 VAL 35 31.526 21.748 -4.154 179 HG22 VAL 35 HG22 VAL 35 30.597 23.252 -4.207 180 HG23 VAL 35 HG23 VAL 35 29.977 21.799 -4.999 181 H ARG 36 HN ARG 36 27.257 20.058 -1.952 182 HA ARG 36 HA ARG 36 27.680 19.870 0.878 183 HB2 ARG 36 HB2 ARG 36 25.735 21.017 -0.148 184 HB3 ARG 36 HB1 ARG 36 25.168 19.484 -0.801 185 HG2 ARG 36 HG2 ARG 36 24.800 18.645 1.504 186 HG3 ARG 36 HG1 ARG 36 25.369 20.188 2.149 187 HD2 ARG 36 HD2 ARG 36 23.505 21.356 1.070 188 HD3 ARG 36 HD1 ARG 36 22.969 19.848 0.320 189 HE ARG 36 HE ARG 36 23.034 19.515 3.120 190 HH11 ARG 36 HH11 ARG 36 21.182 21.273 0.704 191 HH12 ARG 36 HH12 ARG 36 19.719 21.239 1.631 192 HH21 ARG 36 HH21 ARG 36 21.117 19.491 4.327 193 HH22 ARG 36 HH22 ARG 36 19.683 20.230 3.689 194 H SER 37 HN SER 37 27.035 17.531 -1.694 195 HA SER 37 HA SER 37 26.379 15.359 0.149 196 HB2 SER 37 HB2 SER 37 26.569 15.418 -2.900 197 HB3 SER 37 HB1 SER 37 26.048 14.017 -1.957 198 HG SER 37 HG SER 37 24.690 16.335 -2.596 199 H THR 38 HN THR 38 29.090 16.342 -1.889 200 HA THR 38 HA THR 38 30.517 13.799 -1.521 201 HB THR 38 HB THR 38 32.072 14.626 -3.261 202 HG1 THR 38 HG1 THR 38 30.632 16.787 -4.070 203 HG21 THR 38 HG21 THR 38 29.164 14.958 -4.096 204 HG22 THR 38 HG22 THR 38 30.049 13.430 -4.022 205 HG23 THR 38 HG23 THR 38 30.529 14.669 -5.180 206 H GLY 39 HN GLY 39 30.596 17.157 -0.554 207 HA2 GLY 39 HA2 GLY 39 31.887 18.221 1.051 208 HA3 GLY 39 HA1 GLY 39 32.841 16.758 1.259 209 H ALA 40 HN ALA 40 32.588 17.544 -2.021 210 HA ALA 40 HA ALA 40 35.357 18.322 -2.263 211 HB1 ALA 40 HB1 ALA 40 34.271 16.895 -3.968 212 HB2 ALA 40 HB2 ALA 40 34.892 18.380 -4.690 213 HB3 ALA 40 HB3 ALA 40 33.161 18.206 -4.377 214 H GLU 41 HN GLU 41 36.078 20.323 -3.274 215 HA GLU 41 HA GLU 41 34.754 22.631 -2.128 216 HB2 GLU 41 HB2 GLU 41 36.758 23.805 -2.586 217 HB3 GLU 41 HB1 GLU 41 37.312 22.160 -2.288 218 HG2 GLU 41 HG2 GLU 41 37.370 21.808 -4.780 219 HG3 GLU 41 HG1 GLU 41 36.978 23.526 -4.973 220 HA PRO 42 HA PRO 42 32.268 24.009 -5.554 221 HB2 PRO 42 HB2 PRO 42 32.796 26.720 -5.816 222 HB3 PRO 42 HB1 PRO 42 31.847 26.032 -4.486 223 HG2 PRO 42 HG2 PRO 42 34.803 26.697 -4.547 224 HG3 PRO 42 HG1 PRO 42 33.596 27.160 -3.337 225 HD2 PRO 42 HD2 PRO 42 35.194 25.112 -2.846 226 HD3 PRO 42 HD1 PRO 42 33.464 24.970 -2.440 227 H GLY 43 HN GLY 43 35.680 24.919 -5.841 228 HA2 GLY 43 HA2 GLY 43 35.713 25.516 -8.636 229 HA3 GLY 43 HA1 GLY 43 37.108 25.180 -7.618 230 H LEU 44 HN LEU 44 36.721 22.676 -6.759 231 HA LEU 44 HA LEU 44 37.454 20.968 -8.890 232 HB2 LEU 44 HB2 LEU 44 38.079 20.560 -6.513 233 HB3 LEU 44 HB1 LEU 44 36.396 20.254 -6.120 234 HG LEU 44 HG LEU 44 36.480 18.267 -7.735 235 HD11 LEU 44 HD11 LEU 44 39.470 18.761 -7.658 236 HD12 LEU 44 HD12 LEU 44 38.418 18.917 -9.068 237 HD13 LEU 44 HD13 LEU 44 38.669 17.338 -8.331 238 HD21 LEU 44 HD21 LEU 44 36.573 17.944 -5.306 239 HD22 LEU 44 HD22 LEU 44 38.329 18.130 -5.331 240 HD23 LEU 44 HD23 LEU 44 37.572 16.757 -6.143 241 H ALA 45 HN ALA 45 34.454 21.479 -7.150 242 HA ALA 45 HA ALA 45 32.846 19.430 -8.140 243 HB1 ALA 45 HB1 ALA 45 30.950 20.816 -7.367 244 HB2 ALA 45 HB2 ALA 45 32.029 22.205 -7.201 245 HB3 ALA 45 HB3 ALA 45 32.253 20.785 -6.176 246 H ARG 46 HN ARG 46 32.917 22.842 -9.102 247 HA ARG 46 HA ARG 46 31.243 22.779 -11.324 248 HB2 ARG 46 HB2 ARG 46 31.721 24.900 -10.419 249 HB3 ARG 46 HB1 ARG 46 33.451 24.629 -10.390 250 HG2 ARG 46 HG2 ARG 46 32.135 24.805 -13.089 251 HG3 ARG 46 HG1 ARG 46 32.258 26.294 -12.149 252 HD2 ARG 46 HD2 ARG 46 34.699 26.011 -11.985 253 HD3 ARG 46 HD1 ARG 46 34.597 24.479 -12.874 254 HE ARG 46 HE ARG 46 33.427 26.242 -14.552 255 HH11 ARG 46 HH11 ARG 46 36.563 26.330 -12.975 256 HH12 ARG 46 HH12 ARG 46 37.314 27.193 -14.277 257 HH21 ARG 46 HH21 ARG 46 34.404 27.313 -16.234 258 HH22 ARG 46 HH22 ARG 46 36.074 27.771 -16.135 259 H ASP 47 HN ASP 47 34.731 22.214 -11.107 260 HA ASP 47 HA ASP 47 35.391 22.039 -13.833 261 HB2 ASP 47 HB2 ASP 47 37.144 22.162 -12.175 262 HB3 ASP 47 HB1 ASP 47 36.578 20.707 -11.366 263 H LEU 48 HN LEU 48 34.336 19.472 -11.572 264 HA LEU 48 HA LEU 48 34.544 17.317 -13.464 265 HB2 LEU 48 HB2 LEU 48 32.864 17.318 -10.914 266 HB3 LEU 48 HB1 LEU 48 33.418 15.900 -11.819 267 HG LEU 48 HG LEU 48 35.176 17.828 -10.226 268 HD11 LEU 48 HD11 LEU 48 35.559 15.943 -8.709 269 HD12 LEU 48 HD12 LEU 48 34.433 14.949 -9.638 270 HD13 LEU 48 HD13 LEU 48 33.853 16.379 -8.780 271 HD21 LEU 48 HD21 LEU 48 37.045 16.310 -10.700 272 HD22 LEU 48 HD22 LEU 48 36.400 17.008 -12.184 273 HD23 LEU 48 HD23 LEU 48 36.008 15.339 -11.750 274 H LEU 49 HN LEU 49 31.963 19.393 -12.327 275 HA LEU 49 HA LEU 49 29.741 18.126 -13.475 276 HB2 LEU 49 HB2 LEU 49 30.234 20.985 -12.599 277 HB3 LEU 49 HB1 LEU 49 28.687 20.484 -13.270 278 HG LEU 49 HG LEU 49 29.924 19.161 -10.814 279 HD11 LEU 49 HD11 LEU 49 29.491 21.513 -10.292 280 HD12 LEU 49 HD12 LEU 49 28.387 20.449 -9.424 281 HD13 LEU 49 HD13 LEU 49 27.820 21.342 -10.838 282 HD21 LEU 49 HD21 LEU 49 27.652 18.271 -10.463 283 HD22 LEU 49 HD22 LEU 49 28.313 17.757 -12.012 284 HD23 LEU 49 HD23 LEU 49 27.106 19.045 -11.954 285 H GLU 50 HN GLU 50 31.694 20.882 -14.717 286 HA GLU 50 HA GLU 50 30.363 21.243 -17.163 287 HB2 GLU 50 HB2 GLU 50 33.284 21.761 -16.486 288 HB3 GLU 50 HB1 GLU 50 32.493 22.329 -17.953 289 HG2 GLU 50 HG2 GLU 50 30.900 23.627 -16.531 290 HG3 GLU 50 HG1 GLU 50 31.815 23.127 -15.112 291 H GLY 51 HN GLY 51 32.944 19.012 -16.262 292 HA2 GLY 51 HA2 GLY 51 33.526 17.968 -18.852 293 HA3 GLY 51 HA1 GLY 51 33.913 17.216 -17.308 294 H LYS 52 HN LYS 52 30.958 17.336 -16.579 295 HA LYS 52 HA LYS 52 30.126 14.859 -17.970 296 HB2 LYS 52 HB2 LYS 52 29.384 15.916 -15.197 297 HB3 LYS 52 HB1 LYS 52 28.760 14.425 -15.907 298 HG2 LYS 52 HG2 LYS 52 31.649 15.017 -15.190 299 HG3 LYS 52 HG1 LYS 52 30.553 13.926 -14.332 300 HD2 LYS 52 HD2 LYS 52 30.476 12.433 -16.293 301 HD3 LYS 52 HD1 LYS 52 31.491 13.552 -17.212 302 HE2 LYS 52 HE2 LYS 52 32.304 12.012 -14.736 303 HE3 LYS 52 HE1 LYS 52 32.821 11.693 -16.381 304 HZ1 LYS 52 HZ1 LYS 52 33.862 13.882 -16.409 305 HZ2 LYS 52 HZ2 LYS 52 34.513 12.888 -15.207 306 HZ3 LYS 52 HZ3 LYS 52 33.426 14.117 -14.799 307 H ASN 53 HN ASN 53 29.552 17.823 -18.721 308 HA ASN 53 HA ASN 53 27.882 19.020 -19.725 309 HB2 ASN 53 HB2 ASN 53 27.516 16.916 -20.986 310 HB3 ASN 53 HB1 ASN 53 26.479 16.297 -19.717 311 HD21 ASN 53 HD21 ASN 53 24.335 16.876 -19.697 312 HD22 ASN 53 HD22 ASN 53 23.576 17.817 -20.929 313 H TRP 54 HN TRP 54 28.127 18.975 -16.949 314 HA TRP 54 HA TRP 54 27.329 19.510 -14.932 315 HB2 TRP 54 HB2 TRP 54 25.410 20.957 -16.746 316 HB3 TRP 54 HB1 TRP 54 25.187 21.040 -15.004 317 HD1 TRP 54 HD1 TRP 54 27.687 22.099 -17.737 318 HE1 TRP 54 HE1 TRP 54 29.165 23.961 -16.774 319 HE3 TRP 54 HE3 TRP 54 26.103 21.976 -12.886 320 HZ2 TRP 54 HZ2 TRP 54 29.611 25.235 -14.293 321 HZ3 TRP 54 HZ3 TRP 54 27.085 23.543 -11.269 322 HH2 TRP 54 HH2 TRP 54 28.817 25.145 -11.959 323 H ASP 55 HN ASP 55 26.287 16.978 -16.228 324 HA ASP 55 HA ASP 55 23.770 16.469 -14.935 325 HB2 ASP 55 HB2 ASP 55 24.458 15.247 -17.005 326 HB3 ASP 55 HB1 ASP 55 25.783 14.495 -16.117 327 H LEU 56 HN LEU 56 23.631 16.357 -12.826 328 HA LEU 56 HA LEU 56 25.648 16.287 -10.935 329 HB2 LEU 56 HB2 LEU 56 23.344 17.031 -10.454 330 HB3 LEU 56 HB1 LEU 56 22.756 15.389 -10.649 331 HG LEU 56 HG LEU 56 24.142 14.710 -8.637 332 HD11 LEU 56 HD11 LEU 56 24.593 17.702 -8.290 333 HD12 LEU 56 HD12 LEU 56 25.828 16.492 -8.653 334 HD13 LEU 56 HD13 LEU 56 24.987 16.450 -7.108 335 HD21 LEU 56 HD21 LEU 56 21.746 15.129 -8.417 336 HD22 LEU 56 HD22 LEU 56 22.044 16.850 -8.148 337 HD23 LEU 56 HD23 LEU 56 22.599 15.660 -6.967 338 H THR 57 HN THR 57 23.737 13.599 -12.233 339 HA THR 57 HA THR 57 24.418 11.622 -10.352 340 HB THR 57 HB THR 57 23.585 11.055 -13.238 341 HG1 THR 57 HG1 THR 57 21.845 12.188 -12.839 342 HG21 THR 57 HG21 THR 57 22.336 9.185 -12.207 343 HG22 THR 57 HG22 THR 57 22.928 9.661 -10.613 344 HG23 THR 57 HG23 THR 57 24.059 9.072 -11.836 345 H ALA 58 HN ALA 58 25.764 12.376 -13.543 346 HA ALA 58 HA ALA 58 27.657 10.228 -13.675 347 HB1 ALA 58 HB1 ALA 58 27.547 12.814 -15.267 348 HB2 ALA 58 HB2 ALA 58 26.750 11.299 -15.701 349 HB3 ALA 58 HB3 ALA 58 28.513 11.390 -15.670 350 H ALA 59 HN ALA 59 27.733 13.549 -12.533 351 HA ALA 59 HA ALA 59 30.581 13.776 -12.229 352 HB1 ALA 59 HB1 ALA 59 30.079 15.845 -11.005 353 HB2 ALA 59 HB2 ALA 59 28.365 15.416 -10.964 354 HB3 ALA 59 HB3 ALA 59 29.152 15.755 -12.506 355 H LEU 60 HN LEU 60 27.906 12.821 -10.079 356 HA LEU 60 HA LEU 60 29.348 12.608 -7.633 357 HB2 LEU 60 HB2 LEU 60 26.844 11.163 -8.603 358 HB3 LEU 60 HB1 LEU 60 27.463 11.020 -6.963 359 HG LEU 60 HG LEU 60 26.447 13.602 -8.235 360 HD11 LEU 60 HD11 LEU 60 24.616 12.030 -7.851 361 HD12 LEU 60 HD12 LEU 60 24.513 13.388 -6.734 362 HD13 LEU 60 HD13 LEU 60 25.108 11.823 -6.167 363 HD21 LEU 60 HD21 LEU 60 28.186 14.056 -6.567 364 HD22 LEU 60 HD22 LEU 60 27.325 13.087 -5.370 365 HD23 LEU 60 HD23 LEU 60 26.608 14.579 -5.982 366 H SER 61 HN SER 61 28.681 10.351 -10.288 367 HA SER 61 HA SER 61 29.993 8.084 -9.110 368 HB2 SER 61 HB2 SER 61 28.153 7.913 -10.820 369 HB3 SER 61 HB1 SER 61 29.282 8.492 -12.045 370 HG SER 61 HG SER 61 30.011 6.300 -10.440 371 H ASP 62 HN ASP 62 30.996 10.732 -11.165 372 HA ASP 62 HA ASP 62 33.555 9.744 -11.957 373 HB2 ASP 62 HB2 ASP 62 32.447 11.662 -13.086 374 HB3 ASP 62 HB1 ASP 62 32.583 12.618 -11.612 375 H TYR 63 HN TYR 63 32.434 11.845 -9.331 376 HA TYR 63 HA TYR 63 34.823 12.368 -8.029 377 HB2 TYR 63 HB2 TYR 63 32.755 13.587 -7.502 378 HB3 TYR 63 HB1 TYR 63 32.029 12.129 -6.830 379 HD1 TYR 63 HD2 TYR 63 34.816 14.589 -6.327 380 HD2 TYR 63 HD1 TYR 63 32.440 11.515 -4.523 381 HE1 TYR 63 HE2 TYR 63 35.794 15.107 -4.126 382 HE2 TYR 63 HE1 TYR 63 33.434 12.029 -2.340 383 HH TYR 63 HH TYR 63 35.237 14.846 -1.742 384 H GLU 64 HN GLU 64 32.478 9.707 -7.388 385 HA GLU 64 HA GLU 64 33.888 8.560 -5.217 386 HB2 GLU 64 HB2 GLU 64 32.415 6.649 -5.354 387 HB3 GLU 64 HB1 GLU 64 31.455 8.069 -5.754 388 HG2 GLU 64 HG2 GLU 64 31.590 7.523 -8.136 389 HG3 GLU 64 HG1 GLU 64 32.624 6.145 -7.790 390 H GLN 65 HN GLN 65 34.160 8.135 -8.690 391 HA GLN 65 HA GLN 65 35.862 5.853 -8.719 392 HB2 GLN 65 HB2 GLN 65 34.441 6.618 -10.636 393 HB3 GLN 65 HB1 GLN 65 35.479 8.021 -10.838 394 HG2 GLN 65 HG2 GLN 65 36.551 5.197 -11.064 395 HG3 GLN 65 HG1 GLN 65 35.784 5.998 -12.427 396 HE21 GLN 65 HE21 GLN 65 36.921 8.640 -11.775 397 HE22 GLN 65 HE22 GLN 65 38.588 8.549 -12.209 398 H LEU 66 HN LEU 66 36.520 9.398 -8.813 399 HA LEU 66 HA LEU 66 39.363 8.957 -9.154 400 HB2 LEU 66 HB2 LEU 66 39.611 11.420 -9.088 401 HB3 LEU 66 HB1 LEU 66 38.443 10.862 -10.264 402 HG LEU 66 HG LEU 66 36.647 11.510 -8.474 403 HD11 LEU 66 HD11 LEU 66 38.922 13.203 -7.406 404 HD12 LEU 66 HD12 LEU 66 38.069 11.916 -6.548 405 HD13 LEU 66 HD13 LEU 66 37.211 13.386 -6.997 406 HD21 LEU 66 HD21 LEU 66 38.176 13.660 -9.971 407 HD22 LEU 66 HD22 LEU 66 36.533 13.812 -9.338 408 HD23 LEU 66 HD23 LEU 66 36.877 12.648 -10.614 409 H ARG 67 HN ARG 67 37.247 9.523 -6.395 410 HA ARG 67 HA ARG 67 39.501 10.005 -4.584 411 HB2 ARG 67 HB2 ARG 67 37.899 10.353 -2.828 412 HB3 ARG 67 HB1 ARG 67 37.333 11.216 -4.245 413 HG2 ARG 67 HG2 ARG 67 35.352 10.126 -4.229 414 HG3 ARG 67 HG1 ARG 67 36.139 8.551 -4.203 415 HD2 ARG 67 HD2 ARG 67 34.618 8.916 -2.258 416 HD3 ARG 67 HD1 ARG 67 36.290 8.610 -1.767 417 HE ARG 67 HE ARG 67 35.751 11.406 -2.026 418 HH11 ARG 67 HH11 ARG 67 35.353 8.723 0.199 419 HH12 ARG 67 HH12 ARG 67 35.268 9.756 1.585 420 HH21 ARG 67 HH21 ARG 67 35.653 12.716 -0.223 421 HH22 ARG 67 HH22 ARG 67 35.450 12.016 1.351 422 H GLN 68 HN GLN 68 38.123 7.335 -5.994 423 HA GLN 68 HA GLN 68 38.133 5.394 -3.941 424 HB2 GLN 68 HB2 GLN 68 37.088 5.180 -6.208 425 HB3 GLN 68 HB1 GLN 68 38.689 5.097 -6.931 426 HG2 GLN 68 HG2 GLN 68 39.103 2.951 -5.883 427 HG3 GLN 68 HG1 GLN 68 37.594 3.060 -4.975 428 HE21 GLN 68 HE21 GLN 68 35.602 2.916 -6.122 429 HE22 GLN 68 HE22 GLN 68 35.509 2.149 -7.663 430 H VAL 69 HN VAL 69 40.557 5.961 -6.507 431 HA VAL 69 HA VAL 69 42.764 5.637 -6.739 432 HB VAL 69 HB VAL 69 42.971 6.496 -3.823 433 HG11 VAL 69 HG11 VAL 69 44.995 6.745 -6.094 434 HG12 VAL 69 HG12 VAL 69 45.109 5.636 -4.725 435 HG13 VAL 69 HG13 VAL 69 45.202 7.376 -4.456 436 HG21 VAL 69 HG21 VAL 69 41.578 8.102 -5.075 437 HG22 VAL 69 HG22 VAL 69 42.837 8.259 -6.304 438 HG23 VAL 69 HG23 VAL 69 43.137 8.815 -4.656 439 H HIS 70 HN HIS 70 43.351 3.606 -7.109 440 HA HIS 70 HA HIS 70 42.782 1.426 -5.330 441 HB2 HIS 70 HB2 HIS 70 44.331 1.440 -7.956 442 HB3 HIS 70 HB1 HIS 70 43.780 -0.001 -7.107 443 HD1 HIS 70 HD1 HIS 70 41.889 -0.951 -8.382 444 HD2 HIS 70 HD2 HIS 70 41.726 3.195 -8.300 445 HE1 HIS 70 HE1 HIS 70 39.792 -0.338 -9.616 446 HE2 HIS 70 HE2 HIS 70 39.622 2.161 -9.381 447 H THR 71 HN THR 71 45.571 3.440 -5.853 448 HA THR 71 HA THR 71 47.466 1.554 -4.644 449 HB THR 71 HB THR 71 48.073 2.939 -6.685 450 HG1 THR 71 HG1 THR 71 49.710 3.320 -4.375 451 HG21 THR 71 HG21 THR 71 47.059 5.111 -6.013 452 HG22 THR 71 HG22 THR 71 48.774 5.280 -6.387 453 HG23 THR 71 HG23 THR 71 48.241 5.252 -4.706 454 H ALA 72 HN ALA 72 45.206 3.596 -3.416 455 HA ALA 72 HA ALA 72 46.808 4.389 -1.042 456 HB1 ALA 72 HB1 ALA 72 45.027 6.029 -0.577 457 HB2 ALA 72 HB2 ALA 72 44.131 5.486 -2.001 458 HB3 ALA 72 HB3 ALA 72 45.700 6.271 -2.190 459 H ASN 73 HN ASN 73 45.687 4.220 1.059 460 HA ASN 73 HA ASN 73 44.022 1.779 1.297 461 HB2 ASN 73 HB2 ASN 73 45.810 3.267 3.272 462 HB3 ASN 73 HB1 ASN 73 44.645 2.070 3.820 463 HD21 ASN 73 HD21 ASN 73 44.937 -0.120 3.228 464 HD22 ASN 73 HD22 ASN 73 46.477 -0.712 2.722 465 H LEU 74 HN LEU 74 42.757 4.077 0.304 466 HA LEU 74 HA LEU 74 41.345 5.532 2.319 467 HB2 LEU 74 HB2 LEU 74 40.920 5.189 -0.678 468 HB3 LEU 74 HB1 LEU 74 39.894 6.225 0.309 469 HG LEU 74 HG LEU 74 42.909 6.590 -0.013 470 HD11 LEU 74 HD11 LEU 74 40.661 8.169 -1.304 471 HD12 LEU 74 HD12 LEU 74 41.764 7.061 -2.123 472 HD13 LEU 74 HD13 LEU 74 42.386 8.542 -1.404 473 HD21 LEU 74 HD21 LEU 74 42.548 8.772 1.105 474 HD22 LEU 74 HD22 LEU 74 42.117 7.422 2.149 475 HD23 LEU 74 HD23 LEU 74 40.849 8.362 1.360 476 HA PRO 75 HA PRO 75 38.141 2.436 3.122 477 HB2 PRO 75 HB2 PRO 75 36.495 3.871 4.710 478 HB3 PRO 75 HB1 PRO 75 38.143 3.479 5.227 479 HG2 PRO 75 HG2 PRO 75 37.073 6.050 4.070 480 HG3 PRO 75 HG1 PRO 75 38.177 5.822 5.443 481 HD2 PRO 75 HD2 PRO 75 38.999 6.451 2.861 482 HD3 PRO 75 HD1 PRO 75 40.032 5.651 4.063 483 H HIS 76 HN HIS 76 37.927 3.315 0.532 484 HA HIS 76 HA HIS 76 35.394 4.525 -0.089 485 HB2 HIS 76 HB2 HIS 76 35.992 4.005 -2.483 486 HB3 HIS 76 HB1 HIS 76 37.245 4.896 -1.633 487 HD1 HIS 76 HD1 HIS 76 36.512 1.537 -3.146 488 HD2 HIS 76 HD2 HIS 76 39.691 3.539 -1.378 489 HE1 HIS 76 HE1 HIS 76 38.541 0.138 -3.636 490 HE2 HIS 76 HE2 HIS 76 40.450 1.363 -2.537 491 H VAL 77 HN VAL 77 33.964 3.234 1.063 492 HA VAL 77 HA VAL 77 33.455 0.466 0.122 493 HB VAL 77 HB VAL 77 32.031 0.218 2.159 494 HG11 VAL 77 HG11 VAL 77 34.855 1.202 2.761 495 HG12 VAL 77 HG12 VAL 77 34.399 -0.434 2.277 496 HG13 VAL 77 HG13 VAL 77 33.869 0.200 3.834 497 HG21 VAL 77 HG21 VAL 77 32.050 1.967 3.950 498 HG22 VAL 77 HG22 VAL 77 31.293 2.553 2.468 499 HG23 VAL 77 HG23 VAL 77 32.938 3.048 2.868 500 H PHE 78 HN PHE 78 31.298 -0.149 -0.415 501 HA PHE 78 HA PHE 78 29.262 1.888 -0.904 502 HB2 PHE 78 HB2 PHE 78 30.788 1.904 -2.951 503 HB3 PHE 78 HB1 PHE 78 30.327 0.236 -3.256 504 HD1 PHE 78 HD2 PHE 78 28.024 -0.297 -4.061 505 HD2 PHE 78 HD1 PHE 78 29.246 3.751 -3.395 506 HE1 PHE 78 HE2 PHE 78 26.070 0.506 -5.322 507 HE2 PHE 78 HE1 PHE 78 27.288 4.545 -4.655 508 HZ PHE 78 HZ PHE 78 25.698 2.925 -5.620 509 H ASN 79 HN ASN 79 30.284 -1.493 -1.247 510 HA ASN 79 HA ASN 79 27.635 -2.605 -1.368 511 HB2 ASN 79 HB2 ASN 79 30.341 -3.905 -0.828 512 HB3 ASN 79 HB1 ASN 79 28.830 -4.805 -0.960 513 HD21 ASN 79 HD21 ASN 79 27.835 -5.024 -2.989 514 HD22 ASN 79 HD22 ASN 79 28.660 -4.657 -4.462 515 H GLU 80 HN GLU 80 26.343 -2.231 0.287 516 HA GLU 80 HA GLU 80 26.872 -3.208 2.953 517 HB2 GLU 80 HB2 GLU 80 26.358 -0.988 4.045 518 HB3 GLU 80 HB1 GLU 80 27.884 -0.980 3.161 519 HG2 GLU 80 HG2 GLU 80 26.821 0.176 1.279 520 HG3 GLU 80 HG1 GLU 80 25.263 0.124 2.102 521 H GLY 81 HN GLY 81 24.824 -2.679 4.364 522 HA2 GLY 81 HA2 GLY 81 22.605 -1.988 4.630 523 HA3 GLY 81 HA1 GLY 81 22.400 -1.918 2.891 524 H ARG 82 HN ARG 82 23.640 -4.785 2.867 525 HA ARG 82 HA ARG 82 21.129 -6.228 3.549 526 HB2 ARG 82 HB2 ARG 82 21.628 -5.999 1.071 527 HB3 ARG 82 HB1 ARG 82 23.103 -6.920 1.315 528 HG2 ARG 82 HG2 ARG 82 21.404 -8.388 0.408 529 HG3 ARG 82 HG1 ARG 82 21.708 -8.865 2.082 530 HD2 ARG 82 HD2 ARG 82 19.682 -7.603 2.782 531 HD3 ARG 82 HD1 ARG 82 19.370 -7.187 1.092 532 HE ARG 82 HE ARG 82 19.506 -9.908 1.074 533 HH11 ARG 82 HH11 ARG 82 17.551 -7.662 2.955 534 HH12 ARG 82 HH12 ARG 82 16.226 -8.772 3.091 535 HH21 ARG 82 HH21 ARG 82 17.781 -11.319 1.282 536 HH22 ARG 82 HH22 ARG 82 16.362 -10.850 2.158 537 H GLY 83 HN GLY 83 21.320 -8.215 4.607 538 HA2 GLY 83 HA2 GLY 83 23.843 -9.554 5.019 539 HA3 GLY 83 HA1 GLY 83 23.263 -8.711 6.456 Start of MODEL 17 1 H1 SER 11 HT1 SER 11 12.422 39.171 9.128 2 H2 SER 11 HT2 SER 11 13.474 38.228 8.204 3 H3 SER 11 HT3 SER 11 11.853 37.783 8.351 4 HA SER 11 HA SER 11 11.137 39.686 7.171 5 HB2 SER 11 HB2 SER 11 14.100 40.386 6.999 6 HB3 SER 11 HB1 SER 11 12.795 41.271 6.207 7 HG SER 11 HG SER 11 12.063 41.964 8.151 8 H ALA 12 HN ALA 12 10.515 37.767 6.089 9 HA ALA 12 HA ALA 12 11.882 37.323 3.522 10 HB1 ALA 12 HB1 ALA 12 10.981 35.037 5.339 11 HB2 ALA 12 HB2 ALA 12 12.651 35.471 4.979 12 HB3 ALA 12 HB3 ALA 12 11.608 34.867 3.693 13 H GLU 13 HN GLU 13 10.419 36.985 1.840 14 HA GLU 13 HA GLU 13 7.560 36.660 2.409 15 HB2 GLU 13 HB2 GLU 13 8.247 39.172 2.484 16 HB3 GLU 13 HB1 GLU 13 8.488 39.052 0.746 17 HG2 GLU 13 HG2 GLU 13 5.855 38.364 2.086 18 HG3 GLU 13 HG1 GLU 13 6.255 40.011 1.612 19 H CYS 14 HN CYS 14 9.480 37.778 -0.427 20 HA CYS 14 HA CYS 14 8.270 35.691 -2.096 21 HB2 CYS 14 HB2 CYS 14 10.098 38.012 -2.821 22 HB3 CYS 14 HB1 CYS 14 9.386 36.883 -3.973 23 HG CYS 14 HG CYS 14 6.885 37.960 -2.275 24 H TRP 15 HN TRP 15 9.215 33.783 -2.258 25 HA TRP 15 HA TRP 15 11.956 33.232 -1.587 26 HB2 TRP 15 HB2 TRP 15 9.860 31.488 -2.961 27 HB3 TRP 15 HB1 TRP 15 11.419 30.917 -2.378 28 HD1 TRP 15 HD1 TRP 15 8.121 32.401 -0.953 29 HE1 TRP 15 HE1 TRP 15 7.793 31.466 1.418 30 HE3 TRP 15 HE3 TRP 15 12.527 29.829 -0.476 31 HZ2 TRP 15 HZ2 TRP 15 9.219 29.879 3.267 32 HZ3 TRP 15 HZ3 TRP 15 12.970 28.624 1.628 33 HH2 TRP 15 HH2 TRP 15 11.345 28.647 3.464 34 H ALA 16 HN ALA 16 10.051 33.177 -4.592 35 HA ALA 16 HA ALA 16 10.507 33.254 -6.794 36 HB1 ALA 16 HB1 ALA 16 12.227 34.845 -7.550 37 HB2 ALA 16 HB2 ALA 16 12.938 34.861 -5.934 38 HB3 ALA 16 HB3 ALA 16 11.317 35.507 -6.186 39 H ALA 17 HN ALA 17 11.499 30.990 -5.283 40 HA ALA 17 HA ALA 17 13.966 30.157 -6.695 41 HB1 ALA 17 HB1 ALA 17 14.357 28.668 -4.778 42 HB2 ALA 17 HB2 ALA 17 12.826 29.170 -4.051 43 HB3 ALA 17 HB3 ALA 17 14.140 30.333 -4.236 44 H LEU 18 HN LEU 18 11.389 29.998 -7.921 45 HA LEU 18 HA LEU 18 10.261 27.357 -7.660 46 HB2 LEU 18 HB2 LEU 18 9.701 29.639 -9.601 47 HB3 LEU 18 HB1 LEU 18 8.861 28.100 -9.676 48 HG LEU 18 HG LEU 18 7.985 28.516 -7.347 49 HD11 LEU 18 HD11 LEU 18 8.028 30.782 -6.404 50 HD12 LEU 18 HD12 LEU 18 9.132 31.299 -7.681 51 HD13 LEU 18 HD13 LEU 18 9.647 30.088 -6.506 52 HD21 LEU 18 HD21 LEU 18 6.585 28.951 -9.313 53 HD22 LEU 18 HD22 LEU 18 7.224 30.593 -9.427 54 HD23 LEU 18 HD23 LEU 18 6.248 30.121 -8.035 55 H LEU 19 HN LEU 19 12.593 28.915 -9.770 56 HA LEU 19 HA LEU 19 14.074 28.190 -11.305 57 HB2 LEU 19 HB2 LEU 19 13.200 25.365 -10.602 58 HB3 LEU 19 HB1 LEU 19 14.617 25.781 -11.560 59 HG LEU 19 HG LEU 19 14.205 26.428 -8.598 60 HD11 LEU 19 HD11 LEU 19 16.041 24.836 -8.203 61 HD12 LEU 19 HD12 LEU 19 16.071 24.428 -9.920 62 HD13 LEU 19 HD13 LEU 19 14.645 24.055 -8.946 63 HD21 LEU 19 HD21 LEU 19 16.594 27.019 -10.385 64 HD22 LEU 19 HD22 LEU 19 16.534 27.248 -8.634 65 HD23 LEU 19 HD23 LEU 19 15.491 28.204 -9.682 66 H HIS 20 HN HIS 20 13.474 28.910 -13.232 67 HA HIS 20 HA HIS 20 11.486 27.447 -14.884 68 HB2 HIS 20 HB2 HIS 20 11.875 30.460 -14.570 69 HB3 HIS 20 HB1 HIS 20 10.899 29.739 -15.843 70 HD1 HIS 20 HD1 HIS 20 10.499 31.240 -12.670 71 HD2 HIS 20 HD2 HIS 20 8.785 27.942 -14.531 72 HE1 HIS 20 HE1 HIS 20 8.349 30.819 -11.439 73 HE2 HIS 20 HE2 HIS 20 7.371 28.775 -12.529 74 H ASP 21 HN ASP 21 14.274 26.953 -14.866 75 HA ASP 21 HA ASP 21 15.663 28.361 -16.943 76 HB2 ASP 21 HB2 ASP 21 17.469 26.846 -16.547 77 HB3 ASP 21 HB1 ASP 21 16.724 27.099 -14.979 78 HA PRO 22 HA PRO 22 14.342 26.497 -20.783 79 HB2 PRO 22 HB2 PRO 22 16.633 25.340 -21.934 80 HB3 PRO 22 HB1 PRO 22 16.217 27.057 -22.004 81 HG2 PRO 22 HG2 PRO 22 18.040 25.623 -20.070 82 HG3 PRO 22 HG1 PRO 22 18.306 27.152 -20.937 83 HD2 PRO 22 HD2 PRO 22 17.581 27.207 -18.385 84 HD3 PRO 22 HD1 PRO 22 16.829 28.353 -19.521 85 H MET 23 HN MET 23 16.086 24.230 -18.667 86 HA MET 23 HA MET 23 14.649 21.944 -19.928 87 HB2 MET 23 HB2 MET 23 17.390 21.907 -18.581 88 HB3 MET 23 HB1 MET 23 16.538 20.495 -19.207 89 HG2 MET 23 HG2 MET 23 17.558 22.839 -20.829 90 HG3 MET 23 HG1 MET 23 18.255 21.217 -20.775 91 HE1 MET 23 HE1 MET 23 18.132 21.298 -23.520 92 HE2 MET 23 HE2 MET 23 17.330 22.870 -23.469 93 HE3 MET 23 HE3 MET 23 16.626 21.546 -24.401 94 H THR 24 HN THR 24 16.476 21.891 -16.892 95 HA THR 24 HA THR 24 14.336 21.943 -15.024 96 HB THR 24 HB THR 24 13.691 19.825 -16.217 97 HG1 THR 24 HG1 THR 24 14.463 19.706 -13.487 98 HG21 THR 24 HG21 THR 24 15.941 19.014 -16.873 99 HG22 THR 24 HG22 THR 24 15.051 17.784 -15.978 100 HG23 THR 24 HG23 THR 24 16.327 18.699 -15.177 101 H LEU 25 HN LEU 25 17.259 22.610 -15.579 102 HA LEU 25 HA LEU 25 18.581 21.398 -13.243 103 HB2 LEU 25 HB2 LEU 25 19.124 20.148 -15.368 104 HB3 LEU 25 HB1 LEU 25 19.812 21.617 -16.026 105 HG LEU 25 HG LEU 25 20.923 20.515 -13.435 106 HD11 LEU 25 HD11 LEU 25 21.694 19.444 -16.159 107 HD12 LEU 25 HD12 LEU 25 20.844 18.560 -14.890 108 HD13 LEU 25 HD13 LEU 25 22.507 19.081 -14.633 109 HD21 LEU 25 HD21 LEU 25 23.056 21.487 -14.222 110 HD22 LEU 25 HD22 LEU 25 21.783 22.706 -14.174 111 HD23 LEU 25 HD23 LEU 25 22.276 22.008 -15.719 112 H ASP 26 HN ASP 26 18.744 23.171 -12.033 113 HA ASP 26 HA ASP 26 19.754 25.709 -13.074 114 HB2 ASP 26 HB2 ASP 26 17.950 25.650 -11.317 115 HB3 ASP 26 HB1 ASP 26 19.088 24.876 -10.214 116 H MET 27 HN MET 27 21.910 25.975 -13.274 117 HA MET 27 HA MET 27 23.864 24.098 -12.622 118 HB2 MET 27 HB2 MET 27 24.071 27.041 -13.321 119 HB3 MET 27 HB1 MET 27 25.508 26.068 -13.028 120 HG2 MET 27 HG2 MET 27 25.155 26.163 -15.380 121 HG3 MET 27 HG1 MET 27 24.787 24.531 -14.846 122 HE1 MET 27 HE1 MET 27 23.612 24.005 -17.145 123 HE2 MET 27 HE2 MET 27 23.988 25.635 -17.711 124 HE3 MET 27 HE3 MET 27 22.344 25.006 -17.853 125 H ASP 28 HN ASP 28 22.907 27.000 -10.840 126 HA ASP 28 HA ASP 28 24.925 26.946 -8.831 127 HB2 ASP 28 HB2 ASP 28 23.761 29.008 -9.255 128 HB3 ASP 28 HB1 ASP 28 22.186 28.253 -9.058 129 H ALA 29 HN ALA 29 21.652 25.562 -9.001 130 HA ALA 29 HA ALA 29 21.514 24.602 -6.320 131 HB1 ALA 29 HB1 ALA 29 19.588 23.273 -7.099 132 HB2 ALA 29 HB2 ALA 29 20.013 23.629 -8.778 133 HB3 ALA 29 HB3 ALA 29 19.502 24.930 -7.699 134 H VAL 30 HN VAL 30 22.396 23.030 -9.388 135 HA VAL 30 HA VAL 30 22.887 20.432 -8.406 136 HB VAL 30 HB VAL 30 23.832 21.827 -10.941 137 HG11 VAL 30 HG11 VAL 30 24.023 18.861 -10.291 138 HG12 VAL 30 HG12 VAL 30 25.378 19.966 -10.523 139 HG13 VAL 30 HG13 VAL 30 24.319 19.575 -11.877 140 HG21 VAL 30 HG21 VAL 30 21.558 19.870 -10.443 141 HG22 VAL 30 HG22 VAL 30 22.028 20.512 -12.017 142 HG23 VAL 30 HG23 VAL 30 21.398 21.599 -10.780 143 H LEU 31 HN LEU 31 24.928 23.268 -8.795 144 HA LEU 31 HA LEU 31 27.462 22.212 -8.166 145 HB2 LEU 31 HB2 LEU 31 27.022 24.521 -9.056 146 HB3 LEU 31 HB1 LEU 31 26.345 24.964 -7.500 147 HG LEU 31 HG LEU 31 28.634 24.471 -6.467 148 HD11 LEU 31 HD11 LEU 31 29.515 23.030 -8.250 149 HD12 LEU 31 HD12 LEU 31 30.579 24.399 -7.938 150 HD13 LEU 31 HD13 LEU 31 29.534 24.403 -9.362 151 HD21 LEU 31 HD21 LEU 31 27.884 26.769 -6.887 152 HD22 LEU 31 HD22 LEU 31 28.504 26.687 -8.538 153 HD23 LEU 31 HD23 LEU 31 29.619 26.612 -7.172 154 H SER 32 HN SER 32 24.898 23.589 -6.120 155 HA SER 32 HA SER 32 26.190 23.269 -3.618 156 HB2 SER 32 HB2 SER 32 24.298 24.814 -3.942 157 HB3 SER 32 HB1 SER 32 23.221 23.457 -4.264 158 HG SER 32 HG SER 32 24.594 23.970 -1.817 159 H ASP 33 HN ASP 33 23.976 21.163 -5.464 160 HA ASP 33 HA ASP 33 23.482 19.166 -3.538 161 HB2 ASP 33 HB2 ASP 33 23.540 18.995 -6.582 162 HB3 ASP 33 HB1 ASP 33 23.061 17.640 -5.569 163 H PHE 34 HN PHE 34 25.947 19.440 -6.058 164 HA PHE 34 HA PHE 34 27.233 16.970 -5.690 165 HB2 PHE 34 HB2 PHE 34 27.546 18.390 -7.711 166 HB3 PHE 34 HB1 PHE 34 28.426 19.572 -6.748 167 HD1 PHE 34 HD2 PHE 34 28.580 16.203 -8.263 168 HD2 PHE 34 HD1 PHE 34 30.747 19.150 -6.063 169 HE1 PHE 34 HE2 PHE 34 30.672 14.998 -8.673 170 HE2 PHE 34 HE1 PHE 34 32.834 17.922 -6.488 171 HZ PHE 34 HZ PHE 34 32.791 15.852 -7.788 172 H VAL 35 HN VAL 35 28.273 20.216 -4.557 173 HA VAL 35 HA VAL 35 30.504 19.465 -3.046 174 HB VAL 35 HB VAL 35 28.637 21.863 -2.753 175 HG11 VAL 35 HG11 VAL 35 31.354 21.489 -1.429 176 HG12 VAL 35 HG12 VAL 35 29.798 21.583 -0.600 177 HG13 VAL 35 HG13 VAL 35 30.429 22.992 -1.456 178 HG21 VAL 35 HG21 VAL 35 31.375 21.604 -4.056 179 HG22 VAL 35 HG22 VAL 35 30.418 23.087 -3.956 180 HG23 VAL 35 HG23 VAL 35 29.832 21.718 -4.907 181 H ARG 36 HN ARG 36 27.118 19.563 -2.145 182 HA ARG 36 HA ARG 36 27.435 19.297 0.691 183 HB2 ARG 36 HB2 ARG 36 25.459 20.303 -0.560 184 HB3 ARG 36 HB1 ARG 36 24.979 18.667 -0.995 185 HG2 ARG 36 HG2 ARG 36 24.627 18.117 1.362 186 HG3 ARG 36 HG1 ARG 36 25.216 19.716 1.842 187 HD2 ARG 36 HD2 ARG 36 23.350 20.760 0.585 188 HD3 ARG 36 HD1 ARG 36 22.757 19.152 0.153 189 HE ARG 36 HE ARG 36 22.950 19.389 2.967 190 HH11 ARG 36 HH11 ARG 36 20.973 20.555 0.288 191 HH12 ARG 36 HH12 ARG 36 19.565 20.773 1.275 192 HH21 ARG 36 HH21 ARG 36 21.095 19.684 4.227 193 HH22 ARG 36 HH22 ARG 36 19.635 20.283 3.506 194 H SER 37 HN SER 37 27.127 17.040 -1.994 195 HA SER 37 HA SER 37 26.718 14.701 -0.289 196 HB2 SER 37 HB2 SER 37 27.051 14.929 -3.315 197 HB3 SER 37 HB1 SER 37 26.563 13.473 -2.443 198 HG SER 37 HG SER 37 25.096 15.830 -2.037 199 H THR 38 HN THR 38 29.360 16.235 -2.040 200 HA THR 38 HA THR 38 31.059 13.809 -1.916 201 HB THR 38 HB THR 38 32.462 14.943 -3.637 202 HG1 THR 38 HG1 THR 38 30.651 16.854 -4.334 203 HG21 THR 38 HG21 THR 38 30.880 14.791 -5.522 204 HG22 THR 38 HG22 THR 38 29.520 14.809 -4.395 205 HG23 THR 38 HG23 THR 38 30.652 13.451 -4.396 206 H GLY 39 HN GLY 39 30.779 17.057 -0.697 207 HA2 GLY 39 HA2 GLY 39 32.042 18.270 0.791 208 HA3 GLY 39 HA1 GLY 39 33.049 16.854 1.051 209 H ALA 40 HN ALA 40 32.706 17.850 -2.223 210 HA ALA 40 HA ALA 40 35.500 18.469 -2.512 211 HB1 ALA 40 HB1 ALA 40 34.230 17.290 -4.276 212 HB2 ALA 40 HB2 ALA 40 34.966 18.766 -4.897 213 HB3 ALA 40 HB3 ALA 40 33.237 18.727 -4.537 214 H GLU 41 HN GLU 41 36.285 20.481 -3.584 215 HA GLU 41 HA GLU 41 35.224 22.851 -2.282 216 HB2 GLU 41 HB2 GLU 41 37.201 23.949 -2.941 217 HB3 GLU 41 HB1 GLU 41 37.740 22.283 -2.762 218 HG2 GLU 41 HG2 GLU 41 37.535 21.995 -5.226 219 HG3 GLU 41 HG1 GLU 41 37.082 23.696 -5.361 220 HA PRO 42 HA PRO 42 32.438 24.457 -5.407 221 HB2 PRO 42 HB2 PRO 42 33.380 27.075 -5.829 222 HB3 PRO 42 HB1 PRO 42 32.351 26.570 -4.482 223 HG2 PRO 42 HG2 PRO 42 35.361 26.832 -4.571 224 HG3 PRO 42 HG1 PRO 42 34.227 27.423 -3.340 225 HD2 PRO 42 HD2 PRO 42 35.580 25.206 -2.877 226 HD3 PRO 42 HD1 PRO 42 33.843 25.242 -2.477 227 H GLY 43 HN GLY 43 35.856 25.167 -6.104 228 HA2 GLY 43 HA2 GLY 43 35.616 25.602 -8.896 229 HA3 GLY 43 HA1 GLY 43 37.092 25.216 -8.026 230 H LEU 44 HN LEU 44 36.718 22.757 -7.076 231 HA LEU 44 HA LEU 44 37.162 21.008 -9.246 232 HB2 LEU 44 HB2 LEU 44 38.026 20.606 -6.932 233 HB3 LEU 44 HB1 LEU 44 36.388 20.302 -6.383 234 HG LEU 44 HG LEU 44 36.284 18.309 -7.944 235 HD11 LEU 44 HD11 LEU 44 38.359 17.414 -8.885 236 HD12 LEU 44 HD12 LEU 44 39.236 18.850 -8.347 237 HD13 LEU 44 HD13 LEU 44 37.969 18.991 -9.571 238 HD21 LEU 44 HD21 LEU 44 37.673 16.827 -6.559 239 HD22 LEU 44 HD22 LEU 44 36.781 17.981 -5.571 240 HD23 LEU 44 HD23 LEU 44 38.504 18.229 -5.876 241 H ALA 45 HN ALA 45 34.347 21.716 -7.284 242 HA ALA 45 HA ALA 45 32.578 19.703 -8.091 243 HB1 ALA 45 HB1 ALA 45 30.804 21.206 -7.266 244 HB2 ALA 45 HB2 ALA 45 31.953 22.548 -7.226 245 HB3 ALA 45 HB3 ALA 45 32.173 21.165 -6.151 246 H ARG 46 HN ARG 46 32.817 23.053 -9.228 247 HA ARG 46 HA ARG 46 31.026 22.905 -11.386 248 HB2 ARG 46 HB2 ARG 46 31.461 25.072 -10.632 249 HB3 ARG 46 HB1 ARG 46 33.189 24.817 -10.508 250 HG2 ARG 46 HG2 ARG 46 31.944 24.893 -13.251 251 HG3 ARG 46 HG1 ARG 46 32.129 26.413 -12.373 252 HD2 ARG 46 HD2 ARG 46 34.492 26.243 -12.342 253 HD3 ARG 46 HD1 ARG 46 34.472 24.511 -12.703 254 HE ARG 46 HE ARG 46 33.358 26.102 -14.820 255 HH11 ARG 46 HH11 ARG 46 36.421 24.969 -13.497 256 HH12 ARG 46 HH12 ARG 46 37.226 25.000 -15.031 257 HH21 ARG 46 HH21 ARG 46 34.413 26.094 -16.812 258 HH22 ARG 46 HH22 ARG 46 36.085 25.645 -16.913 259 H ASP 47 HN ASP 47 34.485 22.230 -11.207 260 HA ASP 47 HA ASP 47 35.088 22.089 -13.977 261 HB2 ASP 47 HB2 ASP 47 36.853 22.247 -12.245 262 HB3 ASP 47 HB1 ASP 47 36.394 20.677 -11.604 263 H LEU 48 HN LEU 48 34.260 19.550 -11.612 264 HA LEU 48 HA LEU 48 34.352 17.358 -13.433 265 HB2 LEU 48 HB2 LEU 48 33.086 17.599 -10.672 266 HB3 LEU 48 HB1 LEU 48 33.195 16.084 -11.565 267 HG LEU 48 HG LEU 48 35.548 17.736 -10.541 268 HD11 LEU 48 HD11 LEU 48 34.517 15.037 -9.622 269 HD12 LEU 48 HD12 LEU 48 34.386 16.567 -8.748 270 HD13 LEU 48 HD13 LEU 48 35.971 15.853 -9.034 271 HD21 LEU 48 HD21 LEU 48 36.990 15.903 -11.302 272 HD22 LEU 48 HD22 LEU 48 36.153 16.666 -12.650 273 HD23 LEU 48 HD23 LEU 48 35.602 15.099 -12.042 274 H LEU 49 HN LEU 49 31.747 19.394 -12.178 275 HA LEU 49 HA LEU 49 29.545 18.034 -13.272 276 HB2 LEU 49 HB2 LEU 49 29.960 20.909 -12.428 277 HB3 LEU 49 HB1 LEU 49 28.436 20.403 -13.144 278 HG LEU 49 HG LEU 49 29.614 19.119 -10.640 279 HD11 LEU 49 HD11 LEU 49 27.447 21.234 -10.780 280 HD12 LEU 49 HD12 LEU 49 29.088 21.464 -10.170 281 HD13 LEU 49 HD13 LEU 49 27.986 20.377 -9.331 282 HD21 LEU 49 HD21 LEU 49 28.112 17.648 -11.869 283 HD22 LEU 49 HD22 LEU 49 26.864 18.896 -11.920 284 HD23 LEU 49 HD23 LEU 49 27.344 18.178 -10.375 285 H GLU 50 HN GLU 50 31.248 20.919 -14.588 286 HA GLU 50 HA GLU 50 29.909 21.016 -17.062 287 HB2 GLU 50 HB2 GLU 50 32.661 22.028 -16.269 288 HB3 GLU 50 HB1 GLU 50 31.920 22.372 -17.833 289 HG2 GLU 50 HG2 GLU 50 30.019 23.466 -16.635 290 HG3 GLU 50 HG1 GLU 50 30.865 23.203 -15.113 291 H GLY 51 HN GLY 51 32.731 19.175 -16.042 292 HA2 GLY 51 HA2 GLY 51 33.581 18.148 -18.535 293 HA3 GLY 51 HA1 GLY 51 33.843 17.402 -16.966 294 H LYS 52 HN LYS 52 30.916 17.290 -16.435 295 HA LYS 52 HA LYS 52 30.225 14.931 -18.085 296 HB2 LYS 52 HB2 LYS 52 29.147 15.655 -15.322 297 HB3 LYS 52 HB1 LYS 52 28.917 14.138 -16.189 298 HG2 LYS 52 HG2 LYS 52 31.486 15.187 -14.981 299 HG3 LYS 52 HG1 LYS 52 30.528 13.816 -14.425 300 HD2 LYS 52 HD2 LYS 52 31.152 12.510 -16.366 301 HD3 LYS 52 HD1 LYS 52 31.904 13.910 -17.142 302 HE2 LYS 52 HE2 LYS 52 33.584 13.985 -15.293 303 HE3 LYS 52 HE1 LYS 52 32.858 12.530 -14.612 304 HZ1 LYS 52 HZ1 LYS 52 34.167 12.757 -17.262 305 HZ2 LYS 52 HZ2 LYS 52 33.429 11.360 -16.656 306 HZ3 LYS 52 HZ3 LYS 52 34.790 11.993 -15.886 307 H ASN 53 HN ASN 53 29.591 17.944 -18.565 308 HA ASN 53 HA ASN 53 27.953 19.100 -19.652 309 HB2 ASN 53 HB2 ASN 53 27.677 16.998 -20.950 310 HB3 ASN 53 HB1 ASN 53 26.565 16.375 -19.750 311 HD21 ASN 53 HD21 ASN 53 24.413 17.002 -19.819 312 HD22 ASN 53 HD22 ASN 53 23.741 17.936 -21.109 313 H TRP 54 HN TRP 54 28.066 19.130 -16.873 314 HA TRP 54 HA TRP 54 27.123 19.656 -14.912 315 HB2 TRP 54 HB2 TRP 54 25.033 20.766 -16.778 316 HB3 TRP 54 HB1 TRP 54 24.828 20.890 -15.040 317 HD1 TRP 54 HD1 TRP 54 26.809 22.381 -17.914 318 HE1 TRP 54 HE1 TRP 54 28.142 24.391 -17.031 319 HE3 TRP 54 HE3 TRP 54 26.016 21.770 -12.896 320 HZ2 TRP 54 HZ2 TRP 54 28.803 25.548 -14.555 321 HZ3 TRP 54 HZ3 TRP 54 27.045 23.358 -11.324 322 HH2 TRP 54 HH2 TRP 54 28.416 25.216 -12.140 323 H ASP 55 HN ASP 55 26.255 16.986 -16.320 324 HA ASP 55 HA ASP 55 23.876 16.200 -14.951 325 HB2 ASP 55 HB2 ASP 55 26.115 14.616 -16.283 326 HB3 ASP 55 HB1 ASP 55 24.790 13.812 -15.443 327 H LEU 56 HN LEU 56 23.818 16.421 -12.855 328 HA LEU 56 HA LEU 56 25.765 16.481 -10.934 329 HB2 LEU 56 HB2 LEU 56 23.428 17.155 -10.523 330 HB3 LEU 56 HB1 LEU 56 22.898 15.486 -10.692 331 HG LEU 56 HG LEU 56 24.186 14.898 -8.614 332 HD11 LEU 56 HD11 LEU 56 25.017 16.693 -7.147 333 HD12 LEU 56 HD12 LEU 56 24.667 17.887 -8.399 334 HD13 LEU 56 HD13 LEU 56 25.887 16.639 -8.679 335 HD21 LEU 56 HD21 LEU 56 22.605 15.925 -7.017 336 HD22 LEU 56 HD22 LEU 56 21.780 15.345 -8.462 337 HD23 LEU 56 HD23 LEU 56 22.087 17.075 -8.255 338 H THR 57 HN THR 57 23.819 13.644 -11.859 339 HA THR 57 HA THR 57 24.783 11.808 -9.986 340 HB THR 57 HB THR 57 23.683 11.109 -12.754 341 HG1 THR 57 HG1 THR 57 21.649 11.376 -11.862 342 HG21 THR 57 HG21 THR 57 22.763 9.122 -11.615 343 HG22 THR 57 HG22 THR 57 23.483 9.644 -10.094 344 HG23 THR 57 HG23 THR 57 24.527 9.172 -11.435 345 H ALA 58 HN ALA 58 25.870 12.506 -13.274 346 HA ALA 58 HA ALA 58 27.731 10.355 -13.554 347 HB1 ALA 58 HB1 ALA 58 27.546 12.964 -15.093 348 HB2 ALA 58 HB2 ALA 58 26.701 11.468 -15.493 349 HB3 ALA 58 HB3 ALA 58 28.463 11.533 -15.589 350 H ALA 59 HN ALA 59 27.987 13.708 -12.478 351 HA ALA 59 HA ALA 59 30.848 13.789 -12.265 352 HB1 ALA 59 HB1 ALA 59 28.760 15.562 -10.953 353 HB2 ALA 59 HB2 ALA 59 29.505 15.839 -12.528 354 HB3 ALA 59 HB3 ALA 59 30.491 15.908 -11.067 355 H LEU 60 HN LEU 60 28.189 13.160 -9.974 356 HA LEU 60 HA LEU 60 29.624 12.820 -7.583 357 HB2 LEU 60 HB2 LEU 60 27.091 11.432 -8.542 358 HB3 LEU 60 HB1 LEU 60 27.694 11.315 -6.896 359 HG LEU 60 HG LEU 60 26.731 13.875 -8.241 360 HD11 LEU 60 HD11 LEU 60 24.888 12.334 -7.797 361 HD12 LEU 60 HD12 LEU 60 24.806 13.737 -6.736 362 HD13 LEU 60 HD13 LEU 60 25.386 12.190 -6.107 363 HD21 LEU 60 HD21 LEU 60 28.466 14.359 -6.586 364 HD22 LEU 60 HD22 LEU 60 27.593 13.429 -5.366 365 HD23 LEU 60 HD23 LEU 60 26.890 14.911 -6.024 366 H SER 61 HN SER 61 28.792 10.492 -10.129 367 HA SER 61 HA SER 61 29.920 8.171 -8.958 368 HB2 SER 61 HB2 SER 61 28.203 8.135 -10.789 369 HB3 SER 61 HB1 SER 61 29.432 8.699 -11.923 370 HG SER 61 HG SER 61 29.858 6.387 -10.361 371 H ASP 62 HN ASP 62 31.208 10.617 -11.145 372 HA ASP 62 HA ASP 62 33.717 9.413 -11.725 373 HB2 ASP 62 HB2 ASP 62 32.696 11.275 -13.060 374 HB3 ASP 62 HB1 ASP 62 32.977 12.371 -11.712 375 H TYR 63 HN TYR 63 32.580 11.593 -9.184 376 HA TYR 63 HA TYR 63 35.106 12.225 -8.067 377 HB2 TYR 63 HB2 TYR 63 33.011 13.572 -7.727 378 HB3 TYR 63 HB1 TYR 63 32.398 12.297 -6.675 379 HD1 TYR 63 HD2 TYR 63 34.983 14.938 -7.020 380 HD2 TYR 63 HD1 TYR 63 33.255 12.062 -4.370 381 HE1 TYR 63 HE2 TYR 63 36.177 15.952 -5.131 382 HE2 TYR 63 HE1 TYR 63 34.469 13.082 -2.484 383 HH TYR 63 HH TYR 63 35.975 16.121 -2.705 384 H GLU 64 HN GLU 64 32.634 9.781 -7.197 385 HA GLU 64 HA GLU 64 34.150 8.728 -4.984 386 HB2 GLU 64 HB2 GLU 64 32.426 7.003 -4.825 387 HB3 GLU 64 HB1 GLU 64 31.674 8.579 -5.050 388 HG2 GLU 64 HG2 GLU 64 31.442 8.009 -7.504 389 HG3 GLU 64 HG1 GLU 64 31.977 6.379 -7.110 390 H GLN 65 HN GLN 65 34.190 8.239 -8.410 391 HA GLN 65 HA GLN 65 35.579 5.744 -8.481 392 HB2 GLN 65 HB2 GLN 65 34.391 6.745 -10.434 393 HB3 GLN 65 HB1 GLN 65 35.585 8.037 -10.492 394 HG2 GLN 65 HG2 GLN 65 37.345 6.308 -10.940 395 HG3 GLN 65 HG1 GLN 65 36.078 5.090 -11.026 396 HE21 GLN 65 HE21 GLN 65 34.585 5.170 -12.769 397 HE22 GLN 65 HE22 GLN 65 34.954 6.011 -14.232 398 H LEU 66 HN LEU 66 36.690 9.172 -8.548 399 HA LEU 66 HA LEU 66 39.479 8.462 -8.612 400 HB2 LEU 66 HB2 LEU 66 39.946 10.892 -8.366 401 HB3 LEU 66 HB1 LEU 66 38.860 10.507 -9.680 402 HG LEU 66 HG LEU 66 36.965 11.199 -7.975 403 HD11 LEU 66 HD11 LEU 66 38.350 11.451 -5.978 404 HD12 LEU 66 HD12 LEU 66 37.558 12.965 -6.403 405 HD13 LEU 66 HD13 LEU 66 39.274 12.738 -6.760 406 HD21 LEU 66 HD21 LEU 66 37.048 13.523 -8.779 407 HD22 LEU 66 HD22 LEU 66 37.390 12.371 -10.067 408 HD23 LEU 66 HD23 LEU 66 38.712 13.279 -9.327 409 H ARG 67 HN ARG 67 37.178 9.037 -6.067 410 HA ARG 67 HA ARG 67 39.098 9.284 -3.926 411 HB2 ARG 67 HB2 ARG 67 36.099 8.841 -4.049 412 HB3 ARG 67 HB1 ARG 67 36.954 8.721 -2.515 413 HG2 ARG 67 HG2 ARG 67 36.907 11.180 -4.300 414 HG3 ARG 67 HG1 ARG 67 35.924 10.934 -2.850 415 HD2 ARG 67 HD2 ARG 67 38.077 10.664 -1.548 416 HD3 ARG 67 HD1 ARG 67 38.947 11.171 -3.001 417 HE ARG 67 HE ARG 67 37.352 13.242 -2.755 418 HH11 ARG 67 HH11 ARG 67 38.956 11.547 -0.118 419 HH12 ARG 67 HH12 ARG 67 39.063 12.969 0.867 420 HH21 ARG 67 HH21 ARG 67 37.512 15.087 -1.442 421 HH22 ARG 67 HH22 ARG 67 38.247 14.967 0.122 422 H GLN 68 HN GLN 68 37.707 6.644 -5.674 423 HA GLN 68 HA GLN 68 37.635 4.621 -3.731 424 HB2 GLN 68 HB2 GLN 68 36.423 4.491 -5.854 425 HB3 GLN 68 HB1 GLN 68 37.939 4.466 -6.749 426 HG2 GLN 68 HG2 GLN 68 38.478 2.259 -5.856 427 HG3 GLN 68 HG1 GLN 68 37.045 2.293 -4.832 428 HE21 GLN 68 HE21 GLN 68 35.224 3.372 -6.787 429 HE22 GLN 68 HE22 GLN 68 34.956 2.136 -7.962 430 H VAL 69 HN VAL 69 40.078 4.981 -6.348 431 HA VAL 69 HA VAL 69 42.260 4.408 -6.568 432 HB VAL 69 HB VAL 69 42.492 4.845 -3.553 433 HG11 VAL 69 HG11 VAL 69 44.549 3.958 -4.593 434 HG12 VAL 69 HG12 VAL 69 44.778 5.622 -4.051 435 HG13 VAL 69 HG13 VAL 69 44.533 5.278 -5.765 436 HG21 VAL 69 HG21 VAL 69 42.572 6.986 -5.720 437 HG22 VAL 69 HG22 VAL 69 42.866 7.241 -3.996 438 HG23 VAL 69 HG23 VAL 69 41.263 6.753 -4.558 439 H HIS 70 HN HIS 70 40.520 2.233 -6.375 440 HA HIS 70 HA HIS 70 41.549 0.230 -4.525 441 HB2 HIS 70 HB2 HIS 70 39.090 0.459 -5.247 442 HB3 HIS 70 HB1 HIS 70 39.563 -0.209 -6.804 443 HD1 HIS 70 HD1 HIS 70 39.084 -1.109 -3.199 444 HD2 HIS 70 HD2 HIS 70 39.968 -3.001 -6.793 445 HE1 HIS 70 HE1 HIS 70 38.833 -3.563 -2.746 446 HE2 HIS 70 HE2 HIS 70 39.469 -4.700 -4.904 447 H THR 71 HN THR 71 43.300 -0.964 -4.962 448 HA THR 71 HA THR 71 44.917 -2.209 -5.963 449 HB THR 71 HB THR 71 43.183 -2.370 -8.471 450 HG1 THR 71 HG1 THR 71 42.732 -3.365 -5.924 451 HG21 THR 71 HG21 THR 71 44.121 -4.637 -8.707 452 HG22 THR 71 HG22 THR 71 45.089 -4.421 -7.246 453 HG23 THR 71 HG23 THR 71 45.416 -3.442 -8.679 454 H ALA 72 HN ALA 72 44.767 0.737 -6.265 455 HA ALA 72 HA ALA 72 46.675 1.157 -8.485 456 HB1 ALA 72 HB1 ALA 72 44.204 2.887 -8.038 457 HB2 ALA 72 HB2 ALA 72 44.423 1.728 -9.353 458 HB3 ALA 72 HB3 ALA 72 45.463 3.148 -9.249 459 H ASN 73 HN ASN 73 47.680 3.373 -8.345 460 HA ASN 73 HA ASN 73 48.262 4.103 -5.523 461 HB2 ASN 73 HB2 ASN 73 50.172 4.018 -7.911 462 HB3 ASN 73 HB1 ASN 73 50.585 4.697 -6.336 463 HD21 ASN 73 HD21 ASN 73 49.855 1.763 -8.093 464 HD22 ASN 73 HD22 ASN 73 50.490 0.665 -6.924 465 H LEU 74 HN LEU 74 46.334 5.532 -6.119 466 HA LEU 74 HA LEU 74 47.252 8.100 -7.262 467 HB2 LEU 74 HB2 LEU 74 44.433 7.111 -6.668 468 HB3 LEU 74 HB1 LEU 74 44.803 8.782 -7.048 469 HG LEU 74 HG LEU 74 45.756 7.929 -9.272 470 HD11 LEU 74 HD11 LEU 74 44.260 5.410 -8.529 471 HD12 LEU 74 HD12 LEU 74 46.008 5.571 -8.719 472 HD13 LEU 74 HD13 LEU 74 44.949 5.782 -10.112 473 HD21 LEU 74 HD21 LEU 74 43.621 9.120 -9.133 474 HD22 LEU 74 HD22 LEU 74 42.780 7.608 -8.782 475 HD23 LEU 74 HD23 LEU 74 43.550 7.847 -10.353 476 HA PRO 75 HA PRO 75 47.766 9.361 -2.956 477 HB2 PRO 75 HB2 PRO 75 48.437 12.068 -3.927 478 HB3 PRO 75 HB1 PRO 75 49.493 10.846 -3.213 479 HG2 PRO 75 HG2 PRO 75 49.656 11.541 -5.828 480 HG3 PRO 75 HG1 PRO 75 50.015 9.900 -5.258 481 HD2 PRO 75 HD2 PRO 75 47.462 10.942 -6.510 482 HD3 PRO 75 HD1 PRO 75 48.382 9.465 -6.887 483 H HIS 76 HN HIS 76 45.000 9.656 -4.218 484 HA HIS 76 HA HIS 76 43.823 12.077 -3.208 485 HB2 HIS 76 HB2 HIS 76 42.616 9.406 -4.043 486 HB3 HIS 76 HB1 HIS 76 41.627 10.736 -3.460 487 HD1 HIS 76 HD1 HIS 76 41.679 12.963 -4.953 488 HD2 HIS 76 HD2 HIS 76 43.253 9.550 -6.719 489 HE1 HIS 76 HE1 HIS 76 41.739 13.446 -7.418 490 HE2 HIS 76 HE2 HIS 76 42.846 11.436 -8.437 491 H VAL 77 HN VAL 77 44.995 9.308 -1.673 492 HA VAL 77 HA VAL 77 43.256 9.027 0.556 493 HB VAL 77 HB VAL 77 45.052 7.667 1.560 494 HG11 VAL 77 HG11 VAL 77 44.754 7.147 -1.424 495 HG12 VAL 77 HG12 VAL 77 43.632 6.628 -0.163 496 HG13 VAL 77 HG13 VAL 77 45.265 5.959 -0.218 497 HG21 VAL 77 HG21 VAL 77 47.262 7.386 0.430 498 HG22 VAL 77 HG22 VAL 77 47.018 9.046 0.978 499 HG23 VAL 77 HG23 VAL 77 46.820 8.647 -0.730 500 H PHE 78 HN PHE 78 45.454 11.515 -0.197 501 HA PHE 78 HA PHE 78 46.524 12.277 2.278 502 HB2 PHE 78 HB2 PHE 78 47.298 13.193 0.111 503 HB3 PHE 78 HB1 PHE 78 45.764 14.024 -0.106 504 HD1 PHE 78 HD1 PHE 78 48.887 13.951 1.921 505 HD2 PHE 78 HD2 PHE 78 45.357 16.175 0.964 506 HE1 PHE 78 HE1 PHE 78 49.793 15.912 3.104 507 HE2 PHE 78 HE2 PHE 78 46.275 18.126 2.149 508 HZ PHE 78 HZ PHE 78 48.488 17.997 3.221 509 H ASN 79 HN ASN 79 45.170 12.317 3.996 510 HA ASN 79 HA ASN 79 43.481 14.572 4.435 511 HB2 ASN 79 HB2 ASN 79 41.913 12.996 3.169 512 HB3 ASN 79 HB1 ASN 79 42.058 11.857 4.495 513 HD21 ASN 79 HD21 ASN 79 39.642 12.869 3.620 514 HD22 ASN 79 HD22 ASN 79 38.946 13.866 4.852 515 H GLU 80 HN GLU 80 43.376 14.972 6.579 516 HA GLU 80 HA GLU 80 43.673 12.887 8.586 517 HB2 GLU 80 HB2 GLU 80 45.485 14.119 9.795 518 HB3 GLU 80 HB1 GLU 80 46.012 13.485 8.240 519 HG2 GLU 80 HG2 GLU 80 45.754 15.748 7.243 520 HG3 GLU 80 HG1 GLU 80 45.263 16.372 8.816 521 H GLY 81 HN GLY 81 42.874 13.505 10.622 522 HA2 GLY 81 HA2 GLY 81 42.047 15.951 11.553 523 HA3 GLY 81 HA1 GLY 81 40.737 15.434 10.496 524 H ARG 82 HN ARG 82 42.646 14.522 13.325 525 HA ARG 82 HA ARG 82 40.674 12.548 14.202 526 HB2 ARG 82 HB2 ARG 82 42.276 12.221 16.145 527 HB3 ARG 82 HB1 ARG 82 42.935 11.861 14.553 528 HG2 ARG 82 HG2 ARG 82 44.094 14.048 14.544 529 HG3 ARG 82 HG1 ARG 82 43.451 14.391 16.152 530 HD2 ARG 82 HD2 ARG 82 45.741 13.624 16.364 531 HD3 ARG 82 HD1 ARG 82 44.662 12.393 17.021 532 HE ARG 82 HE ARG 82 44.952 11.369 14.649 533 HH11 ARG 82 HH11 ARG 82 47.502 12.965 16.453 534 HH12 ARG 82 HH12 ARG 82 48.762 11.997 15.758 535 HH21 ARG 82 HH21 ARG 82 46.615 10.127 13.726 536 HH22 ARG 82 HH22 ARG 82 48.260 10.386 14.216 537 H GLY 83 HN GLY 83 38.919 13.971 14.375 538 HA2 GLY 83 HA2 GLY 83 38.850 15.692 16.799 539 HA3 GLY 83 HA1 GLY 83 38.052 16.128 15.291 Start of MODEL 18 1 H1 SER 11 HT1 SER 11 15.936 -4.038 10.046 2 H2 SER 11 HT2 SER 11 14.533 -3.097 10.136 3 H3 SER 11 HT3 SER 11 15.993 -2.488 10.726 4 HA SER 11 HA SER 11 16.935 -2.470 8.540 5 HB2 SER 11 HB2 SER 11 15.630 -4.378 7.623 6 HB3 SER 11 HB1 SER 11 14.164 -3.395 7.655 7 HG SER 11 HG SER 11 14.841 -3.073 5.651 8 H ALA 12 HN ALA 12 17.169 -0.298 8.690 9 HA ALA 12 HA ALA 12 14.895 1.548 8.756 10 HB1 ALA 12 HB1 ALA 12 16.618 3.319 8.916 11 HB2 ALA 12 HB2 ALA 12 17.886 2.113 8.684 12 HB3 ALA 12 HB3 ALA 12 16.879 2.064 10.130 13 H GLU 13 HN GLU 13 14.147 0.581 6.716 14 HA GLU 13 HA GLU 13 15.537 1.409 4.249 15 HB2 GLU 13 HB2 GLU 13 13.949 -0.153 3.126 16 HB3 GLU 13 HB1 GLU 13 14.901 -0.951 4.374 17 HG2 GLU 13 HG2 GLU 13 12.970 -0.795 5.923 18 HG3 GLU 13 HG1 GLU 13 12.017 -0.042 4.646 19 H CYS 14 HN CYS 14 13.569 2.882 6.287 20 HA CYS 14 HA CYS 14 11.484 3.905 4.577 21 HB2 CYS 14 HB2 CYS 14 11.058 5.432 6.550 22 HB3 CYS 14 HB1 CYS 14 11.044 3.720 6.961 23 HG CYS 14 HG CYS 14 13.736 5.753 7.467 24 H TRP 15 HN TRP 15 12.650 4.722 2.791 25 HA TRP 15 HA TRP 15 13.907 7.367 3.229 26 HB2 TRP 15 HB2 TRP 15 14.895 5.257 1.249 27 HB3 TRP 15 HB1 TRP 15 15.517 6.898 1.380 28 HD1 TRP 15 HD1 TRP 15 15.918 3.457 2.899 29 HE1 TRP 15 HE1 TRP 15 17.707 3.521 4.740 30 HE3 TRP 15 HE3 TRP 15 16.556 8.527 3.272 31 HZ2 TRP 15 HZ2 TRP 15 19.185 5.433 6.176 32 HZ3 TRP 15 HZ3 TRP 15 18.184 9.391 4.908 33 HH2 TRP 15 HH2 TRP 15 19.474 7.872 6.331 34 H ALA 16 HN ALA 16 13.575 8.894 1.596 35 HA ALA 16 HA ALA 16 11.814 8.248 -0.663 36 HB1 ALA 16 HB1 ALA 16 10.236 10.063 -0.120 37 HB2 ALA 16 HB2 ALA 16 11.100 10.390 1.385 38 HB3 ALA 16 HB3 ALA 16 10.256 8.856 1.165 39 H ALA 17 HN ALA 17 14.106 8.587 -1.414 40 HA ALA 17 HA ALA 17 15.140 11.294 -1.581 41 HB1 ALA 17 HB1 ALA 17 16.952 10.254 -2.918 42 HB2 ALA 17 HB2 ALA 17 16.071 8.721 -2.928 43 HB3 ALA 17 HB3 ALA 17 16.683 9.379 -1.410 44 H LEU 18 HN LEU 18 14.518 12.733 -3.109 45 HA LEU 18 HA LEU 18 13.321 11.783 -5.656 46 HB2 LEU 18 HB2 LEU 18 11.735 13.078 -4.240 47 HB3 LEU 18 HB1 LEU 18 12.854 14.431 -4.205 48 HG LEU 18 HG LEU 18 12.577 14.725 -6.665 49 HD11 LEU 18 HD11 LEU 18 10.819 13.517 -7.885 50 HD12 LEU 18 HD12 LEU 18 10.538 12.488 -6.480 51 HD13 LEU 18 HD13 LEU 18 12.089 12.431 -7.322 52 HD21 LEU 18 HD21 LEU 18 9.957 14.735 -5.133 53 HD22 LEU 18 HD22 LEU 18 10.280 15.619 -6.627 54 HD23 LEU 18 HD23 LEU 18 11.161 16.026 -5.156 55 H LEU 19 HN LEU 19 14.971 11.729 -7.036 56 HA LEU 19 HA LEU 19 17.035 13.798 -7.114 57 HB2 LEU 19 HB2 LEU 19 16.713 11.176 -8.619 58 HB3 LEU 19 HB1 LEU 19 17.967 12.337 -9.007 59 HG LEU 19 HG LEU 19 18.893 12.057 -6.692 60 HD11 LEU 19 HD11 LEU 19 16.915 11.301 -5.496 61 HD12 LEU 19 HD12 LEU 19 18.231 10.146 -5.312 62 HD13 LEU 19 HD13 LEU 19 16.901 9.796 -6.419 63 HD21 LEU 19 HD21 LEU 19 18.758 9.505 -8.330 64 HD22 LEU 19 HD22 LEU 19 19.964 9.877 -7.094 65 HD23 LEU 19 HD23 LEU 19 19.888 10.840 -8.569 66 H HIS 20 HN HIS 20 15.583 15.482 -7.709 67 HA HIS 20 HA HIS 20 15.353 15.813 -10.585 68 HB2 HIS 20 HB2 HIS 20 12.954 15.267 -8.966 69 HB3 HIS 20 HB1 HIS 20 12.836 16.852 -9.724 70 HD1 HIS 20 HD1 HIS 20 13.089 13.193 -10.549 71 HD2 HIS 20 HD2 HIS 20 12.484 16.814 -12.491 72 HE1 HIS 20 HE1 HIS 20 12.425 12.592 -12.896 73 HE2 HIS 20 HE2 HIS 20 12.314 14.796 -14.110 74 H ASP 21 HN ASP 21 15.981 17.756 -11.122 75 HA ASP 21 HA ASP 21 16.724 19.788 -9.295 76 HB2 ASP 21 HB2 ASP 21 16.494 19.724 -12.327 77 HB3 ASP 21 HB1 ASP 21 17.070 21.141 -11.456 78 HA PRO 22 HA PRO 22 13.028 22.300 -8.750 79 HB2 PRO 22 HB2 PRO 22 14.885 24.584 -9.424 80 HB3 PRO 22 HB1 PRO 22 13.753 24.424 -8.073 81 HG2 PRO 22 HG2 PRO 22 16.352 24.068 -7.660 82 HG3 PRO 22 HG1 PRO 22 15.182 22.979 -6.881 83 HD2 PRO 22 HD2 PRO 22 16.936 22.491 -9.272 84 HD3 PRO 22 HD1 PRO 22 16.478 21.381 -7.960 85 H MET 23 HN MET 23 15.119 23.048 -11.529 86 HA MET 23 HA MET 23 12.823 24.039 -13.096 87 HB2 MET 23 HB2 MET 23 15.800 24.149 -13.747 88 HB3 MET 23 HB1 MET 23 14.512 24.957 -14.631 89 HG2 MET 23 HG2 MET 23 14.032 26.340 -12.624 90 HG3 MET 23 HG1 MET 23 15.365 25.550 -11.782 91 HE1 MET 23 HE1 MET 23 15.852 28.451 -15.353 92 HE2 MET 23 HE2 MET 23 14.319 28.112 -14.552 93 HE3 MET 23 HE3 MET 23 15.086 26.874 -15.547 94 H THR 24 HN THR 24 15.724 22.331 -14.223 95 HA THR 24 HA THR 24 14.350 19.878 -14.956 96 HB THR 24 HB THR 24 15.525 21.706 -17.126 97 HG1 THR 24 HG1 THR 24 12.901 20.968 -16.415 98 HG21 THR 24 HG21 THR 24 14.428 18.884 -17.416 99 HG22 THR 24 HG22 THR 24 16.118 19.361 -17.607 100 HG23 THR 24 HG23 THR 24 14.905 19.945 -18.746 101 H LEU 25 HN LEU 25 17.249 21.809 -15.818 102 HA LEU 25 HA LEU 25 18.752 20.327 -13.792 103 HB2 LEU 25 HB2 LEU 25 19.349 19.488 -16.144 104 HB3 LEU 25 HB1 LEU 25 20.000 21.080 -16.474 105 HG LEU 25 HG LEU 25 21.043 19.464 -14.114 106 HD11 LEU 25 HD11 LEU 25 21.211 17.973 -16.051 107 HD12 LEU 25 HD12 LEU 25 22.791 18.489 -15.475 108 HD13 LEU 25 HD13 LEU 25 22.110 19.209 -16.936 109 HD21 LEU 25 HD21 LEU 25 22.389 21.587 -15.832 110 HD22 LEU 25 HD22 LEU 25 23.114 20.752 -14.454 111 HD23 LEU 25 HD23 LEU 25 21.738 21.824 -14.208 112 H ASP 26 HN ASP 26 18.980 21.862 -12.336 113 HA ASP 26 HA ASP 26 19.362 24.689 -13.099 114 HB2 ASP 26 HB2 ASP 26 17.500 24.102 -11.492 115 HB3 ASP 26 HB1 ASP 26 18.693 23.470 -10.365 116 H MET 27 HN MET 27 21.511 25.166 -13.319 117 HA MET 27 HA MET 27 23.617 23.497 -12.490 118 HB2 MET 27 HB2 MET 27 23.622 26.386 -13.432 119 HB3 MET 27 HB1 MET 27 25.090 25.449 -13.190 120 HG2 MET 27 HG2 MET 27 24.396 23.860 -14.923 121 HG3 MET 27 HG1 MET 27 22.881 24.749 -15.144 122 HE1 MET 27 HE1 MET 27 25.135 24.031 -17.480 123 HE2 MET 27 HE2 MET 27 25.026 25.523 -18.423 124 HE3 MET 27 HE3 MET 27 23.564 24.745 -17.801 125 H ASP 28 HN ASP 28 22.118 26.215 -10.820 126 HA ASP 28 HA ASP 28 24.190 26.662 -8.869 127 HB2 ASP 28 HB2 ASP 28 22.430 28.359 -9.432 128 HB3 ASP 28 HB1 ASP 28 21.205 27.312 -8.738 129 H ALA 29 HN ALA 29 21.234 24.713 -9.011 130 HA ALA 29 HA ALA 29 21.376 23.642 -6.363 131 HB1 ALA 29 HB1 ALA 29 19.667 22.045 -7.128 132 HB2 ALA 29 HB2 ALA 29 19.921 22.550 -8.802 133 HB3 ALA 29 HB3 ALA 29 19.261 23.690 -7.626 134 H VAL 30 HN VAL 30 22.465 22.528 -9.541 135 HA VAL 30 HA VAL 30 23.357 19.961 -8.769 136 HB VAL 30 HB VAL 30 24.063 21.695 -11.179 137 HG11 VAL 30 HG11 VAL 30 24.791 18.779 -10.733 138 HG12 VAL 30 HG12 VAL 30 25.922 20.132 -10.821 139 HG13 VAL 30 HG13 VAL 30 24.989 19.670 -12.243 140 HG21 VAL 30 HG21 VAL 30 22.581 20.143 -12.405 141 HG22 VAL 30 HG22 VAL 30 21.722 20.964 -11.102 142 HG23 VAL 30 HG23 VAL 30 22.230 19.286 -10.900 143 H LEU 31 HN LEU 31 24.971 23.123 -8.922 144 HA LEU 31 HA LEU 31 27.612 22.200 -8.320 145 HB2 LEU 31 HB2 LEU 31 27.156 24.396 -9.411 146 HB3 LEU 31 HB1 LEU 31 26.421 24.973 -7.928 147 HG LEU 31 HG LEU 31 28.616 24.814 -6.756 148 HD11 LEU 31 HD11 LEU 31 29.732 23.973 -9.448 149 HD12 LEU 31 HD12 LEU 31 29.619 22.968 -7.999 150 HD13 LEU 31 HD13 LEU 31 30.679 24.375 -8.011 151 HD21 LEU 31 HD21 LEU 31 27.996 26.933 -7.821 152 HD22 LEU 31 HD22 LEU 31 28.751 26.414 -9.331 153 HD23 LEU 31 HD23 LEU 31 29.740 26.676 -7.893 154 H SER 32 HN SER 32 25.028 23.671 -6.350 155 HA SER 32 HA SER 32 26.482 23.743 -3.915 156 HB2 SER 32 HB2 SER 32 24.510 25.165 -4.397 157 HB3 SER 32 HB1 SER 32 23.469 23.749 -4.360 158 HG SER 32 HG SER 32 23.908 25.238 -2.382 159 H ASP 33 HN ASP 33 24.029 21.428 -5.114 160 HA ASP 33 HA ASP 33 24.029 19.764 -2.804 161 HB2 ASP 33 HB2 ASP 33 22.926 19.397 -5.607 162 HB3 ASP 33 HB1 ASP 33 22.839 18.098 -4.418 163 H PHE 34 HN PHE 34 25.865 19.675 -5.846 164 HA PHE 34 HA PHE 34 27.113 17.165 -5.491 165 HB2 PHE 34 HB2 PHE 34 27.362 18.446 -7.595 166 HB3 PHE 34 HB1 PHE 34 28.292 19.685 -6.756 167 HD1 PHE 34 HD2 PHE 34 28.337 16.155 -7.919 168 HD2 PHE 34 HD1 PHE 34 30.640 19.357 -6.288 169 HE1 PHE 34 HE2 PHE 34 30.400 14.918 -8.364 170 HE2 PHE 34 HE1 PHE 34 32.701 18.099 -6.744 171 HZ PHE 34 HZ PHE 34 32.577 15.886 -7.783 172 H VAL 35 HN VAL 35 28.235 20.417 -4.554 173 HA VAL 35 HA VAL 35 30.524 19.737 -3.096 174 HB VAL 35 HB VAL 35 28.665 22.145 -2.916 175 HG11 VAL 35 HG11 VAL 35 29.856 22.024 -0.766 176 HG12 VAL 35 HG12 VAL 35 30.455 23.372 -1.734 177 HG13 VAL 35 HG13 VAL 35 31.397 21.885 -1.616 178 HG21 VAL 35 HG21 VAL 35 29.828 21.862 -5.070 179 HG22 VAL 35 HG22 VAL 35 31.380 21.800 -4.232 180 HG23 VAL 35 HG23 VAL 35 30.428 23.288 -4.215 181 H ARG 36 HN ARG 36 27.160 19.926 -2.049 182 HA ARG 36 HA ARG 36 27.661 19.730 0.775 183 HB2 ARG 36 HB2 ARG 36 25.669 20.874 -0.168 184 HB3 ARG 36 HB1 ARG 36 25.080 19.343 -0.801 185 HG2 ARG 36 HG2 ARG 36 24.773 18.487 1.479 186 HG3 ARG 36 HG1 ARG 36 25.467 19.964 2.151 187 HD2 ARG 36 HD2 ARG 36 23.588 21.273 1.222 188 HD3 ARG 36 HD1 ARG 36 22.900 19.799 0.535 189 HE ARG 36 HE ARG 36 22.635 18.983 2.857 190 HH11 ARG 36 HH11 ARG 36 22.977 22.467 2.448 191 HH12 ARG 36 HH12 ARG 36 22.061 22.834 3.873 192 HH21 ARG 36 HH21 ARG 36 21.455 19.504 4.730 193 HH22 ARG 36 HH22 ARG 36 21.217 21.168 5.164 194 H SER 37 HN SER 37 27.080 17.423 -1.822 195 HA SER 37 HA SER 37 26.513 15.205 0.007 196 HB2 SER 37 HB2 SER 37 25.216 15.429 -2.108 197 HB3 SER 37 HB1 SER 37 26.696 15.212 -3.044 198 HG SER 37 HG SER 37 25.896 13.283 -1.135 199 H THR 38 HN THR 38 29.147 16.373 -2.033 200 HA THR 38 HA THR 38 30.652 13.855 -1.815 201 HB THR 38 HB THR 38 32.151 14.820 -3.539 202 HG1 THR 38 HG1 THR 38 30.657 16.903 -4.334 203 HG21 THR 38 HG21 THR 38 30.174 13.541 -4.293 204 HG22 THR 38 HG22 THR 38 30.585 14.827 -5.427 205 HG23 THR 38 HG23 THR 38 29.223 15.028 -4.323 206 H GLY 39 HN GLY 39 30.757 17.227 -0.808 207 HA2 GLY 39 HA2 GLY 39 32.107 18.272 0.749 208 HA3 GLY 39 HA1 GLY 39 33.034 16.795 0.958 209 H ALA 40 HN ALA 40 32.535 17.940 -2.258 210 HA ALA 40 HA ALA 40 35.350 18.568 -2.659 211 HB1 ALA 40 HB1 ALA 40 34.716 18.846 -5.023 212 HB2 ALA 40 HB2 ALA 40 33.005 18.713 -4.601 213 HB3 ALA 40 HB3 ALA 40 34.080 17.331 -4.382 214 H GLU 41 HN GLU 41 36.155 20.618 -3.339 215 HA GLU 41 HA GLU 41 34.848 22.941 -2.207 216 HB2 GLU 41 HB2 GLU 41 36.877 24.103 -2.628 217 HB3 GLU 41 HB1 GLU 41 37.406 22.454 -2.320 218 HG2 GLU 41 HG2 GLU 41 37.487 22.111 -4.820 219 HG3 GLU 41 HG1 GLU 41 37.163 23.838 -4.999 220 HA PRO 42 HA PRO 42 32.443 24.499 -5.631 221 HB2 PRO 42 HB2 PRO 42 33.259 27.166 -5.903 222 HB3 PRO 42 HB1 PRO 42 32.153 26.580 -4.655 223 HG2 PRO 42 HG2 PRO 42 35.141 26.985 -4.488 224 HG3 PRO 42 HG1 PRO 42 33.889 27.514 -3.353 225 HD2 PRO 42 HD2 PRO 42 35.282 25.355 -2.790 226 HD3 PRO 42 HD1 PRO 42 33.519 25.315 -2.542 227 H GLY 43 HN GLY 43 35.897 25.347 -5.954 228 HA2 GLY 43 HA2 GLY 43 35.902 25.816 -8.761 229 HA3 GLY 43 HA1 GLY 43 37.309 25.470 -7.762 230 H LEU 44 HN LEU 44 36.879 22.989 -6.834 231 HA LEU 44 HA LEU 44 37.554 21.222 -8.924 232 HB2 LEU 44 HB2 LEU 44 38.154 20.845 -6.530 233 HB3 LEU 44 HB1 LEU 44 36.462 20.586 -6.148 234 HG LEU 44 HG LEU 44 36.511 18.551 -7.686 235 HD11 LEU 44 HD11 LEU 44 39.504 19.004 -7.639 236 HD12 LEU 44 HD12 LEU 44 38.445 19.139 -9.048 237 HD13 LEU 44 HD13 LEU 44 38.677 17.576 -8.270 238 HD21 LEU 44 HD21 LEU 44 36.635 18.305 -5.245 239 HD22 LEU 44 HD22 LEU 44 38.390 18.467 -5.304 240 HD23 LEU 44 HD23 LEU 44 37.606 17.077 -6.059 241 H ALA 45 HN ALA 45 34.553 21.891 -7.242 242 HA ALA 45 HA ALA 45 32.940 19.801 -8.198 243 HB1 ALA 45 HB1 ALA 45 31.058 21.173 -7.375 244 HB2 ALA 45 HB2 ALA 45 32.135 22.564 -7.223 245 HB3 ALA 45 HB3 ALA 45 32.382 21.140 -6.208 246 H ARG 46 HN ARG 46 33.008 23.223 -9.149 247 HA ARG 46 HA ARG 46 31.309 23.170 -11.348 248 HB2 ARG 46 HB2 ARG 46 31.805 25.299 -10.519 249 HB3 ARG 46 HB1 ARG 46 33.529 25.001 -10.435 250 HG2 ARG 46 HG2 ARG 46 32.260 25.180 -13.161 251 HG3 ARG 46 HG1 ARG 46 32.455 26.667 -12.234 252 HD2 ARG 46 HD2 ARG 46 34.855 26.359 -12.109 253 HD3 ARG 46 HD1 ARG 46 34.743 24.742 -12.819 254 HE ARG 46 HE ARG 46 33.675 26.758 -14.548 255 HH11 ARG 46 HH11 ARG 46 36.752 25.384 -13.511 256 HH12 ARG 46 HH12 ARG 46 37.546 25.768 -15.005 257 HH21 ARG 46 HH21 ARG 46 34.702 27.164 -16.504 258 HH22 ARG 46 HH22 ARG 46 36.373 26.760 -16.713 259 H ASP 47 HN ASP 47 34.787 22.563 -11.205 260 HA ASP 47 HA ASP 47 35.309 22.452 -13.985 261 HB2 ASP 47 HB2 ASP 47 37.130 22.714 -12.342 262 HB3 ASP 47 HB1 ASP 47 36.781 21.125 -11.668 263 H LEU 48 HN LEU 48 34.683 19.834 -11.605 264 HA LEU 48 HA LEU 48 34.750 17.643 -13.388 265 HB2 LEU 48 HB2 LEU 48 33.221 17.950 -10.766 266 HB3 LEU 48 HB1 LEU 48 33.371 16.433 -11.635 267 HG LEU 48 HG LEU 48 35.698 17.996 -10.445 268 HD11 LEU 48 HD11 LEU 48 34.392 15.441 -9.466 269 HD12 LEU 48 HD12 LEU 48 34.314 17.025 -8.689 270 HD13 LEU 48 HD13 LEU 48 35.854 16.177 -8.801 271 HD21 LEU 48 HD21 LEU 48 37.057 16.023 -10.985 272 HD22 LEU 48 HD22 LEU 48 36.383 16.757 -12.437 273 HD23 LEU 48 HD23 LEU 48 35.673 15.275 -11.786 274 H LEU 49 HN LEU 49 32.054 19.615 -12.210 275 HA LEU 49 HA LEU 49 29.928 18.284 -13.407 276 HB2 LEU 49 HB2 LEU 49 30.277 21.169 -12.555 277 HB3 LEU 49 HB1 LEU 49 28.751 20.575 -13.199 278 HG LEU 49 HG LEU 49 30.117 19.402 -10.739 279 HD11 LEU 49 HD11 LEU 49 28.448 20.540 -9.385 280 HD12 LEU 49 HD12 LEU 49 27.787 21.329 -10.820 281 HD13 LEU 49 HD13 LEU 49 29.428 21.699 -10.283 282 HD21 LEU 49 HD21 LEU 49 27.359 18.940 -11.921 283 HD22 LEU 49 HD22 LEU 49 27.924 18.310 -10.367 284 HD23 LEU 49 HD23 LEU 49 28.698 17.790 -11.858 285 H GLU 50 HN GLU 50 31.635 21.202 -14.685 286 HA GLU 50 HA GLU 50 30.279 21.375 -17.124 287 HB2 GLU 50 HB2 GLU 50 33.112 22.217 -16.415 288 HB3 GLU 50 HB1 GLU 50 32.363 22.589 -17.965 289 HG2 GLU 50 HG2 GLU 50 30.494 23.726 -16.592 290 HG3 GLU 50 HG1 GLU 50 31.596 23.610 -15.222 291 H GLY 51 HN GLY 51 33.023 19.371 -16.220 292 HA2 GLY 51 HA2 GLY 51 33.647 18.331 -18.797 293 HA3 GLY 51 HA1 GLY 51 34.105 17.639 -17.245 294 H LYS 52 HN LYS 52 31.252 17.442 -16.363 295 HA LYS 52 HA LYS 52 30.541 14.954 -17.788 296 HB2 LYS 52 HB2 LYS 52 29.341 15.833 -15.136 297 HB3 LYS 52 HB1 LYS 52 29.426 14.212 -15.812 298 HG2 LYS 52 HG2 LYS 52 31.685 15.822 -14.617 299 HG3 LYS 52 HG1 LYS 52 30.942 14.383 -13.947 300 HD2 LYS 52 HD2 LYS 52 32.029 12.953 -15.463 301 HD3 LYS 52 HD1 LYS 52 32.340 14.243 -16.628 302 HE2 LYS 52 HE2 LYS 52 34.036 15.213 -15.134 303 HE3 LYS 52 HE1 LYS 52 33.676 13.992 -13.910 304 HZ1 LYS 52 HZ1 LYS 52 34.474 12.284 -15.360 305 HZ2 LYS 52 HZ2 LYS 52 35.660 13.484 -15.225 306 HZ3 LYS 52 HZ3 LYS 52 34.715 13.387 -16.620 307 H ASN 53 HN ASN 53 29.838 17.937 -18.403 308 HA ASN 53 HA ASN 53 28.215 19.080 -19.499 309 HB2 ASN 53 HB2 ASN 53 26.701 16.434 -19.569 310 HB3 ASN 53 HB1 ASN 53 26.282 17.866 -20.501 311 HD21 ASN 53 HD21 ASN 53 28.436 15.170 -20.223 312 HD22 ASN 53 HD22 ASN 53 29.219 15.366 -21.749 313 H TRP 54 HN TRP 54 28.202 18.743 -16.596 314 HA TRP 54 HA TRP 54 27.245 19.520 -14.744 315 HB2 TRP 54 HB2 TRP 54 25.324 20.771 -16.707 316 HB3 TRP 54 HB1 TRP 54 25.087 20.943 -14.979 317 HD1 TRP 54 HD1 TRP 54 27.401 22.116 -17.795 318 HE1 TRP 54 HE1 TRP 54 28.780 24.104 -16.931 319 HE3 TRP 54 HE3 TRP 54 26.092 21.929 -12.856 320 HZ2 TRP 54 HZ2 TRP 54 29.292 25.401 -14.470 321 HZ3 TRP 54 HZ3 TRP 54 27.076 23.568 -11.302 322 HH2 TRP 54 HH2 TRP 54 28.643 25.271 -12.094 323 H ASP 55 HN ASP 55 26.323 16.933 -16.179 324 HA ASP 55 HA ASP 55 23.871 16.214 -14.901 325 HB2 ASP 55 HB2 ASP 55 26.153 14.533 -16.036 326 HB3 ASP 55 HB1 ASP 55 24.723 13.816 -15.299 327 H LEU 56 HN LEU 56 23.692 16.392 -12.790 328 HA LEU 56 HA LEU 56 25.635 16.538 -10.825 329 HB2 LEU 56 HB2 LEU 56 23.296 17.222 -10.456 330 HB3 LEU 56 HB1 LEU 56 22.762 15.556 -10.592 331 HG LEU 56 HG LEU 56 24.046 15.025 -8.470 332 HD11 LEU 56 HD11 LEU 56 24.789 16.874 -7.025 333 HD12 LEU 56 HD12 LEU 56 24.422 18.032 -8.306 334 HD13 LEU 56 HD13 LEU 56 25.692 16.829 -8.540 335 HD21 LEU 56 HD21 LEU 56 21.626 15.430 -8.398 336 HD22 LEU 56 HD22 LEU 56 21.900 17.163 -8.206 337 HD23 LEU 56 HD23 LEU 56 22.404 16.044 -6.938 338 H THR 57 HN THR 57 23.623 13.701 -11.617 339 HA THR 57 HA THR 57 24.710 11.906 -9.766 340 HB THR 57 HB THR 57 23.358 11.228 -12.410 341 HG1 THR 57 HG1 THR 57 21.481 11.202 -10.803 342 HG21 THR 57 HG21 THR 57 22.543 9.226 -11.224 343 HG22 THR 57 HG22 THR 57 23.445 9.696 -9.784 344 HG23 THR 57 HG23 THR 57 24.310 9.250 -11.257 345 H ALA 58 HN ALA 58 25.638 12.593 -13.119 346 HA ALA 58 HA ALA 58 27.471 10.461 -13.510 347 HB1 ALA 58 HB1 ALA 58 27.422 13.185 -14.846 348 HB2 ALA 58 HB2 ALA 58 26.526 11.763 -15.378 349 HB3 ALA 58 HB3 ALA 58 28.288 11.756 -15.433 350 H ALA 59 HN ALA 59 27.848 13.783 -12.340 351 HA ALA 59 HA ALA 59 30.703 13.713 -12.051 352 HB1 ALA 59 HB1 ALA 59 30.422 15.843 -10.865 353 HB2 ALA 59 HB2 ALA 59 28.676 15.592 -10.802 354 HB3 ALA 59 HB3 ALA 59 29.479 15.820 -12.356 355 H LEU 60 HN LEU 60 27.959 13.059 -9.865 356 HA LEU 60 HA LEU 60 29.336 12.816 -7.404 357 HB2 LEU 60 HB2 LEU 60 26.849 11.354 -8.396 358 HB3 LEU 60 HB1 LEU 60 27.410 11.304 -6.731 359 HG LEU 60 HG LEU 60 26.424 13.797 -8.180 360 HD11 LEU 60 HD11 LEU 60 24.454 13.650 -6.735 361 HD12 LEU 60 HD12 LEU 60 25.047 12.130 -6.056 362 HD13 LEU 60 HD13 LEU 60 24.607 12.225 -7.763 363 HD21 LEU 60 HD21 LEU 60 28.090 14.371 -6.485 364 HD22 LEU 60 HD22 LEU 60 27.202 13.451 -5.268 365 HD23 LEU 60 HD23 LEU 60 26.482 14.894 -5.986 366 H SER 61 HN SER 61 28.517 10.464 -9.913 367 HA SER 61 HA SER 61 29.715 8.184 -8.696 368 HB2 SER 61 HB2 SER 61 27.873 7.985 -10.345 369 HB3 SER 61 HB1 SER 61 28.930 8.612 -11.612 370 HG SER 61 HG SER 61 29.920 6.452 -10.186 371 H ASP 62 HN ASP 62 30.895 10.642 -10.919 372 HA ASP 62 HA ASP 62 33.317 9.324 -11.695 373 HB2 ASP 62 HB2 ASP 62 32.394 11.200 -13.030 374 HB3 ASP 62 HB1 ASP 62 32.627 12.297 -11.673 375 H TYR 63 HN TYR 63 32.509 11.765 -9.250 376 HA TYR 63 HA TYR 63 35.031 12.327 -8.211 377 HB2 TYR 63 HB2 TYR 63 33.021 13.675 -7.766 378 HB3 TYR 63 HB1 TYR 63 32.308 12.357 -6.851 379 HD1 TYR 63 HD1 TYR 63 34.987 14.943 -6.817 380 HD2 TYR 63 HD2 TYR 63 32.894 12.003 -4.524 381 HE1 TYR 63 HE1 TYR 63 35.983 15.835 -4.756 382 HE2 TYR 63 HE2 TYR 63 33.886 12.901 -2.464 383 HH TYR 63 HH TYR 63 35.528 15.893 -2.363 384 H GLU 64 HN GLU 64 32.616 9.937 -7.091 385 HA GLU 64 HA GLU 64 34.229 8.912 -4.975 386 HB2 GLU 64 HB2 GLU 64 32.553 7.180 -4.713 387 HB3 GLU 64 HB1 GLU 64 31.745 8.717 -5.003 388 HG2 GLU 64 HG2 GLU 64 31.412 8.047 -7.382 389 HG3 GLU 64 HG1 GLU 64 32.136 6.482 -7.015 390 H GLN 65 HN GLN 65 33.832 8.043 -8.396 391 HA GLN 65 HA GLN 65 35.025 5.477 -8.352 392 HB2 GLN 65 HB2 GLN 65 33.618 6.331 -10.227 393 HB3 GLN 65 HB1 GLN 65 34.894 7.453 -10.677 394 HG2 GLN 65 HG2 GLN 65 34.945 5.570 -12.180 395 HG3 GLN 65 HG1 GLN 65 36.376 5.492 -11.152 396 HE21 GLN 65 HE21 GLN 65 33.291 4.022 -11.906 397 HE22 GLN 65 HE22 GLN 65 33.548 2.556 -11.030 398 H LEU 66 HN LEU 66 36.417 8.704 -8.975 399 HA LEU 66 HA LEU 66 39.068 7.725 -9.483 400 HB2 LEU 66 HB2 LEU 66 39.767 10.082 -9.470 401 HB3 LEU 66 HB1 LEU 66 38.354 9.822 -10.463 402 HG LEU 66 HG LEU 66 37.049 10.702 -8.299 403 HD11 LEU 66 HD11 LEU 66 39.742 12.029 -7.917 404 HD12 LEU 66 HD12 LEU 66 38.982 10.875 -6.817 405 HD13 LEU 66 HD13 LEU 66 38.242 12.452 -7.085 406 HD21 LEU 66 HD21 LEU 66 37.082 12.988 -9.215 407 HD22 LEU 66 HD22 LEU 66 36.945 11.783 -10.493 408 HD23 LEU 66 HD23 LEU 66 38.493 12.579 -10.198 409 H ARG 67 HN ARG 67 37.252 8.623 -6.638 410 HA ARG 67 HA ARG 67 39.544 8.492 -4.846 411 HB2 ARG 67 HB2 ARG 67 36.560 8.731 -4.329 412 HB3 ARG 67 HB1 ARG 67 37.760 8.644 -3.040 413 HG2 ARG 67 HG2 ARG 67 38.833 10.703 -3.936 414 HG3 ARG 67 HG1 ARG 67 37.560 10.803 -5.156 415 HD2 ARG 67 HD2 ARG 67 37.113 12.304 -3.256 416 HD3 ARG 67 HD1 ARG 67 35.867 11.059 -3.393 417 HE ARG 67 HE ARG 67 37.755 10.065 -1.635 418 HH11 ARG 67 HH11 ARG 67 35.626 12.872 -1.635 419 HH12 ARG 67 HH12 ARG 67 35.472 12.886 0.087 420 HH21 ARG 67 HH21 ARG 67 37.556 10.114 0.572 421 HH22 ARG 67 HH22 ARG 67 36.593 11.326 1.345 422 H GLN 68 HN GLN 68 37.450 6.133 -6.270 423 HA GLN 68 HA GLN 68 37.646 4.121 -4.231 424 HB2 GLN 68 HB2 GLN 68 37.076 3.853 -7.222 425 HB3 GLN 68 HB1 GLN 68 37.074 2.486 -6.115 426 HG2 GLN 68 HG2 GLN 68 35.183 4.850 -6.079 427 HG3 GLN 68 HG1 GLN 68 34.802 3.192 -6.532 428 HE21 GLN 68 HE21 GLN 68 35.462 5.363 -3.872 429 HE22 GLN 68 HE22 GLN 68 34.924 4.306 -2.618 430 H VAL 69 HN VAL 69 39.349 4.634 -7.310 431 HA VAL 69 HA VAL 69 41.260 3.876 -8.210 432 HB VAL 69 HB VAL 69 42.336 3.694 -5.371 433 HG11 VAL 69 HG11 VAL 69 43.793 2.572 -6.999 434 HG12 VAL 69 HG12 VAL 69 44.554 4.049 -6.407 435 HG13 VAL 69 HG13 VAL 69 43.814 4.024 -8.008 436 HG21 VAL 69 HG21 VAL 69 41.403 5.944 -5.764 437 HG22 VAL 69 HG22 VAL 69 42.363 6.099 -7.238 438 HG23 VAL 69 HG23 VAL 69 43.165 6.002 -5.669 439 H HIS 70 HN HIS 70 40.922 1.995 -9.168 440 HA HIS 70 HA HIS 70 39.832 -0.290 -7.951 441 HB2 HIS 70 HB2 HIS 70 41.228 -0.101 -10.653 442 HB3 HIS 70 HB1 HIS 70 40.166 -1.412 -10.140 443 HD1 HIS 70 HD1 HIS 70 40.146 1.773 -11.849 444 HD2 HIS 70 HD2 HIS 70 37.407 -0.457 -9.665 445 HE1 HIS 70 HE1 HIS 70 37.904 2.745 -12.404 446 HE2 HIS 70 HE2 HIS 70 36.286 1.496 -10.940 447 H THR 71 HN THR 71 43.155 0.577 -8.641 448 HA THR 71 HA THR 71 44.304 -2.007 -8.148 449 HB THR 71 HB THR 71 46.477 -0.733 -8.157 450 HG1 THR 71 HG1 THR 71 46.482 1.381 -8.023 451 HG21 THR 71 HG21 THR 71 45.506 -1.529 -10.293 452 HG22 THR 71 HG22 THR 71 46.375 -0.007 -10.504 453 HG23 THR 71 HG23 THR 71 44.611 -0.014 -10.447 454 H ALA 72 HN ALA 72 43.888 0.967 -6.229 455 HA ALA 72 HA ALA 72 45.076 -0.193 -3.819 456 HB1 ALA 72 HB1 ALA 72 43.745 2.518 -4.225 457 HB2 ALA 72 HB2 ALA 72 45.474 2.190 -4.331 458 HB3 ALA 72 HB3 ALA 72 44.640 2.003 -2.790 459 H ASN 73 HN ASN 73 43.428 -1.942 -4.088 460 HA ASN 73 HA ASN 73 41.642 -3.139 -3.450 461 HB2 ASN 73 HB2 ASN 73 42.502 -2.463 -1.198 462 HB3 ASN 73 HB1 ASN 73 41.404 -1.091 -1.201 463 HD21 ASN 73 HD21 ASN 73 39.110 -1.520 -1.075 464 HD22 ASN 73 HD22 ASN 73 38.529 -3.012 -0.428 465 H LEU 74 HN LEU 74 40.370 -2.750 -5.273 466 HA LEU 74 HA LEU 74 38.471 -0.655 -5.547 467 HB2 LEU 74 HB2 LEU 74 37.595 -1.816 -7.416 468 HB3 LEU 74 HB1 LEU 74 39.308 -2.169 -7.421 469 HG LEU 74 HG LEU 74 37.141 -4.100 -6.477 470 HD11 LEU 74 HD11 LEU 74 38.681 -4.071 -9.085 471 HD12 LEU 74 HD12 LEU 74 36.971 -3.684 -8.870 472 HD13 LEU 74 HD13 LEU 74 37.545 -5.319 -8.557 473 HD21 LEU 74 HD21 LEU 74 40.094 -4.608 -6.954 474 HD22 LEU 74 HD22 LEU 74 38.883 -5.820 -6.513 475 HD23 LEU 74 HD23 LEU 74 39.296 -4.533 -5.382 476 HA PRO 75 HA PRO 75 34.905 -1.746 -2.939 477 HB2 PRO 75 HB2 PRO 75 32.879 -2.046 -4.942 478 HB3 PRO 75 HB1 PRO 75 33.268 -0.579 -4.040 479 HG2 PRO 75 HG2 PRO 75 34.194 -1.434 -6.766 480 HG3 PRO 75 HG1 PRO 75 33.773 0.188 -6.180 481 HD2 PRO 75 HD2 PRO 75 36.321 -0.488 -6.523 482 HD3 PRO 75 HD1 PRO 75 35.852 0.461 -5.088 483 H HIS 76 HN HIS 76 35.441 -3.741 -5.811 484 HA HIS 76 HA HIS 76 35.528 -5.959 -6.200 485 HB2 HIS 76 HB2 HIS 76 36.990 -5.757 -4.053 486 HB3 HIS 76 HB1 HIS 76 35.630 -6.467 -3.197 487 HD1 HIS 76 HD1 HIS 76 38.709 -7.501 -4.255 488 HD2 HIS 76 HD2 HIS 76 34.909 -9.027 -4.988 489 HE1 HIS 76 HE1 HIS 76 39.058 -9.911 -4.882 490 HE2 HIS 76 HE2 HIS 76 36.736 -10.851 -5.150 491 H VAL 77 HN VAL 77 33.136 -5.010 -6.506 492 HA VAL 77 HA VAL 77 31.068 -6.271 -4.970 493 HB VAL 77 HB VAL 77 29.502 -5.350 -6.697 494 HG11 VAL 77 HG11 VAL 77 30.146 -3.989 -4.746 495 HG12 VAL 77 HG12 VAL 77 29.898 -2.971 -6.166 496 HG13 VAL 77 HG13 VAL 77 31.536 -3.353 -5.635 497 HG21 VAL 77 HG21 VAL 77 30.942 -5.507 -8.708 498 HG22 VAL 77 HG22 VAL 77 32.010 -4.268 -8.050 499 HG23 VAL 77 HG23 VAL 77 30.351 -3.855 -8.491 500 H PHE 78 HN PHE 78 30.368 -8.269 -5.165 501 HA PHE 78 HA PHE 78 31.360 -10.151 -7.071 502 HB2 PHE 78 HB2 PHE 78 30.741 -10.782 -4.732 503 HB3 PHE 78 HB1 PHE 78 29.056 -10.416 -5.071 504 HD1 PHE 78 HD2 PHE 78 31.845 -12.748 -5.843 505 HD2 PHE 78 HD1 PHE 78 27.640 -12.046 -6.183 506 HE1 PHE 78 HE2 PHE 78 31.515 -15.069 -6.578 507 HE2 PHE 78 HE1 PHE 78 27.316 -14.374 -6.914 508 HZ PHE 78 HZ PHE 78 29.255 -15.881 -7.114 509 H ASN 79 HN ASN 79 30.767 -9.978 -9.114 510 HA ASN 79 HA ASN 79 29.641 -9.853 -11.042 511 HB2 ASN 79 HB2 ASN 79 28.275 -11.705 -10.139 512 HB3 ASN 79 HB1 ASN 79 27.183 -10.543 -9.400 513 HD21 ASN 79 HD21 ASN 79 28.262 -11.943 -12.414 514 HD22 ASN 79 HD22 ASN 79 26.919 -11.426 -13.370 515 H GLU 80 HN GLU 80 27.055 -8.561 -8.932 516 HA GLU 80 HA GLU 80 25.803 -6.697 -8.967 517 HB2 GLU 80 HB2 GLU 80 27.928 -5.680 -8.143 518 HB3 GLU 80 HB1 GLU 80 28.376 -5.281 -9.796 519 HG2 GLU 80 HG2 GLU 80 26.352 -3.820 -9.939 520 HG3 GLU 80 HG1 GLU 80 26.008 -4.176 -8.250 521 H GLY 81 HN GLY 81 24.506 -7.475 -10.675 522 HA2 GLY 81 HA2 GLY 81 24.230 -5.715 -12.904 523 HA3 GLY 81 HA1 GLY 81 24.901 -7.262 -13.418 524 H ARG 82 HN ARG 82 22.184 -5.764 -13.640 525 HA ARG 82 HA ARG 82 20.395 -7.966 -12.779 526 HB2 ARG 82 HB2 ARG 82 19.726 -5.077 -13.482 527 HB3 ARG 82 HB1 ARG 82 18.557 -6.302 -12.993 528 HG2 ARG 82 HG2 ARG 82 19.658 -6.455 -10.770 529 HG3 ARG 82 HG1 ARG 82 20.814 -5.213 -11.261 530 HD2 ARG 82 HD2 ARG 82 17.801 -4.835 -11.044 531 HD3 ARG 82 HD1 ARG 82 18.987 -4.299 -9.851 532 HE ARG 82 HE ARG 82 19.839 -3.082 -12.109 533 HH11 ARG 82 HH11 ARG 82 16.674 -3.143 -10.556 534 HH12 ARG 82 HH12 ARG 82 16.235 -1.575 -11.155 535 HH21 ARG 82 HH21 ARG 82 19.254 -1.027 -12.847 536 HH22 ARG 82 HH22 ARG 82 17.699 -0.372 -12.444 537 H GLY 83 HN GLY 83 21.341 -9.107 -14.683 538 HA2 GLY 83 HA2 GLY 83 20.174 -8.305 -17.290 539 HA3 GLY 83 HA1 GLY 83 21.508 -9.423 -17.050 Start of MODEL 19 1 H1 SER 11 HT1 SER 11 -5.880 8.541 -10.611 2 H2 SER 11 HT2 SER 11 -6.236 6.891 -10.621 3 H3 SER 11 HT3 SER 11 -6.507 7.823 -12.004 4 HA SER 11 HA SER 11 -3.880 7.269 -10.784 5 HB2 SER 11 HB2 SER 11 -4.855 5.272 -11.887 6 HB3 SER 11 HB1 SER 11 -5.123 6.207 -13.358 7 HG SER 11 HG SER 11 -3.207 5.475 -13.844 8 H ALA 12 HN ALA 12 -2.904 9.235 -10.928 9 HA ALA 12 HA ALA 12 -3.066 10.931 -13.289 10 HB1 ALA 12 HB1 ALA 12 -1.270 11.152 -10.838 11 HB2 ALA 12 HB2 ALA 12 -2.822 11.960 -11.054 12 HB3 ALA 12 HB3 ALA 12 -1.460 12.378 -12.095 13 H GLU 13 HN GLU 13 -2.435 9.159 -14.717 14 HA GLU 13 HA GLU 13 0.447 8.472 -14.756 15 HB2 GLU 13 HB2 GLU 13 -1.547 6.701 -14.680 16 HB3 GLU 13 HB1 GLU 13 -1.680 7.041 -16.398 17 HG2 GLU 13 HG2 GLU 13 0.798 5.996 -14.982 18 HG3 GLU 13 HG1 GLU 13 -0.343 5.015 -15.896 19 H CYS 14 HN CYS 14 1.605 9.629 -16.169 20 HA CYS 14 HA CYS 14 0.478 10.585 -18.713 21 HB2 CYS 14 HB2 CYS 14 0.117 12.409 -17.064 22 HB3 CYS 14 HB1 CYS 14 1.836 12.413 -16.677 23 HG CYS 14 HG CYS 14 2.095 14.445 -18.250 24 H TRP 15 HN TRP 15 2.139 11.399 -20.198 25 HA TRP 15 HA TRP 15 4.489 9.692 -20.217 26 HB2 TRP 15 HB2 TRP 15 3.564 11.778 -22.246 27 HB3 TRP 15 HB1 TRP 15 4.841 10.597 -22.501 28 HD1 TRP 15 HD1 TRP 15 4.083 8.092 -23.107 29 HE1 TRP 15 HE1 TRP 15 1.843 7.106 -23.884 30 HE3 TRP 15 HE3 TRP 15 0.999 11.999 -21.900 31 HZ2 TRP 15 HZ2 TRP 15 -0.857 7.852 -23.958 32 HZ3 TRP 15 HZ3 TRP 15 -1.412 11.772 -22.357 33 HH2 TRP 15 HH2 TRP 15 -2.318 9.737 -23.367 34 H ALA 16 HN ALA 16 5.237 10.879 -18.198 35 HA ALA 16 HA ALA 16 7.432 12.597 -18.768 36 HB1 ALA 16 HB1 ALA 16 5.683 14.353 -18.885 37 HB2 ALA 16 HB2 ALA 16 6.731 14.601 -17.488 38 HB3 ALA 16 HB3 ALA 16 5.118 13.915 -17.271 39 H ALA 17 HN ALA 17 5.082 11.788 -16.225 40 HA ALA 17 HA ALA 17 5.187 10.955 -14.147 41 HB1 ALA 17 HB1 ALA 17 6.539 9.112 -15.093 42 HB2 ALA 17 HB2 ALA 17 7.041 9.496 -13.446 43 HB3 ALA 17 HB3 ALA 17 8.014 10.043 -14.814 44 H LEU 18 HN LEU 18 6.323 11.203 -11.965 45 HA LEU 18 HA LEU 18 7.148 13.986 -11.673 46 HB2 LEU 18 HB2 LEU 18 6.330 11.846 -9.678 47 HB3 LEU 18 HB1 LEU 18 7.049 13.354 -9.146 48 HG LEU 18 HG LEU 18 4.669 13.553 -8.908 49 HD11 LEU 18 HD11 LEU 18 4.163 15.520 -10.255 50 HD12 LEU 18 HD12 LEU 18 5.512 15.157 -11.336 51 HD13 LEU 18 HD13 LEU 18 5.817 15.571 -9.645 52 HD21 LEU 18 HD21 LEU 18 3.931 11.796 -10.440 53 HD22 LEU 18 HD22 LEU 18 4.351 12.798 -11.831 54 HD23 LEU 18 HD23 LEU 18 3.057 13.298 -10.737 55 H LEU 19 HN LEU 19 9.155 14.616 -11.496 56 HA LEU 19 HA LEU 19 11.336 12.674 -11.075 57 HB2 LEU 19 HB2 LEU 19 11.415 15.487 -12.252 58 HB3 LEU 19 HB1 LEU 19 12.765 14.359 -12.179 59 HG LEU 19 HG LEU 19 10.233 14.020 -13.843 60 HD11 LEU 19 HD11 LEU 19 11.716 15.718 -14.756 61 HD12 LEU 19 HD12 LEU 19 11.685 14.293 -15.790 62 HD13 LEU 19 HD13 LEU 19 13.073 14.587 -14.736 63 HD21 LEU 19 HD21 LEU 19 11.000 11.838 -13.070 64 HD22 LEU 19 HD22 LEU 19 12.632 12.166 -13.659 65 HD23 LEU 19 HD23 LEU 19 11.292 12.012 -14.799 66 H HIS 20 HN HIS 20 13.210 13.485 -9.849 67 HA HIS 20 HA HIS 20 12.384 14.841 -7.376 68 HB2 HIS 20 HB2 HIS 20 14.558 14.003 -6.473 69 HB3 HIS 20 HB1 HIS 20 13.563 12.710 -7.131 70 HD1 HIS 20 HD1 HIS 20 14.557 11.302 -8.987 71 HD2 HIS 20 HD2 HIS 20 16.870 14.654 -8.125 72 HE1 HIS 20 HE1 HIS 20 16.706 10.988 -10.252 73 HE2 HIS 20 HE2 HIS 20 18.138 12.953 -9.600 74 H ASP 21 HN ASP 21 13.443 15.908 -10.242 75 HA ASP 21 HA ASP 21 15.485 17.813 -9.374 76 HB2 ASP 21 HB2 ASP 21 14.334 17.146 -12.128 77 HB3 ASP 21 HB1 ASP 21 15.578 18.364 -11.850 78 HA PRO 22 HA PRO 22 12.697 21.331 -8.988 79 HB2 PRO 22 HB2 PRO 22 14.251 23.371 -10.061 80 HB3 PRO 22 HB1 PRO 22 14.466 22.719 -8.431 81 HG2 PRO 22 HG2 PRO 22 15.955 22.015 -10.964 82 HG3 PRO 22 HG1 PRO 22 16.607 22.344 -9.344 83 HD2 PRO 22 HD2 PRO 22 16.332 19.824 -10.208 84 HD3 PRO 22 HD1 PRO 22 15.956 20.232 -8.517 85 H MET 23 HN MET 23 14.199 20.687 -12.106 86 HA MET 23 HA MET 23 11.742 21.185 -13.566 87 HB2 MET 23 HB2 MET 23 12.722 23.456 -13.510 88 HB3 MET 23 HB1 MET 23 14.248 22.845 -14.135 89 HG2 MET 23 HG2 MET 23 13.146 22.264 -16.256 90 HG3 MET 23 HG1 MET 23 11.609 22.868 -15.628 91 HE1 MET 23 HE1 MET 23 12.677 25.629 -18.283 92 HE2 MET 23 HE2 MET 23 11.404 24.503 -17.816 93 HE3 MET 23 HE3 MET 23 12.948 23.891 -18.414 94 H THR 24 HN THR 24 15.212 21.064 -14.431 95 HA THR 24 HA THR 24 15.036 18.330 -15.445 96 HB THR 24 HB THR 24 15.792 20.678 -17.259 97 HG1 THR 24 HG1 THR 24 13.533 19.035 -17.047 98 HG21 THR 24 HG21 THR 24 17.261 18.743 -17.726 99 HG22 THR 24 HG22 THR 24 16.124 18.994 -19.054 100 HG23 THR 24 HG23 THR 24 15.851 17.698 -17.887 101 H LEU 25 HN LEU 25 17.097 21.234 -15.594 102 HA LEU 25 HA LEU 25 19.123 20.064 -13.852 103 HB2 LEU 25 HB2 LEU 25 19.665 19.489 -16.322 104 HB3 LEU 25 HB1 LEU 25 19.923 21.203 -16.578 105 HG LEU 25 HG LEU 25 21.548 19.486 -14.629 106 HD11 LEU 25 HD11 LEU 25 23.350 19.570 -16.275 107 HD12 LEU 25 HD12 LEU 25 22.292 20.398 -17.420 108 HD13 LEU 25 HD13 LEU 25 21.927 18.746 -16.909 109 HD21 LEU 25 HD21 LEU 25 23.182 21.340 -14.609 110 HD22 LEU 25 HD22 LEU 25 21.625 21.836 -13.958 111 HD23 LEU 25 HD23 LEU 25 22.089 22.325 -15.589 112 H ASP 26 HN ASP 26 19.654 21.625 -12.465 113 HA ASP 26 HA ASP 26 19.478 24.477 -13.252 114 HB2 ASP 26 HB2 ASP 26 17.617 23.789 -11.681 115 HB3 ASP 26 HB1 ASP 26 18.821 23.293 -10.503 116 H MET 27 HN MET 27 21.501 25.284 -13.269 117 HA MET 27 HA MET 27 23.815 23.899 -12.607 118 HB2 MET 27 HB2 MET 27 23.383 26.890 -12.930 119 HB3 MET 27 HB1 MET 27 24.978 26.162 -12.779 120 HG2 MET 27 HG2 MET 27 24.552 24.857 -14.848 121 HG3 MET 27 HG1 MET 27 22.992 25.676 -15.012 122 HE1 MET 27 HE1 MET 27 23.749 26.467 -17.507 123 HE2 MET 27 HE2 MET 27 25.299 25.654 -17.279 124 HE3 MET 27 HE3 MET 27 25.256 27.331 -17.820 125 H ASP 28 HN ASP 28 22.079 26.337 -10.672 126 HA ASP 28 HA ASP 28 23.917 26.530 -8.516 127 HB2 ASP 28 HB2 ASP 28 22.238 28.267 -8.805 128 HB3 ASP 28 HB1 ASP 28 20.926 27.105 -8.679 129 H ALA 29 HN ALA 29 20.989 24.546 -8.991 130 HA ALA 29 HA ALA 29 20.978 23.338 -6.421 131 HB1 ALA 29 HB1 ALA 29 19.304 21.795 -7.357 132 HB2 ALA 29 HB2 ALA 29 19.693 22.347 -8.991 133 HB3 ALA 29 HB3 ALA 29 18.967 23.462 -7.832 134 H VAL 30 HN VAL 30 22.451 22.431 -9.483 135 HA VAL 30 HA VAL 30 23.190 19.753 -8.764 136 HB VAL 30 HB VAL 30 23.990 21.561 -11.099 137 HG11 VAL 30 HG11 VAL 30 25.861 20.026 -10.692 138 HG12 VAL 30 HG12 VAL 30 25.006 19.572 -12.163 139 HG13 VAL 30 HG13 VAL 30 24.757 18.651 -10.680 140 HG21 VAL 30 HG21 VAL 30 21.648 20.789 -11.122 141 HG22 VAL 30 HG22 VAL 30 22.182 19.112 -10.974 142 HG23 VAL 30 HG23 VAL 30 22.568 20.037 -12.428 143 H LEU 31 HN LEU 31 24.958 22.847 -9.021 144 HA LEU 31 HA LEU 31 27.517 21.881 -8.269 145 HB2 LEU 31 HB2 LEU 31 27.163 24.017 -9.477 146 HB3 LEU 31 HB1 LEU 31 26.358 24.688 -8.070 147 HG LEU 31 HG LEU 31 28.487 24.611 -6.795 148 HD11 LEU 31 HD11 LEU 31 29.554 22.691 -7.850 149 HD12 LEU 31 HD12 LEU 31 30.614 24.096 -7.892 150 HD13 LEU 31 HD13 LEU 31 29.756 23.596 -9.353 151 HD21 LEU 31 HD21 LEU 31 27.909 26.652 -8.021 152 HD22 LEU 31 HD22 LEU 31 28.740 26.050 -9.459 153 HD23 LEU 31 HD23 LEU 31 29.656 26.412 -7.993 154 H SER 32 HN SER 32 24.875 23.370 -6.435 155 HA SER 32 HA SER 32 26.227 23.570 -3.947 156 HB2 SER 32 HB2 SER 32 24.244 24.954 -4.510 157 HB3 SER 32 HB1 SER 32 23.226 23.515 -4.485 158 HG SER 32 HG SER 32 23.809 23.273 -2.264 159 H ASP 33 HN ASP 33 24.052 21.125 -5.335 160 HA ASP 33 HA ASP 33 23.765 19.473 -3.044 161 HB2 ASP 33 HB2 ASP 33 22.286 19.302 -5.077 162 HB3 ASP 33 HB1 ASP 33 23.637 18.649 -5.994 163 H PHE 34 HN PHE 34 26.010 19.427 -5.798 164 HA PHE 34 HA PHE 34 27.391 17.060 -5.214 165 HB2 PHE 34 HB2 PHE 34 27.515 18.285 -7.400 166 HB3 PHE 34 HB1 PHE 34 28.479 19.542 -6.631 167 HD1 PHE 34 HD2 PHE 34 30.799 18.968 -5.777 168 HD2 PHE 34 HD1 PHE 34 28.532 16.228 -8.141 169 HE1 PHE 34 HE2 PHE 34 32.835 17.678 -6.240 170 HE2 PHE 34 HE1 PHE 34 30.576 14.953 -8.583 171 HZ PHE 34 HZ PHE 34 32.716 15.679 -7.638 172 H VAL 35 HN VAL 35 28.415 20.440 -4.538 173 HA VAL 35 HA VAL 35 30.800 19.864 -3.190 174 HB VAL 35 HB VAL 35 28.985 22.310 -2.939 175 HG11 VAL 35 HG11 VAL 35 30.938 23.540 -2.047 176 HG12 VAL 35 HG12 VAL 35 31.882 22.050 -2.032 177 HG13 VAL 35 HG13 VAL 35 30.480 22.215 -0.973 178 HG21 VAL 35 HG21 VAL 35 30.560 23.359 -4.530 179 HG22 VAL 35 HG22 VAL 35 29.823 21.909 -5.220 180 HG23 VAL 35 HG23 VAL 35 31.481 21.851 -4.616 181 H ARG 36 HN ARG 36 27.537 20.364 -1.919 182 HA ARG 36 HA ARG 36 28.242 20.395 0.845 183 HB2 ARG 36 HB2 ARG 36 26.191 21.454 -0.222 184 HB3 ARG 36 HB1 ARG 36 25.497 19.842 -0.369 185 HG2 ARG 36 HG2 ARG 36 25.529 19.603 2.090 186 HG3 ARG 36 HG1 ARG 36 26.276 21.195 2.233 187 HD2 ARG 36 HD2 ARG 36 24.230 22.146 1.064 188 HD3 ARG 36 HD1 ARG 36 23.483 20.555 1.245 189 HE ARG 36 HE ARG 36 24.225 21.138 3.782 190 HH11 ARG 36 HH11 ARG 36 22.378 22.959 1.403 191 HH12 ARG 36 HH12 ARG 36 21.487 23.847 2.593 192 HH21 ARG 36 HH21 ARG 36 23.046 22.315 5.331 193 HH22 ARG 36 HH22 ARG 36 21.868 23.482 4.824 194 H SER 37 HN SER 37 27.130 17.858 -1.375 195 HA SER 37 HA SER 37 26.642 15.885 0.691 196 HB2 SER 37 HB2 SER 37 25.323 15.878 -1.405 197 HB3 SER 37 HB1 SER 37 26.780 15.555 -2.342 198 HG SER 37 HG SER 37 25.763 13.621 -1.998 199 H THR 38 HN THR 38 29.051 16.222 -1.930 200 HA THR 38 HA THR 38 30.542 13.881 -1.172 201 HB THR 38 HB THR 38 32.085 14.497 -2.988 202 HG1 THR 38 HG1 THR 38 30.706 16.705 -3.864 203 HG21 THR 38 HG21 THR 38 30.522 14.509 -4.899 204 HG22 THR 38 HG22 THR 38 29.192 14.935 -3.822 205 HG23 THR 38 HG23 THR 38 29.991 13.368 -3.660 206 H GLY 39 HN GLY 39 30.626 17.209 -0.274 207 HA2 GLY 39 HA2 GLY 39 31.958 18.386 1.183 208 HA3 GLY 39 HA1 GLY 39 32.840 16.904 1.535 209 H ALA 40 HN ALA 40 32.420 18.108 -1.716 210 HA ALA 40 HA ALA 40 35.276 18.383 -2.146 211 HB1 ALA 40 HB1 ALA 40 32.950 18.846 -4.053 212 HB2 ALA 40 HB2 ALA 40 33.847 17.337 -3.864 213 HB3 ALA 40 HB3 ALA 40 34.659 18.770 -4.503 214 H GLU 41 HN GLU 41 35.935 20.378 -3.581 215 HA GLU 41 HA GLU 41 35.048 22.842 -2.200 216 HB2 GLU 41 HB2 GLU 41 37.127 23.805 -2.753 217 HB3 GLU 41 HB1 GLU 41 37.562 22.118 -2.497 218 HG2 GLU 41 HG2 GLU 41 37.466 21.775 -4.969 219 HG3 GLU 41 HG1 GLU 41 37.155 23.505 -5.155 220 HA PRO 42 HA PRO 42 32.587 24.384 -5.627 221 HB2 PRO 42 HB2 PRO 42 33.547 26.987 -6.018 222 HB3 PRO 42 HB1 PRO 42 32.434 26.518 -4.725 223 HG2 PRO 42 HG2 PRO 42 35.449 26.754 -4.630 224 HG3 PRO 42 HG1 PRO 42 34.251 27.400 -3.493 225 HD2 PRO 42 HD2 PRO 42 35.528 25.168 -2.872 226 HD3 PRO 42 HD1 PRO 42 33.770 25.250 -2.585 227 H GLY 43 HN GLY 43 36.082 25.014 -5.957 228 HA2 GLY 43 HA2 GLY 43 36.171 25.491 -8.744 229 HA3 GLY 43 HA1 GLY 43 37.527 25.021 -7.727 230 H LEU 44 HN LEU 44 36.951 22.574 -6.882 231 HA LEU 44 HA LEU 44 37.573 20.845 -9.007 232 HB2 LEU 44 HB2 LEU 44 38.152 20.339 -6.647 233 HB3 LEU 44 HB1 LEU 44 36.449 20.178 -6.254 234 HG LEU 44 HG LEU 44 36.315 18.194 -7.809 235 HD11 LEU 44 HD11 LEU 44 39.320 18.482 -7.985 236 HD12 LEU 44 HD12 LEU 44 38.161 18.716 -9.297 237 HD13 LEU 44 HD13 LEU 44 38.370 17.119 -8.585 238 HD21 LEU 44 HD21 LEU 44 36.586 17.840 -5.403 239 HD22 LEU 44 HD22 LEU 44 38.342 17.915 -5.566 240 HD23 LEU 44 HD23 LEU 44 37.441 16.598 -6.321 241 H ALA 45 HN ALA 45 34.579 21.390 -7.218 242 HA ALA 45 HA ALA 45 32.949 19.394 -8.268 243 HB1 ALA 45 HB1 ALA 45 31.072 20.770 -7.433 244 HB2 ALA 45 HB2 ALA 45 32.167 22.145 -7.243 245 HB3 ALA 45 HB3 ALA 45 32.391 20.692 -6.265 246 H ARG 46 HN ARG 46 33.040 22.834 -9.135 247 HA ARG 46 HA ARG 46 31.255 22.760 -11.296 248 HB2 ARG 46 HB2 ARG 46 31.538 24.882 -10.384 249 HB3 ARG 46 HB1 ARG 46 33.274 24.731 -10.232 250 HG2 ARG 46 HG2 ARG 46 32.151 24.935 -13.008 251 HG3 ARG 46 HG1 ARG 46 32.108 26.387 -12.004 252 HD2 ARG 46 HD2 ARG 46 34.543 26.271 -11.681 253 HD3 ARG 46 HD1 ARG 46 34.613 24.752 -12.583 254 HE ARG 46 HE ARG 46 34.486 25.932 -14.537 255 HH11 ARG 46 HH11 ARG 46 33.799 28.175 -11.931 256 HH12 ARG 46 HH12 ARG 46 33.798 29.560 -12.974 257 HH21 ARG 46 HH21 ARG 46 34.454 27.696 -15.885 258 HH22 ARG 46 HH22 ARG 46 34.159 29.278 -15.236 259 H ASP 47 HN ASP 47 34.767 22.327 -11.194 260 HA ASP 47 HA ASP 47 35.269 22.401 -13.997 261 HB2 ASP 47 HB2 ASP 47 37.044 22.678 -12.265 262 HB3 ASP 47 HB1 ASP 47 36.849 20.988 -11.802 263 H LEU 48 HN LEU 48 34.554 19.734 -11.749 264 HA LEU 48 HA LEU 48 34.714 17.575 -13.612 265 HB2 LEU 48 HB2 LEU 48 33.142 17.800 -11.002 266 HB3 LEU 48 HB1 LEU 48 33.305 16.307 -11.924 267 HG LEU 48 HG LEU 48 35.613 17.812 -10.610 268 HD11 LEU 48 HD11 LEU 48 35.685 15.950 -9.007 269 HD12 LEU 48 HD12 LEU 48 34.240 15.245 -9.738 270 HD13 LEU 48 HD13 LEU 48 34.149 16.813 -8.927 271 HD21 LEU 48 HD21 LEU 48 36.325 16.606 -12.621 272 HD22 LEU 48 HD22 LEU 48 35.590 15.120 -12.011 273 HD23 LEU 48 HD23 LEU 48 36.963 15.842 -11.166 274 H LEU 49 HN LEU 49 32.100 19.687 -12.509 275 HA LEU 49 HA LEU 49 29.926 18.392 -13.741 276 HB2 LEU 49 HB2 LEU 49 30.312 21.257 -12.805 277 HB3 LEU 49 HB1 LEU 49 28.785 20.688 -13.468 278 HG LEU 49 HG LEU 49 30.124 19.501 -10.998 279 HD11 LEU 49 HD11 LEU 49 28.402 20.623 -9.678 280 HD12 LEU 49 HD12 LEU 49 27.776 21.408 -11.130 281 HD13 LEU 49 HD13 LEU 49 29.400 21.786 -10.548 282 HD21 LEU 49 HD21 LEU 49 27.979 18.347 -10.651 283 HD22 LEU 49 HD22 LEU 49 28.728 17.882 -12.175 284 HD23 LEU 49 HD23 LEU 49 27.370 19.007 -12.172 285 H GLU 50 HN GLU 50 31.949 21.121 -14.905 286 HA GLU 50 HA GLU 50 30.630 21.599 -17.345 287 HB2 GLU 50 HB2 GLU 50 33.584 21.882 -16.659 288 HB3 GLU 50 HB1 GLU 50 32.830 22.571 -18.096 289 HG2 GLU 50 HG2 GLU 50 31.438 24.013 -16.707 290 HG3 GLU 50 HG1 GLU 50 32.086 23.285 -15.242 291 H GLY 51 HN GLY 51 33.180 19.286 -16.499 292 HA2 GLY 51 HA2 GLY 51 33.556 18.184 -19.116 293 HA3 GLY 51 HA1 GLY 51 34.091 17.492 -17.590 294 H LYS 52 HN LYS 52 31.179 17.643 -16.636 295 HA LYS 52 HA LYS 52 30.256 15.141 -17.921 296 HB2 LYS 52 HB2 LYS 52 29.615 16.194 -15.123 297 HB3 LYS 52 HB1 LYS 52 29.031 14.678 -15.809 298 HG2 LYS 52 HG2 LYS 52 31.885 15.387 -15.082 299 HG3 LYS 52 HG1 LYS 52 30.847 14.184 -14.314 300 HD2 LYS 52 HD2 LYS 52 30.898 12.818 -16.376 301 HD3 LYS 52 HD1 LYS 52 31.894 14.042 -17.174 302 HE2 LYS 52 HE2 LYS 52 32.667 12.332 -14.797 303 HE3 LYS 52 HE1 LYS 52 33.313 12.232 -16.430 304 HZ1 LYS 52 HZ1 LYS 52 33.656 14.494 -14.539 305 HZ2 LYS 52 HZ2 LYS 52 34.218 14.478 -16.130 306 HZ3 LYS 52 HZ3 LYS 52 34.847 13.386 -15.005 307 H ASN 53 HN ASN 53 29.664 18.142 -18.588 308 HA ASN 53 HA ASN 53 27.972 19.305 -19.563 309 HB2 ASN 53 HB2 ASN 53 27.725 17.182 -20.857 310 HB3 ASN 53 HB1 ASN 53 26.605 16.563 -19.658 311 HD21 ASN 53 HD21 ASN 53 24.465 17.235 -19.713 312 HD22 ASN 53 HD22 ASN 53 23.800 18.183 -21.000 313 H TRP 54 HN TRP 54 28.084 18.938 -16.687 314 HA TRP 54 HA TRP 54 27.207 19.616 -14.766 315 HB2 TRP 54 HB2 TRP 54 25.352 21.052 -16.689 316 HB3 TRP 54 HB1 TRP 54 25.102 21.171 -14.950 317 HD1 TRP 54 HD1 TRP 54 27.765 22.085 -17.621 318 HE1 TRP 54 HE1 TRP 54 29.233 23.967 -16.661 319 HE3 TRP 54 HE3 TRP 54 25.859 22.252 -12.893 320 HZ2 TRP 54 HZ2 TRP 54 29.552 25.346 -14.209 321 HZ3 TRP 54 HZ3 TRP 54 26.789 23.874 -11.286 322 HH2 TRP 54 HH2 TRP 54 28.604 25.392 -11.930 323 H ASP 55 HN ASP 55 26.264 17.121 -16.177 324 HA ASP 55 HA ASP 55 23.763 16.442 -14.932 325 HB2 ASP 55 HB2 ASP 55 25.928 14.724 -16.227 326 HB3 ASP 55 HB1 ASP 55 24.443 14.056 -15.552 327 H LEU 56 HN LEU 56 23.708 16.544 -12.845 328 HA LEU 56 HA LEU 56 25.643 16.517 -10.920 329 HB2 LEU 56 HB2 LEU 56 23.319 17.216 -10.543 330 HB3 LEU 56 HB1 LEU 56 22.763 15.562 -10.741 331 HG LEU 56 HG LEU 56 23.953 14.917 -8.644 332 HD11 LEU 56 HD11 LEU 56 25.749 16.555 -8.619 333 HD12 LEU 56 HD12 LEU 56 24.823 16.664 -7.125 334 HD13 LEU 56 HD13 LEU 56 24.598 17.875 -8.390 335 HD21 LEU 56 HD21 LEU 56 21.588 15.477 -8.553 336 HD22 LEU 56 HD22 LEU 56 21.962 17.192 -8.335 337 HD23 LEU 56 HD23 LEU 56 22.393 16.025 -7.082 338 H THR 57 HN THR 57 23.615 13.715 -11.823 339 HA THR 57 HA THR 57 24.655 11.831 -10.054 340 HB THR 57 HB THR 57 23.449 11.243 -12.800 341 HG1 THR 57 HG1 THR 57 21.533 11.719 -11.945 342 HG21 THR 57 HG21 THR 57 22.622 9.180 -11.732 343 HG22 THR 57 HG22 THR 57 23.416 9.629 -10.222 344 HG23 THR 57 HG23 THR 57 24.386 9.245 -11.648 345 H ALA 58 HN ALA 58 25.721 12.655 -13.335 346 HA ALA 58 HA ALA 58 27.563 10.495 -13.728 347 HB1 ALA 58 HB1 ALA 58 26.564 11.734 -15.622 348 HB2 ALA 58 HB2 ALA 58 28.327 11.788 -15.691 349 HB3 ALA 58 HB3 ALA 58 27.420 13.195 -15.125 350 H ALA 59 HN ALA 59 27.850 13.808 -12.512 351 HA ALA 59 HA ALA 59 30.715 13.844 -12.309 352 HB1 ALA 59 HB1 ALA 59 28.667 15.613 -10.936 353 HB2 ALA 59 HB2 ALA 59 29.402 15.917 -12.510 354 HB3 ALA 59 HB3 ALA 59 30.403 15.932 -11.056 355 H LEU 60 HN LEU 60 28.061 13.122 -10.058 356 HA LEU 60 HA LEU 60 29.538 12.771 -7.670 357 HB2 LEU 60 HB2 LEU 60 26.948 11.455 -8.593 358 HB3 LEU 60 HB1 LEU 60 27.577 11.329 -6.955 359 HG LEU 60 HG LEU 60 26.749 13.951 -8.268 360 HD11 LEU 60 HD11 LEU 60 24.732 13.858 -6.884 361 HD12 LEU 60 HD12 LEU 60 25.180 12.251 -6.305 362 HD13 LEU 60 HD13 LEU 60 24.801 12.506 -8.011 363 HD21 LEU 60 HD21 LEU 60 26.846 14.881 -6.000 364 HD22 LEU 60 HD22 LEU 60 28.413 14.255 -6.502 365 HD23 LEU 60 HD23 LEU 60 27.418 13.332 -5.373 366 H SER 61 HN SER 61 28.546 10.535 -10.240 367 HA SER 61 HA SER 61 29.598 8.131 -9.177 368 HB2 SER 61 HB2 SER 61 27.864 8.286 -11.003 369 HB3 SER 61 HB1 SER 61 29.123 8.817 -12.114 370 HG SER 61 HG SER 61 28.435 6.397 -11.729 371 H ASP 62 HN ASP 62 30.974 10.672 -11.172 372 HA ASP 62 HA ASP 62 33.453 9.373 -11.798 373 HB2 ASP 62 HB2 ASP 62 32.570 11.150 -13.239 374 HB3 ASP 62 HB1 ASP 62 32.619 12.298 -11.904 375 H TYR 63 HN TYR 63 32.369 11.625 -9.297 376 HA TYR 63 HA TYR 63 34.876 12.264 -8.170 377 HB2 TYR 63 HB2 TYR 63 32.798 13.572 -7.756 378 HB3 TYR 63 HB1 TYR 63 32.146 12.241 -6.805 379 HD1 TYR 63 HD2 TYR 63 34.685 14.948 -6.876 380 HD2 TYR 63 HD1 TYR 63 32.954 11.845 -4.496 381 HE1 TYR 63 HE2 TYR 63 35.778 15.864 -4.875 382 HE2 TYR 63 HE1 TYR 63 34.063 12.761 -2.505 383 HH TYR 63 HH TYR 63 35.466 15.828 -2.407 384 H GLU 64 HN GLU 64 32.419 9.879 -7.121 385 HA GLU 64 HA GLU 64 33.947 8.715 -5.025 386 HB2 GLU 64 HB2 GLU 64 32.249 6.899 -5.076 387 HB3 GLU 64 HB1 GLU 64 31.498 8.491 -5.131 388 HG2 GLU 64 HG2 GLU 64 31.372 8.208 -7.660 389 HG3 GLU 64 HG1 GLU 64 31.852 6.532 -7.411 390 H GLN 65 HN GLN 65 33.740 8.083 -8.493 391 HA GLN 65 HA GLN 65 35.210 5.699 -8.689 392 HB2 GLN 65 HB2 GLN 65 33.946 6.523 -10.576 393 HB3 GLN 65 HB1 GLN 65 34.838 8.030 -10.615 394 HG2 GLN 65 HG2 GLN 65 36.230 5.407 -11.157 395 HG3 GLN 65 HG1 GLN 65 35.297 6.202 -12.415 396 HE21 GLN 65 HE21 GLN 65 36.042 8.927 -11.624 397 HE22 GLN 65 HE22 GLN 65 37.693 9.120 -12.085 398 H LEU 66 HN LEU 66 36.357 9.116 -8.802 399 HA LEU 66 HA LEU 66 39.113 8.313 -9.075 400 HB2 LEU 66 HB2 LEU 66 39.668 10.719 -8.959 401 HB3 LEU 66 HB1 LEU 66 38.436 10.353 -10.145 402 HG LEU 66 HG LEU 66 36.746 11.163 -8.299 403 HD11 LEU 66 HD11 LEU 66 39.225 12.563 -7.274 404 HD12 LEU 66 HD12 LEU 66 38.268 11.349 -6.420 405 HD13 LEU 66 HD13 LEU 66 37.556 12.911 -6.804 406 HD21 LEU 66 HD21 LEU 66 37.062 12.318 -10.424 407 HD22 LEU 66 HD22 LEU 66 38.469 13.172 -9.782 408 HD23 LEU 66 HD23 LEU 66 36.862 13.477 -9.109 409 H ARG 67 HN ARG 67 37.007 8.939 -6.386 410 HA ARG 67 HA ARG 67 39.086 9.168 -4.377 411 HB2 ARG 67 HB2 ARG 67 36.078 8.710 -4.175 412 HB3 ARG 67 HB1 ARG 67 37.123 8.788 -2.759 413 HG2 ARG 67 HG2 ARG 67 36.724 11.021 -4.776 414 HG3 ARG 67 HG1 ARG 67 35.959 10.922 -3.187 415 HD2 ARG 67 HD2 ARG 67 38.161 11.056 -2.107 416 HD3 ARG 67 HD1 ARG 67 38.954 11.089 -3.687 417 HE ARG 67 HE ARG 67 37.154 13.217 -2.663 418 HH11 ARG 67 HH11 ARG 67 40.027 12.300 -4.496 419 HH12 ARG 67 HH12 ARG 67 40.372 13.924 -4.978 420 HH21 ARG 67 HH21 ARG 67 37.633 15.327 -3.322 421 HH22 ARG 67 HH22 ARG 67 39.035 15.634 -4.294 422 H GLN 68 HN GLN 68 37.454 6.560 -5.996 423 HA GLN 68 HA GLN 68 37.490 4.503 -4.132 424 HB2 GLN 68 HB2 GLN 68 36.333 4.299 -6.287 425 HB3 GLN 68 HB1 GLN 68 37.862 4.364 -7.153 426 HG2 GLN 68 HG2 GLN 68 36.989 2.086 -7.096 427 HG3 GLN 68 HG1 GLN 68 38.512 2.181 -6.215 428 HE21 GLN 68 HE21 GLN 68 38.484 1.935 -3.950 429 HE22 GLN 68 HE22 GLN 68 37.133 1.271 -3.114 430 H VAL 69 HN VAL 69 39.959 5.149 -6.628 431 HA VAL 69 HA VAL 69 42.127 4.620 -6.908 432 HB VAL 69 HB VAL 69 42.314 4.876 -3.868 433 HG11 VAL 69 HG11 VAL 69 44.676 5.512 -4.252 434 HG12 VAL 69 HG12 VAL 69 44.487 5.218 -5.982 435 HG13 VAL 69 HG13 VAL 69 44.353 3.877 -4.837 436 HG21 VAL 69 HG21 VAL 69 42.849 7.264 -4.260 437 HG22 VAL 69 HG22 VAL 69 41.229 6.864 -4.836 438 HG23 VAL 69 HG23 VAL 69 42.554 7.052 -5.990 439 H HIS 70 HN HIS 70 42.170 2.538 -7.713 440 HA HIS 70 HA HIS 70 41.614 0.168 -6.249 441 HB2 HIS 70 HB2 HIS 70 42.399 -1.064 -8.204 442 HB3 HIS 70 HB1 HIS 70 41.448 0.312 -8.732 443 HD1 HIS 70 HD1 HIS 70 42.596 2.024 -10.240 444 HD2 HIS 70 HD2 HIS 70 45.208 -0.879 -8.804 445 HE1 HIS 70 HE1 HIS 70 44.731 2.337 -11.525 446 HE2 HIS 70 HE2 HIS 70 46.317 0.633 -10.589 447 H THR 71 HN THR 71 44.483 2.058 -6.530 448 HA THR 71 HA THR 71 46.442 0.126 -5.799 449 HB THR 71 HB THR 71 46.569 3.160 -5.436 450 HG1 THR 71 HG1 THR 71 47.392 1.624 -7.702 451 HG21 THR 71 HG21 THR 71 48.792 1.101 -5.815 452 HG22 THR 71 HG22 THR 71 48.413 1.939 -4.307 453 HG23 THR 71 HG23 THR 71 49.014 2.850 -5.692 454 H ALA 72 HN ALA 72 44.304 2.280 -4.014 455 HA ALA 72 HA ALA 72 45.514 1.762 -1.409 456 HB1 ALA 72 HB1 ALA 72 44.623 4.004 -1.907 457 HB2 ALA 72 HB2 ALA 72 43.753 3.280 -0.555 458 HB3 ALA 72 HB3 ALA 72 43.011 3.330 -2.158 459 H ASN 73 HN ASN 73 42.248 1.365 -2.819 460 HA ASN 73 HA ASN 73 41.468 -0.534 -0.740 461 HB2 ASN 73 HB2 ASN 73 39.861 0.849 -2.941 462 HB3 ASN 73 HB1 ASN 73 39.172 -0.305 -1.798 463 HD21 ASN 73 HD21 ASN 73 40.604 2.884 -2.128 464 HD22 ASN 73 HD22 ASN 73 40.054 3.498 -0.612 465 H LEU 74 HN LEU 74 40.912 -2.605 -1.058 466 HA LEU 74 HA LEU 74 41.979 -4.007 -3.353 467 HB2 LEU 74 HB2 LEU 74 40.560 -5.038 -0.850 468 HB3 LEU 74 HB1 LEU 74 41.255 -6.063 -2.089 469 HG LEU 74 HG LEU 74 43.531 -5.028 -1.514 470 HD11 LEU 74 HD11 LEU 74 42.826 -3.020 -0.354 471 HD12 LEU 74 HD12 LEU 74 43.804 -4.017 0.718 472 HD13 LEU 74 HD13 LEU 74 42.051 -3.975 0.913 473 HD21 LEU 74 HD21 LEU 74 42.139 -6.664 0.637 474 HD22 LEU 74 HD22 LEU 74 43.885 -6.495 0.440 475 HD23 LEU 74 HD23 LEU 74 42.934 -7.293 -0.809 476 HA PRO 75 HA PRO 75 38.394 -4.527 -5.993 477 HB2 PRO 75 HB2 PRO 75 38.751 -7.508 -5.586 478 HB3 PRO 75 HB1 PRO 75 38.484 -6.604 -7.087 479 HG2 PRO 75 HG2 PRO 75 40.937 -7.427 -6.458 480 HG3 PRO 75 HG1 PRO 75 40.690 -5.817 -7.165 481 HD2 PRO 75 HD2 PRO 75 41.319 -6.564 -4.326 482 HD3 PRO 75 HD1 PRO 75 41.808 -5.127 -5.255 483 H HIS 76 HN HIS 76 37.845 -7.486 -4.033 484 HA HIS 76 HA HIS 76 36.085 -6.429 -2.127 485 HB2 HIS 76 HB2 HIS 76 34.595 -6.025 -4.128 486 HB3 HIS 76 HB1 HIS 76 34.565 -7.759 -4.427 487 HD1 HIS 76 HD1 HIS 76 33.073 -9.187 -2.908 488 HD2 HIS 76 HD2 HIS 76 33.106 -5.172 -1.849 489 HE1 HIS 76 HE1 HIS 76 31.210 -8.916 -1.246 490 HE2 HIS 76 HE2 HIS 76 31.151 -6.454 -0.747 491 H VAL 77 HN VAL 77 37.208 -7.861 -0.795 492 HA VAL 77 HA VAL 77 36.543 -10.734 -1.053 493 HB VAL 77 HB VAL 77 38.949 -10.301 -0.742 494 HG11 VAL 77 HG11 VAL 77 38.263 -8.994 1.919 495 HG12 VAL 77 HG12 VAL 77 38.894 -8.177 0.489 496 HG13 VAL 77 HG13 VAL 77 39.894 -9.358 1.338 497 HG21 VAL 77 HG21 VAL 77 37.694 -11.621 1.700 498 HG22 VAL 77 HG22 VAL 77 39.361 -11.840 1.158 499 HG23 VAL 77 HG23 VAL 77 38.026 -12.396 0.147 500 H PHE 78 HN PHE 78 35.110 -11.640 0.353 501 HA PHE 78 HA PHE 78 34.184 -10.227 2.757 502 HB2 PHE 78 HB2 PHE 78 32.887 -9.311 0.757 503 HB3 PHE 78 HB1 PHE 78 32.276 -10.933 0.464 504 HD1 PHE 78 HD2 PHE 78 32.449 -8.339 3.174 505 HD2 PHE 78 HD1 PHE 78 30.188 -11.507 1.397 506 HE1 PHE 78 HE2 PHE 78 30.581 -7.871 4.700 507 HE2 PHE 78 HE1 PHE 78 28.325 -11.031 2.927 508 HZ PHE 78 HZ PHE 78 28.523 -9.217 4.577 509 H ASN 79 HN ASN 79 35.572 -12.752 1.990 510 HA ASN 79 HA ASN 79 33.768 -14.964 2.141 511 HB2 ASN 79 HB2 ASN 79 36.796 -14.942 2.555 512 HB3 ASN 79 HB1 ASN 79 35.799 -16.366 2.266 513 HD21 ASN 79 HD21 ASN 79 36.752 -16.997 0.354 514 HD22 ASN 79 HD22 ASN 79 36.713 -16.065 -1.098 515 H GLU 80 HN GLU 80 32.560 -14.982 3.967 516 HA GLU 80 HA GLU 80 33.910 -15.381 6.580 517 HB2 GLU 80 HB2 GLU 80 31.360 -13.756 6.094 518 HB3 GLU 80 HB1 GLU 80 32.046 -14.138 7.675 519 HG2 GLU 80 HG2 GLU 80 34.043 -12.802 7.134 520 HG3 GLU 80 HG1 GLU 80 33.365 -12.432 5.546 521 H GLY 81 HN GLY 81 32.282 -16.379 8.183 522 HA2 GLY 81 HA2 GLY 81 30.766 -17.969 8.835 523 HA3 GLY 81 HA1 GLY 81 29.972 -17.799 7.282 524 H ARG 82 HN ARG 82 30.606 -19.129 5.551 525 HA ARG 82 HA ARG 82 32.702 -21.131 5.882 526 HB2 ARG 82 HB2 ARG 82 30.589 -22.205 6.809 527 HB3 ARG 82 HB1 ARG 82 29.831 -21.974 5.236 528 HG2 ARG 82 HG2 ARG 82 31.661 -23.413 4.232 529 HG3 ARG 82 HG1 ARG 82 32.218 -23.748 5.872 530 HD2 ARG 82 HD2 ARG 82 29.984 -24.748 6.384 531 HD3 ARG 82 HD1 ARG 82 29.501 -24.457 4.703 532 HE ARG 82 HE ARG 82 31.934 -26.008 5.053 533 HH11 ARG 82 HH11 ARG 82 28.454 -26.187 4.569 534 HH12 ARG 82 HH12 ARG 82 28.500 -27.827 4.012 535 HH21 ARG 82 HH21 ARG 82 31.984 -28.148 4.360 536 HH22 ARG 82 HH22 ARG 82 30.513 -28.950 3.919 537 H GLY 83 HN GLY 83 33.513 -21.816 3.876 538 HA2 GLY 83 HA2 GLY 83 32.315 -21.800 1.390 539 HA3 GLY 83 HA1 GLY 83 32.987 -20.181 1.575 Start of MODEL 20 1 H1 SER 11 HT1 SER 11 -3.483 25.346 0.712 2 H2 SER 11 HT2 SER 11 -4.235 26.645 -0.067 3 H3 SER 11 HT3 SER 11 -2.653 26.793 0.516 4 HA SER 11 HA SER 11 -3.524 24.972 -1.618 5 HB2 SER 11 HB2 SER 11 -1.941 27.568 -1.792 6 HB3 SER 11 HB1 SER 11 -2.298 26.489 -3.144 7 HG SER 11 HG SER 11 -3.854 28.001 -3.232 8 H ALA 12 HN ALA 12 -2.354 23.175 -1.175 9 HA ALA 12 HA ALA 12 0.568 23.266 -1.315 10 HB1 ALA 12 HB1 ALA 12 0.889 21.842 0.669 11 HB2 ALA 12 HB2 ALA 12 -0.843 21.902 1.023 12 HB3 ALA 12 HB3 ALA 12 0.133 23.370 1.117 13 H GLU 13 HN GLU 13 0.448 22.223 -3.255 14 HA GLU 13 HA GLU 13 -1.042 19.703 -3.533 15 HB2 GLU 13 HB2 GLU 13 -1.279 21.478 -5.264 16 HB3 GLU 13 HB1 GLU 13 0.442 21.395 -5.609 17 HG2 GLU 13 HG2 GLU 13 -1.353 18.978 -5.955 18 HG3 GLU 13 HG1 GLU 13 -1.255 20.216 -7.202 19 H CYS 14 HN CYS 14 2.225 20.990 -3.443 20 HA CYS 14 HA CYS 14 3.492 18.523 -4.348 21 HB2 CYS 14 HB2 CYS 14 4.707 21.197 -3.545 22 HB3 CYS 14 HB1 CYS 14 5.525 19.891 -4.406 23 HG CYS 14 HG CYS 14 2.779 20.761 -6.028 24 H TRP 15 HN TRP 15 2.201 17.979 -1.983 25 HA TRP 15 HA TRP 15 3.691 18.179 0.395 26 HB2 TRP 15 HB2 TRP 15 1.634 16.160 -0.565 27 HB3 TRP 15 HB1 TRP 15 2.392 16.005 1.013 28 HD1 TRP 15 HD1 TRP 15 2.240 18.745 2.316 29 HE1 TRP 15 HE1 TRP 15 -0.004 19.868 2.857 30 HE3 TRP 15 HE3 TRP 15 -0.737 16.320 -1.071 31 HZ2 TRP 15 HZ2 TRP 15 -2.673 19.757 1.991 32 HZ3 TRP 15 HZ3 TRP 15 -3.140 16.888 -1.147 33 HH2 TRP 15 HH2 TRP 15 -4.090 18.575 0.358 34 H ALA 16 HN ALA 16 3.717 15.687 -2.150 35 HA ALA 16 HA ALA 16 5.694 14.004 -0.946 36 HB1 ALA 16 HB1 ALA 16 5.778 12.868 -3.127 37 HB2 ALA 16 HB2 ALA 16 4.826 14.162 -3.859 38 HB3 ALA 16 HB3 ALA 16 4.108 13.126 -2.622 39 H ALA 17 HN ALA 17 5.740 16.576 -3.393 40 HA ALA 17 HA ALA 17 7.342 17.869 -4.330 41 HB1 ALA 17 HB1 ALA 17 9.228 18.580 -2.924 42 HB2 ALA 17 HB2 ALA 17 8.909 17.260 -1.794 43 HB3 ALA 17 HB3 ALA 17 7.728 18.559 -1.995 44 H LEU 18 HN LEU 18 7.744 16.550 -6.098 45 HA LEU 18 HA LEU 18 9.495 14.267 -6.029 46 HB2 LEU 18 HB2 LEU 18 8.329 15.769 -8.409 47 HB3 LEU 18 HB1 LEU 18 9.128 14.201 -8.486 48 HG LEU 18 HG LEU 18 6.498 14.796 -7.062 49 HD11 LEU 18 HD11 LEU 18 5.463 13.425 -8.792 50 HD12 LEU 18 HD12 LEU 18 7.017 13.219 -9.602 51 HD13 LEU 18 HD13 LEU 18 6.278 14.821 -9.492 52 HD21 LEU 18 HD21 LEU 18 7.950 12.132 -7.337 53 HD22 LEU 18 HD22 LEU 18 6.333 12.364 -6.663 54 HD23 LEU 18 HD23 LEU 18 7.733 13.056 -5.849 55 H LEU 19 HN LEU 19 11.525 14.030 -7.069 56 HA LEU 19 HA LEU 19 13.357 16.199 -6.709 57 HB2 LEU 19 HB2 LEU 19 13.819 13.723 -6.336 58 HB3 LEU 19 HB1 LEU 19 13.879 13.516 -8.077 59 HG LEU 19 HG LEU 19 15.797 15.368 -6.563 60 HD11 LEU 19 HD11 LEU 19 16.252 12.457 -7.292 61 HD12 LEU 19 HD12 LEU 19 16.079 13.124 -5.666 62 HD13 LEU 19 HD13 LEU 19 17.468 13.567 -6.649 63 HD21 LEU 19 HD21 LEU 19 16.028 14.142 -9.345 64 HD22 LEU 19 HD22 LEU 19 17.267 15.114 -8.544 65 HD23 LEU 19 HD23 LEU 19 15.722 15.842 -8.970 66 H HIS 20 HN HIS 20 13.511 17.821 -8.083 67 HA HIS 20 HA HIS 20 14.197 17.429 -10.842 68 HB2 HIS 20 HB2 HIS 20 12.377 18.876 -11.794 69 HB3 HIS 20 HB1 HIS 20 11.778 17.344 -11.174 70 HD1 HIS 20 HD1 HIS 20 9.976 17.437 -9.423 71 HD2 HIS 20 HD2 HIS 20 11.656 21.171 -10.137 72 HE1 HIS 20 HE1 HIS 20 8.516 19.072 -8.206 73 HE2 HIS 20 HE2 HIS 20 9.533 21.330 -8.662 74 H ASP 21 HN ASP 21 14.812 19.513 -11.873 75 HA ASP 21 HA ASP 21 15.705 21.573 -9.992 76 HB2 ASP 21 HB2 ASP 21 16.196 21.103 -12.962 77 HB3 ASP 21 HB1 ASP 21 16.770 22.538 -12.121 78 HA PRO 22 HA PRO 22 12.526 24.723 -10.617 79 HB2 PRO 22 HB2 PRO 22 14.813 26.387 -11.707 80 HB3 PRO 22 HB1 PRO 22 13.521 26.858 -10.586 81 HG2 PRO 22 HG2 PRO 22 15.916 26.273 -9.625 82 HG3 PRO 22 HG1 PRO 22 14.476 25.645 -8.792 83 HD2 PRO 22 HD2 PRO 22 16.418 24.199 -10.571 84 HD3 PRO 22 HD1 PRO 22 15.547 23.618 -9.138 85 H MET 23 HN MET 23 14.395 23.692 -13.378 86 HA MET 23 HA MET 23 12.077 24.133 -15.104 87 HB2 MET 23 HB2 MET 23 13.466 26.129 -15.565 88 HB3 MET 23 HB1 MET 23 14.879 25.121 -15.845 89 HG2 MET 23 HG2 MET 23 13.713 24.109 -17.811 90 HG3 MET 23 HG1 MET 23 12.373 25.230 -17.546 91 HE1 MET 23 HE1 MET 23 14.094 24.930 -20.329 92 HE2 MET 23 HE2 MET 23 14.179 26.638 -20.772 93 HE3 MET 23 HE3 MET 23 12.683 25.968 -20.122 94 H THR 24 HN THR 24 15.467 23.003 -15.081 95 HA THR 24 HA THR 24 14.875 20.276 -15.716 96 HB THR 24 HB THR 24 14.478 21.047 -17.988 97 HG1 THR 24 HG1 THR 24 16.651 20.095 -18.921 98 HG21 THR 24 HG21 THR 24 16.163 22.279 -19.334 99 HG22 THR 24 HG22 THR 24 17.194 22.420 -17.912 100 HG23 THR 24 HG23 THR 24 15.631 23.235 -17.941 101 H LEU 25 HN LEU 25 17.267 22.876 -15.835 102 HA LEU 25 HA LEU 25 19.192 21.351 -14.235 103 HB2 LEU 25 HB2 LEU 25 19.954 20.951 -16.542 104 HB3 LEU 25 HB1 LEU 25 19.817 22.660 -16.924 105 HG LEU 25 HG LEU 25 21.653 23.118 -15.234 106 HD11 LEU 25 HD11 LEU 25 21.447 21.119 -13.853 107 HD12 LEU 25 HD12 LEU 25 23.086 21.294 -14.474 108 HD13 LEU 25 HD13 LEU 25 21.995 20.112 -15.198 109 HD21 LEU 25 HD21 LEU 25 23.492 22.463 -16.690 110 HD22 LEU 25 HD22 LEU 25 22.132 23.047 -17.644 111 HD23 LEU 25 HD23 LEU 25 22.452 21.313 -17.537 112 H ASP 26 HN ASP 26 19.615 22.637 -12.585 113 HA ASP 26 HA ASP 26 19.889 25.561 -13.003 114 HB2 ASP 26 HB2 ASP 26 17.966 24.788 -11.459 115 HB3 ASP 26 HB1 ASP 26 19.194 24.191 -10.352 116 H MET 27 HN MET 27 22.055 25.727 -13.319 117 HA MET 27 HA MET 27 24.031 23.920 -12.536 118 HB2 MET 27 HB2 MET 27 24.246 26.839 -13.363 119 HB3 MET 27 HB1 MET 27 25.650 25.795 -13.149 120 HG2 MET 27 HG2 MET 27 24.852 24.328 -14.951 121 HG3 MET 27 HG1 MET 27 23.409 25.323 -15.139 122 HE1 MET 27 HE1 MET 27 25.443 24.554 -17.531 123 HE2 MET 27 HE2 MET 27 25.524 26.095 -18.391 124 HE3 MET 27 HE3 MET 27 23.981 25.503 -17.771 125 H ASP 28 HN ASP 28 22.786 26.761 -10.824 126 HA ASP 28 HA ASP 28 24.805 26.925 -8.790 127 HB2 ASP 28 HB2 ASP 28 23.331 28.842 -9.240 128 HB3 ASP 28 HB1 ASP 28 21.909 27.880 -8.865 129 H ALA 29 HN ALA 29 21.621 25.342 -8.982 130 HA ALA 29 HA ALA 29 21.555 24.342 -6.317 131 HB1 ALA 29 HB1 ALA 29 20.023 23.360 -8.755 132 HB2 ALA 29 HB2 ALA 29 19.518 24.649 -7.659 133 HB3 ALA 29 HB3 ALA 29 19.644 22.997 -7.063 134 H VAL 30 HN VAL 30 22.515 22.886 -9.387 135 HA VAL 30 HA VAL 30 23.072 20.266 -8.471 136 HB VAL 30 HB VAL 30 24.071 21.755 -10.946 137 HG11 VAL 30 HG11 VAL 30 25.543 19.830 -10.500 138 HG12 VAL 30 HG12 VAL 30 24.548 19.525 -11.924 139 HG13 VAL 30 HG13 VAL 30 24.140 18.764 -10.385 140 HG21 VAL 30 HG21 VAL 30 21.620 21.579 -10.887 141 HG22 VAL 30 HG22 VAL 30 21.726 19.842 -10.596 142 HG23 VAL 30 HG23 VAL 30 22.272 20.510 -12.134 143 H LEU 31 HN LEU 31 25.023 23.198 -8.798 144 HA LEU 31 HA LEU 31 27.576 22.103 -8.209 145 HB2 LEU 31 HB2 LEU 31 27.184 24.363 -9.249 146 HB3 LEU 31 HB1 LEU 31 26.589 24.944 -7.706 147 HG LEU 31 HG LEU 31 28.856 24.573 -6.697 148 HD11 LEU 31 HD11 LEU 31 30.771 24.041 -8.136 149 HD12 LEU 31 HD12 LEU 31 29.692 23.803 -9.512 150 HD13 LEU 31 HD13 LEU 31 29.601 22.723 -8.118 151 HD21 LEU 31 HD21 LEU 31 28.305 26.791 -7.618 152 HD22 LEU 31 HD22 LEU 31 28.911 26.299 -9.202 153 HD23 LEU 31 HD23 LEU 31 30.018 26.424 -7.833 154 H SER 32 HN SER 32 25.166 23.762 -6.202 155 HA SER 32 HA SER 32 26.542 23.641 -3.747 156 HB2 SER 32 HB2 SER 32 24.662 25.206 -4.215 157 HB3 SER 32 HB1 SER 32 23.534 23.852 -4.218 158 HG SER 32 HG SER 32 23.579 23.826 -2.115 159 H ASP 33 HN ASP 33 24.211 21.456 -5.248 160 HA ASP 33 HA ASP 33 23.710 19.757 -3.029 161 HB2 ASP 33 HB2 ASP 33 22.232 19.885 -5.057 162 HB3 ASP 33 HB1 ASP 33 23.490 19.130 -6.018 163 H PHE 34 HN PHE 34 25.913 19.518 -5.823 164 HA PHE 34 HA PHE 34 27.088 17.032 -5.296 165 HB2 PHE 34 HB2 PHE 34 27.355 18.217 -7.453 166 HB3 PHE 34 HB1 PHE 34 28.321 19.465 -6.679 167 HD1 PHE 34 HD2 PHE 34 28.308 15.963 -7.876 168 HD2 PHE 34 HD1 PHE 34 30.658 19.035 -6.064 169 HE1 PHE 34 HE2 PHE 34 30.350 14.671 -8.283 170 HE2 PHE 34 HE1 PHE 34 32.690 17.727 -6.489 171 HZ PHE 34 HZ PHE 34 32.532 15.552 -7.594 172 H VAL 35 HN VAL 35 28.256 20.293 -4.427 173 HA VAL 35 HA VAL 35 30.563 19.602 -3.000 174 HB VAL 35 HB VAL 35 28.741 22.033 -2.787 175 HG11 VAL 35 HG11 VAL 35 29.989 21.896 -0.662 176 HG12 VAL 35 HG12 VAL 35 30.583 23.238 -1.638 177 HG13 VAL 35 HG13 VAL 35 31.509 21.739 -1.547 178 HG21 VAL 35 HG21 VAL 35 31.405 21.618 -4.203 179 HG22 VAL 35 HG22 VAL 35 30.501 23.136 -4.153 180 HG23 VAL 35 HG23 VAL 35 29.822 21.729 -4.976 181 H ARG 36 HN ARG 36 27.235 19.951 -1.914 182 HA ARG 36 HA ARG 36 27.657 19.729 0.884 183 HB2 ARG 36 HB2 ARG 36 25.639 20.747 -0.127 184 HB3 ARG 36 HB1 ARG 36 25.162 19.182 -0.781 185 HG2 ARG 36 HG2 ARG 36 24.810 18.302 1.478 186 HG3 ARG 36 HG1 ARG 36 25.419 19.804 2.185 187 HD2 ARG 36 HD2 ARG 36 23.531 21.041 1.176 188 HD3 ARG 36 HD1 ARG 36 22.931 19.536 0.469 189 HE ARG 36 HE ARG 36 23.199 19.827 3.397 190 HH11 ARG 36 HH11 ARG 36 21.150 19.258 0.603 191 HH12 ARG 36 HH12 ARG 36 19.759 18.875 1.561 192 HH21 ARG 36 HH21 ARG 36 21.345 19.338 4.634 193 HH22 ARG 36 HH22 ARG 36 19.866 18.942 3.821 194 H SER 37 HN SER 37 27.094 17.362 -1.664 195 HA SER 37 HA SER 37 26.589 15.129 0.121 196 HB2 SER 37 HB2 SER 37 25.419 15.334 -2.058 197 HB3 SER 37 HB1 SER 37 26.954 15.217 -2.917 198 HG SER 37 HG SER 37 26.369 13.169 -1.118 199 H THR 38 HN THR 38 29.258 16.234 -1.949 200 HA THR 38 HA THR 38 30.778 13.759 -1.544 201 HB THR 38 HB THR 38 32.208 14.568 -3.392 202 HG1 THR 38 HG1 THR 38 30.633 16.674 -4.144 203 HG21 THR 38 HG21 THR 38 30.162 13.302 -3.989 204 HG22 THR 38 HG22 THR 38 30.564 14.504 -5.218 205 HG23 THR 38 HG23 THR 38 29.254 14.816 -4.075 206 H GLY 39 HN GLY 39 30.765 17.132 -0.669 207 HA2 GLY 39 HA2 GLY 39 32.062 18.289 0.856 208 HA3 GLY 39 HA1 GLY 39 33.082 16.875 1.065 209 H ALA 40 HN ALA 40 32.744 17.541 -2.219 210 HA ALA 40 HA ALA 40 35.447 18.477 -2.557 211 HB1 ALA 40 HB1 ALA 40 34.349 17.031 -4.243 212 HB2 ALA 40 HB2 ALA 40 34.889 18.547 -4.959 213 HB3 ALA 40 HB3 ALA 40 33.179 18.303 -4.587 214 H GLU 41 HN GLU 41 36.067 20.566 -3.383 215 HA GLU 41 HA GLU 41 34.535 22.738 -2.247 216 HB2 GLU 41 HB2 GLU 41 36.441 24.086 -2.627 217 HB3 GLU 41 HB1 GLU 41 37.142 22.486 -2.392 218 HG2 GLU 41 HG2 GLU 41 37.223 22.253 -4.918 219 HG3 GLU 41 HG1 GLU 41 36.720 23.950 -5.016 220 HA PRO 42 HA PRO 42 31.974 23.965 -5.726 221 HB2 PRO 42 HB2 PRO 42 32.436 26.733 -5.923 222 HB3 PRO 42 HB1 PRO 42 31.371 25.974 -4.725 223 HG2 PRO 42 HG2 PRO 42 34.285 26.750 -4.443 224 HG3 PRO 42 HG1 PRO 42 32.936 27.105 -3.351 225 HD2 PRO 42 HD2 PRO 42 34.555 25.129 -2.744 226 HD3 PRO 42 HD1 PRO 42 32.800 24.847 -2.591 227 H GLY 43 HN GLY 43 35.322 25.161 -5.894 228 HA2 GLY 43 HA2 GLY 43 35.454 25.732 -8.673 229 HA3 GLY 43 HA1 GLY 43 36.823 25.397 -7.618 230 H LEU 44 HN LEU 44 36.460 22.881 -6.818 231 HA LEU 44 HA LEU 44 37.335 21.263 -8.984 232 HB2 LEU 44 HB2 LEU 44 37.956 20.862 -6.584 233 HB3 LEU 44 HB1 LEU 44 36.296 20.395 -6.250 234 HG LEU 44 HG LEU 44 36.580 18.481 -7.922 235 HD11 LEU 44 HD11 LEU 44 39.510 19.249 -7.794 236 HD12 LEU 44 HD12 LEU 44 38.460 19.366 -9.213 237 HD13 LEU 44 HD13 LEU 44 38.850 17.787 -8.533 238 HD21 LEU 44 HD21 LEU 44 37.804 17.025 -6.379 239 HD22 LEU 44 HD22 LEU 44 36.702 18.084 -5.501 240 HD23 LEU 44 HD23 LEU 44 38.434 18.433 -5.520 241 H ALA 45 HN ALA 45 34.309 21.644 -7.286 242 HA ALA 45 HA ALA 45 32.812 19.481 -8.231 243 HB1 ALA 45 HB1 ALA 45 32.163 20.797 -6.257 244 HB2 ALA 45 HB2 ALA 45 30.849 20.766 -7.436 245 HB3 ALA 45 HB3 ALA 45 31.861 22.208 -7.273 246 H ARG 46 HN ARG 46 32.820 22.873 -9.273 247 HA ARG 46 HA ARG 46 31.118 22.692 -11.491 248 HB2 ARG 46 HB2 ARG 46 31.392 24.888 -10.846 249 HB3 ARG 46 HB1 ARG 46 33.079 24.690 -10.436 250 HG2 ARG 46 HG2 ARG 46 32.339 24.714 -13.357 251 HG3 ARG 46 HG1 ARG 46 32.281 26.242 -12.473 252 HD2 ARG 46 HD2 ARG 46 34.644 25.950 -11.808 253 HD3 ARG 46 HD1 ARG 46 34.710 24.410 -12.665 254 HE ARG 46 HE ARG 46 33.940 26.223 -14.561 255 HH11 ARG 46 HH11 ARG 46 36.727 25.983 -12.420 256 HH12 ARG 46 HH12 ARG 46 37.794 26.774 -13.530 257 HH21 ARG 46 HH21 ARG 46 35.349 27.192 -16.018 258 HH22 ARG 46 HH22 ARG 46 37.007 27.451 -15.584 259 H ASP 47 HN ASP 47 34.614 22.249 -11.237 260 HA ASP 47 HA ASP 47 35.251 22.045 -13.977 261 HB2 ASP 47 HB2 ASP 47 36.960 22.343 -12.238 262 HB3 ASP 47 HB1 ASP 47 36.541 20.797 -11.510 263 H LEU 48 HN LEU 48 34.294 19.537 -11.594 264 HA LEU 48 HA LEU 48 34.481 17.305 -13.381 265 HB2 LEU 48 HB2 LEU 48 32.971 17.563 -10.746 266 HB3 LEU 48 HB1 LEU 48 33.280 16.045 -11.585 267 HG LEU 48 HG LEU 48 35.334 17.866 -10.263 268 HD11 LEU 48 HD11 LEU 48 35.769 15.961 -8.781 269 HD12 LEU 48 HD12 LEU 48 34.497 15.033 -9.582 270 HD13 LEU 48 HD13 LEU 48 34.091 16.496 -8.681 271 HD21 LEU 48 HD21 LEU 48 36.309 17.014 -12.322 272 HD22 LEU 48 HD22 LEU 48 35.860 15.362 -11.892 273 HD23 LEU 48 HD23 LEU 48 37.053 16.235 -10.929 274 H LEU 49 HN LEU 49 31.895 19.444 -12.351 275 HA LEU 49 HA LEU 49 29.697 17.964 -13.368 276 HB2 LEU 49 HB2 LEU 49 30.025 20.813 -12.395 277 HB3 LEU 49 HB1 LEU 49 28.505 20.292 -13.111 278 HG LEU 49 HG LEU 49 29.751 18.854 -10.726 279 HD11 LEU 49 HD11 LEU 49 29.309 21.177 -10.070 280 HD12 LEU 49 HD12 LEU 49 28.229 20.051 -9.251 281 HD13 LEU 49 HD13 LEU 49 27.633 21.018 -10.604 282 HD21 LEU 49 HD21 LEU 49 26.933 18.801 -11.879 283 HD22 LEU 49 HD22 LEU 49 27.476 17.941 -10.433 284 HD23 LEU 49 HD23 LEU 49 28.143 17.520 -12.005 285 H GLU 50 HN GLU 50 31.368 20.880 -14.644 286 HA GLU 50 HA GLU 50 29.914 21.242 -16.993 287 HB2 GLU 50 HB2 GLU 50 32.831 21.883 -16.413 288 HB3 GLU 50 HB1 GLU 50 32.001 22.416 -17.867 289 HG2 GLU 50 HG2 GLU 50 30.336 23.572 -16.325 290 HG3 GLU 50 HG1 GLU 50 31.452 23.231 -15.009 291 H GLY 51 HN GLY 51 32.665 19.134 -16.354 292 HA2 GLY 51 HA2 GLY 51 33.183 18.238 -19.005 293 HA3 GLY 51 HA1 GLY 51 33.675 17.446 -17.515 294 H LYS 52 HN LYS 52 30.727 17.363 -16.688 295 HA LYS 52 HA LYS 52 29.917 14.969 -18.239 296 HB2 LYS 52 HB2 LYS 52 28.888 15.818 -15.485 297 HB3 LYS 52 HB1 LYS 52 28.654 14.264 -16.283 298 HG2 LYS 52 HG2 LYS 52 31.209 15.378 -15.113 299 HG3 LYS 52 HG1 LYS 52 30.285 13.989 -14.538 300 HD2 LYS 52 HD2 LYS 52 30.926 12.707 -16.518 301 HD3 LYS 52 HD1 LYS 52 31.716 14.120 -17.227 302 HE2 LYS 52 HE2 LYS 52 32.578 12.655 -14.709 303 HE3 LYS 52 HE1 LYS 52 33.385 12.624 -16.280 304 HZ1 LYS 52 HZ1 LYS 52 34.438 14.138 -14.670 305 HZ2 LYS 52 HZ2 LYS 52 33.025 15.068 -14.622 306 HZ3 LYS 52 HZ3 LYS 52 33.907 14.946 -16.059 307 H ASN 53 HN ASN 53 29.403 18.004 -18.705 308 HA ASN 53 HA ASN 53 27.825 19.378 -19.571 309 HB2 ASN 53 HB2 ASN 53 27.425 17.313 -21.023 310 HB3 ASN 53 HB1 ASN 53 26.115 16.873 -19.940 311 HD21 ASN 53 HD21 ASN 53 24.561 17.000 -21.571 312 HD22 ASN 53 HD22 ASN 53 24.041 18.502 -22.252 313 H TRP 54 HN TRP 54 27.979 19.201 -16.905 314 HA TRP 54 HA TRP 54 27.153 19.523 -14.858 315 HB2 TRP 54 HB2 TRP 54 25.113 20.958 -16.549 316 HB3 TRP 54 HB1 TRP 54 24.976 20.961 -14.796 317 HD1 TRP 54 HD1 TRP 54 27.174 22.331 -17.621 318 HE1 TRP 54 HE1 TRP 54 28.677 24.174 -16.662 319 HE3 TRP 54 HE3 TRP 54 26.087 21.771 -12.669 320 HZ2 TRP 54 HZ2 TRP 54 29.337 25.246 -14.149 321 HZ3 TRP 54 HZ3 TRP 54 27.199 23.244 -11.036 322 HH2 TRP 54 HH2 TRP 54 28.792 24.951 -11.767 323 H ASP 55 HN ASP 55 26.349 16.985 -16.197 324 HA ASP 55 HA ASP 55 23.884 16.235 -14.911 325 HB2 ASP 55 HB2 ASP 55 24.849 15.028 -16.945 326 HB3 ASP 55 HB1 ASP 55 26.071 14.338 -15.887 327 H LEU 56 HN LEU 56 23.763 16.279 -12.811 328 HA LEU 56 HA LEU 56 25.738 16.414 -10.887 329 HB2 LEU 56 HB2 LEU 56 23.378 17.041 -10.518 330 HB3 LEU 56 HB1 LEU 56 22.891 15.361 -10.657 331 HG LEU 56 HG LEU 56 24.136 14.839 -8.545 332 HD11 LEU 56 HD11 LEU 56 24.928 16.672 -7.091 333 HD12 LEU 56 HD12 LEU 56 24.636 17.834 -8.387 334 HD13 LEU 56 HD13 LEU 56 25.856 16.572 -8.589 335 HD21 LEU 56 HD21 LEU 56 21.733 15.315 -8.479 336 HD22 LEU 56 HD22 LEU 56 22.058 17.042 -8.286 337 HD23 LEU 56 HD23 LEU 56 22.526 15.905 -7.019 338 H THR 57 HN THR 57 23.901 13.554 -11.953 339 HA THR 57 HA THR 57 24.878 11.721 -10.041 340 HB THR 57 HB THR 57 23.720 10.968 -12.765 341 HG1 THR 57 HG1 THR 57 21.971 11.989 -12.168 342 HG21 THR 57 HG21 THR 57 23.476 9.640 -10.039 343 HG22 THR 57 HG22 THR 57 24.504 9.072 -11.362 344 HG23 THR 57 HG23 THR 57 22.744 9.070 -11.532 345 H ALA 58 HN ALA 58 26.033 12.577 -13.266 346 HA ALA 58 HA ALA 58 27.878 10.357 -13.567 347 HB1 ALA 58 HB1 ALA 58 28.571 11.483 -15.637 348 HB2 ALA 58 HB2 ALA 58 27.634 12.910 -15.186 349 HB3 ALA 58 HB3 ALA 58 26.807 11.392 -15.533 350 H ALA 59 HN ALA 59 28.068 13.730 -12.517 351 HA ALA 59 HA ALA 59 30.940 13.793 -12.274 352 HB1 ALA 59 HB1 ALA 59 28.864 15.577 -10.963 353 HB2 ALA 59 HB2 ALA 59 29.643 15.868 -12.520 354 HB3 ALA 59 HB3 ALA 59 30.602 15.887 -11.039 355 H LEU 60 HN LEU 60 28.233 13.062 -10.089 356 HA LEU 60 HA LEU 60 29.589 12.598 -7.669 357 HB2 LEU 60 HB2 LEU 60 27.115 11.246 -8.818 358 HB3 LEU 60 HB1 LEU 60 27.675 10.989 -7.173 359 HG LEU 60 HG LEU 60 26.770 13.683 -8.269 360 HD11 LEU 60 HD11 LEU 60 24.897 12.107 -8.219 361 HD12 LEU 60 HD12 LEU 60 24.707 13.352 -6.989 362 HD13 LEU 60 HD13 LEU 60 25.230 11.729 -6.527 363 HD21 LEU 60 HD21 LEU 60 28.357 13.902 -6.413 364 HD22 LEU 60 HD22 LEU 60 27.369 12.832 -5.414 365 HD23 LEU 60 HD23 LEU 60 26.741 14.401 -5.923 366 H SER 61 HN SER 61 28.858 10.465 -10.408 367 HA SER 61 HA SER 61 30.016 8.069 -9.445 368 HB2 SER 61 HB2 SER 61 28.373 8.159 -11.320 369 HB3 SER 61 HB1 SER 61 29.578 8.943 -12.336 370 HG SER 61 HG SER 61 29.481 6.293 -11.398 371 H ASP 62 HN ASP 62 31.314 10.765 -11.329 372 HA ASP 62 HA ASP 62 33.863 9.661 -11.947 373 HB2 ASP 62 HB2 ASP 62 32.854 11.581 -13.174 374 HB3 ASP 62 HB1 ASP 62 32.981 12.572 -11.724 375 H TYR 63 HN TYR 63 32.680 11.728 -9.308 376 HA TYR 63 HA TYR 63 35.161 12.227 -8.051 377 HB2 TYR 63 HB2 TYR 63 33.169 13.657 -7.746 378 HB3 TYR 63 HB1 TYR 63 32.357 12.358 -6.874 379 HD1 TYR 63 HD2 TYR 63 35.094 14.867 -6.703 380 HD2 TYR 63 HD1 TYR 63 32.978 11.848 -4.532 381 HE1 TYR 63 HE2 TYR 63 36.107 15.644 -4.595 382 HE2 TYR 63 HE1 TYR 63 34.008 12.628 -2.449 383 HH TYR 63 HH TYR 63 35.540 15.561 -2.137 384 H GLU 64 HN GLU 64 32.598 9.812 -7.367 385 HA GLU 64 HA GLU 64 33.836 8.721 -5.048 386 HB2 GLU 64 HB2 GLU 64 32.235 6.877 -5.222 387 HB3 GLU 64 HB1 GLU 64 31.416 8.403 -5.556 388 HG2 GLU 64 HG2 GLU 64 31.615 7.899 -8.006 389 HG3 GLU 64 HG1 GLU 64 32.296 6.332 -7.595 390 H GLN 65 HN GLN 65 34.181 8.121 -8.493 391 HA GLN 65 HA GLN 65 35.642 5.703 -8.453 392 HB2 GLN 65 HB2 GLN 65 34.540 6.638 -10.478 393 HB3 GLN 65 HB1 GLN 65 35.707 7.952 -10.516 394 HG2 GLN 65 HG2 GLN 65 36.283 6.259 -12.164 395 HG3 GLN 65 HG1 GLN 65 37.524 6.338 -10.912 396 HE21 GLN 65 HE21 GLN 65 34.377 4.694 -10.591 397 HE22 GLN 65 HE22 GLN 65 35.027 3.099 -10.490 398 H LEU 66 HN LEU 66 36.778 9.120 -8.555 399 HA LEU 66 HA LEU 66 39.568 8.444 -8.499 400 HB2 LEU 66 HB2 LEU 66 39.995 10.861 -8.184 401 HB3 LEU 66 HB1 LEU 66 38.880 10.544 -9.494 402 HG LEU 66 HG LEU 66 37.025 11.110 -7.692 403 HD11 LEU 66 HD11 LEU 66 37.631 12.820 -6.063 404 HD12 LEU 66 HD12 LEU 66 39.339 12.624 -6.464 405 HD13 LEU 66 HD13 LEU 66 38.445 11.294 -5.721 406 HD21 LEU 66 HD21 LEU 66 37.361 12.390 -9.733 407 HD22 LEU 66 HD22 LEU 66 38.668 13.302 -8.972 408 HD23 LEU 66 HD23 LEU 66 37.012 13.456 -8.371 409 H ARG 67 HN ARG 67 37.140 8.700 -6.069 410 HA ARG 67 HA ARG 67 38.967 8.891 -3.827 411 HB2 ARG 67 HB2 ARG 67 35.974 8.411 -4.054 412 HB3 ARG 67 HB1 ARG 67 36.811 8.304 -2.507 413 HG2 ARG 67 HG2 ARG 67 36.685 10.777 -4.280 414 HG3 ARG 67 HG1 ARG 67 35.746 10.499 -2.803 415 HD2 ARG 67 HD2 ARG 67 37.852 10.357 -1.510 416 HD3 ARG 67 HD1 ARG 67 38.775 10.683 -2.981 417 HE ARG 67 HE ARG 67 36.843 12.721 -2.428 418 HH11 ARG 67 HH11 ARG 67 40.085 11.656 -1.597 419 HH12 ARG 67 HH12 ARG 67 40.553 13.206 -0.982 420 HH21 ARG 67 HH21 ARG 67 37.479 14.730 -1.651 421 HH22 ARG 67 HH22 ARG 67 39.075 14.950 -1.016 422 H GLN 68 HN GLN 68 37.454 6.289 -5.671 423 HA GLN 68 HA GLN 68 38.060 4.201 -3.769 424 HB2 GLN 68 HB2 GLN 68 37.265 4.067 -6.714 425 HB3 GLN 68 HB1 GLN 68 37.497 2.642 -5.701 426 HG2 GLN 68 HG2 GLN 68 35.408 4.809 -5.339 427 HG3 GLN 68 HG1 GLN 68 35.134 3.166 -5.915 428 HE21 GLN 68 HE21 GLN 68 35.734 5.199 -3.149 429 HE22 GLN 68 HE22 GLN 68 35.386 4.017 -1.937 430 H VAL 69 HN VAL 69 39.557 5.491 -6.697 431 HA VAL 69 HA VAL 69 41.532 5.226 -7.761 432 HB VAL 69 HB VAL 69 42.636 4.551 -4.996 433 HG11 VAL 69 HG11 VAL 69 44.247 3.985 -6.788 434 HG12 VAL 69 HG12 VAL 69 44.808 5.370 -5.855 435 HG13 VAL 69 HG13 VAL 69 44.102 5.617 -7.453 436 HG21 VAL 69 HG21 VAL 69 42.362 7.273 -6.342 437 HG22 VAL 69 HG22 VAL 69 43.153 6.956 -4.795 438 HG23 VAL 69 HG23 VAL 69 41.418 6.692 -4.964 439 H HIS 70 HN HIS 70 40.813 3.452 -8.973 440 HA HIS 70 HA HIS 70 41.408 0.719 -8.089 441 HB2 HIS 70 HB2 HIS 70 40.000 1.795 -10.588 442 HB3 HIS 70 HB1 HIS 70 40.237 0.080 -10.245 443 HD1 HIS 70 HD1 HIS 70 37.468 1.811 -10.403 444 HD2 HIS 70 HD2 HIS 70 39.297 0.204 -7.039 445 HE1 HIS 70 HE1 HIS 70 35.642 1.572 -8.699 446 HE2 HIS 70 HE2 HIS 70 36.744 0.415 -6.756 447 H THR 71 HN THR 71 42.149 2.851 -10.859 448 HA THR 71 HA THR 71 44.619 1.289 -11.421 449 HB THR 71 HB THR 71 44.469 2.337 -13.737 450 HG1 THR 71 HG1 THR 71 42.452 3.255 -14.339 451 HG21 THR 71 HG21 THR 71 43.693 0.014 -13.345 452 HG22 THR 71 HG22 THR 71 42.715 0.812 -14.580 453 HG23 THR 71 HG23 THR 71 42.086 0.624 -12.942 454 H ALA 72 HN ALA 72 43.276 4.606 -11.699 455 HA ALA 72 HA ALA 72 44.096 6.679 -11.548 456 HB1 ALA 72 HB1 ALA 72 44.554 6.112 -9.199 457 HB2 ALA 72 HB2 ALA 72 45.774 7.225 -9.823 458 HB3 ALA 72 HB3 ALA 72 46.149 5.507 -9.635 459 H ASN 73 HN ASN 73 44.800 7.215 -13.542 460 HA ASN 73 HA ASN 73 47.064 6.155 -14.883 461 HB2 ASN 73 HB2 ASN 73 45.501 8.719 -15.431 462 HB3 ASN 73 HB1 ASN 73 46.690 8.020 -16.525 463 HD21 ASN 73 HD21 ASN 73 45.915 5.235 -16.146 464 HD22 ASN 73 HD22 ASN 73 44.378 5.063 -16.919 465 H LEU 74 HN LEU 74 48.761 6.342 -13.428 466 HA LEU 74 HA LEU 74 49.754 8.863 -12.467 467 HB2 LEU 74 HB2 LEU 74 51.559 7.645 -11.432 468 HB3 LEU 74 HB1 LEU 74 50.079 6.748 -11.167 469 HG LEU 74 HG LEU 74 52.195 5.989 -13.235 470 HD11 LEU 74 HD11 LEU 74 53.113 5.803 -10.984 471 HD12 LEU 74 HD12 LEU 74 52.873 4.208 -11.690 472 HD13 LEU 74 HD13 LEU 74 51.743 4.813 -10.472 473 HD21 LEU 74 HD21 LEU 74 49.788 4.408 -12.248 474 HD22 LEU 74 HD22 LEU 74 51.058 3.783 -13.305 475 HD23 LEU 74 HD23 LEU 74 50.015 5.087 -13.864 476 HA PRO 75 HA PRO 75 52.017 9.902 -16.232 477 HB2 PRO 75 HB2 PRO 75 53.655 11.735 -14.527 478 HB3 PRO 75 HB1 PRO 75 52.598 12.117 -15.892 479 HG2 PRO 75 HG2 PRO 75 51.894 12.729 -13.369 480 HG3 PRO 75 HG1 PRO 75 50.681 12.202 -14.557 481 HD2 PRO 75 HD2 PRO 75 52.029 10.590 -12.375 482 HD3 PRO 75 HD1 PRO 75 50.307 10.650 -12.830 483 H HIS 76 HN HIS 76 54.013 9.579 -17.199 484 HA HIS 76 HA HIS 76 55.877 7.757 -15.831 485 HB2 HIS 76 HB2 HIS 76 55.499 8.437 -18.786 486 HB3 HIS 76 HB1 HIS 76 56.705 7.311 -18.176 487 HD1 HIS 76 HD1 HIS 76 56.001 4.944 -18.103 488 HD2 HIS 76 HD2 HIS 76 52.717 7.486 -18.108 489 HE1 HIS 76 HE1 HIS 76 53.996 3.442 -18.248 490 HE2 HIS 76 HE2 HIS 76 52.038 5.009 -18.449 491 H VAL 77 HN VAL 77 55.695 10.932 -15.868 492 HA VAL 77 HA VAL 77 58.367 11.662 -16.719 493 HB VAL 77 HB VAL 77 56.571 13.298 -17.043 494 HG11 VAL 77 HG11 VAL 77 55.075 12.749 -15.159 495 HG12 VAL 77 HG12 VAL 77 55.429 14.478 -15.194 496 HG13 VAL 77 HG13 VAL 77 56.238 13.433 -14.024 497 HG21 VAL 77 HG21 VAL 77 58.852 14.162 -16.723 498 HG22 VAL 77 HG22 VAL 77 58.596 14.250 -14.980 499 HG23 VAL 77 HG23 VAL 77 57.676 15.300 -16.056 500 H PHE 78 HN PHE 78 59.783 10.506 -15.490 501 HA PHE 78 HA PHE 78 59.691 10.443 -12.582 502 HB2 PHE 78 HB2 PHE 78 61.805 9.438 -14.546 503 HB3 PHE 78 HB1 PHE 78 61.856 9.183 -12.800 504 HD1 PHE 78 HD2 PHE 78 59.926 7.894 -11.700 505 HD2 PHE 78 HD1 PHE 78 60.551 7.919 -15.931 506 HE1 PHE 78 HE2 PHE 78 58.524 5.889 -11.926 507 HE2 PHE 78 HE1 PHE 78 59.134 5.918 -16.144 508 HZ PHE 78 HZ PHE 78 58.127 4.900 -14.142 509 H ASN 79 HN ASN 79 60.136 12.291 -11.577 510 HA ASN 79 HA ASN 79 62.624 13.747 -12.119 511 HB2 ASN 79 HB2 ASN 79 61.358 15.951 -11.861 512 HB3 ASN 79 HB1 ASN 79 61.062 15.089 -13.364 513 HD21 ASN 79 HD21 ASN 79 59.121 16.258 -13.651 514 HD22 ASN 79 HD22 ASN 79 57.690 15.894 -12.756 515 H GLU 80 HN GLU 80 63.245 15.144 -10.331 516 HA GLU 80 HA GLU 80 63.706 15.656 -8.206 517 HB2 GLU 80 HB2 GLU 80 60.851 14.771 -7.570 518 HB3 GLU 80 HB1 GLU 80 61.887 15.756 -6.533 519 HG2 GLU 80 HG2 GLU 80 60.759 16.536 -9.245 520 HG3 GLU 80 HG1 GLU 80 60.253 17.153 -7.671 521 H GLY 81 HN GLY 81 63.613 12.633 -9.213 522 HA2 GLY 81 HA2 GLY 81 63.905 11.225 -6.646 523 HA3 GLY 81 HA1 GLY 81 63.880 10.506 -8.256 524 H ARG 82 HN ARG 82 65.802 12.999 -6.602 525 HA ARG 82 HA ARG 82 68.233 12.178 -7.998 526 HB2 ARG 82 HB2 ARG 82 67.668 14.487 -6.071 527 HB3 ARG 82 HB1 ARG 82 69.209 14.235 -6.895 528 HG2 ARG 82 HG2 ARG 82 68.095 14.516 -9.085 529 HG3 ARG 82 HG1 ARG 82 66.542 14.741 -8.275 530 HD2 ARG 82 HD2 ARG 82 67.364 16.797 -7.221 531 HD3 ARG 82 HD1 ARG 82 68.956 16.563 -7.949 532 HE ARG 82 HE ARG 82 68.070 17.078 -10.067 533 HH11 ARG 82 HH11 ARG 82 65.622 17.453 -7.555 534 HH12 ARG 82 HH12 ARG 82 64.557 18.370 -8.569 535 HH21 ARG 82 HH21 ARG 82 66.655 18.297 -11.375 536 HH22 ARG 82 HH22 ARG 82 65.156 18.873 -10.712 537 H GLY 83 HN GLY 83 67.441 12.855 -4.562 538 HA2 GLY 83 HA2 GLY 83 67.921 11.729 -2.630 539 HA3 GLY 83 HA1 GLY 83 68.485 10.363 -3.580
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