NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
545587 | 2ls7 | 18412 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -16.103 1.398 2.127 2 H2 MET 1 H2 MET 1 -16.089 0.797 0.550 3 H3 MET 1 H3 MET 1 -14.978 0.230 1.698 4 HA MET 1 HA MET 1 -13.763 1.655 0.270 5 HB2 MET 1 HB3 MET 1 -15.792 3.728 1.091 6 HB3 MET 1 HB2 MET 1 -14.372 4.044 0.120 7 HG2 MET 1 HG3 MET 1 -15.305 2.640 -1.667 8 HG3 MET 1 HG2 MET 1 -16.745 2.375 -0.674 9 HE1 MET 1 HE1 MET 1 -16.918 3.468 -3.585 10 HE2 MET 1 HE2 MET 1 -17.952 4.900 -3.489 11 HE3 MET 1 HE3 MET 1 -18.405 3.421 -2.625 12 H ALA 2 H ALA 2 -15.365 2.900 2.983 13 HA ALA 2 HA ALA 2 -13.171 4.349 4.089 14 HB1 ALA 2 HB1 ALA 2 -15.613 3.357 5.571 15 HB2 ALA 2 HB2 ALA 2 -15.340 4.974 4.912 16 HB3 ALA 2 HB3 ALA 2 -14.398 4.403 6.293 17 H GLU 3 H GLU 3 -14.283 1.308 5.339 18 HA GLU 3 HA GLU 3 -12.344 0.842 7.062 19 HB2 GLU 3 HB3 GLU 3 -13.412 -1.319 5.185 20 HB3 GLU 3 HB2 GLU 3 -12.549 -1.651 6.673 21 HG2 GLU 3 HG3 GLU 3 -14.864 -2.019 7.060 22 HG3 GLU 3 HG2 GLU 3 -14.418 -0.552 7.910 23 H TYR 4 H TYR 4 -12.168 0.356 3.975 24 HA TYR 4 HA TYR 4 -9.533 -0.646 3.534 25 HB2 TYR 4 HB3 TYR 4 -10.927 -0.495 1.515 26 HB3 TYR 4 HB2 TYR 4 -10.679 1.285 1.462 27 HD1 TYR 4 HD1 TYR 4 -8.442 -1.644 1.887 28 HD2 TYR 4 HD2 TYR 4 -9.425 1.744 -0.476 29 HE1 TYR 4 HE1 TYR 4 -6.543 -2.116 0.410 30 HE2 TYR 4 HE2 TYR 4 -7.505 1.292 -1.915 31 HH TYR 4 HH TYR 4 -6.178 -0.758 -2.555 32 H GLY 5 H GLY 5 -10.784 2.451 3.607 33 HA2 GLY 5 HA3 GLY 5 -8.596 4.277 3.419 34 HA3 GLY 5 HA2 GLY 5 -9.999 4.613 4.432 35 H THR 6 H THR 6 -9.842 2.734 6.510 36 HA THR 6 HA THR 6 -7.692 3.648 8.126 37 HB THR 6 HB THR 6 -9.507 1.249 8.433 38 HG1 THR 6 HG1 THR 6 -9.831 4.008 9.040 39 HG21 THR 6 HG21 THR 6 -7.975 3.010 10.288 40 HG22 THR 6 HG22 THR 6 -7.698 1.290 9.972 41 HG23 THR 6 HG23 THR 6 -9.158 1.802 10.848 42 H LEU 7 H LEU 7 -8.383 0.748 6.442 43 HA LEU 7 HA LEU 7 -6.152 -0.857 6.949 44 HB2 LEU 7 HB3 LEU 7 -7.863 -1.666 5.584 45 HB3 LEU 7 HB2 LEU 7 -7.567 -0.484 4.350 46 HG LEU 7 HG LEU 7 -7.010 -2.837 4.046 47 HD11 LEU 7 HD11 LEU 7 -6.259 -1.127 2.518 48 HD12 LEU 7 HD12 LEU 7 -4.972 -2.334 2.669 49 HD13 LEU 7 HD13 LEU 7 -4.846 -0.775 3.524 50 HD21 LEU 7 HD21 LEU 7 -4.306 -2.478 5.139 51 HD22 LEU 7 HD22 LEU 7 -5.326 -3.910 5.042 52 HD23 LEU 7 HD23 LEU 7 -5.611 -2.711 6.299 53 H LEU 8 H LEU 8 -6.207 1.362 4.485 54 HA LEU 8 HA LEU 8 -3.393 1.522 3.812 55 HB2 LEU 8 HB3 LEU 8 -5.349 3.810 3.517 56 HB3 LEU 8 HB2 LEU 8 -3.651 3.893 3.086 57 HG LEU 8 HG LEU 8 -3.925 2.325 1.286 58 HD11 LEU 8 HD11 LEU 8 -5.516 0.792 2.321 59 HD12 LEU 8 HD12 LEU 8 -6.073 1.299 0.727 60 HD13 LEU 8 HD13 LEU 8 -6.776 1.993 2.179 61 HD21 LEU 8 HD21 LEU 8 -4.521 4.200 0.223 62 HD22 LEU 8 HD22 LEU 8 -5.605 4.667 1.530 63 HD23 LEU 8 HD23 LEU 8 -6.148 3.517 0.276 64 H GLN 9 H GLN 9 -5.206 3.173 6.193 65 HA GLN 9 HA GLN 9 -3.107 4.760 7.230 66 HB2 GLN 9 HB3 GLN 9 -5.152 5.741 7.424 67 HB3 GLN 9 HB2 GLN 9 -5.916 4.209 7.832 68 HG2 GLN 9 HG3 GLN 9 -5.416 4.262 9.793 69 HG3 GLN 9 HG2 GLN 9 -3.950 5.312 9.769 70 HE21 GLN 9 HE22 GLN 9 -4.317 7.312 10.243 71 HE22 GLN 9 HE21 GLN 9 -5.832 8.063 10.657 72 H ASP 10 H ASP 10 -4.063 1.809 7.807 73 HA ASP 10 HA ASP 10 -2.810 1.617 10.378 74 HB2 ASP 10 HB3 ASP 10 -4.459 -0.583 9.270 75 HB3 ASP 10 HB2 ASP 10 -3.228 -0.920 10.493 76 H LEU 11 H LEU 11 -1.994 0.660 7.197 77 HA LEU 11 HA LEU 11 0.348 -0.467 8.223 78 HB2 LEU 11 HB3 LEU 11 0.981 -0.814 5.942 79 HB3 LEU 11 HB2 LEU 11 -0.586 -1.533 6.284 80 HG LEU 11 HG LEU 11 -1.452 0.643 5.191 81 HD11 LEU 11 HD11 LEU 11 1.219 1.133 5.144 82 HD12 LEU 11 HD12 LEU 11 0.015 1.969 4.164 83 HD13 LEU 11 HD13 LEU 11 0.904 0.604 3.494 84 HD21 LEU 11 HD21 LEU 11 -1.826 -0.594 3.287 85 HD22 LEU 11 HD22 LEU 11 -1.403 -1.865 4.422 86 HD23 LEU 11 HD23 LEU 11 -0.213 -1.272 3.259 87 H THR 12 H THR 12 -0.869 2.419 7.142 88 HA THR 12 HA THR 12 1.477 3.999 6.771 89 HB THR 12 HB THR 12 -1.387 4.702 7.327 90 HG1 THR 12 HG1 THR 12 -1.138 3.999 5.306 91 HG21 THR 12 HG21 THR 12 0.862 6.372 7.555 92 HG22 THR 12 HG22 THR 12 -0.891 6.688 7.796 93 HG23 THR 12 HG23 THR 12 -0.174 6.780 6.124 94 H ASN 13 H ASN 13 -0.454 3.189 9.566 95 HA ASN 13 HA ASN 13 0.858 4.842 11.505 96 HB2 ASN 13 HB3 ASN 13 -0.568 2.177 11.955 97 HB3 ASN 13 HB2 ASN 13 0.078 3.169 13.253 98 HD21 ASN 13 HD22 ASN 13 -2.741 2.246 12.033 99 HD22 ASN 13 HD21 ASN 13 -3.623 3.699 12.183 100 H ASN 14 H ASN 14 1.510 1.751 10.129 101 HA ASN 14 HA ASN 14 3.794 1.260 11.850 102 HB2 ASN 14 HB3 ASN 14 2.601 -0.414 9.608 103 HB3 ASN 14 HB2 ASN 14 3.996 -0.884 10.548 104 HD21 ASN 14 HD22 ASN 14 0.687 -1.156 10.326 105 HD22 ASN 14 HD21 ASN 14 0.426 -1.715 11.934 106 H ILE 15 H ILE 15 3.166 2.759 8.934 107 HA ILE 15 HA ILE 15 5.644 2.249 7.607 108 HB ILE 15 HB ILE 15 3.268 3.961 7.081 109 HG12 ILE 15 HG13 ILE 15 3.371 1.649 6.277 110 HG13 ILE 15 HG12 ILE 15 3.166 2.804 4.974 111 HG21 ILE 15 HG21 ILE 15 4.248 5.585 6.019 112 HG22 ILE 15 HG22 ILE 15 4.919 4.389 4.900 113 HG23 ILE 15 HG23 ILE 15 5.853 4.883 6.323 114 HD11 ILE 15 HD11 ILE 15 5.861 2.629 5.089 115 HD12 ILE 15 HD12 ILE 15 4.867 1.709 3.977 116 HD13 ILE 15 HD13 ILE 15 5.406 0.973 5.497 117 H THR 16 H THR 16 7.469 3.038 8.227 118 HA THR 16 HA THR 16 7.713 5.649 9.343 119 HB THR 16 HB THR 16 10.064 5.070 9.624 120 HG1 THR 16 HG1 THR 16 9.422 2.458 8.837 121 HG21 THR 16 HG21 THR 16 8.367 4.455 11.207 122 HG22 THR 16 HG22 THR 16 9.855 3.437 11.253 123 HG23 THR 16 HG23 THR 16 8.382 2.854 10.378 124 H LEU 17 H LEU 17 9.068 6.893 8.341 125 HA LEU 17 HA LEU 17 8.873 7.299 5.521 126 HB2 LEU 17 HB3 LEU 17 9.667 8.999 7.081 127 HB3 LEU 17 HB2 LEU 17 11.213 8.193 7.193 128 HG LEU 17 HG LEU 17 11.054 10.182 5.829 129 HD11 LEU 17 HD11 LEU 17 12.010 8.826 3.595 130 HD12 LEU 17 HD12 LEU 17 12.212 7.620 4.875 131 HD13 LEU 17 HD13 LEU 17 12.979 9.191 5.029 132 HD21 LEU 17 HD21 LEU 17 9.353 10.464 4.450 133 HD22 LEU 17 HD22 LEU 17 8.959 8.751 4.478 134 HD23 LEU 17 HD23 LEU 17 10.158 9.355 3.349 135 H GLU 18 H GLU 18 11.415 5.701 7.367 136 HA GLU 18 HA GLU 18 12.907 4.724 5.229 137 HB2 GLU 18 HB3 GLU 18 12.647 3.552 8.014 138 HB3 GLU 18 HB2 GLU 18 13.815 2.989 6.837 139 HG2 GLU 18 HG3 GLU 18 14.924 4.439 8.387 140 HG3 GLU 18 HG2 GLU 18 14.873 5.232 6.827 141 H ASP 19 H ASP 19 10.451 3.145 6.941 142 HA ASP 19 HA ASP 19 10.308 0.709 5.525 143 HB2 ASP 19 HB3 ASP 19 7.967 2.176 6.761 144 HB3 ASP 19 HB2 ASP 19 7.701 0.605 5.950 145 H LEU 20 H LEU 20 8.500 3.516 4.730 146 HA LEU 20 HA LEU 20 7.668 2.727 2.286 147 HB2 LEU 20 HB3 LEU 20 8.289 5.477 3.061 148 HB3 LEU 20 HB2 LEU 20 7.846 5.097 1.404 149 HG LEU 20 HG LEU 20 6.171 4.505 3.823 150 HD11 LEU 20 HD11 LEU 20 4.829 6.340 3.022 151 HD12 LEU 20 HD12 LEU 20 5.852 6.546 1.615 152 HD13 LEU 20 HD13 LEU 20 6.476 6.897 3.222 153 HD21 LEU 20 HD21 LEU 20 4.474 4.133 1.901 154 HD22 LEU 20 HD22 LEU 20 5.624 2.844 2.237 155 HD23 LEU 20 HD23 LEU 20 5.903 3.920 0.879 156 H GLU 21 H GLU 21 10.797 4.021 2.885 157 HA GLU 21 HA GLU 21 11.816 4.293 0.296 158 HB2 GLU 21 HB3 GLU 21 13.077 3.299 2.847 159 HB3 GLU 21 HB2 GLU 21 14.012 3.397 1.376 160 HG2 GLU 21 HG3 GLU 21 12.595 5.753 2.558 161 HG3 GLU 21 HG2 GLU 21 14.243 5.303 3.020 162 H GLN 22 H GLN 22 11.512 1.616 2.307 163 HA GLN 22 HA GLN 22 12.775 -0.253 0.559 164 HB2 GLN 22 HB3 GLN 22 12.777 -0.607 2.964 165 HB3 GLN 22 HB2 GLN 22 11.049 -0.906 2.928 166 HG2 GLN 22 HG3 GLN 22 11.341 -2.869 1.601 167 HG3 GLN 22 HG2 GLN 22 13.084 -2.579 1.486 168 HE21 GLN 22 HE22 GLN 22 10.741 -4.212 3.094 169 HE22 GLN 22 HE21 GLN 22 11.640 -4.634 4.539 170 H LEU 23 H LEU 23 9.274 0.343 1.204 171 HA LEU 23 HA LEU 23 8.371 -1.486 -0.622 172 HB2 LEU 23 HB3 LEU 23 7.268 1.210 0.217 173 HB3 LEU 23 HB2 LEU 23 6.356 -0.052 -0.574 174 HG LEU 23 HG LEU 23 7.566 -0.220 2.142 175 HD11 LEU 23 HD11 LEU 23 4.723 0.099 1.201 176 HD12 LEU 23 HD12 LEU 23 5.729 1.327 1.970 177 HD13 LEU 23 HD13 LEU 23 5.260 -0.117 2.881 178 HD21 LEU 23 HD21 LEU 23 7.169 -2.371 0.603 179 HD22 LEU 23 HD22 LEU 23 5.519 -2.081 1.174 180 HD23 LEU 23 HD23 LEU 23 6.836 -2.353 2.327 181 H LYS 24 H LYS 24 9.316 1.700 -0.881 182 HA LYS 24 HA LYS 24 8.740 2.187 -3.663 183 HB2 LYS 24 HB3 LYS 24 10.971 3.558 -2.152 184 HB3 LYS 24 HB2 LYS 24 10.417 4.021 -3.733 185 HG2 LYS 24 HG3 LYS 24 8.739 4.202 -1.191 186 HG3 LYS 24 HG2 LYS 24 9.592 5.550 -1.950 187 HD2 LYS 24 HD3 LYS 24 7.356 5.832 -2.439 188 HD3 LYS 24 HD2 LYS 24 8.042 5.106 -3.879 189 HE2 LYS 24 HE3 LYS 24 6.540 3.540 -1.787 190 HE3 LYS 24 HE2 LYS 24 5.775 4.315 -3.148 191 HZ1 LYS 24 HZ1 LYS 24 6.028 2.221 -3.899 192 HZ2 LYS 24 HZ2 LYS 24 7.470 1.957 -3.067 193 HZ3 LYS 24 HZ3 LYS 24 7.470 2.915 -4.461 194 H SER 25 H SER 25 11.336 1.286 -2.261 195 HA SER 25 HA SER 25 13.229 0.680 -4.351 196 HB2 SER 25 HB3 SER 25 13.254 -0.895 -1.719 197 HB3 SER 25 HB2 SER 25 14.532 -0.955 -2.933 198 HG SER 25 HG SER 25 13.703 1.253 -1.352 199 H ALA 26 H ALA 26 11.093 -1.333 -2.863 200 HA ALA 26 HA ALA 26 11.222 -3.506 -4.752 201 HB1 ALA 26 HB1 ALA 26 9.630 -2.948 -2.454 202 HB2 ALA 26 HB2 ALA 26 9.824 -4.500 -3.272 203 HB3 ALA 26 HB3 ALA 26 8.556 -3.384 -3.778 204 H CYS 27 H CYS 27 9.026 -0.705 -4.522 205 HA CYS 27 HA CYS 27 7.700 -1.323 -6.909 206 HB2 CYS 27 HB3 CYS 27 7.871 1.281 -5.516 207 HB3 CYS 27 HB2 CYS 27 6.760 0.784 -6.798 208 HG CYS 27 HG CYS 27 5.389 -1.005 -5.198 209 H LYS 28 H LYS 28 10.804 -0.176 -6.817 210 HA LYS 28 HA LYS 28 10.854 2.186 -8.123 211 HB2 LYS 28 HB3 LYS 28 12.715 -0.114 -8.450 212 HB3 LYS 28 HB2 LYS 28 13.095 1.477 -9.147 213 HG2 LYS 28 HG3 LYS 28 12.982 2.314 -6.797 214 HG3 LYS 28 HG2 LYS 28 12.714 0.653 -6.287 215 HD2 LYS 28 HD3 LYS 28 14.825 -0.014 -7.309 216 HD3 LYS 28 HD2 LYS 28 15.127 1.663 -7.772 217 HE2 LYS 28 HE3 LYS 28 15.054 2.271 -5.371 218 HE3 LYS 28 HE2 LYS 28 14.773 0.581 -5.004 219 HZ1 LYS 28 HZ1 LYS 28 16.993 0.639 -4.721 220 HZ2 LYS 28 HZ2 LYS 28 17.224 1.910 -5.788 221 HZ3 LYS 28 HZ3 LYS 28 17.015 0.331 -6.395 222 H GLU 29 H GLU 29 10.458 -0.840 -9.773 223 HA GLU 29 HA GLU 29 10.435 0.418 -12.346 224 HB2 GLU 29 HB3 GLU 29 9.617 -2.339 -11.566 225 HB3 GLU 29 HB2 GLU 29 9.652 -1.744 -13.220 226 HG2 GLU 29 HG3 GLU 29 12.027 -1.183 -12.961 227 HG3 GLU 29 HG2 GLU 29 11.986 -1.930 -11.362 228 H ASP 30 H ASP 30 7.881 -0.502 -10.102 229 HA ASP 30 HA ASP 30 5.896 0.044 -12.071 230 HB2 ASP 30 HB3 ASP 30 5.654 -0.712 -9.192 231 HB3 ASP 30 HB2 ASP 30 4.268 -0.310 -10.187 232 H ILE 31 H ILE 31 6.916 1.709 -9.144 233 HA ILE 31 HA ILE 31 4.970 3.743 -9.864 234 HB ILE 31 HB ILE 31 5.121 2.806 -7.481 235 HG12 ILE 31 HG13 ILE 31 4.102 5.004 -7.886 236 HG13 ILE 31 HG12 ILE 31 4.775 4.818 -6.268 237 HG21 ILE 31 HG21 ILE 31 7.139 4.462 -6.470 238 HG22 ILE 31 HG22 ILE 31 7.818 3.435 -7.753 239 HG23 ILE 31 HG23 ILE 31 6.948 2.711 -6.380 240 HD11 ILE 31 HD11 ILE 31 6.560 6.021 -8.237 241 HD12 ILE 31 HD12 ILE 31 6.197 6.470 -6.554 242 HD13 ILE 31 HD13 ILE 31 5.106 6.981 -7.844 243 HA PRO 32 HA PRO 32 8.041 5.604 -12.018 244 HB2 PRO 32 HB2 PRO 32 7.211 8.271 -12.133 245 HB3 PRO 32 HB3 PRO 32 6.743 6.921 -13.206 246 HG2 PRO 32 HG3 PRO 32 5.351 8.049 -10.854 247 HG3 PRO 32 HG2 PRO 32 4.691 7.435 -12.388 248 HD2 PRO 32 HD3 PRO 32 4.649 6.086 -10.084 249 HD3 PRO 32 HD2 PRO 32 4.759 5.265 -11.675 250 H SER 33 H SER 33 9.805 6.592 -11.896 251 HA SER 33 HA SER 33 11.262 6.880 -9.530 252 HB2 SER 33 HB3 SER 33 12.427 6.690 -11.701 253 HB3 SER 33 HB2 SER 33 11.964 8.329 -12.127 254 HG SER 33 HG SER 33 13.201 8.834 -10.008 255 H GLU 34 H GLU 34 10.208 9.371 -11.424 256 HA GLU 34 HA GLU 34 10.607 11.770 -10.005 257 HB2 GLU 34 HB3 GLU 34 9.395 11.802 -12.199 258 HB3 GLU 34 HB2 GLU 34 7.946 11.251 -11.388 259 HG2 GLU 34 HG3 GLU 34 8.004 13.306 -9.977 260 HG3 GLU 34 HG2 GLU 34 9.352 13.880 -10.949 261 H LYS 35 H LYS 35 8.062 9.676 -9.713 262 HA LYS 35 HA LYS 35 6.820 11.087 -7.560 263 HB2 LYS 35 HB3 LYS 35 6.008 8.452 -8.714 264 HB3 LYS 35 HB2 LYS 35 5.022 9.414 -7.598 265 HG2 LYS 35 HG3 LYS 35 6.035 10.300 -10.247 266 HG3 LYS 35 HG2 LYS 35 4.357 9.777 -9.900 267 HD2 LYS 35 HD3 LYS 35 4.191 11.504 -8.248 268 HD3 LYS 35 HD2 LYS 35 5.836 12.033 -8.543 269 HE2 LYS 35 HE3 LYS 35 5.168 12.638 -10.850 270 HE3 LYS 35 HE2 LYS 35 3.486 12.309 -10.370 271 HZ1 LYS 35 HZ1 LYS 35 3.565 14.501 -9.779 272 HZ2 LYS 35 HZ2 LYS 35 5.242 14.477 -9.584 273 HZ3 LYS 35 HZ3 LYS 35 4.314 13.852 -8.359 274 H SER 36 H SER 36 8.322 7.891 -7.599 275 HA SER 36 HA SER 36 8.107 7.308 -4.986 276 HB2 SER 36 HB3 SER 36 8.981 5.835 -6.628 277 HB3 SER 36 HB2 SER 36 10.425 6.832 -6.865 278 HG SER 36 HG SER 36 10.809 6.382 -4.554 279 H GLU 37 H GLU 37 9.970 9.589 -6.386 280 HA GLU 37 HA GLU 37 11.860 10.168 -4.294 281 HB2 GLU 37 HB3 GLU 37 10.893 12.170 -6.352 282 HB3 GLU 37 HB2 GLU 37 12.230 12.433 -5.256 283 HG2 GLU 37 HG3 GLU 37 13.453 10.583 -6.268 284 HG3 GLU 37 HG2 GLU 37 12.092 10.262 -7.341 285 H GLU 38 H GLU 38 8.664 11.965 -4.923 286 HA GLU 38 HA GLU 38 8.956 13.253 -2.539 287 HB2 GLU 38 HB3 GLU 38 6.814 14.214 -3.291 288 HB3 GLU 38 HB2 GLU 38 8.073 14.312 -4.501 289 HG2 GLU 38 HG3 GLU 38 7.104 12.377 -5.678 290 HG3 GLU 38 HG2 GLU 38 5.833 12.266 -4.494 291 H ILE 39 H ILE 39 8.463 10.225 -2.424 292 HA ILE 39 HA ILE 39 5.881 10.245 -1.170 293 HB ILE 39 HB ILE 39 7.632 7.978 -2.007 294 HG12 ILE 39 HG13 ILE 39 4.882 8.914 -2.815 295 HG13 ILE 39 HG12 ILE 39 6.390 9.289 -3.665 296 HG21 ILE 39 HG21 ILE 39 6.540 7.233 0.037 297 HG22 ILE 39 HG22 ILE 39 5.758 6.488 -1.349 298 HG23 ILE 39 HG23 ILE 39 4.990 7.867 -0.513 299 HD11 ILE 39 HD11 ILE 39 4.724 7.416 -4.325 300 HD12 ILE 39 HD12 ILE 39 5.690 6.473 -3.172 301 HD13 ILE 39 HD13 ILE 39 6.466 7.274 -4.565 302 H THR 40 H THR 40 6.926 11.720 0.356 303 HA THR 40 HA THR 40 8.299 10.427 2.563 304 HB THR 40 HB THR 40 9.073 12.542 1.835 305 HG1 THR 40 HG1 THR 40 7.885 12.574 4.384 306 HG21 THR 40 HG21 THR 40 7.362 13.590 0.798 307 HG22 THR 40 HG22 THR 40 7.494 14.592 2.257 308 HG23 THR 40 HG23 THR 40 6.228 13.327 2.100 309 H THR 41 H THR 41 5.424 9.813 2.106 310 HA THR 41 HA THR 41 4.864 9.393 4.731 311 HB THR 41 HB THR 41 4.064 11.467 5.010 312 HG1 THR 41 HG1 THR 41 1.843 11.160 5.614 313 HG21 THR 41 HG21 THR 41 2.425 11.203 2.534 314 HG22 THR 41 HG22 THR 41 3.631 12.431 2.941 315 HG23 THR 41 HG23 THR 41 2.059 12.429 3.754 316 H GLY 42 H GLY 42 3.218 7.969 5.158 317 HA2 GLY 42 HA3 GLY 42 3.109 5.919 3.152 318 HA3 GLY 42 HA2 GLY 42 2.124 5.923 4.609 319 H SER 43 H SER 43 0.389 8.064 4.395 320 HA SER 43 HA SER 43 -1.431 7.408 2.614 321 HB2 SER 43 HB3 SER 43 -0.730 10.090 3.797 322 HB3 SER 43 HB2 SER 43 -2.317 9.605 3.179 323 HG SER 43 HG SER 43 -2.080 7.799 4.784 324 H ALA 44 H ALA 44 1.216 9.552 2.263 325 HA ALA 44 HA ALA 44 0.558 10.880 -0.186 326 HB1 ALA 44 HB1 ALA 44 3.272 10.571 -0.597 327 HB2 ALA 44 HB2 ALA 44 3.114 10.546 1.161 328 HB3 ALA 44 HB3 ALA 44 2.516 11.926 0.246 329 H TRP 45 H TRP 45 2.426 7.867 0.191 330 HA TRP 45 HA TRP 45 2.565 7.356 -2.545 331 HB2 TRP 45 HB3 TRP 45 3.953 6.207 -0.782 332 HB3 TRP 45 HB2 TRP 45 2.515 5.387 -0.274 333 HD1 TRP 45 HD1 TRP 45 3.955 5.751 -3.935 334 HE1 TRP 45 HE1 TRP 45 3.967 3.359 -4.913 335 HE3 TRP 45 HE3 TRP 45 2.395 3.151 0.131 336 HZ2 TRP 45 HZ2 TRP 45 3.538 0.833 -4.133 337 HZ3 TRP 45 HZ3 TRP 45 2.220 0.810 -0.006 338 HH2 TRP 45 HH2 TRP 45 2.797 -0.406 -2.148 339 H PHE 46 H PHE 46 0.038 6.447 -0.150 340 HA PHE 46 HA PHE 46 -1.242 4.866 -2.041 341 HB2 PHE 46 HB3 PHE 46 -2.323 6.347 0.363 342 HB3 PHE 46 HB2 PHE 46 -3.286 5.267 -0.640 343 HD1 PHE 46 HD1 PHE 46 -2.116 3.001 -1.104 344 HD2 PHE 46 HD2 PHE 46 -1.422 5.444 2.355 345 HE1 PHE 46 HE1 PHE 46 -1.469 1.027 0.170 346 HE2 PHE 46 HE2 PHE 46 -0.852 3.490 3.627 347 HZ PHE 46 HZ PHE 46 -0.844 1.216 2.472 348 H SER 47 H SER 47 -1.645 7.937 -1.009 349 HA SER 47 HA SER 47 -3.674 8.851 -2.778 350 HB2 SER 47 HB3 SER 47 -1.690 10.604 -1.394 351 HB3 SER 47 HB2 SER 47 -3.110 11.225 -2.247 352 HG SER 47 HG SER 47 -4.249 9.595 -0.880 353 H PHE 48 H PHE 48 -0.277 8.763 -3.421 354 HA PHE 48 HA PHE 48 -0.409 10.141 -5.938 355 HB2 PHE 48 HB3 PHE 48 1.791 9.761 -4.968 356 HB3 PHE 48 HB2 PHE 48 1.438 8.044 -4.799 357 HD1 PHE 48 HD1 PHE 48 1.448 10.622 -7.539 358 HD2 PHE 48 HD2 PHE 48 2.199 6.651 -6.289 359 HE1 PHE 48 HE1 PHE 48 2.094 10.040 -9.792 360 HE2 PHE 48 HE2 PHE 48 2.863 6.058 -8.605 361 HZ PHE 48 HZ PHE 48 2.802 7.743 -10.335 362 H LEU 49 H LEU 49 -0.231 6.681 -4.857 363 HA LEU 49 HA LEU 49 -0.442 5.429 -7.167 364 HB2 LEU 49 HB3 LEU 49 0.093 4.882 -4.834 365 HB3 LEU 49 HB2 LEU 49 -1.641 4.687 -4.568 366 HG LEU 49 HG LEU 49 -1.525 2.526 -6.024 367 HD11 LEU 49 HD11 LEU 49 0.376 1.959 -7.062 368 HD12 LEU 49 HD12 LEU 49 1.354 3.194 -6.249 369 HD13 LEU 49 HD13 LEU 49 0.167 3.653 -7.488 370 HD21 LEU 49 HD21 LEU 49 -0.956 2.428 -3.621 371 HD22 LEU 49 HD22 LEU 49 0.714 2.803 -4.026 372 HD23 LEU 49 HD23 LEU 49 -0.021 1.313 -4.606 373 H GLU 50 H GLU 50 -2.911 6.080 -4.936 374 HA GLU 50 HA GLU 50 -5.398 5.550 -6.133 375 HB2 GLU 50 HB3 GLU 50 -5.015 8.160 -4.625 376 HB3 GLU 50 HB2 GLU 50 -6.554 7.446 -5.012 377 HG2 GLU 50 HG3 GLU 50 -6.093 5.611 -3.500 378 HG3 GLU 50 HG2 GLU 50 -4.515 6.299 -3.135 379 H SER 51 H SER 51 -3.827 8.265 -6.303 380 HA SER 51 HA SER 51 -5.382 9.857 -8.201 381 HB2 SER 51 HB3 SER 51 -2.412 10.374 -7.791 382 HB3 SER 51 HB2 SER 51 -3.516 11.404 -8.694 383 HG SER 51 HG SER 51 -3.606 10.719 -5.973 384 H HIS 52 H HIS 52 -2.930 7.570 -8.758 385 HA HIS 52 HA HIS 52 -3.569 7.665 -11.617 386 HB2 HIS 52 HB3 HIS 52 -1.191 6.408 -10.257 387 HB3 HIS 52 HB2 HIS 52 -1.482 6.113 -11.992 388 HD1 HIS 52 HD1 HIS 52 0.769 7.332 -12.738 389 HD2 HIS 52 HD2 HIS 52 -1.538 9.307 -9.987 390 HE1 HIS 52 HE1 HIS 52 1.829 9.593 -12.591 391 H ASN 53 H ASN 53 -4.004 5.496 -12.531 392 HA ASN 53 HA ASN 53 -5.443 4.438 -10.350 393 HB2 ASN 53 HB3 ASN 53 -6.122 4.062 -13.243 394 HB3 ASN 53 HB2 ASN 53 -6.890 3.103 -11.995 395 HD21 ASN 53 HD22 ASN 53 -6.298 6.028 -10.436 396 HD22 ASN 53 HD21 ASN 53 -7.788 6.787 -10.813 397 H LYS 54 H LYS 54 -3.242 3.816 -9.666 398 HA LYS 54 HA LYS 54 -3.056 0.966 -10.327 399 HB2 LYS 54 HB3 LYS 54 -0.965 2.541 -8.774 400 HB3 LYS 54 HB2 LYS 54 -0.829 0.856 -9.248 401 HG2 LYS 54 HG3 LYS 54 -0.622 3.314 -10.990 402 HG3 LYS 54 HG2 LYS 54 0.557 2.048 -10.614 403 HD2 LYS 54 HD3 LYS 54 -1.946 1.621 -12.216 404 HD3 LYS 54 HD2 LYS 54 -0.350 1.894 -12.898 405 HE2 LYS 54 HE3 LYS 54 0.432 -0.183 -11.843 406 HE3 LYS 54 HE2 LYS 54 -1.187 -0.436 -11.168 407 HZ1 LYS 54 HZ1 LYS 54 -1.846 -0.143 -13.642 408 HZ2 LYS 54 HZ2 LYS 54 -1.377 -1.660 -13.096 409 HZ3 LYS 54 HZ3 LYS 54 -0.303 -0.664 -13.972 410 H LEU 55 H LEU 55 -4.838 2.684 -8.356 411 HA LEU 55 HA LEU 55 -5.267 0.487 -6.643 412 HB2 LEU 55 HB3 LEU 55 -3.245 1.239 -5.498 413 HB3 LEU 55 HB2 LEU 55 -3.907 2.841 -5.328 414 HG LEU 55 HG LEU 55 -5.201 0.461 -3.915 415 HD11 LEU 55 HD11 LEU 55 -3.372 0.341 -2.589 416 HD12 LEU 55 HD12 LEU 55 -3.750 1.965 -2.039 417 HD13 LEU 55 HD13 LEU 55 -2.638 1.729 -3.397 418 HD21 LEU 55 HD21 LEU 55 -6.483 2.553 -3.949 419 HD22 LEU 55 HD22 LEU 55 -5.115 3.404 -3.219 420 HD23 LEU 55 HD23 LEU 55 -5.940 2.148 -2.310 421 H ASP 56 H ASP 56 -7.285 0.482 -6.906 422 HA ASP 56 HA ASP 56 -9.008 2.718 -6.475 423 HB2 ASP 56 HB3 ASP 56 -9.772 -0.168 -6.777 424 HB3 ASP 56 HB2 ASP 56 -10.899 1.126 -6.492 425 H LYS 57 H LYS 57 -10.893 2.313 -5.064 426 HA LYS 57 HA LYS 57 -10.234 2.101 -2.306 427 HB2 LYS 57 HB3 LYS 57 -12.576 2.288 -1.782 428 HB3 LYS 57 HB2 LYS 57 -12.246 3.363 -3.126 429 HG2 LYS 57 HG3 LYS 57 -13.433 0.655 -3.278 430 HG3 LYS 57 HG2 LYS 57 -14.379 2.159 -3.370 431 HD2 LYS 57 HD3 LYS 57 -13.048 2.712 -5.400 432 HD3 LYS 57 HD2 LYS 57 -12.253 1.144 -5.134 433 HE2 LYS 57 HE3 LYS 57 -14.021 1.073 -6.959 434 HE3 LYS 57 HE2 LYS 57 -14.223 -0.101 -5.666 435 HZ1 LYS 57 HZ1 LYS 57 -15.960 2.074 -6.473 436 HZ2 LYS 57 HZ2 LYS 57 -15.759 1.948 -4.801 437 HZ3 LYS 57 HZ3 LYS 57 -16.296 0.640 -5.669 438 H ASP 58 H ASP 58 -11.086 -0.326 -4.705 439 HA ASP 58 HA ASP 58 -11.387 -2.300 -2.602 440 HB2 ASP 58 HB3 ASP 58 -12.335 -2.433 -5.473 441 HB3 ASP 58 HB2 ASP 58 -12.263 -3.825 -4.414 442 H ASN 59 H ASN 59 -9.576 -1.388 -5.248 443 HA ASN 59 HA ASN 59 -8.192 -3.907 -5.300 444 HB2 ASN 59 HB3 ASN 59 -7.864 -1.485 -7.024 445 HB3 ASN 59 HB2 ASN 59 -6.904 -2.963 -7.197 446 HD21 ASN 59 HD22 ASN 59 -9.755 -1.441 -7.963 447 HD22 ASN 59 HD21 ASN 59 -10.622 -2.793 -8.572 448 H LEU 60 H LEU 60 -6.617 -4.447 -4.661 449 HA LEU 60 HA LEU 60 -4.705 -2.726 -3.254 450 HB2 LEU 60 HB3 LEU 60 -4.608 -4.399 -1.432 451 HB3 LEU 60 HB2 LEU 60 -6.111 -3.520 -1.545 452 HG LEU 60 HG LEU 60 -7.128 -5.542 -2.636 453 HD11 LEU 60 HD11 LEU 60 -5.231 -6.596 -3.506 454 HD12 LEU 60 HD12 LEU 60 -6.017 -7.713 -2.395 455 HD13 LEU 60 HD13 LEU 60 -4.525 -6.848 -1.915 456 HD21 LEU 60 HD21 LEU 60 -7.801 -5.488 -0.484 457 HD22 LEU 60 HD22 LEU 60 -6.144 -5.375 0.116 458 HD23 LEU 60 HD23 LEU 60 -6.783 -6.941 -0.387 459 H SER 61 H SER 61 -5.116 -5.362 -5.195 460 HA SER 61 HA SER 61 -3.033 -6.982 -4.793 461 HB2 SER 61 HB3 SER 61 -4.700 -7.430 -6.560 462 HB3 SER 61 HB2 SER 61 -3.977 -6.203 -7.574 463 HG SER 61 HG SER 61 -3.272 -8.780 -7.239 464 H TYR 62 H TYR 62 -2.769 -4.063 -6.368 465 HA TYR 62 HA TYR 62 -0.090 -4.083 -7.332 466 HB2 TYR 62 HB3 TYR 62 -1.598 -2.152 -7.797 467 HB3 TYR 62 HB2 TYR 62 -1.557 -1.707 -6.104 468 HD1 TYR 62 HD1 TYR 62 0.452 -1.854 -9.211 469 HD2 TYR 62 HD2 TYR 62 0.289 -0.507 -5.189 470 HE1 TYR 62 HE1 TYR 62 2.523 -0.620 -9.530 471 HE2 TYR 62 HE2 TYR 62 2.443 0.595 -5.446 472 HH TYR 62 HH TYR 62 4.201 0.462 -8.488 473 H ILE 63 H ILE 63 -1.397 -3.008 -4.269 474 HA ILE 63 HA ILE 63 1.151 -2.422 -3.052 475 HB ILE 63 HB ILE 63 0.001 -1.452 -1.266 476 HG12 ILE 63 HG13 ILE 63 -2.583 -2.592 -2.295 477 HG13 ILE 63 HG12 ILE 63 -1.671 -3.334 -0.980 478 HG21 ILE 63 HG21 ILE 63 -1.562 -1.119 -3.716 479 HG22 ILE 63 HG22 ILE 63 -0.022 -0.318 -3.368 480 HG23 ILE 63 HG23 ILE 63 -1.476 0.039 -2.383 481 HD11 ILE 63 HD11 ILE 63 -3.090 -2.038 0.189 482 HD12 ILE 63 HD12 ILE 63 -3.127 -0.768 -1.062 483 HD13 ILE 63 HD13 ILE 63 -1.689 -0.970 -0.047 484 H GLU 64 H GLU 64 -1.025 -4.976 -3.070 485 HA GLU 64 HA GLU 64 -0.386 -6.155 -0.525 486 HB2 GLU 64 HB3 GLU 64 -2.449 -6.819 -1.700 487 HB3 GLU 64 HB2 GLU 64 -1.464 -7.477 -3.018 488 HG2 GLU 64 HG3 GLU 64 -0.580 -9.164 -1.527 489 HG3 GLU 64 HG2 GLU 64 -1.472 -8.471 -0.176 490 H HIS 65 H HIS 65 0.603 -6.910 -3.861 491 HA HIS 65 HA HIS 65 2.746 -8.581 -3.443 492 HB2 HIS 65 HB3 HIS 65 1.699 -7.805 -5.569 493 HB3 HIS 65 HB2 HIS 65 2.345 -6.204 -5.244 494 HD1 HIS 65 HD1 HIS 65 3.701 -9.738 -5.911 495 HD2 HIS 65 HD2 HIS 65 4.656 -5.733 -6.329 496 HE1 HIS 65 HE1 HIS 65 5.875 -9.739 -7.124 497 H ILE 66 H ILE 66 2.944 -5.194 -3.727 498 HA ILE 66 HA ILE 66 5.476 -4.748 -3.161 499 HB ILE 66 HB ILE 66 3.345 -3.116 -1.879 500 HG12 ILE 66 HG13 ILE 66 3.064 -3.518 -4.071 501 HG13 ILE 66 HG12 ILE 66 3.368 -1.744 -4.003 502 HG21 ILE 66 HG21 ILE 66 5.037 -1.179 -1.996 503 HG22 ILE 66 HG22 ILE 66 6.272 -2.356 -2.402 504 HG23 ILE 66 HG23 ILE 66 5.477 -2.431 -0.850 505 HD11 ILE 66 HD11 ILE 66 4.974 -4.037 -5.094 506 HD12 ILE 66 HD12 ILE 66 5.728 -2.470 -4.703 507 HD13 ILE 66 HD13 ILE 66 4.402 -2.528 -5.876 508 H PHE 67 H PHE 67 2.976 -5.148 -0.498 509 HA PHE 67 HA PHE 67 4.912 -4.940 1.345 510 HB2 PHE 67 HB3 PHE 67 2.122 -6.081 1.530 511 HB3 PHE 67 HB2 PHE 67 3.164 -5.686 2.894 512 HD1 PHE 67 HD2 PHE 67 4.220 -3.188 2.625 513 HD2 PHE 67 HD1 PHE 67 0.544 -4.586 1.084 514 HE1 PHE 67 HE2 PHE 67 3.419 -0.844 2.472 515 HE2 PHE 67 HE1 PHE 67 -0.273 -2.262 0.923 516 HZ PHE 67 HZ PHE 67 1.188 -0.399 1.629 517 H GLU 68 H GLU 68 3.899 -7.787 -0.730 518 HA GLU 68 HA GLU 68 4.795 -9.865 0.969 519 HB2 GLU 68 HB3 GLU 68 3.177 -10.150 -0.877 520 HB3 GLU 68 HB2 GLU 68 4.295 -9.458 -2.012 521 HG2 GLU 68 HG3 GLU 68 5.770 -11.433 -1.723 522 HG3 GLU 68 HG2 GLU 68 4.555 -12.128 -0.646 523 H ILE 69 H ILE 69 6.027 -8.363 -1.916 524 HA ILE 69 HA ILE 69 8.402 -9.561 -1.836 525 HB ILE 69 HB ILE 69 9.231 -7.993 -3.491 526 HG12 ILE 69 HG13 ILE 69 6.590 -6.577 -3.040 527 HG13 ILE 69 HG12 ILE 69 8.195 -5.917 -2.686 528 HG21 ILE 69 HG21 ILE 69 6.457 -8.563 -4.242 529 HG22 ILE 69 HG22 ILE 69 7.441 -9.923 -3.680 530 HG23 ILE 69 HG23 ILE 69 7.951 -8.995 -5.089 531 HD11 ILE 69 HD11 ILE 69 8.345 -5.194 -4.735 532 HD12 ILE 69 HD12 ILE 69 6.715 -5.851 -5.073 533 HD13 ILE 69 HD13 ILE 69 8.142 -6.883 -5.249 534 H SER 70 H SER 70 7.621 -6.600 -0.307 535 HA SER 70 HA SER 70 10.336 -6.013 0.489 536 HB2 SER 70 HB3 SER 70 8.728 -4.221 0.032 537 HB3 SER 70 HB2 SER 70 7.662 -4.843 1.286 538 HG SER 70 HG SER 70 8.840 -3.175 2.075 539 H ARG 71 H ARG 71 11.158 -6.449 2.504 540 HA ARG 71 HA ARG 71 9.953 -8.559 3.938 541 HB2 ARG 71 HB3 ARG 71 12.537 -7.117 4.444 542 HB3 ARG 71 HB2 ARG 71 11.923 -8.422 5.470 543 HG2 ARG 71 HG3 ARG 71 12.508 -8.618 2.558 544 HG3 ARG 71 HG2 ARG 71 13.582 -9.204 3.859 545 HD2 ARG 71 HD3 ARG 71 11.610 -10.658 4.579 546 HD3 ARG 71 HD2 ARG 71 10.820 -10.166 3.087 547 HE ARG 71 HE ARG 71 12.776 -12.132 3.420 548 HH11 ARG 71 HH11 ARG 71 11.522 -9.887 0.939 549 HH12 ARG 71 HH12 ARG 71 12.443 -10.521 -0.328 550 HH21 ARG 71 HH22 ARG 71 14.025 -13.002 1.690 551 HH22 ARG 71 HH21 ARG 71 13.970 -12.390 0.097 552 H ARG 72 H ARG 72 8.149 -6.995 4.299 553 HA ARG 72 HA ARG 72 8.227 -5.998 7.075 554 HB2 ARG 72 HB3 ARG 72 8.738 -4.163 5.377 555 HB3 ARG 72 HB2 ARG 72 7.094 -4.368 4.793 556 HG2 ARG 72 HG3 ARG 72 7.078 -2.531 6.268 557 HG3 ARG 72 HG2 ARG 72 6.318 -3.863 7.135 558 HD2 ARG 72 HD3 ARG 72 8.429 -4.353 8.265 559 HD3 ARG 72 HD2 ARG 72 9.196 -3.017 7.409 560 HE ARG 72 HE ARG 72 8.188 -1.542 8.687 561 HH11 ARG 72 HH11 ARG 72 7.275 -4.690 9.853 562 HH12 ARG 72 HH12 ARG 72 6.097 -4.201 10.945 563 HH21 ARG 72 HH22 ARG 72 6.511 -0.690 10.178 564 HH22 ARG 72 HH21 ARG 72 5.648 -1.806 11.137 565 HA PRO 73 HA PRO 73 4.521 -8.481 5.312 566 HB2 PRO 73 HB2 PRO 73 4.934 -10.214 7.665 567 HB3 PRO 73 HB3 PRO 73 4.657 -10.626 5.977 568 HG2 PRO 73 HG3 PRO 73 7.084 -10.876 7.017 569 HG3 PRO 73 HG2 PRO 73 6.847 -10.263 5.356 570 HD2 PRO 73 HD3 PRO 73 7.386 -8.718 7.870 571 HD3 PRO 73 HD2 PRO 73 8.126 -8.555 6.259 572 H ASP 74 H ASP 74 4.948 -6.657 8.097 573 HA ASP 74 HA ASP 74 2.600 -7.404 9.609 574 HB2 ASP 74 HB3 ASP 74 4.006 -4.718 9.562 575 HB3 ASP 74 HB2 ASP 74 2.837 -5.238 10.761 576 H LEU 75 H LEU 75 3.438 -5.066 7.438 577 HA LEU 75 HA LEU 75 0.911 -3.766 7.151 578 HB2 LEU 75 HB3 LEU 75 3.213 -3.816 5.204 579 HB3 LEU 75 HB2 LEU 75 1.785 -2.845 4.985 580 HG LEU 75 HG LEU 75 2.395 -1.474 7.015 581 HD11 LEU 75 HD11 LEU 75 4.610 -1.720 8.037 582 HD12 LEU 75 HD12 LEU 75 4.771 -3.291 7.229 583 HD13 LEU 75 HD13 LEU 75 3.500 -3.040 8.402 584 HD21 LEU 75 HD21 LEU 75 3.957 -1.755 4.612 585 HD22 LEU 75 HD22 LEU 75 4.856 -1.011 5.939 586 HD23 LEU 75 HD23 LEU 75 3.328 -0.305 5.421 587 H LEU 76 H LEU 76 2.494 -6.011 5.216 588 HA LEU 76 HA LEU 76 0.625 -6.732 3.165 589 HB2 LEU 76 HB3 LEU 76 2.817 -8.068 3.481 590 HB3 LEU 76 HB2 LEU 76 1.894 -8.922 4.731 591 HG LEU 76 HG LEU 76 0.218 -9.365 2.985 592 HD11 LEU 76 HD11 LEU 76 0.469 -9.305 0.871 593 HD12 LEU 76 HD12 LEU 76 2.218 -9.174 0.924 594 HD13 LEU 76 HD13 LEU 76 1.202 -7.797 1.387 595 HD21 LEU 76 HD21 LEU 76 2.067 -11.185 2.031 596 HD22 LEU 76 HD22 LEU 76 0.975 -11.348 3.408 597 HD23 LEU 76 HD23 LEU 76 2.621 -10.771 3.668 598 H THR 77 H THR 77 0.971 -8.263 6.141 599 HA THR 77 HA THR 77 -1.210 -9.878 6.386 600 HB THR 77 HB THR 77 0.162 -8.292 8.454 601 HG1 THR 77 HG1 THR 77 1.599 -9.720 7.857 602 HG21 THR 77 HG21 THR 77 -0.757 -10.254 9.929 603 HG22 THR 77 HG22 THR 77 -1.971 -10.267 8.612 604 HG23 THR 77 HG23 THR 77 -1.656 -8.761 9.533 605 H MET 78 H MET 78 -1.021 -6.523 7.293 606 HA MET 78 HA MET 78 -3.685 -6.266 8.200 607 HB2 MET 78 HB3 MET 78 -1.837 -4.180 7.094 608 HB3 MET 78 HB2 MET 78 -3.399 -3.824 7.820 609 HG2 MET 78 HG3 MET 78 -1.247 -5.327 9.228 610 HG3 MET 78 HG2 MET 78 -1.361 -3.555 9.326 611 HE1 MET 78 HE1 MET 78 -3.601 -6.906 11.396 612 HE2 MET 78 HE2 MET 78 -3.081 -6.898 9.707 613 HE3 MET 78 HE3 MET 78 -4.701 -6.340 10.133 614 H VAL 79 H VAL 79 -2.319 -5.982 4.991 615 HA VAL 79 HA VAL 79 -4.712 -5.037 3.716 616 HB VAL 79 HB VAL 79 -2.379 -6.563 2.535 617 HG11 VAL 79 HG11 VAL 79 -3.191 -6.240 0.520 618 HG12 VAL 79 HG12 VAL 79 -3.606 -4.564 0.842 619 HG13 VAL 79 HG13 VAL 79 -4.717 -5.850 1.300 620 HG21 VAL 79 HG21 VAL 79 -1.551 -4.688 3.739 621 HG22 VAL 79 HG22 VAL 79 -2.679 -3.599 2.936 622 HG23 VAL 79 HG23 VAL 79 -1.377 -4.365 2.010 623 H VAL 80 H VAL 80 -3.068 -8.121 3.954 624 HA VAL 80 HA VAL 80 -4.883 -9.784 2.654 625 HB VAL 80 HB VAL 80 -3.017 -10.413 5.009 626 HG11 VAL 80 HG11 VAL 80 -4.904 -12.103 4.571 627 HG12 VAL 80 HG12 VAL 80 -3.229 -12.654 4.661 628 HG13 VAL 80 HG13 VAL 80 -4.006 -12.476 3.083 629 HG21 VAL 80 HG21 VAL 80 -1.394 -10.150 3.523 630 HG22 VAL 80 HG22 VAL 80 -2.549 -9.903 2.218 631 HG23 VAL 80 HG23 VAL 80 -2.034 -11.542 2.647 632 H ASP 81 H ASP 81 -4.544 -9.246 5.925 633 HA ASP 81 HA ASP 81 -6.737 -10.605 6.999 634 HB2 ASP 81 HB3 ASP 81 -4.904 -9.779 8.464 635 HB3 ASP 81 HB2 ASP 81 -5.567 -8.151 8.346 636 H TYR 82 H TYR 82 -6.521 -7.305 6.176 637 HA TYR 82 HA TYR 82 -9.103 -6.255 6.760 638 HB2 TYR 82 HB3 TYR 82 -7.510 -4.722 6.062 639 HB3 TYR 82 HB2 TYR 82 -7.148 -5.620 4.580 640 HD1 TYR 82 HD2 TYR 82 -9.977 -3.867 6.278 641 HD2 TYR 82 HD1 TYR 82 -8.035 -4.921 2.688 642 HE1 TYR 82 HE2 TYR 82 -11.573 -2.475 4.966 643 HE2 TYR 82 HE1 TYR 82 -9.610 -3.581 1.394 644 HH TYR 82 HH TYR 82 -11.288 -2.038 1.555 645 H ARG 83 H ARG 83 -7.850 -7.670 3.770 646 HA ARG 83 HA ARG 83 -10.159 -7.491 2.310 647 HB2 ARG 83 HB3 ARG 83 -8.259 -7.782 1.013 648 HB3 ARG 83 HB2 ARG 83 -7.596 -8.972 2.095 649 HG2 ARG 83 HG3 ARG 83 -9.921 -9.667 0.384 650 HG3 ARG 83 HG2 ARG 83 -8.270 -9.674 -0.308 651 HD2 ARG 83 HD3 ARG 83 -7.662 -11.176 1.619 652 HD3 ARG 83 HD2 ARG 83 -9.348 -11.268 2.025 653 HE ARG 83 HE ARG 83 -8.983 -11.965 -0.672 654 HH11 ARG 83 HH11 ARG 83 -8.575 -13.207 2.622 655 HH12 ARG 83 HH12 ARG 83 -8.336 -14.798 2.177 656 HH21 ARG 83 HH22 ARG 83 -8.684 -14.096 -1.354 657 HH22 ARG 83 HH21 ARG 83 -8.379 -15.362 -0.224 658 H THR 84 H THR 84 -8.997 -9.926 4.104 659 HA THR 84 HA THR 84 -11.049 -11.861 3.841 660 HB THR 84 HB THR 84 -9.178 -11.297 6.030 661 HG1 THR 84 HG1 THR 84 -7.859 -11.878 4.554 662 HG21 THR 84 HG21 THR 84 -11.098 -13.402 5.579 663 HG22 THR 84 HG22 THR 84 -10.544 -12.601 7.048 664 HG23 THR 84 HG23 THR 84 -9.510 -13.874 6.296 665 H ARG 85 H ARG 85 -10.446 -10.169 6.557 666 HA ARG 85 HA ARG 85 -12.678 -10.538 8.016 667 HB2 ARG 85 HB3 ARG 85 -12.412 -8.660 9.588 668 HB3 ARG 85 HB2 ARG 85 -10.873 -9.419 9.221 669 HG2 ARG 85 HG3 ARG 85 -10.213 -7.500 7.876 670 HG3 ARG 85 HG2 ARG 85 -11.804 -6.787 8.012 671 HD2 ARG 85 HD3 ARG 85 -10.448 -5.739 9.598 672 HD3 ARG 85 HD2 ARG 85 -11.608 -6.855 10.390 673 HE ARG 85 HE ARG 85 -9.054 -8.078 10.077 674 HH11 ARG 85 HH11 ARG 85 -10.824 -5.840 12.163 675 HH12 ARG 85 HH12 ARG 85 -9.709 -6.001 13.467 676 HH21 ARG 85 HH22 ARG 85 -7.608 -8.175 11.703 677 HH22 ARG 85 HH21 ARG 85 -7.836 -7.370 13.234 678 H VAL 86 H VAL 86 -12.278 -7.918 6.171 679 HA VAL 86 HA VAL 86 -14.923 -6.846 6.352 680 HB VAL 86 HB VAL 86 -12.879 -6.354 4.213 681 HG11 VAL 86 HG11 VAL 86 -14.645 -5.316 3.102 682 HG12 VAL 86 HG12 VAL 86 -14.516 -4.075 4.348 683 HG13 VAL 86 HG13 VAL 86 -15.668 -5.402 4.536 684 HG21 VAL 86 HG21 VAL 86 -12.916 -4.098 5.651 685 HG22 VAL 86 HG22 VAL 86 -11.932 -5.504 6.050 686 HG23 VAL 86 HG23 VAL 86 -13.475 -5.239 6.874 687 H LEU 87 H LEU 87 -13.555 -9.167 4.227 688 HA LEU 87 HA LEU 87 -15.630 -9.594 2.384 689 HB2 LEU 87 HB3 LEU 87 -13.271 -10.398 2.289 690 HB3 LEU 87 HB2 LEU 87 -13.562 -11.398 3.670 691 HG LEU 87 HG LEU 87 -13.252 -12.642 1.690 692 HD11 LEU 87 HD11 LEU 87 -14.563 -13.712 3.238 693 HD12 LEU 87 HD12 LEU 87 -15.296 -14.046 1.671 694 HD13 LEU 87 HD13 LEU 87 -16.040 -12.872 2.770 695 HD21 LEU 87 HD21 LEU 87 -15.465 -10.965 0.613 696 HD22 LEU 87 HD22 LEU 87 -15.073 -12.533 -0.112 697 HD23 LEU 87 HD23 LEU 87 -13.852 -11.257 -0.037 698 H LYS 88 H LYS 88 -14.799 -11.054 5.419 699 HA LYS 88 HA LYS 88 -17.090 -12.674 5.817 700 HB2 LYS 88 HB3 LYS 88 -15.215 -11.623 7.937 701 HB3 LYS 88 HB2 LYS 88 -16.425 -12.852 8.225 702 HG2 LYS 88 HG3 LYS 88 -14.068 -13.088 6.352 703 HG3 LYS 88 HG2 LYS 88 -14.175 -13.773 7.968 704 HD2 LYS 88 HD3 LYS 88 -16.100 -15.167 7.242 705 HD3 LYS 88 HD2 LYS 88 -15.929 -14.505 5.622 706 HE2 LYS 88 HE3 LYS 88 -13.671 -15.428 5.453 707 HE3 LYS 88 HE2 LYS 88 -13.792 -16.054 7.096 708 HZ1 LYS 88 HZ1 LYS 88 -15.318 -17.697 6.412 709 HZ2 LYS 88 HZ2 LYS 88 -14.191 -17.650 5.179 710 HZ3 LYS 88 HZ3 LYS 88 -15.688 -16.918 4.971 711 H ILE 89 H ILE 89 -16.556 -9.324 6.647 712 HA ILE 89 HA ILE 89 -18.811 -9.038 8.335 713 HB ILE 89 HB ILE 89 -16.894 -7.243 6.945 714 HG12 ILE 89 HG13 ILE 89 -17.358 -7.724 9.901 715 HG13 ILE 89 HG12 ILE 89 -16.025 -8.332 8.935 716 HG21 ILE 89 HG21 ILE 89 -18.813 -6.073 6.767 717 HG22 ILE 89 HG22 ILE 89 -17.895 -5.286 8.063 718 HG23 ILE 89 HG23 ILE 89 -19.305 -6.324 8.446 719 HD11 ILE 89 HD11 ILE 89 -15.463 -6.408 10.391 720 HD12 ILE 89 HD12 ILE 89 -16.578 -5.428 9.450 721 HD13 ILE 89 HD13 ILE 89 -15.132 -6.103 8.684 722 H SER 90 H SER 90 -18.029 -8.354 4.968 723 HA SER 90 HA SER 90 -20.658 -7.272 4.462 724 HB2 SER 90 HB3 SER 90 -18.332 -7.878 2.647 725 HB3 SER 90 HB2 SER 90 -19.790 -6.920 2.211 726 HG SER 90 HG SER 90 -17.676 -6.357 3.980 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -15.549 1.096 0.697 2 H2 MET 1 H2 MET 1 -16.330 2.509 1.160 3 H3 MET 1 H3 MET 1 -15.709 1.485 2.329 4 HA MET 1 HA MET 1 -13.590 2.025 0.680 5 HB2 MET 1 HB3 MET 1 -15.108 4.596 1.228 6 HB3 MET 1 HB2 MET 1 -13.454 4.528 0.698 7 HG2 MET 1 HG3 MET 1 -14.181 3.460 -1.399 8 HG3 MET 1 HG2 MET 1 -15.846 3.577 -0.846 9 HE1 MET 1 HE1 MET 1 -12.958 6.754 -2.242 10 HE2 MET 1 HE2 MET 1 -12.640 5.471 -1.084 11 HE3 MET 1 HE3 MET 1 -13.212 7.031 -0.519 12 H ALA 2 H ALA 2 -15.285 2.935 3.472 13 HA ALA 2 HA ALA 2 -13.081 4.204 4.782 14 HB1 ALA 2 HB1 ALA 2 -14.484 4.829 6.392 15 HB2 ALA 2 HB2 ALA 2 -14.817 3.150 6.856 16 HB3 ALA 2 HB3 ALA 2 -15.748 3.917 5.557 17 H GLU 3 H GLU 3 -14.182 0.967 5.678 18 HA GLU 3 HA GLU 3 -12.248 0.250 7.299 19 HB2 GLU 3 HB3 GLU 3 -13.145 -1.508 5.000 20 HB3 GLU 3 HB2 GLU 3 -12.263 -2.093 6.403 21 HG2 GLU 3 HG3 GLU 3 -14.850 -0.668 6.601 22 HG3 GLU 3 HG2 GLU 3 -14.781 -2.431 6.400 23 H TYR 4 H TYR 4 -12.097 0.167 4.114 24 HA TYR 4 HA TYR 4 -9.403 -0.614 3.485 25 HB2 TYR 4 HB3 TYR 4 -11.070 -0.438 1.639 26 HB3 TYR 4 HB2 TYR 4 -10.827 1.328 1.607 27 HD1 TYR 4 HD1 TYR 4 -8.619 -1.647 1.812 28 HD2 TYR 4 HD2 TYR 4 -9.553 1.908 -0.385 29 HE1 TYR 4 HE1 TYR 4 -6.739 -2.064 0.329 30 HE2 TYR 4 HE2 TYR 4 -7.657 1.474 -1.824 31 HH TYR 4 HH TYR 4 -6.355 -0.614 -2.563 32 H GLY 5 H GLY 5 -10.851 2.411 3.754 33 HA2 GLY 5 HA3 GLY 5 -8.744 4.283 3.541 34 HA3 GLY 5 HA2 GLY 5 -10.148 4.602 4.565 35 H THR 6 H THR 6 -9.867 2.702 6.598 36 HA THR 6 HA THR 6 -7.784 3.726 8.170 37 HB THR 6 HB THR 6 -9.365 1.193 8.465 38 HG1 THR 6 HG1 THR 6 -9.993 3.739 9.581 39 HG21 THR 6 HG21 THR 6 -9.060 2.198 10.917 40 HG22 THR 6 HG22 THR 6 -7.607 2.814 10.116 41 HG23 THR 6 HG23 THR 6 -7.927 1.072 10.124 42 H LEU 7 H LEU 7 -8.298 0.782 6.511 43 HA LEU 7 HA LEU 7 -6.050 -0.779 7.056 44 HB2 LEU 7 HB3 LEU 7 -7.646 -1.587 5.446 45 HB3 LEU 7 HB2 LEU 7 -7.142 -0.365 4.290 46 HG LEU 7 HG LEU 7 -4.923 -1.447 4.227 47 HD11 LEU 7 HD11 LEU 7 -5.020 -3.911 4.982 48 HD12 LEU 7 HD12 LEU 7 -6.240 -3.309 6.094 49 HD13 LEU 7 HD13 LEU 7 -4.614 -2.635 6.130 50 HD21 LEU 7 HD21 LEU 7 -5.542 -2.942 2.571 51 HD22 LEU 7 HD22 LEU 7 -6.954 -1.893 2.700 52 HD23 LEU 7 HD23 LEU 7 -6.967 -3.473 3.468 53 H LEU 8 H LEU 8 -6.119 1.347 4.511 54 HA LEU 8 HA LEU 8 -3.325 1.503 3.799 55 HB2 LEU 8 HB3 LEU 8 -5.302 3.776 3.404 56 HB3 LEU 8 HB2 LEU 8 -3.605 3.830 2.935 57 HG LEU 8 HG LEU 8 -3.904 2.196 1.227 58 HD11 LEU 8 HD11 LEU 8 -6.819 1.939 1.637 59 HD12 LEU 8 HD12 LEU 8 -5.749 1.044 2.703 60 HD13 LEU 8 HD13 LEU 8 -5.658 0.804 0.951 61 HD21 LEU 8 HD21 LEU 8 -6.072 4.287 1.225 62 HD22 LEU 8 HD22 LEU 8 -5.707 3.259 -0.160 63 HD23 LEU 8 HD23 LEU 8 -4.471 4.333 0.468 64 H GLN 9 H GLN 9 -5.151 3.241 6.087 65 HA GLN 9 HA GLN 9 -3.114 4.922 7.008 66 HB2 GLN 9 HB3 GLN 9 -5.188 5.856 7.031 67 HB3 GLN 9 HB2 GLN 9 -5.914 4.357 7.596 68 HG2 GLN 9 HG3 GLN 9 -5.513 4.672 9.577 69 HG3 GLN 9 HG2 GLN 9 -4.097 5.753 9.458 70 HE21 GLN 9 HE22 GLN 9 -4.527 7.835 9.616 71 HE22 GLN 9 HE21 GLN 9 -6.084 8.581 9.713 72 H ASP 10 H ASP 10 -4.028 2.033 7.837 73 HA ASP 10 HA ASP 10 -2.619 2.014 10.335 74 HB2 ASP 10 HB3 ASP 10 -4.484 -0.202 9.725 75 HB3 ASP 10 HB2 ASP 10 -3.033 -0.566 10.656 76 H LEU 11 H LEU 11 -1.978 0.838 7.223 77 HA LEU 11 HA LEU 11 0.367 -0.285 8.253 78 HB2 LEU 11 HB3 LEU 11 0.937 -0.780 5.971 79 HB3 LEU 11 HB2 LEU 11 -0.623 -1.462 6.413 80 HG LEU 11 HG LEU 11 -1.507 0.644 5.187 81 HD11 LEU 11 HD11 LEU 11 1.174 1.065 5.055 82 HD12 LEU 11 HD12 LEU 11 -0.062 1.917 4.132 83 HD13 LEU 11 HD13 LEU 11 0.782 0.519 3.431 84 HD21 LEU 11 HD21 LEU 11 -1.460 -1.924 4.539 85 HD22 LEU 11 HD22 LEU 11 -0.282 -1.361 3.357 86 HD23 LEU 11 HD23 LEU 11 -1.899 -0.697 3.338 87 H THR 12 H THR 12 -0.825 2.521 7.048 88 HA THR 12 HA THR 12 1.506 4.097 6.598 89 HB THR 12 HB THR 12 -1.365 4.744 7.071 90 HG1 THR 12 HG1 THR 12 -1.061 4.080 5.098 91 HG21 THR 12 HG21 THR 12 -0.980 6.785 7.536 92 HG22 THR 12 HG22 THR 12 -0.197 6.905 5.946 93 HG23 THR 12 HG23 THR 12 0.799 6.509 7.426 94 H ASN 13 H ASN 13 -0.413 3.436 9.473 95 HA ASN 13 HA ASN 13 0.968 5.196 11.264 96 HB2 ASN 13 HB3 ASN 13 -0.560 2.643 11.977 97 HB3 ASN 13 HB2 ASN 13 0.089 3.765 13.148 98 HD21 ASN 13 HD22 ASN 13 -2.743 2.841 11.995 99 HD22 ASN 13 HD21 ASN 13 -3.579 4.323 11.961 100 H ASN 14 H ASN 14 1.596 2.104 10.052 101 HA ASN 14 HA ASN 14 3.881 1.694 11.809 102 HB2 ASN 14 HB3 ASN 14 2.648 -0.122 9.714 103 HB3 ASN 14 HB2 ASN 14 4.069 -0.520 10.658 104 HD21 ASN 14 HD22 ASN 14 0.738 -0.723 10.571 105 HD22 ASN 14 HD21 ASN 14 0.471 -1.132 12.224 106 H ILE 15 H ILE 15 3.240 3.018 8.780 107 HA ILE 15 HA ILE 15 5.618 2.293 7.455 108 HB ILE 15 HB ILE 15 3.266 3.968 6.878 109 HG12 ILE 15 HG13 ILE 15 3.484 1.620 6.157 110 HG13 ILE 15 HG12 ILE 15 3.163 2.734 4.814 111 HG21 ILE 15 HG21 ILE 15 5.271 4.340 4.790 112 HG22 ILE 15 HG22 ILE 15 5.469 5.324 6.248 113 HG23 ILE 15 HG23 ILE 15 3.941 5.360 5.330 114 HD11 ILE 15 HD11 ILE 15 5.942 2.603 5.026 115 HD12 ILE 15 HD12 ILE 15 4.941 1.909 3.780 116 HD13 ILE 15 HD13 ILE 15 5.420 0.933 5.189 117 H THR 16 H THR 16 7.548 3.035 7.943 118 HA THR 16 HA THR 16 8.013 5.708 8.909 119 HB THR 16 HB THR 16 10.274 5.026 9.247 120 HG1 THR 16 HG1 THR 16 9.973 2.361 8.450 121 HG21 THR 16 HG21 THR 16 8.576 2.733 9.902 122 HG22 THR 16 HG22 THR 16 8.546 4.274 10.787 123 HG23 THR 16 HG23 THR 16 10.058 3.287 10.777 124 H LEU 17 H LEU 17 9.498 6.762 7.888 125 HA LEU 17 HA LEU 17 9.453 7.162 5.070 126 HB2 LEU 17 HB3 LEU 17 11.677 7.871 6.908 127 HB3 LEU 17 HB2 LEU 17 11.808 8.130 5.184 128 HG LEU 17 HG LEU 17 11.194 10.094 6.129 129 HD11 LEU 17 HD11 LEU 17 8.740 8.991 4.862 130 HD12 LEU 17 HD12 LEU 17 10.193 9.528 4.034 131 HD13 LEU 17 HD13 LEU 17 9.222 10.690 4.932 132 HD21 LEU 17 HD21 LEU 17 9.151 10.518 7.466 133 HD22 LEU 17 HD22 LEU 17 10.258 9.420 8.286 134 HD23 LEU 17 HD23 LEU 17 8.822 8.780 7.484 135 H GLU 18 H GLU 18 11.761 5.352 6.966 136 HA GLU 18 HA GLU 18 13.365 4.299 5.005 137 HB2 GLU 18 HB3 GLU 18 12.472 2.965 7.577 138 HB3 GLU 18 HB2 GLU 18 13.873 2.496 6.626 139 HG2 GLU 18 HG3 GLU 18 13.560 5.235 7.715 140 HG3 GLU 18 HG2 GLU 18 14.250 3.934 8.713 141 H ASP 19 H ASP 19 10.662 2.920 6.509 142 HA ASP 19 HA ASP 19 10.259 0.481 5.127 143 HB2 ASP 19 HB3 ASP 19 8.134 2.311 6.244 144 HB3 ASP 19 HB2 ASP 19 7.711 0.714 5.593 145 H LEU 20 H LEU 20 8.594 3.441 4.453 146 HA LEU 20 HA LEU 20 7.685 2.808 2.021 147 HB2 LEU 20 HB3 LEU 20 8.491 5.397 3.052 148 HB3 LEU 20 HB2 LEU 20 8.032 5.298 1.366 149 HG LEU 20 HG LEU 20 6.262 4.513 3.702 150 HD11 LEU 20 HD11 LEU 20 4.959 6.429 2.391 151 HD12 LEU 20 HD12 LEU 20 6.607 6.913 2.005 152 HD13 LEU 20 HD13 LEU 20 6.097 6.778 3.687 153 HD21 LEU 20 HD21 LEU 20 4.840 4.703 1.256 154 HD22 LEU 20 HD22 LEU 20 5.129 3.237 2.219 155 HD23 LEU 20 HD23 LEU 20 6.266 3.687 0.983 156 H GLU 21 H GLU 21 10.846 4.113 2.641 157 HA GLU 21 HA GLU 21 11.605 4.314 -0.042 158 HB2 GLU 21 HB3 GLU 21 13.333 3.736 2.392 159 HB3 GLU 21 HB2 GLU 21 13.975 4.089 0.803 160 HG2 GLU 21 HG3 GLU 21 12.956 6.315 0.898 161 HG3 GLU 21 HG2 GLU 21 12.339 5.977 2.512 162 H GLN 22 H GLN 22 11.587 1.743 2.090 163 HA GLN 22 HA GLN 22 12.871 -0.043 0.246 164 HB2 GLN 22 HB3 GLN 22 12.853 -0.474 2.728 165 HB3 GLN 22 HB2 GLN 22 11.204 -1.098 2.502 166 HG2 GLN 22 HG3 GLN 22 12.087 -2.765 0.938 167 HG3 GLN 22 HG2 GLN 22 13.693 -2.134 1.155 168 HE21 GLN 22 HE22 GLN 22 12.424 -4.767 1.728 169 HE22 GLN 22 HE21 GLN 22 12.921 -5.068 3.395 170 H LEU 23 H LEU 23 9.338 0.442 1.010 171 HA LEU 23 HA LEU 23 8.368 -1.441 -0.697 172 HB2 LEU 23 HB3 LEU 23 7.301 1.334 -0.045 173 HB3 LEU 23 HB2 LEU 23 6.386 0.050 -0.774 174 HG LEU 23 HG LEU 23 7.482 0.135 2.016 175 HD11 LEU 23 HD11 LEU 23 5.692 1.688 1.728 176 HD12 LEU 23 HD12 LEU 23 5.065 0.276 2.578 177 HD13 LEU 23 HD13 LEU 23 4.738 0.492 0.855 178 HD21 LEU 23 HD21 LEU 23 6.416 -1.861 2.456 179 HD22 LEU 23 HD22 LEU 23 7.200 -2.129 0.897 180 HD23 LEU 23 HD23 LEU 23 5.462 -1.789 0.971 181 H LYS 24 H LYS 24 9.241 1.670 -1.116 182 HA LYS 24 HA LYS 24 8.558 2.099 -3.906 183 HB2 LYS 24 HB3 LYS 24 10.746 3.651 -2.464 184 HB3 LYS 24 HB2 LYS 24 9.970 4.111 -3.979 185 HG2 LYS 24 HG3 LYS 24 7.821 4.261 -2.841 186 HG3 LYS 24 HG2 LYS 24 8.581 3.792 -1.339 187 HD2 LYS 24 HD3 LYS 24 9.003 6.363 -2.873 188 HD3 LYS 24 HD2 LYS 24 8.125 6.168 -1.369 189 HE2 LYS 24 HE3 LYS 24 10.199 7.127 -0.746 190 HE3 LYS 24 HE2 LYS 24 10.340 5.417 -0.353 191 HZ1 LYS 24 HZ1 LYS 24 11.254 5.739 -2.960 192 HZ2 LYS 24 HZ2 LYS 24 12.206 5.410 -1.579 193 HZ3 LYS 24 HZ3 LYS 24 11.889 6.997 -2.100 194 H SER 25 H SER 25 11.230 1.336 -2.533 195 HA SER 25 HA SER 25 13.093 0.793 -4.671 196 HB2 SER 25 HB3 SER 25 13.236 -0.816 -2.090 197 HB3 SER 25 HB2 SER 25 14.506 -0.779 -3.321 198 HG SER 25 HG SER 25 13.543 1.371 -1.742 199 H ALA 26 H ALA 26 11.037 -1.291 -3.075 200 HA ALA 26 HA ALA 26 11.132 -3.517 -4.900 201 HB1 ALA 26 HB1 ALA 26 9.622 -2.868 -2.565 202 HB2 ALA 26 HB2 ALA 26 9.777 -4.440 -3.347 203 HB3 ALA 26 HB3 ALA 26 8.485 -3.322 -3.824 204 H CYS 27 H CYS 27 8.860 -0.738 -4.655 205 HA CYS 27 HA CYS 27 7.450 -1.363 -6.989 206 HB2 CYS 27 HB3 CYS 27 7.665 1.303 -5.662 207 HB3 CYS 27 HB2 CYS 27 6.460 0.674 -6.779 208 HG CYS 27 HG CYS 27 6.960 -0.728 -3.741 209 H LYS 28 H LYS 28 10.520 -0.209 -6.897 210 HA LYS 28 HA LYS 28 10.626 2.179 -8.124 211 HB2 LYS 28 HB3 LYS 28 12.912 1.687 -8.818 212 HB3 LYS 28 HB2 LYS 28 12.574 0.882 -7.277 213 HG2 LYS 28 HG3 LYS 28 12.237 -1.213 -8.409 214 HG3 LYS 28 HG2 LYS 28 12.514 -0.440 -9.967 215 HD2 LYS 28 HD3 LYS 28 14.825 0.127 -9.188 216 HD3 LYS 28 HD2 LYS 28 14.498 -0.800 -7.718 217 HE2 LYS 28 HE3 LYS 28 14.456 -1.890 -10.544 218 HE3 LYS 28 HE2 LYS 28 15.734 -2.150 -9.362 219 HZ1 LYS 28 HZ1 LYS 28 13.323 -2.940 -8.205 220 HZ2 LYS 28 HZ2 LYS 28 14.642 -3.893 -8.672 221 HZ3 LYS 28 HZ3 LYS 28 13.389 -3.615 -9.781 222 H GLU 29 H GLU 29 10.129 -0.844 -9.682 223 HA GLU 29 HA GLU 29 10.423 0.060 -12.328 224 HB2 GLU 29 HB3 GLU 29 9.115 -2.441 -11.262 225 HB3 GLU 29 HB2 GLU 29 9.693 -2.184 -12.912 226 HG2 GLU 29 HG3 GLU 29 11.962 -1.890 -12.113 227 HG3 GLU 29 HG2 GLU 29 11.415 -2.040 -10.462 228 H ASP 30 H ASP 30 7.668 -0.412 -10.186 229 HA ASP 30 HA ASP 30 5.852 0.314 -12.305 230 HB2 ASP 30 HB3 ASP 30 5.356 -0.663 -9.536 231 HB3 ASP 30 HB2 ASP 30 4.058 -0.031 -10.551 232 H ILE 31 H ILE 31 6.795 1.763 -9.194 233 HA ILE 31 HA ILE 31 5.088 3.975 -9.958 234 HB ILE 31 HB ILE 31 4.983 2.890 -7.618 235 HG12 ILE 31 HG13 ILE 31 4.102 5.180 -7.969 236 HG13 ILE 31 HG12 ILE 31 4.667 4.903 -6.324 237 HG21 ILE 31 HG21 ILE 31 7.467 2.722 -7.447 238 HG22 ILE 31 HG22 ILE 31 6.536 3.208 -6.009 239 HG23 ILE 31 HG23 ILE 31 7.415 4.432 -6.960 240 HD11 ILE 31 HD11 ILE 31 6.161 6.494 -6.461 241 HD12 ILE 31 HD12 ILE 31 5.240 7.101 -7.845 242 HD13 ILE 31 HD13 ILE 31 6.625 6.031 -8.130 243 HA PRO 32 HA PRO 32 8.461 5.769 -11.749 244 HB2 PRO 32 HB2 PRO 32 7.288 8.419 -11.080 245 HB3 PRO 32 HB3 PRO 32 7.800 7.787 -12.646 246 HG2 PRO 32 HG3 PRO 32 5.211 7.900 -12.011 247 HG3 PRO 32 HG2 PRO 32 5.862 6.543 -12.935 248 HD2 PRO 32 HD3 PRO 32 5.180 6.709 -10.046 249 HD3 PRO 32 HD2 PRO 32 4.919 5.340 -11.160 250 H SER 33 H SER 33 10.248 6.306 -11.213 251 HA SER 33 HA SER 33 11.402 6.436 -8.637 252 HB2 SER 33 HB3 SER 33 12.850 5.962 -10.590 253 HB3 SER 33 HB2 SER 33 12.758 7.644 -11.101 254 HG SER 33 HG SER 33 13.630 7.387 -8.515 255 H GLU 34 H GLU 34 10.900 8.996 -10.723 256 HA GLU 34 HA GLU 34 11.367 11.394 -9.360 257 HB2 GLU 34 HB3 GLU 34 10.514 11.395 -11.653 258 HB3 GLU 34 HB2 GLU 34 8.954 10.821 -11.088 259 HG2 GLU 34 HG3 GLU 34 8.710 12.955 -9.825 260 HG3 GLU 34 HG2 GLU 34 10.188 13.520 -10.607 261 H LYS 35 H LYS 35 8.526 9.613 -9.304 262 HA LYS 35 HA LYS 35 7.272 11.177 -7.273 263 HB2 LYS 35 HB3 LYS 35 6.266 8.672 -8.672 264 HB3 LYS 35 HB2 LYS 35 5.285 9.653 -7.559 265 HG2 LYS 35 HG3 LYS 35 6.706 10.787 -9.960 266 HG3 LYS 35 HG2 LYS 35 5.019 10.242 -9.983 267 HD2 LYS 35 HD3 LYS 35 4.299 11.829 -8.610 268 HD3 LYS 35 HD2 LYS 35 5.827 12.016 -7.784 269 HE2 LYS 35 HE3 LYS 35 5.234 14.028 -9.130 270 HE3 LYS 35 HE2 LYS 35 6.755 13.313 -9.616 271 HZ1 LYS 35 HZ1 LYS 35 5.132 14.096 -11.366 272 HZ2 LYS 35 HZ2 LYS 35 4.271 12.664 -11.085 273 HZ3 LYS 35 HZ3 LYS 35 5.929 12.671 -11.593 274 H SER 36 H SER 36 8.489 7.875 -7.170 275 HA SER 36 HA SER 36 8.255 7.189 -4.552 276 HB2 SER 36 HB3 SER 36 9.319 5.780 -6.065 277 HB3 SER 36 HB2 SER 36 10.551 6.969 -6.499 278 HG SER 36 HG SER 36 11.669 6.384 -4.897 279 H GLU 37 H GLU 37 10.106 9.479 -5.826 280 HA GLU 37 HA GLU 37 11.730 9.849 -3.555 281 HB2 GLU 37 HB3 GLU 37 11.665 11.781 -5.786 282 HB3 GLU 37 HB2 GLU 37 12.764 11.923 -4.411 283 HG2 GLU 37 HG3 GLU 37 12.571 9.619 -6.320 284 HG3 GLU 37 HG2 GLU 37 13.953 10.730 -6.132 285 H GLU 38 H GLU 38 8.884 11.970 -4.446 286 HA GLU 38 HA GLU 38 9.222 13.279 -2.034 287 HB2 GLU 38 HB3 GLU 38 7.130 14.263 -2.741 288 HB3 GLU 38 HB2 GLU 38 8.339 14.325 -4.037 289 HG2 GLU 38 HG3 GLU 38 7.259 12.493 -5.138 290 HG3 GLU 38 HG2 GLU 38 6.113 12.287 -3.840 291 H ILE 39 H ILE 39 8.528 10.212 -2.240 292 HA ILE 39 HA ILE 39 5.963 10.276 -0.954 293 HB ILE 39 HB ILE 39 7.624 7.905 -1.867 294 HG12 ILE 39 HG13 ILE 39 4.891 8.907 -2.727 295 HG13 ILE 39 HG12 ILE 39 6.400 9.330 -3.541 296 HG21 ILE 39 HG21 ILE 39 5.014 7.909 -0.335 297 HG22 ILE 39 HG22 ILE 39 6.519 7.073 0.064 298 HG23 ILE 39 HG23 ILE 39 5.601 6.575 -1.349 299 HD11 ILE 39 HD11 ILE 39 6.501 7.362 -4.511 300 HD12 ILE 39 HD12 ILE 39 4.760 7.473 -4.257 301 HD13 ILE 39 HD13 ILE 39 5.733 6.484 -3.153 302 H THR 40 H THR 40 6.979 11.642 0.552 303 HA THR 40 HA THR 40 8.423 10.456 2.748 304 HB THR 40 HB THR 40 9.089 12.640 2.069 305 HG1 THR 40 HG1 THR 40 8.067 12.292 4.553 306 HG21 THR 40 HG21 THR 40 7.566 13.837 1.001 307 HG22 THR 40 HG22 THR 40 7.046 14.433 2.586 308 HG23 THR 40 HG23 THR 40 6.238 13.049 1.826 309 H THR 41 H THR 41 5.507 9.909 2.177 310 HA THR 41 HA THR 41 4.892 9.327 4.807 311 HB THR 41 HB THR 41 4.122 11.483 5.088 312 HG1 THR 41 HG1 THR 41 2.178 11.050 5.967 313 HG21 THR 41 HG21 THR 41 1.877 12.102 3.723 314 HG22 THR 41 HG22 THR 41 2.775 11.181 2.505 315 HG23 THR 41 HG23 THR 41 3.505 12.593 3.233 316 H GLY 42 H GLY 42 3.272 7.975 5.123 317 HA2 GLY 42 HA3 GLY 42 3.167 6.036 3.049 318 HA3 GLY 42 HA2 GLY 42 2.164 5.903 4.492 319 H SER 43 H SER 43 0.411 8.086 4.334 320 HA SER 43 HA SER 43 -1.449 7.455 2.553 321 HB2 SER 43 HB3 SER 43 -0.701 10.081 3.825 322 HB3 SER 43 HB2 SER 43 -2.285 9.727 3.114 323 HG SER 43 HG SER 43 -2.791 8.676 4.834 324 H ALA 44 H ALA 44 1.169 9.643 2.214 325 HA ALA 44 HA ALA 44 0.539 11.003 -0.197 326 HB1 ALA 44 HB1 ALA 44 3.007 10.674 1.242 327 HB2 ALA 44 HB2 ALA 44 2.551 11.949 0.133 328 HB3 ALA 44 HB3 ALA 44 3.315 10.486 -0.474 329 H TRP 45 H TRP 45 2.322 7.975 0.102 330 HA TRP 45 HA TRP 45 2.430 7.476 -2.661 331 HB2 TRP 45 HB3 TRP 45 3.814 6.338 -0.910 332 HB3 TRP 45 HB2 TRP 45 2.380 5.501 -0.376 333 HD1 TRP 45 HD1 TRP 45 3.706 5.887 -4.034 334 HE1 TRP 45 HE1 TRP 45 3.835 3.445 -4.973 335 HE3 TRP 45 HE3 TRP 45 2.378 3.227 0.119 336 HZ2 TRP 45 HZ2 TRP 45 3.546 0.918 -4.133 337 HZ3 TRP 45 HZ3 TRP 45 2.352 0.774 -0.035 338 HH2 TRP 45 HH2 TRP 45 2.920 -0.339 -2.149 339 H PHE 46 H PHE 46 0.116 6.339 -0.279 340 HA PHE 46 HA PHE 46 -1.398 4.958 -2.164 341 HB2 PHE 46 HB3 PHE 46 -2.463 6.410 0.268 342 HB3 PHE 46 HB2 PHE 46 -3.378 5.292 -0.736 343 HD1 PHE 46 HD1 PHE 46 -2.137 3.054 -1.183 344 HD2 PHE 46 HD2 PHE 46 -1.503 5.544 2.233 345 HE1 PHE 46 HE1 PHE 46 -1.412 1.117 0.092 346 HE2 PHE 46 HE2 PHE 46 -0.824 3.584 3.506 347 HZ PHE 46 HZ PHE 46 -0.750 1.367 2.390 348 H SER 47 H SER 47 -1.723 8.053 -1.073 349 HA SER 47 HA SER 47 -3.767 9.041 -2.811 350 HB2 SER 47 HB3 SER 47 -1.636 10.744 -1.512 351 HB3 SER 47 HB2 SER 47 -3.123 11.364 -2.234 352 HG SER 47 HG SER 47 -3.974 9.545 -0.655 353 H PHE 48 H PHE 48 -0.343 8.870 -3.511 354 HA PHE 48 HA PHE 48 -0.557 10.239 -6.035 355 HB2 PHE 48 HB3 PHE 48 1.605 9.953 -4.992 356 HB3 PHE 48 HB2 PHE 48 1.378 8.220 -4.902 357 HD1 PHE 48 HD1 PHE 48 1.422 10.969 -7.459 358 HD2 PHE 48 HD2 PHE 48 2.232 6.945 -6.427 359 HE1 PHE 48 HE1 PHE 48 2.375 10.603 -9.686 360 HE2 PHE 48 HE2 PHE 48 3.218 6.569 -8.653 361 HZ PHE 48 HZ PHE 48 3.294 8.414 -10.293 362 H LEU 49 H LEU 49 -0.327 6.779 -4.967 363 HA LEU 49 HA LEU 49 -0.580 5.464 -7.245 364 HB2 LEU 49 HB3 LEU 49 -0.081 5.000 -4.861 365 HB3 LEU 49 HB2 LEU 49 -1.801 4.711 -4.618 366 HG LEU 49 HG LEU 49 -1.504 2.589 -6.162 367 HD11 LEU 49 HD11 LEU 49 0.321 3.722 -7.437 368 HD12 LEU 49 HD12 LEU 49 0.633 2.063 -6.885 369 HD13 LEU 49 HD13 LEU 49 1.347 3.433 -6.032 370 HD21 LEU 49 HD21 LEU 49 -1.088 2.727 -3.593 371 HD22 LEU 49 HD22 LEU 49 0.601 2.703 -4.047 372 HD23 LEU 49 HD23 LEU 49 -0.427 1.360 -4.517 373 H GLU 50 H GLU 50 -3.092 6.086 -4.973 374 HA GLU 50 HA GLU 50 -5.556 5.469 -6.209 375 HB2 GLU 50 HB3 GLU 50 -5.311 8.018 -4.567 376 HB3 GLU 50 HB2 GLU 50 -6.802 7.254 -5.011 377 HG2 GLU 50 HG3 GLU 50 -6.254 5.335 -3.615 378 HG3 GLU 50 HG2 GLU 50 -4.727 6.106 -3.162 379 H SER 51 H SER 51 -4.044 8.229 -6.333 380 HA SER 51 HA SER 51 -5.640 9.786 -8.174 381 HB2 SER 51 HB3 SER 51 -2.643 10.274 -7.896 382 HB3 SER 51 HB2 SER 51 -3.759 11.324 -8.767 383 HG SER 51 HG SER 51 -3.648 10.734 -6.018 384 H HIS 52 H HIS 52 -3.241 7.377 -8.851 385 HA HIS 52 HA HIS 52 -3.866 7.581 -11.710 386 HB2 HIS 52 HB3 HIS 52 -1.500 6.338 -10.361 387 HB3 HIS 52 HB2 HIS 52 -1.751 6.123 -12.120 388 HD1 HIS 52 HD1 HIS 52 0.375 7.449 -12.920 389 HD2 HIS 52 HD2 HIS 52 -1.772 9.233 -9.888 390 HE1 HIS 52 HE1 HIS 52 1.582 9.568 -12.485 391 H ASN 53 H ASN 53 -3.585 5.182 -12.707 392 HA ASN 53 HA ASN 53 -5.645 3.748 -11.326 393 HB2 ASN 53 HB3 ASN 53 -5.747 2.386 -13.440 394 HB3 ASN 53 HB2 ASN 53 -6.139 4.093 -13.635 395 HD21 ASN 53 HD22 ASN 53 -4.742 1.656 -15.177 396 HD22 ASN 53 HD21 ASN 53 -3.477 2.515 -16.009 397 H LYS 54 H LYS 54 -3.321 3.540 -9.887 398 HA LYS 54 HA LYS 54 -2.694 0.741 -10.361 399 HB2 LYS 54 HB3 LYS 54 -0.973 2.556 -8.616 400 HB3 LYS 54 HB2 LYS 54 -0.697 0.855 -8.869 401 HG2 LYS 54 HG3 LYS 54 -0.363 3.069 -10.908 402 HG3 LYS 54 HG2 LYS 54 0.804 1.946 -10.179 403 HD2 LYS 54 HD3 LYS 54 -1.451 1.041 -11.866 404 HD3 LYS 54 HD2 LYS 54 0.139 1.397 -12.541 405 HE2 LYS 54 HE3 LYS 54 1.104 -0.295 -10.987 406 HE3 LYS 54 HE2 LYS 54 -0.529 -0.669 -10.424 407 HZ1 LYS 54 HZ1 LYS 54 0.514 -2.152 -12.201 408 HZ2 LYS 54 HZ2 LYS 54 0.150 -0.926 -13.305 409 HZ3 LYS 54 HZ3 LYS 54 -1.090 -1.644 -12.426 410 H LEU 55 H LEU 55 -4.664 2.627 -8.429 411 HA LEU 55 HA LEU 55 -5.312 0.301 -6.837 412 HB2 LEU 55 HB3 LEU 55 -3.328 0.958 -5.599 413 HB3 LEU 55 HB2 LEU 55 -3.866 2.614 -5.476 414 HG LEU 55 HG LEU 55 -5.236 0.315 -4.024 415 HD11 LEU 55 HD11 LEU 55 -2.676 1.313 -3.531 416 HD12 LEU 55 HD12 LEU 55 -3.717 0.451 -2.376 417 HD13 LEU 55 HD13 LEU 55 -3.709 2.198 -2.402 418 HD21 LEU 55 HD21 LEU 55 -6.638 1.825 -3.239 419 HD22 LEU 55 HD22 LEU 55 -5.960 2.994 -4.361 420 HD23 LEU 55 HD23 LEU 55 -5.306 2.883 -2.720 421 H ASP 56 H ASP 56 -7.284 0.268 -6.792 422 HA ASP 56 HA ASP 56 -9.123 2.481 -6.531 423 HB2 ASP 56 HB3 ASP 56 -9.723 -0.426 -6.665 424 HB3 ASP 56 HB2 ASP 56 -10.924 0.791 -6.288 425 H LYS 57 H LYS 57 -10.928 2.285 -5.214 426 HA LYS 57 HA LYS 57 -10.261 2.438 -2.454 427 HB2 LYS 57 HB3 LYS 57 -12.472 2.984 -2.020 428 HB3 LYS 57 HB2 LYS 57 -12.248 3.650 -3.634 429 HG2 LYS 57 HG3 LYS 57 -13.606 1.127 -2.832 430 HG3 LYS 57 HG2 LYS 57 -14.420 2.572 -3.486 431 HD2 LYS 57 HD3 LYS 57 -12.364 0.976 -4.809 432 HD3 LYS 57 HD2 LYS 57 -14.075 0.522 -4.988 433 HE2 LYS 57 HE3 LYS 57 -12.769 3.136 -5.927 434 HE3 LYS 57 HE2 LYS 57 -13.183 1.798 -6.985 435 HZ1 LYS 57 HZ1 LYS 57 -14.880 3.920 -6.273 436 HZ2 LYS 57 HZ2 LYS 57 -15.516 2.515 -5.572 437 HZ3 LYS 57 HZ3 LYS 57 -15.188 2.592 -7.201 438 H ASP 58 H ASP 58 -11.003 -0.188 -4.560 439 HA ASP 58 HA ASP 58 -11.533 -1.993 -2.337 440 HB2 ASP 58 HB3 ASP 58 -12.291 -2.282 -5.241 441 HB3 ASP 58 HB2 ASP 58 -12.397 -3.594 -4.093 442 H ASN 59 H ASN 59 -9.654 -1.474 -5.128 443 HA ASN 59 HA ASN 59 -8.442 -4.029 -4.894 444 HB2 ASN 59 HB3 ASN 59 -7.998 -1.820 -6.856 445 HB3 ASN 59 HB2 ASN 59 -7.181 -3.387 -6.944 446 HD21 ASN 59 HD22 ASN 59 -9.896 -1.690 -7.823 447 HD22 ASN 59 HD21 ASN 59 -10.926 -2.995 -8.197 448 H LEU 60 H LEU 60 -6.843 -4.606 -4.140 449 HA LEU 60 HA LEU 60 -4.907 -2.778 -2.949 450 HB2 LEU 60 HB3 LEU 60 -4.842 -4.400 -1.031 451 HB3 LEU 60 HB2 LEU 60 -6.292 -3.431 -1.219 452 HG LEU 60 HG LEU 60 -7.382 -5.433 -2.266 453 HD11 LEU 60 HD11 LEU 60 -4.753 -6.552 -1.839 454 HD12 LEU 60 HD12 LEU 60 -6.009 -6.999 -2.983 455 HD13 LEU 60 HD13 LEU 60 -6.085 -7.606 -1.331 456 HD21 LEU 60 HD21 LEU 60 -8.079 -6.270 -0.263 457 HD22 LEU 60 HD22 LEU 60 -7.432 -4.692 0.182 458 HD23 LEU 60 HD23 LEU 60 -6.482 -6.159 0.476 459 H SER 61 H SER 61 -5.188 -5.633 -4.624 460 HA SER 61 HA SER 61 -2.907 -6.955 -3.983 461 HB2 SER 61 HB3 SER 61 -4.175 -7.069 -6.706 462 HB3 SER 61 HB2 SER 61 -2.929 -8.195 -6.161 463 HG SER 61 HG SER 61 -4.284 -8.647 -4.357 464 H TYR 62 H TYR 62 -2.898 -4.307 -5.992 465 HA TYR 62 HA TYR 62 -0.226 -4.340 -7.050 466 HB2 TYR 62 HB3 TYR 62 -1.704 -2.427 -7.653 467 HB3 TYR 62 HB2 TYR 62 -1.680 -1.867 -5.976 468 HD1 TYR 62 HD2 TYR 62 0.484 -2.375 -8.960 469 HD2 TYR 62 HD1 TYR 62 0.120 -0.428 -5.180 470 HE1 TYR 62 HE2 TYR 62 2.557 -1.085 -9.360 471 HE2 TYR 62 HE1 TYR 62 2.216 0.663 -5.535 472 HH TYR 62 HH TYR 62 4.354 -0.118 -7.929 473 H ILE 63 H ILE 63 -1.498 -3.089 -4.065 474 HA ILE 63 HA ILE 63 1.058 -2.415 -2.942 475 HB ILE 63 HB ILE 63 -0.037 -1.376 -1.192 476 HG12 ILE 63 HG13 ILE 63 -2.649 -2.629 -2.050 477 HG13 ILE 63 HG12 ILE 63 -1.690 -3.209 -0.686 478 HG21 ILE 63 HG21 ILE 63 -0.961 -1.086 -3.847 479 HG22 ILE 63 HG22 ILE 63 -0.300 0.116 -2.706 480 HG23 ILE 63 HG23 ILE 63 -2.007 -0.392 -2.615 481 HD11 ILE 63 HD11 ILE 63 -2.825 -0.478 -0.994 482 HD12 ILE 63 HD12 ILE 63 -1.756 -1.086 0.270 483 HD13 ILE 63 HD13 ILE 63 -3.405 -1.774 0.115 484 H GLU 64 H GLU 64 -1.060 -4.997 -2.891 485 HA GLU 64 HA GLU 64 -0.482 -6.264 -0.347 486 HB2 GLU 64 HB3 GLU 64 -2.430 -6.865 -1.803 487 HB3 GLU 64 HB2 GLU 64 -1.310 -7.410 -3.034 488 HG2 GLU 64 HG3 GLU 64 -0.555 -9.184 -1.443 489 HG3 GLU 64 HG2 GLU 64 -1.823 -8.631 -0.346 490 H HIS 65 H HIS 65 0.622 -6.924 -3.661 491 HA HIS 65 HA HIS 65 2.820 -8.525 -3.205 492 HB2 HIS 65 HB3 HIS 65 1.678 -7.799 -5.334 493 HB3 HIS 65 HB2 HIS 65 2.341 -6.206 -5.031 494 HD1 HIS 65 HD1 HIS 65 3.682 -9.728 -5.577 495 HD2 HIS 65 HD2 HIS 65 4.529 -5.737 -6.267 496 HE1 HIS 65 HE1 HIS 65 5.866 -9.765 -6.819 497 H ILE 66 H ILE 66 2.906 -5.146 -3.597 498 HA ILE 66 HA ILE 66 5.396 -4.653 -3.074 499 HB ILE 66 HB ILE 66 3.257 -2.994 -1.817 500 HG12 ILE 66 HG13 ILE 66 2.945 -3.465 -4.009 501 HG13 ILE 66 HG12 ILE 66 3.232 -1.687 -4.002 502 HG21 ILE 66 HG21 ILE 66 5.523 -2.389 -0.895 503 HG22 ILE 66 HG22 ILE 66 4.863 -1.082 -1.826 504 HG23 ILE 66 HG23 ILE 66 6.117 -2.093 -2.511 505 HD11 ILE 66 HD11 ILE 66 4.869 -4.013 -4.995 506 HD12 ILE 66 HD12 ILE 66 5.585 -2.418 -4.732 507 HD13 ILE 66 HD13 ILE 66 4.265 -2.589 -5.901 508 H PHE 67 H PHE 67 2.916 -5.048 -0.379 509 HA PHE 67 HA PHE 67 4.868 -4.749 1.449 510 HB2 PHE 67 HB3 PHE 67 2.122 -5.947 1.690 511 HB3 PHE 67 HB2 PHE 67 3.198 -5.495 3.020 512 HD1 PHE 67 HD2 PHE 67 4.207 -2.939 2.593 513 HD2 PHE 67 HD1 PHE 67 0.494 -4.505 1.320 514 HE1 PHE 67 HE2 PHE 67 3.340 -0.632 2.393 515 HE2 PHE 67 HE1 PHE 67 -0.408 -2.220 1.119 516 HZ PHE 67 HZ PHE 67 1.024 -0.280 1.658 517 H GLU 68 H GLU 68 3.959 -7.660 -0.495 518 HA GLU 68 HA GLU 68 4.922 -9.505 1.444 519 HB2 GLU 68 HB3 GLU 68 3.439 -10.171 -0.437 520 HB3 GLU 68 HB2 GLU 68 4.700 -9.745 -1.591 521 HG2 GLU 68 HG3 GLU 68 6.174 -11.421 -0.304 522 HG3 GLU 68 HG2 GLU 68 4.656 -11.953 0.413 523 H ILE 69 H ILE 69 6.099 -8.160 -1.606 524 HA ILE 69 HA ILE 69 8.478 -9.316 -1.563 525 HB ILE 69 HB ILE 69 9.217 -7.788 -3.286 526 HG12 ILE 69 HG13 ILE 69 6.559 -6.399 -2.798 527 HG13 ILE 69 HG12 ILE 69 8.168 -5.700 -2.601 528 HG21 ILE 69 HG21 ILE 69 8.128 -9.126 -4.658 529 HG22 ILE 69 HG22 ILE 69 6.593 -8.348 -4.249 530 HG23 ILE 69 HG23 ILE 69 7.199 -9.676 -3.245 531 HD11 ILE 69 HD11 ILE 69 8.458 -5.463 -4.823 532 HD12 ILE 69 HD12 ILE 69 6.669 -5.421 -4.745 533 HD13 ILE 69 HD13 ILE 69 7.514 -6.937 -5.112 534 H SER 70 H SER 70 7.735 -6.239 -0.223 535 HA SER 70 HA SER 70 10.489 -5.709 0.546 536 HB2 SER 70 HB3 SER 70 9.535 -3.705 1.601 537 HB3 SER 70 HB2 SER 70 9.008 -3.853 -0.073 538 HG SER 70 HG SER 70 7.035 -4.499 0.570 539 H ARG 71 H ARG 71 11.022 -5.499 2.856 540 HA ARG 71 HA ARG 71 9.703 -7.556 4.270 541 HB2 ARG 71 HB3 ARG 71 12.269 -6.156 4.954 542 HB3 ARG 71 HB2 ARG 71 11.481 -7.289 6.067 543 HG2 ARG 71 HG3 ARG 71 12.233 -7.953 3.222 544 HG3 ARG 71 HG2 ARG 71 13.210 -8.354 4.647 545 HD2 ARG 71 HD3 ARG 71 11.479 -9.780 5.511 546 HD3 ARG 71 HD2 ARG 71 10.334 -9.236 4.290 547 HE ARG 71 HE ARG 71 12.293 -11.282 4.054 548 HH11 ARG 71 HH11 ARG 71 10.223 -9.086 2.203 549 HH12 ARG 71 HH12 ARG 71 10.620 -9.672 0.672 550 HH21 ARG 71 HH22 ARG 71 12.904 -12.156 1.902 551 HH22 ARG 71 HH21 ARG 71 12.168 -11.557 0.504 552 H ARG 72 H ARG 72 7.847 -6.340 4.117 553 HA ARG 72 HA ARG 72 7.125 -5.252 6.712 554 HB2 ARG 72 HB3 ARG 72 6.551 -3.908 4.051 555 HB3 ARG 72 HB2 ARG 72 5.724 -3.519 5.537 556 HG2 ARG 72 HG3 ARG 72 8.647 -3.389 5.388 557 HG3 ARG 72 HG2 ARG 72 7.701 -2.066 4.683 558 HD2 ARG 72 HD3 ARG 72 8.469 -1.551 6.980 559 HD3 ARG 72 HD2 ARG 72 6.722 -1.664 6.926 560 HE ARG 72 HE ARG 72 7.728 -4.126 7.809 561 HH11 ARG 72 HH11 ARG 72 7.707 -0.737 8.945 562 HH12 ARG 72 HH12 ARG 72 7.663 -1.147 10.569 563 HH21 ARG 72 HH22 ARG 72 7.523 -4.698 10.048 564 HH22 ARG 72 HH21 ARG 72 7.599 -3.488 11.243 565 HA PRO 73 HA PRO 73 4.353 -8.421 4.681 566 HB2 PRO 73 HB2 PRO 73 4.704 -10.442 6.436 567 HB3 PRO 73 HB3 PRO 73 5.705 -10.272 4.971 568 HG2 PRO 73 HG3 PRO 73 6.209 -9.463 7.776 569 HG3 PRO 73 HG2 PRO 73 7.315 -10.285 6.631 570 HD2 PRO 73 HD3 PRO 73 7.428 -7.638 7.171 571 HD3 PRO 73 HD2 PRO 73 7.818 -8.301 5.559 572 H ASP 74 H ASP 74 5.002 -6.887 7.596 573 HA ASP 74 HA ASP 74 2.953 -7.763 9.329 574 HB2 ASP 74 HB3 ASP 74 4.333 -5.049 9.132 575 HB3 ASP 74 HB2 ASP 74 3.614 -5.759 10.574 576 H LEU 75 H LEU 75 3.486 -5.181 7.354 577 HA LEU 75 HA LEU 75 0.908 -3.946 7.318 578 HB2 LEU 75 HB3 LEU 75 3.088 -3.643 5.223 579 HB3 LEU 75 HB2 LEU 75 1.608 -2.731 5.197 580 HG LEU 75 HG LEU 75 2.272 -1.538 7.304 581 HD11 LEU 75 HD11 LEU 75 4.775 -3.206 7.134 582 HD12 LEU 75 HD12 LEU 75 3.566 -3.244 8.414 583 HD13 LEU 75 HD13 LEU 75 4.542 -1.798 8.165 584 HD21 LEU 75 HD21 LEU 75 4.624 -1.447 5.495 585 HD22 LEU 75 HD22 LEU 75 3.752 -0.144 6.318 586 HD23 LEU 75 HD23 LEU 75 3.014 -0.937 4.941 587 H LEU 76 H LEU 76 2.425 -5.998 5.169 588 HA LEU 76 HA LEU 76 0.475 -6.727 3.133 589 HB2 LEU 76 HB3 LEU 76 2.670 -8.081 3.291 590 HB3 LEU 76 HB2 LEU 76 1.849 -8.945 4.612 591 HG LEU 76 HG LEU 76 0.030 -9.351 2.977 592 HD11 LEU 76 HD11 LEU 76 1.220 -9.706 0.656 593 HD12 LEU 76 HD12 LEU 76 1.668 -8.077 1.212 594 HD13 LEU 76 HD13 LEU 76 -0.029 -8.566 1.161 595 HD21 LEU 76 HD21 LEU 76 0.714 -11.394 3.292 596 HD22 LEU 76 HD22 LEU 76 2.370 -10.858 3.547 597 HD23 LEU 76 HD23 LEU 76 1.837 -11.214 1.906 598 H THR 77 H THR 77 0.942 -8.243 6.113 599 HA THR 77 HA THR 77 -1.144 -9.954 6.391 600 HB THR 77 HB THR 77 0.204 -8.304 8.473 601 HG1 THR 77 HG1 THR 77 1.619 -9.696 7.596 602 HG21 THR 77 HG21 THR 77 -1.546 -8.843 9.639 603 HG22 THR 77 HG22 THR 77 -0.618 -10.351 9.889 604 HG23 THR 77 HG23 THR 77 -1.922 -10.257 8.638 605 H MET 78 H MET 78 -1.150 -6.641 7.252 606 HA MET 78 HA MET 78 -3.833 -6.513 8.112 607 HB2 MET 78 HB3 MET 78 -2.117 -4.286 7.053 608 HB3 MET 78 HB2 MET 78 -3.716 -4.061 7.743 609 HG2 MET 78 HG3 MET 78 -1.506 -5.400 9.223 610 HG3 MET 78 HG2 MET 78 -1.729 -3.639 9.314 611 HE1 MET 78 HE1 MET 78 -3.641 -7.159 11.283 612 HE2 MET 78 HE2 MET 78 -3.383 -7.064 9.554 613 HE3 MET 78 HE3 MET 78 -4.954 -6.659 10.234 614 H VAL 79 H VAL 79 -2.439 -6.190 4.902 615 HA VAL 79 HA VAL 79 -4.809 -5.325 3.578 616 HB VAL 79 HB VAL 79 -2.440 -6.879 2.500 617 HG11 VAL 79 HG11 VAL 79 -3.078 -5.265 0.502 618 HG12 VAL 79 HG12 VAL 79 -4.668 -5.496 1.204 619 HG13 VAL 79 HG13 VAL 79 -3.715 -6.901 0.671 620 HG21 VAL 79 HG21 VAL 79 -1.309 -5.134 3.348 621 HG22 VAL 79 HG22 VAL 79 -2.695 -4.050 3.283 622 HG23 VAL 79 HG23 VAL 79 -1.786 -4.402 1.808 623 H VAL 80 H VAL 80 -3.140 -8.400 3.940 624 HA VAL 80 HA VAL 80 -4.982 -10.203 2.747 625 HB VAL 80 HB VAL 80 -3.125 -10.668 5.145 626 HG11 VAL 80 HG11 VAL 80 -4.424 -12.662 3.309 627 HG12 VAL 80 HG12 VAL 80 -4.760 -12.395 5.025 628 HG13 VAL 80 HG13 VAL 80 -3.185 -13.016 4.525 629 HG21 VAL 80 HG21 VAL 80 -1.956 -11.858 2.952 630 HG22 VAL 80 HG22 VAL 80 -1.484 -10.313 3.665 631 HG23 VAL 80 HG23 VAL 80 -2.596 -10.354 2.294 632 H ASP 81 H ASP 81 -4.635 -9.342 5.931 633 HA ASP 81 HA ASP 81 -6.807 -10.613 7.117 634 HB2 ASP 81 HB3 ASP 81 -5.191 -9.540 8.616 635 HB3 ASP 81 HB2 ASP 81 -5.772 -7.951 8.118 636 H TYR 82 H TYR 82 -6.641 -7.431 5.847 637 HA TYR 82 HA TYR 82 -9.192 -6.300 6.248 638 HB2 TYR 82 HB3 TYR 82 -7.420 -5.023 5.399 639 HB3 TYR 82 HB2 TYR 82 -7.299 -6.026 3.940 640 HD1 TYR 82 HD2 TYR 82 -9.687 -3.934 5.813 641 HD2 TYR 82 HD1 TYR 82 -8.365 -5.425 2.120 642 HE1 TYR 82 HE2 TYR 82 -11.263 -2.431 4.647 643 HE2 TYR 82 HE1 TYR 82 -9.934 -3.979 0.918 644 HH TYR 82 HH TYR 82 -11.403 -2.282 1.145 645 H ARG 83 H ARG 83 -7.916 -8.057 3.480 646 HA ARG 83 HA ARG 83 -10.117 -8.106 1.865 647 HB2 ARG 83 HB3 ARG 83 -8.037 -8.560 0.964 648 HB3 ARG 83 HB2 ARG 83 -7.607 -9.701 2.209 649 HG2 ARG 83 HG3 ARG 83 -9.670 -10.309 0.205 650 HG3 ARG 83 HG2 ARG 83 -7.939 -10.511 -0.206 651 HD2 ARG 83 HD3 ARG 83 -7.800 -11.952 1.818 652 HD3 ARG 83 HD2 ARG 83 -9.548 -11.853 1.982 653 HE ARG 83 HE ARG 83 -8.898 -12.681 -0.634 654 HH11 ARG 83 HH11 ARG 83 -8.921 -14.004 2.688 655 HH12 ARG 83 HH12 ARG 83 -8.982 -15.629 2.157 656 HH21 ARG 83 HH22 ARG 83 -8.976 -14.870 -1.305 657 HH22 ARG 83 HH21 ARG 83 -9.047 -16.144 -0.191 658 H THR 84 H THR 84 -9.121 -10.260 4.069 659 HA THR 84 HA THR 84 -11.299 -12.142 4.025 660 HB THR 84 HB THR 84 -9.510 -11.495 6.270 661 HG1 THR 84 HG1 THR 84 -8.018 -12.362 4.962 662 HG21 THR 84 HG21 THR 84 -11.378 -12.744 6.816 663 HG22 THR 84 HG22 THR 84 -9.924 -13.756 6.991 664 HG23 THR 84 HG23 THR 84 -10.995 -13.947 5.553 665 H ARG 85 H ARG 85 -10.550 -10.008 6.367 666 HA ARG 85 HA ARG 85 -12.775 -10.063 7.908 667 HB2 ARG 85 HB3 ARG 85 -12.276 -7.961 9.204 668 HB3 ARG 85 HB2 ARG 85 -10.889 -9.010 8.986 669 HG2 ARG 85 HG3 ARG 85 -10.012 -6.838 8.676 670 HG3 ARG 85 HG2 ARG 85 -10.288 -7.437 7.049 671 HD2 ARG 85 HD3 ARG 85 -11.001 -5.224 7.071 672 HD3 ARG 85 HD2 ARG 85 -12.433 -6.285 7.072 673 HE ARG 85 HE ARG 85 -13.110 -5.129 8.899 674 HH11 ARG 85 HH11 ARG 85 -9.528 -5.332 9.196 675 HH12 ARG 85 HH12 ARG 85 -9.496 -4.494 10.683 676 HH21 ARG 85 HH22 ARG 85 -12.955 -3.935 10.942 677 HH22 ARG 85 HH21 ARG 85 -11.436 -3.740 11.691 678 H VAL 86 H VAL 86 -12.359 -7.757 5.646 679 HA VAL 86 HA VAL 86 -15.012 -6.638 5.585 680 HB VAL 86 HB VAL 86 -13.058 -6.803 3.300 681 HG11 VAL 86 HG11 VAL 86 -15.608 -6.321 2.762 682 HG12 VAL 86 HG12 VAL 86 -14.405 -5.259 2.069 683 HG13 VAL 86 HG13 VAL 86 -15.300 -4.757 3.518 684 HG21 VAL 86 HG21 VAL 86 -13.202 -4.212 4.125 685 HG22 VAL 86 HG22 VAL 86 -11.985 -5.402 4.594 686 HG23 VAL 86 HG23 VAL 86 -13.387 -5.136 5.628 687 H LEU 87 H LEU 87 -13.651 -9.390 3.990 688 HA LEU 87 HA LEU 87 -15.839 -10.241 2.441 689 HB2 LEU 87 HB3 LEU 87 -13.632 -11.058 2.047 690 HB3 LEU 87 HB2 LEU 87 -13.424 -11.501 3.715 691 HG LEU 87 HG LEU 87 -14.762 -13.319 3.512 692 HD11 LEU 87 HD11 LEU 87 -15.624 -11.988 1.010 693 HD12 LEU 87 HD12 LEU 87 -16.458 -13.280 1.866 694 HD13 LEU 87 HD13 LEU 87 -15.184 -13.662 0.688 695 HD21 LEU 87 HD21 LEU 87 -13.261 -14.669 2.370 696 HD22 LEU 87 HD22 LEU 87 -12.359 -13.175 2.661 697 HD23 LEU 87 HD23 LEU 87 -13.049 -13.492 1.078 698 H LYS 88 H LYS 88 -14.715 -11.062 5.654 699 HA LYS 88 HA LYS 88 -16.746 -12.772 6.373 700 HB2 LYS 88 HB3 LYS 88 -14.461 -12.408 7.496 701 HB3 LYS 88 HB2 LYS 88 -15.183 -11.030 8.293 702 HG2 LYS 88 HG3 LYS 88 -15.159 -12.892 9.813 703 HG3 LYS 88 HG2 LYS 88 -16.839 -12.570 9.347 704 HD2 LYS 88 HD3 LYS 88 -16.795 -14.361 7.731 705 HD3 LYS 88 HD2 LYS 88 -15.075 -14.669 8.067 706 HE2 LYS 88 HE3 LYS 88 -16.451 -16.320 9.164 707 HE3 LYS 88 HE2 LYS 88 -15.654 -15.312 10.360 708 HZ1 LYS 88 HZ1 LYS 88 -17.999 -15.786 10.871 709 HZ2 LYS 88 HZ2 LYS 88 -18.489 -15.005 9.465 710 HZ3 LYS 88 HZ3 LYS 88 -17.764 -14.134 10.718 711 H ILE 89 H ILE 89 -16.576 -9.223 6.567 712 HA ILE 89 HA ILE 89 -18.789 -8.830 8.235 713 HB ILE 89 HB ILE 89 -17.209 -7.140 6.335 714 HG12 ILE 89 HG13 ILE 89 -17.261 -7.140 9.367 715 HG13 ILE 89 HG12 ILE 89 -15.976 -7.722 8.303 716 HG21 ILE 89 HG21 ILE 89 -18.343 -5.145 7.454 717 HG22 ILE 89 HG22 ILE 89 -19.639 -6.339 7.745 718 HG23 ILE 89 HG23 ILE 89 -19.044 -6.062 6.107 719 HD11 ILE 89 HD11 ILE 89 -15.306 -5.604 7.723 720 HD12 ILE 89 HD12 ILE 89 -15.714 -5.424 9.429 721 HD13 ILE 89 HD13 ILE 89 -16.850 -4.880 8.198 722 H SER 90 H SER 90 -18.218 -8.663 4.748 723 HA SER 90 HA SER 90 -20.933 -7.832 4.269 724 HB2 SER 90 HB3 SER 90 -18.758 -8.548 2.287 725 HB3 SER 90 HB2 SER 90 -20.292 -7.696 1.975 726 HG SER 90 HG SER 90 -18.078 -6.856 3.481 Start of MODEL 3 1 H1 MET 1 H MET 1 -16.198 1.270 1.159 2 H2 MET 1 H2 MET 1 -15.529 0.835 2.658 3 H3 MET 1 H3 MET 1 -16.460 2.219 2.514 4 HA MET 1 HA MET 1 -13.949 1.896 0.982 5 HB2 MET 1 HB3 MET 1 -15.522 3.516 0.039 6 HB3 MET 1 HB2 MET 1 -15.621 4.349 1.605 7 HG2 MET 1 HG3 MET 1 -13.228 4.901 1.416 8 HG3 MET 1 HG2 MET 1 -13.174 4.120 -0.150 9 HE1 MET 1 HE1 MET 1 -15.860 4.907 -1.478 10 HE2 MET 1 HE2 MET 1 -14.381 5.203 -2.404 11 HE3 MET 1 HE3 MET 1 -15.582 6.479 -2.243 12 H ALA 2 H ALA 2 -15.315 3.107 3.732 13 HA ALA 2 HA ALA 2 -13.043 4.418 4.898 14 HB1 ALA 2 HB1 ALA 2 -14.567 5.068 6.470 15 HB2 ALA 2 HB2 ALA 2 -14.381 3.488 7.212 16 HB3 ALA 2 HB3 ALA 2 -15.646 3.747 6.023 17 H GLU 3 H GLU 3 -14.108 1.243 5.627 18 HA GLU 3 HA GLU 3 -12.300 0.102 7.134 19 HB2 GLU 3 HB3 GLU 3 -12.860 -1.154 4.459 20 HB3 GLU 3 HB2 GLU 3 -12.513 -1.990 5.938 21 HG2 GLU 3 HG3 GLU 3 -14.822 -2.385 5.420 22 HG3 GLU 3 HG2 GLU 3 -14.747 -1.266 6.771 23 H TYR 4 H TYR 4 -12.122 0.478 3.921 24 HA TYR 4 HA TYR 4 -9.420 -0.331 3.241 25 HB2 TYR 4 HB3 TYR 4 -11.168 -0.096 1.459 26 HB3 TYR 4 HB2 TYR 4 -10.877 1.670 1.474 27 HD1 TYR 4 HD2 TYR 4 -8.795 -1.353 1.610 28 HD2 TYR 4 HD1 TYR 4 -9.596 2.229 -0.595 29 HE1 TYR 4 HE2 TYR 4 -7.011 -1.908 0.071 30 HE2 TYR 4 HE1 TYR 4 -7.804 1.662 -2.124 31 HH TYR 4 HH TYR 4 -6.639 -0.666 -2.859 32 H GLY 5 H GLY 5 -10.865 2.706 3.648 33 HA2 GLY 5 HA3 GLY 5 -8.702 4.540 3.485 34 HA3 GLY 5 HA2 GLY 5 -10.067 4.832 4.542 35 H THR 6 H THR 6 -9.827 2.840 6.497 36 HA THR 6 HA THR 6 -7.694 3.710 8.089 37 HB THR 6 HB THR 6 -9.405 1.256 8.233 38 HG1 THR 6 HG1 THR 6 -9.786 3.942 9.121 39 HG21 THR 6 HG21 THR 6 -7.295 1.979 9.685 40 HG22 THR 6 HG22 THR 6 -8.586 0.899 10.213 41 HG23 THR 6 HG23 THR 6 -8.648 2.625 10.666 42 H LEU 7 H LEU 7 -8.291 0.879 6.305 43 HA LEU 7 HA LEU 7 -6.088 -0.812 6.791 44 HB2 LEU 7 HB3 LEU 7 -7.616 -1.539 5.095 45 HB3 LEU 7 HB2 LEU 7 -7.139 -0.223 4.035 46 HG LEU 7 HG LEU 7 -4.883 -1.198 3.919 47 HD11 LEU 7 HD11 LEU 7 -5.339 -3.833 4.504 48 HD12 LEU 7 HD12 LEU 7 -5.900 -2.924 5.904 49 HD13 LEU 7 HD13 LEU 7 -4.248 -2.709 5.305 50 HD21 LEU 7 HD21 LEU 7 -7.251 -1.950 2.642 51 HD22 LEU 7 HD22 LEU 7 -6.264 -3.408 2.792 52 HD23 LEU 7 HD23 LEU 7 -5.603 -1.966 2.005 53 H LEU 8 H LEU 8 -6.080 1.479 4.402 54 HA LEU 8 HA LEU 8 -3.317 1.585 3.662 55 HB2 LEU 8 HB3 LEU 8 -5.289 3.879 3.494 56 HB3 LEU 8 HB2 LEU 8 -3.619 3.934 2.963 57 HG LEU 8 HG LEU 8 -3.990 2.435 1.156 58 HD11 LEU 8 HD11 LEU 8 -6.848 2.056 1.840 59 HD12 LEU 8 HD12 LEU 8 -5.614 0.989 2.530 60 HD13 LEU 8 HD13 LEU 8 -5.823 1.074 0.786 61 HD21 LEU 8 HD21 LEU 8 -5.906 4.634 1.514 62 HD22 LEU 8 HD22 LEU 8 -6.223 3.517 0.183 63 HD23 LEU 8 HD23 LEU 8 -4.677 4.356 0.281 64 H GLN 9 H GLN 9 -5.036 3.259 6.066 65 HA GLN 9 HA GLN 9 -2.957 4.796 7.139 66 HB2 GLN 9 HB3 GLN 9 -5.052 5.732 7.135 67 HB3 GLN 9 HB2 GLN 9 -5.788 4.215 7.631 68 HG2 GLN 9 HG3 GLN 9 -5.434 4.481 9.629 69 HG3 GLN 9 HG2 GLN 9 -4.003 5.586 9.567 70 HE21 GLN 9 HE22 GLN 9 -4.479 7.690 9.594 71 HE22 GLN 9 HE21 GLN 9 -6.059 8.390 9.702 72 H ASP 10 H ASP 10 -4.024 1.754 7.616 73 HA ASP 10 HA ASP 10 -3.225 1.183 10.376 74 HB2 ASP 10 HB3 ASP 10 -4.141 -0.675 8.169 75 HB3 ASP 10 HB2 ASP 10 -3.477 -1.273 9.681 76 H LEU 11 H LEU 11 -1.958 0.601 7.116 77 HA LEU 11 HA LEU 11 0.399 -0.545 8.152 78 HB2 LEU 11 HB3 LEU 11 1.052 -0.795 5.872 79 HB3 LEU 11 HB2 LEU 11 -0.523 -1.545 6.184 80 HG LEU 11 HG LEU 11 -1.372 0.674 5.176 81 HD11 LEU 11 HD11 LEU 11 0.904 0.736 3.397 82 HD12 LEU 11 HD12 LEU 11 1.312 1.134 5.069 83 HD13 LEU 11 HD13 LEU 11 0.066 2.043 4.235 84 HD21 LEU 11 HD21 LEU 11 -0.216 -1.075 3.076 85 HD22 LEU 11 HD22 LEU 11 -1.876 -0.526 3.307 86 HD23 LEU 11 HD23 LEU 11 -1.275 -1.839 4.287 87 H THR 12 H THR 12 -0.807 2.390 7.122 88 HA THR 12 HA THR 12 1.580 3.913 6.776 89 HB THR 12 HB THR 12 -1.308 4.617 7.127 90 HG1 THR 12 HG1 THR 12 -0.966 3.943 5.183 91 HG21 THR 12 HG21 THR 12 -0.869 6.609 7.665 92 HG22 THR 12 HG22 THR 12 -0.093 6.742 6.060 93 HG23 THR 12 HG23 THR 12 0.904 6.301 7.532 94 H ASN 13 H ASN 13 -0.447 3.150 9.501 95 HA ASN 13 HA ASN 13 0.787 4.838 11.447 96 HB2 ASN 13 HB3 ASN 13 -0.535 2.133 11.910 97 HB3 ASN 13 HB2 ASN 13 0.026 3.162 13.195 98 HD21 ASN 13 HD22 ASN 13 -2.634 2.128 11.822 99 HD22 ASN 13 HD21 ASN 13 -3.668 3.490 11.968 100 H ASN 14 H ASN 14 1.565 1.795 10.097 101 HA ASN 14 HA ASN 14 3.848 1.391 11.868 102 HB2 ASN 14 HB3 ASN 14 2.809 -0.358 9.587 103 HB3 ASN 14 HB2 ASN 14 4.228 -0.736 10.528 104 HD21 ASN 14 HD22 ASN 14 2.272 0.638 12.746 105 HD22 ASN 14 HD21 ASN 14 1.455 -0.771 13.329 106 H ILE 15 H ILE 15 3.226 2.862 8.909 107 HA ILE 15 HA ILE 15 5.690 2.387 7.590 108 HB ILE 15 HB ILE 15 3.322 4.107 7.114 109 HG12 ILE 15 HG13 ILE 15 3.338 1.761 6.423 110 HG13 ILE 15 HG12 ILE 15 3.114 2.858 5.067 111 HG21 ILE 15 HG21 ILE 15 5.908 4.904 6.192 112 HG22 ILE 15 HG22 ILE 15 4.335 5.680 6.011 113 HG23 ILE 15 HG23 ILE 15 4.845 4.444 4.847 114 HD11 ILE 15 HD11 ILE 15 5.009 0.809 5.219 115 HD12 ILE 15 HD12 ILE 15 5.923 2.286 5.522 116 HD13 ILE 15 HD13 ILE 15 4.966 2.132 4.058 117 H THR 16 H THR 16 7.510 3.187 8.128 118 HA THR 16 HA THR 16 7.877 5.861 9.108 119 HB THR 16 HB THR 16 10.166 5.229 9.384 120 HG1 THR 16 HG1 THR 16 9.583 2.538 8.747 121 HG21 THR 16 HG21 THR 16 8.527 2.995 10.307 122 HG22 THR 16 HG22 THR 16 8.420 4.622 11.016 123 HG23 THR 16 HG23 THR 16 9.971 3.724 11.117 124 H LEU 17 H LEU 17 9.427 6.910 8.066 125 HA LEU 17 HA LEU 17 9.349 7.191 5.231 126 HB2 LEU 17 HB3 LEU 17 11.519 8.125 7.016 127 HB3 LEU 17 HB2 LEU 17 11.781 8.096 5.292 128 HG LEU 17 HG LEU 17 11.043 10.247 5.978 129 HD11 LEU 17 HD11 LEU 17 8.794 10.176 4.555 130 HD12 LEU 17 HD12 LEU 17 9.484 8.620 4.125 131 HD13 LEU 17 HD13 LEU 17 10.418 10.094 3.876 132 HD21 LEU 17 HD21 LEU 17 8.291 9.914 6.472 133 HD22 LEU 17 HD22 LEU 17 9.490 10.546 7.604 134 HD23 LEU 17 HD23 LEU 17 9.136 8.819 7.567 135 H GLU 18 H GLU 18 11.724 5.421 7.092 136 HA GLU 18 HA GLU 18 12.943 4.352 4.791 137 HB2 GLU 18 HB3 GLU 18 13.124 3.198 7.584 138 HB3 GLU 18 HB2 GLU 18 14.100 2.695 6.218 139 HG2 GLU 18 HG3 GLU 18 14.920 5.014 5.966 140 HG3 GLU 18 HG2 GLU 18 14.033 5.466 7.401 141 H ASP 19 H ASP 19 10.546 2.958 6.758 142 HA ASP 19 HA ASP 19 10.170 0.532 5.369 143 HB2 ASP 19 HB3 ASP 19 8.094 2.194 6.798 144 HB3 ASP 19 HB2 ASP 19 7.625 0.647 6.042 145 H LEU 20 H LEU 20 8.367 3.467 4.708 146 HA LEU 20 HA LEU 20 7.451 2.644 2.324 147 HB2 LEU 20 HB3 LEU 20 8.076 5.386 3.058 148 HB3 LEU 20 HB2 LEU 20 7.616 5.009 1.407 149 HG LEU 20 HG LEU 20 5.966 4.437 3.838 150 HD11 LEU 20 HD11 LEU 20 4.882 6.246 1.914 151 HD12 LEU 20 HD12 LEU 20 6.518 6.752 2.285 152 HD13 LEU 20 HD13 LEU 20 5.345 6.563 3.586 153 HD21 LEU 20 HD21 LEU 20 4.985 4.376 1.007 154 HD22 LEU 20 HD22 LEU 20 4.396 3.447 2.391 155 HD23 LEU 20 HD23 LEU 20 5.868 2.974 1.586 156 H GLU 21 H GLU 21 10.536 4.057 2.789 157 HA GLU 21 HA GLU 21 11.236 4.209 0.089 158 HB2 GLU 21 HB3 GLU 21 12.977 3.893 2.515 159 HB3 GLU 21 HB2 GLU 21 13.643 3.992 0.887 160 HG2 GLU 21 HG3 GLU 21 11.868 6.049 2.136 161 HG3 GLU 21 HG2 GLU 21 13.629 6.157 2.122 162 H GLN 22 H GLN 22 11.421 1.764 2.313 163 HA GLN 22 HA GLN 22 12.762 -0.077 0.621 164 HB2 GLN 22 HB3 GLN 22 12.801 -0.371 3.047 165 HB3 GLN 22 HB2 GLN 22 11.085 -0.770 3.017 166 HG2 GLN 22 HG3 GLN 22 11.527 -2.705 1.671 167 HG3 GLN 22 HG2 GLN 22 13.244 -2.337 1.644 168 HE21 GLN 22 HE22 GLN 22 10.862 -3.996 3.170 169 HE22 GLN 22 HE21 GLN 22 11.649 -4.356 4.680 170 H LEU 23 H LEU 23 9.246 0.324 1.352 171 HA LEU 23 HA LEU 23 8.377 -1.617 -0.401 172 HB2 LEU 23 HB3 LEU 23 7.177 1.051 0.383 173 HB3 LEU 23 HB2 LEU 23 6.324 -0.247 -0.420 174 HG LEU 23 HG LEU 23 7.464 -0.318 2.339 175 HD11 LEU 23 HD11 LEU 23 4.612 -0.221 1.437 176 HD12 LEU 23 HD12 LEU 23 5.533 1.207 1.922 177 HD13 LEU 23 HD13 LEU 23 5.196 -0.074 3.089 178 HD21 LEU 23 HD21 LEU 23 5.580 -2.315 2.142 179 HD22 LEU 23 HD22 LEU 23 7.336 -2.522 2.081 180 HD23 LEU 23 HD23 LEU 23 6.434 -2.393 0.587 181 H LYS 24 H LYS 24 9.138 1.582 -0.712 182 HA LYS 24 HA LYS 24 8.428 2.034 -3.467 183 HB2 LYS 24 HB3 LYS 24 10.567 3.542 -1.952 184 HB3 LYS 24 HB2 LYS 24 10.033 3.971 -3.566 185 HG2 LYS 24 HG3 LYS 24 8.289 4.061 -1.063 186 HG3 LYS 24 HG2 LYS 24 9.034 5.444 -1.827 187 HD2 LYS 24 HD3 LYS 24 6.726 5.372 -2.403 188 HD3 LYS 24 HD2 LYS 24 7.646 4.959 -3.839 189 HE2 LYS 24 HE3 LYS 24 5.679 3.534 -3.583 190 HE3 LYS 24 HE2 LYS 24 7.173 2.598 -3.451 191 HZ1 LYS 24 HZ1 LYS 24 6.080 1.808 -1.674 192 HZ2 LYS 24 HZ2 LYS 24 5.184 3.221 -1.429 193 HZ3 LYS 24 HZ3 LYS 24 6.799 3.145 -0.923 194 H SER 25 H SER 25 11.152 1.353 -2.170 195 HA SER 25 HA SER 25 13.014 0.844 -4.284 196 HB2 SER 25 HB3 SER 25 13.144 -0.816 -1.716 197 HB3 SER 25 HB2 SER 25 14.413 -0.784 -2.938 198 HG SER 25 HG SER 25 13.444 1.441 -1.475 199 H ALA 26 H ALA 26 11.019 -1.244 -2.765 200 HA ALA 26 HA ALA 26 11.167 -3.407 -4.667 201 HB1 ALA 26 HB1 ALA 26 9.802 -3.074 -2.257 202 HB2 ALA 26 HB2 ALA 26 9.803 -4.529 -3.263 203 HB3 ALA 26 HB3 ALA 26 8.536 -3.314 -3.461 204 H CYS 27 H CYS 27 8.831 -0.700 -4.355 205 HA CYS 27 HA CYS 27 7.388 -1.404 -6.640 206 HB2 CYS 27 HB3 CYS 27 7.645 1.305 -5.426 207 HB3 CYS 27 HB2 CYS 27 6.461 0.674 -6.559 208 HG CYS 27 HG CYS 27 5.035 -0.721 -4.843 209 H LYS 28 H LYS 28 10.506 -0.068 -6.626 210 HA LYS 28 HA LYS 28 10.187 2.150 -8.118 211 HB2 LYS 28 HB3 LYS 28 12.555 0.364 -7.974 212 HB3 LYS 28 HB2 LYS 28 12.593 1.892 -8.888 213 HG2 LYS 28 HG3 LYS 28 11.875 3.043 -6.830 214 HG3 LYS 28 HG2 LYS 28 12.014 1.505 -5.972 215 HD2 LYS 28 HD3 LYS 28 14.144 2.725 -7.542 216 HD3 LYS 28 HD2 LYS 28 14.017 3.087 -5.789 217 HE2 LYS 28 HE3 LYS 28 14.280 0.537 -5.527 218 HE3 LYS 28 HE2 LYS 28 14.658 0.509 -7.243 219 HZ1 LYS 28 HZ1 LYS 28 16.709 0.590 -6.139 220 HZ2 LYS 28 HZ2 LYS 28 16.233 1.800 -5.086 221 HZ3 LYS 28 HZ3 LYS 28 16.504 2.148 -6.702 222 H GLU 29 H GLU 29 10.303 -0.885 -9.326 223 HA GLU 29 HA GLU 29 10.376 -0.032 -12.080 224 HB2 GLU 29 HB3 GLU 29 9.338 -2.706 -11.130 225 HB3 GLU 29 HB2 GLU 29 9.625 -2.246 -12.798 226 HG2 GLU 29 HG3 GLU 29 12.007 -1.845 -12.211 227 HG3 GLU 29 HG2 GLU 29 11.647 -2.515 -10.629 228 H ASP 30 H ASP 30 7.674 -0.741 -9.884 229 HA ASP 30 HA ASP 30 5.823 -0.172 -12.017 230 HB2 ASP 30 HB3 ASP 30 5.306 -1.106 -9.228 231 HB3 ASP 30 HB2 ASP 30 4.033 -0.567 -10.294 232 H ILE 31 H ILE 31 6.637 1.446 -9.009 233 HA ILE 31 HA ILE 31 4.746 3.513 -9.844 234 HB ILE 31 HB ILE 31 4.756 2.570 -7.411 235 HG12 ILE 31 HG13 ILE 31 3.684 4.806 -7.920 236 HG13 ILE 31 HG12 ILE 31 4.270 4.663 -6.278 237 HG21 ILE 31 HG21 ILE 31 7.169 4.299 -7.137 238 HG22 ILE 31 HG22 ILE 31 7.155 2.517 -7.124 239 HG23 ILE 31 HG23 ILE 31 6.337 3.429 -5.858 240 HD11 ILE 31 HD11 ILE 31 5.748 6.288 -6.527 241 HD12 ILE 31 HD12 ILE 31 4.760 6.772 -7.922 242 HD13 ILE 31 HD13 ILE 31 6.174 5.738 -8.169 243 HA PRO 32 HA PRO 32 7.859 5.398 -11.877 244 HB2 PRO 32 HB2 PRO 32 6.612 7.978 -10.983 245 HB3 PRO 32 HB3 PRO 32 7.159 7.500 -12.602 246 HG2 PRO 32 HG3 PRO 32 4.571 7.369 -11.968 247 HG3 PRO 32 HG2 PRO 32 5.332 6.087 -12.927 248 HD2 PRO 32 HD3 PRO 32 4.581 6.105 -10.048 249 HD3 PRO 32 HD2 PRO 32 4.498 4.771 -11.215 250 H SER 33 H SER 33 9.727 5.930 -11.487 251 HA SER 33 HA SER 33 11.074 6.045 -9.029 252 HB2 SER 33 HB3 SER 33 12.320 5.614 -11.159 253 HB3 SER 33 HB2 SER 33 12.144 7.310 -11.599 254 HG SER 33 HG SER 33 14.137 6.284 -10.385 255 H GLU 34 H GLU 34 10.431 8.591 -11.055 256 HA GLU 34 HA GLU 34 10.942 11.055 -9.840 257 HB2 GLU 34 HB3 GLU 34 9.777 10.912 -12.004 258 HB3 GLU 34 HB2 GLU 34 8.335 10.351 -11.185 259 HG2 GLU 34 HG3 GLU 34 8.245 12.554 -9.995 260 HG3 GLU 34 HG2 GLU 34 9.574 13.086 -11.038 261 H LYS 35 H LYS 35 8.247 9.213 -9.435 262 HA LYS 35 HA LYS 35 7.032 10.836 -7.444 263 HB2 LYS 35 HB3 LYS 35 6.094 8.136 -8.370 264 HB3 LYS 35 HB2 LYS 35 5.131 9.289 -7.427 265 HG2 LYS 35 HG3 LYS 35 6.357 9.806 -10.088 266 HG3 LYS 35 HG2 LYS 35 4.622 9.434 -9.817 267 HD2 LYS 35 HD3 LYS 35 4.477 11.360 -8.437 268 HD3 LYS 35 HD2 LYS 35 6.187 11.719 -8.653 269 HE2 LYS 35 HE3 LYS 35 5.713 11.924 -11.109 270 HE3 LYS 35 HE2 LYS 35 3.995 11.876 -10.695 271 HZ1 LYS 35 HZ1 LYS 35 4.117 14.039 -10.100 272 HZ2 LYS 35 HZ2 LYS 35 5.747 14.012 -10.622 273 HZ3 LYS 35 HZ3 LYS 35 5.363 13.661 -9.009 274 H SER 36 H SER 36 8.394 7.621 -7.214 275 HA SER 36 HA SER 36 8.097 7.090 -4.580 276 HB2 SER 36 HB3 SER 36 9.042 5.605 -6.108 277 HB3 SER 36 HB2 SER 36 10.481 6.615 -6.393 278 HG SER 36 HG SER 36 10.910 6.231 -4.075 279 H GLU 37 H GLU 37 10.092 9.265 -5.949 280 HA GLU 37 HA GLU 37 11.811 10.041 -3.716 281 HB2 GLU 37 HB3 GLU 37 11.160 11.734 -6.127 282 HB3 GLU 37 HB2 GLU 37 12.353 12.130 -4.912 283 HG2 GLU 37 HG3 GLU 37 13.618 10.106 -5.487 284 HG3 GLU 37 HG2 GLU 37 12.396 9.712 -6.704 285 H GLU 38 H GLU 38 8.974 11.321 -4.912 286 HA GLU 38 HA GLU 38 8.673 13.320 -2.808 287 HB2 GLU 38 HB3 GLU 38 6.507 14.092 -3.733 288 HB3 GLU 38 HB2 GLU 38 7.837 14.118 -4.870 289 HG2 GLU 38 HG3 GLU 38 7.009 12.117 -5.929 290 HG3 GLU 38 HG2 GLU 38 5.682 12.014 -4.782 291 H ILE 39 H ILE 39 7.858 10.208 -2.791 292 HA ILE 39 HA ILE 39 5.480 10.304 -1.183 293 HB ILE 39 HB ILE 39 7.244 7.979 -1.989 294 HG12 ILE 39 HG13 ILE 39 4.578 8.925 -2.965 295 HG13 ILE 39 HG12 ILE 39 6.106 9.226 -3.787 296 HG21 ILE 39 HG21 ILE 39 5.911 7.529 0.096 297 HG22 ILE 39 HG22 ILE 39 5.514 6.510 -1.282 298 HG23 ILE 39 HG23 ILE 39 4.462 7.871 -0.859 299 HD11 ILE 39 HD11 ILE 39 5.207 6.478 -3.144 300 HD12 ILE 39 HD12 ILE 39 6.314 7.058 -4.410 301 HD13 ILE 39 HD13 ILE 39 4.572 7.374 -4.547 302 H THR 40 H THR 40 6.837 11.740 0.242 303 HA THR 40 HA THR 40 8.343 10.351 2.292 304 HB THR 40 HB THR 40 9.198 12.378 1.562 305 HG1 THR 40 HG1 THR 40 8.511 12.111 4.121 306 HG21 THR 40 HG21 THR 40 7.924 14.568 1.856 307 HG22 THR 40 HG22 THR 40 6.505 13.538 2.122 308 HG23 THR 40 HG23 THR 40 7.368 13.441 0.599 309 H THR 41 H THR 41 5.431 9.847 2.106 310 HA THR 41 HA THR 41 5.060 9.404 4.737 311 HB THR 41 HB THR 41 4.293 11.531 5.089 312 HG1 THR 41 HG1 THR 41 2.096 11.133 5.848 313 HG21 THR 41 HG21 THR 41 3.373 12.781 3.457 314 HG22 THR 41 HG22 THR 41 1.857 11.952 3.817 315 HG23 THR 41 HG23 THR 41 2.932 11.320 2.560 316 H GLY 42 H GLY 42 3.372 8.015 5.228 317 HA2 GLY 42 HA3 GLY 42 3.234 6.036 3.193 318 HA3 GLY 42 HA2 GLY 42 2.252 5.963 4.666 319 H SER 43 H SER 43 0.534 8.130 4.490 320 HA SER 43 HA SER 43 -1.381 7.497 2.827 321 HB2 SER 43 HB3 SER 43 -0.541 10.203 3.884 322 HB3 SER 43 HB2 SER 43 -2.187 9.683 3.498 323 HG SER 43 HG SER 43 -1.116 9.556 5.804 324 H ALA 44 H ALA 44 1.250 9.588 2.361 325 HA ALA 44 HA ALA 44 0.576 10.967 -0.022 326 HB1 ALA 44 HB1 ALA 44 2.673 11.833 -0.077 327 HB2 ALA 44 HB2 ALA 44 3.416 10.232 -0.120 328 HB3 ALA 44 HB3 ALA 44 2.913 10.928 1.415 329 H TRP 45 H TRP 45 2.285 7.878 0.227 330 HA TRP 45 HA TRP 45 2.391 7.344 -2.545 331 HB2 TRP 45 HB3 TRP 45 3.653 6.106 -0.726 332 HB3 TRP 45 HB2 TRP 45 2.120 5.374 -0.285 333 HD1 TRP 45 HD1 TRP 45 3.592 5.726 -3.888 334 HE1 TRP 45 HE1 TRP 45 3.691 3.351 -4.869 335 HE3 TRP 45 HE3 TRP 45 2.097 3.052 0.196 336 HZ2 TRP 45 HZ2 TRP 45 3.271 0.773 -4.064 337 HZ3 TRP 45 HZ3 TRP 45 2.016 0.616 -0.001 338 HH2 TRP 45 HH2 TRP 45 2.602 -0.475 -2.118 339 H PHE 46 H PHE 46 0.072 6.263 -0.192 340 HA PHE 46 HA PHE 46 -1.508 5.004 -2.107 341 HB2 PHE 46 HB3 PHE 46 -2.505 6.379 0.376 342 HB3 PHE 46 HB2 PHE 46 -3.434 5.277 -0.637 343 HD1 PHE 46 HD1 PHE 46 -2.270 3.013 -1.109 344 HD2 PHE 46 HD2 PHE 46 -1.467 5.478 2.301 345 HE1 PHE 46 HE1 PHE 46 -1.575 1.077 0.139 346 HE2 PHE 46 HE2 PHE 46 -0.818 3.502 3.557 347 HZ PHE 46 HZ PHE 46 -0.840 1.268 2.391 348 H SER 47 H SER 47 -1.860 8.057 -0.859 349 HA SER 47 HA SER 47 -3.895 9.065 -2.612 350 HB2 SER 47 HB3 SER 47 -1.841 10.705 -1.166 351 HB3 SER 47 HB2 SER 47 -3.304 11.360 -1.933 352 HG SER 47 HG SER 47 -4.240 9.493 -0.468 353 H PHE 48 H PHE 48 -0.487 8.942 -3.244 354 HA PHE 48 HA PHE 48 -0.587 10.468 -5.680 355 HB2 PHE 48 HB3 PHE 48 1.576 10.011 -4.719 356 HB3 PHE 48 HB2 PHE 48 1.237 8.274 -4.691 357 HD1 PHE 48 HD1 PHE 48 1.301 11.089 -7.195 358 HD2 PHE 48 HD2 PHE 48 2.066 7.005 -6.291 359 HE1 PHE 48 HE1 PHE 48 2.043 10.722 -9.471 360 HE2 PHE 48 HE2 PHE 48 2.843 6.642 -8.570 361 HZ PHE 48 HZ PHE 48 2.822 8.496 -10.179 362 H LEU 49 H LEU 49 -0.487 7.022 -4.822 363 HA LEU 49 HA LEU 49 -0.698 5.893 -7.193 364 HB2 LEU 49 HB3 LEU 49 -0.356 5.228 -4.751 365 HB3 LEU 49 HB2 LEU 49 -2.081 4.840 -4.809 366 HG LEU 49 HG LEU 49 -1.567 3.105 -6.573 367 HD11 LEU 49 HD11 LEU 49 1.304 3.206 -6.111 368 HD12 LEU 49 HD12 LEU 49 0.689 4.679 -6.853 369 HD13 LEU 49 HD13 LEU 49 0.398 3.117 -7.630 370 HD21 LEU 49 HD21 LEU 49 -1.400 1.810 -4.731 371 HD22 LEU 49 HD22 LEU 49 -0.711 3.143 -3.816 372 HD23 LEU 49 HD23 LEU 49 0.337 2.106 -4.792 373 H GLU 50 H GLU 50 -3.201 6.383 -4.912 374 HA GLU 50 HA GLU 50 -5.684 5.823 -6.121 375 HB2 GLU 50 HB3 GLU 50 -5.315 8.336 -4.456 376 HB3 GLU 50 HB2 GLU 50 -6.862 7.621 -4.889 377 HG2 GLU 50 HG3 GLU 50 -6.395 5.724 -3.492 378 HG3 GLU 50 HG2 GLU 50 -4.780 6.344 -3.119 379 H SER 51 H SER 51 -4.095 8.545 -6.207 380 HA SER 51 HA SER 51 -5.594 10.235 -7.986 381 HB2 SER 51 HB3 SER 51 -2.574 10.430 -7.794 382 HB3 SER 51 HB2 SER 51 -3.600 11.613 -8.605 383 HG SER 51 HG SER 51 -3.595 10.913 -5.859 384 H HIS 52 H HIS 52 -3.314 7.697 -8.716 385 HA HIS 52 HA HIS 52 -3.992 7.985 -11.567 386 HB2 HIS 52 HB3 HIS 52 -1.657 6.603 -10.320 387 HB3 HIS 52 HB2 HIS 52 -1.972 6.463 -12.077 388 HD1 HIS 52 HD1 HIS 52 0.393 7.596 -12.584 389 HD2 HIS 52 HD2 HIS 52 -2.032 9.561 -9.933 390 HE1 HIS 52 HE1 HIS 52 1.538 9.781 -12.245 391 H ASN 53 H ASN 53 -3.576 5.482 -12.531 392 HA ASN 53 HA ASN 53 -5.815 4.124 -11.295 393 HB2 ASN 53 HB3 ASN 53 -4.564 3.674 -14.009 394 HB3 ASN 53 HB2 ASN 53 -5.835 2.657 -13.348 395 HD21 ASN 53 HD22 ASN 53 -5.352 5.065 -15.465 396 HD22 ASN 53 HD21 ASN 53 -6.857 5.888 -15.328 397 H LYS 54 H LYS 54 -3.563 3.905 -9.767 398 HA LYS 54 HA LYS 54 -2.755 1.310 -10.335 399 HB2 LYS 54 HB3 LYS 54 -1.484 3.188 -8.376 400 HB3 LYS 54 HB2 LYS 54 -1.071 1.472 -8.513 401 HG2 LYS 54 HG3 LYS 54 -1.019 3.395 -10.806 402 HG3 LYS 54 HG2 LYS 54 0.399 2.898 -9.847 403 HD2 LYS 54 HD3 LYS 54 0.186 0.644 -10.524 404 HD3 LYS 54 HD2 LYS 54 -1.456 0.945 -11.102 405 HE2 LYS 54 HE3 LYS 54 -0.955 2.081 -12.545 406 HE3 LYS 54 HE2 LYS 54 0.812 2.379 -12.287 407 HZ1 LYS 54 HZ1 LYS 54 0.686 -0.312 -12.607 408 HZ2 LYS 54 HZ2 LYS 54 0.857 0.678 -13.960 409 HZ3 LYS 54 HZ3 LYS 54 -0.675 0.110 -13.531 410 H LEU 55 H LEU 55 -4.782 3.000 -8.240 411 HA LEU 55 HA LEU 55 -5.417 0.587 -6.795 412 HB2 LEU 55 HB3 LEU 55 -3.433 1.228 -5.595 413 HB3 LEU 55 HB2 LEU 55 -4.013 2.853 -5.374 414 HG LEU 55 HG LEU 55 -5.381 0.507 -4.053 415 HD11 LEU 55 HD11 LEU 55 -3.895 1.974 -2.151 416 HD12 LEU 55 HD12 LEU 55 -2.768 1.744 -3.478 417 HD13 LEU 55 HD13 LEU 55 -3.501 0.348 -2.678 418 HD21 LEU 55 HD21 LEU 55 -6.662 2.559 -3.963 419 HD22 LEU 55 HD22 LEU 55 -5.271 3.474 -3.396 420 HD23 LEU 55 HD23 LEU 55 -5.983 2.260 -2.354 421 H ASP 56 H ASP 56 -7.282 0.606 -7.080 422 HA ASP 56 HA ASP 56 -9.164 2.723 -6.740 423 HB2 ASP 56 HB3 ASP 56 -9.582 -0.234 -7.118 424 HB3 ASP 56 HB2 ASP 56 -10.872 0.967 -7.066 425 H LYS 57 H LYS 57 -11.098 2.100 -5.446 426 HA LYS 57 HA LYS 57 -10.379 1.911 -2.740 427 HB2 LYS 57 HB3 LYS 57 -12.849 1.790 -2.286 428 HB3 LYS 57 HB2 LYS 57 -12.265 3.226 -3.128 429 HG2 LYS 57 HG3 LYS 57 -14.370 2.498 -4.087 430 HG3 LYS 57 HG2 LYS 57 -13.000 2.291 -5.205 431 HD2 LYS 57 HD3 LYS 57 -12.858 -0.002 -4.689 432 HD3 LYS 57 HD2 LYS 57 -14.152 0.117 -3.497 433 HE2 LYS 57 HE3 LYS 57 -14.492 0.601 -6.473 434 HE3 LYS 57 HE2 LYS 57 -14.930 -0.894 -5.641 435 HZ1 LYS 57 HZ1 LYS 57 -16.895 0.019 -5.394 436 HZ2 LYS 57 HZ2 LYS 57 -16.390 1.550 -5.857 437 HZ3 LYS 57 HZ3 LYS 57 -16.250 1.069 -4.244 438 H ASP 58 H ASP 58 -11.206 -0.539 -5.052 439 HA ASP 58 HA ASP 58 -11.455 -2.470 -2.942 440 HB2 ASP 58 HB3 ASP 58 -12.531 -3.939 -4.612 441 HB3 ASP 58 HB2 ASP 58 -13.364 -2.404 -4.443 442 H ASN 59 H ASN 59 -9.660 -1.567 -5.633 443 HA ASN 59 HA ASN 59 -8.187 -4.045 -5.687 444 HB2 ASN 59 HB3 ASN 59 -7.899 -1.554 -7.323 445 HB3 ASN 59 HB2 ASN 59 -6.850 -2.971 -7.508 446 HD21 ASN 59 HD22 ASN 59 -9.789 -1.586 -8.209 447 HD22 ASN 59 HD21 ASN 59 -10.584 -2.924 -8.943 448 H LEU 60 H LEU 60 -6.578 -4.524 -4.909 449 HA LEU 60 HA LEU 60 -4.829 -2.633 -3.496 450 HB2 LEU 60 HB3 LEU 60 -4.748 -4.004 -1.494 451 HB3 LEU 60 HB2 LEU 60 -6.389 -3.542 -1.849 452 HG LEU 60 HG LEU 60 -5.191 -6.282 -2.299 453 HD11 LEU 60 HD11 LEU 60 -5.686 -6.747 -0.227 454 HD12 LEU 60 HD12 LEU 60 -7.362 -6.210 -0.438 455 HD13 LEU 60 HD13 LEU 60 -6.116 -5.062 0.038 456 HD21 LEU 60 HD21 LEU 60 -6.965 -6.787 -3.525 457 HD22 LEU 60 HD22 LEU 60 -7.485 -5.103 -3.438 458 HD23 LEU 60 HD23 LEU 60 -8.049 -6.275 -2.218 459 H SER 61 H SER 61 -5.104 -5.483 -5.099 460 HA SER 61 HA SER 61 -3.019 -7.067 -4.406 461 HB2 SER 61 HB3 SER 61 -4.624 -7.872 -6.034 462 HB3 SER 61 HB2 SER 61 -3.945 -6.845 -7.290 463 HG SER 61 HG SER 61 -2.741 -9.025 -5.958 464 H TYR 62 H TYR 62 -2.644 -4.381 -6.389 465 HA TYR 62 HA TYR 62 0.138 -4.745 -7.082 466 HB2 TYR 62 HB3 TYR 62 -0.862 -3.051 -8.363 467 HB3 TYR 62 HB2 TYR 62 -1.526 -2.224 -6.967 468 HD1 TYR 62 HD1 TYR 62 1.943 -3.427 -7.461 469 HD2 TYR 62 HD2 TYR 62 -0.616 -0.100 -7.106 470 HE1 TYR 62 HE1 TYR 62 3.930 -1.967 -7.246 471 HE2 TYR 62 HE2 TYR 62 1.351 1.406 -6.944 472 HH TYR 62 HH TYR 62 4.359 0.543 -7.814 473 H ILE 63 H ILE 63 -1.363 -3.046 -4.396 474 HA ILE 63 HA ILE 63 1.174 -2.417 -3.214 475 HB ILE 63 HB ILE 63 -0.011 -1.205 -1.582 476 HG12 ILE 63 HG13 ILE 63 -2.594 -2.584 -2.309 477 HG13 ILE 63 HG12 ILE 63 -1.585 -3.185 -0.997 478 HG21 ILE 63 HG21 ILE 63 -0.196 -0.423 -3.868 479 HG22 ILE 63 HG22 ILE 63 -1.467 0.098 -2.721 480 HG23 ILE 63 HG23 ILE 63 -1.794 -1.192 -3.893 481 HD11 ILE 63 HD11 ILE 63 -2.895 -1.809 0.194 482 HD12 ILE 63 HD12 ILE 63 -3.166 -0.709 -1.197 483 HD13 ILE 63 HD13 ILE 63 -1.605 -0.726 -0.328 484 H GLU 64 H GLU 64 -1.062 -4.934 -3.139 485 HA GLU 64 HA GLU 64 -0.444 -6.198 -0.589 486 HB2 GLU 64 HB3 GLU 64 -2.526 -6.774 -1.866 487 HB3 GLU 64 HB2 GLU 64 -1.540 -7.389 -3.174 488 HG2 GLU 64 HG3 GLU 64 -0.742 -9.188 -1.630 489 HG3 GLU 64 HG2 GLU 64 -1.814 -8.545 -0.404 490 H HIS 65 H HIS 65 0.614 -6.873 -3.922 491 HA HIS 65 HA HIS 65 2.838 -8.526 -3.463 492 HB2 HIS 65 HB3 HIS 65 1.798 -7.758 -5.647 493 HB3 HIS 65 HB2 HIS 65 2.420 -6.166 -5.299 494 HD1 HIS 65 HD1 HIS 65 3.769 -9.641 -5.947 495 HD2 HIS 65 HD2 HIS 65 4.723 -5.649 -6.439 496 HE1 HIS 65 HE1 HIS 65 5.990 -9.654 -7.142 497 H ILE 66 H ILE 66 2.965 -5.161 -3.723 498 HA ILE 66 HA ILE 66 5.478 -4.747 -3.108 499 HB ILE 66 HB ILE 66 3.308 -3.065 -1.968 500 HG12 ILE 66 HG13 ILE 66 3.143 -3.507 -4.166 501 HG13 ILE 66 HG12 ILE 66 3.514 -1.771 -4.125 502 HG21 ILE 66 HG21 ILE 66 5.198 -2.248 -0.775 503 HG22 ILE 66 HG22 ILE 66 5.101 -1.154 -2.112 504 HG23 ILE 66 HG23 ILE 66 6.282 -2.430 -2.141 505 HD11 ILE 66 HD11 ILE 66 4.557 -3.739 -5.664 506 HD12 ILE 66 HD12 ILE 66 5.827 -3.491 -4.445 507 HD13 ILE 66 HD13 ILE 66 5.242 -2.133 -5.444 508 H PHE 67 H PHE 67 2.931 -5.060 -0.489 509 HA PHE 67 HA PHE 67 4.849 -4.841 1.377 510 HB2 PHE 67 HB3 PHE 67 2.111 -6.041 1.577 511 HB3 PHE 67 HB2 PHE 67 3.147 -5.590 2.928 512 HD1 PHE 67 HD2 PHE 67 4.010 -3.076 2.825 513 HD2 PHE 67 HD1 PHE 67 0.585 -4.598 0.895 514 HE1 PHE 67 HE2 PHE 67 3.151 -0.785 2.582 515 HE2 PHE 67 HE1 PHE 67 -0.289 -2.336 0.632 516 HZ PHE 67 HZ PHE 67 0.979 -0.419 1.473 517 H GLU 68 H GLU 68 3.922 -7.711 -0.612 518 HA GLU 68 HA GLU 68 4.904 -9.643 1.273 519 HB2 GLU 68 HB3 GLU 68 3.221 -10.121 -0.529 520 HB3 GLU 68 HB2 GLU 68 4.446 -9.709 -1.721 521 HG2 GLU 68 HG3 GLU 68 4.365 -12.048 -1.577 522 HG3 GLU 68 HG2 GLU 68 5.838 -11.456 -0.744 523 H ILE 69 H ILE 69 6.039 -8.259 -1.766 524 HA ILE 69 HA ILE 69 8.429 -9.489 -1.654 525 HB ILE 69 HB ILE 69 9.249 -7.980 -3.356 526 HG12 ILE 69 HG13 ILE 69 6.648 -6.531 -2.918 527 HG13 ILE 69 HG12 ILE 69 8.264 -5.892 -2.612 528 HG21 ILE 69 HG21 ILE 69 7.910 -8.906 -4.962 529 HG22 ILE 69 HG22 ILE 69 6.437 -8.569 -4.074 530 HG23 ILE 69 HG23 ILE 69 7.477 -9.914 -3.574 531 HD11 ILE 69 HD11 ILE 69 8.107 -6.957 -5.177 532 HD12 ILE 69 HD12 ILE 69 8.497 -5.290 -4.731 533 HD13 ILE 69 HD13 ILE 69 6.792 -5.777 -4.973 534 H SER 70 H SER 70 7.627 -6.444 -0.256 535 HA SER 70 HA SER 70 10.361 -5.838 0.487 536 HB2 SER 70 HB3 SER 70 8.818 -4.014 -0.085 537 HB3 SER 70 HB2 SER 70 7.734 -4.510 1.215 538 HG SER 70 HG SER 70 8.931 -2.912 2.063 539 H ARG 71 H ARG 71 11.132 -5.981 2.604 540 HA ARG 71 HA ARG 71 9.969 -8.034 4.126 541 HB2 ARG 71 HB3 ARG 71 12.427 -6.416 4.692 542 HB3 ARG 71 HB2 ARG 71 11.852 -7.744 5.710 543 HG2 ARG 71 HG3 ARG 71 12.524 -7.971 2.823 544 HG3 ARG 71 HG2 ARG 71 13.589 -8.478 4.170 545 HD2 ARG 71 HD3 ARG 71 10.830 -9.509 3.494 546 HD3 ARG 71 HD2 ARG 71 12.337 -10.360 3.154 547 HE ARG 71 HE ARG 71 12.159 -9.774 5.915 548 HH11 ARG 71 HH11 ARG 71 10.834 -12.010 3.476 549 HH12 ARG 71 HH12 ARG 71 10.300 -13.152 4.622 550 HH21 ARG 71 HH22 ARG 71 11.461 -11.320 7.457 551 HH22 ARG 71 HH21 ARG 71 10.676 -12.772 6.964 552 H ARG 72 H ARG 72 8.093 -6.773 4.266 553 HA ARG 72 HA ARG 72 7.712 -5.832 6.938 554 HB2 ARG 72 HB3 ARG 72 7.291 -4.059 4.628 555 HB3 ARG 72 HB2 ARG 72 5.998 -4.066 5.796 556 HG2 ARG 72 HG3 ARG 72 8.879 -3.478 6.377 557 HG3 ARG 72 HG2 ARG 72 7.580 -2.287 6.235 558 HD2 ARG 72 HD3 ARG 72 6.348 -3.515 8.062 559 HD3 ARG 72 HD2 ARG 72 7.801 -4.477 8.320 560 HE ARG 72 HE ARG 72 8.457 -1.796 8.294 561 HH11 ARG 72 HH11 ARG 72 6.790 -4.044 10.630 562 HH12 ARG 72 HH12 ARG 72 7.128 -3.020 11.921 563 HH21 ARG 72 HH22 ARG 72 8.744 -0.483 10.068 564 HH22 ARG 72 HH21 ARG 72 8.263 -0.935 11.660 565 HA PRO 73 HA PRO 73 4.525 -8.829 5.308 566 HB2 PRO 73 HB2 PRO 73 5.208 -10.138 7.868 567 HB3 PRO 73 HB3 PRO 73 4.972 -10.850 6.266 568 HG2 PRO 73 HG3 PRO 73 7.393 -10.594 7.337 569 HG3 PRO 73 HG2 PRO 73 7.127 -10.324 5.600 570 HD2 PRO 73 HD3 PRO 73 7.473 -8.323 7.797 571 HD3 PRO 73 HD2 PRO 73 8.123 -8.312 6.141 572 H ASP 74 H ASP 74 5.035 -6.863 8.054 573 HA ASP 74 HA ASP 74 2.692 -7.490 9.644 574 HB2 ASP 74 HB3 ASP 74 4.161 -4.843 9.451 575 HB3 ASP 74 HB2 ASP 74 3.057 -5.322 10.713 576 H LEU 75 H LEU 75 3.572 -5.171 7.440 577 HA LEU 75 HA LEU 75 1.083 -3.797 7.166 578 HB2 LEU 75 HB3 LEU 75 3.442 -3.829 5.274 579 HB3 LEU 75 HB2 LEU 75 2.030 -2.837 5.019 580 HG LEU 75 HG LEU 75 2.560 -1.489 7.039 581 HD11 LEU 75 HD11 LEU 75 4.968 -1.926 7.931 582 HD12 LEU 75 HD12 LEU 75 4.546 -3.607 7.527 583 HD13 LEU 75 HD13 LEU 75 3.539 -2.678 8.633 584 HD21 LEU 75 HD21 LEU 75 4.085 -1.676 4.678 585 HD22 LEU 75 HD22 LEU 75 5.181 -1.343 6.018 586 HD23 LEU 75 HD23 LEU 75 3.821 -0.271 5.714 587 H LEU 76 H LEU 76 2.657 -6.070 5.223 588 HA LEU 76 HA LEU 76 0.768 -6.739 3.203 589 HB2 LEU 76 HB3 LEU 76 2.895 -8.050 3.428 590 HB3 LEU 76 HB2 LEU 76 2.067 -8.967 4.723 591 HG LEU 76 HG LEU 76 0.293 -9.326 2.963 592 HD11 LEU 76 HD11 LEU 76 1.028 -9.601 0.728 593 HD12 LEU 76 HD12 LEU 76 2.439 -8.628 1.151 594 HD13 LEU 76 HD13 LEU 76 0.813 -7.955 1.318 595 HD21 LEU 76 HD21 LEU 76 2.639 -10.832 3.643 596 HD22 LEU 76 HD22 LEU 76 2.079 -11.201 1.993 597 HD23 LEU 76 HD23 LEU 76 0.961 -11.339 3.372 598 H THR 77 H THR 77 1.087 -8.241 6.195 599 HA THR 77 HA THR 77 -1.103 -9.842 6.503 600 HB THR 77 HB THR 77 0.223 -8.157 8.538 601 HG1 THR 77 HG1 THR 77 1.672 -9.664 7.853 602 HG21 THR 77 HG21 THR 77 -1.929 -10.094 8.767 603 HG22 THR 77 HG22 THR 77 -1.591 -8.579 9.620 604 HG23 THR 77 HG23 THR 77 -0.685 -10.082 10.056 605 H MET 78 H MET 78 -0.911 -6.483 7.274 606 HA MET 78 HA MET 78 -3.567 -6.134 8.142 607 HB2 MET 78 HB3 MET 78 -1.676 -4.116 6.958 608 HB3 MET 78 HB2 MET 78 -3.239 -3.704 7.642 609 HG2 MET 78 HG3 MET 78 -1.112 -5.179 9.071 610 HG3 MET 78 HG2 MET 78 -1.305 -3.410 9.194 611 HE1 MET 78 HE1 MET 78 -1.616 -3.484 11.887 612 HE2 MET 78 HE2 MET 78 -1.103 -5.162 11.687 613 HE3 MET 78 HE3 MET 78 -2.513 -4.795 12.664 614 H VAL 79 H VAL 79 -2.141 -6.035 4.915 615 HA VAL 79 HA VAL 79 -4.484 -5.160 3.560 616 HB VAL 79 HB VAL 79 -2.042 -6.680 2.574 617 HG11 VAL 79 HG11 VAL 79 -3.068 -6.778 0.641 618 HG12 VAL 79 HG12 VAL 79 -2.926 -5.022 0.532 619 HG13 VAL 79 HG13 VAL 79 -4.396 -5.767 1.190 620 HG21 VAL 79 HG21 VAL 79 -1.683 -4.482 3.788 621 HG22 VAL 79 HG22 VAL 79 -2.389 -3.699 2.364 622 HG23 VAL 79 HG23 VAL 79 -0.930 -4.678 2.208 623 H VAL 80 H VAL 80 -2.849 -8.285 4.014 624 HA VAL 80 HA VAL 80 -4.661 -9.993 2.802 625 HB VAL 80 HB VAL 80 -2.878 -10.528 5.239 626 HG11 VAL 80 HG11 VAL 80 -4.670 -12.189 5.010 627 HG12 VAL 80 HG12 VAL 80 -3.058 -12.860 4.755 628 HG13 VAL 80 HG13 VAL 80 -4.118 -12.554 3.372 629 HG21 VAL 80 HG21 VAL 80 -1.841 -11.750 2.918 630 HG22 VAL 80 HG22 VAL 80 -1.191 -10.383 3.816 631 HG23 VAL 80 HG23 VAL 80 -2.279 -10.092 2.473 632 H ASP 81 H ASP 81 -4.417 -9.276 5.992 633 HA ASP 81 HA ASP 81 -6.837 -10.370 6.870 634 HB2 ASP 81 HB3 ASP 81 -5.244 -8.412 8.496 635 HB3 ASP 81 HB2 ASP 81 -6.859 -8.854 9.031 636 H TYR 82 H TYR 82 -6.332 -7.229 5.805 637 HA TYR 82 HA TYR 82 -8.889 -6.038 6.164 638 HB2 TYR 82 HB3 TYR 82 -7.134 -4.736 5.233 639 HB3 TYR 82 HB2 TYR 82 -6.984 -5.838 3.862 640 HD1 TYR 82 HD2 TYR 82 -9.539 -3.664 5.493 641 HD2 TYR 82 HD1 TYR 82 -7.924 -5.342 1.972 642 HE1 TYR 82 HE2 TYR 82 -11.082 -2.327 4.177 643 HE2 TYR 82 HE1 TYR 82 -9.450 -4.042 0.603 644 HH TYR 82 HH TYR 82 -11.034 -2.415 0.623 645 H ARG 83 H ARG 83 -7.612 -7.933 3.465 646 HA ARG 83 HA ARG 83 -9.880 -8.002 1.908 647 HB2 ARG 83 HB3 ARG 83 -7.768 -8.339 1.002 648 HB3 ARG 83 HB2 ARG 83 -7.366 -9.552 2.178 649 HG2 ARG 83 HG3 ARG 83 -9.525 -10.184 0.348 650 HG3 ARG 83 HG2 ARG 83 -7.877 -10.124 -0.365 651 HD2 ARG 83 HD3 ARG 83 -7.334 -11.689 1.638 652 HD3 ARG 83 HD2 ARG 83 -9.069 -11.929 1.767 653 HE ARG 83 HE ARG 83 -8.955 -13.289 -0.018 654 HH11 ARG 83 HH11 ARG 83 -6.040 -11.104 -0.214 655 HH12 ARG 83 HH12 ARG 83 -5.499 -11.630 -1.693 656 HH21 ARG 83 HH22 ARG 83 -8.152 -14.070 -2.176 657 HH22 ARG 83 HH21 ARG 83 -6.774 -13.431 -2.865 658 H THR 84 H THR 84 -8.733 -10.196 4.075 659 HA THR 84 HA THR 84 -10.911 -12.042 3.982 660 HB THR 84 HB THR 84 -9.058 -11.519 6.269 661 HG1 THR 84 HG1 THR 84 -8.836 -13.469 4.148 662 HG21 THR 84 HG21 THR 84 -9.532 -13.762 6.888 663 HG22 THR 84 HG22 THR 84 -10.598 -13.875 5.442 664 HG23 THR 84 HG23 THR 84 -10.991 -12.718 6.756 665 H ARG 85 H ARG 85 -10.213 -10.013 6.396 666 HA ARG 85 HA ARG 85 -12.375 -9.995 8.034 667 HB2 ARG 85 HB3 ARG 85 -11.936 -7.843 9.181 668 HB3 ARG 85 HB2 ARG 85 -10.437 -8.663 8.837 669 HG2 ARG 85 HG3 ARG 85 -10.124 -7.119 6.875 670 HG3 ARG 85 HG2 ARG 85 -11.570 -6.258 7.392 671 HD2 ARG 85 HD3 ARG 85 -10.595 -5.828 9.507 672 HD3 ARG 85 HD2 ARG 85 -9.133 -6.733 9.051 673 HE ARG 85 HE ARG 85 -9.591 -4.595 7.207 674 HH11 ARG 85 HH11 ARG 85 -8.348 -5.143 10.493 675 HH12 ARG 85 HH12 ARG 85 -7.498 -3.678 10.576 676 HH21 ARG 85 HH22 ARG 85 -8.267 -2.480 7.351 677 HH22 ARG 85 HH21 ARG 85 -7.396 -2.204 8.786 678 H VAL 86 H VAL 86 -11.947 -7.783 5.712 679 HA VAL 86 HA VAL 86 -14.473 -6.638 5.782 680 HB VAL 86 HB VAL 86 -12.509 -6.507 3.517 681 HG11 VAL 86 HG11 VAL 86 -14.126 -4.328 3.084 682 HG12 VAL 86 HG12 VAL 86 -15.328 -5.503 3.636 683 HG13 VAL 86 HG13 VAL 86 -14.328 -5.845 2.205 684 HG21 VAL 86 HG21 VAL 86 -12.783 -4.013 4.491 685 HG22 VAL 86 HG22 VAL 86 -11.634 -5.197 5.094 686 HG23 VAL 86 HG23 VAL 86 -13.190 -4.956 5.917 687 H LEU 87 H LEU 87 -13.260 -9.360 3.996 688 HA LEU 87 HA LEU 87 -15.375 -10.043 2.270 689 HB2 LEU 87 HB3 LEU 87 -13.013 -10.874 2.388 690 HB3 LEU 87 HB2 LEU 87 -13.402 -11.662 3.890 691 HG LEU 87 HG LEU 87 -13.092 -13.266 2.194 692 HD11 LEU 87 HD11 LEU 87 -14.549 -14.224 3.453 693 HD12 LEU 87 HD12 LEU 87 -15.461 -14.237 1.925 694 HD13 LEU 87 HD13 LEU 87 -15.808 -13.008 3.180 695 HD21 LEU 87 HD21 LEU 87 -13.260 -12.498 0.165 696 HD22 LEU 87 HD22 LEU 87 -14.581 -11.405 0.545 697 HD23 LEU 87 HD23 LEU 87 -14.927 -13.124 0.219 698 H LYS 88 H LYS 88 -14.498 -10.920 5.539 699 HA LYS 88 HA LYS 88 -16.633 -12.516 6.290 700 HB2 LYS 88 HB3 LYS 88 -14.518 -12.354 7.583 701 HB3 LYS 88 HB2 LYS 88 -14.976 -10.737 8.091 702 HG2 LYS 88 HG3 LYS 88 -15.334 -12.290 9.915 703 HG3 LYS 88 HG2 LYS 88 -16.884 -11.691 9.339 704 HD2 LYS 88 HD3 LYS 88 -17.203 -13.754 8.056 705 HD3 LYS 88 HD2 LYS 88 -15.647 -14.360 8.628 706 HE2 LYS 88 HE3 LYS 88 -18.079 -13.730 10.323 707 HE3 LYS 88 HE2 LYS 88 -17.466 -15.325 9.929 708 HZ1 LYS 88 HZ1 LYS 88 -15.556 -14.992 11.329 709 HZ2 LYS 88 HZ2 LYS 88 -16.882 -14.404 12.189 710 HZ3 LYS 88 HZ3 LYS 88 -15.813 -13.348 11.430 711 H ILE 89 H ILE 89 -16.292 -9.007 6.492 712 HA ILE 89 HA ILE 89 -18.633 -8.533 8.015 713 HB ILE 89 HB ILE 89 -16.837 -6.846 6.312 714 HG12 ILE 89 HG13 ILE 89 -17.006 -7.060 9.321 715 HG13 ILE 89 HG12 ILE 89 -15.736 -7.739 8.302 716 HG21 ILE 89 HG21 ILE 89 -18.733 -5.761 6.234 717 HG22 ILE 89 HG22 ILE 89 -17.843 -4.924 7.531 718 HG23 ILE 89 HG23 ILE 89 -19.185 -6.052 7.925 719 HD11 ILE 89 HD11 ILE 89 -14.710 -5.811 9.033 720 HD12 ILE 89 HD12 ILE 89 -16.227 -4.917 9.086 721 HD13 ILE 89 HD13 ILE 89 -15.450 -5.233 7.540 722 H SER 90 H SER 90 -17.678 -7.914 4.644 723 HA SER 90 HA SER 90 -20.412 -7.374 3.890 724 HB2 SER 90 HB3 SER 90 -17.859 -7.313 2.279 725 HB3 SER 90 HB2 SER 90 -19.438 -6.705 1.758 726 HG SER 90 HG SER 90 -19.007 -5.671 4.108 Start of MODEL 4 1 H1 MET 1 H MET 1 -15.927 1.368 0.130 2 H2 MET 1 H2 MET 1 -15.291 0.411 1.331 3 H3 MET 1 H3 MET 1 -16.148 1.810 1.744 4 HA MET 1 HA MET 1 -13.482 1.546 0.451 5 HB2 MET 1 HB3 MET 1 -15.003 4.141 0.789 6 HB3 MET 1 HB2 MET 1 -13.342 3.993 0.273 7 HG2 MET 1 HG3 MET 1 -14.114 2.806 -1.741 8 HG3 MET 1 HG2 MET 1 -15.784 3.099 -1.242 9 HE1 MET 1 HE1 MET 1 -16.271 5.465 -0.213 10 HE2 MET 1 HE2 MET 1 -16.501 6.620 -1.529 11 HE3 MET 1 HE3 MET 1 -15.162 6.813 -0.405 12 H ALA 2 H ALA 2 -15.287 2.673 3.051 13 HA ALA 2 HA ALA 2 -13.210 4.118 4.265 14 HB1 ALA 2 HB1 ALA 2 -14.900 3.086 6.389 15 HB2 ALA 2 HB2 ALA 2 -15.860 3.655 5.035 16 HB3 ALA 2 HB3 ALA 2 -14.714 4.743 5.821 17 H GLU 3 H GLU 3 -14.104 1.022 5.506 18 HA GLU 3 HA GLU 3 -11.876 0.902 7.045 19 HB2 GLU 3 HB3 GLU 3 -12.867 -1.703 5.845 20 HB3 GLU 3 HB2 GLU 3 -11.812 -1.537 7.256 21 HG2 GLU 3 HG3 GLU 3 -13.729 -0.147 8.241 22 HG3 GLU 3 HG2 GLU 3 -14.669 -0.862 6.911 23 H TYR 4 H TYR 4 -12.002 0.256 3.932 24 HA TYR 4 HA TYR 4 -9.357 -0.636 3.373 25 HB2 TYR 4 HB3 TYR 4 -10.873 -0.580 1.439 26 HB3 TYR 4 HB2 TYR 4 -10.799 1.209 1.386 27 HD1 TYR 4 HD1 TYR 4 -8.395 -1.624 1.640 28 HD2 TYR 4 HD2 TYR 4 -9.536 1.832 -0.647 29 HE1 TYR 4 HE1 TYR 4 -6.497 -1.982 0.163 30 HE2 TYR 4 HE2 TYR 4 -7.606 1.471 -2.093 31 HH TYR 4 HH TYR 4 -6.090 -0.620 -2.767 32 H GLY 5 H GLY 5 -10.757 2.476 3.449 33 HA2 GLY 5 HA3 GLY 5 -8.602 4.309 3.197 34 HA3 GLY 5 HA2 GLY 5 -10.003 4.667 4.201 35 H THR 6 H THR 6 -9.765 2.873 6.321 36 HA THR 6 HA THR 6 -7.606 3.850 7.878 37 HB THR 6 HB THR 6 -9.367 1.470 8.237 38 HG1 THR 6 HG1 THR 6 -9.730 4.248 8.881 39 HG21 THR 6 HG21 THR 6 -8.988 1.877 10.596 40 HG22 THR 6 HG22 THR 6 -8.043 3.325 10.167 41 HG23 THR 6 HG23 THR 6 -7.455 1.720 9.694 42 H LEU 7 H LEU 7 -8.278 0.886 6.344 43 HA LEU 7 HA LEU 7 -6.096 -0.783 6.903 44 HB2 LEU 7 HB3 LEU 7 -7.885 -1.478 5.521 45 HB3 LEU 7 HB2 LEU 7 -7.435 -0.345 4.284 46 HG LEU 7 HG LEU 7 -7.096 -2.777 4.083 47 HD11 LEU 7 HD11 LEU 7 -5.081 -2.444 2.606 48 HD12 LEU 7 HD12 LEU 7 -4.824 -0.875 3.399 49 HD13 LEU 7 HD13 LEU 7 -6.303 -1.173 2.451 50 HD21 LEU 7 HD21 LEU 7 -4.859 -3.623 4.698 51 HD22 LEU 7 HD22 LEU 7 -5.896 -3.242 6.075 52 HD23 LEU 7 HD23 LEU 7 -4.620 -2.130 5.608 53 H LEU 8 H LEU 8 -6.111 1.331 4.376 54 HA LEU 8 HA LEU 8 -3.305 1.432 3.679 55 HB2 LEU 8 HB3 LEU 8 -5.261 3.710 3.370 56 HB3 LEU 8 HB2 LEU 8 -3.569 3.790 2.918 57 HG LEU 8 HG LEU 8 -3.849 2.250 1.129 58 HD11 LEU 8 HD11 LEU 8 -5.450 0.757 2.339 59 HD12 LEU 8 HD12 LEU 8 -5.801 1.033 0.643 60 HD13 LEU 8 HD13 LEU 8 -6.727 1.872 1.883 61 HD21 LEU 8 HD21 LEU 8 -4.518 4.513 0.671 62 HD22 LEU 8 HD22 LEU 8 -6.176 4.161 1.163 63 HD23 LEU 8 HD23 LEU 8 -5.497 3.389 -0.270 64 H GLN 9 H GLN 9 -5.098 3.237 5.972 65 HA GLN 9 HA GLN 9 -3.024 4.881 6.930 66 HB2 GLN 9 HB3 GLN 9 -5.128 5.792 6.879 67 HB3 GLN 9 HB2 GLN 9 -5.853 4.340 7.556 68 HG2 GLN 9 HG3 GLN 9 -5.354 4.714 9.433 69 HG3 GLN 9 HG2 GLN 9 -3.960 5.870 9.237 70 HE21 GLN 9 HE22 GLN 9 -4.596 8.026 9.163 71 HE22 GLN 9 HE21 GLN 9 -6.197 8.590 9.409 72 H ASP 10 H ASP 10 -4.009 1.955 7.705 73 HA ASP 10 HA ASP 10 -2.898 1.807 10.419 74 HB2 ASP 10 HB3 ASP 10 -4.268 -0.493 9.088 75 HB3 ASP 10 HB2 ASP 10 -3.196 -0.735 10.463 76 H LEU 11 H LEU 11 -1.935 0.800 7.236 77 HA LEU 11 HA LEU 11 0.422 -0.322 8.303 78 HB2 LEU 11 HB3 LEU 11 1.062 -0.725 6.045 79 HB3 LEU 11 HB2 LEU 11 -0.511 -1.464 6.378 80 HG LEU 11 HG LEU 11 -1.340 0.701 5.208 81 HD11 LEU 11 HD11 LEU 11 1.352 1.106 5.155 82 HD12 LEU 11 HD12 LEU 11 0.138 1.989 4.227 83 HD13 LEU 11 HD13 LEU 11 0.998 0.625 3.496 84 HD21 LEU 11 HD21 LEU 11 -0.327 -0.904 3.060 85 HD22 LEU 11 HD22 LEU 11 -1.960 -0.819 3.707 86 HD23 LEU 11 HD23 LEU 11 -0.813 -1.958 4.395 87 H THR 12 H THR 12 -0.801 2.517 7.103 88 HA THR 12 HA THR 12 1.544 4.074 6.649 89 HB THR 12 HB THR 12 -1.327 4.726 7.164 90 HG1 THR 12 HG1 THR 12 -1.039 3.961 5.184 91 HG21 THR 12 HG21 THR 12 -0.912 6.804 7.526 92 HG22 THR 12 HG22 THR 12 -0.085 6.836 5.942 93 HG23 THR 12 HG23 THR 12 0.850 6.454 7.454 94 H ASN 13 H ASN 13 -0.415 3.406 9.507 95 HA ASN 13 HA ASN 13 0.946 5.161 11.299 96 HB2 ASN 13 HB3 ASN 13 -0.496 2.567 11.977 97 HB3 ASN 13 HB2 ASN 13 0.135 3.699 13.159 98 HD21 ASN 13 HD22 ASN 13 -2.678 2.666 11.992 99 HD22 ASN 13 HD21 ASN 13 -3.579 4.116 12.006 100 H ASN 14 H ASN 14 1.558 1.950 10.188 101 HA ASN 14 HA ASN 14 3.912 1.759 11.924 102 HB2 ASN 14 HB3 ASN 14 2.641 -0.278 10.067 103 HB3 ASN 14 HB2 ASN 14 4.086 -0.563 11.018 104 HD21 ASN 14 HD22 ASN 14 0.746 -0.775 11.072 105 HD22 ASN 14 HD21 ASN 14 0.557 -0.956 12.782 106 H ILE 15 H ILE 15 3.383 3.272 9.247 107 HA ILE 15 HA ILE 15 5.623 2.355 7.775 108 HB ILE 15 HB ILE 15 3.379 4.153 7.164 109 HG12 ILE 15 HG13 ILE 15 3.465 1.825 6.466 110 HG13 ILE 15 HG12 ILE 15 3.305 2.942 5.107 111 HG21 ILE 15 HG21 ILE 15 4.972 4.538 4.989 112 HG22 ILE 15 HG22 ILE 15 5.989 4.981 6.373 113 HG23 ILE 15 HG23 ILE 15 4.402 5.752 6.131 114 HD11 ILE 15 HD11 ILE 15 6.039 2.012 5.897 115 HD12 ILE 15 HD12 ILE 15 5.411 2.526 4.332 116 HD13 ILE 15 HD13 ILE 15 4.984 0.937 4.964 117 H THR 16 H THR 16 7.611 2.915 8.238 118 HA THR 16 HA THR 16 8.216 5.518 9.259 119 HB THR 16 HB THR 16 10.484 4.734 9.418 120 HG1 THR 16 HG1 THR 16 9.816 2.087 8.847 121 HG21 THR 16 HG21 THR 16 8.794 2.580 10.467 122 HG22 THR 16 HG22 THR 16 8.757 4.245 11.114 123 HG23 THR 16 HG23 THR 16 10.278 3.325 11.178 124 H LEU 17 H LEU 17 9.599 6.583 8.183 125 HA LEU 17 HA LEU 17 9.410 6.927 5.353 126 HB2 LEU 17 HB3 LEU 17 11.880 7.665 6.941 127 HB3 LEU 17 HB2 LEU 17 11.653 8.076 5.267 128 HG LEU 17 HG LEU 17 9.911 9.103 7.508 129 HD11 LEU 17 HD11 LEU 17 11.044 11.256 6.496 130 HD12 LEU 17 HD12 LEU 17 12.319 10.109 6.071 131 HD13 LEU 17 HD13 LEU 17 11.848 10.333 7.757 132 HD21 LEU 17 HD21 LEU 17 8.782 10.301 5.868 133 HD22 LEU 17 HD22 LEU 17 8.957 8.673 5.207 134 HD23 LEU 17 HD23 LEU 17 10.019 9.934 4.644 135 H GLU 18 H GLU 18 11.812 5.203 7.151 136 HA GLU 18 HA GLU 18 13.255 4.194 5.006 137 HB2 GLU 18 HB3 GLU 18 12.909 2.917 7.730 138 HB3 GLU 18 HB2 GLU 18 14.140 2.474 6.566 139 HG2 GLU 18 HG3 GLU 18 15.188 3.823 8.211 140 HG3 GLU 18 HG2 GLU 18 15.079 4.787 6.765 141 H ASP 19 H ASP 19 10.792 2.704 6.814 142 HA ASP 19 HA ASP 19 10.576 0.338 5.351 143 HB2 ASP 19 HB3 ASP 19 8.389 1.659 6.995 144 HB3 ASP 19 HB2 ASP 19 8.086 0.105 6.181 145 H LEU 20 H LEU 20 8.526 3.170 4.845 146 HA LEU 20 HA LEU 20 7.521 2.467 2.421 147 HB2 LEU 20 HB3 LEU 20 8.299 5.107 3.368 148 HB3 LEU 20 HB2 LEU 20 7.877 4.937 1.683 149 HG LEU 20 HG LEU 20 6.113 4.226 4.002 150 HD11 LEU 20 HD11 LEU 20 6.752 6.641 2.503 151 HD12 LEU 20 HD12 LEU 20 5.742 6.458 3.942 152 HD13 LEU 20 HD13 LEU 20 5.059 6.199 2.341 153 HD21 LEU 20 HD21 LEU 20 6.040 3.737 1.100 154 HD22 LEU 20 HD22 LEU 20 4.543 4.364 1.777 155 HD23 LEU 20 HD23 LEU 20 5.241 2.850 2.383 156 H GLU 21 H GLU 21 10.635 3.855 2.902 157 HA GLU 21 HA GLU 21 11.089 4.000 0.158 158 HB2 GLU 21 HB3 GLU 21 13.204 3.980 2.298 159 HB3 GLU 21 HB2 GLU 21 13.548 4.261 0.591 160 HG2 GLU 21 HG3 GLU 21 11.857 6.125 0.707 161 HG3 GLU 21 HG2 GLU 21 11.930 5.958 2.459 162 H GLN 22 H GLN 22 11.478 1.608 2.236 163 HA GLN 22 HA GLN 22 12.714 -0.258 0.411 164 HB2 GLN 22 HB3 GLN 22 12.777 -0.853 2.783 165 HB3 GLN 22 HB2 GLN 22 11.014 -0.974 2.770 166 HG2 GLN 22 HG3 GLN 22 11.091 -2.826 1.236 167 HG3 GLN 22 HG2 GLN 22 12.849 -2.678 1.124 168 HE21 GLN 22 HE22 GLN 22 13.697 -4.280 2.045 169 HE22 GLN 22 HE21 GLN 22 13.280 -4.945 3.594 170 H LEU 23 H LEU 23 9.213 0.346 1.201 171 HA LEU 23 HA LEU 23 8.305 -1.524 -0.523 172 HB2 LEU 23 HB3 LEU 23 7.178 1.150 0.404 173 HB3 LEU 23 HB2 LEU 23 6.225 -0.076 -0.418 174 HG LEU 23 HG LEU 23 7.526 -0.350 2.277 175 HD11 LEU 23 HD11 LEU 23 5.071 -0.344 2.962 176 HD12 LEU 23 HD12 LEU 23 4.750 0.372 1.385 177 HD13 LEU 23 HD13 LEU 23 5.799 1.192 2.536 178 HD21 LEU 23 HD21 LEU 23 5.341 -2.085 1.338 179 HD22 LEU 23 HD22 LEU 23 6.657 -2.443 2.448 180 HD23 LEU 23 HD23 LEU 23 6.963 -2.403 0.714 181 H LYS 24 H LYS 24 9.145 1.671 -0.865 182 HA LYS 24 HA LYS 24 8.460 2.213 -3.646 183 HB2 LYS 24 HB3 LYS 24 10.909 3.481 -2.360 184 HB3 LYS 24 HB2 LYS 24 10.101 4.036 -3.795 185 HG2 LYS 24 HG3 LYS 24 8.106 4.533 -2.425 186 HG3 LYS 24 HG2 LYS 24 9.041 4.109 -0.987 187 HD2 LYS 24 HD3 LYS 24 9.636 6.318 -2.968 188 HD3 LYS 24 HD2 LYS 24 9.076 6.515 -1.315 189 HE2 LYS 24 HE3 LYS 24 11.190 5.571 -0.497 190 HE3 LYS 24 HE2 LYS 24 11.733 5.335 -2.162 191 HZ1 LYS 24 HZ1 LYS 24 10.949 8.049 -1.407 192 HZ2 LYS 24 HZ2 LYS 24 12.206 7.515 -2.388 193 HZ3 LYS 24 HZ3 LYS 24 12.398 7.465 -0.727 194 H SER 25 H SER 25 11.087 1.311 -2.330 195 HA SER 25 HA SER 25 12.976 0.776 -4.453 196 HB2 SER 25 HB3 SER 25 13.044 -0.928 -1.926 197 HB3 SER 25 HB2 SER 25 14.340 -0.839 -3.138 198 HG SER 25 HG SER 25 13.345 1.239 -1.506 199 H ALA 26 H ALA 26 10.934 -1.308 -2.920 200 HA ALA 26 HA ALA 26 11.085 -3.487 -4.779 201 HB1 ALA 26 HB1 ALA 26 9.706 -3.079 -2.397 202 HB2 ALA 26 HB2 ALA 26 9.695 -4.541 -3.389 203 HB3 ALA 26 HB3 ALA 26 8.447 -3.310 -3.613 204 H CYS 27 H CYS 27 8.765 -0.762 -4.476 205 HA CYS 27 HA CYS 27 7.388 -1.392 -6.824 206 HB2 CYS 27 HB3 CYS 27 7.527 1.241 -5.400 207 HB3 CYS 27 HB2 CYS 27 6.380 0.688 -6.623 208 HG CYS 27 HG CYS 27 6.709 -0.543 -3.477 209 H LYS 28 H LYS 28 10.484 -0.254 -6.731 210 HA LYS 28 HA LYS 28 10.498 2.151 -7.905 211 HB2 LYS 28 HB3 LYS 28 12.819 1.797 -8.628 212 HB3 LYS 28 HB2 LYS 28 12.501 0.996 -7.088 213 HG2 LYS 28 HG3 LYS 28 12.404 -1.130 -8.085 214 HG3 LYS 28 HG2 LYS 28 12.479 -0.454 -9.706 215 HD2 LYS 28 HD3 LYS 28 14.763 0.423 -9.170 216 HD3 LYS 28 HD2 LYS 28 14.653 -0.426 -7.613 217 HE2 LYS 28 HE3 LYS 28 14.478 -2.540 -8.716 218 HE3 LYS 28 HE2 LYS 28 14.457 -1.758 -10.306 219 HZ1 LYS 28 HZ1 LYS 28 16.663 -1.154 -10.092 220 HZ2 LYS 28 HZ2 LYS 28 16.624 -2.751 -9.626 221 HZ3 LYS 28 HZ3 LYS 28 16.791 -1.577 -8.446 222 H GLU 29 H GLU 29 10.192 -0.852 -9.588 223 HA GLU 29 HA GLU 29 10.316 0.279 -12.147 224 HB2 GLU 29 HB3 GLU 29 9.242 -2.384 -11.304 225 HB3 GLU 29 HB2 GLU 29 9.589 -1.863 -12.962 226 HG2 GLU 29 HG3 GLU 29 11.574 -1.934 -10.761 227 HG3 GLU 29 HG2 GLU 29 11.391 -3.273 -11.918 228 H ASP 30 H ASP 30 7.677 -0.552 -9.934 229 HA ASP 30 HA ASP 30 5.628 -0.191 -11.902 230 HB2 ASP 30 HB3 ASP 30 5.401 -0.746 -8.951 231 HB3 ASP 30 HB2 ASP 30 4.042 -0.648 -10.046 232 H ILE 31 H ILE 31 6.585 1.648 -9.050 233 HA ILE 31 HA ILE 31 4.575 3.625 -9.790 234 HB ILE 31 HB ILE 31 4.746 2.736 -7.404 235 HG12 ILE 31 HG13 ILE 31 3.735 4.971 -7.778 236 HG13 ILE 31 HG12 ILE 31 4.450 4.781 -6.178 237 HG21 ILE 31 HG21 ILE 31 7.017 2.460 -7.092 238 HG22 ILE 31 HG22 ILE 31 6.450 3.709 -5.960 239 HG23 ILE 31 HG23 ILE 31 7.343 4.171 -7.410 240 HD11 ILE 31 HD11 ILE 31 4.831 6.943 -7.821 241 HD12 ILE 31 HD12 ILE 31 6.233 5.905 -8.163 242 HD13 ILE 31 HD13 ILE 31 5.872 6.431 -6.497 243 HA PRO 32 HA PRO 32 7.607 5.563 -11.978 244 HB2 PRO 32 HB2 PRO 32 6.744 8.241 -12.005 245 HB3 PRO 32 HB3 PRO 32 6.270 6.918 -13.101 246 HG2 PRO 32 HG3 PRO 32 4.881 7.976 -10.727 247 HG3 PRO 32 HG2 PRO 32 4.244 7.363 -12.260 248 HD2 PRO 32 HD3 PRO 32 4.241 6.022 -9.967 249 HD3 PRO 32 HD2 PRO 32 4.298 5.212 -11.562 250 H SER 33 H SER 33 9.382 6.471 -11.806 251 HA SER 33 HA SER 33 10.861 6.847 -9.430 252 HB2 SER 33 HB3 SER 33 12.012 6.504 -11.610 253 HB3 SER 33 HB2 SER 33 11.552 8.144 -12.103 254 HG SER 33 HG SER 33 12.995 7.809 -9.731 255 H GLU 34 H GLU 34 9.798 9.246 -11.500 256 HA GLU 34 HA GLU 34 10.217 11.710 -10.338 257 HB2 GLU 34 HB3 GLU 34 8.908 11.447 -12.446 258 HB3 GLU 34 HB2 GLU 34 7.487 11.024 -11.489 259 HG2 GLU 34 HG3 GLU 34 7.685 13.273 -10.417 260 HG3 GLU 34 HG2 GLU 34 8.891 13.677 -11.634 261 H LYS 35 H LYS 35 7.686 9.762 -9.813 262 HA LYS 35 HA LYS 35 6.419 11.202 -7.673 263 HB2 LYS 35 HB3 LYS 35 5.754 8.555 -8.892 264 HB3 LYS 35 HB2 LYS 35 4.762 9.337 -7.653 265 HG2 LYS 35 HG3 LYS 35 5.522 10.613 -10.254 266 HG3 LYS 35 HG2 LYS 35 4.016 9.705 -9.949 267 HD2 LYS 35 HD3 LYS 35 3.470 11.166 -8.129 268 HD3 LYS 35 HD2 LYS 35 4.964 12.069 -8.300 269 HE2 LYS 35 HE3 LYS 35 2.778 11.964 -10.383 270 HE3 LYS 35 HE2 LYS 35 2.955 13.253 -9.204 271 HZ1 LYS 35 HZ1 LYS 35 4.633 12.682 -11.584 272 HZ2 LYS 35 HZ2 LYS 35 5.338 13.389 -10.212 273 HZ3 LYS 35 HZ3 LYS 35 4.057 14.147 -10.921 274 H SER 36 H SER 36 7.987 8.000 -7.658 275 HA SER 36 HA SER 36 7.756 7.350 -5.073 276 HB2 SER 36 HB3 SER 36 8.705 5.945 -6.721 277 HB3 SER 36 HB2 SER 36 10.104 6.997 -6.959 278 HG SER 36 HG SER 36 10.969 5.733 -5.544 279 H GLU 37 H GLU 37 9.588 9.677 -6.295 280 HA GLU 37 HA GLU 37 11.469 10.184 -4.211 281 HB2 GLU 37 HB3 GLU 37 10.492 12.252 -6.156 282 HB3 GLU 37 HB2 GLU 37 11.796 12.487 -4.992 283 HG2 GLU 37 HG3 GLU 37 11.737 10.344 -7.062 284 HG3 GLU 37 HG2 GLU 37 12.584 11.889 -7.278 285 H GLU 38 H GLU 38 8.245 11.917 -4.654 286 HA GLU 38 HA GLU 38 8.571 13.142 -2.203 287 HB2 GLU 38 HB3 GLU 38 6.323 13.944 -2.736 288 HB3 GLU 38 HB2 GLU 38 7.441 14.169 -4.071 289 HG2 GLU 38 HG3 GLU 38 6.532 12.185 -5.167 290 HG3 GLU 38 HG2 GLU 38 5.414 11.921 -3.869 291 H ILE 39 H ILE 39 8.229 10.059 -2.353 292 HA ILE 39 HA ILE 39 5.813 9.819 -0.846 293 HB ILE 39 HB ILE 39 7.595 7.681 -2.006 294 HG12 ILE 39 HG13 ILE 39 4.766 8.597 -2.603 295 HG13 ILE 39 HG12 ILE 39 6.204 8.994 -3.543 296 HG21 ILE 39 HG21 ILE 39 5.568 6.194 -1.428 297 HG22 ILE 39 HG22 ILE 39 5.265 7.349 -0.115 298 HG23 ILE 39 HG23 ILE 39 6.786 6.455 -0.189 299 HD11 ILE 39 HD11 ILE 39 5.145 6.275 -3.032 300 HD12 ILE 39 HD12 ILE 39 6.444 6.718 -4.150 301 HD13 ILE 39 HD13 ILE 39 4.786 7.308 -4.437 302 H THR 40 H THR 40 6.938 11.270 0.606 303 HA THR 40 HA THR 40 8.430 9.923 2.711 304 HB THR 40 HB THR 40 9.349 12.007 2.194 305 HG1 THR 40 HG1 THR 40 7.985 11.960 4.587 306 HG21 THR 40 HG21 THR 40 8.048 14.134 2.152 307 HG22 THR 40 HG22 THR 40 6.575 13.192 2.432 308 HG23 THR 40 HG23 THR 40 7.509 12.949 0.964 309 H THR 41 H THR 41 5.506 9.527 2.205 310 HA THR 41 HA THR 41 4.940 8.976 4.822 311 HB THR 41 HB THR 41 4.305 11.160 5.115 312 HG1 THR 41 HG1 THR 41 2.486 10.796 6.139 313 HG21 THR 41 HG21 THR 41 2.553 10.896 2.712 314 HG22 THR 41 HG22 THR 41 3.748 12.136 3.072 315 HG23 THR 41 HG23 THR 41 2.212 12.123 3.936 316 H GLY 42 H GLY 42 3.286 7.688 5.162 317 HA2 GLY 42 HA3 GLY 42 3.106 5.780 3.066 318 HA3 GLY 42 HA2 GLY 42 2.082 5.682 4.512 319 H SER 43 H SER 43 0.481 7.998 4.375 320 HA SER 43 HA SER 43 -1.389 7.455 2.622 321 HB2 SER 43 HB3 SER 43 -0.529 10.102 3.787 322 HB3 SER 43 HB2 SER 43 -2.148 9.683 3.238 323 HG SER 43 HG SER 43 -2.438 8.435 4.945 324 H ALA 44 H ALA 44 1.339 9.505 2.280 325 HA ALA 44 HA ALA 44 0.752 10.907 -0.122 326 HB1 ALA 44 HB1 ALA 44 3.415 10.599 -0.578 327 HB2 ALA 44 HB2 ALA 44 3.318 10.215 1.152 328 HB3 ALA 44 HB3 ALA 44 2.734 11.767 0.559 329 H TRP 45 H TRP 45 2.428 7.816 0.136 330 HA TRP 45 HA TRP 45 2.481 7.268 -2.651 331 HB2 TRP 45 HB3 TRP 45 3.813 6.050 -0.877 332 HB3 TRP 45 HB2 TRP 45 2.305 5.346 -0.345 333 HD1 TRP 45 HD1 TRP 45 3.548 5.597 -4.018 334 HE1 TRP 45 HE1 TRP 45 3.673 3.123 -4.927 335 HE3 TRP 45 HE3 TRP 45 2.356 3.019 0.234 336 HZ2 TRP 45 HZ2 TRP 45 3.381 0.598 -4.006 337 HZ3 TRP 45 HZ3 TRP 45 2.334 0.580 0.141 338 HH2 TRP 45 HH2 TRP 45 2.824 -0.611 -1.941 339 H PHE 46 H PHE 46 0.208 6.183 -0.234 340 HA PHE 46 HA PHE 46 -1.387 4.928 -2.102 341 HB2 PHE 46 HB3 PHE 46 -2.341 6.344 0.352 342 HB3 PHE 46 HB2 PHE 46 -3.335 5.251 -0.615 343 HD1 PHE 46 HD1 PHE 46 -2.121 2.985 -1.140 344 HD2 PHE 46 HD2 PHE 46 -1.426 5.456 2.274 345 HE1 PHE 46 HE1 PHE 46 -1.426 1.025 0.124 346 HE2 PHE 46 HE2 PHE 46 -0.739 3.486 3.549 347 HZ PHE 46 HZ PHE 46 -0.725 1.238 2.401 348 H SER 47 H SER 47 -1.768 8.004 -0.895 349 HA SER 47 HA SER 47 -3.818 8.951 -2.634 350 HB2 SER 47 HB3 SER 47 -1.819 10.624 -1.176 351 HB3 SER 47 HB2 SER 47 -3.303 11.255 -1.934 352 HG SER 47 HG SER 47 -4.212 9.373 -0.611 353 H PHE 48 H PHE 48 -0.435 8.891 -3.281 354 HA PHE 48 HA PHE 48 -0.657 10.379 -5.715 355 HB2 PHE 48 HB3 PHE 48 1.592 10.048 -4.955 356 HB3 PHE 48 HB2 PHE 48 1.329 8.312 -4.723 357 HD1 PHE 48 HD1 PHE 48 0.955 10.769 -7.591 358 HD2 PHE 48 HD2 PHE 48 2.182 6.972 -6.167 359 HE1 PHE 48 HE1 PHE 48 1.499 10.092 -9.858 360 HE2 PHE 48 HE2 PHE 48 2.775 6.311 -8.447 361 HZ PHE 48 HZ PHE 48 2.426 7.870 -10.299 362 H LEU 49 H LEU 49 -0.446 6.922 -4.833 363 HA LEU 49 HA LEU 49 -0.713 5.761 -7.213 364 HB2 LEU 49 HB3 LEU 49 -0.295 5.150 -4.746 365 HB3 LEU 49 HB2 LEU 49 -2.014 4.721 -4.803 366 HG LEU 49 HG LEU 49 -1.492 2.978 -6.521 367 HD11 LEU 49 HD11 LEU 49 1.400 3.207 -6.152 368 HD12 LEU 49 HD12 LEU 49 0.701 4.637 -6.901 369 HD13 LEU 49 HD13 LEU 49 0.464 3.067 -7.650 370 HD21 LEU 49 HD21 LEU 49 -0.824 2.941 -3.804 371 HD22 LEU 49 HD22 LEU 49 0.612 2.307 -4.591 372 HD23 LEU 49 HD23 LEU 49 -0.933 1.530 -4.849 373 H GLU 50 H GLU 50 -3.177 6.321 -4.876 374 HA GLU 50 HA GLU 50 -5.684 5.758 -5.984 375 HB2 GLU 50 HB3 GLU 50 -5.230 8.388 -4.547 376 HB3 GLU 50 HB2 GLU 50 -6.795 7.674 -4.875 377 HG2 GLU 50 HG3 GLU 50 -6.336 5.903 -3.342 378 HG3 GLU 50 HG2 GLU 50 -4.694 6.516 -3.077 379 H SER 51 H SER 51 -4.108 8.417 -6.212 380 HA SER 51 HA SER 51 -5.676 9.970 -8.056 381 HB2 SER 51 HB3 SER 51 -2.712 10.435 -7.763 382 HB3 SER 51 HB2 SER 51 -3.801 11.503 -8.628 383 HG SER 51 HG SER 51 -3.766 10.875 -5.892 384 H HIS 52 H HIS 52 -3.364 7.515 -8.717 385 HA HIS 52 HA HIS 52 -4.064 7.749 -11.554 386 HB2 HIS 52 HB3 HIS 52 -1.621 6.466 -10.361 387 HB3 HIS 52 HB2 HIS 52 -2.012 6.246 -12.088 388 HD1 HIS 52 HD1 HIS 52 0.242 7.520 -12.857 389 HD2 HIS 52 HD2 HIS 52 -2.039 9.383 -10.000 390 HE1 HIS 52 HE1 HIS 52 1.262 9.779 -12.663 391 H ASN 53 H ASN 53 -3.886 5.288 -12.583 392 HA ASN 53 HA ASN 53 -5.835 3.941 -10.939 393 HB2 ASN 53 HB3 ASN 53 -6.356 2.508 -12.966 394 HB3 ASN 53 HB2 ASN 53 -6.700 4.227 -13.124 395 HD21 ASN 53 HD22 ASN 53 -6.330 4.874 -15.081 396 HD22 ASN 53 HD21 ASN 53 -5.007 4.401 -16.090 397 H LYS 54 H LYS 54 -3.555 3.716 -9.761 398 HA LYS 54 HA LYS 54 -2.767 0.927 -10.222 399 HB2 LYS 54 HB3 LYS 54 -1.338 2.812 -8.357 400 HB3 LYS 54 HB2 LYS 54 -0.921 1.168 -8.742 401 HG2 LYS 54 HG3 LYS 54 -0.820 3.486 -10.656 402 HG3 LYS 54 HG2 LYS 54 0.538 2.672 -9.877 403 HD2 LYS 54 HD3 LYS 54 -1.423 1.399 -11.748 404 HD3 LYS 54 HD2 LYS 54 0.182 1.957 -12.228 405 HE2 LYS 54 HE3 LYS 54 1.177 0.315 -10.643 406 HE3 LYS 54 HE2 LYS 54 -0.438 -0.267 -10.248 407 HZ1 LYS 54 HZ1 LYS 54 -0.092 -1.736 -12.001 408 HZ2 LYS 54 HZ2 LYS 54 1.241 -0.832 -12.525 409 HZ3 LYS 54 HZ3 LYS 54 -0.305 -0.388 -12.976 410 H LEU 55 H LEU 55 -4.529 2.925 -8.161 411 HA LEU 55 HA LEU 55 -5.352 0.758 -6.535 412 HB2 LEU 55 HB3 LEU 55 -3.187 1.113 -5.472 413 HB3 LEU 55 HB2 LEU 55 -3.517 2.824 -5.294 414 HG LEU 55 HG LEU 55 -5.120 0.718 -3.771 415 HD11 LEU 55 HD11 LEU 55 -3.218 0.248 -2.739 416 HD12 LEU 55 HD12 LEU 55 -3.417 1.827 -1.974 417 HD13 LEU 55 HD13 LEU 55 -2.398 1.646 -3.421 418 HD21 LEU 55 HD21 LEU 55 -6.136 2.909 -3.616 419 HD22 LEU 55 HD22 LEU 55 -4.563 3.644 -3.283 420 HD23 LEU 55 HD23 LEU 55 -5.307 2.567 -2.104 421 H ASP 56 H ASP 56 -7.231 1.212 -7.077 422 HA ASP 56 HA ASP 56 -8.354 3.751 -6.347 423 HB2 ASP 56 HB3 ASP 56 -9.683 1.316 -7.556 424 HB3 ASP 56 HB2 ASP 56 -10.653 2.608 -6.946 425 H LYS 57 H LYS 57 -10.611 3.063 -5.300 426 HA LYS 57 HA LYS 57 -10.226 2.617 -2.618 427 HB2 LYS 57 HB3 LYS 57 -12.666 2.330 -2.603 428 HB3 LYS 57 HB2 LYS 57 -12.048 3.833 -3.254 429 HG2 LYS 57 HG3 LYS 57 -13.875 3.075 -4.690 430 HG3 LYS 57 HG2 LYS 57 -12.344 2.951 -5.554 431 HD2 LYS 57 HD3 LYS 57 -12.214 0.627 -4.944 432 HD3 LYS 57 HD2 LYS 57 -13.801 0.705 -4.189 433 HE2 LYS 57 HE3 LYS 57 -13.971 -0.314 -6.345 434 HE3 LYS 57 HE2 LYS 57 -14.747 1.279 -6.473 435 HZ1 LYS 57 HZ1 LYS 57 -12.887 2.046 -7.799 436 HZ2 LYS 57 HZ2 LYS 57 -13.196 0.489 -8.311 437 HZ3 LYS 57 HZ3 LYS 57 -11.935 0.709 -7.310 438 H ASP 58 H ASP 58 -10.430 0.249 -5.181 439 HA ASP 58 HA ASP 58 -11.117 -1.775 -3.278 440 HB2 ASP 58 HB3 ASP 58 -11.723 -3.155 -5.224 441 HB3 ASP 58 HB2 ASP 58 -12.718 -1.728 -5.001 442 H ASN 59 H ASN 59 -9.065 -1.131 -5.791 443 HA ASN 59 HA ASN 59 -7.990 -3.732 -5.481 444 HB2 ASN 59 HB3 ASN 59 -6.860 -3.421 -7.584 445 HB3 ASN 59 HB2 ASN 59 -8.376 -2.528 -7.565 446 HD21 ASN 59 HD22 ASN 59 -8.533 -0.707 -8.063 447 HD22 ASN 59 HD21 ASN 59 -7.205 0.310 -8.556 448 H LEU 60 H LEU 60 -6.525 -4.463 -4.674 449 HA LEU 60 HA LEU 60 -4.538 -2.851 -3.292 450 HB2 LEU 60 HB3 LEU 60 -4.689 -4.461 -1.353 451 HB3 LEU 60 HB2 LEU 60 -6.081 -3.469 -1.654 452 HG LEU 60 HG LEU 60 -7.247 -5.405 -2.678 453 HD11 LEU 60 HD11 LEU 60 -6.425 -7.508 -2.861 454 HD12 LEU 60 HD12 LEU 60 -5.165 -7.251 -1.610 455 HD13 LEU 60 HD13 LEU 60 -5.011 -6.514 -3.203 456 HD21 LEU 60 HD21 LEU 60 -6.480 -5.055 0.060 457 HD22 LEU 60 HD22 LEU 60 -6.836 -6.748 -0.292 458 HD23 LEU 60 HD23 LEU 60 -8.037 -5.489 -0.635 459 H SER 61 H SER 61 -4.897 -5.685 -4.971 460 HA SER 61 HA SER 61 -2.775 -7.236 -4.317 461 HB2 SER 61 HB3 SER 61 -3.734 -6.944 -7.155 462 HB3 SER 61 HB2 SER 61 -2.766 -8.301 -6.558 463 HG SER 61 HG SER 61 -4.421 -8.673 -5.019 464 H TYR 62 H TYR 62 -2.473 -4.574 -6.298 465 HA TYR 62 HA TYR 62 0.291 -4.877 -7.000 466 HB2 TYR 62 HB3 TYR 62 -0.764 -3.182 -8.222 467 HB3 TYR 62 HB2 TYR 62 -1.467 -2.441 -6.804 468 HD1 TYR 62 HD1 TYR 62 2.102 -3.400 -7.378 469 HD2 TYR 62 HD2 TYR 62 -0.710 -0.299 -6.860 470 HE1 TYR 62 HE1 TYR 62 3.955 -1.781 -7.152 471 HE2 TYR 62 HE2 TYR 62 1.106 1.340 -6.731 472 HH TYR 62 HH TYR 62 4.295 0.457 -6.178 473 H ILE 63 H ILE 63 -1.227 -3.245 -4.292 474 HA ILE 63 HA ILE 63 1.297 -2.601 -3.146 475 HB ILE 63 HB ILE 63 0.167 -1.384 -1.505 476 HG12 ILE 63 HG13 ILE 63 -2.432 -2.682 -2.281 477 HG13 ILE 63 HG12 ILE 63 -1.498 -3.312 -0.923 478 HG21 ILE 63 HG21 ILE 63 -0.186 -0.991 -4.078 479 HG22 ILE 63 HG22 ILE 63 -0.742 0.092 -2.776 480 HG23 ILE 63 HG23 ILE 63 -1.846 -1.090 -3.495 481 HD11 ILE 63 HD11 ILE 63 -1.470 -0.980 -0.123 482 HD12 ILE 63 HD12 ILE 63 -2.968 -1.884 0.100 483 HD13 ILE 63 HD13 ILE 63 -2.832 -0.678 -1.212 484 H GLU 64 H GLU 64 -0.898 -5.134 -3.000 485 HA GLU 64 HA GLU 64 -0.368 -6.302 -0.380 486 HB2 GLU 64 HB3 GLU 64 -2.323 -7.004 -1.809 487 HB3 GLU 64 HB2 GLU 64 -1.184 -7.687 -2.956 488 HG2 GLU 64 HG3 GLU 64 -0.473 -9.327 -1.211 489 HG3 GLU 64 HG2 GLU 64 -1.713 -8.633 -0.161 490 H HIS 65 H HIS 65 0.787 -7.158 -3.624 491 HA HIS 65 HA HIS 65 2.989 -8.781 -3.042 492 HB2 HIS 65 HB3 HIS 65 1.973 -8.278 -5.255 493 HB3 HIS 65 HB2 HIS 65 2.447 -6.603 -5.073 494 HD1 HIS 65 HD1 HIS 65 4.264 -9.983 -5.231 495 HD2 HIS 65 HD2 HIS 65 4.570 -6.043 -6.442 496 HE1 HIS 65 HE1 HIS 65 6.317 -9.932 -6.631 497 H ILE 66 H ILE 66 3.077 -5.386 -3.529 498 HA ILE 66 HA ILE 66 5.580 -4.952 -2.926 499 HB ILE 66 HB ILE 66 3.385 -3.189 -1.898 500 HG12 ILE 66 HG13 ILE 66 3.264 -3.771 -4.076 501 HG13 ILE 66 HG12 ILE 66 3.612 -2.024 -4.143 502 HG21 ILE 66 HG21 ILE 66 5.559 -2.641 -0.788 503 HG22 ILE 66 HG22 ILE 66 4.975 -1.318 -1.751 504 HG23 ILE 66 HG23 ILE 66 6.282 -2.326 -2.358 505 HD11 ILE 66 HD11 ILE 66 4.896 -4.359 -5.227 506 HD12 ILE 66 HD12 ILE 66 6.035 -3.319 -4.355 507 HD13 ILE 66 HD13 ILE 66 5.048 -2.653 -5.682 508 H PHE 67 H PHE 67 3.033 -5.184 -0.318 509 HA PHE 67 HA PHE 67 4.926 -4.890 1.573 510 HB2 PHE 67 HB3 PHE 67 2.181 -6.107 1.761 511 HB3 PHE 67 HB2 PHE 67 3.208 -5.636 3.126 512 HD1 PHE 67 HD2 PHE 67 4.095 -3.133 2.925 513 HD2 PHE 67 HD1 PHE 67 0.654 -4.691 1.086 514 HE1 PHE 67 HE2 PHE 67 3.251 -0.830 2.606 515 HE2 PHE 67 HE1 PHE 67 -0.219 -2.416 0.752 516 HZ PHE 67 HZ PHE 67 1.087 -0.471 1.523 517 H GLU 68 H GLU 68 4.033 -7.805 -0.307 518 HA GLU 68 HA GLU 68 4.993 -9.807 1.552 519 HB2 GLU 68 HB3 GLU 68 3.348 -10.119 -0.267 520 HB3 GLU 68 HB2 GLU 68 4.548 -9.607 -1.433 521 HG2 GLU 68 HG3 GLU 68 4.420 -11.931 -1.575 522 HG3 GLU 68 HG2 GLU 68 5.895 -11.483 -0.656 523 H ILE 69 H ILE 69 6.172 -8.418 -1.419 524 HA ILE 69 HA ILE 69 8.628 -9.573 -1.236 525 HB ILE 69 HB ILE 69 9.389 -8.157 -3.024 526 HG12 ILE 69 HG13 ILE 69 6.781 -6.673 -2.616 527 HG13 ILE 69 HG12 ILE 69 8.412 -6.039 -2.404 528 HG21 ILE 69 HG21 ILE 69 8.182 -9.382 -4.475 529 HG22 ILE 69 HG22 ILE 69 6.665 -8.704 -3.878 530 HG23 ILE 69 HG23 ILE 69 7.419 -10.033 -3.018 531 HD11 ILE 69 HD11 ILE 69 6.865 -6.046 -4.721 532 HD12 ILE 69 HD12 ILE 69 8.152 -7.235 -4.919 533 HD13 ILE 69 HD13 ILE 69 8.586 -5.555 -4.539 534 H SER 70 H SER 70 7.643 -6.504 -0.009 535 HA SER 70 HA SER 70 10.309 -5.682 0.713 536 HB2 SER 70 HB3 SER 70 7.641 -4.540 1.548 537 HB3 SER 70 HB2 SER 70 9.232 -3.779 1.717 538 HG SER 70 HG SER 70 7.695 -4.268 -0.535 539 H ARG 71 H ARG 71 11.028 -5.697 2.841 540 HA ARG 71 HA ARG 71 10.053 -7.893 4.287 541 HB2 ARG 71 HB3 ARG 71 12.340 -6.090 5.033 542 HB3 ARG 71 HB2 ARG 71 11.978 -7.695 5.680 543 HG2 ARG 71 HG3 ARG 71 12.463 -7.111 2.839 544 HG3 ARG 71 HG2 ARG 71 13.736 -7.693 3.923 545 HD2 ARG 71 HD3 ARG 71 11.167 -9.105 3.166 546 HD3 ARG 71 HD2 ARG 71 12.709 -9.445 2.398 547 HE ARG 71 HE ARG 71 13.347 -10.660 4.253 548 HH11 ARG 71 HH11 ARG 71 10.020 -9.660 4.757 549 HH12 ARG 71 HH12 ARG 71 9.929 -10.263 6.362 550 HH21 ARG 71 HH22 ARG 71 13.254 -11.452 6.507 551 HH22 ARG 71 HH21 ARG 71 11.800 -11.351 7.335 552 H ARG 72 H ARG 72 8.058 -6.528 4.434 553 HA ARG 72 HA ARG 72 7.585 -5.542 7.140 554 HB2 ARG 72 HB3 ARG 72 7.134 -4.083 4.585 555 HB3 ARG 72 HB2 ARG 72 5.995 -3.870 5.910 556 HG2 ARG 72 HG3 ARG 72 8.914 -3.431 6.232 557 HG3 ARG 72 HG2 ARG 72 7.844 -2.139 5.621 558 HD2 ARG 72 HD3 ARG 72 8.094 -1.832 8.009 559 HD3 ARG 72 HD2 ARG 72 6.492 -2.462 7.697 560 HE ARG 72 HE ARG 72 7.009 -4.229 9.062 561 HH11 ARG 72 HH11 ARG 72 10.038 -2.647 8.194 562 HH12 ARG 72 HH12 ARG 72 11.003 -3.795 9.009 563 HH21 ARG 72 HH22 ARG 72 8.212 -5.655 10.197 564 HH22 ARG 72 HH21 ARG 72 9.938 -5.546 10.302 565 HA PRO 73 HA PRO 73 4.530 -8.559 5.186 566 HB2 PRO 73 HB2 PRO 73 4.695 -10.430 7.183 567 HB3 PRO 73 HB3 PRO 73 5.537 -10.537 5.642 568 HG2 PRO 73 HG3 PRO 73 6.501 -9.703 8.281 569 HG3 PRO 73 HG2 PRO 73 7.362 -10.552 6.971 570 HD2 PRO 73 HD3 PRO 73 7.722 -7.924 7.578 571 HD3 PRO 73 HD2 PRO 73 7.956 -8.605 5.951 572 H ASP 74 H ASP 74 5.044 -6.856 8.030 573 HA ASP 74 HA ASP 74 2.838 -7.587 9.711 574 HB2 ASP 74 HB3 ASP 74 4.191 -4.864 9.478 575 HB3 ASP 74 HB2 ASP 74 3.381 -5.550 10.885 576 H LEU 75 H LEU 75 3.561 -5.175 7.578 577 HA LEU 75 HA LEU 75 0.997 -3.914 7.372 578 HB2 LEU 75 HB3 LEU 75 3.321 -3.651 5.447 579 HB3 LEU 75 HB2 LEU 75 1.829 -2.762 5.281 580 HG LEU 75 HG LEU 75 2.344 -1.508 7.439 581 HD11 LEU 75 HD11 LEU 75 3.950 -3.574 8.105 582 HD12 LEU 75 HD12 LEU 75 3.882 -1.992 8.845 583 HD13 LEU 75 HD13 LEU 75 5.088 -2.326 7.596 584 HD21 LEU 75 HD21 LEU 75 3.044 -0.647 5.276 585 HD22 LEU 75 HD22 LEU 75 4.563 -1.534 5.406 586 HD23 LEU 75 HD23 LEU 75 4.187 -0.246 6.558 587 H LEU 76 H LEU 76 2.625 -6.065 5.318 588 HA LEU 76 HA LEU 76 0.804 -6.777 3.222 589 HB2 LEU 76 HB3 LEU 76 2.914 -8.163 3.598 590 HB3 LEU 76 HB2 LEU 76 2.001 -8.979 4.874 591 HG LEU 76 HG LEU 76 0.311 -9.454 3.085 592 HD11 LEU 76 HD11 LEU 76 0.784 -9.767 0.949 593 HD12 LEU 76 HD12 LEU 76 2.480 -9.373 1.177 594 HD13 LEU 76 HD13 LEU 76 1.240 -8.118 1.383 595 HD21 LEU 76 HD21 LEU 76 1.397 -11.612 2.562 596 HD22 LEU 76 HD22 LEU 76 1.386 -11.187 4.266 597 HD23 LEU 76 HD23 LEU 76 2.874 -11.022 3.301 598 H THR 77 H THR 77 1.029 -8.265 6.210 599 HA THR 77 HA THR 77 -1.114 -9.878 6.445 600 HB THR 77 HB THR 77 0.195 -8.260 8.537 601 HG1 THR 77 HG1 THR 77 1.645 -9.657 7.822 602 HG21 THR 77 HG21 THR 77 -1.688 -8.829 9.599 603 HG22 THR 77 HG22 THR 77 -0.644 -10.220 9.999 604 HG23 THR 77 HG23 THR 77 -1.858 -10.344 8.684 605 H MET 78 H MET 78 -0.994 -6.533 7.263 606 HA MET 78 HA MET 78 -3.704 -6.257 8.076 607 HB2 MET 78 HB3 MET 78 -1.813 -4.151 7.034 608 HB3 MET 78 HB2 MET 78 -3.402 -3.828 7.710 609 HG2 MET 78 HG3 MET 78 -2.762 -4.772 9.804 610 HG3 MET 78 HG2 MET 78 -1.196 -5.275 9.197 611 HE1 MET 78 HE1 MET 78 -1.526 -3.978 11.753 612 HE2 MET 78 HE2 MET 78 -0.706 -2.427 11.880 613 HE3 MET 78 HE3 MET 78 0.167 -3.839 11.273 614 H VAL 79 H VAL 79 -2.221 -6.058 4.884 615 HA VAL 79 HA VAL 79 -4.581 -5.152 3.532 616 HB VAL 79 HB VAL 79 -2.227 -6.723 2.448 617 HG11 VAL 79 HG11 VAL 79 -3.773 -4.739 0.845 618 HG12 VAL 79 HG12 VAL 79 -4.344 -6.398 1.028 619 HG13 VAL 79 HG13 VAL 79 -2.766 -6.081 0.317 620 HG21 VAL 79 HG21 VAL 79 -1.264 -4.899 3.515 621 HG22 VAL 79 HG22 VAL 79 -2.501 -3.778 2.963 622 HG23 VAL 79 HG23 VAL 79 -1.323 -4.414 1.814 623 H VAL 80 H VAL 80 -2.941 -8.253 3.925 624 HA VAL 80 HA VAL 80 -4.746 -9.962 2.693 625 HB VAL 80 HB VAL 80 -2.932 -10.504 5.125 626 HG11 VAL 80 HG11 VAL 80 -4.804 -12.132 4.806 627 HG12 VAL 80 HG12 VAL 80 -3.171 -12.798 4.806 628 HG13 VAL 80 HG13 VAL 80 -4.038 -12.597 3.273 629 HG21 VAL 80 HG21 VAL 80 -1.273 -10.274 3.645 630 HG22 VAL 80 HG22 VAL 80 -2.410 -10.149 2.302 631 HG23 VAL 80 HG23 VAL 80 -1.859 -11.730 2.868 632 H ASP 81 H ASP 81 -4.478 -9.203 5.908 633 HA ASP 81 HA ASP 81 -6.673 -10.455 7.119 634 HB2 ASP 81 HB3 ASP 81 -4.906 -9.356 8.489 635 HB3 ASP 81 HB2 ASP 81 -5.541 -7.787 8.071 636 H TYR 82 H TYR 82 -6.482 -7.283 5.885 637 HA TYR 82 HA TYR 82 -9.092 -6.212 6.281 638 HB2 TYR 82 HB3 TYR 82 -7.422 -4.754 5.530 639 HB3 TYR 82 HB2 TYR 82 -7.107 -5.713 4.076 640 HD1 TYR 82 HD2 TYR 82 -9.856 -3.790 5.779 641 HD2 TYR 82 HD1 TYR 82 -8.052 -5.187 2.220 642 HE1 TYR 82 HE2 TYR 82 -11.387 -2.427 4.479 643 HE2 TYR 82 HE1 TYR 82 -9.606 -3.876 0.877 644 HH TYR 82 HH TYR 82 -11.772 -2.882 1.094 645 H ARG 83 H ARG 83 -7.749 -7.899 3.449 646 HA ARG 83 HA ARG 83 -10.012 -7.892 1.863 647 HB2 ARG 83 HB3 ARG 83 -8.048 -8.272 0.759 648 HB3 ARG 83 HB2 ARG 83 -7.395 -9.282 2.016 649 HG2 ARG 83 HG3 ARG 83 -9.499 -10.246 0.110 650 HG3 ARG 83 HG2 ARG 83 -7.766 -10.279 -0.325 651 HD2 ARG 83 HD3 ARG 83 -7.573 -11.549 1.915 652 HD3 ARG 83 HD2 ARG 83 -9.317 -11.741 1.784 653 HE ARG 83 HE ARG 83 -7.989 -12.520 -0.585 654 HH11 ARG 83 HH11 ARG 83 -8.766 -13.633 2.723 655 HH12 ARG 83 HH12 ARG 83 -8.499 -15.259 2.388 656 HH21 ARG 83 HH22 ARG 83 -7.429 -14.824 -0.968 657 HH22 ARG 83 HH21 ARG 83 -7.636 -15.933 0.311 658 H THR 84 H THR 84 -8.938 -10.153 3.921 659 HA THR 84 HA THR 84 -11.080 -12.027 3.765 660 HB THR 84 HB THR 84 -9.251 -11.496 6.052 661 HG1 THR 84 HG1 THR 84 -7.875 -12.152 4.582 662 HG21 THR 84 HG21 THR 84 -10.865 -13.873 5.289 663 HG22 THR 84 HG22 THR 84 -11.160 -12.715 6.587 664 HG23 THR 84 HG23 THR 84 -9.708 -13.772 6.667 665 H ARG 85 H ARG 85 -10.376 -10.146 6.320 666 HA ARG 85 HA ARG 85 -12.485 -10.358 7.888 667 HB2 ARG 85 HB3 ARG 85 -11.797 -8.538 9.375 668 HB3 ARG 85 HB2 ARG 85 -10.376 -9.292 8.690 669 HG2 ARG 85 HG3 ARG 85 -9.769 -7.095 8.498 670 HG3 ARG 85 HG2 ARG 85 -10.612 -7.218 6.963 671 HD2 ARG 85 HD3 ARG 85 -11.420 -5.293 8.032 672 HD3 ARG 85 HD2 ARG 85 -12.636 -6.601 8.121 673 HE ARG 85 HE ARG 85 -11.051 -6.858 10.346 674 HH11 ARG 85 HH11 ARG 85 -13.423 -4.445 9.205 675 HH12 ARG 85 HH12 ARG 85 -13.797 -3.890 10.711 676 HH21 ARG 85 HH22 ARG 85 -11.567 -6.075 12.475 677 HH22 ARG 85 HH21 ARG 85 -12.710 -4.836 12.682 678 H VAL 86 H VAL 86 -12.153 -7.814 5.905 679 HA VAL 86 HA VAL 86 -14.806 -6.680 6.048 680 HB VAL 86 HB VAL 86 -12.801 -6.400 3.830 681 HG11 VAL 86 HG11 VAL 86 -14.315 -5.106 2.611 682 HG12 VAL 86 HG12 VAL 86 -14.776 -4.216 4.067 683 HG13 VAL 86 HG13 VAL 86 -15.560 -5.759 3.682 684 HG21 VAL 86 HG21 VAL 86 -11.876 -4.857 5.112 685 HG22 VAL 86 HG22 VAL 86 -12.986 -5.399 6.374 686 HG23 VAL 86 HG23 VAL 86 -13.420 -4.036 5.334 687 H LEU 87 H LEU 87 -13.497 -9.181 4.078 688 HA LEU 87 HA LEU 87 -15.591 -9.694 2.253 689 HB2 LEU 87 HB3 LEU 87 -13.244 -10.535 2.332 690 HB3 LEU 87 HB2 LEU 87 -13.628 -11.450 3.738 691 HG LEU 87 HG LEU 87 -13.299 -12.899 1.961 692 HD11 LEU 87 HD11 LEU 87 -14.801 -13.908 3.164 693 HD12 LEU 87 HD12 LEU 87 -15.608 -13.930 1.578 694 HD13 LEU 87 HD13 LEU 87 -16.071 -12.736 2.822 695 HD21 LEU 87 HD21 LEU 87 -13.671 -11.195 0.219 696 HD22 LEU 87 HD22 LEU 87 -15.403 -11.576 0.287 697 HD23 LEU 87 HD23 LEU 87 -14.215 -12.823 -0.171 698 H LYS 88 H LYS 88 -14.801 -10.955 5.361 699 HA LYS 88 HA LYS 88 -17.143 -12.490 5.769 700 HB2 LYS 88 HB3 LYS 88 -14.987 -12.963 6.942 701 HB3 LYS 88 HB2 LYS 88 -15.220 -11.542 7.911 702 HG2 LYS 88 HG3 LYS 88 -15.773 -13.582 9.135 703 HG3 LYS 88 HG2 LYS 88 -17.168 -12.545 9.018 704 HD2 LYS 88 HD3 LYS 88 -18.050 -13.855 7.165 705 HD3 LYS 88 HD2 LYS 88 -16.613 -14.864 7.164 706 HE2 LYS 88 HE3 LYS 88 -18.570 -14.629 9.447 707 HE3 LYS 88 HE2 LYS 88 -18.585 -15.915 8.247 708 HZ1 LYS 88 HZ1 LYS 88 -17.471 -16.564 10.310 709 HZ2 LYS 88 HZ2 LYS 88 -16.289 -15.368 10.103 710 HZ3 LYS 88 HZ3 LYS 88 -16.439 -16.624 8.985 711 H ILE 89 H ILE 89 -16.552 -9.122 6.512 712 HA ILE 89 HA ILE 89 -18.752 -8.797 8.245 713 HB ILE 89 HB ILE 89 -16.992 -6.968 6.651 714 HG12 ILE 89 HG13 ILE 89 -17.130 -7.501 9.627 715 HG13 ILE 89 HG12 ILE 89 -15.894 -8.073 8.509 716 HG21 ILE 89 HG21 ILE 89 -17.916 -5.102 7.893 717 HG22 ILE 89 HG22 ILE 89 -19.208 -6.199 8.458 718 HG23 ILE 89 HG23 ILE 89 -18.969 -5.907 6.712 719 HD11 ILE 89 HD11 ILE 89 -14.749 -6.207 8.689 720 HD12 ILE 89 HD12 ILE 89 -15.820 -5.764 10.014 721 HD13 ILE 89 HD13 ILE 89 -16.172 -5.221 8.370 722 H SER 90 H SER 90 -18.054 -8.084 4.845 723 HA SER 90 HA SER 90 -20.775 -7.236 4.404 724 HB2 SER 90 HB3 SER 90 -18.437 -7.442 2.529 725 HB3 SER 90 HB2 SER 90 -20.013 -6.699 2.146 726 HG SER 90 HG SER 90 -18.871 -5.779 4.451 Start of MODEL 5 1 H1 MET 1 H MET 1 -16.103 2.516 1.309 2 H2 MET 1 H2 MET 1 -15.622 1.983 -0.185 3 H3 MET 1 H3 MET 1 -15.234 1.057 1.193 4 HA MET 1 HA MET 1 -13.324 2.199 0.452 5 HB2 MET 1 HB3 MET 1 -14.359 3.952 -0.842 6 HB3 MET 1 HB2 MET 1 -15.000 4.704 0.624 7 HG2 MET 1 HG3 MET 1 -12.688 5.193 1.334 8 HG3 MET 1 HG2 MET 1 -12.100 4.427 -0.127 9 HE1 MET 1 HE1 MET 1 -10.679 6.516 -0.064 10 HE2 MET 1 HE2 MET 1 -11.505 7.812 0.783 11 HE3 MET 1 HE3 MET 1 -11.143 7.993 -0.933 12 H ALA 2 H ALA 2 -15.429 3.018 3.069 13 HA ALA 2 HA ALA 2 -13.431 4.288 4.650 14 HB1 ALA 2 HB1 ALA 2 -15.619 2.742 6.002 15 HB2 ALA 2 HB2 ALA 2 -15.987 4.244 5.154 16 HB3 ALA 2 HB3 ALA 2 -14.891 4.254 6.527 17 H GLU 3 H GLU 3 -14.426 1.013 5.331 18 HA GLU 3 HA GLU 3 -12.554 0.310 7.014 19 HB2 GLU 3 HB3 GLU 3 -13.218 -1.492 4.687 20 HB3 GLU 3 HB2 GLU 3 -12.433 -2.035 6.166 21 HG2 GLU 3 HG3 GLU 3 -15.092 -0.751 5.998 22 HG3 GLU 3 HG2 GLU 3 -14.875 -2.522 6.093 23 H TYR 4 H TYR 4 -12.222 0.377 3.902 24 HA TYR 4 HA TYR 4 -9.461 -0.337 3.312 25 HB2 TYR 4 HB3 TYR 4 -11.097 -0.144 1.483 26 HB3 TYR 4 HB2 TYR 4 -10.931 1.635 1.523 27 HD1 TYR 4 HD1 TYR 4 -8.720 -1.299 1.695 28 HD2 TYR 4 HD2 TYR 4 -9.603 2.317 -0.353 29 HE1 TYR 4 HE1 TYR 4 -6.852 -1.736 0.183 30 HE2 TYR 4 HE2 TYR 4 -7.691 1.903 -1.870 31 HH TYR 4 HH TYR 4 -6.457 -0.290 -2.661 32 H GLY 5 H GLY 5 -10.989 2.641 3.754 33 HA2 GLY 5 HA3 GLY 5 -8.878 4.535 3.657 34 HA3 GLY 5 HA2 GLY 5 -10.268 4.772 4.723 35 H THR 6 H THR 6 -10.010 2.763 6.601 36 HA THR 6 HA THR 6 -7.870 3.643 8.215 37 HB THR 6 HB THR 6 -9.494 1.134 8.379 38 HG1 THR 6 HG1 THR 6 -10.538 3.496 8.303 39 HG21 THR 6 HG21 THR 6 -9.187 1.899 10.891 40 HG22 THR 6 HG22 THR 6 -7.788 2.698 10.152 41 HG23 THR 6 HG23 THR 6 -7.955 0.947 10.005 42 H LEU 7 H LEU 7 -8.433 0.807 6.374 43 HA LEU 7 HA LEU 7 -6.187 -0.796 6.838 44 HB2 LEU 7 HB3 LEU 7 -7.673 -1.569 5.163 45 HB3 LEU 7 HB2 LEU 7 -7.250 -0.245 4.082 46 HG LEU 7 HG LEU 7 -4.957 -1.137 3.992 47 HD11 LEU 7 HD11 LEU 7 -4.934 -3.694 4.547 48 HD12 LEU 7 HD12 LEU 7 -6.089 -3.185 5.760 49 HD13 LEU 7 HD13 LEU 7 -4.467 -2.460 5.704 50 HD21 LEU 7 HD21 LEU 7 -5.456 -2.276 2.129 51 HD22 LEU 7 HD22 LEU 7 -7.104 -1.792 2.518 52 HD23 LEU 7 HD23 LEU 7 -6.536 -3.392 2.976 53 H LEU 8 H LEU 8 -6.232 1.501 4.449 54 HA LEU 8 HA LEU 8 -3.448 1.663 3.755 55 HB2 LEU 8 HB3 LEU 8 -5.351 4.011 3.547 56 HB3 LEU 8 HB2 LEU 8 -3.637 4.027 3.125 57 HG LEU 8 HG LEU 8 -3.949 2.574 1.286 58 HD11 LEU 8 HD11 LEU 8 -5.570 1.068 2.285 59 HD12 LEU 8 HD12 LEU 8 -6.050 1.566 0.670 60 HD13 LEU 8 HD13 LEU 8 -6.822 2.285 2.095 61 HD21 LEU 8 HD21 LEU 8 -4.730 4.168 -0.036 62 HD22 LEU 8 HD22 LEU 8 -5.084 5.067 1.427 63 HD23 LEU 8 HD23 LEU 8 -6.349 4.118 0.679 64 H GLN 9 H GLN 9 -5.222 3.280 6.169 65 HA GLN 9 HA GLN 9 -3.109 4.805 7.246 66 HB2 GLN 9 HB3 GLN 9 -5.161 5.834 7.354 67 HB3 GLN 9 HB2 GLN 9 -5.928 4.307 7.810 68 HG2 GLN 9 HG3 GLN 9 -5.595 4.463 9.754 69 HG3 GLN 9 HG2 GLN 9 -4.000 5.289 9.782 70 HE21 GLN 9 HE22 GLN 9 -4.084 7.393 10.203 71 HE22 GLN 9 HE21 GLN 9 -5.486 8.333 10.526 72 H ASP 10 H ASP 10 -4.143 1.812 7.780 73 HA ASP 10 HA ASP 10 -3.051 1.462 10.458 74 HB2 ASP 10 HB3 ASP 10 -4.316 -0.690 8.802 75 HB3 ASP 10 HB2 ASP 10 -3.313 -1.090 10.176 76 H LEU 11 H LEU 11 -2.083 0.665 7.144 77 HA LEU 11 HA LEU 11 0.280 -0.456 8.142 78 HB2 LEU 11 HB3 LEU 11 0.892 -0.808 5.881 79 HB3 LEU 11 HB2 LEU 11 -0.698 -1.493 6.189 80 HG LEU 11 HG LEU 11 -1.447 0.758 5.102 81 HD11 LEU 11 HD11 LEU 11 0.068 1.861 3.811 82 HD12 LEU 11 HD12 LEU 11 1.116 0.450 3.629 83 HD13 LEU 11 HD13 LEU 11 1.074 1.332 5.155 84 HD21 LEU 11 HD21 LEU 11 -1.027 -1.922 4.205 85 HD22 LEU 11 HD22 LEU 11 -0.551 -0.830 2.901 86 HD23 LEU 11 HD23 LEU 11 -2.166 -0.742 3.564 87 H THR 12 H THR 12 -0.916 2.425 7.036 88 HA THR 12 HA THR 12 1.450 3.959 6.617 89 HB THR 12 HB THR 12 -1.409 4.747 7.157 90 HG1 THR 12 HG1 THR 12 -1.173 4.000 5.177 91 HG21 THR 12 HG21 THR 12 -0.804 6.733 7.611 92 HG22 THR 12 HG22 THR 12 -0.147 6.768 5.940 93 HG23 THR 12 HG23 THR 12 0.931 6.291 7.324 94 H ASN 13 H ASN 13 -0.496 3.266 9.467 95 HA ASN 13 HA ASN 13 0.890 4.938 11.318 96 HB2 ASN 13 HB3 ASN 13 -0.636 2.372 11.839 97 HB3 ASN 13 HB2 ASN 13 0.036 3.334 13.135 98 HD21 ASN 13 HD22 ASN 13 -2.783 2.553 11.905 99 HD22 ASN 13 HD21 ASN 13 -3.633 4.029 12.038 100 H ASN 14 H ASN 14 1.515 1.799 10.035 101 HA ASN 14 HA ASN 14 3.824 1.420 11.796 102 HB2 ASN 14 HB3 ASN 14 2.692 -0.385 9.613 103 HB3 ASN 14 HB2 ASN 14 4.056 -0.789 10.646 104 HD21 ASN 14 HD22 ASN 14 0.772 -1.101 10.306 105 HD22 ASN 14 HD21 ASN 14 0.387 -1.530 11.937 106 H ILE 15 H ILE 15 3.153 2.875 8.932 107 HA ILE 15 HA ILE 15 5.558 2.282 7.587 108 HB ILE 15 HB ILE 15 3.195 3.966 6.989 109 HG12 ILE 15 HG13 ILE 15 3.361 1.647 6.277 110 HG13 ILE 15 HG12 ILE 15 3.147 2.739 4.922 111 HG21 ILE 15 HG21 ILE 15 4.077 5.549 5.849 112 HG22 ILE 15 HG22 ILE 15 4.889 4.359 4.827 113 HG23 ILE 15 HG23 ILE 15 5.708 4.992 6.272 114 HD11 ILE 15 HD11 ILE 15 5.149 2.221 4.025 115 HD12 ILE 15 HD12 ILE 15 5.099 0.801 5.092 116 HD13 ILE 15 HD13 ILE 15 5.934 2.290 5.593 117 H THR 16 H THR 16 7.422 3.038 8.144 118 HA THR 16 HA THR 16 7.772 5.693 9.160 119 HB THR 16 HB THR 16 10.072 5.065 9.471 120 HG1 THR 16 HG1 THR 16 9.620 2.383 8.810 121 HG21 THR 16 HG21 THR 16 9.859 3.493 11.164 122 HG22 THR 16 HG22 THR 16 8.425 2.797 10.367 123 HG23 THR 16 HG23 THR 16 8.341 4.441 11.083 124 H LEU 17 H LEU 17 9.217 6.767 8.137 125 HA LEU 17 HA LEU 17 9.212 7.075 5.290 126 HB2 LEU 17 HB3 LEU 17 11.251 8.041 7.184 127 HB3 LEU 17 HB2 LEU 17 11.607 8.053 5.461 128 HG LEU 17 HG LEU 17 10.784 10.128 6.095 129 HD11 LEU 17 HD11 LEU 17 8.380 9.450 4.742 130 HD12 LEU 17 HD12 LEU 17 9.745 8.530 4.113 131 HD13 LEU 17 HD13 LEU 17 9.823 10.294 4.176 132 HD21 LEU 17 HD21 LEU 17 8.275 10.248 6.771 133 HD22 LEU 17 HD22 LEU 17 9.492 9.967 8.025 134 HD23 LEU 17 HD23 LEU 17 8.552 8.617 7.374 135 H GLU 18 H GLU 18 11.576 5.373 7.235 136 HA GLU 18 HA GLU 18 13.079 4.321 5.109 137 HB2 GLU 18 HB3 GLU 18 12.706 3.110 7.870 138 HB3 GLU 18 HB2 GLU 18 14.018 2.759 6.756 139 HG2 GLU 18 HG3 GLU 18 14.795 5.045 6.883 140 HG3 GLU 18 HG2 GLU 18 13.450 5.463 7.940 141 H ASP 19 H ASP 19 10.588 2.852 6.867 142 HA ASP 19 HA ASP 19 10.425 0.484 5.398 143 HB2 ASP 19 HB3 ASP 19 8.175 1.858 6.918 144 HB3 ASP 19 HB2 ASP 19 7.917 0.267 6.122 145 H LEU 20 H LEU 20 8.479 3.323 4.765 146 HA LEU 20 HA LEU 20 7.618 2.612 2.304 147 HB2 LEU 20 HB3 LEU 20 8.294 5.320 3.180 148 HB3 LEU 20 HB2 LEU 20 7.852 5.040 1.509 149 HG LEU 20 HG LEU 20 6.133 4.397 3.886 150 HD11 LEU 20 HD11 LEU 20 6.684 6.799 2.431 151 HD12 LEU 20 HD12 LEU 20 5.509 6.536 3.705 152 HD13 LEU 20 HD13 LEU 20 5.054 6.279 2.020 153 HD21 LEU 20 HD21 LEU 20 4.796 3.174 2.490 154 HD22 LEU 20 HD22 LEU 20 6.074 3.271 1.283 155 HD23 LEU 20 HD23 LEU 20 4.796 4.457 1.284 156 H GLU 21 H GLU 21 10.753 3.962 2.932 157 HA GLU 21 HA GLU 21 11.735 4.411 0.379 158 HB2 GLU 21 HB3 GLU 21 13.189 3.075 2.694 159 HB3 GLU 21 HB2 GLU 21 13.975 3.643 1.236 160 HG2 GLU 21 HG3 GLU 21 12.397 5.395 3.021 161 HG3 GLU 21 HG2 GLU 21 14.106 5.083 3.373 162 H GLN 22 H GLN 22 11.467 1.671 2.244 163 HA GLN 22 HA GLN 22 12.743 -0.222 0.550 164 HB2 GLN 22 HB3 GLN 22 12.680 -0.517 2.970 165 HB3 GLN 22 HB2 GLN 22 10.948 -0.737 2.862 166 HG2 GLN 22 HG3 GLN 22 11.237 -2.726 1.582 167 HG3 GLN 22 HG2 GLN 22 12.980 -2.512 1.600 168 HE21 GLN 22 HE22 GLN 22 10.358 -3.774 3.180 169 HE22 GLN 22 HE21 GLN 22 11.103 -4.167 4.701 170 H LEU 23 H LEU 23 9.208 0.353 1.200 171 HA LEU 23 HA LEU 23 8.297 -1.480 -0.598 172 HB2 LEU 23 HB3 LEU 23 7.263 1.220 0.277 173 HB3 LEU 23 HB2 LEU 23 6.296 0.041 -0.585 174 HG LEU 23 HG LEU 23 7.475 -0.271 2.130 175 HD11 LEU 23 HD11 LEU 23 5.734 1.266 2.316 176 HD12 LEU 23 HD12 LEU 23 4.957 -0.280 2.688 177 HD13 LEU 23 HD13 LEU 23 4.760 0.451 1.097 178 HD21 LEU 23 HD21 LEU 23 6.890 -2.396 2.127 179 HD22 LEU 23 HD22 LEU 23 6.805 -2.238 0.377 180 HD23 LEU 23 HD23 LEU 23 5.333 -2.076 1.342 181 H LYS 24 H LYS 24 9.237 1.686 -0.867 182 HA LYS 24 HA LYS 24 8.626 2.194 -3.642 183 HB2 LYS 24 HB3 LYS 24 10.878 3.534 -2.152 184 HB3 LYS 24 HB2 LYS 24 10.251 4.035 -3.704 185 HG2 LYS 24 HG3 LYS 24 8.647 4.128 -1.107 186 HG3 LYS 24 HG2 LYS 24 9.480 5.501 -1.819 187 HD2 LYS 24 HD3 LYS 24 7.249 5.753 -2.171 188 HD3 LYS 24 HD2 LYS 24 7.863 5.208 -3.721 189 HE2 LYS 24 HE3 LYS 24 6.500 3.411 -1.698 190 HE3 LYS 24 HE2 LYS 24 5.644 4.266 -2.962 191 HZ1 LYS 24 HZ1 LYS 24 5.900 2.284 -3.908 192 HZ2 LYS 24 HZ2 LYS 24 7.325 1.902 -3.093 193 HZ3 LYS 24 HZ3 LYS 24 7.364 2.957 -4.425 194 H SER 25 H SER 25 11.216 1.302 -2.284 195 HA SER 25 HA SER 25 13.131 0.690 -4.367 196 HB2 SER 25 HB3 SER 25 13.139 -0.838 -1.721 197 HB3 SER 25 HB2 SER 25 14.437 -0.940 -2.931 198 HG SER 25 HG SER 25 13.558 1.342 -1.502 199 H ALA 26 H ALA 26 10.997 -1.341 -2.838 200 HA ALA 26 HA ALA 26 11.153 -3.518 -4.708 201 HB1 ALA 26 HB1 ALA 26 9.987 -4.415 -2.982 202 HB2 ALA 26 HB2 ALA 26 8.563 -3.705 -3.749 203 HB3 ALA 26 HB3 ALA 26 9.393 -2.849 -2.467 204 H CYS 27 H CYS 27 8.876 -0.775 -4.479 205 HA CYS 27 HA CYS 27 7.541 -1.398 -6.857 206 HB2 CYS 27 HB3 CYS 27 7.749 1.228 -5.471 207 HB3 CYS 27 HB2 CYS 27 6.632 0.745 -6.733 208 HG CYS 27 HG CYS 27 5.492 -1.223 -5.084 209 H LYS 28 H LYS 28 10.655 -0.255 -6.715 210 HA LYS 28 HA LYS 28 10.680 2.114 -7.979 211 HB2 LYS 28 HB3 LYS 28 13.015 1.675 -8.591 212 HB3 LYS 28 HB2 LYS 28 12.623 1.009 -6.998 213 HG2 LYS 28 HG3 LYS 28 12.433 -1.207 -7.937 214 HG3 LYS 28 HG2 LYS 28 12.813 -0.559 -9.536 215 HD2 LYS 28 HD3 LYS 28 14.995 0.195 -8.703 216 HD3 LYS 28 HD2 LYS 28 14.601 -0.462 -7.116 217 HE2 LYS 28 HE3 LYS 28 14.362 -2.700 -8.130 218 HE3 LYS 28 HE2 LYS 28 14.822 -2.015 -9.678 219 HZ1 LYS 28 HZ1 LYS 28 16.930 -2.314 -9.172 220 HZ2 LYS 28 HZ2 LYS 28 16.497 -2.984 -7.692 221 HZ3 LYS 28 HZ3 LYS 28 16.797 -1.322 -7.773 222 H GLU 29 H GLU 29 10.434 -0.913 -9.573 223 HA GLU 29 HA GLU 29 10.560 0.192 -12.156 224 HB2 GLU 29 HB3 GLU 29 9.790 -2.527 -11.214 225 HB3 GLU 29 HB2 GLU 29 9.987 -2.104 -12.916 226 HG2 GLU 29 HG3 GLU 29 12.304 -1.417 -12.497 227 HG3 GLU 29 HG2 GLU 29 12.159 -1.850 -10.809 228 H ASP 30 H ASP 30 7.897 -0.569 -9.982 229 HA ASP 30 HA ASP 30 5.836 -0.138 -12.010 230 HB2 ASP 30 HB3 ASP 30 5.654 -0.616 -9.056 231 HB3 ASP 30 HB2 ASP 30 4.256 -0.186 -10.015 232 H ILE 31 H ILE 31 6.912 1.640 -9.161 233 HA ILE 31 HA ILE 31 5.099 3.778 -9.951 234 HB ILE 31 HB ILE 31 5.038 2.803 -7.580 235 HG12 ILE 31 HG13 ILE 31 4.171 5.064 -8.054 236 HG13 ILE 31 HG12 ILE 31 4.671 4.800 -6.376 237 HG21 ILE 31 HG21 ILE 31 7.450 2.589 -7.382 238 HG22 ILE 31 HG22 ILE 31 6.536 3.249 -5.995 239 HG23 ILE 31 HG23 ILE 31 7.493 4.337 -7.029 240 HD11 ILE 31 HD11 ILE 31 5.304 6.998 -7.887 241 HD12 ILE 31 HD12 ILE 31 6.699 5.918 -8.117 242 HD13 ILE 31 HD13 ILE 31 6.185 6.405 -6.479 243 HA PRO 32 HA PRO 32 8.441 5.671 -11.785 244 HB2 PRO 32 HB2 PRO 32 7.145 8.312 -11.387 245 HB3 PRO 32 HB3 PRO 32 7.694 7.541 -12.881 246 HG2 PRO 32 HG3 PRO 32 5.088 7.638 -12.245 247 HG3 PRO 32 HG2 PRO 32 5.797 6.228 -13.064 248 HD2 PRO 32 HD3 PRO 32 5.106 6.614 -10.186 249 HD3 PRO 32 HD2 PRO 32 4.873 5.160 -11.210 250 H SER 33 H SER 33 10.115 6.492 -11.366 251 HA SER 33 HA SER 33 11.318 6.784 -8.812 252 HB2 SER 33 HB3 SER 33 12.800 6.500 -10.776 253 HB3 SER 33 HB2 SER 33 12.457 8.144 -11.293 254 HG SER 33 HG SER 33 13.358 8.521 -8.893 255 H GLU 34 H GLU 34 10.500 9.267 -10.926 256 HA GLU 34 HA GLU 34 10.879 11.705 -9.639 257 HB2 GLU 34 HB3 GLU 34 9.808 11.575 -11.848 258 HB3 GLU 34 HB2 GLU 34 8.313 11.057 -11.127 259 HG2 GLU 34 HG3 GLU 34 8.360 13.256 -9.826 260 HG3 GLU 34 HG2 GLU 34 9.663 13.732 -10.939 261 H LYS 35 H LYS 35 8.212 9.783 -9.387 262 HA LYS 35 HA LYS 35 6.926 11.237 -7.289 263 HB2 LYS 35 HB3 LYS 35 6.148 8.679 -8.652 264 HB3 LYS 35 HB2 LYS 35 5.180 9.399 -7.376 265 HG2 LYS 35 HG3 LYS 35 6.011 10.962 -9.791 266 HG3 LYS 35 HG2 LYS 35 4.497 10.056 -9.674 267 HD2 LYS 35 HD3 LYS 35 3.754 11.242 -7.815 268 HD3 LYS 35 HD2 LYS 35 5.330 11.965 -7.522 269 HE2 LYS 35 HE3 LYS 35 3.593 12.566 -9.927 270 HE3 LYS 35 HE2 LYS 35 3.626 13.523 -8.439 271 HZ1 LYS 35 HZ1 LYS 35 5.995 13.785 -8.754 272 HZ2 LYS 35 HZ2 LYS 35 5.098 14.556 -9.949 273 HZ3 LYS 35 HZ3 LYS 35 5.890 13.130 -10.351 274 H SER 36 H SER 36 8.385 8.011 -7.299 275 HA SER 36 HA SER 36 8.137 7.428 -4.681 276 HB2 SER 36 HB3 SER 36 9.028 5.939 -6.328 277 HB3 SER 36 HB2 SER 36 10.485 6.937 -6.535 278 HG SER 36 HG SER 36 10.691 6.532 -4.154 279 H GLU 37 H GLU 37 10.052 9.689 -6.085 280 HA GLU 37 HA GLU 37 12.078 10.213 -4.204 281 HB2 GLU 37 HB3 GLU 37 10.750 12.395 -5.795 282 HB3 GLU 37 HB2 GLU 37 12.296 12.546 -4.965 283 HG2 GLU 37 HG3 GLU 37 11.672 10.632 -7.118 284 HG3 GLU 37 HG2 GLU 37 12.440 12.205 -7.432 285 H GLU 38 H GLU 38 8.852 12.000 -4.542 286 HA GLU 38 HA GLU 38 9.069 13.280 -2.127 287 HB2 GLU 38 HB3 GLU 38 7.002 14.239 -2.986 288 HB3 GLU 38 HB2 GLU 38 8.333 14.317 -4.147 289 HG2 GLU 38 HG3 GLU 38 7.333 12.332 -5.334 290 HG3 GLU 38 HG2 GLU 38 6.025 12.367 -4.202 291 H ILE 39 H ILE 39 8.552 10.200 -2.150 292 HA ILE 39 HA ILE 39 5.967 10.270 -0.934 293 HB ILE 39 HB ILE 39 7.624 7.931 -1.836 294 HG12 ILE 39 HG13 ILE 39 4.887 8.932 -2.605 295 HG13 ILE 39 HG12 ILE 39 6.389 9.316 -3.476 296 HG21 ILE 39 HG21 ILE 39 4.945 7.850 -0.416 297 HG22 ILE 39 HG22 ILE 39 6.452 7.243 0.271 298 HG23 ILE 39 HG23 ILE 39 5.759 6.474 -1.167 299 HD11 ILE 39 HD11 ILE 39 5.328 6.565 -3.022 300 HD12 ILE 39 HD12 ILE 39 6.481 7.139 -4.243 301 HD13 ILE 39 HD13 ILE 39 4.790 7.655 -4.318 302 H THR 40 H THR 40 6.991 11.686 0.539 303 HA THR 40 HA THR 40 8.366 10.464 2.750 304 HB THR 40 HB THR 40 9.130 12.540 1.975 305 HG1 THR 40 HG1 THR 40 7.966 12.562 4.515 306 HG21 THR 40 HG21 THR 40 7.852 14.168 1.217 307 HG22 THR 40 HG22 THR 40 6.968 14.326 2.751 308 HG23 THR 40 HG23 THR 40 6.490 13.115 1.546 309 H THR 41 H THR 41 5.494 9.866 2.277 310 HA THR 41 HA THR 41 4.953 9.377 4.906 311 HB THR 41 HB THR 41 4.126 11.531 5.156 312 HG1 THR 41 HG1 THR 41 2.590 10.705 6.363 313 HG21 THR 41 HG21 THR 41 2.160 11.066 2.916 314 HG22 THR 41 HG22 THR 41 3.560 12.126 2.842 315 HG23 THR 41 HG23 THR 41 2.198 12.508 3.917 316 H GLY 42 H GLY 42 3.298 7.990 5.253 317 HA2 GLY 42 HA3 GLY 42 3.235 6.024 3.194 318 HA3 GLY 42 HA2 GLY 42 2.220 5.931 4.645 319 H SER 43 H SER 43 0.488 8.092 4.423 320 HA SER 43 HA SER 43 -1.345 7.433 2.647 321 HB2 SER 43 HB3 SER 43 -0.632 10.127 3.803 322 HB3 SER 43 HB2 SER 43 -2.200 9.688 3.130 323 HG SER 43 HG SER 43 -2.697 8.752 4.906 324 H ALA 44 H ALA 44 1.297 9.549 2.265 325 HA ALA 44 HA ALA 44 0.681 10.930 -0.103 326 HB1 ALA 44 HB1 ALA 44 2.851 11.655 -0.295 327 HB2 ALA 44 HB2 ALA 44 3.523 10.051 -0.019 328 HB3 ALA 44 HB3 ALA 44 2.941 10.995 1.342 329 H TRP 45 H TRP 45 2.437 7.863 0.137 330 HA TRP 45 HA TRP 45 2.557 7.349 -2.629 331 HB2 TRP 45 HB3 TRP 45 3.918 6.172 -0.871 332 HB3 TRP 45 HB2 TRP 45 2.447 5.345 -0.376 333 HD1 TRP 45 HD1 TRP 45 3.906 5.800 -3.951 334 HE1 TRP 45 HE1 TRP 45 3.896 3.387 -5.028 335 HE3 TRP 45 HE3 TRP 45 2.333 3.097 0.023 336 HZ2 TRP 45 HZ2 TRP 45 3.386 0.842 -4.278 337 HZ3 TRP 45 HZ3 TRP 45 2.120 0.705 -0.196 338 HH2 TRP 45 HH2 TRP 45 2.649 -0.413 -2.349 339 H PHE 46 H PHE 46 0.175 6.293 -0.231 340 HA PHE 46 HA PHE 46 -1.283 4.882 -2.141 341 HB2 PHE 46 HB3 PHE 46 -2.269 6.330 0.301 342 HB3 PHE 46 HB2 PHE 46 -3.279 5.292 -0.717 343 HD1 PHE 46 HD1 PHE 46 -2.201 2.990 -1.219 344 HD2 PHE 46 HD2 PHE 46 -1.402 5.403 2.228 345 HE1 PHE 46 HE1 PHE 46 -1.618 0.974 0.047 346 HE2 PHE 46 HE2 PHE 46 -0.862 3.397 3.504 347 HZ PHE 46 HZ PHE 46 -0.964 1.151 2.341 348 H SER 47 H SER 47 -1.588 7.978 -1.035 349 HA SER 47 HA SER 47 -3.625 8.907 -2.782 350 HB2 SER 47 HB3 SER 47 -1.570 10.639 -1.464 351 HB3 SER 47 HB2 SER 47 -3.003 11.248 -2.309 352 HG SER 47 HG SER 47 -4.131 9.637 -0.925 353 H PHE 48 H PHE 48 -0.269 8.770 -3.523 354 HA PHE 48 HA PHE 48 -0.474 10.126 -6.045 355 HB2 PHE 48 HB3 PHE 48 1.718 9.799 -5.061 356 HB3 PHE 48 HB2 PHE 48 1.441 8.066 -4.951 357 HD1 PHE 48 HD1 PHE 48 1.291 10.720 -7.566 358 HD2 PHE 48 HD2 PHE 48 2.296 6.811 -6.433 359 HE1 PHE 48 HE1 PHE 48 2.051 10.299 -9.850 360 HE2 PHE 48 HE2 PHE 48 3.125 6.342 -8.744 361 HZ PHE 48 HZ PHE 48 2.978 8.140 -10.451 362 H LEU 49 H LEU 49 -0.298 6.708 -4.976 363 HA LEU 49 HA LEU 49 -0.599 5.418 -7.276 364 HB2 LEU 49 HB3 LEU 49 -0.082 4.936 -4.883 365 HB3 LEU 49 HB2 LEU 49 -1.819 4.642 -4.674 366 HG LEU 49 HG LEU 49 -1.513 2.542 -6.218 367 HD11 LEU 49 HD11 LEU 49 0.271 2.439 -7.499 368 HD12 LEU 49 HD12 LEU 49 1.320 2.657 -6.103 369 HD13 LEU 49 HD13 LEU 49 0.711 4.060 -6.989 370 HD21 LEU 49 HD21 LEU 49 0.203 1.459 -4.669 371 HD22 LEU 49 HD22 LEU 49 -1.266 2.076 -3.931 372 HD23 LEU 49 HD23 LEU 49 0.211 2.998 -3.796 373 H GLU 50 H GLU 50 -3.043 6.177 -4.914 374 HA GLU 50 HA GLU 50 -5.581 5.691 -5.978 375 HB2 GLU 50 HB3 GLU 50 -5.006 8.323 -4.578 376 HB3 GLU 50 HB2 GLU 50 -6.611 7.693 -4.886 377 HG2 GLU 50 HG3 GLU 50 -6.168 5.909 -3.255 378 HG3 GLU 50 HG2 GLU 50 -4.558 6.564 -2.973 379 H SER 51 H SER 51 -3.940 8.326 -6.319 380 HA SER 51 HA SER 51 -5.485 9.968 -8.147 381 HB2 SER 51 HB3 SER 51 -2.451 10.196 -8.099 382 HB3 SER 51 HB2 SER 51 -3.557 11.359 -8.844 383 HG SER 51 HG SER 51 -3.398 10.622 -6.125 384 H HIS 52 H HIS 52 -3.226 7.457 -8.819 385 HA HIS 52 HA HIS 52 -3.905 7.660 -11.649 386 HB2 HIS 52 HB3 HIS 52 -1.579 6.282 -10.349 387 HB3 HIS 52 HB2 HIS 52 -1.905 6.060 -12.100 388 HD1 HIS 52 HD1 HIS 52 0.312 7.238 -12.819 389 HD2 HIS 52 HD2 HIS 52 -1.881 9.205 -9.997 390 HE1 HIS 52 HE1 HIS 52 1.497 9.450 -12.579 391 H ASN 53 H ASN 53 -3.932 5.369 -12.697 392 HA ASN 53 HA ASN 53 -6.017 3.951 -11.256 393 HB2 ASN 53 HB3 ASN 53 -4.969 3.449 -14.076 394 HB3 ASN 53 HB2 ASN 53 -6.308 2.614 -13.320 395 HD21 ASN 53 HD22 ASN 53 -5.664 4.875 -15.539 396 HD22 ASN 53 HD21 ASN 53 -7.062 5.859 -15.368 397 H LYS 54 H LYS 54 -3.682 3.672 -9.899 398 HA LYS 54 HA LYS 54 -2.887 0.928 -10.575 399 HB2 LYS 54 HB3 LYS 54 -1.425 2.638 -8.514 400 HB3 LYS 54 HB2 LYS 54 -0.932 1.063 -9.072 401 HG2 LYS 54 HG3 LYS 54 -0.703 3.700 -10.547 402 HG3 LYS 54 HG2 LYS 54 0.503 2.507 -10.022 403 HD2 LYS 54 HD3 LYS 54 -1.520 1.859 -12.143 404 HD3 LYS 54 HD2 LYS 54 0.037 2.587 -12.483 405 HE2 LYS 54 HE3 LYS 54 -0.312 -0.006 -11.009 406 HE3 LYS 54 HE2 LYS 54 -0.039 0.093 -12.748 407 HZ1 LYS 54 HZ1 LYS 54 1.853 0.908 -10.594 408 HZ2 LYS 54 HZ2 LYS 54 2.096 1.224 -12.252 409 HZ3 LYS 54 HZ3 LYS 54 1.957 -0.347 -11.695 410 H LEU 55 H LEU 55 -4.819 2.733 -8.457 411 HA LEU 55 HA LEU 55 -5.614 0.360 -6.983 412 HB2 LEU 55 HB3 LEU 55 -3.589 0.813 -5.827 413 HB3 LEU 55 HB2 LEU 55 -3.906 2.508 -5.700 414 HG LEU 55 HG LEU 55 -5.357 0.366 -4.049 415 HD11 LEU 55 HD11 LEU 55 -3.445 2.164 -2.759 416 HD12 LEU 55 HD12 LEU 55 -2.751 1.009 -3.892 417 HD13 LEU 55 HD13 LEU 55 -3.751 0.438 -2.545 418 HD21 LEU 55 HD21 LEU 55 -5.633 2.369 -2.491 419 HD22 LEU 55 HD22 LEU 55 -6.666 2.352 -3.923 420 HD23 LEU 55 HD23 LEU 55 -5.238 3.376 -3.897 421 H ASP 56 H ASP 56 -7.695 0.561 -7.142 422 HA ASP 56 HA ASP 56 -9.113 2.938 -6.322 423 HB2 ASP 56 HB3 ASP 56 -10.301 0.322 -7.286 424 HB3 ASP 56 HB2 ASP 56 -11.280 1.490 -6.456 425 H LYS 57 H LYS 57 -11.139 2.221 -4.880 426 HA LYS 57 HA LYS 57 -10.309 1.855 -2.220 427 HB2 LYS 57 HB3 LYS 57 -12.625 1.735 -1.612 428 HB3 LYS 57 HB2 LYS 57 -12.507 2.876 -2.934 429 HG2 LYS 57 HG3 LYS 57 -13.258 0.007 -3.167 430 HG3 LYS 57 HG2 LYS 57 -14.436 1.344 -3.141 431 HD2 LYS 57 HD3 LYS 57 -13.477 2.186 -5.206 432 HD3 LYS 57 HD2 LYS 57 -12.223 0.921 -5.027 433 HE2 LYS 57 HE3 LYS 57 -13.977 0.343 -6.790 434 HE3 LYS 57 HE2 LYS 57 -13.675 -0.819 -5.504 435 HZ1 LYS 57 HZ1 LYS 57 -16.063 0.049 -6.303 436 HZ2 LYS 57 HZ2 LYS 57 -15.837 0.975 -4.869 437 HZ3 LYS 57 HZ3 LYS 57 -15.659 -0.703 -4.836 438 H ASP 58 H ASP 58 -11.358 -0.632 -4.575 439 HA ASP 58 HA ASP 58 -11.167 -2.642 -2.477 440 HB2 ASP 58 HB3 ASP 58 -12.394 -2.906 -5.219 441 HB3 ASP 58 HB2 ASP 58 -12.145 -4.258 -4.163 442 H ASN 59 H ASN 59 -9.750 -1.677 -5.331 443 HA ASN 59 HA ASN 59 -8.318 -4.162 -5.549 444 HB2 ASN 59 HB3 ASN 59 -8.069 -1.614 -7.166 445 HB3 ASN 59 HB2 ASN 59 -7.281 -3.164 -7.537 446 HD21 ASN 59 HD22 ASN 59 -10.072 -1.328 -7.862 447 HD22 ASN 59 HD21 ASN 59 -11.099 -2.569 -8.478 448 H LEU 60 H LEU 60 -6.766 -4.628 -4.687 449 HA LEU 60 HA LEU 60 -4.929 -2.724 -3.400 450 HB2 LEU 60 HB3 LEU 60 -4.868 -4.062 -1.415 451 HB3 LEU 60 HB2 LEU 60 -6.523 -3.651 -1.805 452 HG LEU 60 HG LEU 60 -5.216 -6.378 -2.139 453 HD11 LEU 60 HD11 LEU 60 -5.679 -6.524 0.023 454 HD12 LEU 60 HD12 LEU 60 -7.370 -6.648 -0.498 455 HD13 LEU 60 HD13 LEU 60 -6.704 -5.081 -0.037 456 HD21 LEU 60 HD21 LEU 60 -7.915 -6.792 -2.315 457 HD22 LEU 60 HD22 LEU 60 -6.787 -6.742 -3.685 458 HD23 LEU 60 HD23 LEU 60 -7.676 -5.289 -3.216 459 H SER 61 H SER 61 -5.238 -5.540 -5.065 460 HA SER 61 HA SER 61 -3.088 -7.082 -4.484 461 HB2 SER 61 HB3 SER 61 -4.071 -6.686 -7.307 462 HB3 SER 61 HB2 SER 61 -3.175 -8.087 -6.694 463 HG SER 61 HG SER 61 -4.846 -8.649 -5.436 464 H TYR 62 H TYR 62 -2.937 -4.293 -6.329 465 HA TYR 62 HA TYR 62 -0.302 -4.257 -7.371 466 HB2 TYR 62 HB3 TYR 62 -1.904 -2.360 -7.776 467 HB3 TYR 62 HB2 TYR 62 -1.771 -1.896 -6.084 468 HD1 TYR 62 HD1 TYR 62 0.088 -2.025 -9.264 469 HD2 TYR 62 HD2 TYR 62 0.059 -0.569 -5.268 470 HE1 TYR 62 HE1 TYR 62 2.131 -0.711 -9.679 471 HE2 TYR 62 HE2 TYR 62 2.144 0.558 -5.650 472 HH TYR 62 HH TYR 62 4.081 0.086 -8.215 473 H ILE 63 H ILE 63 -1.554 -3.144 -4.318 474 HA ILE 63 HA ILE 63 0.998 -2.529 -3.126 475 HB ILE 63 HB ILE 63 -0.149 -1.512 -1.360 476 HG12 ILE 63 HG13 ILE 63 -2.739 -2.695 -2.340 477 HG13 ILE 63 HG12 ILE 63 -1.836 -3.422 -1.018 478 HG21 ILE 63 HG21 ILE 63 -1.244 -1.260 -3.996 479 HG22 ILE 63 HG22 ILE 63 -0.241 -0.131 -3.036 480 HG23 ILE 63 HG23 ILE 63 -1.968 -0.370 -2.661 481 HD11 ILE 63 HD11 ILE 63 -3.092 -2.082 0.226 482 HD12 ILE 63 HD12 ILE 63 -3.378 -0.923 -1.111 483 HD13 ILE 63 HD13 ILE 63 -1.826 -0.929 -0.261 484 H GLU 64 H GLU 64 -1.161 -5.095 -3.154 485 HA GLU 64 HA GLU 64 -0.543 -6.286 -0.605 486 HB2 GLU 64 HB3 GLU 64 -2.591 -6.866 -1.971 487 HB3 GLU 64 HB2 GLU 64 -1.537 -7.606 -3.147 488 HG2 GLU 64 HG3 GLU 64 -0.843 -9.276 -1.496 489 HG3 GLU 64 HG2 GLU 64 -1.889 -8.473 -0.308 490 H HIS 65 H HIS 65 0.509 -7.022 -3.928 491 HA HIS 65 HA HIS 65 2.753 -8.613 -3.439 492 HB2 HIS 65 HB3 HIS 65 1.670 -8.021 -5.577 493 HB3 HIS 65 HB2 HIS 65 2.170 -6.349 -5.320 494 HD1 HIS 65 HD1 HIS 65 3.876 -9.749 -5.714 495 HD2 HIS 65 HD2 HIS 65 4.335 -5.721 -6.586 496 HE1 HIS 65 HE1 HIS 65 5.965 -9.638 -7.073 497 H ILE 66 H ILE 66 2.816 -5.222 -3.827 498 HA ILE 66 HA ILE 66 5.335 -4.745 -3.268 499 HB ILE 66 HB ILE 66 3.188 -3.130 -1.992 500 HG12 ILE 66 HG13 ILE 66 2.889 -3.518 -4.191 501 HG13 ILE 66 HG12 ILE 66 3.190 -1.746 -4.127 502 HG21 ILE 66 HG21 ILE 66 6.139 -2.320 -2.434 503 HG22 ILE 66 HG22 ILE 66 5.272 -2.323 -0.934 504 HG23 ILE 66 HG23 ILE 66 4.879 -1.137 -2.144 505 HD11 ILE 66 HD11 ILE 66 4.308 -2.369 -5.942 506 HD12 ILE 66 HD12 ILE 66 4.595 -4.033 -5.387 507 HD13 ILE 66 HD13 ILE 66 5.604 -2.716 -4.768 508 H PHE 67 H PHE 67 2.831 -5.153 -0.616 509 HA PHE 67 HA PHE 67 4.757 -4.868 1.212 510 HB2 PHE 67 HB3 PHE 67 2.027 -6.077 1.466 511 HB3 PHE 67 HB2 PHE 67 3.103 -5.646 2.802 512 HD1 PHE 67 HD1 PHE 67 4.068 -3.146 2.567 513 HD2 PHE 67 HD2 PHE 67 0.468 -4.626 0.963 514 HE1 PHE 67 HE1 PHE 67 3.196 -0.828 2.439 515 HE2 PHE 67 HE2 PHE 67 -0.432 -2.355 0.829 516 HZ PHE 67 HZ PHE 67 0.931 -0.437 1.575 517 H GLU 68 H GLU 68 3.930 -7.785 -0.742 518 HA GLU 68 HA GLU 68 4.977 -9.585 1.194 519 HB2 GLU 68 HB3 GLU 68 3.443 -10.431 -0.503 520 HB3 GLU 68 HB2 GLU 68 4.455 -9.800 -1.789 521 HG2 GLU 68 HG3 GLU 68 6.261 -11.313 -1.080 522 HG3 GLU 68 HG2 GLU 68 5.195 -11.957 0.161 523 H ILE 69 H ILE 69 6.037 -8.233 -1.901 524 HA ILE 69 HA ILE 69 8.476 -9.333 -1.880 525 HB ILE 69 HB ILE 69 9.157 -7.751 -3.602 526 HG12 ILE 69 HG13 ILE 69 6.466 -6.457 -3.092 527 HG13 ILE 69 HG12 ILE 69 8.047 -5.720 -2.791 528 HG21 ILE 69 HG21 ILE 69 7.589 -8.557 -5.198 529 HG22 ILE 69 HG22 ILE 69 6.357 -8.714 -3.969 530 HG23 ILE 69 HG23 ILE 69 7.771 -9.793 -3.945 531 HD11 ILE 69 HD11 ILE 69 6.526 -5.683 -5.105 532 HD12 ILE 69 HD12 ILE 69 7.892 -6.773 -5.365 533 HD13 ILE 69 HD13 ILE 69 8.209 -5.092 -4.874 534 H SER 70 H SER 70 7.544 -6.383 -0.424 535 HA SER 70 HA SER 70 10.244 -5.656 0.285 536 HB2 SER 70 HB3 SER 70 8.654 -3.912 -0.294 537 HB3 SER 70 HB2 SER 70 7.566 -4.454 0.988 538 HG SER 70 HG SER 70 8.966 -2.620 1.466 539 H ARG 71 H ARG 71 10.991 -5.815 2.367 540 HA ARG 71 HA ARG 71 9.898 -7.907 3.916 541 HB2 ARG 71 HB3 ARG 71 12.306 -6.198 4.412 542 HB3 ARG 71 HB2 ARG 71 11.850 -7.550 5.451 543 HG2 ARG 71 HG3 ARG 71 12.427 -7.673 2.539 544 HG3 ARG 71 HG2 ARG 71 13.564 -8.184 3.801 545 HD2 ARG 71 HD3 ARG 71 11.862 -9.897 4.483 546 HD3 ARG 71 HD2 ARG 71 10.813 -9.373 3.168 547 HE ARG 71 HE ARG 71 12.026 -10.578 1.751 548 HH11 ARG 71 HH11 ARG 71 13.950 -10.386 4.786 549 HH12 ARG 71 HH12 ARG 71 15.329 -11.075 4.086 550 HH21 ARG 71 HH22 ARG 71 14.065 -11.586 0.860 551 HH22 ARG 71 HH21 ARG 71 15.411 -11.693 1.921 552 H ARG 72 H ARG 72 7.982 -6.578 4.055 553 HA ARG 72 HA ARG 72 7.549 -5.529 6.732 554 HB2 ARG 72 HB3 ARG 72 6.968 -4.048 4.184 555 HB3 ARG 72 HB2 ARG 72 5.895 -3.854 5.552 556 HG2 ARG 72 HG3 ARG 72 8.825 -3.363 5.764 557 HG3 ARG 72 HG2 ARG 72 7.692 -2.111 5.187 558 HD2 ARG 72 HD3 ARG 72 8.072 -1.787 7.523 559 HD3 ARG 72 HD2 ARG 72 6.441 -2.417 7.295 560 HE ARG 72 HE ARG 72 6.998 -4.190 8.641 561 HH11 ARG 72 HH11 ARG 72 9.952 -2.455 7.925 562 HH12 ARG 72 HH12 ARG 72 10.976 -3.663 8.595 563 HH21 ARG 72 HH22 ARG 72 8.217 -5.671 9.602 564 HH22 ARG 72 HH21 ARG 72 9.951 -5.585 9.671 565 HA PRO 73 HA PRO 73 4.568 -8.739 5.008 566 HB2 PRO 73 HB2 PRO 73 4.888 -10.523 7.026 567 HB3 PRO 73 HB3 PRO 73 5.895 -10.518 5.561 568 HG2 PRO 73 HG3 PRO 73 6.395 -9.312 8.228 569 HG3 PRO 73 HG2 PRO 73 7.491 -10.339 7.262 570 HD2 PRO 73 HD3 PRO 73 7.796 -7.679 7.259 571 HD3 PRO 73 HD2 PRO 73 7.968 -8.595 5.770 572 H ASP 74 H ASP 74 5.111 -6.909 7.798 573 HA ASP 74 HA ASP 74 2.956 -7.605 9.531 574 HB2 ASP 74 HB3 ASP 74 4.241 -4.883 9.160 575 HB3 ASP 74 HB2 ASP 74 3.573 -5.586 10.630 576 H LEU 75 H LEU 75 3.614 -5.211 7.340 577 HA LEU 75 HA LEU 75 1.035 -3.984 7.165 578 HB2 LEU 75 HB3 LEU 75 3.291 -3.745 5.183 579 HB3 LEU 75 HB2 LEU 75 1.782 -2.879 5.006 580 HG LEU 75 HG LEU 75 2.285 -1.547 7.082 581 HD11 LEU 75 HD11 LEU 75 5.039 -2.642 7.198 582 HD12 LEU 75 HD12 LEU 75 3.768 -3.532 8.010 583 HD13 LEU 75 HD13 LEU 75 4.072 -1.855 8.442 584 HD21 LEU 75 HD21 LEU 75 3.254 -1.228 4.654 585 HD22 LEU 75 HD22 LEU 75 4.774 -1.440 5.525 586 HD23 LEU 75 HD23 LEU 75 3.665 -0.161 5.987 587 H LEU 76 H LEU 76 2.604 -6.107 5.162 588 HA LEU 76 HA LEU 76 0.690 -6.834 3.128 589 HB2 LEU 76 HB3 LEU 76 2.863 -8.166 3.363 590 HB3 LEU 76 HB2 LEU 76 2.019 -9.047 4.674 591 HG LEU 76 HG LEU 76 0.237 -9.405 2.914 592 HD11 LEU 76 HD11 LEU 76 1.514 -7.952 1.293 593 HD12 LEU 76 HD12 LEU 76 0.411 -9.249 0.852 594 HD13 LEU 76 HD13 LEU 76 2.139 -9.530 0.806 595 HD21 LEU 76 HD21 LEU 76 1.914 -11.392 2.026 596 HD22 LEU 76 HD22 LEU 76 0.865 -11.417 3.450 597 HD23 LEU 76 HD23 LEU 76 2.575 -10.956 3.597 598 H THR 77 H THR 77 1.088 -8.272 6.175 599 HA THR 77 HA THR 77 -1.097 -9.866 6.525 600 HB THR 77 HB THR 77 0.378 -8.208 8.493 601 HG1 THR 77 HG1 THR 77 1.701 -9.692 7.745 602 HG21 THR 77 HG21 THR 77 -1.943 -9.850 8.817 603 HG22 THR 77 HG22 THR 77 -1.259 -8.580 9.838 604 HG23 THR 77 HG23 THR 77 -0.616 -10.260 9.956 605 H MET 78 H MET 78 -0.851 -6.467 7.322 606 HA MET 78 HA MET 78 -3.460 -6.152 8.268 607 HB2 MET 78 HB3 MET 78 -1.705 -4.046 6.950 608 HB3 MET 78 HB2 MET 78 -3.170 -3.729 7.847 609 HG2 MET 78 HG3 MET 78 -0.897 -5.204 9.035 610 HG3 MET 78 HG2 MET 78 -0.954 -3.428 9.129 611 HE1 MET 78 HE1 MET 78 -4.077 -6.302 10.770 612 HE2 MET 78 HE2 MET 78 -2.486 -6.849 11.301 613 HE3 MET 78 HE3 MET 78 -2.844 -6.666 9.575 614 H VAL 79 H VAL 79 -2.179 -6.044 5.002 615 HA VAL 79 HA VAL 79 -4.571 -5.220 3.652 616 HB VAL 79 HB VAL 79 -2.180 -6.792 2.652 617 HG11 VAL 79 HG11 VAL 79 -4.411 -5.412 1.275 618 HG12 VAL 79 HG12 VAL 79 -3.686 -6.976 0.935 619 HG13 VAL 79 HG13 VAL 79 -2.842 -5.498 0.482 620 HG21 VAL 79 HG21 VAL 79 -1.214 -4.899 3.521 621 HG22 VAL 79 HG22 VAL 79 -2.531 -3.834 3.048 622 HG23 VAL 79 HG23 VAL 79 -1.432 -4.467 1.821 623 H VAL 80 H VAL 80 -2.926 -8.311 4.146 624 HA VAL 80 HA VAL 80 -4.810 -10.078 2.982 625 HB VAL 80 HB VAL 80 -2.928 -10.555 5.341 626 HG11 VAL 80 HG11 VAL 80 -3.186 -12.866 5.061 627 HG12 VAL 80 HG12 VAL 80 -4.051 -12.682 3.530 628 HG13 VAL 80 HG13 VAL 80 -4.811 -12.189 5.056 629 HG21 VAL 80 HG21 VAL 80 -1.304 -10.379 3.856 630 HG22 VAL 80 HG22 VAL 80 -2.446 -10.231 2.518 631 HG23 VAL 80 HG23 VAL 80 -1.938 -11.829 3.064 632 H ASP 81 H ASP 81 -4.447 -9.235 6.178 633 HA ASP 81 HA ASP 81 -6.806 -10.367 7.159 634 HB2 ASP 81 HB3 ASP 81 -5.170 -8.252 8.545 635 HB3 ASP 81 HB2 ASP 81 -6.707 -8.712 9.242 636 H TYR 82 H TYR 82 -6.380 -7.176 6.015 637 HA TYR 82 HA TYR 82 -8.960 -6.039 6.355 638 HB2 TYR 82 HB3 TYR 82 -7.229 -4.705 5.459 639 HB3 TYR 82 HB2 TYR 82 -7.028 -5.783 4.076 640 HD1 TYR 82 HD2 TYR 82 -9.607 -3.591 5.689 641 HD2 TYR 82 HD1 TYR 82 -7.986 -5.325 2.194 642 HE1 TYR 82 HE2 TYR 82 -11.130 -2.256 4.347 643 HE2 TYR 82 HE1 TYR 82 -9.480 -3.996 0.795 644 HH TYR 82 HH TYR 82 -10.913 -2.193 0.834 645 H ARG 83 H ARG 83 -7.619 -7.920 3.641 646 HA ARG 83 HA ARG 83 -9.771 -8.074 1.962 647 HB2 ARG 83 HB3 ARG 83 -7.642 -8.603 1.185 648 HB3 ARG 83 HB2 ARG 83 -7.292 -9.634 2.540 649 HG2 ARG 83 HG3 ARG 83 -9.237 -10.423 0.421 650 HG3 ARG 83 HG2 ARG 83 -7.481 -10.681 0.210 651 HD2 ARG 83 HD3 ARG 83 -7.575 -11.966 2.367 652 HD3 ARG 83 HD2 ARG 83 -9.342 -11.803 2.291 653 HE ARG 83 HE ARG 83 -8.431 -12.873 -0.111 654 HH11 ARG 83 HH11 ARG 83 -8.801 -13.857 3.318 655 HH12 ARG 83 HH12 ARG 83 -8.898 -15.516 2.932 656 HH21 ARG 83 HH22 ARG 83 -8.458 -15.228 -0.541 657 HH22 ARG 83 HH21 ARG 83 -8.611 -16.301 0.765 658 H THR 84 H THR 84 -8.833 -10.115 4.315 659 HA THR 84 HA THR 84 -11.003 -11.977 4.270 660 HB THR 84 HB THR 84 -9.289 -11.252 6.552 661 HG1 THR 84 HG1 THR 84 -7.841 -11.973 5.116 662 HG21 THR 84 HG21 THR 84 -10.792 -13.720 5.892 663 HG22 THR 84 HG22 THR 84 -11.163 -12.453 7.080 664 HG23 THR 84 HG23 THR 84 -9.725 -13.474 7.336 665 H ARG 85 H ARG 85 -10.328 -9.770 6.533 666 HA ARG 85 HA ARG 85 -12.522 -9.811 8.109 667 HB2 ARG 85 HB3 ARG 85 -11.998 -7.804 9.392 668 HB3 ARG 85 HB2 ARG 85 -10.483 -8.501 8.857 669 HG2 ARG 85 HG3 ARG 85 -10.164 -6.210 8.624 670 HG3 ARG 85 HG2 ARG 85 -10.600 -6.773 6.990 671 HD2 ARG 85 HD3 ARG 85 -11.893 -4.779 7.470 672 HD3 ARG 85 HD2 ARG 85 -12.907 -6.233 7.455 673 HE ARG 85 HE ARG 85 -13.366 -5.988 9.647 674 HH11 ARG 85 HH11 ARG 85 -11.256 -3.289 8.949 675 HH12 ARG 85 HH12 ARG 85 -10.709 -3.048 10.536 676 HH21 ARG 85 HH22 ARG 85 -12.619 -5.669 11.979 677 HH22 ARG 85 HH21 ARG 85 -11.513 -4.397 12.266 678 H VAL 86 H VAL 86 -12.153 -7.631 5.715 679 HA VAL 86 HA VAL 86 -14.772 -6.461 5.594 680 HB VAL 86 HB VAL 86 -12.805 -6.709 3.341 681 HG11 VAL 86 HG11 VAL 86 -14.655 -6.125 2.072 682 HG12 VAL 86 HG12 VAL 86 -14.328 -4.500 2.710 683 HG13 VAL 86 HG13 VAL 86 -15.542 -5.550 3.470 684 HG21 VAL 86 HG21 VAL 86 -13.179 -4.943 5.607 685 HG22 VAL 86 HG22 VAL 86 -12.948 -4.076 4.075 686 HG23 VAL 86 HG23 VAL 86 -11.747 -5.238 4.637 687 H LEU 87 H LEU 87 -13.446 -9.263 4.106 688 HA LEU 87 HA LEU 87 -15.619 -10.120 2.537 689 HB2 LEU 87 HB3 LEU 87 -13.418 -10.920 2.249 690 HB3 LEU 87 HB2 LEU 87 -13.261 -11.256 3.954 691 HG LEU 87 HG LEU 87 -14.488 -13.180 3.809 692 HD11 LEU 87 HD11 LEU 87 -14.947 -12.369 0.877 693 HD12 LEU 87 HD12 LEU 87 -16.199 -12.718 2.069 694 HD13 LEU 87 HD13 LEU 87 -15.195 -14.025 1.413 695 HD21 LEU 87 HD21 LEU 87 -12.066 -12.993 2.984 696 HD22 LEU 87 HD22 LEU 87 -12.730 -13.434 1.404 697 HD23 LEU 87 HD23 LEU 87 -12.914 -14.503 2.791 698 H LYS 88 H LYS 88 -14.550 -10.837 5.795 699 HA LYS 88 HA LYS 88 -16.690 -12.414 6.540 700 HB2 LYS 88 HB3 LYS 88 -14.465 -12.368 7.674 701 HB3 LYS 88 HB2 LYS 88 -14.883 -10.816 8.365 702 HG2 LYS 88 HG3 LYS 88 -15.206 -12.587 9.990 703 HG3 LYS 88 HG2 LYS 88 -16.730 -11.805 9.551 704 HD2 LYS 88 HD3 LYS 88 -17.229 -13.636 7.995 705 HD3 LYS 88 HD2 LYS 88 -15.699 -14.389 8.399 706 HE2 LYS 88 HE3 LYS 88 -17.968 -13.890 10.334 707 HE3 LYS 88 HE2 LYS 88 -17.577 -15.441 9.586 708 HZ1 LYS 88 HZ1 LYS 88 -15.708 -13.929 11.346 709 HZ2 LYS 88 HZ2 LYS 88 -15.546 -15.519 10.737 710 HZ3 LYS 88 HZ3 LYS 88 -16.768 -15.122 11.870 711 H ILE 89 H ILE 89 -16.374 -8.891 6.727 712 HA ILE 89 HA ILE 89 -18.605 -8.448 8.406 713 HB ILE 89 HB ILE 89 -17.041 -6.768 6.457 714 HG12 ILE 89 HG13 ILE 89 -17.043 -6.772 9.483 715 HG13 ILE 89 HG12 ILE 89 -15.763 -7.358 8.408 716 HG21 ILE 89 HG21 ILE 89 -18.172 -4.818 7.670 717 HG22 ILE 89 HG22 ILE 89 -19.441 -6.062 7.916 718 HG23 ILE 89 HG23 ILE 89 -18.845 -5.694 6.277 719 HD11 ILE 89 HD11 ILE 89 -14.908 -5.328 8.127 720 HD12 ILE 89 HD12 ILE 89 -15.850 -4.898 9.556 721 HD13 ILE 89 HD13 ILE 89 -16.485 -4.587 7.929 722 H SER 90 H SER 90 -17.990 -8.310 4.928 723 HA SER 90 HA SER 90 -20.776 -7.763 4.399 724 HB2 SER 90 HB3 SER 90 -18.425 -8.064 2.542 725 HB3 SER 90 HB2 SER 90 -20.070 -7.606 2.042 726 HG SER 90 HG SER 90 -18.766 -6.207 4.084 Start of MODEL 6 1 H1 MET 1 H MET 1 -15.159 0.178 2.191 2 H2 MET 1 H2 MET 1 -16.348 1.064 1.478 3 H3 MET 1 H3 MET 1 -15.449 -0.006 0.562 4 HA MET 1 HA MET 1 -13.646 1.364 0.356 5 HB2 MET 1 HB3 MET 1 -15.769 3.373 1.147 6 HB3 MET 1 HB2 MET 1 -14.301 3.747 0.276 7 HG2 MET 1 HG3 MET 1 -15.064 2.336 -1.584 8 HG3 MET 1 HG2 MET 1 -16.577 2.055 -0.713 9 HE1 MET 1 HE1 MET 1 -18.395 4.181 -0.203 10 HE2 MET 1 HE2 MET 1 -17.806 5.830 -0.453 11 HE3 MET 1 HE3 MET 1 -16.996 4.768 0.689 12 H ALA 2 H ALA 2 -15.416 2.415 3.146 13 HA ALA 2 HA ALA 2 -13.353 3.947 4.322 14 HB1 ALA 2 HB1 ALA 2 -15.083 2.749 6.420 15 HB2 ALA 2 HB2 ALA 2 -15.931 3.591 5.119 16 HB3 ALA 2 HB3 ALA 2 -14.720 4.443 6.078 17 H GLU 3 H GLU 3 -14.154 0.818 5.429 18 HA GLU 3 HA GLU 3 -12.016 0.329 7.013 19 HB2 GLU 3 HB3 GLU 3 -13.234 -1.629 5.091 20 HB3 GLU 3 HB2 GLU 3 -11.963 -2.132 6.199 21 HG2 GLU 3 HG3 GLU 3 -14.564 -0.899 7.011 22 HG3 GLU 3 HG2 GLU 3 -14.229 -2.649 6.990 23 H TYR 4 H TYR 4 -12.041 0.160 3.798 24 HA TYR 4 HA TYR 4 -9.324 -0.616 3.214 25 HB2 TYR 4 HB3 TYR 4 -10.968 -0.454 1.334 26 HB3 TYR 4 HB2 TYR 4 -10.764 1.318 1.344 27 HD1 TYR 4 HD1 TYR 4 -8.638 -1.719 1.451 28 HD2 TYR 4 HD2 TYR 4 -9.373 2.007 -0.478 29 HE1 TYR 4 HE1 TYR 4 -6.758 -2.134 -0.041 30 HE2 TYR 4 HE2 TYR 4 -7.464 1.584 -1.959 31 HH TYR 4 HH TYR 4 -6.307 -0.660 -2.812 32 H GLY 5 H GLY 5 -10.833 2.417 3.460 33 HA2 GLY 5 HA3 GLY 5 -8.712 4.291 3.314 34 HA3 GLY 5 HA2 GLY 5 -10.120 4.592 4.309 35 H THR 6 H THR 6 -9.911 2.622 6.329 36 HA THR 6 HA THR 6 -7.850 3.564 8.025 37 HB THR 6 HB THR 6 -9.396 0.998 8.154 38 HG1 THR 6 HG1 THR 6 -11.024 2.264 9.245 39 HG21 THR 6 HG21 THR 6 -9.354 1.944 10.641 40 HG22 THR 6 HG22 THR 6 -7.907 2.720 9.970 41 HG23 THR 6 HG23 THR 6 -8.050 0.960 9.923 42 H LEU 7 H LEU 7 -8.326 0.714 6.287 43 HA LEU 7 HA LEU 7 -6.125 -0.857 6.865 44 HB2 LEU 7 HB3 LEU 7 -7.560 -1.692 5.142 45 HB3 LEU 7 HB2 LEU 7 -7.087 -0.407 4.047 46 HG LEU 7 HG LEU 7 -4.802 -1.353 4.001 47 HD11 LEU 7 HD11 LEU 7 -4.456 -2.533 5.879 48 HD12 LEU 7 HD12 LEU 7 -4.795 -3.825 4.723 49 HD13 LEU 7 HD13 LEU 7 -6.045 -3.291 5.840 50 HD21 LEU 7 HD21 LEU 7 -6.283 -3.664 3.115 51 HD22 LEU 7 HD22 LEU 7 -5.422 -2.430 2.171 52 HD23 LEU 7 HD23 LEU 7 -7.090 -2.163 2.675 53 H LEU 8 H LEU 8 -6.091 1.359 4.422 54 HA LEU 8 HA LEU 8 -3.309 1.547 3.764 55 HB2 LEU 8 HB3 LEU 8 -5.326 3.791 3.382 56 HB3 LEU 8 HB2 LEU 8 -3.624 3.873 2.973 57 HG LEU 8 HG LEU 8 -3.797 2.322 1.216 58 HD11 LEU 8 HD11 LEU 8 -5.163 0.603 1.215 59 HD12 LEU 8 HD12 LEU 8 -6.524 1.712 1.027 60 HD13 LEU 8 HD13 LEU 8 -5.979 1.245 2.637 61 HD21 LEU 8 HD21 LEU 8 -5.559 3.293 -0.222 62 HD22 LEU 8 HD22 LEU 8 -4.545 4.484 0.583 63 HD23 LEU 8 HD23 LEU 8 -6.188 4.139 1.184 64 H GLN 9 H GLN 9 -5.157 3.211 6.092 65 HA GLN 9 HA GLN 9 -3.110 4.812 7.187 66 HB2 GLN 9 HB3 GLN 9 -5.187 5.775 7.250 67 HB3 GLN 9 HB2 GLN 9 -5.944 4.239 7.656 68 HG2 GLN 9 HG3 GLN 9 -5.606 4.362 9.641 69 HG3 GLN 9 HG2 GLN 9 -4.149 5.408 9.689 70 HE21 GLN 9 HE22 GLN 9 -4.592 7.493 10.071 71 HE22 GLN 9 HE21 GLN 9 -6.155 8.207 10.296 72 H ASP 10 H ASP 10 -4.152 1.801 7.674 73 HA ASP 10 HA ASP 10 -3.337 1.265 10.416 74 HB2 ASP 10 HB3 ASP 10 -4.349 -0.628 8.303 75 HB3 ASP 10 HB2 ASP 10 -3.644 -1.211 9.817 76 H LEU 11 H LEU 11 -2.106 0.634 7.187 77 HA LEU 11 HA LEU 11 0.249 -0.443 8.266 78 HB2 LEU 11 HB3 LEU 11 0.968 -0.740 6.001 79 HB3 LEU 11 HB2 LEU 11 -0.553 -1.570 6.329 80 HG LEU 11 HG LEU 11 -1.508 0.597 5.257 81 HD11 LEU 11 HD11 LEU 11 0.754 0.656 3.468 82 HD12 LEU 11 HD12 LEU 11 1.158 1.120 5.128 83 HD13 LEU 11 HD13 LEU 11 -0.117 1.969 4.273 84 HD21 LEU 11 HD21 LEU 11 -1.870 -0.604 3.321 85 HD22 LEU 11 HD22 LEU 11 -1.468 -1.888 4.471 86 HD23 LEU 11 HD23 LEU 11 -0.239 -1.292 3.347 87 H THR 12 H THR 12 -0.952 2.411 7.157 88 HA THR 12 HA THR 12 1.401 4.021 6.805 89 HB THR 12 HB THR 12 -1.485 4.635 7.240 90 HG1 THR 12 HG1 THR 12 -1.119 4.008 5.243 91 HG21 THR 12 HG21 THR 12 -0.358 6.811 6.198 92 HG22 THR 12 HG22 THR 12 0.704 6.415 7.588 93 HG23 THR 12 HG23 THR 12 -1.069 6.611 7.865 94 H ASN 13 H ASN 13 -0.568 3.205 9.583 95 HA ASN 13 HA ASN 13 0.655 4.967 11.472 96 HB2 ASN 13 HB3 ASN 13 -0.431 2.175 12.068 97 HB3 ASN 13 HB2 ASN 13 -0.025 3.375 13.263 98 HD21 ASN 13 HD22 ASN 13 -2.452 1.876 11.967 99 HD22 ASN 13 HD21 ASN 13 -3.707 3.045 12.013 100 H ASN 14 H ASN 14 1.452 1.881 10.168 101 HA ASN 14 HA ASN 14 3.793 1.566 11.879 102 HB2 ASN 14 HB3 ASN 14 2.559 -0.314 9.815 103 HB3 ASN 14 HB2 ASN 14 4.019 -0.658 10.711 104 HD21 ASN 14 HD22 ASN 14 0.645 -0.916 10.792 105 HD22 ASN 14 HD21 ASN 14 0.524 -1.358 12.455 106 H ILE 15 H ILE 15 3.140 3.098 9.037 107 HA ILE 15 HA ILE 15 5.484 2.372 7.577 108 HB ILE 15 HB ILE 15 3.187 4.217 7.094 109 HG12 ILE 15 HG13 ILE 15 3.098 1.882 6.355 110 HG13 ILE 15 HG12 ILE 15 2.964 3.021 5.021 111 HG21 ILE 15 HG21 ILE 15 5.682 5.139 6.369 112 HG22 ILE 15 HG22 ILE 15 4.103 5.643 5.731 113 HG23 ILE 15 HG23 ILE 15 5.026 4.372 4.918 114 HD11 ILE 15 HD11 ILE 15 5.733 2.339 5.475 115 HD12 ILE 15 HD12 ILE 15 4.761 2.159 4.022 116 HD13 ILE 15 HD13 ILE 15 4.754 0.888 5.232 117 H THR 16 H THR 16 7.361 2.984 8.114 118 HA THR 16 HA THR 16 7.940 5.566 9.237 119 HB THR 16 HB THR 16 10.209 4.727 9.421 120 HG1 THR 16 HG1 THR 16 9.437 2.127 8.717 121 HG21 THR 16 HG21 THR 16 8.456 4.275 11.024 122 HG22 THR 16 HG22 THR 16 9.883 3.200 11.112 123 HG23 THR 16 HG23 THR 16 8.378 2.631 10.287 124 H LEU 17 H LEU 17 9.364 6.708 8.226 125 HA LEU 17 HA LEU 17 9.282 7.199 5.419 126 HB2 LEU 17 HB3 LEU 17 11.636 7.760 7.248 127 HB3 LEU 17 HB2 LEU 17 11.690 8.153 5.552 128 HG LEU 17 HG LEU 17 9.623 9.367 7.432 129 HD11 LEU 17 HD11 LEU 17 11.584 11.204 6.537 130 HD12 LEU 17 HD12 LEU 17 12.461 9.845 7.262 131 HD13 LEU 17 HD13 LEU 17 11.255 10.720 8.196 132 HD21 LEU 17 HD21 LEU 17 8.910 10.483 5.622 133 HD22 LEU 17 HD22 LEU 17 9.697 9.206 4.706 134 HD23 LEU 17 HD23 LEU 17 10.537 10.715 5.006 135 H GLU 18 H GLU 18 11.587 5.276 7.183 136 HA GLU 18 HA GLU 18 12.916 4.195 4.922 137 HB2 GLU 18 HB3 GLU 18 12.716 2.948 7.671 138 HB3 GLU 18 HB2 GLU 18 13.844 2.442 6.421 139 HG2 GLU 18 HG3 GLU 18 14.854 4.697 6.464 140 HG3 GLU 18 HG2 GLU 18 13.763 5.130 7.770 141 H ASP 19 H ASP 19 10.379 2.797 6.734 142 HA ASP 19 HA ASP 19 10.051 0.415 5.162 143 HB2 ASP 19 HB3 ASP 19 7.919 1.887 6.774 144 HB3 ASP 19 HB2 ASP 19 7.529 0.393 5.878 145 H LEU 20 H LEU 20 8.217 3.372 4.716 146 HA LEU 20 HA LEU 20 7.343 2.701 2.259 147 HB2 LEU 20 HB3 LEU 20 8.037 5.351 3.198 148 HB3 LEU 20 HB2 LEU 20 7.629 5.144 1.516 149 HG LEU 20 HG LEU 20 5.878 4.459 3.847 150 HD11 LEU 20 HD11 LEU 20 5.383 6.427 1.695 151 HD12 LEU 20 HD12 LEU 20 6.474 6.862 3.008 152 HD13 LEU 20 HD13 LEU 20 4.807 6.409 3.345 153 HD21 LEU 20 HD21 LEU 20 4.456 3.370 2.414 154 HD22 LEU 20 HD22 LEU 20 5.864 3.230 1.372 155 HD23 LEU 20 HD23 LEU 20 4.736 4.556 1.142 156 H GLU 21 H GLU 21 10.458 4.104 2.898 157 HA GLU 21 HA GLU 21 11.189 4.300 0.202 158 HB2 GLU 21 HB3 GLU 21 12.963 3.913 2.624 159 HB3 GLU 21 HB2 GLU 21 13.570 4.202 1.003 160 HG2 GLU 21 HG3 GLU 21 12.435 6.338 0.897 161 HG3 GLU 21 HG2 GLU 21 11.781 6.086 2.527 162 H GLN 22 H GLN 22 11.255 1.785 2.375 163 HA GLN 22 HA GLN 22 12.642 -0.132 0.807 164 HB2 GLN 22 HB3 GLN 22 12.306 -0.459 3.234 165 HB3 GLN 22 HB2 GLN 22 10.581 -0.749 2.920 166 HG2 GLN 22 HG3 GLN 22 11.584 -2.932 3.114 167 HG3 GLN 22 HG2 GLN 22 11.301 -2.515 1.407 168 HE21 GLN 22 HE22 GLN 22 12.634 -3.074 0.187 169 HE22 GLN 22 HE21 GLN 22 14.361 -3.093 0.351 170 H LEU 23 H LEU 23 9.091 0.415 1.279 171 HA LEU 23 HA LEU 23 8.208 -1.466 -0.492 172 HB2 LEU 23 HB3 LEU 23 7.105 1.236 0.324 173 HB3 LEU 23 HB2 LEU 23 6.202 -0.025 -0.522 174 HG LEU 23 HG LEU 23 7.357 -0.161 2.226 175 HD11 LEU 23 HD11 LEU 23 5.057 0.005 2.977 176 HD12 LEU 23 HD12 LEU 23 4.507 0.103 1.307 177 HD13 LEU 23 HD13 LEU 23 5.476 1.414 1.988 178 HD21 LEU 23 HD21 LEU 23 6.939 -2.324 2.236 179 HD22 LEU 23 HD22 LEU 23 6.591 -2.232 0.511 180 HD23 LEU 23 HD23 LEU 23 5.288 -2.043 1.680 181 H LYS 24 H LYS 24 9.056 1.665 -0.831 182 HA LYS 24 HA LYS 24 8.493 2.091 -3.652 183 HB2 LYS 24 HB3 LYS 24 10.533 3.641 -2.037 184 HB3 LYS 24 HB2 LYS 24 9.995 4.077 -3.666 185 HG2 LYS 24 HG3 LYS 24 7.699 4.351 -2.801 186 HG3 LYS 24 HG2 LYS 24 8.297 3.984 -1.191 187 HD2 LYS 24 HD3 LYS 24 9.139 6.323 -2.913 188 HD3 LYS 24 HD2 LYS 24 8.047 6.355 -1.521 189 HE2 LYS 24 HE3 LYS 24 9.881 5.652 -0.076 190 HE3 LYS 24 HE2 LYS 24 10.954 5.582 -1.470 191 HZ1 LYS 24 HZ1 LYS 24 10.480 7.930 -1.842 192 HZ2 LYS 24 HZ2 LYS 24 11.297 7.652 -0.378 193 HZ3 LYS 24 HZ3 LYS 24 9.647 7.995 -0.366 194 H SER 25 H SER 25 11.108 1.308 -2.081 195 HA SER 25 HA SER 25 13.132 0.733 -4.046 196 HB2 SER 25 HB3 SER 25 12.901 -0.895 -1.449 197 HB3 SER 25 HB2 SER 25 14.288 -0.974 -2.555 198 HG SER 25 HG SER 25 13.334 1.274 -1.099 199 H ALA 26 H ALA 26 10.974 -1.306 -2.702 200 HA ALA 26 HA ALA 26 11.171 -3.476 -4.593 201 HB1 ALA 26 HB1 ALA 26 8.482 -3.361 -3.726 202 HB2 ALA 26 HB2 ALA 26 9.489 -2.923 -2.357 203 HB3 ALA 26 HB3 ALA 26 9.734 -4.471 -3.186 204 H CYS 27 H CYS 27 8.966 -0.686 -4.415 205 HA CYS 27 HA CYS 27 7.665 -1.257 -6.834 206 HB2 CYS 27 HB3 CYS 27 7.804 1.365 -5.409 207 HB3 CYS 27 HB2 CYS 27 6.694 0.807 -6.657 208 HG CYS 27 HG CYS 27 6.908 -0.321 -3.477 209 H LYS 28 H LYS 28 10.779 -0.066 -6.611 210 HA LYS 28 HA LYS 28 10.886 2.310 -7.921 211 HB2 LYS 28 HB3 LYS 28 12.769 -0.010 -8.129 212 HB3 LYS 28 HB2 LYS 28 13.122 1.555 -8.869 213 HG2 LYS 28 HG3 LYS 28 13.194 2.559 -6.677 214 HG3 LYS 28 HG2 LYS 28 12.630 1.076 -5.919 215 HD2 LYS 28 HD3 LYS 28 15.051 1.314 -5.689 216 HD3 LYS 28 HD2 LYS 28 14.630 -0.107 -6.631 217 HE2 LYS 28 HE3 LYS 28 16.480 0.923 -7.728 218 HE3 LYS 28 HE2 LYS 28 15.076 1.214 -8.702 219 HZ1 LYS 28 HZ1 LYS 28 16.807 3.024 -7.440 220 HZ2 LYS 28 HZ2 LYS 28 15.226 3.439 -7.056 221 HZ3 LYS 28 HZ3 LYS 28 15.751 3.381 -8.678 222 H GLU 29 H GLU 29 10.646 -0.772 -9.422 223 HA GLU 29 HA GLU 29 10.784 0.285 -12.039 224 HB2 GLU 29 HB3 GLU 29 10.038 -2.413 -10.998 225 HB3 GLU 29 HB2 GLU 29 10.259 -2.042 -12.719 226 HG2 GLU 29 HG3 GLU 29 12.564 -1.310 -12.269 227 HG3 GLU 29 HG2 GLU 29 12.354 -1.665 -10.570 228 H ASP 30 H ASP 30 8.069 -0.541 -9.908 229 HA ASP 30 HA ASP 30 6.197 -0.147 -12.068 230 HB2 ASP 30 HB3 ASP 30 5.692 -0.834 -9.181 231 HB3 ASP 30 HB2 ASP 30 4.418 -0.532 -10.346 232 H ILE 31 H ILE 31 6.944 1.593 -9.092 233 HA ILE 31 HA ILE 31 5.023 3.616 -9.941 234 HB ILE 31 HB ILE 31 5.043 2.661 -7.541 235 HG12 ILE 31 HG13 ILE 31 4.024 4.869 -7.959 236 HG13 ILE 31 HG12 ILE 31 4.645 4.664 -6.319 237 HG21 ILE 31 HG21 ILE 31 7.564 2.727 -7.448 238 HG22 ILE 31 HG22 ILE 31 6.606 3.194 -6.003 239 HG23 ILE 31 HG23 ILE 31 7.332 4.441 -7.034 240 HD11 ILE 31 HD11 ILE 31 5.093 6.863 -7.883 241 HD12 ILE 31 HD12 ILE 31 6.522 5.848 -8.168 242 HD13 ILE 31 HD13 ILE 31 6.069 6.315 -6.509 243 HA PRO 32 HA PRO 32 8.209 5.551 -11.867 244 HB2 PRO 32 HB2 PRO 32 7.365 8.191 -12.041 245 HB3 PRO 32 HB3 PRO 32 6.886 6.851 -13.100 246 HG2 PRO 32 HG3 PRO 32 5.498 7.962 -10.746 247 HG3 PRO 32 HG2 PRO 32 4.834 7.402 -12.303 248 HD2 PRO 32 HD3 PRO 32 4.732 6.013 -10.046 249 HD3 PRO 32 HD2 PRO 32 4.861 5.217 -11.654 250 H SER 33 H SER 33 9.889 6.508 -11.613 251 HA SER 33 HA SER 33 11.196 6.937 -9.113 252 HB2 SER 33 HB3 SER 33 12.535 6.620 -11.232 253 HB3 SER 33 HB2 SER 33 12.151 8.270 -11.686 254 HG SER 33 HG SER 33 13.328 8.946 -9.707 255 H GLU 34 H GLU 34 10.162 9.258 -11.347 256 HA GLU 34 HA GLU 34 10.302 11.810 -10.204 257 HB2 GLU 34 HB3 GLU 34 9.246 11.284 -12.392 258 HB3 GLU 34 HB2 GLU 34 7.826 10.686 -11.557 259 HG2 GLU 34 HG3 GLU 34 7.326 12.875 -12.335 260 HG3 GLU 34 HG2 GLU 34 7.552 12.868 -10.577 261 H LYS 35 H LYS 35 7.908 9.675 -9.697 262 HA LYS 35 HA LYS 35 6.655 11.061 -7.516 263 HB2 LYS 35 HB3 LYS 35 5.998 8.441 -8.781 264 HB3 LYS 35 HB2 LYS 35 4.973 9.199 -7.537 265 HG2 LYS 35 HG3 LYS 35 5.847 10.653 -9.999 266 HG3 LYS 35 HG2 LYS 35 4.373 9.663 -9.866 267 HD2 LYS 35 HD3 LYS 35 3.363 11.092 -8.385 268 HD3 LYS 35 HD2 LYS 35 4.891 11.599 -7.673 269 HE2 LYS 35 HE3 LYS 35 3.962 12.523 -10.400 270 HE3 LYS 35 HE2 LYS 35 3.547 13.398 -8.925 271 HZ1 LYS 35 HZ1 LYS 35 5.825 13.575 -8.385 272 HZ2 LYS 35 HZ2 LYS 35 5.546 14.357 -9.847 273 HZ3 LYS 35 HZ3 LYS 35 6.361 12.844 -9.786 274 H SER 36 H SER 36 8.241 7.848 -7.539 275 HA SER 36 HA SER 36 8.060 7.269 -4.900 276 HB2 SER 36 HB3 SER 36 8.732 5.739 -6.575 277 HB3 SER 36 HB2 SER 36 10.227 6.658 -6.893 278 HG SER 36 HG SER 36 9.974 4.661 -5.323 279 H GLU 37 H GLU 37 10.180 9.281 -6.386 280 HA GLU 37 HA GLU 37 12.180 9.603 -4.374 281 HB2 GLU 37 HB3 GLU 37 11.442 11.781 -6.365 282 HB3 GLU 37 HB2 GLU 37 12.879 11.774 -5.352 283 HG2 GLU 37 HG3 GLU 37 13.697 9.767 -6.454 284 HG3 GLU 37 HG2 GLU 37 12.238 9.688 -7.430 285 H GLU 38 H GLU 38 9.263 11.759 -4.850 286 HA GLU 38 HA GLU 38 9.784 13.169 -2.614 287 HB2 GLU 38 HB3 GLU 38 7.712 14.222 -3.361 288 HB3 GLU 38 HB2 GLU 38 8.925 14.071 -4.635 289 HG2 GLU 38 HG3 GLU 38 7.581 12.000 -5.381 290 HG3 GLU 38 HG2 GLU 38 6.379 12.534 -4.255 291 H ILE 39 H ILE 39 8.397 10.136 -2.866 292 HA ILE 39 HA ILE 39 6.127 10.595 -1.169 293 HB ILE 39 HB ILE 39 7.471 8.023 -1.979 294 HG12 ILE 39 HG13 ILE 39 4.836 9.160 -2.917 295 HG13 ILE 39 HG12 ILE 39 6.381 9.430 -3.778 296 HG21 ILE 39 HG21 ILE 39 5.690 8.389 0.142 297 HG22 ILE 39 HG22 ILE 39 6.034 6.851 -0.663 298 HG23 ILE 39 HG23 ILE 39 4.696 7.875 -1.217 299 HD11 ILE 39 HD11 ILE 39 6.368 7.295 -4.486 300 HD12 ILE 39 HD12 ILE 39 4.644 7.650 -4.407 301 HD13 ILE 39 HD13 ILE 39 5.390 6.709 -3.112 302 H THR 40 H THR 40 6.584 11.399 0.595 303 HA THR 40 HA THR 40 8.421 10.334 2.510 304 HB THR 40 HB THR 40 8.669 12.639 2.361 305 HG1 THR 40 HG1 THR 40 7.517 11.860 4.787 306 HG21 THR 40 HG21 THR 40 6.873 14.292 2.568 307 HG22 THR 40 HG22 THR 40 5.703 12.984 2.767 308 HG23 THR 40 HG23 THR 40 6.578 13.144 1.251 309 H THR 41 H THR 41 5.247 10.220 2.124 310 HA THR 41 HA THR 41 4.990 8.761 4.649 311 HB THR 41 HB THR 41 4.400 10.958 5.360 312 HG1 THR 41 HG1 THR 41 2.934 10.047 6.540 313 HG21 THR 41 HG21 THR 41 2.127 11.887 4.337 314 HG22 THR 41 HG22 THR 41 2.701 11.002 2.928 315 HG23 THR 41 HG23 THR 41 3.693 12.287 3.621 316 H GLY 42 H GLY 42 3.180 7.634 5.009 317 HA2 GLY 42 HA3 GLY 42 2.811 5.835 2.895 318 HA3 GLY 42 HA2 GLY 42 1.847 5.793 4.384 319 H SER 43 H SER 43 0.320 8.140 4.351 320 HA SER 43 HA SER 43 -1.607 7.794 2.630 321 HB2 SER 43 HB3 SER 43 -0.477 10.328 3.818 322 HB3 SER 43 HB2 SER 43 -2.146 10.057 3.357 323 HG SER 43 HG SER 43 -1.072 9.583 5.677 324 H ALA 44 H ALA 44 1.226 9.777 2.347 325 HA ALA 44 HA ALA 44 0.686 11.182 -0.044 326 HB1 ALA 44 HB1 ALA 44 2.713 12.068 0.382 327 HB2 ALA 44 HB2 ALA 44 3.448 10.597 -0.241 328 HB3 ALA 44 HB3 ALA 44 3.076 10.744 1.491 329 H TRP 45 H TRP 45 2.390 8.086 0.256 330 HA TRP 45 HA TRP 45 2.456 7.553 -2.533 331 HB2 TRP 45 HB3 TRP 45 3.835 6.327 -0.731 332 HB3 TRP 45 HB2 TRP 45 2.344 5.551 -0.275 333 HD1 TRP 45 HD1 TRP 45 3.716 5.955 -3.919 334 HE1 TRP 45 HE1 TRP 45 3.833 3.555 -4.906 335 HE3 TRP 45 HE3 TRP 45 2.362 3.221 0.186 336 HZ2 TRP 45 HZ2 TRP 45 3.496 1.017 -4.149 337 HZ3 TRP 45 HZ3 TRP 45 2.296 0.773 -0.058 338 HH2 TRP 45 HH2 TRP 45 2.857 -0.282 -2.191 339 H PHE 46 H PHE 46 0.160 6.389 -0.108 340 HA PHE 46 HA PHE 46 -1.364 5.054 -2.001 341 HB2 PHE 46 HB3 PHE 46 -2.369 6.446 0.453 342 HB3 PHE 46 HB2 PHE 46 -3.376 5.401 -0.544 343 HD1 PHE 46 HD1 PHE 46 -2.154 3.117 -1.121 344 HD2 PHE 46 HD2 PHE 46 -1.470 5.525 2.373 345 HE1 PHE 46 HE1 PHE 46 -1.464 1.127 0.110 346 HE2 PHE 46 HE2 PHE 46 -0.832 3.522 3.604 347 HZ PHE 46 HZ PHE 46 -0.809 1.293 2.401 348 H SER 47 H SER 47 -1.780 8.103 -0.898 349 HA SER 47 HA SER 47 -3.790 9.056 -2.692 350 HB2 SER 47 HB3 SER 47 -1.729 10.751 -1.336 351 HB3 SER 47 HB2 SER 47 -3.151 11.397 -2.180 352 HG SER 47 HG SER 47 -4.240 9.749 -0.702 353 H PHE 48 H PHE 48 -0.344 8.811 -3.306 354 HA PHE 48 HA PHE 48 -0.423 10.161 -5.840 355 HB2 PHE 48 HB3 PHE 48 1.734 9.735 -4.928 356 HB3 PHE 48 HB2 PHE 48 1.356 8.017 -4.655 357 HD1 PHE 48 HD2 PHE 48 1.356 10.493 -7.490 358 HD2 PHE 48 HD1 PHE 48 2.118 6.517 -6.171 359 HE1 PHE 48 HE2 PHE 48 2.030 9.878 -9.712 360 HE2 PHE 48 HE1 PHE 48 2.768 5.916 -8.445 361 HZ PHE 48 HZ PHE 48 2.729 7.585 -10.215 362 H LEU 49 H LEU 49 -0.345 6.715 -4.799 363 HA LEU 49 HA LEU 49 -0.591 5.480 -7.129 364 HB2 LEU 49 HB3 LEU 49 -0.080 4.917 -4.794 365 HB3 LEU 49 HB2 LEU 49 -1.832 4.700 -4.560 366 HG LEU 49 HG LEU 49 -1.648 2.557 -6.073 367 HD11 LEU 49 HD11 LEU 49 1.243 2.937 -6.145 368 HD12 LEU 49 HD12 LEU 49 0.322 3.915 -7.279 369 HD13 LEU 49 HD13 LEU 49 0.155 2.159 -7.288 370 HD21 LEU 49 HD21 LEU 49 -0.560 1.297 -4.545 371 HD22 LEU 49 HD22 LEU 49 -0.907 2.705 -3.554 372 HD23 LEU 49 HD23 LEU 49 0.691 2.504 -4.264 373 H GLU 50 H GLU 50 -3.039 6.177 -4.874 374 HA GLU 50 HA GLU 50 -5.552 5.745 -6.154 375 HB2 GLU 50 HB3 GLU 50 -5.108 8.263 -4.529 376 HB3 GLU 50 HB2 GLU 50 -6.650 7.678 -5.060 377 HG2 GLU 50 HG3 GLU 50 -6.381 5.719 -3.614 378 HG3 GLU 50 HG2 GLU 50 -4.822 6.357 -3.092 379 H SER 51 H SER 51 -3.848 8.447 -6.234 380 HA SER 51 HA SER 51 -5.369 10.075 -8.068 381 HB2 SER 51 HB3 SER 51 -2.405 10.498 -7.619 382 HB3 SER 51 HB2 SER 51 -3.444 11.620 -8.517 383 HG SER 51 HG SER 51 -3.478 10.905 -5.805 384 H HIS 52 H HIS 52 -3.108 7.637 -8.683 385 HA HIS 52 HA HIS 52 -3.665 7.873 -11.534 386 HB2 HIS 52 HB3 HIS 52 -1.383 6.457 -10.206 387 HB3 HIS 52 HB2 HIS 52 -1.722 6.212 -11.943 388 HD1 HIS 52 HD1 HIS 52 0.543 7.258 -12.678 389 HD2 HIS 52 HD2 HIS 52 -1.564 9.397 -9.896 390 HE1 HIS 52 HE1 HIS 52 1.781 9.446 -12.539 391 H ASN 53 H ASN 53 -4.004 5.646 -12.575 392 HA ASN 53 HA ASN 53 -5.883 4.491 -10.773 393 HB2 ASN 53 HB3 ASN 53 -5.421 3.838 -13.699 394 HB3 ASN 53 HB2 ASN 53 -6.713 3.168 -12.715 395 HD21 ASN 53 HD22 ASN 53 -8.605 4.212 -12.774 396 HD22 ASN 53 HD21 ASN 53 -8.827 5.849 -13.271 397 H LYS 54 H LYS 54 -3.391 3.946 -9.780 398 HA LYS 54 HA LYS 54 -3.176 1.114 -10.423 399 HB2 LYS 54 HB3 LYS 54 -1.041 2.674 -8.936 400 HB3 LYS 54 HB2 LYS 54 -0.976 0.979 -9.360 401 HG2 LYS 54 HG3 LYS 54 -0.745 3.336 -11.226 402 HG3 LYS 54 HG2 LYS 54 0.418 2.077 -10.780 403 HD2 LYS 54 HD3 LYS 54 -2.117 1.538 -12.277 404 HD3 LYS 54 HD2 LYS 54 -0.549 1.764 -13.042 405 HE2 LYS 54 HE3 LYS 54 0.277 -0.208 -11.796 406 HE3 LYS 54 HE2 LYS 54 -1.325 -0.436 -11.102 407 HZ1 LYS 54 HZ1 LYS 54 -1.741 -1.707 -12.906 408 HZ2 LYS 54 HZ2 LYS 54 -0.311 -1.191 -13.644 409 HZ3 LYS 54 HZ3 LYS 54 -1.705 -0.299 -13.858 410 H LEU 55 H LEU 55 -4.931 2.822 -8.470 411 HA LEU 55 HA LEU 55 -5.333 0.610 -6.802 412 HB2 LEU 55 HB3 LEU 55 -3.310 1.328 -5.640 413 HB3 LEU 55 HB2 LEU 55 -3.965 2.936 -5.452 414 HG LEU 55 HG LEU 55 -5.236 0.539 -4.059 415 HD11 LEU 55 HD11 LEU 55 -3.654 0.487 -2.487 416 HD12 LEU 55 HD12 LEU 55 -3.625 2.248 -2.335 417 HD13 LEU 55 HD13 LEU 55 -2.643 1.443 -3.570 418 HD21 LEU 55 HD21 LEU 55 -5.504 3.460 -3.949 419 HD22 LEU 55 HD22 LEU 55 -5.496 2.658 -2.381 420 HD23 LEU 55 HD23 LEU 55 -6.701 2.212 -3.594 421 H ASP 56 H ASP 56 -7.211 0.520 -7.026 422 HA ASP 56 HA ASP 56 -9.171 2.580 -6.559 423 HB2 ASP 56 HB3 ASP 56 -9.444 -0.341 -6.932 424 HB3 ASP 56 HB2 ASP 56 -10.815 0.635 -6.467 425 H LYS 57 H LYS 57 -10.789 2.240 -5.078 426 HA LYS 57 HA LYS 57 -10.151 1.800 -2.307 427 HB2 LYS 57 HB3 LYS 57 -12.501 2.051 -1.854 428 HB3 LYS 57 HB2 LYS 57 -12.098 3.220 -3.093 429 HG2 LYS 57 HG3 LYS 57 -13.422 0.597 -3.444 430 HG3 LYS 57 HG2 LYS 57 -14.273 2.162 -3.527 431 HD2 LYS 57 HD3 LYS 57 -12.689 2.690 -5.375 432 HD3 LYS 57 HD2 LYS 57 -12.175 0.999 -5.217 433 HE2 LYS 57 HE3 LYS 57 -13.719 1.205 -7.140 434 HE3 LYS 57 HE2 LYS 57 -14.409 0.210 -5.849 435 HZ1 LYS 57 HZ1 LYS 57 -15.833 2.010 -5.233 436 HZ2 LYS 57 HZ2 LYS 57 -15.946 1.840 -6.900 437 HZ3 LYS 57 HZ3 LYS 57 -15.043 3.094 -6.259 438 H ASP 58 H ASP 58 -11.061 -0.344 -4.941 439 HA ASP 58 HA ASP 58 -11.744 -2.528 -3.145 440 HB2 ASP 58 HB3 ASP 58 -13.355 -2.037 -4.938 441 HB3 ASP 58 HB2 ASP 58 -12.080 -2.170 -6.142 442 H ASN 59 H ASN 59 -9.609 -1.541 -5.617 443 HA ASN 59 HA ASN 59 -8.119 -4.037 -5.665 444 HB2 ASN 59 HB3 ASN 59 -7.780 -1.442 -7.112 445 HB3 ASN 59 HB2 ASN 59 -6.711 -2.830 -7.330 446 HD21 ASN 59 HD22 ASN 59 -9.699 -1.406 -8.185 447 HD22 ASN 59 HD21 ASN 59 -10.268 -2.719 -9.121 448 H LEU 60 H LEU 60 -6.685 -4.538 -4.647 449 HA LEU 60 HA LEU 60 -4.887 -2.685 -3.302 450 HB2 LEU 60 HB3 LEU 60 -4.935 -4.199 -1.288 451 HB3 LEU 60 HB2 LEU 60 -6.381 -3.276 -1.602 452 HG LEU 60 HG LEU 60 -7.490 -5.306 -2.456 453 HD11 LEU 60 HD11 LEU 60 -5.321 -7.013 -1.382 454 HD12 LEU 60 HD12 LEU 60 -5.196 -6.342 -3.020 455 HD13 LEU 60 HD13 LEU 60 -6.571 -7.365 -2.595 456 HD21 LEU 60 HD21 LEU 60 -7.498 -6.551 -0.275 457 HD22 LEU 60 HD22 LEU 60 -7.897 -4.828 -0.225 458 HD23 LEU 60 HD23 LEU 60 -6.291 -5.387 0.271 459 H SER 61 H SER 61 -5.205 -5.497 -4.914 460 HA SER 61 HA SER 61 -3.069 -7.025 -4.356 461 HB2 SER 61 HB3 SER 61 -4.051 -6.598 -7.175 462 HB3 SER 61 HB2 SER 61 -3.206 -8.030 -6.558 463 HG SER 61 HG SER 61 -4.946 -8.639 -5.436 464 H TYR 62 H TYR 62 -2.937 -4.220 -6.217 465 HA TYR 62 HA TYR 62 -0.284 -4.233 -7.261 466 HB2 TYR 62 HB3 TYR 62 -1.846 -2.353 -7.780 467 HB3 TYR 62 HB2 TYR 62 -1.769 -1.819 -6.098 468 HD1 TYR 62 HD1 TYR 62 0.128 -2.045 -9.275 469 HD2 TYR 62 HD2 TYR 62 0.114 -0.504 -5.294 470 HE1 TYR 62 HE1 TYR 62 2.162 -0.774 -9.741 471 HE2 TYR 62 HE2 TYR 62 2.195 0.621 -5.703 472 HH TYR 62 HH TYR 62 4.146 0.112 -8.313 473 H ILE 63 H ILE 63 -1.569 -3.076 -4.209 474 HA ILE 63 HA ILE 63 0.973 -2.467 -3.056 475 HB ILE 63 HB ILE 63 -0.135 -1.479 -1.243 476 HG12 ILE 63 HG13 ILE 63 -2.749 -2.609 -2.202 477 HG13 ILE 63 HG12 ILE 63 -1.854 -3.350 -0.878 478 HG21 ILE 63 HG21 ILE 63 -2.035 -0.408 -2.631 479 HG22 ILE 63 HG22 ILE 63 -1.091 -1.153 -3.905 480 HG23 ILE 63 HG23 ILE 63 -0.321 0.021 -2.808 481 HD11 ILE 63 HD11 ILE 63 -2.996 -1.969 0.421 482 HD12 ILE 63 HD12 ILE 63 -3.415 -0.897 -0.946 483 HD13 ILE 63 HD13 ILE 63 -1.812 -0.804 -0.187 484 H GLU 64 H GLU 64 -1.113 -5.070 -3.102 485 HA GLU 64 HA GLU 64 -0.453 -6.371 -0.592 486 HB2 GLU 64 HB3 GLU 64 -2.448 -7.018 -1.992 487 HB3 GLU 64 HB2 GLU 64 -1.343 -7.616 -3.213 488 HG2 GLU 64 HG3 GLU 64 -0.516 -9.293 -1.616 489 HG3 GLU 64 HG2 GLU 64 -1.669 -8.703 -0.420 490 H HIS 65 H HIS 65 0.641 -6.885 -3.941 491 HA HIS 65 HA HIS 65 2.865 -8.430 -3.524 492 HB2 HIS 65 HB3 HIS 65 1.845 -7.768 -5.678 493 HB3 HIS 65 HB2 HIS 65 2.207 -6.097 -5.304 494 HD1 HIS 65 HD1 HIS 65 4.293 -9.322 -6.071 495 HD2 HIS 65 HD2 HIS 65 4.255 -5.192 -6.600 496 HE1 HIS 65 HE1 HIS 65 6.292 -8.828 -7.436 497 H ILE 66 H ILE 66 2.869 -5.026 -3.759 498 HA ILE 66 HA ILE 66 5.319 -4.504 -3.196 499 HB ILE 66 HB ILE 66 3.144 -2.985 -1.874 500 HG12 ILE 66 HG13 ILE 66 2.826 -3.313 -4.027 501 HG13 ILE 66 HG12 ILE 66 3.168 -1.558 -3.991 502 HG21 ILE 66 HG21 ILE 66 5.211 -2.192 -0.816 503 HG22 ILE 66 HG22 ILE 66 4.754 -0.964 -1.968 504 HG23 ILE 66 HG23 ILE 66 6.040 -2.083 -2.362 505 HD11 ILE 66 HD11 ILE 66 4.184 -2.418 -5.897 506 HD12 ILE 66 HD12 ILE 66 4.792 -3.866 -5.050 507 HD13 ILE 66 HD13 ILE 66 5.513 -2.288 -4.715 508 H PHE 67 H PHE 67 2.864 -5.011 -0.505 509 HA PHE 67 HA PHE 67 4.813 -4.763 1.341 510 HB2 PHE 67 HB3 PHE 67 2.087 -6.013 1.598 511 HB3 PHE 67 HB2 PHE 67 3.177 -5.568 2.916 512 HD1 PHE 67 HD2 PHE 67 4.033 -3.107 2.835 513 HD2 PHE 67 HD1 PHE 67 0.534 -4.526 0.980 514 HE1 PHE 67 HE2 PHE 67 3.186 -0.767 2.674 515 HE2 PHE 67 HE1 PHE 67 -0.328 -2.260 0.808 516 HZ PHE 67 HZ PHE 67 0.996 -0.357 1.658 517 H GLU 68 H GLU 68 3.950 -7.631 -0.683 518 HA GLU 68 HA GLU 68 5.069 -9.593 1.152 519 HB2 GLU 68 HB3 GLU 68 3.244 -10.024 -0.533 520 HB3 GLU 68 HB2 GLU 68 4.368 -9.541 -1.778 521 HG2 GLU 68 HG3 GLU 68 4.207 -11.904 -1.685 522 HG3 GLU 68 HG2 GLU 68 5.813 -11.267 -1.183 523 H ILE 69 H ILE 69 6.042 -8.164 -1.914 524 HA ILE 69 HA ILE 69 8.459 -9.311 -1.944 525 HB ILE 69 HB ILE 69 9.116 -7.709 -3.649 526 HG12 ILE 69 HG13 ILE 69 6.470 -6.385 -3.021 527 HG13 ILE 69 HG12 ILE 69 8.053 -5.685 -2.701 528 HG21 ILE 69 HG21 ILE 69 7.039 -9.554 -3.602 529 HG22 ILE 69 HG22 ILE 69 7.928 -8.972 -5.037 530 HG23 ILE 69 HG23 ILE 69 6.439 -8.176 -4.512 531 HD11 ILE 69 HD11 ILE 69 7.437 -6.652 -5.366 532 HD12 ILE 69 HD12 ILE 69 8.426 -5.262 -4.897 533 HD13 ILE 69 HD13 ILE 69 6.645 -5.150 -4.818 534 H SER 70 H SER 70 7.547 -6.431 -0.370 535 HA SER 70 HA SER 70 10.245 -5.668 0.299 536 HB2 SER 70 HB3 SER 70 7.586 -4.659 1.343 537 HB3 SER 70 HB2 SER 70 9.170 -3.905 1.589 538 HG SER 70 HG SER 70 7.597 -4.148 -0.687 539 H ARG 71 H ARG 71 11.158 -6.040 2.278 540 HA ARG 71 HA ARG 71 10.225 -8.299 3.724 541 HB2 ARG 71 HB3 ARG 71 12.613 -6.531 4.124 542 HB3 ARG 71 HB2 ARG 71 12.257 -7.981 5.077 543 HG2 ARG 71 HG3 ARG 71 12.561 -7.933 2.124 544 HG3 ARG 71 HG2 ARG 71 13.857 -8.389 3.248 545 HD2 ARG 71 HD3 ARG 71 11.172 -9.749 2.927 546 HD3 ARG 71 HD2 ARG 71 12.747 -10.379 2.412 547 HE ARG 71 HE ARG 71 11.562 -10.638 4.924 548 HH11 ARG 71 HH11 ARG 71 14.770 -10.044 3.511 549 HH12 ARG 71 HH12 ARG 71 15.671 -10.373 4.906 550 HH21 ARG 71 HH22 ARG 71 12.800 -11.246 6.882 551 HH22 ARG 71 HH21 ARG 71 14.505 -11.112 6.881 552 H ARG 72 H ARG 72 8.248 -6.829 4.141 553 HA ARG 72 HA ARG 72 8.312 -6.063 6.985 554 HB2 ARG 72 HB3 ARG 72 8.903 -4.088 5.521 555 HB3 ARG 72 HB2 ARG 72 7.308 -4.203 4.830 556 HG2 ARG 72 HG3 ARG 72 7.493 -2.441 6.521 557 HG3 ARG 72 HG2 ARG 72 6.305 -3.670 6.973 558 HD2 ARG 72 HD3 ARG 72 7.793 -4.644 8.563 559 HD3 ARG 72 HD2 ARG 72 9.155 -3.754 7.899 560 HE ARG 72 HE ARG 72 7.578 -1.795 8.663 561 HH11 ARG 72 HH11 ARG 72 8.202 -4.677 10.624 562 HH12 ARG 72 HH12 ARG 72 8.795 -3.843 11.970 563 HH21 ARG 72 HH22 ARG 72 8.427 -0.589 10.421 564 HH22 ARG 72 HH21 ARG 72 8.890 -1.366 11.887 565 HA PRO 73 HA PRO 73 4.658 -8.637 5.291 566 HB2 PRO 73 HB2 PRO 73 5.296 -10.140 7.753 567 HB3 PRO 73 HB3 PRO 73 4.936 -10.761 6.142 568 HG2 PRO 73 HG3 PRO 73 7.417 -10.772 7.064 569 HG3 PRO 73 HG2 PRO 73 7.101 -10.344 5.377 570 HD2 PRO 73 HD3 PRO 73 7.688 -8.550 7.717 571 HD3 PRO 73 HD2 PRO 73 8.292 -8.500 6.037 572 H ASP 74 H ASP 74 5.197 -6.760 8.101 573 HA ASP 74 HA ASP 74 3.002 -7.545 9.727 574 HB2 ASP 74 HB3 ASP 74 4.313 -4.783 9.570 575 HB3 ASP 74 HB2 ASP 74 3.311 -5.411 10.866 576 H LEU 75 H LEU 75 3.617 -5.151 7.564 577 HA LEU 75 HA LEU 75 1.053 -3.936 7.388 578 HB2 LEU 75 HB3 LEU 75 3.337 -3.766 5.443 579 HB3 LEU 75 HB2 LEU 75 1.840 -2.874 5.176 580 HG LEU 75 HG LEU 75 2.318 -1.517 7.242 581 HD11 LEU 75 HD11 LEU 75 4.230 -1.710 8.524 582 HD12 LEU 75 HD12 LEU 75 5.028 -2.806 7.395 583 HD13 LEU 75 HD13 LEU 75 3.681 -3.380 8.380 584 HD21 LEU 75 HD21 LEU 75 3.803 -1.555 4.830 585 HD22 LEU 75 HD22 LEU 75 4.841 -1.046 6.165 586 HD23 LEU 75 HD23 LEU 75 3.326 -0.193 5.852 587 H LEU 76 H LEU 76 2.604 -6.065 5.349 588 HA LEU 76 HA LEU 76 0.706 -6.766 3.290 589 HB2 LEU 76 HB3 LEU 76 2.856 -8.094 3.549 590 HB3 LEU 76 HB2 LEU 76 1.950 -9.024 4.795 591 HG LEU 76 HG LEU 76 0.261 -9.281 2.962 592 HD11 LEU 76 HD11 LEU 76 1.884 -9.724 0.781 593 HD12 LEU 76 HD12 LEU 76 2.216 -8.115 1.407 594 HD13 LEU 76 HD13 LEU 76 0.555 -8.589 1.041 595 HD21 LEU 76 HD21 LEU 76 0.782 -11.275 3.550 596 HD22 LEU 76 HD22 LEU 76 2.488 -10.894 3.780 597 HD23 LEU 76 HD23 LEU 76 1.898 -11.348 2.158 598 H THR 77 H THR 77 1.068 -8.234 6.299 599 HA THR 77 HA THR 77 -1.060 -9.907 6.604 600 HB THR 77 HB THR 77 0.253 -8.168 8.638 601 HG1 THR 77 HG1 THR 77 1.764 -9.555 8.042 602 HG21 THR 77 HG21 THR 77 -1.759 -10.311 8.902 603 HG22 THR 77 HG22 THR 77 -1.636 -8.707 9.664 604 HG23 THR 77 HG23 THR 77 -0.549 -10.020 10.203 605 H MET 78 H MET 78 -1.026 -6.545 7.348 606 HA MET 78 HA MET 78 -3.751 -6.350 8.119 607 HB2 MET 78 HB3 MET 78 -1.899 -4.189 7.106 608 HB3 MET 78 HB2 MET 78 -3.521 -3.876 7.696 609 HG2 MET 78 HG3 MET 78 -1.437 -5.286 9.280 610 HG3 MET 78 HG2 MET 78 -1.768 -3.544 9.455 611 HE1 MET 78 HE1 MET 78 -2.762 -5.764 12.414 612 HE2 MET 78 HE2 MET 78 -3.125 -4.047 12.508 613 HE3 MET 78 HE3 MET 78 -1.613 -4.600 11.765 614 H VAL 79 H VAL 79 -2.257 -6.163 4.922 615 HA VAL 79 HA VAL 79 -4.626 -5.300 3.566 616 HB VAL 79 HB VAL 79 -2.278 -6.896 2.492 617 HG11 VAL 79 HG11 VAL 79 -3.898 -6.888 0.829 618 HG12 VAL 79 HG12 VAL 79 -2.796 -5.585 0.383 619 HG13 VAL 79 HG13 VAL 79 -4.342 -5.202 1.125 620 HG21 VAL 79 HG21 VAL 79 -1.373 -4.637 1.807 621 HG22 VAL 79 HG22 VAL 79 -1.271 -5.065 3.522 622 HG23 VAL 79 HG23 VAL 79 -2.532 -3.965 2.987 623 H VAL 80 H VAL 80 -3.004 -8.358 4.037 624 HA VAL 80 HA VAL 80 -4.911 -10.220 2.939 625 HB VAL 80 HB VAL 80 -3.028 -10.518 5.349 626 HG11 VAL 80 HG11 VAL 80 -4.291 -12.640 3.626 627 HG12 VAL 80 HG12 VAL 80 -4.740 -12.192 5.285 628 HG13 VAL 80 HG13 VAL 80 -3.136 -12.887 4.956 629 HG21 VAL 80 HG21 VAL 80 -1.905 -11.890 3.224 630 HG22 VAL 80 HG22 VAL 80 -1.349 -10.349 3.872 631 HG23 VAL 80 HG23 VAL 80 -2.468 -10.387 2.511 632 H ASP 81 H ASP 81 -4.538 -9.108 6.032 633 HA ASP 81 HA ASP 81 -6.727 -10.225 7.353 634 HB2 ASP 81 HB3 ASP 81 -5.082 -8.934 8.660 635 HB3 ASP 81 HB2 ASP 81 -5.654 -7.452 7.927 636 H TYR 82 H TYR 82 -6.529 -7.154 5.807 637 HA TYR 82 HA TYR 82 -9.105 -6.044 6.131 638 HB2 TYR 82 HB3 TYR 82 -7.343 -4.732 5.228 639 HB3 TYR 82 HB2 TYR 82 -7.176 -5.814 3.843 640 HD1 TYR 82 HD2 TYR 82 -9.712 -3.712 5.516 641 HD2 TYR 82 HD1 TYR 82 -8.146 -5.324 1.966 642 HE1 TYR 82 HE2 TYR 82 -11.303 -2.372 4.229 643 HE2 TYR 82 HE1 TYR 82 -9.752 -4.040 0.616 644 HH TYR 82 HH TYR 82 -11.288 -2.361 0.687 645 H ARG 83 H ARG 83 -7.800 -7.913 3.485 646 HA ARG 83 HA ARG 83 -9.952 -8.059 1.806 647 HB2 ARG 83 HB3 ARG 83 -7.751 -8.556 1.115 648 HB3 ARG 83 HB2 ARG 83 -7.528 -9.725 2.389 649 HG2 ARG 83 HG3 ARG 83 -9.433 -10.213 0.196 650 HG3 ARG 83 HG2 ARG 83 -7.685 -10.469 -0.072 651 HD2 ARG 83 HD3 ARG 83 -7.825 -11.956 1.928 652 HD3 ARG 83 HD2 ARG 83 -9.583 -11.851 1.885 653 HE ARG 83 HE ARG 83 -7.959 -13.478 0.253 654 HH11 ARG 83 HH11 ARG 83 -11.104 -11.802 0.061 655 HH12 ARG 83 HH12 ARG 83 -11.514 -12.466 -1.459 656 HH21 ARG 83 HH22 ARG 83 -8.532 -14.339 -1.900 657 HH22 ARG 83 HH21 ARG 83 -9.996 -13.863 -2.606 658 H THR 84 H THR 84 -8.973 -10.097 4.139 659 HA THR 84 HA THR 84 -11.130 -11.996 4.155 660 HB THR 84 HB THR 84 -9.356 -11.236 6.384 661 HG1 THR 84 HG1 THR 84 -7.916 -11.961 4.939 662 HG21 THR 84 HG21 THR 84 -9.815 -13.881 6.591 663 HG22 THR 84 HG22 THR 84 -11.317 -13.203 5.896 664 HG23 THR 84 HG23 THR 84 -10.675 -12.504 7.400 665 H ARG 85 H ARG 85 -10.378 -9.832 6.490 666 HA ARG 85 HA ARG 85 -12.586 -9.937 8.021 667 HB2 ARG 85 HB3 ARG 85 -12.113 -7.928 9.393 668 HB3 ARG 85 HB2 ARG 85 -10.699 -8.878 9.041 669 HG2 ARG 85 HG3 ARG 85 -9.643 -7.054 8.346 670 HG3 ARG 85 HG2 ARG 85 -10.868 -6.727 7.122 671 HD2 ARG 85 HD3 ARG 85 -12.276 -5.735 8.681 672 HD3 ARG 85 HD2 ARG 85 -11.240 -6.145 10.039 673 HE ARG 85 HE ARG 85 -11.213 -3.751 8.614 674 HH11 ARG 85 HH11 ARG 85 -8.639 -6.118 9.549 675 HH12 ARG 85 HH12 ARG 85 -7.417 -4.976 9.694 676 HH21 ARG 85 HH22 ARG 85 -9.519 -2.161 8.900 677 HH22 ARG 85 HH21 ARG 85 -7.923 -2.560 9.338 678 H VAL 86 H VAL 86 -12.154 -7.517 5.909 679 HA VAL 86 HA VAL 86 -14.748 -6.374 5.981 680 HB VAL 86 HB VAL 86 -12.773 -6.298 3.713 681 HG11 VAL 86 HG11 VAL 86 -14.534 -4.010 3.672 682 HG12 VAL 86 HG12 VAL 86 -15.569 -5.426 3.740 683 HG13 VAL 86 HG13 VAL 86 -14.407 -5.248 2.426 684 HG21 VAL 86 HG21 VAL 86 -13.202 -3.829 4.982 685 HG22 VAL 86 HG22 VAL 86 -11.766 -4.847 5.000 686 HG23 VAL 86 HG23 VAL 86 -13.003 -5.075 6.225 687 H LEU 87 H LEU 87 -13.506 -8.985 4.184 688 HA LEU 87 HA LEU 87 -15.781 -9.705 2.620 689 HB2 LEU 87 HB3 LEU 87 -13.758 -10.651 2.057 690 HB3 LEU 87 HB2 LEU 87 -13.340 -10.998 3.712 691 HG LEU 87 HG LEU 87 -14.711 -12.874 3.736 692 HD11 LEU 87 HD11 LEU 87 -16.573 -12.345 2.243 693 HD12 LEU 87 HD12 LEU 87 -15.702 -13.619 1.386 694 HD13 LEU 87 HD13 LEU 87 -15.474 -11.927 0.937 695 HD21 LEU 87 HD21 LEU 87 -12.557 -12.515 1.853 696 HD22 LEU 87 HD22 LEU 87 -13.558 -13.912 1.463 697 HD23 LEU 87 HD23 LEU 87 -12.824 -13.781 3.053 698 H LYS 88 H LYS 88 -14.618 -10.715 5.775 699 HA LYS 88 HA LYS 88 -16.756 -12.367 6.316 700 HB2 LYS 88 HB3 LYS 88 -14.472 -12.440 7.406 701 HB3 LYS 88 HB2 LYS 88 -14.930 -11.076 8.373 702 HG2 LYS 88 HG3 LYS 88 -15.115 -13.205 9.588 703 HG3 LYS 88 HG2 LYS 88 -16.658 -12.351 9.505 704 HD2 LYS 88 HD3 LYS 88 -17.428 -13.754 7.691 705 HD3 LYS 88 HD2 LYS 88 -15.855 -14.527 7.585 706 HE2 LYS 88 HE3 LYS 88 -17.700 -14.702 9.972 707 HE3 LYS 88 HE2 LYS 88 -17.610 -15.895 8.687 708 HZ1 LYS 88 HZ1 LYS 88 -16.149 -16.835 10.078 709 HZ2 LYS 88 HZ2 LYS 88 -15.719 -15.426 10.886 710 HZ3 LYS 88 HZ3 LYS 88 -15.041 -15.804 9.382 711 H ILE 89 H ILE 89 -16.443 -8.877 6.812 712 HA ILE 89 HA ILE 89 -18.620 -8.499 8.548 713 HB ILE 89 HB ILE 89 -17.060 -6.822 6.618 714 HG12 ILE 89 HG13 ILE 89 -16.982 -6.869 9.632 715 HG13 ILE 89 HG12 ILE 89 -15.770 -7.559 8.536 716 HG21 ILE 89 HG21 ILE 89 -19.333 -5.972 8.325 717 HG22 ILE 89 HG22 ILE 89 -18.950 -5.748 6.599 718 HG23 ILE 89 HG23 ILE 89 -18.041 -4.841 7.809 719 HD11 ILE 89 HD11 ILE 89 -15.593 -5.157 7.635 720 HD12 ILE 89 HD12 ILE 89 -14.812 -5.567 9.156 721 HD13 ILE 89 HD13 ILE 89 -16.341 -4.696 9.166 722 H SER 90 H SER 90 -17.995 -8.159 5.106 723 HA SER 90 HA SER 90 -20.655 -7.289 4.545 724 HB2 SER 90 HB3 SER 90 -18.420 -7.987 2.663 725 HB3 SER 90 HB2 SER 90 -19.890 -7.066 2.283 726 HG SER 90 HG SER 90 -17.630 -6.355 3.709 Start of MODEL 7 1 H1 MET 1 H MET 1 -13.904 3.756 -0.596 2 H2 MET 1 H2 MET 1 -12.666 3.671 0.548 3 H3 MET 1 H3 MET 1 -12.903 2.364 -0.489 4 HA MET 1 HA MET 1 -15.181 3.109 1.068 5 HB2 MET 1 HB3 MET 1 -13.558 0.511 0.940 6 HB3 MET 1 HB2 MET 1 -15.158 0.714 1.650 7 HG2 MET 1 HG3 MET 1 -16.039 1.347 -0.546 8 HG3 MET 1 HG2 MET 1 -14.465 1.033 -1.255 9 HE1 MET 1 HE1 MET 1 -13.293 -1.317 -1.095 10 HE2 MET 1 HE2 MET 1 -14.127 -2.847 -0.856 11 HE3 MET 1 HE3 MET 1 -13.751 -1.819 0.525 12 H ALA 2 H ALA 2 -15.298 3.105 3.136 13 HA ALA 2 HA ALA 2 -13.136 4.436 4.450 14 HB1 ALA 2 HB1 ALA 2 -15.831 3.783 5.332 15 HB2 ALA 2 HB2 ALA 2 -14.810 5.155 5.775 16 HB3 ALA 2 HB3 ALA 2 -14.649 3.622 6.630 17 H GLU 3 H GLU 3 -14.299 1.290 5.370 18 HA GLU 3 HA GLU 3 -12.411 0.538 7.026 19 HB2 GLU 3 HB3 GLU 3 -13.414 -1.265 4.798 20 HB3 GLU 3 HB2 GLU 3 -12.697 -1.805 6.293 21 HG2 GLU 3 HG3 GLU 3 -15.073 -2.144 6.431 22 HG3 GLU 3 HG2 GLU 3 -14.650 -0.880 7.550 23 H TYR 4 H TYR 4 -12.246 0.395 3.816 24 HA TYR 4 HA TYR 4 -9.521 -0.478 3.291 25 HB2 TYR 4 HB3 TYR 4 -11.037 -0.312 1.355 26 HB3 TYR 4 HB2 TYR 4 -10.877 1.461 1.359 27 HD1 TYR 4 HD2 TYR 4 -8.638 -1.480 1.585 28 HD2 TYR 4 HD1 TYR 4 -9.450 2.167 -0.486 29 HE1 TYR 4 HE2 TYR 4 -6.721 -1.890 0.148 30 HE2 TYR 4 HE1 TYR 4 -7.497 1.746 -1.922 31 HH TYR 4 HH TYR 4 -6.245 -0.515 -2.669 32 H GLY 5 H GLY 5 -10.893 2.578 3.559 33 HA2 GLY 5 HA3 GLY 5 -8.715 4.380 3.422 34 HA3 GLY 5 HA2 GLY 5 -10.097 4.730 4.460 35 H THR 6 H THR 6 -9.926 2.696 6.428 36 HA THR 6 HA THR 6 -7.809 3.567 8.086 37 HB THR 6 HB THR 6 -9.397 1.043 8.212 38 HG1 THR 6 HG1 THR 6 -10.059 3.734 8.685 39 HG21 THR 6 HG21 THR 6 -7.473 1.488 9.702 40 HG22 THR 6 HG22 THR 6 -9.005 1.168 10.545 41 HG23 THR 6 HG23 THR 6 -8.418 2.839 10.365 42 H LEU 7 H LEU 7 -8.373 0.754 6.277 43 HA LEU 7 HA LEU 7 -6.196 -0.897 6.813 44 HB2 LEU 7 HB3 LEU 7 -7.670 -1.643 5.108 45 HB3 LEU 7 HB2 LEU 7 -7.185 -0.330 4.042 46 HG LEU 7 HG LEU 7 -4.943 -1.253 3.944 47 HD11 LEU 7 HD11 LEU 7 -4.538 -2.467 5.788 48 HD12 LEU 7 HD12 LEU 7 -4.817 -3.736 4.592 49 HD13 LEU 7 HD13 LEU 7 -6.090 -3.295 5.736 50 HD21 LEU 7 HD21 LEU 7 -7.074 -1.925 2.506 51 HD22 LEU 7 HD22 LEU 7 -6.574 -3.525 3.042 52 HD23 LEU 7 HD23 LEU 7 -5.444 -2.499 2.151 53 H LEU 8 H LEU 8 -6.117 1.365 4.430 54 HA LEU 8 HA LEU 8 -3.319 1.481 3.769 55 HB2 LEU 8 HB3 LEU 8 -5.230 3.801 3.539 56 HB3 LEU 8 HB2 LEU 8 -3.528 3.838 3.074 57 HG LEU 8 HG LEU 8 -3.853 2.367 1.254 58 HD11 LEU 8 HD11 LEU 8 -5.879 1.237 0.728 59 HD12 LEU 8 HD12 LEU 8 -6.698 1.976 2.092 60 HD13 LEU 8 HD13 LEU 8 -5.389 0.821 2.368 61 HD21 LEU 8 HD21 LEU 8 -5.330 4.747 1.536 62 HD22 LEU 8 HD22 LEU 8 -6.258 3.649 0.516 63 HD23 LEU 8 HD23 LEU 8 -4.587 4.054 0.097 64 H GLN 9 H GLN 9 -5.112 3.142 6.122 65 HA GLN 9 HA GLN 9 -3.076 4.689 7.248 66 HB2 GLN 9 HB3 GLN 9 -5.188 5.594 7.143 67 HB3 GLN 9 HB2 GLN 9 -5.917 4.089 7.678 68 HG2 GLN 9 HG3 GLN 9 -5.586 4.397 9.655 69 HG3 GLN 9 HG2 GLN 9 -4.168 5.530 9.589 70 HE21 GLN 9 HE22 GLN 9 -4.725 7.646 9.436 71 HE22 GLN 9 HE21 GLN 9 -6.320 8.298 9.620 72 H ASP 10 H ASP 10 -4.166 1.643 7.701 73 HA ASP 10 HA ASP 10 -3.369 1.141 10.473 74 HB2 ASP 10 HB3 ASP 10 -4.104 -0.934 8.362 75 HB3 ASP 10 HB2 ASP 10 -3.523 -1.350 9.956 76 H LEU 11 H LEU 11 -2.068 0.587 7.213 77 HA LEU 11 HA LEU 11 0.313 -0.467 8.284 78 HB2 LEU 11 HB3 LEU 11 1.003 -0.769 6.026 79 HB3 LEU 11 HB2 LEU 11 -0.530 -1.588 6.324 80 HG LEU 11 HG LEU 11 -1.399 0.629 5.208 81 HD11 LEU 11 HD11 LEU 11 1.318 0.964 5.120 82 HD12 LEU 11 HD12 LEU 11 0.086 1.935 4.307 83 HD13 LEU 11 HD13 LEU 11 0.853 0.598 3.453 84 HD21 LEU 11 HD21 LEU 11 -0.174 -1.365 3.331 85 HD22 LEU 11 HD22 LEU 11 -1.758 -0.610 3.264 86 HD23 LEU 11 HD23 LEU 11 -1.392 -1.893 4.461 87 H THR 12 H THR 12 -0.913 2.411 7.173 88 HA THR 12 HA THR 12 1.470 3.930 6.779 89 HB THR 12 HB THR 12 -1.396 4.645 7.185 90 HG1 THR 12 HG1 THR 12 -1.040 3.905 5.239 91 HG21 THR 12 HG21 THR 12 0.768 6.359 7.585 92 HG22 THR 12 HG22 THR 12 -0.998 6.716 7.587 93 HG23 THR 12 HG23 THR 12 -0.116 6.718 6.033 94 H ASN 13 H ASN 13 -0.582 3.324 9.588 95 HA ASN 13 HA ASN 13 0.810 5.042 11.407 96 HB2 ASN 13 HB3 ASN 13 -0.734 2.501 12.041 97 HB3 ASN 13 HB2 ASN 13 -0.046 3.555 13.261 98 HD21 ASN 13 HD22 ASN 13 -2.866 2.696 11.990 99 HD22 ASN 13 HD21 ASN 13 -3.744 4.165 12.103 100 H ASN 14 H ASN 14 1.362 1.864 10.258 101 HA ASN 14 HA ASN 14 3.632 1.468 12.064 102 HB2 ASN 14 HB3 ASN 14 2.402 -0.411 10.015 103 HB3 ASN 14 HB2 ASN 14 3.811 -0.777 10.990 104 HD21 ASN 14 HD22 ASN 14 0.442 -0.918 10.882 105 HD22 ASN 14 HD21 ASN 14 0.202 -1.294 12.544 106 H ILE 15 H ILE 15 3.201 2.916 9.166 107 HA ILE 15 HA ILE 15 5.608 2.080 7.890 108 HB ILE 15 HB ILE 15 3.423 3.989 7.255 109 HG12 ILE 15 HG13 ILE 15 3.382 1.672 6.512 110 HG13 ILE 15 HG12 ILE 15 3.333 2.807 5.168 111 HG21 ILE 15 HG21 ILE 15 4.372 5.205 5.606 112 HG22 ILE 15 HG22 ILE 15 5.759 4.126 5.432 113 HG23 ILE 15 HG23 ILE 15 5.666 5.240 6.812 114 HD11 ILE 15 HD11 ILE 15 6.049 1.923 5.942 115 HD12 ILE 15 HD12 ILE 15 5.315 2.195 4.364 116 HD13 ILE 15 HD13 ILE 15 4.994 0.692 5.210 117 H THR 16 H THR 16 7.568 2.729 8.351 118 HA THR 16 HA THR 16 8.047 5.291 9.535 119 HB THR 16 HB THR 16 10.370 4.585 9.584 120 HG1 THR 16 HG1 THR 16 10.202 1.955 9.169 121 HG21 THR 16 HG21 THR 16 8.727 4.043 11.347 122 HG22 THR 16 HG22 THR 16 10.285 3.155 11.325 123 HG23 THR 16 HG23 THR 16 8.803 2.375 10.669 124 H LEU 17 H LEU 17 9.249 6.528 8.459 125 HA LEU 17 HA LEU 17 8.935 6.901 5.660 126 HB2 LEU 17 HB3 LEU 17 9.897 8.721 7.038 127 HB3 LEU 17 HB2 LEU 17 11.390 7.832 7.206 128 HG LEU 17 HG LEU 17 11.774 7.994 4.782 129 HD11 LEU 17 HD11 LEU 17 9.120 9.256 4.883 130 HD12 LEU 17 HD12 LEU 17 9.829 8.211 3.672 131 HD13 LEU 17 HD13 LEU 17 10.285 9.924 3.743 132 HD21 LEU 17 HD21 LEU 17 12.253 9.894 6.656 133 HD22 LEU 17 HD22 LEU 17 11.366 10.834 5.451 134 HD23 LEU 17 HD23 LEU 17 12.818 9.967 4.984 135 H GLU 18 H GLU 18 11.604 5.396 7.345 136 HA GLU 18 HA GLU 18 12.991 4.519 5.052 137 HB2 GLU 18 HB3 GLU 18 13.053 3.296 7.813 138 HB3 GLU 18 HB2 GLU 18 14.223 2.961 6.543 139 HG2 GLU 18 HG3 GLU 18 14.869 5.322 6.531 140 HG3 GLU 18 HG2 GLU 18 13.736 5.641 7.844 141 H ASP 19 H ASP 19 10.830 2.730 7.016 142 HA ASP 19 HA ASP 19 10.876 0.345 5.569 143 HB2 ASP 19 HB3 ASP 19 8.569 1.337 7.263 144 HB3 ASP 19 HB2 ASP 19 8.459 -0.220 6.441 145 H LEU 20 H LEU 20 8.468 2.880 5.151 146 HA LEU 20 HA LEU 20 7.313 2.055 2.802 147 HB2 LEU 20 HB3 LEU 20 6.849 4.218 4.048 148 HB3 LEU 20 HB2 LEU 20 8.260 4.822 3.153 149 HG LEU 20 HG LEU 20 7.259 4.276 1.074 150 HD11 LEU 20 HD11 LEU 20 4.929 3.684 0.828 151 HD12 LEU 20 HD12 LEU 20 4.736 3.659 2.586 152 HD13 LEU 20 HD13 LEU 20 5.811 2.503 1.799 153 HD21 LEU 20 HD21 LEU 20 7.116 6.524 1.859 154 HD22 LEU 20 HD22 LEU 20 5.713 6.143 2.853 155 HD23 LEU 20 HD23 LEU 20 5.581 6.128 1.097 156 H GLU 21 H GLU 21 10.321 3.710 3.101 157 HA GLU 21 HA GLU 21 10.704 3.928 0.334 158 HB2 GLU 21 HB3 GLU 21 12.833 4.049 2.454 159 HB3 GLU 21 HB2 GLU 21 13.138 4.282 0.729 160 HG2 GLU 21 HG3 GLU 21 11.270 5.850 2.427 161 HG3 GLU 21 HG2 GLU 21 12.848 6.429 1.836 162 H GLN 22 H GLN 22 11.424 1.574 2.439 163 HA GLN 22 HA GLN 22 12.907 -0.076 0.618 164 HB2 GLN 22 HB3 GLN 22 12.868 -0.436 3.149 165 HB3 GLN 22 HB2 GLN 22 11.336 -1.277 2.880 166 HG2 GLN 22 HG3 GLN 22 12.465 -2.898 1.442 167 HG3 GLN 22 HG2 GLN 22 13.984 -2.046 1.658 168 HE21 GLN 22 HE22 GLN 22 12.693 -4.735 2.416 169 HE22 GLN 22 HE21 GLN 22 13.263 -4.957 4.049 170 H LEU 23 H LEU 23 9.371 0.043 1.412 171 HA LEU 23 HA LEU 23 8.462 -1.866 -0.394 172 HB2 LEU 23 HB3 LEU 23 7.266 0.743 0.624 173 HB3 LEU 23 HB2 LEU 23 6.362 -0.508 -0.186 174 HG LEU 23 HG LEU 23 7.700 -0.782 2.494 175 HD11 LEU 23 HD11 LEU 23 5.983 0.657 2.949 176 HD12 LEU 23 HD12 LEU 23 5.143 -0.890 3.070 177 HD13 LEU 23 HD13 LEU 23 5.009 0.077 1.601 178 HD21 LEU 23 HD21 LEU 23 7.332 -2.930 2.282 179 HD22 LEU 23 HD22 LEU 23 6.595 -2.687 0.705 180 HD23 LEU 23 HD23 LEU 23 5.603 -2.613 2.160 181 H LYS 24 H LYS 24 9.059 1.410 -0.558 182 HA LYS 24 HA LYS 24 8.337 2.162 -3.229 183 HB2 LYS 24 HB3 LYS 24 10.585 3.240 -1.495 184 HB3 LYS 24 HB2 LYS 24 9.987 3.973 -2.988 185 HG2 LYS 24 HG3 LYS 24 7.967 3.504 -0.859 186 HG3 LYS 24 HG2 LYS 24 9.075 4.843 -0.589 187 HD2 LYS 24 HD3 LYS 24 7.306 4.311 -2.943 188 HD3 LYS 24 HD2 LYS 24 7.059 5.520 -1.668 189 HE2 LYS 24 HE3 LYS 24 9.329 5.411 -3.639 190 HE3 LYS 24 HE2 LYS 24 8.025 6.579 -3.587 191 HZ1 LYS 24 HZ1 LYS 24 9.063 7.014 -1.138 192 HZ2 LYS 24 HZ2 LYS 24 9.688 7.740 -2.533 193 HZ3 LYS 24 HZ3 LYS 24 10.384 6.387 -1.821 194 H SER 25 H SER 25 11.081 1.337 -2.074 195 HA SER 25 HA SER 25 12.931 0.987 -4.229 196 HB2 SER 25 HB3 SER 25 13.177 -0.809 -1.786 197 HB3 SER 25 HB2 SER 25 14.431 -0.612 -3.011 198 HG SER 25 HG SER 25 13.370 1.391 -1.296 199 H ALA 26 H ALA 26 11.045 -1.214 -2.774 200 HA ALA 26 HA ALA 26 11.278 -3.377 -4.653 201 HB1 ALA 26 HB1 ALA 26 8.618 -3.408 -3.580 202 HB2 ALA 26 HB2 ALA 26 9.770 -2.996 -2.315 203 HB3 ALA 26 HB3 ALA 26 9.965 -4.487 -3.230 204 H CYS 27 H CYS 27 8.885 -0.708 -4.374 205 HA CYS 27 HA CYS 27 7.462 -1.326 -6.705 206 HB2 CYS 27 HB3 CYS 27 7.644 1.342 -5.341 207 HB3 CYS 27 HB2 CYS 27 6.460 0.726 -6.488 208 HG CYS 27 HG CYS 27 6.935 -0.618 -3.405 209 H LYS 28 H LYS 28 10.559 -0.104 -6.609 210 HA LYS 28 HA LYS 28 10.474 2.283 -7.828 211 HB2 LYS 28 HB3 LYS 28 12.813 2.099 -8.365 212 HB3 LYS 28 HB2 LYS 28 12.527 1.091 -6.944 213 HG2 LYS 28 HG3 LYS 28 12.494 -0.879 -8.412 214 HG3 LYS 28 HG2 LYS 28 12.867 0.193 -9.775 215 HD2 LYS 28 HD3 LYS 28 14.922 0.927 -8.505 216 HD3 LYS 28 HD2 LYS 28 14.605 -0.366 -7.363 217 HE2 LYS 28 HE3 LYS 28 15.260 -0.633 -10.301 218 HE3 LYS 28 HE2 LYS 28 16.284 -1.056 -8.938 219 HZ1 LYS 28 HZ1 LYS 28 14.296 -2.777 -8.486 220 HZ2 LYS 28 HZ2 LYS 28 15.531 -3.051 -9.608 221 HZ3 LYS 28 HZ3 LYS 28 14.073 -2.477 -10.156 222 H GLU 29 H GLU 29 10.131 -0.733 -9.385 223 HA GLU 29 HA GLU 29 10.398 0.175 -12.014 224 HB2 GLU 29 HB3 GLU 29 8.967 -2.260 -11.023 225 HB3 GLU 29 HB2 GLU 29 9.589 -1.964 -12.656 226 HG2 GLU 29 HG3 GLU 29 11.204 -2.037 -10.199 227 HG3 GLU 29 HG2 GLU 29 11.029 -3.457 -11.266 228 H ASP 30 H ASP 30 7.658 -0.489 -9.862 229 HA ASP 30 HA ASP 30 5.706 -0.017 -11.880 230 HB2 ASP 30 HB3 ASP 30 5.377 -0.723 -8.984 231 HB3 ASP 30 HB2 ASP 30 4.019 -0.470 -10.044 232 H ILE 31 H ILE 31 6.666 1.760 -8.996 233 HA ILE 31 HA ILE 31 4.570 3.662 -9.646 234 HB ILE 31 HB ILE 31 4.922 2.839 -7.266 235 HG12 ILE 31 HG13 ILE 31 3.794 5.035 -7.595 236 HG13 ILE 31 HG12 ILE 31 4.639 4.910 -6.061 237 HG21 ILE 31 HG21 ILE 31 7.244 2.643 -7.133 238 HG22 ILE 31 HG22 ILE 31 6.686 3.788 -5.903 239 HG23 ILE 31 HG23 ILE 31 7.458 4.391 -7.385 240 HD11 ILE 31 HD11 ILE 31 6.173 6.041 -8.260 241 HD12 ILE 31 HD12 ILE 31 6.077 6.523 -6.557 242 HD13 ILE 31 HD13 ILE 31 4.810 7.047 -7.678 243 HA PRO 32 HA PRO 32 7.270 5.699 -12.175 244 HB2 PRO 32 HB2 PRO 32 6.043 8.262 -11.211 245 HB3 PRO 32 HB3 PRO 32 6.342 7.724 -12.878 246 HG2 PRO 32 HG3 PRO 32 3.925 7.560 -11.864 247 HG3 PRO 32 HG2 PRO 32 4.560 6.211 -12.818 248 HD2 PRO 32 HD3 PRO 32 4.346 6.570 -9.899 249 HD3 PRO 32 HD2 PRO 32 3.970 5.085 -10.839 250 H SER 33 H SER 33 9.270 6.334 -12.035 251 HA SER 33 HA SER 33 10.723 6.493 -9.642 252 HB2 SER 33 HB3 SER 33 11.746 5.956 -11.860 253 HB3 SER 33 HB2 SER 33 11.570 7.660 -12.310 254 HG SER 33 HG SER 33 12.892 7.496 -9.968 255 H GLU 34 H GLU 34 10.209 9.066 -11.757 256 HA GLU 34 HA GLU 34 10.957 11.186 -10.191 257 HB2 GLU 34 HB3 GLU 34 10.442 11.594 -12.573 258 HB3 GLU 34 HB2 GLU 34 8.728 11.432 -12.239 259 HG2 GLU 34 HG3 GLU 34 8.726 13.447 -10.948 260 HG3 GLU 34 HG2 GLU 34 10.478 13.581 -11.074 261 H LYS 35 H LYS 35 8.072 9.780 -10.177 262 HA LYS 35 HA LYS 35 6.899 11.329 -8.048 263 HB2 LYS 35 HB3 LYS 35 5.885 8.834 -9.328 264 HB3 LYS 35 HB2 LYS 35 5.092 9.463 -7.896 265 HG2 LYS 35 HG3 LYS 35 5.552 10.993 -10.434 266 HG3 LYS 35 HG2 LYS 35 4.042 10.189 -9.922 267 HD2 LYS 35 HD3 LYS 35 3.973 11.442 -7.908 268 HD3 LYS 35 HD2 LYS 35 5.490 12.256 -8.221 269 HE2 LYS 35 HE3 LYS 35 4.397 13.403 -10.165 270 HE3 LYS 35 HE2 LYS 35 2.878 12.641 -9.679 271 HZ1 LYS 35 HZ1 LYS 35 2.894 13.819 -7.625 272 HZ2 LYS 35 HZ2 LYS 35 3.304 14.995 -8.779 273 HZ3 LYS 35 HZ3 LYS 35 4.466 14.278 -7.785 274 H SER 36 H SER 36 8.248 8.098 -7.983 275 HA SER 36 HA SER 36 7.984 7.528 -5.385 276 HB2 SER 36 HB3 SER 36 8.838 6.011 -6.949 277 HB3 SER 36 HB2 SER 36 10.272 7.001 -7.325 278 HG SER 36 HG SER 36 11.116 5.721 -5.896 279 H GLU 37 H GLU 37 9.841 9.816 -6.733 280 HA GLU 37 HA GLU 37 11.864 10.471 -4.876 281 HB2 GLU 37 HB3 GLU 37 10.334 12.447 -6.551 282 HB3 GLU 37 HB2 GLU 37 11.821 12.809 -5.687 283 HG2 GLU 37 HG3 GLU 37 11.589 10.678 -7.727 284 HG3 GLU 37 HG2 GLU 37 12.056 12.325 -8.179 285 H GLU 38 H GLU 38 8.540 12.072 -5.108 286 HA GLU 38 HA GLU 38 8.864 13.431 -2.751 287 HB2 GLU 38 HB3 GLU 38 6.606 14.231 -3.345 288 HB3 GLU 38 HB2 GLU 38 7.775 14.313 -4.679 289 HG2 GLU 38 HG3 GLU 38 6.769 12.288 -5.635 290 HG3 GLU 38 HG2 GLU 38 5.650 12.210 -4.283 291 H ILE 39 H ILE 39 8.104 10.275 -2.948 292 HA ILE 39 HA ILE 39 5.773 10.296 -1.288 293 HB ILE 39 HB ILE 39 7.435 8.011 -2.277 294 HG12 ILE 39 HG13 ILE 39 4.715 8.990 -3.131 295 HG13 ILE 39 HG12 ILE 39 6.241 9.328 -3.992 296 HG21 ILE 39 HG21 ILE 39 5.611 6.554 -1.579 297 HG22 ILE 39 HG22 ILE 39 4.641 7.960 -1.099 298 HG23 ILE 39 HG23 ILE 39 6.070 7.515 -0.161 299 HD11 ILE 39 HD11 ILE 39 6.321 7.252 -4.800 300 HD12 ILE 39 HD12 ILE 39 4.562 7.413 -4.588 301 HD13 ILE 39 HD13 ILE 39 5.521 6.557 -3.365 302 H THR 40 H THR 40 7.049 11.558 0.260 303 HA THR 40 HA THR 40 8.660 10.075 2.184 304 HB THR 40 HB THR 40 9.257 12.351 1.610 305 HG1 THR 40 HG1 THR 40 8.552 11.746 4.239 306 HG21 THR 40 HG21 THR 40 6.842 13.012 1.185 307 HG22 THR 40 HG22 THR 40 7.849 14.263 1.910 308 HG23 THR 40 HG23 THR 40 6.707 13.317 2.900 309 H THR 41 H THR 41 5.763 9.447 1.904 310 HA THR 41 HA THR 41 5.327 8.849 4.530 311 HB THR 41 HB THR 41 4.633 10.943 4.998 312 HG1 THR 41 HG1 THR 41 2.466 10.719 5.707 313 HG21 THR 41 HG21 THR 41 3.761 11.253 2.432 314 HG22 THR 41 HG22 THR 41 3.583 12.430 3.735 315 HG23 THR 41 HG23 THR 41 2.253 11.328 3.359 316 H GLY 42 H GLY 42 3.495 7.525 4.999 317 HA2 GLY 42 HA3 GLY 42 3.173 5.611 2.910 318 HA3 GLY 42 HA2 GLY 42 2.269 5.557 4.431 319 H SER 43 H SER 43 0.597 7.894 4.393 320 HA SER 43 HA SER 43 -1.335 7.402 2.720 321 HB2 SER 43 HB3 SER 43 -0.340 9.988 3.938 322 HB3 SER 43 HB2 SER 43 -2.002 9.671 3.394 323 HG SER 43 HG SER 43 -1.799 9.349 5.622 324 H ALA 44 H ALA 44 1.353 9.486 2.312 325 HA ALA 44 HA ALA 44 0.696 10.897 -0.076 326 HB1 ALA 44 HB1 ALA 44 3.137 10.646 1.309 327 HB2 ALA 44 HB2 ALA 44 2.753 11.777 0.014 328 HB3 ALA 44 HB3 ALA 44 3.478 10.211 -0.369 329 H TRP 45 H TRP 45 2.390 7.854 0.185 330 HA TRP 45 HA TRP 45 2.498 7.324 -2.592 331 HB2 TRP 45 HB3 TRP 45 3.818 6.151 -0.757 332 HB3 TRP 45 HB2 TRP 45 2.329 5.380 -0.287 333 HD1 TRP 45 HD1 TRP 45 3.869 5.676 -3.872 334 HE1 TRP 45 HE1 TRP 45 3.932 3.242 -4.796 335 HE3 TRP 45 HE3 TRP 45 2.251 3.090 0.215 336 HZ2 TRP 45 HZ2 TRP 45 3.463 0.750 -3.993 337 HZ3 TRP 45 HZ3 TRP 45 2.152 0.624 0.033 338 HH2 TRP 45 HH2 TRP 45 2.779 -0.471 -2.099 339 H PHE 46 H PHE 46 0.233 6.136 -0.203 340 HA PHE 46 HA PHE 46 -1.324 4.863 -2.103 341 HB2 PHE 46 HB3 PHE 46 -2.360 6.225 0.376 342 HB3 PHE 46 HB2 PHE 46 -3.304 5.152 -0.642 343 HD1 PHE 46 HD1 PHE 46 -2.183 2.894 -1.111 344 HD2 PHE 46 HD2 PHE 46 -1.357 5.350 2.288 345 HE1 PHE 46 HE1 PHE 46 -1.555 0.917 0.130 346 HE2 PHE 46 HE2 PHE 46 -0.747 3.371 3.576 347 HZ PHE 46 HZ PHE 46 -0.854 1.080 2.415 348 H SER 47 H SER 47 -1.826 7.905 -0.831 349 HA SER 47 HA SER 47 -3.883 8.788 -2.552 350 HB2 SER 47 HB3 SER 47 -1.980 10.515 -1.033 351 HB3 SER 47 HB2 SER 47 -3.418 11.149 -1.827 352 HG SER 47 HG SER 47 -4.451 9.286 -0.596 353 H PHE 48 H PHE 48 -0.519 8.906 -3.179 354 HA PHE 48 HA PHE 48 -0.711 10.442 -5.608 355 HB2 PHE 48 HB3 PHE 48 1.517 10.169 -4.758 356 HB3 PHE 48 HB2 PHE 48 1.309 8.417 -4.597 357 HD1 PHE 48 HD1 PHE 48 1.031 11.002 -7.294 358 HD2 PHE 48 HD2 PHE 48 2.219 7.113 -6.113 359 HE1 PHE 48 HE1 PHE 48 1.712 10.511 -9.590 360 HE2 PHE 48 HE2 PHE 48 2.953 6.629 -8.387 361 HZ PHE 48 HZ PHE 48 2.702 8.321 -10.143 362 H LEU 49 H LEU 49 -0.437 6.962 -4.794 363 HA LEU 49 HA LEU 49 -0.612 5.866 -7.200 364 HB2 LEU 49 HB3 LEU 49 -0.191 5.132 -4.821 365 HB3 LEU 49 HB2 LEU 49 -1.914 4.753 -4.793 366 HG LEU 49 HG LEU 49 -1.505 3.090 -6.679 367 HD11 LEU 49 HD11 LEU 49 1.382 3.206 -6.326 368 HD12 LEU 49 HD12 LEU 49 0.725 4.677 -6.991 369 HD13 LEU 49 HD13 LEU 49 0.414 3.160 -7.815 370 HD21 LEU 49 HD21 LEU 49 -1.214 2.591 -4.125 371 HD22 LEU 49 HD22 LEU 49 0.501 2.530 -4.498 372 HD23 LEU 49 HD23 LEU 49 -0.627 1.446 -5.292 373 H GLU 50 H GLU 50 -3.144 6.245 -4.875 374 HA GLU 50 HA GLU 50 -5.581 5.600 -6.095 375 HB2 GLU 50 HB3 GLU 50 -5.345 8.096 -4.368 376 HB3 GLU 50 HB2 GLU 50 -6.830 7.317 -4.801 377 HG2 GLU 50 HG3 GLU 50 -6.292 5.412 -3.495 378 HG3 GLU 50 HG2 GLU 50 -4.691 6.081 -3.093 379 H SER 51 H SER 51 -4.218 8.447 -6.050 380 HA SER 51 HA SER 51 -5.836 10.096 -7.774 381 HB2 SER 51 HB3 SER 51 -2.843 10.565 -7.462 382 HB3 SER 51 HB2 SER 51 -3.957 11.699 -8.242 383 HG SER 51 HG SER 51 -3.878 10.821 -5.578 384 H HIS 52 H HIS 52 -3.371 7.828 -8.557 385 HA HIS 52 HA HIS 52 -4.060 8.181 -11.369 386 HB2 HIS 52 HB3 HIS 52 -1.544 7.039 -10.214 387 HB3 HIS 52 HB2 HIS 52 -1.858 6.937 -11.984 388 HD1 HIS 52 HD1 HIS 52 0.081 8.621 -12.734 389 HD2 HIS 52 HD2 HIS 52 -2.137 9.835 -9.487 390 HE1 HIS 52 HE1 HIS 52 1.043 10.827 -12.142 391 H ASN 53 H ASN 53 -3.701 5.835 -12.570 392 HA ASN 53 HA ASN 53 -5.812 4.340 -11.313 393 HB2 ASN 53 HB3 ASN 53 -4.482 3.903 -14.000 394 HB3 ASN 53 HB2 ASN 53 -5.892 3.060 -13.412 395 HD21 ASN 53 HD22 ASN 53 -4.936 5.376 -15.385 396 HD22 ASN 53 HD21 ASN 53 -6.320 6.405 -15.423 397 H LYS 54 H LYS 54 -3.600 4.035 -9.765 398 HA LYS 54 HA LYS 54 -2.803 1.340 -10.549 399 HB2 LYS 54 HB3 LYS 54 -1.326 2.876 -8.432 400 HB3 LYS 54 HB2 LYS 54 -0.957 1.305 -9.081 401 HG2 LYS 54 HG3 LYS 54 -0.739 3.967 -10.538 402 HG3 LYS 54 HG2 LYS 54 0.584 2.918 -10.038 403 HD2 LYS 54 HD3 LYS 54 -1.523 2.260 -12.099 404 HD3 LYS 54 HD2 LYS 54 0.130 2.782 -12.441 405 HE2 LYS 54 HE3 LYS 54 0.970 0.716 -11.446 406 HE3 LYS 54 HE2 LYS 54 -0.680 0.240 -11.046 407 HZ1 LYS 54 HZ1 LYS 54 -0.531 -0.805 -13.026 408 HZ2 LYS 54 HZ2 LYS 54 0.622 0.249 -13.691 409 HZ3 LYS 54 HZ3 LYS 54 -0.987 0.689 -13.612 410 H LEU 55 H LEU 55 -4.751 2.992 -8.421 411 HA LEU 55 HA LEU 55 -5.385 0.509 -7.036 412 HB2 LEU 55 HB3 LEU 55 -3.360 1.066 -5.848 413 HB3 LEU 55 HB2 LEU 55 -3.872 2.709 -5.618 414 HG LEU 55 HG LEU 55 -5.210 0.352 -4.213 415 HD11 LEU 55 HD11 LEU 55 -3.539 0.371 -2.656 416 HD12 LEU 55 HD12 LEU 55 -3.469 2.108 -2.625 417 HD13 LEU 55 HD13 LEU 55 -2.578 1.218 -3.859 418 HD21 LEU 55 HD21 LEU 55 -5.730 2.183 -2.526 419 HD22 LEU 55 HD22 LEU 55 -6.579 2.310 -4.065 420 HD23 LEU 55 HD23 LEU 55 -5.195 3.346 -3.742 421 H ASP 56 H ASP 56 -7.235 0.386 -6.902 422 HA ASP 56 HA ASP 56 -9.206 2.397 -6.600 423 HB2 ASP 56 HB3 ASP 56 -9.259 -0.478 -6.945 424 HB3 ASP 56 HB2 ASP 56 -10.671 0.285 -6.223 425 H LYS 57 H LYS 57 -10.936 2.078 -5.249 426 HA LYS 57 HA LYS 57 -10.350 2.295 -2.540 427 HB2 LYS 57 HB3 LYS 57 -12.735 2.161 -2.148 428 HB3 LYS 57 HB2 LYS 57 -12.289 3.386 -3.311 429 HG2 LYS 57 HG3 LYS 57 -14.303 2.310 -4.133 430 HG3 LYS 57 HG2 LYS 57 -12.889 1.802 -5.104 431 HD2 LYS 57 HD3 LYS 57 -12.722 -0.191 -3.896 432 HD3 LYS 57 HD2 LYS 57 -14.067 0.207 -2.852 433 HE2 LYS 57 HE3 LYS 57 -14.218 -0.344 -5.843 434 HE3 LYS 57 HE2 LYS 57 -14.756 -1.421 -4.577 435 HZ1 LYS 57 HZ1 LYS 57 -16.667 -0.415 -5.404 436 HZ2 LYS 57 HZ2 LYS 57 -16.011 1.111 -5.498 437 HZ3 LYS 57 HZ3 LYS 57 -16.448 0.441 -4.006 438 H ASP 58 H ASP 58 -10.662 -0.468 -4.412 439 HA ASP 58 HA ASP 58 -10.923 -2.170 -2.011 440 HB2 ASP 58 HB3 ASP 58 -12.981 -2.061 -3.461 441 HB3 ASP 58 HB2 ASP 58 -12.038 -2.804 -4.748 442 H ASN 59 H ASN 59 -9.537 -1.648 -5.110 443 HA ASN 59 HA ASN 59 -8.225 -4.194 -5.196 444 HB2 ASN 59 HB3 ASN 59 -8.178 -1.825 -7.053 445 HB3 ASN 59 HB2 ASN 59 -7.303 -3.336 -7.360 446 HD21 ASN 59 HD22 ASN 59 -10.241 -1.739 -7.598 447 HD22 ASN 59 HD21 ASN 59 -11.227 -3.070 -8.015 448 H LEU 60 H LEU 60 -6.417 -4.716 -4.717 449 HA LEU 60 HA LEU 60 -4.525 -2.766 -3.665 450 HB2 LEU 60 HB3 LEU 60 -4.376 -4.110 -1.574 451 HB3 LEU 60 HB2 LEU 60 -5.882 -3.260 -1.852 452 HG LEU 60 HG LEU 60 -6.905 -5.430 -2.584 453 HD11 LEU 60 HD11 LEU 60 -4.551 -6.849 -1.415 454 HD12 LEU 60 HD12 LEU 60 -4.718 -6.453 -3.117 455 HD13 LEU 60 HD13 LEU 60 -5.917 -7.495 -2.357 456 HD21 LEU 60 HD21 LEU 60 -6.517 -4.458 -0.052 457 HD22 LEU 60 HD22 LEU 60 -6.040 -6.151 0.097 458 HD23 LEU 60 HD23 LEU 60 -7.641 -5.731 -0.525 459 H SER 61 H SER 61 -4.835 -5.622 -5.204 460 HA SER 61 HA SER 61 -2.744 -7.158 -4.442 461 HB2 SER 61 HB3 SER 61 -4.439 -7.923 -6.129 462 HB3 SER 61 HB2 SER 61 -3.544 -7.046 -7.368 463 HG SER 61 HG SER 61 -2.291 -8.949 -5.764 464 H TYR 62 H TYR 62 -2.382 -4.512 -6.470 465 HA TYR 62 HA TYR 62 0.397 -4.796 -7.176 466 HB2 TYR 62 HB3 TYR 62 -0.679 -3.095 -8.379 467 HB3 TYR 62 HB2 TYR 62 -1.345 -2.365 -6.925 468 HD1 TYR 62 HD2 TYR 62 2.177 -3.334 -7.389 469 HD2 TYR 62 HD1 TYR 62 -0.586 -0.169 -7.166 470 HE1 TYR 62 HE2 TYR 62 4.045 -1.762 -7.198 471 HE2 TYR 62 HE1 TYR 62 1.250 1.433 -7.046 472 HH TYR 62 HH TYR 62 4.575 0.392 -7.377 473 H ILE 63 H ILE 63 -1.125 -3.151 -4.481 474 HA ILE 63 HA ILE 63 1.387 -2.444 -3.296 475 HB ILE 63 HB ILE 63 0.178 -1.263 -1.674 476 HG12 ILE 63 HG13 ILE 63 -2.366 -2.626 -2.493 477 HG13 ILE 63 HG12 ILE 63 -1.406 -3.243 -1.142 478 HG21 ILE 63 HG21 ILE 63 -0.258 0.107 -3.237 479 HG22 ILE 63 HG22 ILE 63 -1.874 -0.658 -3.301 480 HG23 ILE 63 HG23 ILE 63 -0.603 -1.218 -4.371 481 HD11 ILE 63 HD11 ILE 63 -1.463 -0.816 -0.431 482 HD12 ILE 63 HD12 ILE 63 -2.786 -1.892 0.001 483 HD13 ILE 63 HD13 ILE 63 -2.973 -0.757 -1.372 484 H GLU 64 H GLU 64 -0.779 -4.986 -3.180 485 HA GLU 64 HA GLU 64 -0.325 -6.223 -0.580 486 HB2 GLU 64 HB3 GLU 64 -2.203 -6.878 -2.079 487 HB3 GLU 64 HB2 GLU 64 -1.044 -7.455 -3.257 488 HG2 GLU 64 HG3 GLU 64 -0.316 -9.147 -1.584 489 HG3 GLU 64 HG2 GLU 64 -1.611 -8.610 -0.535 490 H HIS 65 H HIS 65 0.895 -7.002 -3.797 491 HA HIS 65 HA HIS 65 3.078 -8.652 -3.121 492 HB2 HIS 65 HB3 HIS 65 2.093 -8.097 -5.386 493 HB3 HIS 65 HB2 HIS 65 2.752 -6.484 -5.165 494 HD1 HIS 65 HD1 HIS 65 4.177 -10.020 -5.186 495 HD2 HIS 65 HD2 HIS 65 4.932 -6.118 -6.319 496 HE1 HIS 65 HE1 HIS 65 6.297 -10.172 -6.531 497 H ILE 66 H ILE 66 3.209 -5.280 -3.579 498 HA ILE 66 HA ILE 66 5.697 -4.873 -2.952 499 HB ILE 66 HB ILE 66 3.499 -3.146 -1.919 500 HG12 ILE 66 HG13 ILE 66 3.399 -3.684 -4.147 501 HG13 ILE 66 HG12 ILE 66 3.751 -1.942 -4.134 502 HG21 ILE 66 HG21 ILE 66 5.403 -2.378 -0.716 503 HG22 ILE 66 HG22 ILE 66 5.231 -1.247 -2.039 504 HG23 ILE 66 HG23 ILE 66 6.451 -2.524 -2.115 505 HD11 ILE 66 HD11 ILE 66 6.050 -3.680 -4.314 506 HD12 ILE 66 HD12 ILE 66 5.531 -2.312 -5.336 507 HD13 ILE 66 HD13 ILE 66 4.818 -3.926 -5.592 508 H PHE 67 H PHE 67 3.093 -5.124 -0.369 509 HA PHE 67 HA PHE 67 4.931 -4.832 1.559 510 HB2 PHE 67 HB3 PHE 67 2.178 -6.087 1.658 511 HB3 PHE 67 HB2 PHE 67 3.155 -5.598 3.046 512 HD1 PHE 67 HD2 PHE 67 3.990 -3.119 2.936 513 HD2 PHE 67 HD1 PHE 67 0.640 -4.641 0.901 514 HE1 PHE 67 HE2 PHE 67 3.166 -0.828 2.630 515 HE2 PHE 67 HE1 PHE 67 -0.212 -2.358 0.555 516 HZ PHE 67 HZ PHE 67 1.054 -0.441 1.432 517 H GLU 68 H GLU 68 4.118 -7.708 -0.432 518 HA GLU 68 HA GLU 68 4.972 -9.779 1.336 519 HB2 GLU 68 HB3 GLU 68 3.529 -10.018 -0.660 520 HB3 GLU 68 HB2 GLU 68 4.790 -9.327 -1.648 521 HG2 GLU 68 HG3 GLU 68 6.179 -11.363 -0.962 522 HG3 GLU 68 HG2 GLU 68 4.658 -12.008 -0.340 523 H ILE 69 H ILE 69 6.325 -8.300 -1.477 524 HA ILE 69 HA ILE 69 8.769 -9.498 -1.235 525 HB ILE 69 HB ILE 69 9.574 -8.053 -2.995 526 HG12 ILE 69 HG13 ILE 69 6.902 -6.665 -2.704 527 HG13 ILE 69 HG12 ILE 69 8.487 -5.963 -2.389 528 HG21 ILE 69 HG21 ILE 69 8.499 -9.376 -4.425 529 HG22 ILE 69 HG22 ILE 69 6.950 -8.627 -4.000 530 HG23 ILE 69 HG23 ILE 69 7.585 -9.959 -3.023 531 HD11 ILE 69 HD11 ILE 69 8.612 -7.087 -4.882 532 HD12 ILE 69 HD12 ILE 69 8.594 -5.349 -4.515 533 HD13 ILE 69 HD13 ILE 69 7.061 -6.223 -4.833 534 H SER 70 H SER 70 7.887 -6.337 -0.127 535 HA SER 70 HA SER 70 10.591 -5.854 0.746 536 HB2 SER 70 HB3 SER 70 9.346 -3.962 -0.166 537 HB3 SER 70 HB2 SER 70 8.086 -4.190 1.039 538 HG SER 70 HG SER 70 9.254 -2.822 2.116 539 H ARG 71 H ARG 71 11.116 -5.575 2.902 540 HA ARG 71 HA ARG 71 9.933 -7.612 4.395 541 HB2 ARG 71 HB3 ARG 71 12.211 -5.869 5.209 542 HB3 ARG 71 HB2 ARG 71 11.645 -7.273 6.108 543 HG2 ARG 71 HG3 ARG 71 12.652 -7.240 3.317 544 HG3 ARG 71 HG2 ARG 71 13.533 -7.850 4.734 545 HD2 ARG 71 HD3 ARG 71 11.668 -9.553 4.984 546 HD3 ARG 71 HD2 ARG 71 11.017 -8.982 3.450 547 HE ARG 71 HE ARG 71 13.170 -10.713 3.873 548 HH11 ARG 71 HH11 ARG 71 11.862 -8.450 1.442 549 HH12 ARG 71 HH12 ARG 71 13.076 -8.679 0.320 550 HH21 ARG 71 HH22 ARG 71 14.914 -11.037 2.248 551 HH22 ARG 71 HH21 ARG 71 14.844 -10.190 0.775 552 H ARG 72 H ARG 72 7.974 -6.365 4.382 553 HA ARG 72 HA ARG 72 7.377 -5.502 7.085 554 HB2 ARG 72 HB3 ARG 72 6.876 -3.809 4.681 555 HB3 ARG 72 HB2 ARG 72 5.752 -3.757 6.031 556 HG2 ARG 72 HG3 ARG 72 8.674 -3.263 6.364 557 HG3 ARG 72 HG2 ARG 72 7.544 -1.952 5.965 558 HD2 ARG 72 HD3 ARG 72 7.848 -1.916 8.356 559 HD3 ARG 72 HD2 ARG 72 6.261 -2.614 8.013 560 HE ARG 72 HE ARG 72 6.922 -4.473 9.168 561 HH11 ARG 72 HH11 ARG 72 9.818 -2.526 8.627 562 HH12 ARG 72 HH12 ARG 72 10.879 -3.778 9.153 563 HH21 ARG 72 HH22 ARG 72 8.322 -6.023 10.024 564 HH22 ARG 72 HH21 ARG 72 10.046 -5.746 9.992 565 HA PRO 73 HA PRO 73 4.389 -8.532 5.037 566 HB2 PRO 73 HB2 PRO 73 4.664 -10.483 6.890 567 HB3 PRO 73 HB3 PRO 73 5.647 -10.391 5.407 568 HG2 PRO 73 HG3 PRO 73 6.217 -9.415 8.158 569 HG3 PRO 73 HG2 PRO 73 7.280 -10.403 7.081 570 HD2 PRO 73 HD3 PRO 73 7.612 -7.748 7.351 571 HD3 PRO 73 HD2 PRO 73 7.795 -8.535 5.763 572 H ASP 74 H ASP 74 4.920 -6.943 7.945 573 HA ASP 74 HA ASP 74 2.750 -7.705 9.646 574 HB2 ASP 74 HB3 ASP 74 4.119 -5.016 9.295 575 HB3 ASP 74 HB2 ASP 74 3.218 -5.546 10.705 576 H LEU 75 H LEU 75 3.417 -5.247 7.555 577 HA LEU 75 HA LEU 75 0.861 -3.993 7.357 578 HB2 LEU 75 HB3 LEU 75 3.240 -3.709 5.523 579 HB3 LEU 75 HB2 LEU 75 1.759 -2.806 5.283 580 HG LEU 75 HG LEU 75 2.162 -1.581 7.429 581 HD11 LEU 75 HD11 LEU 75 3.491 -3.595 8.403 582 HD12 LEU 75 HD12 LEU 75 3.912 -1.941 8.845 583 HD13 LEU 75 HD13 LEU 75 4.864 -2.811 7.637 584 HD21 LEU 75 HD21 LEU 75 3.121 -0.849 5.263 585 HD22 LEU 75 HD22 LEU 75 4.628 -1.633 5.750 586 HD23 LEU 75 HD23 LEU 75 3.965 -0.301 6.702 587 H LEU 76 H LEU 76 2.542 -6.065 5.280 588 HA LEU 76 HA LEU 76 0.678 -6.724 3.174 589 HB2 LEU 76 HB3 LEU 76 2.829 -8.060 3.418 590 HB3 LEU 76 HB2 LEU 76 1.975 -8.959 4.693 591 HG LEU 76 HG LEU 76 0.204 -9.345 3.000 592 HD11 LEU 76 HD11 LEU 76 0.633 -9.497 0.763 593 HD12 LEU 76 HD12 LEU 76 2.206 -8.709 0.990 594 HD13 LEU 76 HD13 LEU 76 0.737 -7.862 1.406 595 HD21 LEU 76 HD21 LEU 76 0.863 -11.374 3.167 596 HD22 LEU 76 HD22 LEU 76 2.483 -10.866 3.659 597 HD23 LEU 76 HD23 LEU 76 2.127 -11.113 1.939 598 H THR 77 H THR 77 0.970 -8.304 6.131 599 HA THR 77 HA THR 77 -1.194 -9.947 6.315 600 HB THR 77 HB THR 77 0.057 -8.328 8.452 601 HG1 THR 77 HG1 THR 77 1.516 -9.744 7.621 602 HG21 THR 77 HG21 THR 77 -2.090 -10.230 8.486 603 HG22 THR 77 HG22 THR 77 -1.692 -8.899 9.585 604 HG23 THR 77 HG23 THR 77 -0.849 -10.483 9.762 605 H MET 78 H MET 78 -1.077 -6.635 7.205 606 HA MET 78 HA MET 78 -3.781 -6.414 7.972 607 HB2 MET 78 HB3 MET 78 -1.877 -4.248 7.094 608 HB3 MET 78 HB2 MET 78 -3.511 -3.938 7.685 609 HG2 MET 78 HG3 MET 78 -1.456 -5.475 9.203 610 HG3 MET 78 HG2 MET 78 -1.775 -3.729 9.443 611 HE1 MET 78 HE1 MET 78 -1.562 -5.187 11.652 612 HE2 MET 78 HE2 MET 78 -2.913 -6.013 12.426 613 HE3 MET 78 HE3 MET 78 -2.860 -4.248 12.378 614 H VAL 79 H VAL 79 -2.243 -6.096 4.824 615 HA VAL 79 HA VAL 79 -4.568 -5.142 3.449 616 HB VAL 79 HB VAL 79 -2.146 -6.647 2.391 617 HG11 VAL 79 HG11 VAL 79 -4.439 -6.005 1.028 618 HG12 VAL 79 HG12 VAL 79 -2.860 -6.342 0.314 619 HG13 VAL 79 HG13 VAL 79 -3.341 -4.684 0.632 620 HG21 VAL 79 HG21 VAL 79 -1.250 -4.383 1.844 621 HG22 VAL 79 HG22 VAL 79 -1.369 -4.753 3.564 622 HG23 VAL 79 HG23 VAL 79 -2.564 -3.700 2.809 623 H VAL 80 H VAL 80 -2.939 -8.235 3.757 624 HA VAL 80 HA VAL 80 -4.780 -9.914 2.454 625 HB VAL 80 HB VAL 80 -3.074 -10.556 4.914 626 HG11 VAL 80 HG11 VAL 80 -4.759 -12.232 4.618 627 HG12 VAL 80 HG12 VAL 80 -3.172 -12.879 4.177 628 HG13 VAL 80 HG13 VAL 80 -4.325 -12.432 2.919 629 HG21 VAL 80 HG21 VAL 80 -2.320 -10.094 2.144 630 HG22 VAL 80 HG22 VAL 80 -1.842 -11.698 2.724 631 HG23 VAL 80 HG23 VAL 80 -1.312 -10.252 3.578 632 H ASP 81 H ASP 81 -4.526 -9.190 5.648 633 HA ASP 81 HA ASP 81 -6.804 -10.412 6.644 634 HB2 ASP 81 HB3 ASP 81 -5.156 -9.631 8.277 635 HB3 ASP 81 HB2 ASP 81 -5.662 -7.964 7.985 636 H TYR 82 H TYR 82 -6.473 -7.195 5.550 637 HA TYR 82 HA TYR 82 -9.028 -6.038 5.953 638 HB2 TYR 82 HB3 TYR 82 -7.407 -4.678 5.084 639 HB3 TYR 82 HB2 TYR 82 -7.092 -5.735 3.700 640 HD1 TYR 82 HD1 TYR 82 -9.902 -3.604 5.194 641 HD2 TYR 82 HD2 TYR 82 -8.029 -5.319 1.779 642 HE1 TYR 82 HE1 TYR 82 -11.419 -2.425 3.762 643 HE2 TYR 82 HE2 TYR 82 -9.553 -4.152 0.335 644 HH TYR 82 HH TYR 82 -11.425 -2.959 0.272 645 H ARG 83 H ARG 83 -7.768 -7.903 3.259 646 HA ARG 83 HA ARG 83 -10.017 -8.004 1.703 647 HB2 ARG 83 HB3 ARG 83 -8.122 -8.596 0.588 648 HB3 ARG 83 HB2 ARG 83 -7.470 -9.490 1.931 649 HG2 ARG 83 HG3 ARG 83 -9.741 -10.594 0.350 650 HG3 ARG 83 HG2 ARG 83 -8.061 -10.757 -0.262 651 HD2 ARG 83 HD3 ARG 83 -7.561 -11.812 1.968 652 HD3 ARG 83 HD2 ARG 83 -9.286 -11.772 2.323 653 HE ARG 83 HE ARG 83 -8.870 -13.070 -0.112 654 HH11 ARG 83 HH11 ARG 83 -8.508 -13.637 3.423 655 HH12 ARG 83 HH12 ARG 83 -8.471 -15.319 3.281 656 HH21 ARG 83 HH22 ARG 83 -8.768 -15.480 -0.251 657 HH22 ARG 83 HH21 ARG 83 -8.537 -16.375 1.165 658 H THR 84 H THR 84 -8.924 -10.046 4.038 659 HA THR 84 HA THR 84 -11.040 -11.951 4.111 660 HB THR 84 HB THR 84 -9.112 -11.021 6.115 661 HG1 THR 84 HG1 THR 84 -7.770 -12.109 5.049 662 HG21 THR 84 HG21 THR 84 -11.215 -12.943 6.273 663 HG22 THR 84 HG22 THR 84 -10.322 -12.054 7.513 664 HG23 THR 84 HG23 THR 84 -9.627 -13.572 6.827 665 H ARG 85 H ARG 85 -10.354 -9.773 6.416 666 HA ARG 85 HA ARG 85 -12.439 -9.759 8.095 667 HB2 ARG 85 HB3 ARG 85 -11.975 -7.547 9.123 668 HB3 ARG 85 HB2 ARG 85 -10.473 -8.364 8.751 669 HG2 ARG 85 HG3 ARG 85 -10.230 -7.065 6.740 670 HG3 ARG 85 HG2 ARG 85 -11.759 -6.274 7.014 671 HD2 ARG 85 HD3 ARG 85 -10.123 -4.708 7.670 672 HD3 ARG 85 HD2 ARG 85 -10.839 -5.483 9.105 673 HE ARG 85 HE ARG 85 -8.603 -6.916 8.870 674 HH11 ARG 85 HH11 ARG 85 -8.838 -3.321 8.690 675 HH12 ARG 85 HH12 ARG 85 -7.398 -3.037 9.512 676 HH21 ARG 85 HH22 ARG 85 -6.771 -6.544 9.989 677 HH22 ARG 85 HH21 ARG 85 -6.100 -4.980 10.321 678 H VAL 86 H VAL 86 -12.163 -7.539 5.772 679 HA VAL 86 HA VAL 86 -14.800 -6.427 5.778 680 HB VAL 86 HB VAL 86 -12.776 -6.296 3.570 681 HG11 VAL 86 HG11 VAL 86 -15.343 -5.800 2.982 682 HG12 VAL 86 HG12 VAL 86 -14.114 -4.647 2.456 683 HG13 VAL 86 HG13 VAL 86 -15.059 -4.321 3.903 684 HG21 VAL 86 HG21 VAL 86 -13.050 -5.130 6.082 685 HG22 VAL 86 HG22 VAL 86 -13.267 -3.836 4.898 686 HG23 VAL 86 HG23 VAL 86 -11.816 -4.830 4.852 687 H LEU 87 H LEU 87 -13.470 -9.069 4.029 688 HA LEU 87 HA LEU 87 -15.623 -9.755 2.319 689 HB2 LEU 87 HB3 LEU 87 -13.234 -10.505 2.304 690 HB3 LEU 87 HB2 LEU 87 -13.513 -11.307 3.810 691 HG LEU 87 HG LEU 87 -13.195 -12.832 2.036 692 HD11 LEU 87 HD11 LEU 87 -14.489 -13.683 3.721 693 HD12 LEU 87 HD12 LEU 87 -15.256 -14.237 2.222 694 HD13 LEU 87 HD13 LEU 87 -15.966 -12.906 3.161 695 HD21 LEU 87 HD21 LEU 87 -13.781 -12.045 0.044 696 HD22 LEU 87 HD22 LEU 87 -15.174 -11.165 0.668 697 HD23 LEU 87 HD23 LEU 87 -15.313 -12.905 0.361 698 H LYS 88 H LYS 88 -14.540 -10.794 5.502 699 HA LYS 88 HA LYS 88 -16.580 -12.500 6.115 700 HB2 LYS 88 HB3 LYS 88 -14.199 -12.389 7.012 701 HB3 LYS 88 HB2 LYS 88 -14.739 -11.106 8.062 702 HG2 LYS 88 HG3 LYS 88 -14.694 -13.248 9.229 703 HG3 LYS 88 HG2 LYS 88 -16.343 -12.620 9.127 704 HD2 LYS 88 HD3 LYS 88 -16.815 -14.068 7.231 705 HD3 LYS 88 HD2 LYS 88 -15.159 -14.647 7.230 706 HE2 LYS 88 HE3 LYS 88 -17.129 -15.037 9.475 707 HE3 LYS 88 HE2 LYS 88 -16.762 -16.220 8.218 708 HZ1 LYS 88 HZ1 LYS 88 -14.387 -16.040 9.020 709 HZ2 LYS 88 HZ2 LYS 88 -15.514 -16.819 10.021 710 HZ3 LYS 88 HZ3 LYS 88 -15.020 -15.263 10.420 711 H ILE 89 H ILE 89 -16.326 -9.029 6.699 712 HA ILE 89 HA ILE 89 -18.383 -8.886 8.617 713 HB ILE 89 HB ILE 89 -16.991 -6.987 6.791 714 HG12 ILE 89 HG13 ILE 89 -16.787 -7.298 9.808 715 HG13 ILE 89 HG12 ILE 89 -15.592 -7.743 8.571 716 HG21 ILE 89 HG21 ILE 89 -19.458 -6.559 8.041 717 HG22 ILE 89 HG22 ILE 89 -18.567 -5.624 6.869 718 HG23 ILE 89 HG23 ILE 89 -18.263 -5.354 8.619 719 HD11 ILE 89 HD11 ILE 89 -15.038 -5.524 8.130 720 HD12 ILE 89 HD12 ILE 89 -15.166 -5.645 9.878 721 HD13 ILE 89 HD13 ILE 89 -16.470 -4.905 8.960 722 H SER 90 H SER 90 -17.988 -8.233 5.190 723 HA SER 90 HA SER 90 -20.727 -7.486 4.846 724 HB2 SER 90 HB3 SER 90 -18.566 -7.925 2.793 725 HB3 SER 90 HB2 SER 90 -20.092 -7.034 2.596 726 HG SER 90 HG SER 90 -17.761 -6.344 3.887 Start of MODEL 8 1 H1 MET 1 H MET 1 -15.296 0.498 2.689 2 H2 MET 1 H2 MET 1 -16.452 1.545 2.123 3 H3 MET 1 H3 MET 1 -15.858 0.339 1.102 4 HA MET 1 HA MET 1 -13.897 1.420 0.694 5 HB2 MET 1 HB3 MET 1 -15.858 3.645 1.322 6 HB3 MET 1 HB2 MET 1 -14.389 3.877 0.403 7 HG2 MET 1 HG3 MET 1 -15.203 2.350 -1.322 8 HG3 MET 1 HG2 MET 1 -16.708 2.141 -0.409 9 HE1 MET 1 HE1 MET 1 -17.561 4.379 -3.604 10 HE2 MET 1 HE2 MET 1 -18.235 3.088 -2.634 11 HE3 MET 1 HE3 MET 1 -16.643 2.883 -3.358 12 H ALA 2 H ALA 2 -15.380 2.750 3.393 13 HA ALA 2 HA ALA 2 -13.182 4.220 4.451 14 HB1 ALA 2 HB1 ALA 2 -14.992 3.083 6.547 15 HB2 ALA 2 HB2 ALA 2 -15.718 4.181 5.391 16 HB3 ALA 2 HB3 ALA 2 -14.366 4.717 6.408 17 H GLU 3 H GLU 3 -14.173 1.091 5.540 18 HA GLU 3 HA GLU 3 -12.227 0.336 7.147 19 HB2 GLU 3 HB3 GLU 3 -13.047 -1.543 4.877 20 HB3 GLU 3 HB2 GLU 3 -12.503 -1.969 6.484 21 HG2 GLU 3 HG3 GLU 3 -14.837 -2.398 6.388 22 HG3 GLU 3 HG2 GLU 3 -14.625 -0.933 7.349 23 H TYR 4 H TYR 4 -12.201 0.217 3.915 24 HA TYR 4 HA TYR 4 -9.533 -0.640 3.252 25 HB2 TYR 4 HB3 TYR 4 -11.209 -0.540 1.437 26 HB3 TYR 4 HB2 TYR 4 -11.083 1.243 1.390 27 HD1 TYR 4 HD1 TYR 4 -8.642 -1.515 1.579 28 HD2 TYR 4 HD2 TYR 4 -9.978 1.807 -0.728 29 HE1 TYR 4 HE1 TYR 4 -6.794 -1.864 0.005 30 HE2 TYR 4 HE2 TYR 4 -8.135 1.462 -2.276 31 HH TYR 4 HH TYR 4 -6.623 -0.470 -2.989 32 H GLY 5 H GLY 5 -10.909 2.415 3.484 33 HA2 GLY 5 HA3 GLY 5 -8.761 4.268 3.236 34 HA3 GLY 5 HA2 GLY 5 -10.115 4.588 4.316 35 H THR 6 H THR 6 -9.809 2.674 6.322 36 HA THR 6 HA THR 6 -7.653 3.645 7.875 37 HB THR 6 HB THR 6 -9.383 1.194 8.212 38 HG1 THR 6 HG1 THR 6 -9.997 3.469 9.637 39 HG21 THR 6 HG21 THR 6 -8.908 1.457 10.523 40 HG22 THR 6 HG22 THR 6 -8.070 2.985 10.188 41 HG23 THR 6 HG23 THR 6 -7.396 1.459 9.589 42 H LEU 7 H LEU 7 -8.230 0.729 6.215 43 HA LEU 7 HA LEU 7 -6.028 -0.910 6.723 44 HB2 LEU 7 HB3 LEU 7 -7.558 -1.660 5.015 45 HB3 LEU 7 HB2 LEU 7 -7.083 -0.354 3.958 46 HG LEU 7 HG LEU 7 -4.882 -1.355 3.686 47 HD11 LEU 7 HD11 LEU 7 -4.280 -2.570 5.446 48 HD12 LEU 7 HD12 LEU 7 -4.938 -3.881 4.465 49 HD13 LEU 7 HD13 LEU 7 -5.899 -3.176 5.754 50 HD21 LEU 7 HD21 LEU 7 -5.590 -2.681 2.005 51 HD22 LEU 7 HD22 LEU 7 -7.178 -2.081 2.472 52 HD23 LEU 7 HD23 LEU 7 -6.628 -3.650 3.046 53 H LEU 8 H LEU 8 -6.005 1.324 4.353 54 HA LEU 8 HA LEU 8 -3.203 1.526 3.683 55 HB2 LEU 8 HB3 LEU 8 -5.215 3.771 3.403 56 HB3 LEU 8 HB2 LEU 8 -3.520 3.868 2.946 57 HG LEU 8 HG LEU 8 -3.800 2.319 1.148 58 HD11 LEU 8 HD11 LEU 8 -6.691 1.926 1.814 59 HD12 LEU 8 HD12 LEU 8 -5.411 0.832 2.357 60 HD13 LEU 8 HD13 LEU 8 -5.698 1.073 0.631 61 HD21 LEU 8 HD21 LEU 8 -5.133 3.560 -0.303 62 HD22 LEU 8 HD22 LEU 8 -4.640 4.697 0.948 63 HD23 LEU 8 HD23 LEU 8 -6.268 4.007 0.979 64 H GLN 9 H GLN 9 -5.077 3.161 6.068 65 HA GLN 9 HA GLN 9 -3.033 4.774 7.074 66 HB2 GLN 9 HB3 GLN 9 -5.096 5.713 7.086 67 HB3 GLN 9 HB2 GLN 9 -5.842 4.210 7.599 68 HG2 GLN 9 HG3 GLN 9 -5.488 4.469 9.568 69 HG3 GLN 9 HG2 GLN 9 -3.999 5.507 9.501 70 HE21 GLN 9 HE22 GLN 9 -4.376 7.602 9.668 71 HE22 GLN 9 HE21 GLN 9 -5.909 8.396 9.793 72 H ASP 10 H ASP 10 -3.998 1.799 7.733 73 HA ASP 10 HA ASP 10 -2.885 1.550 10.451 74 HB2 ASP 10 HB3 ASP 10 -4.158 -0.728 8.929 75 HB3 ASP 10 HB2 ASP 10 -3.166 -0.981 10.352 76 H LEU 11 H LEU 11 -1.918 0.691 7.237 77 HA LEU 11 HA LEU 11 0.461 -0.433 8.265 78 HB2 LEU 11 HB3 LEU 11 1.103 -0.752 5.972 79 HB3 LEU 11 HB2 LEU 11 -0.418 -1.549 6.371 80 HG LEU 11 HG LEU 11 -1.360 0.607 5.298 81 HD11 LEU 11 HD11 LEU 11 1.285 1.079 5.107 82 HD12 LEU 11 HD12 LEU 11 0.008 1.922 4.218 83 HD13 LEU 11 HD13 LEU 11 0.880 0.577 3.461 84 HD21 LEU 11 HD21 LEU 11 -0.729 -0.850 2.998 85 HD22 LEU 11 HD22 LEU 11 -2.118 -1.096 4.051 86 HD23 LEU 11 HD23 LEU 11 -0.664 -2.036 4.297 87 H THR 12 H THR 12 -0.685 2.427 7.156 88 HA THR 12 HA THR 12 1.726 3.967 6.800 89 HB THR 12 HB THR 12 -1.150 4.670 7.154 90 HG1 THR 12 HG1 THR 12 -0.839 3.987 5.198 91 HG21 THR 12 HG21 THR 12 -0.729 6.655 7.702 92 HG22 THR 12 HG22 THR 12 0.014 6.813 6.089 93 HG23 THR 12 HG23 THR 12 1.047 6.399 7.537 94 H ASN 13 H ASN 13 -0.367 3.253 9.543 95 HA ASN 13 HA ASN 13 0.929 4.892 11.472 96 HB2 ASN 13 HB3 ASN 13 -0.608 2.307 11.967 97 HB3 ASN 13 HB2 ASN 13 0.027 3.316 13.243 98 HD21 ASN 13 HD22 ASN 13 -2.791 2.517 11.968 99 HD22 ASN 13 HD21 ASN 13 -3.629 4.012 12.042 100 H ASN 14 H ASN 14 1.568 1.772 10.217 101 HA ASN 14 HA ASN 14 3.751 1.304 12.096 102 HB2 ASN 14 HB3 ASN 14 2.691 -0.484 9.860 103 HB3 ASN 14 HB2 ASN 14 4.009 -0.884 10.922 104 HD21 ASN 14 HD22 ASN 14 0.710 -1.091 10.526 105 HD22 ASN 14 HD21 ASN 14 0.311 -1.551 12.137 106 H ILE 15 H ILE 15 3.376 2.838 9.202 107 HA ILE 15 HA ILE 15 5.845 2.132 7.992 108 HB ILE 15 HB ILE 15 3.588 3.950 7.300 109 HG12 ILE 15 HG13 ILE 15 3.721 1.611 6.594 110 HG13 ILE 15 HG12 ILE 15 3.614 2.748 5.230 111 HG21 ILE 15 HG21 ILE 15 6.293 4.674 6.600 112 HG22 ILE 15 HG22 ILE 15 4.767 5.564 6.396 113 HG23 ILE 15 HG23 ILE 15 5.263 4.354 5.203 114 HD11 ILE 15 HD11 ILE 15 6.032 1.250 6.219 115 HD12 ILE 15 HD12 ILE 15 6.087 2.636 5.129 116 HD13 ILE 15 HD13 ILE 15 5.247 1.189 4.604 117 H THR 16 H THR 16 7.764 2.825 8.504 118 HA THR 16 HA THR 16 8.162 5.359 9.747 119 HB THR 16 HB THR 16 10.507 4.722 9.721 120 HG1 THR 16 HG1 THR 16 10.132 2.048 9.180 121 HG21 THR 16 HG21 THR 16 10.505 3.157 11.393 122 HG22 THR 16 HG22 THR 16 8.924 2.512 10.852 123 HG23 THR 16 HG23 THR 16 9.040 4.174 11.546 124 H LEU 17 H LEU 17 9.365 6.657 8.690 125 HA LEU 17 HA LEU 17 9.040 7.121 5.874 126 HB2 LEU 17 HB3 LEU 17 9.833 8.874 7.335 127 HB3 LEU 17 HB2 LEU 17 11.362 8.033 7.535 128 HG LEU 17 HG LEU 17 11.182 10.031 6.064 129 HD11 LEU 17 HD11 LEU 17 13.189 9.263 5.142 130 HD12 LEU 17 HD12 LEU 17 12.318 8.137 4.116 131 HD13 LEU 17 HD13 LEU 17 12.756 7.667 5.751 132 HD21 LEU 17 HD21 LEU 17 9.282 9.743 4.797 133 HD22 LEU 17 HD22 LEU 17 9.709 8.094 4.328 134 HD23 LEU 17 HD23 LEU 17 10.582 9.451 3.632 135 H GLU 18 H GLU 18 11.748 5.603 7.504 136 HA GLU 18 HA GLU 18 13.087 4.801 5.175 137 HB2 GLU 18 HB3 GLU 18 13.213 3.590 7.939 138 HB3 GLU 18 HB2 GLU 18 14.355 3.213 6.651 139 HG2 GLU 18 HG3 GLU 18 15.117 5.515 6.588 140 HG3 GLU 18 HG2 GLU 18 13.902 5.993 7.765 141 H ASP 19 H ASP 19 10.990 2.921 7.113 142 HA ASP 19 HA ASP 19 10.988 0.593 5.562 143 HB2 ASP 19 HB3 ASP 19 8.780 1.502 7.415 144 HB3 ASP 19 HB2 ASP 19 8.553 0.021 6.453 145 H LEU 20 H LEU 20 8.578 3.136 5.232 146 HA LEU 20 HA LEU 20 7.371 2.264 2.923 147 HB2 LEU 20 HB3 LEU 20 6.891 4.504 4.093 148 HB3 LEU 20 HB2 LEU 20 8.259 5.058 3.105 149 HG LEU 20 HG LEU 20 7.181 4.339 1.100 150 HD11 LEU 20 HD11 LEU 20 4.713 3.945 1.096 151 HD12 LEU 20 HD12 LEU 20 4.818 3.679 2.830 152 HD13 LEU 20 HD13 LEU 20 5.709 2.634 1.711 153 HD21 LEU 20 HD21 LEU 20 5.429 6.253 2.588 154 HD22 LEU 20 HD22 LEU 20 5.737 6.200 0.854 155 HD23 LEU 20 HD23 LEU 20 7.034 6.651 1.948 156 H GLU 21 H GLU 21 10.386 3.898 3.120 157 HA GLU 21 HA GLU 21 10.765 4.188 0.331 158 HB2 GLU 21 HB3 GLU 21 12.885 4.099 2.464 159 HB3 GLU 21 HB2 GLU 21 13.238 4.444 0.774 160 HG2 GLU 21 HG3 GLU 21 11.696 6.374 0.919 161 HG3 GLU 21 HG2 GLU 21 11.498 6.044 2.642 162 H GLN 22 H GLN 22 11.404 1.772 2.402 163 HA GLN 22 HA GLN 22 12.786 0.103 0.537 164 HB2 GLN 22 HB3 GLN 22 12.928 -0.357 3.028 165 HB3 GLN 22 HB2 GLN 22 11.303 -1.029 2.887 166 HG2 GLN 22 HG3 GLN 22 12.025 -2.739 1.423 167 HG3 GLN 22 HG2 GLN 22 13.631 -2.036 1.300 168 HE21 GLN 22 HE22 GLN 22 11.974 -4.349 2.607 169 HE22 GLN 22 HE21 GLN 22 12.954 -4.729 4.030 170 H LEU 23 H LEU 23 9.290 0.278 1.451 171 HA LEU 23 HA LEU 23 8.383 -1.587 -0.364 172 HB2 LEU 23 HB3 LEU 23 7.171 1.026 0.609 173 HB3 LEU 23 HB2 LEU 23 6.301 -0.246 -0.229 174 HG LEU 23 HG LEU 23 7.579 -0.472 2.465 175 HD11 LEU 23 HD11 LEU 23 5.205 -0.541 3.216 176 HD12 LEU 23 HD12 LEU 23 4.751 -0.046 1.580 177 HD13 LEU 23 HD13 LEU 23 5.745 1.020 2.593 178 HD21 LEU 23 HD21 LEU 23 6.799 -2.584 2.625 179 HD22 LEU 23 HD22 LEU 23 7.239 -2.497 0.919 180 HD23 LEU 23 HD23 LEU 23 5.533 -2.324 1.394 181 H LYS 24 H LYS 24 9.197 1.655 -0.516 182 HA LYS 24 HA LYS 24 8.424 2.212 -3.235 183 HB2 LYS 24 HB3 LYS 24 10.669 3.702 -1.843 184 HB3 LYS 24 HB2 LYS 24 9.864 4.212 -3.310 185 HG2 LYS 24 HG3 LYS 24 8.602 4.200 -0.482 186 HG3 LYS 24 HG2 LYS 24 9.149 5.575 -1.379 187 HD2 LYS 24 HD3 LYS 24 6.860 5.573 -1.327 188 HD3 LYS 24 HD2 LYS 24 7.320 5.210 -2.970 189 HE2 LYS 24 HE3 LYS 24 6.429 3.144 -0.945 190 HE3 LYS 24 HE2 LYS 24 5.317 3.975 -2.013 191 HZ1 LYS 24 HZ1 LYS 24 5.642 2.193 -3.245 192 HZ2 LYS 24 HZ2 LYS 24 7.107 1.771 -2.528 193 HZ3 LYS 24 HZ3 LYS 24 7.068 2.952 -3.741 194 H SER 25 H SER 25 11.120 1.466 -2.072 195 HA SER 25 HA SER 25 12.993 0.990 -4.211 196 HB2 SER 25 HB3 SER 25 13.076 -0.784 -1.727 197 HB3 SER 25 HB2 SER 25 14.371 -0.637 -2.913 198 HG SER 25 HG SER 25 13.329 1.446 -1.285 199 H ALA 26 H ALA 26 10.948 -1.135 -2.720 200 HA ALA 26 HA ALA 26 11.024 -3.322 -4.589 201 HB1 ALA 26 HB1 ALA 26 8.560 -2.605 -3.046 202 HB2 ALA 26 HB2 ALA 26 9.971 -3.303 -2.243 203 HB3 ALA 26 HB3 ALA 26 9.137 -4.216 -3.504 204 H CYS 27 H CYS 27 8.768 -0.557 -4.301 205 HA CYS 27 HA CYS 27 7.436 -1.177 -6.696 206 HB2 CYS 27 HB3 CYS 27 7.503 1.474 -5.294 207 HB3 CYS 27 HB2 CYS 27 6.416 0.901 -6.545 208 HG CYS 27 HG CYS 27 5.100 -0.898 -4.999 209 H LYS 28 H LYS 28 10.488 0.061 -6.477 210 HA LYS 28 HA LYS 28 10.521 2.487 -7.670 211 HB2 LYS 28 HB3 LYS 28 12.903 2.093 -8.148 212 HB3 LYS 28 HB2 LYS 28 12.425 1.311 -6.640 213 HG2 LYS 28 HG3 LYS 28 12.286 -0.812 -7.698 214 HG3 LYS 28 HG2 LYS 28 12.723 -0.135 -9.262 215 HD2 LYS 28 HD3 LYS 28 14.922 0.542 -8.253 216 HD3 LYS 28 HD2 LYS 28 14.424 -0.288 -6.771 217 HE2 LYS 28 HE3 LYS 28 14.816 -1.526 -9.497 218 HE3 LYS 28 HE2 LYS 28 15.855 -1.731 -8.099 219 HZ1 LYS 28 HZ1 LYS 28 13.452 -2.531 -7.124 220 HZ2 LYS 28 HZ2 LYS 28 14.620 -3.575 -7.769 221 HZ3 LYS 28 HZ3 LYS 28 13.374 -3.068 -8.745 222 H GLU 29 H GLU 29 10.510 -0.502 -9.277 223 HA GLU 29 HA GLU 29 10.650 0.473 -11.903 224 HB2 GLU 29 HB3 GLU 29 10.099 -2.153 -10.641 225 HB3 GLU 29 HB2 GLU 29 10.317 -1.953 -12.393 226 HG2 GLU 29 HG3 GLU 29 12.547 -1.089 -12.112 227 HG3 GLU 29 HG2 GLU 29 12.328 -0.962 -10.383 228 H ASP 30 H ASP 30 7.962 -0.405 -9.751 229 HA ASP 30 HA ASP 30 6.038 -0.195 -11.908 230 HB2 ASP 30 HB3 ASP 30 5.671 -0.869 -9.021 231 HB3 ASP 30 HB2 ASP 30 4.312 -0.548 -10.076 232 H ILE 31 H ILE 31 6.728 1.721 -9.023 233 HA ILE 31 HA ILE 31 4.672 3.575 -9.928 234 HB ILE 31 HB ILE 31 4.772 2.805 -7.480 235 HG12 ILE 31 HG13 ILE 31 3.655 5.010 -8.005 236 HG13 ILE 31 HG12 ILE 31 4.322 4.903 -6.389 237 HG21 ILE 31 HG21 ILE 31 7.178 4.522 -7.266 238 HG22 ILE 31 HG22 ILE 31 7.185 2.753 -7.302 239 HG23 ILE 31 HG23 ILE 31 6.376 3.623 -5.974 240 HD11 ILE 31 HD11 ILE 31 5.693 6.572 -6.714 241 HD12 ILE 31 HD12 ILE 31 4.725 6.999 -8.136 242 HD13 ILE 31 HD13 ILE 31 6.160 5.996 -8.336 243 HA PRO 32 HA PRO 32 7.579 5.535 -12.162 244 HB2 PRO 32 HB2 PRO 32 6.716 8.246 -12.009 245 HB3 PRO 32 HB3 PRO 32 6.344 7.010 -13.238 246 HG2 PRO 32 HG3 PRO 32 4.802 7.873 -10.881 247 HG3 PRO 32 HG2 PRO 32 4.271 7.265 -12.466 248 HD2 PRO 32 HD3 PRO 32 4.205 5.800 -10.215 249 HD3 PRO 32 HD2 PRO 32 4.445 5.094 -11.844 250 H SER 33 H SER 33 9.410 6.352 -12.002 251 HA SER 33 HA SER 33 10.871 6.539 -9.628 252 HB2 SER 33 HB3 SER 33 12.061 6.189 -11.722 253 HB3 SER 33 HB2 SER 33 11.651 7.820 -12.254 254 HG SER 33 HG SER 33 12.952 8.178 -9.998 255 H GLU 34 H GLU 34 10.130 9.143 -11.569 256 HA GLU 34 HA GLU 34 10.749 11.374 -9.953 257 HB2 GLU 34 HB3 GLU 34 9.832 11.859 -12.220 258 HB3 GLU 34 HB2 GLU 34 8.205 11.473 -11.641 259 HG2 GLU 34 HG3 GLU 34 8.422 13.277 -9.954 260 HG3 GLU 34 HG2 GLU 34 9.959 13.708 -10.661 261 H LYS 35 H LYS 35 7.936 9.657 -9.912 262 HA LYS 35 HA LYS 35 6.706 11.177 -7.897 263 HB2 LYS 35 HB3 LYS 35 5.909 8.460 -8.787 264 HB3 LYS 35 HB2 LYS 35 4.963 9.472 -7.719 265 HG2 LYS 35 HG3 LYS 35 5.789 10.144 -10.471 266 HG3 LYS 35 HG2 LYS 35 4.195 9.482 -10.067 267 HD2 LYS 35 HD3 LYS 35 3.707 11.827 -10.086 268 HD3 LYS 35 HD2 LYS 35 4.311 11.509 -8.440 269 HE2 LYS 35 HE3 LYS 35 6.400 12.335 -8.835 270 HE3 LYS 35 HE2 LYS 35 6.174 12.402 -10.582 271 HZ1 LYS 35 HZ1 LYS 35 5.247 14.190 -8.453 272 HZ2 LYS 35 HZ2 LYS 35 4.404 14.176 -9.951 273 HZ3 LYS 35 HZ3 LYS 35 6.036 14.555 -9.918 274 H SER 36 H SER 36 8.027 7.873 -7.782 275 HA SER 36 HA SER 36 7.710 7.384 -5.114 276 HB2 SER 36 HB3 SER 36 8.445 5.728 -6.759 277 HB3 SER 36 HB2 SER 36 10.010 6.558 -6.895 278 HG SER 36 HG SER 36 10.287 6.125 -4.652 279 H GLU 37 H GLU 37 9.836 9.325 -6.648 280 HA GLU 37 HA GLU 37 11.831 9.785 -4.649 281 HB2 GLU 37 HB3 GLU 37 10.983 11.716 -6.842 282 HB3 GLU 37 HB2 GLU 37 12.420 11.899 -5.809 283 HG2 GLU 37 HG3 GLU 37 13.398 9.916 -6.718 284 HG3 GLU 37 HG2 GLU 37 11.927 9.513 -7.580 285 H GLU 38 H GLU 38 8.776 11.820 -5.237 286 HA GLU 38 HA GLU 38 9.317 13.185 -2.940 287 HB2 GLU 38 HB3 GLU 38 7.300 14.316 -3.505 288 HB3 GLU 38 HB2 GLU 38 8.318 14.169 -4.913 289 HG2 GLU 38 HG3 GLU 38 6.774 12.325 -5.763 290 HG3 GLU 38 HG2 GLU 38 5.839 12.548 -4.324 291 H ILE 39 H ILE 39 8.262 10.156 -3.061 292 HA ILE 39 HA ILE 39 5.943 10.407 -1.393 293 HB ILE 39 HB ILE 39 7.357 7.931 -2.378 294 HG12 ILE 39 HG13 ILE 39 4.766 9.206 -3.213 295 HG13 ILE 39 HG12 ILE 39 6.282 9.367 -4.114 296 HG21 ILE 39 HG21 ILE 39 5.964 6.751 -1.023 297 HG22 ILE 39 HG22 ILE 39 4.591 7.614 -1.737 298 HG23 ILE 39 HG23 ILE 39 5.394 8.270 -0.317 299 HD11 ILE 39 HD11 ILE 39 5.903 7.523 -5.094 300 HD12 ILE 39 HD12 ILE 39 4.288 7.527 -4.376 301 HD13 ILE 39 HD13 ILE 39 5.596 6.654 -3.559 302 H THR 40 H THR 40 7.432 11.583 0.114 303 HA THR 40 HA THR 40 8.865 9.898 1.988 304 HB THR 40 HB THR 40 9.846 11.978 1.424 305 HG1 THR 40 HG1 THR 40 8.973 11.693 4.010 306 HG21 THR 40 HG21 THR 40 8.351 13.389 0.600 307 HG22 THR 40 HG22 THR 40 8.393 14.093 2.233 308 HG23 THR 40 HG23 THR 40 7.124 12.936 1.751 309 H THR 41 H THR 41 5.928 9.522 1.832 310 HA THR 41 HA THR 41 5.581 9.011 4.468 311 HB THR 41 HB THR 41 4.928 11.112 4.908 312 HG1 THR 41 HG1 THR 41 3.084 10.770 5.983 313 HG21 THR 41 HG21 THR 41 2.483 11.685 3.572 314 HG22 THR 41 HG22 THR 41 3.674 11.219 2.373 315 HG23 THR 41 HG23 THR 41 4.009 12.568 3.453 316 H GLY 42 H GLY 42 3.779 7.686 5.007 317 HA2 GLY 42 HA3 GLY 42 3.448 5.770 2.925 318 HA3 GLY 42 HA2 GLY 42 2.540 5.722 4.441 319 H SER 43 H SER 43 0.900 8.004 4.433 320 HA SER 43 HA SER 43 -1.079 7.516 2.837 321 HB2 SER 43 HB3 SER 43 -0.038 10.114 3.948 322 HB3 SER 43 HB2 SER 43 -1.720 9.802 3.507 323 HG SER 43 HG SER 43 -1.933 8.469 5.181 324 H ALA 44 H ALA 44 1.552 9.589 2.323 325 HA ALA 44 HA ALA 44 0.825 11.006 -0.020 326 HB1 ALA 44 HB1 ALA 44 3.511 10.584 -0.591 327 HB2 ALA 44 HB2 ALA 44 3.415 10.479 1.173 328 HB3 ALA 44 HB3 ALA 44 2.831 11.913 0.355 329 H TRP 45 H TRP 45 2.495 7.952 0.168 330 HA TRP 45 HA TRP 45 2.577 7.361 -2.592 331 HB2 TRP 45 HB3 TRP 45 3.866 6.180 -0.754 332 HB3 TRP 45 HB2 TRP 45 2.341 5.451 -0.302 333 HD1 TRP 45 HD1 TRP 45 3.915 5.791 -3.850 334 HE1 TRP 45 HE1 TRP 45 3.852 3.384 -4.885 335 HE3 TRP 45 HE3 TRP 45 2.123 3.149 0.137 336 HZ2 TRP 45 HZ2 TRP 45 3.306 0.875 -4.119 337 HZ3 TRP 45 HZ3 TRP 45 1.928 0.738 -0.112 338 HH2 TRP 45 HH2 TRP 45 2.529 -0.340 -2.288 339 H PHE 46 H PHE 46 0.110 6.504 -0.143 340 HA PHE 46 HA PHE 46 -1.305 5.046 -2.017 341 HB2 PHE 46 HB3 PHE 46 -2.232 6.480 0.434 342 HB3 PHE 46 HB2 PHE 46 -3.260 5.416 -0.510 343 HD1 PHE 46 HD1 PHE 46 -2.087 3.171 -1.101 344 HD2 PHE 46 HD2 PHE 46 -1.319 5.518 2.376 345 HE1 PHE 46 HE1 PHE 46 -1.440 1.157 0.107 346 HE2 PHE 46 HE2 PHE 46 -0.700 3.515 3.606 347 HZ PHE 46 HZ PHE 46 -0.750 1.285 2.396 348 H SER 47 H SER 47 -1.684 8.117 -0.813 349 HA SER 47 HA SER 47 -3.784 9.029 -2.512 350 HB2 SER 47 HB3 SER 47 -1.746 10.757 -1.157 351 HB3 SER 47 HB2 SER 47 -3.284 11.333 -1.837 352 HG SER 47 HG SER 47 -3.885 9.283 -0.358 353 H PHE 48 H PHE 48 -0.411 9.011 -3.253 354 HA PHE 48 HA PHE 48 -0.693 10.481 -5.698 355 HB2 PHE 48 HB3 PHE 48 1.553 10.195 -4.909 356 HB3 PHE 48 HB2 PHE 48 1.340 8.445 -4.734 357 HD1 PHE 48 HD1 PHE 48 1.063 11.068 -7.435 358 HD2 PHE 48 HD2 PHE 48 2.100 7.102 -6.311 359 HE1 PHE 48 HE1 PHE 48 1.595 10.550 -9.735 360 HE2 PHE 48 HE2 PHE 48 2.683 6.594 -8.623 361 HZ PHE 48 HZ PHE 48 2.408 8.306 -10.357 362 H LEU 49 H LEU 49 -0.404 7.015 -4.782 363 HA LEU 49 HA LEU 49 -0.674 5.840 -7.160 364 HB2 LEU 49 HB3 LEU 49 -0.197 5.212 -4.730 365 HB3 LEU 49 HB2 LEU 49 -1.923 4.829 -4.698 366 HG LEU 49 HG LEU 49 -1.482 3.071 -6.484 367 HD11 LEU 49 HD11 LEU 49 0.448 3.090 -7.586 368 HD12 LEU 49 HD12 LEU 49 1.395 3.171 -6.083 369 HD13 LEU 49 HD13 LEU 49 0.795 4.631 -6.818 370 HD21 LEU 49 HD21 LEU 49 0.469 2.049 -4.774 371 HD22 LEU 49 HD22 LEU 49 -1.267 1.764 -4.672 372 HD23 LEU 49 HD23 LEU 49 -0.506 3.075 -3.758 373 H GLU 50 H GLU 50 -3.083 6.302 -4.785 374 HA GLU 50 HA GLU 50 -5.562 5.653 -5.902 375 HB2 GLU 50 HB3 GLU 50 -5.241 8.235 -4.355 376 HB3 GLU 50 HB2 GLU 50 -6.766 7.406 -4.667 377 HG2 GLU 50 HG3 GLU 50 -6.054 5.570 -3.264 378 HG3 GLU 50 HG2 GLU 50 -4.496 6.368 -3.009 379 H SER 51 H SER 51 -4.126 8.399 -6.057 380 HA SER 51 HA SER 51 -5.771 9.970 -7.844 381 HB2 SER 51 HB3 SER 51 -2.777 10.414 -7.713 382 HB3 SER 51 HB2 SER 51 -3.926 11.479 -8.535 383 HG SER 51 HG SER 51 -3.749 10.903 -5.762 384 H HIS 52 H HIS 52 -3.429 7.579 -8.573 385 HA HIS 52 HA HIS 52 -4.210 7.746 -11.402 386 HB2 HIS 52 HB3 HIS 52 -1.682 6.571 -10.255 387 HB3 HIS 52 HB2 HIS 52 -2.115 6.381 -11.989 388 HD1 HIS 52 HD1 HIS 52 0.163 7.804 -12.726 389 HD2 HIS 52 HD2 HIS 52 -2.259 9.471 -9.845 390 HE1 HIS 52 HE1 HIS 52 1.021 10.095 -12.485 391 H ASN 53 H ASN 53 -4.197 5.437 -12.478 392 HA ASN 53 HA ASN 53 -6.071 3.976 -10.872 393 HB2 ASN 53 HB3 ASN 53 -6.417 2.652 -12.967 394 HB3 ASN 53 HB2 ASN 53 -6.691 4.375 -13.154 395 HD21 ASN 53 HD22 ASN 53 -5.483 1.803 -14.604 396 HD22 ASN 53 HD21 ASN 53 -4.302 2.522 -15.642 397 H LYS 54 H LYS 54 -3.662 3.803 -9.703 398 HA LYS 54 HA LYS 54 -2.733 1.072 -10.197 399 HB2 LYS 54 HB3 LYS 54 -1.503 3.106 -8.329 400 HB3 LYS 54 HB2 LYS 54 -0.952 1.476 -8.659 401 HG2 LYS 54 HG3 LYS 54 -0.991 3.758 -10.660 402 HG3 LYS 54 HG2 LYS 54 0.411 3.100 -9.792 403 HD2 LYS 54 HD3 LYS 54 -1.348 1.530 -11.607 404 HD3 LYS 54 HD2 LYS 54 0.179 2.255 -12.148 405 HE2 LYS 54 HE3 LYS 54 1.369 0.906 -10.411 406 HE3 LYS 54 HE2 LYS 54 -0.165 0.154 -9.968 407 HZ1 LYS 54 HZ1 LYS 54 -0.138 -0.581 -12.500 408 HZ2 LYS 54 HZ2 LYS 54 0.740 -1.397 -11.341 409 HZ3 LYS 54 HZ3 LYS 54 1.536 -0.334 -12.339 410 H LEU 55 H LEU 55 -4.762 2.898 -8.156 411 HA LEU 55 HA LEU 55 -5.314 0.615 -6.572 412 HB2 LEU 55 HB3 LEU 55 -3.240 1.287 -5.456 413 HB3 LEU 55 HB2 LEU 55 -3.859 2.917 -5.216 414 HG LEU 55 HG LEU 55 -5.228 0.568 -3.956 415 HD11 LEU 55 HD11 LEU 55 -2.584 1.102 -3.461 416 HD12 LEU 55 HD12 LEU 55 -3.661 0.533 -2.188 417 HD13 LEU 55 HD13 LEU 55 -3.324 2.253 -2.355 418 HD21 LEU 55 HD21 LEU 55 -5.938 2.135 -2.261 419 HD22 LEU 55 HD22 LEU 55 -6.320 2.820 -3.842 420 HD23 LEU 55 HD23 LEU 55 -4.921 3.401 -2.932 421 H ASP 56 H ASP 56 -7.144 0.836 -7.271 422 HA ASP 56 HA ASP 56 -8.932 2.989 -6.668 423 HB2 ASP 56 HB3 ASP 56 -9.461 0.140 -7.478 424 HB3 ASP 56 HB2 ASP 56 -10.725 1.300 -7.128 425 H LYS 57 H LYS 57 -10.933 2.209 -5.604 426 HA LYS 57 HA LYS 57 -10.467 1.578 -2.889 427 HB2 LYS 57 HB3 LYS 57 -13.006 1.476 -2.783 428 HB3 LYS 57 HB2 LYS 57 -12.292 2.999 -3.244 429 HG2 LYS 57 HG3 LYS 57 -14.209 2.586 -4.645 430 HG3 LYS 57 HG2 LYS 57 -12.692 2.491 -5.558 431 HD2 LYS 57 HD3 LYS 57 -12.685 0.136 -5.360 432 HD3 LYS 57 HD2 LYS 57 -14.213 0.143 -4.495 433 HE2 LYS 57 HE3 LYS 57 -13.771 1.098 -7.365 434 HE3 LYS 57 HE2 LYS 57 -14.563 -0.400 -6.924 435 HZ1 LYS 57 HZ1 LYS 57 -15.869 1.747 -7.538 436 HZ2 LYS 57 HZ2 LYS 57 -15.688 2.140 -5.928 437 HZ3 LYS 57 HZ3 LYS 57 -16.493 0.691 -6.429 438 H ASP 58 H ASP 58 -10.892 -0.279 -5.717 439 HA ASP 58 HA ASP 58 -11.771 -2.703 -4.353 440 HB2 ASP 58 HB3 ASP 58 -12.880 -1.903 -6.466 441 HB3 ASP 58 HB2 ASP 58 -11.337 -2.109 -7.281 442 H ASN 59 H ASN 59 -9.372 -1.325 -6.231 443 HA ASN 59 HA ASN 59 -7.713 -3.721 -6.318 444 HB2 ASN 59 HB3 ASN 59 -7.331 -1.022 -7.538 445 HB3 ASN 59 HB2 ASN 59 -6.230 -2.392 -7.770 446 HD21 ASN 59 HD22 ASN 59 -8.998 -0.877 -8.874 447 HD22 ASN 59 HD21 ASN 59 -9.556 -2.155 -9.883 448 H LEU 60 H LEU 60 -6.328 -4.244 -5.296 449 HA LEU 60 HA LEU 60 -4.657 -2.488 -3.706 450 HB2 LEU 60 HB3 LEU 60 -4.882 -3.956 -1.683 451 HB3 LEU 60 HB2 LEU 60 -6.285 -3.012 -2.096 452 HG LEU 60 HG LEU 60 -7.370 -5.029 -3.013 453 HD11 LEU 60 HD11 LEU 60 -5.806 -7.071 -1.799 454 HD12 LEU 60 HD12 LEU 60 -4.808 -6.095 -2.905 455 HD13 LEU 60 HD13 LEU 60 -6.299 -6.835 -3.491 456 HD21 LEU 60 HD21 LEU 60 -7.443 -4.229 -0.603 457 HD22 LEU 60 HD22 LEU 60 -6.458 -5.651 -0.256 458 HD23 LEU 60 HD23 LEU 60 -8.067 -5.843 -0.984 459 H SER 61 H SER 61 -4.972 -5.383 -5.215 460 HA SER 61 HA SER 61 -3.113 -7.098 -4.520 461 HB2 SER 61 HB3 SER 61 -3.510 -6.460 -7.437 462 HB3 SER 61 HB2 SER 61 -2.987 -8.012 -6.768 463 HG SER 61 HG SER 61 -5.054 -8.395 -6.834 464 H TYR 62 H TYR 62 -2.364 -4.400 -6.625 465 HA TYR 62 HA TYR 62 0.300 -4.844 -7.012 466 HB2 TYR 62 HB3 TYR 62 -0.645 -3.190 -8.299 467 HB3 TYR 62 HB2 TYR 62 -1.427 -2.394 -6.943 468 HD1 TYR 62 HD1 TYR 62 2.149 -3.377 -7.440 469 HD2 TYR 62 HD2 TYR 62 -0.650 -0.221 -6.952 470 HE1 TYR 62 HE1 TYR 62 4.015 -1.779 -7.233 471 HE2 TYR 62 HE2 TYR 62 1.188 1.386 -6.867 472 HH TYR 62 HH TYR 62 4.307 0.683 -7.739 473 H ILE 63 H ILE 63 -1.258 -3.155 -4.332 474 HA ILE 63 HA ILE 63 1.263 -2.449 -3.178 475 HB ILE 63 HB ILE 63 0.111 -1.260 -1.560 476 HG12 ILE 63 HG13 ILE 63 -2.472 -2.651 -2.255 477 HG13 ILE 63 HG12 ILE 63 -1.470 -3.175 -0.904 478 HG21 ILE 63 HG21 ILE 63 -0.246 -0.794 -4.067 479 HG22 ILE 63 HG22 ILE 63 -0.994 0.180 -2.781 480 HG23 ILE 63 HG23 ILE 63 -1.904 -1.127 -3.592 481 HD11 ILE 63 HD11 ILE 63 -2.301 -0.374 -1.202 482 HD12 ILE 63 HD12 ILE 63 -1.744 -1.214 0.229 483 HD13 ILE 63 HD13 ILE 63 -3.393 -1.541 -0.416 484 H GLU 64 H GLU 64 -0.987 -4.978 -3.051 485 HA GLU 64 HA GLU 64 -0.334 -6.036 -0.447 486 HB2 GLU 64 HB3 GLU 64 -2.364 -6.843 -1.665 487 HB3 GLU 64 HB2 GLU 64 -1.311 -7.661 -2.817 488 HG2 GLU 64 HG3 GLU 64 -0.390 -9.010 -0.965 489 HG3 GLU 64 HG2 GLU 64 -1.523 -8.192 0.111 490 H HIS 65 H HIS 65 0.707 -6.926 -3.712 491 HA HIS 65 HA HIS 65 2.923 -8.559 -3.194 492 HB2 HIS 65 HB3 HIS 65 1.898 -7.941 -5.418 493 HB3 HIS 65 HB2 HIS 65 2.484 -6.320 -5.170 494 HD1 HIS 65 HD1 HIS 65 4.006 -9.835 -5.565 495 HD2 HIS 65 HD2 HIS 65 4.721 -5.819 -6.365 496 HE1 HIS 65 HE1 HIS 65 6.181 -9.797 -6.794 497 H ILE 66 H ILE 66 3.027 -5.174 -3.583 498 HA ILE 66 HA ILE 66 5.577 -4.720 -2.981 499 HB ILE 66 HB ILE 66 3.362 -3.004 -1.942 500 HG12 ILE 66 HG13 ILE 66 3.259 -3.548 -4.109 501 HG13 ILE 66 HG12 ILE 66 3.644 -1.794 -4.144 502 HG21 ILE 66 HG21 ILE 66 6.331 -2.283 -2.169 503 HG22 ILE 66 HG22 ILE 66 5.354 -2.238 -0.730 504 HG23 ILE 66 HG23 ILE 66 5.049 -1.088 -2.020 505 HD11 ILE 66 HD11 ILE 66 5.224 -2.323 -5.566 506 HD12 ILE 66 HD12 ILE 66 4.838 -4.037 -5.371 507 HD13 ILE 66 HD13 ILE 66 6.019 -3.250 -4.278 508 H PHE 67 H PHE 67 3.009 -5.042 -0.384 509 HA PHE 67 HA PHE 67 4.822 -4.718 1.510 510 HB2 PHE 67 HB3 PHE 67 2.106 -6.016 1.529 511 HB3 PHE 67 HB2 PHE 67 3.031 -5.591 2.958 512 HD1 PHE 67 HD1 PHE 67 3.999 -3.068 2.705 513 HD2 PHE 67 HD2 PHE 67 0.473 -4.595 1.014 514 HE1 PHE 67 HE1 PHE 67 3.134 -0.783 2.517 515 HE2 PHE 67 HE2 PHE 67 -0.429 -2.339 0.798 516 HZ PHE 67 HZ PHE 67 0.884 -0.412 1.547 517 H GLU 68 H GLU 68 4.018 -7.632 -0.459 518 HA GLU 68 HA GLU 68 5.029 -9.436 1.514 519 HB2 GLU 68 HB3 GLU 68 3.469 -10.172 -0.235 520 HB3 GLU 68 HB2 GLU 68 4.651 -9.726 -1.472 521 HG2 GLU 68 HG3 GLU 68 6.205 -11.363 -0.485 522 HG3 GLU 68 HG2 GLU 68 4.923 -11.867 0.619 523 H ILE 69 H ILE 69 6.175 -8.170 -1.575 524 HA ILE 69 HA ILE 69 8.624 -9.339 -1.473 525 HB ILE 69 HB ILE 69 9.353 -7.900 -3.238 526 HG12 ILE 69 HG13 ILE 69 6.746 -6.438 -2.813 527 HG13 ILE 69 HG12 ILE 69 8.374 -5.799 -2.545 528 HG21 ILE 69 HG21 ILE 69 7.498 -9.821 -3.294 529 HG22 ILE 69 HG22 ILE 69 8.093 -9.011 -4.743 530 HG23 ILE 69 HG23 ILE 69 6.581 -8.479 -3.979 531 HD11 ILE 69 HD11 ILE 69 6.980 -6.450 -5.054 532 HD12 ILE 69 HD12 ILE 69 8.735 -6.518 -4.926 533 HD13 ILE 69 HD13 ILE 69 7.899 -4.969 -4.621 534 H SER 70 H SER 70 7.784 -6.221 -0.237 535 HA SER 70 HA SER 70 10.520 -5.782 0.519 536 HB2 SER 70 HB3 SER 70 9.223 -3.823 -0.163 537 HB3 SER 70 HB2 SER 70 8.041 -4.162 1.109 538 HG SER 70 HG SER 70 9.258 -3.050 2.352 539 H ARG 71 H ARG 71 11.192 -5.924 2.629 540 HA ARG 71 HA ARG 71 9.935 -7.942 4.054 541 HB2 ARG 71 HB3 ARG 71 12.418 -6.402 4.812 542 HB3 ARG 71 HB2 ARG 71 11.850 -7.878 5.593 543 HG2 ARG 71 HG3 ARG 71 12.524 -7.588 2.716 544 HG3 ARG 71 HG2 ARG 71 13.610 -8.320 3.929 545 HD2 ARG 71 HD3 ARG 71 11.896 -10.073 4.253 546 HD3 ARG 71 HD2 ARG 71 10.868 -9.293 3.056 547 HE ARG 71 HE ARG 71 13.426 -9.914 1.981 548 HH11 ARG 71 HH11 ARG 71 10.224 -11.296 2.608 549 HH12 ARG 71 HH12 ARG 71 10.421 -12.639 1.584 550 HH21 ARG 71 HH22 ARG 71 13.746 -11.833 0.589 551 HH22 ARG 71 HH21 ARG 71 12.499 -12.962 0.473 552 H ARG 72 H ARG 72 8.083 -6.599 4.269 553 HA ARG 72 HA ARG 72 7.682 -5.487 6.936 554 HB2 ARG 72 HB3 ARG 72 7.190 -4.086 4.354 555 HB3 ARG 72 HB2 ARG 72 6.109 -3.791 5.695 556 HG2 ARG 72 HG3 ARG 72 9.047 -3.510 5.928 557 HG3 ARG 72 HG2 ARG 72 8.050 -2.154 5.335 558 HD2 ARG 72 HD3 ARG 72 8.431 -1.834 7.712 559 HD3 ARG 72 HD2 ARG 72 6.761 -2.333 7.451 560 HE ARG 72 HE ARG 72 7.139 -4.097 8.828 561 HH11 ARG 72 HH11 ARG 72 10.334 -2.787 8.023 562 HH12 ARG 72 HH12 ARG 72 11.167 -4.092 8.741 563 HH21 ARG 72 HH22 ARG 72 8.186 -5.723 9.840 564 HH22 ARG 72 HH21 ARG 72 9.905 -5.853 9.855 565 HA PRO 73 HA PRO 73 4.505 -8.653 5.279 566 HB2 PRO 73 HB2 PRO 73 4.734 -10.347 7.391 567 HB3 PRO 73 HB3 PRO 73 5.716 -10.467 5.914 568 HG2 PRO 73 HG3 PRO 73 6.315 -9.108 8.491 569 HG3 PRO 73 HG2 PRO 73 7.348 -10.289 7.596 570 HD2 PRO 73 HD3 PRO 73 7.826 -7.718 7.456 571 HD3 PRO 73 HD2 PRO 73 7.870 -8.702 5.972 572 H ASP 74 H ASP 74 5.021 -6.696 7.987 573 HA ASP 74 HA ASP 74 2.848 -7.369 9.710 574 HB2 ASP 74 HB3 ASP 74 4.179 -4.685 9.252 575 HB3 ASP 74 HB2 ASP 74 3.336 -5.215 10.706 576 H LEU 75 H LEU 75 3.477 -5.063 7.432 577 HA LEU 75 HA LEU 75 0.931 -3.804 7.241 578 HB2 LEU 75 HB3 LEU 75 3.162 -3.724 5.195 579 HB3 LEU 75 HB2 LEU 75 1.721 -2.753 5.108 580 HG LEU 75 HG LEU 75 2.457 -1.524 7.215 581 HD11 LEU 75 HD11 LEU 75 3.818 -3.402 8.167 582 HD12 LEU 75 HD12 LEU 75 4.541 -1.804 8.184 583 HD13 LEU 75 HD13 LEU 75 5.059 -2.974 6.984 584 HD21 LEU 75 HD21 LEU 75 4.677 -1.532 5.230 585 HD22 LEU 75 HD22 LEU 75 3.955 -0.193 6.113 586 HD23 LEU 75 HD23 LEU 75 3.068 -0.973 4.795 587 H LEU 76 H LEU 76 2.484 -6.012 5.232 588 HA LEU 76 HA LEU 76 0.648 -6.755 3.166 589 HB2 LEU 76 HB3 LEU 76 2.801 -8.077 3.600 590 HB3 LEU 76 HB2 LEU 76 1.847 -8.937 4.829 591 HG LEU 76 HG LEU 76 0.214 -9.346 2.967 592 HD11 LEU 76 HD11 LEU 76 0.544 -8.508 1.113 593 HD12 LEU 76 HD12 LEU 76 1.590 -9.867 0.829 594 HD13 LEU 76 HD13 LEU 76 2.288 -8.328 1.355 595 HD21 LEU 76 HD21 LEU 76 2.348 -10.852 4.017 596 HD22 LEU 76 HD22 LEU 76 2.164 -11.289 2.309 597 HD23 LEU 76 HD23 LEU 76 0.780 -11.392 3.421 598 H THR 77 H THR 77 0.889 -8.179 6.151 599 HA THR 77 HA THR 77 -1.213 -9.846 6.441 600 HB THR 77 HB THR 77 0.008 -8.095 8.480 601 HG1 THR 77 HG1 THR 77 1.512 -9.513 7.869 602 HG21 THR 77 HG21 THR 77 -2.068 -10.096 8.661 603 HG22 THR 77 HG22 THR 77 -1.812 -8.599 9.583 604 HG23 THR 77 HG23 THR 77 -0.846 -10.086 9.980 605 H MET 78 H MET 78 -1.199 -6.483 7.161 606 HA MET 78 HA MET 78 -3.929 -6.338 7.924 607 HB2 MET 78 HB3 MET 78 -2.123 -4.115 6.997 608 HB3 MET 78 HB2 MET 78 -3.797 -3.860 7.440 609 HG2 MET 78 HG3 MET 78 -1.776 -5.139 9.253 610 HG3 MET 78 HG2 MET 78 -2.195 -3.405 9.322 611 HE1 MET 78 HE1 MET 78 -2.149 -4.901 11.790 612 HE2 MET 78 HE2 MET 78 -3.738 -5.000 12.565 613 HE3 MET 78 HE3 MET 78 -3.129 -3.451 11.974 614 H VAL 79 H VAL 79 -2.421 -6.158 4.722 615 HA VAL 79 HA VAL 79 -4.798 -5.353 3.361 616 HB VAL 79 HB VAL 79 -2.425 -6.894 2.311 617 HG11 VAL 79 HG11 VAL 79 -4.300 -5.050 0.836 618 HG12 VAL 79 HG12 VAL 79 -4.330 -6.815 0.793 619 HG13 VAL 79 HG13 VAL 79 -2.934 -5.940 0.155 620 HG21 VAL 79 HG21 VAL 79 -2.105 -4.158 1.679 621 HG22 VAL 79 HG22 VAL 79 -1.135 -5.174 2.764 622 HG23 VAL 79 HG23 VAL 79 -2.499 -4.271 3.397 623 H VAL 80 H VAL 80 -3.087 -8.428 3.783 624 HA VAL 80 HA VAL 80 -4.894 -10.264 2.593 625 HB VAL 80 HB VAL 80 -3.119 -10.655 5.070 626 HG11 VAL 80 HG11 VAL 80 -4.585 -12.571 3.344 627 HG12 VAL 80 HG12 VAL 80 -4.472 -12.462 5.100 628 HG13 VAL 80 HG13 VAL 80 -3.099 -13.063 4.177 629 HG21 VAL 80 HG21 VAL 80 -1.371 -10.372 3.692 630 HG22 VAL 80 HG22 VAL 80 -2.417 -10.283 2.282 631 HG23 VAL 80 HG23 VAL 80 -1.864 -11.848 2.885 632 H ASP 81 H ASP 81 -4.597 -9.439 5.732 633 HA ASP 81 HA ASP 81 -6.866 -10.677 6.825 634 HB2 ASP 81 HB3 ASP 81 -5.158 -9.893 8.343 635 HB3 ASP 81 HB2 ASP 81 -5.578 -8.221 8.026 636 H TYR 82 H TYR 82 -6.560 -7.442 5.656 637 HA TYR 82 HA TYR 82 -9.108 -6.288 6.117 638 HB2 TYR 82 HB3 TYR 82 -7.394 -4.958 5.192 639 HB3 TYR 82 HB2 TYR 82 -7.267 -5.985 3.757 640 HD1 TYR 82 HD2 TYR 82 -9.697 -3.860 5.605 641 HD2 TYR 82 HD1 TYR 82 -8.364 -5.437 1.925 642 HE1 TYR 82 HE2 TYR 82 -11.316 -2.476 4.443 643 HE2 TYR 82 HE1 TYR 82 -9.981 -4.095 0.726 644 HH TYR 82 HH TYR 82 -11.704 -2.678 0.917 645 H ARG 83 H ARG 83 -7.962 -8.036 3.325 646 HA ARG 83 HA ARG 83 -10.330 -8.081 1.875 647 HB2 ARG 83 HB3 ARG 83 -8.461 -8.507 0.631 648 HB3 ARG 83 HB2 ARG 83 -7.733 -9.543 1.835 649 HG2 ARG 83 HG3 ARG 83 -10.111 -10.383 0.288 650 HG3 ARG 83 HG2 ARG 83 -8.485 -10.518 -0.436 651 HD2 ARG 83 HD3 ARG 83 -7.843 -11.840 1.545 652 HD3 ARG 83 HD2 ARG 83 -9.499 -11.772 2.125 653 HE ARG 83 HE ARG 83 -9.488 -12.710 -0.510 654 HH11 ARG 83 HH11 ARG 83 -8.732 -13.821 2.799 655 HH12 ARG 83 HH12 ARG 83 -8.887 -15.472 2.411 656 HH21 ARG 83 HH22 ARG 83 -9.670 -14.946 -1.024 657 HH22 ARG 83 HH21 ARG 83 -9.462 -16.155 0.134 658 H THR 84 H THR 84 -9.131 -10.234 3.993 659 HA THR 84 HA THR 84 -11.196 -12.192 4.005 660 HB THR 84 HB THR 84 -9.267 -11.373 6.078 661 HG1 THR 84 HG1 THR 84 -7.932 -12.174 4.688 662 HG21 THR 84 HG21 THR 84 -9.654 -13.914 6.645 663 HG22 THR 84 HG22 THR 84 -11.220 -13.492 5.872 664 HG23 THR 84 HG23 THR 84 -10.613 -12.510 7.243 665 H ARG 85 H ARG 85 -10.491 -10.127 6.390 666 HA ARG 85 HA ARG 85 -12.601 -10.209 8.052 667 HB2 ARG 85 HB3 ARG 85 -12.141 -8.049 9.196 668 HB3 ARG 85 HB2 ARG 85 -10.647 -8.891 8.820 669 HG2 ARG 85 HG3 ARG 85 -10.332 -7.444 6.867 670 HG3 ARG 85 HG2 ARG 85 -11.837 -6.638 7.211 671 HD2 ARG 85 HD3 ARG 85 -10.116 -5.276 7.974 672 HD3 ARG 85 HD2 ARG 85 -10.943 -6.080 9.341 673 HE ARG 85 HE ARG 85 -8.778 -7.655 8.975 674 HH11 ARG 85 HH11 ARG 85 -9.115 -4.120 9.355 675 HH12 ARG 85 HH12 ARG 85 -7.670 -3.909 10.229 676 HH21 ARG 85 HH22 ARG 85 -6.789 -7.346 10.303 677 HH22 ARG 85 HH21 ARG 85 -6.298 -5.785 10.738 678 H VAL 86 H VAL 86 -12.318 -7.881 5.789 679 HA VAL 86 HA VAL 86 -14.929 -6.735 5.890 680 HB VAL 86 HB VAL 86 -12.993 -6.685 3.594 681 HG11 VAL 86 HG11 VAL 86 -14.393 -4.548 2.951 682 HG12 VAL 86 HG12 VAL 86 -15.643 -5.219 3.996 683 HG13 VAL 86 HG13 VAL 86 -15.120 -6.110 2.572 684 HG21 VAL 86 HG21 VAL 86 -13.352 -5.207 6.068 685 HG22 VAL 86 HG22 VAL 86 -13.164 -4.156 4.664 686 HG23 VAL 86 HG23 VAL 86 -11.932 -5.361 5.035 687 H LEU 87 H LEU 87 -13.699 -9.385 4.138 688 HA LEU 87 HA LEU 87 -15.860 -10.126 2.457 689 HB2 LEU 87 HB3 LEU 87 -13.498 -10.934 2.511 690 HB3 LEU 87 HB2 LEU 87 -13.806 -11.676 4.048 691 HG LEU 87 HG LEU 87 -13.551 -13.320 2.386 692 HD11 LEU 87 HD11 LEU 87 -15.243 -13.649 4.081 693 HD12 LEU 87 HD12 LEU 87 -15.355 -14.689 2.650 694 HD13 LEU 87 HD13 LEU 87 -16.483 -13.324 2.849 695 HD21 LEU 87 HD21 LEU 87 -14.091 -11.780 0.541 696 HD22 LEU 87 HD22 LEU 87 -15.802 -12.185 0.759 697 HD23 LEU 87 HD23 LEU 87 -14.627 -13.451 0.332 698 H LYS 88 H LYS 88 -14.887 -10.949 5.715 699 HA LYS 88 HA LYS 88 -17.243 -12.339 6.425 700 HB2 LYS 88 HB3 LYS 88 -15.073 -11.300 8.176 701 HB3 LYS 88 HB2 LYS 88 -16.474 -12.167 8.804 702 HG2 LYS 88 HG3 LYS 88 -14.464 -13.128 6.827 703 HG3 LYS 88 HG2 LYS 88 -14.602 -13.654 8.517 704 HD2 LYS 88 HD3 LYS 88 -16.952 -14.399 7.989 705 HD3 LYS 88 HD2 LYS 88 -16.610 -14.080 6.285 706 HE2 LYS 88 HE3 LYS 88 -16.358 -16.439 6.700 707 HE3 LYS 88 HE2 LYS 88 -14.767 -15.742 6.424 708 HZ1 LYS 88 HZ1 LYS 88 -14.486 -15.655 8.889 709 HZ2 LYS 88 HZ2 LYS 88 -14.764 -17.254 8.356 710 HZ3 LYS 88 HZ3 LYS 88 -15.996 -16.335 9.028 711 H ILE 89 H ILE 89 -16.474 -8.927 6.918 712 HA ILE 89 HA ILE 89 -18.493 -8.499 8.733 713 HB ILE 89 HB ILE 89 -16.736 -6.963 6.946 714 HG12 ILE 89 HG13 ILE 89 -16.779 -7.169 9.960 715 HG13 ILE 89 HG12 ILE 89 -15.626 -7.862 8.829 716 HG21 ILE 89 HG21 ILE 89 -17.471 -4.865 7.546 717 HG22 ILE 89 HG22 ILE 89 -18.499 -5.461 8.866 718 HG23 ILE 89 HG23 ILE 89 -18.908 -5.809 7.162 719 HD11 ILE 89 HD11 ILE 89 -14.367 -6.102 9.326 720 HD12 ILE 89 HD12 ILE 89 -15.738 -5.197 9.981 721 HD13 ILE 89 HD13 ILE 89 -15.456 -5.222 8.236 722 H SER 90 H SER 90 -18.175 -8.064 5.228 723 HA SER 90 HA SER 90 -20.900 -7.120 5.092 724 HB2 SER 90 HB3 SER 90 -18.804 -7.511 2.960 725 HB3 SER 90 HB2 SER 90 -20.414 -6.791 2.713 726 HG SER 90 HG SER 90 -19.238 -5.622 4.775 Start of MODEL 9 1 H1 MET 1 H MET 1 -16.368 1.347 1.572 2 H2 MET 1 H2 MET 1 -15.177 0.198 1.880 3 H3 MET 1 H3 MET 1 -15.527 1.315 3.041 4 HA MET 1 HA MET 1 -13.751 1.519 0.782 5 HB2 MET 1 HB3 MET 1 -15.718 2.682 -0.201 6 HB3 MET 1 HB2 MET 1 -15.797 3.744 1.201 7 HG2 MET 1 HG3 MET 1 -13.537 3.650 -0.819 8 HG3 MET 1 HG2 MET 1 -14.886 4.782 -0.866 9 HE1 MET 1 HE1 MET 1 -14.222 6.577 2.631 10 HE2 MET 1 HE2 MET 1 -15.447 5.643 1.777 11 HE3 MET 1 HE3 MET 1 -14.829 7.137 1.077 12 H ALA 2 H ALA 2 -15.194 3.184 3.313 13 HA ALA 2 HA ALA 2 -12.938 4.619 4.291 14 HB1 ALA 2 HB1 ALA 2 -14.247 4.219 6.691 15 HB2 ALA 2 HB2 ALA 2 -15.546 3.968 5.522 16 HB3 ALA 2 HB3 ALA 2 -14.662 5.494 5.550 17 H GLU 3 H GLU 3 -14.083 1.533 5.493 18 HA GLU 3 HA GLU 3 -12.372 0.725 7.206 19 HB2 GLU 3 HB3 GLU 3 -12.830 -1.050 4.800 20 HB3 GLU 3 HB2 GLU 3 -12.582 -1.578 6.438 21 HG2 GLU 3 HG3 GLU 3 -14.852 -2.013 5.950 22 HG3 GLU 3 HG2 GLU 3 -14.858 -0.551 6.938 23 H TYR 4 H TYR 4 -12.049 0.545 4.047 24 HA TYR 4 HA TYR 4 -9.407 -0.449 3.563 25 HB2 TYR 4 HB3 TYR 4 -10.919 -0.326 1.648 26 HB3 TYR 4 HB2 TYR 4 -10.675 1.435 1.516 27 HD1 TYR 4 HD1 TYR 4 -8.596 -1.612 1.841 28 HD2 TYR 4 HD2 TYR 4 -9.328 1.930 -0.383 29 HE1 TYR 4 HE1 TYR 4 -6.791 -2.236 0.309 30 HE2 TYR 4 HE2 TYR 4 -7.496 1.326 -1.926 31 HH TYR 4 HH TYR 4 -6.384 -1.101 -2.601 32 H GLY 5 H GLY 5 -10.694 2.676 3.567 33 HA2 GLY 5 HA3 GLY 5 -8.461 4.442 3.325 34 HA3 GLY 5 HA2 GLY 5 -9.868 4.891 4.277 35 H THR 6 H THR 6 -9.766 3.049 6.447 36 HA THR 6 HA THR 6 -7.619 4.007 8.008 37 HB THR 6 HB THR 6 -9.487 1.681 8.402 38 HG1 THR 6 HG1 THR 6 -9.960 4.313 8.193 39 HG21 THR 6 HG21 THR 6 -7.645 1.792 9.907 40 HG22 THR 6 HG22 THR 6 -9.135 2.199 10.783 41 HG23 THR 6 HG23 THR 6 -8.011 3.485 10.269 42 H LEU 7 H LEU 7 -8.356 1.012 6.522 43 HA LEU 7 HA LEU 7 -6.171 -0.626 7.092 44 HB2 LEU 7 HB3 LEU 7 -7.911 -1.429 5.774 45 HB3 LEU 7 HB2 LEU 7 -7.560 -0.306 4.491 46 HG LEU 7 HG LEU 7 -7.116 -2.672 4.273 47 HD11 LEU 7 HD11 LEU 7 -5.143 -2.279 2.763 48 HD12 LEU 7 HD12 LEU 7 -4.875 -0.745 3.615 49 HD13 LEU 7 HD13 LEU 7 -6.363 -1.003 2.698 50 HD21 LEU 7 HD21 LEU 7 -4.383 -2.331 5.369 51 HD22 LEU 7 HD22 LEU 7 -5.361 -3.795 5.208 52 HD23 LEU 7 HD23 LEU 7 -5.715 -2.631 6.492 53 H LEU 8 H LEU 8 -6.199 1.458 4.523 54 HA LEU 8 HA LEU 8 -3.428 1.485 3.777 55 HB2 LEU 8 HB3 LEU 8 -5.315 3.811 3.484 56 HB3 LEU 8 HB2 LEU 8 -3.608 3.859 3.045 57 HG LEU 8 HG LEU 8 -3.896 2.349 1.240 58 HD11 LEU 8 HD11 LEU 8 -5.630 0.921 2.543 59 HD12 LEU 8 HD12 LEU 8 -5.711 1.014 0.791 60 HD13 LEU 8 HD13 LEU 8 -6.802 1.986 1.772 61 HD21 LEU 8 HD21 LEU 8 -5.514 4.697 1.459 62 HD22 LEU 8 HD22 LEU 8 -6.260 3.531 0.360 63 HD23 LEU 8 HD23 LEU 8 -4.594 4.075 0.089 64 H GLN 9 H GLN 9 -5.089 3.316 6.099 65 HA GLN 9 HA GLN 9 -2.954 4.897 7.065 66 HB2 GLN 9 HB3 GLN 9 -4.992 5.928 7.097 67 HB3 GLN 9 HB2 GLN 9 -5.799 4.470 7.647 68 HG2 GLN 9 HG3 GLN 9 -5.361 4.718 9.609 69 HG3 GLN 9 HG2 GLN 9 -3.888 5.761 9.519 70 HE21 GLN 9 HE22 GLN 9 -4.280 7.876 9.660 71 HE22 GLN 9 HE21 GLN 9 -5.832 8.631 9.844 72 H ASP 10 H ASP 10 -4.055 2.025 7.736 73 HA ASP 10 HA ASP 10 -3.049 1.692 10.466 74 HB2 ASP 10 HB3 ASP 10 -4.396 -0.435 8.825 75 HB3 ASP 10 HB2 ASP 10 -3.468 -0.823 10.271 76 H LEU 11 H LEU 11 -2.080 0.758 7.250 77 HA LEU 11 HA LEU 11 0.255 -0.445 8.314 78 HB2 LEU 11 HB3 LEU 11 0.881 -0.917 6.056 79 HB3 LEU 11 HB2 LEU 11 -0.721 -1.572 6.429 80 HG LEU 11 HG LEU 11 -1.471 0.605 5.232 81 HD11 LEU 11 HD11 LEU 11 1.273 0.829 5.096 82 HD12 LEU 11 HD12 LEU 11 0.059 1.851 4.311 83 HD13 LEU 11 HD13 LEU 11 0.746 0.469 3.453 84 HD21 LEU 11 HD21 LEU 11 -2.042 -0.744 3.516 85 HD22 LEU 11 HD22 LEU 11 -1.345 -2.019 4.515 86 HD23 LEU 11 HD23 LEU 11 -0.393 -1.254 3.227 87 H THR 12 H THR 12 -0.839 2.378 7.106 88 HA THR 12 HA THR 12 1.551 3.885 6.663 89 HB THR 12 HB THR 12 -1.315 4.623 7.109 90 HG1 THR 12 HG1 THR 12 -1.031 3.881 5.152 91 HG21 THR 12 HG21 THR 12 -0.122 6.701 5.924 92 HG22 THR 12 HG22 THR 12 0.949 6.332 7.316 93 HG23 THR 12 HG23 THR 12 -0.802 6.615 7.601 94 H ASN 13 H ASN 13 -0.416 3.249 9.498 95 HA ASN 13 HA ASN 13 0.946 5.016 11.308 96 HB2 ASN 13 HB3 ASN 13 -0.534 2.447 11.983 97 HB3 ASN 13 HB2 ASN 13 0.109 3.534 13.196 98 HD21 ASN 13 HD22 ASN 13 -2.651 2.546 12.018 99 HD22 ASN 13 HD21 ASN 13 -3.582 3.988 12.025 100 H ASN 14 H ASN 14 1.553 1.828 10.174 101 HA ASN 14 HA ASN 14 3.858 1.505 11.944 102 HB2 ASN 14 HB3 ASN 14 2.696 -0.411 9.879 103 HB3 ASN 14 HB2 ASN 14 4.072 -0.766 10.885 104 HD21 ASN 14 HD22 ASN 14 0.806 -1.082 10.641 105 HD22 ASN 14 HD21 ASN 14 0.455 -1.423 12.295 106 H ILE 15 H ILE 15 3.221 2.824 8.984 107 HA ILE 15 HA ILE 15 5.612 2.119 7.686 108 HB ILE 15 HB ILE 15 3.317 3.896 7.008 109 HG12 ILE 15 HG13 ILE 15 3.398 1.534 6.464 110 HG13 ILE 15 HG12 ILE 15 3.240 2.548 5.016 111 HG21 ILE 15 HG21 ILE 15 4.274 5.287 5.585 112 HG22 ILE 15 HG22 ILE 15 5.234 3.992 4.882 113 HG23 ILE 15 HG23 ILE 15 5.837 4.846 6.309 114 HD11 ILE 15 HD11 ILE 15 4.977 0.561 5.110 115 HD12 ILE 15 HD12 ILE 15 5.977 1.794 5.904 116 HD13 ILE 15 HD13 ILE 15 5.333 2.093 4.300 117 H THR 16 H THR 16 7.556 2.919 8.217 118 HA THR 16 HA THR 16 7.856 5.599 9.212 119 HB THR 16 HB THR 16 10.154 5.058 9.485 120 HG1 THR 16 HG1 THR 16 10.235 2.419 8.807 121 HG21 THR 16 HG21 THR 16 10.089 3.499 11.113 122 HG22 THR 16 HG22 THR 16 8.827 2.575 10.253 123 HG23 THR 16 HG23 THR 16 8.427 4.163 11.004 124 H LEU 17 H LEU 17 9.197 6.716 8.141 125 HA LEU 17 HA LEU 17 9.003 7.065 5.347 126 HB2 LEU 17 HB3 LEU 17 11.138 8.066 7.123 127 HB3 LEU 17 HB2 LEU 17 11.351 8.162 5.382 128 HG LEU 17 HG LEU 17 10.466 10.184 6.236 129 HD11 LEU 17 HD11 LEU 17 9.331 8.638 4.169 130 HD12 LEU 17 HD12 LEU 17 9.495 10.385 4.273 131 HD13 LEU 17 HD13 LEU 17 8.054 9.604 4.893 132 HD21 LEU 17 HD21 LEU 17 7.771 9.624 6.844 133 HD22 LEU 17 HD22 LEU 17 9.007 10.216 7.951 134 HD23 LEU 17 HD23 LEU 17 8.727 8.483 7.785 135 H GLU 18 H GLU 18 11.572 5.467 7.073 136 HA GLU 18 HA GLU 18 12.911 4.509 4.770 137 HB2 GLU 18 HB3 GLU 18 13.070 3.400 7.584 138 HB3 GLU 18 HB2 GLU 18 14.159 2.986 6.258 139 HG2 GLU 18 HG3 GLU 18 14.879 5.309 6.077 140 HG3 GLU 18 HG2 GLU 18 13.777 5.778 7.350 141 H ASP 19 H ASP 19 10.700 2.811 6.819 142 HA ASP 19 HA ASP 19 10.524 0.329 5.381 143 HB2 ASP 19 HB3 ASP 19 8.211 1.712 6.840 144 HB3 ASP 19 HB2 ASP 19 8.180 0.026 6.304 145 H LEU 20 H LEU 20 8.337 3.086 4.993 146 HA LEU 20 HA LEU 20 7.172 2.299 2.662 147 HB2 LEU 20 HB3 LEU 20 6.816 4.541 3.940 148 HB3 LEU 20 HB2 LEU 20 8.139 5.045 2.864 149 HG LEU 20 HG LEU 20 6.964 4.486 0.946 150 HD11 LEU 20 HD11 LEU 20 5.494 2.702 1.753 151 HD12 LEU 20 HD12 LEU 20 4.545 3.975 0.975 152 HD13 LEU 20 HD13 LEU 20 4.621 3.871 2.735 153 HD21 LEU 20 HD21 LEU 20 5.341 6.320 1.039 154 HD22 LEU 20 HD22 LEU 20 6.880 6.740 1.783 155 HD23 LEU 20 HD23 LEU 20 5.501 6.334 2.799 156 H GLU 21 H GLU 21 10.218 3.902 2.996 157 HA GLU 21 HA GLU 21 10.798 4.166 0.233 158 HB2 GLU 21 HB3 GLU 21 12.748 3.921 2.524 159 HB3 GLU 21 HB2 GLU 21 13.251 4.253 0.875 160 HG2 GLU 21 HG3 GLU 21 11.974 6.310 0.892 161 HG3 GLU 21 HG2 GLU 21 11.452 5.981 2.548 162 H GLN 22 H GLN 22 11.207 1.736 2.371 163 HA GLN 22 HA GLN 22 12.562 -0.120 0.630 164 HB2 GLN 22 HB3 GLN 22 12.608 -0.441 3.097 165 HB3 GLN 22 HB2 GLN 22 10.892 -0.829 3.038 166 HG2 GLN 22 HG3 GLN 22 12.108 -2.915 3.070 167 HG3 GLN 22 HG2 GLN 22 11.354 -2.557 1.503 168 HE21 GLN 22 HE22 GLN 22 12.286 -3.142 0.055 169 HE22 GLN 22 HE21 GLN 22 13.990 -3.166 -0.328 170 H LEU 23 H LEU 23 9.042 0.278 1.375 171 HA LEU 23 HA LEU 23 8.146 -1.623 -0.418 172 HB2 LEU 23 HB3 LEU 23 7.015 1.042 0.424 173 HB3 LEU 23 HB2 LEU 23 6.110 -0.214 -0.403 174 HG LEU 23 HG LEU 23 7.345 -0.434 2.312 175 HD11 LEU 23 HD11 LEU 23 5.506 1.122 2.267 176 HD12 LEU 23 HD12 LEU 23 5.012 -0.360 3.091 177 HD13 LEU 23 HD13 LEU 23 4.503 -0.052 1.422 178 HD21 LEU 23 HD21 LEU 23 6.623 -2.429 0.542 179 HD22 LEU 23 HD22 LEU 23 5.269 -2.314 1.665 180 HD23 LEU 23 HD23 LEU 23 6.905 -2.592 2.274 181 H LYS 24 H LYS 24 8.920 1.613 -0.657 182 HA LYS 24 HA LYS 24 8.314 2.109 -3.405 183 HB2 LYS 24 HB3 LYS 24 10.417 3.646 -1.800 184 HB3 LYS 24 HB2 LYS 24 9.746 4.162 -3.340 185 HG2 LYS 24 HG3 LYS 24 7.439 4.255 -2.197 186 HG3 LYS 24 HG2 LYS 24 8.282 3.981 -0.678 187 HD2 LYS 24 HD3 LYS 24 8.751 6.336 -2.490 188 HD3 LYS 24 HD2 LYS 24 7.770 6.323 -1.035 189 HE2 LYS 24 HE3 LYS 24 9.752 5.758 0.282 190 HE3 LYS 24 HE2 LYS 24 10.732 5.796 -1.180 191 HZ1 LYS 24 HZ1 LYS 24 10.017 8.150 -1.452 192 HZ2 LYS 24 HZ2 LYS 24 10.956 7.886 -0.067 193 HZ3 LYS 24 HZ3 LYS 24 9.269 8.078 0.052 194 H SER 25 H SER 25 10.964 1.273 -1.997 195 HA SER 25 HA SER 25 12.983 0.711 -3.980 196 HB2 SER 25 HB3 SER 25 12.735 -1.054 -1.477 197 HB3 SER 25 HB2 SER 25 14.132 -1.066 -2.561 198 HG SER 25 HG SER 25 13.181 1.205 -1.136 199 H ALA 26 H ALA 26 10.773 -1.312 -2.700 200 HA ALA 26 HA ALA 26 10.878 -3.496 -4.613 201 HB1 ALA 26 HB1 ALA 26 9.348 -3.014 -2.314 202 HB2 ALA 26 HB2 ALA 26 9.306 -4.456 -3.333 203 HB3 ALA 26 HB3 ALA 26 8.194 -3.122 -3.649 204 H CYS 27 H CYS 27 8.781 -0.598 -4.395 205 HA CYS 27 HA CYS 27 7.505 -1.098 -6.811 206 HB2 CYS 27 HB3 CYS 27 7.722 1.486 -5.349 207 HB3 CYS 27 HB2 CYS 27 6.603 0.961 -6.618 208 HG CYS 27 HG CYS 27 6.795 -0.395 -3.514 209 H LYS 28 H LYS 28 10.672 -0.054 -6.539 210 HA LYS 28 HA LYS 28 10.923 2.315 -7.924 211 HB2 LYS 28 HB3 LYS 28 12.705 -0.117 -8.101 212 HB3 LYS 28 HB2 LYS 28 13.154 1.465 -8.750 213 HG2 LYS 28 HG3 LYS 28 13.170 2.389 -6.540 214 HG3 LYS 28 HG2 LYS 28 12.538 0.886 -5.863 215 HD2 LYS 28 HD3 LYS 28 14.977 1.063 -5.497 216 HD3 LYS 28 HD2 LYS 28 14.569 -0.298 -6.522 217 HE2 LYS 28 HE3 LYS 28 16.542 0.846 -7.374 218 HE3 LYS 28 HE2 LYS 28 15.210 1.008 -8.509 219 HZ1 LYS 28 HZ1 LYS 28 15.229 3.184 -6.706 220 HZ2 LYS 28 HZ2 LYS 28 15.414 3.205 -8.389 221 HZ3 LYS 28 HZ3 LYS 28 16.748 3.016 -7.370 222 H GLU 29 H GLU 29 10.554 -0.833 -9.198 223 HA GLU 29 HA GLU 29 10.844 -0.090 -11.874 224 HB2 GLU 29 HB3 GLU 29 9.833 -2.614 -10.584 225 HB3 GLU 29 HB2 GLU 29 10.293 -2.449 -12.297 226 HG2 GLU 29 HG3 GLU 29 12.564 -1.783 -11.615 227 HG3 GLU 29 HG2 GLU 29 12.112 -1.952 -9.932 228 H ASP 30 H ASP 30 8.015 -0.546 -9.791 229 HA ASP 30 HA ASP 30 6.280 -0.191 -12.068 230 HB2 ASP 30 HB3 ASP 30 5.612 -0.801 -9.220 231 HB3 ASP 30 HB2 ASP 30 4.387 -0.452 -10.422 232 H ILE 31 H ILE 31 6.966 1.664 -9.139 233 HA ILE 31 HA ILE 31 5.153 3.709 -10.150 234 HB ILE 31 HB ILE 31 4.965 2.810 -7.722 235 HG12 ILE 31 HG13 ILE 31 4.039 5.080 -8.366 236 HG13 ILE 31 HG12 ILE 31 4.411 4.877 -6.655 237 HG21 ILE 31 HG21 ILE 31 7.182 4.564 -6.946 238 HG22 ILE 31 HG22 ILE 31 7.507 2.900 -7.498 239 HG23 ILE 31 HG23 ILE 31 6.421 3.201 -6.119 240 HD11 ILE 31 HD11 ILE 31 5.145 7.040 -8.169 241 HD12 ILE 31 HD12 ILE 31 6.557 5.958 -8.270 242 HD13 ILE 31 HD13 ILE 31 5.910 6.486 -6.686 243 HA PRO 32 HA PRO 32 8.438 5.698 -11.878 244 HB2 PRO 32 HB2 PRO 32 7.085 8.284 -11.230 245 HB3 PRO 32 HB3 PRO 32 7.743 7.721 -12.776 246 HG2 PRO 32 HG3 PRO 32 5.136 7.641 -12.287 247 HG3 PRO 32 HG2 PRO 32 5.930 6.334 -13.180 248 HD2 PRO 32 HD3 PRO 32 5.022 6.428 -10.338 249 HD3 PRO 32 HD2 PRO 32 4.961 5.063 -11.486 250 H SER 33 H SER 33 10.157 6.321 -11.356 251 HA SER 33 HA SER 33 11.390 6.420 -8.822 252 HB2 SER 33 HB3 SER 33 12.758 6.091 -10.871 253 HB3 SER 33 HB2 SER 33 12.562 7.805 -11.275 254 HG SER 33 HG SER 33 14.239 8.159 -10.058 255 H GLU 34 H GLU 34 10.826 9.024 -10.815 256 HA GLU 34 HA GLU 34 11.356 11.336 -9.345 257 HB2 GLU 34 HB3 GLU 34 10.584 11.457 -11.670 258 HB3 GLU 34 HB2 GLU 34 8.941 11.083 -11.146 259 HG2 GLU 34 HG3 GLU 34 8.942 13.159 -9.824 260 HG3 GLU 34 HG2 GLU 34 10.550 13.540 -10.471 261 H LYS 35 H LYS 35 8.492 9.625 -9.395 262 HA LYS 35 HA LYS 35 7.200 11.195 -7.449 263 HB2 LYS 35 HB3 LYS 35 6.313 8.568 -8.616 264 HB3 LYS 35 HB2 LYS 35 5.303 9.528 -7.539 265 HG2 LYS 35 HG3 LYS 35 6.469 10.481 -10.135 266 HG3 LYS 35 HG2 LYS 35 4.792 9.931 -9.915 267 HD2 LYS 35 HD3 LYS 35 4.435 11.585 -8.292 268 HD3 LYS 35 HD2 LYS 35 6.086 12.174 -8.355 269 HE2 LYS 35 HE3 LYS 35 5.649 12.848 -10.756 270 HE3 LYS 35 HE2 LYS 35 3.955 12.408 -10.485 271 HZ1 LYS 35 HZ1 LYS 35 3.614 14.263 -9.146 272 HZ2 LYS 35 HZ2 LYS 35 4.900 14.887 -10.062 273 HZ3 LYS 35 HZ3 LYS 35 5.140 14.215 -8.531 274 H SER 36 H SER 36 8.499 7.945 -7.192 275 HA SER 36 HA SER 36 8.087 7.413 -4.552 276 HB2 SER 36 HB3 SER 36 9.211 5.893 -6.018 277 HB3 SER 36 HB2 SER 36 10.630 6.935 -6.133 278 HG SER 36 HG SER 36 11.290 5.716 -4.584 279 H GLU 37 H GLU 37 10.075 9.630 -5.793 280 HA GLU 37 HA GLU 37 11.707 10.419 -3.516 281 HB2 GLU 37 HB3 GLU 37 11.120 12.048 -5.967 282 HB3 GLU 37 HB2 GLU 37 12.246 12.538 -4.704 283 HG2 GLU 37 HG3 GLU 37 12.416 10.015 -6.277 284 HG3 GLU 37 HG2 GLU 37 13.367 11.480 -6.638 285 H GLU 38 H GLU 38 8.876 11.683 -4.839 286 HA GLU 38 HA GLU 38 8.429 13.698 -2.768 287 HB2 GLU 38 HB3 GLU 38 6.298 14.354 -3.787 288 HB3 GLU 38 HB2 GLU 38 7.574 14.251 -4.988 289 HG2 GLU 38 HG3 GLU 38 6.712 12.116 -5.723 290 HG3 GLU 38 HG2 GLU 38 5.444 12.185 -4.516 291 H ILE 39 H ILE 39 7.670 10.545 -2.992 292 HA ILE 39 HA ILE 39 5.349 10.455 -1.330 293 HB ILE 39 HB ILE 39 7.192 8.208 -2.150 294 HG12 ILE 39 HG13 ILE 39 4.483 9.012 -3.221 295 HG13 ILE 39 HG12 ILE 39 6.019 9.367 -4.011 296 HG21 ILE 39 HG21 ILE 39 4.363 8.015 -1.174 297 HG22 ILE 39 HG22 ILE 39 5.753 7.865 -0.085 298 HG23 ILE 39 HG23 ILE 39 5.542 6.716 -1.424 299 HD11 ILE 39 HD11 ILE 39 6.410 6.989 -4.241 300 HD12 ILE 39 HD12 ILE 39 4.856 7.487 -4.935 301 HD13 ILE 39 HD13 ILE 39 4.928 6.677 -3.347 302 H THR 40 H THR 40 6.505 11.812 0.263 303 HA THR 40 HA THR 40 8.207 10.429 2.182 304 HB THR 40 HB THR 40 8.812 12.648 1.686 305 HG1 THR 40 HG1 THR 40 7.881 12.192 4.265 306 HG21 THR 40 HG21 THR 40 6.219 13.157 1.295 307 HG22 THR 40 HG22 THR 40 7.413 14.436 1.449 308 HG23 THR 40 HG23 THR 40 6.417 13.959 2.845 309 H THR 41 H THR 41 5.338 9.706 1.922 310 HA THR 41 HA THR 41 5.002 9.057 4.550 311 HB THR 41 HB THR 41 4.155 11.097 5.014 312 HG1 THR 41 HG1 THR 41 2.107 10.629 5.837 313 HG21 THR 41 HG21 THR 41 2.830 12.485 3.794 314 HG22 THR 41 HG22 THR 41 1.752 11.168 3.306 315 HG23 THR 41 HG23 THR 41 3.301 11.386 2.496 316 H GLY 42 H GLY 42 3.381 7.620 4.974 317 HA2 GLY 42 HA3 GLY 42 3.274 5.704 2.854 318 HA3 GLY 42 HA2 GLY 42 2.319 5.556 4.348 319 H SER 43 H SER 43 0.519 7.749 4.281 320 HA SER 43 HA SER 43 -1.340 7.115 2.566 321 HB2 SER 43 HB3 SER 43 -0.613 9.766 3.790 322 HB3 SER 43 HB2 SER 43 -2.218 9.275 3.211 323 HG SER 43 HG SER 43 -2.479 8.083 4.897 324 H ALA 44 H ALA 44 1.248 9.304 2.207 325 HA ALA 44 HA ALA 44 0.502 10.766 -0.112 326 HB1 ALA 44 HB1 ALA 44 2.860 10.792 1.278 327 HB2 ALA 44 HB2 ALA 44 2.575 11.671 -0.221 328 HB3 ALA 44 HB3 ALA 44 3.357 10.088 -0.255 329 H TRP 45 H TRP 45 2.334 7.735 0.018 330 HA TRP 45 HA TRP 45 2.446 7.326 -2.749 331 HB2 TRP 45 HB3 TRP 45 3.768 6.079 -1.011 332 HB3 TRP 45 HB2 TRP 45 2.282 5.297 -0.541 333 HD1 TRP 45 HD1 TRP 45 3.623 5.743 -4.193 334 HE1 TRP 45 HE1 TRP 45 3.752 3.347 -5.172 335 HE3 TRP 45 HE3 TRP 45 2.288 3.034 -0.072 336 HZ2 TRP 45 HZ2 TRP 45 3.389 0.779 -4.360 337 HZ3 TRP 45 HZ3 TRP 45 2.218 0.591 -0.280 338 HH2 TRP 45 HH2 TRP 45 2.765 -0.482 -2.406 339 H PHE 46 H PHE 46 0.224 6.028 -0.378 340 HA PHE 46 HA PHE 46 -1.383 4.793 -2.240 341 HB2 PHE 46 HB3 PHE 46 -2.359 6.206 0.227 342 HB3 PHE 46 HB2 PHE 46 -3.317 5.104 -0.754 343 HD1 PHE 46 HD1 PHE 46 -2.102 2.817 -1.203 344 HD2 PHE 46 HD2 PHE 46 -1.418 5.329 2.197 345 HE1 PHE 46 HE1 PHE 46 -1.460 0.860 0.105 346 HE2 PHE 46 HE2 PHE 46 -0.814 3.345 3.520 347 HZ PHE 46 HZ PHE 46 -0.822 1.092 2.403 348 H SER 47 H SER 47 -1.691 7.835 -1.038 349 HA SER 47 HA SER 47 -3.780 8.913 -2.692 350 HB2 SER 47 HB3 SER 47 -1.586 10.602 -1.482 351 HB3 SER 47 HB2 SER 47 -3.079 11.216 -2.196 352 HG SER 47 HG SER 47 -3.819 9.404 -0.484 353 H PHE 48 H PHE 48 -0.412 8.694 -3.499 354 HA PHE 48 HA PHE 48 -0.617 10.166 -5.970 355 HB2 PHE 48 HB3 PHE 48 1.550 9.795 -4.950 356 HB3 PHE 48 HB2 PHE 48 1.287 8.049 -4.954 357 HD1 PHE 48 HD1 PHE 48 1.296 10.927 -7.344 358 HD2 PHE 48 HD2 PHE 48 2.141 6.871 -6.571 359 HE1 PHE 48 HE1 PHE 48 2.173 10.703 -9.609 360 HE2 PHE 48 HE2 PHE 48 3.065 6.618 -8.842 361 HZ PHE 48 HZ PHE 48 3.073 8.559 -10.377 362 H LEU 49 H LEU 49 -0.388 6.672 -5.042 363 HA LEU 49 HA LEU 49 -0.656 5.449 -7.376 364 HB2 LEU 49 HB3 LEU 49 -0.130 4.926 -4.946 365 HB3 LEU 49 HB2 LEU 49 -1.862 4.615 -4.780 366 HG LEU 49 HG LEU 49 -1.488 2.500 -6.290 367 HD11 LEU 49 HD11 LEU 49 0.316 2.360 -7.521 368 HD12 LEU 49 HD12 LEU 49 1.346 2.792 -6.163 369 HD13 LEU 49 HD13 LEU 49 0.620 4.061 -7.148 370 HD21 LEU 49 HD21 LEU 49 -0.252 3.088 -3.716 371 HD22 LEU 49 HD22 LEU 49 0.611 1.869 -4.643 372 HD23 LEU 49 HD23 LEU 49 -1.089 1.648 -4.260 373 H GLU 50 H GLU 50 -3.082 5.988 -5.033 374 HA GLU 50 HA GLU 50 -5.590 5.504 -6.200 375 HB2 GLU 50 HB3 GLU 50 -5.119 7.910 -4.404 376 HB3 GLU 50 HB2 GLU 50 -6.695 7.280 -4.797 377 HG2 GLU 50 HG3 GLU 50 -6.193 5.235 -3.586 378 HG3 GLU 50 HG2 GLU 50 -4.559 5.810 -3.265 379 H SER 51 H SER 51 -4.035 8.266 -6.210 380 HA SER 51 HA SER 51 -5.624 9.960 -7.940 381 HB2 SER 51 HB3 SER 51 -2.617 10.376 -7.701 382 HB3 SER 51 HB2 SER 51 -3.726 11.488 -8.514 383 HG SER 51 HG SER 51 -3.713 10.716 -5.812 384 H HIS 52 H HIS 52 -3.350 7.529 -8.742 385 HA HIS 52 HA HIS 52 -4.053 7.918 -11.560 386 HB2 HIS 52 HB3 HIS 52 -1.725 6.461 -10.380 387 HB3 HIS 52 HB2 HIS 52 -2.089 6.338 -12.130 388 HD1 HIS 52 HD1 HIS 52 0.203 7.456 -12.799 389 HD2 HIS 52 HD2 HIS 52 -1.951 9.381 -9.891 390 HE1 HIS 52 HE1 HIS 52 1.437 9.626 -12.444 391 H ASN 53 H ASN 53 -3.926 5.558 -12.651 392 HA ASN 53 HA ASN 53 -6.039 4.146 -11.303 393 HB2 ASN 53 HB3 ASN 53 -6.205 2.886 -13.451 394 HB3 ASN 53 HB2 ASN 53 -6.385 4.620 -13.649 395 HD21 ASN 53 HD22 ASN 53 -5.084 2.040 -15.020 396 HD22 ASN 53 HD21 ASN 53 -3.721 2.761 -15.826 397 H LYS 54 H LYS 54 -3.647 3.878 -9.909 398 HA LYS 54 HA LYS 54 -2.991 1.105 -10.518 399 HB2 LYS 54 HB3 LYS 54 -1.290 2.822 -8.653 400 HB3 LYS 54 HB2 LYS 54 -0.977 1.168 -9.128 401 HG2 LYS 54 HG3 LYS 54 -0.720 3.645 -10.861 402 HG3 LYS 54 HG2 LYS 54 0.490 2.499 -10.271 403 HD2 LYS 54 HD3 LYS 54 -1.690 1.742 -12.170 404 HD3 LYS 54 HD2 LYS 54 -0.080 2.215 -12.695 405 HE2 LYS 54 HE3 LYS 54 0.836 0.330 -11.327 406 HE3 LYS 54 HE2 LYS 54 -0.836 -0.120 -10.963 407 HZ1 LYS 54 HZ1 LYS 54 -1.102 -0.316 -13.503 408 HZ2 LYS 54 HZ2 LYS 54 -0.185 -1.496 -12.709 409 HZ3 LYS 54 HZ3 LYS 54 0.570 -0.265 -13.561 410 H LEU 55 H LEU 55 -4.778 3.028 -8.354 411 HA LEU 55 HA LEU 55 -5.508 0.682 -6.943 412 HB2 LEU 55 HB3 LEU 55 -3.445 1.073 -5.767 413 HB3 LEU 55 HB2 LEU 55 -3.863 2.725 -5.402 414 HG LEU 55 HG LEU 55 -5.306 0.313 -4.170 415 HD11 LEU 55 HD11 LEU 55 -3.768 0.145 -2.607 416 HD12 LEU 55 HD12 LEU 55 -3.550 1.889 -2.451 417 HD13 LEU 55 HD13 LEU 55 -2.704 0.999 -3.721 418 HD21 LEU 55 HD21 LEU 55 -5.367 3.252 -3.636 419 HD22 LEU 55 HD22 LEU 55 -5.566 2.105 -2.309 420 HD23 LEU 55 HD23 LEU 55 -6.692 2.084 -3.675 421 H ASP 56 H ASP 56 -7.488 0.909 -7.340 422 HA ASP 56 HA ASP 56 -9.073 3.045 -6.368 423 HB2 ASP 56 HB3 ASP 56 -9.816 0.408 -7.625 424 HB3 ASP 56 HB2 ASP 56 -10.991 1.384 -6.762 425 H LYS 57 H LYS 57 -10.733 2.553 -4.929 426 HA LYS 57 HA LYS 57 -9.996 1.798 -2.414 427 HB2 LYS 57 HB3 LYS 57 -12.512 1.395 -2.069 428 HB3 LYS 57 HB2 LYS 57 -11.908 3.012 -2.419 429 HG2 LYS 57 HG3 LYS 57 -14.037 2.316 -3.628 430 HG3 LYS 57 HG2 LYS 57 -12.653 2.948 -4.564 431 HD2 LYS 57 HD3 LYS 57 -12.086 0.863 -5.347 432 HD3 LYS 57 HD2 LYS 57 -13.112 0.040 -4.206 433 HE2 LYS 57 HE3 LYS 57 -14.170 1.755 -6.463 434 HE3 LYS 57 HE2 LYS 57 -13.905 0.026 -6.613 435 HZ1 LYS 57 HZ1 LYS 57 -16.165 0.499 -6.118 436 HZ2 LYS 57 HZ2 LYS 57 -15.765 1.295 -4.661 437 HZ3 LYS 57 HZ3 LYS 57 -15.432 -0.372 -4.879 438 H ASP 58 H ASP 58 -10.887 -0.430 -4.924 439 HA ASP 58 HA ASP 58 -11.359 -2.476 -2.969 440 HB2 ASP 58 HB3 ASP 58 -12.247 -2.406 -5.864 441 HB3 ASP 58 HB2 ASP 58 -12.412 -3.817 -4.844 442 H ASN 59 H ASN 59 -9.337 -1.740 -5.629 443 HA ASN 59 HA ASN 59 -8.350 -4.471 -5.579 444 HB2 ASN 59 HB3 ASN 59 -7.312 -3.986 -7.609 445 HB3 ASN 59 HB2 ASN 59 -8.452 -2.647 -7.601 446 HD21 ASN 59 HD22 ASN 59 -7.811 -0.801 -6.744 447 HD22 ASN 59 HD21 ASN 59 -6.118 -0.285 -6.915 448 H LEU 60 H LEU 60 -6.721 -4.986 -4.664 449 HA LEU 60 HA LEU 60 -5.026 -3.082 -3.180 450 HB2 LEU 60 HB3 LEU 60 -4.886 -4.537 -1.246 451 HB3 LEU 60 HB2 LEU 60 -6.547 -4.179 -1.621 452 HG LEU 60 HG LEU 60 -5.118 -6.804 -2.090 453 HD11 LEU 60 HD11 LEU 60 -6.472 -5.653 0.121 454 HD12 LEU 60 HD12 LEU 60 -5.636 -7.207 0.008 455 HD13 LEU 60 HD13 LEU 60 -7.346 -7.082 -0.429 456 HD21 LEU 60 HD21 LEU 60 -7.586 -5.764 -3.208 457 HD22 LEU 60 HD22 LEU 60 -7.863 -7.269 -2.299 458 HD23 LEU 60 HD23 LEU 60 -6.675 -7.205 -3.615 459 H SER 61 H SER 61 -5.152 -5.683 -5.013 460 HA SER 61 HA SER 61 -2.883 -7.135 -4.583 461 HB2 SER 61 HB3 SER 61 -2.914 -7.931 -6.973 462 HB3 SER 61 HB2 SER 61 -4.453 -8.049 -6.121 463 HG SER 61 HG SER 61 -4.170 -6.994 -8.389 464 H TYR 62 H TYR 62 -2.908 -4.201 -6.290 465 HA TYR 62 HA TYR 62 -0.260 -4.165 -7.339 466 HB2 TYR 62 HB3 TYR 62 -1.873 -2.264 -7.750 467 HB3 TYR 62 HB2 TYR 62 -1.719 -1.793 -6.056 468 HD1 TYR 62 HD1 TYR 62 0.035 -1.906 -9.309 469 HD2 TYR 62 HD2 TYR 62 0.211 -0.538 -5.290 470 HE1 TYR 62 HE1 TYR 62 2.092 -0.640 -9.793 471 HE2 TYR 62 HE2 TYR 62 2.320 0.540 -5.714 472 HH TYR 62 HH TYR 62 4.150 0.067 -8.315 473 H ILE 63 H ILE 63 -1.538 -3.097 -4.271 474 HA ILE 63 HA ILE 63 1.012 -2.502 -3.115 475 HB ILE 63 HB ILE 63 -0.127 -1.488 -1.338 476 HG12 ILE 63 HG13 ILE 63 -2.726 -2.618 -2.340 477 HG13 ILE 63 HG12 ILE 63 -1.841 -3.388 -1.016 478 HG21 ILE 63 HG21 ILE 63 -0.077 -0.424 -3.428 479 HG22 ILE 63 HG22 ILE 63 -1.529 -0.040 -2.462 480 HG23 ILE 63 HG23 ILE 63 -1.617 -1.207 -3.798 481 HD11 ILE 63 HD11 ILE 63 -3.472 -1.924 -0.080 482 HD12 ILE 63 HD12 ILE 63 -2.861 -0.595 -1.105 483 HD13 ILE 63 HD13 ILE 63 -1.814 -1.291 0.127 484 H GLU 64 H GLU 64 -1.099 -5.063 -3.097 485 HA GLU 64 HA GLU 64 -0.441 -6.323 -0.569 486 HB2 GLU 64 HB3 GLU 64 -2.488 -6.934 -1.924 487 HB3 GLU 64 HB2 GLU 64 -1.435 -7.632 -3.128 488 HG2 GLU 64 HG3 GLU 64 -0.674 -9.305 -1.506 489 HG3 GLU 64 HG2 GLU 64 -1.751 -8.589 -0.307 490 H HIS 65 H HIS 65 0.607 -6.959 -3.915 491 HA HIS 65 HA HIS 65 2.867 -8.554 -3.495 492 HB2 HIS 65 HB3 HIS 65 1.746 -7.871 -5.653 493 HB3 HIS 65 HB2 HIS 65 2.245 -6.227 -5.326 494 HD1 HIS 65 HD1 HIS 65 3.903 -9.609 -6.013 495 HD2 HIS 65 HD2 HIS 65 4.430 -5.534 -6.569 496 HE1 HIS 65 HE1 HIS 65 6.029 -9.406 -7.276 497 H ILE 66 H ILE 66 2.880 -5.152 -3.764 498 HA ILE 66 HA ILE 66 5.370 -4.682 -3.225 499 HB ILE 66 HB ILE 66 3.200 -3.108 -1.931 500 HG12 ILE 66 HG13 ILE 66 2.938 -3.473 -4.134 501 HG13 ILE 66 HG12 ILE 66 3.217 -1.703 -4.029 502 HG21 ILE 66 HG21 ILE 66 4.901 -1.114 -2.144 503 HG22 ILE 66 HG22 ILE 66 6.136 -2.343 -2.247 504 HG23 ILE 66 HG23 ILE 66 5.142 -2.235 -0.826 505 HD11 ILE 66 HD11 ILE 66 5.566 -3.365 -4.592 506 HD12 ILE 66 HD12 ILE 66 4.931 -1.927 -5.438 507 HD13 ILE 66 HD13 ILE 66 4.265 -3.533 -5.785 508 H PHE 67 H PHE 67 2.913 -5.118 -0.537 509 HA PHE 67 HA PHE 67 4.846 -4.861 1.304 510 HB2 PHE 67 HB3 PHE 67 2.121 -6.131 1.521 511 HB3 PHE 67 HB2 PHE 67 3.160 -5.680 2.867 512 HD1 PHE 67 HD1 PHE 67 4.017 -3.145 2.732 513 HD2 PHE 67 HD2 PHE 67 0.535 -4.710 0.941 514 HE1 PHE 67 HE1 PHE 67 3.073 -0.867 2.620 515 HE2 PHE 67 HE2 PHE 67 -0.436 -2.445 0.829 516 HZ PHE 67 HZ PHE 67 0.848 -0.528 1.670 517 H GLU 68 H GLU 68 3.972 -7.724 -0.658 518 HA GLU 68 HA GLU 68 5.085 -9.654 1.229 519 HB2 GLU 68 HB3 GLU 68 3.319 -10.207 -0.425 520 HB3 GLU 68 HB2 GLU 68 4.415 -9.736 -1.713 521 HG2 GLU 68 HG3 GLU 68 4.403 -12.103 -1.572 522 HG3 GLU 68 HG2 GLU 68 5.936 -11.416 -0.964 523 H ILE 69 H ILE 69 6.076 -8.257 -1.876 524 HA ILE 69 HA ILE 69 8.508 -9.419 -1.853 525 HB ILE 69 HB ILE 69 9.194 -7.900 -3.584 526 HG12 ILE 69 HG13 ILE 69 6.551 -6.505 -3.072 527 HG13 ILE 69 HG12 ILE 69 8.157 -5.833 -2.784 528 HG21 ILE 69 HG21 ILE 69 6.498 -8.391 -4.451 529 HG22 ILE 69 HG22 ILE 69 7.155 -9.759 -3.543 530 HG23 ILE 69 HG23 ILE 69 7.996 -9.161 -4.985 531 HD11 ILE 69 HD11 ILE 69 8.596 -6.359 -5.154 532 HD12 ILE 69 HD12 ILE 69 7.533 -4.975 -4.818 533 HD13 ILE 69 HD13 ILE 69 6.845 -6.558 -5.319 534 H SER 70 H SER 70 7.658 -6.374 -0.501 535 HA SER 70 HA SER 70 10.365 -5.657 0.123 536 HB2 SER 70 HB3 SER 70 8.762 -3.935 -0.557 537 HB3 SER 70 HB2 SER 70 7.723 -4.366 0.798 538 HG SER 70 HG SER 70 9.008 -2.552 1.206 539 H ARG 71 H ARG 71 11.092 -5.421 2.318 540 HA ARG 71 HA ARG 71 10.095 -7.501 3.951 541 HB2 ARG 71 HB3 ARG 71 12.425 -5.689 4.447 542 HB3 ARG 71 HB2 ARG 71 11.876 -6.880 5.614 543 HG2 ARG 71 HG3 ARG 71 12.721 -7.420 2.801 544 HG3 ARG 71 HG2 ARG 71 13.701 -7.757 4.254 545 HD2 ARG 71 HD3 ARG 71 11.795 -9.275 4.984 546 HD3 ARG 71 HD2 ARG 71 11.071 -9.017 3.407 547 HE ARG 71 HE ARG 71 12.483 -10.527 2.535 548 HH11 ARG 71 HH11 ARG 71 13.891 -9.617 5.739 549 HH12 ARG 71 HH12 ARG 71 15.290 -10.519 5.518 550 HH21 ARG 71 HH22 ARG 71 14.530 -11.751 2.295 551 HH22 ARG 71 HH21 ARG 71 15.687 -11.706 3.547 552 H ARG 72 H ARG 72 8.104 -6.303 3.899 553 HA ARG 72 HA ARG 72 7.552 -5.578 6.575 554 HB2 ARG 72 HB3 ARG 72 7.108 -3.559 4.411 555 HB3 ARG 72 HB2 ARG 72 5.959 -3.646 5.733 556 HG2 ARG 72 HG3 ARG 72 8.940 -3.291 6.076 557 HG3 ARG 72 HG2 ARG 72 7.741 -1.977 6.113 558 HD2 ARG 72 HD3 ARG 72 6.584 -3.040 7.975 559 HD3 ARG 72 HD2 ARG 72 7.695 -4.397 7.922 560 HE ARG 72 HE ARG 72 8.000 -1.899 9.184 561 HH11 ARG 72 HH11 ARG 72 9.952 -4.530 7.769 562 HH12 ARG 72 HH12 ARG 72 11.369 -4.085 8.612 563 HH21 ARG 72 HH22 ARG 72 9.923 -1.308 10.239 564 HH22 ARG 72 HH21 ARG 72 11.356 -2.204 10.078 565 HA PRO 73 HA PRO 73 4.562 -8.431 4.558 566 HB2 PRO 73 HB2 PRO 73 5.479 -10.360 6.589 567 HB3 PRO 73 HB3 PRO 73 5.361 -10.553 4.841 568 HG2 PRO 73 HG3 PRO 73 7.733 -10.349 6.070 569 HG3 PRO 73 HG2 PRO 73 7.457 -9.677 4.452 570 HD2 PRO 73 HD3 PRO 73 7.393 -8.272 7.101 571 HD3 PRO 73 HD2 PRO 73 8.208 -7.800 5.578 572 H ASP 74 H ASP 74 5.322 -7.084 7.554 573 HA ASP 74 HA ASP 74 3.264 -8.049 9.264 574 HB2 ASP 74 HB3 ASP 74 4.570 -5.277 9.232 575 HB3 ASP 74 HB2 ASP 74 3.743 -6.007 10.592 576 H LEU 75 H LEU 75 3.731 -5.447 7.369 577 HA LEU 75 HA LEU 75 1.117 -4.249 7.367 578 HB2 LEU 75 HB3 LEU 75 3.318 -3.788 5.368 579 HB3 LEU 75 HB2 LEU 75 1.781 -2.973 5.263 580 HG LEU 75 HG LEU 75 2.272 -1.733 7.389 581 HD11 LEU 75 HD11 LEU 75 3.914 -3.794 8.053 582 HD12 LEU 75 HD12 LEU 75 3.910 -2.194 8.801 583 HD13 LEU 75 HD13 LEU 75 5.060 -2.566 7.516 584 HD21 LEU 75 HD21 LEU 75 4.610 -0.927 6.425 585 HD22 LEU 75 HD22 LEU 75 3.038 -0.437 5.796 586 HD23 LEU 75 HD23 LEU 75 3.922 -1.740 5.008 587 H LEU 76 H LEU 76 2.663 -6.226 5.117 588 HA LEU 76 HA LEU 76 0.721 -6.855 3.049 589 HB2 LEU 76 HB3 LEU 76 2.857 -8.230 3.241 590 HB3 LEU 76 HB2 LEU 76 2.026 -9.108 4.533 591 HG LEU 76 HG LEU 76 0.228 -9.484 2.828 592 HD11 LEU 76 HD11 LEU 76 1.895 -8.191 1.112 593 HD12 LEU 76 HD12 LEU 76 0.322 -8.951 0.856 594 HD13 LEU 76 HD13 LEU 76 1.810 -9.874 0.612 595 HD21 LEU 76 HD21 LEU 76 2.549 -10.998 3.547 596 HD22 LEU 76 HD22 LEU 76 1.986 -11.428 1.920 597 HD23 LEU 76 HD23 LEU 76 0.873 -11.492 3.299 598 H THR 77 H THR 77 1.138 -8.506 5.962 599 HA THR 77 HA THR 77 -1.011 -10.157 6.207 600 HB THR 77 HB THR 77 0.397 -8.624 8.340 601 HG1 THR 77 HG1 THR 77 1.883 -9.873 7.439 602 HG21 THR 77 HG21 THR 77 -1.679 -10.625 8.407 603 HG22 THR 77 HG22 THR 77 -1.211 -9.375 9.576 604 HG23 THR 77 HG23 THR 77 -0.296 -10.918 9.507 605 H MET 78 H MET 78 -0.774 -6.856 7.285 606 HA MET 78 HA MET 78 -3.355 -6.590 8.362 607 HB2 MET 78 HB3 MET 78 -1.625 -4.423 7.146 608 HB3 MET 78 HB2 MET 78 -2.956 -4.185 8.266 609 HG2 MET 78 HG3 MET 78 -1.803 -5.455 9.982 610 HG3 MET 78 HG2 MET 78 -0.460 -5.744 8.910 611 HE1 MET 78 HE1 MET 78 -2.757 -3.241 10.184 612 HE2 MET 78 HE2 MET 78 -2.027 -1.762 9.575 613 HE3 MET 78 HE3 MET 78 -1.762 -2.242 11.246 614 H VAL 79 H VAL 79 -2.134 -6.155 5.124 615 HA VAL 79 HA VAL 79 -4.550 -5.121 3.930 616 HB VAL 79 HB VAL 79 -2.257 -6.641 2.646 617 HG11 VAL 79 HG11 VAL 79 -4.630 -5.430 1.559 618 HG12 VAL 79 HG12 VAL 79 -3.454 -6.495 0.800 619 HG13 VAL 79 HG13 VAL 79 -3.171 -4.752 0.832 620 HG21 VAL 79 HG21 VAL 79 -1.205 -4.897 3.696 621 HG22 VAL 79 HG22 VAL 79 -2.497 -3.743 3.361 622 HG23 VAL 79 HG23 VAL 79 -1.441 -4.291 2.055 623 H VAL 80 H VAL 80 -2.979 -8.240 4.021 624 HA VAL 80 HA VAL 80 -4.869 -9.840 2.710 625 HB VAL 80 HB VAL 80 -2.992 -10.650 4.998 626 HG11 VAL 80 HG11 VAL 80 -3.446 -12.845 4.655 627 HG12 VAL 80 HG12 VAL 80 -3.950 -12.628 2.981 628 HG13 VAL 80 HG13 VAL 80 -5.019 -12.143 4.317 629 HG21 VAL 80 HG21 VAL 80 -1.992 -11.688 2.635 630 HG22 VAL 80 HG22 VAL 80 -1.369 -10.278 3.491 631 HG23 VAL 80 HG23 VAL 80 -2.527 -10.066 2.182 632 H ASP 81 H ASP 81 -4.427 -9.420 5.970 633 HA ASP 81 HA ASP 81 -6.672 -10.741 6.994 634 HB2 ASP 81 HB3 ASP 81 -4.796 -10.232 8.467 635 HB3 ASP 81 HB2 ASP 81 -5.221 -8.524 8.455 636 H TYR 82 H TYR 82 -6.373 -7.385 6.315 637 HA TYR 82 HA TYR 82 -8.943 -6.250 6.931 638 HB2 TYR 82 HB3 TYR 82 -7.298 -4.772 6.230 639 HB3 TYR 82 HB2 TYR 82 -6.955 -5.685 4.754 640 HD1 TYR 82 HD1 TYR 82 -9.751 -3.672 6.392 641 HD2 TYR 82 HD2 TYR 82 -7.828 -5.011 2.824 642 HE1 TYR 82 HE1 TYR 82 -11.248 -2.313 5.011 643 HE2 TYR 82 HE2 TYR 82 -9.327 -3.688 1.506 644 HH TYR 82 HH TYR 82 -11.211 -2.524 1.513 645 H ARG 83 H ARG 83 -7.751 -7.673 3.949 646 HA ARG 83 HA ARG 83 -10.012 -7.486 2.424 647 HB2 ARG 83 HB3 ARG 83 -8.078 -7.773 1.308 648 HB3 ARG 83 HB2 ARG 83 -7.463 -8.950 2.417 649 HG2 ARG 83 HG3 ARG 83 -9.650 -9.657 0.570 650 HG3 ARG 83 HG2 ARG 83 -7.984 -9.567 -0.074 651 HD2 ARG 83 HD3 ARG 83 -7.527 -11.154 1.990 652 HD3 ARG 83 HD2 ARG 83 -9.249 -11.436 1.943 653 HE ARG 83 HE ARG 83 -8.898 -12.810 0.161 654 HH11 ARG 83 HH11 ARG 83 -6.103 -10.552 0.265 655 HH12 ARG 83 HH12 ARG 83 -5.359 -11.083 -1.120 656 HH21 ARG 83 HH22 ARG 83 -7.886 -13.583 -1.848 657 HH22 ARG 83 HH21 ARG 83 -6.429 -12.939 -2.381 658 H THR 84 H THR 84 -8.905 -9.862 4.289 659 HA THR 84 HA THR 84 -10.971 -11.802 4.092 660 HB THR 84 HB THR 84 -9.173 -11.124 6.326 661 HG1 THR 84 HG1 THR 84 -7.837 -11.808 4.814 662 HG21 THR 84 HG21 THR 84 -11.039 -13.252 5.834 663 HG22 THR 84 HG22 THR 84 -10.720 -12.278 7.282 664 HG23 THR 84 HG23 THR 84 -9.546 -13.584 6.820 665 H ARG 85 H ARG 85 -10.457 -9.919 6.659 666 HA ARG 85 HA ARG 85 -12.804 -10.147 8.036 667 HB2 ARG 85 HB3 ARG 85 -12.765 -8.097 9.394 668 HB3 ARG 85 HB2 ARG 85 -11.266 -9.000 9.403 669 HG2 ARG 85 HG3 ARG 85 -10.125 -7.380 8.186 670 HG3 ARG 85 HG2 ARG 85 -11.588 -6.585 7.621 671 HD2 ARG 85 HD3 ARG 85 -10.430 -5.395 9.393 672 HD3 ARG 85 HD2 ARG 85 -12.119 -5.881 9.756 673 HE ARG 85 HE ARG 85 -11.321 -6.799 11.624 674 HH11 ARG 85 HH11 ARG 85 -8.608 -6.815 9.398 675 HH12 ARG 85 HH12 ARG 85 -7.648 -7.811 10.402 676 HH21 ARG 85 HH22 ARG 85 -9.933 -8.053 13.036 677 HH22 ARG 85 HH21 ARG 85 -8.400 -8.526 12.479 678 H VAL 86 H VAL 86 -12.271 -7.695 5.970 679 HA VAL 86 HA VAL 86 -14.875 -6.541 6.027 680 HB VAL 86 HB VAL 86 -12.771 -6.332 3.879 681 HG11 VAL 86 HG11 VAL 86 -14.379 -5.255 2.617 682 HG12 VAL 86 HG12 VAL 86 -14.437 -4.029 3.889 683 HG13 VAL 86 HG13 VAL 86 -15.543 -5.395 3.938 684 HG21 VAL 86 HG21 VAL 86 -11.773 -5.082 5.430 685 HG22 VAL 86 HG22 VAL 86 -13.177 -5.244 6.482 686 HG23 VAL 86 HG23 VAL 86 -13.114 -3.941 5.300 687 H LEU 87 H LEU 87 -13.497 -9.049 4.082 688 HA LEU 87 HA LEU 87 -15.590 -9.652 2.301 689 HB2 LEU 87 HB3 LEU 87 -13.186 -10.370 2.313 690 HB3 LEU 87 HB2 LEU 87 -13.464 -11.245 3.766 691 HG LEU 87 HG LEU 87 -13.085 -12.677 1.979 692 HD11 LEU 87 HD11 LEU 87 -15.431 -13.880 1.835 693 HD12 LEU 87 HD12 LEU 87 -15.754 -12.752 3.169 694 HD13 LEU 87 HD13 LEU 87 -14.387 -13.858 3.266 695 HD21 LEU 87 HD21 LEU 87 -15.322 -11.314 0.525 696 HD22 LEU 87 HD22 LEU 87 -14.528 -12.803 -0.017 697 HD23 LEU 87 HD23 LEU 87 -13.586 -11.318 0.152 698 H LYS 88 H LYS 88 -14.650 -10.812 5.447 699 HA LYS 88 HA LYS 88 -16.816 -12.465 6.016 700 HB2 LYS 88 HB3 LYS 88 -14.562 -12.606 7.088 701 HB3 LYS 88 HB2 LYS 88 -14.904 -11.140 7.976 702 HG2 LYS 88 HG3 LYS 88 -16.526 -13.627 8.274 703 HG3 LYS 88 HG2 LYS 88 -15.054 -13.325 9.222 704 HD2 LYS 88 HD3 LYS 88 -17.504 -11.553 9.201 705 HD3 LYS 88 HD2 LYS 88 -17.302 -12.878 10.339 706 HE2 LYS 88 HE3 LYS 88 -16.713 -10.753 11.371 707 HE3 LYS 88 HE2 LYS 88 -15.295 -11.781 11.234 708 HZ1 LYS 88 HZ1 LYS 88 -15.916 -9.590 9.313 709 HZ2 LYS 88 HZ2 LYS 88 -14.453 -10.447 9.523 710 HZ3 LYS 88 HZ3 LYS 88 -14.999 -9.411 10.735 711 H ILE 89 H ILE 89 -16.478 -9.012 6.593 712 HA ILE 89 HA ILE 89 -18.711 -8.792 8.327 713 HB ILE 89 HB ILE 89 -16.919 -7.034 6.804 714 HG12 ILE 89 HG13 ILE 89 -17.288 -7.325 9.790 715 HG13 ILE 89 HG12 ILE 89 -15.951 -7.901 8.786 716 HG21 ILE 89 HG21 ILE 89 -19.211 -5.971 8.450 717 HG22 ILE 89 HG22 ILE 89 -19.060 -6.010 6.686 718 HG23 ILE 89 HG23 ILE 89 -17.958 -5.004 7.631 719 HD11 ILE 89 HD11 ILE 89 -15.569 -5.816 10.179 720 HD12 ILE 89 HD12 ILE 89 -16.589 -4.985 9.003 721 HD13 ILE 89 HD13 ILE 89 -15.098 -5.756 8.477 722 H SER 90 H SER 90 -18.023 -8.101 4.929 723 HA SER 90 HA SER 90 -20.715 -7.207 4.450 724 HB2 SER 90 HB3 SER 90 -18.438 -7.723 2.542 725 HB3 SER 90 HB2 SER 90 -19.928 -6.822 2.195 726 HG SER 90 HG SER 90 -17.670 -6.051 3.530 Start of MODEL 10 1 H1 MET 1 H MET 1 -15.880 0.946 0.446 2 H2 MET 1 H2 MET 1 -14.860 0.275 1.611 3 H3 MET 1 H3 MET 1 -15.966 1.425 2.069 4 HA MET 1 HA MET 1 -13.524 1.704 0.411 5 HB2 MET 1 HB3 MET 1 -15.641 3.791 0.946 6 HB3 MET 1 HB2 MET 1 -14.055 4.146 0.281 7 HG2 MET 1 HG3 MET 1 -14.573 2.681 -1.630 8 HG3 MET 1 HG2 MET 1 -16.184 2.432 -0.970 9 HE1 MET 1 HE1 MET 1 -13.687 5.070 -2.522 10 HE2 MET 1 HE2 MET 1 -14.044 5.677 -0.903 11 HE3 MET 1 HE3 MET 1 -14.623 6.559 -2.327 12 H ALA 2 H ALA 2 -15.314 2.845 3.118 13 HA ALA 2 HA ALA 2 -13.200 4.250 4.415 14 HB1 ALA 2 HB1 ALA 2 -15.821 3.275 5.454 15 HB2 ALA 2 HB2 ALA 2 -15.129 4.892 5.509 16 HB3 ALA 2 HB3 ALA 2 -14.602 3.678 6.662 17 H GLU 3 H GLU 3 -14.288 1.076 5.305 18 HA GLU 3 HA GLU 3 -12.641 0.170 7.033 19 HB2 GLU 3 HB3 GLU 3 -12.904 -1.444 4.490 20 HB3 GLU 3 HB2 GLU 3 -12.686 -2.080 6.088 21 HG2 GLU 3 HG3 GLU 3 -14.910 -2.602 5.431 22 HG3 GLU 3 HG2 GLU 3 -14.997 -1.341 6.650 23 H TYR 4 H TYR 4 -12.146 0.209 3.939 24 HA TYR 4 HA TYR 4 -9.394 -0.592 3.513 25 HB2 TYR 4 HB3 TYR 4 -10.849 -0.609 1.605 26 HB3 TYR 4 HB2 TYR 4 -10.833 1.172 1.497 27 HD1 TYR 4 HD1 TYR 4 -8.332 -1.553 1.908 28 HD2 TYR 4 HD2 TYR 4 -9.580 1.762 -0.446 29 HE1 TYR 4 HE1 TYR 4 -6.474 -1.963 0.358 30 HE2 TYR 4 HE2 TYR 4 -7.723 1.364 -1.978 31 HH TYR 4 HH TYR 4 -6.302 -0.539 -2.658 32 H GLY 5 H GLY 5 -10.893 2.481 3.597 33 HA2 GLY 5 HA3 GLY 5 -8.747 4.318 3.402 34 HA3 GLY 5 HA2 GLY 5 -10.184 4.664 4.356 35 H THR 6 H THR 6 -10.036 2.855 6.471 36 HA THR 6 HA THR 6 -8.058 3.877 8.154 37 HB THR 6 HB THR 6 -9.695 1.376 8.316 38 HG1 THR 6 HG1 THR 6 -11.269 2.884 8.221 39 HG21 THR 6 HG21 THR 6 -7.780 1.927 9.915 40 HG22 THR 6 HG22 THR 6 -9.327 1.376 10.581 41 HG23 THR 6 HG23 THR 6 -8.928 3.100 10.606 42 H LEU 7 H LEU 7 -8.526 0.940 6.544 43 HA LEU 7 HA LEU 7 -6.299 -0.620 7.156 44 HB2 LEU 7 HB3 LEU 7 -7.995 -1.489 5.816 45 HB3 LEU 7 HB2 LEU 7 -7.672 -0.371 4.522 46 HG LEU 7 HG LEU 7 -7.168 -2.706 4.285 47 HD11 LEU 7 HD11 LEU 7 -4.988 -2.304 3.019 48 HD12 LEU 7 HD12 LEU 7 -5.012 -0.671 3.753 49 HD13 LEU 7 HD13 LEU 7 -6.335 -1.200 2.696 50 HD21 LEU 7 HD21 LEU 7 -4.544 -2.320 5.563 51 HD22 LEU 7 HD22 LEU 7 -5.422 -3.814 5.254 52 HD23 LEU 7 HD23 LEU 7 -5.936 -2.742 6.568 53 H LEU 8 H LEU 8 -6.310 1.552 4.634 54 HA LEU 8 HA LEU 8 -3.469 1.699 4.093 55 HB2 LEU 8 HB3 LEU 8 -5.415 3.979 3.556 56 HB3 LEU 8 HB2 LEU 8 -3.685 3.989 3.220 57 HG LEU 8 HG LEU 8 -3.871 2.402 1.481 58 HD11 LEU 8 HD11 LEU 8 -6.825 2.070 1.872 59 HD12 LEU 8 HD12 LEU 8 -5.689 0.996 2.677 60 HD13 LEU 8 HD13 LEU 8 -5.718 1.090 0.927 61 HD21 LEU 8 HD21 LEU 8 -5.294 4.820 1.480 62 HD22 LEU 8 HD22 LEU 8 -6.212 3.659 0.524 63 HD23 LEU 8 HD23 LEU 8 -4.529 3.989 0.120 64 H GLN 9 H GLN 9 -5.363 3.458 6.376 65 HA GLN 9 HA GLN 9 -3.420 5.228 7.532 66 HB2 GLN 9 HB3 GLN 9 -5.694 5.775 7.476 67 HB3 GLN 9 HB2 GLN 9 -6.165 4.210 8.120 68 HG2 GLN 9 HG3 GLN 9 -6.464 5.728 9.736 69 HG3 GLN 9 HG2 GLN 9 -5.020 4.749 10.039 70 HE21 GLN 9 HE22 GLN 9 -3.570 5.903 11.184 71 HE22 GLN 9 HE21 GLN 9 -2.998 7.467 10.788 72 H ASP 10 H ASP 10 -4.247 2.156 8.018 73 HA ASP 10 HA ASP 10 -3.079 1.848 10.650 74 HB2 ASP 10 HB3 ASP 10 -4.708 -0.229 9.265 75 HB3 ASP 10 HB2 ASP 10 -3.591 -0.673 10.539 76 H LEU 11 H LEU 11 -2.187 0.888 7.378 77 HA LEU 11 HA LEU 11 0.155 -0.333 8.438 78 HB2 LEU 11 HB3 LEU 11 0.829 -0.731 6.166 79 HB3 LEU 11 HB2 LEU 11 -0.733 -1.469 6.493 80 HG LEU 11 HG LEU 11 -1.555 0.723 5.318 81 HD11 LEU 11 HD11 LEU 11 1.159 1.086 5.268 82 HD12 LEU 11 HD12 LEU 11 -0.071 2.020 4.398 83 HD13 LEU 11 HD13 LEU 11 0.729 0.652 3.608 84 HD21 LEU 11 HD21 LEU 11 -0.348 -1.095 3.330 85 HD22 LEU 11 HD22 LEU 11 -2.019 -0.590 3.531 86 HD23 LEU 11 HD23 LEU 11 -1.363 -1.877 4.544 87 H THR 12 H THR 12 -0.915 2.495 7.232 88 HA THR 12 HA THR 12 1.527 3.860 6.785 89 HB THR 12 HB THR 12 -1.241 4.950 7.283 90 HG1 THR 12 HG1 THR 12 -1.118 3.998 5.344 91 HG21 THR 12 HG21 THR 12 -0.302 6.836 7.634 92 HG22 THR 12 HG22 THR 12 0.174 6.755 5.911 93 HG23 THR 12 HG23 THR 12 1.293 6.154 7.222 94 H ASN 13 H ASN 13 -0.488 3.434 9.626 95 HA ASN 13 HA ASN 13 0.973 5.091 11.433 96 HB2 ASN 13 HB3 ASN 13 -0.492 2.506 12.117 97 HB3 ASN 13 HB2 ASN 13 0.186 3.592 13.296 98 HD21 ASN 13 HD22 ASN 13 -2.589 2.612 12.209 99 HD22 ASN 13 HD21 ASN 13 -3.533 4.036 12.299 100 H ASN 14 H ASN 14 1.439 1.891 10.266 101 HA ASN 14 HA ASN 14 3.749 1.489 12.000 102 HB2 ASN 14 HB3 ASN 14 2.374 -0.396 10.080 103 HB3 ASN 14 HB2 ASN 14 3.814 -0.808 11.001 104 HD21 ASN 14 HD22 ASN 14 0.465 -0.839 11.073 105 HD22 ASN 14 HD21 ASN 14 0.277 -1.126 12.763 106 H ILE 15 H ILE 15 3.266 2.936 9.104 107 HA ILE 15 HA ILE 15 5.603 2.015 7.705 108 HB ILE 15 HB ILE 15 3.408 3.966 7.184 109 HG12 ILE 15 HG13 ILE 15 3.358 1.640 6.318 110 HG13 ILE 15 HG12 ILE 15 3.175 2.893 5.084 111 HG21 ILE 15 HG21 ILE 15 5.768 5.049 6.707 112 HG22 ILE 15 HG22 ILE 15 4.327 5.288 5.677 113 HG23 ILE 15 HG23 ILE 15 5.538 4.097 5.231 114 HD11 ILE 15 HD11 ILE 15 5.969 2.200 5.418 115 HD12 ILE 15 HD12 ILE 15 4.969 2.191 3.987 116 HD13 ILE 15 HD13 ILE 15 5.017 0.771 5.020 117 H THR 16 H THR 16 7.564 2.565 8.208 118 HA THR 16 HA THR 16 8.110 5.104 9.414 119 HB THR 16 HB THR 16 10.375 4.412 9.562 120 HG1 THR 16 HG1 THR 16 10.050 1.811 8.667 121 HG21 THR 16 HG21 THR 16 8.778 3.655 11.117 122 HG22 THR 16 HG22 THR 16 10.246 2.627 10.998 123 HG23 THR 16 HG23 THR 16 8.728 2.111 10.169 124 H LEU 17 H LEU 17 9.378 6.387 8.420 125 HA LEU 17 HA LEU 17 9.103 6.998 5.699 126 HB2 LEU 17 HB3 LEU 17 10.172 8.549 7.338 127 HB3 LEU 17 HB2 LEU 17 11.606 7.549 7.322 128 HG LEU 17 HG LEU 17 11.986 8.130 4.966 129 HD11 LEU 17 HD11 LEU 17 9.407 9.573 5.353 130 HD12 LEU 17 HD12 LEU 17 9.966 8.651 3.966 131 HD13 LEU 17 HD13 LEU 17 10.590 10.279 4.261 132 HD21 LEU 17 HD21 LEU 17 13.112 9.423 6.622 133 HD22 LEU 17 HD22 LEU 17 11.690 10.432 6.898 134 HD23 LEU 17 HD23 LEU 17 12.546 10.522 5.359 135 H GLU 18 H GLU 18 11.688 5.214 7.217 136 HA GLU 18 HA GLU 18 12.972 4.343 4.842 137 HB2 GLU 18 HB3 GLU 18 13.140 2.929 7.508 138 HB3 GLU 18 HB2 GLU 18 14.085 2.529 6.069 139 HG2 GLU 18 HG3 GLU 18 15.050 4.807 6.147 140 HG3 GLU 18 HG2 GLU 18 14.114 5.098 7.609 141 H ASP 19 H ASP 19 10.642 2.716 6.660 142 HA ASP 19 HA ASP 19 10.315 0.271 5.157 143 HB2 ASP 19 HB3 ASP 19 8.141 1.866 6.559 144 HB3 ASP 19 HB2 ASP 19 7.766 0.314 5.776 145 H LEU 20 H LEU 20 8.449 3.231 4.668 146 HA LEU 20 HA LEU 20 7.470 2.559 2.266 147 HB2 LEU 20 HB3 LEU 20 8.265 5.224 3.178 148 HB3 LEU 20 HB2 LEU 20 7.775 4.976 1.519 149 HG LEU 20 HG LEU 20 6.080 4.341 3.898 150 HD11 LEU 20 HD11 LEU 20 5.100 6.364 3.429 151 HD12 LEU 20 HD12 LEU 20 5.799 6.452 1.812 152 HD13 LEU 20 HD13 LEU 20 6.806 6.732 3.234 153 HD21 LEU 20 HD21 LEU 20 4.761 3.256 2.417 154 HD22 LEU 20 HD22 LEU 20 6.080 3.381 1.261 155 HD23 LEU 20 HD23 LEU 20 4.833 4.622 1.294 156 H GLU 21 H GLU 21 10.562 4.016 2.763 157 HA GLU 21 HA GLU 21 10.978 4.084 -0.001 158 HB2 GLU 21 HB3 GLU 21 13.186 4.224 2.034 159 HB3 GLU 21 HB2 GLU 21 13.374 4.488 0.294 160 HG2 GLU 21 HG3 GLU 21 11.613 6.284 0.506 161 HG3 GLU 21 HG2 GLU 21 11.801 6.134 2.241 162 H GLN 22 H GLN 22 11.471 1.803 2.238 163 HA GLN 22 HA GLN 22 12.880 0.007 0.555 164 HB2 GLN 22 HB3 GLN 22 12.797 -0.112 3.110 165 HB3 GLN 22 HB2 GLN 22 11.202 -0.811 2.943 166 HG2 GLN 22 HG3 GLN 22 13.692 -1.983 1.801 167 HG3 GLN 22 HG2 GLN 22 13.067 -2.445 3.400 168 HE21 GLN 22 HE22 GLN 22 13.514 -3.509 0.567 169 HE22 GLN 22 HE21 GLN 22 12.057 -4.397 0.226 170 H LEU 23 H LEU 23 9.328 0.399 1.241 171 HA LEU 23 HA LEU 23 8.411 -1.502 -0.528 172 HB2 LEU 23 HB3 LEU 23 7.326 1.221 0.233 173 HB3 LEU 23 HB2 LEU 23 6.384 -0.012 -0.604 174 HG LEU 23 HG LEU 23 7.429 -0.052 2.192 175 HD11 LEU 23 HD11 LEU 23 4.601 0.067 1.200 176 HD12 LEU 23 HD12 LEU 23 5.536 1.472 1.685 177 HD13 LEU 23 HD13 LEU 23 5.173 0.210 2.859 178 HD21 LEU 23 HD21 LEU 23 5.535 -2.000 2.003 179 HD22 LEU 23 HD22 LEU 23 7.287 -2.242 2.021 180 HD23 LEU 23 HD23 LEU 23 6.442 -2.161 0.490 181 H LYS 24 H LYS 24 9.284 1.681 -0.888 182 HA LYS 24 HA LYS 24 8.744 2.329 -3.666 183 HB2 LYS 24 HB3 LYS 24 10.999 3.429 -1.940 184 HB3 LYS 24 HB2 LYS 24 10.558 4.061 -3.514 185 HG2 LYS 24 HG3 LYS 24 8.512 4.893 -2.798 186 HG3 LYS 24 HG2 LYS 24 8.516 3.918 -1.331 187 HD2 LYS 24 HD3 LYS 24 8.935 6.333 -0.890 188 HD3 LYS 24 HD2 LYS 24 10.259 5.299 -0.372 189 HE2 LYS 24 HE3 LYS 24 11.524 5.933 -2.352 190 HE3 LYS 24 HE2 LYS 24 10.166 6.897 -2.915 191 HZ1 LYS 24 HZ1 LYS 24 10.543 7.988 -0.508 192 HZ2 LYS 24 HZ2 LYS 24 11.270 8.542 -1.910 193 HZ3 LYS 24 HZ3 LYS 24 12.127 7.567 -0.822 194 H SER 25 H SER 25 11.346 1.314 -2.192 195 HA SER 25 HA SER 25 13.301 0.690 -4.209 196 HB2 SER 25 HB3 SER 25 13.210 -0.879 -1.559 197 HB3 SER 25 HB2 SER 25 14.558 -0.951 -2.694 198 HG SER 25 HG SER 25 13.576 1.363 -1.367 199 H ALA 26 H ALA 26 11.139 -1.325 -2.742 200 HA ALA 26 HA ALA 26 11.257 -3.530 -4.609 201 HB1 ALA 26 HB1 ALA 26 9.912 -4.408 -2.984 202 HB2 ALA 26 HB2 ALA 26 8.585 -3.484 -3.704 203 HB3 ALA 26 HB3 ALA 26 9.517 -2.805 -2.395 204 H CYS 27 H CYS 27 9.123 -0.670 -4.436 205 HA CYS 27 HA CYS 27 7.782 -1.244 -6.769 206 HB2 CYS 27 HB3 CYS 27 8.028 1.384 -5.392 207 HB3 CYS 27 HB2 CYS 27 6.866 0.865 -6.619 208 HG CYS 27 HG CYS 27 7.109 -0.521 -3.541 209 H LYS 28 H LYS 28 10.925 -0.223 -6.712 210 HA LYS 28 HA LYS 28 11.056 2.106 -8.177 211 HB2 LYS 28 HB3 LYS 28 12.879 -0.288 -8.351 212 HB3 LYS 28 HB2 LYS 28 13.277 1.244 -9.122 213 HG2 LYS 28 HG3 LYS 28 13.293 2.260 -6.862 214 HG3 LYS 28 HG2 LYS 28 12.933 0.670 -6.183 215 HD2 LYS 28 HD3 LYS 28 15.349 1.209 -6.031 216 HD3 LYS 28 HD2 LYS 28 15.051 -0.169 -7.085 217 HE2 LYS 28 HE3 LYS 28 15.284 1.314 -9.048 218 HE3 LYS 28 HE2 LYS 28 15.528 2.683 -7.971 219 HZ1 LYS 28 HZ1 LYS 28 17.679 2.110 -7.652 220 HZ2 LYS 28 HZ2 LYS 28 17.468 1.191 -9.050 221 HZ3 LYS 28 HZ3 LYS 28 17.333 0.436 -7.582 222 H GLU 29 H GLU 29 10.537 -1.065 -9.419 223 HA GLU 29 HA GLU 29 10.565 -0.285 -12.152 224 HB2 GLU 29 HB3 GLU 29 9.496 -2.793 -10.869 225 HB3 GLU 29 HB2 GLU 29 9.737 -2.533 -12.598 226 HG2 GLU 29 HG3 GLU 29 12.114 -2.220 -12.252 227 HG3 GLU 29 HG2 GLU 29 11.913 -2.401 -10.523 228 H ASP 30 H ASP 30 7.975 -0.743 -9.786 229 HA ASP 30 HA ASP 30 6.038 -0.313 -11.850 230 HB2 ASP 30 HB3 ASP 30 5.616 -0.883 -8.945 231 HB3 ASP 30 HB2 ASP 30 4.308 -0.555 -10.069 232 H ILE 31 H ILE 31 7.007 1.571 -9.032 233 HA ILE 31 HA ILE 31 5.073 3.550 -9.925 234 HB ILE 31 HB ILE 31 5.118 2.733 -7.506 235 HG12 ILE 31 HG13 ILE 31 4.047 4.945 -8.029 236 HG13 ILE 31 HG12 ILE 31 4.671 4.833 -6.389 237 HG21 ILE 31 HG21 ILE 31 6.662 3.629 -5.961 238 HG22 ILE 31 HG22 ILE 31 7.548 4.414 -7.246 239 HG23 ILE 31 HG23 ILE 31 7.481 2.628 -7.175 240 HD11 ILE 31 HD11 ILE 31 5.081 6.905 -8.075 241 HD12 ILE 31 HD12 ILE 31 6.530 5.892 -8.310 242 HD13 ILE 31 HD13 ILE 31 6.055 6.493 -6.666 243 HA PRO 32 HA PRO 32 8.124 5.452 -12.080 244 HB2 PRO 32 HB2 PRO 32 6.793 8.059 -11.489 245 HB3 PRO 32 HB3 PRO 32 7.273 7.381 -13.035 246 HG2 PRO 32 HG3 PRO 32 4.725 7.293 -12.284 247 HG3 PRO 32 HG2 PRO 32 5.464 5.913 -13.131 248 HD2 PRO 32 HD3 PRO 32 4.880 6.288 -10.233 249 HD3 PRO 32 HD2 PRO 32 4.696 4.809 -11.210 250 H SER 33 H SER 33 9.939 6.270 -11.842 251 HA SER 33 HA SER 33 11.331 6.637 -9.380 252 HB2 SER 33 HB3 SER 33 12.553 6.185 -11.530 253 HB3 SER 33 HB2 SER 33 12.204 7.837 -12.050 254 HG SER 33 HG SER 33 13.419 8.140 -9.749 255 H GLU 34 H GLU 34 10.429 9.028 -11.629 256 HA GLU 34 HA GLU 34 10.791 11.472 -10.452 257 HB2 GLU 34 HB3 GLU 34 9.840 11.242 -12.694 258 HB3 GLU 34 HB2 GLU 34 8.320 10.663 -12.026 259 HG2 GLU 34 HG3 GLU 34 7.925 12.865 -11.065 260 HG3 GLU 34 HG2 GLU 34 9.463 13.438 -11.722 261 H LYS 35 H LYS 35 8.167 9.552 -10.074 262 HA LYS 35 HA LYS 35 6.975 11.062 -7.968 263 HB2 LYS 35 HB3 LYS 35 6.023 8.447 -9.080 264 HB3 LYS 35 HB2 LYS 35 5.158 9.309 -7.818 265 HG2 LYS 35 HG3 LYS 35 5.872 10.464 -10.482 266 HG3 LYS 35 HG2 LYS 35 4.276 9.830 -10.013 267 HD2 LYS 35 HD3 LYS 35 4.147 11.354 -8.202 268 HD3 LYS 35 HD2 LYS 35 5.716 12.028 -8.521 269 HE2 LYS 35 HE3 LYS 35 4.887 12.848 -10.672 270 HE3 LYS 35 HE2 LYS 35 3.271 12.260 -10.260 271 HZ1 LYS 35 HZ1 LYS 35 4.447 14.688 -9.441 272 HZ2 LYS 35 HZ2 LYS 35 4.301 13.689 -8.089 273 HZ3 LYS 35 HZ3 LYS 35 2.938 14.085 -8.959 274 H SER 36 H SER 36 8.476 7.945 -7.771 275 HA SER 36 HA SER 36 8.244 7.469 -5.104 276 HB2 SER 36 HB3 SER 36 9.247 5.919 -6.570 277 HB3 SER 36 HB2 SER 36 10.655 6.968 -6.893 278 HG SER 36 HG SER 36 11.385 5.600 -5.426 279 H GLU 37 H GLU 37 9.949 9.890 -6.509 280 HA GLU 37 HA GLU 37 11.873 10.682 -4.567 281 HB2 GLU 37 HB3 GLU 37 10.312 12.402 -6.449 282 HB3 GLU 37 HB2 GLU 37 11.558 13.058 -5.394 283 HG2 GLU 37 HG3 GLU 37 12.014 10.902 -7.413 284 HG3 GLU 37 HG2 GLU 37 12.314 12.621 -7.746 285 H GLU 38 H GLU 38 8.511 12.132 -4.918 286 HA GLU 38 HA GLU 38 8.778 13.382 -2.520 287 HB2 GLU 38 HB3 GLU 38 6.537 14.165 -3.160 288 HB3 GLU 38 HB2 GLU 38 7.715 14.276 -4.455 289 HG2 GLU 38 HG3 GLU 38 6.794 12.217 -5.474 290 HG3 GLU 38 HG2 GLU 38 5.574 12.159 -4.222 291 H ILE 39 H ILE 39 8.445 10.256 -2.639 292 HA ILE 39 HA ILE 39 6.064 10.020 -1.074 293 HB ILE 39 HB ILE 39 7.840 7.892 -2.207 294 HG12 ILE 39 HG13 ILE 39 5.000 8.775 -2.811 295 HG13 ILE 39 HG12 ILE 39 6.430 9.200 -3.744 296 HG21 ILE 39 HG21 ILE 39 5.861 6.364 -1.526 297 HG22 ILE 39 HG22 ILE 39 5.408 7.676 -0.432 298 HG23 ILE 39 HG23 ILE 39 6.957 6.851 -0.214 299 HD11 ILE 39 HD11 ILE 39 6.660 7.045 -4.491 300 HD12 ILE 39 HD12 ILE 39 4.923 7.415 -4.540 301 HD13 ILE 39 HD13 ILE 39 5.585 6.427 -3.206 302 H THR 40 H THR 40 7.089 11.418 0.460 303 HA THR 40 HA THR 40 8.753 10.098 2.424 304 HB THR 40 HB THR 40 9.384 12.308 1.803 305 HG1 THR 40 HG1 THR 40 8.527 11.834 4.390 306 HG21 THR 40 HG21 THR 40 7.196 13.841 2.914 307 HG22 THR 40 HG22 THR 40 6.663 12.724 1.655 308 HG23 THR 40 HG23 THR 40 7.914 13.876 1.276 309 H THR 41 H THR 41 5.729 9.760 2.029 310 HA THR 41 HA THR 41 5.286 9.016 4.689 311 HB THR 41 HB THR 41 4.688 11.263 5.073 312 HG1 THR 41 HG1 THR 41 2.985 10.780 6.254 313 HG21 THR 41 HG21 THR 41 2.286 11.238 3.328 314 HG22 THR 41 HG22 THR 41 3.867 11.563 2.611 315 HG23 THR 41 HG23 THR 41 3.227 12.601 3.905 316 H GLY 42 H GLY 42 3.489 7.824 5.081 317 HA2 GLY 42 HA3 GLY 42 3.183 5.884 3.021 318 HA3 GLY 42 HA2 GLY 42 2.204 5.926 4.489 319 H SER 43 H SER 43 0.644 8.216 4.342 320 HA SER 43 HA SER 43 -1.264 7.763 2.636 321 HB2 SER 43 HB3 SER 43 -0.234 10.377 3.759 322 HB3 SER 43 HB2 SER 43 -1.888 10.010 3.252 323 HG SER 43 HG SER 43 -1.368 9.852 5.546 324 H ALA 44 H ALA 44 1.529 9.705 2.247 325 HA ALA 44 HA ALA 44 0.967 11.127 -0.152 326 HB1 ALA 44 HB1 ALA 44 3.075 11.917 0.019 327 HB2 ALA 44 HB2 ALA 44 3.712 10.320 -0.392 328 HB3 ALA 44 HB3 ALA 44 3.381 10.727 1.291 329 H TRP 45 H TRP 45 2.556 7.976 0.122 330 HA TRP 45 HA TRP 45 2.544 7.471 -2.669 331 HB2 TRP 45 HB3 TRP 45 3.987 6.302 -0.986 332 HB3 TRP 45 HB2 TRP 45 2.547 5.522 -0.372 333 HD1 TRP 45 HD1 TRP 45 3.775 5.836 -4.092 334 HE1 TRP 45 HE1 TRP 45 3.918 3.433 -4.994 335 HE3 TRP 45 HE3 TRP 45 2.471 3.223 0.108 336 HZ2 TRP 45 HZ2 TRP 45 3.548 0.859 -4.134 337 HZ3 TRP 45 HZ3 TRP 45 2.383 0.790 -0.042 338 HH2 TRP 45 HH2 TRP 45 2.910 -0.358 -2.126 339 H PHE 46 H PHE 46 0.297 6.264 -0.149 340 HA PHE 46 HA PHE 46 -1.220 4.975 -2.017 341 HB2 PHE 46 HB3 PHE 46 -2.272 6.375 0.425 342 HB3 PHE 46 HB2 PHE 46 -3.231 5.317 -0.598 343 HD1 PHE 46 HD1 PHE 46 -2.015 3.026 -1.115 344 HD2 PHE 46 HD2 PHE 46 -1.461 5.451 2.354 345 HE1 PHE 46 HE1 PHE 46 -1.433 1.031 0.156 346 HE2 PHE 46 HE2 PHE 46 -0.927 3.433 3.663 347 HZ PHE 46 HZ PHE 46 -0.898 1.215 2.519 348 H SER 47 H SER 47 -1.657 8.049 -0.852 349 HA SER 47 HA SER 47 -3.691 9.061 -2.572 350 HB2 SER 47 HB3 SER 47 -1.550 10.734 -1.301 351 HB3 SER 47 HB2 SER 47 -3.018 11.389 -2.031 352 HG SER 47 HG SER 47 -3.995 9.690 -0.505 353 H PHE 48 H PHE 48 -0.293 8.823 -3.297 354 HA PHE 48 HA PHE 48 -0.498 10.284 -5.790 355 HB2 PHE 48 HB3 PHE 48 1.718 9.919 -4.897 356 HB3 PHE 48 HB2 PHE 48 1.460 8.190 -4.803 357 HD1 PHE 48 HD1 PHE 48 1.165 10.852 -7.390 358 HD2 PHE 48 HD2 PHE 48 2.309 6.917 -6.360 359 HE1 PHE 48 HE1 PHE 48 1.748 10.440 -9.701 360 HE2 PHE 48 HE2 PHE 48 2.957 6.464 -8.667 361 HZ PHE 48 HZ PHE 48 2.664 8.239 -10.380 362 H LEU 49 H LEU 49 -0.319 6.792 -4.880 363 HA LEU 49 HA LEU 49 -0.545 5.637 -7.233 364 HB2 LEU 49 HB3 LEU 49 -0.022 5.019 -4.870 365 HB3 LEU 49 HB2 LEU 49 -1.763 4.737 -4.684 366 HG LEU 49 HG LEU 49 -1.464 2.648 -6.251 367 HD11 LEU 49 HD11 LEU 49 0.663 2.208 -7.106 368 HD12 LEU 49 HD12 LEU 49 1.357 3.603 -6.268 369 HD13 LEU 49 HD13 LEU 49 0.226 3.841 -7.598 370 HD21 LEU 49 HD21 LEU 49 0.764 2.075 -4.657 371 HD22 LEU 49 HD22 LEU 49 -0.910 1.626 -4.358 372 HD23 LEU 49 HD23 LEU 49 -0.270 3.111 -3.675 373 H GLU 50 H GLU 50 -3.063 6.094 -4.821 374 HA GLU 50 HA GLU 50 -5.531 5.499 -5.979 375 HB2 GLU 50 HB3 GLU 50 -5.232 8.024 -4.318 376 HB3 GLU 50 HB2 GLU 50 -6.733 7.221 -4.675 377 HG2 GLU 50 HG3 GLU 50 -6.082 5.316 -3.317 378 HG3 GLU 50 HG2 GLU 50 -4.508 6.090 -3.001 379 H SER 51 H SER 51 -4.155 8.298 -6.028 380 HA SER 51 HA SER 51 -5.848 9.864 -7.711 381 HB2 SER 51 HB3 SER 51 -2.885 10.487 -7.550 382 HB3 SER 51 HB2 SER 51 -4.083 11.551 -8.309 383 HG SER 51 HG SER 51 -3.821 10.801 -5.610 384 H HIS 52 H HIS 52 -3.427 7.644 -8.592 385 HA HIS 52 HA HIS 52 -4.164 7.985 -11.405 386 HB2 HIS 52 HB3 HIS 52 -1.702 6.669 -10.245 387 HB3 HIS 52 HB2 HIS 52 -2.079 6.557 -11.994 388 HD1 HIS 52 HD1 HIS 52 0.033 7.973 -12.744 389 HD2 HIS 52 HD2 HIS 52 -2.192 9.542 -9.683 390 HE1 HIS 52 HE1 HIS 52 0.992 10.263 -12.418 391 H ASN 53 H ASN 53 -4.076 5.680 -12.555 392 HA ASN 53 HA ASN 53 -6.138 4.264 -11.105 393 HB2 ASN 53 HB3 ASN 53 -5.048 3.759 -13.888 394 HB3 ASN 53 HB2 ASN 53 -6.408 2.902 -13.174 395 HD21 ASN 53 HD22 ASN 53 -5.682 5.158 -15.335 396 HD22 ASN 53 HD21 ASN 53 -7.042 6.204 -15.172 397 H LYS 54 H LYS 54 -3.705 4.009 -9.793 398 HA LYS 54 HA LYS 54 -3.212 1.340 -10.387 399 HB2 LYS 54 HB3 LYS 54 -1.250 3.214 -9.069 400 HB3 LYS 54 HB2 LYS 54 -0.989 1.465 -9.033 401 HG2 LYS 54 HG3 LYS 54 -1.328 3.136 -11.490 402 HG3 LYS 54 HG2 LYS 54 0.158 2.355 -10.883 403 HD2 LYS 54 HD3 LYS 54 -0.718 0.178 -11.211 404 HD3 LYS 54 HD2 LYS 54 -2.339 0.839 -11.428 405 HE2 LYS 54 HE3 LYS 54 -1.571 0.155 -13.404 406 HE3 LYS 54 HE2 LYS 54 -1.845 1.882 -13.131 407 HZ1 LYS 54 HZ1 LYS 54 0.897 0.653 -13.113 408 HZ2 LYS 54 HZ2 LYS 54 0.567 2.311 -13.192 409 HZ3 LYS 54 HZ3 LYS 54 0.247 1.339 -14.517 410 H LEU 55 H LEU 55 -5.104 2.960 -8.362 411 HA LEU 55 HA LEU 55 -5.509 0.690 -6.736 412 HB2 LEU 55 HB3 LEU 55 -3.476 1.539 -5.604 413 HB3 LEU 55 HB2 LEU 55 -4.269 3.056 -5.321 414 HG LEU 55 HG LEU 55 -5.288 0.495 -4.057 415 HD11 LEU 55 HD11 LEU 55 -3.095 0.652 -3.180 416 HD12 LEU 55 HD12 LEU 55 -4.043 1.483 -1.987 417 HD13 LEU 55 HD13 LEU 55 -3.097 2.411 -3.161 418 HD21 LEU 55 HD21 LEU 55 -5.818 3.379 -3.768 419 HD22 LEU 55 HD22 LEU 55 -5.740 2.453 -2.271 420 HD23 LEU 55 HD23 LEU 55 -6.898 2.011 -3.545 421 H ASP 56 H ASP 56 -7.463 0.591 -7.045 422 HA ASP 56 HA ASP 56 -9.276 2.647 -6.388 423 HB2 ASP 56 HB3 ASP 56 -9.624 0.098 -7.723 424 HB3 ASP 56 HB2 ASP 56 -10.959 0.467 -6.645 425 H LYS 57 H LYS 57 -11.024 2.249 -4.989 426 HA LYS 57 HA LYS 57 -10.348 1.841 -2.299 427 HB2 LYS 57 HB3 LYS 57 -12.701 1.789 -1.757 428 HB3 LYS 57 HB2 LYS 57 -12.446 2.998 -2.994 429 HG2 LYS 57 HG3 LYS 57 -13.429 0.234 -3.429 430 HG3 LYS 57 HG2 LYS 57 -14.494 1.664 -3.355 431 HD2 LYS 57 HD3 LYS 57 -13.220 2.567 -5.247 432 HD3 LYS 57 HD2 LYS 57 -12.300 1.038 -5.206 433 HE2 LYS 57 HE3 LYS 57 -13.997 1.058 -7.074 434 HE3 LYS 57 HE2 LYS 57 -14.234 -0.228 -5.911 435 HZ1 LYS 57 HZ1 LYS 57 -15.807 2.141 -5.262 436 HZ2 LYS 57 HZ2 LYS 57 -16.198 0.511 -5.392 437 HZ3 LYS 57 HZ3 LYS 57 -16.174 1.455 -6.756 438 H ASP 58 H ASP 58 -11.364 -0.541 -4.715 439 HA ASP 58 HA ASP 58 -11.420 -2.569 -2.679 440 HB2 ASP 58 HB3 ASP 58 -12.636 -3.950 -4.387 441 HB3 ASP 58 HB2 ASP 58 -13.486 -2.510 -3.834 442 H ASN 59 H ASN 59 -9.803 -1.612 -5.507 443 HA ASN 59 HA ASN 59 -8.352 -4.113 -5.576 444 HB2 ASN 59 HB3 ASN 59 -8.094 -1.637 -7.247 445 HB3 ASN 59 HB2 ASN 59 -7.110 -3.095 -7.464 446 HD21 ASN 59 HD22 ASN 59 -9.977 -1.631 -7.919 447 HD22 ASN 59 HD21 ASN 59 -10.885 -2.852 -8.734 448 H LEU 60 H LEU 60 -6.757 -4.521 -4.619 449 HA LEU 60 HA LEU 60 -4.970 -2.404 -3.621 450 HB2 LEU 60 HB3 LEU 60 -4.660 -3.498 -1.494 451 HB3 LEU 60 HB2 LEU 60 -6.338 -3.149 -1.782 452 HG LEU 60 HG LEU 60 -4.982 -5.842 -1.827 453 HD11 LEU 60 HD11 LEU 60 -5.261 -5.172 0.359 454 HD12 LEU 60 HD12 LEU 60 -6.648 -6.218 0.051 455 HD13 LEU 60 HD13 LEU 60 -6.826 -4.451 0.026 456 HD21 LEU 60 HD21 LEU 60 -6.591 -6.337 -3.314 457 HD22 LEU 60 HD22 LEU 60 -7.657 -5.028 -2.795 458 HD23 LEU 60 HD23 LEU 60 -7.561 -6.525 -1.848 459 H SER 61 H SER 61 -5.229 -5.127 -5.278 460 HA SER 61 HA SER 61 -3.178 -6.799 -4.878 461 HB2 SER 61 HB3 SER 61 -4.860 -7.165 -6.673 462 HB3 SER 61 HB2 SER 61 -4.078 -5.927 -7.643 463 HG SER 61 HG SER 61 -3.175 -8.467 -6.883 464 H TYR 62 H TYR 62 -2.896 -3.828 -6.417 465 HA TYR 62 HA TYR 62 -0.250 -3.834 -7.413 466 HB2 TYR 62 HB3 TYR 62 -1.819 -1.909 -7.738 467 HB3 TYR 62 HB2 TYR 62 -1.640 -1.487 -6.035 468 HD1 TYR 62 HD1 TYR 62 0.030 -1.531 -9.305 469 HD2 TYR 62 HD2 TYR 62 0.334 -0.373 -5.246 470 HE1 TYR 62 HE1 TYR 62 2.077 -0.295 -9.806 471 HE2 TYR 62 HE2 TYR 62 2.441 0.706 -5.655 472 HH TYR 62 HH TYR 62 4.286 0.361 -8.040 473 H ILE 63 H ILE 63 -1.529 -2.831 -4.322 474 HA ILE 63 HA ILE 63 1.011 -2.283 -3.093 475 HB ILE 63 HB ILE 63 -0.090 -1.318 -1.318 476 HG12 ILE 63 HG13 ILE 63 -2.727 -2.361 -2.295 477 HG13 ILE 63 HG12 ILE 63 -1.844 -3.177 -0.987 478 HG21 ILE 63 HG21 ILE 63 -1.425 0.224 -2.344 479 HG22 ILE 63 HG22 ILE 63 -1.786 -0.950 -3.647 480 HG23 ILE 63 HG23 ILE 63 -0.158 -0.270 -3.497 481 HD11 ILE 63 HD11 ILE 63 -1.990 -1.349 0.383 482 HD12 ILE 63 HD12 ILE 63 -3.632 -1.444 -0.316 483 HD13 ILE 63 HD13 ILE 63 -2.407 -0.290 -0.942 484 H GLU 64 H GLU 64 -1.158 -4.805 -3.163 485 HA GLU 64 HA GLU 64 -0.578 -6.076 -0.630 486 HB2 GLU 64 HB3 GLU 64 -2.593 -6.580 -1.965 487 HB3 GLU 64 HB2 GLU 64 -1.583 -7.295 -3.211 488 HG2 GLU 64 HG3 GLU 64 -0.839 -8.974 -1.503 489 HG3 GLU 64 HG2 GLU 64 -2.002 -8.242 -0.400 490 H HIS 65 H HIS 65 0.487 -6.742 -3.970 491 HA HIS 65 HA HIS 65 2.700 -8.409 -3.502 492 HB2 HIS 65 HB3 HIS 65 1.622 -7.594 -5.673 493 HB3 HIS 65 HB2 HIS 65 2.319 -6.030 -5.300 494 HD1 HIS 65 HD1 HIS 65 3.554 -9.564 -6.140 495 HD2 HIS 65 HD2 HIS 65 4.622 -5.572 -6.335 496 HE1 HIS 65 HE1 HIS 65 5.828 -9.575 -7.149 497 H ILE 66 H ILE 66 2.827 -5.016 -3.778 498 HA ILE 66 HA ILE 66 5.354 -4.566 -3.148 499 HB ILE 66 HB ILE 66 3.159 -2.960 -1.935 500 HG12 ILE 66 HG13 ILE 66 2.965 -3.354 -4.150 501 HG13 ILE 66 HG12 ILE 66 3.225 -1.588 -4.045 502 HG21 ILE 66 HG21 ILE 66 5.805 -1.611 -2.610 503 HG22 ILE 66 HG22 ILE 66 5.725 -2.571 -1.148 504 HG23 ILE 66 HG23 ILE 66 4.666 -1.229 -1.338 505 HD11 ILE 66 HD11 ILE 66 5.628 -3.175 -4.526 506 HD12 ILE 66 HD12 ILE 66 4.924 -1.822 -5.461 507 HD13 ILE 66 HD13 ILE 66 4.338 -3.479 -5.709 508 H PHE 67 H PHE 67 2.802 -4.973 -0.552 509 HA PHE 67 HA PHE 67 4.745 -4.774 1.292 510 HB2 PHE 67 HB3 PHE 67 1.966 -5.873 1.537 511 HB3 PHE 67 HB2 PHE 67 3.041 -5.521 2.895 512 HD1 PHE 67 HD2 PHE 67 3.988 -3.008 2.863 513 HD2 PHE 67 HD1 PHE 67 0.515 -4.408 0.923 514 HE1 PHE 67 HE2 PHE 67 3.170 -0.658 2.689 515 HE2 PHE 67 HE1 PHE 67 -0.333 -2.072 0.733 516 HZ PHE 67 HZ PHE 67 0.994 -0.229 1.624 517 H GLU 68 H GLU 68 3.764 -7.625 -0.685 518 HA GLU 68 HA GLU 68 4.654 -9.549 1.246 519 HB2 GLU 68 HB3 GLU 68 3.122 -10.065 -0.695 520 HB3 GLU 68 HB2 GLU 68 4.454 -9.660 -1.766 521 HG2 GLU 68 HG3 GLU 68 5.799 -11.442 -0.683 522 HG3 GLU 68 HG2 GLU 68 4.376 -11.915 0.220 523 H ILE 69 H ILE 69 5.878 -8.169 -1.759 524 HA ILE 69 HA ILE 69 8.265 -9.366 -1.685 525 HB ILE 69 HB ILE 69 9.051 -7.808 -3.340 526 HG12 ILE 69 HG13 ILE 69 6.425 -6.387 -2.881 527 HG13 ILE 69 HG12 ILE 69 8.019 -5.724 -2.526 528 HG21 ILE 69 HG21 ILE 69 7.966 -9.290 -4.594 529 HG22 ILE 69 HG22 ILE 69 6.605 -8.154 -4.603 530 HG23 ILE 69 HG23 ILE 69 6.672 -9.429 -3.395 531 HD11 ILE 69 HD11 ILE 69 8.361 -5.164 -4.619 532 HD12 ILE 69 HD12 ILE 69 6.605 -5.460 -4.827 533 HD13 ILE 69 HD13 ILE 69 7.773 -6.761 -5.148 534 H SER 70 H SER 70 7.377 -6.462 -0.123 535 HA SER 70 HA SER 70 10.031 -5.608 0.496 536 HB2 SER 70 HB3 SER 70 8.877 -3.984 1.915 537 HB3 SER 70 HB2 SER 70 8.145 -4.048 0.305 538 HG SER 70 HG SER 70 6.887 -5.838 1.852 539 H ARG 71 H ARG 71 11.038 -5.960 2.473 540 HA ARG 71 HA ARG 71 10.002 -8.134 3.983 541 HB2 ARG 71 HB3 ARG 71 12.653 -6.732 4.286 542 HB3 ARG 71 HB2 ARG 71 12.130 -8.021 5.358 543 HG2 ARG 71 HG3 ARG 71 12.434 -8.233 2.393 544 HG3 ARG 71 HG2 ARG 71 13.574 -8.912 3.583 545 HD2 ARG 71 HD3 ARG 71 11.681 -10.314 4.417 546 HD3 ARG 71 HD2 ARG 71 10.667 -9.669 3.144 547 HE ARG 71 HE ARG 71 11.557 -11.161 1.724 548 HH11 ARG 71 HH11 ARG 71 13.953 -10.987 4.429 549 HH12 ARG 71 HH12 ARG 71 14.957 -12.173 3.764 550 HH21 ARG 71 HH22 ARG 71 13.081 -12.724 0.808 551 HH22 ARG 71 HH21 ARG 71 14.496 -13.128 1.673 552 H ARG 72 H ARG 72 8.153 -6.612 4.375 553 HA ARG 72 HA ARG 72 8.300 -5.750 7.162 554 HB2 ARG 72 HB3 ARG 72 8.698 -3.701 5.621 555 HB3 ARG 72 HB2 ARG 72 7.057 -3.932 5.038 556 HG2 ARG 72 HG3 ARG 72 7.024 -2.243 6.721 557 HG3 ARG 72 HG2 ARG 72 6.265 -3.686 7.396 558 HD2 ARG 72 HD3 ARG 72 8.464 -4.305 8.360 559 HD3 ARG 72 HD2 ARG 72 9.102 -2.756 7.808 560 HE ARG 72 HE ARG 72 6.805 -2.532 9.507 561 HH11 ARG 72 HH11 ARG 72 10.143 -2.026 9.277 562 HH12 ARG 72 HH12 ARG 72 10.546 -2.088 10.942 563 HH21 ARG 72 HH22 ARG 72 7.132 -2.626 11.878 564 HH22 ARG 72 HH21 ARG 72 8.728 -2.441 12.486 565 HA PRO 73 HA PRO 73 4.664 -8.499 5.477 566 HB2 PRO 73 HB2 PRO 73 4.827 -10.280 7.521 567 HB3 PRO 73 HB3 PRO 73 5.696 -10.407 5.976 568 HG2 PRO 73 HG3 PRO 73 6.593 -9.277 8.578 569 HG3 PRO 73 HG2 PRO 73 7.433 -10.455 7.518 570 HD2 PRO 73 HD3 PRO 73 8.148 -7.932 7.481 571 HD3 PRO 73 HD2 PRO 73 7.930 -8.824 5.948 572 H ASP 74 H ASP 74 5.038 -6.751 8.352 573 HA ASP 74 HA ASP 74 2.530 -7.579 9.639 574 HB2 ASP 74 HB3 ASP 74 4.088 -5.012 10.134 575 HB3 ASP 74 HB2 ASP 74 2.631 -5.514 11.005 576 H LEU 75 H LEU 75 3.519 -5.067 7.708 577 HA LEU 75 HA LEU 75 1.016 -3.732 7.479 578 HB2 LEU 75 HB3 LEU 75 3.400 -3.632 5.630 579 HB3 LEU 75 HB2 LEU 75 1.972 -2.677 5.364 580 HG LEU 75 HG LEU 75 2.393 -1.381 7.444 581 HD11 LEU 75 HD11 LEU 75 3.392 -2.623 9.052 582 HD12 LEU 75 HD12 LEU 75 4.820 -1.810 8.390 583 HD13 LEU 75 HD13 LEU 75 4.446 -3.469 7.920 584 HD21 LEU 75 HD21 LEU 75 5.052 -1.345 6.392 585 HD22 LEU 75 HD22 LEU 75 3.830 -0.087 6.414 586 HD23 LEU 75 HD23 LEU 75 3.820 -1.303 5.130 587 H LEU 76 H LEU 76 2.584 -5.848 5.444 588 HA LEU 76 HA LEU 76 0.600 -6.494 3.458 589 HB2 LEU 76 HB3 LEU 76 2.774 -7.753 3.398 590 HB3 LEU 76 HB2 LEU 76 2.108 -8.756 4.734 591 HG LEU 76 HG LEU 76 0.204 -9.101 3.205 592 HD11 LEU 76 HD11 LEU 76 0.351 -7.629 1.628 593 HD12 LEU 76 HD12 LEU 76 0.600 -9.188 0.858 594 HD13 LEU 76 HD13 LEU 76 1.986 -8.110 1.157 595 HD21 LEU 76 HD21 LEU 76 1.026 -11.096 3.353 596 HD22 LEU 76 HD22 LEU 76 2.681 -10.491 3.476 597 HD23 LEU 76 HD23 LEU 76 1.971 -10.787 1.869 598 H THR 77 H THR 77 1.094 -8.097 6.469 599 HA THR 77 HA THR 77 -0.974 -9.788 6.740 600 HB THR 77 HB THR 77 0.137 -7.990 8.844 601 HG1 THR 77 HG1 THR 77 0.682 -10.737 8.359 602 HG21 THR 77 HG21 THR 77 -0.726 -9.747 10.423 603 HG22 THR 77 HG22 THR 77 -1.647 -10.335 8.995 604 HG23 THR 77 HG23 THR 77 -1.894 -8.684 9.570 605 H MET 78 H MET 78 -0.993 -6.456 7.508 606 HA MET 78 HA MET 78 -3.686 -6.268 8.300 607 HB2 MET 78 HB3 MET 78 -1.892 -4.099 7.271 608 HB3 MET 78 HB2 MET 78 -3.489 -3.817 7.928 609 HG2 MET 78 HG3 MET 78 -1.307 -5.218 9.418 610 HG3 MET 78 HG2 MET 78 -1.552 -3.460 9.563 611 HE1 MET 78 HE1 MET 78 -4.647 -6.657 10.497 612 HE2 MET 78 HE2 MET 78 -3.197 -7.087 11.398 613 HE3 MET 78 HE3 MET 78 -3.125 -6.923 9.650 614 H VAL 79 H VAL 79 -2.210 -6.042 5.118 615 HA VAL 79 HA VAL 79 -4.525 -5.189 3.688 616 HB VAL 79 HB VAL 79 -2.004 -6.667 2.837 617 HG11 VAL 79 HG11 VAL 79 -2.671 -6.659 0.748 618 HG12 VAL 79 HG12 VAL 79 -3.054 -4.947 0.836 619 HG13 VAL 79 HG13 VAL 79 -4.269 -6.144 1.310 620 HG21 VAL 79 HG21 VAL 79 -1.266 -4.705 3.787 621 HG22 VAL 79 HG22 VAL 79 -2.586 -3.756 3.083 622 HG23 VAL 79 HG23 VAL 79 -1.307 -4.378 2.033 623 H VAL 80 H VAL 80 -2.862 -8.300 4.153 624 HA VAL 80 HA VAL 80 -4.667 -10.080 2.923 625 HB VAL 80 HB VAL 80 -2.842 -10.489 5.348 626 HG11 VAL 80 HG11 VAL 80 -3.895 -12.658 3.527 627 HG12 VAL 80 HG12 VAL 80 -4.619 -12.222 5.088 628 HG13 VAL 80 HG13 VAL 80 -2.957 -12.825 5.024 629 HG21 VAL 80 HG21 VAL 80 -1.216 -10.167 3.853 630 HG22 VAL 80 HG22 VAL 80 -2.345 -10.274 2.497 631 HG23 VAL 80 HG23 VAL 80 -1.663 -11.745 3.206 632 H ASP 81 H ASP 81 -4.435 -9.282 6.142 633 HA ASP 81 HA ASP 81 -6.799 -10.476 7.085 634 HB2 ASP 81 HB3 ASP 81 -5.365 -8.251 8.508 635 HB3 ASP 81 HB2 ASP 81 -6.939 -8.808 9.109 636 H TYR 82 H TYR 82 -6.426 -7.345 5.935 637 HA TYR 82 HA TYR 82 -9.028 -6.238 6.228 638 HB2 TYR 82 HB3 TYR 82 -7.340 -4.836 5.434 639 HB3 TYR 82 HB2 TYR 82 -6.991 -5.912 4.058 640 HD1 TYR 82 HD2 TYR 82 -9.786 -3.888 5.536 641 HD2 TYR 82 HD1 TYR 82 -7.838 -5.406 2.101 642 HE1 TYR 82 HE2 TYR 82 -11.273 -2.592 4.134 643 HE2 TYR 82 HE1 TYR 82 -9.319 -4.136 0.652 644 HH TYR 82 HH TYR 82 -10.856 -2.329 0.683 645 H ARG 83 H ARG 83 -7.659 -8.051 3.506 646 HA ARG 83 HA ARG 83 -9.863 -8.084 1.899 647 HB2 ARG 83 HB3 ARG 83 -7.844 -8.558 0.890 648 HB3 ARG 83 HB2 ARG 83 -7.337 -9.619 2.159 649 HG2 ARG 83 HG3 ARG 83 -9.496 -10.477 0.338 650 HG3 ARG 83 HG2 ARG 83 -7.779 -10.604 -0.202 651 HD2 ARG 83 HD3 ARG 83 -7.420 -11.868 1.902 652 HD3 ARG 83 HD2 ARG 83 -9.169 -11.856 2.184 653 HE ARG 83 HE ARG 83 -8.515 -12.840 -0.372 654 HH11 ARG 83 HH11 ARG 83 -8.671 -13.827 3.061 655 HH12 ARG 83 HH12 ARG 83 -8.737 -15.494 2.700 656 HH21 ARG 83 HH22 ARG 83 -8.486 -15.193 -0.807 657 HH22 ARG 83 HH21 ARG 83 -8.600 -16.291 0.477 658 H THR 84 H THR 84 -8.873 -10.318 4.098 659 HA THR 84 HA THR 84 -11.004 -12.204 3.901 660 HB THR 84 HB THR 84 -9.289 -11.643 6.253 661 HG1 THR 84 HG1 THR 84 -7.751 -12.460 5.024 662 HG21 THR 84 HG21 THR 84 -9.733 -13.866 6.910 663 HG22 THR 84 HG22 THR 84 -10.667 -14.132 5.409 664 HG23 THR 84 HG23 THR 84 -11.234 -12.942 6.618 665 H ARG 85 H ARG 85 -10.394 -10.216 6.370 666 HA ARG 85 HA ARG 85 -12.609 -10.268 7.962 667 HB2 ARG 85 HB3 ARG 85 -12.126 -8.218 9.186 668 HB3 ARG 85 HB2 ARG 85 -10.611 -8.962 8.727 669 HG2 ARG 85 HG3 ARG 85 -10.537 -7.329 6.783 670 HG3 ARG 85 HG2 ARG 85 -11.919 -6.526 7.520 671 HD2 ARG 85 HD3 ARG 85 -9.211 -6.983 8.642 672 HD3 ARG 85 HD2 ARG 85 -9.949 -5.452 8.097 673 HE ARG 85 HE ARG 85 -11.442 -6.618 10.201 674 HH11 ARG 85 HH11 ARG 85 -8.443 -4.748 9.674 675 HH12 ARG 85 HH12 ARG 85 -8.366 -4.227 11.307 676 HH21 ARG 85 HH22 ARG 85 -11.178 -5.969 12.444 677 HH22 ARG 85 HH21 ARG 85 -9.886 -4.939 12.884 678 H VAL 86 H VAL 86 -12.161 -7.950 5.686 679 HA VAL 86 HA VAL 86 -14.680 -6.764 5.731 680 HB VAL 86 HB VAL 86 -12.676 -6.688 3.501 681 HG11 VAL 86 HG11 VAL 86 -15.433 -5.497 3.679 682 HG12 VAL 86 HG12 VAL 86 -14.551 -6.004 2.239 683 HG13 VAL 86 HG13 VAL 86 -14.170 -4.471 2.999 684 HG21 VAL 86 HG21 VAL 86 -13.145 -5.355 6.000 685 HG22 VAL 86 HG22 VAL 86 -13.051 -4.213 4.653 686 HG23 VAL 86 HG23 VAL 86 -11.738 -5.355 4.937 687 H LEU 87 H LEU 87 -13.483 -9.401 3.910 688 HA LEU 87 HA LEU 87 -15.579 -10.041 2.126 689 HB2 LEU 87 HB3 LEU 87 -13.207 -10.827 2.172 690 HB3 LEU 87 HB2 LEU 87 -13.514 -11.652 3.656 691 HG LEU 87 HG LEU 87 -13.205 -13.185 1.943 692 HD11 LEU 87 HD11 LEU 87 -15.083 -14.598 2.030 693 HD12 LEU 87 HD12 LEU 87 -16.133 -13.235 2.455 694 HD13 LEU 87 HD13 LEU 87 -14.851 -13.757 3.563 695 HD21 LEU 87 HD21 LEU 87 -13.579 -11.818 0.097 696 HD22 LEU 87 HD22 LEU 87 -15.324 -11.779 0.345 697 HD23 LEU 87 HD23 LEU 87 -14.543 -13.305 -0.077 698 H LYS 88 H LYS 88 -14.707 -11.023 5.345 699 HA LYS 88 HA LYS 88 -16.774 -12.711 6.110 700 HB2 LYS 88 HB3 LYS 88 -14.479 -12.416 7.090 701 HB3 LYS 88 HB2 LYS 88 -15.000 -10.923 7.784 702 HG2 LYS 88 HG3 LYS 88 -15.950 -13.676 8.538 703 HG3 LYS 88 HG2 LYS 88 -14.774 -12.696 9.400 704 HD2 LYS 88 HD3 LYS 88 -16.561 -11.034 9.834 705 HD3 LYS 88 HD2 LYS 88 -17.716 -12.118 9.068 706 HE2 LYS 88 HE3 LYS 88 -16.065 -12.713 11.511 707 HE3 LYS 88 HE2 LYS 88 -17.799 -12.419 11.473 708 HZ1 LYS 88 HZ1 LYS 88 -17.949 -14.443 9.975 709 HZ2 LYS 88 HZ2 LYS 88 -17.477 -14.746 11.586 710 HZ3 LYS 88 HZ3 LYS 88 -16.316 -14.738 10.414 711 H ILE 89 H ILE 89 -16.489 -9.186 6.448 712 HA ILE 89 HA ILE 89 -18.747 -8.832 8.087 713 HB ILE 89 HB ILE 89 -17.010 -7.168 6.355 714 HG12 ILE 89 HG13 ILE 89 -17.234 -7.257 9.372 715 HG13 ILE 89 HG12 ILE 89 -15.957 -7.924 8.379 716 HG21 ILE 89 HG21 ILE 89 -18.041 -5.113 7.344 717 HG22 ILE 89 HG22 ILE 89 -19.390 -6.163 7.838 718 HG23 ILE 89 HG23 ILE 89 -18.938 -6.033 6.126 719 HD11 ILE 89 HD11 ILE 89 -16.303 -5.237 9.382 720 HD12 ILE 89 HD12 ILE 89 -16.004 -5.263 7.650 721 HD13 ILE 89 HD13 ILE 89 -14.852 -6.024 8.719 722 H SER 90 H SER 90 -17.972 -8.436 4.673 723 HA SER 90 HA SER 90 -20.713 -7.845 3.979 724 HB2 SER 90 HB3 SER 90 -18.223 -8.193 2.317 725 HB3 SER 90 HB2 SER 90 -19.775 -7.620 1.690 726 HG SER 90 HG SER 90 -17.883 -6.368 3.288 Start of MODEL 11 1 H1 MET 1 H MET 1 -16.045 1.770 1.854 2 H2 MET 1 H2 MET 1 -15.630 0.782 0.538 3 H3 MET 1 H3 MET 1 -14.939 0.515 2.034 4 HA MET 1 HA MET 1 -13.438 1.648 0.429 5 HB2 MET 1 HB3 MET 1 -15.244 4.016 1.042 6 HB3 MET 1 HB2 MET 1 -13.725 4.080 0.173 7 HG2 MET 1 HG3 MET 1 -14.732 2.701 -1.609 8 HG3 MET 1 HG2 MET 1 -16.277 2.801 -0.759 9 HE1 MET 1 HE1 MET 1 -17.088 5.027 0.170 10 HE2 MET 1 HE2 MET 1 -17.472 6.293 -0.996 11 HE3 MET 1 HE3 MET 1 -16.027 6.426 0.005 12 H ALA 2 H ALA 2 -15.159 2.874 3.120 13 HA ALA 2 HA ALA 2 -13.032 4.316 4.317 14 HB1 ALA 2 HB1 ALA 2 -15.645 3.404 5.388 15 HB2 ALA 2 HB2 ALA 2 -14.915 5.016 5.444 16 HB3 ALA 2 HB3 ALA 2 -14.417 3.783 6.597 17 H GLU 3 H GLU 3 -14.090 1.222 5.453 18 HA GLU 3 HA GLU 3 -12.194 0.483 7.130 19 HB2 GLU 3 HB3 GLU 3 -13.235 -1.165 4.835 20 HB3 GLU 3 HB2 GLU 3 -12.512 -1.836 6.283 21 HG2 GLU 3 HG3 GLU 3 -14.209 -1.130 7.624 22 HG3 GLU 3 HG2 GLU 3 -14.887 -0.013 6.450 23 H TYR 4 H TYR 4 -12.059 0.270 3.918 24 HA TYR 4 HA TYR 4 -9.379 -0.637 3.416 25 HB2 TYR 4 HB3 TYR 4 -10.923 -0.555 1.521 26 HB3 TYR 4 HB2 TYR 4 -10.751 1.207 1.400 27 HD1 TYR 4 HD2 TYR 4 -8.551 -1.817 1.643 28 HD2 TYR 4 HD1 TYR 4 -9.328 1.853 -0.399 29 HE1 TYR 4 HE2 TYR 4 -6.693 -2.280 0.119 30 HE2 TYR 4 HE1 TYR 4 -7.507 1.377 -1.919 31 HH TYR 4 HH TYR 4 -6.261 -0.682 -2.770 32 H GLY 5 H GLY 5 -10.747 2.465 3.473 33 HA2 GLY 5 HA3 GLY 5 -8.569 4.268 3.220 34 HA3 GLY 5 HA2 GLY 5 -9.978 4.669 4.193 35 H THR 6 H THR 6 -9.822 2.819 6.311 36 HA THR 6 HA THR 6 -7.712 3.778 7.928 37 HB THR 6 HB THR 6 -9.526 1.395 8.206 38 HG1 THR 6 HG1 THR 6 -9.825 4.157 8.760 39 HG21 THR 6 HG21 THR 6 -8.223 3.151 10.241 40 HG22 THR 6 HG22 THR 6 -7.644 1.553 9.733 41 HG23 THR 6 HG23 THR 6 -9.216 1.704 10.550 42 H LEU 7 H LEU 7 -8.340 0.787 6.365 43 HA LEU 7 HA LEU 7 -6.119 -0.817 6.986 44 HB2 LEU 7 HB3 LEU 7 -7.610 -1.717 5.350 45 HB3 LEU 7 HB2 LEU 7 -7.129 -0.498 4.173 46 HG LEU 7 HG LEU 7 -4.851 -1.393 4.250 47 HD11 LEU 7 HD11 LEU 7 -4.702 -3.816 5.051 48 HD12 LEU 7 HD12 LEU 7 -6.078 -3.366 6.063 49 HD13 LEU 7 HD13 LEU 7 -4.562 -2.479 6.190 50 HD21 LEU 7 HD21 LEU 7 -7.134 -2.361 2.949 51 HD22 LEU 7 HD22 LEU 7 -6.097 -3.755 3.266 52 HD23 LEU 7 HD23 LEU 7 -5.469 -2.376 2.369 53 H LEU 8 H LEU 8 -6.146 1.323 4.455 54 HA LEU 8 HA LEU 8 -3.364 1.431 3.740 55 HB2 LEU 8 HB3 LEU 8 -5.393 3.642 3.387 56 HB3 LEU 8 HB2 LEU 8 -3.682 3.817 2.968 57 HG LEU 8 HG LEU 8 -3.891 2.207 1.192 58 HD11 LEU 8 HD11 LEU 8 -6.773 1.806 1.732 59 HD12 LEU 8 HD12 LEU 8 -5.560 0.806 2.534 60 HD13 LEU 8 HD13 LEU 8 -5.656 0.840 0.769 61 HD21 LEU 8 HD21 LEU 8 -6.368 3.439 0.452 62 HD22 LEU 8 HD22 LEU 8 -4.730 3.731 -0.135 63 HD23 LEU 8 HD23 LEU 8 -5.320 4.594 1.279 64 H GLN 9 H GLN 9 -5.110 3.168 6.051 65 HA GLN 9 HA GLN 9 -3.040 4.761 7.125 66 HB2 GLN 9 HB3 GLN 9 -5.165 5.670 7.024 67 HB3 GLN 9 HB2 GLN 9 -5.901 4.197 7.620 68 HG2 GLN 9 HG3 GLN 9 -5.473 4.530 9.570 69 HG3 GLN 9 HG2 GLN 9 -4.115 5.731 9.414 70 HE21 GLN 9 HE22 GLN 9 -4.722 7.817 9.200 71 HE22 GLN 9 HE21 GLN 9 -6.357 8.395 9.353 72 H ASP 10 H ASP 10 -4.124 1.751 7.647 73 HA ASP 10 HA ASP 10 -3.322 1.242 10.427 74 HB2 ASP 10 HB3 ASP 10 -4.222 -0.704 8.295 75 HB3 ASP 10 HB2 ASP 10 -3.587 -1.255 9.834 76 H LEU 11 H LEU 11 -2.086 0.624 7.193 77 HA LEU 11 HA LEU 11 0.303 -0.421 8.259 78 HB2 LEU 11 HB3 LEU 11 0.999 -0.701 6.004 79 HB3 LEU 11 HB2 LEU 11 -0.476 -1.604 6.374 80 HG LEU 11 HG LEU 11 -1.493 0.557 5.301 81 HD11 LEU 11 HD11 LEU 11 -0.180 1.870 4.159 82 HD12 LEU 11 HD12 LEU 11 0.710 0.536 3.420 83 HD13 LEU 11 HD13 LEU 11 1.124 1.096 5.046 84 HD21 LEU 11 HD21 LEU 11 -1.938 -0.704 3.401 85 HD22 LEU 11 HD22 LEU 11 -1.579 -1.921 4.630 86 HD23 LEU 11 HD23 LEU 11 -0.358 -1.496 3.434 87 H THR 12 H THR 12 -0.948 2.440 7.078 88 HA THR 12 HA THR 12 1.408 3.988 6.633 89 HB THR 12 HB THR 12 -1.457 4.710 7.110 90 HG1 THR 12 HG1 THR 12 -1.163 3.929 5.129 91 HG21 THR 12 HG21 THR 12 -0.223 6.772 5.879 92 HG22 THR 12 HG22 THR 12 0.756 6.434 7.355 93 HG23 THR 12 HG23 THR 12 -1.025 6.713 7.487 94 H ASN 13 H ASN 13 -0.565 3.374 9.481 95 HA ASN 13 HA ASN 13 0.880 5.133 11.231 96 HB2 ASN 13 HB3 ASN 13 -0.782 2.695 11.968 97 HB3 ASN 13 HB2 ASN 13 -0.001 3.728 13.157 98 HD21 ASN 13 HD22 ASN 13 -2.851 3.057 11.905 99 HD22 ASN 13 HD21 ASN 13 -3.641 4.579 11.996 100 H ASN 14 H ASN 14 1.425 1.975 10.088 101 HA ASN 14 HA ASN 14 3.727 1.597 11.845 102 HB2 ASN 14 HB3 ASN 14 2.443 -0.245 9.805 103 HB3 ASN 14 HB2 ASN 14 3.902 -0.632 10.697 104 HD21 ASN 14 HD22 ASN 14 0.519 -0.779 10.802 105 HD22 ASN 14 HD21 ASN 14 0.395 -1.195 12.469 106 H ILE 15 H ILE 15 3.144 3.174 9.087 107 HA ILE 15 HA ILE 15 5.487 2.366 7.714 108 HB ILE 15 HB ILE 15 3.291 4.264 7.048 109 HG12 ILE 15 HG13 ILE 15 3.190 1.933 6.450 110 HG13 ILE 15 HG12 ILE 15 3.205 2.986 5.020 111 HG21 ILE 15 HG21 ILE 15 5.778 4.237 5.409 112 HG22 ILE 15 HG22 ILE 15 5.351 5.535 6.545 113 HG23 ILE 15 HG23 ILE 15 4.288 5.156 5.164 114 HD11 ILE 15 HD11 ILE 15 4.885 0.826 5.501 115 HD12 ILE 15 HD12 ILE 15 5.889 2.254 5.784 116 HD13 ILE 15 HD13 ILE 15 5.040 2.077 4.258 117 H THR 16 H THR 16 7.328 2.963 8.340 118 HA THR 16 HA THR 16 7.807 5.561 9.432 119 HB THR 16 HB THR 16 10.069 4.830 9.698 120 HG1 THR 16 HG1 THR 16 9.543 2.178 9.073 121 HG21 THR 16 HG21 THR 16 8.470 2.563 10.620 122 HG22 THR 16 HG22 THR 16 8.194 4.204 11.247 123 HG23 THR 16 HG23 THR 16 9.813 3.445 11.432 124 H LEU 17 H LEU 17 9.202 6.631 8.383 125 HA LEU 17 HA LEU 17 9.101 6.919 5.516 126 HB2 LEU 17 HB3 LEU 17 11.437 7.743 7.228 127 HB3 LEU 17 HB2 LEU 17 11.376 8.035 5.512 128 HG LEU 17 HG LEU 17 9.449 9.222 7.514 129 HD11 LEU 17 HD11 LEU 17 11.674 10.162 7.726 130 HD12 LEU 17 HD12 LEU 17 10.616 11.305 6.893 131 HD13 LEU 17 HD13 LEU 17 11.784 10.374 5.974 132 HD21 LEU 17 HD21 LEU 17 8.196 9.281 5.689 133 HD22 LEU 17 HD22 LEU 17 9.553 8.980 4.606 134 HD23 LEU 17 HD23 LEU 17 9.263 10.609 5.228 135 H GLU 18 H GLU 18 11.501 5.249 7.441 136 HA GLU 18 HA GLU 18 13.017 4.226 5.340 137 HB2 GLU 18 HB3 GLU 18 12.623 3.028 8.083 138 HB3 GLU 18 HB2 GLU 18 13.953 2.678 6.971 139 HG2 GLU 18 HG3 GLU 18 14.715 4.953 7.076 140 HG3 GLU 18 HG2 GLU 18 13.367 5.414 8.113 141 H ASP 19 H ASP 19 10.595 2.617 7.146 142 HA ASP 19 HA ASP 19 10.446 0.197 5.614 143 HB2 ASP 19 HB3 ASP 19 8.194 1.491 7.234 144 HB3 ASP 19 HB2 ASP 19 8.015 -0.114 6.486 145 H LEU 20 H LEU 20 8.333 2.994 5.201 146 HA LEU 20 HA LEU 20 7.256 2.265 2.762 147 HB2 LEU 20 HB3 LEU 20 6.936 4.562 4.078 148 HB3 LEU 20 HB2 LEU 20 8.271 4.961 2.968 149 HG LEU 20 HG LEU 20 7.088 4.467 1.064 150 HD11 LEU 20 HD11 LEU 20 4.415 4.188 2.158 151 HD12 LEU 20 HD12 LEU 20 5.472 2.844 2.590 152 HD13 LEU 20 HD13 LEU 20 5.222 3.241 0.908 153 HD21 LEU 20 HD21 LEU 20 5.540 6.245 2.929 154 HD22 LEU 20 HD22 LEU 20 5.392 6.237 1.176 155 HD23 LEU 20 HD23 LEU 20 6.925 6.701 1.928 156 H GLU 21 H GLU 21 10.387 3.727 3.259 157 HA GLU 21 HA GLU 21 11.135 4.128 0.603 158 HB2 GLU 21 HB3 GLU 21 12.939 3.292 2.904 159 HB3 GLU 21 HB2 GLU 21 13.526 3.766 1.324 160 HG2 GLU 21 HG3 GLU 21 11.825 5.467 3.081 161 HG3 GLU 21 HG2 GLU 21 13.603 5.574 3.068 162 H GLN 22 H GLN 22 11.194 1.517 2.597 163 HA GLN 22 HA GLN 22 12.554 -0.351 0.934 164 HB2 GLN 22 HB3 GLN 22 12.304 -0.692 3.414 165 HB3 GLN 22 HB2 GLN 22 10.614 -1.102 3.106 166 HG2 GLN 22 HG3 GLN 22 11.784 -3.192 3.213 167 HG3 GLN 22 HG2 GLN 22 11.388 -2.761 1.540 168 HE21 GLN 22 HE22 GLN 22 12.689 -3.010 0.220 169 HE22 GLN 22 HE21 GLN 22 14.431 -2.944 0.321 170 H LEU 23 H LEU 23 8.989 0.199 1.491 171 HA LEU 23 HA LEU 23 8.061 -1.627 -0.348 172 HB2 LEU 23 HB3 LEU 23 7.042 1.060 0.570 173 HB3 LEU 23 HB2 LEU 23 6.099 -0.112 -0.345 174 HG LEU 23 HG LEU 23 7.206 -0.530 2.419 175 HD11 LEU 23 HD11 LEU 23 4.832 -0.349 3.073 176 HD12 LEU 23 HD12 LEU 23 4.464 0.186 1.427 177 HD13 LEU 23 HD13 LEU 23 5.507 1.151 2.458 178 HD21 LEU 23 HD21 LEU 23 5.015 -2.210 1.527 179 HD22 LEU 23 HD22 LEU 23 6.549 -2.655 2.274 180 HD23 LEU 23 HD23 LEU 23 6.456 -2.397 0.532 181 H LYS 24 H LYS 24 8.982 1.562 -0.553 182 HA LYS 24 HA LYS 24 8.374 1.970 -3.314 183 HB2 LYS 24 HB3 LYS 24 10.522 3.574 -1.869 184 HB3 LYS 24 HB2 LYS 24 9.841 3.997 -3.419 185 HG2 LYS 24 HG3 LYS 24 7.558 3.984 -2.139 186 HG3 LYS 24 HG2 LYS 24 8.576 4.215 -0.692 187 HD2 LYS 24 HD3 LYS 24 8.553 5.938 -3.178 188 HD3 LYS 24 HD2 LYS 24 7.837 6.327 -1.617 189 HE2 LYS 24 HE3 LYS 24 10.785 5.926 -2.088 190 HE3 LYS 24 HE2 LYS 24 9.958 7.472 -2.072 191 HZ1 LYS 24 HZ1 LYS 24 11.071 6.277 -0.015 192 HZ2 LYS 24 HZ2 LYS 24 9.469 5.848 0.274 193 HZ3 LYS 24 HZ3 LYS 24 9.936 7.485 0.157 194 H SER 25 H SER 25 10.987 1.163 -1.908 195 HA SER 25 HA SER 25 12.972 0.533 -3.917 196 HB2 SER 25 HB3 SER 25 12.790 -1.120 -1.332 197 HB3 SER 25 HB2 SER 25 14.146 -1.187 -2.456 198 HG SER 25 HG SER 25 13.252 1.159 -1.106 199 H ALA 26 H ALA 26 10.743 -1.449 -2.494 200 HA ALA 26 HA ALA 26 10.842 -3.688 -4.262 201 HB1 ALA 26 HB1 ALA 26 9.481 -4.409 -2.609 202 HB2 ALA 26 HB2 ALA 26 8.189 -3.567 -3.471 203 HB3 ALA 26 HB3 ALA 26 9.044 -2.760 -2.159 204 H CYS 27 H CYS 27 8.730 -0.796 -4.239 205 HA CYS 27 HA CYS 27 7.433 -1.363 -6.666 206 HB2 CYS 27 HB3 CYS 27 7.720 1.333 -5.403 207 HB3 CYS 27 HB2 CYS 27 6.574 0.728 -6.613 208 HG CYS 27 HG CYS 27 6.754 -0.401 -3.408 209 H LYS 28 H LYS 28 10.590 -0.476 -6.426 210 HA LYS 28 HA LYS 28 11.136 1.780 -7.662 211 HB2 LYS 28 HB3 LYS 28 13.247 0.689 -8.559 212 HB3 LYS 28 HB2 LYS 28 12.870 0.265 -6.890 213 HG2 LYS 28 HG3 LYS 28 11.929 -1.877 -7.614 214 HG3 LYS 28 HG2 LYS 28 12.108 -1.410 -9.274 215 HD2 LYS 28 HD3 LYS 28 14.559 -1.507 -9.039 216 HD3 LYS 28 HD2 LYS 28 14.350 -2.012 -7.347 217 HE2 LYS 28 HE3 LYS 28 13.115 -3.962 -8.027 218 HE3 LYS 28 HE2 LYS 28 13.186 -3.454 -9.717 219 HZ1 LYS 28 HZ1 LYS 28 15.800 -3.833 -8.450 220 HZ2 LYS 28 HZ2 LYS 28 15.200 -4.281 -9.952 221 HZ3 LYS 28 HZ3 LYS 28 14.860 -5.212 -8.631 222 H GLU 29 H GLU 29 10.303 -1.125 -9.429 223 HA GLU 29 HA GLU 29 10.623 -0.012 -12.009 224 HB2 GLU 29 HB3 GLU 29 9.395 -2.573 -11.068 225 HB3 GLU 29 HB2 GLU 29 9.697 -2.167 -12.761 226 HG2 GLU 29 HG3 GLU 29 12.063 -1.985 -12.339 227 HG3 GLU 29 HG2 GLU 29 11.812 -2.249 -10.622 228 H ASP 30 H ASP 30 7.805 -0.558 -9.956 229 HA ASP 30 HA ASP 30 6.045 0.104 -12.127 230 HB2 ASP 30 HB3 ASP 30 5.461 -0.706 -9.306 231 HB3 ASP 30 HB2 ASP 30 4.207 -0.227 -10.435 232 H ILE 31 H ILE 31 6.914 1.741 -9.131 233 HA ILE 31 HA ILE 31 5.015 3.791 -9.883 234 HB ILE 31 HB ILE 31 5.177 2.812 -7.544 235 HG12 ILE 31 HG13 ILE 31 4.124 4.988 -7.838 236 HG13 ILE 31 HG12 ILE 31 4.879 4.778 -6.243 237 HG21 ILE 31 HG21 ILE 31 7.741 4.245 -7.481 238 HG22 ILE 31 HG22 ILE 31 7.362 2.519 -7.130 239 HG23 ILE 31 HG23 ILE 31 6.775 3.825 -6.050 240 HD11 ILE 31 HD11 ILE 31 5.093 6.987 -7.834 241 HD12 ILE 31 HD12 ILE 31 6.535 6.042 -8.261 242 HD13 ILE 31 HD13 ILE 31 6.214 6.517 -6.563 243 HA PRO 32 HA PRO 32 8.046 5.836 -12.014 244 HB2 PRO 32 HB2 PRO 32 6.685 8.423 -11.394 245 HB3 PRO 32 HB3 PRO 32 7.112 7.737 -12.969 246 HG2 PRO 32 HG3 PRO 32 4.595 7.658 -12.117 247 HG3 PRO 32 HG2 PRO 32 5.329 6.311 -12.999 248 HD2 PRO 32 HD3 PRO 32 4.861 6.642 -10.101 249 HD3 PRO 32 HD2 PRO 32 4.576 5.188 -11.108 250 H SER 33 H SER 33 9.812 6.640 -11.645 251 HA SER 33 HA SER 33 11.037 7.003 -9.108 252 HB2 SER 33 HB3 SER 33 12.408 6.602 -11.147 253 HB3 SER 33 HB2 SER 33 12.201 8.260 -11.662 254 HG SER 33 HG SER 33 13.182 8.571 -9.296 255 H GLU 34 H GLU 34 10.197 9.451 -11.348 256 HA GLU 34 HA GLU 34 10.461 11.984 -10.094 257 HB2 GLU 34 HB3 GLU 34 9.469 11.678 -12.330 258 HB3 GLU 34 HB2 GLU 34 7.979 11.115 -11.602 259 HG2 GLU 34 HG3 GLU 34 7.655 13.398 -12.206 260 HG3 GLU 34 HG2 GLU 34 7.824 13.204 -10.444 261 H LYS 35 H LYS 35 7.921 9.930 -9.782 262 HA LYS 35 HA LYS 35 6.650 11.329 -7.625 263 HB2 LYS 35 HB3 LYS 35 5.903 8.846 -9.091 264 HB3 LYS 35 HB2 LYS 35 4.989 9.357 -7.658 265 HG2 LYS 35 HG3 LYS 35 5.614 11.205 -9.914 266 HG3 LYS 35 HG2 LYS 35 4.164 10.170 -9.858 267 HD2 LYS 35 HD3 LYS 35 3.374 11.138 -7.913 268 HD3 LYS 35 HD2 LYS 35 4.917 11.850 -7.482 269 HE2 LYS 35 HE3 LYS 35 3.241 12.792 -9.820 270 HE3 LYS 35 HE2 LYS 35 3.134 13.491 -8.209 271 HZ1 LYS 35 HZ1 LYS 35 5.356 14.074 -8.249 272 HZ2 LYS 35 HZ2 LYS 35 4.668 14.755 -9.596 273 HZ3 LYS 35 HZ3 LYS 35 5.676 13.404 -9.754 274 H SER 36 H SER 36 8.219 8.138 -7.630 275 HA SER 36 HA SER 36 8.035 7.613 -4.980 276 HB2 SER 36 HB3 SER 36 8.865 6.081 -6.636 277 HB3 SER 36 HB2 SER 36 10.327 7.044 -6.889 278 HG SER 36 HG SER 36 11.102 5.775 -5.432 279 H GLU 37 H GLU 37 9.903 9.883 -6.492 280 HA GLU 37 HA GLU 37 11.990 10.442 -4.722 281 HB2 GLU 37 HB3 GLU 37 10.495 12.577 -6.265 282 HB3 GLU 37 HB2 GLU 37 12.020 12.826 -5.450 283 HG2 GLU 37 HG3 GLU 37 11.531 10.839 -7.581 284 HG3 GLU 37 HG2 GLU 37 12.137 12.470 -7.954 285 H GLU 38 H GLU 38 8.771 12.189 -4.807 286 HA GLU 38 HA GLU 38 9.201 13.414 -2.379 287 HB2 GLU 38 HB3 GLU 38 7.094 14.400 -2.968 288 HB3 GLU 38 HB2 GLU 38 8.270 14.454 -4.283 289 HG2 GLU 38 HG3 GLU 38 7.091 12.464 -5.289 290 HG3 GLU 38 HG2 GLU 38 5.881 12.614 -4.054 291 H ILE 39 H ILE 39 8.531 10.346 -2.541 292 HA ILE 39 HA ILE 39 6.056 10.393 -1.124 293 HB ILE 39 HB ILE 39 7.606 8.045 -2.156 294 HG12 ILE 39 HG13 ILE 39 4.877 9.101 -2.906 295 HG13 ILE 39 HG12 ILE 39 6.365 9.473 -3.813 296 HG21 ILE 39 HG21 ILE 39 6.413 7.313 -0.122 297 HG22 ILE 39 HG22 ILE 39 5.602 6.720 -1.577 298 HG23 ILE 39 HG23 ILE 39 4.950 8.130 -0.710 299 HD11 ILE 39 HD11 ILE 39 4.589 7.624 -4.326 300 HD12 ILE 39 HD12 ILE 39 5.682 6.681 -3.305 301 HD13 ILE 39 HD13 ILE 39 6.300 7.526 -4.761 302 H THR 40 H THR 40 7.103 11.666 0.523 303 HA THR 40 HA THR 40 8.455 10.174 2.598 304 HB THR 40 HB THR 40 9.360 12.311 2.233 305 HG1 THR 40 HG1 THR 40 8.006 12.067 4.597 306 HG21 THR 40 HG21 THR 40 8.151 13.934 1.290 307 HG22 THR 40 HG22 THR 40 7.294 14.182 2.822 308 HG23 THR 40 HG23 THR 40 6.681 13.034 1.629 309 H THR 41 H THR 41 5.597 9.591 2.068 310 HA THR 41 HA THR 41 5.025 8.985 4.648 311 HB THR 41 HB THR 41 4.259 11.166 4.997 312 HG1 THR 41 HG1 THR 41 2.882 10.202 6.247 313 HG21 THR 41 HG21 THR 41 2.882 10.846 2.482 314 HG22 THR 41 HG22 THR 41 3.420 12.317 3.282 315 HG23 THR 41 HG23 THR 41 1.858 11.612 3.700 316 H GLY 42 H GLY 42 3.335 7.667 4.982 317 HA2 GLY 42 HA3 GLY 42 3.149 5.773 2.866 318 HA3 GLY 42 HA2 GLY 42 2.179 5.655 4.351 319 H SER 43 H SER 43 0.466 7.956 4.286 320 HA SER 43 HA SER 43 -1.422 7.409 2.598 321 HB2 SER 43 HB3 SER 43 -0.545 10.063 3.777 322 HB3 SER 43 HB2 SER 43 -2.171 9.639 3.233 323 HG SER 43 HG SER 43 -2.487 8.703 5.073 324 H ALA 44 H ALA 44 1.219 9.506 2.195 325 HA ALA 44 HA ALA 44 0.582 10.951 -0.176 326 HB1 ALA 44 HB1 ALA 44 3.001 10.662 1.213 327 HB2 ALA 44 HB2 ALA 44 2.659 11.780 -0.103 328 HB3 ALA 44 HB3 ALA 44 3.358 10.202 -0.455 329 H TRP 45 H TRP 45 2.303 7.906 0.036 330 HA TRP 45 HA TRP 45 2.377 7.424 -2.723 331 HB2 TRP 45 HB3 TRP 45 3.847 6.372 -1.005 332 HB3 TRP 45 HB2 TRP 45 2.434 5.500 -0.440 333 HD1 TRP 45 HD1 TRP 45 3.782 5.915 -4.089 334 HE1 TRP 45 HE1 TRP 45 3.867 3.466 -5.051 335 HE3 TRP 45 HE3 TRP 45 2.328 3.259 0.009 336 HZ2 TRP 45 HZ2 TRP 45 3.454 0.955 -4.258 337 HZ3 TRP 45 HZ3 TRP 45 2.204 0.836 -0.173 338 HH2 TRP 45 HH2 TRP 45 2.788 -0.286 -2.327 339 H PHE 46 H PHE 46 -0.108 6.407 -0.291 340 HA PHE 46 HA PHE 46 -1.396 4.853 -2.214 341 HB2 PHE 46 HB3 PHE 46 -2.480 6.270 0.225 342 HB3 PHE 46 HB2 PHE 46 -3.403 5.167 -0.783 343 HD1 PHE 46 HD1 PHE 46 -2.180 2.911 -1.235 344 HD2 PHE 46 HD2 PHE 46 -1.555 5.391 2.197 345 HE1 PHE 46 HE1 PHE 46 -1.532 0.955 0.042 346 HE2 PHE 46 HE2 PHE 46 -0.912 3.403 3.499 347 HZ PHE 46 HZ PHE 46 -0.891 1.169 2.369 348 H SER 47 H SER 47 -1.702 7.946 -1.087 349 HA SER 47 HA SER 47 -3.736 8.998 -2.779 350 HB2 SER 47 HB3 SER 47 -1.516 10.623 -1.536 351 HB3 SER 47 HB2 SER 47 -2.979 11.308 -2.247 352 HG SER 47 HG SER 47 -3.515 11.138 -0.122 353 H PHE 48 H PHE 48 -0.330 8.670 -3.518 354 HA PHE 48 HA PHE 48 -0.453 10.030 -6.029 355 HB2 PHE 48 HB3 PHE 48 1.728 9.595 -5.080 356 HB3 PHE 48 HB2 PHE 48 1.323 7.880 -4.887 357 HD1 PHE 48 HD1 PHE 48 1.337 10.403 -7.696 358 HD2 PHE 48 HD2 PHE 48 2.121 6.485 -6.334 359 HE1 PHE 48 HE1 PHE 48 1.992 9.779 -9.922 360 HE2 PHE 48 HE2 PHE 48 2.832 5.839 -8.657 361 HZ PHE 48 HZ PHE 48 2.762 7.514 -10.418 362 H LEU 49 H LEU 49 -0.414 6.591 -4.993 363 HA LEU 49 HA LEU 49 -0.645 5.375 -7.304 364 HB2 LEU 49 HB3 LEU 49 -0.374 4.817 -4.790 365 HB3 LEU 49 HB2 LEU 49 -2.105 4.456 -4.921 366 HG LEU 49 HG LEU 49 -1.500 2.391 -6.375 367 HD11 LEU 49 HD11 LEU 49 1.110 2.259 -6.446 368 HD12 LEU 49 HD12 LEU 49 0.952 4.015 -6.517 369 HD13 LEU 49 HD13 LEU 49 0.170 3.014 -7.736 370 HD21 LEU 49 HD21 LEU 49 -0.769 1.260 -4.590 371 HD22 LEU 49 HD22 LEU 49 -0.868 2.776 -3.708 372 HD23 LEU 49 HD23 LEU 49 0.651 2.282 -4.425 373 H GLU 50 H GLU 50 -3.144 6.073 -5.057 374 HA GLU 50 HA GLU 50 -5.689 5.782 -6.346 375 HB2 GLU 50 HB3 GLU 50 -4.905 7.784 -4.266 376 HB3 GLU 50 HB2 GLU 50 -6.476 7.966 -5.011 377 HG2 GLU 50 HG3 GLU 50 -5.595 5.433 -3.662 378 HG3 GLU 50 HG2 GLU 50 -6.368 6.761 -2.793 379 H SER 51 H SER 51 -3.826 8.383 -6.345 380 HA SER 51 HA SER 51 -5.232 10.166 -8.126 381 HB2 SER 51 HB3 SER 51 -2.209 10.108 -7.942 382 HB3 SER 51 HB2 SER 51 -3.106 11.337 -8.837 383 HG SER 51 HG SER 51 -3.267 10.751 -6.079 384 H HIS 52 H HIS 52 -3.241 7.432 -8.861 385 HA HIS 52 HA HIS 52 -3.881 7.763 -11.702 386 HB2 HIS 52 HB3 HIS 52 -1.657 6.188 -10.443 387 HB3 HIS 52 HB2 HIS 52 -2.033 6.010 -12.176 388 HD1 HIS 52 HD1 HIS 52 0.298 7.003 -12.936 389 HD2 HIS 52 HD2 HIS 52 -1.745 9.135 -10.098 390 HE1 HIS 52 HE1 HIS 52 1.607 9.132 -12.712 391 H ASN 53 H ASN 53 -3.971 5.439 -12.754 392 HA ASN 53 HA ASN 53 -6.133 4.168 -11.302 393 HB2 ASN 53 HB3 ASN 53 -5.150 3.814 -14.142 394 HB3 ASN 53 HB2 ASN 53 -6.460 2.862 -13.437 395 HD21 ASN 53 HD22 ASN 53 -5.811 5.528 -15.321 396 HD22 ASN 53 HD21 ASN 53 -7.275 6.382 -15.036 397 H LYS 54 H LYS 54 -3.806 3.832 -10.021 398 HA LYS 54 HA LYS 54 -2.999 1.083 -10.689 399 HB2 LYS 54 HB3 LYS 54 -1.509 2.848 -8.747 400 HB3 LYS 54 HB2 LYS 54 -1.037 1.255 -9.296 401 HG2 LYS 54 HG3 LYS 54 -0.899 3.865 -10.853 402 HG3 LYS 54 HG2 LYS 54 0.342 2.713 -10.352 403 HD2 LYS 54 HD3 LYS 54 -1.756 2.003 -12.383 404 HD3 LYS 54 HD2 LYS 54 -0.172 2.654 -12.777 405 HE2 LYS 54 HE3 LYS 54 0.882 0.775 -11.701 406 HE3 LYS 54 HE2 LYS 54 -0.699 0.105 -11.271 407 HZ1 LYS 54 HZ1 LYS 54 0.601 0.286 -13.920 408 HZ2 LYS 54 HZ2 LYS 54 -1.089 0.202 -13.834 409 HZ3 LYS 54 HZ3 LYS 54 -0.104 -1.010 -13.166 410 H LEU 55 H LEU 55 -4.831 2.877 -8.439 411 HA LEU 55 HA LEU 55 -5.432 0.474 -7.002 412 HB2 LEU 55 HB3 LEU 55 -3.367 0.968 -5.847 413 HB3 LEU 55 HB2 LEU 55 -3.791 2.640 -5.637 414 HG LEU 55 HG LEU 55 -5.246 0.384 -4.136 415 HD11 LEU 55 HD11 LEU 55 -3.376 0.157 -2.934 416 HD12 LEU 55 HD12 LEU 55 -3.666 1.772 -2.323 417 HD13 LEU 55 HD13 LEU 55 -2.604 1.533 -3.710 418 HD21 LEU 55 HD21 LEU 55 -6.359 1.981 -3.051 419 HD22 LEU 55 HD22 LEU 55 -5.884 3.041 -4.379 420 HD23 LEU 55 HD23 LEU 55 -4.930 3.011 -2.899 421 H ASP 56 H ASP 56 -7.324 0.555 -7.046 422 HA ASP 56 HA ASP 56 -9.100 2.752 -6.477 423 HB2 ASP 56 HB3 ASP 56 -9.668 -0.179 -6.844 424 HB3 ASP 56 HB2 ASP 56 -10.870 0.979 -6.366 425 H LYS 57 H LYS 57 -10.645 2.568 -4.949 426 HA LYS 57 HA LYS 57 -9.990 2.144 -2.205 427 HB2 LYS 57 HB3 LYS 57 -12.335 2.377 -1.733 428 HB3 LYS 57 HB2 LYS 57 -12.013 3.456 -3.082 429 HG2 LYS 57 HG3 LYS 57 -13.119 0.697 -3.297 430 HG3 LYS 57 HG2 LYS 57 -14.133 2.159 -3.327 431 HD2 LYS 57 HD3 LYS 57 -12.907 2.867 -5.329 432 HD3 LYS 57 HD2 LYS 57 -11.939 1.387 -5.097 433 HE2 LYS 57 HE3 LYS 57 -13.677 1.191 -6.960 434 HE3 LYS 57 HE2 LYS 57 -13.708 -0.034 -5.688 435 HZ1 LYS 57 HZ1 LYS 57 -15.872 0.898 -6.473 436 HZ2 LYS 57 HZ2 LYS 57 -15.563 2.303 -5.584 437 HZ3 LYS 57 HZ3 LYS 57 -15.624 0.781 -4.834 438 H ASP 58 H ASP 58 -10.801 0.000 -4.797 439 HA ASP 58 HA ASP 58 -11.883 -2.173 -3.182 440 HB2 ASP 58 HB3 ASP 58 -13.018 -1.277 -5.171 441 HB3 ASP 58 HB2 ASP 58 -11.602 -1.622 -6.130 442 H ASN 59 H ASN 59 -9.511 -1.355 -5.506 443 HA ASN 59 HA ASN 59 -8.353 -3.993 -5.457 444 HB2 ASN 59 HB3 ASN 59 -7.803 -1.586 -7.134 445 HB3 ASN 59 HB2 ASN 59 -6.964 -3.139 -7.333 446 HD21 ASN 59 HD22 ASN 59 -9.736 -1.345 -8.211 447 HD22 ASN 59 HD21 ASN 59 -10.619 -2.650 -8.826 448 H LEU 60 H LEU 60 -6.949 -4.633 -4.332 449 HA LEU 60 HA LEU 60 -5.040 -2.881 -2.987 450 HB2 LEU 60 HB3 LEU 60 -4.786 -4.559 -1.238 451 HB3 LEU 60 HB2 LEU 60 -6.439 -4.022 -1.404 452 HG LEU 60 HG LEU 60 -5.319 -6.692 -2.316 453 HD11 LEU 60 HD11 LEU 60 -5.675 -7.363 -0.238 454 HD12 LEU 60 HD12 LEU 60 -7.379 -6.925 -0.383 455 HD13 LEU 60 HD13 LEU 60 -6.217 -5.748 0.213 456 HD21 LEU 60 HD21 LEU 60 -7.993 -7.078 -2.282 457 HD22 LEU 60 HD22 LEU 60 -7.103 -6.553 -3.727 458 HD23 LEU 60 HD23 LEU 60 -7.904 -5.367 -2.717 459 H SER 61 H SER 61 -5.270 -5.440 -5.033 460 HA SER 61 HA SER 61 -3.106 -7.016 -4.728 461 HB2 SER 61 HB3 SER 61 -3.179 -7.582 -7.194 462 HB3 SER 61 HB2 SER 61 -4.732 -7.634 -6.374 463 HG SER 61 HG SER 61 -4.035 -6.208 -8.459 464 H TYR 62 H TYR 62 -2.970 -4.076 -6.321 465 HA TYR 62 HA TYR 62 -0.312 -4.089 -7.348 466 HB2 TYR 62 HB3 TYR 62 -1.894 -2.190 -7.756 467 HB3 TYR 62 HB2 TYR 62 -1.726 -1.699 -6.060 468 HD1 TYR 62 HD1 TYR 62 0.265 -0.594 -5.292 469 HD2 TYR 62 HD2 TYR 62 -0.069 -1.772 -9.353 470 HE1 TYR 62 HE1 TYR 62 2.311 0.576 -5.743 471 HE2 TYR 62 HE2 TYR 62 1.944 -0.417 -9.886 472 HH TYR 62 HH TYR 62 4.117 0.265 -8.199 473 H ILE 63 H ILE 63 -1.583 -3.060 -4.256 474 HA ILE 63 HA ILE 63 0.984 -2.502 -3.084 475 HB ILE 63 HB ILE 63 -0.115 -1.492 -1.295 476 HG12 ILE 63 HG13 ILE 63 -2.752 -2.509 -2.331 477 HG13 ILE 63 HG12 ILE 63 -1.914 -3.360 -1.037 478 HG21 ILE 63 HG21 ILE 63 -1.682 -1.112 -3.691 479 HG22 ILE 63 HG22 ILE 63 -0.030 -0.508 -3.464 480 HG23 ILE 63 HG23 ILE 63 -1.357 0.072 -2.413 481 HD11 ILE 63 HD11 ILE 63 -2.203 -0.474 -0.796 482 HD12 ILE 63 HD12 ILE 63 -2.213 -1.719 0.434 483 HD13 ILE 63 HD13 ILE 63 -3.686 -1.449 -0.549 484 H GLU 64 H GLU 64 -1.160 -5.063 -3.050 485 HA GLU 64 HA GLU 64 -0.457 -6.205 -0.486 486 HB2 GLU 64 HB3 GLU 64 -2.549 -6.899 -1.609 487 HB3 GLU 64 HB2 GLU 64 -1.613 -7.630 -2.912 488 HG2 GLU 64 HG3 GLU 64 -0.705 -9.244 -1.353 489 HG3 GLU 64 HG2 GLU 64 -1.570 -8.471 -0.023 490 H HIS 65 H HIS 65 0.505 -6.978 -3.825 491 HA HIS 65 HA HIS 65 2.736 -8.566 -3.312 492 HB2 HIS 65 HB3 HIS 65 1.654 -8.006 -5.498 493 HB3 HIS 65 HB2 HIS 65 2.218 -6.363 -5.265 494 HD1 HIS 65 HD1 HIS 65 4.055 -9.764 -5.317 495 HD2 HIS 65 HD2 HIS 65 4.254 -5.824 -6.607 496 HE1 HIS 65 HE1 HIS 65 5.984 -9.726 -6.909 497 H ILE 66 H ILE 66 2.783 -5.131 -3.740 498 HA ILE 66 HA ILE 66 5.287 -4.680 -3.248 499 HB ILE 66 HB ILE 66 3.142 -3.053 -1.966 500 HG12 ILE 66 HG13 ILE 66 2.928 -3.460 -4.195 501 HG13 ILE 66 HG12 ILE 66 3.188 -1.672 -4.085 502 HG21 ILE 66 HG21 ILE 66 5.070 -2.239 -0.839 503 HG22 ILE 66 HG22 ILE 66 4.846 -1.083 -2.125 504 HG23 ILE 66 HG23 ILE 66 6.102 -2.292 -2.249 505 HD11 ILE 66 HD11 ILE 66 4.389 -2.221 -5.874 506 HD12 ILE 66 HD12 ILE 66 4.600 -3.908 -5.373 507 HD13 ILE 66 HD13 ILE 66 5.646 -2.655 -4.666 508 H PHE 67 H PHE 67 2.885 -5.078 -0.530 509 HA PHE 67 HA PHE 67 4.830 -4.824 1.328 510 HB2 PHE 67 HB3 PHE 67 2.108 -6.122 1.518 511 HB3 PHE 67 HB2 PHE 67 3.140 -5.697 2.880 512 HD1 PHE 67 HD1 PHE 67 3.987 -3.162 2.759 513 HD2 PHE 67 HD2 PHE 67 0.487 -4.706 0.989 514 HE1 PHE 67 HE1 PHE 67 3.039 -0.871 2.662 515 HE2 PHE 67 HE2 PHE 67 -0.484 -2.443 0.895 516 HZ PHE 67 HZ PHE 67 0.796 -0.526 1.733 517 H GLU 68 H GLU 68 4.007 -7.650 -0.746 518 HA GLU 68 HA GLU 68 5.033 -9.732 0.902 519 HB2 GLU 68 HB3 GLU 68 3.419 -10.059 -0.938 520 HB3 GLU 68 HB2 GLU 68 4.488 -9.208 -2.028 521 HG2 GLU 68 HG3 GLU 68 6.116 -11.082 -1.755 522 HG3 GLU 68 HG2 GLU 68 4.866 -11.910 -0.815 523 H ILE 69 H ILE 69 6.120 -8.106 -2.010 524 HA ILE 69 HA ILE 69 8.585 -9.184 -1.948 525 HB ILE 69 HB ILE 69 9.256 -7.527 -3.626 526 HG12 ILE 69 HG13 ILE 69 6.461 -6.492 -3.182 527 HG13 ILE 69 HG12 ILE 69 7.956 -5.606 -2.847 528 HG21 ILE 69 HG21 ILE 69 8.146 -8.740 -5.182 529 HG22 ILE 69 HG22 ILE 69 6.593 -8.408 -4.420 530 HG23 ILE 69 HG23 ILE 69 7.641 -9.675 -3.762 531 HD11 ILE 69 HD11 ILE 69 8.028 -6.617 -5.412 532 HD12 ILE 69 HD12 ILE 69 8.017 -4.921 -4.885 533 HD13 ILE 69 HD13 ILE 69 6.466 -5.777 -5.182 534 H SER 70 H SER 70 7.583 -6.318 -0.436 535 HA SER 70 HA SER 70 10.248 -5.481 0.235 536 HB2 SER 70 HB3 SER 70 8.484 -3.816 -0.125 537 HB3 SER 70 HB2 SER 70 7.534 -4.541 1.169 538 HG SER 70 HG SER 70 8.583 -3.323 2.477 539 H ARG 71 H ARG 71 11.168 -5.881 2.202 540 HA ARG 71 HA ARG 71 10.202 -8.107 3.644 541 HB2 ARG 71 HB3 ARG 71 12.658 -6.434 4.008 542 HB3 ARG 71 HB2 ARG 71 12.284 -7.842 4.987 543 HG2 ARG 71 HG3 ARG 71 12.547 -7.826 2.008 544 HG3 ARG 71 HG2 ARG 71 13.850 -8.307 3.108 545 HD2 ARG 71 HD3 ARG 71 12.251 -10.170 3.890 546 HD3 ARG 71 HD2 ARG 71 11.166 -9.664 2.611 547 HE ARG 71 HE ARG 71 13.602 -10.073 1.389 548 HH11 ARG 71 HH11 ARG 71 11.365 -12.121 3.210 549 HH12 ARG 71 HH12 ARG 71 11.698 -13.554 2.358 550 HH21 ARG 71 HH22 ARG 71 14.058 -11.951 0.196 551 HH22 ARG 71 HH21 ARG 71 13.277 -13.448 0.507 552 H ARG 72 H ARG 72 8.283 -6.670 4.127 553 HA ARG 72 HA ARG 72 8.445 -5.932 6.952 554 HB2 ARG 72 HB3 ARG 72 8.747 -3.768 5.637 555 HB3 ARG 72 HB2 ARG 72 7.141 -4.031 4.960 556 HG2 ARG 72 HG3 ARG 72 6.905 -2.517 6.780 557 HG3 ARG 72 HG2 ARG 72 6.236 -4.066 7.271 558 HD2 ARG 72 HD3 ARG 72 8.463 -4.607 8.292 559 HD3 ARG 72 HD2 ARG 72 8.928 -2.931 7.990 560 HE ARG 72 HE ARG 72 6.501 -3.338 9.505 561 HH11 ARG 72 HH11 ARG 72 9.717 -2.092 9.651 562 HH12 ARG 72 HH12 ARG 72 9.940 -2.255 11.344 563 HH21 ARG 72 HH22 ARG 72 6.696 -3.702 11.853 564 HH22 ARG 72 HH21 ARG 72 8.118 -3.203 12.657 565 HA PRO 73 HA PRO 73 4.823 -8.671 5.441 566 HB2 PRO 73 HB2 PRO 73 5.009 -10.345 7.570 567 HB3 PRO 73 HB3 PRO 73 5.851 -10.576 6.031 568 HG2 PRO 73 HG3 PRO 73 6.781 -9.338 8.548 569 HG3 PRO 73 HG2 PRO 73 7.621 -10.541 7.529 570 HD2 PRO 73 HD3 PRO 73 8.314 -7.978 7.405 571 HD3 PRO 73 HD2 PRO 73 8.153 -8.914 5.910 572 H ASP 74 H ASP 74 5.238 -6.712 8.155 573 HA ASP 74 HA ASP 74 2.940 -7.466 9.747 574 HB2 ASP 74 HB3 ASP 74 4.029 -4.636 9.503 575 HB3 ASP 74 HB2 ASP 74 3.066 -5.261 10.805 576 H LEU 75 H LEU 75 3.623 -5.160 7.503 577 HA LEU 75 HA LEU 75 1.028 -3.959 7.268 578 HB2 LEU 75 HB3 LEU 75 3.368 -3.729 5.414 579 HB3 LEU 75 HB2 LEU 75 1.871 -2.888 5.111 580 HG LEU 75 HG LEU 75 2.237 -1.517 7.242 581 HD11 LEU 75 HD11 LEU 75 4.736 -1.682 7.962 582 HD12 LEU 75 HD12 LEU 75 4.478 -3.389 7.586 583 HD13 LEU 75 HD13 LEU 75 3.448 -2.573 8.757 584 HD21 LEU 75 HD21 LEU 75 4.697 -1.455 5.611 585 HD22 LEU 75 HD22 LEU 75 3.747 -0.119 6.277 586 HD23 LEU 75 HD23 LEU 75 3.129 -1.043 4.901 587 H LEU 76 H LEU 76 2.696 -6.074 5.233 588 HA LEU 76 HA LEU 76 0.855 -6.793 3.165 589 HB2 LEU 76 HB3 LEU 76 3.044 -8.107 3.459 590 HB3 LEU 76 HB2 LEU 76 2.173 -8.973 4.741 591 HG LEU 76 HG LEU 76 0.469 -9.440 3.031 592 HD11 LEU 76 HD11 LEU 76 2.088 -9.755 0.795 593 HD12 LEU 76 HD12 LEU 76 2.001 -8.075 1.323 594 HD13 LEU 76 HD13 LEU 76 0.524 -8.989 1.053 595 HD21 LEU 76 HD21 LEU 76 1.213 -11.378 3.655 596 HD22 LEU 76 HD22 LEU 76 2.902 -10.870 3.708 597 HD23 LEU 76 HD23 LEU 76 2.192 -11.402 2.177 598 H THR 77 H THR 77 1.222 -8.352 6.114 599 HA THR 77 HA THR 77 -0.908 -10.026 6.345 600 HB THR 77 HB THR 77 0.385 -8.412 8.481 601 HG1 THR 77 HG1 THR 77 1.928 -9.739 7.790 602 HG21 THR 77 HG21 THR 77 -0.437 -10.696 9.698 603 HG22 THR 77 HG22 THR 77 -1.728 -10.312 8.523 604 HG23 THR 77 HG23 THR 77 -1.212 -9.072 9.708 605 H MET 78 H MET 78 -0.818 -6.727 7.302 606 HA MET 78 HA MET 78 -3.480 -6.631 8.202 607 HB2 MET 78 HB3 MET 78 -1.774 -4.302 7.315 608 HB3 MET 78 HB2 MET 78 -3.339 -4.164 8.101 609 HG2 MET 78 HG3 MET 78 -1.020 -5.657 9.260 610 HG3 MET 78 HG2 MET 78 -1.483 -3.988 9.734 611 HE1 MET 78 HE1 MET 78 -2.200 -5.017 12.747 612 HE2 MET 78 HE2 MET 78 -0.863 -5.588 11.741 613 HE3 MET 78 HE3 MET 78 -1.975 -6.747 12.467 614 H VAL 79 H VAL 79 -2.123 -6.152 5.021 615 HA VAL 79 HA VAL 79 -4.532 -5.196 3.782 616 HB VAL 79 HB VAL 79 -2.156 -6.613 2.527 617 HG11 VAL 79 HG11 VAL 79 -2.931 -6.113 0.490 618 HG12 VAL 79 HG12 VAL 79 -3.532 -4.542 1.022 619 HG13 VAL 79 HG13 VAL 79 -4.490 -5.988 1.330 620 HG21 VAL 79 HG21 VAL 79 -1.602 -4.635 3.935 621 HG22 VAL 79 HG22 VAL 79 -2.500 -3.638 2.793 622 HG23 VAL 79 HG23 VAL 79 -1.078 -4.537 2.258 623 H VAL 80 H VAL 80 -2.869 -8.261 3.963 624 HA VAL 80 HA VAL 80 -4.714 -9.943 2.713 625 HB VAL 80 HB VAL 80 -2.847 -10.558 5.072 626 HG11 VAL 80 HG11 VAL 80 -3.070 -12.862 4.532 627 HG12 VAL 80 HG12 VAL 80 -4.119 -12.486 3.154 628 HG13 VAL 80 HG13 VAL 80 -4.670 -12.164 4.817 629 HG21 VAL 80 HG21 VAL 80 -1.194 -10.290 3.566 630 HG22 VAL 80 HG22 VAL 80 -2.354 -10.091 2.248 631 HG23 VAL 80 HG23 VAL 80 -1.831 -11.705 2.727 632 H ASP 81 H ASP 81 -4.377 -9.191 5.931 633 HA ASP 81 HA ASP 81 -6.551 -10.426 7.128 634 HB2 ASP 81 HB3 ASP 81 -4.814 -9.503 8.557 635 HB3 ASP 81 HB2 ASP 81 -5.247 -7.861 8.137 636 H TYR 82 H TYR 82 -6.385 -7.247 5.891 637 HA TYR 82 HA TYR 82 -8.988 -6.175 6.313 638 HB2 TYR 82 HB3 TYR 82 -7.324 -4.751 5.469 639 HB3 TYR 82 HB2 TYR 82 -7.097 -5.727 4.022 640 HD1 TYR 82 HD2 TYR 82 -9.706 -3.643 5.784 641 HD2 TYR 82 HD1 TYR 82 -8.223 -5.288 2.172 642 HE1 TYR 82 HE2 TYR 82 -11.312 -2.376 4.546 643 HE2 TYR 82 HE1 TYR 82 -9.863 -4.024 0.913 644 HH TYR 82 HH TYR 82 -11.499 -2.503 1.005 645 H ARG 83 H ARG 83 -7.686 -7.899 3.516 646 HA ARG 83 HA ARG 83 -9.989 -7.900 2.005 647 HB2 ARG 83 HB3 ARG 83 -8.117 -8.231 0.808 648 HB3 ARG 83 HB2 ARG 83 -7.360 -9.241 2.002 649 HG2 ARG 83 HG3 ARG 83 -9.576 -10.245 0.283 650 HG3 ARG 83 HG2 ARG 83 -7.887 -10.199 -0.325 651 HD2 ARG 83 HD3 ARG 83 -7.348 -11.465 1.834 652 HD3 ARG 83 HD2 ARG 83 -9.087 -11.699 2.012 653 HE ARG 83 HE ARG 83 -8.220 -12.497 -0.519 654 HH11 ARG 83 HH11 ARG 83 -8.450 -13.677 2.855 655 HH12 ARG 83 HH12 ARG 83 -7.908 -15.240 2.484 656 HH21 ARG 83 HH22 ARG 83 -7.377 -14.729 -0.957 657 HH22 ARG 83 HH21 ARG 83 -7.176 -15.811 0.353 658 H THR 84 H THR 84 -8.848 -10.177 4.026 659 HA THR 84 HA THR 84 -11.014 -12.025 3.846 660 HB THR 84 HB THR 84 -9.185 -11.620 6.172 661 HG1 THR 84 HG1 THR 84 -7.841 -12.117 4.532 662 HG21 THR 84 HG21 THR 84 -11.003 -12.895 6.698 663 HG22 THR 84 HG22 THR 84 -9.609 -13.999 6.542 664 HG23 THR 84 HG23 THR 84 -10.844 -13.870 5.221 665 H ARG 85 H ARG 85 -10.279 -10.066 6.350 666 HA ARG 85 HA ARG 85 -12.425 -10.186 7.992 667 HB2 ARG 85 HB3 ARG 85 -11.949 -8.132 9.268 668 HB3 ARG 85 HB2 ARG 85 -10.469 -8.928 8.827 669 HG2 ARG 85 HG3 ARG 85 -10.248 -7.263 6.934 670 HG3 ARG 85 HG2 ARG 85 -11.620 -6.414 7.613 671 HD2 ARG 85 HD3 ARG 85 -10.504 -6.228 9.706 672 HD3 ARG 85 HD2 ARG 85 -9.088 -7.076 9.048 673 HE ARG 85 HE ARG 85 -9.853 -4.683 7.635 674 HH11 ARG 85 HH11 ARG 85 -7.591 -6.130 9.900 675 HH12 ARG 85 HH12 ARG 85 -6.754 -4.702 10.310 676 HH21 ARG 85 HH22 ARG 85 -8.634 -2.556 8.157 677 HH22 ARG 85 HH21 ARG 85 -7.388 -2.588 9.293 678 H VAL 86 H VAL 86 -12.081 -7.739 5.899 679 HA VAL 86 HA VAL 86 -14.614 -6.617 6.149 680 HB VAL 86 HB VAL 86 -12.680 -6.281 3.898 681 HG11 VAL 86 HG11 VAL 86 -14.899 -5.672 2.941 682 HG12 VAL 86 HG12 VAL 86 -14.067 -4.173 3.333 683 HG13 VAL 86 HG13 VAL 86 -15.311 -4.790 4.415 684 HG21 VAL 86 HG21 VAL 86 -12.941 -5.320 6.517 685 HG22 VAL 86 HG22 VAL 86 -13.189 -3.946 5.436 686 HG23 VAL 86 HG23 VAL 86 -11.722 -4.924 5.309 687 H LEU 87 H LEU 87 -13.441 -9.046 4.071 688 HA LEU 87 HA LEU 87 -15.589 -9.618 2.293 689 HB2 LEU 87 HB3 LEU 87 -13.213 -10.430 2.342 690 HB3 LEU 87 HB2 LEU 87 -13.604 -11.345 3.759 691 HG LEU 87 HG LEU 87 -13.272 -12.730 1.889 692 HD11 LEU 87 HD11 LEU 87 -15.598 -13.856 1.696 693 HD12 LEU 87 HD12 LEU 87 -16.023 -12.699 2.973 694 HD13 LEU 87 HD13 LEU 87 -14.669 -13.815 3.201 695 HD21 LEU 87 HD21 LEU 87 -13.657 -11.358 0.078 696 HD22 LEU 87 HD22 LEU 87 -15.341 -11.067 0.508 697 HD23 LEU 87 HD23 LEU 87 -14.844 -12.658 -0.085 698 H LYS 88 H LYS 88 -14.620 -10.811 5.430 699 HA LYS 88 HA LYS 88 -16.875 -12.380 5.936 700 HB2 LYS 88 HB3 LYS 88 -14.655 -12.781 6.987 701 HB3 LYS 88 HB2 LYS 88 -14.893 -11.351 7.983 702 HG2 LYS 88 HG3 LYS 88 -15.373 -13.381 9.260 703 HG3 LYS 88 HG2 LYS 88 -16.822 -12.412 9.053 704 HD2 LYS 88 HD3 LYS 88 -17.539 -13.805 7.181 705 HD3 LYS 88 HD2 LYS 88 -16.088 -14.785 7.325 706 HE2 LYS 88 HE3 LYS 88 -16.804 -15.495 9.552 707 HE3 LYS 88 HE2 LYS 88 -18.260 -14.500 9.414 708 HZ1 LYS 88 HZ1 LYS 88 -18.450 -15.842 7.203 709 HZ2 LYS 88 HZ2 LYS 88 -19.118 -16.456 8.615 710 HZ3 LYS 88 HZ3 LYS 88 -17.621 -17.013 8.023 711 H ILE 89 H ILE 89 -16.269 -8.969 6.738 712 HA ILE 89 HA ILE 89 -18.362 -8.711 8.604 713 HB ILE 89 HB ILE 89 -16.603 -6.861 7.054 714 HG12 ILE 89 HG13 ILE 89 -16.707 -7.478 10.014 715 HG13 ILE 89 HG12 ILE 89 -15.518 -8.070 8.854 716 HG21 ILE 89 HG21 ILE 89 -18.479 -5.828 9.141 717 HG22 ILE 89 HG22 ILE 89 -18.816 -5.957 7.389 718 HG23 ILE 89 HG23 ILE 89 -17.482 -4.956 7.939 719 HD11 ILE 89 HD11 ILE 89 -14.975 -6.063 10.414 720 HD12 ILE 89 HD12 ILE 89 -15.877 -5.132 9.209 721 HD13 ILE 89 HD13 ILE 89 -14.455 -6.060 8.735 722 H SER 90 H SER 90 -17.893 -7.848 5.219 723 HA SER 90 HA SER 90 -20.613 -6.940 5.044 724 HB2 SER 90 HB3 SER 90 -18.390 -7.019 3.026 725 HB3 SER 90 HB2 SER 90 -19.989 -6.334 2.689 726 HG SER 90 HG SER 90 -18.073 -5.441 4.618 Start of MODEL 12 1 H1 MET 1 H MET 1 -16.095 2.348 1.184 2 H2 MET 1 H2 MET 1 -15.334 1.304 0.129 3 H3 MET 1 H3 MET 1 -15.303 0.986 1.780 4 HA MET 1 HA MET 1 -13.267 1.931 0.619 5 HB2 MET 1 HB3 MET 1 -14.902 4.419 0.968 6 HB3 MET 1 HB2 MET 1 -13.174 4.422 0.674 7 HG2 MET 1 HG3 MET 1 -13.637 3.275 -1.494 8 HG3 MET 1 HG2 MET 1 -15.357 3.475 -1.154 9 HE1 MET 1 HE1 MET 1 -12.123 5.226 -0.898 10 HE2 MET 1 HE2 MET 1 -12.700 6.854 -0.558 11 HE3 MET 1 HE3 MET 1 -12.171 6.431 -2.194 12 H ALA 2 H ALA 2 -15.240 2.817 3.267 13 HA ALA 2 HA ALA 2 -13.135 4.113 4.664 14 HB1 ALA 2 HB1 ALA 2 -15.108 4.724 5.705 15 HB2 ALA 2 HB2 ALA 2 -14.508 3.541 6.854 16 HB3 ALA 2 HB3 ALA 2 -15.753 3.080 5.683 17 H GLU 3 H GLU 3 -14.134 0.926 5.627 18 HA GLU 3 HA GLU 3 -11.949 0.604 7.181 19 HB2 GLU 3 HB3 GLU 3 -13.098 -1.769 5.676 20 HB3 GLU 3 HB2 GLU 3 -11.943 -1.916 6.985 21 HG2 GLU 3 HG3 GLU 3 -13.551 -0.766 8.472 22 HG3 GLU 3 HG2 GLU 3 -14.725 -0.814 7.134 23 H TYR 4 H TYR 4 -12.018 0.173 4.063 24 HA TYR 4 HA TYR 4 -9.321 -0.664 3.512 25 HB2 TYR 4 HB3 TYR 4 -10.946 -0.542 1.597 26 HB3 TYR 4 HB2 TYR 4 -10.752 1.225 1.570 27 HD1 TYR 4 HD1 TYR 4 -8.422 -1.639 1.792 28 HD2 TYR 4 HD2 TYR 4 -9.495 1.827 -0.498 29 HE1 TYR 4 HE1 TYR 4 -6.539 -2.016 0.270 30 HE2 TYR 4 HE2 TYR 4 -7.656 1.448 -1.960 31 HH TYR 4 HH TYR 4 -6.263 -0.847 -2.629 32 H GLY 5 H GLY 5 -10.758 2.441 3.667 33 HA2 GLY 5 HA3 GLY 5 -8.626 4.263 3.433 34 HA3 GLY 5 HA2 GLY 5 -10.020 4.605 4.460 35 H THR 6 H THR 6 -9.766 2.783 6.516 36 HA THR 6 HA THR 6 -7.649 3.793 8.114 37 HB THR 6 HB THR 6 -9.208 1.257 8.459 38 HG1 THR 6 HG1 THR 6 -9.925 3.985 8.874 39 HG21 THR 6 HG21 THR 6 -7.526 1.539 10.027 40 HG22 THR 6 HG22 THR 6 -9.028 2.019 10.849 41 HG23 THR 6 HG23 THR 6 -7.922 3.256 10.218 42 H LEU 7 H LEU 7 -8.216 0.854 6.511 43 HA LEU 7 HA LEU 7 -6.012 -0.746 7.137 44 HB2 LEU 7 HB3 LEU 7 -7.572 -1.564 5.524 45 HB3 LEU 7 HB2 LEU 7 -7.035 -0.383 4.338 46 HG LEU 7 HG LEU 7 -4.822 -1.464 4.342 47 HD11 LEU 7 HD11 LEU 7 -5.199 -3.983 5.180 48 HD12 LEU 7 HD12 LEU 7 -6.047 -3.034 6.430 49 HD13 LEU 7 HD13 LEU 7 -4.357 -2.720 6.072 50 HD21 LEU 7 HD21 LEU 7 -7.061 -2.100 2.987 51 HD22 LEU 7 HD22 LEU 7 -6.554 -3.681 3.568 52 HD23 LEU 7 HD23 LEU 7 -5.452 -2.710 2.585 53 H LEU 8 H LEU 8 -6.021 1.377 4.566 54 HA LEU 8 HA LEU 8 -3.233 1.493 3.841 55 HB2 LEU 8 HB3 LEU 8 -5.210 3.760 3.551 56 HB3 LEU 8 HB2 LEU 8 -3.511 3.827 3.060 57 HG LEU 8 HG LEU 8 -3.828 2.274 1.314 58 HD11 LEU 8 HD11 LEU 8 -5.674 0.959 0.885 59 HD12 LEU 8 HD12 LEU 8 -6.738 1.909 1.920 60 HD13 LEU 8 HD13 LEU 8 -5.488 0.869 2.637 61 HD21 LEU 8 HD21 LEU 8 -6.320 3.606 0.681 62 HD22 LEU 8 HD22 LEU 8 -4.711 3.807 -0.028 63 HD23 LEU 8 HD23 LEU 8 -5.165 4.687 1.431 64 H GLN 9 H GLN 9 -5.007 3.270 6.141 65 HA GLN 9 HA GLN 9 -2.924 4.890 7.109 66 HB2 GLN 9 HB3 GLN 9 -4.978 5.865 7.141 67 HB3 GLN 9 HB2 GLN 9 -5.751 4.389 7.699 68 HG2 GLN 9 HG3 GLN 9 -5.325 4.639 9.631 69 HG3 GLN 9 HG2 GLN 9 -3.856 5.704 9.565 70 HE21 GLN 9 HE22 GLN 9 -4.256 7.817 9.680 71 HE22 GLN 9 HE21 GLN 9 -5.819 8.529 9.914 72 H ASP 10 H ASP 10 -3.970 1.971 7.790 73 HA ASP 10 HA ASP 10 -2.961 1.618 10.537 74 HB2 ASP 10 HB3 ASP 10 -4.169 -0.495 8.794 75 HB3 ASP 10 HB2 ASP 10 -3.292 -0.873 10.270 76 H LEU 11 H LEU 11 -1.959 0.762 7.273 77 HA LEU 11 HA LEU 11 0.361 -0.382 8.353 78 HB2 LEU 11 HB3 LEU 11 0.996 -0.801 6.065 79 HB3 LEU 11 HB2 LEU 11 -0.522 -1.580 6.508 80 HG LEU 11 HG LEU 11 -1.455 0.589 5.343 81 HD11 LEU 11 HD11 LEU 11 1.229 0.928 5.097 82 HD12 LEU 11 HD12 LEU 11 -0.057 1.854 4.282 83 HD13 LEU 11 HD13 LEU 11 0.688 0.461 3.478 84 HD21 LEU 11 HD21 LEU 11 -0.311 -1.486 3.518 85 HD22 LEU 11 HD22 LEU 11 -1.891 -0.713 3.447 86 HD23 LEU 11 HD23 LEU 11 -1.536 -1.956 4.674 87 H THR 12 H THR 12 -0.743 2.437 7.121 88 HA THR 12 HA THR 12 1.665 3.930 6.719 89 HB THR 12 HB THR 12 -1.188 4.664 7.085 90 HG1 THR 12 HG1 THR 12 -0.878 3.929 5.134 91 HG21 THR 12 HG21 THR 12 1.035 6.414 7.340 92 HG22 THR 12 HG22 THR 12 -0.727 6.660 7.584 93 HG23 THR 12 HG23 THR 12 -0.044 6.760 5.925 94 H ASN 13 H ASN 13 -0.353 3.365 9.550 95 HA ASN 13 HA ASN 13 1.046 5.104 11.332 96 HB2 ASN 13 HB3 ASN 13 -0.535 2.599 12.024 97 HB3 ASN 13 HB2 ASN 13 0.130 3.660 13.237 98 HD21 ASN 13 HD22 ASN 13 -2.632 2.756 12.198 99 HD22 ASN 13 HD21 ASN 13 -3.532 4.211 12.124 100 H ASN 14 H ASN 14 1.523 1.862 10.263 101 HA ASN 14 HA ASN 14 3.731 1.436 12.097 102 HB2 ASN 14 HB3 ASN 14 2.488 -0.485 10.061 103 HB3 ASN 14 HB2 ASN 14 3.810 -0.851 11.151 104 HD21 ASN 14 HD22 ASN 14 0.456 -0.852 10.865 105 HD22 ASN 14 HD21 ASN 14 0.098 -1.111 12.529 106 H ILE 15 H ILE 15 3.321 2.752 9.150 107 HA ILE 15 HA ILE 15 5.712 1.901 7.859 108 HB ILE 15 HB ILE 15 3.632 3.987 7.310 109 HG12 ILE 15 HG13 ILE 15 3.320 1.704 6.544 110 HG13 ILE 15 HG12 ILE 15 3.315 2.864 5.219 111 HG21 ILE 15 HG21 ILE 15 4.786 5.371 6.138 112 HG22 ILE 15 HG22 ILE 15 5.373 4.058 5.119 113 HG23 ILE 15 HG23 ILE 15 6.278 4.514 6.574 114 HD11 ILE 15 HD11 ILE 15 4.931 1.771 4.228 115 HD12 ILE 15 HD12 ILE 15 4.954 0.587 5.536 116 HD13 ILE 15 HD13 ILE 15 5.988 2.028 5.612 117 H THR 16 H THR 16 7.725 2.612 8.468 118 HA THR 16 HA THR 16 7.977 5.209 9.642 119 HB THR 16 HB THR 16 10.275 4.792 9.850 120 HG1 THR 16 HG1 THR 16 10.387 2.186 8.822 121 HG21 THR 16 HG21 THR 16 10.405 2.883 11.193 122 HG22 THR 16 HG22 THR 16 8.925 2.266 10.376 123 HG23 THR 16 HG23 THR 16 8.848 3.779 11.361 124 H LEU 17 H LEU 17 9.056 6.552 8.568 125 HA LEU 17 HA LEU 17 8.487 6.928 5.858 126 HB2 LEU 17 HB3 LEU 17 9.465 8.666 7.500 127 HB3 LEU 17 HB2 LEU 17 11.039 8.054 7.074 128 HG LEU 17 HG LEU 17 9.128 9.510 5.253 129 HD11 LEU 17 HD11 LEU 17 9.972 11.194 6.431 130 HD12 LEU 17 HD12 LEU 17 11.291 11.009 5.271 131 HD13 LEU 17 HD13 LEU 17 11.431 10.303 6.885 132 HD21 LEU 17 HD21 LEU 17 10.420 7.846 4.030 133 HD22 LEU 17 HD22 LEU 17 11.922 8.512 4.672 134 HD23 LEU 17 HD23 LEU 17 10.912 9.497 3.612 135 H GLU 18 H GLU 18 11.405 5.613 7.258 136 HA GLU 18 HA GLU 18 12.665 4.853 4.834 137 HB2 GLU 18 HB3 GLU 18 13.127 3.536 7.513 138 HB3 GLU 18 HB2 GLU 18 14.117 3.231 6.079 139 HG2 GLU 18 HG3 GLU 18 14.643 5.708 6.086 140 HG3 GLU 18 HG2 GLU 18 13.801 5.814 7.611 141 H ASP 19 H ASP 19 10.633 3.001 6.860 142 HA ASP 19 HA ASP 19 10.576 0.520 5.544 143 HB2 ASP 19 HB3 ASP 19 8.166 1.851 6.855 144 HB3 ASP 19 HB2 ASP 19 8.145 0.176 6.246 145 H LEU 20 H LEU 20 8.285 3.135 5.013 146 HA LEU 20 HA LEU 20 7.146 2.286 2.698 147 HB2 LEU 20 HB3 LEU 20 6.735 4.536 3.930 148 HB3 LEU 20 HB2 LEU 20 8.098 5.025 2.910 149 HG LEU 20 HG LEU 20 6.969 4.404 0.949 150 HD11 LEU 20 HD11 LEU 20 4.515 4.080 1.004 151 HD12 LEU 20 HD12 LEU 20 4.660 3.784 2.748 152 HD13 LEU 20 HD13 LEU 20 5.480 2.730 1.608 153 HD21 LEU 20 HD21 LEU 20 5.026 6.193 1.510 154 HD22 LEU 20 HD22 LEU 20 6.687 6.553 1.052 155 HD23 LEU 20 HD23 LEU 20 6.232 6.531 2.768 156 H GLU 21 H GLU 21 10.147 4.022 3.061 157 HA GLU 21 HA GLU 21 10.506 4.252 0.308 158 HB2 GLU 21 HB3 GLU 21 12.664 4.508 2.408 159 HB3 GLU 21 HB2 GLU 21 12.930 4.774 0.681 160 HG2 GLU 21 HG3 GLU 21 11.045 6.433 0.765 161 HG3 GLU 21 HG2 GLU 21 11.109 6.305 2.517 162 H GLN 22 H GLN 22 11.278 1.906 2.344 163 HA GLN 22 HA GLN 22 12.728 0.290 0.483 164 HB2 GLN 22 HB3 GLN 22 12.768 -0.296 2.946 165 HB3 GLN 22 HB2 GLN 22 11.148 -0.984 2.685 166 HG2 GLN 22 HG3 GLN 22 12.022 -2.528 1.075 167 HG3 GLN 22 HG2 GLN 22 13.630 -1.854 1.236 168 HE21 GLN 22 HE22 GLN 22 12.125 -4.446 1.844 169 HE22 GLN 22 HE21 GLN 22 12.810 -4.894 3.404 170 H LEU 23 H LEU 23 9.200 0.459 1.262 171 HA LEU 23 HA LEU 23 8.348 -1.465 -0.497 172 HB2 LEU 23 HB3 LEU 23 7.102 1.165 0.404 173 HB3 LEU 23 HB2 LEU 23 6.233 -0.116 -0.415 174 HG LEU 23 HG LEU 23 7.446 -0.293 2.332 175 HD11 LEU 23 HD11 LEU 23 5.195 -0.083 3.140 176 HD12 LEU 23 HD12 LEU 23 4.568 -0.039 1.485 177 HD13 LEU 23 HD13 LEU 23 5.568 1.280 2.091 178 HD21 LEU 23 HD21 LEU 23 5.337 -2.123 1.769 179 HD22 LEU 23 HD22 LEU 23 6.991 -2.430 2.299 180 HD23 LEU 23 HD23 LEU 23 6.634 -2.292 0.569 181 H LYS 24 H LYS 24 8.993 1.823 -0.759 182 HA LYS 24 HA LYS 24 8.251 2.354 -3.518 183 HB2 LYS 24 HB3 LYS 24 10.636 3.760 -2.269 184 HB3 LYS 24 HB2 LYS 24 9.701 4.325 -3.608 185 HG2 LYS 24 HG3 LYS 24 7.754 4.655 -2.018 186 HG3 LYS 24 HG2 LYS 24 8.823 4.323 -0.669 187 HD2 LYS 24 HD3 LYS 24 9.054 6.535 -2.699 188 HD3 LYS 24 HD2 LYS 24 8.748 6.658 -0.958 189 HE2 LYS 24 HE3 LYS 24 11.036 5.751 -0.546 190 HE3 LYS 24 HE2 LYS 24 11.289 5.719 -2.290 191 HZ1 LYS 24 HZ1 LYS 24 10.802 8.204 -2.192 192 HZ2 LYS 24 HZ2 LYS 24 12.290 7.696 -1.543 193 HZ3 LYS 24 HZ3 LYS 24 11.042 8.068 -0.512 194 H SER 25 H SER 25 10.983 1.677 -2.202 195 HA SER 25 HA SER 25 12.869 1.268 -4.295 196 HB2 SER 25 HB3 SER 25 13.130 -0.345 -1.713 197 HB3 SER 25 HB2 SER 25 14.390 -0.144 -2.924 198 HG SER 25 HG SER 25 13.213 1.822 -1.261 199 H ALA 26 H ALA 26 11.021 -0.955 -2.760 200 HA ALA 26 HA ALA 26 11.342 -3.197 -4.511 201 HB1 ALA 26 HB1 ALA 26 8.663 -3.309 -3.548 202 HB2 ALA 26 HB2 ALA 26 9.657 -2.616 -2.270 203 HB3 ALA 26 HB3 ALA 26 10.069 -4.185 -2.948 204 H CYS 27 H CYS 27 8.915 -0.596 -4.408 205 HA CYS 27 HA CYS 27 7.580 -1.361 -6.776 206 HB2 CYS 27 HB3 CYS 27 7.698 1.367 -5.568 207 HB3 CYS 27 HB2 CYS 27 6.541 0.683 -6.718 208 HG CYS 27 HG CYS 27 6.922 -0.448 -3.532 209 H LYS 28 H LYS 28 10.646 -0.105 -6.673 210 HA LYS 28 HA LYS 28 10.726 2.192 -8.041 211 HB2 LYS 28 HB3 LYS 28 13.007 1.663 -8.750 212 HB3 LYS 28 HB2 LYS 28 12.706 1.157 -7.087 213 HG2 LYS 28 HG3 LYS 28 12.345 -1.152 -7.883 214 HG3 LYS 28 HG2 LYS 28 12.762 -0.630 -9.508 215 HD2 LYS 28 HD3 LYS 28 14.995 -0.012 -8.742 216 HD3 LYS 28 HD2 LYS 28 14.584 -0.509 -7.102 217 HE2 LYS 28 HE3 LYS 28 14.111 -2.796 -7.989 218 HE3 LYS 28 HE2 LYS 28 14.718 -2.259 -9.557 219 HZ1 LYS 28 HZ1 LYS 28 16.774 -2.774 -8.821 220 HZ2 LYS 28 HZ2 LYS 28 16.115 -3.194 -7.341 221 HZ3 LYS 28 HZ3 LYS 28 16.634 -1.624 -7.594 222 H GLU 29 H GLU 29 10.399 -0.915 -9.547 223 HA GLU 29 HA GLU 29 10.576 0.160 -12.140 224 HB2 GLU 29 HB3 GLU 29 9.703 -2.536 -11.207 225 HB3 GLU 29 HB2 GLU 29 9.846 -2.102 -12.916 226 HG2 GLU 29 HG3 GLU 29 12.220 -1.510 -12.515 227 HG3 GLU 29 HG2 GLU 29 12.040 -2.094 -10.854 228 H ASP 30 H ASP 30 7.869 -0.625 -10.028 229 HA ASP 30 HA ASP 30 5.945 -0.221 -12.116 230 HB2 ASP 30 HB3 ASP 30 5.579 -0.755 -9.183 231 HB3 ASP 30 HB2 ASP 30 4.258 -0.613 -10.326 232 H ILE 31 H ILE 31 6.840 1.602 -9.207 233 HA ILE 31 HA ILE 31 4.934 3.647 -10.036 234 HB ILE 31 HB ILE 31 4.966 2.688 -7.636 235 HG12 ILE 31 HG13 ILE 31 3.943 4.902 -8.046 236 HG13 ILE 31 HG12 ILE 31 4.584 4.716 -6.431 237 HG21 ILE 31 HG21 ILE 31 6.582 3.481 -6.088 238 HG22 ILE 31 HG22 ILE 31 7.465 4.248 -7.415 239 HG23 ILE 31 HG23 ILE 31 7.302 2.485 -7.357 240 HD11 ILE 31 HD11 ILE 31 6.371 5.919 -8.404 241 HD12 ILE 31 HD12 ILE 31 6.106 6.311 -6.689 242 HD13 ILE 31 HD13 ILE 31 4.949 6.897 -7.863 243 HA PRO 32 HA PRO 32 8.163 5.471 -12.002 244 HB2 PRO 32 HB2 PRO 32 7.446 8.160 -12.095 245 HB3 PRO 32 HB3 PRO 32 6.927 6.864 -13.205 246 HG2 PRO 32 HG3 PRO 32 5.586 7.991 -10.840 247 HG3 PRO 32 HG2 PRO 32 4.880 7.496 -12.389 248 HD2 PRO 32 HD3 PRO 32 4.710 6.038 -10.170 249 HD3 PRO 32 HD2 PRO 32 4.824 5.299 -11.804 250 H SER 33 H SER 33 9.934 6.321 -11.746 251 HA SER 33 HA SER 33 11.231 6.692 -9.228 252 HB2 SER 33 HB3 SER 33 12.517 6.186 -11.320 253 HB3 SER 33 HB2 SER 33 12.300 7.847 -11.861 254 HG SER 33 HG SER 33 14.295 7.099 -10.666 255 H GLU 34 H GLU 34 10.335 9.042 -11.520 256 HA GLU 34 HA GLU 34 10.540 11.627 -10.624 257 HB2 GLU 34 HB3 GLU 34 9.288 10.800 -12.637 258 HB3 GLU 34 HB2 GLU 34 7.948 10.412 -11.588 259 HG2 GLU 34 HG3 GLU 34 7.388 12.424 -12.606 260 HG3 GLU 34 HG2 GLU 34 7.929 12.777 -10.951 261 H LYS 35 H LYS 35 8.100 9.612 -9.937 262 HA LYS 35 HA LYS 35 6.885 11.131 -7.806 263 HB2 LYS 35 HB3 LYS 35 6.070 8.471 -8.891 264 HB3 LYS 35 HB2 LYS 35 5.165 9.315 -7.629 265 HG2 LYS 35 HG3 LYS 35 5.812 10.444 -10.320 266 HG3 LYS 35 HG2 LYS 35 4.269 9.675 -9.871 267 HD2 LYS 35 HD3 LYS 35 4.030 11.248 -8.032 268 HD3 LYS 35 HD2 LYS 35 5.535 12.044 -8.459 269 HE2 LYS 35 HE3 LYS 35 4.534 12.756 -10.594 270 HE3 LYS 35 HE2 LYS 35 3.014 11.983 -10.111 271 HZ1 LYS 35 HZ1 LYS 35 2.524 13.699 -8.739 272 HZ2 LYS 35 HZ2 LYS 35 3.738 14.572 -9.505 273 HZ3 LYS 35 HZ3 LYS 35 4.076 13.725 -8.100 274 H SER 36 H SER 36 8.440 7.955 -7.701 275 HA SER 36 HA SER 36 8.194 7.380 -5.094 276 HB2 SER 36 HB3 SER 36 9.155 5.929 -6.718 277 HB3 SER 36 HB2 SER 36 10.586 6.943 -6.899 278 HG SER 36 HG SER 36 10.959 5.149 -5.594 279 H GLU 37 H GLU 37 10.025 9.724 -6.396 280 HA GLU 37 HA GLU 37 11.719 10.281 -4.146 281 HB2 GLU 37 HB3 GLU 37 11.226 12.245 -6.392 282 HB3 GLU 37 HB2 GLU 37 12.245 12.611 -5.009 283 HG2 GLU 37 HG3 GLU 37 13.687 10.691 -5.599 284 HG3 GLU 37 HG2 GLU 37 12.682 10.402 -7.014 285 H GLU 38 H GLU 38 8.586 12.055 -4.940 286 HA GLU 38 HA GLU 38 8.854 13.411 -2.631 287 HB2 GLU 38 HB3 GLU 38 6.609 14.209 -3.242 288 HB3 GLU 38 HB2 GLU 38 7.740 14.282 -4.588 289 HG2 GLU 38 HG3 GLU 38 6.741 12.296 -5.562 290 HG3 GLU 38 HG2 GLU 38 5.664 12.121 -4.203 291 H ILE 39 H ILE 39 8.034 10.231 -2.989 292 HA ILE 39 HA ILE 39 5.750 10.145 -1.281 293 HB ILE 39 HB ILE 39 7.453 7.881 -2.384 294 HG12 ILE 39 HG13 ILE 39 4.748 8.909 -3.230 295 HG13 ILE 39 HG12 ILE 39 6.266 9.269 -4.062 296 HG21 ILE 39 HG21 ILE 39 4.650 7.535 -1.561 297 HG22 ILE 39 HG22 ILE 39 5.856 7.636 -0.268 298 HG23 ILE 39 HG23 ILE 39 5.987 6.378 -1.515 299 HD11 ILE 39 HD11 ILE 39 5.347 6.506 -3.516 300 HD12 ILE 39 HD12 ILE 39 6.468 7.102 -4.767 301 HD13 ILE 39 HD13 ILE 39 4.712 7.453 -4.878 302 H THR 40 H THR 40 7.253 11.412 0.236 303 HA THR 40 HA THR 40 8.806 9.756 2.041 304 HB THR 40 HB THR 40 9.646 11.875 1.361 305 HG1 THR 40 HG1 THR 40 8.934 11.683 4.079 306 HG21 THR 40 HG21 THR 40 7.790 13.062 0.777 307 HG22 THR 40 HG22 THR 40 8.412 13.987 2.156 308 HG23 THR 40 HG23 THR 40 7.019 12.871 2.336 309 H THR 41 H THR 41 5.833 9.518 1.873 310 HA THR 41 HA THR 41 5.396 9.014 4.527 311 HB THR 41 HB THR 41 4.727 11.149 4.888 312 HG1 THR 41 HG1 THR 41 2.831 10.843 5.805 313 HG21 THR 41 HG21 THR 41 4.304 11.767 2.475 314 HG22 THR 41 HG22 THR 41 3.300 12.554 3.686 315 HG23 THR 41 HG23 THR 41 2.640 11.209 2.749 316 H GLY 42 H GLY 42 3.632 7.704 4.960 317 HA2 GLY 42 HA3 GLY 42 3.361 5.797 2.863 318 HA3 GLY 42 HA2 GLY 42 2.436 5.732 4.372 319 H SER 43 H SER 43 0.743 7.987 4.303 320 HA SER 43 HA SER 43 -1.183 7.431 2.688 321 HB2 SER 43 HB3 SER 43 -0.235 10.075 3.819 322 HB3 SER 43 HB2 SER 43 -1.898 9.687 3.336 323 HG SER 43 HG SER 43 -0.845 9.353 5.673 324 H ALA 44 H ALA 44 1.440 9.502 2.192 325 HA ALA 44 HA ALA 44 0.733 10.940 -0.141 326 HB1 ALA 44 HB1 ALA 44 3.195 10.719 1.159 327 HB2 ALA 44 HB2 ALA 44 2.791 11.792 -0.190 328 HB3 ALA 44 HB3 ALA 44 3.513 10.210 -0.500 329 H TRP 45 H TRP 45 2.389 7.863 0.007 330 HA TRP 45 HA TRP 45 2.428 7.362 -2.769 331 HB2 TRP 45 HB3 TRP 45 3.759 6.081 -0.942 332 HB3 TRP 45 HB2 TRP 45 2.214 5.369 -0.575 333 HD1 TRP 45 HD1 TRP 45 3.563 5.809 -4.194 334 HE1 TRP 45 HE1 TRP 45 3.658 3.421 -5.195 335 HE3 TRP 45 HE3 TRP 45 2.301 3.076 -0.057 336 HZ2 TRP 45 HZ2 TRP 45 3.320 0.833 -4.372 337 HZ3 TRP 45 HZ3 TRP 45 2.234 0.628 -0.281 338 HH2 TRP 45 HH2 TRP 45 2.730 -0.423 -2.431 339 H PHE 46 H PHE 46 0.179 6.153 -0.309 340 HA PHE 46 HA PHE 46 -1.400 4.847 -2.163 341 HB2 PHE 46 HB3 PHE 46 -2.348 6.265 0.305 342 HB3 PHE 46 HB2 PHE 46 -3.320 5.164 -0.672 343 HD1 PHE 46 HD1 PHE 46 -2.128 2.904 -1.170 344 HD2 PHE 46 HD2 PHE 46 -1.362 5.391 2.248 345 HE1 PHE 46 HE1 PHE 46 -1.470 0.945 0.093 346 HE2 PHE 46 HE2 PHE 46 -0.714 3.393 3.537 347 HZ PHE 46 HZ PHE 46 -0.781 1.134 2.389 348 H SER 47 H SER 47 -1.828 7.897 -0.953 349 HA SER 47 HA SER 47 -3.882 8.852 -2.697 350 HB2 SER 47 HB3 SER 47 -1.832 10.538 -1.302 351 HB3 SER 47 HB2 SER 47 -3.287 11.192 -2.069 352 HG SER 47 HG SER 47 -4.325 9.434 -0.609 353 H PHE 48 H PHE 48 -0.479 8.729 -3.370 354 HA PHE 48 HA PHE 48 -0.620 10.198 -5.861 355 HB2 PHE 48 HB3 PHE 48 1.566 9.853 -4.910 356 HB3 PHE 48 HB2 PHE 48 1.287 8.115 -4.763 357 HD1 PHE 48 HD1 PHE 48 1.095 10.692 -7.502 358 HD2 PHE 48 HD2 PHE 48 2.241 6.820 -6.231 359 HE1 PHE 48 HE1 PHE 48 1.819 10.177 -9.740 360 HE2 PHE 48 HE2 PHE 48 3.001 6.315 -8.503 361 HZ PHE 48 HZ PHE 48 2.781 8.002 -10.265 362 H LEU 49 H LEU 49 -0.428 6.734 -4.978 363 HA LEU 49 HA LEU 49 -0.589 5.548 -7.330 364 HB2 LEU 49 HB3 LEU 49 -0.279 4.996 -4.837 365 HB3 LEU 49 HB2 LEU 49 -1.999 4.607 -4.931 366 HG LEU 49 HG LEU 49 -1.382 2.574 -6.415 367 HD11 LEU 49 HD11 LEU 49 1.451 3.168 -5.976 368 HD12 LEU 49 HD12 LEU 49 0.642 4.165 -7.198 369 HD13 LEU 49 HD13 LEU 49 0.642 2.424 -7.363 370 HD21 LEU 49 HD21 LEU 49 -0.685 1.387 -4.624 371 HD22 LEU 49 HD22 LEU 49 -0.914 2.879 -3.724 372 HD23 LEU 49 HD23 LEU 49 0.673 2.475 -4.333 373 H GLU 50 H GLU 50 -3.115 6.074 -5.083 374 HA GLU 50 HA GLU 50 -5.571 5.595 -6.430 375 HB2 GLU 50 HB3 GLU 50 -5.248 7.960 -4.596 376 HB3 GLU 50 HB2 GLU 50 -6.787 7.404 -5.213 377 HG2 GLU 50 HG3 GLU 50 -6.470 5.306 -3.946 378 HG3 GLU 50 HG2 GLU 50 -4.955 5.977 -3.306 379 H SER 51 H SER 51 -3.960 8.354 -6.304 380 HA SER 51 HA SER 51 -5.474 10.059 -8.057 381 HB2 SER 51 HB3 SER 51 -2.467 10.358 -7.697 382 HB3 SER 51 HB2 SER 51 -3.499 11.522 -8.544 383 HG SER 51 HG SER 51 -3.603 10.711 -5.852 384 H HIS 52 H HIS 52 -3.214 7.564 -8.838 385 HA HIS 52 HA HIS 52 -3.824 8.012 -11.685 386 HB2 HIS 52 HB3 HIS 52 -1.562 6.512 -10.443 387 HB3 HIS 52 HB2 HIS 52 -1.855 6.377 -12.207 388 HD1 HIS 52 HD1 HIS 52 0.369 7.459 -12.845 389 HD2 HIS 52 HD2 HIS 52 -1.779 9.418 -9.986 390 HE1 HIS 52 HE1 HIS 52 1.615 9.662 -12.536 391 H ASN 53 H ASN 53 -3.505 5.545 -12.700 392 HA ASN 53 HA ASN 53 -5.766 4.141 -11.527 393 HB2 ASN 53 HB3 ASN 53 -4.343 3.635 -14.156 394 HB3 ASN 53 HB2 ASN 53 -5.721 2.719 -13.565 395 HD21 ASN 53 HD22 ASN 53 -4.902 4.902 -15.724 396 HD22 ASN 53 HD21 ASN 53 -6.337 5.856 -15.799 397 H LYS 54 H LYS 54 -3.459 4.001 -9.899 398 HA LYS 54 HA LYS 54 -2.776 1.222 -10.468 399 HB2 LYS 54 HB3 LYS 54 -1.052 2.920 -8.629 400 HB3 LYS 54 HB2 LYS 54 -0.740 1.297 -9.169 401 HG2 LYS 54 HG3 LYS 54 -0.481 3.843 -10.795 402 HG3 LYS 54 HG2 LYS 54 0.703 2.619 -10.281 403 HD2 LYS 54 HD3 LYS 54 -1.516 2.069 -12.236 404 HD3 LYS 54 HD2 LYS 54 0.094 2.599 -12.702 405 HE2 LYS 54 HE3 LYS 54 1.047 0.585 -11.660 406 HE3 LYS 54 HE2 LYS 54 -0.573 0.044 -11.217 407 HZ1 LYS 54 HZ1 LYS 54 0.268 0.562 -14.044 408 HZ2 LYS 54 HZ2 LYS 54 -1.177 -0.123 -13.539 409 HZ3 LYS 54 HZ3 LYS 54 0.275 -0.964 -13.362 410 H LEU 55 H LEU 55 -4.689 3.026 -8.443 411 HA LEU 55 HA LEU 55 -5.281 0.643 -7.009 412 HB2 LEU 55 HB3 LEU 55 -3.317 1.173 -5.697 413 HB3 LEU 55 HB2 LEU 55 -3.826 2.819 -5.459 414 HG LEU 55 HG LEU 55 -5.220 0.419 -4.167 415 HD11 LEU 55 HD11 LEU 55 -3.745 2.094 -2.331 416 HD12 LEU 55 HD12 LEU 55 -2.669 1.429 -3.549 417 HD13 LEU 55 HD13 LEU 55 -3.691 0.358 -2.582 418 HD21 LEU 55 HD21 LEU 55 -6.746 2.014 -3.686 419 HD22 LEU 55 HD22 LEU 55 -5.633 3.320 -4.065 420 HD23 LEU 55 HD23 LEU 55 -5.541 2.529 -2.494 421 H ASP 56 H ASP 56 -7.106 0.519 -7.064 422 HA ASP 56 HA ASP 56 -9.181 2.435 -6.692 423 HB2 ASP 56 HB3 ASP 56 -9.241 -0.581 -7.001 424 HB3 ASP 56 HB2 ASP 56 -10.640 0.426 -6.690 425 H LYS 57 H LYS 57 -10.511 2.572 -5.319 426 HA LYS 57 HA LYS 57 -9.798 2.500 -2.597 427 HB2 LYS 57 HB3 LYS 57 -11.912 3.394 -2.243 428 HB3 LYS 57 HB2 LYS 57 -11.607 3.841 -3.899 429 HG2 LYS 57 HG3 LYS 57 -13.204 1.526 -2.940 430 HG3 LYS 57 HG2 LYS 57 -13.894 2.998 -3.642 431 HD2 LYS 57 HD3 LYS 57 -12.099 1.006 -4.839 432 HD3 LYS 57 HD2 LYS 57 -13.863 0.927 -5.087 433 HE2 LYS 57 HE3 LYS 57 -13.544 3.230 -6.251 434 HE3 LYS 57 HE2 LYS 57 -11.808 2.882 -6.100 435 HZ1 LYS 57 HZ1 LYS 57 -11.968 1.790 -8.052 436 HZ2 LYS 57 HZ2 LYS 57 -13.662 1.819 -8.023 437 HZ3 LYS 57 HZ3 LYS 57 -12.873 0.622 -7.207 438 H ASP 58 H ASP 58 -10.309 -0.092 -4.515 439 HA ASP 58 HA ASP 58 -11.197 -1.829 -2.358 440 HB2 ASP 58 HB3 ASP 58 -12.183 -2.159 -5.196 441 HB3 ASP 58 HB2 ASP 58 -12.418 -3.343 -3.931 442 H ASN 59 H ASN 59 -9.425 -1.614 -5.260 443 HA ASN 59 HA ASN 59 -8.523 -4.360 -4.841 444 HB2 ASN 59 HB3 ASN 59 -7.798 -4.295 -6.997 445 HB3 ASN 59 HB2 ASN 59 -8.673 -2.763 -7.099 446 HD21 ASN 59 HD22 ASN 59 -7.587 -1.045 -6.518 447 HD22 ASN 59 HD21 ASN 59 -5.860 -0.833 -6.959 448 H LEU 60 H LEU 60 -6.691 -4.901 -4.141 449 HA LEU 60 HA LEU 60 -4.907 -2.874 -3.004 450 HB2 LEU 60 HB3 LEU 60 -4.613 -4.470 -1.079 451 HB3 LEU 60 HB2 LEU 60 -6.146 -3.654 -1.212 452 HG LEU 60 HG LEU 60 -7.088 -5.739 -2.214 453 HD11 LEU 60 HD11 LEU 60 -5.012 -6.639 -2.985 454 HD12 LEU 60 HD12 LEU 60 -5.985 -7.837 -2.090 455 HD13 LEU 60 HD13 LEU 60 -4.569 -7.071 -1.338 456 HD21 LEU 60 HD21 LEU 60 -6.510 -6.976 0.214 457 HD22 LEU 60 HD22 LEU 60 -7.859 -5.887 -0.175 458 HD23 LEU 60 HD23 LEU 60 -6.374 -5.211 0.488 459 H SER 61 H SER 61 -5.170 -5.377 -4.973 460 HA SER 61 HA SER 61 -3.057 -6.993 -4.767 461 HB2 SER 61 HB3 SER 61 -4.162 -6.012 -7.398 462 HB3 SER 61 HB2 SER 61 -3.241 -7.501 -7.162 463 HG SER 61 HG SER 61 -4.883 -8.357 -6.026 464 H TYR 62 H TYR 62 -2.903 -3.946 -6.283 465 HA TYR 62 HA TYR 62 -0.249 -3.996 -7.309 466 HB2 TYR 62 HB3 TYR 62 -1.788 -2.038 -7.712 467 HB3 TYR 62 HB2 TYR 62 -1.600 -1.584 -6.019 468 HD1 TYR 62 HD1 TYR 62 0.149 -1.791 -9.271 469 HD2 TYR 62 HD2 TYR 62 0.334 -0.395 -5.275 470 HE1 TYR 62 HE1 TYR 62 2.232 -0.562 -9.772 471 HE2 TYR 62 HE2 TYR 62 2.442 0.670 -5.691 472 HH TYR 62 HH TYR 62 4.366 0.187 -7.865 473 H ILE 63 H ILE 63 -1.535 -2.969 -4.253 474 HA ILE 63 HA ILE 63 0.999 -2.398 -3.041 475 HB ILE 63 HB ILE 63 -0.134 -1.378 -1.291 476 HG12 ILE 63 HG13 ILE 63 -2.722 -2.630 -2.183 477 HG13 ILE 63 HG12 ILE 63 -1.767 -3.322 -0.871 478 HG21 ILE 63 HG21 ILE 63 -0.656 -0.984 -3.887 479 HG22 ILE 63 HG22 ILE 63 -0.785 0.215 -2.565 480 HG23 ILE 63 HG23 ILE 63 -2.190 -0.792 -3.063 481 HD11 ILE 63 HD11 ILE 63 -2.303 -0.477 -0.790 482 HD12 ILE 63 HD12 ILE 63 -2.181 -1.645 0.507 483 HD13 ILE 63 HD13 ILE 63 -3.700 -1.527 -0.455 484 H GLU 64 H GLU 64 -1.090 -5.029 -3.101 485 HA GLU 64 HA GLU 64 -0.407 -6.272 -0.572 486 HB2 GLU 64 HB3 GLU 64 -2.476 -6.987 -1.831 487 HB3 GLU 64 HB2 GLU 64 -1.460 -7.589 -3.115 488 HG2 GLU 64 HG3 GLU 64 -0.570 -9.335 -1.659 489 HG3 GLU 64 HG2 GLU 64 -1.485 -8.688 -0.301 490 H HIS 65 H HIS 65 0.662 -6.827 -3.919 491 HA HIS 65 HA HIS 65 2.941 -8.385 -3.484 492 HB2 HIS 65 HB3 HIS 65 1.885 -7.639 -5.670 493 HB3 HIS 65 HB2 HIS 65 2.416 -6.020 -5.273 494 HD1 HIS 65 HD1 HIS 65 3.981 -9.427 -6.014 495 HD2 HIS 65 HD2 HIS 65 4.684 -5.365 -6.354 496 HE1 HIS 65 HE1 HIS 65 6.232 -9.261 -7.109 497 H ILE 66 H ILE 66 2.933 -5.000 -3.702 498 HA ILE 66 HA ILE 66 5.430 -4.487 -3.066 499 HB ILE 66 HB ILE 66 3.187 -2.955 -1.845 500 HG12 ILE 66 HG13 ILE 66 2.941 -3.336 -4.026 501 HG13 ILE 66 HG12 ILE 66 3.266 -1.576 -3.966 502 HG21 ILE 66 HG21 ILE 66 5.211 -2.154 -0.749 503 HG22 ILE 66 HG22 ILE 66 4.827 -0.966 -1.986 504 HG23 ILE 66 HG23 ILE 66 6.112 -2.104 -2.258 505 HD11 ILE 66 HD11 ILE 66 4.343 -3.652 -5.531 506 HD12 ILE 66 HD12 ILE 66 5.647 -3.113 -4.462 507 HD13 ILE 66 HD13 ILE 66 4.797 -1.941 -5.538 508 H PHE 67 H PHE 67 2.894 -4.975 -0.453 509 HA PHE 67 HA PHE 67 4.767 -4.729 1.428 510 HB2 PHE 67 HB3 PHE 67 2.045 -6.010 1.544 511 HB3 PHE 67 HB2 PHE 67 3.071 -5.590 2.928 512 HD1 PHE 67 HD1 PHE 67 4.007 -3.081 2.735 513 HD2 PHE 67 HD2 PHE 67 0.451 -4.601 1.056 514 HE1 PHE 67 HE1 PHE 67 3.115 -0.789 2.637 515 HE2 PHE 67 HE2 PHE 67 -0.485 -2.341 0.953 516 HZ PHE 67 HZ PHE 67 0.852 -0.413 1.717 517 H GLU 68 H GLU 68 3.923 -7.572 -0.636 518 HA GLU 68 HA GLU 68 4.929 -9.557 1.184 519 HB2 GLU 68 HB3 GLU 68 3.290 -10.007 -0.600 520 HB3 GLU 68 HB2 GLU 68 4.417 -9.409 -1.786 521 HG2 GLU 68 HG3 GLU 68 4.426 -11.753 -1.831 522 HG3 GLU 68 HG2 GLU 68 5.951 -11.072 -1.163 523 H ILE 69 H ILE 69 6.103 -8.038 -1.733 524 HA ILE 69 HA ILE 69 8.568 -9.148 -1.587 525 HB ILE 69 HB ILE 69 9.338 -7.547 -3.182 526 HG12 ILE 69 HG13 ILE 69 6.616 -6.281 -2.841 527 HG13 ILE 69 HG12 ILE 69 8.159 -5.522 -2.435 528 HG21 ILE 69 HG21 ILE 69 6.740 -8.138 -4.289 529 HG22 ILE 69 HG22 ILE 69 7.403 -9.493 -3.377 530 HG23 ILE 69 HG23 ILE 69 8.321 -8.808 -4.731 531 HD11 ILE 69 HD11 ILE 69 6.921 -5.075 -4.713 532 HD12 ILE 69 HD12 ILE 69 7.736 -6.590 -5.121 533 HD13 ILE 69 HD13 ILE 69 8.694 -5.187 -4.608 534 H SER 70 H SER 70 7.575 -6.183 -0.119 535 HA SER 70 HA SER 70 10.271 -5.470 0.705 536 HB2 SER 70 HB3 SER 70 7.643 -4.242 1.487 537 HB3 SER 70 HB2 SER 70 9.264 -3.580 1.713 538 HG SER 70 HG SER 70 7.803 -3.954 -0.619 539 H ARG 71 H ARG 71 10.852 -5.281 2.966 540 HA ARG 71 HA ARG 71 9.825 -7.468 4.409 541 HB2 ARG 71 HB3 ARG 71 12.103 -5.686 5.113 542 HB3 ARG 71 HB2 ARG 71 11.551 -6.980 6.176 543 HG2 ARG 71 HG3 ARG 71 12.549 -7.194 3.388 544 HG3 ARG 71 HG2 ARG 71 13.373 -7.801 4.852 545 HD2 ARG 71 HD3 ARG 71 11.327 -9.281 5.176 546 HD3 ARG 71 HD2 ARG 71 10.798 -8.779 3.584 547 HE ARG 71 HE ARG 71 13.456 -9.821 3.690 548 HH11 ARG 71 HH11 ARG 71 10.106 -10.505 2.760 549 HH12 ARG 71 HH12 ARG 71 10.338 -12.152 2.447 550 HH21 ARG 71 HH22 ARG 71 13.788 -12.199 3.351 551 HH22 ARG 71 HH21 ARG 71 12.505 -13.160 2.817 552 H ARG 72 H ARG 72 7.825 -6.381 4.395 553 HA ARG 72 HA ARG 72 7.169 -5.447 7.057 554 HB2 ARG 72 HB3 ARG 72 6.488 -3.973 4.519 555 HB3 ARG 72 HB2 ARG 72 5.609 -3.707 5.997 556 HG2 ARG 72 HG3 ARG 72 8.539 -3.457 5.975 557 HG3 ARG 72 HG2 ARG 72 7.582 -2.114 5.320 558 HD2 ARG 72 HD3 ARG 72 8.274 -1.702 7.626 559 HD3 ARG 72 HD2 ARG 72 6.535 -1.899 7.528 560 HE ARG 72 HE ARG 72 7.545 -4.348 8.341 561 HH11 ARG 72 HH11 ARG 72 7.889 -1.026 9.583 562 HH12 ARG 72 HH12 ARG 72 7.673 -1.445 11.193 563 HH21 ARG 72 HH22 ARG 72 7.212 -4.941 10.575 564 HH22 ARG 72 HH21 ARG 72 7.286 -3.751 11.796 565 HA PRO 73 HA PRO 73 4.398 -8.666 5.029 566 HB2 PRO 73 HB2 PRO 73 4.778 -10.652 6.811 567 HB3 PRO 73 HB3 PRO 73 5.853 -10.415 5.426 568 HG2 PRO 73 HG3 PRO 73 6.166 -9.454 8.217 569 HG3 PRO 73 HG2 PRO 73 7.342 -10.370 7.198 570 HD2 PRO 73 HD3 PRO 73 7.495 -7.726 7.515 571 HD3 PRO 73 HD2 PRO 73 7.838 -8.468 5.938 572 H ASP 74 H ASP 74 4.937 -7.094 7.944 573 HA ASP 74 HA ASP 74 2.759 -7.946 9.595 574 HB2 ASP 74 HB3 ASP 74 4.148 -5.261 9.445 575 HB3 ASP 74 HB2 ASP 74 3.279 -5.873 10.832 576 H LEU 75 H LEU 75 3.436 -5.403 7.578 577 HA LEU 75 HA LEU 75 0.866 -4.144 7.418 578 HB2 LEU 75 HB3 LEU 75 3.226 -3.844 5.539 579 HB3 LEU 75 HB2 LEU 75 1.734 -2.947 5.341 580 HG LEU 75 HG LEU 75 2.200 -1.712 7.481 581 HD11 LEU 75 HD11 LEU 75 3.357 -3.272 8.824 582 HD12 LEU 75 HD12 LEU 75 4.476 -1.969 8.480 583 HD13 LEU 75 HD13 LEU 75 4.608 -3.500 7.619 584 HD21 LEU 75 HD21 LEU 75 3.728 -0.347 6.576 585 HD22 LEU 75 HD22 LEU 75 3.184 -1.201 5.142 586 HD23 LEU 75 HD23 LEU 75 4.702 -1.659 5.909 587 H LEU 76 H LEU 76 2.535 -6.161 5.253 588 HA LEU 76 HA LEU 76 0.635 -6.804 3.156 589 HB2 LEU 76 HB3 LEU 76 2.831 -8.120 3.393 590 HB3 LEU 76 HB2 LEU 76 1.961 -9.059 4.633 591 HG LEU 76 HG LEU 76 0.249 -9.433 2.817 592 HD11 LEU 76 HD11 LEU 76 0.573 -8.310 1.082 593 HD12 LEU 76 HD12 LEU 76 1.382 -9.819 0.595 594 HD13 LEU 76 HD13 LEU 76 2.340 -8.455 1.112 595 HD21 LEU 76 HD21 LEU 76 1.947 -11.359 1.896 596 HD22 LEU 76 HD22 LEU 76 0.963 -11.407 3.365 597 HD23 LEU 76 HD23 LEU 76 2.674 -10.929 3.444 598 H THR 77 H THR 77 1.013 -8.497 6.055 599 HA THR 77 HA THR 77 -1.170 -10.117 6.204 600 HB THR 77 HB THR 77 0.299 -8.725 8.352 601 HG1 THR 77 HG1 THR 77 1.636 -10.144 7.503 602 HG21 THR 77 HG21 THR 77 -1.459 -9.220 9.534 603 HG22 THR 77 HG22 THR 77 -0.632 -10.800 9.684 604 HG23 THR 77 HG23 THR 77 -1.930 -10.580 8.464 605 H MET 78 H MET 78 -1.003 -6.852 7.294 606 HA MET 78 HA MET 78 -3.676 -6.664 8.214 607 HB2 MET 78 HB3 MET 78 -1.871 -4.443 7.245 608 HB3 MET 78 HB2 MET 78 -3.398 -4.191 8.057 609 HG2 MET 78 HG3 MET 78 -1.198 -5.781 9.240 610 HG3 MET 78 HG2 MET 78 -1.308 -4.042 9.526 611 HE1 MET 78 HE1 MET 78 -4.273 -7.260 11.214 612 HE2 MET 78 HE2 MET 78 -2.728 -7.707 10.480 613 HE3 MET 78 HE3 MET 78 -4.028 -7.036 9.488 614 H VAL 79 H VAL 79 -2.295 -6.207 5.043 615 HA VAL 79 HA VAL 79 -4.666 -5.221 3.759 616 HB VAL 79 HB VAL 79 -2.290 -6.731 2.615 617 HG11 VAL 79 HG11 VAL 79 -4.422 -5.084 1.333 618 HG12 VAL 79 HG12 VAL 79 -3.861 -6.705 0.913 619 HG13 VAL 79 HG13 VAL 79 -2.858 -5.300 0.560 620 HG21 VAL 79 HG21 VAL 79 -1.377 -4.529 2.080 621 HG22 VAL 79 HG22 VAL 79 -1.458 -4.891 3.800 622 HG23 VAL 79 HG23 VAL 79 -2.635 -3.779 3.087 623 H VAL 80 H VAL 80 -3.036 -8.323 3.969 624 HA VAL 80 HA VAL 80 -4.913 -10.024 2.683 625 HB VAL 80 HB VAL 80 -2.999 -10.682 4.990 626 HG11 VAL 80 HG11 VAL 80 -4.788 -12.307 4.633 627 HG12 VAL 80 HG12 VAL 80 -3.167 -12.944 4.391 628 HG13 VAL 80 HG13 VAL 80 -4.202 -12.573 2.988 629 HG21 VAL 80 HG21 VAL 80 -1.934 -11.685 2.619 630 HG22 VAL 80 HG22 VAL 80 -1.362 -10.293 3.532 631 HG23 VAL 80 HG23 VAL 80 -2.492 -10.060 2.207 632 H ASP 81 H ASP 81 -4.525 -9.506 5.952 633 HA ASP 81 HA ASP 81 -6.735 -10.894 7.026 634 HB2 ASP 81 HB3 ASP 81 -5.041 -9.945 8.568 635 HB3 ASP 81 HB2 ASP 81 -5.737 -8.336 8.338 636 H TYR 82 H TYR 82 -6.519 -7.618 6.085 637 HA TYR 82 HA TYR 82 -9.080 -6.495 6.587 638 HB2 TYR 82 HB3 TYR 82 -7.350 -5.100 5.818 639 HB3 TYR 82 HB2 TYR 82 -7.141 -6.033 4.337 640 HD1 TYR 82 HD2 TYR 82 -9.764 -3.960 6.083 641 HD2 TYR 82 HD1 TYR 82 -8.086 -5.433 2.483 642 HE1 TYR 82 HE2 TYR 82 -11.233 -2.484 4.798 643 HE2 TYR 82 HE1 TYR 82 -9.574 -4.041 1.184 644 HH TYR 82 HH TYR 82 -11.314 -2.618 1.250 645 H ARG 83 H ARG 83 -7.802 -8.082 3.698 646 HA ARG 83 HA ARG 83 -10.028 -7.963 2.094 647 HB2 ARG 83 HB3 ARG 83 -7.889 -8.254 1.219 648 HB3 ARG 83 HB2 ARG 83 -7.541 -9.588 2.265 649 HG2 ARG 83 HG3 ARG 83 -9.603 -9.936 0.226 650 HG3 ARG 83 HG2 ARG 83 -7.903 -9.907 -0.326 651 HD2 ARG 83 HD3 ARG 83 -7.711 -11.676 1.594 652 HD3 ARG 83 HD2 ARG 83 -9.454 -11.831 1.372 653 HE ARG 83 HE ARG 83 -9.072 -12.948 -0.548 654 HH11 ARG 83 HH11 ARG 83 -6.051 -11.022 0.144 655 HH12 ARG 83 HH12 ARG 83 -5.260 -11.471 -1.258 656 HH21 ARG 83 HH22 ARG 83 -7.812 -13.566 -2.587 657 HH22 ARG 83 HH21 ARG 83 -6.249 -12.888 -2.778 658 H THR 84 H THR 84 -8.976 -10.336 4.033 659 HA THR 84 HA THR 84 -11.129 -12.209 3.773 660 HB THR 84 HB THR 84 -9.409 -11.839 6.177 661 HG1 THR 84 HG1 THR 84 -7.880 -12.313 4.717 662 HG21 THR 84 HG21 THR 84 -9.760 -14.395 6.048 663 HG22 THR 84 HG22 THR 84 -11.134 -13.849 5.033 664 HG23 THR 84 HG23 THR 84 -10.974 -13.240 6.711 665 H ARG 85 H ARG 85 -10.464 -10.409 6.391 666 HA ARG 85 HA ARG 85 -12.636 -10.604 7.945 667 HB2 ARG 85 HB3 ARG 85 -12.227 -8.604 9.304 668 HB3 ARG 85 HB2 ARG 85 -10.749 -9.467 8.962 669 HG2 ARG 85 HG3 ARG 85 -10.179 -7.782 7.234 670 HG3 ARG 85 HG2 ARG 85 -11.657 -6.903 7.616 671 HD2 ARG 85 HD3 ARG 85 -9.447 -7.581 9.490 672 HD3 ARG 85 HD2 ARG 85 -9.727 -6.000 8.675 673 HE ARG 85 HE ARG 85 -10.992 -7.046 11.012 674 HH11 ARG 85 HH11 ARG 85 -11.319 -4.651 8.388 675 HH12 ARG 85 HH12 ARG 85 -12.775 -3.975 8.993 676 HH21 ARG 85 HH22 ARG 85 -13.119 -6.041 11.796 677 HH22 ARG 85 HH21 ARG 85 -13.712 -4.724 10.888 678 H VAL 86 H VAL 86 -12.191 -7.994 5.983 679 HA VAL 86 HA VAL 86 -14.653 -6.853 6.303 680 HB VAL 86 HB VAL 86 -12.784 -6.502 4.012 681 HG11 VAL 86 HG11 VAL 86 -14.233 -4.936 2.998 682 HG12 VAL 86 HG12 VAL 86 -14.670 -4.250 4.553 683 HG13 VAL 86 HG13 VAL 86 -15.483 -5.710 3.978 684 HG21 VAL 86 HG21 VAL 86 -13.325 -5.107 6.593 685 HG22 VAL 86 HG22 VAL 86 -12.507 -4.246 5.293 686 HG23 VAL 86 HG23 VAL 86 -11.818 -5.742 5.941 687 H LEU 87 H LEU 87 -13.532 -9.238 4.141 688 HA LEU 87 HA LEU 87 -15.667 -9.685 2.303 689 HB2 LEU 87 HB3 LEU 87 -13.289 -10.586 2.367 690 HB3 LEU 87 HB2 LEU 87 -13.771 -11.557 3.720 691 HG LEU 87 HG LEU 87 -13.414 -12.881 1.812 692 HD11 LEU 87 HD11 LEU 87 -15.422 -14.181 1.644 693 HD12 LEU 87 HD12 LEU 87 -16.356 -12.840 2.318 694 HD13 LEU 87 HD13 LEU 87 -15.094 -13.626 3.284 695 HD21 LEU 87 HD21 LEU 87 -15.341 -11.082 0.375 696 HD22 LEU 87 HD22 LEU 87 -14.807 -12.653 -0.264 697 HD23 LEU 87 HD23 LEU 87 -13.627 -11.378 0.074 698 H LYS 88 H LYS 88 -14.852 -10.953 5.409 699 HA LYS 88 HA LYS 88 -17.078 -12.579 6.019 700 HB2 LYS 88 HB3 LYS 88 -14.921 -12.758 7.179 701 HB3 LYS 88 HB2 LYS 88 -15.170 -11.173 7.885 702 HG2 LYS 88 HG3 LYS 88 -15.531 -12.925 9.508 703 HG3 LYS 88 HG2 LYS 88 -17.042 -12.067 9.182 704 HD2 LYS 88 HD3 LYS 88 -17.786 -13.893 7.758 705 HD3 LYS 88 HD2 LYS 88 -16.247 -14.711 7.956 706 HE2 LYS 88 HE3 LYS 88 -17.954 -15.677 9.381 707 HE3 LYS 88 HE2 LYS 88 -16.656 -14.968 10.342 708 HZ1 LYS 88 HZ1 LYS 88 -19.373 -13.866 9.838 709 HZ2 LYS 88 HZ2 LYS 88 -18.189 -12.993 10.707 710 HZ3 LYS 88 HZ3 LYS 88 -18.765 -14.453 11.295 711 H ILE 89 H ILE 89 -16.550 -9.122 6.624 712 HA ILE 89 HA ILE 89 -18.815 -8.793 8.267 713 HB ILE 89 HB ILE 89 -16.941 -6.971 6.800 714 HG12 ILE 89 HG13 ILE 89 -17.228 -7.542 9.743 715 HG13 ILE 89 HG12 ILE 89 -15.945 -8.183 8.698 716 HG21 ILE 89 HG21 ILE 89 -18.624 -5.616 6.803 717 HG22 ILE 89 HG22 ILE 89 -17.981 -5.219 8.421 718 HG23 ILE 89 HG23 ILE 89 -19.383 -6.324 8.238 719 HD11 ILE 89 HD11 ILE 89 -16.407 -5.262 9.230 720 HD12 ILE 89 HD12 ILE 89 -15.018 -6.000 8.427 721 HD13 ILE 89 HD13 ILE 89 -15.296 -6.271 10.144 722 H SER 90 H SER 90 -17.914 -7.922 4.975 723 HA SER 90 HA SER 90 -20.561 -6.964 4.364 724 HB2 SER 90 HB3 SER 90 -18.080 -7.179 2.671 725 HB3 SER 90 HB2 SER 90 -19.544 -6.314 2.230 726 HG SER 90 HG SER 90 -17.520 -5.574 3.914 Start of MODEL 13 1 H1 MET 1 H MET 1 -16.215 0.590 0.826 2 H2 MET 1 H2 MET 1 -14.992 -0.217 1.632 3 H3 MET 1 H3 MET 1 -15.987 0.826 2.492 4 HA MET 1 HA MET 1 -13.773 1.397 0.642 5 HB2 MET 1 HB3 MET 1 -16.026 3.282 1.314 6 HB3 MET 1 HB2 MET 1 -14.540 3.766 0.504 7 HG2 MET 1 HG3 MET 1 -15.119 2.322 -1.392 8 HG3 MET 1 HG2 MET 1 -16.606 1.856 -0.556 9 HE1 MET 1 HE1 MET 1 -17.352 2.337 -2.933 10 HE2 MET 1 HE2 MET 1 -16.654 3.731 -3.760 11 HE3 MET 1 HE3 MET 1 -18.313 3.799 -3.168 12 H ALA 2 H ALA 2 -15.517 2.486 3.376 13 HA ALA 2 HA ALA 2 -13.447 4.018 4.503 14 HB1 ALA 2 HB1 ALA 2 -14.988 4.624 6.031 15 HB2 ALA 2 HB2 ALA 2 -14.882 3.034 6.783 16 HB3 ALA 2 HB3 ALA 2 -16.031 3.312 5.477 17 H GLU 3 H GLU 3 -14.230 0.927 5.678 18 HA GLU 3 HA GLU 3 -12.215 0.424 7.312 19 HB2 GLU 3 HB3 GLU 3 -13.072 -1.636 5.274 20 HB3 GLU 3 HB2 GLU 3 -12.231 -1.974 6.788 21 HG2 GLU 3 HG3 GLU 3 -14.869 -0.619 6.586 22 HG3 GLU 3 HG2 GLU 3 -14.691 -2.377 6.862 23 H TYR 4 H TYR 4 -12.153 0.218 4.078 24 HA TYR 4 HA TYR 4 -9.412 -0.539 3.433 25 HB2 TYR 4 HB3 TYR 4 -11.114 -0.489 1.617 26 HB3 TYR 4 HB2 TYR 4 -10.996 1.279 1.566 27 HD1 TYR 4 HD1 TYR 4 -8.595 -1.555 1.716 28 HD2 TYR 4 HD2 TYR 4 -9.761 1.946 -0.464 29 HE1 TYR 4 HE1 TYR 4 -6.811 -1.933 0.131 30 HE2 TYR 4 HE2 TYR 4 -7.971 1.560 -1.999 31 HH TYR 4 HH TYR 4 -6.600 -0.179 -2.790 32 H GLY 5 H GLY 5 -10.953 2.511 3.600 33 HA2 GLY 5 HA3 GLY 5 -8.808 4.343 3.289 34 HA3 GLY 5 HA2 GLY 5 -10.173 4.719 4.341 35 H THR 6 H THR 6 -9.883 2.899 6.414 36 HA THR 6 HA THR 6 -7.699 3.932 7.883 37 HB THR 6 HB THR 6 -9.478 1.565 8.432 38 HG1 THR 6 HG1 THR 6 -9.955 4.167 8.180 39 HG21 THR 6 HG21 THR 6 -8.865 1.897 10.704 40 HG22 THR 6 HG22 THR 6 -8.107 3.453 10.280 41 HG23 THR 6 HG23 THR 6 -7.392 1.932 9.699 42 H LEU 7 H LEU 7 -8.339 0.940 6.375 43 HA LEU 7 HA LEU 7 -6.119 -0.683 6.972 44 HB2 LEU 7 HB3 LEU 7 -7.665 -1.523 5.330 45 HB3 LEU 7 HB2 LEU 7 -7.184 -0.289 4.183 46 HG LEU 7 HG LEU 7 -4.924 -1.303 4.127 47 HD11 LEU 7 HD11 LEU 7 -4.892 -3.743 4.890 48 HD12 LEU 7 HD12 LEU 7 -6.213 -3.231 5.944 49 HD13 LEU 7 HD13 LEU 7 -4.630 -2.447 6.058 50 HD21 LEU 7 HD21 LEU 7 -5.496 -2.934 2.531 51 HD22 LEU 7 HD22 LEU 7 -6.851 -1.793 2.531 52 HD23 LEU 7 HD23 LEU 7 -7.006 -3.313 3.369 53 H LEU 8 H LEU 8 -6.113 1.448 4.423 54 HA LEU 8 HA LEU 8 -3.323 1.509 3.706 55 HB2 LEU 8 HB3 LEU 8 -5.203 3.852 3.351 56 HB3 LEU 8 HB2 LEU 8 -3.519 3.793 2.859 57 HG LEU 8 HG LEU 8 -3.942 2.193 1.152 58 HD11 LEU 8 HD11 LEU 8 -5.571 0.795 2.330 59 HD12 LEU 8 HD12 LEU 8 -6.105 1.215 0.701 60 HD13 LEU 8 HD13 LEU 8 -6.790 2.046 2.105 61 HD21 LEU 8 HD21 LEU 8 -4.799 4.667 1.027 62 HD22 LEU 8 HD22 LEU 8 -6.347 3.874 0.729 63 HD23 LEU 8 HD23 LEU 8 -4.955 3.544 -0.315 64 H GLN 9 H GLN 9 -5.071 3.340 5.963 65 HA GLN 9 HA GLN 9 -2.984 4.974 6.912 66 HB2 GLN 9 HB3 GLN 9 -5.070 5.926 6.911 67 HB3 GLN 9 HB2 GLN 9 -5.828 4.455 7.477 68 HG2 GLN 9 HG3 GLN 9 -5.428 4.760 9.435 69 HG3 GLN 9 HG2 GLN 9 -3.987 5.879 9.333 70 HE21 GLN 9 HE22 GLN 9 -4.543 7.930 9.527 71 HE22 GLN 9 HE21 GLN 9 -6.127 8.617 9.566 72 H ASP 10 H ASP 10 -4.035 2.075 7.621 73 HA ASP 10 HA ASP 10 -2.994 1.840 10.300 74 HB2 ASP 10 HB3 ASP 10 -4.490 -0.306 8.862 75 HB3 ASP 10 HB2 ASP 10 -3.484 -0.679 10.258 76 H LEU 11 H LEU 11 -2.048 0.806 7.160 77 HA LEU 11 HA LEU 11 0.299 -0.352 8.240 78 HB2 LEU 11 HB3 LEU 11 0.978 -0.756 5.971 79 HB3 LEU 11 HB2 LEU 11 -0.596 -1.505 6.321 80 HG LEU 11 HG LEU 11 -1.433 0.643 5.148 81 HD11 LEU 11 HD11 LEU 11 0.042 1.928 4.153 82 HD12 LEU 11 HD12 LEU 11 0.883 0.548 3.421 83 HD13 LEU 11 HD13 LEU 11 1.270 1.055 5.067 84 HD21 LEU 11 HD21 LEU 11 -1.564 -1.815 4.431 85 HD22 LEU 11 HD22 LEU 11 -0.153 -1.503 3.453 86 HD23 LEU 11 HD23 LEU 11 -1.642 -0.616 3.129 87 H THR 12 H THR 12 -0.842 2.476 7.070 88 HA THR 12 HA THR 12 1.523 4.002 6.632 89 HB THR 12 HB THR 12 -1.334 4.702 7.106 90 HG1 THR 12 HG1 THR 12 -1.062 4.063 5.146 91 HG21 THR 12 HG21 THR 12 0.807 6.401 7.586 92 HG22 THR 12 HG22 THR 12 -0.960 6.736 7.566 93 HG23 THR 12 HG23 THR 12 -0.025 6.852 6.035 94 H ASN 13 H ASN 13 -0.419 3.367 9.520 95 HA ASN 13 HA ASN 13 0.920 5.089 11.355 96 HB2 ASN 13 HB3 ASN 13 -0.256 2.354 11.927 97 HB3 ASN 13 HB2 ASN 13 0.193 3.535 13.153 98 HD21 ASN 13 HD22 ASN 13 -2.294 2.106 11.960 99 HD22 ASN 13 HD21 ASN 13 -3.504 3.295 11.939 100 H ASN 14 H ASN 14 1.521 1.923 10.133 101 HA ASN 14 HA ASN 14 3.867 1.555 11.821 102 HB2 ASN 14 HB3 ASN 14 2.495 -0.376 9.900 103 HB3 ASN 14 HB2 ASN 14 3.909 -0.734 10.869 104 HD21 ASN 14 HD22 ASN 14 0.516 -0.679 10.903 105 HD22 ASN 14 HD21 ASN 14 0.314 -0.866 12.602 106 H ILE 15 H ILE 15 3.362 3.114 9.028 107 HA ILE 15 HA ILE 15 5.619 2.157 7.549 108 HB ILE 15 HB ILE 15 3.432 4.108 7.013 109 HG12 ILE 15 HG13 ILE 15 3.296 1.776 6.276 110 HG13 ILE 15 HG12 ILE 15 3.176 2.932 4.960 111 HG21 ILE 15 HG21 ILE 15 5.832 4.111 5.277 112 HG22 ILE 15 HG22 ILE 15 5.504 5.362 6.499 113 HG23 ILE 15 HG23 ILE 15 4.380 5.097 5.152 114 HD11 ILE 15 HD11 ILE 15 4.917 0.755 5.075 115 HD12 ILE 15 HD12 ILE 15 5.951 2.154 5.384 116 HD13 ILE 15 HD13 ILE 15 4.988 2.100 3.936 117 H THR 16 H THR 16 7.563 2.641 8.038 118 HA THR 16 HA THR 16 8.223 5.204 9.133 119 HB THR 16 HB THR 16 10.462 4.343 9.296 120 HG1 THR 16 HG1 THR 16 9.583 1.777 8.533 121 HG21 THR 16 HG21 THR 16 10.142 2.759 10.955 122 HG22 THR 16 HG22 THR 16 8.606 2.276 10.169 123 HG23 THR 16 HG23 THR 16 8.774 3.912 10.919 124 H LEU 17 H LEU 17 9.546 6.356 8.070 125 HA LEU 17 HA LEU 17 9.361 6.559 5.223 126 HB2 LEU 17 HB3 LEU 17 11.660 7.745 6.826 127 HB3 LEU 17 HB2 LEU 17 11.535 7.889 5.075 128 HG LEU 17 HG LEU 17 9.539 9.004 7.074 129 HD11 LEU 17 HD11 LEU 17 10.403 11.166 6.263 130 HD12 LEU 17 HD12 LEU 17 11.652 10.296 5.383 131 HD13 LEU 17 HD13 LEU 17 11.619 10.244 7.157 132 HD21 LEU 17 HD21 LEU 17 8.176 8.951 5.322 133 HD22 LEU 17 HD22 LEU 17 9.473 8.471 4.232 134 HD23 LEU 17 HD23 LEU 17 9.221 10.184 4.614 135 H GLU 18 H GLU 18 11.805 4.947 7.054 136 HA GLU 18 HA GLU 18 13.208 3.896 4.856 137 HB2 GLU 18 HB3 GLU 18 12.856 2.544 7.537 138 HB3 GLU 18 HB2 GLU 18 14.030 2.059 6.318 139 HG2 GLU 18 HG3 GLU 18 15.138 4.214 6.551 140 HG3 GLU 18 HG2 GLU 18 13.971 4.717 7.758 141 H ASP 19 H ASP 19 10.620 2.522 6.565 142 HA ASP 19 HA ASP 19 10.197 0.183 4.943 143 HB2 ASP 19 HB3 ASP 19 8.141 1.717 6.568 144 HB3 ASP 19 HB2 ASP 19 7.658 0.266 5.644 145 H LEU 20 H LEU 20 8.491 3.274 4.542 146 HA LEU 20 HA LEU 20 7.591 2.674 2.098 147 HB2 LEU 20 HB3 LEU 20 8.349 5.286 3.149 148 HB3 LEU 20 HB2 LEU 20 7.904 5.143 1.450 149 HG LEU 20 HG LEU 20 6.174 4.397 3.791 150 HD11 LEU 20 HD11 LEU 20 4.926 6.269 2.246 151 HD12 LEU 20 HD12 LEU 20 6.613 6.777 2.159 152 HD13 LEU 20 HD13 LEU 20 5.820 6.634 3.720 153 HD21 LEU 20 HD21 LEU 20 5.582 2.870 2.091 154 HD22 LEU 20 HD22 LEU 20 5.844 4.032 0.804 155 HD23 LEU 20 HD23 LEU 20 4.453 4.180 1.859 156 H GLU 21 H GLU 21 10.764 3.934 2.731 157 HA GLU 21 HA GLU 21 11.719 4.223 0.116 158 HB2 GLU 21 HB3 GLU 21 13.083 3.230 2.618 159 HB3 GLU 21 HB2 GLU 21 13.957 3.498 1.120 160 HG2 GLU 21 HG3 GLU 21 12.373 5.606 2.505 161 HG3 GLU 21 HG2 GLU 21 14.086 5.332 2.864 162 H GLN 22 H GLN 22 11.454 1.610 2.193 163 HA GLN 22 HA GLN 22 12.698 -0.355 0.549 164 HB2 GLN 22 HB3 GLN 22 12.522 -0.593 3.025 165 HB3 GLN 22 HB2 GLN 22 10.805 -0.931 2.791 166 HG2 GLN 22 HG3 GLN 22 11.994 -3.057 3.008 167 HG3 GLN 22 HG2 GLN 22 11.427 -2.747 1.331 168 HE21 GLN 22 HE22 GLN 22 12.639 -3.428 0.000 169 HE22 GLN 22 HE21 GLN 22 14.375 -3.373 -0.034 170 H LEU 23 H LEU 23 9.177 0.319 1.150 171 HA LEU 23 HA LEU 23 8.209 -1.533 -0.613 172 HB2 LEU 23 HB3 LEU 23 7.180 1.234 0.145 173 HB3 LEU 23 HB2 LEU 23 6.233 -0.020 -0.622 174 HG LEU 23 HG LEU 23 7.407 -0.045 2.112 175 HD11 LEU 23 HD11 LEU 23 5.155 0.255 2.879 176 HD12 LEU 23 HD12 LEU 23 4.551 0.095 1.227 177 HD13 LEU 23 HD13 LEU 23 5.536 1.494 1.680 178 HD21 LEU 23 HD21 LEU 23 5.493 -2.014 2.030 179 HD22 LEU 23 HD22 LEU 23 7.228 -2.241 2.011 180 HD23 LEU 23 HD23 LEU 23 6.345 -2.205 0.498 181 H LYS 24 H LYS 24 9.230 1.599 -0.936 182 HA LYS 24 HA LYS 24 8.677 2.068 -3.742 183 HB2 LYS 24 HB3 LYS 24 10.870 3.450 -2.160 184 HB3 LYS 24 HB2 LYS 24 10.439 3.906 -3.786 185 HG2 LYS 24 HG3 LYS 24 8.591 4.105 -1.373 186 HG3 LYS 24 HG2 LYS 24 9.474 5.454 -2.067 187 HD2 LYS 24 HD3 LYS 24 7.200 5.571 -2.779 188 HD3 LYS 24 HD2 LYS 24 8.153 5.076 -4.163 189 HE2 LYS 24 HE3 LYS 24 6.074 3.787 -4.015 190 HE3 LYS 24 HE2 LYS 24 7.486 2.750 -3.777 191 HZ1 LYS 24 HZ1 LYS 24 5.337 3.339 -2.039 192 HZ2 LYS 24 HZ2 LYS 24 6.824 3.595 -1.255 193 HZ3 LYS 24 HZ3 LYS 24 6.462 2.081 -1.949 194 H SER 25 H SER 25 11.178 1.095 -2.303 195 HA SER 25 HA SER 25 13.139 0.312 -4.305 196 HB2 SER 25 HB3 SER 25 12.868 -1.209 -1.643 197 HB3 SER 25 HB2 SER 25 14.209 -1.392 -2.788 198 HG SER 25 HG SER 25 13.430 0.969 -1.417 199 H ALA 26 H ALA 26 10.844 -1.518 -2.808 200 HA ALA 26 HA ALA 26 10.917 -3.713 -4.591 201 HB1 ALA 26 HB1 ALA 26 9.078 -2.851 -2.461 202 HB2 ALA 26 HB2 ALA 26 9.693 -4.462 -2.821 203 HB3 ALA 26 HB3 ALA 26 8.337 -3.799 -3.746 204 H CYS 27 H CYS 27 8.726 -0.883 -4.445 205 HA CYS 27 HA CYS 27 7.341 -1.461 -6.810 206 HB2 CYS 27 HB3 CYS 27 7.675 1.175 -5.456 207 HB3 CYS 27 HB2 CYS 27 6.510 0.671 -6.684 208 HG CYS 27 HG CYS 27 4.769 -0.312 -5.124 209 H LYS 28 H LYS 28 10.536 -0.482 -6.685 210 HA LYS 28 HA LYS 28 10.662 1.853 -7.954 211 HB2 LYS 28 HB3 LYS 28 12.936 1.291 -8.690 212 HB3 LYS 28 HB2 LYS 28 12.586 0.611 -7.094 213 HG2 LYS 28 HG3 LYS 28 12.320 -1.560 -7.965 214 HG3 LYS 28 HG2 LYS 28 12.398 -0.952 -9.619 215 HD2 LYS 28 HD3 LYS 28 14.718 -0.270 -9.268 216 HD3 LYS 28 HD2 LYS 28 14.664 -0.896 -7.617 217 HE2 LYS 28 HE3 LYS 28 14.225 -3.131 -8.444 218 HE3 LYS 28 HE2 LYS 28 14.156 -2.522 -10.090 219 HZ1 LYS 28 HZ1 LYS 28 16.271 -2.912 -10.240 220 HZ2 LYS 28 HZ2 LYS 28 16.428 -3.356 -8.623 221 HZ3 LYS 28 HZ3 LYS 28 16.614 -1.735 -9.077 222 H GLU 29 H GLU 29 10.132 -1.188 -9.570 223 HA GLU 29 HA GLU 29 10.319 -0.088 -12.168 224 HB2 GLU 29 HB3 GLU 29 9.177 -2.721 -11.255 225 HB3 GLU 29 HB2 GLU 29 9.538 -2.279 -12.928 226 HG2 GLU 29 HG3 GLU 29 11.898 -1.930 -12.360 227 HG3 GLU 29 HG2 GLU 29 11.570 -2.435 -10.708 228 H ASP 30 H ASP 30 7.594 -0.696 -9.991 229 HA ASP 30 HA ASP 30 5.793 0.190 -12.053 230 HB2 ASP 30 HB3 ASP 30 5.215 -1.030 -9.457 231 HB3 ASP 30 HB2 ASP 30 3.960 -0.039 -10.172 232 H ILE 31 H ILE 31 6.782 1.600 -8.987 233 HA ILE 31 HA ILE 31 4.981 3.732 -9.759 234 HB ILE 31 HB ILE 31 4.904 2.787 -7.390 235 HG12 ILE 31 HG13 ILE 31 3.974 5.034 -7.814 236 HG13 ILE 31 HG12 ILE 31 4.594 4.849 -6.185 237 HG21 ILE 31 HG21 ILE 31 6.431 3.405 -5.789 238 HG22 ILE 31 HG22 ILE 31 7.411 4.310 -6.962 239 HG23 ILE 31 HG23 ILE 31 7.287 2.526 -7.064 240 HD11 ILE 31 HD11 ILE 31 5.972 6.498 -6.401 241 HD12 ILE 31 HD12 ILE 31 5.128 6.954 -7.901 242 HD13 ILE 31 HD13 ILE 31 6.559 5.887 -7.978 243 HA PRO 32 HA PRO 32 8.241 5.532 -11.708 244 HB2 PRO 32 HB2 PRO 32 6.898 8.141 -11.182 245 HB3 PRO 32 HB3 PRO 32 7.505 7.479 -12.703 246 HG2 PRO 32 HG3 PRO 32 4.918 7.422 -12.108 247 HG3 PRO 32 HG2 PRO 32 5.701 6.048 -12.946 248 HD2 PRO 32 HD3 PRO 32 4.879 6.375 -10.106 249 HD3 PRO 32 HD2 PRO 32 4.774 4.923 -11.150 250 H SER 33 H SER 33 9.979 6.332 -11.351 251 HA SER 33 HA SER 33 11.297 6.769 -8.838 252 HB2 SER 33 HB3 SER 33 12.571 6.261 -10.934 253 HB3 SER 33 HB2 SER 33 12.248 7.904 -11.499 254 HG SER 33 HG SER 33 13.345 8.277 -9.207 255 H GLU 34 H GLU 34 10.423 9.077 -11.209 256 HA GLU 34 HA GLU 34 10.724 11.584 -10.237 257 HB2 GLU 34 HB3 GLU 34 9.776 10.989 -12.416 258 HB3 GLU 34 HB2 GLU 34 8.296 10.489 -11.641 259 HG2 GLU 34 HG3 GLU 34 7.888 12.803 -10.960 260 HG3 GLU 34 HG2 GLU 34 9.352 13.307 -11.824 261 H LYS 35 H LYS 35 8.054 9.711 -9.843 262 HA LYS 35 HA LYS 35 6.718 11.286 -7.908 263 HB2 LYS 35 HB3 LYS 35 6.021 8.552 -8.951 264 HB3 LYS 35 HB2 LYS 35 4.977 9.448 -7.837 265 HG2 LYS 35 HG3 LYS 35 5.900 10.487 -10.489 266 HG3 LYS 35 HG2 LYS 35 4.319 9.721 -10.199 267 HD2 LYS 35 HD3 LYS 35 3.886 11.306 -8.481 268 HD3 LYS 35 HD2 LYS 35 5.419 12.128 -8.786 269 HE2 LYS 35 HE3 LYS 35 3.081 11.936 -10.736 270 HE3 LYS 35 HE2 LYS 35 3.556 13.365 -9.848 271 HZ1 LYS 35 HZ1 LYS 35 4.850 13.866 -11.593 272 HZ2 LYS 35 HZ2 LYS 35 4.552 12.368 -12.312 273 HZ3 LYS 35 HZ3 LYS 35 5.810 12.533 -11.216 274 H SER 36 H SER 36 8.262 8.207 -7.506 275 HA SER 36 HA SER 36 7.949 7.732 -4.839 276 HB2 SER 36 HB3 SER 36 9.114 6.213 -6.300 277 HB3 SER 36 HB2 SER 36 10.480 7.300 -6.463 278 HG SER 36 HG SER 36 10.785 6.975 -4.135 279 H GLU 37 H GLU 37 9.685 10.123 -6.148 280 HA GLU 37 HA GLU 37 11.504 11.107 -4.097 281 HB2 GLU 37 HB3 GLU 37 10.035 12.688 -6.191 282 HB3 GLU 37 HB2 GLU 37 11.262 13.365 -5.117 283 HG2 GLU 37 HG3 GLU 37 11.716 11.052 -6.930 284 HG3 GLU 37 HG2 GLU 37 12.037 12.731 -7.397 285 H GLU 38 H GLU 38 8.397 11.846 -4.811 286 HA GLU 38 HA GLU 38 7.951 13.693 -2.592 287 HB2 GLU 38 HB3 GLU 38 5.683 14.213 -3.343 288 HB3 GLU 38 HB2 GLU 38 6.881 14.381 -4.613 289 HG2 GLU 38 HG3 GLU 38 6.202 12.221 -5.524 290 HG3 GLU 38 HG2 GLU 38 4.964 12.086 -4.287 291 H ILE 39 H ILE 39 7.684 10.500 -2.666 292 HA ILE 39 HA ILE 39 5.419 10.186 -0.968 293 HB ILE 39 HB ILE 39 7.396 8.156 -2.027 294 HG12 ILE 39 HG13 ILE 39 4.572 8.850 -2.806 295 HG13 ILE 39 HG12 ILE 39 6.031 9.284 -3.706 296 HG21 ILE 39 HG21 ILE 39 4.908 7.038 -1.430 297 HG22 ILE 39 HG22 ILE 39 5.492 7.825 0.061 298 HG23 ILE 39 HG23 ILE 39 6.463 6.575 -0.737 299 HD11 ILE 39 HD11 ILE 39 5.357 6.470 -3.069 300 HD12 ILE 39 HD12 ILE 39 6.354 7.103 -4.379 301 HD13 ILE 39 HD13 ILE 39 4.600 7.328 -4.423 302 H THR 40 H THR 40 6.779 11.733 0.458 303 HA THR 40 HA THR 40 8.316 10.274 2.466 304 HB THR 40 HB THR 40 9.375 12.233 1.906 305 HG1 THR 40 HG1 THR 40 8.217 12.359 4.382 306 HG21 THR 40 HG21 THR 40 6.756 13.681 2.201 307 HG22 THR 40 HG22 THR 40 7.579 13.290 0.698 308 HG23 THR 40 HG23 THR 40 8.309 14.474 1.808 309 H THR 41 H THR 41 5.464 9.786 2.270 310 HA THR 41 HA THR 41 5.056 9.445 4.922 311 HB THR 41 HB THR 41 4.235 11.531 5.161 312 HG1 THR 41 HG1 THR 41 2.233 11.166 6.036 313 HG21 THR 41 HG21 THR 41 2.988 11.256 2.560 314 HG22 THR 41 HG22 THR 41 3.531 12.702 3.397 315 HG23 THR 41 HG23 THR 41 1.936 12.040 3.750 316 H GLY 42 H GLY 42 3.399 8.017 5.386 317 HA2 GLY 42 HA3 GLY 42 3.315 6.034 3.355 318 HA3 GLY 42 HA2 GLY 42 2.298 5.957 4.801 319 H SER 43 H SER 43 0.592 8.156 4.542 320 HA SER 43 HA SER 43 -1.237 7.550 2.754 321 HB2 SER 43 HB3 SER 43 -0.453 10.230 3.914 322 HB3 SER 43 HB2 SER 43 -2.047 9.807 3.294 323 HG SER 43 HG SER 43 -1.907 9.621 5.566 324 H ALA 44 H ALA 44 1.502 9.573 2.395 325 HA ALA 44 HA ALA 44 0.914 10.990 0.031 326 HB1 ALA 44 HB1 ALA 44 3.338 11.144 -0.538 327 HB2 ALA 44 HB2 ALA 44 3.687 9.975 0.727 328 HB3 ALA 44 HB3 ALA 44 3.012 11.538 1.150 329 H TRP 45 H TRP 45 2.507 7.858 0.264 330 HA TRP 45 HA TRP 45 2.602 7.319 -2.507 331 HB2 TRP 45 HB3 TRP 45 3.772 6.003 -0.565 332 HB3 TRP 45 HB2 TRP 45 2.199 5.357 -0.274 333 HD1 TRP 45 HD1 TRP 45 3.772 5.629 -3.823 334 HE1 TRP 45 HE1 TRP 45 3.837 3.192 -4.755 335 HE3 TRP 45 HE3 TRP 45 2.279 3.021 0.301 336 HZ2 TRP 45 HZ2 TRP 45 3.482 0.714 -3.952 337 HZ3 TRP 45 HZ3 TRP 45 2.201 0.573 0.134 338 HH2 TRP 45 HH2 TRP 45 2.818 -0.555 -1.990 339 H PHE 46 H PHE 46 0.274 6.273 -0.151 340 HA PHE 46 HA PHE 46 -1.349 5.075 -2.032 341 HB2 PHE 46 HB3 PHE 46 -2.338 6.458 0.453 342 HB3 PHE 46 HB2 PHE 46 -3.284 5.396 -0.591 343 HD1 PHE 46 HD1 PHE 46 -2.155 3.121 -1.120 344 HD2 PHE 46 HD2 PHE 46 -1.352 5.507 2.342 345 HE1 PHE 46 HE1 PHE 46 -1.497 1.129 0.107 346 HE2 PHE 46 HE2 PHE 46 -0.728 3.517 3.559 347 HZ PHE 46 HZ PHE 46 -0.794 1.291 2.388 348 H SER 47 H SER 47 -1.662 8.169 -0.792 349 HA SER 47 HA SER 47 -3.743 9.228 -2.499 350 HB2 SER 47 HB3 SER 47 -1.593 10.895 -1.159 351 HB3 SER 47 HB2 SER 47 -3.107 11.518 -1.804 352 HG SER 47 HG SER 47 -3.956 9.711 -0.275 353 H PHE 48 H PHE 48 -0.370 9.056 -3.228 354 HA PHE 48 HA PHE 48 -0.574 10.513 -5.708 355 HB2 PHE 48 HB3 PHE 48 1.651 10.186 -4.888 356 HB3 PHE 48 HB2 PHE 48 1.355 8.448 -4.633 357 HD1 PHE 48 HD1 PHE 48 1.102 10.884 -7.514 358 HD2 PHE 48 HD2 PHE 48 2.296 7.057 -6.090 359 HE1 PHE 48 HE1 PHE 48 1.754 10.254 -9.744 360 HE2 PHE 48 HE2 PHE 48 2.991 6.431 -8.336 361 HZ PHE 48 HZ PHE 48 2.717 8.013 -10.189 362 H LEU 49 H LEU 49 -0.348 7.046 -4.742 363 HA LEU 49 HA LEU 49 -0.605 5.868 -7.086 364 HB2 LEU 49 HB3 LEU 49 -0.187 5.265 -4.618 365 HB3 LEU 49 HB2 LEU 49 -1.910 4.879 -4.640 366 HG LEU 49 HG LEU 49 -1.424 3.126 -6.431 367 HD11 LEU 49 HD11 LEU 49 0.799 4.724 -6.728 368 HD12 LEU 49 HD12 LEU 49 0.529 3.169 -7.499 369 HD13 LEU 49 HD13 LEU 49 1.440 3.264 -5.989 370 HD21 LEU 49 HD21 LEU 49 0.511 2.743 -4.164 371 HD22 LEU 49 HD22 LEU 49 -0.528 1.556 -4.948 372 HD23 LEU 49 HD23 LEU 49 -1.222 2.753 -3.859 373 H GLU 50 H GLU 50 -3.067 6.342 -4.727 374 HA GLU 50 HA GLU 50 -5.501 5.700 -5.936 375 HB2 GLU 50 HB3 GLU 50 -5.297 8.215 -4.241 376 HB3 GLU 50 HB2 GLU 50 -6.803 7.424 -4.690 377 HG2 GLU 50 HG3 GLU 50 -6.130 5.489 -3.320 378 HG3 GLU 50 HG2 GLU 50 -4.639 6.321 -2.913 379 H SER 51 H SER 51 -4.070 8.436 -6.070 380 HA SER 51 HA SER 51 -5.691 10.021 -7.867 381 HB2 SER 51 HB3 SER 51 -2.693 10.436 -7.750 382 HB3 SER 51 HB2 SER 51 -3.808 11.528 -8.568 383 HG SER 51 HG SER 51 -3.626 10.937 -5.815 384 H HIS 52 H HIS 52 -3.329 7.592 -8.633 385 HA HIS 52 HA HIS 52 -4.126 7.648 -11.487 386 HB2 HIS 52 HB3 HIS 52 -1.660 6.441 -10.237 387 HB3 HIS 52 HB2 HIS 52 -2.055 6.204 -11.968 388 HD1 HIS 52 HD1 HIS 52 0.113 7.396 -12.788 389 HD2 HIS 52 HD2 HIS 52 -2.029 9.363 -9.906 390 HE1 HIS 52 HE1 HIS 52 1.320 9.586 -12.526 391 H ASN 53 H ASN 53 -4.421 5.422 -12.498 392 HA ASN 53 HA ASN 53 -5.852 3.956 -10.509 393 HB2 ASN 53 HB3 ASN 53 -7.035 4.387 -12.660 394 HB3 ASN 53 HB2 ASN 53 -5.865 3.350 -13.478 395 HD21 ASN 53 HD22 ASN 53 -8.812 3.501 -11.894 396 HD22 ASN 53 HD21 ASN 53 -9.125 1.817 -11.638 397 H LYS 54 H LYS 54 -3.684 3.677 -9.581 398 HA LYS 54 HA LYS 54 -2.496 1.080 -10.290 399 HB2 LYS 54 HB3 LYS 54 -1.588 3.023 -8.163 400 HB3 LYS 54 HB2 LYS 54 -0.838 1.515 -8.617 401 HG2 LYS 54 HG3 LYS 54 -1.008 3.979 -10.379 402 HG3 LYS 54 HG2 LYS 54 0.411 3.369 -9.500 403 HD2 LYS 54 HD3 LYS 54 -1.098 1.824 -11.527 404 HD3 LYS 54 HD2 LYS 54 0.352 2.753 -11.938 405 HE2 LYS 54 HE3 LYS 54 1.637 1.374 -10.283 406 HE3 LYS 54 HE2 LYS 54 0.173 0.466 -9.952 407 HZ1 LYS 54 HZ1 LYS 54 0.939 0.513 -12.759 408 HZ2 LYS 54 HZ2 LYS 54 0.397 -0.778 -11.803 409 HZ3 LYS 54 HZ3 LYS 54 2.007 -0.343 -11.744 410 H LEU 55 H LEU 55 -4.612 2.730 -8.208 411 HA LEU 55 HA LEU 55 -5.269 0.332 -6.766 412 HB2 LEU 55 HB3 LEU 55 -3.260 0.954 -5.579 413 HB3 LEU 55 HB2 LEU 55 -3.768 2.592 -5.421 414 HG LEU 55 HG LEU 55 -5.174 0.299 -4.010 415 HD11 LEU 55 HD11 LEU 55 -2.921 0.312 -3.205 416 HD12 LEU 55 HD12 LEU 55 -3.850 1.197 -2.000 417 HD13 LEU 55 HD13 LEU 55 -2.847 2.073 -3.152 418 HD21 LEU 55 HD21 LEU 55 -5.280 2.576 -2.384 419 HD22 LEU 55 HD22 LEU 55 -6.603 1.964 -3.380 420 HD23 LEU 55 HD23 LEU 55 -5.523 3.192 -4.022 421 H ASP 56 H ASP 56 -7.168 0.423 -7.021 422 HA ASP 56 HA ASP 56 -8.937 2.652 -6.558 423 HB2 ASP 56 HB3 ASP 56 -9.550 -0.240 -7.080 424 HB3 ASP 56 HB2 ASP 56 -10.775 0.954 -6.714 425 H LYS 57 H LYS 57 -10.778 2.084 -5.291 426 HA LYS 57 HA LYS 57 -10.161 1.672 -2.594 427 HB2 LYS 57 HB3 LYS 57 -12.779 1.473 -2.438 428 HB3 LYS 57 HB2 LYS 57 -11.979 3.016 -2.678 429 HG2 LYS 57 HG3 LYS 57 -13.971 2.652 -4.097 430 HG3 LYS 57 HG2 LYS 57 -12.429 2.964 -4.975 431 HD2 LYS 57 HD3 LYS 57 -12.206 0.754 -5.474 432 HD3 LYS 57 HD2 LYS 57 -13.592 0.283 -4.502 433 HE2 LYS 57 HE3 LYS 57 -13.721 2.007 -6.986 434 HE3 LYS 57 HE2 LYS 57 -14.154 0.296 -6.925 435 HZ1 LYS 57 HZ1 LYS 57 -15.493 1.931 -4.976 436 HZ2 LYS 57 HZ2 LYS 57 -16.055 0.708 -5.983 437 HZ3 LYS 57 HZ3 LYS 57 -15.891 2.269 -6.601 438 H ASP 58 H ASP 58 -11.026 -0.508 -5.172 439 HA ASP 58 HA ASP 58 -11.554 -2.528 -3.262 440 HB2 ASP 58 HB3 ASP 58 -12.190 -2.468 -6.190 441 HB3 ASP 58 HB2 ASP 58 -12.168 -4.015 -5.355 442 H ASN 59 H ASN 59 -9.525 -1.709 -5.898 443 HA ASN 59 HA ASN 59 -8.053 -4.168 -5.889 444 HB2 ASN 59 HB3 ASN 59 -7.726 -1.641 -7.464 445 HB3 ASN 59 HB2 ASN 59 -6.840 -3.136 -7.767 446 HD21 ASN 59 HD22 ASN 59 -9.529 -1.409 -8.443 447 HD22 ASN 59 HD21 ASN 59 -10.488 -2.633 -9.187 448 H LEU 60 H LEU 60 -6.440 -4.535 -4.875 449 HA LEU 60 HA LEU 60 -4.568 -2.444 -3.966 450 HB2 LEU 60 HB3 LEU 60 -4.371 -3.328 -1.723 451 HB3 LEU 60 HB2 LEU 60 -6.010 -2.872 -2.065 452 HG LEU 60 HG LEU 60 -4.877 -5.636 -1.793 453 HD11 LEU 60 HD11 LEU 60 -6.250 -3.775 -0.049 454 HD12 LEU 60 HD12 LEU 60 -5.221 -5.155 0.339 455 HD13 LEU 60 HD13 LEU 60 -6.939 -5.405 -0.018 456 HD21 LEU 60 HD21 LEU 60 -7.692 -5.706 -1.766 457 HD22 LEU 60 HD22 LEU 60 -6.583 -6.490 -2.906 458 HD23 LEU 60 HD23 LEU 60 -7.175 -4.859 -3.234 459 H SER 61 H SER 61 -4.905 -5.378 -5.226 460 HA SER 61 HA SER 61 -2.958 -7.080 -4.573 461 HB2 SER 61 HB3 SER 61 -3.638 -6.521 -7.472 462 HB3 SER 61 HB2 SER 61 -3.024 -8.040 -6.807 463 HG SER 61 HG SER 61 -4.923 -8.508 -6.079 464 H TYR 62 H TYR 62 -2.420 -4.391 -6.453 465 HA TYR 62 HA TYR 62 0.342 -4.761 -7.152 466 HB2 TYR 62 HB3 TYR 62 -0.661 -2.984 -8.342 467 HB3 TYR 62 HB2 TYR 62 -1.312 -2.272 -6.876 468 HD1 TYR 62 HD2 TYR 62 2.212 -3.306 -7.474 469 HD2 TYR 62 HD1 TYR 62 -0.520 -0.105 -6.946 470 HE1 TYR 62 HE2 TYR 62 4.114 -1.742 -7.222 471 HE2 TYR 62 HE1 TYR 62 1.363 1.473 -6.768 472 HH TYR 62 HH TYR 62 4.403 0.824 -7.668 473 H ILE 63 H ILE 63 -1.118 -3.116 -4.425 474 HA ILE 63 HA ILE 63 1.420 -2.492 -3.226 475 HB ILE 63 HB ILE 63 0.274 -1.283 -1.606 476 HG12 ILE 63 HG13 ILE 63 -2.307 -2.612 -2.377 477 HG13 ILE 63 HG12 ILE 63 -1.335 -3.166 -1.002 478 HG21 ILE 63 HG21 ILE 63 0.105 -0.541 -3.917 479 HG22 ILE 63 HG22 ILE 63 -1.076 0.087 -2.732 480 HG23 ILE 63 HG23 ILE 63 -1.528 -1.223 -3.875 481 HD11 ILE 63 HD11 ILE 63 -3.047 -1.712 -0.182 482 HD12 ILE 63 HD12 ILE 63 -2.534 -0.457 -1.351 483 HD13 ILE 63 HD13 ILE 63 -1.422 -0.970 -0.087 484 H GLU 64 H GLU 64 -0.889 -4.954 -3.135 485 HA GLU 64 HA GLU 64 -0.458 -6.160 -0.526 486 HB2 GLU 64 HB3 GLU 64 -2.352 -6.708 -2.153 487 HB3 GLU 64 HB2 GLU 64 -1.151 -7.455 -3.186 488 HG2 GLU 64 HG3 GLU 64 -0.698 -9.073 -1.294 489 HG3 GLU 64 HG2 GLU 64 -2.098 -8.334 -0.493 490 H HIS 65 H HIS 65 0.732 -7.033 -3.714 491 HA HIS 65 HA HIS 65 2.899 -8.721 -3.016 492 HB2 HIS 65 HB3 HIS 65 1.914 -8.260 -5.275 493 HB3 HIS 65 HB2 HIS 65 2.550 -6.633 -5.102 494 HD1 HIS 65 HD1 HIS 65 4.221 -10.116 -4.901 495 HD2 HIS 65 HD2 HIS 65 4.667 -6.281 -6.461 496 HE1 HIS 65 HE1 HIS 65 6.194 -10.272 -6.408 497 H ILE 66 H ILE 66 3.073 -5.338 -3.587 498 HA ILE 66 HA ILE 66 5.602 -5.009 -3.028 499 HB ILE 66 HB ILE 66 3.481 -3.183 -2.020 500 HG12 ILE 66 HG13 ILE 66 3.363 -3.790 -4.225 501 HG13 ILE 66 HG12 ILE 66 3.690 -2.026 -4.220 502 HG21 ILE 66 HG21 ILE 66 6.450 -2.799 -1.999 503 HG22 ILE 66 HG22 ILE 66 5.221 -2.213 -0.908 504 HG23 ILE 66 HG23 ILE 66 5.475 -1.391 -2.440 505 HD11 ILE 66 HD11 ILE 66 5.035 -2.667 -5.841 506 HD12 ILE 66 HD12 ILE 66 5.060 -4.346 -5.310 507 HD13 ILE 66 HD13 ILE 66 6.148 -3.152 -4.538 508 H PHE 67 H PHE 67 3.031 -5.150 -0.413 509 HA PHE 67 HA PHE 67 4.886 -4.779 1.454 510 HB2 PHE 67 HB3 PHE 67 2.152 -6.023 1.576 511 HB3 PHE 67 HB2 PHE 67 3.118 -5.570 2.991 512 HD1 PHE 67 HD1 PHE 67 4.130 -3.060 2.671 513 HD2 PHE 67 HD2 PHE 67 0.575 -4.605 1.032 514 HE1 PHE 67 HE1 PHE 67 3.277 -0.755 2.431 515 HE2 PHE 67 HE2 PHE 67 -0.319 -2.301 0.788 516 HZ PHE 67 HZ PHE 67 1.049 -0.387 1.500 517 H GLU 68 H GLU 68 4.034 -7.703 -0.406 518 HA GLU 68 HA GLU 68 4.914 -9.734 1.384 519 HB2 GLU 68 HB3 GLU 68 3.402 -10.114 -0.484 520 HB3 GLU 68 HB2 GLU 68 4.566 -9.398 -1.599 521 HG2 GLU 68 HG3 GLU 68 6.069 -11.328 -1.150 522 HG3 GLU 68 HG2 GLU 68 4.787 -12.044 -0.162 523 H ILE 69 H ILE 69 6.210 -8.333 -1.507 524 HA ILE 69 HA ILE 69 8.656 -9.510 -1.302 525 HB ILE 69 HB ILE 69 9.421 -8.078 -3.101 526 HG12 ILE 69 HG13 ILE 69 6.722 -6.780 -2.770 527 HG13 ILE 69 HG12 ILE 69 8.279 -6.001 -2.514 528 HG21 ILE 69 HG21 ILE 69 6.666 -8.870 -3.788 529 HG22 ILE 69 HG22 ILE 69 7.734 -10.113 -3.113 530 HG23 ILE 69 HG23 ILE 69 8.177 -9.282 -4.609 531 HD11 ILE 69 HD11 ILE 69 7.561 -7.282 -5.049 532 HD12 ILE 69 HD12 ILE 69 8.814 -6.085 -4.753 533 HD13 ILE 69 HD13 ILE 69 7.090 -5.596 -4.712 534 H SER 70 H SER 70 7.660 -6.476 -0.080 535 HA SER 70 HA SER 70 10.325 -5.620 0.608 536 HB2 SER 70 HB3 SER 70 8.585 -4.004 -0.037 537 HB3 SER 70 HB2 SER 70 7.594 -4.538 1.320 538 HG SER 70 HG SER 70 8.647 -3.196 2.499 539 H ARG 71 H ARG 71 11.152 -5.735 2.608 540 HA ARG 71 HA ARG 71 10.101 -7.805 4.192 541 HB2 ARG 71 HB3 ARG 71 12.677 -6.349 4.432 542 HB3 ARG 71 HB2 ARG 71 12.127 -7.397 5.722 543 HG2 ARG 71 HG3 ARG 71 12.541 -8.227 2.862 544 HG3 ARG 71 HG2 ARG 71 13.613 -8.611 4.212 545 HD2 ARG 71 HD3 ARG 71 11.600 -9.695 5.340 546 HD3 ARG 71 HD2 ARG 71 10.748 -9.504 3.824 547 HE ARG 71 HE ARG 71 11.726 -11.386 3.123 548 HH11 ARG 71 HH11 ARG 71 14.028 -10.005 5.540 549 HH12 ARG 71 HH12 ARG 71 15.092 -11.316 5.416 550 HH21 ARG 71 HH22 ARG 71 13.304 -13.169 3.035 551 HH22 ARG 71 HH21 ARG 71 14.729 -13.073 3.955 552 H ARG 72 H ARG 72 8.213 -6.455 4.469 553 HA ARG 72 HA ARG 72 8.187 -5.799 7.311 554 HB2 ARG 72 HB3 ARG 72 8.534 -3.615 5.938 555 HB3 ARG 72 HB2 ARG 72 6.897 -3.879 5.353 556 HG2 ARG 72 HG3 ARG 72 6.742 -2.368 7.143 557 HG3 ARG 72 HG2 ARG 72 6.189 -3.956 7.743 558 HD2 ARG 72 HD3 ARG 72 8.405 -4.329 8.732 559 HD3 ARG 72 HD2 ARG 72 8.923 -2.753 8.144 560 HE ARG 72 HE ARG 72 7.768 -1.745 9.703 561 HH11 ARG 72 HH11 ARG 72 7.454 -5.196 10.246 562 HH12 ARG 72 HH12 ARG 72 6.161 -5.121 11.353 563 HH21 ARG 72 HH22 ARG 72 5.943 -1.567 11.286 564 HH22 ARG 72 HH21 ARG 72 5.293 -2.993 11.994 565 HA PRO 73 HA PRO 73 4.706 -8.451 5.196 566 HB2 PRO 73 HB2 PRO 73 4.818 -10.418 7.102 567 HB3 PRO 73 HB3 PRO 73 5.702 -10.417 5.559 568 HG2 PRO 73 HG3 PRO 73 6.573 -9.587 8.265 569 HG3 PRO 73 HG2 PRO 73 7.423 -10.614 7.069 570 HD2 PRO 73 HD3 PRO 73 8.147 -8.100 7.343 571 HD3 PRO 73 HD2 PRO 73 7.978 -8.786 5.729 572 H ASP 74 H ASP 74 4.986 -6.840 8.037 573 HA ASP 74 HA ASP 74 2.541 -7.722 9.410 574 HB2 ASP 74 HB3 ASP 74 3.974 -5.080 9.749 575 HB3 ASP 74 HB2 ASP 74 2.658 -5.623 10.762 576 H LEU 75 H LEU 75 3.454 -5.219 7.446 577 HA LEU 75 HA LEU 75 0.923 -3.937 7.238 578 HB2 LEU 75 HB3 LEU 75 3.319 -3.727 5.416 579 HB3 LEU 75 HB2 LEU 75 1.847 -2.819 5.150 580 HG LEU 75 HG LEU 75 2.224 -1.547 7.300 581 HD11 LEU 75 HD11 LEU 75 3.646 -2.020 8.862 582 HD12 LEU 75 HD12 LEU 75 4.919 -2.452 7.742 583 HD13 LEU 75 HD13 LEU 75 3.681 -3.640 8.184 584 HD21 LEU 75 HD21 LEU 75 3.216 -0.873 5.145 585 HD22 LEU 75 HD22 LEU 75 4.703 -1.646 5.643 586 HD23 LEU 75 HD23 LEU 75 4.063 -0.283 6.577 587 H LEU 76 H LEU 76 2.547 -6.040 5.199 588 HA LEU 76 HA LEU 76 0.650 -6.770 3.156 589 HB2 LEU 76 HB3 LEU 76 2.830 -8.060 3.419 590 HB3 LEU 76 HB2 LEU 76 1.983 -8.923 4.724 591 HG LEU 76 HG LEU 76 0.243 -9.367 3.060 592 HD11 LEU 76 HD11 LEU 76 1.132 -9.876 0.773 593 HD12 LEU 76 HD12 LEU 76 2.166 -8.493 1.175 594 HD13 LEU 76 HD13 LEU 76 0.414 -8.346 1.287 595 HD21 LEU 76 HD21 LEU 76 2.628 -10.815 3.715 596 HD22 LEU 76 HD22 LEU 76 1.932 -11.348 2.173 597 HD23 LEU 76 HD23 LEU 76 0.929 -11.343 3.629 598 H THR 77 H THR 77 1.015 -8.261 6.172 599 HA THR 77 HA THR 77 -1.102 -9.935 6.451 600 HB THR 77 HB THR 77 0.106 -8.175 8.507 601 HG1 THR 77 HG1 THR 77 1.673 -9.549 7.864 602 HG21 THR 77 HG21 THR 77 -2.050 -10.055 8.655 603 HG22 THR 77 HG22 THR 77 -1.537 -8.767 9.755 604 HG23 THR 77 HG23 THR 77 -0.746 -10.391 9.826 605 H MET 78 H MET 78 -1.066 -6.567 7.196 606 HA MET 78 HA MET 78 -3.750 -6.327 8.022 607 HB2 MET 78 HB3 MET 78 -1.888 -4.220 6.957 608 HB3 MET 78 HB2 MET 78 -3.471 -3.871 7.645 609 HG2 MET 78 HG3 MET 78 -1.311 -5.353 9.079 610 HG3 MET 78 HG2 MET 78 -1.638 -3.604 9.293 611 HE1 MET 78 HE1 MET 78 -2.356 -3.890 12.173 612 HE2 MET 78 HE2 MET 78 -1.291 -5.164 11.557 613 HE3 MET 78 HE3 MET 78 -2.688 -5.603 12.526 614 H VAL 79 H VAL 79 -2.255 -6.153 4.843 615 HA VAL 79 HA VAL 79 -4.548 -5.258 3.408 616 HB VAL 79 HB VAL 79 -2.058 -6.826 2.597 617 HG11 VAL 79 HG11 VAL 79 -2.628 -5.511 0.374 618 HG12 VAL 79 HG12 VAL 79 -4.276 -5.726 0.979 619 HG13 VAL 79 HG13 VAL 79 -3.244 -7.128 0.712 620 HG21 VAL 79 HG21 VAL 79 -1.583 -4.674 3.633 621 HG22 VAL 79 HG22 VAL 79 -2.565 -3.875 2.399 622 HG23 VAL 79 HG23 VAL 79 -1.101 -4.731 1.934 623 H VAL 80 H VAL 80 -2.986 -8.377 3.914 624 HA VAL 80 HA VAL 80 -4.877 -10.156 2.749 625 HB VAL 80 HB VAL 80 -3.069 -10.611 5.187 626 HG11 VAL 80 HG11 VAL 80 -4.964 -12.245 4.696 627 HG12 VAL 80 HG12 VAL 80 -3.335 -12.893 4.917 628 HG13 VAL 80 HG13 VAL 80 -4.010 -12.716 3.284 629 HG21 VAL 80 HG21 VAL 80 -1.873 -11.861 3.017 630 HG22 VAL 80 HG22 VAL 80 -1.360 -10.352 3.769 631 HG23 VAL 80 HG23 VAL 80 -2.426 -10.324 2.367 632 H ASP 81 H ASP 81 -4.589 -9.285 5.908 633 HA ASP 81 HA ASP 81 -7.009 -10.395 6.732 634 HB2 ASP 81 HB3 ASP 81 -5.366 -8.594 8.427 635 HB3 ASP 81 HB2 ASP 81 -7.035 -8.920 8.922 636 H TYR 82 H TYR 82 -6.557 -7.198 5.771 637 HA TYR 82 HA TYR 82 -9.100 -6.042 6.189 638 HB2 TYR 82 HB3 TYR 82 -7.453 -4.669 5.279 639 HB3 TYR 82 HB2 TYR 82 -7.147 -5.763 3.927 640 HD1 TYR 82 HD2 TYR 82 -9.860 -3.636 5.398 641 HD2 TYR 82 HD1 TYR 82 -8.084 -5.341 1.966 642 HE1 TYR 82 HE2 TYR 82 -11.404 -2.379 3.964 643 HE2 TYR 82 HE1 TYR 82 -9.576 -4.130 0.522 644 HH TYR 82 HH TYR 82 -11.094 -2.382 0.494 645 H ARG 83 H ARG 83 -7.832 -7.873 3.459 646 HA ARG 83 HA ARG 83 -10.004 -7.917 1.809 647 HB2 ARG 83 HB3 ARG 83 -7.853 -8.326 1.053 648 HB3 ARG 83 HB2 ARG 83 -7.525 -9.502 2.275 649 HG2 ARG 83 HG3 ARG 83 -9.485 -10.016 0.136 650 HG3 ARG 83 HG2 ARG 83 -7.742 -10.177 -0.215 651 HD2 ARG 83 HD3 ARG 83 -7.782 -11.769 1.771 652 HD3 ARG 83 HD2 ARG 83 -9.534 -11.780 1.673 653 HE ARG 83 HE ARG 83 -7.720 -13.158 -0.014 654 HH11 ARG 83 HH11 ARG 83 -10.956 -11.669 -0.236 655 HH12 ARG 83 HH12 ARG 83 -11.201 -12.193 -1.851 656 HH21 ARG 83 HH22 ARG 83 -8.105 -13.861 -2.162 657 HH22 ARG 83 HH21 ARG 83 -9.544 -13.480 -3.004 658 H THR 84 H THR 84 -9.000 -10.030 4.029 659 HA THR 84 HA THR 84 -11.116 -11.953 4.021 660 HB THR 84 HB THR 84 -9.339 -11.112 6.231 661 HG1 THR 84 HG1 THR 84 -7.869 -11.946 4.890 662 HG21 THR 84 HG21 THR 84 -11.041 -13.423 5.738 663 HG22 THR 84 HG22 THR 84 -10.966 -12.283 7.110 664 HG23 THR 84 HG23 THR 84 -9.641 -13.491 6.885 665 H ARG 85 H ARG 85 -10.504 -9.817 6.350 666 HA ARG 85 HA ARG 85 -12.722 -9.882 7.865 667 HB2 ARG 85 HB3 ARG 85 -12.387 -7.808 9.130 668 HB3 ARG 85 HB2 ARG 85 -10.879 -8.647 8.870 669 HG2 ARG 85 HG3 ARG 85 -10.242 -7.061 7.175 670 HG3 ARG 85 HG2 ARG 85 -11.785 -6.247 7.266 671 HD2 ARG 85 HD3 ARG 85 -10.542 -4.888 8.632 672 HD3 ARG 85 HD2 ARG 85 -11.282 -6.093 9.696 673 HE ARG 85 HE ARG 85 -8.614 -5.389 9.606 674 HH11 ARG 85 HH11 ARG 85 -9.989 -8.675 9.484 675 HH12 ARG 85 HH12 ARG 85 -8.872 -9.301 10.608 676 HH21 ARG 85 HH22 ARG 85 -7.148 -6.308 11.171 677 HH22 ARG 85 HH21 ARG 85 -7.295 -7.909 11.636 678 H VAL 86 H VAL 86 -12.282 -7.583 5.636 679 HA VAL 86 HA VAL 86 -14.910 -6.438 5.651 680 HB VAL 86 HB VAL 86 -12.893 -6.401 3.436 681 HG11 VAL 86 HG11 VAL 86 -15.605 -5.795 3.118 682 HG12 VAL 86 HG12 VAL 86 -14.336 -5.009 2.179 683 HG13 VAL 86 HG13 VAL 86 -14.975 -4.235 3.633 684 HG21 VAL 86 HG21 VAL 86 -13.209 -3.885 4.569 685 HG22 VAL 86 HG22 VAL 86 -11.893 -5.030 4.858 686 HG23 VAL 86 HG23 VAL 86 -13.309 -5.027 5.911 687 H LEU 87 H LEU 87 -13.599 -9.115 3.977 688 HA LEU 87 HA LEU 87 -15.855 -9.888 2.452 689 HB2 LEU 87 HB3 LEU 87 -13.689 -10.708 2.017 690 HB3 LEU 87 HB2 LEU 87 -13.435 -11.064 3.682 691 HG LEU 87 HG LEU 87 -14.637 -13.003 3.583 692 HD11 LEU 87 HD11 LEU 87 -15.165 -12.569 0.601 693 HD12 LEU 87 HD12 LEU 87 -16.346 -12.024 1.803 694 HD13 LEU 87 HD13 LEU 87 -15.974 -13.748 1.656 695 HD21 LEU 87 HD21 LEU 87 -13.071 -14.227 2.532 696 HD22 LEU 87 HD22 LEU 87 -12.312 -12.647 2.334 697 HD23 LEU 87 HD23 LEU 87 -13.216 -13.340 1.005 698 H LYS 88 H LYS 88 -14.715 -10.676 5.695 699 HA LYS 88 HA LYS 88 -16.777 -12.313 6.548 700 HB2 LYS 88 HB3 LYS 88 -14.523 -12.014 7.613 701 HB3 LYS 88 HB2 LYS 88 -15.047 -10.467 8.234 702 HG2 LYS 88 HG3 LYS 88 -16.124 -13.179 9.058 703 HG3 LYS 88 HG2 LYS 88 -14.934 -12.216 9.937 704 HD2 LYS 88 HD3 LYS 88 -16.697 -10.496 10.342 705 HD3 LYS 88 HD2 LYS 88 -17.836 -11.532 9.474 706 HE2 LYS 88 HE3 LYS 88 -17.449 -13.332 11.130 707 HE3 LYS 88 HE2 LYS 88 -16.328 -12.268 11.980 708 HZ1 LYS 88 HZ1 LYS 88 -19.087 -11.359 11.551 709 HZ2 LYS 88 HZ2 LYS 88 -18.065 -10.994 12.833 710 HZ3 LYS 88 HZ3 LYS 88 -18.809 -12.488 12.756 711 H ILE 89 H ILE 89 -16.444 -8.783 6.785 712 HA ILE 89 HA ILE 89 -18.711 -8.380 8.385 713 HB ILE 89 HB ILE 89 -16.971 -6.720 6.649 714 HG12 ILE 89 HG13 ILE 89 -17.032 -6.933 9.668 715 HG13 ILE 89 HG12 ILE 89 -15.794 -7.534 8.551 716 HG21 ILE 89 HG21 ILE 89 -18.801 -5.470 6.581 717 HG22 ILE 89 HG22 ILE 89 -17.929 -4.753 7.960 718 HG23 ILE 89 HG23 ILE 89 -19.291 -5.870 8.244 719 HD11 ILE 89 HD11 ILE 89 -14.707 -5.664 8.698 720 HD12 ILE 89 HD12 ILE 89 -15.889 -5.056 9.850 721 HD13 ILE 89 HD13 ILE 89 -16.110 -4.747 8.132 722 H SER 90 H SER 90 -17.953 -7.818 4.958 723 HA SER 90 HA SER 90 -20.752 -7.380 4.371 724 HB2 SER 90 HB3 SER 90 -18.325 -7.065 2.610 725 HB3 SER 90 HB2 SER 90 -19.980 -6.672 2.136 726 HG SER 90 HG SER 90 -19.674 -5.532 4.411 Start of MODEL 14 1 H1 MET 1 H MET 1 -15.847 1.279 1.266 2 H2 MET 1 H2 MET 1 -14.938 0.619 0.004 3 H3 MET 1 H3 MET 1 -14.522 0.300 1.608 4 HA MET 1 HA MET 1 -13.126 1.924 0.386 5 HB2 MET 1 HB3 MET 1 -14.922 3.158 -0.715 6 HB3 MET 1 HB2 MET 1 -15.594 3.602 0.845 7 HG2 MET 1 HG3 MET 1 -13.594 4.941 1.341 8 HG3 MET 1 HG2 MET 1 -12.908 4.494 -0.211 9 HE1 MET 1 HE1 MET 1 -12.439 7.020 -0.569 10 HE2 MET 1 HE2 MET 1 -13.308 7.607 0.850 11 HE3 MET 1 HE3 MET 1 -13.685 8.253 -0.750 12 H ALA 2 H ALA 2 -15.291 2.641 3.085 13 HA ALA 2 HA ALA 2 -13.286 4.073 4.465 14 HB1 ALA 2 HB1 ALA 2 -14.860 2.896 6.538 15 HB2 ALA 2 HB2 ALA 2 -15.923 3.200 5.162 16 HB3 ALA 2 HB3 ALA 2 -15.008 4.529 5.880 17 H GLU 3 H GLU 3 -14.153 0.889 5.347 18 HA GLU 3 HA GLU 3 -12.129 0.342 6.944 19 HB2 GLU 3 HB3 GLU 3 -13.226 -1.582 4.916 20 HB3 GLU 3 HB2 GLU 3 -12.091 -2.078 6.171 21 HG2 GLU 3 HG3 GLU 3 -14.736 -0.771 6.622 22 HG3 GLU 3 HG2 GLU 3 -14.432 -2.518 6.771 23 H TYR 4 H TYR 4 -12.006 0.204 3.830 24 HA TYR 4 HA TYR 4 -9.295 -0.587 3.305 25 HB2 TYR 4 HB3 TYR 4 -10.790 -0.476 1.393 26 HB3 TYR 4 HB2 TYR 4 -10.643 1.316 1.350 27 HD1 TYR 4 HD1 TYR 4 -8.372 -1.596 1.684 28 HD2 TYR 4 HD2 TYR 4 -9.354 1.883 -0.561 29 HE1 TYR 4 HE1 TYR 4 -6.518 -2.050 0.198 30 HE2 TYR 4 HE2 TYR 4 -7.469 1.448 -2.029 31 HH TYR 4 HH TYR 4 -6.145 -0.566 -2.730 32 H GLY 5 H GLY 5 -10.824 2.462 3.522 33 HA2 GLY 5 HA3 GLY 5 -8.702 4.345 3.400 34 HA3 GLY 5 HA2 GLY 5 -10.156 4.619 4.367 35 H THR 6 H THR 6 -9.979 2.666 6.411 36 HA THR 6 HA THR 6 -7.980 3.658 8.042 37 HB THR 6 HB THR 6 -9.582 1.116 8.168 38 HG1 THR 6 HG1 THR 6 -11.164 2.329 9.192 39 HG21 THR 6 HG21 THR 6 -7.580 2.075 9.734 40 HG22 THR 6 HG22 THR 6 -8.708 0.784 10.159 41 HG23 THR 6 HG23 THR 6 -9.062 2.463 10.646 42 H LEU 7 H LEU 7 -8.370 0.796 6.358 43 HA LEU 7 HA LEU 7 -6.086 -0.732 6.861 44 HB2 LEU 7 HB3 LEU 7 -7.779 -1.573 5.455 45 HB3 LEU 7 HB2 LEU 7 -7.425 -0.386 4.232 46 HG LEU 7 HG LEU 7 -6.871 -2.743 3.960 47 HD11 LEU 7 HD11 LEU 7 -6.145 -1.008 2.462 48 HD12 LEU 7 HD12 LEU 7 -4.873 -2.227 2.558 49 HD13 LEU 7 HD13 LEU 7 -4.702 -0.676 3.427 50 HD21 LEU 7 HD21 LEU 7 -5.688 -2.878 6.174 51 HD22 LEU 7 HD22 LEU 7 -4.291 -2.163 5.360 52 HD23 LEU 7 HD23 LEU 7 -4.925 -3.707 4.803 53 H LEU 8 H LEU 8 -6.199 1.519 4.423 54 HA LEU 8 HA LEU 8 -3.372 1.732 3.818 55 HB2 LEU 8 HB3 LEU 8 -5.373 3.973 3.316 56 HB3 LEU 8 HB2 LEU 8 -3.646 4.012 2.946 57 HG LEU 8 HG LEU 8 -3.836 2.399 1.239 58 HD11 LEU 8 HD11 LEU 8 -6.699 1.954 1.216 59 HD12 LEU 8 HD12 LEU 8 -5.915 1.314 2.665 60 HD13 LEU 8 HD13 LEU 8 -5.365 0.803 1.085 61 HD21 LEU 8 HD21 LEU 8 -4.872 3.644 -0.313 62 HD22 LEU 8 HD22 LEU 8 -4.900 4.803 1.008 63 HD23 LEU 8 HD23 LEU 8 -6.342 3.873 0.671 64 H GLN 9 H GLN 9 -5.294 3.425 6.119 65 HA GLN 9 HA GLN 9 -3.452 5.266 7.243 66 HB2 GLN 9 HB3 GLN 9 -5.802 5.522 7.199 67 HB3 GLN 9 HB2 GLN 9 -6.045 3.960 7.937 68 HG2 GLN 9 HG3 GLN 9 -6.449 5.462 9.527 69 HG3 GLN 9 HG2 GLN 9 -4.826 4.779 9.790 70 HE21 GLN 9 HE22 GLN 9 -3.398 6.272 10.571 71 HE22 GLN 9 HE21 GLN 9 -3.328 7.919 10.050 72 H ASP 10 H ASP 10 -4.184 2.138 7.662 73 HA ASP 10 HA ASP 10 -3.220 1.626 10.404 74 HB2 ASP 10 HB3 ASP 10 -4.354 -0.298 8.441 75 HB3 ASP 10 HB2 ASP 10 -3.580 -0.846 9.926 76 H LEU 11 H LEU 11 -2.130 0.857 7.201 77 HA LEU 11 HA LEU 11 0.218 -0.322 8.280 78 HB2 LEU 11 HB3 LEU 11 0.902 -0.737 6.011 79 HB3 LEU 11 HB2 LEU 11 -0.638 -1.495 6.411 80 HG LEU 11 HG LEU 11 -1.560 0.621 5.243 81 HD11 LEU 11 HD11 LEU 11 0.684 0.572 3.437 82 HD12 LEU 11 HD12 LEU 11 1.145 1.037 5.066 83 HD13 LEU 11 HD13 LEU 11 -0.117 1.947 4.221 84 HD21 LEU 11 HD21 LEU 11 -0.318 -1.353 3.394 85 HD22 LEU 11 HD22 LEU 11 -1.958 -0.703 3.397 86 HD23 LEU 11 HD23 LEU 11 -1.485 -1.924 4.587 87 H THR 12 H THR 12 -0.836 2.487 7.043 88 HA THR 12 HA THR 12 1.644 3.896 6.681 89 HB THR 12 HB THR 12 -1.152 4.933 6.999 90 HG1 THR 12 HG1 THR 12 -0.987 4.047 5.050 91 HG21 THR 12 HG21 THR 12 0.145 6.811 5.754 92 HG22 THR 12 HG22 THR 12 1.419 6.226 6.880 93 HG23 THR 12 HG23 THR 12 -0.156 6.725 7.545 94 H ASN 13 H ASN 13 -0.534 3.407 9.385 95 HA ASN 13 HA ASN 13 0.781 5.132 11.248 96 HB2 ASN 13 HB3 ASN 13 -0.698 2.549 11.969 97 HB3 ASN 13 HB2 ASN 13 -0.195 3.801 13.090 98 HD21 ASN 13 HD22 ASN 13 -2.803 2.506 11.956 99 HD22 ASN 13 HD21 ASN 13 -3.849 3.840 11.783 100 H ASN 14 H ASN 14 1.335 1.879 10.178 101 HA ASN 14 HA ASN 14 3.544 1.494 12.053 102 HB2 ASN 14 HB3 ASN 14 2.335 -0.424 10.013 103 HB3 ASN 14 HB2 ASN 14 3.658 -0.789 11.102 104 HD21 ASN 14 HD22 ASN 14 0.346 -0.893 10.766 105 HD22 ASN 14 HD21 ASN 14 -0.069 -1.144 12.429 106 H ILE 15 H ILE 15 3.173 2.896 9.176 107 HA ILE 15 HA ILE 15 5.585 2.046 7.889 108 HB ILE 15 HB ILE 15 3.413 3.991 7.246 109 HG12 ILE 15 HG13 ILE 15 3.301 1.689 6.439 110 HG13 ILE 15 HG12 ILE 15 3.313 2.880 5.127 111 HG21 ILE 15 HG21 ILE 15 4.382 5.164 5.582 112 HG22 ILE 15 HG22 ILE 15 5.778 4.090 5.461 113 HG23 ILE 15 HG23 ILE 15 5.622 5.203 6.847 114 HD11 ILE 15 HD11 ILE 15 5.949 2.365 5.365 115 HD12 ILE 15 HD12 ILE 15 4.865 1.548 4.254 116 HD13 ILE 15 HD13 ILE 15 5.290 0.798 5.808 117 H THR 16 H THR 16 7.508 2.689 8.446 118 HA THR 16 HA THR 16 7.834 5.257 9.647 119 HB THR 16 HB THR 16 10.136 4.725 9.882 120 HG1 THR 16 HG1 THR 16 10.181 2.117 9.003 121 HG21 THR 16 HG21 THR 16 8.562 3.852 11.348 122 HG22 THR 16 HG22 THR 16 10.112 2.948 11.321 123 HG23 THR 16 HG23 THR 16 8.665 2.280 10.454 124 H LEU 17 H LEU 17 8.922 6.537 8.570 125 HA LEU 17 HA LEU 17 8.410 7.013 5.835 126 HB2 LEU 17 HB3 LEU 17 9.476 8.660 7.471 127 HB3 LEU 17 HB2 LEU 17 11.019 7.912 7.142 128 HG LEU 17 HG LEU 17 9.307 9.583 5.311 129 HD11 LEU 17 HD11 LEU 17 12.094 10.083 6.252 130 HD12 LEU 17 HD12 LEU 17 10.662 10.655 7.094 131 HD13 LEU 17 HD13 LEU 17 11.004 11.217 5.457 132 HD21 LEU 17 HD21 LEU 17 11.077 9.447 3.627 133 HD22 LEU 17 HD22 LEU 17 10.347 7.877 3.929 134 HD23 LEU 17 HD23 LEU 17 11.942 8.247 4.592 135 H GLU 18 H GLU 18 11.208 5.539 7.333 136 HA GLU 18 HA GLU 18 12.642 4.730 5.057 137 HB2 GLU 18 HB3 GLU 18 12.693 3.525 7.820 138 HB3 GLU 18 HB2 GLU 18 13.942 3.280 6.600 139 HG2 GLU 18 HG3 GLU 18 14.367 5.691 6.575 140 HG3 GLU 18 HG2 GLU 18 13.137 5.933 7.802 141 H ASP 19 H ASP 19 10.502 2.865 7.035 142 HA ASP 19 HA ASP 19 10.489 0.402 5.693 143 HB2 ASP 19 HB3 ASP 19 8.008 1.673 6.959 144 HB3 ASP 19 HB2 ASP 19 7.983 0.029 6.300 145 H LEU 20 H LEU 20 8.239 3.011 5.098 146 HA LEU 20 HA LEU 20 7.165 2.176 2.701 147 HB2 LEU 20 HB3 LEU 20 6.697 4.432 3.916 148 HB3 LEU 20 HB2 LEU 20 8.091 4.922 2.937 149 HG LEU 20 HG LEU 20 7.075 4.305 0.939 150 HD11 LEU 20 HD11 LEU 20 4.607 3.711 2.526 151 HD12 LEU 20 HD12 LEU 20 5.607 2.550 1.652 152 HD13 LEU 20 HD13 LEU 20 4.713 3.785 0.768 153 HD21 LEU 20 HD21 LEU 20 6.923 6.539 1.585 154 HD22 LEU 20 HD22 LEU 20 5.586 6.203 2.683 155 HD23 LEU 20 HD23 LEU 20 5.335 6.079 0.942 156 H GLU 21 H GLU 21 10.216 3.809 3.126 157 HA GLU 21 HA GLU 21 10.749 4.080 0.368 158 HB2 GLU 21 HB3 GLU 21 12.837 3.879 2.555 159 HB3 GLU 21 HB2 GLU 21 13.196 4.254 0.881 160 HG2 GLU 21 HG3 GLU 21 11.750 6.285 1.094 161 HG3 GLU 21 HG2 GLU 21 11.619 5.936 2.822 162 H GLN 22 H GLN 22 11.250 1.621 2.476 163 HA GLN 22 HA GLN 22 12.688 -0.125 0.720 164 HB2 GLN 22 HB3 GLN 22 12.632 -0.672 3.131 165 HB3 GLN 22 HB2 GLN 22 10.910 -1.046 2.973 166 HG2 GLN 22 HG3 GLN 22 11.409 -2.809 1.397 167 HG3 GLN 22 HG2 GLN 22 13.127 -2.446 1.536 168 HE21 GLN 22 HE22 GLN 22 14.008 -3.885 2.535 169 HE22 GLN 22 HE21 GLN 22 13.528 -4.726 3.956 170 H LEU 23 H LEU 23 9.167 0.130 1.424 171 HA LEU 23 HA LEU 23 8.379 -1.794 -0.296 172 HB2 LEU 23 HB3 LEU 23 7.075 0.816 0.538 173 HB3 LEU 23 HB2 LEU 23 6.238 -0.476 -0.300 174 HG LEU 23 HG LEU 23 7.487 -0.725 2.411 175 HD11 LEU 23 HD11 LEU 23 5.755 0.813 2.734 176 HD12 LEU 23 HD12 LEU 23 4.944 -0.732 2.995 177 HD13 LEU 23 HD13 LEU 23 4.779 0.105 1.446 178 HD21 LEU 23 HD21 LEU 23 6.895 -2.740 0.816 179 HD22 LEU 23 HD22 LEU 23 5.270 -2.429 1.425 180 HD23 LEU 23 HD23 LEU 23 6.577 -2.803 2.553 181 H LYS 24 H LYS 24 8.966 1.484 -0.605 182 HA LYS 24 HA LYS 24 8.248 2.018 -3.356 183 HB2 LYS 24 HB3 LYS 24 10.465 3.525 -1.891 184 HB3 LYS 24 HB2 LYS 24 9.698 4.040 -3.384 185 HG2 LYS 24 HG3 LYS 24 7.508 4.200 -2.071 186 HG3 LYS 24 HG2 LYS 24 8.458 3.933 -0.609 187 HD2 LYS 24 HD3 LYS 24 8.871 6.184 -2.548 188 HD3 LYS 24 HD2 LYS 24 8.042 6.269 -0.993 189 HE2 LYS 24 HE3 LYS 24 10.119 5.667 0.140 190 HE3 LYS 24 HE2 LYS 24 10.946 5.553 -1.410 191 HZ1 LYS 24 HZ1 LYS 24 11.472 7.655 -0.618 192 HZ2 LYS 24 HZ2 LYS 24 9.897 7.971 -0.062 193 HZ3 LYS 24 HZ3 LYS 24 10.235 7.961 -1.724 194 H SER 25 H SER 25 10.973 1.311 -2.028 195 HA SER 25 HA SER 25 12.860 0.897 -4.139 196 HB2 SER 25 HB3 SER 25 13.009 -0.694 -1.564 197 HB3 SER 25 HB2 SER 25 14.320 -0.620 -2.754 198 HG SER 25 HG SER 25 13.278 1.431 -1.103 199 H ALA 26 H ALA 26 10.940 -1.318 -2.678 200 HA ALA 26 HA ALA 26 11.152 -3.503 -4.563 201 HB1 ALA 26 HB1 ALA 26 8.494 -3.579 -3.682 202 HB2 ALA 26 HB2 ALA 26 9.399 -2.891 -2.340 203 HB3 ALA 26 HB3 ALA 26 9.860 -4.468 -3.010 204 H CYS 27 H CYS 27 8.900 -0.738 -4.366 205 HA CYS 27 HA CYS 27 7.562 -1.281 -6.730 206 HB2 CYS 27 HB3 CYS 27 7.831 1.361 -5.366 207 HB3 CYS 27 HB2 CYS 27 6.669 0.829 -6.585 208 HG CYS 27 HG CYS 27 6.901 -0.402 -3.417 209 H LYS 28 H LYS 28 10.729 -0.273 -6.614 210 HA LYS 28 HA LYS 28 10.962 2.122 -7.926 211 HB2 LYS 28 HB3 LYS 28 12.640 -0.313 -8.346 212 HB3 LYS 28 HB2 LYS 28 13.041 1.204 -9.129 213 HG2 LYS 28 HG3 LYS 28 12.988 0.625 -6.178 214 HG3 LYS 28 HG2 LYS 28 14.428 0.763 -7.188 215 HD2 LYS 28 HD3 LYS 28 13.582 3.101 -7.755 216 HD3 LYS 28 HD2 LYS 28 12.473 2.880 -6.388 217 HE2 LYS 28 HE3 LYS 28 15.393 2.555 -6.332 218 HE3 LYS 28 HE2 LYS 28 14.573 4.068 -5.856 219 HZ1 LYS 28 HZ1 LYS 28 13.456 2.121 -4.251 220 HZ2 LYS 28 HZ2 LYS 28 14.753 3.135 -3.815 221 HZ3 LYS 28 HZ3 LYS 28 15.075 1.610 -4.400 222 H GLU 29 H GLU 29 10.576 -0.898 -9.417 223 HA GLU 29 HA GLU 29 10.532 0.156 -12.047 224 HB2 GLU 29 HB3 GLU 29 9.690 -2.550 -11.126 225 HB3 GLU 29 HB2 GLU 29 9.814 -2.064 -12.821 226 HG2 GLU 29 HG3 GLU 29 12.174 -1.482 -12.459 227 HG3 GLU 29 HG2 GLU 29 12.039 -2.075 -10.809 228 H ASP 30 H ASP 30 7.834 -0.599 -9.865 229 HA ASP 30 HA ASP 30 6.042 0.001 -12.027 230 HB2 ASP 30 HB3 ASP 30 5.440 -1.010 -9.290 231 HB3 ASP 30 HB2 ASP 30 4.175 -0.257 -10.230 232 H ILE 31 H ILE 31 6.929 1.642 -9.055 233 HA ILE 31 HA ILE 31 5.049 3.668 -9.899 234 HB ILE 31 HB ILE 31 4.999 2.756 -7.498 235 HG12 ILE 31 HG13 ILE 31 3.985 4.961 -8.022 236 HG13 ILE 31 HG12 ILE 31 4.568 4.811 -6.364 237 HG21 ILE 31 HG21 ILE 31 7.456 2.713 -7.261 238 HG22 ILE 31 HG22 ILE 31 6.499 3.381 -5.909 239 HG23 ILE 31 HG23 ILE 31 7.357 4.476 -7.007 240 HD11 ILE 31 HD11 ILE 31 6.015 6.475 -6.615 241 HD12 ILE 31 HD12 ILE 31 5.040 6.926 -8.022 242 HD13 ILE 31 HD13 ILE 31 6.476 5.927 -8.243 243 HA PRO 32 HA PRO 32 8.199 5.628 -11.891 244 HB2 PRO 32 HB2 PRO 32 6.740 8.176 -11.287 245 HB3 PRO 32 HB3 PRO 32 7.378 7.601 -12.831 246 HG2 PRO 32 HG3 PRO 32 4.802 7.359 -12.320 247 HG3 PRO 32 HG2 PRO 32 5.682 6.026 -13.084 248 HD2 PRO 32 HD3 PRO 32 4.825 6.305 -10.235 249 HD3 PRO 32 HD2 PRO 32 4.787 4.870 -11.289 250 H SER 33 H SER 33 9.938 6.453 -11.555 251 HA SER 33 HA SER 33 11.293 6.750 -9.067 252 HB2 SER 33 HB3 SER 33 12.518 6.401 -11.280 253 HB3 SER 33 HB2 SER 33 12.225 8.090 -11.636 254 HG SER 33 HG SER 33 13.480 8.597 -9.723 255 H GLU 34 H GLU 34 10.435 9.215 -11.205 256 HA GLU 34 HA GLU 34 10.831 11.683 -10.063 257 HB2 GLU 34 HB3 GLU 34 9.722 11.263 -12.254 258 HB3 GLU 34 HB2 GLU 34 8.258 10.827 -11.416 259 HG2 GLU 34 HG3 GLU 34 8.178 13.198 -10.557 260 HG3 GLU 34 HG2 GLU 34 9.530 13.540 -11.636 261 H LYS 35 H LYS 35 8.207 9.773 -9.669 262 HA LYS 35 HA LYS 35 6.882 11.206 -7.600 263 HB2 LYS 35 HB3 LYS 35 6.254 8.543 -8.839 264 HB3 LYS 35 HB2 LYS 35 5.209 9.308 -7.640 265 HG2 LYS 35 HG3 LYS 35 6.065 10.615 -10.206 266 HG3 LYS 35 HG2 LYS 35 4.537 9.740 -10.015 267 HD2 LYS 35 HD3 LYS 35 3.942 11.201 -8.181 268 HD3 LYS 35 HD2 LYS 35 5.467 12.054 -8.339 269 HE2 LYS 35 HE3 LYS 35 3.336 11.957 -10.490 270 HE3 LYS 35 HE2 LYS 35 3.524 13.254 -9.309 271 HZ1 LYS 35 HZ1 LYS 35 5.670 13.729 -10.196 272 HZ2 LYS 35 HZ2 LYS 35 4.501 13.834 -11.382 273 HZ3 LYS 35 HZ3 LYS 35 5.555 12.539 -11.410 274 H SER 36 H SER 36 8.447 8.006 -7.476 275 HA SER 36 HA SER 36 8.127 7.417 -4.834 276 HB2 SER 36 HB3 SER 36 9.120 5.945 -6.488 277 HB3 SER 36 HB2 SER 36 10.588 6.929 -6.545 278 HG SER 36 HG SER 36 10.244 4.878 -5.106 279 H GLU 37 H GLU 37 10.126 9.638 -6.117 280 HA GLU 37 HA GLU 37 11.892 10.349 -3.897 281 HB2 GLU 37 HB3 GLU 37 11.125 12.169 -6.195 282 HB3 GLU 37 HB2 GLU 37 12.294 12.589 -4.972 283 HG2 GLU 37 HG3 GLU 37 13.712 10.704 -5.678 284 HG3 GLU 37 HG2 GLU 37 12.521 10.285 -6.906 285 H GLU 38 H GLU 38 9.027 11.552 -4.941 286 HA GLU 38 HA GLU 38 8.676 13.443 -2.730 287 HB2 GLU 38 HB3 GLU 38 6.457 14.183 -3.438 288 HB3 GLU 38 HB2 GLU 38 7.583 14.180 -4.776 289 HG2 GLU 38 HG3 GLU 38 6.551 12.168 -5.665 290 HG3 GLU 38 HG2 GLU 38 5.536 12.072 -4.233 291 H ILE 39 H ILE 39 7.838 10.307 -3.137 292 HA ILE 39 HA ILE 39 5.721 10.171 -1.228 293 HB ILE 39 HB ILE 39 7.390 7.898 -2.371 294 HG12 ILE 39 HG13 ILE 39 4.658 8.861 -3.167 295 HG13 ILE 39 HG12 ILE 39 6.139 9.261 -4.067 296 HG21 ILE 39 HG21 ILE 39 4.627 7.804 -1.201 297 HG22 ILE 39 HG22 ILE 39 6.085 7.515 -0.243 298 HG23 ILE 39 HG23 ILE 39 5.706 6.450 -1.608 299 HD11 ILE 39 HD11 ILE 39 5.419 6.451 -3.465 300 HD12 ILE 39 HD12 ILE 39 6.350 7.146 -4.805 301 HD13 ILE 39 HD13 ILE 39 4.573 7.340 -4.735 302 H THR 40 H THR 40 7.307 11.441 0.197 303 HA THR 40 HA THR 40 8.918 9.732 1.935 304 HB THR 40 HB THR 40 9.900 11.832 1.365 305 HG1 THR 40 HG1 THR 40 8.981 11.724 4.000 306 HG21 THR 40 HG21 THR 40 8.144 13.754 2.590 307 HG22 THR 40 HG22 THR 40 7.269 12.728 1.436 308 HG23 THR 40 HG23 THR 40 8.683 13.614 0.905 309 H THR 41 H THR 41 5.970 9.510 1.782 310 HA THR 41 HA THR 41 5.539 8.990 4.442 311 HB THR 41 HB THR 41 4.898 11.164 4.769 312 HG1 THR 41 HG1 THR 41 3.426 10.153 5.961 313 HG21 THR 41 HG21 THR 41 4.424 12.122 2.687 314 HG22 THR 41 HG22 THR 41 2.887 12.225 3.550 315 HG23 THR 41 HG23 THR 41 3.153 10.947 2.359 316 H GLY 42 H GLY 42 3.769 7.715 4.851 317 HA2 GLY 42 HA3 GLY 42 3.491 5.803 2.757 318 HA3 GLY 42 HA2 GLY 42 2.561 5.751 4.251 319 H SER 43 H SER 43 0.885 8.025 4.180 320 HA SER 43 HA SER 43 -1.054 7.516 2.558 321 HB2 SER 43 HB3 SER 43 -0.021 10.113 3.654 322 HB3 SER 43 HB2 SER 43 -1.708 9.764 3.248 323 HG SER 43 HG SER 43 -1.911 8.663 5.027 324 H ALA 44 H ALA 44 1.627 9.486 2.040 325 HA ALA 44 HA ALA 44 0.945 10.945 -0.309 326 HB1 ALA 44 HB1 ALA 44 3.315 10.842 1.044 327 HB2 ALA 44 HB2 ALA 44 3.105 11.641 -0.520 328 HB3 ALA 44 HB3 ALA 44 3.735 9.996 -0.448 329 H TRP 45 H TRP 45 2.524 7.811 -0.136 330 HA TRP 45 HA TRP 45 2.517 7.311 -2.903 331 HB2 TRP 45 HB3 TRP 45 3.825 6.058 -1.127 332 HB3 TRP 45 HB2 TRP 45 2.305 5.350 -0.647 333 HD1 TRP 45 HD1 TRP 45 3.589 5.728 -4.278 334 HE1 TRP 45 HE1 TRP 45 3.711 3.326 -5.235 335 HE3 TRP 45 HE3 TRP 45 2.344 3.116 -0.108 336 HZ2 TRP 45 HZ2 TRP 45 3.345 0.721 -4.333 337 HZ3 TRP 45 HZ3 TRP 45 2.270 0.653 -0.241 338 HH2 TRP 45 HH2 TRP 45 2.764 -0.474 -2.330 339 H PHE 46 H PHE 46 0.243 6.172 -0.440 340 HA PHE 46 HA PHE 46 -1.389 4.921 -2.276 341 HB2 PHE 46 HB3 PHE 46 -2.315 6.393 0.171 342 HB3 PHE 46 HB2 PHE 46 -3.310 5.290 -0.765 343 HD1 PHE 46 HD1 PHE 46 -2.076 3.006 -1.243 344 HD2 PHE 46 HD2 PHE 46 -1.428 5.518 2.151 345 HE1 PHE 46 HE1 PHE 46 -1.449 1.058 0.065 346 HE2 PHE 46 HE2 PHE 46 -0.837 3.521 3.473 347 HZ PHE 46 HZ PHE 46 -0.836 1.315 2.394 348 H SER 47 H SER 47 -1.704 7.957 -1.105 349 HA SER 47 HA SER 47 -3.777 8.984 -2.816 350 HB2 SER 47 HB3 SER 47 -1.679 10.622 -1.455 351 HB3 SER 47 HB2 SER 47 -3.183 11.267 -2.152 352 HG SER 47 HG SER 47 -4.087 9.419 -0.728 353 H PHE 48 H PHE 48 -0.390 8.807 -3.561 354 HA PHE 48 HA PHE 48 -0.611 10.261 -6.056 355 HB2 PHE 48 HB3 PHE 48 1.612 9.931 -5.169 356 HB3 PHE 48 HB2 PHE 48 1.308 8.204 -4.978 357 HD1 PHE 48 HD1 PHE 48 1.142 10.736 -7.759 358 HD2 PHE 48 HD2 PHE 48 2.204 6.866 -6.432 359 HE1 PHE 48 HE1 PHE 48 1.875 10.193 -9.996 360 HE2 PHE 48 HE2 PHE 48 2.999 6.291 -8.691 361 HZ PHE 48 HZ PHE 48 2.817 7.983 -10.507 362 H LEU 49 H LEU 49 -0.407 6.783 -5.101 363 HA LEU 49 HA LEU 49 -0.663 5.579 -7.416 364 HB2 LEU 49 HB3 LEU 49 -0.274 5.054 -4.947 365 HB3 LEU 49 HB2 LEU 49 -2.016 4.685 -4.945 366 HG LEU 49 HG LEU 49 -1.450 2.663 -6.478 367 HD11 LEU 49 HD11 LEU 49 0.308 3.510 -7.753 368 HD12 LEU 49 HD12 LEU 49 1.041 2.343 -6.664 369 HD13 LEU 49 HD13 LEU 49 1.177 4.071 -6.327 370 HD21 LEU 49 HD21 LEU 49 0.099 3.110 -3.937 371 HD22 LEU 49 HD22 LEU 49 0.154 1.605 -4.848 372 HD23 LEU 49 HD23 LEU 49 -1.365 2.159 -4.175 373 H GLU 50 H GLU 50 -3.114 6.192 -5.082 374 HA GLU 50 HA GLU 50 -5.670 5.754 -6.168 375 HB2 GLU 50 HB3 GLU 50 -5.056 8.242 -4.520 376 HB3 GLU 50 HB2 GLU 50 -6.670 7.661 -4.844 377 HG2 GLU 50 HG3 GLU 50 -6.261 5.678 -3.514 378 HG3 GLU 50 HG2 GLU 50 -4.573 6.143 -3.307 379 H SER 51 H SER 51 -3.981 8.372 -6.390 380 HA SER 51 HA SER 51 -5.459 10.073 -8.207 381 HB2 SER 51 HB3 SER 51 -2.438 10.237 -7.985 382 HB3 SER 51 HB2 SER 51 -3.437 11.395 -8.874 383 HG SER 51 HG SER 51 -3.441 10.786 -6.128 384 H HIS 52 H HIS 52 -3.256 7.443 -8.911 385 HA HIS 52 HA HIS 52 -3.981 7.785 -11.729 386 HB2 HIS 52 HB3 HIS 52 -1.667 6.304 -10.539 387 HB3 HIS 52 HB2 HIS 52 -2.069 6.122 -12.284 388 HD1 HIS 52 HD1 HIS 52 0.286 7.159 -12.930 389 HD2 HIS 52 HD2 HIS 52 -1.969 9.266 -10.258 390 HE1 HIS 52 HE1 HIS 52 1.482 9.337 -12.748 391 H ASN 53 H ASN 53 -3.612 5.181 -12.643 392 HA ASN 53 HA ASN 53 -5.940 3.947 -11.438 393 HB2 ASN 53 HB3 ASN 53 -4.427 3.283 -13.975 394 HB3 ASN 53 HB2 ASN 53 -5.894 2.471 -13.427 395 HD21 ASN 53 HD22 ASN 53 -4.776 4.697 -15.530 396 HD22 ASN 53 HD21 ASN 53 -6.182 5.680 -15.691 397 H LYS 54 H LYS 54 -3.638 3.862 -9.822 398 HA LYS 54 HA LYS 54 -2.998 1.058 -10.176 399 HB2 LYS 54 HB3 LYS 54 -1.195 2.998 -8.686 400 HB3 LYS 54 HB2 LYS 54 -0.887 1.277 -8.867 401 HG2 LYS 54 HG3 LYS 54 -0.802 3.415 -11.007 402 HG3 LYS 54 HG2 LYS 54 0.463 2.343 -10.359 403 HD2 LYS 54 HD3 LYS 54 -1.929 1.407 -11.895 404 HD3 LYS 54 HD2 LYS 54 -0.353 1.703 -12.619 405 HE2 LYS 54 HE3 LYS 54 0.602 -0.021 -11.130 406 HE3 LYS 54 HE2 LYS 54 -0.981 -0.278 -10.425 407 HZ1 LYS 54 HZ1 LYS 54 -1.765 -1.305 -12.258 408 HZ2 LYS 54 HZ2 LYS 54 -0.152 -1.811 -12.297 409 HZ3 LYS 54 HZ3 LYS 54 -0.694 -0.553 -13.333 410 H LEU 55 H LEU 55 -4.914 2.933 -8.279 411 HA LEU 55 HA LEU 55 -5.454 0.666 -6.635 412 HB2 LEU 55 HB3 LEU 55 -3.480 1.364 -5.431 413 HB3 LEU 55 HB2 LEU 55 -4.078 2.998 -5.291 414 HG LEU 55 HG LEU 55 -5.455 0.680 -3.885 415 HD11 LEU 55 HD11 LEU 55 -3.776 0.609 -2.371 416 HD12 LEU 55 HD12 LEU 55 -3.935 2.331 -2.081 417 HD13 LEU 55 HD13 LEU 55 -2.854 1.751 -3.342 418 HD21 LEU 55 HD21 LEU 55 -5.622 3.636 -3.811 419 HD22 LEU 55 HD22 LEU 55 -5.735 2.810 -2.262 420 HD23 LEU 55 HD23 LEU 55 -6.890 2.439 -3.553 421 H ASP 56 H ASP 56 -7.380 0.609 -6.872 422 HA ASP 56 HA ASP 56 -9.258 2.768 -6.595 423 HB2 ASP 56 HB3 ASP 56 -9.841 -0.184 -6.591 424 HB3 ASP 56 HB2 ASP 56 -11.035 1.098 -6.549 425 H LYS 57 H LYS 57 -11.036 2.526 -5.095 426 HA LYS 57 HA LYS 57 -10.246 2.382 -2.370 427 HB2 LYS 57 HB3 LYS 57 -12.522 2.633 -1.746 428 HB3 LYS 57 HB2 LYS 57 -12.291 3.635 -3.161 429 HG2 LYS 57 HG3 LYS 57 -13.475 0.921 -3.102 430 HG3 LYS 57 HG2 LYS 57 -14.420 2.416 -3.223 431 HD2 LYS 57 HD3 LYS 57 -13.193 2.863 -5.350 432 HD3 LYS 57 HD2 LYS 57 -12.413 1.293 -5.071 433 HE2 LYS 57 HE3 LYS 57 -14.375 1.170 -6.723 434 HE3 LYS 57 HE2 LYS 57 -14.481 0.079 -5.350 435 HZ1 LYS 57 HZ1 LYS 57 -16.185 1.198 -4.454 436 HZ2 LYS 57 HZ2 LYS 57 -16.544 1.564 -6.052 437 HZ3 LYS 57 HZ3 LYS 57 -15.784 2.717 -5.074 438 H ASP 58 H ASP 58 -11.162 -0.086 -4.617 439 HA ASP 58 HA ASP 58 -11.528 -1.987 -2.429 440 HB2 ASP 58 HB3 ASP 58 -12.297 -2.250 -5.319 441 HB3 ASP 58 HB2 ASP 58 -12.330 -3.607 -4.210 442 H ASN 59 H ASN 59 -9.775 -1.316 -5.185 443 HA ASN 59 HA ASN 59 -8.403 -3.851 -5.090 444 HB2 ASN 59 HB3 ASN 59 -8.059 -1.502 -6.923 445 HB3 ASN 59 HB2 ASN 59 -7.128 -3.000 -7.042 446 HD21 ASN 59 HD22 ASN 59 -10.001 -1.464 -7.794 447 HD22 ASN 59 HD21 ASN 59 -10.846 -2.818 -8.407 448 H LEU 60 H LEU 60 -6.904 -4.376 -4.164 449 HA LEU 60 HA LEU 60 -4.917 -2.521 -3.125 450 HB2 LEU 60 HB3 LEU 60 -4.684 -4.072 -1.184 451 HB3 LEU 60 HB2 LEU 60 -6.179 -3.180 -1.285 452 HG LEU 60 HG LEU 60 -7.279 -5.260 -2.156 453 HD11 LEU 60 HD11 LEU 60 -4.600 -6.417 -1.628 454 HD12 LEU 60 HD12 LEU 60 -5.596 -6.482 -3.079 455 HD13 LEU 60 HD13 LEU 60 -6.072 -7.418 -1.648 456 HD21 LEU 60 HD21 LEU 60 -5.982 -5.771 0.485 457 HD22 LEU 60 HD22 LEU 60 -7.625 -6.168 -0.033 458 HD23 LEU 60 HD23 LEU 60 -7.160 -4.485 0.227 459 H SER 61 H SER 61 -5.315 -5.288 -4.852 460 HA SER 61 HA SER 61 -3.122 -6.792 -4.331 461 HB2 SER 61 HB3 SER 61 -4.868 -7.576 -5.901 462 HB3 SER 61 HB2 SER 61 -4.223 -6.526 -7.157 463 HG SER 61 HG SER 61 -2.800 -8.609 -5.871 464 H TYR 62 H TYR 62 -3.026 -3.990 -6.174 465 HA TYR 62 HA TYR 62 -0.343 -4.008 -7.227 466 HB2 TYR 62 HB3 TYR 62 -1.883 -2.093 -7.760 467 HB3 TYR 62 HB2 TYR 62 -1.818 -1.577 -6.078 468 HD1 TYR 62 HD1 TYR 62 0.144 -1.832 -9.216 469 HD2 TYR 62 HD2 TYR 62 0.105 -0.320 -5.231 470 HE1 TYR 62 HE1 TYR 62 2.210 -0.614 -9.624 471 HE2 TYR 62 HE2 TYR 62 2.229 0.733 -5.604 472 HH TYR 62 HH TYR 62 4.159 0.208 -8.287 473 H ILE 63 H ILE 63 -1.635 -2.826 -4.188 474 HA ILE 63 HA ILE 63 0.922 -2.200 -3.043 475 HB ILE 63 HB ILE 63 -0.205 -1.197 -1.259 476 HG12 ILE 63 HG13 ILE 63 -2.805 -2.402 -2.148 477 HG13 ILE 63 HG12 ILE 63 -1.839 -3.170 -0.874 478 HG21 ILE 63 HG21 ILE 63 -1.757 -0.920 -3.697 479 HG22 ILE 63 HG22 ILE 63 -0.297 -0.033 -3.220 480 HG23 ILE 63 HG23 ILE 63 -1.812 0.176 -2.312 481 HD11 ILE 63 HD11 ILE 63 -2.698 -0.327 -0.830 482 HD12 ILE 63 HD12 ILE 63 -1.937 -1.285 0.427 483 HD13 ILE 63 HD13 ILE 63 -3.625 -1.647 -0.041 484 H GLU 64 H GLU 64 -1.204 -4.795 -3.083 485 HA GLU 64 HA GLU 64 -0.573 -6.121 -0.596 486 HB2 GLU 64 HB3 GLU 64 -2.578 -6.691 -1.945 487 HB3 GLU 64 HB2 GLU 64 -1.516 -7.261 -3.224 488 HG2 GLU 64 HG3 GLU 64 -0.691 -9.020 -1.755 489 HG3 GLU 64 HG2 GLU 64 -1.754 -8.448 -0.479 490 H HIS 65 H HIS 65 0.472 -6.715 -3.939 491 HA HIS 65 HA HIS 65 2.670 -8.357 -3.527 492 HB2 HIS 65 HB3 HIS 65 1.637 -7.659 -5.677 493 HB3 HIS 65 HB2 HIS 65 2.112 -6.015 -5.328 494 HD1 HIS 65 HD1 HIS 65 4.002 -9.326 -5.818 495 HD2 HIS 65 HD2 HIS 65 4.164 -5.277 -6.703 496 HE1 HIS 65 HE1 HIS 65 5.996 -9.072 -7.336 497 H ILE 66 H ILE 66 2.780 -4.973 -3.730 498 HA ILE 66 HA ILE 66 5.279 -4.524 -3.189 499 HB ILE 66 HB ILE 66 3.125 -2.950 -1.853 500 HG12 ILE 66 HG13 ILE 66 2.837 -3.311 -4.070 501 HG13 ILE 66 HG12 ILE 66 3.139 -1.560 -3.964 502 HG21 ILE 66 HG21 ILE 66 6.057 -2.179 -2.303 503 HG22 ILE 66 HG22 ILE 66 5.187 -2.221 -0.783 504 HG23 ILE 66 HG23 ILE 66 4.803 -0.989 -1.964 505 HD11 ILE 66 HD11 ILE 66 4.208 -3.490 -5.643 506 HD12 ILE 66 HD12 ILE 66 5.512 -3.121 -4.501 507 HD13 ILE 66 HD13 ILE 66 4.742 -1.811 -5.454 508 H PHE 67 H PHE 67 2.798 -5.002 -0.509 509 HA PHE 67 HA PHE 67 4.683 -4.772 1.365 510 HB2 PHE 67 HB3 PHE 67 1.954 -6.029 1.404 511 HB3 PHE 67 HB2 PHE 67 2.943 -5.678 2.833 512 HD1 PHE 67 HD1 PHE 67 3.940 -3.178 2.693 513 HD2 PHE 67 HD2 PHE 67 0.354 -4.572 0.993 514 HE1 PHE 67 HE1 PHE 67 3.096 -0.876 2.653 515 HE2 PHE 67 HE2 PHE 67 -0.525 -2.280 0.948 516 HZ PHE 67 HZ PHE 67 0.866 -0.418 1.783 517 H GLU 68 H GLU 68 3.788 -7.584 -0.719 518 HA GLU 68 HA GLU 68 4.754 -9.488 1.151 519 HB2 GLU 68 HB3 GLU 68 3.114 -10.049 -0.555 520 HB3 GLU 68 HB2 GLU 68 4.234 -9.567 -1.832 521 HG2 GLU 68 HG3 GLU 68 5.741 -11.389 -1.114 522 HG3 GLU 68 HG2 GLU 68 4.533 -11.866 0.079 523 H ILE 69 H ILE 69 5.901 -8.146 -1.912 524 HA ILE 69 HA ILE 69 8.288 -9.363 -1.938 525 HB ILE 69 HB ILE 69 9.022 -7.832 -3.630 526 HG12 ILE 69 HG13 ILE 69 6.456 -6.327 -3.027 527 HG13 ILE 69 HG12 ILE 69 8.105 -5.745 -2.786 528 HG21 ILE 69 HG21 ILE 69 7.799 -9.048 -5.028 529 HG22 ILE 69 HG22 ILE 69 6.332 -8.191 -4.546 530 HG23 ILE 69 HG23 ILE 69 6.875 -9.597 -3.621 531 HD11 ILE 69 HD11 ILE 69 6.503 -5.559 -5.040 532 HD12 ILE 69 HD12 ILE 69 7.803 -6.716 -5.376 533 HD13 ILE 69 HD13 ILE 69 8.220 -5.077 -4.826 534 H SER 70 H SER 70 7.551 -6.340 -0.502 535 HA SER 70 HA SER 70 10.291 -5.771 0.165 536 HB2 SER 70 HB3 SER 70 8.711 -3.958 -0.394 537 HB3 SER 70 HB2 SER 70 7.693 -4.452 0.948 538 HG SER 70 HG SER 70 9.196 -3.723 2.368 539 H ARG 71 H ARG 71 11.107 -5.961 2.252 540 HA ARG 71 HA ARG 71 9.989 -8.129 3.583 541 HB2 ARG 71 HB3 ARG 71 12.475 -6.609 4.311 542 HB3 ARG 71 HB2 ARG 71 11.940 -8.123 5.042 543 HG2 ARG 71 HG3 ARG 71 12.548 -7.686 2.175 544 HG3 ARG 71 HG2 ARG 71 13.616 -8.541 3.323 545 HD2 ARG 71 HD3 ARG 71 10.852 -9.267 2.406 546 HD3 ARG 71 HD2 ARG 71 12.321 -10.077 1.871 547 HE ARG 71 HE ARG 71 10.722 -10.771 4.005 548 HH11 ARG 71 HH11 ARG 71 14.276 -10.266 3.683 549 HH12 ARG 71 HH12 ARG 71 14.601 -11.480 4.808 550 HH21 ARG 71 HH22 ARG 71 11.285 -12.356 5.551 551 HH22 ARG 71 HH21 ARG 71 12.887 -12.644 5.977 552 H ARG 72 H ARG 72 8.090 -6.658 3.981 553 HA ARG 72 HA ARG 72 7.987 -6.081 6.814 554 HB2 ARG 72 HB3 ARG 72 7.195 -3.963 4.790 555 HB3 ARG 72 HB2 ARG 72 6.624 -3.940 6.460 556 HG2 ARG 72 HG3 ARG 72 9.509 -4.055 5.697 557 HG3 ARG 72 HG2 ARG 72 8.629 -2.537 6.058 558 HD2 ARG 72 HD3 ARG 72 8.753 -4.877 7.939 559 HD3 ARG 72 HD2 ARG 72 9.978 -3.605 7.971 560 HE ARG 72 HE ARG 72 7.725 -2.197 8.132 561 HH11 ARG 72 HH11 ARG 72 8.320 -5.124 10.031 562 HH12 ARG 72 HH12 ARG 72 7.944 -4.410 11.503 563 HH21 ARG 72 HH22 ARG 72 7.372 -1.177 10.107 564 HH22 ARG 72 HH21 ARG 72 7.408 -2.015 11.598 565 HA PRO 73 HA PRO 73 4.654 -8.780 5.200 566 HB2 PRO 73 HB2 PRO 73 5.264 -10.298 7.626 567 HB3 PRO 73 HB3 PRO 73 5.215 -10.825 5.942 568 HG2 PRO 73 HG3 PRO 73 7.517 -10.531 7.371 569 HG3 PRO 73 HG2 PRO 73 7.422 -10.409 5.608 570 HD2 PRO 73 HD3 PRO 73 7.648 -8.248 7.650 571 HD3 PRO 73 HD2 PRO 73 8.258 -8.325 5.985 572 H ASP 74 H ASP 74 5.210 -6.922 8.037 573 HA ASP 74 HA ASP 74 2.899 -7.744 9.569 574 HB2 ASP 74 HB3 ASP 74 4.487 -5.165 9.674 575 HB3 ASP 74 HB2 ASP 74 3.285 -5.658 10.862 576 H LEU 75 H LEU 75 3.642 -5.234 7.544 577 HA LEU 75 HA LEU 75 1.028 -4.057 7.434 578 HB2 LEU 75 HB3 LEU 75 3.253 -3.701 5.439 579 HB3 LEU 75 HB2 LEU 75 1.722 -2.873 5.312 580 HG LEU 75 HG LEU 75 2.213 -1.606 7.399 581 HD11 LEU 75 HD11 LEU 75 5.039 -2.653 7.366 582 HD12 LEU 75 HD12 LEU 75 3.792 -3.515 8.267 583 HD13 LEU 75 HD13 LEU 75 4.134 -1.825 8.636 584 HD21 LEU 75 HD21 LEU 75 4.526 -1.525 5.543 585 HD22 LEU 75 HD22 LEU 75 3.774 -0.201 6.422 586 HD23 LEU 75 HD23 LEU 75 2.918 -0.980 5.092 587 H LEU 76 H LEU 76 2.648 -6.085 5.301 588 HA LEU 76 HA LEU 76 0.697 -6.701 3.285 589 HB2 LEU 76 HB3 LEU 76 2.875 -8.083 3.343 590 HB3 LEU 76 HB2 LEU 76 2.060 -9.019 4.620 591 HG LEU 76 HG LEU 76 0.206 -9.319 2.994 592 HD11 LEU 76 HD11 LEU 76 0.122 -8.415 1.199 593 HD12 LEU 76 HD12 LEU 76 1.414 -9.478 0.628 594 HD13 LEU 76 HD13 LEU 76 1.807 -7.893 1.279 595 HD21 LEU 76 HD21 LEU 76 2.019 -11.084 1.781 596 HD22 LEU 76 HD22 LEU 76 0.903 -11.348 3.136 597 HD23 LEU 76 HD23 LEU 76 2.560 -10.828 3.461 598 H THR 77 H THR 77 1.155 -8.315 6.202 599 HA THR 77 HA THR 77 -0.978 -9.962 6.480 600 HB THR 77 HB THR 77 0.421 -8.367 8.541 601 HG1 THR 77 HG1 THR 77 1.827 -9.767 7.781 602 HG21 THR 77 HG21 THR 77 -1.578 -10.520 8.825 603 HG22 THR 77 HG22 THR 77 -1.500 -8.900 9.550 604 HG23 THR 77 HG23 THR 77 -0.362 -10.177 10.105 605 H MET 78 H MET 78 -0.863 -6.609 7.407 606 HA MET 78 HA MET 78 -3.542 -6.450 8.294 607 HB2 MET 78 HB3 MET 78 -1.751 -4.229 7.336 608 HB3 MET 78 HB2 MET 78 -3.349 -3.988 8.038 609 HG2 MET 78 HG3 MET 78 -1.140 -5.478 9.404 610 HG3 MET 78 HG2 MET 78 -1.530 -3.768 9.742 611 HE1 MET 78 HE1 MET 78 -1.456 -4.575 12.095 612 HE2 MET 78 HE2 MET 78 -1.761 -6.306 12.240 613 HE3 MET 78 HE3 MET 78 -2.880 -5.161 12.967 614 H VAL 79 H VAL 79 -2.157 -6.087 5.092 615 HA VAL 79 HA VAL 79 -4.547 -5.159 3.808 616 HB VAL 79 HB VAL 79 -2.172 -6.672 2.694 617 HG11 VAL 79 HG11 VAL 79 -3.234 -4.747 0.881 618 HG12 VAL 79 HG12 VAL 79 -4.523 -5.826 1.428 619 HG13 VAL 79 HG13 VAL 79 -3.068 -6.493 0.686 620 HG21 VAL 79 HG21 VAL 79 -1.048 -4.948 3.476 621 HG22 VAL 79 HG22 VAL 79 -2.458 -3.904 3.593 622 HG23 VAL 79 HG23 VAL 79 -1.648 -4.113 2.034 623 H VAL 80 H VAL 80 -2.907 -8.233 4.098 624 HA VAL 80 HA VAL 80 -4.781 -9.961 2.919 625 HB VAL 80 HB VAL 80 -2.874 -10.485 5.256 626 HG11 VAL 80 HG11 VAL 80 -3.105 -12.814 4.845 627 HG12 VAL 80 HG12 VAL 80 -4.204 -12.523 3.475 628 HG13 VAL 80 HG13 VAL 80 -4.698 -12.107 5.128 629 HG21 VAL 80 HG21 VAL 80 -2.457 -10.188 2.409 630 HG22 VAL 80 HG22 VAL 80 -1.905 -11.762 3.005 631 HG23 VAL 80 HG23 VAL 80 -1.301 -10.267 3.727 632 H ASP 81 H ASP 81 -4.400 -9.114 6.106 633 HA ASP 81 HA ASP 81 -6.546 -10.309 7.432 634 HB2 ASP 81 HB3 ASP 81 -4.847 -9.112 8.729 635 HB3 ASP 81 HB2 ASP 81 -5.421 -7.578 8.110 636 H TYR 82 H TYR 82 -6.348 -7.157 6.058 637 HA TYR 82 HA TYR 82 -8.950 -6.065 6.407 638 HB2 TYR 82 HB3 TYR 82 -7.219 -4.690 5.642 639 HB3 TYR 82 HB2 TYR 82 -6.923 -5.740 4.243 640 HD1 TYR 82 HD2 TYR 82 -9.632 -3.795 5.817 641 HD2 TYR 82 HD1 TYR 82 -7.753 -5.121 2.311 642 HE1 TYR 82 HE2 TYR 82 -11.204 -2.454 4.466 643 HE2 TYR 82 HE1 TYR 82 -9.299 -3.855 0.932 644 HH TYR 82 HH TYR 82 -10.978 -2.406 0.936 645 H ARG 83 H ARG 83 -7.566 -7.777 3.615 646 HA ARG 83 HA ARG 83 -9.727 -7.772 1.963 647 HB2 ARG 83 HB3 ARG 83 -7.530 -8.163 1.210 648 HB3 ARG 83 HB2 ARG 83 -7.265 -9.421 2.373 649 HG2 ARG 83 HG3 ARG 83 -9.153 -9.747 0.131 650 HG3 ARG 83 HG2 ARG 83 -7.399 -10.001 -0.093 651 HD2 ARG 83 HD3 ARG 83 -7.541 -11.634 1.768 652 HD3 ARG 83 HD2 ARG 83 -9.294 -11.452 1.765 653 HE ARG 83 HE ARG 83 -8.441 -12.038 -0.819 654 HH11 ARG 83 HH11 ARG 83 -8.745 -13.660 2.314 655 HH12 ARG 83 HH12 ARG 83 -8.828 -15.231 1.671 656 HH21 ARG 83 HH22 ARG 83 -8.506 -14.158 -1.716 657 HH22 ARG 83 HH21 ARG 83 -8.569 -15.541 -0.716 658 H THR 84 H THR 84 -8.719 -10.033 4.025 659 HA THR 84 HA THR 84 -10.841 -11.956 3.837 660 HB THR 84 HB THR 84 -9.072 -11.419 6.166 661 HG1 THR 84 HG1 THR 84 -7.663 -11.937 4.655 662 HG21 THR 84 HG21 THR 84 -9.429 -13.971 6.304 663 HG22 THR 84 HG22 THR 84 -10.881 -13.540 5.349 664 HG23 THR 84 HG23 THR 84 -10.607 -12.754 6.923 665 H ARG 85 H ARG 85 -10.189 -10.049 6.338 666 HA ARG 85 HA ARG 85 -12.353 -10.287 7.878 667 HB2 ARG 85 HB3 ARG 85 -11.772 -8.494 9.426 668 HB3 ARG 85 HB2 ARG 85 -10.316 -9.231 8.798 669 HG2 ARG 85 HG3 ARG 85 -9.708 -7.012 8.835 670 HG3 ARG 85 HG2 ARG 85 -10.368 -7.085 7.199 671 HD2 ARG 85 HD3 ARG 85 -12.480 -6.352 7.971 672 HD3 ARG 85 HD2 ARG 85 -11.924 -6.330 9.640 673 HE ARG 85 HE ARG 85 -11.889 -4.147 8.009 674 HH11 ARG 85 HH11 ARG 85 -9.043 -5.776 9.563 675 HH12 ARG 85 HH12 ARG 85 -8.302 -4.301 9.909 676 HH21 ARG 85 HH22 ARG 85 -10.896 -2.262 8.686 677 HH22 ARG 85 HH21 ARG 85 -9.326 -2.233 9.394 678 H VAL 86 H VAL 86 -11.997 -7.837 5.825 679 HA VAL 86 HA VAL 86 -14.638 -6.753 5.907 680 HB VAL 86 HB VAL 86 -12.656 -6.542 3.639 681 HG11 VAL 86 HG11 VAL 86 -14.747 -4.456 3.911 682 HG12 VAL 86 HG12 VAL 86 -15.374 -6.015 3.382 683 HG13 VAL 86 HG13 VAL 86 -14.110 -5.209 2.452 684 HG21 VAL 86 HG21 VAL 86 -11.661 -5.147 5.083 685 HG22 VAL 86 HG22 VAL 86 -13.021 -5.285 6.195 686 HG23 VAL 86 HG23 VAL 86 -13.067 -4.097 4.898 687 H LEU 87 H LEU 87 -13.355 -9.354 4.005 688 HA LEU 87 HA LEU 87 -15.706 -9.849 2.447 689 HB2 LEU 87 HB3 LEU 87 -13.478 -11.676 3.319 690 HB3 LEU 87 HB2 LEU 87 -14.806 -12.229 2.290 691 HG LEU 87 HG LEU 87 -12.726 -10.129 1.654 692 HD11 LEU 87 HD11 LEU 87 -12.039 -12.557 1.667 693 HD12 LEU 87 HD12 LEU 87 -11.759 -11.666 0.170 694 HD13 LEU 87 HD13 LEU 87 -13.119 -12.778 0.287 695 HD21 LEU 87 HD21 LEU 87 -14.802 -9.526 0.601 696 HD22 LEU 87 HD22 LEU 87 -15.012 -11.163 -0.034 697 HD23 LEU 87 HD23 LEU 87 -13.687 -10.152 -0.609 698 H LYS 88 H LYS 88 -14.564 -11.110 5.457 699 HA LYS 88 HA LYS 88 -16.829 -12.665 5.975 700 HB2 LYS 88 HB3 LYS 88 -14.784 -13.228 7.153 701 HB3 LYS 88 HB2 LYS 88 -14.771 -11.645 7.937 702 HG2 LYS 88 HG3 LYS 88 -15.446 -13.489 9.462 703 HG3 LYS 88 HG2 LYS 88 -16.676 -12.244 9.283 704 HD2 LYS 88 HD3 LYS 88 -17.867 -13.665 7.674 705 HD3 LYS 88 HD2 LYS 88 -16.642 -14.922 7.869 706 HE2 LYS 88 HE3 LYS 88 -17.218 -15.169 10.187 707 HE3 LYS 88 HE2 LYS 88 -18.357 -13.818 10.097 708 HZ1 LYS 88 HZ1 LYS 88 -19.358 -16.098 9.990 709 HZ2 LYS 88 HZ2 LYS 88 -18.637 -16.298 8.478 710 HZ3 LYS 88 HZ3 LYS 88 -19.779 -15.061 8.735 711 H ILE 89 H ILE 89 -16.280 -9.244 6.690 712 HA ILE 89 HA ILE 89 -18.469 -8.909 8.404 713 HB ILE 89 HB ILE 89 -16.771 -7.176 6.666 714 HG12 ILE 89 HG13 ILE 89 -16.888 -7.393 9.676 715 HG13 ILE 89 HG12 ILE 89 -15.618 -7.996 8.611 716 HG21 ILE 89 HG21 ILE 89 -18.551 -5.773 8.533 717 HG22 ILE 89 HG22 ILE 89 -19.131 -6.451 6.974 718 HG23 ILE 89 HG23 ILE 89 -17.799 -5.311 6.977 719 HD11 ILE 89 HD11 ILE 89 -15.699 -5.560 9.905 720 HD12 ILE 89 HD12 ILE 89 -16.069 -5.186 8.225 721 HD13 ILE 89 HD13 ILE 89 -14.581 -6.041 8.615 722 H SER 90 H SER 90 -17.865 -8.490 4.958 723 HA SER 90 HA SER 90 -20.518 -7.508 4.488 724 HB2 SER 90 HB3 SER 90 -18.300 -8.247 2.624 725 HB3 SER 90 HB2 SER 90 -19.764 -7.334 2.178 726 HG SER 90 HG SER 90 -17.567 -6.612 3.734 Start of MODEL 15 1 H1 MET 1 H MET 1 -12.583 3.502 0.655 2 H2 MET 1 H2 MET 1 -12.710 2.274 -0.449 3 H3 MET 1 H3 MET 1 -13.807 3.593 -0.477 4 HA MET 1 HA MET 1 -15.062 2.697 1.072 5 HB2 MET 1 HB3 MET 1 -13.175 0.320 0.796 6 HB3 MET 1 HB2 MET 1 -14.727 0.231 1.600 7 HG2 MET 1 HG3 MET 1 -15.809 0.909 -0.561 8 HG3 MET 1 HG2 MET 1 -14.231 0.836 -1.313 9 HE1 MET 1 HE1 MET 1 -12.935 -1.796 -1.776 10 HE2 MET 1 HE2 MET 1 -13.453 -3.073 -0.674 11 HE3 MET 1 HE3 MET 1 -12.863 -1.536 -0.034 12 H ALA 2 H ALA 2 -15.224 2.758 3.202 13 HA ALA 2 HA ALA 2 -13.149 4.156 4.519 14 HB1 ALA 2 HB1 ALA 2 -15.084 2.931 6.415 15 HB2 ALA 2 HB2 ALA 2 -15.753 3.913 5.116 16 HB3 ALA 2 HB3 ALA 2 -14.597 4.620 6.248 17 H GLU 3 H GLU 3 -14.161 1.045 5.652 18 HA GLU 3 HA GLU 3 -12.052 0.583 7.225 19 HB2 GLU 3 HB3 GLU 3 -13.381 -1.547 5.513 20 HB3 GLU 3 HB2 GLU 3 -12.223 -1.925 6.781 21 HG2 GLU 3 HG3 GLU 3 -14.478 -2.296 7.603 22 HG3 GLU 3 HG2 GLU 3 -13.725 -0.971 8.460 23 H TYR 4 H TYR 4 -12.093 0.224 4.036 24 HA TYR 4 HA TYR 4 -9.417 -0.670 3.467 25 HB2 TYR 4 HB3 TYR 4 -10.898 -0.548 1.532 26 HB3 TYR 4 HB2 TYR 4 -10.802 1.251 1.498 27 HD1 TYR 4 HD1 TYR 4 -8.411 -1.571 1.796 28 HD2 TYR 4 HD2 TYR 4 -9.551 1.823 -0.587 29 HE1 TYR 4 HE1 TYR 4 -6.549 -1.997 0.273 30 HE2 TYR 4 HE2 TYR 4 -7.698 1.390 -2.038 31 HH TYR 4 HH TYR 4 -6.309 -0.648 -2.713 32 H GLY 5 H GLY 5 -10.774 2.426 3.669 33 HA2 GLY 5 HA3 GLY 5 -8.598 4.229 3.455 34 HA3 GLY 5 HA2 GLY 5 -9.978 4.599 4.485 35 H THR 6 H THR 6 -9.783 2.697 6.546 36 HA THR 6 HA THR 6 -7.598 3.595 8.126 37 HB THR 6 HB THR 6 -9.391 1.199 8.393 38 HG1 THR 6 HG1 THR 6 -9.938 3.816 8.437 39 HG21 THR 6 HG21 THR 6 -9.001 1.825 10.845 40 HG22 THR 6 HG22 THR 6 -7.647 2.755 10.201 41 HG23 THR 6 HG23 THR 6 -7.716 1.003 9.918 42 H LEU 7 H LEU 7 -8.313 0.709 6.433 43 HA LEU 7 HA LEU 7 -6.077 -0.928 6.892 44 HB2 LEU 7 HB3 LEU 7 -7.832 -1.676 5.524 45 HB3 LEU 7 HB2 LEU 7 -7.470 -0.479 4.312 46 HG LEU 7 HG LEU 7 -6.977 -2.876 3.983 47 HD11 LEU 7 HD11 LEU 7 -4.793 -0.838 3.433 48 HD12 LEU 7 HD12 LEU 7 -6.273 -1.125 2.485 49 HD13 LEU 7 HD13 LEU 7 -5.014 -2.361 2.534 50 HD21 LEU 7 HD21 LEU 7 -5.358 -3.963 5.046 51 HD22 LEU 7 HD22 LEU 7 -5.496 -2.667 6.228 52 HD23 LEU 7 HD23 LEU 7 -4.256 -2.589 4.977 53 H LEU 8 H LEU 8 -6.159 1.332 4.492 54 HA LEU 8 HA LEU 8 -3.383 1.465 3.757 55 HB2 LEU 8 HB3 LEU 8 -5.351 3.744 3.591 56 HB3 LEU 8 HB2 LEU 8 -3.650 3.877 3.146 57 HG LEU 8 HG LEU 8 -3.929 2.405 1.286 58 HD11 LEU 8 HD11 LEU 8 -5.445 0.776 2.318 59 HD12 LEU 8 HD12 LEU 8 -5.985 1.284 0.725 60 HD13 LEU 8 HD13 LEU 8 -6.759 1.928 2.170 61 HD21 LEU 8 HD21 LEU 8 -5.560 4.740 1.609 62 HD22 LEU 8 HD22 LEU 8 -6.322 3.604 0.493 63 HD23 LEU 8 HD23 LEU 8 -4.664 4.154 0.200 64 H GLN 9 H GLN 9 -5.064 3.093 6.224 65 HA GLN 9 HA GLN 9 -2.930 4.561 7.321 66 HB2 GLN 9 HB3 GLN 9 -5.002 5.575 7.390 67 HB3 GLN 9 HB2 GLN 9 -5.761 4.070 7.884 68 HG2 GLN 9 HG3 GLN 9 -5.340 4.232 9.811 69 HG3 GLN 9 HG2 GLN 9 -3.849 5.249 9.825 70 HE21 GLN 9 HE22 GLN 9 -4.205 7.396 10.009 71 HE22 GLN 9 HE21 GLN 9 -5.738 8.135 10.327 72 H ASP 10 H ASP 10 -4.058 1.541 7.694 73 HA ASP 10 HA ASP 10 -3.324 0.838 10.448 74 HB2 ASP 10 HB3 ASP 10 -4.108 -0.884 8.097 75 HB3 ASP 10 HB2 ASP 10 -3.487 -1.620 9.569 76 H LEU 11 H LEU 11 -1.995 0.422 7.210 77 HA LEU 11 HA LEU 11 0.392 -0.664 8.204 78 HB2 LEU 11 HB3 LEU 11 1.059 -0.818 5.906 79 HB3 LEU 11 HB2 LEU 11 -0.453 -1.666 6.224 80 HG LEU 11 HG LEU 11 -1.404 0.593 5.288 81 HD11 LEU 11 HD11 LEU 11 0.904 0.612 3.495 82 HD12 LEU 11 HD12 LEU 11 1.229 1.090 5.169 83 HD13 LEU 11 HD13 LEU 11 -0.001 1.936 4.259 84 HD21 LEU 11 HD21 LEU 11 -1.638 -1.774 4.414 85 HD22 LEU 11 HD22 LEU 11 -0.228 -1.482 3.421 86 HD23 LEU 11 HD23 LEU 11 -1.686 -0.528 3.178 87 H THR 12 H THR 12 -0.817 2.312 7.202 88 HA THR 12 HA THR 12 1.607 3.823 6.835 89 HB THR 12 HB THR 12 -1.260 4.613 7.250 90 HG1 THR 12 HG1 THR 12 -0.935 3.805 5.299 91 HG21 THR 12 HG21 THR 12 1.027 6.260 7.492 92 HG22 THR 12 HG22 THR 12 -0.722 6.576 7.728 93 HG23 THR 12 HG23 THR 12 -0.023 6.649 6.072 94 H ASN 13 H ASN 13 -0.446 3.199 9.615 95 HA ASN 13 HA ASN 13 0.984 4.840 11.480 96 HB2 ASN 13 HB3 ASN 13 -0.732 2.399 12.033 97 HB3 ASN 13 HB2 ASN 13 0.033 3.333 13.306 98 HD21 ASN 13 HD22 ASN 13 -2.845 2.816 11.976 99 HD22 ASN 13 HD21 ASN 13 -3.563 4.371 12.167 100 H ASN 14 H ASN 14 1.498 1.713 10.198 101 HA ASN 14 HA ASN 14 3.619 1.089 12.097 102 HB2 ASN 14 HB3 ASN 14 2.497 -0.545 9.796 103 HB3 ASN 14 HB2 ASN 14 3.780 -1.084 10.868 104 HD21 ASN 14 HD22 ASN 14 1.838 0.582 12.902 105 HD22 ASN 14 HD21 ASN 14 0.751 -0.680 13.370 106 H ILE 15 H ILE 15 3.316 2.586 9.134 107 HA ILE 15 HA ILE 15 5.770 1.859 7.864 108 HB ILE 15 HB ILE 15 3.586 3.840 7.373 109 HG12 ILE 15 HG13 ILE 15 3.393 1.562 6.447 110 HG13 ILE 15 HG12 ILE 15 3.334 2.833 5.216 111 HG21 ILE 15 HG21 ILE 15 6.244 4.184 6.108 112 HG22 ILE 15 HG22 ILE 15 5.108 5.382 6.783 113 HG23 ILE 15 HG23 ILE 15 4.745 4.569 5.257 114 HD11 ILE 15 HD11 ILE 15 6.033 1.898 5.668 115 HD12 ILE 15 HD12 ILE 15 5.109 2.093 4.188 116 HD13 ILE 15 HD13 ILE 15 4.943 0.616 5.120 117 H THR 16 H THR 16 7.734 2.515 8.395 118 HA THR 16 HA THR 16 8.140 5.063 9.639 119 HB THR 16 HB THR 16 10.438 4.510 9.747 120 HG1 THR 16 HG1 THR 16 10.396 1.913 8.743 121 HG21 THR 16 HG21 THR 16 10.474 2.694 11.153 122 HG22 THR 16 HG22 THR 16 9.034 2.021 10.312 123 HG23 THR 16 HG23 THR 16 8.893 3.548 11.257 124 H LEU 17 H LEU 17 9.208 6.371 8.528 125 HA LEU 17 HA LEU 17 8.606 6.774 5.800 126 HB2 LEU 17 HB3 LEU 17 9.772 8.494 7.422 127 HB3 LEU 17 HB2 LEU 17 11.263 7.847 6.809 128 HG LEU 17 HG LEU 17 9.163 9.385 5.270 129 HD11 LEU 17 HD11 LEU 17 10.995 10.471 6.840 130 HD12 LEU 17 HD12 LEU 17 10.400 11.204 5.348 131 HD13 LEU 17 HD13 LEU 17 11.920 10.331 5.339 132 HD21 LEU 17 HD21 LEU 17 11.093 9.380 3.501 133 HD22 LEU 17 HD22 LEU 17 9.871 8.117 3.532 134 HD23 LEU 17 HD23 LEU 17 11.460 7.801 4.223 135 H GLU 18 H GLU 18 11.447 5.310 7.185 136 HA GLU 18 HA GLU 18 12.785 4.496 4.799 137 HB2 GLU 18 HB3 GLU 18 12.882 2.964 7.379 138 HB3 GLU 18 HB2 GLU 18 14.011 2.808 6.049 139 HG2 GLU 18 HG3 GLU 18 14.669 5.144 6.350 140 HG3 GLU 18 HG2 GLU 18 13.635 5.197 7.787 141 H ASP 19 H ASP 19 10.621 2.754 6.768 142 HA ASP 19 HA ASP 19 10.499 0.363 5.326 143 HB2 ASP 19 HB3 ASP 19 8.172 1.633 6.855 144 HB3 ASP 19 HB2 ASP 19 8.065 0.011 6.106 145 H LEU 20 H LEU 20 8.311 3.092 4.886 146 HA LEU 20 HA LEU 20 7.216 2.360 2.501 147 HB2 LEU 20 HB3 LEU 20 6.759 4.528 3.830 148 HB3 LEU 20 HB2 LEU 20 8.126 5.096 2.832 149 HG LEU 20 HG LEU 20 7.030 4.576 0.840 150 HD11 LEU 20 HD11 LEU 20 4.685 3.748 2.559 151 HD12 LEU 20 HD12 LEU 20 5.596 2.765 1.421 152 HD13 LEU 20 HD13 LEU 20 4.579 4.080 0.829 153 HD21 LEU 20 HD21 LEU 20 6.141 6.598 0.810 154 HD22 LEU 20 HD22 LEU 20 6.538 6.656 2.530 155 HD23 LEU 20 HD23 LEU 20 4.924 6.153 2.004 156 H GLU 21 H GLU 21 10.316 3.963 2.956 157 HA GLU 21 HA GLU 21 11.106 4.508 0.335 158 HB2 GLU 21 HB3 GLU 21 12.759 3.507 2.657 159 HB3 GLU 21 HB2 GLU 21 13.469 4.006 1.141 160 HG2 GLU 21 HG3 GLU 21 11.771 5.771 2.801 161 HG3 GLU 21 HG2 GLU 21 13.535 5.652 3.045 162 H GLN 22 H GLN 22 11.321 1.792 2.236 163 HA GLN 22 HA GLN 22 12.684 0.033 0.439 164 HB2 GLN 22 HB3 GLN 22 12.759 -0.629 2.755 165 HB3 GLN 22 HB2 GLN 22 10.994 -0.801 2.788 166 HG2 GLN 22 HG3 GLN 22 11.132 -2.667 1.236 167 HG3 GLN 22 HG2 GLN 22 12.874 -2.470 1.119 168 HE21 GLN 22 HE22 GLN 22 13.751 -4.066 2.052 169 HE22 GLN 22 HE21 GLN 22 13.363 -4.690 3.626 170 H LEU 23 H LEU 23 9.188 0.384 1.165 171 HA LEU 23 HA LEU 23 8.339 -1.501 -0.584 172 HB2 LEU 23 HB3 LEU 23 7.114 1.158 0.276 173 HB3 LEU 23 HB2 LEU 23 6.232 -0.127 -0.522 174 HG LEU 23 HG LEU 23 7.493 -0.297 2.203 175 HD11 LEU 23 HD11 LEU 23 4.576 -0.116 1.551 176 HD12 LEU 23 HD12 LEU 23 5.574 1.321 1.799 177 HD13 LEU 23 HD13 LEU 23 5.388 0.144 3.098 178 HD21 LEU 23 HD21 LEU 23 5.325 -2.098 1.714 179 HD22 LEU 23 HD22 LEU 23 6.971 -2.455 2.209 180 HD23 LEU 23 HD23 LEU 23 6.582 -2.324 0.494 181 H LYS 24 H LYS 24 9.093 1.762 -0.819 182 HA LYS 24 HA LYS 24 8.460 2.394 -3.560 183 HB2 LYS 24 HB3 LYS 24 10.642 3.726 -1.901 184 HB3 LYS 24 HB2 LYS 24 10.088 4.324 -3.432 185 HG2 LYS 24 HG3 LYS 24 8.372 4.252 -0.869 186 HG3 LYS 24 HG2 LYS 24 9.144 5.642 -1.565 187 HD2 LYS 24 HD3 LYS 24 6.806 5.662 -2.074 188 HD3 LYS 24 HD2 LYS 24 7.732 5.423 -3.553 189 HE2 LYS 24 HE3 LYS 24 5.742 4.014 -3.467 190 HE3 LYS 24 HE2 LYS 24 7.210 3.040 -3.494 191 HZ1 LYS 24 HZ1 LYS 24 5.894 2.092 -1.870 192 HZ2 LYS 24 HZ2 LYS 24 5.384 3.582 -1.252 193 HZ3 LYS 24 HZ3 LYS 24 6.967 3.057 -0.975 194 H SER 25 H SER 25 11.139 1.558 -2.266 195 HA SER 25 HA SER 25 13.028 1.055 -4.401 196 HB2 SER 25 HB3 SER 25 13.084 -0.615 -1.851 197 HB3 SER 25 HB2 SER 25 14.416 -0.502 -3.021 198 HG SER 25 HG SER 25 13.318 1.576 -1.433 199 H ALA 26 H ALA 26 10.991 -1.083 -2.924 200 HA ALA 26 HA ALA 26 11.142 -3.260 -4.799 201 HB1 ALA 26 HB1 ALA 26 9.574 -2.712 -2.487 202 HB2 ALA 26 HB2 ALA 26 9.728 -4.258 -3.333 203 HB3 ALA 26 HB3 ALA 26 8.464 -3.122 -3.797 204 H CYS 27 H CYS 27 8.936 -0.459 -4.550 205 HA CYS 27 HA CYS 27 7.545 -1.008 -6.871 206 HB2 CYS 27 HB3 CYS 27 7.812 1.624 -5.451 207 HB3 CYS 27 HB2 CYS 27 6.675 1.135 -6.693 208 HG CYS 27 HG CYS 27 5.727 -0.953 -4.984 209 H LYS 28 H LYS 28 10.698 -0.041 -6.876 210 HA LYS 28 HA LYS 28 10.814 2.282 -8.359 211 HB2 LYS 28 HB3 LYS 28 12.625 -0.093 -8.651 212 HB3 LYS 28 HB2 LYS 28 12.971 1.475 -9.404 213 HG2 LYS 28 HG3 LYS 28 13.048 2.462 -7.181 214 HG3 LYS 28 HG2 LYS 28 12.731 0.889 -6.462 215 HD2 LYS 28 HD3 LYS 28 15.104 1.371 -6.312 216 HD3 LYS 28 HD2 LYS 28 14.862 0.048 -7.445 217 HE2 LYS 28 HE3 LYS 28 15.343 2.943 -8.215 218 HE3 LYS 28 HE2 LYS 28 16.596 1.723 -8.137 219 HZ1 LYS 28 HZ1 LYS 28 15.594 2.264 -10.416 220 HZ2 LYS 28 HZ2 LYS 28 14.228 1.418 -9.910 221 HZ3 LYS 28 HZ3 LYS 28 15.735 0.653 -10.038 222 H GLU 29 H GLU 29 10.235 -0.895 -9.685 223 HA GLU 29 HA GLU 29 10.180 0.089 -12.351 224 HB2 GLU 29 HB3 GLU 29 9.204 -2.513 -11.255 225 HB3 GLU 29 HB2 GLU 29 9.260 -2.115 -12.964 226 HG2 GLU 29 HG3 GLU 29 11.711 -1.715 -12.704 227 HG3 GLU 29 HG2 GLU 29 11.570 -2.335 -11.064 228 H ASP 30 H ASP 30 7.789 -0.497 -9.870 229 HA ASP 30 HA ASP 30 5.593 -0.295 -11.652 230 HB2 ASP 30 HB3 ASP 30 5.777 -0.406 -8.664 231 HB3 ASP 30 HB2 ASP 30 4.274 -0.403 -9.544 232 H ILE 31 H ILE 31 6.823 1.794 -9.064 233 HA ILE 31 HA ILE 31 4.889 3.782 -9.948 234 HB ILE 31 HB ILE 31 4.883 2.982 -7.494 235 HG12 ILE 31 HG13 ILE 31 3.899 5.224 -8.099 236 HG13 ILE 31 HG12 ILE 31 4.451 5.070 -6.441 237 HG21 ILE 31 HG21 ILE 31 7.346 2.913 -7.311 238 HG22 ILE 31 HG22 ILE 31 6.470 3.680 -5.977 239 HG23 ILE 31 HG23 ILE 31 7.280 4.687 -7.165 240 HD11 ILE 31 HD11 ILE 31 5.019 7.180 -8.110 241 HD12 ILE 31 HD12 ILE 31 6.439 6.114 -8.254 242 HD13 ILE 31 HD13 ILE 31 5.869 6.697 -6.657 243 HA PRO 32 HA PRO 32 8.087 5.642 -11.974 244 HB2 PRO 32 HB2 PRO 32 6.838 8.270 -11.311 245 HB3 PRO 32 HB3 PRO 32 7.336 7.654 -12.886 246 HG2 PRO 32 HG3 PRO 32 4.767 7.655 -12.187 247 HG3 PRO 32 HG2 PRO 32 5.479 6.283 -13.086 248 HD2 PRO 32 HD3 PRO 32 4.815 6.503 -10.191 249 HD3 PRO 32 HD2 PRO 32 4.620 5.106 -11.271 250 H SER 33 H SER 33 9.873 6.305 -11.569 251 HA SER 33 HA SER 33 11.124 6.535 -9.013 252 HB2 SER 33 HB3 SER 33 12.456 6.006 -11.060 253 HB3 SER 33 HB2 SER 33 12.296 7.672 -11.586 254 HG SER 33 HG SER 33 13.495 8.280 -9.673 255 H GLU 34 H GLU 34 10.457 9.000 -11.257 256 HA GLU 34 HA GLU 34 10.852 11.530 -10.293 257 HB2 GLU 34 HB3 GLU 34 9.553 10.785 -12.346 258 HB3 GLU 34 HB2 GLU 34 8.184 10.596 -11.295 259 HG2 GLU 34 HG3 GLU 34 7.841 12.670 -12.320 260 HG3 GLU 34 HG2 GLU 34 8.518 13.006 -10.715 261 H LYS 35 H LYS 35 8.194 9.717 -9.775 262 HA LYS 35 HA LYS 35 6.975 11.292 -7.789 263 HB2 LYS 35 HB3 LYS 35 6.037 8.634 -8.894 264 HB3 LYS 35 HB2 LYS 35 5.064 9.786 -7.979 265 HG2 LYS 35 HG3 LYS 35 6.474 10.578 -10.467 266 HG3 LYS 35 HG2 LYS 35 4.794 9.995 -10.479 267 HD2 LYS 35 HD3 LYS 35 4.139 11.681 -9.033 268 HD3 LYS 35 HD2 LYS 35 5.774 12.216 -8.696 269 HE2 LYS 35 HE3 LYS 35 4.657 13.794 -10.274 270 HE3 LYS 35 HE2 LYS 35 6.035 13.034 -11.009 271 HZ1 LYS 35 HZ1 LYS 35 3.361 13.069 -11.853 272 HZ2 LYS 35 HZ2 LYS 35 3.857 11.437 -11.685 273 HZ3 LYS 35 HZ3 LYS 35 4.732 12.517 -12.635 274 H SER 36 H SER 36 8.144 7.962 -7.567 275 HA SER 36 HA SER 36 7.659 7.321 -4.978 276 HB2 SER 36 HB3 SER 36 8.524 5.907 -6.704 277 HB3 SER 36 HB2 SER 36 10.099 6.739 -6.673 278 HG SER 36 HG SER 36 10.641 5.536 -5.107 279 H GLU 37 H GLU 37 9.937 9.237 -6.147 280 HA GLU 37 HA GLU 37 11.544 9.737 -3.779 281 HB2 GLU 37 HB3 GLU 37 11.580 11.437 -6.279 282 HB3 GLU 37 HB2 GLU 37 12.626 11.714 -4.879 283 HG2 GLU 37 HG3 GLU 37 13.528 9.431 -5.110 284 HG3 GLU 37 HG2 GLU 37 12.499 9.205 -6.516 285 H GLU 38 H GLU 38 9.046 11.405 -5.075 286 HA GLU 38 HA GLU 38 8.917 13.379 -2.925 287 HB2 GLU 38 HB3 GLU 38 6.809 14.332 -3.708 288 HB3 GLU 38 HB2 GLU 38 8.009 14.218 -4.975 289 HG2 GLU 38 HG3 GLU 38 6.843 12.313 -5.903 290 HG3 GLU 38 HG2 GLU 38 5.690 12.354 -4.589 291 H ILE 39 H ILE 39 7.787 10.319 -3.071 292 HA ILE 39 HA ILE 39 5.515 10.542 -1.369 293 HB ILE 39 HB ILE 39 7.048 8.081 -2.227 294 HG12 ILE 39 HG13 ILE 39 4.467 9.212 -3.276 295 HG13 ILE 39 HG12 ILE 39 6.030 9.455 -4.078 296 HG21 ILE 39 HG21 ILE 39 5.631 6.882 -1.041 297 HG22 ILE 39 HG22 ILE 39 4.246 7.803 -1.677 298 HG23 ILE 39 HG23 ILE 39 5.132 8.374 -0.252 299 HD11 ILE 39 HD11 ILE 39 4.202 7.516 -4.503 300 HD12 ILE 39 HD12 ILE 39 5.391 6.705 -3.467 301 HD13 ILE 39 HD13 ILE 39 5.904 7.485 -4.983 302 H THR 40 H THR 40 7.056 11.746 0.200 303 HA THR 40 HA THR 40 8.515 10.015 2.006 304 HB THR 40 HB THR 40 9.512 12.069 1.506 305 HG1 THR 40 HG1 THR 40 8.634 11.772 4.092 306 HG21 THR 40 HG21 THR 40 6.856 13.014 1.545 307 HG22 THR 40 HG22 THR 40 8.280 13.748 0.848 308 HG23 THR 40 HG23 THR 40 7.858 14.102 2.539 309 H THR 41 H THR 41 5.601 9.618 1.877 310 HA THR 41 HA THR 41 5.256 9.080 4.531 311 HB THR 41 HB THR 41 4.513 11.219 4.908 312 HG1 THR 41 HG1 THR 41 3.002 10.526 6.147 313 HG21 THR 41 HG21 THR 41 3.439 12.544 3.467 314 HG22 THR 41 HG22 THR 41 2.036 11.473 3.510 315 HG23 THR 41 HG23 THR 41 3.334 11.175 2.363 316 H GLY 42 H GLY 42 3.516 7.704 5.028 317 HA2 GLY 42 HA3 GLY 42 3.284 5.785 2.937 318 HA3 GLY 42 HA2 GLY 42 2.361 5.725 4.455 319 H SER 43 H SER 43 0.626 7.919 4.375 320 HA SER 43 HA SER 43 -1.295 7.340 2.748 321 HB2 SER 43 HB3 SER 43 -0.387 9.983 3.869 322 HB3 SER 43 HB2 SER 43 -2.053 9.572 3.399 323 HG SER 43 HG SER 43 -2.119 8.094 5.023 324 H ALA 44 H ALA 44 1.285 9.449 2.262 325 HA ALA 44 HA ALA 44 0.603 10.899 -0.106 326 HB1 ALA 44 HB1 ALA 44 2.893 11.381 -0.603 327 HB2 ALA 44 HB2 ALA 44 3.434 9.910 0.230 328 HB3 ALA 44 HB3 ALA 44 2.794 11.258 1.157 329 H TRP 45 H TRP 45 2.293 7.825 0.115 330 HA TRP 45 HA TRP 45 2.384 7.312 -2.638 331 HB2 TRP 45 HB3 TRP 45 3.736 6.125 -0.830 332 HB3 TRP 45 HB2 TRP 45 2.257 5.327 -0.390 333 HD1 TRP 45 HD1 TRP 45 3.785 5.786 -3.966 334 HE1 TRP 45 HE1 TRP 45 3.777 3.438 -5.011 335 HE3 TRP 45 HE3 TRP 45 2.083 3.079 -0.005 336 HZ2 TRP 45 HZ2 TRP 45 3.250 0.885 -4.296 337 HZ3 TRP 45 HZ3 TRP 45 1.873 0.690 -0.268 338 HH2 TRP 45 HH2 TRP 45 2.487 -0.373 -2.452 339 H PHE 46 H PHE 46 -0.101 6.392 -0.209 340 HA PHE 46 HA PHE 46 -1.433 4.849 -2.083 341 HB2 PHE 46 HB3 PHE 46 -2.393 6.313 0.357 342 HB3 PHE 46 HB2 PHE 46 -3.405 5.225 -0.587 343 HD1 PHE 46 HD1 PHE 46 -2.184 2.973 -1.099 344 HD2 PHE 46 HD2 PHE 46 -1.483 5.419 2.346 345 HE1 PHE 46 HE1 PHE 46 -1.535 1.002 0.150 346 HE2 PHE 46 HE2 PHE 46 -0.859 3.407 3.617 347 HZ PHE 46 HZ PHE 46 -0.872 1.172 2.430 348 H SER 47 H SER 47 -1.845 7.908 -0.972 349 HA SER 47 HA SER 47 -3.907 8.834 -2.709 350 HB2 SER 47 HB3 SER 47 -1.906 10.597 -1.329 351 HB3 SER 47 HB2 SER 47 -3.373 11.171 -2.126 352 HG SER 47 HG SER 47 -4.388 9.427 -0.673 353 H PHE 48 H PHE 48 -0.526 8.784 -3.394 354 HA PHE 48 HA PHE 48 -0.733 10.245 -5.843 355 HB2 PHE 48 HB3 PHE 48 1.453 9.949 -4.842 356 HB3 PHE 48 HB2 PHE 48 1.250 8.195 -4.830 357 HD1 PHE 48 HD1 PHE 48 1.263 11.057 -7.262 358 HD2 PHE 48 HD2 PHE 48 2.047 6.994 -6.428 359 HE1 PHE 48 HE1 PHE 48 2.110 10.787 -9.518 360 HE2 PHE 48 HE2 PHE 48 2.941 6.697 -8.697 361 HZ PHE 48 HZ PHE 48 2.982 8.599 -10.257 362 H LEU 49 H LEU 49 -0.452 6.755 -4.870 363 HA LEU 49 HA LEU 49 -0.717 5.528 -7.207 364 HB2 LEU 49 HB3 LEU 49 -0.158 4.966 -4.824 365 HB3 LEU 49 HB2 LEU 49 -1.891 4.661 -4.607 366 HG LEU 49 HG LEU 49 -1.595 2.622 -6.209 367 HD11 LEU 49 HD11 LEU 49 0.732 2.164 -6.823 368 HD12 LEU 49 HD12 LEU 49 1.168 3.765 -6.235 369 HD13 LEU 49 HD13 LEU 49 0.079 3.606 -7.606 370 HD21 LEU 49 HD21 LEU 49 0.451 1.764 -4.703 371 HD22 LEU 49 HD22 LEU 49 -1.225 1.750 -4.178 372 HD23 LEU 49 HD23 LEU 49 -0.154 3.061 -3.682 373 H GLU 50 H GLU 50 -3.175 6.097 -4.901 374 HA GLU 50 HA GLU 50 -5.702 5.523 -5.979 375 HB2 GLU 50 HB3 GLU 50 -5.252 8.239 -4.718 376 HB3 GLU 50 HB2 GLU 50 -6.831 7.545 -5.023 377 HG2 GLU 50 HG3 GLU 50 -6.395 5.902 -3.284 378 HG3 GLU 50 HG2 GLU 50 -4.791 6.606 -3.022 379 H SER 51 H SER 51 -4.136 8.179 -6.293 380 HA SER 51 HA SER 51 -5.686 9.772 -8.157 381 HB2 SER 51 HB3 SER 51 -2.702 10.197 -7.785 382 HB3 SER 51 HB2 SER 51 -3.762 11.292 -8.693 383 HG SER 51 HG SER 51 -3.796 10.642 -5.939 384 H HIS 52 H HIS 52 -3.217 7.426 -8.716 385 HA HIS 52 HA HIS 52 -3.809 7.590 -11.575 386 HB2 HIS 52 HB3 HIS 52 -1.403 6.369 -10.237 387 HB3 HIS 52 HB2 HIS 52 -1.691 6.162 -11.992 388 HD1 HIS 52 HD1 HIS 52 0.542 7.490 -12.610 389 HD2 HIS 52 HD2 HIS 52 -1.952 9.278 -9.891 390 HE1 HIS 52 HE1 HIS 52 1.501 9.770 -12.333 391 H ASN 53 H ASN 53 -3.624 5.261 -12.580 392 HA ASN 53 HA ASN 53 -5.679 3.910 -11.104 393 HB2 ASN 53 HB3 ASN 53 -4.670 3.436 -13.898 394 HB3 ASN 53 HB2 ASN 53 -6.004 2.548 -13.168 395 HD21 ASN 53 HD22 ASN 53 -5.422 4.910 -15.294 396 HD22 ASN 53 HD21 ASN 53 -6.799 5.910 -15.031 397 H LYS 54 H LYS 54 -3.269 3.592 -9.768 398 HA LYS 54 HA LYS 54 -2.864 0.758 -10.235 399 HB2 LYS 54 HB3 LYS 54 -0.894 2.595 -8.843 400 HB3 LYS 54 HB2 LYS 54 -0.685 0.858 -8.954 401 HG2 LYS 54 HG3 LYS 54 -0.613 2.851 -11.219 402 HG3 LYS 54 HG2 LYS 54 0.667 1.807 -10.554 403 HD2 LYS 54 HD3 LYS 54 -1.824 0.815 -11.802 404 HD3 LYS 54 HD2 LYS 54 -0.313 0.972 -12.721 405 HE2 LYS 54 HE3 LYS 54 0.747 -0.588 -11.062 406 HE3 LYS 54 HE2 LYS 54 -0.819 -0.797 -10.304 407 HZ1 LYS 54 HZ1 LYS 54 -1.625 -1.783 -12.445 408 HZ2 LYS 54 HZ2 LYS 54 -0.306 -2.611 -11.764 409 HZ3 LYS 54 HZ3 LYS 54 -0.047 -1.586 -13.052 410 H LEU 55 H LEU 55 -4.724 2.623 -8.402 411 HA LEU 55 HA LEU 55 -5.252 0.489 -6.674 412 HB2 LEU 55 HB3 LEU 55 -3.257 1.208 -5.469 413 HB3 LEU 55 HB2 LEU 55 -3.856 2.852 -5.403 414 HG LEU 55 HG LEU 55 -5.260 0.601 -3.925 415 HD11 LEU 55 HD11 LEU 55 -2.768 2.079 -3.230 416 HD12 LEU 55 HD12 LEU 55 -3.313 0.458 -2.754 417 HD13 LEU 55 HD13 LEU 55 -3.954 1.866 -1.932 418 HD21 LEU 55 HD21 LEU 55 -6.622 2.206 -3.219 419 HD22 LEU 55 HD22 LEU 55 -5.766 3.346 -4.248 420 HD23 LEU 55 HD23 LEU 55 -5.248 3.120 -2.572 421 H ASP 56 H ASP 56 -7.215 0.531 -7.037 422 HA ASP 56 HA ASP 56 -8.954 2.851 -6.675 423 HB2 ASP 56 HB3 ASP 56 -9.759 -0.067 -6.941 424 HB3 ASP 56 HB2 ASP 56 -10.865 1.269 -6.776 425 H LYS 57 H LYS 57 -10.812 2.421 -5.397 426 HA LYS 57 HA LYS 57 -10.183 2.270 -2.647 427 HB2 LYS 57 HB3 LYS 57 -12.674 2.280 -2.359 428 HB3 LYS 57 HB2 LYS 57 -12.004 3.667 -3.198 429 HG2 LYS 57 HG3 LYS 57 -14.037 2.989 -4.352 430 HG3 LYS 57 HG2 LYS 57 -12.605 2.639 -5.331 431 HD2 LYS 57 HD3 LYS 57 -12.630 0.376 -4.614 432 HD3 LYS 57 HD2 LYS 57 -14.089 0.633 -3.648 433 HE2 LYS 57 HE3 LYS 57 -13.897 0.837 -6.698 434 HE3 LYS 57 HE2 LYS 57 -14.606 -0.516 -5.823 435 HZ1 LYS 57 HZ1 LYS 57 -16.003 1.409 -6.887 436 HZ2 LYS 57 HZ2 LYS 57 -15.812 2.145 -5.376 437 HZ3 LYS 57 HZ3 LYS 57 -16.515 0.594 -5.567 438 H ASP 58 H ASP 58 -10.805 -0.032 -5.028 439 HA ASP 58 HA ASP 58 -11.822 -2.211 -3.356 440 HB2 ASP 58 HB3 ASP 58 -12.916 -1.466 -5.411 441 HB3 ASP 58 HB2 ASP 58 -11.436 -1.707 -6.298 442 H ASN 59 H ASN 59 -9.497 -1.326 -5.623 443 HA ASN 59 HA ASN 59 -8.112 -3.845 -5.534 444 HB2 ASN 59 HB3 ASN 59 -7.641 -1.374 -7.146 445 HB3 ASN 59 HB2 ASN 59 -6.689 -2.845 -7.329 446 HD21 ASN 59 HD22 ASN 59 -9.427 -1.214 -8.276 447 HD22 ASN 59 HD21 ASN 59 -10.221 -2.522 -9.065 448 H LEU 60 H LEU 60 -6.622 -4.408 -4.655 449 HA LEU 60 HA LEU 60 -4.719 -2.645 -3.307 450 HB2 LEU 60 HB3 LEU 60 -4.730 -4.209 -1.348 451 HB3 LEU 60 HB2 LEU 60 -6.171 -3.266 -1.582 452 HG LEU 60 HG LEU 60 -7.282 -5.313 -2.545 453 HD11 LEU 60 HD11 LEU 60 -5.320 -6.432 -3.279 454 HD12 LEU 60 HD12 LEU 60 -6.284 -7.479 -2.223 455 HD13 LEU 60 HD13 LEU 60 -4.797 -6.715 -1.626 456 HD21 LEU 60 HD21 LEU 60 -6.598 -4.706 0.127 457 HD22 LEU 60 HD22 LEU 60 -6.667 -6.460 -0.057 458 HD23 LEU 60 HD23 LEU 60 -8.064 -5.468 -0.505 459 H SER 61 H SER 61 -5.128 -5.389 -5.063 460 HA SER 61 HA SER 61 -3.059 -7.069 -4.635 461 HB2 SER 61 HB3 SER 61 -3.928 -6.273 -7.416 462 HB3 SER 61 HB2 SER 61 -3.154 -7.805 -6.969 463 HG SER 61 HG SER 61 -5.016 -8.519 -6.337 464 H TYR 62 H TYR 62 -2.798 -4.165 -6.290 465 HA TYR 62 HA TYR 62 -0.117 -4.208 -7.238 466 HB2 TYR 62 HB3 TYR 62 -1.618 -2.342 -7.811 467 HB3 TYR 62 HB2 TYR 62 -1.657 -1.828 -6.130 468 HD1 TYR 62 HD1 TYR 62 0.560 -2.170 -9.082 469 HD2 TYR 62 HD2 TYR 62 0.076 -0.389 -5.257 470 HE1 TYR 62 HE1 TYR 62 2.593 -0.869 -9.373 471 HE2 TYR 62 HE2 TYR 62 2.151 0.749 -5.498 472 HH TYR 62 HH TYR 62 4.311 0.179 -7.985 473 H ILE 63 H ILE 63 -1.501 -3.037 -4.218 474 HA ILE 63 HA ILE 63 1.022 -2.388 -3.025 475 HB ILE 63 HB ILE 63 -0.125 -1.388 -1.275 476 HG12 ILE 63 HG13 ILE 63 -2.681 -2.773 -2.085 477 HG13 ILE 63 HG12 ILE 63 -1.671 -3.342 -0.760 478 HG21 ILE 63 HG21 ILE 63 -2.111 -1.105 -3.365 479 HG22 ILE 63 HG22 ILE 63 -0.425 -0.662 -3.643 480 HG23 ILE 63 HG23 ILE 63 -1.326 0.136 -2.353 481 HD11 ILE 63 HD11 ILE 63 -3.564 -1.170 -0.802 482 HD12 ILE 63 HD12 ILE 63 -1.917 -0.691 -0.324 483 HD13 ILE 63 HD13 ILE 63 -2.734 -1.989 0.564 484 H GLU 64 H GLU 64 -1.053 -4.991 -3.033 485 HA GLU 64 HA GLU 64 -0.351 -6.201 -0.499 486 HB2 GLU 64 HB3 GLU 64 -2.462 -6.831 -1.635 487 HB3 GLU 64 HB2 GLU 64 -1.566 -7.466 -2.985 488 HG2 GLU 64 HG3 GLU 64 -1.362 -8.642 -0.215 489 HG3 GLU 64 HG2 GLU 64 -2.602 -9.122 -1.364 490 H HIS 65 H HIS 65 0.666 -6.883 -3.824 491 HA HIS 65 HA HIS 65 2.923 -8.459 -3.312 492 HB2 HIS 65 HB3 HIS 65 1.868 -7.881 -5.486 493 HB3 HIS 65 HB2 HIS 65 2.389 -6.225 -5.258 494 HD1 HIS 65 HD1 HIS 65 4.060 -9.669 -5.504 495 HD2 HIS 65 HD2 HIS 65 4.582 -5.666 -6.453 496 HE1 HIS 65 HE1 HIS 65 6.160 -9.624 -6.862 497 H ILE 66 H ILE 66 2.921 -5.036 -3.693 498 HA ILE 66 HA ILE 66 5.410 -4.544 -3.140 499 HB ILE 66 HB ILE 66 3.202 -2.963 -1.913 500 HG12 ILE 66 HG13 ILE 66 3.004 -3.409 -4.142 501 HG13 ILE 66 HG12 ILE 66 3.181 -1.627 -4.043 502 HG21 ILE 66 HG21 ILE 66 5.190 -2.161 -0.831 503 HG22 ILE 66 HG22 ILE 66 4.877 -0.972 -2.071 504 HG23 ILE 66 HG23 ILE 66 6.113 -2.191 -2.325 505 HD11 ILE 66 HD11 ILE 66 5.654 -3.078 -4.513 506 HD12 ILE 66 HD12 ILE 66 4.848 -1.810 -5.482 507 HD13 ILE 66 HD13 ILE 66 4.382 -3.512 -5.669 508 H PHE 67 H PHE 67 2.928 -4.927 -0.455 509 HA PHE 67 HA PHE 67 4.839 -4.657 1.409 510 HB2 PHE 67 HB3 PHE 67 2.105 -5.912 1.597 511 HB3 PHE 67 HB2 PHE 67 3.120 -5.488 2.974 512 HD1 PHE 67 HD2 PHE 67 4.031 -3.033 2.882 513 HD2 PHE 67 HD1 PHE 67 0.575 -4.464 0.977 514 HE1 PHE 67 HE2 PHE 67 3.220 -0.710 2.679 515 HE2 PHE 67 HE1 PHE 67 -0.276 -2.157 0.742 516 HZ PHE 67 HZ PHE 67 1.059 -0.277 1.605 517 H GLU 68 H GLU 68 3.989 -7.511 -0.579 518 HA GLU 68 HA GLU 68 4.947 -9.435 1.304 519 HB2 GLU 68 HB3 GLU 68 3.460 -9.980 -0.599 520 HB3 GLU 68 HB2 GLU 68 4.723 -9.482 -1.719 521 HG2 GLU 68 HG3 GLU 68 6.194 -11.239 -0.710 522 HG3 GLU 68 HG2 GLU 68 4.802 -11.805 0.187 523 H ILE 69 H ILE 69 6.134 -7.979 -1.673 524 HA ILE 69 HA ILE 69 8.568 -9.114 -1.592 525 HB ILE 69 HB ILE 69 9.314 -7.573 -3.285 526 HG12 ILE 69 HG13 ILE 69 6.606 -6.290 -2.897 527 HG13 ILE 69 HG12 ILE 69 8.167 -5.516 -2.619 528 HG21 ILE 69 HG21 ILE 69 7.099 -9.379 -3.281 529 HG22 ILE 69 HG22 ILE 69 8.346 -9.131 -4.510 530 HG23 ILE 69 HG23 ILE 69 6.888 -8.125 -4.517 531 HD11 ILE 69 HD11 ILE 69 8.262 -4.917 -4.712 532 HD12 ILE 69 HD12 ILE 69 6.657 -5.682 -4.950 533 HD13 ILE 69 HD13 ILE 69 8.132 -6.649 -5.143 534 H SER 70 H SER 70 7.674 -6.123 -0.216 535 HA SER 70 HA SER 70 10.367 -5.427 0.525 536 HB2 SER 70 HB3 SER 70 7.747 -4.270 1.431 537 HB3 SER 70 HB2 SER 70 9.353 -3.544 1.583 538 HG SER 70 HG SER 70 7.846 -4.014 -0.712 539 H ARG 71 H ARG 71 11.086 -5.474 2.702 540 HA ARG 71 HA ARG 71 9.989 -7.615 4.151 541 HB2 ARG 71 HB3 ARG 71 12.471 -5.980 4.706 542 HB3 ARG 71 HB2 ARG 71 11.903 -7.289 5.748 543 HG2 ARG 71 HG3 ARG 71 12.490 -7.583 2.832 544 HG3 ARG 71 HG2 ARG 71 13.620 -8.049 4.137 545 HD2 ARG 71 HD3 ARG 71 10.831 -9.132 3.689 546 HD3 ARG 71 HD2 ARG 71 12.307 -9.981 3.264 547 HE ARG 71 HE ARG 71 11.095 -9.754 5.848 548 HH11 ARG 71 HH11 ARG 71 14.073 -10.695 4.196 549 HH12 ARG 71 HH12 ARG 71 14.957 -10.924 5.657 550 HH21 ARG 71 HH22 ARG 71 12.317 -10.104 7.825 551 HH22 ARG 71 HH21 ARG 71 13.957 -10.621 7.721 552 H ARG 72 H ARG 72 8.062 -6.381 4.235 553 HA ARG 72 HA ARG 72 7.584 -5.558 6.916 554 HB2 ARG 72 HB3 ARG 72 7.242 -3.633 4.690 555 HB3 ARG 72 HB2 ARG 72 5.927 -3.693 5.842 556 HG2 ARG 72 HG3 ARG 72 8.829 -3.179 6.482 557 HG3 ARG 72 HG2 ARG 72 7.489 -1.992 6.512 558 HD2 ARG 72 HD3 ARG 72 6.289 -3.511 8.083 559 HD3 ARG 72 HD2 ARG 72 7.756 -4.474 8.176 560 HE ARG 72 HE ARG 72 8.159 -1.760 8.881 561 HH11 ARG 72 HH11 ARG 72 7.139 -4.930 9.998 562 HH12 ARG 72 HH12 ARG 72 6.871 -4.528 11.604 563 HH21 ARG 72 HH22 ARG 72 7.915 -1.134 11.134 564 HH22 ARG 72 HH21 ARG 72 7.383 -2.264 12.297 565 HA PRO 73 HA PRO 73 4.586 -8.647 5.308 566 HB2 PRO 73 HB2 PRO 73 5.371 -9.934 7.854 567 HB3 PRO 73 HB3 PRO 73 5.211 -10.633 6.235 568 HG2 PRO 73 HG3 PRO 73 7.595 -10.191 7.290 569 HG3 PRO 73 HG2 PRO 73 7.307 -9.908 5.561 570 HD2 PRO 73 HD3 PRO 73 7.419 -7.943 7.822 571 HD3 PRO 73 HD2 PRO 73 8.143 -7.857 6.212 572 H ASP 74 H ASP 74 4.996 -6.823 8.150 573 HA ASP 74 HA ASP 74 2.632 -7.640 9.643 574 HB2 ASP 74 HB3 ASP 74 3.962 -4.898 9.792 575 HB3 ASP 74 HB2 ASP 74 2.844 -5.572 10.964 576 H LEU 75 H LEU 75 3.456 -5.195 7.595 577 HA LEU 75 HA LEU 75 0.937 -3.858 7.355 578 HB2 LEU 75 HB3 LEU 75 3.270 -3.849 5.439 579 HB3 LEU 75 HB2 LEU 75 1.847 -2.882 5.222 580 HG LEU 75 HG LEU 75 2.362 -1.554 7.210 581 HD11 LEU 75 HD11 LEU 75 4.855 -1.974 8.038 582 HD12 LEU 75 HD12 LEU 75 4.398 -3.645 7.674 583 HD13 LEU 75 HD13 LEU 75 3.451 -2.696 8.827 584 HD21 LEU 75 HD21 LEU 75 4.609 -1.976 5.317 585 HD22 LEU 75 HD22 LEU 75 4.472 -0.597 6.404 586 HD23 LEU 75 HD23 LEU 75 3.254 -0.863 5.154 587 H LEU 76 H LEU 76 2.539 -6.023 5.348 588 HA LEU 76 HA LEU 76 0.611 -6.642 3.326 589 HB2 LEU 76 HB3 LEU 76 2.820 -7.917 3.466 590 HB3 LEU 76 HB2 LEU 76 2.019 -8.889 4.715 591 HG LEU 76 HG LEU 76 0.207 -9.221 3.037 592 HD11 LEU 76 HD11 LEU 76 1.272 -7.562 1.503 593 HD12 LEU 76 HD12 LEU 76 0.182 -8.860 1.042 594 HD13 LEU 76 HD13 LEU 76 1.920 -9.042 0.793 595 HD21 LEU 76 HD21 LEU 76 2.626 -10.698 3.490 596 HD22 LEU 76 HD22 LEU 76 1.986 -10.991 1.858 597 HD23 LEU 76 HD23 LEU 76 0.966 -11.246 3.282 598 H THR 77 H THR 77 1.044 -8.281 6.275 599 HA THR 77 HA THR 77 -1.138 -9.901 6.561 600 HB THR 77 HB THR 77 0.263 -8.289 8.608 601 HG1 THR 77 HG1 THR 77 1.353 -10.259 8.972 602 HG21 THR 77 HG21 THR 77 -0.685 -10.284 10.062 603 HG22 THR 77 HG22 THR 77 -1.922 -10.183 8.778 604 HG23 THR 77 HG23 THR 77 -1.512 -8.725 9.728 605 H MET 78 H MET 78 -0.936 -6.549 7.442 606 HA MET 78 HA MET 78 -3.536 -6.219 8.407 607 HB2 MET 78 HB3 MET 78 -1.743 -4.173 7.101 608 HB3 MET 78 HB2 MET 78 -3.238 -3.787 7.941 609 HG2 MET 78 HG3 MET 78 -0.997 -5.292 9.175 610 HG3 MET 78 HG2 MET 78 -1.139 -3.514 9.330 611 HE1 MET 78 HE1 MET 78 -1.435 -3.586 12.273 612 HE2 MET 78 HE2 MET 78 -0.537 -4.929 11.575 613 HE3 MET 78 HE3 MET 78 -1.788 -5.234 12.781 614 H VAL 79 H VAL 79 -2.233 -6.045 5.142 615 HA VAL 79 HA VAL 79 -4.653 -5.166 3.856 616 HB VAL 79 HB VAL 79 -2.270 -6.638 2.698 617 HG11 VAL 79 HG11 VAL 79 -3.023 -5.127 0.674 618 HG12 VAL 79 HG12 VAL 79 -4.587 -5.266 1.463 619 HG13 VAL 79 HG13 VAL 79 -3.732 -6.724 0.970 620 HG21 VAL 79 HG21 VAL 79 -1.697 -4.595 3.949 621 HG22 VAL 79 HG22 VAL 79 -2.641 -3.657 2.793 622 HG23 VAL 79 HG23 VAL 79 -1.219 -4.566 2.251 623 H VAL 80 H VAL 80 -2.955 -8.260 4.102 624 HA VAL 80 HA VAL 80 -4.819 -9.986 2.826 625 HB VAL 80 HB VAL 80 -2.915 -10.545 5.164 626 HG11 VAL 80 HG11 VAL 80 -3.180 -12.768 4.903 627 HG12 VAL 80 HG12 VAL 80 -3.732 -12.649 3.215 628 HG13 VAL 80 HG13 VAL 80 -4.811 -12.193 4.546 629 HG21 VAL 80 HG21 VAL 80 -1.287 -10.161 3.717 630 HG22 VAL 80 HG22 VAL 80 -2.409 -10.006 2.371 631 HG23 VAL 80 HG23 VAL 80 -1.785 -11.587 2.835 632 H ASP 81 H ASP 81 -4.444 -9.427 6.064 633 HA ASP 81 HA ASP 81 -6.755 -10.707 6.965 634 HB2 ASP 81 HB3 ASP 81 -5.176 -10.210 8.731 635 HB3 ASP 81 HB2 ASP 81 -5.456 -8.482 8.572 636 H TYR 82 H TYR 82 -6.371 -7.448 6.114 637 HA TYR 82 HA TYR 82 -8.921 -6.284 6.552 638 HB2 TYR 82 HB3 TYR 82 -7.236 -4.881 5.855 639 HB3 TYR 82 HB2 TYR 82 -6.884 -5.847 4.397 640 HD1 TYR 82 HD2 TYR 82 -9.606 -4.017 6.035 641 HD2 TYR 82 HD1 TYR 82 -7.694 -5.163 2.487 642 HE1 TYR 82 HE2 TYR 82 -11.178 -2.598 4.719 643 HE2 TYR 82 HE1 TYR 82 -9.234 -3.833 1.154 644 HH TYR 82 HH TYR 82 -11.152 -2.747 1.217 645 H ARG 83 H ARG 83 -7.615 -7.885 3.686 646 HA ARG 83 HA ARG 83 -9.771 -7.716 2.034 647 HB2 ARG 83 HB3 ARG 83 -7.656 -8.216 1.168 648 HB3 ARG 83 HB2 ARG 83 -7.340 -9.442 2.353 649 HG2 ARG 83 HG3 ARG 83 -9.309 -9.788 0.157 650 HG3 ARG 83 HG2 ARG 83 -7.572 -10.141 -0.073 651 HD2 ARG 83 HD3 ARG 83 -7.725 -11.649 1.826 652 HD3 ARG 83 HD2 ARG 83 -9.459 -11.371 1.934 653 HE ARG 83 HE ARG 83 -8.679 -12.291 -0.661 654 HH11 ARG 83 HH11 ARG 83 -9.312 -13.417 2.635 655 HH12 ARG 83 HH12 ARG 83 -9.747 -14.978 2.181 656 HH21 ARG 83 HH22 ARG 83 -9.115 -14.437 -1.301 657 HH22 ARG 83 HH21 ARG 83 -9.530 -15.617 -0.148 658 H THR 84 H THR 84 -8.903 -10.073 4.039 659 HA THR 84 HA THR 84 -11.093 -11.909 3.805 660 HB THR 84 HB THR 84 -9.293 -11.441 6.114 661 HG1 THR 84 HG1 THR 84 -7.912 -12.101 4.650 662 HG21 THR 84 HG21 THR 84 -9.723 -13.859 6.509 663 HG22 THR 84 HG22 THR 84 -11.067 -13.657 5.343 664 HG23 THR 84 HG23 THR 84 -11.024 -12.664 6.827 665 H ARG 85 H ARG 85 -10.393 -10.054 6.362 666 HA ARG 85 HA ARG 85 -12.641 -10.191 7.809 667 HB2 ARG 85 HB3 ARG 85 -12.074 -8.306 9.328 668 HB3 ARG 85 HB2 ARG 85 -10.738 -9.391 9.008 669 HG2 ARG 85 HG3 ARG 85 -9.656 -7.343 8.975 670 HG3 ARG 85 HG2 ARG 85 -10.050 -7.472 7.292 671 HD2 ARG 85 HD3 ARG 85 -11.924 -6.127 7.566 672 HD3 ARG 85 HD2 ARG 85 -11.606 -5.965 9.306 673 HE ARG 85 HE ARG 85 -10.574 -4.276 7.420 674 HH11 ARG 85 HH11 ARG 85 -8.638 -6.574 9.505 675 HH12 ARG 85 HH12 ARG 85 -7.457 -5.425 9.866 676 HH21 ARG 85 HH22 ARG 85 -8.783 -2.692 8.009 677 HH22 ARG 85 HH21 ARG 85 -7.531 -3.151 8.984 678 H VAL 86 H VAL 86 -12.092 -7.704 5.829 679 HA VAL 86 HA VAL 86 -14.676 -6.558 5.949 680 HB VAL 86 HB VAL 86 -12.661 -6.329 3.740 681 HG11 VAL 86 HG11 VAL 86 -15.356 -5.728 3.410 682 HG12 VAL 86 HG12 VAL 86 -14.054 -4.895 2.552 683 HG13 VAL 86 HG13 VAL 86 -14.716 -4.207 4.032 684 HG21 VAL 86 HG21 VAL 86 -13.130 -5.169 6.314 685 HG22 VAL 86 HG22 VAL 86 -13.039 -3.931 5.065 686 HG23 VAL 86 HG23 VAL 86 -11.709 -5.070 5.267 687 H LEU 87 H LEU 87 -13.520 -9.150 4.027 688 HA LEU 87 HA LEU 87 -15.858 -9.593 2.415 689 HB2 LEU 87 HB3 LEU 87 -13.810 -11.531 3.456 690 HB3 LEU 87 HB2 LEU 87 -15.126 -12.046 2.409 691 HG LEU 87 HG LEU 87 -12.872 -10.153 1.749 692 HD11 LEU 87 HD11 LEU 87 -12.170 -11.945 0.218 693 HD12 LEU 87 HD12 LEU 87 -13.481 -12.959 0.830 694 HD13 LEU 87 HD13 LEU 87 -12.176 -12.466 1.907 695 HD21 LEU 87 HD21 LEU 87 -15.053 -11.189 -0.068 696 HD22 LEU 87 HD22 LEU 87 -13.730 -10.112 -0.518 697 HD23 LEU 87 HD23 LEU 87 -14.980 -9.555 0.586 698 H LYS 88 H LYS 88 -14.864 -10.805 5.492 699 HA LYS 88 HA LYS 88 -17.130 -12.357 6.060 700 HB2 LYS 88 HB3 LYS 88 -15.252 -11.106 7.987 701 HB3 LYS 88 HB2 LYS 88 -16.445 -12.352 8.378 702 HG2 LYS 88 HG3 LYS 88 -15.363 -13.721 6.562 703 HG3 LYS 88 HG2 LYS 88 -14.043 -12.533 6.622 704 HD2 LYS 88 HD3 LYS 88 -15.251 -13.832 8.826 705 HD3 LYS 88 HD2 LYS 88 -13.790 -14.578 8.081 706 HE2 LYS 88 HE3 LYS 88 -12.612 -12.380 8.741 707 HE3 LYS 88 HE2 LYS 88 -14.079 -11.960 9.642 708 HZ1 LYS 88 HZ1 LYS 88 -11.943 -13.790 10.368 709 HZ2 LYS 88 HZ2 LYS 88 -13.471 -14.433 10.562 710 HZ3 LYS 88 HZ3 LYS 88 -13.060 -13.044 11.379 711 H ILE 89 H ILE 89 -16.516 -8.985 6.642 712 HA ILE 89 HA ILE 89 -18.776 -8.514 8.267 713 HB ILE 89 HB ILE 89 -16.886 -6.863 6.650 714 HG12 ILE 89 HG13 ILE 89 -17.183 -7.176 9.639 715 HG13 ILE 89 HG12 ILE 89 -15.905 -7.815 8.603 716 HG21 ILE 89 HG21 ILE 89 -17.809 -4.834 7.700 717 HG22 ILE 89 HG22 ILE 89 -19.216 -5.839 8.176 718 HG23 ILE 89 HG23 ILE 89 -18.749 -5.685 6.461 719 HD11 ILE 89 HD11 ILE 89 -14.738 -5.936 8.793 720 HD12 ILE 89 HD12 ILE 89 -15.898 -5.431 10.025 721 HD13 ILE 89 HD13 ILE 89 -16.116 -4.953 8.347 722 H SER 90 H SER 90 -17.970 -8.044 4.868 723 HA SER 90 HA SER 90 -20.628 -7.112 4.208 724 HB2 SER 90 HB3 SER 90 -18.261 -7.769 2.491 725 HB3 SER 90 HB2 SER 90 -19.718 -6.917 1.952 726 HG SER 90 HG SER 90 -17.624 -6.085 3.587 Start of MODEL 16 1 H1 MET 1 H MET 1 -16.056 1.752 1.558 2 H2 MET 1 H2 MET 1 -15.218 0.822 0.352 3 H3 MET 1 H3 MET 1 -14.852 0.620 1.971 4 HA MET 1 HA MET 1 -13.288 1.885 0.612 5 HB2 MET 1 HB3 MET 1 -15.348 4.073 1.030 6 HB3 MET 1 HB2 MET 1 -13.705 4.322 0.470 7 HG2 MET 1 HG3 MET 1 -14.276 2.889 -1.510 8 HG3 MET 1 HG2 MET 1 -15.937 2.868 -0.928 9 HE1 MET 1 HE1 MET 1 -17.541 5.316 -0.962 10 HE2 MET 1 HE2 MET 1 -16.647 6.830 -1.009 11 HE3 MET 1 HE3 MET 1 -16.329 5.658 0.278 12 H ALA 2 H ALA 2 -15.281 2.817 3.273 13 HA ALA 2 HA ALA 2 -13.208 4.174 4.669 14 HB1 ALA 2 HB1 ALA 2 -15.386 4.622 5.577 15 HB2 ALA 2 HB2 ALA 2 -14.525 3.742 6.846 16 HB3 ALA 2 HB3 ALA 2 -15.679 2.891 5.820 17 H GLU 3 H GLU 3 -14.223 0.985 5.516 18 HA GLU 3 HA GLU 3 -12.138 0.286 7.051 19 HB2 GLU 3 HB3 GLU 3 -13.465 -1.474 5.006 20 HB3 GLU 3 HB2 GLU 3 -12.203 -2.070 6.061 21 HG2 GLU 3 HG3 GLU 3 -14.721 -0.774 6.999 22 HG3 GLU 3 HG2 GLU 3 -14.449 -2.530 6.920 23 H TYR 4 H TYR 4 -12.138 0.276 3.849 24 HA TYR 4 HA TYR 4 -9.467 -0.563 3.296 25 HB2 TYR 4 HB3 TYR 4 -10.998 -0.331 1.371 26 HB3 TYR 4 HB2 TYR 4 -10.783 1.450 1.402 27 HD1 TYR 4 HD1 TYR 4 -8.546 -1.473 1.668 28 HD2 TYR 4 HD2 TYR 4 -9.525 2.026 -0.584 29 HE1 TYR 4 HE1 TYR 4 -6.672 -1.902 0.199 30 HE2 TYR 4 HE2 TYR 4 -7.647 1.581 -2.056 31 HH TYR 4 HH TYR 4 -6.299 -0.589 -2.734 32 H GLY 5 H GLY 5 -10.842 2.504 3.651 33 HA2 GLY 5 HA3 GLY 5 -8.646 4.314 3.546 34 HA3 GLY 5 HA2 GLY 5 -10.064 4.659 4.546 35 H THR 6 H THR 6 -9.896 2.692 6.547 36 HA THR 6 HA THR 6 -7.814 3.599 8.175 37 HB THR 6 HB THR 6 -9.428 1.092 8.326 38 HG1 THR 6 HG1 THR 6 -11.058 2.349 9.214 39 HG21 THR 6 HG21 THR 6 -9.164 1.342 10.711 40 HG22 THR 6 HG22 THR 6 -8.296 2.862 10.454 41 HG23 THR 6 HG23 THR 6 -7.605 1.343 9.869 42 H LEU 7 H LEU 7 -8.392 0.745 6.403 43 HA LEU 7 HA LEU 7 -6.185 -0.893 6.850 44 HB2 LEU 7 HB3 LEU 7 -7.891 -1.608 5.467 45 HB3 LEU 7 HB2 LEU 7 -7.577 -0.380 4.278 46 HG LEU 7 HG LEU 7 -7.076 -2.733 3.877 47 HD11 LEU 7 HD11 LEU 7 -4.917 -0.657 3.369 48 HD12 LEU 7 HD12 LEU 7 -6.370 -0.987 2.395 49 HD13 LEU 7 HD13 LEU 7 -5.063 -2.171 2.453 50 HD21 LEU 7 HD21 LEU 7 -4.761 -2.108 5.624 51 HD22 LEU 7 HD22 LEU 7 -4.671 -3.391 4.416 52 HD23 LEU 7 HD23 LEU 7 -5.888 -3.458 5.705 53 H LEU 8 H LEU 8 -6.226 1.399 4.465 54 HA LEU 8 HA LEU 8 -3.409 1.538 3.832 55 HB2 LEU 8 HB3 LEU 8 -5.313 3.880 3.559 56 HB3 LEU 8 HB2 LEU 8 -3.604 3.926 3.136 57 HG LEU 8 HG LEU 8 -3.893 2.440 1.320 58 HD11 LEU 8 HD11 LEU 8 -6.773 2.153 2.096 59 HD12 LEU 8 HD12 LEU 8 -5.538 0.921 2.300 60 HD13 LEU 8 HD13 LEU 8 -5.995 1.434 0.679 61 HD21 LEU 8 HD21 LEU 8 -5.771 4.710 1.539 62 HD22 LEU 8 HD22 LEU 8 -5.863 3.667 0.115 63 HD23 LEU 8 HD23 LEU 8 -4.357 4.475 0.491 64 H GLN 9 H GLN 9 -5.198 3.180 6.260 65 HA GLN 9 HA GLN 9 -3.212 4.862 7.403 66 HB2 GLN 9 HB3 GLN 9 -5.523 5.367 7.298 67 HB3 GLN 9 HB2 GLN 9 -5.920 3.874 8.119 68 HG2 GLN 9 HG3 GLN 9 -6.166 5.535 9.534 69 HG3 GLN 9 HG2 GLN 9 -4.725 4.572 9.940 70 HE21 GLN 9 HE22 GLN 9 -5.657 7.846 9.668 71 HE22 GLN 9 HE21 GLN 9 -4.058 8.481 9.423 72 H ASP 10 H ASP 10 -4.082 1.745 7.826 73 HA ASP 10 HA ASP 10 -3.097 1.334 10.547 74 HB2 ASP 10 HB3 ASP 10 -4.180 -0.732 8.664 75 HB3 ASP 10 HB2 ASP 10 -3.373 -1.147 10.183 76 H LEU 11 H LEU 11 -2.022 0.646 7.226 77 HA LEU 11 HA LEU 11 0.342 -0.465 8.238 78 HB2 LEU 11 HB3 LEU 11 0.983 -0.803 5.978 79 HB3 LEU 11 HB2 LEU 11 -0.607 -1.520 6.277 80 HG LEU 11 HG LEU 11 -1.392 0.717 5.184 81 HD11 LEU 11 HD11 LEU 11 1.334 0.978 5.114 82 HD12 LEU 11 HD12 LEU 11 0.161 2.015 4.287 83 HD13 LEU 11 HD13 LEU 11 0.899 0.648 3.437 84 HD21 LEU 11 HD21 LEU 11 -1.677 -0.455 3.168 85 HD22 LEU 11 HD22 LEU 11 -1.560 -1.720 4.388 86 HD23 LEU 11 HD23 LEU 11 -0.167 -1.352 3.380 87 H THR 12 H THR 12 -0.863 2.440 7.092 88 HA THR 12 HA THR 12 1.529 3.948 6.639 89 HB THR 12 HB THR 12 -1.318 4.760 7.144 90 HG1 THR 12 HG1 THR 12 -1.114 3.939 5.198 91 HG21 THR 12 HG21 THR 12 -0.695 6.789 7.522 92 HG22 THR 12 HG22 THR 12 0.006 6.770 5.879 93 HG23 THR 12 HG23 THR 12 1.021 6.311 7.298 94 H ASN 13 H ASN 13 -0.410 3.352 9.498 95 HA ASN 13 HA ASN 13 1.010 5.128 11.244 96 HB2 ASN 13 HB3 ASN 13 -0.552 2.625 11.974 97 HB3 ASN 13 HB2 ASN 13 0.252 3.640 13.152 98 HD21 ASN 13 HD22 ASN 13 -2.664 2.931 12.012 99 HD22 ASN 13 HD21 ASN 13 -3.455 4.454 12.198 100 H ASN 14 H ASN 14 1.589 1.974 10.095 101 HA ASN 14 HA ASN 14 3.941 1.695 11.803 102 HB2 ASN 14 HB3 ASN 14 2.646 -0.257 9.879 103 HB3 ASN 14 HB2 ASN 14 4.128 -0.584 10.768 104 HD21 ASN 14 HD22 ASN 14 0.769 -0.795 10.887 105 HD22 ASN 14 HD21 ASN 14 0.635 -1.102 12.580 106 H ILE 15 H ILE 15 3.278 3.139 8.936 107 HA ILE 15 HA ILE 15 5.667 2.386 7.573 108 HB ILE 15 HB ILE 15 3.369 4.177 6.871 109 HG12 ILE 15 HG13 ILE 15 3.336 1.777 6.411 110 HG13 ILE 15 HG12 ILE 15 3.221 2.767 4.945 111 HG21 ILE 15 HG21 ILE 15 5.085 4.141 4.705 112 HG22 ILE 15 HG22 ILE 15 6.023 4.780 6.062 113 HG23 ILE 15 HG23 ILE 15 4.473 5.543 5.582 114 HD11 ILE 15 HD11 ILE 15 5.043 0.701 5.421 115 HD12 ILE 15 HD12 ILE 15 5.969 2.205 5.552 116 HD13 ILE 15 HD13 ILE 15 5.046 1.877 4.098 117 H THR 16 H THR 16 7.496 3.041 8.172 118 HA THR 16 HA THR 16 7.955 5.696 9.146 119 HB THR 16 HB THR 16 10.231 4.972 9.393 120 HG1 THR 16 HG1 THR 16 9.663 2.279 8.978 121 HG21 THR 16 HG21 THR 16 8.476 4.524 11.077 122 HG22 THR 16 HG22 THR 16 10.025 3.646 11.200 123 HG23 THR 16 HG23 THR 16 8.580 2.823 10.502 124 H LEU 17 H LEU 17 9.473 6.736 8.121 125 HA LEU 17 HA LEU 17 9.430 7.123 5.258 126 HB2 LEU 17 HB3 LEU 17 11.819 7.646 7.016 127 HB3 LEU 17 HB2 LEU 17 11.858 7.973 5.299 128 HG LEU 17 HG LEU 17 9.991 9.356 7.245 129 HD11 LEU 17 HD11 LEU 17 12.718 9.948 6.131 130 HD12 LEU 17 HD12 LEU 17 12.083 10.211 7.755 131 HD13 LEU 17 HD13 LEU 17 11.577 11.260 6.434 132 HD21 LEU 17 HD21 LEU 17 9.048 9.247 5.057 133 HD22 LEU 17 HD22 LEU 17 10.611 9.599 4.328 134 HD23 LEU 17 HD23 LEU 17 9.763 10.839 5.263 135 H GLU 18 H GLU 18 11.706 5.262 7.141 136 HA GLU 18 HA GLU 18 13.034 4.190 4.933 137 HB2 GLU 18 HB3 GLU 18 12.928 3.142 7.769 138 HB3 GLU 18 HB2 GLU 18 14.062 2.580 6.545 139 HG2 GLU 18 HG3 GLU 18 15.045 4.804 6.349 140 HG3 GLU 18 HG2 GLU 18 13.849 5.424 7.496 141 H ASP 19 H ASP 19 10.633 2.691 6.955 142 HA ASP 19 HA ASP 19 10.373 0.255 5.574 143 HB2 ASP 19 HB3 ASP 19 8.218 1.756 7.111 144 HB3 ASP 19 HB2 ASP 19 7.887 0.189 6.331 145 H LEU 20 H LEU 20 8.287 3.021 5.083 146 HA LEU 20 HA LEU 20 7.138 2.260 2.745 147 HB2 LEU 20 HB3 LEU 20 6.894 4.519 4.029 148 HB3 LEU 20 HB2 LEU 20 8.239 4.924 2.949 149 HG LEU 20 HG LEU 20 7.064 4.442 1.037 150 HD11 LEU 20 HD11 LEU 20 5.490 2.746 1.754 151 HD12 LEU 20 HD12 LEU 20 4.623 4.091 1.026 152 HD13 LEU 20 HD13 LEU 20 4.651 3.908 2.781 153 HD21 LEU 20 HD21 LEU 20 5.185 6.283 1.637 154 HD22 LEU 20 HD22 LEU 20 6.894 6.627 1.347 155 HD23 LEU 20 HD23 LEU 20 6.303 6.434 2.994 156 H GLU 21 H GLU 21 10.256 3.750 3.088 157 HA GLU 21 HA GLU 21 10.626 3.858 0.315 158 HB2 GLU 21 HB3 GLU 21 12.808 4.142 2.357 159 HB3 GLU 21 HB2 GLU 21 13.123 4.270 0.613 160 HG2 GLU 21 HG3 GLU 21 11.178 5.966 0.642 161 HG3 GLU 21 HG2 GLU 21 11.446 5.894 2.386 162 H GLN 22 H GLN 22 11.187 1.572 2.379 163 HA GLN 22 HA GLN 22 12.496 -0.202 0.568 164 HB2 GLN 22 HB3 GLN 22 12.700 -0.683 2.905 165 HB3 GLN 22 HB2 GLN 22 10.951 -0.869 3.029 166 HG2 GLN 22 HG3 GLN 22 11.028 -2.904 1.790 167 HG3 GLN 22 HG2 GLN 22 12.739 -2.641 1.418 168 HE21 GLN 22 HE22 GLN 22 10.529 -3.938 3.617 169 HE22 GLN 22 HE21 GLN 22 11.658 -4.367 4.854 170 H LEU 23 H LEU 23 8.980 0.221 1.300 171 HA LEU 23 HA LEU 23 8.033 -1.617 -0.566 172 HB2 LEU 23 HB3 LEU 23 6.960 1.088 0.277 173 HB3 LEU 23 HB2 LEU 23 6.045 -0.210 -0.467 174 HG LEU 23 HG LEU 23 7.312 -0.267 2.226 175 HD11 LEU 23 HD11 LEU 23 5.041 -0.047 3.061 176 HD12 LEU 23 HD12 LEU 23 4.447 -0.016 1.383 177 HD13 LEU 23 HD13 LEU 23 5.426 1.309 2.001 178 HD21 LEU 23 HD21 LEU 23 5.306 -2.166 2.070 179 HD22 LEU 23 HD22 LEU 23 7.051 -2.396 2.130 180 HD23 LEU 23 HD23 LEU 23 6.226 -2.319 0.567 181 H LYS 24 H LYS 24 8.908 1.632 -0.682 182 HA LYS 24 HA LYS 24 8.316 2.403 -3.389 183 HB2 LYS 24 HB3 LYS 24 10.606 3.433 -1.642 184 HB3 LYS 24 HB2 LYS 24 10.004 4.222 -3.084 185 HG2 LYS 24 HG3 LYS 24 7.873 4.756 -2.001 186 HG3 LYS 24 HG2 LYS 24 8.307 3.778 -0.594 187 HD2 LYS 24 HD3 LYS 24 8.500 6.171 -0.171 188 HD3 LYS 24 HD2 LYS 24 10.001 5.276 0.047 189 HE2 LYS 24 HE3 LYS 24 10.777 6.103 -2.112 190 HE3 LYS 24 HE2 LYS 24 9.271 6.961 -2.330 191 HZ1 LYS 24 HZ1 LYS 24 10.741 8.535 -1.534 192 HZ2 LYS 24 HZ2 LYS 24 11.371 7.579 -0.279 193 HZ3 LYS 24 HZ3 LYS 24 9.798 8.147 -0.193 194 H SER 25 H SER 25 10.940 1.405 -2.107 195 HA SER 25 HA SER 25 12.881 0.908 -4.169 196 HB2 SER 25 HB3 SER 25 12.812 -0.820 -1.668 197 HB3 SER 25 HB2 SER 25 14.181 -0.776 -2.798 198 HG SER 25 HG SER 25 13.144 1.353 -1.226 199 H ALA 26 H ALA 26 10.794 -1.192 -2.782 200 HA ALA 26 HA ALA 26 10.992 -3.342 -4.693 201 HB1 ALA 26 HB1 ALA 26 9.401 -4.468 -3.517 202 HB2 ALA 26 HB2 ALA 26 8.309 -3.081 -3.450 203 HB3 ALA 26 HB3 ALA 26 9.653 -3.194 -2.330 204 H CYS 27 H CYS 27 8.705 -0.608 -4.449 205 HA CYS 27 HA CYS 27 7.401 -1.232 -6.855 206 HB2 CYS 27 HB3 CYS 27 7.474 1.390 -5.419 207 HB3 CYS 27 HB2 CYS 27 6.358 0.831 -6.672 208 HG CYS 27 HG CYS 27 6.635 -0.392 -3.511 209 H LYS 28 H LYS 28 10.479 -0.027 -6.602 210 HA LYS 28 HA LYS 28 10.420 2.347 -7.887 211 HB2 LYS 28 HB3 LYS 28 12.789 2.231 -8.191 212 HB3 LYS 28 HB2 LYS 28 12.348 1.308 -6.762 213 HG2 LYS 28 HG3 LYS 28 12.643 -0.753 -7.946 214 HG3 LYS 28 HG2 LYS 28 13.051 0.158 -9.414 215 HD2 LYS 28 HD3 LYS 28 14.927 1.210 -8.212 216 HD3 LYS 28 HD2 LYS 28 14.575 0.230 -6.801 217 HE2 LYS 28 HE3 LYS 28 16.405 -0.738 -8.006 218 HE3 LYS 28 HE2 LYS 28 15.007 -1.803 -8.153 219 HZ1 LYS 28 HZ1 LYS 28 16.239 -1.491 -10.212 220 HZ2 LYS 28 HZ2 LYS 28 15.899 0.152 -10.186 221 HZ3 LYS 28 HZ3 LYS 28 14.635 -1.008 -10.414 222 H GLU 29 H GLU 29 10.231 -0.699 -9.321 223 HA GLU 29 HA GLU 29 10.650 0.088 -11.983 224 HB2 GLU 29 HB3 GLU 29 9.193 -2.307 -10.903 225 HB3 GLU 29 HB2 GLU 29 9.763 -2.132 -12.556 226 HG2 GLU 29 HG3 GLU 29 11.452 -2.047 -10.125 227 HG3 GLU 29 HG2 GLU 29 11.282 -3.513 -11.118 228 H ASP 30 H ASP 30 7.796 -0.335 -9.920 229 HA ASP 30 HA ASP 30 5.892 0.204 -12.026 230 HB2 ASP 30 HB3 ASP 30 5.482 -0.421 -9.115 231 HB3 ASP 30 HB2 ASP 30 4.159 -0.015 -10.186 232 H ILE 31 H ILE 31 6.890 1.965 -9.123 233 HA ILE 31 HA ILE 31 5.048 4.077 -9.901 234 HB ILE 31 HB ILE 31 5.060 3.094 -7.568 235 HG12 ILE 31 HG13 ILE 31 4.116 5.315 -7.902 236 HG13 ILE 31 HG12 ILE 31 4.761 5.095 -6.283 237 HG21 ILE 31 HG21 ILE 31 7.699 4.389 -7.377 238 HG22 ILE 31 HG22 ILE 31 7.208 2.690 -7.050 239 HG23 ILE 31 HG23 ILE 31 6.662 4.010 -5.987 240 HD11 ILE 31 HD11 ILE 31 6.603 6.261 -8.203 241 HD12 ILE 31 HD12 ILE 31 6.274 6.695 -6.520 242 HD13 ILE 31 HD13 ILE 31 5.201 7.301 -7.787 243 HA PRO 32 HA PRO 32 8.233 6.016 -11.921 244 HB2 PRO 32 HB2 PRO 32 6.877 8.611 -11.445 245 HB3 PRO 32 HB3 PRO 32 7.367 7.884 -12.978 246 HG2 PRO 32 HG3 PRO 32 4.816 7.858 -12.234 247 HG3 PRO 32 HG2 PRO 32 5.532 6.423 -13.006 248 HD2 PRO 32 HD3 PRO 32 5.061 7.019 -10.123 249 HD3 PRO 32 HD2 PRO 32 4.671 5.502 -10.997 250 H SER 33 H SER 33 9.967 6.941 -11.660 251 HA SER 33 HA SER 33 11.369 7.321 -9.199 252 HB2 SER 33 HB3 SER 33 12.685 7.097 -11.293 253 HB3 SER 33 HB2 SER 33 12.149 8.695 -11.808 254 HG SER 33 HG SER 33 13.315 9.440 -9.777 255 H GLU 34 H GLU 34 10.313 9.697 -11.286 256 HA GLU 34 HA GLU 34 10.656 12.088 -9.921 257 HB2 GLU 34 HB3 GLU 34 9.789 12.073 -12.178 258 HB3 GLU 34 HB2 GLU 34 8.255 11.404 -11.628 259 HG2 GLU 34 HG3 GLU 34 7.755 13.498 -10.486 260 HG3 GLU 34 HG2 GLU 34 9.318 14.152 -10.982 261 H LYS 35 H LYS 35 8.041 10.106 -9.664 262 HA LYS 35 HA LYS 35 6.957 11.480 -7.391 263 HB2 LYS 35 HB3 LYS 35 5.902 9.034 -8.728 264 HB3 LYS 35 HB2 LYS 35 5.195 9.679 -7.252 265 HG2 LYS 35 HG3 LYS 35 5.541 11.248 -9.786 266 HG3 LYS 35 HG2 LYS 35 4.052 10.438 -9.249 267 HD2 LYS 35 HD3 LYS 35 4.097 11.635 -7.185 268 HD3 LYS 35 HD2 LYS 35 5.564 12.489 -7.613 269 HE2 LYS 35 HE3 LYS 35 4.278 13.590 -9.483 270 HE3 LYS 35 HE2 LYS 35 2.841 12.784 -8.884 271 HZ1 LYS 35 HZ1 LYS 35 2.636 14.673 -7.571 272 HZ2 LYS 35 HZ2 LYS 35 4.254 15.066 -7.790 273 HZ3 LYS 35 HZ3 LYS 35 3.820 13.931 -6.643 274 H SER 36 H SER 36 8.377 8.202 -7.530 275 HA SER 36 HA SER 36 8.136 7.596 -4.926 276 HB2 SER 36 HB3 SER 36 8.938 6.108 -6.671 277 HB3 SER 36 HB2 SER 36 10.446 7.011 -6.798 278 HG SER 36 HG SER 36 10.607 5.127 -5.511 279 H GLU 37 H GLU 37 10.184 9.687 -6.344 280 HA GLU 37 HA GLU 37 12.060 10.121 -4.237 281 HB2 GLU 37 HB3 GLU 37 11.358 12.073 -6.430 282 HB3 GLU 37 HB2 GLU 37 12.689 12.343 -5.295 283 HG2 GLU 37 HG3 GLU 37 13.775 10.272 -6.064 284 HG3 GLU 37 HG2 GLU 37 12.424 9.977 -7.134 285 H GLU 38 H GLU 38 8.964 12.047 -4.788 286 HA GLU 38 HA GLU 38 9.367 13.432 -2.458 287 HB2 GLU 38 HB3 GLU 38 7.179 14.305 -2.866 288 HB3 GLU 38 HB2 GLU 38 8.054 14.211 -4.390 289 HG2 GLU 38 HG3 GLU 38 6.777 12.211 -5.005 290 HG3 GLU 38 HG2 GLU 38 5.995 12.232 -3.454 291 H ILE 39 H ILE 39 8.288 10.275 -2.846 292 HA ILE 39 HA ILE 39 6.082 10.381 -1.100 293 HB ILE 39 HB ILE 39 7.593 7.996 -2.131 294 HG12 ILE 39 HG13 ILE 39 4.863 9.026 -2.970 295 HG13 ILE 39 HG12 ILE 39 6.377 9.355 -3.860 296 HG21 ILE 39 HG21 ILE 39 6.416 6.730 -0.707 297 HG22 ILE 39 HG22 ILE 39 4.965 7.341 -1.541 298 HG23 ILE 39 HG23 ILE 39 5.565 8.176 -0.100 299 HD11 ILE 39 HD11 ILE 39 5.329 6.610 -3.236 300 HD12 ILE 39 HD12 ILE 39 6.466 7.135 -4.483 301 HD13 ILE 39 HD13 ILE 39 4.762 7.581 -4.588 302 H THR 40 H THR 40 7.008 11.435 0.592 303 HA THR 40 HA THR 40 8.744 10.154 2.490 304 HB THR 40 HB THR 40 9.055 12.531 2.156 305 HG1 THR 40 HG1 THR 40 8.162 11.682 4.608 306 HG21 THR 40 HG21 THR 40 6.904 13.127 1.239 307 HG22 THR 40 HG22 THR 40 7.178 14.137 2.663 308 HG23 THR 40 HG23 THR 40 6.115 12.715 2.760 309 H THR 41 H THR 41 5.701 9.692 1.953 310 HA THR 41 HA THR 41 5.227 8.692 4.567 311 HB THR 41 HB THR 41 4.577 10.855 5.082 312 HG1 THR 41 HG1 THR 41 2.422 10.581 5.809 313 HG21 THR 41 HG21 THR 41 3.247 10.916 2.486 314 HG22 THR 41 HG22 THR 41 3.894 12.227 3.470 315 HG23 THR 41 HG23 THR 41 2.275 11.599 3.782 316 H GLY 42 H GLY 42 3.455 7.471 4.879 317 HA2 GLY 42 HA3 GLY 42 3.146 5.622 2.718 318 HA3 GLY 42 HA2 GLY 42 2.203 5.521 4.211 319 H SER 43 H SER 43 0.592 7.916 4.205 320 HA SER 43 HA SER 43 -1.346 7.477 2.531 321 HB2 SER 43 HB3 SER 43 -0.290 10.056 3.689 322 HB3 SER 43 HB2 SER 43 -1.957 9.752 3.180 323 HG SER 43 HG SER 43 -2.289 8.611 4.931 324 H ALA 44 H ALA 44 1.387 9.495 2.142 325 HA ALA 44 HA ALA 44 0.804 10.943 -0.193 326 HB1 ALA 44 HB1 ALA 44 3.577 10.159 -0.375 327 HB2 ALA 44 HB2 ALA 44 3.171 10.642 1.272 328 HB3 ALA 44 HB3 ALA 44 2.894 11.756 -0.061 329 H TRP 45 H TRP 45 2.475 7.879 -0.002 330 HA TRP 45 HA TRP 45 2.543 7.378 -2.791 331 HB2 TRP 45 HB3 TRP 45 3.891 6.130 -0.970 332 HB3 TRP 45 HB2 TRP 45 2.412 5.377 -0.538 333 HD1 TRP 45 HD1 TRP 45 3.777 5.788 -4.159 334 HE1 TRP 45 HE1 TRP 45 3.801 3.308 -5.134 335 HE3 TRP 45 HE3 TRP 45 2.422 3.112 -0.018 336 HZ2 TRP 45 HZ2 TRP 45 3.415 0.797 -4.307 337 HZ3 TRP 45 HZ3 TRP 45 2.310 0.656 -0.203 338 HH2 TRP 45 HH2 TRP 45 2.805 -0.433 -2.351 339 H PHE 46 H PHE 46 0.236 6.268 -0.338 340 HA PHE 46 HA PHE 46 -1.314 4.938 -2.197 341 HB2 PHE 46 HB3 PHE 46 -2.229 6.400 0.266 342 HB3 PHE 46 HB2 PHE 46 -3.271 5.337 -0.669 343 HD1 PHE 46 HD1 PHE 46 -2.013 3.035 -1.210 344 HD2 PHE 46 HD2 PHE 46 -1.428 5.480 2.234 345 HE1 PHE 46 HE1 PHE 46 -1.379 1.057 0.081 346 HE2 PHE 46 HE2 PHE 46 -0.827 3.460 3.545 347 HZ PHE 46 HZ PHE 46 -0.787 1.262 2.413 348 H SER 47 H SER 47 -1.715 8.021 -1.088 349 HA SER 47 HA SER 47 -3.743 8.916 -2.894 350 HB2 SER 47 HB3 SER 47 -1.797 10.627 -1.394 351 HB3 SER 47 HB2 SER 47 -3.203 11.282 -2.239 352 HG SER 47 HG SER 47 -4.327 9.539 -0.965 353 H PHE 48 H PHE 48 -0.362 8.904 -3.528 354 HA PHE 48 HA PHE 48 -0.608 10.325 -6.035 355 HB2 PHE 48 HB3 PHE 48 1.609 10.096 -5.165 356 HB3 PHE 48 HB2 PHE 48 1.419 8.355 -4.953 357 HD1 PHE 48 HD2 PHE 48 1.091 10.879 -7.730 358 HD2 PHE 48 HD1 PHE 48 2.270 7.052 -6.431 359 HE1 PHE 48 HE2 PHE 48 1.888 10.396 -9.962 360 HE2 PHE 48 HE1 PHE 48 3.110 6.541 -8.712 361 HZ PHE 48 HZ PHE 48 2.896 8.218 -10.470 362 H LEU 49 H LEU 49 -0.349 6.866 -5.031 363 HA LEU 49 HA LEU 49 -0.606 5.670 -7.416 364 HB2 LEU 49 HB3 LEU 49 -0.129 5.058 -5.023 365 HB3 LEU 49 HB2 LEU 49 -1.876 4.736 -4.927 366 HG LEU 49 HG LEU 49 -1.532 2.960 -6.705 367 HD11 LEU 49 HD11 LEU 49 1.367 3.056 -6.323 368 HD12 LEU 49 HD12 LEU 49 0.725 4.466 -7.163 369 HD13 LEU 49 HD13 LEU 49 0.429 2.857 -7.814 370 HD21 LEU 49 HD21 LEU 49 -0.935 2.870 -3.998 371 HD22 LEU 49 HD22 LEU 49 0.513 2.208 -4.736 372 HD23 LEU 49 HD23 LEU 49 -1.045 1.469 -5.052 373 H GLU 50 H GLU 50 -3.061 6.288 -5.075 374 HA GLU 50 HA GLU 50 -5.558 5.763 -6.246 375 HB2 GLU 50 HB3 GLU 50 -5.090 8.350 -4.697 376 HB3 GLU 50 HB2 GLU 50 -6.655 7.745 -5.153 377 HG2 GLU 50 HG3 GLU 50 -6.340 5.847 -3.631 378 HG3 GLU 50 HG2 GLU 50 -4.743 6.481 -3.223 379 H SER 51 H SER 51 -3.863 8.375 -6.499 380 HA SER 51 HA SER 51 -5.327 10.045 -8.382 381 HB2 SER 51 HB3 SER 51 -2.304 10.124 -8.214 382 HB3 SER 51 HB2 SER 51 -3.311 11.334 -9.034 383 HG SER 51 HG SER 51 -3.315 10.617 -6.316 384 H HIS 52 H HIS 52 -3.172 7.363 -8.996 385 HA HIS 52 HA HIS 52 -3.939 7.532 -11.835 386 HB2 HIS 52 HB3 HIS 52 -1.589 6.124 -10.605 387 HB3 HIS 52 HB2 HIS 52 -1.997 5.881 -12.338 388 HD1 HIS 52 HD1 HIS 52 0.312 6.953 -13.097 389 HD2 HIS 52 HD2 HIS 52 -1.867 9.089 -10.384 390 HE1 HIS 52 HE1 HIS 52 1.650 9.074 -12.727 391 H ASN 53 H ASN 53 -3.903 5.072 -12.762 392 HA ASN 53 HA ASN 53 -5.998 3.825 -11.193 393 HB2 ASN 53 HB3 ASN 53 -5.007 3.110 -13.972 394 HB3 ASN 53 HB2 ASN 53 -6.285 2.245 -13.146 395 HD21 ASN 53 HD22 ASN 53 -5.770 4.456 -15.458 396 HD22 ASN 53 HD21 ASN 53 -7.244 5.345 -15.360 397 H LYS 54 H LYS 54 -3.605 3.626 -9.861 398 HA LYS 54 HA LYS 54 -2.954 0.820 -10.276 399 HB2 LYS 54 HB3 LYS 54 -1.268 2.689 -8.612 400 HB3 LYS 54 HB2 LYS 54 -1.009 0.974 -8.917 401 HG2 LYS 54 HG3 LYS 54 -0.845 3.192 -10.965 402 HG3 LYS 54 HG2 LYS 54 0.473 2.242 -10.268 403 HD2 LYS 54 HD3 LYS 54 -1.797 1.112 -11.865 404 HD3 LYS 54 HD2 LYS 54 -0.212 1.500 -12.550 405 HE2 LYS 54 HE3 LYS 54 -0.737 -0.530 -10.370 406 HE3 LYS 54 HE2 LYS 54 -0.490 -0.916 -12.065 407 HZ1 LYS 54 HZ1 LYS 54 1.596 0.532 -10.499 408 HZ2 LYS 54 HZ2 LYS 54 1.733 -0.286 -11.970 409 HZ3 LYS 54 HZ3 LYS 54 1.507 -1.174 -10.613 410 H LEU 55 H LEU 55 -4.866 2.692 -8.394 411 HA LEU 55 HA LEU 55 -5.426 0.489 -6.685 412 HB2 LEU 55 HB3 LEU 55 -3.370 1.205 -5.564 413 HB3 LEU 55 HB2 LEU 55 -3.959 2.835 -5.472 414 HG LEU 55 HG LEU 55 -5.337 0.594 -3.961 415 HD11 LEU 55 HD11 LEU 55 -3.574 0.506 -2.517 416 HD12 LEU 55 HD12 LEU 55 -3.693 2.241 -2.231 417 HD13 LEU 55 HD13 LEU 55 -2.668 1.624 -3.521 418 HD21 LEU 55 HD21 LEU 55 -5.470 2.813 -2.380 419 HD22 LEU 55 HD22 LEU 55 -6.705 2.331 -3.549 420 HD23 LEU 55 HD23 LEU 55 -5.486 3.546 -3.971 421 H ASP 56 H ASP 56 -7.318 0.550 -7.074 422 HA ASP 56 HA ASP 56 -9.074 2.807 -6.710 423 HB2 ASP 56 HB3 ASP 56 -9.799 -0.103 -7.027 424 HB3 ASP 56 HB2 ASP 56 -10.971 1.162 -6.777 425 H LYS 57 H LYS 57 -10.987 2.356 -5.380 426 HA LYS 57 HA LYS 57 -10.274 2.089 -2.694 427 HB2 LYS 57 HB3 LYS 57 -12.810 2.016 -2.311 428 HB3 LYS 57 HB2 LYS 57 -12.071 3.473 -2.948 429 HG2 LYS 57 HG3 LYS 57 -14.215 2.893 -4.036 430 HG3 LYS 57 HG2 LYS 57 -12.783 2.977 -5.097 431 HD2 LYS 57 HD3 LYS 57 -12.625 0.680 -5.205 432 HD3 LYS 57 HD2 LYS 57 -13.813 0.430 -3.974 433 HE2 LYS 57 HE3 LYS 57 -14.667 -0.038 -6.211 434 HE3 LYS 57 HE2 LYS 57 -15.624 1.202 -5.384 435 HZ1 LYS 57 HZ1 LYS 57 -15.465 2.094 -7.365 436 HZ2 LYS 57 HZ2 LYS 57 -14.036 1.393 -7.858 437 HZ3 LYS 57 HZ3 LYS 57 -14.041 2.773 -6.851 438 H ASP 58 H ASP 58 -11.146 -0.293 -5.039 439 HA ASP 58 HA ASP 58 -11.524 -2.137 -2.920 440 HB2 ASP 58 HB3 ASP 58 -12.301 -2.484 -5.810 441 HB3 ASP 58 HB2 ASP 58 -12.259 -3.821 -4.669 442 H ASN 59 H ASN 59 -9.572 -1.361 -5.488 443 HA ASN 59 HA ASN 59 -8.201 -3.872 -5.458 444 HB2 ASN 59 HB3 ASN 59 -7.789 -1.446 -7.150 445 HB3 ASN 59 HB2 ASN 59 -6.838 -2.949 -7.282 446 HD21 ASN 59 HD22 ASN 59 -9.648 -1.405 -8.211 447 HD22 ASN 59 HD21 ASN 59 -10.463 -2.781 -8.828 448 H LEU 60 H LEU 60 -6.617 -4.401 -4.714 449 HA LEU 60 HA LEU 60 -4.812 -2.584 -3.292 450 HB2 LEU 60 HB3 LEU 60 -4.794 -3.987 -1.318 451 HB3 LEU 60 HB2 LEU 60 -6.401 -3.416 -1.660 452 HG LEU 60 HG LEU 60 -5.401 -6.245 -2.144 453 HD11 LEU 60 HD11 LEU 60 -7.587 -5.954 -0.286 454 HD12 LEU 60 HD12 LEU 60 -6.198 -4.968 0.177 455 HD13 LEU 60 HD13 LEU 60 -5.996 -6.697 -0.056 456 HD21 LEU 60 HD21 LEU 60 -7.079 -6.209 -3.649 457 HD22 LEU 60 HD22 LEU 60 -7.846 -4.815 -2.904 458 HD23 LEU 60 HD23 LEU 60 -8.095 -6.429 -2.204 459 H SER 61 H SER 61 -5.221 -5.527 -4.850 460 HA SER 61 HA SER 61 -3.194 -7.106 -4.056 461 HB2 SER 61 HB3 SER 61 -4.940 -7.851 -5.704 462 HB3 SER 61 HB2 SER 61 -4.019 -7.066 -6.979 463 HG SER 61 HG SER 61 -3.076 -9.092 -5.276 464 H TYR 62 H TYR 62 -2.743 -4.612 -6.200 465 HA TYR 62 HA TYR 62 0.017 -4.990 -6.942 466 HB2 TYR 62 HB3 TYR 62 -1.009 -3.331 -8.211 467 HB3 TYR 62 HB2 TYR 62 -1.640 -2.497 -6.797 468 HD1 TYR 62 HD2 TYR 62 1.896 -3.589 -7.420 469 HD2 TYR 62 HD1 TYR 62 -0.821 -0.366 -7.012 470 HE1 TYR 62 HE2 TYR 62 3.798 -1.983 -7.341 471 HE2 TYR 62 HE1 TYR 62 1.046 1.208 -7.035 472 HH TYR 62 HH TYR 62 4.236 0.274 -6.581 473 H ILE 63 H ILE 63 -1.402 -3.194 -4.315 474 HA ILE 63 HA ILE 63 1.152 -2.465 -3.211 475 HB ILE 63 HB ILE 63 0.026 -1.231 -1.594 476 HG12 ILE 63 HG13 ILE 63 -2.593 -2.602 -2.194 477 HG13 ILE 63 HG12 ILE 63 -1.552 -3.151 -0.880 478 HG21 ILE 63 HG21 ILE 63 -1.305 0.142 -2.768 479 HG22 ILE 63 HG22 ILE 63 -1.994 -1.205 -3.674 480 HG23 ILE 63 HG23 ILE 63 -0.325 -0.671 -4.015 481 HD11 ILE 63 HD11 ILE 63 -3.050 -0.607 -1.161 482 HD12 ILE 63 HD12 ILE 63 -1.550 -0.741 -0.239 483 HD13 ILE 63 HD13 ILE 63 -2.937 -1.756 0.217 484 H GLU 64 H GLU 64 -1.049 -4.935 -3.005 485 HA GLU 64 HA GLU 64 -0.545 -6.115 -0.407 486 HB2 GLU 64 HB3 GLU 64 -2.504 -6.673 -1.817 487 HB3 GLU 64 HB2 GLU 64 -1.443 -7.382 -3.014 488 HG2 GLU 64 HG3 GLU 64 -0.791 -9.066 -1.257 489 HG3 GLU 64 HG2 GLU 64 -2.072 -8.373 -0.261 490 H HIS 65 H HIS 65 0.520 -7.000 -3.708 491 HA HIS 65 HA HIS 65 2.634 -8.678 -3.129 492 HB2 HIS 65 HB3 HIS 65 1.607 -8.176 -5.315 493 HB3 HIS 65 HB2 HIS 65 2.215 -6.540 -5.209 494 HD1 HIS 65 HD1 HIS 65 3.851 -10.016 -5.081 495 HD2 HIS 65 HD2 HIS 65 4.290 -6.183 -6.574 496 HE1 HIS 65 HE1 HIS 65 5.782 -10.195 -6.675 497 H ILE 66 H ILE 66 2.845 -5.285 -3.677 498 HA ILE 66 HA ILE 66 5.373 -4.905 -3.142 499 HB ILE 66 HB ILE 66 3.238 -3.128 -2.051 500 HG12 ILE 66 HG13 ILE 66 3.094 -3.681 -4.265 501 HG13 ILE 66 HG12 ILE 66 3.459 -1.921 -4.277 502 HG21 ILE 66 HG21 ILE 66 5.087 -2.303 -0.888 503 HG22 ILE 66 HG22 ILE 66 5.076 -1.254 -2.277 504 HG23 ILE 66 HG23 ILE 66 6.221 -2.603 -2.182 505 HD11 ILE 66 HD11 ILE 66 4.677 -4.235 -5.399 506 HD12 ILE 66 HD12 ILE 66 5.864 -3.244 -4.519 507 HD13 ILE 66 HD13 ILE 66 4.861 -2.528 -5.823 508 H PHE 67 H PHE 67 2.883 -5.107 -0.477 509 HA PHE 67 HA PHE 67 4.819 -4.826 1.376 510 HB2 PHE 67 HB3 PHE 67 2.072 -6.059 1.666 511 HB3 PHE 67 HB2 PHE 67 3.137 -5.578 2.983 512 HD1 PHE 67 HD2 PHE 67 3.963 -3.094 2.866 513 HD2 PHE 67 HD1 PHE 67 0.547 -4.623 0.953 514 HE1 PHE 67 HE2 PHE 67 3.122 -0.811 2.593 515 HE2 PHE 67 HE1 PHE 67 -0.331 -2.347 0.669 516 HZ PHE 67 HZ PHE 67 0.967 -0.422 1.490 517 H GLU 68 H GLU 68 3.863 -7.714 -0.569 518 HA GLU 68 HA GLU 68 4.693 -9.757 1.172 519 HB2 GLU 68 HB3 GLU 68 3.084 -10.031 -0.641 520 HB3 GLU 68 HB2 GLU 68 4.200 -9.329 -1.784 521 HG2 GLU 68 HG3 GLU 68 5.655 -11.309 -1.464 522 HG3 GLU 68 HG2 GLU 68 4.397 -12.021 -0.451 523 H ILE 69 H ILE 69 5.982 -8.395 -1.763 524 HA ILE 69 HA ILE 69 8.374 -9.638 -1.676 525 HB ILE 69 HB ILE 69 9.196 -8.134 -3.349 526 HG12 ILE 69 HG13 ILE 69 6.581 -6.681 -2.929 527 HG13 ILE 69 HG12 ILE 69 8.189 -6.044 -2.636 528 HG21 ILE 69 HG21 ILE 69 6.461 -8.677 -4.222 529 HG22 ILE 69 HG22 ILE 69 7.313 -10.044 -3.481 530 HG23 ILE 69 HG23 ILE 69 7.991 -9.231 -4.899 531 HD11 ILE 69 HD11 ILE 69 8.081 -7.101 -5.205 532 HD12 ILE 69 HD12 ILE 69 8.338 -5.388 -4.747 533 HD13 ILE 69 HD13 ILE 69 6.679 -6.045 -4.992 534 H SER 70 H SER 70 7.692 -6.522 -0.352 535 HA SER 70 HA SER 70 10.444 -6.043 0.307 536 HB2 SER 70 HB3 SER 70 9.559 -3.958 1.304 537 HB3 SER 70 HB2 SER 70 8.969 -4.187 -0.350 538 HG SER 70 HG SER 70 7.013 -4.785 0.403 539 H ARG 71 H ARG 71 11.121 -5.957 2.554 540 HA ARG 71 HA ARG 71 9.870 -8.001 3.985 541 HB2 ARG 71 HB3 ARG 71 12.378 -6.501 4.691 542 HB3 ARG 71 HB2 ARG 71 11.701 -7.821 5.640 543 HG2 ARG 71 HG3 ARG 71 12.487 -8.017 2.781 544 HG3 ARG 71 HG2 ARG 71 13.433 -8.650 4.163 545 HD2 ARG 71 HD3 ARG 71 10.648 -9.457 3.297 546 HD3 ARG 71 HD2 ARG 71 12.106 -10.431 3.103 547 HE ARG 71 HE ARG 71 11.833 -9.822 5.799 548 HH11 ARG 71 HH11 ARG 71 10.201 -11.796 3.320 549 HH12 ARG 71 HH12 ARG 71 9.509 -12.873 4.426 550 HH21 ARG 71 HH22 ARG 71 10.823 -11.331 7.350 551 HH22 ARG 71 HH21 ARG 71 9.819 -12.570 6.759 552 H ARG 72 H ARG 72 7.988 -6.774 4.062 553 HA ARG 72 HA ARG 72 7.535 -5.937 6.743 554 HB2 ARG 72 HB3 ARG 72 7.049 -4.052 4.516 555 HB3 ARG 72 HB2 ARG 72 5.840 -4.115 5.786 556 HG2 ARG 72 HG3 ARG 72 8.769 -3.575 6.183 557 HG3 ARG 72 HG2 ARG 72 7.471 -2.376 6.226 558 HD2 ARG 72 HD3 ARG 72 6.390 -3.692 8.067 559 HD3 ARG 72 HD2 ARG 72 7.828 -4.717 8.110 560 HE ARG 72 HE ARG 72 8.556 -2.055 8.267 561 HH11 ARG 72 HH11 ARG 72 7.159 -4.577 10.438 562 HH12 ARG 72 HH12 ARG 72 7.515 -3.702 11.830 563 HH21 ARG 72 HH22 ARG 72 8.956 -0.883 10.122 564 HH22 ARG 72 HH21 ARG 72 8.615 -1.501 11.684 565 HA PRO 73 HA PRO 73 4.416 -8.953 5.238 566 HB2 PRO 73 HB2 PRO 73 4.784 -10.661 7.304 567 HB3 PRO 73 HB3 PRO 73 5.696 -10.758 5.796 568 HG2 PRO 73 HG3 PRO 73 6.407 -9.448 8.354 569 HG3 PRO 73 HG2 PRO 73 7.390 -10.574 7.358 570 HD2 PRO 73 HD3 PRO 73 7.804 -7.941 7.249 571 HD3 PRO 73 HD2 PRO 73 7.835 -8.936 5.776 572 H ASP 74 H ASP 74 5.119 -7.048 8.050 573 HA ASP 74 HA ASP 74 2.852 -7.685 9.675 574 HB2 ASP 74 HB3 ASP 74 4.453 -5.101 9.481 575 HB3 ASP 74 HB2 ASP 74 3.441 -5.593 10.825 576 H LEU 75 H LEU 75 3.678 -5.255 7.551 577 HA LEU 75 HA LEU 75 1.157 -3.929 7.387 578 HB2 LEU 75 HB3 LEU 75 3.481 -3.777 5.468 579 HB3 LEU 75 HB2 LEU 75 2.051 -2.815 5.247 580 HG LEU 75 HG LEU 75 2.558 -1.526 7.354 581 HD11 LEU 75 HD11 LEU 75 5.083 -3.149 7.559 582 HD12 LEU 75 HD12 LEU 75 3.682 -3.404 8.592 583 HD13 LEU 75 HD13 LEU 75 4.516 -1.852 8.611 584 HD21 LEU 75 HD21 LEU 75 4.000 -0.263 6.287 585 HD22 LEU 75 HD22 LEU 75 3.754 -1.400 4.959 586 HD23 LEU 75 HD23 LEU 75 5.141 -1.586 6.045 587 H LEU 76 H LEU 76 2.652 -6.075 5.344 588 HA LEU 76 HA LEU 76 0.705 -6.729 3.316 589 HB2 LEU 76 HB3 LEU 76 2.829 -8.115 3.505 590 HB3 LEU 76 HB2 LEU 76 1.990 -8.970 4.820 591 HG LEU 76 HG LEU 76 0.162 -9.285 3.087 592 HD11 LEU 76 HD11 LEU 76 0.804 -7.970 1.428 593 HD12 LEU 76 HD12 LEU 76 0.762 -9.647 0.876 594 HD13 LEU 76 HD13 LEU 76 2.310 -8.855 1.215 595 HD21 LEU 76 HD21 LEU 76 2.492 -10.921 3.716 596 HD22 LEU 76 HD22 LEU 76 1.696 -11.340 2.190 597 HD23 LEU 76 HD23 LEU 76 0.771 -11.317 3.689 598 H THR 77 H THR 77 1.065 -8.213 6.342 599 HA THR 77 HA THR 77 -1.126 -9.795 6.679 600 HB THR 77 HB THR 77 0.297 -8.115 8.644 601 HG1 THR 77 HG1 THR 77 1.650 -9.668 8.090 602 HG21 THR 77 HG21 THR 77 -2.111 -9.195 9.012 603 HG22 THR 77 HG22 THR 77 -0.993 -8.625 10.254 604 HG23 THR 77 HG23 THR 77 -1.038 -10.386 9.810 605 H MET 78 H MET 78 -0.907 -6.421 7.419 606 HA MET 78 HA MET 78 -3.519 -6.045 8.350 607 HB2 MET 78 HB3 MET 78 -1.708 -4.065 6.982 608 HB3 MET 78 HB2 MET 78 -3.162 -3.646 7.882 609 HG2 MET 78 HG3 MET 78 -0.890 -5.174 9.014 610 HG3 MET 78 HG2 MET 78 -1.008 -3.398 9.193 611 HE1 MET 78 HE1 MET 78 -1.724 -4.289 12.771 612 HE2 MET 78 HE2 MET 78 -0.585 -3.732 11.560 613 HE3 MET 78 HE3 MET 78 -0.720 -5.449 11.886 614 H VAL 79 H VAL 79 -2.202 -5.970 5.092 615 HA VAL 79 HA VAL 79 -4.586 -5.094 3.747 616 HB VAL 79 HB VAL 79 -2.187 -6.639 2.707 617 HG11 VAL 79 HG11 VAL 79 -4.533 -5.613 1.400 618 HG12 VAL 79 HG12 VAL 79 -3.292 -6.718 0.823 619 HG13 VAL 79 HG13 VAL 79 -3.042 -4.963 0.701 620 HG21 VAL 79 HG21 VAL 79 -2.550 -3.714 3.196 621 HG22 VAL 79 HG22 VAL 79 -1.448 -4.287 1.949 622 HG23 VAL 79 HG23 VAL 79 -1.212 -4.770 3.629 623 H VAL 80 H VAL 80 -2.982 -8.199 4.202 624 HA VAL 80 HA VAL 80 -4.855 -9.998 3.078 625 HB VAL 80 HB VAL 80 -3.003 -10.338 5.499 626 HG11 VAL 80 HG11 VAL 80 -3.203 -12.718 5.219 627 HG12 VAL 80 HG12 VAL 80 -4.336 -12.502 3.867 628 HG13 VAL 80 HG13 VAL 80 -4.780 -11.988 5.495 629 HG21 VAL 80 HG21 VAL 80 -1.379 -10.200 4.001 630 HG22 VAL 80 HG22 VAL 80 -2.515 -10.243 2.651 631 HG23 VAL 80 HG23 VAL 80 -1.932 -11.758 3.358 632 H ASP 81 H ASP 81 -4.520 -9.009 6.245 633 HA ASP 81 HA ASP 81 -6.694 -10.119 7.630 634 HB2 ASP 81 HB3 ASP 81 -5.061 -8.809 8.897 635 HB3 ASP 81 HB2 ASP 81 -5.602 -7.315 8.143 636 H TYR 82 H TYR 82 -6.479 -7.092 6.094 637 HA TYR 82 HA TYR 82 -9.070 -5.995 6.397 638 HB2 TYR 82 HB3 TYR 82 -7.377 -4.603 5.641 639 HB3 TYR 82 HB2 TYR 82 -7.029 -5.631 4.243 640 HD1 TYR 82 HD2 TYR 82 -9.828 -3.776 5.763 641 HD2 TYR 82 HD1 TYR 82 -7.839 -5.085 2.322 642 HE1 TYR 82 HE2 TYR 82 -11.394 -2.435 4.349 643 HE2 TYR 82 HE1 TYR 82 -9.349 -3.829 0.876 644 HH TYR 82 HH TYR 82 -11.092 -2.496 0.816 645 H ARG 83 H ARG 83 -7.677 -7.781 3.641 646 HA ARG 83 HA ARG 83 -9.890 -7.732 2.066 647 HB2 ARG 83 HB3 ARG 83 -7.838 -8.202 1.039 648 HB3 ARG 83 HB2 ARG 83 -7.431 -9.415 2.228 649 HG2 ARG 83 HG3 ARG 83 -9.663 -9.898 0.377 650 HG3 ARG 83 HG2 ARG 83 -7.976 -10.140 -0.204 651 HD2 ARG 83 HD3 ARG 83 -7.658 -11.613 1.723 652 HD3 ARG 83 HD2 ARG 83 -9.328 -11.405 2.199 653 HE ARG 83 HE ARG 83 -9.184 -12.301 -0.479 654 HH11 ARG 83 HH11 ARG 83 -8.922 -13.509 2.899 655 HH12 ARG 83 HH12 ARG 83 -9.221 -15.128 2.446 656 HH21 ARG 83 HH22 ARG 83 -9.603 -14.597 -1.005 657 HH22 ARG 83 HH21 ARG 83 -9.617 -15.732 0.268 658 H THR 84 H THR 84 -8.883 -10.023 4.143 659 HA THR 84 HA THR 84 -11.061 -11.870 3.949 660 HB THR 84 HB THR 84 -9.150 -11.409 6.181 661 HG1 THR 84 HG1 THR 84 -7.801 -12.257 4.846 662 HG21 THR 84 HG21 THR 84 -11.170 -13.420 5.574 663 HG22 THR 84 HG22 THR 84 -10.728 -12.641 7.103 664 HG23 THR 84 HG23 THR 84 -9.674 -13.928 6.438 665 H ARG 85 H ARG 85 -10.352 -10.015 6.517 666 HA ARG 85 HA ARG 85 -12.529 -10.225 8.039 667 HB2 ARG 85 HB3 ARG 85 -11.965 -8.384 9.530 668 HB3 ARG 85 HB2 ARG 85 -10.517 -9.208 8.999 669 HG2 ARG 85 HG3 ARG 85 -9.754 -7.056 8.853 670 HG3 ARG 85 HG2 ARG 85 -10.545 -7.062 7.290 671 HD2 ARG 85 HD3 ARG 85 -12.480 -6.160 8.168 672 HD3 ARG 85 HD2 ARG 85 -11.855 -6.236 9.816 673 HE ARG 85 HE ARG 85 -11.591 -4.033 8.185 674 HH11 ARG 85 HH11 ARG 85 -8.968 -6.116 9.636 675 HH12 ARG 85 HH12 ARG 85 -7.951 -4.817 9.925 676 HH21 ARG 85 HH22 ARG 85 -10.203 -2.340 8.657 677 HH22 ARG 85 HH21 ARG 85 -8.659 -2.554 9.376 678 H VAL 86 H VAL 86 -12.106 -7.753 6.021 679 HA VAL 86 HA VAL 86 -14.755 -6.631 6.081 680 HB VAL 86 HB VAL 86 -12.729 -6.380 3.858 681 HG11 VAL 86 HG11 VAL 86 -15.419 -5.080 4.264 682 HG12 VAL 86 HG12 VAL 86 -14.714 -5.650 2.753 683 HG13 VAL 86 HG13 VAL 86 -14.133 -4.153 3.493 684 HG21 VAL 86 HG21 VAL 86 -12.416 -4.118 4.904 685 HG22 VAL 86 HG22 VAL 86 -11.918 -5.511 5.859 686 HG23 VAL 86 HG23 VAL 86 -13.434 -4.697 6.238 687 H LEU 87 H LEU 87 -13.405 -9.194 4.163 688 HA LEU 87 HA LEU 87 -15.508 -9.741 2.350 689 HB2 LEU 87 HB3 LEU 87 -13.121 -10.538 2.334 690 HB3 LEU 87 HB2 LEU 87 -13.434 -11.483 3.743 691 HG LEU 87 HG LEU 87 -13.116 -12.825 1.864 692 HD11 LEU 87 HD11 LEU 87 -14.726 -14.361 2.139 693 HD12 LEU 87 HD12 LEU 87 -16.042 -13.164 2.124 694 HD13 LEU 87 HD13 LEU 87 -15.006 -13.330 3.546 695 HD21 LEU 87 HD21 LEU 87 -14.437 -12.776 -0.155 696 HD22 LEU 87 HD22 LEU 87 -13.672 -11.219 0.165 697 HD23 LEU 87 HD23 LEU 87 -15.401 -11.423 0.476 698 H LYS 88 H LYS 88 -14.614 -10.980 5.498 699 HA LYS 88 HA LYS 88 -16.780 -12.650 6.041 700 HB2 LYS 88 HB3 LYS 88 -14.613 -12.733 7.276 701 HB3 LYS 88 HB2 LYS 88 -15.045 -11.233 8.104 702 HG2 LYS 88 HG3 LYS 88 -15.368 -13.120 9.575 703 HG3 LYS 88 HG2 LYS 88 -16.928 -12.424 9.154 704 HD2 LYS 88 HD3 LYS 88 -17.318 -14.189 7.541 705 HD3 LYS 88 HD2 LYS 88 -15.711 -14.867 7.862 706 HE2 LYS 88 HE3 LYS 88 -16.402 -15.239 10.225 707 HE3 LYS 88 HE2 LYS 88 -17.994 -14.622 9.826 708 HZ1 LYS 88 HZ1 LYS 88 -17.621 -17.118 9.868 709 HZ2 LYS 88 HZ2 LYS 88 -16.911 -16.956 8.357 710 HZ3 LYS 88 HZ3 LYS 88 -18.520 -16.499 8.610 711 H ILE 89 H ILE 89 -16.472 -9.187 6.517 712 HA ILE 89 HA ILE 89 -18.714 -8.808 8.206 713 HB ILE 89 HB ILE 89 -16.981 -7.087 6.483 714 HG12 ILE 89 HG13 ILE 89 -17.273 -7.233 9.487 715 HG13 ILE 89 HG12 ILE 89 -15.932 -7.856 8.526 716 HG21 ILE 89 HG21 ILE 89 -19.268 -6.058 8.095 717 HG22 ILE 89 HG22 ILE 89 -19.071 -6.162 6.322 718 HG23 ILE 89 HG23 ILE 89 -18.006 -5.097 7.266 719 HD11 ILE 89 HD11 ILE 89 -16.508 -5.004 8.186 720 HD12 ILE 89 HD12 ILE 89 -14.972 -5.848 8.321 721 HD13 ILE 89 HD13 ILE 89 -15.910 -5.480 9.778 722 H SER 90 H SER 90 -18.012 -8.532 4.768 723 HA SER 90 HA SER 90 -20.656 -7.605 4.127 724 HB2 SER 90 HB3 SER 90 -18.367 -8.449 2.391 725 HB3 SER 90 HB2 SER 90 -19.798 -7.529 1.872 726 HG SER 90 HG SER 90 -17.636 -6.764 3.465 Start of MODEL 17 1 H1 MET 1 H MET 1 -15.697 1.237 0.098 2 H2 MET 1 H2 MET 1 -15.048 0.405 1.397 3 H3 MET 1 H3 MET 1 -16.140 1.640 1.667 4 HA MET 1 HA MET 1 -13.393 1.828 0.581 5 HB2 MET 1 HB3 MET 1 -15.403 4.049 0.844 6 HB3 MET 1 HB2 MET 1 -13.689 4.320 0.565 7 HG2 MET 1 HG3 MET 1 -13.866 3.068 -1.536 8 HG3 MET 1 HG2 MET 1 -15.595 2.881 -1.264 9 HE1 MET 1 HE1 MET 1 -16.545 6.741 -1.023 10 HE2 MET 1 HE2 MET 1 -16.506 5.302 -0.024 11 HE3 MET 1 HE3 MET 1 -17.391 5.284 -1.544 12 H ALA 2 H ALA 2 -15.418 2.741 3.206 13 HA ALA 2 HA ALA 2 -13.354 4.092 4.608 14 HB1 ALA 2 HB1 ALA 2 -15.254 4.646 5.810 15 HB2 ALA 2 HB2 ALA 2 -14.852 3.201 6.752 16 HB3 ALA 2 HB3 ALA 2 -16.002 3.099 5.429 17 H GLU 3 H GLU 3 -14.379 0.923 5.474 18 HA GLU 3 HA GLU 3 -12.423 0.170 7.104 19 HB2 GLU 3 HB3 GLU 3 -13.519 -1.532 4.843 20 HB3 GLU 3 HB2 GLU 3 -12.741 -2.176 6.301 21 HG2 GLU 3 HG3 GLU 3 -14.420 -1.469 7.661 22 HG3 GLU 3 HG2 GLU 3 -15.139 -0.364 6.494 23 H TYR 4 H TYR 4 -12.303 0.084 3.900 24 HA TYR 4 HA TYR 4 -9.571 -0.724 3.381 25 HB2 TYR 4 HB3 TYR 4 -11.129 -0.658 1.460 26 HB3 TYR 4 HB2 TYR 4 -11.029 1.111 1.385 27 HD1 TYR 4 HD1 TYR 4 -8.576 -1.684 1.673 28 HD2 TYR 4 HD2 TYR 4 -9.763 1.750 -0.566 29 HE1 TYR 4 HE1 TYR 4 -6.709 -2.042 0.134 30 HE2 TYR 4 HE2 TYR 4 -7.900 1.396 -2.080 31 HH TYR 4 HH TYR 4 -6.469 -0.456 -2.838 32 H GLY 5 H GLY 5 -11.019 2.347 3.577 33 HA2 GLY 5 HA3 GLY 5 -8.921 4.217 3.362 34 HA3 GLY 5 HA2 GLY 5 -10.306 4.487 4.410 35 H THR 6 H THR 6 -10.037 2.643 6.421 36 HA THR 6 HA THR 6 -7.991 3.654 8.088 37 HB THR 6 HB THR 6 -9.347 1.005 8.260 38 HG1 THR 6 HG1 THR 6 -10.446 3.626 8.763 39 HG21 THR 6 HG21 THR 6 -8.649 0.979 10.350 40 HG22 THR 6 HG22 THR 6 -9.096 2.687 10.623 41 HG23 THR 6 HG23 THR 6 -7.585 2.289 9.777 42 H LEU 7 H LEU 7 -8.433 0.812 6.366 43 HA LEU 7 HA LEU 7 -6.223 -0.736 6.990 44 HB2 LEU 7 HB3 LEU 7 -7.711 -1.653 5.357 45 HB3 LEU 7 HB2 LEU 7 -7.262 -0.437 4.174 46 HG LEU 7 HG LEU 7 -4.976 -1.377 4.187 47 HD11 LEU 7 HD11 LEU 7 -4.491 -2.589 5.921 48 HD12 LEU 7 HD12 LEU 7 -5.230 -3.919 5.012 49 HD13 LEU 7 HD13 LEU 7 -6.167 -3.019 6.214 50 HD21 LEU 7 HD21 LEU 7 -5.499 -2.681 2.426 51 HD22 LEU 7 HD22 LEU 7 -7.125 -2.075 2.717 52 HD23 LEU 7 HD23 LEU 7 -6.653 -3.648 3.341 53 H LEU 8 H LEU 8 -6.238 1.415 4.444 54 HA LEU 8 HA LEU 8 -3.440 1.556 3.765 55 HB2 LEU 8 HB3 LEU 8 -5.422 3.836 3.426 56 HB3 LEU 8 HB2 LEU 8 -3.711 3.895 2.995 57 HG LEU 8 HG LEU 8 -3.990 2.341 1.218 58 HD11 LEU 8 HD11 LEU 8 -5.748 0.979 2.520 59 HD12 LEU 8 HD12 LEU 8 -5.830 1.025 0.765 60 HD13 LEU 8 HD13 LEU 8 -6.911 2.041 1.728 61 HD21 LEU 8 HD21 LEU 8 -5.685 4.681 1.404 62 HD22 LEU 8 HD22 LEU 8 -6.215 3.523 0.172 63 HD23 LEU 8 HD23 LEU 8 -4.574 4.144 0.127 64 H GLN 9 H GLN 9 -5.282 3.290 6.074 65 HA GLN 9 HA GLN 9 -3.252 4.944 7.058 66 HB2 GLN 9 HB3 GLN 9 -5.324 5.876 7.070 67 HB3 GLN 9 HB2 GLN 9 -6.085 4.376 7.572 68 HG2 GLN 9 HG3 GLN 9 -5.770 4.651 9.553 69 HG3 GLN 9 HG2 GLN 9 -4.270 5.663 9.510 70 HE21 GLN 9 HE22 GLN 9 -4.602 7.740 9.676 71 HE22 GLN 9 HE21 GLN 9 -6.126 8.580 9.740 72 H ASP 10 H ASP 10 -4.207 2.078 7.791 73 HA ASP 10 HA ASP 10 -3.008 1.955 10.428 74 HB2 ASP 10 HB3 ASP 10 -4.671 -0.245 9.312 75 HB3 ASP 10 HB2 ASP 10 -3.475 -0.606 10.559 76 H LEU 11 H LEU 11 -2.164 0.894 7.266 77 HA LEU 11 HA LEU 11 0.192 -0.221 8.317 78 HB2 LEU 11 HB3 LEU 11 0.829 -0.669 6.028 79 HB3 LEU 11 HB2 LEU 11 -0.719 -1.408 6.443 80 HG LEU 11 HG LEU 11 -1.630 0.694 5.229 81 HD11 LEU 11 HD11 LEU 11 1.031 1.155 5.125 82 HD12 LEU 11 HD12 LEU 11 -0.201 2.006 4.196 83 HD13 LEU 11 HD13 LEU 11 0.668 0.629 3.486 84 HD21 LEU 11 HD21 LEU 11 -1.054 -0.735 2.985 85 HD22 LEU 11 HD22 LEU 11 -2.253 -1.221 4.178 86 HD23 LEU 11 HD23 LEU 11 -0.681 -1.929 4.253 87 H THR 12 H THR 12 -0.995 2.608 7.073 88 HA THR 12 HA THR 12 1.368 4.116 6.579 89 HB THR 12 HB THR 12 -1.481 4.805 7.077 90 HG1 THR 12 HG1 THR 12 -1.183 4.047 5.134 91 HG21 THR 12 HG21 THR 12 -0.296 6.941 5.876 92 HG22 THR 12 HG22 THR 12 0.692 6.603 7.332 93 HG23 THR 12 HG23 THR 12 -1.083 6.859 7.487 94 H ASN 13 H ASN 13 -0.554 3.564 9.487 95 HA ASN 13 HA ASN 13 0.866 5.339 11.189 96 HB2 ASN 13 HB3 ASN 13 -0.590 2.769 11.984 97 HB3 ASN 13 HB2 ASN 13 0.069 3.959 13.084 98 HD21 ASN 13 HD22 ASN 13 -2.752 2.892 11.921 99 HD22 ASN 13 HD21 ASN 13 -3.663 4.329 11.956 100 H ASN 14 H ASN 14 1.374 2.063 10.136 101 HA ASN 14 HA ASN 14 3.750 1.816 11.825 102 HB2 ASN 14 HB3 ASN 14 2.396 -0.226 10.020 103 HB3 ASN 14 HB2 ASN 14 3.803 -0.521 11.017 104 HD21 ASN 14 HD22 ASN 14 0.461 -0.643 10.979 105 HD22 ASN 14 HD21 ASN 14 0.229 -0.791 12.675 106 H ILE 15 H ILE 15 3.253 3.292 9.078 107 HA ILE 15 HA ILE 15 5.435 2.224 7.575 108 HB ILE 15 HB ILE 15 3.230 4.056 6.984 109 HG12 ILE 15 HG13 ILE 15 3.344 1.746 6.197 110 HG13 ILE 15 HG12 ILE 15 3.188 2.886 4.873 111 HG21 ILE 15 HG21 ILE 15 4.217 5.696 6.037 112 HG22 ILE 15 HG22 ILE 15 4.849 4.551 4.838 113 HG23 ILE 15 HG23 ILE 15 5.815 4.962 6.262 114 HD11 ILE 15 HD11 ILE 15 5.696 1.414 5.715 115 HD12 ILE 15 HD12 ILE 15 5.693 2.774 4.605 116 HD13 ILE 15 HD13 ILE 15 4.830 1.321 4.170 117 H THR 16 H THR 16 7.479 2.715 7.914 118 HA THR 16 HA THR 16 8.138 5.270 9.017 119 HB THR 16 HB THR 16 10.393 4.419 9.204 120 HG1 THR 16 HG1 THR 16 9.601 1.821 8.581 121 HG21 THR 16 HG21 THR 16 10.091 2.924 10.889 122 HG22 THR 16 HG22 THR 16 8.560 2.370 10.145 123 HG23 THR 16 HG23 THR 16 8.670 4.017 10.861 124 H LEU 17 H LEU 17 9.552 6.399 8.020 125 HA LEU 17 HA LEU 17 9.410 6.853 5.241 126 HB2 LEU 17 HB3 LEU 17 11.671 7.568 7.015 127 HB3 LEU 17 HB2 LEU 17 11.735 7.922 5.295 128 HG LEU 17 HG LEU 17 11.048 9.824 6.332 129 HD11 LEU 17 HD11 LEU 17 9.818 8.766 4.305 130 HD12 LEU 17 HD12 LEU 17 9.404 10.374 4.909 131 HD13 LEU 17 HD13 LEU 17 8.411 8.983 5.342 132 HD21 LEU 17 HD21 LEU 17 8.652 9.714 7.529 133 HD22 LEU 17 HD22 LEU 17 10.153 9.538 8.429 134 HD23 LEU 17 HD23 LEU 17 9.236 8.102 7.933 135 H GLU 18 H GLU 18 11.778 5.079 7.004 136 HA GLU 18 HA GLU 18 13.279 4.055 4.888 137 HB2 GLU 18 HB3 GLU 18 12.741 2.771 7.580 138 HB3 GLU 18 HB2 GLU 18 14.107 2.401 6.546 139 HG2 GLU 18 HG3 GLU 18 14.934 4.659 6.724 140 HG3 GLU 18 HG2 GLU 18 13.551 5.133 7.695 141 H ASP 19 H ASP 19 10.711 2.598 6.531 142 HA ASP 19 HA ASP 19 10.294 0.222 4.964 143 HB2 ASP 19 HB3 ASP 19 8.284 1.866 6.535 144 HB3 ASP 19 HB2 ASP 19 7.800 0.392 5.662 145 H LEU 20 H LEU 20 8.552 3.277 4.555 146 HA LEU 20 HA LEU 20 7.563 2.647 2.173 147 HB2 LEU 20 HB3 LEU 20 8.335 5.226 3.189 148 HB3 LEU 20 HB2 LEU 20 7.885 5.119 1.484 149 HG LEU 20 HG LEU 20 6.142 4.337 3.829 150 HD11 LEU 20 HD11 LEU 20 4.954 6.240 2.231 151 HD12 LEU 20 HD12 LEU 20 6.636 6.752 2.325 152 HD13 LEU 20 HD13 LEU 20 5.708 6.503 3.806 153 HD21 LEU 20 HD21 LEU 20 4.804 3.216 2.366 154 HD22 LEU 20 HD22 LEU 20 6.142 3.304 1.236 155 HD23 LEU 20 HD23 LEU 20 4.885 4.537 1.204 156 H GLU 21 H GLU 21 10.696 3.972 2.637 157 HA GLU 21 HA GLU 21 11.329 4.147 -0.102 158 HB2 GLU 21 HB3 GLU 21 13.251 3.677 2.167 159 HB3 GLU 21 HB2 GLU 21 13.740 3.950 0.516 160 HG2 GLU 21 HG3 GLU 21 12.647 6.221 0.644 161 HG3 GLU 21 HG2 GLU 21 12.348 5.912 2.350 162 H GLN 22 H GLN 22 11.507 1.668 2.134 163 HA GLN 22 HA GLN 22 12.805 -0.219 0.438 164 HB2 GLN 22 HB3 GLN 22 12.789 -0.534 2.898 165 HB3 GLN 22 HB2 GLN 22 11.061 -0.900 2.813 166 HG2 GLN 22 HG3 GLN 22 12.204 -3.012 2.882 167 HG3 GLN 22 HG2 GLN 22 11.624 -2.646 1.239 168 HE21 GLN 22 HE22 GLN 22 12.715 -3.197 -0.123 169 HE22 GLN 22 HE21 GLN 22 14.459 -3.219 -0.261 170 H LEU 23 H LEU 23 9.282 0.279 1.172 171 HA LEU 23 HA LEU 23 8.364 -1.626 -0.526 172 HB2 LEU 23 HB3 LEU 23 7.284 1.089 0.257 173 HB3 LEU 23 HB2 LEU 23 6.340 -0.165 -0.551 174 HG LEU 23 HG LEU 23 7.560 -0.320 2.183 175 HD11 LEU 23 HD11 LEU 23 5.772 1.293 2.051 176 HD12 LEU 23 HD12 LEU 23 5.249 -0.137 2.945 177 HD13 LEU 23 HD13 LEU 23 4.732 0.099 1.264 178 HD21 LEU 23 HD21 LEU 23 6.746 -2.388 0.508 179 HD22 LEU 23 HD22 LEU 23 5.409 -2.146 1.639 180 HD23 LEU 23 HD23 LEU 23 7.032 -2.483 2.238 181 H LYS 24 H LYS 24 9.218 1.523 -0.913 182 HA LYS 24 HA LYS 24 8.595 1.995 -3.715 183 HB2 LYS 24 HB3 LYS 24 10.789 3.440 -2.203 184 HB3 LYS 24 HB2 LYS 24 10.278 3.869 -3.814 185 HG2 LYS 24 HG3 LYS 24 8.542 4.069 -1.329 186 HG3 LYS 24 HG2 LYS 24 9.372 5.406 -2.104 187 HD2 LYS 24 HD3 LYS 24 7.073 5.481 -2.713 188 HD3 LYS 24 HD2 LYS 24 7.970 4.925 -4.107 189 HE2 LYS 24 HE3 LYS 24 5.911 3.679 -3.807 190 HE3 LYS 24 HE2 LYS 24 7.307 2.614 -3.585 191 HZ1 LYS 24 HZ1 LYS 24 5.389 3.598 -1.640 192 HZ2 LYS 24 HZ2 LYS 24 6.981 3.351 -1.105 193 HZ3 LYS 24 HZ3 LYS 24 6.064 2.066 -1.771 194 H SER 25 H SER 25 11.187 1.125 -2.316 195 HA SER 25 HA SER 25 13.077 0.508 -4.376 196 HB2 SER 25 HB3 SER 25 13.032 -1.039 -1.716 197 HB3 SER 25 HB2 SER 25 14.334 -1.161 -2.904 198 HG SER 25 HG SER 25 13.474 1.116 -1.475 199 H ALA 26 H ALA 26 10.941 -1.520 -2.901 200 HA ALA 26 HA ALA 26 10.996 -3.660 -4.822 201 HB1 ALA 26 HB1 ALA 26 9.605 -4.671 -3.333 202 HB2 ALA 26 HB2 ALA 26 8.350 -3.505 -3.723 203 HB3 ALA 26 HB3 ALA 26 9.525 -3.141 -2.458 204 H CYS 27 H CYS 27 8.806 -0.822 -4.482 205 HA CYS 27 HA CYS 27 7.386 -1.346 -6.809 206 HB2 CYS 27 HB3 CYS 27 7.753 1.243 -5.379 207 HB3 CYS 27 HB2 CYS 27 6.539 0.821 -6.582 208 HG CYS 27 HG CYS 27 6.585 -1.156 -3.901 209 H LYS 28 H LYS 28 10.575 -0.342 -6.759 210 HA LYS 28 HA LYS 28 10.629 2.020 -8.000 211 HB2 LYS 28 HB3 LYS 28 12.935 1.518 -8.693 212 HB3 LYS 28 HB2 LYS 28 12.556 0.843 -7.117 213 HG2 LYS 28 HG3 LYS 28 12.397 -1.327 -7.946 214 HG3 LYS 28 HG2 LYS 28 12.541 -0.769 -9.625 215 HD2 LYS 28 HD3 LYS 28 14.797 0.117 -9.097 216 HD3 LYS 28 HD2 LYS 28 14.613 -0.493 -7.459 217 HE2 LYS 28 HE3 LYS 28 14.584 -2.765 -8.244 218 HE3 LYS 28 HE2 LYS 28 14.554 -2.241 -9.923 219 HZ1 LYS 28 HZ1 LYS 28 16.682 -1.395 -9.788 220 HZ2 LYS 28 HZ2 LYS 28 16.850 -2.879 -9.007 221 HZ3 LYS 28 HZ3 LYS 28 16.752 -1.440 -8.114 222 H GLU 29 H GLU 29 10.130 -1.017 -9.550 223 HA GLU 29 HA GLU 29 10.286 0.007 -12.163 224 HB2 GLU 29 HB3 GLU 29 9.061 -2.538 -11.180 225 HB3 GLU 29 HB2 GLU 29 9.385 -2.168 -12.878 226 HG2 GLU 29 HG3 GLU 29 11.409 -2.237 -10.719 227 HG3 GLU 29 HG2 GLU 29 11.171 -3.609 -11.827 228 H ASP 30 H ASP 30 7.641 -0.506 -9.883 229 HA ASP 30 HA ASP 30 5.618 0.158 -11.809 230 HB2 ASP 30 HB3 ASP 30 5.528 -0.967 -9.110 231 HB3 ASP 30 HB2 ASP 30 4.151 0.000 -9.595 232 H ILE 31 H ILE 31 6.848 1.804 -8.941 233 HA ILE 31 HA ILE 31 4.979 3.881 -9.708 234 HB ILE 31 HB ILE 31 4.956 2.927 -7.337 235 HG12 ILE 31 HG13 ILE 31 4.000 5.209 -7.731 236 HG13 ILE 31 HG12 ILE 31 4.629 4.967 -6.110 237 HG21 ILE 31 HG21 ILE 31 6.541 3.675 -5.748 238 HG22 ILE 31 HG22 ILE 31 7.509 4.401 -7.041 239 HG23 ILE 31 HG23 ILE 31 7.257 2.629 -6.991 240 HD11 ILE 31 HD11 ILE 31 6.290 6.422 -6.410 241 HD12 ILE 31 HD12 ILE 31 5.068 7.174 -7.441 242 HD13 ILE 31 HD13 ILE 31 6.350 6.173 -8.179 243 HA PRO 32 HA PRO 32 8.194 5.694 -11.736 244 HB2 PRO 32 HB2 PRO 32 6.915 8.342 -11.281 245 HB3 PRO 32 HB3 PRO 32 7.414 7.577 -12.800 246 HG2 PRO 32 HG3 PRO 32 4.858 7.633 -12.069 247 HG3 PRO 32 HG2 PRO 32 5.553 6.212 -12.881 248 HD2 PRO 32 HD3 PRO 32 4.931 6.651 -10.002 249 HD3 PRO 32 HD2 PRO 32 4.707 5.185 -10.987 250 H SER 33 H SER 33 9.977 6.638 -11.535 251 HA SER 33 HA SER 33 11.430 7.024 -9.110 252 HB2 SER 33 HB3 SER 33 12.673 6.783 -11.278 253 HB3 SER 33 HB2 SER 33 12.149 8.395 -11.741 254 HG SER 33 HG SER 33 13.340 8.931 -9.566 255 H GLU 34 H GLU 34 10.266 9.365 -11.208 256 HA GLU 34 HA GLU 34 10.434 11.938 -10.183 257 HB2 GLU 34 HB3 GLU 34 9.172 11.282 -12.216 258 HB3 GLU 34 HB2 GLU 34 7.875 10.669 -11.205 259 HG2 GLU 34 HG3 GLU 34 7.104 12.743 -11.945 260 HG3 GLU 34 HG2 GLU 34 7.724 12.980 -10.306 261 H LYS 35 H LYS 35 8.090 9.771 -9.553 262 HA LYS 35 HA LYS 35 6.967 11.171 -7.335 263 HB2 LYS 35 HB3 LYS 35 6.028 8.686 -8.666 264 HB3 LYS 35 HB2 LYS 35 5.143 9.482 -7.353 265 HG2 LYS 35 HG3 LYS 35 5.963 10.765 -9.946 266 HG3 LYS 35 HG2 LYS 35 4.339 10.152 -9.592 267 HD2 LYS 35 HD3 LYS 35 4.263 11.588 -7.650 268 HD3 LYS 35 HD2 LYS 35 5.834 12.256 -8.023 269 HE2 LYS 35 HE3 LYS 35 4.954 13.197 -10.101 270 HE3 LYS 35 HE2 LYS 35 3.337 12.559 -9.648 271 HZ1 LYS 35 HZ1 LYS 35 4.907 14.749 -8.403 272 HZ2 LYS 35 HZ2 LYS 35 3.883 13.837 -7.465 273 HZ3 LYS 35 HZ3 LYS 35 3.271 14.764 -8.759 274 H SER 36 H SER 36 8.368 7.915 -7.386 275 HA SER 36 HA SER 36 8.061 7.192 -4.829 276 HB2 SER 36 HB3 SER 36 8.921 5.833 -6.489 277 HB3 SER 36 HB2 SER 36 10.364 6.818 -6.747 278 HG SER 36 HG SER 36 11.244 5.663 -5.344 279 H GLU 37 H GLU 37 10.154 9.312 -5.980 280 HA GLU 37 HA GLU 37 11.803 9.848 -3.637 281 HB2 GLU 37 HB3 GLU 37 11.602 11.619 -6.089 282 HB3 GLU 37 HB2 GLU 37 12.706 11.935 -4.744 283 HG2 GLU 37 HG3 GLU 37 13.800 9.792 -5.108 284 HG3 GLU 37 HG2 GLU 37 12.663 9.407 -6.389 285 H GLU 38 H GLU 38 9.116 11.328 -4.734 286 HA GLU 38 HA GLU 38 8.916 13.276 -2.530 287 HB2 GLU 38 HB3 GLU 38 6.779 14.198 -3.237 288 HB3 GLU 38 HB2 GLU 38 7.827 14.012 -4.619 289 HG2 GLU 38 HG3 GLU 38 6.605 12.062 -5.340 290 HG3 GLU 38 HG2 GLU 38 5.612 12.114 -3.898 291 H ILE 39 H ILE 39 8.080 10.150 -2.612 292 HA ILE 39 HA ILE 39 5.765 10.213 -0.969 293 HB ILE 39 HB ILE 39 7.460 7.886 -1.904 294 HG12 ILE 39 HG13 ILE 39 4.741 8.882 -2.783 295 HG13 ILE 39 HG12 ILE 39 6.260 9.212 -3.621 296 HG21 ILE 39 HG21 ILE 39 4.753 7.802 -0.565 297 HG22 ILE 39 HG22 ILE 39 6.278 7.297 0.165 298 HG23 ILE 39 HG23 ILE 39 5.653 6.422 -1.226 299 HD11 ILE 39 HD11 ILE 39 4.656 7.402 -4.360 300 HD12 ILE 39 HD12 ILE 39 5.381 6.432 -3.066 301 HD13 ILE 39 HD13 ILE 39 6.405 7.077 -4.356 302 H THR 40 H THR 40 7.090 11.569 0.487 303 HA THR 40 HA THR 40 8.519 10.109 2.565 304 HB THR 40 HB THR 40 9.462 12.187 1.915 305 HG1 THR 40 HG1 THR 40 8.328 12.206 4.474 306 HG21 THR 40 HG21 THR 40 8.189 14.364 2.171 307 HG22 THR 40 HG22 THR 40 6.744 13.367 2.450 308 HG23 THR 40 HG23 THR 40 7.600 13.248 0.927 309 H THR 41 H THR 41 5.615 9.659 2.218 310 HA THR 41 HA THR 41 5.084 9.300 4.832 311 HB THR 41 HB THR 41 4.393 11.424 5.118 312 HG1 THR 41 HG1 THR 41 2.280 11.236 5.853 313 HG21 THR 41 HG21 THR 41 2.556 11.210 2.771 314 HG22 THR 41 HG22 THR 41 3.966 12.261 2.929 315 HG23 THR 41 HG23 THR 41 2.518 12.572 3.901 316 H GLY 42 H GLY 42 3.345 7.964 5.287 317 HA2 GLY 42 HA3 GLY 42 3.172 5.986 3.259 318 HA3 GLY 42 HA2 GLY 42 2.165 5.974 4.718 319 H SER 43 H SER 43 0.526 8.175 4.481 320 HA SER 43 HA SER 43 -1.345 7.635 2.717 321 HB2 SER 43 HB3 SER 43 -0.470 10.302 3.851 322 HB3 SER 43 HB2 SER 43 -2.082 9.900 3.249 323 HG SER 43 HG SER 43 -2.445 9.343 5.208 324 H ALA 44 H ALA 44 1.388 9.644 2.336 325 HA ALA 44 HA ALA 44 0.841 11.027 -0.096 326 HB1 ALA 44 HB1 ALA 44 3.550 10.349 -0.413 327 HB2 ALA 44 HB2 ALA 44 3.300 10.569 1.327 328 HB3 ALA 44 HB3 ALA 44 2.908 11.864 0.210 329 H TRP 45 H TRP 45 2.442 7.888 0.225 330 HA TRP 45 HA TRP 45 2.522 7.379 -2.549 331 HB2 TRP 45 HB3 TRP 45 3.808 6.107 -0.777 332 HB3 TRP 45 HB2 TRP 45 2.304 5.360 -0.297 333 HD1 TRP 45 HD1 TRP 45 3.783 5.685 -3.936 334 HE1 TRP 45 HE1 TRP 45 3.823 3.261 -4.879 335 HE3 TRP 45 HE3 TRP 45 2.255 3.083 0.166 336 HZ2 TRP 45 HZ2 TRP 45 3.403 0.730 -4.067 337 HZ3 TRP 45 HZ3 TRP 45 2.149 0.641 0.024 338 HH2 TRP 45 HH2 TRP 45 2.724 -0.505 -2.087 339 H PHE 46 H PHE 46 0.163 6.284 -0.182 340 HA PHE 46 HA PHE 46 -1.374 5.048 -2.127 341 HB2 PHE 46 HB3 PHE 46 -2.466 6.402 0.317 342 HB3 PHE 46 HB2 PHE 46 -3.404 5.333 -0.708 343 HD1 PHE 46 HD1 PHE 46 -2.238 3.062 -1.196 344 HD2 PHE 46 HD2 PHE 46 -1.541 5.504 2.213 345 HE1 PHE 46 HE1 PHE 46 -1.609 1.090 0.056 346 HE2 PHE 46 HE2 PHE 46 -0.921 3.552 3.516 347 HZ PHE 46 HZ PHE 46 -0.958 1.280 2.397 348 H SER 47 H SER 47 -1.778 8.122 -0.864 349 HA SER 47 HA SER 47 -3.835 9.137 -2.575 350 HB2 SER 47 HB3 SER 47 -1.737 10.854 -1.208 351 HB3 SER 47 HB2 SER 47 -3.218 11.459 -1.949 352 HG SER 47 HG SER 47 -4.354 10.140 -0.420 353 H PHE 48 H PHE 48 -0.430 9.018 -3.239 354 HA PHE 48 HA PHE 48 -0.570 10.538 -5.685 355 HB2 PHE 48 HB3 PHE 48 1.615 10.152 -4.704 356 HB3 PHE 48 HB2 PHE 48 1.306 8.426 -4.627 357 HD1 PHE 48 HD1 PHE 48 1.148 11.097 -7.193 358 HD2 PHE 48 HD2 PHE 48 2.293 7.170 -6.160 359 HE1 PHE 48 HE1 PHE 48 1.858 10.715 -9.498 360 HE2 PHE 48 HE2 PHE 48 3.072 6.763 -8.471 361 HZ PHE 48 HZ PHE 48 2.855 8.537 -10.136 362 H LEU 49 H LEU 49 -0.363 7.081 -4.834 363 HA LEU 49 HA LEU 49 -0.533 5.953 -7.216 364 HB2 LEU 49 HB3 LEU 49 -0.158 5.280 -4.791 365 HB3 LEU 49 HB2 LEU 49 -1.881 4.894 -4.821 366 HG LEU 49 HG LEU 49 -1.381 3.164 -6.597 367 HD11 LEU 49 HD11 LEU 49 0.842 4.751 -6.914 368 HD12 LEU 49 HD12 LEU 49 0.635 3.171 -7.634 369 HD13 LEU 49 HD13 LEU 49 1.492 3.345 -6.077 370 HD21 LEU 49 HD21 LEU 49 -0.984 2.960 -3.902 371 HD22 LEU 49 HD22 LEU 49 0.616 2.551 -4.508 372 HD23 LEU 49 HD23 LEU 49 -0.767 1.623 -5.030 373 H GLU 50 H GLU 50 -3.057 6.310 -4.933 374 HA GLU 50 HA GLU 50 -5.490 5.660 -6.174 375 HB2 GLU 50 HB3 GLU 50 -5.289 8.170 -4.494 376 HB3 GLU 50 HB2 GLU 50 -6.762 7.305 -4.857 377 HG2 GLU 50 HG3 GLU 50 -6.030 5.465 -3.467 378 HG3 GLU 50 HG2 GLU 50 -4.507 6.316 -3.148 379 H SER 51 H SER 51 -4.076 8.468 -6.125 380 HA SER 51 HA SER 51 -5.682 10.060 -7.910 381 HB2 SER 51 HB3 SER 51 -2.729 10.620 -7.478 382 HB3 SER 51 HB2 SER 51 -3.827 11.696 -8.360 383 HG SER 51 HG SER 51 -3.820 10.965 -5.649 384 H HIS 52 H HIS 52 -3.120 7.829 -8.631 385 HA HIS 52 HA HIS 52 -3.839 8.188 -11.455 386 HB2 HIS 52 HB3 HIS 52 -1.381 6.938 -10.300 387 HB3 HIS 52 HB2 HIS 52 -1.721 6.841 -12.059 388 HD1 HIS 52 HD1 HIS 52 0.364 8.208 -12.693 389 HD2 HIS 52 HD2 HIS 52 -1.920 9.807 -9.724 390 HE1 HIS 52 HE1 HIS 52 1.419 10.470 -12.280 391 H ASN 53 H ASN 53 -3.224 5.733 -12.517 392 HA ASN 53 HA ASN 53 -5.517 4.286 -11.464 393 HB2 ASN 53 HB3 ASN 53 -5.318 4.978 -13.893 394 HB3 ASN 53 HB2 ASN 53 -4.015 3.821 -14.051 395 HD21 ASN 53 HD22 ASN 53 -7.197 4.366 -14.569 396 HD22 ASN 53 HD21 ASN 53 -7.791 2.740 -14.654 397 H LYS 54 H LYS 54 -3.322 4.010 -9.791 398 HA LYS 54 HA LYS 54 -2.529 1.271 -10.428 399 HB2 LYS 54 HB3 LYS 54 -1.061 2.998 -8.442 400 HB3 LYS 54 HB2 LYS 54 -0.684 1.358 -8.926 401 HG2 LYS 54 HG3 LYS 54 -0.485 3.836 -10.691 402 HG3 LYS 54 HG2 LYS 54 0.835 2.882 -9.997 403 HD2 LYS 54 HD3 LYS 54 -1.217 1.848 -11.929 404 HD3 LYS 54 HD2 LYS 54 0.346 2.480 -12.434 405 HE2 LYS 54 HE3 LYS 54 -0.051 0.072 -10.614 406 HE3 LYS 54 HE2 LYS 54 0.234 -0.050 -12.339 407 HZ1 LYS 54 HZ1 LYS 54 2.157 1.028 -10.290 408 HZ2 LYS 54 HZ2 LYS 54 2.378 1.079 -11.961 409 HZ3 LYS 54 HZ3 LYS 54 2.321 -0.396 -11.213 410 H LEU 55 H LEU 55 -4.543 3.005 -8.412 411 HA LEU 55 HA LEU 55 -5.153 0.568 -7.010 412 HB2 LEU 55 HB3 LEU 55 -3.188 1.181 -5.708 413 HB3 LEU 55 HB2 LEU 55 -3.792 2.791 -5.450 414 HG LEU 55 HG LEU 55 -5.112 0.329 -4.221 415 HD11 LEU 55 HD11 LEU 55 -3.882 1.430 -2.116 416 HD12 LEU 55 HD12 LEU 55 -2.770 2.018 -3.347 417 HD13 LEU 55 HD13 LEU 55 -3.039 0.277 -3.141 418 HD21 LEU 55 HD21 LEU 55 -5.078 3.017 -2.943 419 HD22 LEU 55 HD22 LEU 55 -6.313 1.764 -2.860 420 HD23 LEU 55 HD23 LEU 55 -6.193 2.766 -4.303 421 H ASP 56 H ASP 56 -7.057 0.532 -7.188 422 HA ASP 56 HA ASP 56 -8.978 2.632 -6.616 423 HB2 ASP 56 HB3 ASP 56 -9.427 -0.255 -7.228 424 HB3 ASP 56 HB2 ASP 56 -10.679 0.813 -6.632 425 H LYS 57 H LYS 57 -10.731 2.132 -5.373 426 HA LYS 57 HA LYS 57 -10.163 1.622 -2.662 427 HB2 LYS 57 HB3 LYS 57 -12.699 1.539 -2.466 428 HB3 LYS 57 HB2 LYS 57 -11.966 3.057 -2.961 429 HG2 LYS 57 HG3 LYS 57 -13.970 2.618 -4.249 430 HG3 LYS 57 HG2 LYS 57 -12.490 2.561 -5.235 431 HD2 LYS 57 HD3 LYS 57 -12.487 0.207 -5.129 432 HD3 LYS 57 HD2 LYS 57 -13.922 0.165 -4.155 433 HE2 LYS 57 HE3 LYS 57 -14.397 -0.344 -6.483 434 HE3 LYS 57 HE2 LYS 57 -15.262 1.128 -5.999 435 HZ1 LYS 57 HZ1 LYS 57 -14.127 2.318 -7.489 436 HZ2 LYS 57 HZ2 LYS 57 -13.837 0.837 -8.241 437 HZ3 LYS 57 HZ3 LYS 57 -12.648 1.570 -7.261 438 H ASP 58 H ASP 58 -10.869 -0.435 -5.345 439 HA ASP 58 HA ASP 58 -11.688 -2.698 -3.753 440 HB2 ASP 58 HB3 ASP 58 -12.987 -2.082 -5.745 441 HB3 ASP 58 HB2 ASP 58 -11.526 -2.200 -6.727 442 H ASN 59 H ASN 59 -9.371 -1.526 -5.960 443 HA ASN 59 HA ASN 59 -7.878 -3.980 -6.055 444 HB2 ASN 59 HB3 ASN 59 -7.454 -1.371 -7.501 445 HB3 ASN 59 HB2 ASN 59 -6.448 -2.814 -7.722 446 HD21 ASN 59 HD22 ASN 59 -9.326 -1.259 -8.663 447 HD22 ASN 59 HD21 ASN 59 -10.020 -2.603 -9.442 448 H LEU 60 H LEU 60 -6.422 -4.514 -5.035 449 HA LEU 60 HA LEU 60 -4.693 -2.693 -3.506 450 HB2 LEU 60 HB3 LEU 60 -4.685 -4.170 -1.577 451 HB3 LEU 60 HB2 LEU 60 -6.313 -3.676 -1.945 452 HG LEU 60 HG LEU 60 -5.126 -6.402 -2.506 453 HD11 LEU 60 HD11 LEU 60 -5.957 -7.114 -0.560 454 HD12 LEU 60 HD12 LEU 60 -7.429 -6.111 -0.703 455 HD13 LEU 60 HD13 LEU 60 -5.922 -5.398 -0.138 456 HD21 LEU 60 HD21 LEU 60 -7.958 -6.458 -2.571 457 HD22 LEU 60 HD22 LEU 60 -6.814 -6.779 -3.887 458 HD23 LEU 60 HD23 LEU 60 -7.409 -5.132 -3.607 459 H SER 61 H SER 61 -4.951 -5.441 -5.277 460 HA SER 61 HA SER 61 -2.998 -7.168 -4.765 461 HB2 SER 61 HB3 SER 61 -3.627 -6.366 -7.614 462 HB3 SER 61 HB2 SER 61 -3.000 -7.931 -7.088 463 HG SER 61 HG SER 61 -5.145 -8.226 -7.242 464 H TYR 62 H TYR 62 -2.464 -4.389 -6.489 465 HA TYR 62 HA TYR 62 0.317 -4.707 -7.146 466 HB2 TYR 62 HB3 TYR 62 -0.710 -2.966 -8.334 467 HB3 TYR 62 HB2 TYR 62 -1.376 -2.241 -6.872 468 HD1 TYR 62 HD2 TYR 62 2.121 -3.277 -7.427 469 HD2 TYR 62 HD1 TYR 62 -0.614 -0.116 -7.042 470 HE1 TYR 62 HE2 TYR 62 4.025 -1.688 -7.200 471 HE2 TYR 62 HE1 TYR 62 1.243 1.496 -6.876 472 HH TYR 62 HH TYR 62 4.599 0.404 -7.080 473 H ILE 63 H ILE 63 -1.201 -3.113 -4.409 474 HA ILE 63 HA ILE 63 1.329 -2.495 -3.206 475 HB ILE 63 HB ILE 63 0.184 -1.245 -1.601 476 HG12 ILE 63 HG13 ILE 63 -2.413 -2.572 -2.370 477 HG13 ILE 63 HG12 ILE 63 -1.459 -3.158 -1.008 478 HG21 ILE 63 HG21 ILE 63 0.013 -0.621 -3.983 479 HG22 ILE 63 HG22 ILE 63 -1.124 0.122 -2.804 480 HG23 ILE 63 HG23 ILE 63 -1.640 -1.236 -3.839 481 HD11 ILE 63 HD11 ILE 63 -1.445 -0.689 -0.397 482 HD12 ILE 63 HD12 ILE 63 -2.772 -1.734 0.108 483 HD13 ILE 63 HD13 ILE 63 -2.961 -0.632 -1.305 484 H GLU 64 H GLU 64 -0.943 -4.936 -3.110 485 HA GLU 64 HA GLU 64 -0.454 -6.146 -0.527 486 HB2 GLU 64 HB3 GLU 64 -2.436 -6.750 -1.956 487 HB3 GLU 64 HB2 GLU 64 -1.338 -7.407 -3.148 488 HG2 GLU 64 HG3 GLU 64 -0.573 -9.075 -1.474 489 HG3 GLU 64 HG2 GLU 64 -1.788 -8.438 -0.376 490 H HIS 65 H HIS 65 0.667 -6.955 -3.797 491 HA HIS 65 HA HIS 65 2.779 -8.640 -3.217 492 HB2 HIS 65 HB3 HIS 65 1.796 -8.029 -5.419 493 HB3 HIS 65 HB2 HIS 65 2.473 -6.424 -5.187 494 HD1 HIS 65 HD1 HIS 65 4.076 -9.934 -5.139 495 HD2 HIS 65 HD2 HIS 65 4.525 -6.063 -6.611 496 HE1 HIS 65 HE1 HIS 65 6.054 -10.065 -6.661 497 H ILE 66 H ILE 66 3.019 -5.271 -3.656 498 HA ILE 66 HA ILE 66 5.557 -4.954 -3.054 499 HB ILE 66 HB ILE 66 3.439 -3.129 -2.017 500 HG12 ILE 66 HG13 ILE 66 3.320 -3.690 -4.198 501 HG13 ILE 66 HG12 ILE 66 3.658 -1.930 -4.211 502 HG21 ILE 66 HG21 ILE 66 6.426 -2.580 -2.179 503 HG22 ILE 66 HG22 ILE 66 5.343 -2.368 -0.829 504 HG23 ILE 66 HG23 ILE 66 5.248 -1.276 -2.183 505 HD11 ILE 66 HD11 ILE 66 4.654 -3.763 -5.814 506 HD12 ILE 66 HD12 ILE 66 5.869 -3.899 -4.531 507 HD13 ILE 66 HD13 ILE 66 5.598 -2.333 -5.340 508 H PHE 67 H PHE 67 2.974 -5.106 -0.440 509 HA PHE 67 HA PHE 67 4.859 -4.850 1.457 510 HB2 PHE 67 HB3 PHE 67 2.073 -6.006 1.588 511 HB3 PHE 67 HB2 PHE 67 3.075 -5.588 2.983 512 HD1 PHE 67 HD2 PHE 67 4.085 -3.098 2.767 513 HD2 PHE 67 HD1 PHE 67 0.543 -4.547 1.006 514 HE1 PHE 67 HE2 PHE 67 3.296 -0.764 2.519 515 HE2 PHE 67 HE1 PHE 67 -0.289 -2.224 0.741 516 HZ PHE 67 HZ PHE 67 1.084 -0.340 1.490 517 H GLU 68 H GLU 68 3.859 -7.711 -0.523 518 HA GLU 68 HA GLU 68 4.563 -9.786 1.180 519 HB2 GLU 68 HB3 GLU 68 3.066 -9.941 -0.733 520 HB3 GLU 68 HB2 GLU 68 4.285 -9.284 -1.789 521 HG2 GLU 68 HG3 GLU 68 5.598 -11.332 -1.480 522 HG3 GLU 68 HG2 GLU 68 4.252 -11.999 -0.533 523 H ILE 69 H ILE 69 6.033 -8.462 -1.679 524 HA ILE 69 HA ILE 69 8.438 -9.727 -1.459 525 HB ILE 69 HB ILE 69 9.300 -8.321 -3.210 526 HG12 ILE 69 HG13 ILE 69 6.719 -6.774 -2.878 527 HG13 ILE 69 HG12 ILE 69 8.356 -6.181 -2.620 528 HG21 ILE 69 HG21 ILE 69 7.210 -10.105 -3.213 529 HG22 ILE 69 HG22 ILE 69 8.139 -9.575 -4.631 530 HG23 ILE 69 HG23 ILE 69 6.642 -8.738 -4.179 531 HD11 ILE 69 HD11 ILE 69 7.571 -7.379 -5.170 532 HD12 ILE 69 HD12 ILE 69 8.880 -6.252 -4.839 533 HD13 ILE 69 HD13 ILE 69 7.193 -5.662 -4.845 534 H SER 70 H SER 70 7.682 -6.528 -0.374 535 HA SER 70 HA SER 70 10.376 -5.961 0.408 536 HB2 SER 70 HB3 SER 70 8.944 -4.181 -0.541 537 HB3 SER 70 HB2 SER 70 7.788 -4.413 0.761 538 HG SER 70 HG SER 70 8.983 -3.273 2.026 539 H ARG 71 H ARG 71 10.939 -5.622 2.645 540 HA ARG 71 HA ARG 71 9.581 -7.477 4.243 541 HB2 ARG 71 HB3 ARG 71 12.117 -6.036 4.840 542 HB3 ARG 71 HB2 ARG 71 11.299 -7.027 6.036 543 HG2 ARG 71 HG3 ARG 71 12.275 -7.928 3.358 544 HG3 ARG 71 HG2 ARG 71 13.000 -8.315 4.931 545 HD2 ARG 71 HD3 ARG 71 10.810 -9.435 5.538 546 HD3 ARG 71 HD2 ARG 71 10.281 -9.163 3.878 547 HE ARG 71 HE ARG 71 11.879 -11.241 4.798 548 HH11 ARG 71 HH11 ARG 71 11.578 -9.178 1.851 549 HH12 ARG 71 HH12 ARG 71 12.618 -10.184 0.934 550 HH21 ARG 71 HH22 ARG 71 13.177 -12.571 3.458 551 HH22 ARG 71 HH21 ARG 71 13.537 -12.117 1.845 552 H ARG 72 H ARG 72 7.769 -6.382 4.155 553 HA ARG 72 HA ARG 72 7.152 -5.103 6.672 554 HB2 ARG 72 HB3 ARG 72 6.588 -3.884 4.006 555 HB3 ARG 72 HB2 ARG 72 5.461 -3.610 5.306 556 HG2 ARG 72 HG3 ARG 72 8.355 -3.135 5.660 557 HG3 ARG 72 HG2 ARG 72 7.316 -1.877 4.929 558 HD2 ARG 72 HD3 ARG 72 7.527 -1.453 7.302 559 HD3 ARG 72 HD2 ARG 72 5.904 -2.026 6.980 560 HE ARG 72 HE ARG 72 6.287 -3.738 8.401 561 HH11 ARG 72 HH11 ARG 72 9.434 -2.151 7.895 562 HH12 ARG 72 HH12 ARG 72 10.284 -3.357 8.735 563 HH21 ARG 72 HH22 ARG 72 7.535 -5.365 9.649 564 HH22 ARG 72 HH21 ARG 72 9.228 -5.109 9.739 565 HA PRO 73 HA PRO 73 4.411 -8.605 5.209 566 HB2 PRO 73 HB2 PRO 73 5.243 -9.836 7.746 567 HB3 PRO 73 HB3 PRO 73 5.216 -10.529 6.114 568 HG2 PRO 73 HG3 PRO 73 7.492 -9.911 7.341 569 HG3 PRO 73 HG2 PRO 73 7.288 -9.694 5.586 570 HD2 PRO 73 HD3 PRO 73 7.088 -7.666 7.772 571 HD3 PRO 73 HD2 PRO 73 7.928 -7.543 6.211 572 H ASP 74 H ASP 74 4.951 -6.686 8.009 573 HA ASP 74 HA ASP 74 2.786 -7.510 9.663 574 HB2 ASP 74 HB3 ASP 74 3.849 -4.669 9.536 575 HB3 ASP 74 HB2 ASP 74 3.150 -5.483 10.927 576 H LEU 75 H LEU 75 3.382 -5.092 7.566 577 HA LEU 75 HA LEU 75 0.790 -3.889 7.375 578 HB2 LEU 75 HB3 LEU 75 3.110 -3.563 5.474 579 HB3 LEU 75 HB2 LEU 75 1.612 -2.707 5.269 580 HG LEU 75 HG LEU 75 2.003 -1.460 7.437 581 HD11 LEU 75 HD11 LEU 75 4.740 -2.583 7.600 582 HD12 LEU 75 HD12 LEU 75 3.394 -3.380 8.412 583 HD13 LEU 75 HD13 LEU 75 3.783 -1.696 8.786 584 HD21 LEU 75 HD21 LEU 75 2.929 -0.815 5.148 585 HD22 LEU 75 HD22 LEU 75 4.494 -1.292 5.800 586 HD23 LEU 75 HD23 LEU 75 3.571 -0.018 6.589 587 H LEU 76 H LEU 76 2.476 -5.990 5.306 588 HA LEU 76 HA LEU 76 0.606 -6.656 3.236 589 HB2 LEU 76 HB3 LEU 76 2.779 -7.974 3.461 590 HB3 LEU 76 HB2 LEU 76 1.943 -8.884 4.736 591 HG LEU 76 HG LEU 76 0.165 -9.278 3.029 592 HD11 LEU 76 HD11 LEU 76 0.172 -8.826 1.055 593 HD12 LEU 76 HD12 LEU 76 1.817 -9.446 0.805 594 HD13 LEU 76 HD13 LEU 76 1.569 -7.809 1.389 595 HD21 LEU 76 HD21 LEU 76 2.581 -10.781 3.575 596 HD22 LEU 76 HD22 LEU 76 1.871 -11.175 2.004 597 HD23 LEU 76 HD23 LEU 76 0.907 -11.294 3.494 598 H THR 77 H THR 77 0.958 -8.261 6.204 599 HA THR 77 HA THR 77 -1.186 -9.900 6.426 600 HB THR 77 HB THR 77 0.072 -8.279 8.550 601 HG1 THR 77 HG1 THR 77 1.577 -9.639 7.844 602 HG21 THR 77 HG21 THR 77 -1.689 -8.913 9.695 603 HG22 THR 77 HG22 THR 77 -0.748 -10.421 9.889 604 HG23 THR 77 HG23 THR 77 -1.999 -10.298 8.616 605 H MET 78 H MET 78 -1.038 -6.584 7.328 606 HA MET 78 HA MET 78 -3.706 -6.298 8.225 607 HB2 MET 78 HB3 MET 78 -1.871 -4.179 7.067 608 HB3 MET 78 HB2 MET 78 -3.373 -3.872 7.922 609 HG2 MET 78 HG3 MET 78 -2.515 -4.920 9.919 610 HG3 MET 78 HG2 MET 78 -1.034 -5.352 9.085 611 HE1 MET 78 HE1 MET 78 -0.214 -2.649 11.806 612 HE2 MET 78 HE2 MET 78 0.574 -4.018 11.017 613 HE3 MET 78 HE3 MET 78 -1.039 -4.218 11.712 614 H VAL 79 H VAL 79 -2.302 -6.056 4.996 615 HA VAL 79 HA VAL 79 -4.696 -5.130 3.704 616 HB VAL 79 HB VAL 79 -2.297 -6.583 2.532 617 HG11 VAL 79 HG11 VAL 79 -2.862 -5.654 0.409 618 HG12 VAL 79 HG12 VAL 79 -4.131 -4.655 1.118 619 HG13 VAL 79 HG13 VAL 79 -4.307 -6.404 1.089 620 HG21 VAL 79 HG21 VAL 79 -2.651 -3.766 3.348 621 HG22 VAL 79 HG22 VAL 79 -1.667 -4.089 1.912 622 HG23 VAL 79 HG23 VAL 79 -1.262 -4.814 3.501 623 H VAL 80 H VAL 80 -3.024 -8.248 3.932 624 HA VAL 80 HA VAL 80 -4.880 -9.974 2.668 625 HB VAL 80 HB VAL 80 -3.028 -10.528 5.036 626 HG11 VAL 80 HG11 VAL 80 -3.820 -12.656 3.088 627 HG12 VAL 80 HG12 VAL 80 -4.930 -12.196 4.409 628 HG13 VAL 80 HG13 VAL 80 -3.310 -12.753 4.780 629 HG21 VAL 80 HG21 VAL 80 -1.857 -11.645 2.830 630 HG22 VAL 80 HG22 VAL 80 -1.386 -10.116 3.586 631 HG23 VAL 80 HG23 VAL 80 -2.498 -10.113 2.211 632 H ASP 81 H ASP 81 -4.504 -9.342 5.922 633 HA ASP 81 HA ASP 81 -6.695 -10.699 6.964 634 HB2 ASP 81 HB3 ASP 81 -4.948 -9.778 8.488 635 HB3 ASP 81 HB2 ASP 81 -5.667 -8.189 8.326 636 H TYR 82 H TYR 82 -6.518 -7.472 5.985 637 HA TYR 82 HA TYR 82 -9.121 -6.366 6.443 638 HB2 TYR 82 HB3 TYR 82 -7.482 -4.900 5.633 639 HB3 TYR 82 HB2 TYR 82 -7.144 -5.917 4.230 640 HD1 TYR 82 HD1 TYR 82 -9.956 -3.841 5.728 641 HD2 TYR 82 HD2 TYR 82 -8.077 -5.483 2.283 642 HE1 TYR 82 HE1 TYR 82 -11.477 -2.605 4.297 643 HE2 TYR 82 HE2 TYR 82 -9.580 -4.309 0.842 644 HH TYR 82 HH TYR 82 -11.180 -2.695 0.739 645 H ARG 83 H ARG 83 -7.813 -8.085 3.664 646 HA ARG 83 HA ARG 83 -9.986 -8.133 2.008 647 HB2 ARG 83 HB3 ARG 83 -7.841 -8.541 1.233 648 HB3 ARG 83 HB2 ARG 83 -7.502 -9.685 2.482 649 HG2 ARG 83 HG3 ARG 83 -9.442 -10.297 0.356 650 HG3 ARG 83 HG2 ARG 83 -7.704 -10.465 0.021 651 HD2 ARG 83 HD3 ARG 83 -7.635 -11.942 2.040 652 HD3 ARG 83 HD2 ARG 83 -9.388 -11.936 2.111 653 HE ARG 83 HE ARG 83 -8.396 -12.581 -0.481 654 HH11 ARG 83 HH11 ARG 83 -9.009 -14.045 2.713 655 HH12 ARG 83 HH12 ARG 83 -9.078 -15.640 2.087 656 HH21 ARG 83 HH22 ARG 83 -8.310 -14.833 -1.277 657 HH22 ARG 83 HH21 ARG 83 -8.633 -16.082 -0.176 658 H THR 84 H THR 84 -8.950 -10.319 4.218 659 HA THR 84 HA THR 84 -11.110 -12.214 4.174 660 HB THR 84 HB THR 84 -9.198 -11.488 6.266 661 HG1 THR 84 HG1 THR 84 -7.826 -12.746 5.217 662 HG21 THR 84 HG21 THR 84 -9.573 -13.789 7.085 663 HG22 THR 84 HG22 THR 84 -11.009 -13.780 5.996 664 HG23 THR 84 HG23 THR 84 -10.824 -12.522 7.278 665 H ARG 85 H ARG 85 -10.367 -10.180 6.623 666 HA ARG 85 HA ARG 85 -12.554 -10.286 8.177 667 HB2 ARG 85 HB3 ARG 85 -12.237 -8.199 9.436 668 HB3 ARG 85 HB2 ARG 85 -10.734 -9.065 9.204 669 HG2 ARG 85 HG3 ARG 85 -9.989 -7.445 7.585 670 HG3 ARG 85 HG2 ARG 85 -11.571 -6.671 7.541 671 HD2 ARG 85 HD3 ARG 85 -10.167 -5.376 8.915 672 HD3 ARG 85 HD2 ARG 85 -11.373 -6.286 9.869 673 HE ARG 85 HE ARG 85 -8.910 -7.693 9.915 674 HH11 ARG 85 HH11 ARG 85 -10.329 -4.709 11.284 675 HH12 ARG 85 HH12 ARG 85 -9.243 -4.635 12.576 676 HH21 ARG 85 HH22 ARG 85 -7.471 -7.556 11.569 677 HH22 ARG 85 HH21 ARG 85 -7.502 -6.299 12.766 678 H VAL 86 H VAL 86 -12.172 -7.944 6.018 679 HA VAL 86 HA VAL 86 -14.786 -6.826 6.080 680 HB VAL 86 HB VAL 86 -12.745 -6.609 3.881 681 HG11 VAL 86 HG11 VAL 86 -15.341 -6.223 3.249 682 HG12 VAL 86 HG12 VAL 86 -14.128 -5.065 2.706 683 HG13 VAL 86 HG13 VAL 86 -15.089 -4.720 4.146 684 HG21 VAL 86 HG21 VAL 86 -13.212 -5.439 6.406 685 HG22 VAL 86 HG22 VAL 86 -13.374 -4.176 5.179 686 HG23 VAL 86 HG23 VAL 86 -11.887 -5.129 5.275 687 H LEU 87 H LEU 87 -13.510 -9.457 4.330 688 HA LEU 87 HA LEU 87 -15.756 -10.175 2.755 689 HB2 LEU 87 HB3 LEU 87 -13.593 -11.032 2.307 690 HB3 LEU 87 HB2 LEU 87 -13.378 -11.448 3.982 691 HG LEU 87 HG LEU 87 -14.579 -13.359 3.786 692 HD11 LEU 87 HD11 LEU 87 -16.432 -12.669 2.206 693 HD12 LEU 87 HD12 LEU 87 -15.605 -14.055 1.493 694 HD13 LEU 87 HD13 LEU 87 -15.257 -12.443 0.909 695 HD21 LEU 87 HD21 LEU 87 -13.285 -13.944 1.305 696 HD22 LEU 87 HD22 LEU 87 -12.829 -14.360 2.962 697 HD23 LEU 87 HD23 LEU 87 -12.329 -12.822 2.242 698 H LYS 88 H LYS 88 -14.639 -11.084 5.971 699 HA LYS 88 HA LYS 88 -16.806 -12.630 6.802 700 HB2 LYS 88 HB3 LYS 88 -14.577 -12.743 7.800 701 HB3 LYS 88 HB2 LYS 88 -14.675 -11.086 8.302 702 HG2 LYS 88 HG3 LYS 88 -16.335 -13.322 9.505 703 HG3 LYS 88 HG2 LYS 88 -14.798 -12.761 10.150 704 HD2 LYS 88 HD3 LYS 88 -15.818 -10.492 10.429 705 HD3 LYS 88 HD2 LYS 88 -17.348 -11.182 9.896 706 HE2 LYS 88 HE3 LYS 88 -15.786 -12.012 12.347 707 HE3 LYS 88 HE2 LYS 88 -17.194 -10.962 12.361 708 HZ1 LYS 88 HZ1 LYS 88 -18.194 -13.118 11.139 709 HZ2 LYS 88 HZ2 LYS 88 -18.208 -12.865 12.810 710 HZ3 LYS 88 HZ3 LYS 88 -17.021 -13.836 12.166 711 H ILE 89 H ILE 89 -16.265 -9.125 7.142 712 HA ILE 89 HA ILE 89 -18.485 -8.704 8.793 713 HB ILE 89 HB ILE 89 -16.621 -6.998 7.195 714 HG12 ILE 89 HG13 ILE 89 -16.844 -7.467 10.180 715 HG13 ILE 89 HG12 ILE 89 -15.577 -8.019 9.078 716 HG21 ILE 89 HG21 ILE 89 -18.508 -5.812 7.144 717 HG22 ILE 89 HG22 ILE 89 -17.505 -5.052 8.405 718 HG23 ILE 89 HG23 ILE 89 -18.906 -6.077 8.859 719 HD11 ILE 89 HD11 ILE 89 -16.129 -5.180 9.904 720 HD12 ILE 89 HD12 ILE 89 -14.919 -5.663 8.712 721 HD13 ILE 89 HD13 ILE 89 -14.773 -6.199 10.385 722 H SER 90 H SER 90 -17.790 -8.070 5.371 723 HA SER 90 HA SER 90 -20.505 -7.153 4.917 724 HB2 SER 90 HB3 SER 90 -18.162 -7.411 3.031 725 HB3 SER 90 HB2 SER 90 -19.716 -6.653 2.629 726 HG SER 90 HG SER 90 -17.694 -5.762 4.381 Start of MODEL 18 1 H1 MET 1 H MET 1 -12.373 0.390 1.154 2 H2 MET 1 H2 MET 1 -13.517 -0.783 0.696 3 H3 MET 1 H3 MET 1 -12.806 0.262 -0.446 4 HA MET 1 HA MET 1 -14.230 1.960 -0.004 5 HB2 MET 1 HB3 MET 1 -15.599 -0.338 0.345 6 HB3 MET 1 HB2 MET 1 -15.514 0.109 2.040 7 HG2 MET 1 HG3 MET 1 -16.863 1.695 -0.140 8 HG3 MET 1 HG2 MET 1 -17.670 0.605 0.985 9 HE1 MET 1 HE1 MET 1 -18.876 2.885 0.406 10 HE2 MET 1 HE2 MET 1 -18.745 4.347 1.380 11 HE3 MET 1 HE3 MET 1 -19.489 2.885 2.052 12 H ALA 2 H ALA 2 -15.366 2.321 2.702 13 HA ALA 2 HA ALA 2 -13.344 3.944 3.754 14 HB1 ALA 2 HB1 ALA 2 -15.724 2.783 5.199 15 HB2 ALA 2 HB2 ALA 2 -15.530 4.427 4.575 16 HB3 ALA 2 HB3 ALA 2 -14.616 3.910 5.991 17 H GLU 3 H GLU 3 -14.216 0.936 5.081 18 HA GLU 3 HA GLU 3 -12.429 0.438 6.903 19 HB2 GLU 3 HB3 GLU 3 -12.921 -1.582 4.733 20 HB3 GLU 3 HB2 GLU 3 -12.308 -1.966 6.349 21 HG2 GLU 3 HG3 GLU 3 -14.873 -0.650 5.750 22 HG3 GLU 3 HG2 GLU 3 -14.723 -2.407 6.051 23 H TYR 4 H TYR 4 -11.935 0.219 3.866 24 HA TYR 4 HA TYR 4 -9.157 -0.581 3.435 25 HB2 TYR 4 HB3 TYR 4 -10.666 -0.594 1.511 26 HB3 TYR 4 HB2 TYR 4 -10.560 1.172 1.385 27 HD1 TYR 4 HD1 TYR 4 -8.210 -1.659 1.805 28 HD2 TYR 4 HD2 TYR 4 -9.287 1.691 -0.553 29 HE1 TYR 4 HE1 TYR 4 -6.345 -2.137 0.311 30 HE2 TYR 4 HE2 TYR 4 -7.400 1.245 -2.046 31 HH TYR 4 HH TYR 4 -6.092 -0.775 -2.691 32 H GLY 5 H GLY 5 -10.708 2.477 3.466 33 HA2 GLY 5 HA3 GLY 5 -8.538 4.337 3.290 34 HA3 GLY 5 HA2 GLY 5 -9.986 4.674 4.228 35 H THR 6 H THR 6 -9.848 2.874 6.398 36 HA THR 6 HA THR 6 -7.752 3.863 8.033 37 HB THR 6 HB THR 6 -9.457 1.411 8.283 38 HG1 THR 6 HG1 THR 6 -10.166 3.780 9.595 39 HG21 THR 6 HG21 THR 6 -7.781 1.415 9.881 40 HG22 THR 6 HG22 THR 6 -9.198 2.067 10.737 41 HG23 THR 6 HG23 THR 6 -7.914 3.144 10.111 42 H LEU 7 H LEU 7 -8.379 0.907 6.460 43 HA LEU 7 HA LEU 7 -6.162 -0.711 7.046 44 HB2 LEU 7 HB3 LEU 7 -7.924 -1.483 5.715 45 HB3 LEU 7 HB2 LEU 7 -7.529 -0.398 4.424 46 HG LEU 7 HG LEU 7 -7.098 -2.793 4.241 47 HD11 LEU 7 HD11 LEU 7 -6.220 -1.361 2.611 48 HD12 LEU 7 HD12 LEU 7 -4.875 -2.442 3.003 49 HD13 LEU 7 HD13 LEU 7 -4.933 -0.778 3.656 50 HD21 LEU 7 HD21 LEU 7 -5.612 -3.906 5.444 51 HD22 LEU 7 HD22 LEU 7 -5.804 -2.554 6.560 52 HD23 LEU 7 HD23 LEU 7 -4.449 -2.573 5.429 53 H LEU 8 H LEU 8 -6.159 1.399 4.513 54 HA LEU 8 HA LEU 8 -3.376 1.448 3.813 55 HB2 LEU 8 HB3 LEU 8 -5.289 3.780 3.470 56 HB3 LEU 8 HB2 LEU 8 -3.590 3.819 3.031 57 HG LEU 8 HG LEU 8 -3.868 2.271 1.275 58 HD11 LEU 8 HD11 LEU 8 -6.611 1.741 2.344 59 HD12 LEU 8 HD12 LEU 8 -5.293 0.611 2.187 60 HD13 LEU 8 HD13 LEU 8 -6.073 1.251 0.740 61 HD21 LEU 8 HD21 LEU 8 -5.964 4.374 1.414 62 HD22 LEU 8 HD22 LEU 8 -5.885 3.297 0.014 63 HD23 LEU 8 HD23 LEU 8 -4.505 4.310 0.440 64 H GLN 9 H GLN 9 -5.080 3.229 6.149 65 HA GLN 9 HA GLN 9 -2.929 4.718 7.239 66 HB2 GLN 9 HB3 GLN 9 -4.920 5.840 7.195 67 HB3 GLN 9 HB2 GLN 9 -5.784 4.374 7.660 68 HG2 GLN 9 HG3 GLN 9 -5.490 4.600 9.654 69 HG3 GLN 9 HG2 GLN 9 -3.946 5.559 9.648 70 HE21 GLN 9 HE22 GLN 9 -4.241 7.707 9.976 71 HE22 GLN 9 HE21 GLN 9 -5.764 8.508 9.986 72 H ASP 10 H ASP 10 -4.147 1.786 7.716 73 HA ASP 10 HA ASP 10 -3.423 1.203 10.485 74 HB2 ASP 10 HB3 ASP 10 -4.309 -0.651 8.248 75 HB3 ASP 10 HB2 ASP 10 -3.698 -1.299 9.757 76 H LEU 11 H LEU 11 -2.112 0.636 7.244 77 HA LEU 11 HA LEU 11 0.276 -0.414 8.323 78 HB2 LEU 11 HB3 LEU 11 0.994 -0.713 6.076 79 HB3 LEU 11 HB2 LEU 11 -0.545 -1.536 6.390 80 HG LEU 11 HG LEU 11 -1.488 0.621 5.266 81 HD11 LEU 11 HD11 LEU 11 -0.047 2.004 4.352 82 HD12 LEU 11 HD12 LEU 11 0.771 0.684 3.503 83 HD13 LEU 11 HD13 LEU 11 1.213 1.085 5.168 84 HD21 LEU 11 HD21 LEU 11 -0.198 -1.213 3.299 85 HD22 LEU 11 HD22 LEU 11 -1.857 -0.629 3.387 86 HD23 LEU 11 HD23 LEU 11 -1.313 -1.917 4.467 87 H THR 12 H THR 12 -0.957 2.480 7.169 88 HA THR 12 HA THR 12 1.426 3.998 6.744 89 HB THR 12 HB THR 12 -1.434 4.793 7.164 90 HG1 THR 12 HG1 THR 12 -1.047 3.906 5.220 91 HG21 THR 12 HG21 THR 12 -0.090 6.821 5.955 92 HG22 THR 12 HG22 THR 12 0.865 6.392 7.419 93 HG23 THR 12 HG23 THR 12 -0.894 6.780 7.580 94 H ASN 13 H ASN 13 -0.564 3.416 9.571 95 HA ASN 13 HA ASN 13 0.848 5.229 11.273 96 HB2 ASN 13 HB3 ASN 13 -0.896 2.871 12.009 97 HB3 ASN 13 HB2 ASN 13 -0.070 3.819 13.237 98 HD21 ASN 13 HD22 ASN 13 -2.962 3.371 11.876 99 HD22 ASN 13 HD21 ASN 13 -3.633 4.955 12.029 100 H ASN 14 H ASN 14 1.387 2.058 10.249 101 HA ASN 14 HA ASN 14 3.666 1.730 12.015 102 HB2 ASN 14 HB3 ASN 14 2.410 -0.210 10.039 103 HB3 ASN 14 HB2 ASN 14 3.826 -0.560 11.002 104 HD21 ASN 14 HD22 ASN 14 0.441 -0.683 11.000 105 HD22 ASN 14 HD21 ASN 14 0.262 -1.012 12.688 106 H ILE 15 H ILE 15 3.068 2.975 9.034 107 HA ILE 15 HA ILE 15 5.544 2.332 7.737 108 HB ILE 15 HB ILE 15 3.246 4.177 7.130 109 HG12 ILE 15 HG13 ILE 15 3.168 1.828 6.357 110 HG13 ILE 15 HG12 ILE 15 3.034 3.010 5.051 111 HG21 ILE 15 HG21 ILE 15 4.549 5.736 6.298 112 HG22 ILE 15 HG22 ILE 15 4.695 4.597 4.927 113 HG23 ILE 15 HG23 ILE 15 5.937 4.645 6.153 114 HD11 ILE 15 HD11 ILE 15 4.759 0.858 5.109 115 HD12 ILE 15 HD12 ILE 15 5.790 2.214 5.572 116 HD13 ILE 15 HD13 ILE 15 4.907 2.278 4.063 117 H THR 16 H THR 16 7.354 3.112 8.368 118 HA THR 16 HA THR 16 7.600 5.754 9.462 119 HB THR 16 HB THR 16 9.887 5.175 9.850 120 HG1 THR 16 HG1 THR 16 9.573 2.548 8.906 121 HG21 THR 16 HG21 THR 16 8.227 2.833 10.424 122 HG22 THR 16 HG22 THR 16 8.204 4.367 11.331 123 HG23 THR 16 HG23 THR 16 9.709 3.376 11.304 124 H LEU 17 H LEU 17 9.008 6.882 8.436 125 HA LEU 17 HA LEU 17 8.830 7.273 5.622 126 HB2 LEU 17 HB3 LEU 17 9.833 9.009 7.068 127 HB3 LEU 17 HB2 LEU 17 11.256 8.009 7.265 128 HG LEU 17 HG LEU 17 11.772 8.244 4.890 129 HD11 LEU 17 HD11 LEU 17 9.090 9.062 4.695 130 HD12 LEU 17 HD12 LEU 17 10.286 8.912 3.400 131 HD13 LEU 17 HD13 LEU 17 10.082 10.443 4.229 132 HD21 LEU 17 HD21 LEU 17 12.890 9.809 6.215 133 HD22 LEU 17 HD22 LEU 17 11.408 10.703 6.547 134 HD23 LEU 17 HD23 LEU 17 12.151 10.772 4.946 135 H GLU 18 H GLU 18 11.287 5.565 7.442 136 HA GLU 18 HA GLU 18 12.932 4.508 5.454 137 HB2 GLU 18 HB3 GLU 18 12.137 3.279 8.104 138 HB3 GLU 18 HB2 GLU 18 13.596 2.894 7.206 139 HG2 GLU 18 HG3 GLU 18 14.481 5.096 7.594 140 HG3 GLU 18 HG2 GLU 18 12.969 5.635 8.300 141 H ASP 19 H ASP 19 10.290 3.041 7.053 142 HA ASP 19 HA ASP 19 10.027 0.568 5.688 143 HB2 ASP 19 HB3 ASP 19 7.819 2.254 6.873 144 HB3 ASP 19 HB2 ASP 19 7.398 0.756 6.051 145 H LEU 20 H LEU 20 8.248 3.367 4.865 146 HA LEU 20 HA LEU 20 7.356 2.602 2.421 147 HB2 LEU 20 HB3 LEU 20 8.178 5.264 3.217 148 HB3 LEU 20 HB2 LEU 20 7.773 4.981 1.538 149 HG LEU 20 HG LEU 20 5.973 4.513 3.888 150 HD11 LEU 20 HD11 LEU 20 6.683 6.726 2.168 151 HD12 LEU 20 HD12 LEU 20 5.694 6.728 3.623 152 HD13 LEU 20 HD13 LEU 20 4.977 6.336 2.059 153 HD21 LEU 20 HD21 LEU 20 4.893 4.549 1.150 154 HD22 LEU 20 HD22 LEU 20 4.534 3.441 2.484 155 HD23 LEU 20 HD23 LEU 20 5.947 3.179 1.498 156 H GLU 21 H GLU 21 10.463 3.902 3.012 157 HA GLU 21 HA GLU 21 11.049 3.976 0.309 158 HB2 GLU 21 HB3 GLU 21 13.053 4.021 2.550 159 HB3 GLU 21 HB2 GLU 21 13.432 4.366 0.848 160 HG2 GLU 21 HG3 GLU 21 11.543 6.108 0.969 161 HG3 GLU 21 HG2 GLU 21 11.628 5.859 2.702 162 H GLN 22 H GLN 22 11.330 1.569 2.467 163 HA GLN 22 HA GLN 22 12.693 -0.203 0.689 164 HB2 GLN 22 HB3 GLN 22 12.595 -0.782 3.072 165 HB3 GLN 22 HB2 GLN 22 10.859 -1.122 2.855 166 HG2 GLN 22 HG3 GLN 22 11.325 -2.944 1.400 167 HG3 GLN 22 HG2 GLN 22 13.051 -2.592 1.417 168 HE21 GLN 22 HE22 GLN 22 11.950 -2.088 4.498 169 HE22 GLN 22 HE21 GLN 22 12.264 -3.656 5.166 170 H LEU 23 H LEU 23 9.152 0.262 1.279 171 HA LEU 23 HA LEU 23 8.235 -1.587 -0.542 172 HB2 LEU 23 HB3 LEU 23 7.156 1.093 0.356 173 HB3 LEU 23 HB2 LEU 23 6.227 -0.162 -0.449 174 HG LEU 23 HG LEU 23 7.495 -0.391 2.249 175 HD11 LEU 23 HD11 LEU 23 4.607 0.005 1.464 176 HD12 LEU 23 HD12 LEU 23 5.658 1.233 2.172 177 HD13 LEU 23 HD13 LEU 23 5.217 -0.190 3.104 178 HD21 LEU 23 HD21 LEU 23 6.619 -2.385 0.493 179 HD22 LEU 23 HD22 LEU 23 5.373 -2.238 1.746 180 HD23 LEU 23 HD23 LEU 23 7.056 -2.532 2.193 181 H LYS 24 H LYS 24 9.064 1.617 -0.806 182 HA LYS 24 HA LYS 24 8.385 2.143 -3.557 183 HB2 LYS 24 HB3 LYS 24 10.787 3.459 -2.252 184 HB3 LYS 24 HB2 LYS 24 9.967 4.018 -3.695 185 HG2 LYS 24 HG3 LYS 24 7.935 4.425 -2.328 186 HG3 LYS 24 HG2 LYS 24 8.864 3.994 -0.899 187 HD2 LYS 24 HD3 LYS 24 9.430 6.267 -2.803 188 HD3 LYS 24 HD2 LYS 24 8.808 6.416 -1.163 189 HE2 LYS 24 HE3 LYS 24 10.917 5.496 -0.290 190 HE3 LYS 24 HE2 LYS 24 11.528 5.352 -1.930 191 HZ1 LYS 24 HZ1 LYS 24 12.328 7.415 -1.638 192 HZ2 LYS 24 HZ2 LYS 24 11.469 7.638 -0.223 193 HZ3 LYS 24 HZ3 LYS 24 10.767 7.996 -1.735 194 H SER 25 H SER 25 11.051 1.309 -2.225 195 HA SER 25 HA SER 25 12.933 0.820 -4.340 196 HB2 SER 25 HB3 SER 25 13.122 -0.784 -1.755 197 HB3 SER 25 HB2 SER 25 14.400 -0.691 -2.966 198 HG SER 25 HG SER 25 13.392 1.338 -1.309 199 H ALA 26 H ALA 26 10.977 -1.313 -2.786 200 HA ALA 26 HA ALA 26 11.232 -3.489 -4.628 201 HB1 ALA 26 HB1 ALA 26 8.552 -3.413 -3.500 202 HB2 ALA 26 HB2 ALA 26 9.797 -3.170 -2.273 203 HB3 ALA 26 HB3 ALA 26 9.830 -4.600 -3.284 204 H CYS 27 H CYS 27 8.848 -0.848 -4.440 205 HA CYS 27 HA CYS 27 7.497 -1.557 -6.815 206 HB2 CYS 27 HB3 CYS 27 7.666 1.140 -5.567 207 HB3 CYS 27 HB2 CYS 27 6.506 0.518 -6.735 208 HG CYS 27 HG CYS 27 6.883 -0.602 -3.574 209 H LYS 28 H LYS 28 10.558 -0.334 -6.691 210 HA LYS 28 HA LYS 28 10.483 1.991 -7.975 211 HB2 LYS 28 HB3 LYS 28 12.819 1.751 -8.574 212 HB3 LYS 28 HB2 LYS 28 12.459 1.062 -6.986 213 HG2 LYS 28 HG3 LYS 28 12.562 -1.136 -7.842 214 HG3 LYS 28 HG2 LYS 28 12.824 -0.519 -9.480 215 HD2 LYS 28 HD3 LYS 28 14.881 0.558 -8.778 216 HD3 LYS 28 HD2 LYS 28 14.626 0.019 -7.119 217 HE2 LYS 28 HE3 LYS 28 14.872 -2.316 -7.862 218 HE3 LYS 28 HE2 LYS 28 15.113 -1.760 -9.515 219 HZ1 LYS 28 HZ1 LYS 28 17.244 -1.483 -9.070 220 HZ2 LYS 28 HZ2 LYS 28 17.025 -1.951 -7.451 221 HZ3 LYS 28 HZ3 LYS 28 16.867 -0.343 -7.866 222 H GLU 29 H GLU 29 10.275 -1.063 -9.588 223 HA GLU 29 HA GLU 29 10.535 0.061 -12.189 224 HB2 GLU 29 HB3 GLU 29 9.478 -2.634 -11.353 225 HB3 GLU 29 HB2 GLU 29 9.843 -2.129 -13.008 226 HG2 GLU 29 HG3 GLU 29 12.200 -1.783 -12.327 227 HG3 GLU 29 HG2 GLU 29 11.791 -2.389 -10.730 228 H ASP 30 H ASP 30 7.783 -0.705 -10.084 229 HA ASP 30 HA ASP 30 5.945 -0.075 -12.212 230 HB2 ASP 30 HB3 ASP 30 5.432 -1.072 -9.451 231 HB3 ASP 30 HB2 ASP 30 4.115 -0.455 -10.434 232 H ILE 31 H ILE 31 6.766 1.445 -9.129 233 HA ILE 31 HA ILE 31 4.887 3.515 -9.903 234 HB ILE 31 HB ILE 31 4.893 2.515 -7.549 235 HG12 ILE 31 HG13 ILE 31 3.851 4.754 -7.819 236 HG13 ILE 31 HG12 ILE 31 4.600 4.514 -6.252 237 HG21 ILE 31 HG21 ILE 31 7.351 4.150 -7.198 238 HG22 ILE 31 HG22 ILE 31 7.271 2.358 -7.244 239 HG23 ILE 31 HG23 ILE 31 6.464 3.289 -5.942 240 HD11 ILE 31 HD11 ILE 31 5.939 6.237 -6.505 241 HD12 ILE 31 HD12 ILE 31 4.993 6.662 -7.946 242 HD13 ILE 31 HD13 ILE 31 6.445 5.657 -8.106 243 HA PRO 32 HA PRO 32 8.073 5.438 -11.866 244 HB2 PRO 32 HB2 PRO 32 6.763 8.043 -11.193 245 HB3 PRO 32 HB3 PRO 32 7.316 7.432 -12.755 246 HG2 PRO 32 HG3 PRO 32 4.725 7.338 -12.147 247 HG3 PRO 32 HG2 PRO 32 5.513 5.982 -12.977 248 HD2 PRO 32 HD3 PRO 32 4.784 6.238 -10.100 249 HD3 PRO 32 HD2 PRO 32 4.619 4.820 -11.181 250 H SER 33 H SER 33 9.873 6.115 -11.520 251 HA SER 33 HA SER 33 11.171 6.358 -9.027 252 HB2 SER 33 HB3 SER 33 12.460 5.920 -11.165 253 HB3 SER 33 HB2 SER 33 12.251 7.613 -11.588 254 HG SER 33 HG SER 33 13.277 7.525 -9.151 255 H GLU 34 H GLU 34 10.407 8.838 -11.157 256 HA GLU 34 HA GLU 34 10.785 11.331 -10.023 257 HB2 GLU 34 HB3 GLU 34 9.577 11.123 -12.112 258 HB3 GLU 34 HB2 GLU 34 8.199 10.403 -11.289 259 HG2 GLU 34 HG3 GLU 34 7.898 12.580 -10.082 260 HG3 GLU 34 HG2 GLU 34 9.150 13.245 -11.116 261 H LYS 35 H LYS 35 8.220 9.430 -9.548 262 HA LYS 35 HA LYS 35 6.967 10.854 -7.392 263 HB2 LYS 35 HB3 LYS 35 6.207 8.349 -8.833 264 HB3 LYS 35 HB2 LYS 35 5.226 9.013 -7.509 265 HG2 LYS 35 HG3 LYS 35 6.053 10.642 -9.898 266 HG3 LYS 35 HG2 LYS 35 4.538 9.726 -9.826 267 HD2 LYS 35 HD3 LYS 35 3.857 10.874 -7.837 268 HD3 LYS 35 HD2 LYS 35 5.403 11.689 -7.716 269 HE2 LYS 35 HE3 LYS 35 3.585 12.134 -10.046 270 HE3 LYS 35 HE2 LYS 35 3.425 13.038 -8.532 271 HZ1 LYS 35 HZ1 LYS 35 5.743 13.117 -10.446 272 HZ2 LYS 35 HZ2 LYS 35 5.790 13.640 -8.809 273 HZ3 LYS 35 HZ3 LYS 35 4.703 14.318 -9.907 274 H SER 36 H SER 36 8.438 7.612 -7.420 275 HA SER 36 HA SER 36 8.179 6.997 -4.822 276 HB2 SER 36 HB3 SER 36 9.008 5.510 -6.406 277 HB3 SER 36 HB2 SER 36 10.424 6.502 -6.788 278 HG SER 36 HG SER 36 11.356 5.323 -5.349 279 H GLU 37 H GLU 37 10.322 9.067 -6.182 280 HA GLU 37 HA GLU 37 12.032 9.554 -3.925 281 HB2 GLU 37 HB3 GLU 37 11.655 11.454 -6.214 282 HB3 GLU 37 HB2 GLU 37 12.865 11.668 -4.952 283 HG2 GLU 37 HG3 GLU 37 12.598 9.358 -6.812 284 HG3 GLU 37 HG2 GLU 37 13.820 10.639 -6.955 285 H GLU 38 H GLU 38 9.411 11.121 -5.025 286 HA GLU 38 HA GLU 38 9.170 13.155 -2.947 287 HB2 GLU 38 HB3 GLU 38 7.107 14.052 -3.900 288 HB3 GLU 38 HB2 GLU 38 8.305 13.799 -5.138 289 HG2 GLU 38 HG3 GLU 38 7.190 11.738 -5.796 290 HG3 GLU 38 HG2 GLU 38 5.961 12.008 -4.584 291 H ILE 39 H ILE 39 8.143 10.047 -2.921 292 HA ILE 39 HA ILE 39 5.789 10.226 -1.289 293 HB ILE 39 HB ILE 39 7.472 7.856 -2.102 294 HG12 ILE 39 HG13 ILE 39 4.747 8.783 -2.980 295 HG13 ILE 39 HG12 ILE 39 6.258 9.114 -3.839 296 HG21 ILE 39 HG21 ILE 39 5.537 6.473 -1.437 297 HG22 ILE 39 HG22 ILE 39 4.863 7.880 -0.570 298 HG23 ILE 39 HG23 ILE 39 6.392 7.164 -0.066 299 HD11 ILE 39 HD11 ILE 39 5.400 6.367 -3.144 300 HD12 ILE 39 HD12 ILE 39 6.450 6.931 -4.459 301 HD13 ILE 39 HD13 ILE 39 4.705 7.257 -4.519 302 H THR 40 H THR 40 6.967 11.614 0.276 303 HA THR 40 HA THR 40 8.554 10.246 2.273 304 HB THR 40 HB THR 40 9.232 12.439 1.582 305 HG1 THR 40 HG1 THR 40 8.346 12.145 4.217 306 HG21 THR 40 HG21 THR 40 6.490 13.289 2.451 307 HG22 THR 40 HG22 THR 40 7.155 13.281 0.824 308 HG23 THR 40 HG23 THR 40 7.792 14.429 2.019 309 H THR 41 H THR 41 5.572 9.805 1.974 310 HA THR 41 HA THR 41 5.147 9.264 4.645 311 HB THR 41 HB THR 41 4.462 11.411 5.003 312 HG1 THR 41 HG1 THR 41 3.230 10.194 6.140 313 HG21 THR 41 HG21 THR 41 2.776 11.197 2.556 314 HG22 THR 41 HG22 THR 41 3.873 12.485 3.038 315 HG23 THR 41 HG23 THR 41 2.297 12.318 3.827 316 H GLY 42 H GLY 42 3.351 7.952 5.130 317 HA2 GLY 42 HA3 GLY 42 3.167 5.970 3.111 318 HA3 GLY 42 HA2 GLY 42 2.150 5.996 4.575 319 H SER 43 H SER 43 0.526 8.230 4.371 320 HA SER 43 HA SER 43 -1.345 7.725 2.622 321 HB2 SER 43 HB3 SER 43 -0.411 10.357 3.755 322 HB3 SER 43 HB2 SER 43 -2.059 9.936 3.262 323 HG SER 43 HG SER 43 -2.272 8.609 4.966 324 H ALA 44 H ALA 44 1.404 9.641 2.233 325 HA ALA 44 HA ALA 44 0.809 11.033 -0.182 326 HB1 ALA 44 HB1 ALA 44 2.879 11.843 -0.140 327 HB2 ALA 44 HB2 ALA 44 3.594 10.240 -0.345 328 HB3 ALA 44 HB3 ALA 44 3.184 10.834 1.271 329 H TRP 45 H TRP 45 2.420 7.893 0.124 330 HA TRP 45 HA TRP 45 2.462 7.383 -2.646 331 HB2 TRP 45 HB3 TRP 45 3.780 6.117 -0.857 332 HB3 TRP 45 HB2 TRP 45 2.269 5.403 -0.369 333 HD1 TRP 45 HD1 TRP 45 3.543 5.726 -4.030 334 HE1 TRP 45 HE1 TRP 45 3.657 3.307 -4.987 335 HE3 TRP 45 HE3 TRP 45 2.320 3.061 0.142 336 HZ2 TRP 45 HZ2 TRP 45 3.356 0.767 -4.158 337 HZ3 TRP 45 HZ3 TRP 45 2.266 0.615 -0.022 338 HH2 TRP 45 HH2 TRP 45 2.774 -0.511 -2.141 339 H PHE 46 H PHE 46 0.170 6.235 -0.209 340 HA PHE 46 HA PHE 46 -1.436 5.027 -2.079 341 HB2 PHE 46 HB3 PHE 46 -2.336 6.403 0.431 342 HB3 PHE 46 HB2 PHE 46 -3.390 5.365 -0.525 343 HD1 PHE 46 HD1 PHE 46 -2.144 3.077 -1.122 344 HD2 PHE 46 HD2 PHE 46 -1.463 5.478 2.318 345 HE1 PHE 46 HE1 PHE 46 -1.490 1.086 0.101 346 HE2 PHE 46 HE2 PHE 46 -0.815 3.457 3.596 347 HZ PHE 46 HZ PHE 46 -0.822 1.241 2.422 348 H SER 47 H SER 47 -1.812 8.066 -0.861 349 HA SER 47 HA SER 47 -3.855 9.065 -2.605 350 HB2 SER 47 HB3 SER 47 -1.839 10.770 -1.198 351 HB3 SER 47 HB2 SER 47 -3.313 11.376 -1.969 352 HG SER 47 HG SER 47 -4.117 9.408 -0.542 353 H PHE 48 H PHE 48 -0.453 8.982 -3.269 354 HA PHE 48 HA PHE 48 -0.615 10.471 -5.735 355 HB2 PHE 48 HB3 PHE 48 1.595 10.130 -4.889 356 HB3 PHE 48 HB2 PHE 48 1.349 8.415 -4.637 357 HD1 PHE 48 HD1 PHE 48 1.028 10.814 -7.497 358 HD2 PHE 48 HD2 PHE 48 2.314 7.044 -6.066 359 HE1 PHE 48 HE1 PHE 48 1.745 10.201 -9.753 360 HE2 PHE 48 HE2 PHE 48 3.066 6.422 -8.281 361 HZ PHE 48 HZ PHE 48 2.787 7.997 -10.163 362 H LEU 49 H LEU 49 -0.410 7.000 -4.847 363 HA LEU 49 HA LEU 49 -0.605 5.903 -7.212 364 HB2 LEU 49 HB3 LEU 49 -0.209 5.193 -4.833 365 HB3 LEU 49 HB2 LEU 49 -1.946 4.906 -4.780 366 HG LEU 49 HG LEU 49 -1.641 3.132 -6.603 367 HD11 LEU 49 HD11 LEU 49 0.493 4.488 -7.323 368 HD12 LEU 49 HD12 LEU 49 0.317 2.758 -7.538 369 HD13 LEU 49 HD13 LEU 49 1.272 3.381 -6.185 370 HD21 LEU 49 HD21 LEU 49 0.360 2.609 -4.442 371 HD22 LEU 49 HD22 LEU 49 -0.796 1.517 -5.175 372 HD23 LEU 49 HD23 LEU 49 -1.343 2.736 -4.032 373 H GLU 50 H GLU 50 -3.114 6.317 -4.900 374 HA GLU 50 HA GLU 50 -5.549 5.728 -6.141 375 HB2 GLU 50 HB3 GLU 50 -5.268 8.111 -4.304 376 HB3 GLU 50 HB2 GLU 50 -6.791 7.433 -4.795 377 HG2 GLU 50 HG3 GLU 50 -6.272 5.380 -3.607 378 HG3 GLU 50 HG2 GLU 50 -4.712 6.065 -3.120 379 H SER 51 H SER 51 -4.128 8.483 -6.148 380 HA SER 51 HA SER 51 -5.751 10.143 -7.868 381 HB2 SER 51 HB3 SER 51 -2.741 10.554 -7.709 382 HB3 SER 51 HB2 SER 51 -3.862 11.667 -8.513 383 HG SER 51 HG SER 51 -3.695 10.953 -5.781 384 H HIS 52 H HIS 52 -3.396 7.790 -8.687 385 HA HIS 52 HA HIS 52 -4.175 8.000 -11.495 386 HB2 HIS 52 HB3 HIS 52 -1.779 6.625 -10.309 387 HB3 HIS 52 HB2 HIS 52 -2.187 6.463 -12.059 388 HD1 HIS 52 HD1 HIS 52 0.064 7.649 -12.823 389 HD2 HIS 52 HD2 HIS 52 -2.091 9.565 -9.891 390 HE1 HIS 52 HE1 HIS 52 1.271 9.802 -12.512 391 H ASN 53 H ASN 53 -4.310 5.633 -12.564 392 HA ASN 53 HA ASN 53 -6.237 4.336 -10.879 393 HB2 ASN 53 HB3 ASN 53 -5.565 3.805 -13.779 394 HB3 ASN 53 HB2 ASN 53 -6.794 2.938 -12.870 395 HD21 ASN 53 HD22 ASN 53 -6.516 5.107 -15.153 396 HD22 ASN 53 HD21 ASN 53 -7.839 6.176 -14.820 397 H LYS 54 H LYS 54 -3.898 4.004 -9.763 398 HA LYS 54 HA LYS 54 -3.044 1.456 -10.475 399 HB2 LYS 54 HB3 LYS 54 -1.757 3.385 -8.574 400 HB3 LYS 54 HB2 LYS 54 -1.287 1.678 -8.759 401 HG2 LYS 54 HG3 LYS 54 -1.486 3.582 -11.056 402 HG3 LYS 54 HG2 LYS 54 0.026 3.189 -10.185 403 HD2 LYS 54 HD3 LYS 54 -0.185 0.870 -10.735 404 HD3 LYS 54 HD2 LYS 54 -1.825 1.163 -11.315 405 HE2 LYS 54 HE3 LYS 54 -1.365 2.196 -12.843 406 HE3 LYS 54 HE2 LYS 54 0.412 2.525 -12.647 407 HZ1 LYS 54 HZ1 LYS 54 0.733 0.074 -13.011 408 HZ2 LYS 54 HZ2 LYS 54 -0.079 0.690 -14.355 409 HZ3 LYS 54 HZ3 LYS 54 -0.937 -0.150 -13.182 410 H LEU 55 H LEU 55 -4.922 3.099 -8.175 411 HA LEU 55 HA LEU 55 -5.556 0.678 -6.793 412 HB2 LEU 55 HB3 LEU 55 -3.480 1.174 -5.672 413 HB3 LEU 55 HB2 LEU 55 -3.944 2.824 -5.386 414 HG LEU 55 HG LEU 55 -5.297 0.453 -4.036 415 HD11 LEU 55 HD11 LEU 55 -2.961 0.478 -3.406 416 HD12 LEU 55 HD12 LEU 55 -3.878 1.120 -2.054 417 HD13 LEU 55 HD13 LEU 55 -2.987 2.216 -3.124 418 HD21 LEU 55 HD21 LEU 55 -5.337 3.405 -3.603 419 HD22 LEU 55 HD22 LEU 55 -5.554 2.322 -2.234 420 HD23 LEU 55 HD23 LEU 55 -6.692 2.267 -3.604 421 H ASP 56 H ASP 56 -7.437 0.826 -7.011 422 HA ASP 56 HA ASP 56 -9.045 3.042 -6.372 423 HB2 ASP 56 HB3 ASP 56 -9.632 0.370 -7.420 424 HB3 ASP 56 HB2 ASP 56 -10.943 1.232 -6.622 425 H LYS 57 H LYS 57 -10.728 2.878 -4.982 426 HA LYS 57 HA LYS 57 -10.082 2.475 -2.290 427 HB2 LYS 57 HB3 LYS 57 -12.377 2.848 -1.740 428 HB3 LYS 57 HB2 LYS 57 -11.907 3.937 -3.033 429 HG2 LYS 57 HG3 LYS 57 -13.448 1.420 -3.291 430 HG3 LYS 57 HG2 LYS 57 -14.174 3.041 -3.360 431 HD2 LYS 57 HD3 LYS 57 -12.632 3.401 -5.345 432 HD3 LYS 57 HD2 LYS 57 -12.252 1.690 -5.192 433 HE2 LYS 57 HE3 LYS 57 -13.956 2.062 -6.956 434 HE3 LYS 57 HE2 LYS 57 -14.608 1.088 -5.639 435 HZ1 LYS 57 HZ1 LYS 57 -15.390 3.680 -6.572 436 HZ2 LYS 57 HZ2 LYS 57 -15.158 3.654 -4.905 437 HZ3 LYS 57 HZ3 LYS 57 -16.264 2.585 -5.585 438 H ASP 58 H ASP 58 -11.116 0.087 -4.605 439 HA ASP 58 HA ASP 58 -11.631 -1.811 -2.512 440 HB2 ASP 58 HB3 ASP 58 -12.838 -3.145 -4.292 441 HB3 ASP 58 HB2 ASP 58 -13.591 -1.621 -3.859 442 H ASN 59 H ASN 59 -9.838 -1.118 -5.306 443 HA ASN 59 HA ASN 59 -8.543 -3.703 -5.338 444 HB2 ASN 59 HB3 ASN 59 -8.163 -1.280 -7.026 445 HB3 ASN 59 HB2 ASN 59 -7.198 -2.754 -7.238 446 HD21 ASN 59 HD22 ASN 59 -10.144 -1.242 -7.794 447 HD22 ASN 59 HD21 ASN 59 -10.977 -2.508 -8.567 448 H LEU 60 H LEU 60 -6.847 -4.300 -4.724 449 HA LEU 60 HA LEU 60 -4.858 -2.566 -3.433 450 HB2 LEU 60 HB3 LEU 60 -4.713 -4.213 -1.552 451 HB3 LEU 60 HB2 LEU 60 -6.154 -3.237 -1.647 452 HG LEU 60 HG LEU 60 -7.368 -5.196 -2.595 453 HD11 LEU 60 HD11 LEU 60 -5.513 -7.222 -1.691 454 HD12 LEU 60 HD12 LEU 60 -4.877 -6.225 -3.008 455 HD13 LEU 60 HD13 LEU 60 -6.403 -7.076 -3.220 456 HD21 LEU 60 HD21 LEU 60 -6.911 -4.581 -0.076 457 HD22 LEU 60 HD22 LEU 60 -6.257 -6.224 -0.063 458 HD23 LEU 60 HD23 LEU 60 -7.933 -5.926 -0.574 459 H SER 61 H SER 61 -5.175 -5.317 -5.203 460 HA SER 61 HA SER 61 -3.110 -6.948 -4.680 461 HB2 SER 61 HB3 SER 61 -3.059 -7.713 -7.080 462 HB3 SER 61 HB2 SER 61 -4.661 -7.617 -6.358 463 HG SER 61 HG SER 61 -3.782 -6.405 -8.520 464 H TYR 62 H TYR 62 -2.715 -4.174 -6.459 465 HA TYR 62 HA TYR 62 0.032 -4.509 -7.237 466 HB2 TYR 62 HB3 TYR 62 -1.141 -2.716 -8.322 467 HB3 TYR 62 HB2 TYR 62 -1.551 -1.949 -6.795 468 HD1 TYR 62 HD2 TYR 62 1.724 -3.101 -6.985 469 HD2 TYR 62 HD1 TYR 62 -0.671 0.173 -7.948 470 HE1 TYR 62 HE2 TYR 62 3.796 -1.711 -7.181 471 HE2 TYR 62 HE1 TYR 62 1.394 1.595 -8.208 472 HH TYR 62 HH TYR 62 4.440 0.359 -8.402 473 H ILE 63 H ILE 63 -1.326 -3.020 -4.475 474 HA ILE 63 HA ILE 63 1.203 -2.422 -3.293 475 HB ILE 63 HB ILE 63 0.076 -1.214 -1.641 476 HG12 ILE 63 HG13 ILE 63 -2.551 -2.465 -2.447 477 HG13 ILE 63 HG12 ILE 63 -1.597 -3.106 -1.114 478 HG21 ILE 63 HG21 ILE 63 -1.799 -1.015 -3.823 479 HG22 ILE 63 HG22 ILE 63 -0.107 -0.700 -4.127 480 HG23 ILE 63 HG23 ILE 63 -0.983 0.259 -2.888 481 HD11 ILE 63 HD11 ILE 63 -1.526 -0.816 -0.254 482 HD12 ILE 63 HD12 ILE 63 -3.069 -1.659 -0.100 483 HD13 ILE 63 HD13 ILE 63 -2.827 -0.414 -1.388 484 H GLU 64 H GLU 64 -1.060 -4.900 -3.195 485 HA GLU 64 HA GLU 64 -0.478 -6.098 -0.609 486 HB2 GLU 64 HB3 GLU 64 -2.527 -6.733 -1.877 487 HB3 GLU 64 HB2 GLU 64 -1.512 -7.419 -3.143 488 HG2 GLU 64 HG3 GLU 64 -0.697 -9.096 -1.489 489 HG3 GLU 64 HG2 GLU 64 -1.798 -8.414 -0.302 490 H HIS 65 H HIS 65 0.566 -6.880 -3.914 491 HA HIS 65 HA HIS 65 2.766 -8.550 -3.383 492 HB2 HIS 65 HB3 HIS 65 1.691 -7.893 -5.581 493 HB3 HIS 65 HB2 HIS 65 2.342 -6.290 -5.338 494 HD1 HIS 65 HD1 HIS 65 3.722 -9.813 -5.650 495 HD2 HIS 65 HD2 HIS 65 4.556 -5.866 -6.553 496 HE1 HIS 65 HE1 HIS 65 5.855 -9.897 -6.982 497 H ILE 66 H ILE 66 2.939 -5.192 -3.749 498 HA ILE 66 HA ILE 66 5.464 -4.810 -3.185 499 HB ILE 66 HB ILE 66 3.322 -3.100 -2.039 500 HG12 ILE 66 HG13 ILE 66 3.127 -3.575 -4.234 501 HG13 ILE 66 HG12 ILE 66 3.530 -1.825 -4.200 502 HG21 ILE 66 HG21 ILE 66 5.062 -1.192 -2.170 503 HG22 ILE 66 HG22 ILE 66 6.307 -2.421 -2.304 504 HG23 ILE 66 HG23 ILE 66 5.318 -2.338 -0.881 505 HD11 ILE 66 HD11 ILE 66 5.881 -3.328 -4.548 506 HD12 ILE 66 HD12 ILE 66 5.022 -2.325 -5.725 507 HD13 ILE 66 HD13 ILE 66 4.615 -4.043 -5.606 508 H PHE 67 H PHE 67 2.948 -5.070 -0.537 509 HA PHE 67 HA PHE 67 4.868 -4.792 1.335 510 HB2 PHE 67 HB3 PHE 67 2.093 -5.950 1.536 511 HB3 PHE 67 HB2 PHE 67 3.129 -5.455 2.890 512 HD1 PHE 67 HD1 PHE 67 4.009 -2.981 2.665 513 HD2 PHE 67 HD2 PHE 67 0.557 -4.566 0.874 514 HE1 PHE 67 HE1 PHE 67 3.088 -0.664 2.425 515 HE2 PHE 67 HE2 PHE 67 -0.383 -2.267 0.624 516 HZ PHE 67 HZ PHE 67 0.880 -0.344 1.396 517 H GLU 68 H GLU 68 3.912 -7.658 -0.638 518 HA GLU 68 HA GLU 68 4.855 -9.671 1.188 519 HB2 GLU 68 HB3 GLU 68 3.186 -10.038 -0.597 520 HB3 GLU 68 HB2 GLU 68 4.317 -9.465 -1.787 521 HG2 GLU 68 HG3 GLU 68 5.760 -11.434 -1.232 522 HG3 GLU 68 HG2 GLU 68 4.465 -12.009 -0.185 523 H ILE 69 H ILE 69 6.033 -8.307 -1.819 524 HA ILE 69 HA ILE 69 8.437 -9.543 -1.746 525 HB ILE 69 HB ILE 69 9.208 -8.018 -3.445 526 HG12 ILE 69 HG13 ILE 69 6.579 -6.636 -3.000 527 HG13 ILE 69 HG12 ILE 69 8.157 -5.931 -2.647 528 HG21 ILE 69 HG21 ILE 69 6.837 -8.399 -4.743 529 HG22 ILE 69 HG22 ILE 69 6.774 -9.580 -3.428 530 HG23 ILE 69 HG23 ILE 69 8.111 -9.618 -4.576 531 HD11 ILE 69 HD11 ILE 69 7.953 -6.993 -5.255 532 HD12 ILE 69 HD12 ILE 69 8.516 -5.399 -4.736 533 HD13 ILE 69 HD13 ILE 69 6.766 -5.686 -4.974 534 H SER 70 H SER 70 7.640 -6.561 -0.242 535 HA SER 70 HA SER 70 10.378 -5.832 0.324 536 HB2 SER 70 HB3 SER 70 7.756 -4.797 1.456 537 HB3 SER 70 HB2 SER 70 9.345 -4.036 1.618 538 HG SER 70 HG SER 70 7.700 -4.334 -0.614 539 H ARG 71 H ARG 71 11.327 -6.166 2.407 540 HA ARG 71 HA ARG 71 10.228 -8.351 3.830 541 HB2 ARG 71 HB3 ARG 71 12.781 -6.868 4.248 542 HB3 ARG 71 HB2 ARG 71 12.248 -8.128 5.341 543 HG2 ARG 71 HG3 ARG 71 12.777 -8.394 2.425 544 HG3 ARG 71 HG2 ARG 71 13.818 -9.018 3.723 545 HD2 ARG 71 HD3 ARG 71 11.687 -10.371 4.423 546 HD3 ARG 71 HD2 ARG 71 11.082 -9.946 2.843 547 HE ARG 71 HE ARG 71 13.675 -11.030 2.655 548 HH11 ARG 71 HH11 ARG 71 10.258 -11.960 2.688 549 HH12 ARG 71 HH12 ARG 71 10.576 -13.613 2.393 550 HH21 ARG 71 HH22 ARG 71 14.079 -13.350 2.323 551 HH22 ARG 71 HH21 ARG 71 12.723 -14.378 2.208 552 H ARG 72 H ARG 72 8.360 -6.835 4.198 553 HA ARG 72 HA ARG 72 8.412 -6.075 7.005 554 HB2 ARG 72 HB3 ARG 72 9.030 -4.048 5.589 555 HB3 ARG 72 HB2 ARG 72 7.444 -4.145 4.864 556 HG2 ARG 72 HG3 ARG 72 7.568 -2.430 6.554 557 HG3 ARG 72 HG2 ARG 72 6.398 -3.666 6.982 558 HD2 ARG 72 HD3 ARG 72 7.840 -4.719 8.510 559 HD3 ARG 72 HD2 ARG 72 9.235 -3.781 7.942 560 HE ARG 72 HE ARG 72 7.568 -1.895 8.782 561 HH11 ARG 72 HH11 ARG 72 8.062 -4.855 10.581 562 HH12 ARG 72 HH12 ARG 72 8.732 -4.118 11.964 563 HH21 ARG 72 HH22 ARG 72 8.361 -0.820 10.627 564 HH22 ARG 72 HH21 ARG 72 8.844 -1.662 12.049 565 HA PRO 73 HA PRO 73 4.761 -8.508 5.071 566 HB2 PRO 73 HB2 PRO 73 5.302 -10.266 7.376 567 HB3 PRO 73 HB3 PRO 73 5.005 -10.677 5.670 568 HG2 PRO 73 HG3 PRO 73 7.432 -10.871 6.690 569 HG3 PRO 73 HG2 PRO 73 7.168 -10.246 5.056 570 HD2 PRO 73 HD3 PRO 73 7.698 -8.741 7.576 571 HD3 PRO 73 HD2 PRO 73 8.403 -8.518 5.955 572 H ASP 74 H ASP 74 5.322 -6.875 7.953 573 HA ASP 74 HA ASP 74 3.141 -7.683 9.590 574 HB2 ASP 74 HB3 ASP 74 4.573 -4.995 9.506 575 HB3 ASP 74 HB2 ASP 74 3.676 -5.692 10.860 576 H LEU 75 H LEU 75 3.787 -5.143 7.586 577 HA LEU 75 HA LEU 75 1.209 -3.887 7.497 578 HB2 LEU 75 HB3 LEU 75 3.471 -3.566 5.543 579 HB3 LEU 75 HB2 LEU 75 1.940 -2.714 5.383 580 HG LEU 75 HG LEU 75 2.389 -1.424 7.426 581 HD11 LEU 75 HD11 LEU 75 3.955 -3.490 8.280 582 HD12 LEU 75 HD12 LEU 75 4.027 -1.859 8.943 583 HD13 LEU 75 HD13 LEU 75 5.186 -2.367 7.708 584 HD21 LEU 75 HD21 LEU 75 4.736 -0.585 6.657 585 HD22 LEU 75 HD22 LEU 75 3.261 -0.271 5.744 586 HD23 LEU 75 HD23 LEU 75 4.351 -1.578 5.244 587 H LEU 76 H LEU 76 2.714 -5.909 5.340 588 HA LEU 76 HA LEU 76 0.742 -6.492 3.289 589 HB2 LEU 76 HB3 LEU 76 2.932 -7.883 3.335 590 HB3 LEU 76 HB2 LEU 76 2.090 -8.789 4.601 591 HG LEU 76 HG LEU 76 0.300 -9.254 3.113 592 HD11 LEU 76 HD11 LEU 76 1.190 -7.442 1.483 593 HD12 LEU 76 HD12 LEU 76 -0.118 -8.586 1.300 594 HD13 LEU 76 HD13 LEU 76 1.492 -8.959 0.639 595 HD21 LEU 76 HD21 LEU 76 1.191 -11.221 2.864 596 HD22 LEU 76 HD22 LEU 76 2.768 -10.561 3.289 597 HD23 LEU 76 HD23 LEU 76 2.281 -10.634 1.588 598 H THR 77 H THR 77 1.135 -8.134 6.167 599 HA THR 77 HA THR 77 -1.020 -9.799 6.351 600 HB THR 77 HB THR 77 0.193 -8.168 8.489 601 HG1 THR 77 HG1 THR 77 1.740 -9.550 7.646 602 HG21 THR 77 HG21 THR 77 -1.759 -8.850 9.334 603 HG22 THR 77 HG22 THR 77 -0.617 -10.081 9.957 604 HG23 THR 77 HG23 THR 77 -1.659 -10.436 8.534 605 H MET 78 H MET 78 -0.940 -6.501 7.275 606 HA MET 78 HA MET 78 -3.664 -6.364 8.077 607 HB2 MET 78 HB3 MET 78 -1.829 -4.121 7.277 608 HB3 MET 78 HB2 MET 78 -3.472 -3.894 7.899 609 HG2 MET 78 HG3 MET 78 -1.332 -5.398 9.340 610 HG3 MET 78 HG2 MET 78 -1.744 -3.681 9.669 611 HE1 MET 78 HE1 MET 78 -2.724 -6.193 12.559 612 HE2 MET 78 HE2 MET 78 -2.782 -4.440 12.631 613 HE3 MET 78 HE3 MET 78 -1.429 -5.260 11.830 614 H VAL 79 H VAL 79 -2.185 -5.954 4.929 615 HA VAL 79 HA VAL 79 -4.555 -5.004 3.640 616 HB VAL 79 HB VAL 79 -2.214 -6.509 2.448 617 HG11 VAL 79 HG11 VAL 79 -2.750 -5.647 0.341 618 HG12 VAL 79 HG12 VAL 79 -3.854 -4.444 1.018 619 HG13 VAL 79 HG13 VAL 79 -4.294 -6.150 1.040 620 HG21 VAL 79 HG21 VAL 79 -1.583 -3.949 1.872 621 HG22 VAL 79 HG22 VAL 79 -1.014 -4.857 3.278 622 HG23 VAL 79 HG23 VAL 79 -2.374 -3.760 3.449 623 H VAL 80 H VAL 80 -2.889 -8.111 3.878 624 HA VAL 80 HA VAL 80 -4.725 -9.791 2.582 625 HB VAL 80 HB VAL 80 -2.889 -10.409 4.962 626 HG11 VAL 80 HG11 VAL 80 -4.090 -12.382 3.016 627 HG12 VAL 80 HG12 VAL 80 -4.726 -12.043 4.617 628 HG13 VAL 80 HG13 VAL 80 -3.108 -12.727 4.457 629 HG21 VAL 80 HG21 VAL 80 -1.201 -10.148 3.506 630 HG22 VAL 80 HG22 VAL 80 -2.333 -9.879 2.183 631 HG23 VAL 80 HG23 VAL 80 -1.855 -11.516 2.613 632 H ASP 81 H ASP 81 -4.422 -9.157 5.823 633 HA ASP 81 HA ASP 81 -6.810 -10.302 6.646 634 HB2 ASP 81 HB3 ASP 81 -5.213 -8.445 8.358 635 HB3 ASP 81 HB2 ASP 81 -6.807 -8.976 8.883 636 H TYR 82 H TYR 82 -6.376 -7.117 5.747 637 HA TYR 82 HA TYR 82 -8.921 -5.969 6.191 638 HB2 TYR 82 HB3 TYR 82 -7.306 -4.594 5.257 639 HB3 TYR 82 HB2 TYR 82 -7.012 -5.699 3.899 640 HD1 TYR 82 HD2 TYR 82 -9.732 -3.555 5.378 641 HD2 TYR 82 HD1 TYR 82 -7.926 -5.280 1.967 642 HE1 TYR 82 HE2 TYR 82 -11.271 -2.344 3.965 643 HE2 TYR 82 HE1 TYR 82 -9.442 -4.084 0.510 644 HH TYR 82 HH TYR 82 -11.263 -2.840 0.430 645 H ARG 83 H ARG 83 -7.737 -7.818 3.472 646 HA ARG 83 HA ARG 83 -10.038 -7.902 1.974 647 HB2 ARG 83 HB3 ARG 83 -8.113 -8.314 0.855 648 HB3 ARG 83 HB2 ARG 83 -7.468 -9.350 2.093 649 HG2 ARG 83 HG3 ARG 83 -9.738 -10.257 0.462 650 HG3 ARG 83 HG2 ARG 83 -8.103 -10.257 -0.288 651 HD2 ARG 83 HD3 ARG 83 -7.515 -11.593 1.846 652 HD3 ARG 83 HD2 ARG 83 -9.246 -11.781 2.072 653 HE ARG 83 HE ARG 83 -9.231 -13.364 0.476 654 HH11 ARG 83 HH11 ARG 83 -6.254 -11.380 -0.001 655 HH12 ARG 83 HH12 ARG 83 -5.801 -12.125 -1.449 656 HH21 ARG 83 HH22 ARG 83 -8.472 -14.458 -1.566 657 HH22 ARG 83 HH21 ARG 83 -7.049 -13.916 -2.322 658 H THR 84 H THR 84 -8.858 -10.039 4.213 659 HA THR 84 HA THR 84 -10.968 -11.957 4.226 660 HB THR 84 HB THR 84 -9.101 -11.203 6.426 661 HG1 THR 84 HG1 THR 84 -7.634 -12.256 5.315 662 HG21 THR 84 HG21 THR 84 -10.229 -13.848 5.931 663 HG22 THR 84 HG22 THR 84 -11.188 -12.558 6.692 664 HG23 THR 84 HG23 THR 84 -9.661 -13.084 7.478 665 H ARG 85 H ARG 85 -10.281 -9.780 6.533 666 HA ARG 85 HA ARG 85 -12.374 -9.773 8.220 667 HB2 ARG 85 HB3 ARG 85 -11.972 -7.570 9.282 668 HB3 ARG 85 HB2 ARG 85 -10.437 -8.311 8.868 669 HG2 ARG 85 HG3 ARG 85 -10.338 -6.836 6.859 670 HG3 ARG 85 HG2 ARG 85 -11.801 -6.027 7.412 671 HD2 ARG 85 HD3 ARG 85 -10.717 -5.506 9.473 672 HD3 ARG 85 HD2 ARG 85 -9.214 -6.265 8.887 673 HE ARG 85 HE ARG 85 -10.233 -4.102 7.212 674 HH11 ARG 85 HH11 ARG 85 -7.883 -4.743 9.857 675 HH12 ARG 85 HH12 ARG 85 -7.299 -3.137 9.853 676 HH21 ARG 85 HH22 ARG 85 -9.322 -1.767 7.397 677 HH22 ARG 85 HH21 ARG 85 -8.071 -1.555 8.556 678 H VAL 86 H VAL 86 -12.115 -7.663 5.853 679 HA VAL 86 HA VAL 86 -14.669 -6.551 5.876 680 HB VAL 86 HB VAL 86 -12.796 -6.574 3.517 681 HG11 VAL 86 HG11 VAL 86 -15.542 -5.946 3.441 682 HG12 VAL 86 HG12 VAL 86 -14.371 -5.481 2.210 683 HG13 VAL 86 HG13 VAL 86 -14.755 -4.379 3.534 684 HG21 VAL 86 HG21 VAL 86 -13.165 -4.003 4.593 685 HG22 VAL 86 HG22 VAL 86 -11.751 -5.054 4.703 686 HG23 VAL 86 HG23 VAL 86 -12.983 -5.104 5.961 687 H LEU 87 H LEU 87 -13.407 -9.347 4.216 688 HA LEU 87 HA LEU 87 -15.519 -10.132 2.526 689 HB2 LEU 87 HB3 LEU 87 -13.102 -10.901 2.639 690 HB3 LEU 87 HB2 LEU 87 -13.445 -11.645 4.144 691 HG LEU 87 HG LEU 87 -13.150 -13.281 2.437 692 HD11 LEU 87 HD11 LEU 87 -16.057 -13.531 2.786 693 HD12 LEU 87 HD12 LEU 87 -15.003 -13.497 4.220 694 HD13 LEU 87 HD13 LEU 87 -14.745 -14.705 2.975 695 HD21 LEU 87 HD21 LEU 87 -13.617 -12.035 0.544 696 HD22 LEU 87 HD22 LEU 87 -15.316 -11.826 0.975 697 HD23 LEU 87 HD23 LEU 87 -14.707 -13.434 0.526 698 H LYS 88 H LYS 88 -14.595 -10.904 5.812 699 HA LYS 88 HA LYS 88 -16.640 -12.551 6.614 700 HB2 LYS 88 HB3 LYS 88 -14.402 -12.211 7.723 701 HB3 LYS 88 HB2 LYS 88 -14.978 -10.678 8.321 702 HG2 LYS 88 HG3 LYS 88 -16.153 -13.333 9.081 703 HG3 LYS 88 HG2 LYS 88 -14.862 -12.510 9.970 704 HD2 LYS 88 HD3 LYS 88 -16.440 -10.659 10.425 705 HD3 LYS 88 HD2 LYS 88 -17.683 -11.552 9.530 706 HE2 LYS 88 HE3 LYS 88 -17.937 -11.879 11.937 707 HE3 LYS 88 HE2 LYS 88 -17.541 -13.375 11.092 708 HZ1 LYS 88 HZ1 LYS 88 -15.238 -11.909 12.138 709 HZ2 LYS 88 HZ2 LYS 88 -15.560 -13.558 12.133 710 HZ3 LYS 88 HZ3 LYS 88 -16.243 -12.570 13.292 711 H ILE 89 H ILE 89 -16.449 -9.025 6.654 712 HA ILE 89 HA ILE 89 -18.751 -8.540 8.189 713 HB ILE 89 HB ILE 89 -17.021 -7.187 6.251 714 HG12 ILE 89 HG13 ILE 89 -17.324 -6.733 9.216 715 HG13 ILE 89 HG12 ILE 89 -15.984 -7.494 8.347 716 HG21 ILE 89 HG21 ILE 89 -19.161 -6.266 5.909 717 HG22 ILE 89 HG22 ILE 89 -18.103 -5.021 6.584 718 HG23 ILE 89 HG23 ILE 89 -19.345 -5.784 7.607 719 HD11 ILE 89 HD11 ILE 89 -15.944 -4.960 9.222 720 HD12 ILE 89 HD12 ILE 89 -16.621 -4.695 7.627 721 HD13 ILE 89 HD13 ILE 89 -15.053 -5.487 7.796 722 H SER 90 H SER 90 -17.941 -8.719 4.766 723 HA SER 90 HA SER 90 -20.683 -8.280 3.947 724 HB2 SER 90 HB3 SER 90 -18.217 -8.993 2.392 725 HB3 SER 90 HB2 SER 90 -19.748 -8.398 1.717 726 HG SER 90 HG SER 90 -18.822 -6.791 3.646 Start of MODEL 19 1 H1 MET 1 H MET 1 -16.348 2.190 1.648 2 H2 MET 1 H2 MET 1 -15.873 1.206 0.393 3 H3 MET 1 H3 MET 1 -15.366 0.885 1.943 4 HA MET 1 HA MET 1 -13.687 1.992 0.414 5 HB2 MET 1 HB3 MET 1 -15.529 4.302 1.002 6 HB3 MET 1 HB2 MET 1 -13.899 4.517 0.393 7 HG2 MET 1 HG3 MET 1 -14.481 3.280 -1.620 8 HG3 MET 1 HG2 MET 1 -16.124 3.054 -1.004 9 HE1 MET 1 HE1 MET 1 -13.441 5.697 -2.180 10 HE2 MET 1 HE2 MET 1 -13.934 6.366 -0.625 11 HE3 MET 1 HE3 MET 1 -14.371 7.197 -2.121 12 H ALA 2 H ALA 2 -15.305 3.049 3.227 13 HA ALA 2 HA ALA 2 -13.119 4.385 4.485 14 HB1 ALA 2 HB1 ALA 2 -15.121 3.110 6.327 15 HB2 ALA 2 HB2 ALA 2 -15.645 4.414 5.268 16 HB3 ALA 2 HB3 ALA 2 -14.370 4.697 6.443 17 H GLU 3 H GLU 3 -14.201 1.212 5.396 18 HA GLU 3 HA GLU 3 -12.342 0.385 7.036 19 HB2 GLU 3 HB3 GLU 3 -13.043 -1.344 4.641 20 HB3 GLU 3 HB2 GLU 3 -12.462 -1.913 6.176 21 HG2 GLU 3 HG3 GLU 3 -14.797 -2.480 5.979 22 HG3 GLU 3 HG2 GLU 3 -14.633 -1.234 7.183 23 H TYR 4 H TYR 4 -12.145 0.363 3.892 24 HA TYR 4 HA TYR 4 -9.447 -0.477 3.301 25 HB2 TYR 4 HB3 TYR 4 -11.039 -0.371 1.414 26 HB3 TYR 4 HB2 TYR 4 -10.886 1.405 1.384 27 HD1 TYR 4 HD1 TYR 4 -8.548 -1.461 1.658 28 HD2 TYR 4 HD2 TYR 4 -9.617 2.004 -0.596 29 HE1 TYR 4 HE1 TYR 4 -6.646 -1.854 0.205 30 HE2 TYR 4 HE2 TYR 4 -7.668 1.611 -2.065 31 HH TYR 4 HH TYR 4 -6.271 -0.544 -2.721 32 H GLY 5 H GLY 5 -10.871 2.597 3.501 33 HA2 GLY 5 HA3 GLY 5 -8.729 4.426 3.209 34 HA3 GLY 5 HA2 GLY 5 -10.089 4.756 4.271 35 H THR 6 H THR 6 -9.821 2.909 6.319 36 HA THR 6 HA THR 6 -7.665 3.872 7.865 37 HB THR 6 HB THR 6 -9.429 1.478 8.169 38 HG1 THR 6 HG1 THR 6 -9.959 4.116 8.108 39 HG21 THR 6 HG21 THR 6 -8.338 3.232 10.282 40 HG22 THR 6 HG22 THR 6 -7.372 1.918 9.594 41 HG23 THR 6 HG23 THR 6 -8.921 1.551 10.406 42 H LEU 7 H LEU 7 -8.265 0.939 6.288 43 HA LEU 7 HA LEU 7 -6.051 -0.692 6.883 44 HB2 LEU 7 HB3 LEU 7 -7.582 -1.530 5.212 45 HB3 LEU 7 HB2 LEU 7 -7.059 -0.300 4.067 46 HG LEU 7 HG LEU 7 -4.845 -1.343 4.043 47 HD11 LEU 7 HD11 LEU 7 -5.794 -3.869 5.082 48 HD12 LEU 7 HD12 LEU 7 -5.525 -2.596 6.282 49 HD13 LEU 7 HD13 LEU 7 -4.221 -3.100 5.194 50 HD21 LEU 7 HD21 LEU 7 -5.541 -2.287 2.225 51 HD22 LEU 7 HD22 LEU 7 -7.195 -2.083 2.773 52 HD23 LEU 7 HD23 LEU 7 -6.314 -3.594 3.105 53 H LEU 8 H LEU 8 -6.045 1.469 4.428 54 HA LEU 8 HA LEU 8 -3.249 1.586 3.729 55 HB2 LEU 8 HB3 LEU 8 -5.187 3.895 3.374 56 HB3 LEU 8 HB2 LEU 8 -3.494 3.877 2.924 57 HG LEU 8 HG LEU 8 -3.844 2.286 1.170 58 HD11 LEU 8 HD11 LEU 8 -6.494 1.761 0.921 59 HD12 LEU 8 HD12 LEU 8 -6.226 1.647 2.650 60 HD13 LEU 8 HD13 LEU 8 -5.272 0.652 1.559 61 HD21 LEU 8 HD21 LEU 8 -5.349 3.434 -0.284 62 HD22 LEU 8 HD22 LEU 8 -4.532 4.626 0.721 63 HD23 LEU 8 HD23 LEU 8 -6.182 4.188 1.083 64 H GLN 9 H GLN 9 -5.055 3.354 6.049 65 HA GLN 9 HA GLN 9 -2.989 4.982 7.006 66 HB2 GLN 9 HB3 GLN 9 -5.060 5.961 7.044 67 HB3 GLN 9 HB2 GLN 9 -5.840 4.466 7.553 68 HG2 GLN 9 HG3 GLN 9 -5.485 4.732 9.528 69 HG3 GLN 9 HG2 GLN 9 -3.990 5.746 9.485 70 HE21 GLN 9 HE22 GLN 9 -4.338 7.848 9.598 71 HE22 GLN 9 HE21 GLN 9 -5.865 8.640 9.741 72 H ASP 10 H ASP 10 -4.053 2.089 7.735 73 HA ASP 10 HA ASP 10 -3.023 1.869 10.433 74 HB2 ASP 10 HB3 ASP 10 -4.522 -0.241 8.942 75 HB3 ASP 10 HB2 ASP 10 -3.551 -0.634 10.351 76 H LEU 11 H LEU 11 -2.063 0.772 7.288 77 HA LEU 11 HA LEU 11 0.244 -0.449 8.388 78 HB2 LEU 11 HB3 LEU 11 0.913 -0.914 6.125 79 HB3 LEU 11 HB2 LEU 11 -0.680 -1.586 6.486 80 HG LEU 11 HG LEU 11 -1.465 0.559 5.263 81 HD11 LEU 11 HD11 LEU 11 1.287 0.833 5.162 82 HD12 LEU 11 HD12 LEU 11 0.070 1.839 4.395 83 HD13 LEU 11 HD13 LEU 11 0.788 0.486 3.504 84 HD21 LEU 11 HD21 LEU 11 -1.771 -0.730 3.347 85 HD22 LEU 11 HD22 LEU 11 -1.520 -1.955 4.607 86 HD23 LEU 11 HD23 LEU 11 -0.198 -1.505 3.511 87 H THR 12 H THR 12 -0.786 2.397 7.185 88 HA THR 12 HA THR 12 1.645 3.834 6.775 89 HB THR 12 HB THR 12 -1.178 4.618 7.076 90 HG1 THR 12 HG1 THR 12 -0.846 3.968 5.149 91 HG21 THR 12 HG21 THR 12 0.080 6.796 6.069 92 HG22 THR 12 HG22 THR 12 1.007 6.342 7.549 93 HG23 THR 12 HG23 THR 12 -0.769 6.583 7.663 94 H ASN 13 H ASN 13 -0.374 3.193 9.521 95 HA ASN 13 HA ASN 13 0.857 4.984 11.406 96 HB2 ASN 13 HB3 ASN 13 -0.524 2.332 12.023 97 HB3 ASN 13 HB2 ASN 13 0.034 3.453 13.236 98 HD21 ASN 13 HD22 ASN 13 -2.612 2.313 12.101 99 HD22 ASN 13 HD21 ASN 13 -3.664 3.658 12.003 100 H ASN 14 H ASN 14 1.557 1.872 10.213 101 HA ASN 14 HA ASN 14 3.812 1.489 12.011 102 HB2 ASN 14 HB3 ASN 14 2.797 -0.258 9.729 103 HB3 ASN 14 HB2 ASN 14 4.147 -0.655 10.771 104 HD21 ASN 14 HD22 ASN 14 0.947 -1.083 10.303 105 HD22 ASN 14 HD21 ASN 14 0.495 -1.641 11.865 106 H ILE 15 H ILE 15 3.223 2.837 8.964 107 HA ILE 15 HA ILE 15 5.706 2.284 7.759 108 HB ILE 15 HB ILE 15 3.378 4.030 7.086 109 HG12 ILE 15 HG13 ILE 15 3.350 1.650 6.559 110 HG13 ILE 15 HG12 ILE 15 3.216 2.657 5.126 111 HG21 ILE 15 HG21 ILE 15 4.494 5.499 5.916 112 HG22 ILE 15 HG22 ILE 15 4.929 4.175 4.830 113 HG23 ILE 15 HG23 ILE 15 6.025 4.630 6.143 114 HD11 ILE 15 HD11 ILE 15 5.977 2.033 5.777 115 HD12 ILE 15 HD12 ILE 15 5.082 1.912 4.268 116 HD13 ILE 15 HD13 ILE 15 5.014 0.586 5.454 117 H THR 16 H THR 16 7.571 3.241 8.346 118 HA THR 16 HA THR 16 7.709 5.944 9.305 119 HB THR 16 HB THR 16 10.050 5.514 9.561 120 HG1 THR 16 HG1 THR 16 10.029 2.809 8.950 121 HG21 THR 16 HG21 THR 16 8.677 3.077 10.488 122 HG22 THR 16 HG22 THR 16 8.447 4.694 11.216 123 HG23 THR 16 HG23 THR 16 10.075 3.947 11.234 124 H LEU 17 H LEU 17 9.137 7.091 8.216 125 HA LEU 17 HA LEU 17 8.871 7.398 5.400 126 HB2 LEU 17 HB3 LEU 17 9.934 9.194 6.717 127 HB3 LEU 17 HB2 LEU 17 11.366 8.212 6.927 128 HG LEU 17 HG LEU 17 11.806 8.327 4.488 129 HD11 LEU 17 HD11 LEU 17 9.958 8.657 3.273 130 HD12 LEU 17 HD12 LEU 17 10.391 10.357 3.464 131 HD13 LEU 17 HD13 LEU 17 9.174 9.642 4.506 132 HD21 LEU 17 HD21 LEU 17 11.655 10.716 6.222 133 HD22 LEU 17 HD22 LEU 17 12.003 10.988 4.516 134 HD23 LEU 17 HD23 LEU 17 13.065 9.962 5.478 135 H GLU 18 H GLU 18 11.465 5.784 7.121 136 HA GLU 18 HA GLU 18 12.677 4.715 4.782 137 HB2 GLU 18 HB3 GLU 18 13.104 3.757 7.610 138 HB3 GLU 18 HB2 GLU 18 14.028 3.222 6.215 139 HG2 GLU 18 HG3 GLU 18 14.713 5.529 5.772 140 HG3 GLU 18 HG2 GLU 18 13.851 6.064 7.200 141 H ASP 19 H ASP 19 10.563 3.110 6.990 142 HA ASP 19 HA ASP 19 10.347 0.583 5.643 143 HB2 ASP 19 HB3 ASP 19 8.131 2.083 7.147 144 HB3 ASP 19 HB2 ASP 19 7.885 0.468 6.492 145 H LEU 20 H LEU 20 8.216 3.360 5.121 146 HA LEU 20 HA LEU 20 7.063 2.463 2.833 147 HB2 LEU 20 HB3 LEU 20 6.694 4.817 3.885 148 HB3 LEU 20 HB2 LEU 20 8.089 5.217 2.845 149 HG LEU 20 HG LEU 20 6.975 4.415 0.932 150 HD11 LEU 20 HD11 LEU 20 4.520 4.072 0.946 151 HD12 LEU 20 HD12 LEU 20 4.554 4.073 2.705 152 HD13 LEU 20 HD13 LEU 20 5.388 2.816 1.822 153 HD21 LEU 20 HD21 LEU 20 5.854 6.650 2.539 154 HD22 LEU 20 HD22 LEU 20 5.248 6.306 0.919 155 HD23 LEU 20 HD23 LEU 20 6.945 6.693 1.145 156 H GLU 21 H GLU 21 10.168 4.006 3.114 157 HA GLU 21 HA GLU 21 10.635 4.061 0.352 158 HB2 GLU 21 HB3 GLU 21 12.749 4.180 2.515 159 HB3 GLU 21 HB2 GLU 21 13.101 4.323 0.786 160 HG2 GLU 21 HG3 GLU 21 11.514 6.235 0.703 161 HG3 GLU 21 HG2 GLU 21 11.389 6.113 2.454 162 H GLN 22 H GLN 22 11.070 1.752 2.561 163 HA GLN 22 HA GLN 22 12.504 -0.198 1.013 164 HB2 GLN 22 HB3 GLN 22 12.020 -0.470 3.499 165 HB3 GLN 22 HB2 GLN 22 10.372 -0.914 3.035 166 HG2 GLN 22 HG3 GLN 22 11.511 -3.009 3.306 167 HG3 GLN 22 HG2 GLN 22 11.419 -2.623 1.570 168 HE21 GLN 22 HE22 GLN 22 13.046 -3.105 0.524 169 HE22 GLN 22 HE21 GLN 22 14.689 -2.880 1.066 170 H LEU 23 H LEU 23 8.946 0.387 1.470 171 HA LEU 23 HA LEU 23 8.045 -1.489 -0.324 172 HB2 LEU 23 HB3 LEU 23 6.942 1.217 0.425 173 HB3 LEU 23 HB2 LEU 23 6.064 -0.046 -0.417 174 HG LEU 23 HG LEU 23 7.095 -0.152 2.385 175 HD11 LEU 23 HD11 LEU 23 4.315 0.031 1.316 176 HD12 LEU 23 HD12 LEU 23 5.211 1.403 1.957 177 HD13 LEU 23 HD13 LEU 23 4.782 0.050 3.016 178 HD21 LEU 23 HD21 LEU 23 5.848 -2.212 2.580 179 HD22 LEU 23 HD22 LEU 23 7.057 -2.345 1.302 180 HD23 LEU 23 HD23 LEU 23 5.369 -2.103 0.884 181 H LYS 24 H LYS 24 8.910 1.762 -0.575 182 HA LYS 24 HA LYS 24 8.296 2.171 -3.359 183 HB2 LYS 24 HB3 LYS 24 10.477 3.716 -1.872 184 HB3 LYS 24 HB2 LYS 24 9.759 4.187 -3.401 185 HG2 LYS 24 HG3 LYS 24 7.509 4.376 -2.168 186 HG3 LYS 24 HG2 LYS 24 8.403 4.167 -0.672 187 HD2 LYS 24 HD3 LYS 24 8.822 6.408 -2.645 188 HD3 LYS 24 HD2 LYS 24 7.965 6.507 -1.109 189 HE2 LYS 24 HE3 LYS 24 10.062 5.906 0.044 190 HE3 LYS 24 HE2 LYS 24 10.886 5.886 -1.509 191 HZ1 LYS 24 HZ1 LYS 24 10.376 8.241 -1.771 192 HZ2 LYS 24 HZ2 LYS 24 11.224 7.955 -0.328 193 HZ3 LYS 24 HZ3 LYS 24 9.560 8.244 -0.281 194 H SER 25 H SER 25 10.939 1.397 -1.925 195 HA SER 25 HA SER 25 12.912 0.750 -3.920 196 HB2 SER 25 HB3 SER 25 12.759 -0.846 -1.304 197 HB3 SER 25 HB2 SER 25 14.126 -0.890 -2.417 198 HG SER 25 HG SER 25 13.141 1.324 -0.957 199 H ALA 26 H ALA 26 10.764 -1.210 -2.456 200 HA ALA 26 HA ALA 26 10.897 -3.478 -4.222 201 HB1 ALA 26 HB1 ALA 26 9.214 -2.701 -2.029 202 HB2 ALA 26 HB2 ALA 26 9.549 -4.319 -2.647 203 HB3 ALA 26 HB3 ALA 26 8.226 -3.366 -3.331 204 H CYS 27 H CYS 27 8.711 -0.647 -4.197 205 HA CYS 27 HA CYS 27 7.389 -1.286 -6.597 206 HB2 CYS 27 HB3 CYS 27 7.691 1.380 -5.314 207 HB3 CYS 27 HB2 CYS 27 6.560 0.831 -6.551 208 HG CYS 27 HG CYS 27 4.889 -0.425 -4.991 209 H LYS 28 H LYS 28 10.510 -0.262 -6.346 210 HA LYS 28 HA LYS 28 10.854 2.058 -7.579 211 HB2 LYS 28 HB3 LYS 28 13.127 1.246 -8.287 212 HB3 LYS 28 HB2 LYS 28 12.681 0.794 -6.638 213 HG2 LYS 28 HG3 LYS 28 12.099 -1.433 -7.381 214 HG3 LYS 28 HG2 LYS 28 12.506 -1.002 -9.040 215 HD2 LYS 28 HD3 LYS 28 14.479 -1.001 -6.752 216 HD3 LYS 28 HD2 LYS 28 14.279 -2.329 -7.891 217 HE2 LYS 28 HE3 LYS 28 15.100 0.492 -8.578 218 HE3 LYS 28 HE2 LYS 28 16.176 -0.907 -8.455 219 HZ1 LYS 28 HZ1 LYS 28 14.429 -0.128 -10.607 220 HZ2 LYS 28 HZ2 LYS 28 14.316 -1.793 -10.223 221 HZ3 LYS 28 HZ3 LYS 28 15.792 -1.149 -10.629 222 H GLU 29 H GLU 29 10.420 -0.917 -9.271 223 HA GLU 29 HA GLU 29 10.606 0.323 -11.805 224 HB2 GLU 29 HB3 GLU 29 10.082 -2.457 -10.969 225 HB3 GLU 29 HB2 GLU 29 10.122 -1.952 -12.676 226 HG2 GLU 29 HG3 GLU 29 12.345 -1.019 -12.420 227 HG3 GLU 29 HG2 GLU 29 12.358 -1.371 -10.719 228 H ASP 30 H ASP 30 7.899 -0.633 -9.790 229 HA ASP 30 HA ASP 30 6.090 -0.143 -11.989 230 HB2 ASP 30 HB3 ASP 30 5.479 -0.970 -9.159 231 HB3 ASP 30 HB2 ASP 30 4.253 -0.562 -10.350 232 H ILE 31 H ILE 31 6.834 1.525 -8.994 233 HA ILE 31 HA ILE 31 5.014 3.588 -9.933 234 HB ILE 31 HB ILE 31 4.881 2.702 -7.491 235 HG12 ILE 31 HG13 ILE 31 3.911 4.917 -8.099 236 HG13 ILE 31 HG12 ILE 31 4.438 4.803 -6.426 237 HG21 ILE 31 HG21 ILE 31 6.466 2.895 -6.029 238 HG22 ILE 31 HG22 ILE 31 6.961 4.488 -6.577 239 HG23 ILE 31 HG23 ILE 31 7.526 3.020 -7.422 240 HD11 ILE 31 HD11 ILE 31 5.017 6.852 -8.101 241 HD12 ILE 31 HD12 ILE 31 6.444 5.799 -8.247 242 HD13 ILE 31 HD13 ILE 31 5.916 6.401 -6.644 243 HA PRO 32 HA PRO 32 8.321 5.267 -11.828 244 HB2 PRO 32 HB2 PRO 32 7.615 8.012 -11.815 245 HB3 PRO 32 HB3 PRO 32 7.248 6.769 -13.033 246 HG2 PRO 32 HG3 PRO 32 5.629 7.736 -10.755 247 HG3 PRO 32 HG2 PRO 32 5.118 7.246 -12.404 248 HD2 PRO 32 HD3 PRO 32 4.759 5.738 -10.265 249 HD3 PRO 32 HD2 PRO 32 5.136 5.028 -11.864 250 H SER 33 H SER 33 10.135 6.013 -11.520 251 HA SER 33 HA SER 33 11.495 6.369 -9.049 252 HB2 SER 33 HB3 SER 33 12.764 5.895 -11.180 253 HB3 SER 33 HB2 SER 33 12.447 7.540 -11.704 254 HG SER 33 HG SER 33 14.470 6.668 -10.303 255 H GLU 34 H GLU 34 10.633 8.714 -11.308 256 HA GLU 34 HA GLU 34 10.987 11.246 -10.331 257 HB2 GLU 34 HB3 GLU 34 9.861 10.687 -12.444 258 HB3 GLU 34 HB2 GLU 34 8.438 10.215 -11.548 259 HG2 GLU 34 HG3 GLU 34 8.205 12.532 -10.785 260 HG3 GLU 34 HG2 GLU 34 9.562 12.992 -11.840 261 H LYS 35 H LYS 35 8.409 9.338 -9.774 262 HA LYS 35 HA LYS 35 7.161 10.972 -7.836 263 HB2 LYS 35 HB3 LYS 35 6.349 8.237 -8.737 264 HB3 LYS 35 HB2 LYS 35 5.352 9.261 -7.686 265 HG2 LYS 35 HG3 LYS 35 6.376 10.013 -10.394 266 HG3 LYS 35 HG2 LYS 35 4.733 9.399 -10.047 267 HD2 LYS 35 HD3 LYS 35 4.405 11.251 -8.526 268 HD3 LYS 35 HD2 LYS 35 6.014 11.855 -8.827 269 HE2 LYS 35 HE3 LYS 35 5.393 12.347 -11.134 270 HE3 LYS 35 HE2 LYS 35 3.749 11.762 -10.813 271 HZ1 LYS 35 HZ1 LYS 35 4.955 14.274 -10.120 272 HZ2 LYS 35 HZ2 LYS 35 4.337 13.500 -8.776 273 HZ3 LYS 35 HZ3 LYS 35 3.313 13.863 -10.072 274 H SER 36 H SER 36 8.662 7.836 -7.431 275 HA SER 36 HA SER 36 8.355 7.498 -4.720 276 HB2 SER 36 HB3 SER 36 9.383 5.826 -6.101 277 HB3 SER 36 HB2 SER 36 10.813 6.827 -6.386 278 HG SER 36 HG SER 36 11.428 5.540 -4.792 279 H GLU 37 H GLU 37 10.241 9.714 -6.252 280 HA GLU 37 HA GLU 37 11.991 10.734 -4.167 281 HB2 GLU 37 HB3 GLU 37 10.926 12.106 -6.635 282 HB3 GLU 37 HB2 GLU 37 11.963 12.912 -5.486 283 HG2 GLU 37 HG3 GLU 37 12.723 10.359 -6.857 284 HG3 GLU 37 HG2 GLU 37 13.105 11.954 -7.531 285 H GLU 38 H GLU 38 8.958 11.675 -5.255 286 HA GLU 38 HA GLU 38 8.545 13.666 -3.163 287 HB2 GLU 38 HB3 GLU 38 6.415 14.355 -4.035 288 HB3 GLU 38 HB2 GLU 38 7.636 14.289 -5.298 289 HG2 GLU 38 HG3 GLU 38 6.616 12.069 -5.961 290 HG3 GLU 38 HG2 GLU 38 5.337 12.426 -4.817 291 H ILE 39 H ILE 39 7.705 10.522 -3.367 292 HA ILE 39 HA ILE 39 5.487 10.473 -1.571 293 HB ILE 39 HB ILE 39 7.271 8.187 -2.412 294 HG12 ILE 39 HG13 ILE 39 4.615 9.071 -3.488 295 HG13 ILE 39 HG12 ILE 39 6.164 9.364 -4.291 296 HG21 ILE 39 HG21 ILE 39 6.010 6.903 -1.107 297 HG22 ILE 39 HG22 ILE 39 4.565 7.534 -1.911 298 HG23 ILE 39 HG23 ILE 39 5.202 8.356 -0.489 299 HD11 ILE 39 HD11 ILE 39 4.796 7.455 -5.083 300 HD12 ILE 39 HD12 ILE 39 5.216 6.628 -3.560 301 HD13 ILE 39 HD13 ILE 39 6.497 7.146 -4.681 302 H THR 40 H THR 40 6.763 11.814 0.002 303 HA THR 40 HA THR 40 8.553 10.370 1.765 304 HB THR 40 HB THR 40 9.142 12.587 1.144 305 HG1 THR 40 HG1 THR 40 8.471 12.231 3.848 306 HG21 THR 40 HG21 THR 40 7.594 14.514 1.999 307 HG22 THR 40 HG22 THR 40 6.386 13.205 2.007 308 HG23 THR 40 HG23 THR 40 7.224 13.578 0.514 309 H THR 41 H THR 41 5.615 9.730 1.714 310 HA THR 41 HA THR 41 5.457 9.076 4.356 311 HB THR 41 HB THR 41 4.707 11.176 4.882 312 HG1 THR 41 HG1 THR 41 2.939 10.682 6.017 313 HG21 THR 41 HG21 THR 41 3.434 12.564 3.654 314 HG22 THR 41 HG22 THR 41 2.123 11.393 3.626 315 HG23 THR 41 HG23 THR 41 3.425 11.302 2.427 316 H GLY 42 H GLY 42 3.652 7.739 4.952 317 HA2 GLY 42 HA3 GLY 42 3.387 5.746 2.923 318 HA3 GLY 42 HA2 GLY 42 2.488 5.712 4.436 319 H SER 43 H SER 43 0.765 7.986 4.376 320 HA SER 43 HA SER 43 -1.156 7.425 2.748 321 HB2 SER 43 HB3 SER 43 -0.233 10.073 3.872 322 HB3 SER 43 HB2 SER 43 -1.880 9.659 3.413 323 HG SER 43 HG SER 43 -1.271 9.431 5.719 324 H ALA 44 H ALA 44 1.521 9.517 2.280 325 HA ALA 44 HA ALA 44 0.807 10.928 -0.078 326 HB1 ALA 44 HB1 ALA 44 3.418 10.375 1.117 327 HB2 ALA 44 HB2 ALA 44 2.819 11.848 0.342 328 HB3 ALA 44 HB3 ALA 44 3.479 10.534 -0.639 329 H TRP 45 H TRP 45 2.517 7.849 0.117 330 HA TRP 45 HA TRP 45 2.530 7.337 -2.652 331 HB2 TRP 45 HB3 TRP 45 3.904 6.121 -0.907 332 HB3 TRP 45 HB2 TRP 45 2.415 5.352 -0.399 333 HD1 TRP 45 HD1 TRP 45 3.664 5.793 -4.093 334 HE1 TRP 45 HE1 TRP 45 3.718 3.427 -5.077 335 HE3 TRP 45 HE3 TRP 45 2.406 3.069 0.062 336 HZ2 TRP 45 HZ2 TRP 45 3.313 0.844 -4.266 337 HZ3 TRP 45 HZ3 TRP 45 2.285 0.633 -0.165 338 HH2 TRP 45 HH2 TRP 45 2.752 -0.411 -2.345 339 H PHE 46 H PHE 46 0.325 6.175 -0.193 340 HA PHE 46 HA PHE 46 -1.335 4.902 -2.024 341 HB2 PHE 46 HB3 PHE 46 -2.209 6.353 0.464 342 HB3 PHE 46 HB2 PHE 46 -3.217 5.278 -0.488 343 HD1 PHE 46 HD1 PHE 46 -2.002 3.008 -1.043 344 HD2 PHE 46 HD2 PHE 46 -1.300 5.447 2.366 345 HE1 PHE 46 HE1 PHE 46 -1.344 1.046 0.206 346 HE2 PHE 46 HE2 PHE 46 -0.689 3.462 3.643 347 HZ PHE 46 HZ PHE 46 -0.686 1.222 2.477 348 H SER 47 H SER 47 -1.633 7.962 -0.842 349 HA SER 47 HA SER 47 -3.718 8.954 -2.518 350 HB2 SER 47 HB3 SER 47 -1.573 10.616 -1.239 351 HB3 SER 47 HB2 SER 47 -3.061 11.275 -1.942 352 HG SER 47 HG SER 47 -3.999 9.525 -0.432 353 H PHE 48 H PHE 48 -0.350 8.774 -3.309 354 HA PHE 48 HA PHE 48 -0.541 10.225 -5.792 355 HB2 PHE 48 HB3 PHE 48 1.633 9.833 -4.806 356 HB3 PHE 48 HB2 PHE 48 1.343 8.091 -4.787 357 HD1 PHE 48 HD1 PHE 48 1.280 10.929 -7.241 358 HD2 PHE 48 HD2 PHE 48 2.184 6.883 -6.386 359 HE1 PHE 48 HE1 PHE 48 2.060 10.645 -9.511 360 HE2 PHE 48 HE2 PHE 48 3.011 6.576 -8.679 361 HZ PHE 48 HZ PHE 48 2.939 8.460 -10.259 362 H LEU 49 H LEU 49 -0.355 6.751 -4.858 363 HA LEU 49 HA LEU 49 -0.702 5.536 -7.218 364 HB2 LEU 49 HB3 LEU 49 -0.083 4.942 -4.843 365 HB3 LEU 49 HB2 LEU 49 -1.811 4.678 -4.601 366 HG LEU 49 HG LEU 49 -1.621 2.565 -6.114 367 HD11 LEU 49 HD11 LEU 49 1.226 2.861 -6.341 368 HD12 LEU 49 HD12 LEU 49 0.339 4.058 -7.280 369 HD13 LEU 49 HD13 LEU 49 0.027 2.327 -7.519 370 HD21 LEU 49 HD21 LEU 49 -0.616 1.386 -4.473 371 HD22 LEU 49 HD22 LEU 49 -0.620 2.923 -3.612 372 HD23 LEU 49 HD23 LEU 49 0.805 2.414 -4.517 373 H GLU 50 H GLU 50 -3.087 6.125 -4.799 374 HA GLU 50 HA GLU 50 -5.606 5.619 -5.906 375 HB2 GLU 50 HB3 GLU 50 -5.108 8.121 -4.261 376 HB3 GLU 50 HB2 GLU 50 -6.692 7.455 -4.611 377 HG2 GLU 50 HG3 GLU 50 -6.186 5.497 -3.270 378 HG3 GLU 50 HG2 GLU 50 -4.548 6.103 -2.989 379 H SER 51 H SER 51 -4.030 8.367 -6.056 380 HA SER 51 HA SER 51 -5.615 10.032 -7.776 381 HB2 SER 51 HB3 SER 51 -2.604 10.305 -7.647 382 HB3 SER 51 HB2 SER 51 -3.660 11.462 -8.464 383 HG SER 51 HG SER 51 -3.620 10.763 -5.718 384 H HIS 52 H HIS 52 -3.286 7.610 -8.601 385 HA HIS 52 HA HIS 52 -4.052 7.854 -11.445 386 HB2 HIS 52 HB3 HIS 52 -1.609 6.583 -10.253 387 HB3 HIS 52 HB2 HIS 52 -1.970 6.457 -12.002 388 HD1 HIS 52 HD1 HIS 52 0.168 7.803 -12.733 389 HD2 HIS 52 HD2 HIS 52 -1.993 9.484 -9.681 390 HE1 HIS 52 HE1 HIS 52 1.333 9.976 -12.295 391 H ASN 53 H ASN 53 -3.882 5.566 -12.541 392 HA ASN 53 HA ASN 53 -6.015 4.236 -11.181 393 HB2 ASN 53 HB3 ASN 53 -6.274 3.038 -13.325 394 HB3 ASN 53 HB2 ASN 53 -6.232 4.782 -13.540 395 HD21 ASN 53 HD22 ASN 53 -5.285 2.080 -14.909 396 HD22 ASN 53 HD21 ASN 53 -3.842 2.612 -15.721 397 H LYS 54 H LYS 54 -3.511 3.863 -9.816 398 HA LYS 54 HA LYS 54 -3.240 1.154 -10.455 399 HB2 LYS 54 HB3 LYS 54 -1.002 2.830 -9.228 400 HB3 LYS 54 HB2 LYS 54 -0.905 1.074 -9.313 401 HG2 LYS 54 HG3 LYS 54 -1.150 2.957 -11.678 402 HG3 LYS 54 HG2 LYS 54 0.226 1.941 -11.145 403 HD2 LYS 54 HD3 LYS 54 -0.706 -0.007 -11.805 404 HD3 LYS 54 HD2 LYS 54 -2.327 0.597 -11.480 405 HE2 LYS 54 HE3 LYS 54 -2.100 0.167 -13.716 406 HE3 LYS 54 HE2 LYS 54 -2.335 1.859 -13.276 407 HZ1 LYS 54 HZ1 LYS 54 -0.782 1.544 -15.141 408 HZ2 LYS 54 HZ2 LYS 54 0.232 0.620 -14.205 409 HZ3 LYS 54 HZ3 LYS 54 0.026 2.310 -13.908 410 H LEU 55 H LEU 55 -4.958 2.732 -8.436 411 HA LEU 55 HA LEU 55 -5.324 0.580 -6.687 412 HB2 LEU 55 HB3 LEU 55 -3.271 1.400 -5.576 413 HB3 LEU 55 HB2 LEU 55 -3.976 2.989 -5.447 414 HG LEU 55 HG LEU 55 -5.132 0.624 -3.912 415 HD11 LEU 55 HD11 LEU 55 -3.356 0.589 -2.601 416 HD12 LEU 55 HD12 LEU 55 -3.663 2.264 -2.146 417 HD13 LEU 55 HD13 LEU 55 -2.579 1.898 -3.494 418 HD21 LEU 55 HD21 LEU 55 -5.513 3.537 -3.926 419 HD22 LEU 55 HD22 LEU 55 -5.391 2.802 -2.329 420 HD23 LEU 55 HD23 LEU 55 -6.629 2.247 -3.455 421 H ASP 56 H ASP 56 -7.412 0.594 -7.102 422 HA ASP 56 HA ASP 56 -8.794 3.039 -6.547 423 HB2 ASP 56 HB3 ASP 56 -10.123 0.523 -7.624 424 HB3 ASP 56 HB2 ASP 56 -11.080 1.799 -6.966 425 H LYS 57 H LYS 57 -11.099 2.454 -5.396 426 HA LYS 57 HA LYS 57 -10.428 2.531 -2.656 427 HB2 LYS 57 HB3 LYS 57 -12.636 2.839 -2.202 428 HB3 LYS 57 HB2 LYS 57 -12.475 3.586 -3.790 429 HG2 LYS 57 HG3 LYS 57 -13.669 0.955 -3.050 430 HG3 LYS 57 HG2 LYS 57 -14.554 2.341 -3.720 431 HD2 LYS 57 HD3 LYS 57 -12.402 0.800 -4.967 432 HD3 LYS 57 HD2 LYS 57 -14.097 0.358 -5.266 433 HE2 LYS 57 HE3 LYS 57 -12.636 2.910 -6.095 434 HE3 LYS 57 HE2 LYS 57 -13.016 1.586 -7.174 435 HZ1 LYS 57 HZ1 LYS 57 -15.260 2.082 -7.112 436 HZ2 LYS 57 HZ2 LYS 57 -14.490 3.530 -7.335 437 HZ3 LYS 57 HZ3 LYS 57 -15.180 3.160 -5.824 438 H ASP 58 H ASP 58 -10.890 -0.128 -4.801 439 HA ASP 58 HA ASP 58 -11.468 -1.898 -2.604 440 HB2 ASP 58 HB3 ASP 58 -12.347 -3.488 -4.292 441 HB3 ASP 58 HB2 ASP 58 -13.241 -1.970 -4.224 442 H ASN 59 H ASN 59 -9.597 -1.504 -5.403 443 HA ASN 59 HA ASN 59 -8.262 -3.952 -4.899 444 HB2 ASN 59 HB3 ASN 59 -7.032 -3.514 -7.006 445 HB3 ASN 59 HB2 ASN 59 -8.800 -3.439 -7.171 446 HD21 ASN 59 HD22 ASN 59 -9.651 -1.642 -7.727 447 HD22 ASN 59 HD21 ASN 59 -8.754 -0.320 -8.387 448 H LEU 60 H LEU 60 -6.684 -4.472 -4.219 449 HA LEU 60 HA LEU 60 -4.731 -2.587 -3.134 450 HB2 LEU 60 HB3 LEU 60 -4.598 -4.067 -1.144 451 HB3 LEU 60 HB2 LEU 60 -6.119 -3.260 -1.361 452 HG LEU 60 HG LEU 60 -7.076 -5.400 -2.229 453 HD11 LEU 60 HD11 LEU 60 -5.666 -6.961 -2.892 454 HD12 LEU 60 HD12 LEU 60 -5.437 -7.334 -1.172 455 HD13 LEU 60 HD13 LEU 60 -4.341 -6.214 -2.009 456 HD21 LEU 60 HD21 LEU 60 -7.809 -5.407 -0.152 457 HD22 LEU 60 HD22 LEU 60 -6.287 -4.728 0.435 458 HD23 LEU 60 HD23 LEU 60 -6.461 -6.479 0.253 459 H SER 61 H SER 61 -5.195 -5.293 -4.887 460 HA SER 61 HA SER 61 -3.103 -6.903 -4.530 461 HB2 SER 61 HB3 SER 61 -3.284 -7.633 -6.932 462 HB3 SER 61 HB2 SER 61 -4.813 -7.517 -6.077 463 HG SER 61 HG SER 61 -5.179 -6.497 -7.945 464 H TYR 62 H TYR 62 -2.921 -4.011 -6.236 465 HA TYR 62 HA TYR 62 -0.270 -4.060 -7.289 466 HB2 TYR 62 HB3 TYR 62 -1.821 -2.134 -7.743 467 HB3 TYR 62 HB2 TYR 62 -1.667 -1.629 -6.064 468 HD1 TYR 62 HD2 TYR 62 0.148 -1.925 -9.251 469 HD2 TYR 62 HD1 TYR 62 0.237 -0.412 -5.273 470 HE1 TYR 62 HE2 TYR 62 2.186 -0.647 -9.768 471 HE2 TYR 62 HE1 TYR 62 2.344 0.694 -5.697 472 HH TYR 62 HH TYR 62 4.031 0.324 -8.719 473 H ILE 63 H ILE 63 -1.531 -2.960 -4.206 474 HA ILE 63 HA ILE 63 1.039 -2.412 -3.088 475 HB ILE 63 HB ILE 63 -0.010 -1.437 -1.256 476 HG12 ILE 63 HG13 ILE 63 -2.672 -2.600 -2.103 477 HG13 ILE 63 HG12 ILE 63 -1.701 -3.283 -0.801 478 HG21 ILE 63 HG21 ILE 63 -1.478 0.099 -2.283 479 HG22 ILE 63 HG22 ILE 63 -1.750 -1.063 -3.585 480 HG23 ILE 63 HG23 ILE 63 -0.153 -0.331 -3.397 481 HD11 ILE 63 HD11 ILE 63 -2.742 -1.901 0.545 482 HD12 ILE 63 HD12 ILE 63 -3.393 -0.930 -0.815 483 HD13 ILE 63 HD13 ILE 63 -1.722 -0.698 -0.235 484 H GLU 64 H GLU 64 -1.041 -5.039 -3.163 485 HA GLU 64 HA GLU 64 -0.413 -6.510 -0.736 486 HB2 GLU 64 HB3 GLU 64 -2.320 -7.081 -2.195 487 HB3 GLU 64 HB2 GLU 64 -1.207 -7.381 -3.516 488 HG2 GLU 64 HG3 GLU 64 -0.306 -9.271 -2.234 489 HG3 GLU 64 HG2 GLU 64 -1.534 -9.029 -1.007 490 H HIS 65 H HIS 65 0.676 -6.857 -4.081 491 HA HIS 65 HA HIS 65 2.936 -8.431 -3.643 492 HB2 HIS 65 HB3 HIS 65 1.840 -7.675 -5.796 493 HB3 HIS 65 HB2 HIS 65 2.437 -6.076 -5.429 494 HD1 HIS 65 HD1 HIS 65 3.927 -9.543 -6.091 495 HD2 HIS 65 HD2 HIS 65 4.638 -5.491 -6.609 496 HE1 HIS 65 HE1 HIS 65 6.074 -9.465 -7.347 497 H ILE 66 H ILE 66 2.936 -5.069 -3.855 498 HA ILE 66 HA ILE 66 5.419 -4.547 -3.217 499 HB ILE 66 HB ILE 66 3.188 -3.022 -1.964 500 HG12 ILE 66 HG13 ILE 66 2.992 -3.400 -4.194 501 HG13 ILE 66 HG12 ILE 66 3.219 -1.616 -4.064 502 HG21 ILE 66 HG21 ILE 66 5.191 -1.098 -2.378 503 HG22 ILE 66 HG22 ILE 66 6.105 -2.509 -1.879 504 HG23 ILE 66 HG23 ILE 66 4.846 -1.905 -0.856 505 HD11 ILE 66 HD11 ILE 66 4.376 -3.531 -5.705 506 HD12 ILE 66 HD12 ILE 66 5.650 -3.094 -4.542 507 HD13 ILE 66 HD13 ILE 66 4.831 -1.832 -5.539 508 H PHE 67 H PHE 67 2.878 -5.038 -0.574 509 HA PHE 67 HA PHE 67 4.790 -4.769 1.246 510 HB2 PHE 67 HB3 PHE 67 2.083 -6.051 1.466 511 HB3 PHE 67 HB2 PHE 67 3.128 -5.664 2.828 512 HD1 PHE 67 HD2 PHE 67 3.946 -3.159 2.889 513 HD2 PHE 67 HD1 PHE 67 0.550 -4.562 0.823 514 HE1 PHE 67 HE2 PHE 67 3.067 -0.838 2.786 515 HE2 PHE 67 HE1 PHE 67 -0.322 -2.272 0.700 516 HZ PHE 67 HZ PHE 67 0.931 -0.422 1.699 517 H GLU 68 H GLU 68 3.950 -7.666 -0.731 518 HA GLU 68 HA GLU 68 5.089 -9.501 1.184 519 HB2 GLU 68 HB3 GLU 68 3.342 -10.196 -0.443 520 HB3 GLU 68 HB2 GLU 68 4.426 -9.731 -1.752 521 HG2 GLU 68 HG3 GLU 68 4.472 -12.095 -1.447 522 HG3 GLU 68 HG2 GLU 68 6.021 -11.317 -0.955 523 H ILE 69 H ILE 69 6.094 -8.100 -1.908 524 HA ILE 69 HA ILE 69 8.488 -9.284 -1.935 525 HB ILE 69 HB ILE 69 9.218 -7.681 -3.591 526 HG12 ILE 69 HG13 ILE 69 6.589 -6.337 -3.032 527 HG13 ILE 69 HG12 ILE 69 8.179 -5.640 -2.711 528 HG21 ILE 69 HG21 ILE 69 7.858 -9.619 -4.154 529 HG22 ILE 69 HG22 ILE 69 7.422 -8.250 -5.173 530 HG23 ILE 69 HG23 ILE 69 6.408 -8.684 -3.792 531 HD11 ILE 69 HD11 ILE 69 8.150 -4.824 -4.735 532 HD12 ILE 69 HD12 ILE 69 6.657 -5.729 -5.118 533 HD13 ILE 69 HD13 ILE 69 8.235 -6.515 -5.282 534 H SER 70 H SER 70 7.781 -6.303 -0.350 535 HA SER 70 HA SER 70 10.559 -5.843 0.354 536 HB2 SER 70 HB3 SER 70 9.577 -3.891 1.612 537 HB3 SER 70 HB2 SER 70 9.158 -3.889 -0.098 538 HG SER 70 HG SER 70 7.117 -4.417 0.381 539 H ARG 71 H ARG 71 11.320 -6.114 2.543 540 HA ARG 71 HA ARG 71 10.016 -8.280 3.791 541 HB2 ARG 71 HB3 ARG 71 12.518 -6.890 4.746 542 HB3 ARG 71 HB2 ARG 71 11.817 -8.332 5.476 543 HG2 ARG 71 HG3 ARG 71 12.705 -8.128 2.657 544 HG3 ARG 71 HG2 ARG 71 13.655 -8.887 3.967 545 HD2 ARG 71 HD3 ARG 71 10.952 -9.678 2.892 546 HD3 ARG 71 HD2 ARG 71 12.470 -10.522 2.547 547 HE ARG 71 HE ARG 71 11.916 -10.477 5.346 548 HH11 ARG 71 HH11 ARG 71 11.066 -12.201 2.337 549 HH12 ARG 71 HH12 ARG 71 10.245 -13.464 3.107 550 HH21 ARG 71 HH22 ARG 71 10.837 -12.353 6.443 551 HH22 ARG 71 HH21 ARG 71 10.138 -13.563 5.497 552 H ARG 72 H ARG 72 8.192 -6.934 3.988 553 HA ARG 72 HA ARG 72 7.760 -6.143 6.714 554 HB2 ARG 72 HB3 ARG 72 7.421 -4.335 4.367 555 HB3 ARG 72 HB2 ARG 72 6.329 -4.164 5.718 556 HG2 ARG 72 HG3 ARG 72 9.313 -4.089 5.956 557 HG3 ARG 72 HG2 ARG 72 8.257 -2.651 5.848 558 HD2 ARG 72 HD3 ARG 72 6.977 -3.477 7.775 559 HD3 ARG 72 HD2 ARG 72 8.074 -4.849 7.893 560 HE ARG 72 HE ARG 72 8.392 -2.185 8.784 561 HH11 ARG 72 HH11 ARG 72 10.370 -5.049 7.916 562 HH12 ARG 72 HH12 ARG 72 11.758 -4.425 8.700 563 HH21 ARG 72 HH22 ARG 72 10.226 -1.373 9.634 564 HH22 ARG 72 HH21 ARG 72 11.669 -2.253 9.824 565 HA PRO 73 HA PRO 73 4.378 -8.677 4.706 566 HB2 PRO 73 HB2 PRO 73 5.002 -10.668 6.771 567 HB3 PRO 73 HB3 PRO 73 4.816 -10.888 5.030 568 HG2 PRO 73 HG3 PRO 73 7.194 -11.039 6.258 569 HG3 PRO 73 HG2 PRO 73 7.019 -10.393 4.616 570 HD2 PRO 73 HD3 PRO 73 7.295 -8.927 7.202 571 HD3 PRO 73 HD2 PRO 73 8.080 -8.606 5.635 572 H ASP 74 H ASP 74 5.166 -7.235 7.676 573 HA ASP 74 HA ASP 74 2.906 -8.137 9.233 574 HB2 ASP 74 HB3 ASP 74 4.451 -5.536 9.552 575 HB3 ASP 74 HB2 ASP 74 3.331 -6.198 10.715 576 H LEU 75 H LEU 75 3.672 -5.478 7.422 577 HA LEU 75 HA LEU 75 1.142 -4.132 7.426 578 HB2 LEU 75 HB3 LEU 75 3.322 -3.927 5.348 579 HB3 LEU 75 HB2 LEU 75 1.865 -2.962 5.299 580 HG LEU 75 HG LEU 75 2.569 -1.714 7.334 581 HD11 LEU 75 HD11 LEU 75 5.055 -2.205 8.002 582 HD12 LEU 75 HD12 LEU 75 4.657 -3.841 7.452 583 HD13 LEU 75 HD13 LEU 75 3.733 -3.102 8.750 584 HD21 LEU 75 HD21 LEU 75 3.418 -1.245 4.993 585 HD22 LEU 75 HD22 LEU 75 4.921 -1.987 5.533 586 HD23 LEU 75 HD23 LEU 75 4.303 -0.539 6.351 587 H LEU 76 H LEU 76 2.599 -6.178 5.189 588 HA LEU 76 HA LEU 76 0.611 -6.696 3.196 589 HB2 LEU 76 HB3 LEU 76 2.757 -8.072 3.163 590 HB3 LEU 76 HB2 LEU 76 1.954 -9.072 4.403 591 HG LEU 76 HG LEU 76 0.091 -9.309 2.807 592 HD11 LEU 76 HD11 LEU 76 0.378 -7.678 1.350 593 HD12 LEU 76 HD12 LEU 76 0.500 -9.224 0.501 594 HD13 LEU 76 HD13 LEU 76 1.952 -8.293 0.846 595 HD21 LEU 76 HD21 LEU 76 2.456 -10.790 3.094 596 HD22 LEU 76 HD22 LEU 76 1.967 -10.899 1.391 597 HD23 LEU 76 HD23 LEU 76 0.822 -11.320 2.693 598 H THR 77 H THR 77 1.059 -8.439 6.030 599 HA THR 77 HA THR 77 -1.092 -10.103 6.232 600 HB THR 77 HB THR 77 0.170 -8.558 8.438 601 HG1 THR 77 HG1 THR 77 1.724 -9.863 7.572 602 HG21 THR 77 HG21 THR 77 -0.616 -10.374 9.904 603 HG22 THR 77 HG22 THR 77 -1.529 -10.975 8.489 604 HG23 THR 77 HG23 THR 77 -1.872 -9.351 9.140 605 H MET 78 H MET 78 -0.928 -6.825 7.266 606 HA MET 78 HA MET 78 -3.580 -6.628 8.242 607 HB2 MET 78 HB3 MET 78 -1.846 -4.348 7.236 608 HB3 MET 78 HB2 MET 78 -3.258 -4.202 8.249 609 HG2 MET 78 HG3 MET 78 -2.226 -5.575 9.987 610 HG3 MET 78 HG2 MET 78 -0.763 -5.685 9.017 611 HE1 MET 78 HE1 MET 78 -3.010 -2.315 9.593 612 HE2 MET 78 HE2 MET 78 -2.374 -2.004 11.214 613 HE3 MET 78 HE3 MET 78 -3.209 -3.512 10.891 614 H VAL 79 H VAL 79 -2.237 -6.200 5.028 615 HA VAL 79 HA VAL 79 -4.599 -5.204 3.773 616 HB VAL 79 HB VAL 79 -2.217 -6.705 2.637 617 HG11 VAL 79 HG11 VAL 79 -2.938 -6.345 0.593 618 HG12 VAL 79 HG12 VAL 79 -3.402 -4.676 0.929 619 HG13 VAL 79 HG13 VAL 79 -4.503 -6.017 1.327 620 HG21 VAL 79 HG21 VAL 79 -2.238 -4.233 3.918 621 HG22 VAL 79 HG22 VAL 79 -2.066 -3.872 2.190 622 HG23 VAL 79 HG23 VAL 79 -0.936 -4.972 3.016 623 H VAL 80 H VAL 80 -2.987 -8.332 3.929 624 HA VAL 80 HA VAL 80 -4.879 -10.008 2.666 625 HB VAL 80 HB VAL 80 -2.969 -10.650 4.983 626 HG11 VAL 80 HG11 VAL 80 -4.220 -12.602 3.053 627 HG12 VAL 80 HG12 VAL 80 -4.829 -12.261 4.680 628 HG13 VAL 80 HG13 VAL 80 -3.214 -12.958 4.467 629 HG21 VAL 80 HG21 VAL 80 -2.517 -10.194 2.152 630 HG22 VAL 80 HG22 VAL 80 -1.953 -11.790 2.657 631 HG23 VAL 80 HG23 VAL 80 -1.379 -10.320 3.468 632 H ASP 81 H ASP 81 -4.522 -9.362 5.837 633 HA ASP 81 HA ASP 81 -6.828 -10.537 6.836 634 HB2 ASP 81 HB3 ASP 81 -5.198 -8.459 8.247 635 HB3 ASP 81 HB2 ASP 81 -6.747 -8.924 8.953 636 H TYR 82 H TYR 82 -6.475 -7.356 5.774 637 HA TYR 82 HA TYR 82 -9.035 -6.203 6.210 638 HB2 TYR 82 HB3 TYR 82 -7.320 -4.874 5.344 639 HB3 TYR 82 HB2 TYR 82 -7.145 -5.915 3.908 640 HD1 TYR 82 HD2 TYR 82 -9.625 -3.792 5.662 641 HD2 TYR 82 HD1 TYR 82 -8.152 -5.353 2.047 642 HE1 TYR 82 HE2 TYR 82 -11.208 -2.372 4.413 643 HE2 TYR 82 HE1 TYR 82 -9.686 -3.992 0.757 644 HH TYR 82 HH TYR 82 -11.216 -2.321 0.856 645 H ARG 83 H ARG 83 -7.789 -7.996 3.403 646 HA ARG 83 HA ARG 83 -10.038 -8.011 1.834 647 HB2 ARG 83 HB3 ARG 83 -7.973 -8.437 0.874 648 HB3 ARG 83 HB2 ARG 83 -7.522 -9.589 2.099 649 HG2 ARG 83 HG3 ARG 83 -9.650 -10.223 0.156 650 HG3 ARG 83 HG2 ARG 83 -7.934 -10.389 -0.325 651 HD2 ARG 83 HD3 ARG 83 -7.644 -11.830 1.664 652 HD3 ARG 83 HD2 ARG 83 -9.374 -11.788 1.959 653 HE ARG 83 HE ARG 83 -8.887 -12.606 -0.698 654 HH11 ARG 83 HH11 ARG 83 -8.639 -13.919 2.618 655 HH12 ARG 83 HH12 ARG 83 -8.678 -15.538 2.076 656 HH21 ARG 83 HH22 ARG 83 -8.998 -14.830 -1.377 657 HH22 ARG 83 HH21 ARG 83 -8.909 -16.056 -0.200 658 H THR 84 H THR 84 -8.987 -10.256 3.947 659 HA THR 84 HA THR 84 -11.187 -12.090 3.844 660 HB THR 84 HB THR 84 -9.278 -11.594 6.020 661 HG1 THR 84 HG1 THR 84 -7.875 -12.443 4.651 662 HG21 THR 84 HG21 THR 84 -11.117 -12.825 6.672 663 HG22 THR 84 HG22 THR 84 -9.663 -13.843 6.705 664 HG23 THR 84 HG23 THR 84 -10.862 -14.026 5.362 665 H ARG 85 H ARG 85 -10.379 -10.142 6.336 666 HA ARG 85 HA ARG 85 -12.523 -10.219 8.005 667 HB2 ARG 85 HB3 ARG 85 -12.028 -8.163 9.259 668 HB3 ARG 85 HB2 ARG 85 -10.517 -8.916 8.788 669 HG2 ARG 85 HG3 ARG 85 -10.363 -7.283 6.905 670 HG3 ARG 85 HG2 ARG 85 -11.808 -6.497 7.521 671 HD2 ARG 85 HD3 ARG 85 -9.229 -6.904 8.901 672 HD3 ARG 85 HD2 ARG 85 -9.846 -5.396 8.160 673 HE ARG 85 HE ARG 85 -11.623 -6.368 10.142 674 HH11 ARG 85 HH11 ARG 85 -8.555 -4.557 9.869 675 HH12 ARG 85 HH12 ARG 85 -8.664 -3.905 11.450 676 HH21 ARG 85 HH22 ARG 85 -11.682 -5.417 12.381 677 HH22 ARG 85 HH21 ARG 85 -10.398 -4.399 12.832 678 H VAL 86 H VAL 86 -12.145 -7.866 5.774 679 HA VAL 86 HA VAL 86 -14.671 -6.696 5.963 680 HB VAL 86 HB VAL 86 -12.805 -6.562 3.603 681 HG11 VAL 86 HG11 VAL 86 -15.183 -4.730 4.135 682 HG12 VAL 86 HG12 VAL 86 -15.243 -6.046 2.940 683 HG13 VAL 86 HG13 VAL 86 -14.133 -4.696 2.716 684 HG21 VAL 86 HG21 VAL 86 -12.775 -4.131 4.628 685 HG22 VAL 86 HG22 VAL 86 -11.794 -5.434 5.285 686 HG23 VAL 86 HG23 VAL 86 -13.321 -4.973 6.060 687 H LEU 87 H LEU 87 -13.507 -9.326 4.077 688 HA LEU 87 HA LEU 87 -15.800 -10.012 2.550 689 HB2 LEU 87 HB3 LEU 87 -13.673 -10.896 1.955 690 HB3 LEU 87 HB2 LEU 87 -13.325 -11.392 3.589 691 HG LEU 87 HG LEU 87 -14.662 -13.237 3.404 692 HD11 LEU 87 HD11 LEU 87 -15.880 -11.819 1.165 693 HD12 LEU 87 HD12 LEU 87 -16.421 -13.346 1.859 694 HD13 LEU 87 HD13 LEU 87 -15.234 -13.341 0.547 695 HD21 LEU 87 HD21 LEU 87 -12.681 -13.947 2.687 696 HD22 LEU 87 HD22 LEU 87 -12.581 -12.746 1.400 697 HD23 LEU 87 HD23 LEU 87 -13.524 -14.219 1.169 698 H LYS 88 H LYS 88 -14.583 -11.021 5.693 699 HA LYS 88 HA LYS 88 -16.625 -12.680 6.477 700 HB2 LYS 88 HB3 LYS 88 -14.432 -12.601 7.451 701 HB3 LYS 88 HB2 LYS 88 -14.824 -11.042 8.169 702 HG2 LYS 88 HG3 LYS 88 -16.391 -12.006 9.629 703 HG3 LYS 88 HG2 LYS 88 -16.348 -13.555 8.761 704 HD2 LYS 88 HD3 LYS 88 -14.169 -13.791 9.160 705 HD3 LYS 88 HD2 LYS 88 -14.004 -12.275 10.057 706 HE2 LYS 88 HE3 LYS 88 -15.654 -14.692 10.874 707 HE3 LYS 88 HE2 LYS 88 -14.133 -14.242 11.635 708 HZ1 LYS 88 HZ1 LYS 88 -15.885 -12.027 11.778 709 HZ2 LYS 88 HZ2 LYS 88 -15.238 -12.991 13.006 710 HZ3 LYS 88 HZ3 LYS 88 -16.705 -13.437 12.296 711 H ILE 89 H ILE 89 -16.398 -9.160 6.747 712 HA ILE 89 HA ILE 89 -18.536 -8.776 8.530 713 HB ILE 89 HB ILE 89 -16.987 -7.106 6.585 714 HG12 ILE 89 HG13 ILE 89 -17.002 -7.114 9.610 715 HG13 ILE 89 HG12 ILE 89 -15.752 -7.776 8.563 716 HG21 ILE 89 HG21 ILE 89 -18.927 -6.134 6.436 717 HG22 ILE 89 HG22 ILE 89 -18.010 -5.096 7.560 718 HG23 ILE 89 HG23 ILE 89 -19.300 -6.180 8.168 719 HD11 ILE 89 HD11 ILE 89 -15.350 -5.492 9.646 720 HD12 ILE 89 HD12 ILE 89 -16.491 -4.875 8.452 721 HD13 ILE 89 HD13 ILE 89 -15.012 -5.642 7.911 722 H SER 90 H SER 90 -18.039 -8.567 5.037 723 HA SER 90 HA SER 90 -20.817 -8.005 4.521 724 HB2 SER 90 HB3 SER 90 -18.492 -8.591 2.690 725 HB3 SER 90 HB2 SER 90 -20.091 -8.001 2.193 726 HG SER 90 HG SER 90 -18.011 -6.602 2.916 Start of MODEL 20 1 H1 MET 1 H MET 1 -14.348 0.124 1.761 2 H2 MET 1 H2 MET 1 -15.660 0.752 0.980 3 H3 MET 1 H3 MET 1 -14.544 -0.224 0.108 4 HA MET 1 HA MET 1 -13.073 1.418 -0.207 5 HB2 MET 1 HB3 MET 1 -15.585 2.975 0.453 6 HB3 MET 1 HB2 MET 1 -14.228 3.598 -0.477 7 HG2 MET 1 HG3 MET 1 -14.656 1.958 -2.197 8 HG3 MET 1 HG2 MET 1 -16.005 1.295 -1.264 9 HE1 MET 1 HE1 MET 1 -16.368 1.956 -4.109 10 HE2 MET 1 HE2 MET 1 -17.557 3.220 -4.377 11 HE3 MET 1 HE3 MET 1 -17.959 1.844 -3.347 12 H ALA 2 H ALA 2 -15.007 2.697 2.404 13 HA ALA 2 HA ALA 2 -12.953 4.258 3.509 14 HB1 ALA 2 HB1 ALA 2 -14.255 4.556 5.554 15 HB2 ALA 2 HB2 ALA 2 -15.230 3.140 5.201 16 HB3 ALA 2 HB3 ALA 2 -15.356 4.578 4.179 17 H GLU 3 H GLU 3 -13.978 1.240 4.799 18 HA GLU 3 HA GLU 3 -12.274 0.630 6.643 19 HB2 GLU 3 HB3 GLU 3 -12.687 -1.442 4.460 20 HB3 GLU 3 HB2 GLU 3 -12.487 -1.738 6.173 21 HG2 GLU 3 HG3 GLU 3 -14.754 -2.179 5.699 22 HG3 GLU 3 HG2 GLU 3 -14.747 -0.602 6.478 23 H TYR 4 H TYR 4 -11.847 0.347 3.572 24 HA TYR 4 HA TYR 4 -9.152 -0.592 3.163 25 HB2 TYR 4 HB3 TYR 4 -10.650 -0.454 1.199 26 HB3 TYR 4 HB2 TYR 4 -10.392 1.296 1.113 27 HD1 TYR 4 HD1 TYR 4 -8.214 -1.687 1.543 28 HD2 TYR 4 HD2 TYR 4 -9.032 1.787 -0.771 29 HE1 TYR 4 HE1 TYR 4 -6.320 -2.202 0.115 30 HE2 TYR 4 HE2 TYR 4 -7.117 1.258 -2.205 31 HH TYR 4 HH TYR 4 -5.804 -0.638 -2.833 32 H GLY 5 H GLY 5 -10.507 2.495 3.200 33 HA2 GLY 5 HA3 GLY 5 -8.291 4.276 3.101 34 HA3 GLY 5 HA2 GLY 5 -9.750 4.685 3.997 35 H THR 6 H THR 6 -9.721 2.773 6.127 36 HA THR 6 HA THR 6 -7.681 3.713 7.853 37 HB THR 6 HB THR 6 -9.421 1.265 8.054 38 HG1 THR 6 HG1 THR 6 -10.346 3.323 9.477 39 HG21 THR 6 HG21 THR 6 -8.616 3.036 10.269 40 HG22 THR 6 HG22 THR 6 -7.422 1.962 9.518 41 HG23 THR 6 HG23 THR 6 -8.892 1.263 10.240 42 H LEU 7 H LEU 7 -8.252 0.798 6.241 43 HA LEU 7 HA LEU 7 -6.077 -0.813 6.906 44 HB2 LEU 7 HB3 LEU 7 -7.506 -1.680 5.210 45 HB3 LEU 7 HB2 LEU 7 -7.017 -0.419 4.085 46 HG LEU 7 HG LEU 7 -4.745 -1.297 4.139 47 HD11 LEU 7 HD11 LEU 7 -5.963 -3.425 5.807 48 HD12 LEU 7 HD12 LEU 7 -4.602 -2.380 6.140 49 HD13 LEU 7 HD13 LEU 7 -4.440 -3.643 4.929 50 HD21 LEU 7 HD21 LEU 7 -5.565 -3.578 2.939 51 HD22 LEU 7 HD22 LEU 7 -5.650 -1.962 2.227 52 HD23 LEU 7 HD23 LEU 7 -7.071 -2.646 2.985 53 H LEU 8 H LEU 8 -6.017 1.366 4.445 54 HA LEU 8 HA LEU 8 -3.267 1.480 3.733 55 HB2 LEU 8 HB3 LEU 8 -5.279 3.713 3.537 56 HB3 LEU 8 HB2 LEU 8 -3.568 3.887 3.142 57 HG LEU 8 HG LEU 8 -3.706 2.534 1.236 58 HD11 LEU 8 HD11 LEU 8 -4.803 0.635 1.297 59 HD12 LEU 8 HD12 LEU 8 -6.270 1.551 0.948 60 HD13 LEU 8 HD13 LEU 8 -5.834 1.177 2.621 61 HD21 LEU 8 HD21 LEU 8 -4.792 4.016 0.045 62 HD22 LEU 8 HD22 LEU 8 -5.530 4.647 1.517 63 HD23 LEU 8 HD23 LEU 8 -6.344 3.388 0.596 64 H GLN 9 H GLN 9 -4.951 3.147 6.127 65 HA GLN 9 HA GLN 9 -2.780 4.562 7.329 66 HB2 GLN 9 HB3 GLN 9 -4.627 5.715 7.318 67 HB3 GLN 9 HB2 GLN 9 -5.622 4.280 7.587 68 HG2 GLN 9 HG3 GLN 9 -5.482 4.246 9.670 69 HG3 GLN 9 HG2 GLN 9 -3.903 5.136 9.845 70 HE21 GLN 9 HE22 GLN 9 -5.368 7.072 7.944 71 HE22 GLN 9 HE21 GLN 9 -6.449 7.971 8.925 72 H ASP 10 H ASP 10 -4.073 1.632 7.697 73 HA ASP 10 HA ASP 10 -3.388 0.986 10.475 74 HB2 ASP 10 HB3 ASP 10 -4.211 -0.802 8.184 75 HB3 ASP 10 HB2 ASP 10 -3.682 -1.459 9.734 76 H LEU 11 H LEU 11 -2.044 0.438 7.253 77 HA LEU 11 HA LEU 11 0.339 -0.649 8.327 78 HB2 LEU 11 HB3 LEU 11 1.035 -0.883 6.067 79 HB3 LEU 11 HB2 LEU 11 -0.499 -1.703 6.312 80 HG LEU 11 HG LEU 11 -1.361 0.584 5.339 81 HD11 LEU 11 HD11 LEU 11 0.105 1.852 4.270 82 HD12 LEU 11 HD12 LEU 11 1.010 0.453 3.643 83 HD13 LEU 11 HD13 LEU 11 1.275 1.014 5.288 84 HD21 LEU 11 HD21 LEU 11 -0.223 -1.298 3.333 85 HD22 LEU 11 HD22 LEU 11 -1.818 -0.569 3.395 86 HD23 LEU 11 HD23 LEU 11 -1.430 -1.913 4.466 87 H THR 12 H THR 12 -0.905 2.274 7.206 88 HA THR 12 HA THR 12 1.465 3.805 6.794 89 HB THR 12 HB THR 12 -1.410 4.491 7.144 90 HG1 THR 12 HG1 THR 12 -0.934 3.749 5.217 91 HG21 THR 12 HG21 THR 12 -0.099 6.635 6.051 92 HG22 THR 12 HG22 THR 12 0.674 6.309 7.637 93 HG23 THR 12 HG23 THR 12 -1.121 6.546 7.525 94 H ASN 13 H ASN 13 -0.546 3.354 9.644 95 HA ASN 13 HA ASN 13 0.968 5.097 11.313 96 HB2 ASN 13 HB3 ASN 13 -0.701 2.687 12.116 97 HB3 ASN 13 HB2 ASN 13 0.087 3.728 13.285 98 HD21 ASN 13 HD22 ASN 13 -2.820 3.054 12.124 99 HD22 ASN 13 HD21 ASN 13 -3.551 4.608 12.207 100 H ASN 14 H ASN 14 1.425 1.837 10.291 101 HA ASN 14 HA ASN 14 3.712 1.514 12.066 102 HB2 ASN 14 HB3 ASN 14 2.371 -0.507 10.214 103 HB3 ASN 14 HB2 ASN 14 3.783 -0.822 11.212 104 HD21 ASN 14 HD22 ASN 14 0.414 -0.875 11.148 105 HD22 ASN 14 HD21 ASN 14 0.158 -1.080 12.843 106 H ILE 15 H ILE 15 3.250 2.918 9.205 107 HA ILE 15 HA ILE 15 5.556 1.997 7.754 108 HB ILE 15 HB ILE 15 3.357 3.934 7.290 109 HG12 ILE 15 HG13 ILE 15 3.243 1.674 6.375 110 HG13 ILE 15 HG12 ILE 15 3.157 2.915 5.127 111 HG21 ILE 15 HG21 ILE 15 6.016 4.425 6.114 112 HG22 ILE 15 HG22 ILE 15 4.765 5.537 6.687 113 HG23 ILE 15 HG23 ILE 15 4.557 4.662 5.143 114 HD11 ILE 15 HD11 ILE 15 4.857 1.971 4.055 115 HD12 ILE 15 HD12 ILE 15 4.984 0.744 5.310 116 HD13 ILE 15 HD13 ILE 15 5.898 2.233 5.441 117 H THR 16 H THR 16 7.557 2.624 8.160 118 HA THR 16 HA THR 16 8.039 5.178 9.354 119 HB THR 16 HB THR 16 10.324 4.519 9.565 120 HG1 THR 16 HG1 THR 16 10.135 1.907 8.601 121 HG21 THR 16 HG21 THR 16 8.732 3.691 11.096 122 HG22 THR 16 HG22 THR 16 10.207 2.685 10.963 123 HG23 THR 16 HG23 THR 16 8.690 2.175 10.116 124 H LEU 17 H LEU 17 9.299 6.411 8.285 125 HA LEU 17 HA LEU 17 8.993 6.791 5.461 126 HB2 LEU 17 HB3 LEU 17 11.452 7.751 6.960 127 HB3 LEU 17 HB2 LEU 17 11.129 8.127 5.280 128 HG LEU 17 HG LEU 17 9.446 9.003 7.623 129 HD11 LEU 17 HD11 LEU 17 11.605 10.150 7.421 130 HD12 LEU 17 HD12 LEU 17 10.236 11.211 7.069 131 HD13 LEU 17 HD13 LEU 17 11.210 10.559 5.750 132 HD21 LEU 17 HD21 LEU 17 8.043 8.585 5.759 133 HD22 LEU 17 HD22 LEU 17 9.216 9.301 4.661 134 HD23 LEU 17 HD23 LEU 17 8.331 10.333 5.781 135 H GLU 18 H GLU 18 11.560 5.188 7.127 136 HA GLU 18 HA GLU 18 12.999 4.295 4.887 137 HB2 GLU 18 HB3 GLU 18 12.800 2.983 7.613 138 HB3 GLU 18 HB2 GLU 18 14.070 2.676 6.430 139 HG2 GLU 18 HG3 GLU 18 14.789 5.001 6.544 140 HG3 GLU 18 HG2 GLU 18 13.495 5.350 7.680 141 H ASP 19 H ASP 19 10.566 2.671 6.687 142 HA ASP 19 HA ASP 19 10.332 0.268 5.220 143 HB2 ASP 19 HB3 ASP 19 8.056 1.734 6.609 144 HB3 ASP 19 HB2 ASP 19 7.850 0.121 5.875 145 H LEU 20 H LEU 20 8.324 3.127 4.725 146 HA LEU 20 HA LEU 20 7.343 2.483 2.305 147 HB2 LEU 20 HB3 LEU 20 8.047 5.120 3.350 148 HB3 LEU 20 HB2 LEU 20 7.637 4.996 1.654 149 HG LEU 20 HG LEU 20 5.900 4.166 3.949 150 HD11 LEU 20 HD11 LEU 20 4.851 6.161 3.676 151 HD12 LEU 20 HD12 LEU 20 5.384 6.323 1.998 152 HD13 LEU 20 HD13 LEU 20 6.522 6.636 3.314 153 HD21 LEU 20 HD21 LEU 20 4.680 3.060 2.420 154 HD22 LEU 20 HD22 LEU 20 5.959 3.391 1.246 155 HD23 LEU 20 HD23 LEU 20 4.613 4.525 1.399 156 H GLU 21 H GLU 21 10.430 3.902 2.836 157 HA GLU 21 HA GLU 21 10.917 4.149 0.119 158 HB2 GLU 21 HB3 GLU 21 13.015 4.062 2.287 159 HB3 GLU 21 HB2 GLU 21 13.326 4.437 0.586 160 HG2 GLU 21 HG3 GLU 21 11.608 6.272 0.802 161 HG3 GLU 21 HG2 GLU 21 11.581 5.966 2.515 162 H GLN 22 H GLN 22 11.321 1.675 2.135 163 HA GLN 22 HA GLN 22 12.644 0.039 0.169 164 HB2 GLN 22 HB3 GLN 22 12.762 -0.636 2.643 165 HB3 GLN 22 HB2 GLN 22 11.145 -1.294 2.407 166 HG2 GLN 22 HG3 GLN 22 11.949 -2.746 0.653 167 HG3 GLN 22 HG2 GLN 22 13.560 -2.085 0.799 168 HE21 GLN 22 HE22 GLN 22 12.249 -4.732 1.222 169 HE22 GLN 22 HE21 GLN 22 12.891 -5.274 2.759 170 H LEU 23 H LEU 23 9.144 0.394 1.004 171 HA LEU 23 HA LEU 23 8.193 -1.408 -0.792 172 HB2 LEU 23 HB3 LEU 23 7.137 1.261 0.225 173 HB3 LEU 23 HB2 LEU 23 6.161 0.042 -0.587 174 HG LEU 23 HG LEU 23 7.492 -0.215 2.090 175 HD11 LEU 23 HD11 LEU 23 4.706 0.388 1.223 176 HD12 LEU 23 HD12 LEU 23 5.735 1.246 2.370 177 HD13 LEU 23 HD13 LEU 23 5.067 -0.336 2.794 178 HD21 LEU 23 HD21 LEU 23 7.138 -2.383 2.006 179 HD22 LEU 23 HD22 LEU 23 6.634 -2.217 0.327 180 HD23 LEU 23 HD23 LEU 23 5.426 -2.123 1.601 181 H LYS 24 H LYS 24 9.053 1.793 -0.991 182 HA LYS 24 HA LYS 24 8.491 2.623 -3.724 183 HB2 LYS 24 HB3 LYS 24 10.877 3.457 -2.018 184 HB3 LYS 24 HB2 LYS 24 10.385 4.181 -3.540 185 HG2 LYS 24 HG3 LYS 24 8.429 5.138 -2.590 186 HG3 LYS 24 HG2 LYS 24 8.556 4.106 -1.165 187 HD2 LYS 24 HD3 LYS 24 9.223 6.515 -0.782 188 HD3 LYS 24 HD2 LYS 24 10.417 5.301 -0.324 189 HE2 LYS 24 HE3 LYS 24 11.666 5.765 -2.359 190 HE3 LYS 24 HE2 LYS 24 10.434 6.911 -2.872 191 HZ1 LYS 24 HZ1 LYS 24 12.680 7.367 -1.194 192 HZ2 LYS 24 HZ2 LYS 24 11.285 7.653 -0.291 193 HZ3 LYS 24 HZ3 LYS 24 11.539 8.483 -1.745 194 H SER 25 H SER 25 11.048 1.475 -2.423 195 HA SER 25 HA SER 25 12.918 0.948 -4.544 196 HB2 SER 25 HB3 SER 25 13.049 -0.667 -1.952 197 HB3 SER 25 HB2 SER 25 14.334 -0.627 -3.166 198 HG SER 25 HG SER 25 13.360 1.517 -1.585 199 H ALA 26 H ALA 26 10.867 -1.148 -3.067 200 HA ALA 26 HA ALA 26 11.009 -3.318 -4.955 201 HB1 ALA 26 HB1 ALA 26 9.904 -4.029 -3.018 202 HB2 ALA 26 HB2 ALA 26 8.511 -3.743 -4.073 203 HB3 ALA 26 HB3 ALA 26 8.986 -2.542 -2.902 204 H CYS 27 H CYS 27 8.693 -0.620 -4.656 205 HA CYS 27 HA CYS 27 7.338 -1.267 -7.076 206 HB2 CYS 27 HB3 CYS 27 7.342 1.350 -5.652 207 HB3 CYS 27 HB2 CYS 27 6.214 0.659 -6.836 208 HG CYS 27 HG CYS 27 6.727 -0.373 -3.638 209 H LYS 28 H LYS 28 10.322 0.125 -6.829 210 HA LYS 28 HA LYS 28 10.279 2.492 -8.159 211 HB2 LYS 28 HB3 LYS 28 12.668 2.106 -8.624 212 HB3 LYS 28 HB2 LYS 28 12.180 1.385 -7.082 213 HG2 LYS 28 HG3 LYS 28 12.025 -0.793 -8.071 214 HG3 LYS 28 HG2 LYS 28 12.501 -0.120 -9.632 215 HD2 LYS 28 HD3 LYS 28 14.658 0.518 -8.686 216 HD3 LYS 28 HD2 LYS 28 14.173 -0.131 -7.121 217 HE2 LYS 28 HE3 LYS 28 14.464 -1.695 -9.683 218 HE3 LYS 28 HE2 LYS 28 15.529 -1.759 -8.274 219 HZ1 LYS 28 HZ1 LYS 28 13.099 -2.325 -7.200 220 HZ2 LYS 28 HZ2 LYS 28 14.240 -3.474 -7.674 221 HZ3 LYS 28 HZ3 LYS 28 12.982 -3.076 -8.703 222 H GLU 29 H GLU 29 10.100 -0.593 -9.529 223 HA GLU 29 HA GLU 29 10.333 0.147 -12.225 224 HB2 GLU 29 HB3 GLU 29 9.628 -2.402 -10.777 225 HB3 GLU 29 HB2 GLU 29 9.834 -2.282 -12.535 226 HG2 GLU 29 HG3 GLU 29 12.099 -1.655 -12.385 227 HG3 GLU 29 HG2 GLU 29 11.936 -1.189 -10.703 228 H ASP 30 H ASP 30 7.552 -0.502 -10.110 229 HA ASP 30 HA ASP 30 5.814 0.161 -12.314 230 HB2 ASP 30 HB3 ASP 30 5.145 -1.061 -9.729 231 HB3 ASP 30 HB2 ASP 30 3.905 -0.233 -10.633 232 H ILE 31 H ILE 31 6.554 1.636 -9.205 233 HA ILE 31 HA ILE 31 4.579 3.657 -9.832 234 HB ILE 31 HB ILE 31 4.884 2.606 -7.507 235 HG12 ILE 31 HG13 ILE 31 3.691 4.757 -7.750 236 HG13 ILE 31 HG12 ILE 31 4.463 4.582 -6.197 237 HG21 ILE 31 HG21 ILE 31 7.311 2.614 -7.387 238 HG22 ILE 31 HG22 ILE 31 6.615 3.513 -6.036 239 HG23 ILE 31 HG23 ILE 31 7.292 4.388 -7.398 240 HD11 ILE 31 HD11 ILE 31 5.886 6.262 -6.543 241 HD12 ILE 31 HD12 ILE 31 4.626 6.828 -7.659 242 HD13 ILE 31 HD13 ILE 31 6.011 5.902 -8.287 243 HA PRO 32 HA PRO 32 7.502 5.708 -12.050 244 HB2 PRO 32 HB2 PRO 32 6.130 8.261 -11.260 245 HB3 PRO 32 HB3 PRO 32 6.545 7.644 -12.870 246 HG2 PRO 32 HG3 PRO 32 4.042 7.471 -11.983 247 HG3 PRO 32 HG2 PRO 32 4.789 6.153 -12.907 248 HD2 PRO 32 HD3 PRO 32 4.350 6.371 -9.973 249 HD3 PRO 32 HD2 PRO 32 4.126 4.963 -11.033 250 H SER 33 H SER 33 9.336 6.477 -11.790 251 HA SER 33 HA SER 33 10.717 6.735 -9.338 252 HB2 SER 33 HB3 SER 33 11.948 6.348 -11.493 253 HB3 SER 33 HB2 SER 33 11.654 8.014 -11.952 254 HG SER 33 HG SER 33 13.203 8.670 -10.642 255 H GLU 34 H GLU 34 9.833 9.160 -11.470 256 HA GLU 34 HA GLU 34 10.134 11.655 -10.431 257 HB2 GLU 34 HB3 GLU 34 8.901 11.119 -12.481 258 HB3 GLU 34 HB2 GLU 34 7.543 10.558 -11.547 259 HG2 GLU 34 HG3 GLU 34 7.372 12.927 -10.656 260 HG3 GLU 34 HG2 GLU 34 8.497 13.354 -11.959 261 H LYS 35 H LYS 35 7.645 9.699 -9.817 262 HA LYS 35 HA LYS 35 6.409 11.128 -7.645 263 HB2 LYS 35 HB3 LYS 35 5.590 8.557 -8.915 264 HB3 LYS 35 HB2 LYS 35 4.702 9.315 -7.596 265 HG2 LYS 35 HG3 LYS 35 5.368 10.715 -10.171 266 HG3 LYS 35 HG2 LYS 35 3.840 9.875 -9.857 267 HD2 LYS 35 HD3 LYS 35 3.461 11.192 -7.907 268 HD3 LYS 35 HD2 LYS 35 4.966 12.069 -8.123 269 HE2 LYS 35 HE3 LYS 35 2.621 12.119 -10.028 270 HE3 LYS 35 HE2 LYS 35 3.036 13.400 -8.882 271 HZ1 LYS 35 HZ1 LYS 35 3.890 13.939 -11.092 272 HZ2 LYS 35 HZ2 LYS 35 4.755 12.494 -11.128 273 HZ3 LYS 35 HZ3 LYS 35 5.131 13.678 -9.996 274 H SER 36 H SER 36 7.858 7.889 -7.651 275 HA SER 36 HA SER 36 7.518 7.227 -5.054 276 HB2 SER 36 HB3 SER 36 8.381 5.783 -6.692 277 HB3 SER 36 HB2 SER 36 9.880 6.713 -6.884 278 HG SER 36 HG SER 36 9.626 4.673 -5.449 279 H GLU 37 H GLU 37 9.545 9.393 -6.273 280 HA GLU 37 HA GLU 37 11.428 9.700 -4.172 281 HB2 GLU 37 HB3 GLU 37 10.725 11.900 -6.112 282 HB3 GLU 37 HB2 GLU 37 12.132 11.894 -5.039 283 HG2 GLU 37 HG3 GLU 37 12.925 9.827 -6.139 284 HG3 GLU 37 HG2 GLU 37 11.532 9.914 -7.209 285 H GLU 38 H GLU 38 8.407 11.759 -4.664 286 HA GLU 38 HA GLU 38 8.842 13.003 -2.224 287 HB2 GLU 38 HB3 GLU 38 6.682 14.031 -2.829 288 HB3 GLU 38 HB2 GLU 38 7.867 14.107 -4.113 289 HG2 GLU 38 HG3 GLU 38 6.766 12.186 -5.216 290 HG3 GLU 38 HG2 GLU 38 5.589 12.129 -3.943 291 H ILE 39 H ILE 39 8.228 9.984 -2.212 292 HA ILE 39 HA ILE 39 5.735 9.981 -0.802 293 HB ILE 39 HB ILE 39 7.441 7.723 -1.824 294 HG12 ILE 39 HG13 ILE 39 4.635 8.617 -2.476 295 HG13 ILE 39 HG12 ILE 39 6.094 9.117 -3.379 296 HG21 ILE 39 HG21 ILE 39 5.488 6.264 -1.244 297 HG22 ILE 39 HG22 ILE 39 4.909 7.533 -0.151 298 HG23 ILE 39 HG23 ILE 39 6.468 6.742 0.141 299 HD11 ILE 39 HD11 ILE 39 5.891 7.329 -4.569 300 HD12 ILE 39 HD12 ILE 39 4.346 7.159 -3.761 301 HD13 ILE 39 HD13 ILE 39 5.718 6.286 -3.091 302 H THR 40 H THR 40 6.903 11.441 0.686 303 HA THR 40 HA THR 40 8.189 10.053 2.891 304 HB THR 40 HB THR 40 9.237 12.041 2.336 305 HG1 THR 40 HG1 THR 40 7.781 12.329 4.684 306 HG21 THR 40 HG21 THR 40 6.505 13.078 2.031 307 HG22 THR 40 HG22 THR 40 7.919 13.333 1.033 308 HG23 THR 40 HG23 THR 40 7.720 14.274 2.529 309 H THR 41 H THR 41 5.351 9.552 2.393 310 HA THR 41 HA THR 41 4.716 9.170 4.963 311 HB THR 41 HB THR 41 3.981 11.285 5.229 312 HG1 THR 41 HG1 THR 41 2.044 10.916 6.106 313 HG21 THR 41 HG21 THR 41 3.175 11.329 2.593 314 HG22 THR 41 HG22 THR 41 3.045 12.652 3.734 315 HG23 THR 41 HG23 THR 41 1.688 11.543 3.522 316 H GLY 42 H GLY 42 3.132 7.739 5.326 317 HA2 GLY 42 HA3 GLY 42 3.057 5.797 3.272 318 HA3 GLY 42 HA2 GLY 42 2.049 5.723 4.712 319 H SER 43 H SER 43 0.297 7.840 4.525 320 HA SER 43 HA SER 43 -1.516 7.204 2.734 321 HB2 SER 43 HB3 SER 43 -0.833 9.852 4.001 322 HB3 SER 43 HB2 SER 43 -2.426 9.405 3.337 323 HG SER 43 HG SER 43 -2.802 8.409 5.136 324 H ALA 44 H ALA 44 1.079 9.359 2.421 325 HA ALA 44 HA ALA 44 0.456 10.766 0.044 326 HB1 ALA 44 HB1 ALA 44 2.968 10.371 1.396 327 HB2 ALA 44 HB2 ALA 44 2.461 11.717 0.389 328 HB3 ALA 44 HB3 ALA 44 3.198 10.286 -0.352 329 H TRP 45 H TRP 45 2.216 7.693 0.277 330 HA TRP 45 HA TRP 45 2.352 7.255 -2.511 331 HB2 TRP 45 HB3 TRP 45 3.689 6.017 -0.776 332 HB3 TRP 45 HB2 TRP 45 2.214 5.221 -0.294 333 HD1 TRP 45 HD1 TRP 45 3.499 5.642 -3.949 334 HE1 TRP 45 HE1 TRP 45 3.673 3.251 -4.940 335 HE3 TRP 45 HE3 TRP 45 2.319 2.892 0.185 336 HZ2 TRP 45 HZ2 TRP 45 3.411 0.668 -4.132 337 HZ3 TRP 45 HZ3 TRP 45 2.336 0.432 -0.031 338 HH2 TRP 45 HH2 TRP 45 2.876 -0.621 -2.173 339 H PHE 46 H PHE 46 0.062 6.001 -0.157 340 HA PHE 46 HA PHE 46 -1.449 4.662 -2.031 341 HB2 PHE 46 HB3 PHE 46 -2.475 6.104 0.391 342 HB3 PHE 46 HB2 PHE 46 -3.390 4.958 -0.572 343 HD1 PHE 46 HD1 PHE 46 -2.082 2.786 -1.056 344 HD2 PHE 46 HD2 PHE 46 -1.497 5.270 2.365 345 HE1 PHE 46 HE1 PHE 46 -1.308 0.844 0.211 346 HE2 PHE 46 HE2 PHE 46 -0.778 3.328 3.644 347 HZ PHE 46 HZ PHE 46 -0.652 1.094 2.511 348 H SER 47 H SER 47 -1.976 7.689 -0.807 349 HA SER 47 HA SER 47 -4.017 8.605 -2.564 350 HB2 SER 47 HB3 SER 47 -2.074 10.362 -1.090 351 HB3 SER 47 HB2 SER 47 -3.570 10.928 -1.845 352 HG SER 47 HG SER 47 -4.389 8.984 -0.441 353 H PHE 48 H PHE 48 -0.613 8.615 -3.140 354 HA PHE 48 HA PHE 48 -0.731 10.123 -5.590 355 HB2 PHE 48 HB3 PHE 48 1.473 9.798 -4.674 356 HB3 PHE 48 HB2 PHE 48 1.198 8.054 -4.503 357 HD1 PHE 48 HD1 PHE 48 0.993 10.603 -7.228 358 HD2 PHE 48 HD2 PHE 48 2.117 6.719 -5.989 359 HE1 PHE 48 HE1 PHE 48 1.584 10.051 -9.494 360 HE2 PHE 48 HE2 PHE 48 2.744 6.171 -8.300 361 HZ PHE 48 HZ PHE 48 2.471 7.830 -10.055 362 H LEU 49 H LEU 49 -0.509 6.626 -4.773 363 HA LEU 49 HA LEU 49 -0.636 5.502 -7.169 364 HB2 LEU 49 HB3 LEU 49 -0.258 4.895 -4.759 365 HB3 LEU 49 HB2 LEU 49 -1.995 4.497 -4.753 366 HG LEU 49 HG LEU 49 -1.398 2.494 -6.320 367 HD11 LEU 49 HD11 LEU 49 0.596 4.056 -7.161 368 HD12 LEU 49 HD12 LEU 49 0.628 2.289 -7.222 369 HD13 LEU 49 HD13 LEU 49 1.432 3.141 -5.902 370 HD21 LEU 49 HD21 LEU 49 -0.238 1.235 -4.707 371 HD22 LEU 49 HD22 LEU 49 -1.195 2.391 -3.788 372 HD23 LEU 49 HD23 LEU 49 0.538 2.659 -4.035 373 H GLU 50 H GLU 50 -3.186 6.026 -4.903 374 HA GLU 50 HA GLU 50 -5.673 5.547 -6.152 375 HB2 GLU 50 HB3 GLU 50 -5.240 8.097 -4.546 376 HB3 GLU 50 HB2 GLU 50 -6.800 7.431 -4.953 377 HG2 GLU 50 HG3 GLU 50 -6.379 5.545 -3.496 378 HG3 GLU 50 HG2 GLU 50 -4.766 6.162 -3.123 379 H SER 51 H SER 51 -4.008 8.259 -6.164 380 HA SER 51 HA SER 51 -5.461 9.959 -7.996 381 HB2 SER 51 HB3 SER 51 -2.460 10.290 -7.579 382 HB3 SER 51 HB2 SER 51 -3.485 11.440 -8.427 383 HG SER 51 HG SER 51 -3.692 10.637 -5.724 384 H HIS 52 H HIS 52 -2.989 7.569 -8.662 385 HA HIS 52 HA HIS 52 -3.588 8.018 -11.490 386 HB2 HIS 52 HB3 HIS 52 -1.168 6.727 -10.295 387 HB3 HIS 52 HB2 HIS 52 -1.449 6.657 -12.059 388 HD1 HIS 52 HD1 HIS 52 0.695 8.196 -12.667 389 HD2 HIS 52 HD2 HIS 52 -1.781 9.582 -9.685 390 HE1 HIS 52 HE1 HIS 52 1.534 10.470 -12.216 391 H ASN 53 H ASN 53 -2.768 5.485 -12.532 392 HA ASN 53 HA ASN 53 -5.139 4.021 -11.703 393 HB2 ASN 53 HB3 ASN 53 -3.437 3.695 -14.183 394 HB3 ASN 53 HB2 ASN 53 -4.820 2.694 -13.776 395 HD21 ASN 53 HD22 ASN 53 -3.926 5.125 -15.695 396 HD22 ASN 53 HD21 ASN 53 -5.425 6.000 -15.792 397 H LYS 54 H LYS 54 -2.981 3.805 -9.891 398 HA LYS 54 HA LYS 54 -2.455 1.008 -10.449 399 HB2 LYS 54 HB3 LYS 54 -0.580 2.633 -8.693 400 HB3 LYS 54 HB2 LYS 54 -0.410 0.931 -9.057 401 HG2 LYS 54 HG3 LYS 54 0.025 3.291 -10.877 402 HG3 LYS 54 HG2 LYS 54 1.111 2.010 -10.337 403 HD2 LYS 54 HD3 LYS 54 -1.232 1.540 -12.147 404 HD3 LYS 54 HD2 LYS 54 0.406 1.778 -12.736 405 HE2 LYS 54 HE3 LYS 54 1.115 -0.218 -11.508 406 HE3 LYS 54 HE2 LYS 54 -0.554 -0.447 -10.952 407 HZ1 LYS 54 HZ1 LYS 54 -1.068 -0.404 -13.495 408 HZ2 LYS 54 HZ2 LYS 54 -0.472 -1.823 -12.823 409 HZ3 LYS 54 HZ3 LYS 54 0.558 -0.815 -13.687 410 H LEU 55 H LEU 55 -4.297 2.869 -8.480 411 HA LEU 55 HA LEU 55 -5.038 0.526 -7.007 412 HB2 LEU 55 HB3 LEU 55 -3.072 1.027 -5.704 413 HB3 LEU 55 HB2 LEU 55 -3.538 2.681 -5.500 414 HG LEU 55 HG LEU 55 -5.082 0.391 -4.175 415 HD11 LEU 55 HD11 LEU 55 -3.423 2.134 -2.489 416 HD12 LEU 55 HD12 LEU 55 -2.499 1.081 -3.555 417 HD13 LEU 55 HD13 LEU 55 -3.661 0.389 -2.433 418 HD21 LEU 55 HD21 LEU 55 -5.570 2.300 -2.531 419 HD22 LEU 55 HD22 LEU 55 -6.434 2.335 -4.073 420 HD23 LEU 55 HD23 LEU 55 -5.029 3.368 -3.813 421 H ASP 56 H ASP 56 -6.905 0.542 -7.043 422 HA ASP 56 HA ASP 56 -8.705 2.750 -6.805 423 HB2 ASP 56 HB3 ASP 56 -9.230 -0.190 -6.878 424 HB3 ASP 56 HB2 ASP 56 -10.481 1.016 -6.601 425 H LYS 57 H LYS 57 -10.144 2.991 -5.378 426 HA LYS 57 HA LYS 57 -9.640 2.916 -2.619 427 HB2 LYS 57 HB3 LYS 57 -11.914 3.342 -2.246 428 HB3 LYS 57 HB2 LYS 57 -11.379 4.365 -3.574 429 HG2 LYS 57 HG3 LYS 57 -13.013 1.870 -3.679 430 HG3 LYS 57 HG2 LYS 57 -13.632 3.512 -4.059 431 HD2 LYS 57 HD3 LYS 57 -11.908 3.522 -5.886 432 HD3 LYS 57 HD2 LYS 57 -11.689 1.798 -5.462 433 HE2 LYS 57 HE3 LYS 57 -14.130 3.102 -6.718 434 HE3 LYS 57 HE2 LYS 57 -12.885 2.085 -7.441 435 HZ1 LYS 57 HZ1 LYS 57 -14.247 0.716 -5.286 436 HZ2 LYS 57 HZ2 LYS 57 -13.890 0.254 -6.883 437 HZ3 LYS 57 HZ3 LYS 57 -15.228 1.190 -6.578 438 H ASP 58 H ASP 58 -10.716 0.367 -4.771 439 HA ASP 58 HA ASP 58 -11.185 -1.174 -2.383 440 HB2 ASP 58 HB3 ASP 58 -12.621 -1.516 -5.002 441 HB3 ASP 58 HB2 ASP 58 -12.731 -2.691 -3.691 442 H ASN 59 H ASN 59 -9.483 -1.098 -5.299 443 HA ASN 59 HA ASN 59 -8.554 -3.854 -4.942 444 HB2 ASN 59 HB3 ASN 59 -7.969 -1.803 -7.046 445 HB3 ASN 59 HB2 ASN 59 -7.275 -3.426 -7.048 446 HD21 ASN 59 HD22 ASN 59 -9.900 -1.530 -7.826 447 HD22 ASN 59 HD21 ASN 59 -11.004 -2.781 -8.247 448 H LEU 60 H LEU 60 -7.116 -4.469 -3.937 449 HA LEU 60 HA LEU 60 -4.962 -2.766 -3.011 450 HB2 LEU 60 HB3 LEU 60 -4.694 -4.465 -1.182 451 HB3 LEU 60 HB2 LEU 60 -6.177 -3.511 -1.195 452 HG LEU 60 HG LEU 60 -7.400 -5.447 -2.081 453 HD11 LEU 60 HD11 LEU 60 -5.380 -7.444 -1.450 454 HD12 LEU 60 HD12 LEU 60 -4.992 -6.413 -2.840 455 HD13 LEU 60 HD13 LEU 60 -6.510 -7.287 -2.812 456 HD21 LEU 60 HD21 LEU 60 -7.614 -6.563 -0.063 457 HD22 LEU 60 HD22 LEU 60 -7.046 -4.951 0.376 458 HD23 LEU 60 HD23 LEU 60 -5.916 -6.309 0.362 459 H SER 61 H SER 61 -5.305 -5.364 -4.980 460 HA SER 61 HA SER 61 -3.248 -7.010 -4.614 461 HB2 SER 61 HB3 SER 61 -4.960 -7.416 -6.320 462 HB3 SER 61 HB2 SER 61 -4.235 -6.180 -7.349 463 HG SER 61 HG SER 61 -3.528 -8.796 -6.924 464 H TYR 62 H TYR 62 -2.946 -4.094 -6.225 465 HA TYR 62 HA TYR 62 -0.259 -4.211 -7.191 466 HB2 TYR 62 HB3 TYR 62 -1.690 -2.216 -7.699 467 HB3 TYR 62 HB2 TYR 62 -1.574 -1.700 -6.022 468 HD1 TYR 62 HD1 TYR 62 0.449 -2.224 -9.123 469 HD2 TYR 62 HD2 TYR 62 0.296 -0.427 -5.241 470 HE1 TYR 62 HE1 TYR 62 2.596 -1.098 -9.515 471 HE2 TYR 62 HE2 TYR 62 2.469 0.552 -5.610 472 HH TYR 62 HH TYR 62 4.531 -0.264 -7.952 473 H ILE 63 H ILE 63 -1.562 -3.118 -4.175 474 HA ILE 63 HA ILE 63 1.001 -2.586 -3.002 475 HB ILE 63 HB ILE 63 -0.067 -1.521 -1.223 476 HG12 ILE 63 HG13 ILE 63 -2.720 -2.537 -2.177 477 HG13 ILE 63 HG12 ILE 63 -1.836 -3.375 -0.890 478 HG21 ILE 63 HG21 ILE 63 -1.399 -0.019 -2.311 479 HG22 ILE 63 HG22 ILE 63 -1.633 -1.198 -3.629 480 HG23 ILE 63 HG23 ILE 63 -0.032 -0.512 -3.347 481 HD11 ILE 63 HD11 ILE 63 -3.007 -1.999 0.409 482 HD12 ILE 63 HD12 ILE 63 -3.225 -0.780 -0.873 483 HD13 ILE 63 HD13 ILE 63 -1.672 -0.926 -0.030 484 H GLU 64 H GLU 64 -1.204 -5.098 -2.931 485 HA GLU 64 HA GLU 64 -0.472 -6.211 -0.323 486 HB2 GLU 64 HB3 GLU 64 -2.680 -6.881 -1.396 487 HB3 GLU 64 HB2 GLU 64 -1.762 -7.767 -2.607 488 HG2 GLU 64 HG3 GLU 64 -0.951 -9.303 -0.919 489 HG3 GLU 64 HG2 GLU 64 -1.730 -8.361 0.358 490 H HIS 65 H HIS 65 0.441 -7.076 -3.657 491 HA HIS 65 HA HIS 65 2.690 -8.703 -3.113 492 HB2 HIS 65 HB3 HIS 65 1.567 -8.180 -5.312 493 HB3 HIS 65 HB2 HIS 65 2.119 -6.527 -5.130 494 HD1 HIS 65 HD1 HIS 65 3.755 -10.010 -5.376 495 HD2 HIS 65 HD2 HIS 65 4.250 -6.014 -6.379 496 HE1 HIS 65 HE1 HIS 65 5.822 -9.974 -6.776 497 H ILE 66 H ILE 66 2.796 -5.280 -3.621 498 HA ILE 66 HA ILE 66 5.312 -4.852 -3.131 499 HB ILE 66 HB ILE 66 3.177 -3.189 -1.897 500 HG12 ILE 66 HG13 ILE 66 2.902 -3.634 -4.079 501 HG13 ILE 66 HG12 ILE 66 3.216 -1.864 -4.054 502 HG21 ILE 66 HG21 ILE 66 5.069 -2.274 -0.813 503 HG22 ILE 66 HG22 ILE 66 4.937 -1.230 -2.200 504 HG23 ILE 66 HG23 ILE 66 6.138 -2.504 -2.178 505 HD11 ILE 66 HD11 ILE 66 4.687 -2.270 -5.655 506 HD12 ILE 66 HD12 ILE 66 4.307 -3.993 -5.566 507 HD13 ILE 66 HD13 ILE 66 5.607 -3.344 -4.554 508 H PHE 67 H PHE 67 2.895 -5.151 -0.410 509 HA PHE 67 HA PHE 67 4.909 -4.885 1.399 510 HB2 PHE 67 HB3 PHE 67 2.146 -6.045 1.811 511 HB3 PHE 67 HB2 PHE 67 3.285 -5.623 3.087 512 HD1 PHE 67 HD2 PHE 67 4.106 -3.142 3.082 513 HD2 PHE 67 HD1 PHE 67 0.696 -4.596 1.064 514 HE1 PHE 67 HE2 PHE 67 3.280 -0.850 2.846 515 HE2 PHE 67 HE1 PHE 67 -0.141 -2.316 0.803 516 HZ PHE 67 HZ PHE 67 1.136 -0.428 1.693 517 H GLU 68 H GLU 68 4.010 -7.727 -0.537 518 HA GLU 68 HA GLU 68 5.040 -9.683 1.308 519 HB2 GLU 68 HB3 GLU 68 3.350 -10.166 -0.451 520 HB3 GLU 68 HB2 GLU 68 4.493 -9.648 -1.675 521 HG2 GLU 68 HG3 GLU 68 6.004 -11.485 -0.975 522 HG3 GLU 68 HG2 GLU 68 4.750 -12.039 0.138 523 H ILE 69 H ILE 69 6.080 -8.259 -1.754 524 HA ILE 69 HA ILE 69 8.532 -9.389 -1.668 525 HB ILE 69 HB ILE 69 9.205 -7.828 -3.409 526 HG12 ILE 69 HG13 ILE 69 6.493 -6.590 -2.937 527 HG13 ILE 69 HG12 ILE 69 8.053 -5.807 -2.663 528 HG21 ILE 69 HG21 ILE 69 6.493 -8.571 -4.200 529 HG22 ILE 69 HG22 ILE 69 7.454 -9.872 -3.482 530 HG23 ILE 69 HG23 ILE 69 8.041 -9.012 -4.914 531 HD11 ILE 69 HD11 ILE 69 7.611 -6.991 -5.227 532 HD12 ILE 69 HD12 ILE 69 8.401 -5.453 -4.842 533 HD13 ILE 69 HD13 ILE 69 6.615 -5.546 -4.862 534 H SER 70 H SER 70 7.540 -6.427 -0.274 535 HA SER 70 HA SER 70 10.246 -5.704 0.423 536 HB2 SER 70 HB3 SER 70 7.605 -4.511 1.235 537 HB3 SER 70 HB2 SER 70 9.196 -3.801 1.529 538 HG SER 70 HG SER 70 7.877 -4.275 -0.882 539 H ARG 71 H ARG 71 11.075 -5.851 2.374 540 HA ARG 71 HA ARG 71 10.176 -8.020 3.922 541 HB2 ARG 71 HB3 ARG 71 12.532 -6.221 4.334 542 HB3 ARG 71 HB2 ARG 71 12.218 -7.684 5.256 543 HG2 ARG 71 HG3 ARG 71 12.535 -7.557 2.312 544 HG3 ARG 71 HG2 ARG 71 13.853 -8.024 3.414 545 HD2 ARG 71 HD3 ARG 71 12.335 -9.946 4.117 546 HD3 ARG 71 HD2 ARG 71 11.219 -9.461 2.849 547 HE ARG 71 HE ARG 71 13.745 -9.668 1.707 548 HH11 ARG 71 HH11 ARG 71 11.396 -11.892 3.108 549 HH12 ARG 71 HH12 ARG 71 11.855 -13.235 2.168 550 HH21 ARG 71 HH22 ARG 71 14.426 -11.451 0.452 551 HH22 ARG 71 HH21 ARG 71 13.709 -12.976 0.586 552 H ARG 72 H ARG 72 8.172 -6.601 4.307 553 HA ARG 72 HA ARG 72 8.320 -5.770 7.112 554 HB2 ARG 72 HB3 ARG 72 8.468 -3.633 5.692 555 HB3 ARG 72 HB2 ARG 72 6.860 -4.019 5.081 556 HG2 ARG 72 HG3 ARG 72 6.536 -2.489 6.848 557 HG3 ARG 72 HG2 ARG 72 6.095 -4.088 7.480 558 HD2 ARG 72 HD3 ARG 72 8.546 -4.163 8.324 559 HD3 ARG 72 HD2 ARG 72 8.539 -2.419 8.045 560 HE ARG 72 HE ARG 72 6.426 -3.523 9.665 561 HH11 ARG 72 HH11 ARG 72 8.828 -1.118 9.665 562 HH12 ARG 72 HH12 ARG 72 9.273 -1.216 11.322 563 HH21 ARG 72 HH22 ARG 72 6.891 -3.846 11.889 564 HH22 ARG 72 HH21 ARG 72 8.039 -2.861 12.715 565 HA PRO 73 HA PRO 73 4.884 -8.750 5.741 566 HB2 PRO 73 HB2 PRO 73 5.667 -9.987 8.316 567 HB3 PRO 73 HB3 PRO 73 5.338 -10.731 6.750 568 HG2 PRO 73 HG3 PRO 73 7.832 -10.470 7.623 569 HG3 PRO 73 HG2 PRO 73 7.425 -10.231 5.916 570 HD2 PRO 73 HD3 PRO 73 7.938 -8.205 8.047 571 HD3 PRO 73 HD2 PRO 73 8.475 -8.222 6.340 572 H ASP 74 H ASP 74 5.300 -6.762 8.547 573 HA ASP 74 HA ASP 74 2.946 -7.509 10.079 574 HB2 ASP 74 HB3 ASP 74 4.197 -4.735 9.967 575 HB3 ASP 74 HB2 ASP 74 3.138 -5.374 11.210 576 H LEU 75 H LEU 75 3.728 -5.149 7.902 577 HA LEU 75 HA LEU 75 1.173 -3.923 7.652 578 HB2 LEU 75 HB3 LEU 75 3.569 -3.687 5.894 579 HB3 LEU 75 HB2 LEU 75 2.081 -2.841 5.516 580 HG LEU 75 HG LEU 75 2.297 -1.485 7.581 581 HD11 LEU 75 HD11 LEU 75 3.737 -1.829 9.260 582 HD12 LEU 75 HD12 LEU 75 5.039 -2.337 8.192 583 HD13 LEU 75 HD13 LEU 75 3.790 -3.483 8.653 584 HD21 LEU 75 HD21 LEU 75 4.396 -0.364 6.981 585 HD22 LEU 75 HD22 LEU 75 3.268 -0.621 5.653 586 HD23 LEU 75 HD23 LEU 75 4.688 -1.661 5.814 587 H LEU 76 H LEU 76 2.803 -6.026 5.665 588 HA LEU 76 HA LEU 76 0.911 -6.729 3.604 589 HB2 LEU 76 HB3 LEU 76 3.085 -8.054 3.852 590 HB3 LEU 76 HB2 LEU 76 2.211 -8.945 5.134 591 HG LEU 76 HG LEU 76 0.460 -9.251 3.393 592 HD11 LEU 76 HD11 LEU 76 2.553 -9.087 1.390 593 HD12 LEU 76 HD12 LEU 76 1.408 -7.812 1.776 594 HD13 LEU 76 HD13 LEU 76 0.822 -9.378 1.219 595 HD21 LEU 76 HD21 LEU 76 2.137 -11.262 2.488 596 HD22 LEU 76 HD22 LEU 76 1.032 -11.285 3.873 597 HD23 LEU 76 HD23 LEU 76 2.723 -10.845 4.118 598 H THR 77 H THR 77 1.275 -8.204 6.634 599 HA THR 77 HA THR 77 -0.863 -9.849 6.966 600 HB THR 77 HB THR 77 0.421 -8.036 8.919 601 HG1 THR 77 HG1 THR 77 1.897 -9.527 8.232 602 HG21 THR 77 HG21 THR 77 -1.665 -10.020 9.229 603 HG22 THR 77 HG22 THR 77 -1.362 -8.496 10.085 604 HG23 THR 77 HG23 THR 77 -0.403 -9.953 10.520 605 H MET 78 H MET 78 -0.766 -6.454 7.695 606 HA MET 78 HA MET 78 -3.413 -6.145 8.569 607 HB2 MET 78 HB3 MET 78 -1.637 -4.102 7.256 608 HB3 MET 78 HB2 MET 78 -3.145 -3.714 8.068 609 HG2 MET 78 HG3 MET 78 -0.885 -5.149 9.348 610 HG3 MET 78 HG2 MET 78 -1.090 -3.373 9.471 611 HE1 MET 78 HE1 MET 78 -0.580 -5.078 11.862 612 HE2 MET 78 HE2 MET 78 -1.857 -4.765 13.036 613 HE3 MET 78 HE3 MET 78 -1.133 -3.425 12.155 614 H VAL 79 H VAL 79 -2.050 -6.045 5.337 615 HA VAL 79 HA VAL 79 -4.446 -5.209 3.980 616 HB VAL 79 HB VAL 79 -2.052 -6.719 2.906 617 HG11 VAL 79 HG11 VAL 79 -2.835 -5.143 0.862 618 HG12 VAL 79 HG12 VAL 79 -4.381 -5.480 1.645 619 HG13 VAL 79 HG13 VAL 79 -3.371 -6.812 1.098 620 HG21 VAL 79 HG21 VAL 79 -1.676 -4.475 4.154 621 HG22 VAL 79 HG22 VAL 79 -2.252 -3.757 2.642 622 HG23 VAL 79 HG23 VAL 79 -0.841 -4.801 2.634 623 H VAL 80 H VAL 80 -2.773 -8.260 4.464 624 HA VAL 80 HA VAL 80 -4.577 -10.016 3.247 625 HB VAL 80 HB VAL 80 -2.781 -10.452 5.692 626 HG11 VAL 80 HG11 VAL 80 -4.133 -12.506 3.921 627 HG12 VAL 80 HG12 VAL 80 -4.485 -12.151 5.622 628 HG13 VAL 80 HG13 VAL 80 -2.921 -12.857 5.178 629 HG21 VAL 80 HG21 VAL 80 -1.124 -10.255 4.208 630 HG22 VAL 80 HG22 VAL 80 -2.251 -10.262 2.847 631 HG23 VAL 80 HG23 VAL 80 -1.708 -11.785 3.521 632 H ASP 81 H ASP 81 -4.339 -9.163 6.471 633 HA ASP 81 HA ASP 81 -6.593 -10.368 7.594 634 HB2 ASP 81 HB3 ASP 81 -4.975 -9.511 9.123 635 HB3 ASP 81 HB2 ASP 81 -5.245 -7.853 8.594 636 H TYR 82 H TYR 82 -6.341 -7.217 6.347 637 HA TYR 82 HA TYR 82 -8.964 -6.111 6.575 638 HB2 TYR 82 HB3 TYR 82 -7.201 -4.763 5.867 639 HB3 TYR 82 HB2 TYR 82 -6.880 -5.779 4.450 640 HD1 TYR 82 HD2 TYR 82 -9.503 -3.628 5.959 641 HD2 TYR 82 HD1 TYR 82 -7.822 -5.301 2.443 642 HE1 TYR 82 HE2 TYR 82 -10.993 -2.273 4.571 643 HE2 TYR 82 HE1 TYR 82 -9.298 -3.993 1.071 644 HH TYR 82 HH TYR 82 -10.906 -2.400 1.057 645 H ARG 83 H ARG 83 -7.444 -7.839 3.848 646 HA ARG 83 HA ARG 83 -9.506 -7.715 2.108 647 HB2 ARG 83 HB3 ARG 83 -7.283 -8.047 1.485 648 HB3 ARG 83 HB2 ARG 83 -7.087 -9.386 2.569 649 HG2 ARG 83 HG3 ARG 83 -8.842 -9.594 0.226 650 HG3 ARG 83 HG2 ARG 83 -7.076 -9.699 0.010 651 HD2 ARG 83 HD3 ARG 83 -7.188 -11.554 1.773 652 HD3 ARG 83 HD2 ARG 83 -8.933 -11.522 1.568 653 HE ARG 83 HE ARG 83 -8.633 -12.802 -0.270 654 HH11 ARG 83 HH11 ARG 83 -5.558 -10.740 -0.082 655 HH12 ARG 83 HH12 ARG 83 -4.880 -11.368 -1.415 656 HH21 ARG 83 HH22 ARG 83 -7.536 -13.711 -2.172 657 HH22 ARG 83 HH21 ARG 83 -6.028 -13.082 -2.698 658 H THR 84 H THR 84 -8.679 -10.057 4.097 659 HA THR 84 HA THR 84 -10.803 -11.953 3.784 660 HB THR 84 HB THR 84 -9.321 -11.454 6.331 661 HG1 THR 84 HG1 THR 84 -7.678 -11.873 4.906 662 HG21 THR 84 HG21 THR 84 -11.172 -12.854 6.467 663 HG22 THR 84 HG22 THR 84 -9.686 -13.849 6.591 664 HG23 THR 84 HG23 THR 84 -10.571 -13.743 5.031 665 H ARG 85 H ARG 85 -10.325 -9.970 6.258 666 HA ARG 85 HA ARG 85 -12.684 -10.089 7.595 667 HB2 ARG 85 HB3 ARG 85 -12.485 -8.033 8.975 668 HB3 ARG 85 HB2 ARG 85 -11.057 -9.053 8.961 669 HG2 ARG 85 HG3 ARG 85 -9.964 -7.433 7.434 670 HG3 ARG 85 HG2 ARG 85 -11.384 -6.393 7.548 671 HD2 ARG 85 HD3 ARG 85 -11.209 -6.150 9.800 672 HD3 ARG 85 HD2 ARG 85 -10.046 -7.464 9.975 673 HE ARG 85 HE ARG 85 -8.406 -6.064 9.647 674 HH11 ARG 85 HH11 ARG 85 -11.270 -4.225 8.630 675 HH12 ARG 85 HH12 ARG 85 -10.397 -2.808 8.189 676 HH21 ARG 85 HH22 ARG 85 -7.207 -4.137 9.051 677 HH22 ARG 85 HH21 ARG 85 -7.943 -2.736 8.505 678 H VAL 86 H VAL 86 -12.020 -7.664 5.527 679 HA VAL 86 HA VAL 86 -14.533 -6.504 5.587 680 HB VAL 86 HB VAL 86 -12.457 -6.296 3.451 681 HG11 VAL 86 HG11 VAL 86 -14.079 -5.341 2.074 682 HG12 VAL 86 HG12 VAL 86 -14.119 -4.043 3.253 683 HG13 VAL 86 HG13 VAL 86 -15.268 -5.371 3.381 684 HG21 VAL 86 HG21 VAL 86 -12.870 -3.894 4.672 685 HG22 VAL 86 HG22 VAL 86 -11.614 -5.069 5.088 686 HG23 VAL 86 HG23 VAL 86 -13.146 -5.085 5.955 687 H LEU 87 H LEU 87 -13.380 -9.081 3.689 688 HA LEU 87 HA LEU 87 -15.659 -9.572 2.015 689 HB2 LEU 87 HB3 LEU 87 -13.677 -11.391 3.288 690 HB3 LEU 87 HB2 LEU 87 -14.931 -12.002 2.198 691 HG LEU 87 HG LEU 87 -12.638 -10.127 1.556 692 HD11 LEU 87 HD11 LEU 87 -13.097 -12.845 0.380 693 HD12 LEU 87 HD12 LEU 87 -12.295 -12.669 1.934 694 HD13 LEU 87 HD13 LEU 87 -11.590 -11.925 0.503 695 HD21 LEU 87 HD21 LEU 87 -13.380 -10.452 -0.814 696 HD22 LEU 87 HD22 LEU 87 -14.499 -9.514 0.176 697 HD23 LEU 87 HD23 LEU 87 -14.848 -11.201 -0.202 698 H LYS 88 H LYS 88 -14.761 -10.693 5.162 699 HA LYS 88 HA LYS 88 -17.078 -12.204 5.646 700 HB2 LYS 88 HB3 LYS 88 -14.988 -12.651 6.725 701 HB3 LYS 88 HB2 LYS 88 -15.141 -11.153 7.640 702 HG2 LYS 88 HG3 LYS 88 -16.938 -11.981 8.876 703 HG3 LYS 88 HG2 LYS 88 -17.198 -13.328 7.768 704 HD2 LYS 88 HD3 LYS 88 -15.126 -14.154 8.207 705 HD3 LYS 88 HD2 LYS 88 -14.730 -12.890 9.393 706 HE2 LYS 88 HE3 LYS 88 -16.640 -13.687 10.789 707 HE3 LYS 88 HE2 LYS 88 -16.965 -14.949 9.617 708 HZ1 LYS 88 HZ1 LYS 88 -15.770 -16.002 11.292 709 HZ2 LYS 88 HZ2 LYS 88 -14.657 -14.731 11.479 710 HZ3 LYS 88 HZ3 LYS 88 -14.597 -15.707 10.115 711 H ILE 89 H ILE 89 -16.357 -8.814 6.418 712 HA ILE 89 HA ILE 89 -18.595 -8.394 8.054 713 HB ILE 89 HB ILE 89 -16.673 -6.660 6.547 714 HG12 ILE 89 HG13 ILE 89 -16.871 -7.285 9.504 715 HG13 ILE 89 HG12 ILE 89 -15.650 -7.845 8.360 716 HG21 ILE 89 HG21 ILE 89 -17.450 -4.743 7.663 717 HG22 ILE 89 HG22 ILE 89 -18.770 -5.692 8.408 718 HG23 ILE 89 HG23 ILE 89 -18.644 -5.539 6.626 719 HD11 ILE 89 HD11 ILE 89 -15.183 -5.340 8.001 720 HD12 ILE 89 HD12 ILE 89 -14.557 -6.137 9.447 721 HD13 ILE 89 HD13 ILE 89 -16.013 -5.158 9.560 722 H SER 90 H SER 90 -17.727 -7.581 4.737 723 HA SER 90 HA SER 90 -20.336 -6.512 4.200 724 HB2 SER 90 HB3 SER 90 -17.934 -6.864 2.421 725 HB3 SER 90 HB2 SER 90 -19.367 -5.915 2.028 726 HG SER 90 HG SER 90 -17.241 -5.163 3.403
Contact the webmaster for help, if required. Thursday, May 23, 2024 10:08:19 PM GMT (wattos1)