NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617280 | 5ghb | 36006 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 4.314 4.443 18.577 2 HA MET 1 HA MET 1 4.607 6.558 17.489 3 HB2 MET 1 HB2 MET 1 3.640 5.798 15.197 4 HB3 MET 1 HB3 MET 1 4.888 4.838 15.971 5 HG2 MET 1 HG2 MET 1 3.133 3.456 15.000 6 HG3 MET 1 HG3 MET 1 3.240 3.247 16.742 7 HE1 MET 1 HE1 MET 1 0.889 2.054 16.814 8 HE2 MET 1 HE2 MET 1 0.779 2.201 15.059 9 HE3 MET 1 HE3 MET 1 -0.569 2.714 16.074 10 H ALA 2 H ALA 2 1.734 6.402 18.926 11 HA ALA 2 HA ALA 2 0.245 8.107 17.103 12 HB1 ALA 2 HB1 ALA 2 -0.441 7.144 19.879 13 HB2 ALA 2 HB2 ALA 2 -0.928 6.365 18.374 14 HB3 ALA 2 HB3 ALA 2 -1.530 7.976 18.770 15 H ASP 3 H ASP 3 2.567 9.281 17.739 16 HA ASP 3 HA ASP 3 2.288 11.023 20.020 17 HB2 ASP 3 HB2 ASP 3 4.406 10.790 17.888 18 HB3 ASP 3 HB3 ASP 3 4.456 12.007 19.158 19 H GLU 4 H GLU 4 0.515 11.152 17.449 20 HA GLU 4 HA GLU 4 1.002 13.884 16.654 21 HB2 GLU 4 HB2 GLU 4 -1.045 11.831 15.770 22 HB3 GLU 4 HB3 GLU 4 -0.902 13.451 15.103 23 HG2 GLU 4 HG2 GLU 4 1.323 11.430 15.025 24 HG3 GLU 4 HG3 GLU 4 0.132 11.621 13.739 25 H LYS 5 H LYS 5 0.158 15.416 17.868 26 HA LYS 5 HA LYS 5 -2.457 15.071 19.063 27 HB2 LYS 5 HB2 LYS 5 0.035 15.416 20.710 28 HB3 LYS 5 HB3 LYS 5 -1.573 15.768 21.336 29 HG2 LYS 5 HG2 LYS 5 -2.193 13.413 20.881 30 HG3 LYS 5 HG3 LYS 5 -0.529 13.110 20.380 31 HD2 LYS 5 HD2 LYS 5 0.251 13.780 22.598 32 HD3 LYS 5 HD3 LYS 5 -1.420 14.070 23.087 33 HE2 LYS 5 HE2 LYS 5 -0.779 11.918 23.913 34 HE3 LYS 5 HE3 LYS 5 -1.911 11.686 22.582 35 HZ1 LYS 5 HZ1 LYS 5 0.026 10.179 22.544 36 HZ2 LYS 5 HZ2 LYS 5 1.037 11.507 22.295 37 HZ3 LYS 5 HZ3 LYS 5 -0.125 11.095 21.132 38 HA PRO 6 HA PRO 6 -1.839 19.400 17.903 39 HB2 PRO 6 HB2 PRO 6 -4.106 19.690 16.523 40 HB3 PRO 6 HB3 PRO 6 -2.720 18.837 15.834 41 HG2 PRO 6 HG2 PRO 6 -5.253 17.739 16.951 42 HG3 PRO 6 HG3 PRO 6 -4.258 17.135 15.616 43 HD2 PRO 6 HD2 PRO 6 -4.245 16.182 18.278 44 HD3 PRO 6 HD3 PRO 6 -3.056 15.807 17.020 45 H LYS 7 H LYS 7 -2.468 21.135 19.140 46 HA LYS 7 HA LYS 7 -4.592 20.807 21.069 47 HB2 LYS 7 HB2 LYS 7 -2.303 21.822 21.529 48 HB3 LYS 7 HB3 LYS 7 -2.828 23.210 20.590 49 HG2 LYS 7 HG2 LYS 7 -4.820 23.258 22.212 50 HG3 LYS 7 HG3 LYS 7 -3.801 22.243 23.234 51 HD2 LYS 7 HD2 LYS 7 -3.065 24.968 22.155 52 HD3 LYS 7 HD3 LYS 7 -3.576 24.626 23.809 53 HE2 LYS 7 HE2 LYS 7 -1.617 23.253 24.163 54 HE3 LYS 7 HE3 LYS 7 -1.137 23.450 22.478 55 HZ1 LYS 7 HZ1 LYS 7 0.101 24.927 23.948 56 HZ2 LYS 7 HZ2 LYS 7 -1.337 25.631 24.479 57 HZ3 LYS 7 HZ3 LYS 7 -0.858 25.816 22.873 58 H GLU 8 H GLU 8 -5.004 21.187 18.080 59 HA GLU 8 HA GLU 8 -6.014 23.734 17.506 60 HB2 GLU 8 HB2 GLU 8 -6.664 21.055 16.288 61 HB3 GLU 8 HB3 GLU 8 -7.201 22.593 15.627 62 HG2 GLU 8 HG2 GLU 8 -4.893 23.279 15.315 63 HG3 GLU 8 HG3 GLU 8 -4.339 21.757 16.007 64 H GLY 9 H GLY 9 -8.406 23.988 16.747 65 HA2 GLY 9 HA2 GLY 9 -10.071 23.158 19.029 66 HA3 GLY 9 HA3 GLY 9 -10.220 24.719 18.225 67 H VAL 10 H VAL 10 -9.814 21.504 16.887 68 HA VAL 10 HA VAL 10 -11.622 21.861 14.788 69 HB VAL 10 HB VAL 10 -9.888 20.186 14.637 70 HG11 VAL 10 HG11 VAL 10 -9.947 18.103 15.944 71 HG12 VAL 10 HG12 VAL 10 -11.290 18.752 16.887 72 HG13 VAL 10 HG13 VAL 10 -9.709 19.529 16.957 73 HG21 VAL 10 HG21 VAL 10 -12.576 18.829 14.671 74 HG22 VAL 10 HG22 VAL 10 -11.137 18.298 13.794 75 HG23 VAL 10 HG23 VAL 10 -11.935 19.805 13.350 76 H LYS 11 H LYS 11 -13.751 21.818 14.694 77 HA LYS 11 HA LYS 11 -15.262 20.486 16.853 78 HB2 LYS 11 HB2 LYS 11 -15.253 22.870 17.260 79 HB3 LYS 11 HB3 LYS 11 -15.830 23.174 15.628 80 HG2 LYS 11 HG2 LYS 11 -17.882 21.897 16.179 81 HG3 LYS 11 HG3 LYS 11 -17.309 21.790 17.844 82 HD2 LYS 11 HD2 LYS 11 -17.364 24.171 18.074 83 HD3 LYS 11 HD3 LYS 11 -17.734 24.375 16.361 84 HE2 LYS 11 HE2 LYS 11 -19.772 24.625 17.559 85 HE3 LYS 11 HE3 LYS 11 -19.803 23.061 16.743 86 HZ1 LYS 11 HZ1 LYS 11 -19.194 22.000 18.822 87 HZ2 LYS 11 HZ2 LYS 11 -20.620 22.881 18.993 88 HZ3 LYS 11 HZ3 LYS 11 -19.173 23.500 19.605 89 H THR 12 H THR 12 -15.751 22.001 13.649 90 HA THR 12 HA THR 12 -18.154 20.571 13.237 91 HB THR 12 HB THR 12 -18.084 22.646 12.146 92 HG1 THR 12 HG1 THR 12 -19.077 21.111 10.846 93 HG21 THR 12 HG21 THR 12 -15.655 22.956 12.061 94 HG22 THR 12 HG22 THR 12 -16.397 23.317 10.506 95 HG23 THR 12 HG23 THR 12 -15.548 21.794 10.740 96 H GLU 13 H GLU 13 -15.101 20.251 11.481 97 HA GLU 13 HA GLU 13 -15.927 17.495 10.907 98 HB2 GLU 13 HB2 GLU 13 -14.302 17.660 8.959 99 HB3 GLU 13 HB3 GLU 13 -15.804 18.562 8.836 100 HG2 GLU 13 HG2 GLU 13 -14.669 20.615 9.379 101 HG3 GLU 13 HG3 GLU 13 -13.163 19.744 9.666 102 H ASN 14 H ASN 14 -15.050 16.406 12.569 103 HA ASN 14 HA ASN 14 -12.271 16.831 13.213 104 HB2 ASN 14 HB2 ASN 14 -12.736 14.968 14.918 105 HB3 ASN 14 HB3 ASN 14 -13.478 16.545 15.151 106 HD21 ASN 14 HD21 ASN 14 -15.692 16.775 14.814 107 HD22 ASN 14 HD22 ASN 14 -16.764 15.422 14.776 108 H ASN 15 H ASN 15 -11.187 16.175 11.550 109 HA ASN 15 HA ASN 15 -11.015 13.274 11.166 110 HB2 ASN 15 HB2 ASN 15 -10.854 15.161 8.808 111 HB3 ASN 15 HB3 ASN 15 -10.950 13.408 8.782 112 HD21 ASN 15 HD21 ASN 15 -12.987 12.422 9.341 113 HD22 ASN 15 HD22 ASN 15 -14.454 13.299 9.115 114 H ASP 16 H ASP 16 -8.962 12.689 10.042 115 HA ASP 16 HA ASP 16 -6.808 14.613 10.145 116 HB2 ASP 16 HB2 ASP 16 -6.851 13.995 12.489 117 HB3 ASP 16 HB3 ASP 16 -6.903 12.284 12.064 118 H HIS 17 H HIS 17 -7.265 11.116 10.329 119 HA HIS 17 HA HIS 17 -5.939 10.865 7.754 120 HB2 HIS 17 HB2 HIS 17 -4.574 8.979 8.543 121 HB3 HIS 17 HB3 HIS 17 -4.172 10.458 9.405 122 HD1 HIS 17 HD1 HIS 17 -4.897 10.568 11.934 123 HD2 HIS 17 HD2 HIS 17 -5.437 6.907 10.051 124 HE1 HIS 17 HE1 HIS 17 -5.320 8.906 13.785 125 HE2 HIS 17 HE2 HIS 17 -6.017 6.833 12.587 126 H ILE 18 H ILE 18 -6.319 8.705 6.791 127 HA ILE 18 HA ILE 18 -9.008 7.829 7.579 128 HB ILE 18 HB ILE 18 -9.434 7.279 5.221 129 HG12 ILE 18 HG12 ILE 18 -6.915 8.864 4.620 130 HG13 ILE 18 HG13 ILE 18 -7.000 7.103 4.567 131 HG21 ILE 18 HG21 ILE 18 -10.239 9.368 6.162 132 HG22 ILE 18 HG22 ILE 18 -9.767 9.605 4.479 133 HG23 ILE 18 HG23 ILE 18 -8.707 10.156 5.776 134 HD11 ILE 18 HD11 ILE 18 -8.682 7.262 2.797 135 HD12 ILE 18 HD12 ILE 18 -7.174 8.060 2.356 136 HD13 ILE 18 HD13 ILE 18 -8.567 9.022 2.858 137 H ASN 19 H ASN 19 -9.591 5.671 6.629 138 HA ASN 19 HA ASN 19 -7.479 3.776 7.334 139 HB2 ASN 19 HB2 ASN 19 -10.427 3.257 6.890 140 HB3 ASN 19 HB3 ASN 19 -9.261 2.159 7.618 141 HD21 ASN 19 HD21 ASN 19 -11.280 4.929 8.085 142 HD22 ASN 19 HD22 ASN 19 -11.059 5.053 9.788 143 H LEU 20 H LEU 20 -6.757 2.293 5.898 144 HA LEU 20 HA LEU 20 -8.090 2.128 3.277 145 HB2 LEU 20 HB2 LEU 20 -5.276 2.824 3.851 146 HB3 LEU 20 HB3 LEU 20 -5.509 1.632 2.590 147 HG LEU 20 HG LEU 20 -5.341 3.731 1.516 148 HD11 LEU 20 HD11 LEU 20 -8.288 3.137 1.669 149 HD12 LEU 20 HD12 LEU 20 -7.125 2.234 0.699 150 HD13 LEU 20 HD13 LEU 20 -7.421 3.938 0.359 151 HD21 LEU 20 HD21 LEU 20 -6.749 5.652 2.067 152 HD22 LEU 20 HD22 LEU 20 -5.724 5.177 3.421 153 HD23 LEU 20 HD23 LEU 20 -7.436 4.755 3.420 154 H LYS 21 H LYS 21 -7.543 0.175 2.081 155 HA LYS 21 HA LYS 21 -6.704 -2.056 3.786 156 HB2 LYS 21 HB2 LYS 21 -9.154 -1.943 2.045 157 HB3 LYS 21 HB3 LYS 21 -8.533 -3.411 2.783 158 HG2 LYS 21 HG2 LYS 21 -8.990 -2.637 4.941 159 HG3 LYS 21 HG3 LYS 21 -9.329 -1.004 4.364 160 HD2 LYS 21 HD2 LYS 21 -11.414 -2.144 4.870 161 HD3 LYS 21 HD3 LYS 21 -11.283 -1.884 3.130 162 HE2 LYS 21 HE2 LYS 21 -10.537 -4.189 2.838 163 HE3 LYS 21 HE3 LYS 21 -10.637 -4.447 4.582 164 HZ1 LYS 21 HZ1 LYS 21 -12.582 -5.315 3.508 165 HZ2 LYS 21 HZ2 LYS 21 -12.894 -3.839 2.753 166 HZ3 LYS 21 HZ3 LYS 21 -13.025 -3.974 4.432 167 H VAL 22 H VAL 22 -5.765 -3.751 2.669 168 HA VAL 22 HA VAL 22 -5.313 -3.290 -0.202 169 HB VAL 22 HB VAL 22 -3.200 -4.204 1.776 170 HG11 VAL 22 HG11 VAL 22 -3.024 -3.952 -1.207 171 HG12 VAL 22 HG12 VAL 22 -3.102 -5.466 -0.304 172 HG13 VAL 22 HG13 VAL 22 -1.715 -4.391 -0.107 173 HG21 VAL 22 HG21 VAL 22 -3.224 -1.825 -0.074 174 HG22 VAL 22 HG22 VAL 22 -2.013 -2.211 1.150 175 HG23 VAL 22 HG23 VAL 22 -3.642 -1.744 1.631 176 H ALA 23 H ALA 23 -6.158 -4.842 -1.295 177 HA ALA 23 HA ALA 23 -6.561 -7.456 -0.082 178 HB1 ALA 23 HB1 ALA 23 -7.967 -7.924 -2.013 179 HB2 ALA 23 HB2 ALA 23 -7.518 -6.377 -2.730 180 HB3 ALA 23 HB3 ALA 23 -8.454 -6.418 -1.234 181 H GLY 24 H GLY 24 -5.354 -9.119 -0.541 182 HA2 GLY 24 HA2 GLY 24 -3.181 -8.740 -2.429 183 HA3 GLY 24 HA3 GLY 24 -3.299 -10.018 -1.225 184 H GLN 25 H GLN 25 -2.612 -10.600 -3.805 185 HA GLN 25 HA GLN 25 -4.839 -11.406 -5.369 186 HB2 GLN 25 HB2 GLN 25 -3.189 -12.729 -6.686 187 HB3 GLN 25 HB3 GLN 25 -2.738 -11.048 -6.474 188 HG2 GLN 25 HG2 GLN 25 -0.760 -12.236 -6.185 189 HG3 GLN 25 HG3 GLN 25 -1.278 -11.849 -4.547 190 HE21 GLN 25 HE21 GLN 25 -0.208 -13.510 -3.577 191 HE22 GLN 25 HE22 GLN 25 -0.623 -15.174 -3.787 192 H ASP 26 H ASP 26 -3.500 -12.668 -2.568 193 HA ASP 26 HA ASP 26 -4.216 -15.424 -3.009 194 HB2 ASP 26 HB2 ASP 26 -2.309 -14.758 -1.558 195 HB3 ASP 26 HB3 ASP 26 -3.451 -14.024 -0.439 196 H GLY 27 H GLY 27 -5.874 -12.614 -2.171 197 HA2 GLY 27 HA2 GLY 27 -8.243 -12.581 -1.966 198 HA3 GLY 27 HA3 GLY 27 -8.185 -14.225 -1.353 199 H SER 28 H SER 28 -5.856 -12.263 0.077 200 HA SER 28 HA SER 28 -7.536 -11.987 2.456 201 HB2 SER 28 HB2 SER 28 -5.532 -13.331 2.815 202 HB3 SER 28 HB3 SER 28 -4.524 -12.031 2.182 203 HG SER 28 HG SER 28 -4.396 -11.613 4.249 204 H VAL 29 H VAL 29 -7.408 -10.058 3.621 205 HA VAL 29 HA VAL 29 -6.309 -7.804 2.138 206 HB VAL 29 HB VAL 29 -8.726 -8.031 1.571 207 HG11 VAL 29 HG11 VAL 29 -9.575 -8.886 3.675 208 HG12 VAL 29 HG12 VAL 29 -10.411 -7.387 3.256 209 HG13 VAL 29 HG13 VAL 29 -9.143 -7.378 4.484 210 HG21 VAL 29 HG21 VAL 29 -7.649 -5.871 1.379 211 HG22 VAL 29 HG22 VAL 29 -7.953 -5.538 3.084 212 HG23 VAL 29 HG23 VAL 29 -9.304 -5.659 1.952 213 H VAL 30 H VAL 30 -5.414 -6.242 3.408 214 HA VAL 30 HA VAL 30 -5.614 -6.655 6.298 215 HB VAL 30 HB VAL 30 -3.342 -6.766 5.300 216 HG11 VAL 30 HG11 VAL 30 -3.791 -3.875 4.597 217 HG12 VAL 30 HG12 VAL 30 -3.634 -5.217 3.466 218 HG13 VAL 30 HG13 VAL 30 -2.260 -4.738 4.466 219 HG21 VAL 30 HG21 VAL 30 -3.514 -6.122 7.615 220 HG22 VAL 30 HG22 VAL 30 -3.835 -4.448 7.166 221 HG23 VAL 30 HG23 VAL 30 -2.251 -5.156 6.851 222 H GLN 31 H GLN 31 -6.217 -4.992 7.651 223 HA GLN 31 HA GLN 31 -7.235 -2.574 6.338 224 HB2 GLN 31 HB2 GLN 31 -8.008 -3.472 9.079 225 HB3 GLN 31 HB3 GLN 31 -8.903 -2.463 7.953 226 HG2 GLN 31 HG2 GLN 31 -9.159 -4.462 6.483 227 HG3 GLN 31 HG3 GLN 31 -8.467 -5.429 7.783 228 HE21 GLN 31 HE21 GLN 31 -11.170 -3.630 6.690 229 HE22 GLN 31 HE22 GLN 31 -12.266 -4.161 7.905 230 H PHE 32 H PHE 32 -6.303 -0.720 6.848 231 HA PHE 32 HA PHE 32 -4.801 -0.420 9.326 232 HB2 PHE 32 HB2 PHE 32 -2.785 0.377 8.119 233 HB3 PHE 32 HB3 PHE 32 -3.078 -1.352 7.946 234 HD1 PHE 32 HD1 PHE 32 -4.334 -2.083 5.808 235 HD2 PHE 32 HD2 PHE 32 -2.416 1.689 6.237 236 HE1 PHE 32 HE1 PHE 32 -4.287 -1.843 3.378 237 HE2 PHE 32 HE2 PHE 32 -2.357 1.937 3.801 238 HZ PHE 32 HZ PHE 32 -3.289 0.173 2.362 239 H LYS 33 H LYS 33 -3.818 1.790 9.466 240 HA LYS 33 HA LYS 33 -5.648 3.737 8.242 241 HB2 LYS 33 HB2 LYS 33 -4.289 4.001 10.923 242 HB3 LYS 33 HB3 LYS 33 -5.534 5.046 10.250 243 HG2 LYS 33 HG2 LYS 33 -7.044 3.022 10.249 244 HG3 LYS 33 HG3 LYS 33 -5.816 2.230 11.217 245 HD2 LYS 33 HD2 LYS 33 -7.122 4.838 11.981 246 HD3 LYS 33 HD3 LYS 33 -7.653 3.261 12.563 247 HE2 LYS 33 HE2 LYS 33 -4.892 4.407 12.949 248 HE3 LYS 33 HE3 LYS 33 -6.173 4.461 14.151 249 HZ1 LYS 33 HZ1 LYS 33 -4.994 1.969 13.023 250 HZ2 LYS 33 HZ2 LYS 33 -6.190 2.053 14.216 251 HZ3 LYS 33 HZ3 LYS 33 -4.638 2.630 14.538 252 H ILE 34 H ILE 34 -4.775 5.471 7.221 253 HA ILE 34 HA ILE 34 -1.932 6.028 7.586 254 HB ILE 34 HB ILE 34 -2.033 4.486 5.659 255 HG12 ILE 34 HG12 ILE 34 -1.486 7.315 4.731 256 HG13 ILE 34 HG13 ILE 34 -0.371 6.349 5.690 257 HG21 ILE 34 HG21 ILE 34 -3.195 5.101 3.604 258 HG22 ILE 34 HG22 ILE 34 -3.853 6.530 4.403 259 HG23 ILE 34 HG23 ILE 34 -4.314 4.919 4.956 260 HD11 ILE 34 HD11 ILE 34 -1.341 5.688 2.916 261 HD12 ILE 34 HD12 ILE 34 -0.216 4.728 3.877 262 HD13 ILE 34 HD13 ILE 34 0.242 6.343 3.341 263 H LYS 35 H LYS 35 -1.343 8.187 7.090 264 HA LYS 35 HA LYS 35 -3.556 10.030 7.272 265 HB2 LYS 35 HB2 LYS 35 -0.652 10.754 7.037 266 HB3 LYS 35 HB3 LYS 35 -1.960 11.725 7.700 267 HG2 LYS 35 HG2 LYS 35 -2.122 9.680 9.374 268 HG3 LYS 35 HG3 LYS 35 -0.432 9.509 8.909 269 HD2 LYS 35 HD2 LYS 35 -1.687 12.022 10.017 270 HD3 LYS 35 HD3 LYS 35 -0.631 10.919 10.904 271 HE2 LYS 35 HE2 LYS 35 1.212 11.430 9.449 272 HE3 LYS 35 HE3 LYS 35 0.170 12.375 8.388 273 HZ1 LYS 35 HZ1 LYS 35 1.423 13.833 9.778 274 HZ2 LYS 35 HZ2 LYS 35 0.925 13.052 11.189 275 HZ3 LYS 35 HZ3 LYS 35 -0.192 13.911 10.258 276 H ARG 36 H ARG 36 -3.740 11.895 5.898 277 HA ARG 36 HA ARG 36 -3.920 11.179 3.202 278 HB2 ARG 36 HB2 ARG 36 -3.899 14.022 4.179 279 HB3 ARG 36 HB3 ARG 36 -4.800 13.335 2.840 280 HG2 ARG 36 HG2 ARG 36 -5.334 12.994 5.782 281 HG3 ARG 36 HG3 ARG 36 -6.337 13.813 4.585 282 HD2 ARG 36 HD2 ARG 36 -5.759 10.856 4.751 283 HD3 ARG 36 HD3 ARG 36 -7.288 11.650 5.110 284 HE ARG 36 HE ARG 36 -6.093 11.293 2.460 285 HH11 ARG 36 HH11 ARG 36 -8.854 12.195 4.443 286 HH12 ARG 36 HH12 ARG 36 -9.977 12.117 3.131 287 HH21 ARG 36 HH21 ARG 36 -7.600 11.242 0.708 288 HH22 ARG 36 HH22 ARG 36 -9.262 11.589 1.015 289 H HIS 37 H HIS 37 -1.560 13.090 4.991 290 HA HIS 37 HA HIS 37 -0.069 13.690 2.558 291 HB2 HIS 37 HB2 HIS 37 -0.472 15.443 4.282 292 HB3 HIS 37 HB3 HIS 37 0.486 14.501 5.418 293 HD1 HIS 37 HD1 HIS 37 2.751 15.454 5.643 294 HD2 HIS 37 HD2 HIS 37 1.286 15.888 1.783 295 HE1 HIS 37 HE1 HIS 37 4.569 16.612 4.359 296 HE2 HIS 37 HE2 HIS 37 3.632 16.938 2.048 297 H THR 38 H THR 38 -0.302 11.053 4.269 298 HA THR 38 HA THR 38 2.512 10.600 4.739 299 HB THR 38 HB THR 38 0.036 9.028 5.474 300 HG1 THR 38 HG1 THR 38 1.982 10.563 6.769 301 HG21 THR 38 HG21 THR 38 2.926 8.191 5.817 302 HG22 THR 38 HG22 THR 38 1.774 7.444 4.715 303 HG23 THR 38 HG23 THR 38 1.517 7.341 6.462 304 HA PRO 39 HA PRO 39 3.004 8.836 0.723 305 HB2 PRO 39 HB2 PRO 39 5.388 7.602 1.188 306 HB3 PRO 39 HB3 PRO 39 5.232 9.337 0.878 307 HG2 PRO 39 HG2 PRO 39 5.528 7.875 3.465 308 HG3 PRO 39 HG3 PRO 39 6.293 9.387 2.943 309 HD2 PRO 39 HD2 PRO 39 4.178 9.344 4.607 310 HD3 PRO 39 HD3 PRO 39 4.413 10.642 3.424 311 H LEU 40 H LEU 40 2.600 6.933 -0.296 312 HA LEU 40 HA LEU 40 1.510 4.764 1.002 313 HB2 LEU 40 HB2 LEU 40 2.460 5.403 -1.727 314 HB3 LEU 40 HB3 LEU 40 2.189 3.714 -1.348 315 HG LEU 40 HG LEU 40 -0.086 4.053 -0.980 316 HD11 LEU 40 HD11 LEU 40 -1.199 6.214 -0.960 317 HD12 LEU 40 HD12 LEU 40 0.375 7.004 -1.070 318 HD13 LEU 40 HD13 LEU 40 -0.034 6.044 0.352 319 HD21 LEU 40 HD21 LEU 40 0.742 5.735 -3.319 320 HD22 LEU 40 HD22 LEU 40 -0.881 5.095 -3.060 321 HD23 LEU 40 HD23 LEU 40 0.469 3.992 -3.314 322 H SER 41 H SER 41 4.801 5.569 0.673 323 HA SER 41 HA SER 41 6.117 3.173 0.386 324 HB2 SER 41 HB2 SER 41 6.916 5.282 2.403 325 HB3 SER 41 HB3 SER 41 7.973 4.205 1.490 326 HG SER 41 HG SER 41 6.595 5.477 -0.315 327 HH31 ALY 42 HH31 ALY 42 -0.982 2.105 10.030 328 HH32 ALY 42 HH32 ALY 42 -0.117 0.627 10.503 329 HH33 ALY 42 HH33 ALY 42 -0.960 0.720 8.944 330 HZ ALY 42 HZ ALY 42 -0.132 2.615 7.528 331 HE3 ALY 42 HE3 ALY 42 1.625 4.504 8.096 332 HE2 ALY 42 HE2 ALY 42 2.702 3.134 7.830 333 HD3 ALY 42 HD3 ALY 42 1.660 2.848 5.575 334 HD2 ALY 42 HD2 ALY 42 0.751 4.332 5.864 335 HG3 ALY 42 HG3 ALY 42 2.728 4.791 4.511 336 HG2 ALY 42 HG2 ALY 42 2.874 5.569 6.081 337 HB3 ALY 42 HB3 ALY 42 4.963 4.663 5.831 338 HB2 ALY 42 HB2 ALY 42 4.162 3.389 6.717 339 HCA ALY 42 HCA ALY 42 5.459 2.360 4.991 340 H ALY 42 H ALY 42 4.664 4.537 3.343 341 H LEU 43 H LEU 43 2.660 3.136 3.064 342 HA LEU 43 HA LEU 43 0.878 1.185 4.005 343 HB2 LEU 43 HB2 LEU 43 0.152 3.028 2.589 344 HB3 LEU 43 HB3 LEU 43 1.134 2.458 1.263 345 HG LEU 43 HG LEU 43 -1.113 0.767 2.342 346 HD11 LEU 43 HD11 LEU 43 -2.586 1.756 0.705 347 HD12 LEU 43 HD12 LEU 43 -1.314 2.863 0.195 348 HD13 LEU 43 HD13 LEU 43 -2.010 3.005 1.814 349 HD21 LEU 43 HD21 LEU 43 0.162 1.007 -0.383 350 HD22 LEU 43 HD22 LEU 43 -1.141 -0.099 0.060 351 HD23 LEU 43 HD23 LEU 43 0.456 -0.280 0.788 352 H MET 44 H MET 44 3.055 1.105 1.185 353 HA MET 44 HA MET 44 2.540 -1.533 0.462 354 HB2 MET 44 HB2 MET 44 4.911 0.255 0.008 355 HB3 MET 44 HB3 MET 44 4.946 -1.418 -0.519 356 HG2 MET 44 HG2 MET 44 4.279 -0.269 -2.419 357 HG3 MET 44 HG3 MET 44 2.764 -0.868 -1.748 358 HE1 MET 44 HE1 MET 44 1.913 2.592 -3.412 359 HE2 MET 44 HE2 MET 44 1.517 0.874 -3.390 360 HE3 MET 44 HE3 MET 44 3.104 1.408 -3.944 361 H LYS 45 H LYS 45 4.939 -0.223 2.707 362 HA LYS 45 HA LYS 45 6.154 -2.729 3.197 363 HB2 LYS 45 HB2 LYS 45 7.396 -0.718 3.677 364 HB3 LYS 45 HB3 LYS 45 6.175 -0.178 4.817 365 HG2 LYS 45 HG2 LYS 45 8.176 -1.039 5.934 366 HG3 LYS 45 HG3 LYS 45 6.742 -1.985 6.338 367 HD2 LYS 45 HD2 LYS 45 8.425 -3.581 5.958 368 HD3 LYS 45 HD3 LYS 45 7.493 -3.569 4.463 369 HE2 LYS 45 HE2 LYS 45 9.818 -3.599 3.900 370 HE3 LYS 45 HE3 LYS 45 9.181 -2.008 3.505 371 HZ1 LYS 45 HZ1 LYS 45 11.329 -1.876 4.619 372 HZ2 LYS 45 HZ2 LYS 45 10.707 -2.683 5.964 373 HZ3 LYS 45 HZ3 LYS 45 10.126 -1.150 5.556 374 H ALA 46 H ALA 46 3.560 -0.951 4.835 375 HA ALA 46 HA ALA 46 3.308 -2.545 7.111 376 HB1 ALA 46 HB1 ALA 46 1.018 -1.721 7.268 377 HB2 ALA 46 HB2 ALA 46 1.100 -1.154 5.598 378 HB3 ALA 46 HB3 ALA 46 2.129 -0.423 6.832 379 H TYR 47 H TYR 47 1.539 -2.842 4.021 380 HA TYR 47 HA TYR 47 0.198 -5.211 4.676 381 HB2 TYR 47 HB2 TYR 47 -0.593 -3.994 2.816 382 HB3 TYR 47 HB3 TYR 47 0.991 -3.961 2.049 383 HD1 TYR 47 HD1 TYR 47 -1.879 -6.111 2.894 384 HD2 TYR 47 HD2 TYR 47 1.693 -5.730 0.638 385 HE1 TYR 47 HE1 TYR 47 -2.493 -8.107 1.618 386 HE2 TYR 47 HE2 TYR 47 1.094 -7.728 -0.664 387 HH TYR 47 HH TYR 47 -2.004 -9.087 -0.564 388 H CYS 48 H CYS 48 3.311 -4.635 3.225 389 HA CYS 48 HA CYS 48 3.950 -7.263 2.454 390 HB2 CYS 48 HB2 CYS 48 5.495 -5.910 1.503 391 HB3 CYS 48 HB3 CYS 48 5.404 -4.728 2.804 392 HG CYS 48 HG CYS 48 7.307 -7.557 2.686 393 H GLU 49 H GLU 49 4.449 -5.554 5.457 394 HA GLU 49 HA GLU 49 5.945 -7.590 6.760 395 HB2 GLU 49 HB2 GLU 49 4.304 -5.316 7.864 396 HB3 GLU 49 HB3 GLU 49 5.396 -6.316 8.812 397 HG2 GLU 49 HG2 GLU 49 6.363 -4.866 6.401 398 HG3 GLU 49 HG3 GLU 49 6.200 -4.029 7.936 399 H ARG 50 H ARG 50 2.529 -6.770 6.618 400 HA ARG 50 HA ARG 50 1.679 -8.607 8.609 401 HB2 ARG 50 HB2 ARG 50 0.113 -7.410 6.322 402 HB3 ARG 50 HB3 ARG 50 -0.581 -8.213 7.722 403 HG2 ARG 50 HG2 ARG 50 1.017 -5.667 7.741 404 HG3 ARG 50 HG3 ARG 50 -0.731 -5.805 7.924 405 HD2 ARG 50 HD2 ARG 50 -0.456 -7.021 10.001 406 HD3 ARG 50 HD3 ARG 50 1.295 -7.036 9.794 407 HE ARG 50 HE ARG 50 0.545 -4.378 9.772 408 HH11 ARG 50 HH11 ARG 50 0.364 -7.059 12.025 409 HH12 ARG 50 HH12 ARG 50 0.458 -6.057 13.429 410 HH21 ARG 50 HH21 ARG 50 0.654 -3.044 11.633 411 HH22 ARG 50 HH22 ARG 50 0.618 -3.765 13.207 412 H GLN 51 H GLN 51 1.565 -8.750 5.067 413 HA GLN 51 HA GLN 51 0.522 -11.411 5.071 414 HB2 GLN 51 HB2 GLN 51 1.008 -9.355 3.125 415 HB3 GLN 51 HB3 GLN 51 1.634 -10.889 2.543 416 HG2 GLN 51 HG2 GLN 51 -0.676 -10.505 1.829 417 HG3 GLN 51 HG3 GLN 51 -0.517 -11.942 2.833 418 HE21 GLN 51 HE21 GLN 51 -0.506 -8.698 4.132 419 HE22 GLN 51 HE22 GLN 51 -2.039 -8.808 4.931 420 H GLY 52 H GLY 52 3.708 -10.097 5.184 421 HA2 GLY 52 HA2 GLY 52 5.686 -11.231 5.554 422 HA3 GLY 52 HA3 GLY 52 4.796 -12.744 5.458 423 H LEU 53 H LEU 53 5.610 -10.064 3.280 424 HA LEU 53 HA LEU 53 6.789 -11.921 1.421 425 HB2 LEU 53 HB2 LEU 53 5.405 -10.983 -0.498 426 HB3 LEU 53 HB3 LEU 53 4.627 -12.146 0.552 427 HG LEU 53 HG LEU 53 3.536 -10.192 1.735 428 HD11 LEU 53 HD11 LEU 53 3.390 -8.086 0.516 429 HD12 LEU 53 HD12 LEU 53 4.568 -8.687 -0.656 430 HD13 LEU 53 HD13 LEU 53 5.044 -8.436 1.022 431 HD21 LEU 53 HD21 LEU 53 1.827 -9.905 0.014 432 HD22 LEU 53 HD22 LEU 53 2.339 -11.588 0.140 433 HD23 LEU 53 HD23 LEU 53 2.923 -10.585 -1.189 434 H SER 54 H SER 54 7.510 -10.566 -0.622 435 HA SER 54 HA SER 54 8.912 -8.272 0.492 436 HB2 SER 54 HB2 SER 54 9.343 -9.872 -2.026 437 HB3 SER 54 HB3 SER 54 10.346 -8.514 -1.539 438 HG SER 54 HG SER 54 10.470 -11.072 -0.761 439 H MET 55 H MET 55 8.442 -6.220 -0.044 440 HA MET 55 HA MET 55 6.212 -5.578 -1.648 441 HB2 MET 55 HB2 MET 55 6.968 -3.208 -1.450 442 HB3 MET 55 HB3 MET 55 6.857 -4.037 0.094 443 HG2 MET 55 HG2 MET 55 9.116 -3.996 0.437 444 HG3 MET 55 HG3 MET 55 9.493 -3.969 -1.289 445 HE1 MET 55 HE1 MET 55 7.949 -0.288 1.045 446 HE2 MET 55 HE2 MET 55 8.146 -1.888 1.762 447 HE3 MET 55 HE3 MET 55 6.905 -1.617 0.540 448 H ARG 56 H ARG 56 9.551 -6.007 -2.412 449 HA ARG 56 HA ARG 56 9.499 -4.632 -4.922 450 HB2 ARG 56 HB2 ARG 56 11.690 -5.642 -5.284 451 HB3 ARG 56 HB3 ARG 56 11.576 -4.962 -3.666 452 HG2 ARG 56 HG2 ARG 56 11.079 -7.252 -2.816 453 HG3 ARG 56 HG3 ARG 56 11.407 -7.865 -4.433 454 HD2 ARG 56 HD2 ARG 56 13.344 -6.304 -2.744 455 HD3 ARG 56 HD3 ARG 56 13.347 -8.059 -2.925 456 HE ARG 56 HE ARG 56 14.002 -6.085 -4.994 457 HH11 ARG 56 HH11 ARG 56 13.974 -9.427 -3.879 458 HH12 ARG 56 HH12 ARG 56 14.959 -9.988 -5.187 459 HH21 ARG 56 HH21 ARG 56 15.324 -6.855 -6.702 460 HH22 ARG 56 HH22 ARG 56 15.734 -8.533 -6.772 461 H GLN 57 H GLN 57 8.255 -7.571 -3.890 462 HA GLN 57 HA GLN 57 8.410 -8.796 -6.563 463 HB2 GLN 57 HB2 GLN 57 7.556 -10.007 -3.935 464 HB3 GLN 57 HB3 GLN 57 7.749 -10.866 -5.457 465 HG2 GLN 57 HG2 GLN 57 9.974 -9.431 -4.045 466 HG3 GLN 57 HG3 GLN 57 9.611 -11.142 -3.838 467 HE21 GLN 57 HE21 GLN 57 10.773 -8.693 -6.019 468 HE22 GLN 57 HE22 GLN 57 11.503 -9.770 -7.151 469 H ILE 58 H ILE 58 6.440 -6.704 -5.169 470 HA ILE 58 HA ILE 58 4.059 -7.916 -6.360 471 HB ILE 58 HB ILE 58 2.674 -6.998 -4.476 472 HG12 ILE 58 HG12 ILE 58 5.291 -6.900 -2.996 473 HG13 ILE 58 HG13 ILE 58 4.507 -5.474 -3.667 474 HG21 ILE 58 HG21 ILE 58 3.239 -9.378 -4.664 475 HG22 ILE 58 HG22 ILE 58 3.083 -8.863 -2.984 476 HG23 ILE 58 HG23 ILE 58 4.682 -9.102 -3.691 477 HD11 ILE 58 HD11 ILE 58 3.326 -7.311 -1.598 478 HD12 ILE 58 HD12 ILE 58 2.578 -5.848 -2.237 479 HD13 ILE 58 HD13 ILE 58 4.055 -5.737 -1.279 480 H ARG 59 H ARG 59 2.277 -6.282 -6.479 481 HA ARG 59 HA ARG 59 3.214 -3.546 -6.820 482 HB2 ARG 59 HB2 ARG 59 2.135 -5.254 -9.028 483 HB3 ARG 59 HB3 ARG 59 1.874 -3.516 -9.049 484 HG2 ARG 59 HG2 ARG 59 4.540 -4.920 -8.994 485 HG3 ARG 59 HG3 ARG 59 3.814 -4.087 -10.373 486 HD2 ARG 59 HD2 ARG 59 4.746 -2.862 -7.775 487 HD3 ARG 59 HD3 ARG 59 5.424 -2.615 -9.376 488 HE ARG 59 HE ARG 59 3.027 -1.719 -9.838 489 HH11 ARG 59 HH11 ARG 59 4.983 -1.190 -6.975 490 HH12 ARG 59 HH12 ARG 59 4.239 0.317 -6.584 491 HH21 ARG 59 HH21 ARG 59 2.032 0.255 -9.328 492 HH22 ARG 59 HH22 ARG 59 2.523 1.144 -7.922 493 H PHE 60 H PHE 60 1.619 -1.954 -6.805 494 HA PHE 60 HA PHE 60 -0.936 -2.867 -5.651 495 HB2 PHE 60 HB2 PHE 60 0.703 -0.399 -5.023 496 HB3 PHE 60 HB3 PHE 60 -0.936 -0.653 -4.451 497 HD1 PHE 60 HD1 PHE 60 2.350 -2.447 -4.478 498 HD2 PHE 60 HD2 PHE 60 -1.194 -1.478 -2.336 499 HE1 PHE 60 HE1 PHE 60 3.227 -3.623 -2.497 500 HE2 PHE 60 HE2 PHE 60 -0.319 -2.657 -0.352 501 HZ PHE 60 HZ PHE 60 1.890 -3.728 -0.442 502 H ARG 61 H ARG 61 -2.744 -2.237 -6.649 503 HA ARG 61 HA ARG 61 -2.648 0.161 -8.350 504 HB2 ARG 61 HB2 ARG 61 -3.784 -0.875 -10.138 505 HB3 ARG 61 HB3 ARG 61 -2.577 -2.056 -9.652 506 HG2 ARG 61 HG2 ARG 61 -4.270 -3.505 -9.661 507 HG3 ARG 61 HG3 ARG 61 -4.682 -2.734 -8.127 508 HD2 ARG 61 HD2 ARG 61 -6.098 -1.115 -9.371 509 HD3 ARG 61 HD3 ARG 61 -5.788 -2.040 -10.837 510 HE ARG 61 HE ARG 61 -7.254 -3.039 -8.473 511 HH11 ARG 61 HH11 ARG 61 -6.663 -3.082 -11.947 512 HH12 ARG 61 HH12 ARG 61 -7.890 -4.252 -12.255 513 HH21 ARG 61 HH21 ARG 61 -8.879 -4.562 -8.902 514 HH22 ARG 61 HH22 ARG 61 -9.164 -5.099 -10.525 515 H PHE 62 H PHE 62 -4.473 1.421 -8.340 516 HA PHE 62 HA PHE 62 -6.715 0.579 -6.665 517 HB2 PHE 62 HB2 PHE 62 -5.309 1.906 -5.210 518 HB3 PHE 62 HB3 PHE 62 -5.170 3.164 -6.429 519 HD1 PHE 62 HD1 PHE 62 -7.575 1.468 -4.196 520 HD2 PHE 62 HD2 PHE 62 -6.730 4.895 -6.564 521 HE1 PHE 62 HE1 PHE 62 -9.549 2.595 -3.261 522 HE2 PHE 62 HE2 PHE 62 -8.702 6.033 -5.632 523 HZ PHE 62 HZ PHE 62 -10.115 4.880 -3.978 524 H ASP 63 H ASP 63 -8.637 1.133 -7.496 525 HA ASP 63 HA ASP 63 -10.235 1.982 -8.895 526 HB2 ASP 63 HB2 ASP 63 -9.033 4.112 -7.835 527 HB3 ASP 63 HB3 ASP 63 -8.621 4.382 -9.510 528 H GLY 64 H GLY 64 -8.140 0.356 -10.109 529 HA2 GLY 64 HA2 GLY 64 -7.945 -0.314 -12.325 530 HA3 GLY 64 HA3 GLY 64 -8.620 1.244 -12.796 531 H GLN 65 H GLN 65 -6.430 2.379 -10.832 532 HA GLN 65 HA GLN 65 -4.333 2.292 -12.902 533 HB2 GLN 65 HB2 GLN 65 -3.784 4.659 -12.039 534 HB3 GLN 65 HB3 GLN 65 -5.153 4.441 -13.121 535 HG2 GLN 65 HG2 GLN 65 -6.631 4.403 -11.150 536 HG3 GLN 65 HG3 GLN 65 -5.236 4.777 -10.144 537 HE21 GLN 65 HE21 GLN 65 -7.703 6.128 -10.863 538 HE22 GLN 65 HE22 GLN 65 -7.265 7.743 -11.318 539 HA PRO 66 HA PRO 66 -1.527 1.006 -9.833 540 HB2 PRO 66 HB2 PRO 66 0.775 1.566 -11.048 541 HB3 PRO 66 HB3 PRO 66 -0.344 0.380 -11.721 542 HG2 PRO 66 HG2 PRO 66 0.015 3.260 -12.501 543 HG3 PRO 66 HG3 PRO 66 -0.096 1.833 -13.550 544 HD2 PRO 66 HD2 PRO 66 -2.242 3.485 -13.006 545 HD3 PRO 66 HD3 PRO 66 -2.387 1.749 -13.383 546 H ILE 67 H ILE 67 -0.272 1.746 -8.119 547 HA ILE 67 HA ILE 67 0.392 4.615 -8.086 548 HB ILE 67 HB ILE 67 -0.127 4.711 -5.651 549 HG12 ILE 67 HG12 ILE 67 -0.195 2.105 -5.489 550 HG13 ILE 67 HG13 ILE 67 -1.280 3.050 -4.480 551 HG21 ILE 67 HG21 ILE 67 -1.623 5.739 -7.205 552 HG22 ILE 67 HG22 ILE 67 -2.557 4.988 -5.910 553 HG23 ILE 67 HG23 ILE 67 -2.450 4.207 -7.490 554 HD11 ILE 67 HD11 ILE 67 -2.393 1.126 -5.437 555 HD12 ILE 67 HD12 ILE 67 -1.988 1.684 -7.062 556 HD13 ILE 67 HD13 ILE 67 -3.093 2.621 -6.056 557 H ASN 68 H ASN 68 2.325 5.130 -7.290 558 HA ASN 68 HA ASN 68 4.006 2.937 -6.356 559 HB2 ASN 68 HB2 ASN 68 5.808 4.827 -6.529 560 HB3 ASN 68 HB3 ASN 68 5.250 4.031 -7.987 561 HD21 ASN 68 HD21 ASN 68 3.553 6.460 -6.080 562 HD22 ASN 68 HD22 ASN 68 3.558 7.686 -7.296 563 H GLU 69 H GLU 69 5.440 3.236 -4.577 564 HA GLU 69 HA GLU 69 4.203 4.006 -2.215 565 HB2 GLU 69 HB2 GLU 69 6.583 3.908 -1.295 566 HB3 GLU 69 HB3 GLU 69 5.935 2.449 -2.039 567 HG2 GLU 69 HG2 GLU 69 7.171 2.832 -4.015 568 HG3 GLU 69 HG3 GLU 69 7.681 4.426 -3.480 569 H THR 70 H THR 70 5.913 5.940 -4.488 570 HA THR 70 HA THR 70 6.608 8.037 -2.677 571 HB THR 70 HB THR 70 7.225 9.268 -4.750 572 HG1 THR 70 HG1 THR 70 6.789 8.398 -6.708 573 HG21 THR 70 HG21 THR 70 8.817 7.732 -3.685 574 HG22 THR 70 HG22 THR 70 9.003 7.718 -5.442 575 HG23 THR 70 HG23 THR 70 8.153 6.402 -4.632 576 H ASP 71 H ASP 71 3.683 7.058 -3.869 577 HA ASP 71 HA ASP 71 2.651 9.789 -4.135 578 HB2 ASP 71 HB2 ASP 71 1.825 7.189 -5.209 579 HB3 ASP 71 HB3 ASP 71 0.483 8.168 -4.646 580 H THR 72 H THR 72 0.566 10.294 -3.084 581 HA THR 72 HA THR 72 0.383 9.016 -0.438 582 HB THR 72 HB THR 72 -0.638 11.243 0.257 583 HG1 THR 72 HG1 THR 72 0.451 12.884 -1.396 584 HG21 THR 72 HG21 THR 72 1.553 12.387 0.450 585 HG22 THR 72 HG22 THR 72 2.243 11.201 -0.658 586 HG23 THR 72 HG23 THR 72 1.625 10.690 0.917 587 HA PRO 73 HA PRO 73 -3.852 8.006 -1.355 588 HB2 PRO 73 HB2 PRO 73 -5.088 8.465 1.040 589 HB3 PRO 73 HB3 PRO 73 -4.066 7.057 0.733 590 HG2 PRO 73 HG2 PRO 73 -3.385 9.627 2.100 591 HG3 PRO 73 HG3 PRO 73 -2.977 7.970 2.577 592 HD2 PRO 73 HD2 PRO 73 -1.198 9.572 1.364 593 HD3 PRO 73 HD3 PRO 73 -1.245 7.827 1.046 594 H ALA 74 H ALA 74 -2.907 11.124 -0.396 595 HA ALA 74 HA ALA 74 -5.536 12.307 -0.866 596 HB1 ALA 74 HB1 ALA 74 -4.528 14.393 -0.133 597 HB2 ALA 74 HB2 ALA 74 -2.941 13.626 -0.084 598 HB3 ALA 74 HB3 ALA 74 -4.202 13.111 1.033 599 H GLN 75 H GLN 75 -2.595 11.635 -2.472 600 HA GLN 75 HA GLN 75 -2.507 13.747 -4.325 601 HB2 GLN 75 HB2 GLN 75 -0.755 11.910 -3.777 602 HB3 GLN 75 HB3 GLN 75 -1.612 10.957 -4.979 603 HG2 GLN 75 HG2 GLN 75 0.245 11.998 -6.030 604 HG3 GLN 75 HG3 GLN 75 -1.225 12.784 -6.612 605 HE21 GLN 75 HE21 GLN 75 1.628 13.111 -4.685 606 HE22 GLN 75 HE22 GLN 75 1.532 14.821 -4.455 607 H LEU 76 H LEU 76 -4.215 10.696 -4.274 608 HA LEU 76 HA LEU 76 -5.521 11.436 -6.789 609 HB2 LEU 76 HB2 LEU 76 -6.212 8.924 -6.790 610 HB3 LEU 76 HB3 LEU 76 -4.613 9.385 -7.318 611 HG LEU 76 HG LEU 76 -4.759 7.293 -5.905 612 HD11 LEU 76 HD11 LEU 76 -2.753 7.735 -4.637 613 HD12 LEU 76 HD12 LEU 76 -3.003 9.471 -4.796 614 HD13 LEU 76 HD13 LEU 76 -2.654 8.497 -6.226 615 HD21 LEU 76 HD21 LEU 76 -6.376 7.916 -4.266 616 HD22 LEU 76 HD22 LEU 76 -5.406 9.297 -3.760 617 HD23 LEU 76 HD23 LEU 76 -4.839 7.662 -3.436 618 H GLU 77 H GLU 77 -5.970 11.663 -3.639 619 HA GLU 77 HA GLU 77 -7.690 11.840 -2.195 620 HB2 GLU 77 HB2 GLU 77 -9.172 12.583 -4.715 621 HB3 GLU 77 HB3 GLU 77 -9.736 12.894 -3.079 622 HG2 GLU 77 HG2 GLU 77 -7.717 14.276 -2.701 623 HG3 GLU 77 HG3 GLU 77 -7.284 14.036 -4.393 624 H MET 78 H MET 78 -7.412 9.352 -2.230 625 HA MET 78 HA MET 78 -9.687 7.906 -3.230 626 HB2 MET 78 HB2 MET 78 -8.748 6.003 -1.872 627 HB3 MET 78 HB3 MET 78 -7.666 6.659 -3.092 628 HG2 MET 78 HG2 MET 78 -6.445 7.877 -1.407 629 HG3 MET 78 HG3 MET 78 -7.590 7.342 -0.173 630 HE1 MET 78 HE1 MET 78 -5.120 4.166 -2.428 631 HE2 MET 78 HE2 MET 78 -5.149 5.841 -2.967 632 HE3 MET 78 HE3 MET 78 -6.627 4.879 -2.999 633 H GLU 79 H GLU 79 -10.990 6.526 -1.691 634 HA GLU 79 HA GLU 79 -12.143 8.339 0.261 635 HB2 GLU 79 HB2 GLU 79 -13.076 5.672 -0.779 636 HB3 GLU 79 HB3 GLU 79 -13.961 6.664 0.370 637 HG2 GLU 79 HG2 GLU 79 -13.215 7.482 -2.414 638 HG3 GLU 79 HG3 GLU 79 -14.791 6.869 -1.914 639 H ASP 80 H ASP 80 -12.817 7.543 2.361 640 HA ASP 80 HA ASP 80 -10.729 6.139 3.674 641 HB2 ASP 80 HB2 ASP 80 -12.134 6.391 5.686 642 HB3 ASP 80 HB3 ASP 80 -11.904 7.924 4.843 643 H GLU 81 H GLU 81 -10.651 4.119 4.333 644 HA GLU 81 HA GLU 81 -11.090 1.958 4.666 645 HB2 GLU 81 HB2 GLU 81 -14.000 2.662 4.261 646 HB3 GLU 81 HB3 GLU 81 -13.390 1.139 4.893 647 HG2 GLU 81 HG2 GLU 81 -12.345 2.435 6.764 648 HG3 GLU 81 HG3 GLU 81 -13.183 3.852 6.155 649 H ASP 82 H ASP 82 -10.907 3.360 1.926 650 HA ASP 82 HA ASP 82 -12.165 1.578 0.107 651 HB2 ASP 82 HB2 ASP 82 -10.884 3.998 -0.144 652 HB3 ASP 82 HB3 ASP 82 -9.718 2.880 -0.840 653 H THR 83 H THR 83 -10.559 0.472 -1.602 654 HA THR 83 HA THR 83 -8.575 -1.047 -0.057 655 HB THR 83 HB THR 83 -10.339 -2.483 -2.020 656 HG1 THR 83 HG1 THR 83 -11.770 -1.540 -0.529 657 HG21 THR 83 HG21 THR 83 -8.316 -3.592 -1.159 658 HG22 THR 83 HG22 THR 83 -9.783 -4.402 -0.603 659 HG23 THR 83 HG23 THR 83 -8.892 -3.342 0.491 660 H ILE 84 H ILE 84 -6.916 -2.029 -1.276 661 HA ILE 84 HA ILE 84 -6.563 -0.997 -4.011 662 HB ILE 84 HB ILE 84 -4.523 -1.194 -1.772 663 HG12 ILE 84 HG12 ILE 84 -4.022 1.182 -2.579 664 HG13 ILE 84 HG13 ILE 84 -5.514 1.055 -3.502 665 HG21 ILE 84 HG21 ILE 84 -3.954 -0.819 -4.702 666 HG22 ILE 84 HG22 ILE 84 -3.475 -2.187 -3.697 667 HG23 ILE 84 HG23 ILE 84 -2.784 -0.591 -3.404 668 HD11 ILE 84 HD11 ILE 84 -5.878 2.210 -1.423 669 HD12 ILE 84 HD12 ILE 84 -5.256 0.817 -0.529 670 HD13 ILE 84 HD13 ILE 84 -6.748 0.674 -1.463 671 H ASP 85 H ASP 85 -5.808 -2.448 -5.478 672 HA ASP 85 HA ASP 85 -5.920 -5.238 -4.667 673 HB2 ASP 85 HB2 ASP 85 -5.702 -3.915 -7.350 674 HB3 ASP 85 HB3 ASP 85 -5.764 -5.656 -7.129 675 H VAL 86 H VAL 86 -4.210 -6.553 -4.541 676 HA VAL 86 HA VAL 86 -1.637 -5.520 -5.471 677 HB VAL 86 HB VAL 86 -2.369 -6.863 -2.900 678 HG11 VAL 86 HG11 VAL 86 0.359 -7.110 -4.188 679 HG12 VAL 86 HG12 VAL 86 -0.756 -8.437 -3.860 680 HG13 VAL 86 HG13 VAL 86 -0.033 -7.543 -2.521 681 HG21 VAL 86 HG21 VAL 86 -1.992 -4.475 -3.005 682 HG22 VAL 86 HG22 VAL 86 -0.380 -4.750 -3.668 683 HG23 VAL 86 HG23 VAL 86 -0.760 -5.267 -2.025 684 H PHE 87 H PHE 87 -0.366 -6.806 -6.594 685 HA PHE 87 HA PHE 87 -1.107 -9.592 -6.934 686 HB2 PHE 87 HB2 PHE 87 -0.619 -9.240 -9.469 687 HB3 PHE 87 HB3 PHE 87 -2.200 -8.798 -8.831 688 HD1 PHE 87 HD1 PHE 87 -2.698 -6.385 -8.379 689 HD2 PHE 87 HD2 PHE 87 0.769 -7.633 -10.514 690 HE1 PHE 87 HE1 PHE 87 -2.457 -4.122 -9.285 691 HE2 PHE 87 HE2 PHE 87 1.014 -5.356 -11.433 692 HZ PHE 87 HZ PHE 87 -0.600 -3.601 -10.822 693 H GLN 88 H GLN 88 0.623 -10.912 -7.564 694 HA GLN 88 HA GLN 88 3.232 -9.619 -7.106 695 HB2 GLN 88 HB2 GLN 88 2.932 -12.551 -6.668 696 HB3 GLN 88 HB3 GLN 88 3.937 -11.392 -5.816 697 HG2 GLN 88 HG2 GLN 88 1.713 -10.504 -4.841 698 HG3 GLN 88 HG3 GLN 88 1.035 -12.016 -5.417 699 HE21 GLN 88 HE21 GLN 88 4.260 -11.525 -4.078 700 HE22 GLN 88 HE22 GLN 88 4.021 -12.542 -2.699 701 H GLN 89 H GLN 89 4.154 -9.387 -9.017 702 HA GLN 89 HA GLN 89 3.809 -11.511 -10.985 703 HB2 GLN 89 HB2 GLN 89 4.451 -9.706 -12.627 704 HB3 GLN 89 HB3 GLN 89 2.883 -9.557 -11.844 705 HG2 GLN 89 HG2 GLN 89 3.697 -7.904 -10.357 706 HG3 GLN 89 HG3 GLN 89 5.356 -8.164 -10.891 707 HE21 GLN 89 HE21 GLN 89 5.673 -6.168 -11.481 708 HE22 GLN 89 HE22 GLN 89 4.939 -5.390 -12.847 709 H GLN 90 H GLN 90 5.436 -12.873 -10.807 710 HA GLN 90 HA GLN 90 8.143 -11.804 -10.824 711 HB2 GLN 90 HB2 GLN 90 7.041 -14.580 -10.394 712 HB3 GLN 90 HB3 GLN 90 8.753 -14.287 -10.651 713 HG2 GLN 90 HG2 GLN 90 8.430 -14.446 -8.317 714 HG3 GLN 90 HG3 GLN 90 8.688 -12.744 -8.684 715 HE21 GLN 90 HE21 GLN 90 7.701 -12.075 -6.820 716 HE22 GLN 90 HE22 GLN 90 5.991 -12.150 -6.591 717 H THR 91 H THR 91 8.428 -11.067 -12.853 718 HA THR 91 HA THR 91 8.249 -13.061 -14.998 719 HB THR 91 HB THR 91 7.708 -10.099 -15.324 720 HG1 THR 91 HG1 THR 91 6.127 -12.166 -14.482 721 HG21 THR 91 HG21 THR 91 6.846 -10.779 -17.526 722 HG22 THR 91 HG22 THR 91 7.277 -12.453 -17.179 723 HG23 THR 91 HG23 THR 91 8.540 -11.234 -17.344 724 H GLY 92 H GLY 92 10.179 -13.496 -15.782 725 HA2 GLY 92 HA2 GLY 92 12.290 -13.095 -16.688 726 HA3 GLY 92 HA3 GLY 92 12.126 -11.401 -16.249 727 H GLY 93 H GLY 93 11.326 -12.745 -13.472 728 HA2 GLY 93 HA2 GLY 93 13.580 -13.942 -12.392 729 HA3 GLY 93 HA3 GLY 93 13.770 -12.200 -12.200 Start of MODEL 2 1 H MET 1 H MET 1 17.725 5.675 15.988 2 HA MET 1 HA MET 1 15.799 4.533 17.912 3 HB2 MET 1 HB2 MET 1 18.618 5.558 18.330 4 HB3 MET 1 HB3 MET 1 17.529 5.040 19.603 5 HG2 MET 1 HG2 MET 1 19.056 3.280 19.238 6 HG3 MET 1 HG3 MET 1 17.520 2.770 18.544 7 HE1 MET 1 HE1 MET 1 18.867 0.837 17.295 8 HE2 MET 1 HE2 MET 1 20.404 1.426 17.929 9 HE3 MET 1 HE3 MET 1 20.217 1.129 16.200 10 H ALA 2 H ALA 2 16.434 7.149 16.050 11 HA ALA 2 HA ALA 2 14.903 8.908 17.688 12 HB1 ALA 2 HB1 ALA 2 17.118 9.234 18.705 13 HB2 ALA 2 HB2 ALA 2 16.564 10.687 17.871 14 HB3 ALA 2 HB3 ALA 2 17.778 9.649 17.123 15 H ASP 3 H ASP 3 13.528 9.028 15.924 16 HA ASP 3 HA ASP 3 14.458 9.563 13.298 17 HB2 ASP 3 HB2 ASP 3 11.691 9.868 14.460 18 HB3 ASP 3 HB3 ASP 3 12.067 9.994 12.749 19 H GLU 4 H GLU 4 13.893 11.470 15.970 20 HA GLU 4 HA GLU 4 14.321 13.875 14.356 21 HB2 GLU 4 HB2 GLU 4 11.990 13.819 15.190 22 HB3 GLU 4 HB3 GLU 4 12.601 13.707 16.834 23 HG2 GLU 4 HG2 GLU 4 13.735 15.886 16.500 24 HG3 GLU 4 HG3 GLU 4 12.947 16.005 14.927 25 H LYS 5 H LYS 5 14.088 13.368 17.807 26 HA LYS 5 HA LYS 5 16.932 13.710 18.144 27 HB2 LYS 5 HB2 LYS 5 14.864 15.558 19.318 28 HB3 LYS 5 HB3 LYS 5 16.493 15.429 19.963 29 HG2 LYS 5 HG2 LYS 5 15.768 16.273 17.165 30 HG3 LYS 5 HG3 LYS 5 16.209 17.360 18.483 31 HD2 LYS 5 HD2 LYS 5 18.417 16.334 18.604 32 HD3 LYS 5 HD3 LYS 5 17.976 15.203 17.326 33 HE2 LYS 5 HE2 LYS 5 19.303 17.031 16.430 34 HE3 LYS 5 HE3 LYS 5 17.668 17.073 15.776 35 HZ1 LYS 5 HZ1 LYS 5 17.114 18.819 17.328 36 HZ2 LYS 5 HZ2 LYS 5 18.473 19.270 16.429 37 HZ3 LYS 5 HZ3 LYS 5 18.655 18.743 18.023 38 HA PRO 6 HA PRO 6 15.069 11.819 22.146 39 HB2 PRO 6 HB2 PRO 6 12.401 11.465 22.375 40 HB3 PRO 6 HB3 PRO 6 13.185 12.977 22.847 41 HG2 PRO 6 HG2 PRO 6 11.717 12.312 20.326 42 HG3 PRO 6 HG3 PRO 6 11.610 13.769 21.330 43 HD2 PRO 6 HD2 PRO 6 13.060 13.670 19.060 44 HD3 PRO 6 HD3 PRO 6 13.521 14.679 20.439 45 H LYS 7 H LYS 7 13.376 9.722 22.539 46 HA LYS 7 HA LYS 7 14.330 7.878 20.532 47 HB2 LYS 7 HB2 LYS 7 12.676 7.438 23.016 48 HB3 LYS 7 HB3 LYS 7 13.250 6.157 21.961 49 HG2 LYS 7 HG2 LYS 7 15.564 6.806 22.446 50 HG3 LYS 7 HG3 LYS 7 14.972 8.067 23.528 51 HD2 LYS 7 HD2 LYS 7 15.644 6.069 24.768 52 HD3 LYS 7 HD3 LYS 7 13.916 6.378 24.938 53 HE2 LYS 7 HE2 LYS 7 14.363 4.004 24.587 54 HE3 LYS 7 HE3 LYS 7 13.439 4.680 23.249 55 HZ1 LYS 7 HZ1 LYS 7 15.474 4.801 21.948 56 HZ2 LYS 7 HZ2 LYS 7 15.221 3.221 22.484 57 HZ3 LYS 7 HZ3 LYS 7 16.373 4.196 23.240 58 H GLU 8 H GLU 8 11.410 9.519 21.311 59 HA GLU 8 HA GLU 8 9.841 7.865 19.518 60 HB2 GLU 8 HB2 GLU 8 9.136 10.250 21.238 61 HB3 GLU 8 HB3 GLU 8 8.006 9.528 20.108 62 HG2 GLU 8 HG2 GLU 8 7.528 8.700 22.296 63 HG3 GLU 8 HG3 GLU 8 8.211 7.385 21.344 64 H GLY 9 H GLY 9 9.246 8.467 17.470 65 HA2 GLY 9 HA2 GLY 9 10.393 10.999 16.508 66 HA3 GLY 9 HA3 GLY 9 10.166 9.552 15.523 67 H VAL 10 H VAL 10 7.722 9.952 17.635 68 HA VAL 10 HA VAL 10 6.060 11.557 15.883 69 HB VAL 10 HB VAL 10 5.716 9.303 15.031 70 HG11 VAL 10 HG11 VAL 10 4.831 7.493 16.418 71 HG12 VAL 10 HG12 VAL 10 4.983 8.515 17.846 72 HG13 VAL 10 HG13 VAL 10 6.425 8.014 16.965 73 HG21 VAL 10 HG21 VAL 10 3.787 10.720 15.039 74 HG22 VAL 10 HG22 VAL 10 3.403 10.265 16.699 75 HG23 VAL 10 HG23 VAL 10 3.283 9.069 15.407 76 H LYS 11 H LYS 11 4.963 12.948 17.095 77 HA LYS 11 HA LYS 11 4.224 12.153 19.822 78 HB2 LYS 11 HB2 LYS 11 6.145 13.617 20.013 79 HB3 LYS 11 HB3 LYS 11 5.391 14.804 18.959 80 HG2 LYS 11 HG2 LYS 11 3.638 15.162 20.634 81 HG3 LYS 11 HG3 LYS 11 4.426 13.993 21.693 82 HD2 LYS 11 HD2 LYS 11 6.383 15.390 21.849 83 HD3 LYS 11 HD3 LYS 11 5.717 16.514 20.663 84 HE2 LYS 11 HE2 LYS 11 3.918 17.087 22.157 85 HE3 LYS 11 HE3 LYS 11 4.467 15.892 23.333 86 HZ1 LYS 11 HZ1 LYS 11 6.534 17.161 23.554 87 HZ2 LYS 11 HZ2 LYS 11 5.185 18.082 23.973 88 HZ3 LYS 11 HZ3 LYS 11 5.937 18.324 22.483 89 H THR 12 H THR 12 3.722 15.014 17.756 90 HA THR 12 HA THR 12 0.906 14.925 18.469 91 HB THR 12 HB THR 12 2.301 17.049 16.874 92 HG1 THR 12 HG1 THR 12 1.924 17.725 19.468 93 HG21 THR 12 HG21 THR 12 0.495 18.471 17.747 94 HG22 THR 12 HG22 THR 12 -0.153 17.093 18.637 95 HG23 THR 12 HG23 THR 12 -0.156 17.082 16.874 96 H GLU 13 H GLU 13 0.850 12.964 17.105 97 HA GLU 13 HA GLU 13 0.005 13.628 14.403 98 HB2 GLU 13 HB2 GLU 13 2.109 11.600 15.119 99 HB3 GLU 13 HB3 GLU 13 1.191 11.498 13.625 100 HG2 GLU 13 HG2 GLU 13 2.792 13.918 14.394 101 HG3 GLU 13 HG3 GLU 13 3.464 12.572 13.478 102 H ASN 14 H ASN 14 -0.978 11.436 13.411 103 HA ASN 14 HA ASN 14 -2.201 9.555 13.566 104 HB2 ASN 14 HB2 ASN 14 -1.761 9.762 16.549 105 HB3 ASN 14 HB3 ASN 14 -2.727 8.514 15.778 106 HD21 ASN 14 HD21 ASN 14 -0.954 8.255 13.478 107 HD22 ASN 14 HD22 ASN 14 0.467 7.452 14.043 108 H ASN 15 H ASN 15 -2.898 12.468 14.073 109 HA ASN 15 HA ASN 15 -5.496 12.282 15.309 110 HB2 ASN 15 HB2 ASN 15 -4.278 14.621 13.821 111 HB3 ASN 15 HB3 ASN 15 -5.716 14.671 14.834 112 HD21 ASN 15 HD21 ASN 15 -2.288 14.645 14.728 113 HD22 ASN 15 HD22 ASN 15 -2.022 14.896 16.420 114 H ASP 16 H ASP 16 -5.150 14.152 12.358 115 HA ASP 16 HA ASP 16 -7.457 12.817 11.286 116 HB2 ASP 16 HB2 ASP 16 -5.825 15.173 10.394 117 HB3 ASP 16 HB3 ASP 16 -7.039 14.445 9.346 118 H HIS 17 H HIS 17 -7.401 11.087 10.047 119 HA HIS 17 HA HIS 17 -5.685 10.813 7.876 120 HB2 HIS 17 HB2 HIS 17 -4.430 8.882 8.611 121 HB3 HIS 17 HB3 HIS 17 -4.075 10.223 9.691 122 HD1 HIS 17 HD1 HIS 17 -5.482 10.094 12.071 123 HD2 HIS 17 HD2 HIS 17 -5.182 6.648 9.805 124 HE1 HIS 17 HE1 HIS 17 -6.018 8.227 13.638 125 HE2 HIS 17 HE2 HIS 17 -6.251 6.247 12.132 126 H ILE 18 H ILE 18 -6.115 8.539 6.926 127 HA ILE 18 HA ILE 18 -8.830 7.727 7.709 128 HB ILE 18 HB ILE 18 -9.303 7.160 5.373 129 HG12 ILE 18 HG12 ILE 18 -6.776 8.713 4.732 130 HG13 ILE 18 HG13 ILE 18 -6.930 6.963 4.623 131 HG21 ILE 18 HG21 ILE 18 -10.137 9.237 6.275 132 HG22 ILE 18 HG22 ILE 18 -9.663 9.484 4.595 133 HG23 ILE 18 HG23 ILE 18 -8.619 10.051 5.900 134 HD11 ILE 18 HD11 ILE 18 -8.453 8.989 2.999 135 HD12 ILE 18 HD12 ILE 18 -8.644 7.237 2.896 136 HD13 ILE 18 HD13 ILE 18 -7.113 7.984 2.442 137 H ASN 19 H ASN 19 -9.403 5.540 6.761 138 HA ASN 19 HA ASN 19 -7.183 3.740 7.358 139 HB2 ASN 19 HB2 ASN 19 -10.140 3.135 7.162 140 HB3 ASN 19 HB3 ASN 19 -8.883 2.043 7.740 141 HD21 ASN 19 HD21 ASN 19 -10.876 4.758 8.467 142 HD22 ASN 19 HD22 ASN 19 -10.472 4.882 10.129 143 H LEU 20 H LEU 20 -6.576 2.207 5.936 144 HA LEU 20 HA LEU 20 -7.979 2.092 3.341 145 HB2 LEU 20 HB2 LEU 20 -5.156 2.761 3.875 146 HB3 LEU 20 HB3 LEU 20 -5.402 1.573 2.613 147 HG LEU 20 HG LEU 20 -5.246 3.679 1.539 148 HD11 LEU 20 HD11 LEU 20 -7.341 3.910 0.419 149 HD12 LEU 20 HD12 LEU 20 -8.192 3.114 1.736 150 HD13 LEU 20 HD13 LEU 20 -7.058 2.199 0.742 151 HD21 LEU 20 HD21 LEU 20 -6.644 5.601 2.122 152 HD22 LEU 20 HD22 LEU 20 -5.587 5.122 3.449 153 HD23 LEU 20 HD23 LEU 20 -7.299 4.701 3.490 154 H LYS 21 H LYS 21 -7.548 0.145 2.140 155 HA LYS 21 HA LYS 21 -6.707 -2.112 3.811 156 HB2 LYS 21 HB2 LYS 21 -9.138 -1.952 2.052 157 HB3 LYS 21 HB3 LYS 21 -8.549 -3.431 2.792 158 HG2 LYS 21 HG2 LYS 21 -8.997 -2.623 4.953 159 HG3 LYS 21 HG3 LYS 21 -9.367 -1.010 4.344 160 HD2 LYS 21 HD2 LYS 21 -11.438 -2.176 4.854 161 HD3 LYS 21 HD3 LYS 21 -11.294 -1.961 3.109 162 HE2 LYS 21 HE2 LYS 21 -10.528 -4.256 2.873 163 HE3 LYS 21 HE3 LYS 21 -10.598 -4.480 4.619 164 HZ1 LYS 21 HZ1 LYS 21 -12.894 -3.959 2.810 165 HZ2 LYS 21 HZ2 LYS 21 -13.008 -4.064 4.490 166 HZ3 LYS 21 HZ3 LYS 21 -12.539 -5.414 3.590 167 H VAL 22 H VAL 22 -5.777 -3.780 2.691 168 HA VAL 22 HA VAL 22 -5.335 -3.313 -0.183 169 HB VAL 22 HB VAL 22 -3.259 -4.269 1.805 170 HG11 VAL 22 HG11 VAL 22 -3.092 -4.102 -1.189 171 HG12 VAL 22 HG12 VAL 22 -3.166 -5.585 -0.239 172 HG13 VAL 22 HG13 VAL 22 -1.771 -4.514 -0.096 173 HG21 VAL 22 HG21 VAL 22 -2.016 -2.323 1.142 174 HG22 VAL 22 HG22 VAL 22 -3.640 -1.800 1.597 175 HG23 VAL 22 HG23 VAL 22 -3.201 -1.938 -0.102 176 H ALA 23 H ALA 23 -6.129 -4.860 -1.342 177 HA ALA 23 HA ALA 23 -6.719 -7.428 -0.117 178 HB1 ALA 23 HB1 ALA 23 -7.514 -6.314 -2.806 179 HB2 ALA 23 HB2 ALA 23 -8.509 -6.313 -1.350 180 HB3 ALA 23 HB3 ALA 23 -8.068 -7.839 -2.114 181 H GLY 24 H GLY 24 -5.383 -9.020 -0.337 182 HA2 GLY 24 HA2 GLY 24 -3.187 -8.846 -2.206 183 HA3 GLY 24 HA3 GLY 24 -3.431 -10.100 -0.992 184 H GLN 25 H GLN 25 -2.723 -10.510 -3.710 185 HA GLN 25 HA GLN 25 -4.931 -11.256 -5.307 186 HB2 GLN 25 HB2 GLN 25 -3.288 -12.571 -6.642 187 HB3 GLN 25 HB3 GLN 25 -2.797 -10.910 -6.355 188 HG2 GLN 25 HG2 GLN 25 -0.856 -12.120 -6.044 189 HG3 GLN 25 HG3 GLN 25 -1.435 -11.858 -4.399 190 HE21 GLN 25 HE21 GLN 25 -0.460 -13.611 -3.499 191 HE22 GLN 25 HE22 GLN 25 -0.881 -15.247 -3.879 192 H ASP 26 H ASP 26 -3.693 -12.680 -2.539 193 HA ASP 26 HA ASP 26 -4.422 -15.399 -3.127 194 HB2 ASP 26 HB2 ASP 26 -2.586 -14.754 -1.537 195 HB3 ASP 26 HB3 ASP 26 -3.824 -14.167 -0.429 196 H GLY 27 H GLY 27 -6.144 -12.615 -2.276 197 HA2 GLY 27 HA2 GLY 27 -8.513 -12.609 -2.186 198 HA3 GLY 27 HA3 GLY 27 -8.475 -14.264 -1.602 199 H SER 28 H SER 28 -6.244 -12.253 -0.045 200 HA SER 28 HA SER 28 -8.050 -12.037 2.261 201 HB2 SER 28 HB2 SER 28 -6.019 -13.491 2.536 202 HB3 SER 28 HB3 SER 28 -5.023 -12.059 2.277 203 HG SER 28 HG SER 28 -7.014 -12.011 4.257 204 H VAL 29 H VAL 29 -7.614 -10.119 3.643 205 HA VAL 29 HA VAL 29 -6.476 -7.891 2.166 206 HB VAL 29 HB VAL 29 -8.913 -7.990 1.618 207 HG11 VAL 29 HG11 VAL 29 -9.270 -7.353 4.543 208 HG12 VAL 29 HG12 VAL 29 -9.797 -8.819 3.712 209 HG13 VAL 29 HG13 VAL 29 -10.539 -7.264 3.323 210 HG21 VAL 29 HG21 VAL 29 -8.043 -5.552 3.163 211 HG22 VAL 29 HG22 VAL 29 -9.341 -5.611 1.966 212 HG23 VAL 29 HG23 VAL 29 -7.673 -5.894 1.473 213 H VAL 30 H VAL 30 -5.605 -6.311 3.439 214 HA VAL 30 HA VAL 30 -5.750 -6.751 6.339 215 HB VAL 30 HB VAL 30 -3.486 -6.983 5.357 216 HG11 VAL 30 HG11 VAL 30 -2.314 -5.042 4.458 217 HG12 VAL 30 HG12 VAL 30 -3.794 -4.091 4.585 218 HG13 VAL 30 HG13 VAL 30 -3.722 -5.464 3.481 219 HG21 VAL 30 HG21 VAL 30 -2.330 -5.334 6.839 220 HG22 VAL 30 HG22 VAL 30 -3.575 -6.292 7.639 221 HG23 VAL 30 HG23 VAL 30 -3.906 -4.621 7.178 222 H GLN 31 H GLN 31 -6.243 -5.025 7.703 223 HA GLN 31 HA GLN 31 -7.144 -2.576 6.361 224 HB2 GLN 31 HB2 GLN 31 -8.052 -3.538 9.043 225 HB3 GLN 31 HB3 GLN 31 -8.826 -2.367 7.985 226 HG2 GLN 31 HG2 GLN 31 -9.228 -4.183 6.345 227 HG3 GLN 31 HG3 GLN 31 -8.604 -5.328 7.527 228 HE21 GLN 31 HE21 GLN 31 -11.168 -3.188 6.702 229 HE22 GLN 31 HE22 GLN 31 -12.303 -3.829 7.826 230 H PHE 32 H PHE 32 -6.115 -0.800 6.860 231 HA PHE 32 HA PHE 32 -4.618 -0.553 9.355 232 HB2 PHE 32 HB2 PHE 32 -2.575 0.156 8.124 233 HB3 PHE 32 HB3 PHE 32 -2.963 -1.554 7.926 234 HD1 PHE 32 HD1 PHE 32 -4.208 -2.241 5.817 235 HD2 PHE 32 HD2 PHE 32 -2.302 1.531 6.266 236 HE1 PHE 32 HE1 PHE 32 -4.229 -1.958 3.390 237 HE2 PHE 32 HE2 PHE 32 -2.306 1.826 3.844 238 HZ PHE 32 HZ PHE 32 -3.269 0.081 2.389 239 H LYS 33 H LYS 33 -3.575 1.658 9.489 240 HA LYS 33 HA LYS 33 -5.446 3.624 8.354 241 HB2 LYS 33 HB2 LYS 33 -3.922 3.966 10.924 242 HB3 LYS 33 HB3 LYS 33 -5.365 4.818 10.383 243 HG2 LYS 33 HG2 LYS 33 -6.638 2.715 10.570 244 HG3 LYS 33 HG3 LYS 33 -5.192 1.940 11.193 245 HD2 LYS 33 HD2 LYS 33 -6.602 4.270 12.476 246 HD3 LYS 33 HD3 LYS 33 -6.716 2.589 12.997 247 HE2 LYS 33 HE2 LYS 33 -4.156 2.695 13.203 248 HE3 LYS 33 HE3 LYS 33 -4.365 4.444 13.104 249 HZ1 LYS 33 HZ1 LYS 33 -4.288 3.691 15.395 250 HZ2 LYS 33 HZ2 LYS 33 -5.607 2.674 15.130 251 HZ3 LYS 33 HZ3 LYS 33 -5.806 4.344 15.041 252 H ILE 34 H ILE 34 -4.615 5.402 7.347 253 HA ILE 34 HA ILE 34 -1.762 5.982 7.593 254 HB ILE 34 HB ILE 34 -1.893 4.443 5.684 255 HG12 ILE 34 HG12 ILE 34 -1.477 7.280 4.714 256 HG13 ILE 34 HG13 ILE 34 -0.291 6.353 5.622 257 HG21 ILE 34 HG21 ILE 34 -4.195 4.761 5.051 258 HG22 ILE 34 HG22 ILE 34 -3.153 5.061 3.657 259 HG23 ILE 34 HG23 ILE 34 -3.859 6.416 4.542 260 HD11 ILE 34 HD11 ILE 34 -0.140 4.744 3.815 261 HD12 ILE 34 HD12 ILE 34 0.182 6.374 3.225 262 HD13 ILE 34 HD13 ILE 34 -1.381 5.616 2.913 263 H LYS 35 H LYS 35 -1.225 8.155 7.021 264 HA LYS 35 HA LYS 35 -3.472 9.956 7.282 265 HB2 LYS 35 HB2 LYS 35 -0.584 10.687 6.945 266 HB3 LYS 35 HB3 LYS 35 -1.878 11.702 7.565 267 HG2 LYS 35 HG2 LYS 35 -2.041 9.782 9.366 268 HG3 LYS 35 HG3 LYS 35 -0.365 9.529 8.873 269 HD2 LYS 35 HD2 LYS 35 -1.505 12.158 9.830 270 HD3 LYS 35 HD3 LYS 35 -0.455 11.089 10.762 271 HE2 LYS 35 HE2 LYS 35 1.392 11.504 9.379 272 HE3 LYS 35 HE3 LYS 35 0.390 12.147 8.081 273 HZ1 LYS 35 HZ1 LYS 35 -0.060 14.087 9.411 274 HZ2 LYS 35 HZ2 LYS 35 1.610 13.874 9.271 275 HZ3 LYS 35 HZ3 LYS 35 0.830 13.470 10.711 276 H ARG 36 H ARG 36 -3.742 11.803 5.904 277 HA ARG 36 HA ARG 36 -3.955 11.087 3.209 278 HB2 ARG 36 HB2 ARG 36 -3.973 13.928 4.182 279 HB3 ARG 36 HB3 ARG 36 -4.899 13.216 2.874 280 HG2 ARG 36 HG2 ARG 36 -5.332 12.842 5.825 281 HG3 ARG 36 HG3 ARG 36 -6.375 13.681 4.683 282 HD2 ARG 36 HD2 ARG 36 -5.769 10.726 4.728 283 HD3 ARG 36 HD3 ARG 36 -7.275 11.489 5.227 284 HE ARG 36 HE ARG 36 -6.343 11.050 2.509 285 HH11 ARG 36 HH11 ARG 36 -8.707 12.596 4.601 286 HH12 ARG 36 HH12 ARG 36 -9.907 12.727 3.369 287 HH21 ARG 36 HH21 ARG 36 -7.959 11.230 0.855 288 HH22 ARG 36 HH22 ARG 36 -9.479 11.949 1.234 289 H HIS 37 H HIS 37 -1.617 13.079 4.956 290 HA HIS 37 HA HIS 37 -0.177 13.700 2.500 291 HB2 HIS 37 HB2 HIS 37 0.278 14.559 5.363 292 HB3 HIS 37 HB3 HIS 37 1.263 15.085 4.002 293 HD1 HIS 37 HD1 HIS 37 -0.826 16.744 5.991 294 HD2 HIS 37 HD2 HIS 37 -1.197 15.867 1.942 295 HE1 HIS 37 HE1 HIS 37 -2.423 18.445 5.072 296 HE2 HIS 37 HE2 HIS 37 -2.780 17.767 2.676 297 H THR 38 H THR 38 -0.324 11.041 4.172 298 HA THR 38 HA THR 38 2.518 10.613 4.555 299 HB THR 38 HB THR 38 0.071 9.066 5.436 300 HG1 THR 38 HG1 THR 38 2.297 10.078 6.881 301 HG21 THR 38 HG21 THR 38 1.573 7.372 6.371 302 HG22 THR 38 HG22 THR 38 2.961 8.190 5.651 303 HG23 THR 38 HG23 THR 38 1.747 7.446 4.615 304 HA PRO 39 HA PRO 39 2.827 8.733 0.563 305 HB2 PRO 39 HB2 PRO 39 5.206 7.482 0.942 306 HB3 PRO 39 HB3 PRO 39 5.060 9.216 0.629 307 HG2 PRO 39 HG2 PRO 39 5.441 7.768 3.216 308 HG3 PRO 39 HG3 PRO 39 6.203 9.265 2.651 309 HD2 PRO 39 HD2 PRO 39 4.154 9.260 4.396 310 HD3 PRO 39 HD3 PRO 39 4.372 10.550 3.201 311 H LEU 40 H LEU 40 2.503 6.798 -0.450 312 HA LEU 40 HA LEU 40 1.355 4.669 0.862 313 HB2 LEU 40 HB2 LEU 40 2.314 5.285 -1.854 314 HB3 LEU 40 HB3 LEU 40 2.082 3.590 -1.474 315 HG LEU 40 HG LEU 40 -0.205 3.943 -0.995 316 HD11 LEU 40 HD11 LEU 40 0.241 6.865 -1.447 317 HD12 LEU 40 HD12 LEU 40 -0.132 6.080 0.089 318 HD13 LEU 40 HD13 LEU 40 -1.326 6.091 -1.209 319 HD21 LEU 40 HD21 LEU 40 0.346 3.614 -3.315 320 HD22 LEU 40 HD22 LEU 40 0.558 5.352 -3.524 321 HD23 LEU 40 HD23 LEU 40 -1.039 4.695 -3.165 322 H SER 41 H SER 41 4.661 5.406 0.649 323 HA SER 41 HA SER 41 5.876 2.931 0.391 324 HB2 SER 41 HB2 SER 41 7.676 3.959 1.890 325 HB3 SER 41 HB3 SER 41 7.276 4.843 0.418 326 HG SER 41 HG SER 41 7.407 6.083 2.446 327 HH31 ALY 42 HH31 ALY 42 -0.250 1.290 10.942 328 HH32 ALY 42 HH32 ALY 42 0.253 0.608 9.380 329 HH33 ALY 42 HH33 ALY 42 -1.248 1.546 9.515 330 HZ ALY 42 HZ ALY 42 -0.105 2.752 7.679 331 HE3 ALY 42 HE3 ALY 42 1.749 4.749 8.148 332 HE2 ALY 42 HE2 ALY 42 2.656 3.252 7.938 333 HD3 ALY 42 HD3 ALY 42 1.538 2.919 5.757 334 HD2 ALY 42 HD2 ALY 42 0.696 4.452 5.980 335 HG3 ALY 42 HG3 ALY 42 2.619 4.761 4.525 336 HG2 ALY 42 HG2 ALY 42 2.881 5.610 6.043 337 HB3 ALY 42 HB3 ALY 42 4.904 4.596 5.790 338 HB2 ALY 42 HB2 ALY 42 4.066 3.369 6.714 339 HCA ALY 42 HCA ALY 42 5.261 2.252 4.976 340 H ALY 42 H ALY 42 4.566 4.452 3.317 341 H LEU 43 H LEU 43 2.460 3.147 3.087 342 HA LEU 43 HA LEU 43 0.608 1.277 4.066 343 HB2 LEU 43 HB2 LEU 43 -0.121 3.066 2.622 344 HB3 LEU 43 HB3 LEU 43 0.917 2.528 1.322 345 HG LEU 43 HG LEU 43 -1.301 0.745 2.289 346 HD11 LEU 43 HD11 LEU 43 -2.792 1.755 0.665 347 HD12 LEU 43 HD12 LEU 43 -1.584 2.989 0.304 348 HD13 LEU 43 HD13 LEU 43 -2.328 2.921 1.906 349 HD21 LEU 43 HD21 LEU 43 -1.284 0.007 -0.048 350 HD22 LEU 43 HD22 LEU 43 0.308 -0.167 0.692 351 HD23 LEU 43 HD23 LEU 43 -0.011 1.175 -0.409 352 H MET 44 H MET 44 2.798 1.067 1.298 353 HA MET 44 HA MET 44 2.216 -1.575 0.597 354 HB2 MET 44 HB2 MET 44 4.561 0.232 0.121 355 HB3 MET 44 HB3 MET 44 4.606 -1.446 -0.403 356 HG2 MET 44 HG2 MET 44 2.954 -1.160 -1.947 357 HG3 MET 44 HG3 MET 44 2.302 0.292 -1.207 358 HE1 MET 44 HE1 MET 44 3.423 1.660 -4.621 359 HE2 MET 44 HE2 MET 44 2.141 1.579 -3.413 360 HE3 MET 44 HE3 MET 44 2.640 0.120 -4.271 361 H LYS 45 H LYS 45 4.771 -0.230 2.652 362 HA LYS 45 HA LYS 45 5.987 -2.680 3.242 363 HB2 LYS 45 HB2 LYS 45 7.087 -0.532 3.654 364 HB3 LYS 45 HB3 LYS 45 5.899 -0.142 4.886 365 HG2 LYS 45 HG2 LYS 45 8.025 -0.864 5.847 366 HG3 LYS 45 HG3 LYS 45 6.709 -1.955 6.287 367 HD2 LYS 45 HD2 LYS 45 8.612 -3.289 5.735 368 HD3 LYS 45 HD3 LYS 45 7.458 -3.442 4.411 369 HE2 LYS 45 HE2 LYS 45 9.723 -3.171 3.551 370 HE3 LYS 45 HE3 LYS 45 8.727 -1.785 3.123 371 HZ1 LYS 45 HZ1 LYS 45 9.720 -0.538 4.919 372 HZ2 LYS 45 HZ2 LYS 45 10.920 -1.122 3.892 373 HZ3 LYS 45 HZ3 LYS 45 10.649 -1.872 5.384 374 H ALA 46 H ALA 46 3.366 -0.931 4.849 375 HA ALA 46 HA ALA 46 3.120 -2.497 7.148 376 HB1 ALA 46 HB1 ALA 46 0.815 -1.710 7.283 377 HB2 ALA 46 HB2 ALA 46 0.894 -1.165 5.608 378 HB3 ALA 46 HB3 ALA 46 1.903 -0.396 6.834 379 H TYR 47 H TYR 47 1.387 -2.865 4.037 380 HA TYR 47 HA TYR 47 0.075 -5.247 4.731 381 HB2 TYR 47 HB2 TYR 47 -0.785 -4.143 2.853 382 HB3 TYR 47 HB3 TYR 47 0.793 -3.978 2.091 383 HD1 TYR 47 HD1 TYR 47 -1.981 -6.295 2.811 384 HD2 TYR 47 HD2 TYR 47 1.689 -5.764 0.735 385 HE1 TYR 47 HE1 TYR 47 -2.438 -8.323 1.511 386 HE2 TYR 47 HE2 TYR 47 1.243 -7.791 -0.583 387 HH TYR 47 HH TYR 47 -0.080 -9.863 -0.383 388 H CYS 48 H CYS 48 3.191 -4.662 3.263 389 HA CYS 48 HA CYS 48 3.773 -7.361 2.602 390 HB2 CYS 48 HB2 CYS 48 5.662 -5.057 3.090 391 HB3 CYS 48 HB3 CYS 48 6.123 -6.603 2.377 392 HG CYS 48 HG CYS 48 4.039 -4.256 1.056 393 H GLU 49 H GLU 49 4.302 -5.463 5.479 394 HA GLU 49 HA GLU 49 5.916 -7.351 6.855 395 HB2 GLU 49 HB2 GLU 49 4.170 -5.091 7.807 396 HB3 GLU 49 HB3 GLU 49 5.211 -6.029 8.867 397 HG2 GLU 49 HG2 GLU 49 6.293 -4.657 6.452 398 HG3 GLU 49 HG3 GLU 49 6.054 -3.783 7.957 399 H ARG 50 H ARG 50 2.463 -6.836 6.565 400 HA ARG 50 HA ARG 50 1.725 -8.618 8.683 401 HB2 ARG 50 HB2 ARG 50 0.070 -7.657 6.352 402 HB3 ARG 50 HB3 ARG 50 -0.545 -8.403 7.818 403 HG2 ARG 50 HG2 ARG 50 0.872 -5.755 7.643 404 HG3 ARG 50 HG3 ARG 50 -0.865 -5.994 7.814 405 HD2 ARG 50 HD2 ARG 50 -0.057 -5.498 9.963 406 HD3 ARG 50 HD3 ARG 50 -0.363 -7.232 9.955 407 HE ARG 50 HE ARG 50 2.344 -6.600 9.297 408 HH11 ARG 50 HH11 ARG 50 0.115 -6.948 11.963 409 HH12 ARG 50 HH12 ARG 50 1.345 -7.339 13.115 410 HH21 ARG 50 HH21 ARG 50 4.010 -7.106 10.842 411 HH22 ARG 50 HH22 ARG 50 3.554 -7.427 12.474 412 H GLN 51 H GLN 51 1.819 -8.859 5.176 413 HA GLN 51 HA GLN 51 0.919 -11.594 5.219 414 HB2 GLN 51 HB2 GLN 51 1.349 -9.546 3.194 415 HB3 GLN 51 HB3 GLN 51 1.868 -11.140 2.670 416 HG2 GLN 51 HG2 GLN 51 -0.430 -10.709 2.019 417 HG3 GLN 51 HG3 GLN 51 -0.335 -12.042 3.163 418 HE21 GLN 51 HE21 GLN 51 -0.095 -8.655 4.056 419 HE22 GLN 51 HE22 GLN 51 -1.594 -8.595 4.916 420 H GLY 52 H GLY 52 3.975 -10.009 5.325 421 HA2 GLY 52 HA2 GLY 52 6.052 -10.956 5.672 422 HA3 GLY 52 HA3 GLY 52 5.299 -12.545 5.592 423 H LEU 53 H LEU 53 5.904 -9.810 3.405 424 HA LEU 53 HA LEU 53 7.148 -11.585 1.532 425 HB2 LEU 53 HB2 LEU 53 5.639 -10.840 -0.371 426 HB3 LEU 53 HB3 LEU 53 4.991 -12.028 0.737 427 HG LEU 53 HG LEU 53 3.782 -10.111 1.886 428 HD11 LEU 53 HD11 LEU 53 4.552 -8.675 -0.641 429 HD12 LEU 53 HD12 LEU 53 5.114 -8.291 0.983 430 HD13 LEU 53 HD13 LEU 53 3.406 -8.102 0.574 431 HD21 LEU 53 HD21 LEU 53 3.093 -10.740 -0.981 432 HD22 LEU 53 HD22 LEU 53 1.987 -10.083 0.227 433 HD23 LEU 53 HD23 LEU 53 2.654 -11.702 0.432 434 H SER 54 H SER 54 7.657 -10.227 -0.571 435 HA SER 54 HA SER 54 8.972 -7.824 0.434 436 HB2 SER 54 HB2 SER 54 9.368 -9.356 -2.131 437 HB3 SER 54 HB3 SER 54 10.385 -8.043 -1.549 438 HG SER 54 HG SER 54 10.510 -9.566 0.418 439 H MET 55 H MET 55 8.394 -5.817 -0.224 440 HA MET 55 HA MET 55 6.045 -5.400 -1.760 441 HB2 MET 55 HB2 MET 55 6.681 -2.980 -1.704 442 HB3 MET 55 HB3 MET 55 6.608 -3.746 -0.126 443 HG2 MET 55 HG2 MET 55 8.879 -3.633 0.186 444 HG3 MET 55 HG3 MET 55 9.227 -3.564 -1.543 445 HE1 MET 55 HE1 MET 55 7.437 -0.021 0.817 446 HE2 MET 55 HE2 MET 55 7.705 -1.622 1.508 447 HE3 MET 55 HE3 MET 55 6.486 -1.396 0.259 448 H ARG 56 H ARG 56 9.390 -5.620 -2.583 449 HA ARG 56 HA ARG 56 9.164 -4.365 -5.143 450 HB2 ARG 56 HB2 ARG 56 11.427 -5.201 -5.535 451 HB3 ARG 56 HB3 ARG 56 11.287 -4.432 -3.965 452 HG2 ARG 56 HG2 ARG 56 11.253 -6.543 -2.851 453 HG3 ARG 56 HG3 ARG 56 11.189 -7.401 -4.392 454 HD2 ARG 56 HD2 ARG 56 13.439 -5.606 -3.517 455 HD3 ARG 56 HD3 ARG 56 13.446 -7.364 -3.360 456 HE ARG 56 HE ARG 56 13.078 -6.161 -6.012 457 HH11 ARG 56 HH11 ARG 56 15.070 -8.023 -3.795 458 HH12 ARG 56 HH12 ARG 56 16.150 -8.568 -5.029 459 HH21 ARG 56 HH21 ARG 56 14.533 -6.871 -7.643 460 HH22 ARG 56 HH22 ARG 56 15.842 -7.920 -7.222 461 H GLN 57 H GLN 57 8.233 -7.379 -3.955 462 HA GLN 57 HA GLN 57 8.482 -8.699 -6.569 463 HB2 GLN 57 HB2 GLN 57 7.696 -9.858 -3.894 464 HB3 GLN 57 HB3 GLN 57 7.990 -10.763 -5.373 465 HG2 GLN 57 HG2 GLN 57 10.061 -9.075 -4.011 466 HG3 GLN 57 HG3 GLN 57 9.839 -10.798 -3.707 467 HE21 GLN 57 HE21 GLN 57 10.832 -8.387 -6.010 468 HE22 GLN 57 HE22 GLN 57 11.660 -9.457 -7.072 469 H ILE 58 H ILE 58 6.380 -6.736 -5.123 470 HA ILE 58 HA ILE 58 4.086 -8.021 -6.377 471 HB ILE 58 HB ILE 58 2.634 -7.266 -4.495 472 HG12 ILE 58 HG12 ILE 58 5.185 -6.916 -2.941 473 HG13 ILE 58 HG13 ILE 58 4.323 -5.571 -3.674 474 HG21 ILE 58 HG21 ILE 58 3.219 -9.047 -2.940 475 HG22 ILE 58 HG22 ILE 58 4.827 -9.155 -3.653 476 HG23 ILE 58 HG23 ILE 58 3.409 -9.585 -4.609 477 HD11 ILE 58 HD11 ILE 58 2.370 -6.063 -2.319 478 HD12 ILE 58 HD12 ILE 58 3.794 -5.814 -1.307 479 HD13 ILE 58 HD13 ILE 58 3.202 -7.446 -1.615 480 H ARG 59 H ARG 59 2.233 -6.278 -6.300 481 HA ARG 59 HA ARG 59 3.240 -3.579 -6.593 482 HB2 ARG 59 HB2 ARG 59 2.172 -5.158 -8.904 483 HB3 ARG 59 HB3 ARG 59 1.974 -3.414 -8.849 484 HG2 ARG 59 HG2 ARG 59 4.595 -4.894 -8.768 485 HG3 ARG 59 HG3 ARG 59 3.920 -4.051 -10.163 486 HD2 ARG 59 HD2 ARG 59 4.632 -2.752 -7.529 487 HD3 ARG 59 HD3 ARG 59 5.628 -2.721 -8.969 488 HE ARG 59 HE ARG 59 3.687 -1.562 -10.049 489 HH11 ARG 59 HH11 ARG 59 4.293 -1.324 -6.585 490 HH12 ARG 59 HH12 ARG 59 3.564 0.238 -6.442 491 HH21 ARG 59 HH21 ARG 59 2.725 0.517 -9.842 492 HH22 ARG 59 HH22 ARG 59 2.648 1.272 -8.283 493 H PHE 60 H PHE 60 1.613 -1.970 -6.746 494 HA PHE 60 HA PHE 60 -0.954 -2.886 -5.626 495 HB2 PHE 60 HB2 PHE 60 0.640 -0.393 -4.908 496 HB3 PHE 60 HB3 PHE 60 -1.004 -0.705 -4.388 497 HD1 PHE 60 HD1 PHE 60 2.235 -2.575 -4.432 498 HD2 PHE 60 HD2 PHE 60 -1.203 -1.395 -2.235 499 HE1 PHE 60 HE1 PHE 60 3.106 -3.748 -2.453 500 HE2 PHE 60 HE2 PHE 60 -0.337 -2.567 -0.251 501 HZ PHE 60 HZ PHE 60 1.821 -3.752 -0.363 502 H ARG 61 H ARG 61 -2.760 -2.206 -6.593 503 HA ARG 61 HA ARG 61 -2.614 0.127 -8.369 504 HB2 ARG 61 HB2 ARG 61 -3.871 -0.986 -10.135 505 HB3 ARG 61 HB3 ARG 61 -2.395 -1.863 -9.768 506 HG2 ARG 61 HG2 ARG 61 -3.721 -3.645 -9.825 507 HG3 ARG 61 HG3 ARG 61 -4.079 -3.149 -8.180 508 HD2 ARG 61 HD2 ARG 61 -6.112 -2.095 -8.860 509 HD3 ARG 61 HD3 ARG 61 -5.695 -2.259 -10.569 510 HE ARG 61 HE ARG 61 -5.735 -4.802 -9.349 511 HH11 ARG 61 HH11 ARG 61 -7.992 -2.293 -10.339 512 HH12 ARG 61 HH12 ARG 61 -9.284 -3.403 -10.631 513 HH21 ARG 61 HH21 ARG 61 -7.444 -6.247 -9.709 514 HH22 ARG 61 HH22 ARG 61 -8.978 -5.668 -10.261 515 H PHE 62 H PHE 62 -4.417 1.380 -8.510 516 HA PHE 62 HA PHE 62 -6.769 0.625 -6.949 517 HB2 PHE 62 HB2 PHE 62 -5.332 1.819 -5.379 518 HB3 PHE 62 HB3 PHE 62 -5.100 3.118 -6.537 519 HD1 PHE 62 HD1 PHE 62 -7.471 1.552 -4.219 520 HD2 PHE 62 HD2 PHE 62 -6.732 4.839 -6.813 521 HE1 PHE 62 HE1 PHE 62 -9.372 2.753 -3.234 522 HE2 PHE 62 HE2 PHE 62 -8.638 6.047 -5.834 523 HZ PHE 62 HZ PHE 62 -9.960 5.004 -4.039 524 H ASP 63 H ASP 63 -8.631 1.505 -7.765 525 HA ASP 63 HA ASP 63 -10.063 2.463 -9.291 526 HB2 ASP 63 HB2 ASP 63 -8.726 4.483 -8.263 527 HB3 ASP 63 HB3 ASP 63 -8.063 4.597 -9.870 528 H GLY 64 H GLY 64 -8.043 0.534 -10.320 529 HA2 GLY 64 HA2 GLY 64 -7.599 -0.282 -12.409 530 HA3 GLY 64 HA3 GLY 64 -8.373 1.156 -13.062 531 H GLN 65 H GLN 65 -6.177 2.408 -11.003 532 HA GLN 65 HA GLN 65 -4.091 2.426 -13.075 533 HB2 GLN 65 HB2 GLN 65 -3.554 4.756 -12.297 534 HB3 GLN 65 HB3 GLN 65 -5.096 4.584 -13.113 535 HG2 GLN 65 HG2 GLN 65 -6.174 4.486 -10.860 536 HG3 GLN 65 HG3 GLN 65 -4.615 4.910 -10.159 537 HE21 GLN 65 HE21 GLN 65 -7.277 5.974 -12.061 538 HE22 GLN 65 HE22 GLN 65 -6.922 7.665 -12.023 539 HA PRO 66 HA PRO 66 -1.370 0.935 -9.964 540 HB2 PRO 66 HB2 PRO 66 0.982 1.498 -11.148 541 HB3 PRO 66 HB3 PRO 66 -0.086 0.220 -11.743 542 HG2 PRO 66 HG2 PRO 66 0.263 3.018 -12.756 543 HG3 PRO 66 HG3 PRO 66 0.124 1.507 -13.673 544 HD2 PRO 66 HD2 PRO 66 -1.964 3.222 -13.310 545 HD3 PRO 66 HD3 PRO 66 -2.164 1.466 -13.497 546 H ILE 67 H ILE 67 -0.135 1.677 -8.247 547 HA ILE 67 HA ILE 67 0.572 4.525 -8.254 548 HB ILE 67 HB ILE 67 -0.077 4.716 -5.856 549 HG12 ILE 67 HG12 ILE 67 -0.189 2.117 -5.607 550 HG13 ILE 67 HG13 ILE 67 -1.316 3.109 -4.693 551 HG21 ILE 67 HG21 ILE 67 -2.477 5.029 -6.251 552 HG22 ILE 67 HG22 ILE 67 -2.330 4.145 -7.770 553 HG23 ILE 67 HG23 ILE 67 -1.485 5.679 -7.558 554 HD11 ILE 67 HD11 ILE 67 -1.901 1.666 -7.260 555 HD12 ILE 67 HD12 ILE 67 -3.047 2.645 -6.346 556 HD13 ILE 67 HD13 ILE 67 -2.398 1.162 -5.646 557 H ASN 68 H ASN 68 2.496 5.011 -7.347 558 HA ASN 68 HA ASN 68 4.007 2.738 -6.303 559 HB2 ASN 68 HB2 ASN 68 5.957 4.417 -6.421 560 HB3 ASN 68 HB3 ASN 68 5.359 3.732 -7.933 561 HD21 ASN 68 HD21 ASN 68 3.790 6.256 -6.076 562 HD22 ASN 68 HD22 ASN 68 4.067 7.513 -7.221 563 H GLU 69 H GLU 69 5.570 3.194 -4.545 564 HA GLU 69 HA GLU 69 4.183 3.944 -2.234 565 HB2 GLU 69 HB2 GLU 69 6.481 3.871 -1.170 566 HB3 GLU 69 HB3 GLU 69 5.916 2.400 -1.953 567 HG2 GLU 69 HG2 GLU 69 7.391 2.604 -3.685 568 HG3 GLU 69 HG3 GLU 69 7.606 4.341 -3.454 569 H THR 70 H THR 70 5.860 5.893 -4.490 570 HA THR 70 HA THR 70 6.415 8.002 -2.627 571 HB THR 70 HB THR 70 7.217 9.273 -4.534 572 HG1 THR 70 HG1 THR 70 5.800 8.830 -6.141 573 HG21 THR 70 HG21 THR 70 8.726 7.573 -3.679 574 HG22 THR 70 HG22 THR 70 8.890 7.694 -5.431 575 HG23 THR 70 HG23 THR 70 7.978 6.362 -4.720 576 H ASP 71 H ASP 71 3.582 6.888 -4.023 577 HA ASP 71 HA ASP 71 2.422 9.517 -4.459 578 HB2 ASP 71 HB2 ASP 71 1.468 6.685 -4.818 579 HB3 ASP 71 HB3 ASP 71 0.306 7.998 -4.821 580 H THR 72 H THR 72 0.544 10.220 -3.261 581 HA THR 72 HA THR 72 0.338 9.053 -0.569 582 HB THR 72 HB THR 72 -0.585 11.406 -0.020 583 HG1 THR 72 HG1 THR 72 0.213 13.046 -1.460 584 HG21 THR 72 HG21 THR 72 2.325 10.987 -0.720 585 HG22 THR 72 HG22 THR 72 1.548 10.674 0.838 586 HG23 THR 72 HG23 THR 72 1.715 12.328 0.252 587 HA PRO 73 HA PRO 73 -3.923 8.135 -1.422 588 HB2 PRO 73 HB2 PRO 73 -5.079 8.583 1.018 589 HB3 PRO 73 HB3 PRO 73 -4.115 7.150 0.643 590 HG2 PRO 73 HG2 PRO 73 -3.306 9.661 2.051 591 HG3 PRO 73 HG3 PRO 73 -2.938 7.980 2.471 592 HD2 PRO 73 HD2 PRO 73 -1.143 9.549 1.246 593 HD3 PRO 73 HD3 PRO 73 -1.266 7.818 0.872 594 H ALA 74 H ALA 74 -2.924 11.225 -0.382 595 HA ALA 74 HA ALA 74 -5.556 12.426 -0.786 596 HB1 ALA 74 HB1 ALA 74 -4.174 13.135 1.135 597 HB2 ALA 74 HB2 ALA 74 -4.592 14.464 0.055 598 HB3 ALA 74 HB3 ALA 74 -2.974 13.760 0.006 599 H GLN 75 H GLN 75 -2.746 11.711 -2.530 600 HA GLN 75 HA GLN 75 -2.746 13.958 -4.282 601 HB2 GLN 75 HB2 GLN 75 -0.777 12.492 -3.906 602 HB3 GLN 75 HB3 GLN 75 -1.622 11.197 -4.741 603 HG2 GLN 75 HG2 GLN 75 -1.706 12.616 -6.764 604 HG3 GLN 75 HG3 GLN 75 -0.740 13.822 -5.913 605 HE21 GLN 75 HE21 GLN 75 0.832 11.792 -4.524 606 HE22 GLN 75 HE22 GLN 75 1.914 11.130 -5.699 607 H LEU 76 H LEU 76 -4.256 10.801 -4.276 608 HA LEU 76 HA LEU 76 -5.602 11.523 -6.767 609 HB2 LEU 76 HB2 LEU 76 -6.251 8.994 -6.754 610 HB3 LEU 76 HB3 LEU 76 -4.676 9.492 -7.313 611 HG LEU 76 HG LEU 76 -4.735 7.403 -5.908 612 HD11 LEU 76 HD11 LEU 76 -3.028 9.650 -4.859 613 HD12 LEU 76 HD12 LEU 76 -2.663 8.622 -6.246 614 HD13 LEU 76 HD13 LEU 76 -2.734 7.928 -4.627 615 HD21 LEU 76 HD21 LEU 76 -5.412 9.372 -3.740 616 HD22 LEU 76 HD22 LEU 76 -4.796 7.751 -3.439 617 HD23 LEU 76 HD23 LEU 76 -6.350 7.968 -4.247 618 H GLU 77 H GLU 77 -6.040 11.730 -3.619 619 HA GLU 77 HA GLU 77 -7.776 11.968 -2.201 620 HB2 GLU 77 HB2 GLU 77 -9.260 12.579 -4.754 621 HB3 GLU 77 HB3 GLU 77 -9.798 12.993 -3.132 622 HG2 GLU 77 HG2 GLU 77 -7.864 14.445 -2.853 623 HG3 GLU 77 HG3 GLU 77 -7.304 14.012 -4.469 624 H MET 78 H MET 78 -7.456 9.453 -2.208 625 HA MET 78 HA MET 78 -9.775 8.013 -3.127 626 HB2 MET 78 HB2 MET 78 -8.788 6.089 -1.867 627 HB3 MET 78 HB3 MET 78 -7.732 6.776 -3.091 628 HG2 MET 78 HG2 MET 78 -6.450 7.923 -1.417 629 HG3 MET 78 HG3 MET 78 -7.582 7.405 -0.164 630 HE1 MET 78 HE1 MET 78 -5.191 5.923 -2.993 631 HE2 MET 78 HE2 MET 78 -6.683 4.985 -3.052 632 HE3 MET 78 HE3 MET 78 -5.189 4.229 -2.500 633 H GLU 79 H GLU 79 -10.985 6.619 -1.519 634 HA GLU 79 HA GLU 79 -12.011 8.431 0.513 635 HB2 GLU 79 HB2 GLU 79 -13.108 5.783 -0.423 636 HB3 GLU 79 HB3 GLU 79 -13.934 6.956 0.596 637 HG2 GLU 79 HG2 GLU 79 -13.145 7.293 -2.282 638 HG3 GLU 79 HG3 GLU 79 -14.775 7.084 -1.645 639 H ASP 80 H ASP 80 -12.748 7.407 2.603 640 HA ASP 80 HA ASP 80 -10.522 5.984 3.724 641 HB2 ASP 80 HB2 ASP 80 -11.641 6.209 5.865 642 HB3 ASP 80 HB3 ASP 80 -11.637 7.762 5.032 643 H GLU 81 H GLU 81 -10.448 3.978 4.392 644 HA GLU 81 HA GLU 81 -10.857 1.822 4.670 645 HB2 GLU 81 HB2 GLU 81 -13.781 2.545 4.439 646 HB3 GLU 81 HB3 GLU 81 -13.175 0.953 4.877 647 HG2 GLU 81 HG2 GLU 81 -11.924 2.246 6.758 648 HG3 GLU 81 HG3 GLU 81 -13.117 3.495 6.431 649 H ASP 82 H ASP 82 -10.824 3.327 1.967 650 HA ASP 82 HA ASP 82 -12.077 1.588 0.115 651 HB2 ASP 82 HB2 ASP 82 -10.824 4.007 -0.103 652 HB3 ASP 82 HB3 ASP 82 -9.596 2.927 -0.745 653 H THR 83 H THR 83 -10.452 0.503 -1.614 654 HA THR 83 HA THR 83 -8.460 -1.001 -0.076 655 HB THR 83 HB THR 83 -10.293 -2.460 -1.960 656 HG1 THR 83 HG1 THR 83 -11.028 -1.251 0.279 657 HG21 THR 83 HG21 THR 83 -8.745 -3.322 0.489 658 HG22 THR 83 HG22 THR 83 -8.205 -3.547 -1.177 659 HG23 THR 83 HG23 THR 83 -9.650 -4.378 -0.596 660 H ILE 84 H ILE 84 -6.828 -2.002 -1.300 661 HA ILE 84 HA ILE 84 -6.494 -0.976 -4.040 662 HB ILE 84 HB ILE 84 -4.416 -1.182 -1.830 663 HG12 ILE 84 HG12 ILE 84 -3.983 1.240 -2.569 664 HG13 ILE 84 HG13 ILE 84 -5.514 1.127 -3.425 665 HG21 ILE 84 HG21 ILE 84 -2.742 -0.465 -3.477 666 HG22 ILE 84 HG22 ILE 84 -3.938 -0.674 -4.757 667 HG23 ILE 84 HG23 ILE 84 -3.398 -2.066 -3.816 668 HD11 ILE 84 HD11 ILE 84 -5.795 2.197 -1.282 669 HD12 ILE 84 HD12 ILE 84 -5.103 0.789 -0.470 670 HD13 ILE 84 HD13 ILE 84 -6.644 0.649 -1.320 671 H ASP 85 H ASP 85 -5.601 -2.456 -5.509 672 HA ASP 85 HA ASP 85 -5.770 -5.243 -4.654 673 HB2 ASP 85 HB2 ASP 85 -6.915 -4.519 -6.711 674 HB3 ASP 85 HB3 ASP 85 -5.346 -4.050 -7.366 675 H VAL 86 H VAL 86 -4.105 -6.581 -4.524 676 HA VAL 86 HA VAL 86 -1.499 -5.580 -5.372 677 HB VAL 86 HB VAL 86 -2.324 -6.965 -2.852 678 HG11 VAL 86 HG11 VAL 86 0.441 -7.222 -4.052 679 HG12 VAL 86 HG12 VAL 86 -0.718 -8.536 -3.853 680 HG13 VAL 86 HG13 VAL 86 -0.042 -7.736 -2.433 681 HG21 VAL 86 HG21 VAL 86 -0.285 -4.862 -3.530 682 HG22 VAL 86 HG22 VAL 86 -0.680 -5.428 -1.907 683 HG23 VAL 86 HG23 VAL 86 -1.896 -4.588 -2.869 684 H PHE 87 H PHE 87 -0.307 -6.801 -6.577 685 HA PHE 87 HA PHE 87 -1.096 -9.575 -7.004 686 HB2 PHE 87 HB2 PHE 87 -0.379 -9.152 -9.477 687 HB3 PHE 87 HB3 PHE 87 -2.011 -8.733 -8.931 688 HD1 PHE 87 HD1 PHE 87 -2.383 -6.288 -8.223 689 HD2 PHE 87 HD2 PHE 87 0.911 -7.587 -10.580 690 HE1 PHE 87 HE1 PHE 87 -2.083 -4.004 -9.024 691 HE2 PHE 87 HE2 PHE 87 1.223 -5.291 -11.406 692 HZ PHE 87 HZ PHE 87 -0.274 -3.490 -10.632 693 H GLN 88 H GLN 88 0.539 -10.991 -7.280 694 HA GLN 88 HA GLN 88 3.171 -9.843 -6.694 695 HB2 GLN 88 HB2 GLN 88 2.492 -12.713 -6.213 696 HB3 GLN 88 HB3 GLN 88 3.677 -11.699 -5.401 697 HG2 GLN 88 HG2 GLN 88 1.620 -10.398 -4.521 698 HG3 GLN 88 HG3 GLN 88 0.713 -11.819 -5.012 699 HE21 GLN 88 HE21 GLN 88 3.957 -11.699 -3.656 700 HE22 GLN 88 HE22 GLN 88 3.577 -12.599 -2.227 701 H GLN 89 H GLN 89 4.383 -9.738 -8.402 702 HA GLN 89 HA GLN 89 4.182 -11.216 -10.745 703 HB2 GLN 89 HB2 GLN 89 6.603 -9.875 -9.547 704 HB3 GLN 89 HB3 GLN 89 6.497 -10.453 -11.202 705 HG2 GLN 89 HG2 GLN 89 4.681 -8.885 -11.641 706 HG3 GLN 89 HG3 GLN 89 4.769 -8.313 -9.975 707 HE21 GLN 89 HE21 GLN 89 5.260 -6.213 -10.617 708 HE22 GLN 89 HE22 GLN 89 6.805 -5.780 -11.254 709 H GLN 90 H GLN 90 6.097 -12.601 -11.584 710 HA GLN 90 HA GLN 90 6.110 -14.927 -9.899 711 HB2 GLN 90 HB2 GLN 90 7.303 -14.463 -12.633 712 HB3 GLN 90 HB3 GLN 90 7.276 -16.014 -11.805 713 HG2 GLN 90 HG2 GLN 90 4.857 -14.422 -12.638 714 HG3 GLN 90 HG3 GLN 90 5.498 -15.839 -13.467 715 HE21 GLN 90 HE21 GLN 90 3.789 -14.679 -10.672 716 HE22 GLN 90 HE22 GLN 90 3.224 -16.220 -10.127 717 H THR 91 H THR 91 7.738 -15.810 -8.857 718 HA THR 91 HA THR 91 10.006 -14.132 -8.230 719 HB THR 91 HB THR 91 10.656 -16.143 -6.765 720 HG1 THR 91 HG1 THR 91 9.246 -17.618 -7.954 721 HG21 THR 91 HG21 THR 91 8.007 -14.766 -6.299 722 HG22 THR 91 HG22 THR 91 9.594 -14.115 -5.888 723 HG23 THR 91 HG23 THR 91 8.991 -15.553 -5.066 724 H GLY 92 H GLY 92 12.074 -14.362 -8.932 725 HA2 GLY 92 HA2 GLY 92 13.856 -15.179 -10.131 726 HA3 GLY 92 HA3 GLY 92 13.064 -16.749 -10.127 727 H GLY 93 H GLY 93 12.164 -13.590 -11.487 728 HA2 GLY 93 HA2 GLY 93 11.390 -14.942 -13.943 729 HA3 GLY 93 HA3 GLY 93 11.057 -13.264 -13.528 Start of MODEL 3 1 H MET 1 H MET 1 4.199 8.720 27.645 2 HA MET 1 HA MET 1 5.190 10.811 28.223 3 HB2 MET 1 HB2 MET 1 6.993 10.811 26.582 4 HB3 MET 1 HB3 MET 1 6.526 9.170 26.986 5 HG2 MET 1 HG2 MET 1 5.641 10.643 24.521 6 HG3 MET 1 HG3 MET 1 7.010 9.539 24.598 7 HE1 MET 1 HE1 MET 1 4.431 7.452 22.563 8 HE2 MET 1 HE2 MET 1 6.078 8.077 22.626 9 HE3 MET 1 HE3 MET 1 4.719 9.188 22.466 10 H ALA 2 H ALA 2 2.756 11.080 26.052 11 HA ALA 2 HA ALA 2 1.696 12.792 25.015 12 HB1 ALA 2 HB1 ALA 2 1.869 15.002 25.989 13 HB2 ALA 2 HB2 ALA 2 3.378 14.556 26.785 14 HB3 ALA 2 HB3 ALA 2 1.867 13.783 27.267 15 H ASP 3 H ASP 3 4.012 11.793 23.736 16 HA ASP 3 HA ASP 3 5.310 14.093 22.493 17 HB2 ASP 3 HB2 ASP 3 5.761 11.157 22.477 18 HB3 ASP 3 HB3 ASP 3 6.250 12.042 21.037 19 H GLU 4 H GLU 4 2.440 13.585 22.166 20 HA GLU 4 HA GLU 4 2.166 12.818 19.386 21 HB2 GLU 4 HB2 GLU 4 0.087 13.670 21.401 22 HB3 GLU 4 HB3 GLU 4 -0.244 13.056 19.789 23 HG2 GLU 4 HG2 GLU 4 0.681 10.907 20.380 24 HG3 GLU 4 HG3 GLU 4 1.140 11.516 21.971 25 H LYS 5 H LYS 5 0.625 15.437 21.171 26 HA LYS 5 HA LYS 5 1.748 17.605 19.835 27 HB2 LYS 5 HB2 LYS 5 0.821 16.852 17.790 28 HB3 LYS 5 HB3 LYS 5 -0.728 16.493 18.538 29 HG2 LYS 5 HG2 LYS 5 -1.167 18.848 18.845 30 HG3 LYS 5 HG3 LYS 5 0.425 19.250 18.206 31 HD2 LYS 5 HD2 LYS 5 -0.158 18.476 16.036 32 HD3 LYS 5 HD3 LYS 5 -1.644 17.732 16.635 33 HE2 LYS 5 HE2 LYS 5 -2.150 19.806 15.494 34 HE3 LYS 5 HE3 LYS 5 -2.504 19.938 17.214 35 HZ1 LYS 5 HZ1 LYS 5 -0.261 21.015 17.433 36 HZ2 LYS 5 HZ2 LYS 5 -1.421 21.914 16.606 37 HZ3 LYS 5 HZ3 LYS 5 -0.211 21.112 15.747 38 HA PRO 6 HA PRO 6 -2.363 19.065 21.980 39 HB2 PRO 6 HB2 PRO 6 -3.803 17.197 23.327 40 HB3 PRO 6 HB3 PRO 6 -4.115 17.629 21.642 41 HG2 PRO 6 HG2 PRO 6 -2.556 15.323 22.745 42 HG3 PRO 6 HG3 PRO 6 -3.766 15.333 21.445 43 HD2 PRO 6 HD2 PRO 6 -1.146 15.304 20.906 44 HD3 PRO 6 HD3 PRO 6 -2.288 16.225 19.906 45 H LYS 7 H LYS 7 -3.038 19.264 24.283 46 HA LYS 7 HA LYS 7 -0.708 18.767 26.008 47 HB2 LYS 7 HB2 LYS 7 -2.895 20.835 26.244 48 HB3 LYS 7 HB3 LYS 7 -1.540 20.666 27.347 49 HG2 LYS 7 HG2 LYS 7 -1.221 21.233 24.409 50 HG3 LYS 7 HG3 LYS 7 -1.331 22.491 25.641 51 HD2 LYS 7 HD2 LYS 7 0.734 20.289 25.650 52 HD3 LYS 7 HD3 LYS 7 1.008 21.896 24.974 53 HE2 LYS 7 HE2 LYS 7 0.491 22.871 27.184 54 HE3 LYS 7 HE3 LYS 7 0.308 21.246 27.833 55 HZ1 LYS 7 HZ1 LYS 7 2.503 22.247 28.266 56 HZ2 LYS 7 HZ2 LYS 7 2.807 22.270 26.602 57 HZ3 LYS 7 HZ3 LYS 7 2.601 20.801 27.400 58 H GLU 8 H GLU 8 -4.186 18.410 25.788 59 HA GLU 8 HA GLU 8 -4.152 16.627 28.102 60 HB2 GLU 8 HB2 GLU 8 -6.131 17.770 29.043 61 HB3 GLU 8 HB3 GLU 8 -4.684 18.773 29.047 62 HG2 GLU 8 HG2 GLU 8 -5.489 19.898 27.014 63 HG3 GLU 8 HG3 GLU 8 -6.964 18.934 27.092 64 H GLY 9 H GLY 9 -4.743 16.822 25.056 65 HA2 GLY 9 HA2 GLY 9 -6.040 14.860 24.209 66 HA3 GLY 9 HA3 GLY 9 -7.381 15.563 25.111 67 H VAL 10 H VAL 10 -7.924 15.233 22.646 68 HA VAL 10 HA VAL 10 -7.546 17.866 21.414 69 HB VAL 10 HB VAL 10 -6.349 16.178 20.123 70 HG11 VAL 10 HG11 VAL 10 -9.002 14.774 19.879 71 HG12 VAL 10 HG12 VAL 10 -7.582 14.208 20.756 72 HG13 VAL 10 HG13 VAL 10 -7.533 14.347 18.998 73 HG21 VAL 10 HG21 VAL 10 -8.857 17.109 18.722 74 HG22 VAL 10 HG22 VAL 10 -7.386 16.551 17.926 75 HG23 VAL 10 HG23 VAL 10 -7.357 18.021 18.898 76 H LYS 11 H LYS 11 -9.315 18.916 20.680 77 HA LYS 11 HA LYS 11 -11.895 17.546 20.811 78 HB2 LYS 11 HB2 LYS 11 -11.739 18.941 22.795 79 HB3 LYS 11 HB3 LYS 11 -11.195 20.310 21.838 80 HG2 LYS 11 HG2 LYS 11 -13.366 20.460 20.765 81 HG3 LYS 11 HG3 LYS 11 -13.916 19.032 21.641 82 HD2 LYS 11 HD2 LYS 11 -13.706 20.184 23.743 83 HD3 LYS 11 HD3 LYS 11 -13.009 21.593 22.937 84 HE2 LYS 11 HE2 LYS 11 -15.085 21.993 21.763 85 HE3 LYS 11 HE3 LYS 11 -15.782 20.519 22.428 86 HZ1 LYS 11 HZ1 LYS 11 -14.930 22.866 24.039 87 HZ2 LYS 11 HZ2 LYS 11 -15.693 21.477 24.623 88 HZ3 LYS 11 HZ3 LYS 11 -16.522 22.524 23.592 89 H THR 12 H THR 12 -13.397 18.182 19.141 90 HA THR 12 HA THR 12 -14.047 18.883 17.221 91 HB THR 12 HB THR 12 -12.203 21.241 17.444 92 HG1 THR 12 HG1 THR 12 -14.553 20.543 18.853 93 HG21 THR 12 HG21 THR 12 -13.464 20.806 15.362 94 HG22 THR 12 HG22 THR 12 -13.945 22.322 16.146 95 HG23 THR 12 HG23 THR 12 -14.962 20.878 16.285 96 H GLU 13 H GLU 13 -11.834 17.118 17.266 97 HA GLU 13 HA GLU 13 -10.041 17.608 15.173 98 HB2 GLU 13 HB2 GLU 13 -9.866 15.171 14.932 99 HB3 GLU 13 HB3 GLU 13 -9.863 15.638 16.627 100 HG2 GLU 13 HG2 GLU 13 -12.322 15.120 16.650 101 HG3 GLU 13 HG3 GLU 13 -12.103 14.412 15.056 102 H ASN 14 H ASN 14 -10.152 17.036 12.873 103 HA ASN 14 HA ASN 14 -12.907 16.841 11.878 104 HB2 ASN 14 HB2 ASN 14 -10.779 18.692 10.777 105 HB3 ASN 14 HB3 ASN 14 -12.381 18.453 10.098 106 HD21 ASN 14 HD21 ASN 14 -10.510 19.974 12.537 107 HD22 ASN 14 HD22 ASN 14 -11.775 20.932 13.219 108 H ASN 15 H ASN 15 -9.535 16.894 10.707 109 HA ASN 15 HA ASN 15 -9.891 14.309 9.489 110 HB2 ASN 15 HB2 ASN 15 -9.337 15.064 7.208 111 HB3 ASN 15 HB3 ASN 15 -10.863 15.741 7.767 112 HD21 ASN 15 HD21 ASN 15 -10.973 17.921 8.273 113 HD22 ASN 15 HD22 ASN 15 -9.780 19.049 7.742 114 H ASP 16 H ASP 16 -7.995 13.264 9.207 115 HA ASP 16 HA ASP 16 -5.497 14.715 9.054 116 HB2 ASP 16 HB2 ASP 16 -5.640 14.491 11.447 117 HB3 ASP 16 HB3 ASP 16 -6.142 12.807 11.301 118 H HIS 17 H HIS 17 -6.560 11.415 9.824 119 HA HIS 17 HA HIS 17 -5.421 10.594 7.282 120 HB2 HIS 17 HB2 HIS 17 -4.303 8.720 8.277 121 HB3 HIS 17 HB3 HIS 17 -3.746 10.213 9.024 122 HD1 HIS 17 HD1 HIS 17 -4.513 10.634 11.527 123 HD2 HIS 17 HD2 HIS 17 -5.312 6.873 9.955 124 HE1 HIS 17 HE1 HIS 17 -5.110 9.188 13.498 125 HE2 HIS 17 HE2 HIS 17 -5.844 7.020 12.505 126 H ILE 18 H ILE 18 -6.102 8.456 6.607 127 HA ILE 18 HA ILE 18 -8.800 7.828 7.576 128 HB ILE 18 HB ILE 18 -9.379 7.210 5.252 129 HG12 ILE 18 HG12 ILE 18 -6.788 8.615 4.548 130 HG13 ILE 18 HG13 ILE 18 -7.052 6.880 4.444 131 HG21 ILE 18 HG21 ILE 18 -9.699 9.511 4.446 132 HG22 ILE 18 HG22 ILE 18 -8.535 10.082 5.643 133 HG23 ILE 18 HG23 ILE 18 -10.058 9.366 6.168 134 HD11 ILE 18 HD11 ILE 18 -7.204 7.907 2.266 135 HD12 ILE 18 HD12 ILE 18 -8.464 9.002 2.842 136 HD13 ILE 18 HD13 ILE 18 -8.777 7.267 2.742 137 H ASN 19 H ASN 19 -9.509 5.646 6.749 138 HA ASN 19 HA ASN 19 -7.415 3.718 7.374 139 HB2 ASN 19 HB2 ASN 19 -10.390 3.360 7.040 140 HB3 ASN 19 HB3 ASN 19 -9.270 2.145 7.646 141 HD21 ASN 19 HD21 ASN 19 -10.851 5.181 8.298 142 HD22 ASN 19 HD22 ASN 19 -10.593 5.175 10.010 143 H LEU 20 H LEU 20 -6.778 2.185 5.950 144 HA LEU 20 HA LEU 20 -8.122 2.072 3.341 145 HB2 LEU 20 HB2 LEU 20 -5.303 2.700 3.911 146 HB3 LEU 20 HB3 LEU 20 -5.554 1.510 2.652 147 HG LEU 20 HG LEU 20 -5.369 3.583 1.548 148 HD11 LEU 20 HD11 LEU 20 -7.244 2.147 0.803 149 HD12 LEU 20 HD12 LEU 20 -7.455 3.857 0.441 150 HD13 LEU 20 HD13 LEU 20 -8.336 3.131 1.780 151 HD21 LEU 20 HD21 LEU 20 -7.362 4.694 3.511 152 HD22 LEU 20 HD22 LEU 20 -6.686 5.558 2.130 153 HD23 LEU 20 HD23 LEU 20 -5.636 5.056 3.454 154 H LYS 21 H LYS 21 -7.604 0.134 2.125 155 HA LYS 21 HA LYS 21 -6.839 -2.144 3.799 156 HB2 LYS 21 HB2 LYS 21 -9.222 -1.959 1.975 157 HB3 LYS 21 HB3 LYS 21 -8.647 -3.446 2.711 158 HG2 LYS 21 HG2 LYS 21 -9.166 -2.682 4.868 159 HG3 LYS 21 HG3 LYS 21 -9.499 -1.051 4.281 160 HD2 LYS 21 HD2 LYS 21 -11.593 -2.229 4.708 161 HD3 LYS 21 HD3 LYS 21 -11.400 -1.932 2.979 162 HE2 LYS 21 HE2 LYS 21 -10.595 -4.225 2.685 163 HE3 LYS 21 HE3 LYS 21 -10.801 -4.520 4.410 164 HZ1 LYS 21 HZ1 LYS 21 -12.941 -3.913 2.437 165 HZ2 LYS 21 HZ2 LYS 21 -13.196 -4.039 4.098 166 HZ3 LYS 21 HZ3 LYS 21 -12.674 -5.384 3.220 167 H VAL 22 H VAL 22 -5.840 -3.774 2.696 168 HA VAL 22 HA VAL 22 -5.394 -3.312 -0.173 169 HB VAL 22 HB VAL 22 -3.248 -4.190 1.784 170 HG11 VAL 22 HG11 VAL 22 -1.785 -4.309 -0.133 171 HG12 VAL 22 HG12 VAL 22 -3.137 -3.926 -1.200 172 HG13 VAL 22 HG13 VAL 22 -3.131 -5.438 -0.291 173 HG21 VAL 22 HG21 VAL 22 -2.110 -2.170 1.179 174 HG22 VAL 22 HG22 VAL 22 -3.756 -1.729 1.642 175 HG23 VAL 22 HG23 VAL 22 -3.310 -1.807 -0.056 176 H ALA 23 H ALA 23 -6.239 -4.864 -1.231 177 HA ALA 23 HA ALA 23 -6.562 -7.485 -0.008 178 HB1 ALA 23 HB1 ALA 23 -7.595 -6.434 -2.633 179 HB2 ALA 23 HB2 ALA 23 -8.500 -6.470 -1.120 180 HB3 ALA 23 HB3 ALA 23 -8.016 -7.979 -1.898 181 H GLY 24 H GLY 24 -5.416 -9.169 -0.569 182 HA2 GLY 24 HA2 GLY 24 -3.264 -8.702 -2.475 183 HA3 GLY 24 HA3 GLY 24 -3.307 -9.975 -1.259 184 H GLN 25 H GLN 25 -2.702 -10.475 -3.928 185 HA GLN 25 HA GLN 25 -4.925 -11.394 -5.407 186 HB2 GLN 25 HB2 GLN 25 -3.245 -12.671 -6.734 187 HB3 GLN 25 HB3 GLN 25 -2.845 -10.971 -6.530 188 HG2 GLN 25 HG2 GLN 25 -0.826 -12.005 -6.194 189 HG3 GLN 25 HG3 GLN 25 -1.410 -11.787 -4.547 190 HE21 GLN 25 HE21 GLN 25 -0.259 -13.449 -3.673 191 HE22 GLN 25 HE22 GLN 25 -0.556 -15.111 -4.033 192 H ASP 26 H ASP 26 -3.543 -12.569 -2.613 193 HA ASP 26 HA ASP 26 -4.175 -15.353 -2.952 194 HB2 ASP 26 HB2 ASP 26 -2.348 -14.747 -1.483 195 HB3 ASP 26 HB3 ASP 26 -3.400 -13.705 -0.533 196 H GLY 27 H GLY 27 -5.918 -12.526 -2.225 197 HA2 GLY 27 HA2 GLY 27 -8.278 -12.502 -2.103 198 HA3 GLY 27 HA3 GLY 27 -8.249 -14.147 -1.491 199 H SER 28 H SER 28 -5.952 -12.327 0.063 200 HA SER 28 HA SER 28 -7.698 -12.028 2.387 201 HB2 SER 28 HB2 SER 28 -5.688 -13.395 2.719 202 HB3 SER 28 HB3 SER 28 -4.679 -12.042 2.206 203 HG SER 28 HG SER 28 -4.738 -11.383 4.177 204 H VAL 29 H VAL 29 -7.547 -10.119 3.624 205 HA VAL 29 HA VAL 29 -6.420 -7.854 2.181 206 HB VAL 29 HB VAL 29 -8.833 -8.064 1.575 207 HG11 VAL 29 HG11 VAL 29 -9.727 -8.864 3.694 208 HG12 VAL 29 HG12 VAL 29 -10.531 -7.363 3.224 209 HG13 VAL 29 HG13 VAL 29 -9.286 -7.341 4.470 210 HG21 VAL 29 HG21 VAL 29 -8.057 -5.565 3.069 211 HG22 VAL 29 HG22 VAL 29 -9.357 -5.684 1.879 212 HG23 VAL 29 HG23 VAL 29 -7.681 -5.934 1.387 213 H VAL 30 H VAL 30 -5.528 -6.308 3.448 214 HA VAL 30 HA VAL 30 -5.772 -6.667 6.340 215 HB VAL 30 HB VAL 30 -3.477 -6.805 5.397 216 HG11 VAL 30 HG11 VAL 30 -3.752 -5.339 3.491 217 HG12 VAL 30 HG12 VAL 30 -2.380 -4.838 4.482 218 HG13 VAL 30 HG13 VAL 30 -3.900 -3.948 4.564 219 HG21 VAL 30 HG21 VAL 30 -3.592 -6.092 7.661 220 HG22 VAL 30 HG22 VAL 30 -4.088 -4.470 7.192 221 HG23 VAL 30 HG23 VAL 30 -2.448 -5.013 6.858 222 H GLN 31 H GLN 31 -6.458 -4.979 7.660 223 HA GLN 31 HA GLN 31 -7.317 -2.533 6.296 224 HB2 GLN 31 HB2 GLN 31 -8.287 -3.513 8.956 225 HB3 GLN 31 HB3 GLN 31 -9.043 -2.341 7.885 226 HG2 GLN 31 HG2 GLN 31 -9.383 -4.165 6.227 227 HG3 GLN 31 HG3 GLN 31 -8.807 -5.303 7.438 228 HE21 GLN 31 HE21 GLN 31 -11.333 -3.148 6.517 229 HE22 GLN 31 HE22 GLN 31 -12.511 -3.774 7.604 230 H PHE 32 H PHE 32 -6.338 -0.745 6.849 231 HA PHE 32 HA PHE 32 -4.878 -0.473 9.358 232 HB2 PHE 32 HB2 PHE 32 -2.770 0.128 8.207 233 HB3 PHE 32 HB3 PHE 32 -3.205 -1.571 8.006 234 HD1 PHE 32 HD1 PHE 32 -4.548 -2.120 5.826 235 HD2 PHE 32 HD2 PHE 32 -2.160 1.364 6.337 236 HE1 PHE 32 HE1 PHE 32 -4.417 -1.860 3.401 237 HE2 PHE 32 HE2 PHE 32 -2.024 1.626 3.920 238 HZ PHE 32 HZ PHE 32 -3.147 0.019 2.441 239 H LYS 33 H LYS 33 -3.738 1.679 9.408 240 HA LYS 33 HA LYS 33 -5.505 3.680 8.156 241 HB2 LYS 33 HB2 LYS 33 -3.993 4.017 10.737 242 HB3 LYS 33 HB3 LYS 33 -5.246 5.059 10.081 243 HG2 LYS 33 HG2 LYS 33 -6.809 3.090 10.281 244 HG3 LYS 33 HG3 LYS 33 -5.545 2.304 11.211 245 HD2 LYS 33 HD2 LYS 33 -6.774 4.969 11.908 246 HD3 LYS 33 HD3 LYS 33 -7.200 3.431 12.657 247 HE2 LYS 33 HE2 LYS 33 -4.476 4.725 12.692 248 HE3 LYS 33 HE3 LYS 33 -5.622 4.702 14.030 249 HZ1 LYS 33 HZ1 LYS 33 -4.337 2.322 12.801 250 HZ2 LYS 33 HZ2 LYS 33 -5.460 2.287 14.066 251 HZ3 LYS 33 HZ3 LYS 33 -3.944 3.001 14.300 252 H ILE 34 H ILE 34 -4.612 5.490 7.198 253 HA ILE 34 HA ILE 34 -1.766 5.970 7.451 254 HB ILE 34 HB ILE 34 -1.804 4.409 5.570 255 HG12 ILE 34 HG12 ILE 34 -1.401 7.232 4.546 256 HG13 ILE 34 HG13 ILE 34 -0.230 6.345 5.512 257 HG21 ILE 34 HG21 ILE 34 -3.014 4.933 3.493 258 HG22 ILE 34 HG22 ILE 34 -3.759 6.317 4.293 259 HG23 ILE 34 HG23 ILE 34 -4.100 4.684 4.860 260 HD11 ILE 34 HD11 ILE 34 0.030 4.718 3.753 261 HD12 ILE 34 HD12 ILE 34 0.302 6.342 3.122 262 HD13 ILE 34 HD13 ILE 34 -1.220 5.512 2.797 263 H LYS 35 H LYS 35 -1.177 8.095 7.002 264 HA LYS 35 HA LYS 35 -3.361 9.952 7.143 265 HB2 LYS 35 HB2 LYS 35 -0.450 10.649 6.945 266 HB3 LYS 35 HB3 LYS 35 -1.756 11.631 7.595 267 HG2 LYS 35 HG2 LYS 35 -1.976 9.546 9.225 268 HG3 LYS 35 HG3 LYS 35 -0.270 9.394 8.822 269 HD2 LYS 35 HD2 LYS 35 -1.583 11.882 9.922 270 HD3 LYS 35 HD3 LYS 35 -0.592 10.753 10.844 271 HE2 LYS 35 HE2 LYS 35 1.328 11.264 9.445 272 HE3 LYS 35 HE3 LYS 35 0.342 12.343 8.456 273 HZ1 LYS 35 HZ1 LYS 35 1.647 13.569 10.060 274 HZ2 LYS 35 HZ2 LYS 35 0.957 12.707 11.337 275 HZ3 LYS 35 HZ3 LYS 35 -0.001 13.739 10.399 276 H ARG 36 H ARG 36 -3.610 11.772 5.839 277 HA ARG 36 HA ARG 36 -3.728 11.133 3.099 278 HB2 ARG 36 HB2 ARG 36 -3.917 13.906 4.265 279 HB3 ARG 36 HB3 ARG 36 -4.638 13.317 2.778 280 HG2 ARG 36 HG2 ARG 36 -5.437 12.679 5.600 281 HG3 ARG 36 HG3 ARG 36 -6.380 13.504 4.360 282 HD2 ARG 36 HD2 ARG 36 -5.560 10.606 4.410 283 HD3 ARG 36 HD3 ARG 36 -7.187 11.235 4.634 284 HE ARG 36 HE ARG 36 -5.919 10.649 2.182 285 HH11 ARG 36 HH11 ARG 36 -8.082 13.078 3.563 286 HH12 ARG 36 HH12 ARG 36 -8.795 13.473 2.043 287 HH21 ARG 36 HH21 ARG 36 -6.884 11.211 0.165 288 HH22 ARG 36 HH22 ARG 36 -8.083 12.453 0.104 289 H HIS 37 H HIS 37 -1.470 13.004 5.023 290 HA HIS 37 HA HIS 37 0.011 13.809 2.639 291 HB2 HIS 37 HB2 HIS 37 0.359 14.517 5.558 292 HB3 HIS 37 HB3 HIS 37 1.417 15.087 4.273 293 HD1 HIS 37 HD1 HIS 37 0.521 16.940 2.733 294 HD2 HIS 37 HD2 HIS 37 -2.186 15.713 5.640 295 HE1 HIS 37 HE1 HIS 37 -1.326 18.652 2.709 296 HE2 HIS 37 HE2 HIS 37 -2.882 17.951 4.563 297 H THR 38 H THR 38 -0.160 11.117 4.314 298 HA THR 38 HA THR 38 2.682 10.656 4.607 299 HB THR 38 HB THR 38 0.254 9.060 5.434 300 HG1 THR 38 HG1 THR 38 2.288 9.730 7.201 301 HG21 THR 38 HG21 THR 38 1.979 7.503 4.640 302 HG22 THR 38 HG22 THR 38 1.807 7.417 6.398 303 HG23 THR 38 HG23 THR 38 3.169 8.285 5.679 304 HA PRO 39 HA PRO 39 2.937 8.866 0.567 305 HB2 PRO 39 HB2 PRO 39 5.313 7.567 0.938 306 HB3 PRO 39 HB3 PRO 39 5.182 9.298 0.593 307 HG2 PRO 39 HG2 PRO 39 5.574 7.898 3.206 308 HG3 PRO 39 HG3 PRO 39 6.338 9.380 2.605 309 HD2 PRO 39 HD2 PRO 39 4.315 9.424 4.369 310 HD3 PRO 39 HD3 PRO 39 4.504 10.684 3.137 311 H LEU 40 H LEU 40 2.661 6.906 -0.461 312 HA LEU 40 HA LEU 40 1.426 4.823 0.943 313 HB2 LEU 40 HB2 LEU 40 2.502 5.032 -1.855 314 HB3 LEU 40 HB3 LEU 40 1.612 3.636 -1.280 315 HG LEU 40 HG LEU 40 0.508 6.427 -1.274 316 HD11 LEU 40 HD11 LEU 40 0.187 4.266 -3.335 317 HD12 LEU 40 HD12 LEU 40 1.003 5.815 -3.555 318 HD13 LEU 40 HD13 LEU 40 -0.740 5.764 -3.279 319 HD21 LEU 40 HD21 LEU 40 -0.823 3.748 -1.056 320 HD22 LEU 40 HD22 LEU 40 -1.637 5.313 -1.065 321 HD23 LEU 40 HD23 LEU 40 -0.564 4.885 0.268 322 H SER 41 H SER 41 4.705 5.510 0.558 323 HA SER 41 HA SER 41 5.960 3.079 0.286 324 HB2 SER 41 HB2 SER 41 7.760 4.114 1.739 325 HB3 SER 41 HB3 SER 41 7.263 5.080 0.351 326 HG SER 41 HG SER 41 7.352 6.384 2.175 327 HH31 ALY 42 HH31 ALY 42 -1.162 1.501 9.395 328 HH32 ALY 42 HH32 ALY 42 -0.176 1.289 10.857 329 HH33 ALY 42 HH33 ALY 42 0.337 0.583 9.309 330 HZ ALY 42 HZ ALY 42 -0.031 2.792 7.585 331 HE3 ALY 42 HE3 ALY 42 1.862 4.715 8.089 332 HE2 ALY 42 HE2 ALY 42 2.760 3.214 7.867 333 HD3 ALY 42 HD3 ALY 42 1.706 2.922 5.667 334 HD2 ALY 42 HD2 ALY 42 0.825 4.433 5.899 335 HG3 ALY 42 HG3 ALY 42 2.767 4.812 4.482 336 HG2 ALY 42 HG2 ALY 42 2.988 5.635 6.021 337 HB3 ALY 42 HB3 ALY 42 5.042 4.671 5.761 338 HB2 ALY 42 HB2 ALY 42 4.224 3.420 6.670 339 HCA ALY 42 HCA ALY 42 5.468 2.360 4.919 340 H ALY 42 H ALY 42 4.704 4.542 3.276 341 H LEU 43 H LEU 43 2.622 3.138 3.071 342 HA LEU 43 HA LEU 43 0.881 1.187 4.122 343 HB2 LEU 43 HB2 LEU 43 -0.060 2.959 2.849 344 HB3 LEU 43 HB3 LEU 43 0.995 2.654 1.490 345 HG LEU 43 HG LEU 43 -1.027 0.575 2.261 346 HD11 LEU 43 HD11 LEU 43 -2.656 1.664 0.782 347 HD12 LEU 43 HD12 LEU 43 -1.584 3.050 0.631 348 HD13 LEU 43 HD13 LEU 43 -2.299 2.660 2.193 349 HD21 LEU 43 HD21 LEU 43 0.617 0.062 0.531 350 HD22 LEU 43 HD22 LEU 43 0.153 1.529 -0.350 351 HD23 LEU 43 HD23 LEU 43 -1.000 0.197 -0.176 352 H MET 44 H MET 44 3.031 1.135 1.300 353 HA MET 44 HA MET 44 2.489 -1.505 0.499 354 HB2 MET 44 HB2 MET 44 4.772 0.379 0.054 355 HB3 MET 44 HB3 MET 44 4.915 -1.295 -0.458 356 HG2 MET 44 HG2 MET 44 3.179 -1.106 -1.978 357 HG3 MET 44 HG3 MET 44 2.597 0.413 -1.327 358 HE1 MET 44 HE1 MET 44 3.777 1.657 -4.770 359 HE2 MET 44 HE2 MET 44 2.528 1.732 -3.527 360 HE3 MET 44 HE3 MET 44 2.851 0.211 -4.361 361 H LYS 45 H LYS 45 4.832 -0.178 2.765 362 HA LYS 45 HA LYS 45 6.112 -2.657 3.253 363 HB2 LYS 45 HB2 LYS 45 7.254 -0.551 3.715 364 HB3 LYS 45 HB3 LYS 45 6.041 -0.126 4.910 365 HG2 LYS 45 HG2 LYS 45 8.126 -0.896 5.932 366 HG3 LYS 45 HG3 LYS 45 6.768 -1.944 6.347 367 HD2 LYS 45 HD2 LYS 45 8.620 -3.359 5.860 368 HD3 LYS 45 HD3 LYS 45 7.528 -3.464 4.482 369 HE2 LYS 45 HE2 LYS 45 9.808 -3.286 3.691 370 HE3 LYS 45 HE3 LYS 45 8.933 -1.812 3.291 371 HZ1 LYS 45 HZ1 LYS 45 9.970 -0.706 5.150 372 HZ2 LYS 45 HZ2 LYS 45 11.158 -1.376 4.157 373 HZ3 LYS 45 HZ3 LYS 45 10.755 -2.128 5.613 374 H ALA 46 H ALA 46 3.456 -0.931 4.808 375 HA ALA 46 HA ALA 46 3.170 -2.490 7.113 376 HB1 ALA 46 HB1 ALA 46 0.976 -1.156 5.527 377 HB2 ALA 46 HB2 ALA 46 1.973 -0.375 6.754 378 HB3 ALA 46 HB3 ALA 46 0.873 -1.676 7.210 379 H TYR 47 H TYR 47 1.524 -2.846 3.973 380 HA TYR 47 HA TYR 47 0.192 -5.225 4.636 381 HB2 TYR 47 HB2 TYR 47 -0.642 -4.038 2.797 382 HB3 TYR 47 HB3 TYR 47 0.938 -3.945 2.014 383 HD1 TYR 47 HD1 TYR 47 -1.948 -6.093 2.747 384 HD2 TYR 47 HD2 TYR 47 1.736 -5.757 0.668 385 HE1 TYR 47 HE1 TYR 47 -2.527 -8.075 1.424 386 HE2 TYR 47 HE2 TYR 47 1.174 -7.735 -0.669 387 HH TYR 47 HH TYR 47 -1.931 -9.026 -0.776 388 H CYS 48 H CYS 48 3.383 -4.596 3.279 389 HA CYS 48 HA CYS 48 4.033 -7.260 2.579 390 HB2 CYS 48 HB2 CYS 48 5.478 -5.799 1.575 391 HB3 CYS 48 HB3 CYS 48 5.516 -4.704 2.956 392 HG CYS 48 HG CYS 48 7.170 -7.702 2.845 393 H GLU 49 H GLU 49 4.274 -5.457 5.559 394 HA GLU 49 HA GLU 49 5.847 -7.385 6.950 395 HB2 GLU 49 HB2 GLU 49 4.052 -5.202 7.995 396 HB3 GLU 49 HB3 GLU 49 5.212 -6.113 8.956 397 HG2 GLU 49 HG2 GLU 49 6.010 -4.539 6.544 398 HG3 GLU 49 HG3 GLU 49 5.923 -3.819 8.141 399 H ARG 50 H ARG 50 2.410 -6.689 6.732 400 HA ARG 50 HA ARG 50 1.501 -8.543 8.641 401 HB2 ARG 50 HB2 ARG 50 0.130 -7.470 6.178 402 HB3 ARG 50 HB3 ARG 50 -0.673 -8.362 7.462 403 HG2 ARG 50 HG2 ARG 50 0.799 -5.782 7.885 404 HG3 ARG 50 HG3 ARG 50 -0.931 -5.894 7.563 405 HD2 ARG 50 HD2 ARG 50 0.506 -7.187 9.873 406 HD3 ARG 50 HD3 ARG 50 -0.431 -5.702 9.951 407 HE ARG 50 HE ARG 50 -1.545 -8.371 9.375 408 HH11 ARG 50 HH11 ARG 50 -1.931 -5.098 10.600 409 HH12 ARG 50 HH12 ARG 50 -3.551 -5.357 11.143 410 HH21 ARG 50 HH21 ARG 50 -3.704 -8.713 10.114 411 HH22 ARG 50 HH22 ARG 50 -4.554 -7.416 10.875 412 H GLN 51 H GLN 51 1.721 -8.840 5.107 413 HA GLN 51 HA GLN 51 0.914 -11.603 5.223 414 HB2 GLN 51 HB2 GLN 51 1.407 -9.628 3.095 415 HB3 GLN 51 HB3 GLN 51 1.779 -11.290 2.668 416 HG2 GLN 51 HG2 GLN 51 -0.480 -10.739 2.011 417 HG3 GLN 51 HG3 GLN 51 -0.494 -11.960 3.277 418 HE21 GLN 51 HE21 GLN 51 0.049 -8.533 3.843 419 HE22 GLN 51 HE22 GLN 51 -1.431 -8.260 4.692 420 H GLY 52 H GLY 52 3.910 -9.918 5.300 421 HA2 GLY 52 HA2 GLY 52 5.980 -10.826 5.840 422 HA3 GLY 52 HA3 GLY 52 5.304 -12.432 5.626 423 H LEU 53 H LEU 53 4.502 -10.682 2.950 424 HA LEU 53 HA LEU 53 6.527 -12.004 1.385 425 HB2 LEU 53 HB2 LEU 53 5.231 -11.023 -0.554 426 HB3 LEU 53 HB3 LEU 53 4.379 -12.172 0.454 427 HG LEU 53 HG LEU 53 3.327 -10.161 1.622 428 HD11 LEU 53 HD11 LEU 53 4.402 -8.722 -0.787 429 HD12 LEU 53 HD12 LEU 53 4.896 -8.468 0.886 430 HD13 LEU 53 HD13 LEU 53 3.251 -8.077 0.385 431 HD21 LEU 53 HD21 LEU 53 2.110 -11.561 0.049 432 HD22 LEU 53 HD22 LEU 53 2.744 -10.617 -1.299 433 HD23 LEU 53 HD23 LEU 53 1.650 -9.869 -0.135 434 H SER 54 H SER 54 7.299 -10.600 -0.598 435 HA SER 54 HA SER 54 8.722 -8.337 0.584 436 HB2 SER 54 HB2 SER 54 9.193 -9.901 -1.958 437 HB3 SER 54 HB3 SER 54 10.225 -8.597 -1.386 438 HG SER 54 HG SER 54 9.638 -10.770 0.297 439 H MET 55 H MET 55 8.214 -6.292 0.043 440 HA MET 55 HA MET 55 6.009 -5.653 -1.574 441 HB2 MET 55 HB2 MET 55 6.779 -3.283 -1.410 442 HB3 MET 55 HB3 MET 55 6.651 -4.105 0.136 443 HG2 MET 55 HG2 MET 55 8.903 -4.072 0.501 444 HG3 MET 55 HG3 MET 55 9.297 -4.080 -1.220 445 HE1 MET 55 HE1 MET 55 7.774 -1.921 1.693 446 HE2 MET 55 HE2 MET 55 6.655 -1.625 0.365 447 HE3 MET 55 HE3 MET 55 7.697 -0.327 0.945 448 H ARG 56 H ARG 56 9.319 -6.115 -2.422 449 HA ARG 56 HA ARG 56 9.186 -4.705 -4.924 450 HB2 ARG 56 HB2 ARG 56 11.401 -5.616 -5.322 451 HB3 ARG 56 HB3 ARG 56 11.283 -4.965 -3.696 452 HG2 ARG 56 HG2 ARG 56 10.847 -7.309 -2.908 453 HG3 ARG 56 HG3 ARG 56 11.305 -7.841 -4.526 454 HD2 ARG 56 HD2 ARG 56 13.215 -7.979 -3.093 455 HD3 ARG 56 HD3 ARG 56 13.458 -6.668 -4.249 456 HE ARG 56 HE ARG 56 12.649 -5.193 -2.328 457 HH11 ARG 56 HH11 ARG 56 14.466 -8.173 -1.864 458 HH12 ARG 56 HH12 ARG 56 15.156 -7.660 -0.367 459 HH21 ARG 56 HH21 ARG 56 13.557 -4.525 -0.318 460 HH22 ARG 56 HH22 ARG 56 14.627 -5.587 0.525 461 H GLN 57 H GLN 57 8.058 -7.680 -3.848 462 HA GLN 57 HA GLN 57 8.229 -8.938 -6.496 463 HB2 GLN 57 HB2 GLN 57 7.308 -10.081 -3.857 464 HB3 GLN 57 HB3 GLN 57 7.532 -10.980 -5.351 465 HG2 GLN 57 HG2 GLN 57 9.735 -9.507 -3.941 466 HG3 GLN 57 HG3 GLN 57 9.356 -11.206 -3.663 467 HE21 GLN 57 HE21 GLN 57 10.580 -8.868 -5.921 468 HE22 GLN 57 HE22 GLN 57 11.338 -9.995 -6.982 469 H ILE 58 H ILE 58 6.272 -6.798 -5.149 470 HA ILE 58 HA ILE 58 3.888 -7.961 -6.363 471 HB ILE 58 HB ILE 58 2.498 -6.997 -4.522 472 HG12 ILE 58 HG12 ILE 58 5.095 -6.867 -3.012 473 HG13 ILE 58 HG13 ILE 58 4.317 -5.460 -3.730 474 HG21 ILE 58 HG21 ILE 58 3.110 -9.391 -4.653 475 HG22 ILE 58 HG22 ILE 58 2.820 -8.828 -3.009 476 HG23 ILE 58 HG23 ILE 58 4.471 -9.065 -3.584 477 HD11 ILE 58 HD11 ILE 58 3.834 -5.654 -1.343 478 HD12 ILE 58 HD12 ILE 58 3.117 -7.242 -1.627 479 HD13 ILE 58 HD13 ILE 58 2.371 -5.803 -2.315 480 H ARG 59 H ARG 59 2.123 -6.166 -6.312 481 HA ARG 59 HA ARG 59 3.192 -3.513 -6.781 482 HB2 ARG 59 HB2 ARG 59 2.004 -5.244 -8.923 483 HB3 ARG 59 HB3 ARG 59 1.839 -3.495 -9.004 484 HG2 ARG 59 HG2 ARG 59 4.488 -4.882 -8.734 485 HG3 ARG 59 HG3 ARG 59 3.757 -4.466 -10.288 486 HD2 ARG 59 HD2 ARG 59 4.193 -2.448 -8.110 487 HD3 ARG 59 HD3 ARG 59 5.414 -2.795 -9.325 488 HE ARG 59 HE ARG 59 3.356 -2.279 -10.882 489 HH11 ARG 59 HH11 ARG 59 4.359 -0.572 -7.975 490 HH12 ARG 59 HH12 ARG 59 3.808 0.963 -8.549 491 HH21 ARG 59 HH21 ARG 59 2.635 -0.257 -11.621 492 HH22 ARG 59 HH22 ARG 59 2.831 1.143 -10.618 493 H PHE 60 H PHE 60 1.646 -1.879 -6.682 494 HA PHE 60 HA PHE 60 -0.949 -2.767 -5.600 495 HB2 PHE 60 HB2 PHE 60 0.677 -0.293 -4.879 496 HB3 PHE 60 HB3 PHE 60 -0.980 -0.565 -4.377 497 HD1 PHE 60 HD1 PHE 60 2.307 -2.330 -4.316 498 HD2 PHE 60 HD2 PHE 60 -1.313 -1.404 -2.287 499 HE1 PHE 60 HE1 PHE 60 3.130 -3.492 -2.311 500 HE2 PHE 60 HE2 PHE 60 -0.485 -2.573 -0.285 501 HZ PHE 60 HZ PHE 60 1.730 -3.623 -0.304 502 H ARG 61 H ARG 61 -2.712 -2.180 -6.629 503 HA ARG 61 HA ARG 61 -2.621 0.205 -8.339 504 HB2 ARG 61 HB2 ARG 61 -3.877 -0.905 -10.113 505 HB3 ARG 61 HB3 ARG 61 -2.383 -1.760 -9.775 506 HG2 ARG 61 HG2 ARG 61 -3.565 -3.611 -9.683 507 HG3 ARG 61 HG3 ARG 61 -4.205 -2.996 -8.160 508 HD2 ARG 61 HD2 ARG 61 -6.122 -2.105 -9.267 509 HD3 ARG 61 HD3 ARG 61 -5.426 -2.431 -10.856 510 HE ARG 61 HE ARG 61 -5.735 -4.763 -9.175 511 HH11 ARG 61 HH11 ARG 61 -7.243 -2.796 -11.661 512 HH12 ARG 61 HH12 ARG 61 -8.370 -4.024 -12.108 513 HH21 ARG 61 HH21 ARG 61 -7.180 -6.368 -9.769 514 HH22 ARG 61 HH22 ARG 61 -8.340 -6.078 -11.031 515 H PHE 62 H PHE 62 -4.351 1.486 -8.300 516 HA PHE 62 HA PHE 62 -6.707 0.606 -6.807 517 HB2 PHE 62 HB2 PHE 62 -5.337 1.806 -5.201 518 HB3 PHE 62 HB3 PHE 62 -5.094 3.122 -6.341 519 HD1 PHE 62 HD1 PHE 62 -7.519 1.493 -4.118 520 HD2 PHE 62 HD2 PHE 62 -6.714 4.837 -6.617 521 HE1 PHE 62 HE1 PHE 62 -9.465 2.658 -3.182 522 HE2 PHE 62 HE2 PHE 62 -8.664 6.010 -5.683 523 HZ PHE 62 HZ PHE 62 -10.038 4.916 -3.961 524 H ASP 63 H ASP 63 -8.581 1.304 -7.717 525 HA ASP 63 HA ASP 63 -10.034 2.277 -9.201 526 HB2 ASP 63 HB2 ASP 63 -8.921 4.346 -8.078 527 HB3 ASP 63 HB3 ASP 63 -8.094 4.521 -9.600 528 H GLY 64 H GLY 64 -7.910 0.498 -10.190 529 HA2 GLY 64 HA2 GLY 64 -7.338 -0.244 -12.276 530 HA3 GLY 64 HA3 GLY 64 -8.162 1.165 -12.934 531 H GLN 65 H GLN 65 -6.114 2.492 -10.767 532 HA GLN 65 HA GLN 65 -4.000 2.675 -12.795 533 HB2 GLN 65 HB2 GLN 65 -3.573 4.997 -11.881 534 HB3 GLN 65 HB3 GLN 65 -5.058 4.787 -12.795 535 HG2 GLN 65 HG2 GLN 65 -6.250 4.538 -10.611 536 HG3 GLN 65 HG3 GLN 65 -4.762 5.021 -9.808 537 HE21 GLN 65 HE21 GLN 65 -7.360 5.993 -11.843 538 HE22 GLN 65 HE22 GLN 65 -7.117 7.700 -11.716 539 HA PRO 66 HA PRO 66 -1.306 1.131 -9.692 540 HB2 PRO 66 HB2 PRO 66 1.043 1.663 -10.891 541 HB3 PRO 66 HB3 PRO 66 -0.049 0.409 -11.485 542 HG2 PRO 66 HG2 PRO 66 0.331 3.208 -12.485 543 HG3 PRO 66 HG3 PRO 66 0.174 1.705 -13.412 544 HD2 PRO 66 HD2 PRO 66 -1.904 3.436 -13.026 545 HD3 PRO 66 HD3 PRO 66 -2.116 1.684 -13.229 546 H ILE 67 H ILE 67 -0.168 1.887 -7.952 547 HA ILE 67 HA ILE 67 0.451 4.766 -7.946 548 HB ILE 67 HB ILE 67 -0.005 4.770 -5.474 549 HG12 ILE 67 HG12 ILE 67 -0.167 2.176 -5.387 550 HG13 ILE 67 HG13 ILE 67 -1.279 3.116 -4.401 551 HG21 ILE 67 HG21 ILE 67 -2.308 4.456 -7.377 552 HG22 ILE 67 HG22 ILE 67 -1.444 5.938 -6.951 553 HG23 ILE 67 HG23 ILE 67 -2.436 5.119 -5.747 554 HD11 ILE 67 HD11 ILE 67 -2.390 1.238 -5.469 555 HD12 ILE 67 HD12 ILE 67 -1.907 1.843 -7.055 556 HD13 ILE 67 HD13 ILE 67 -3.032 2.769 -6.063 557 H ASN 68 H ASN 68 2.313 5.348 -7.312 558 HA ASN 68 HA ASN 68 4.230 3.328 -6.514 559 HB2 ASN 68 HB2 ASN 68 5.728 5.532 -6.726 560 HB3 ASN 68 HB3 ASN 68 5.258 4.583 -8.131 561 HD21 ASN 68 HD21 ASN 68 4.651 7.466 -6.313 562 HD22 ASN 68 HD22 ASN 68 3.740 8.295 -7.524 563 H GLU 69 H GLU 69 5.513 3.516 -4.713 564 HA GLU 69 HA GLU 69 4.264 4.258 -2.347 565 HB2 GLU 69 HB2 GLU 69 6.640 4.021 -1.378 566 HB3 GLU 69 HB3 GLU 69 5.831 2.616 -2.059 567 HG2 GLU 69 HG2 GLU 69 7.906 2.420 -2.960 568 HG3 GLU 69 HG3 GLU 69 7.086 3.311 -4.218 569 H THR 70 H THR 70 6.067 6.178 -4.490 570 HA THR 70 HA THR 70 6.865 8.156 -2.617 571 HB THR 70 HB THR 70 7.339 9.528 -4.665 572 HG1 THR 70 HG1 THR 70 6.856 8.693 -6.634 573 HG21 THR 70 HG21 THR 70 8.341 6.690 -4.725 574 HG22 THR 70 HG22 THR 70 9.007 7.985 -3.725 575 HG23 THR 70 HG23 THR 70 9.122 8.076 -5.487 576 H ASP 71 H ASP 71 3.916 7.363 -4.035 577 HA ASP 71 HA ASP 71 2.904 10.098 -3.927 578 HB2 ASP 71 HB2 ASP 71 2.133 7.707 -5.422 579 HB3 ASP 71 HB3 ASP 71 0.758 8.586 -4.772 580 H THR 72 H THR 72 0.644 10.358 -3.064 581 HA THR 72 HA THR 72 0.475 8.968 -0.474 582 HB THR 72 HB THR 72 -0.600 11.108 0.334 583 HG1 THR 72 HG1 THR 72 0.237 12.928 -1.186 584 HG21 THR 72 HG21 THR 72 2.243 11.289 -0.685 585 HG22 THR 72 HG22 THR 72 1.727 10.623 0.869 586 HG23 THR 72 HG23 THR 72 1.530 12.343 0.539 587 HA PRO 73 HA PRO 73 -3.739 7.878 -1.448 588 HB2 PRO 73 HB2 PRO 73 -4.974 8.241 0.968 589 HB3 PRO 73 HB3 PRO 73 -3.949 6.851 0.597 590 HG2 PRO 73 HG2 PRO 73 -3.280 9.354 2.091 591 HG3 PRO 73 HG3 PRO 73 -2.837 7.676 2.456 592 HD2 PRO 73 HD2 PRO 73 -1.110 9.390 1.319 593 HD3 PRO 73 HD3 PRO 73 -1.116 7.663 0.923 594 H ALA 74 H ALA 74 -2.832 10.992 -0.564 595 HA ALA 74 HA ALA 74 -5.512 12.131 -0.845 596 HB1 ALA 74 HB1 ALA 74 -4.062 12.975 0.943 597 HB2 ALA 74 HB2 ALA 74 -4.480 14.238 -0.214 598 HB3 ALA 74 HB3 ALA 74 -2.887 13.490 -0.262 599 H GLN 75 H GLN 75 -2.813 11.354 -2.715 600 HA GLN 75 HA GLN 75 -2.820 13.492 -4.572 601 HB2 GLN 75 HB2 GLN 75 -1.077 11.587 -4.126 602 HB3 GLN 75 HB3 GLN 75 -2.019 10.711 -5.325 603 HG2 GLN 75 HG2 GLN 75 -0.272 11.714 -6.502 604 HG3 GLN 75 HG3 GLN 75 -1.693 12.708 -6.833 605 HE21 GLN 75 HE21 GLN 75 1.337 12.504 -5.214 606 HE22 GLN 75 HE22 GLN 75 1.482 14.181 -4.800 607 H LEU 76 H LEU 76 -4.541 10.462 -4.342 608 HA LEU 76 HA LEU 76 -5.944 11.102 -6.830 609 HB2 LEU 76 HB2 LEU 76 -6.595 8.584 -6.727 610 HB3 LEU 76 HB3 LEU 76 -5.021 9.051 -7.317 611 HG LEU 76 HG LEU 76 -5.097 7.005 -5.830 612 HD11 LEU 76 HD11 LEU 76 -3.016 8.209 -6.270 613 HD12 LEU 76 HD12 LEU 76 -3.054 7.507 -4.652 614 HD13 LEU 76 HD13 LEU 76 -3.322 9.234 -4.866 615 HD21 LEU 76 HD21 LEU 76 -6.645 7.641 -4.149 616 HD22 LEU 76 HD22 LEU 76 -5.711 9.079 -3.750 617 HD23 LEU 76 HD23 LEU 76 -5.070 7.485 -3.366 618 H GLU 77 H GLU 77 -6.326 11.438 -3.668 619 HA GLU 77 HA GLU 77 -8.025 11.631 -2.200 620 HB2 GLU 77 HB2 GLU 77 -9.383 12.310 -4.791 621 HB3 GLU 77 HB3 GLU 77 -10.216 12.421 -3.247 622 HG2 GLU 77 HG2 GLU 77 -7.662 13.857 -3.908 623 HG3 GLU 77 HG3 GLU 77 -9.271 14.564 -4.036 624 H MET 78 H MET 78 -7.627 9.111 -2.208 625 HA MET 78 HA MET 78 -9.877 7.563 -3.038 626 HB2 MET 78 HB2 MET 78 -8.844 5.769 -1.603 627 HB3 MET 78 HB3 MET 78 -7.821 6.396 -2.886 628 HG2 MET 78 HG2 MET 78 -6.614 7.759 -1.293 629 HG3 MET 78 HG3 MET 78 -7.692 7.211 -0.008 630 HE1 MET 78 HE1 MET 78 -5.172 4.052 -2.223 631 HE2 MET 78 HE2 MET 78 -5.333 5.688 -2.856 632 HE3 MET 78 HE3 MET 78 -6.750 4.648 -2.736 633 H GLU 79 H GLU 79 -11.136 6.257 -1.477 634 HA GLU 79 HA GLU 79 -12.347 8.086 0.426 635 HB2 GLU 79 HB2 GLU 79 -13.166 5.365 -0.578 636 HB3 GLU 79 HB3 GLU 79 -14.088 6.306 0.582 637 HG2 GLU 79 HG2 GLU 79 -13.422 7.179 -2.211 638 HG3 GLU 79 HG3 GLU 79 -14.952 6.464 -1.703 639 H ASP 80 H ASP 80 -12.941 7.394 2.585 640 HA ASP 80 HA ASP 80 -10.852 6.065 3.968 641 HB2 ASP 80 HB2 ASP 80 -12.252 7.777 5.068 642 HB3 ASP 80 HB3 ASP 80 -13.642 6.699 4.890 643 H GLU 81 H GLU 81 -10.616 4.068 4.422 644 HA GLU 81 HA GLU 81 -10.911 1.901 4.753 645 HB2 GLU 81 HB2 GLU 81 -13.882 2.275 4.439 646 HB3 GLU 81 HB3 GLU 81 -13.053 0.933 5.216 647 HG2 GLU 81 HG2 GLU 81 -12.125 2.787 6.793 648 HG3 GLU 81 HG3 GLU 81 -13.448 3.725 6.175 649 H ASP 82 H ASP 82 -10.846 3.276 2.046 650 HA ASP 82 HA ASP 82 -12.199 1.532 0.237 651 HB2 ASP 82 HB2 ASP 82 -11.010 3.946 -0.066 652 HB3 ASP 82 HB3 ASP 82 -9.741 2.895 -0.680 653 H THR 83 H THR 83 -10.570 0.470 -1.559 654 HA THR 83 HA THR 83 -8.570 -1.050 -0.045 655 HB THR 83 HB THR 83 -10.399 -2.466 -1.963 656 HG1 THR 83 HG1 THR 83 -10.948 -1.493 0.566 657 HG21 THR 83 HG21 THR 83 -8.309 -3.571 -1.242 658 HG22 THR 83 HG22 THR 83 -9.734 -4.417 -0.634 659 HG23 THR 83 HG23 THR 83 -8.806 -3.372 0.440 660 H ILE 84 H ILE 84 -6.928 -2.022 -1.289 661 HA ILE 84 HA ILE 84 -6.601 -0.937 -4.005 662 HB ILE 84 HB ILE 84 -4.506 -1.288 -1.825 663 HG12 ILE 84 HG12 ILE 84 -4.014 1.147 -2.468 664 HG13 ILE 84 HG13 ILE 84 -5.552 1.112 -3.316 665 HG21 ILE 84 HG21 ILE 84 -3.526 -2.114 -3.859 666 HG22 ILE 84 HG22 ILE 84 -2.827 -0.541 -3.467 667 HG23 ILE 84 HG23 ILE 84 -4.045 -0.671 -4.733 668 HD11 ILE 84 HD11 ILE 84 -5.140 0.639 -0.381 669 HD12 ILE 84 HD12 ILE 84 -6.685 0.582 -1.232 670 HD13 ILE 84 HD13 ILE 84 -5.789 2.100 -1.129 671 H ASP 85 H ASP 85 -5.554 -2.371 -5.499 672 HA ASP 85 HA ASP 85 -5.887 -5.190 -4.755 673 HB2 ASP 85 HB2 ASP 85 -6.860 -3.959 -6.881 674 HB3 ASP 85 HB3 ASP 85 -5.234 -4.274 -7.493 675 H VAL 86 H VAL 86 -4.173 -6.457 -4.459 676 HA VAL 86 HA VAL 86 -1.579 -5.494 -5.397 677 HB VAL 86 HB VAL 86 -2.385 -6.882 -2.873 678 HG11 VAL 86 HG11 VAL 86 0.372 -7.115 -4.099 679 HG12 VAL 86 HG12 VAL 86 -0.768 -8.444 -3.879 680 HG13 VAL 86 HG13 VAL 86 -0.084 -7.626 -2.474 681 HG21 VAL 86 HG21 VAL 86 -1.964 -4.488 -2.940 682 HG22 VAL 86 HG22 VAL 86 -0.332 -4.792 -3.541 683 HG23 VAL 86 HG23 VAL 86 -0.793 -5.326 -1.924 684 H PHE 87 H PHE 87 -0.370 -6.739 -6.589 685 HA PHE 87 HA PHE 87 -1.143 -9.515 -7.007 686 HB2 PHE 87 HB2 PHE 87 -0.693 -9.128 -9.507 687 HB3 PHE 87 HB3 PHE 87 -2.237 -8.578 -8.853 688 HD1 PHE 87 HD1 PHE 87 -2.338 -6.086 -8.139 689 HD2 PHE 87 HD2 PHE 87 0.596 -7.683 -10.769 690 HE1 PHE 87 HE1 PHE 87 -1.926 -3.845 -9.016 691 HE2 PHE 87 HE2 PHE 87 1.011 -5.433 -11.668 692 HZ PHE 87 HZ PHE 87 -0.253 -3.507 -10.796 693 H GLN 88 H GLN 88 0.542 -10.850 -7.632 694 HA GLN 88 HA GLN 88 3.173 -9.622 -7.162 695 HB2 GLN 88 HB2 GLN 88 2.760 -12.554 -6.823 696 HB3 GLN 88 HB3 GLN 88 3.855 -11.474 -5.976 697 HG2 GLN 88 HG2 GLN 88 1.643 -10.486 -4.976 698 HG3 GLN 88 HG3 GLN 88 0.968 -12.025 -5.480 699 HE21 GLN 88 HE21 GLN 88 4.229 -11.480 -4.273 700 HE22 GLN 88 HE22 GLN 88 4.040 -12.437 -2.845 701 H GLN 89 H GLN 89 4.184 -9.359 -9.006 702 HA GLN 89 HA GLN 89 3.666 -10.989 -11.286 703 HB2 GLN 89 HB2 GLN 89 5.738 -8.846 -10.834 704 HB3 GLN 89 HB3 GLN 89 5.419 -9.626 -12.378 705 HG2 GLN 89 HG2 GLN 89 3.173 -8.749 -12.408 706 HG3 GLN 89 HG3 GLN 89 3.391 -8.053 -10.805 707 HE21 GLN 89 HE21 GLN 89 2.910 -5.997 -11.590 708 HE22 GLN 89 HE22 GLN 89 4.037 -5.090 -12.534 709 H GLN 90 H GLN 90 4.178 -12.995 -10.350 710 HA GLN 90 HA GLN 90 6.714 -13.838 -9.547 711 HB2 GLN 90 HB2 GLN 90 5.917 -16.099 -9.872 712 HB3 GLN 90 HB3 GLN 90 4.631 -15.127 -9.187 713 HG2 GLN 90 HG2 GLN 90 4.855 -15.858 -12.109 714 HG3 GLN 90 HG3 GLN 90 3.873 -16.721 -10.931 715 HE21 GLN 90 HE21 GLN 90 2.024 -15.695 -10.093 716 HE22 GLN 90 HE22 GLN 90 1.286 -14.356 -10.905 717 H THR 91 H THR 91 7.951 -15.648 -10.837 718 HA THR 91 HA THR 91 8.113 -15.244 -13.659 719 HB THR 91 HB THR 91 9.315 -13.214 -12.845 720 HG1 THR 91 HG1 THR 91 11.479 -14.444 -13.872 721 HG21 THR 91 HG21 THR 91 10.213 -14.129 -10.750 722 HG22 THR 91 HG22 THR 91 11.503 -13.470 -11.754 723 HG23 THR 91 HG23 THR 91 11.258 -15.214 -11.666 724 H GLY 92 H GLY 92 9.766 -16.642 -14.632 725 HA2 GLY 92 HA2 GLY 92 10.780 -18.694 -14.839 726 HA3 GLY 92 HA3 GLY 92 11.255 -18.519 -13.155 727 H GLY 93 H GLY 93 8.168 -18.980 -14.881 728 HA2 GLY 93 HA2 GLY 93 6.806 -20.877 -14.750 729 HA3 GLY 93 HA3 GLY 93 7.728 -21.419 -13.354 Start of MODEL 4 1 H MET 1 H MET 1 4.506 2.434 26.464 2 HA MET 1 HA MET 1 2.583 1.043 26.342 3 HB2 MET 1 HB2 MET 1 2.049 3.929 25.601 4 HB3 MET 1 HB3 MET 1 0.825 2.823 26.211 5 HG2 MET 1 HG2 MET 1 2.062 2.590 28.295 6 HG3 MET 1 HG3 MET 1 3.307 3.679 27.684 7 HE1 MET 1 HE1 MET 1 1.763 4.056 30.473 8 HE2 MET 1 HE2 MET 1 1.496 5.799 30.452 9 HE3 MET 1 HE3 MET 1 3.034 5.135 29.901 10 H ALA 2 H ALA 2 2.636 -0.429 24.650 11 HA ALA 2 HA ALA 2 0.868 0.281 22.445 12 HB1 ALA 2 HB1 ALA 2 3.553 -1.043 22.043 13 HB2 ALA 2 HB2 ALA 2 3.125 0.593 21.542 14 HB3 ALA 2 HB3 ALA 2 2.332 -0.795 20.794 15 H ASP 3 H ASP 3 -0.754 -1.049 22.986 16 HA ASP 3 HA ASP 3 -0.100 -3.846 23.628 17 HB2 ASP 3 HB2 ASP 3 -2.174 -3.947 24.876 18 HB3 ASP 3 HB3 ASP 3 -1.225 -2.577 25.445 19 H GLU 4 H GLU 4 -0.905 -2.204 21.019 20 HA GLU 4 HA GLU 4 -3.077 -3.739 20.174 21 HB2 GLU 4 HB2 GLU 4 -1.192 -1.848 18.775 22 HB3 GLU 4 HB3 GLU 4 -2.505 -2.680 17.964 23 HG2 GLU 4 HG2 GLU 4 -3.977 -1.589 19.802 24 HG3 GLU 4 HG3 GLU 4 -2.611 -0.488 19.973 25 H LYS 5 H LYS 5 -2.753 -4.726 18.084 26 HA LYS 5 HA LYS 5 -0.980 -6.917 18.369 27 HB2 LYS 5 HB2 LYS 5 -3.224 -7.058 17.517 28 HB3 LYS 5 HB3 LYS 5 -2.760 -6.115 16.118 29 HG2 LYS 5 HG2 LYS 5 -2.887 -8.486 15.519 30 HG3 LYS 5 HG3 LYS 5 -1.224 -7.918 15.407 31 HD2 LYS 5 HD2 LYS 5 -2.069 -9.112 17.990 32 HD3 LYS 5 HD3 LYS 5 -1.907 -10.208 16.619 33 HE2 LYS 5 HE2 LYS 5 0.387 -9.399 16.263 34 HE3 LYS 5 HE3 LYS 5 0.223 -8.337 17.657 35 HZ1 LYS 5 HZ1 LYS 5 1.391 -10.381 18.192 36 HZ2 LYS 5 HZ2 LYS 5 0.052 -11.299 17.731 37 HZ3 LYS 5 HZ3 LYS 5 -0.052 -10.264 19.065 38 HA PRO 6 HA PRO 6 1.290 -4.887 14.497 39 HB2 PRO 6 HB2 PRO 6 0.949 -2.146 14.403 40 HB3 PRO 6 HB3 PRO 6 0.099 -3.287 13.358 41 HG2 PRO 6 HG2 PRO 6 -0.829 -1.970 15.880 42 HG3 PRO 6 HG3 PRO 6 -1.721 -2.258 14.373 43 HD2 PRO 6 HD2 PRO 6 -2.094 -3.814 16.511 44 HD3 PRO 6 HD3 PRO 6 -2.085 -4.496 14.874 45 H LYS 7 H LYS 7 3.412 -4.217 14.837 46 HA LYS 7 HA LYS 7 4.392 -3.897 17.380 47 HB2 LYS 7 HB2 LYS 7 5.723 -4.679 15.537 48 HB3 LYS 7 HB3 LYS 7 5.534 -3.144 14.706 49 HG2 LYS 7 HG2 LYS 7 6.795 -2.050 16.509 50 HG3 LYS 7 HG3 LYS 7 7.037 -3.631 17.258 51 HD2 LYS 7 HD2 LYS 7 8.980 -2.891 15.891 52 HD3 LYS 7 HD3 LYS 7 8.275 -4.407 15.330 53 HE2 LYS 7 HE2 LYS 7 8.809 -2.909 13.462 54 HE3 LYS 7 HE3 LYS 7 7.078 -3.214 13.574 55 HZ1 LYS 7 HZ1 LYS 7 7.249 -0.928 13.225 56 HZ2 LYS 7 HZ2 LYS 7 8.559 -0.762 14.282 57 HZ3 LYS 7 HZ3 LYS 7 7.019 -1.050 14.895 58 H GLU 8 H GLU 8 3.548 -1.427 14.995 59 HA GLU 8 HA GLU 8 4.186 0.631 16.982 60 HB2 GLU 8 HB2 GLU 8 3.885 2.231 15.000 61 HB3 GLU 8 HB3 GLU 8 5.304 1.201 14.993 62 HG2 GLU 8 HG2 GLU 8 2.814 0.423 13.511 63 HG3 GLU 8 HG3 GLU 8 4.001 1.520 12.806 64 H GLY 9 H GLY 9 2.535 2.700 16.108 65 HA2 GLY 9 HA2 GLY 9 -0.087 2.256 15.732 66 HA3 GLY 9 HA3 GLY 9 0.143 1.936 17.450 67 H VAL 10 H VAL 10 -0.873 3.695 18.272 68 HA VAL 10 HA VAL 10 0.587 6.148 18.183 69 HB VAL 10 HB VAL 10 -0.801 6.368 16.153 70 HG11 VAL 10 HG11 VAL 10 -3.230 6.638 16.322 71 HG12 VAL 10 HG12 VAL 10 -3.151 6.192 18.028 72 HG13 VAL 10 HG13 VAL 10 -2.705 5.018 16.790 73 HG21 VAL 10 HG21 VAL 10 -1.569 8.239 18.388 74 HG22 VAL 10 HG22 VAL 10 -1.764 8.572 16.667 75 HG23 VAL 10 HG23 VAL 10 -0.150 8.371 17.348 76 H LYS 11 H LYS 11 0.361 7.256 20.083 77 HA LYS 11 HA LYS 11 -1.928 6.557 21.777 78 HB2 LYS 11 HB2 LYS 11 0.527 5.581 22.295 79 HB3 LYS 11 HB3 LYS 11 0.676 7.139 23.091 80 HG2 LYS 11 HG2 LYS 11 -1.500 5.134 23.647 81 HG3 LYS 11 HG3 LYS 11 -0.033 5.322 24.607 82 HD2 LYS 11 HD2 LYS 11 -0.686 7.514 25.281 83 HD3 LYS 11 HD3 LYS 11 -2.023 7.530 24.129 84 HE2 LYS 11 HE2 LYS 11 -1.765 5.678 26.496 85 HE3 LYS 11 HE3 LYS 11 -2.784 7.113 26.430 86 HZ1 LYS 11 HZ1 LYS 11 -3.057 4.701 24.706 87 HZ2 LYS 11 HZ2 LYS 11 -4.020 6.086 24.602 88 HZ3 LYS 11 HZ3 LYS 11 -4.069 5.131 25.991 89 H THR 12 H THR 12 -2.902 8.228 22.695 90 HA THR 12 HA THR 12 -3.513 10.298 23.248 91 HB THR 12 HB THR 12 -0.560 10.909 23.259 92 HG1 THR 12 HG1 THR 12 -0.564 9.822 25.051 93 HG21 THR 12 HG21 THR 12 -2.881 12.344 24.558 94 HG22 THR 12 HG22 THR 12 -1.930 12.944 23.200 95 HG23 THR 12 HG23 THR 12 -1.178 12.743 24.783 96 H GLU 13 H GLU 13 -0.755 10.918 21.162 97 HA GLU 13 HA GLU 13 -1.588 13.167 19.882 98 HB2 GLU 13 HB2 GLU 13 0.084 10.939 18.768 99 HB3 GLU 13 HB3 GLU 13 -0.103 12.508 17.996 100 HG2 GLU 13 HG2 GLU 13 1.026 12.015 20.740 101 HG3 GLU 13 HG3 GLU 13 1.950 12.396 19.285 102 H ASN 14 H ASN 14 -3.610 13.271 19.387 103 HA ASN 14 HA ASN 14 -4.947 11.452 17.623 104 HB2 ASN 14 HB2 ASN 14 -6.805 13.048 17.566 105 HB3 ASN 14 HB3 ASN 14 -6.263 12.750 19.209 106 HD21 ASN 14 HD21 ASN 14 -6.640 15.069 16.695 107 HD22 ASN 14 HD22 ASN 14 -6.173 16.462 17.602 108 H ASN 15 H ASN 15 -4.717 11.289 15.555 109 HA ASN 15 HA ASN 15 -3.732 13.638 14.085 110 HB2 ASN 15 HB2 ASN 15 -2.983 10.744 13.641 111 HB3 ASN 15 HB3 ASN 15 -2.555 12.055 12.554 112 HD21 ASN 15 HD21 ASN 15 -2.117 13.887 14.877 113 HD22 ASN 15 HD22 ASN 15 -0.586 13.417 15.524 114 H ASP 16 H ASP 16 -4.543 14.033 12.204 115 HA ASP 16 HA ASP 16 -7.072 12.733 11.527 116 HB2 ASP 16 HB2 ASP 16 -5.794 15.263 10.567 117 HB3 ASP 16 HB3 ASP 16 -7.097 14.508 9.645 118 H HIS 17 H HIS 17 -7.170 11.059 10.199 119 HA HIS 17 HA HIS 17 -5.593 10.927 7.850 120 HB2 HIS 17 HB2 HIS 17 -4.442 8.855 8.477 121 HB3 HIS 17 HB3 HIS 17 -3.960 10.163 9.551 122 HD1 HIS 17 HD1 HIS 17 -5.421 10.123 11.946 123 HD2 HIS 17 HD2 HIS 17 -5.150 6.615 9.753 124 HE1 HIS 17 HE1 HIS 17 -6.005 8.302 13.539 125 HE2 HIS 17 HE2 HIS 17 -6.250 6.292 12.072 126 H ILE 18 H ILE 18 -5.995 8.471 7.066 127 HA ILE 18 HA ILE 18 -8.743 7.738 7.789 128 HB ILE 18 HB ILE 18 -9.231 7.127 5.460 129 HG12 ILE 18 HG12 ILE 18 -6.764 8.726 4.716 130 HG13 ILE 18 HG13 ILE 18 -6.826 6.965 4.724 131 HG21 ILE 18 HG21 ILE 18 -8.574 10.033 5.923 132 HG22 ILE 18 HG22 ILE 18 -10.080 9.210 6.330 133 HG23 ILE 18 HG23 ILE 18 -9.623 9.427 4.640 134 HD11 ILE 18 HD11 ILE 18 -8.573 7.035 3.013 135 HD12 ILE 18 HD12 ILE 18 -7.101 7.847 2.484 136 HD13 ILE 18 HD13 ILE 18 -8.491 8.798 3.009 137 H ASN 19 H ASN 19 -9.303 5.540 6.887 138 HA ASN 19 HA ASN 19 -7.071 3.740 7.474 139 HB2 ASN 19 HB2 ASN 19 -10.024 3.101 7.286 140 HB3 ASN 19 HB3 ASN 19 -8.754 2.046 7.900 141 HD21 ASN 19 HD21 ASN 19 -10.774 4.780 8.539 142 HD22 ASN 19 HD22 ASN 19 -10.411 4.919 10.213 143 H LEU 20 H LEU 20 -6.506 2.153 6.039 144 HA LEU 20 HA LEU 20 -7.932 2.077 3.454 145 HB2 LEU 20 HB2 LEU 20 -5.115 2.723 3.962 146 HB3 LEU 20 HB3 LEU 20 -5.355 1.502 2.730 147 HG LEU 20 HG LEU 20 -5.213 3.563 1.588 148 HD11 LEU 20 HD11 LEU 20 -7.062 2.075 0.876 149 HD12 LEU 20 HD12 LEU 20 -7.307 3.773 0.483 150 HD13 LEU 20 HD13 LEU 20 -8.169 3.056 1.840 151 HD21 LEU 20 HD21 LEU 20 -5.508 5.067 3.458 152 HD22 LEU 20 HD22 LEU 20 -7.220 4.659 3.543 153 HD23 LEU 20 HD23 LEU 20 -6.586 5.515 2.137 154 H LYS 21 H LYS 21 -7.510 0.141 2.204 155 HA LYS 21 HA LYS 21 -6.694 -2.165 3.821 156 HB2 LYS 21 HB2 LYS 21 -9.123 -1.913 2.080 157 HB3 LYS 21 HB3 LYS 21 -8.533 -3.433 2.724 158 HG2 LYS 21 HG2 LYS 21 -8.993 -2.773 4.935 159 HG3 LYS 21 HG3 LYS 21 -9.310 -1.109 4.438 160 HD2 LYS 21 HD2 LYS 21 -11.405 -2.296 4.871 161 HD3 LYS 21 HD3 LYS 21 -11.259 -1.861 3.168 162 HE2 LYS 21 HE2 LYS 21 -10.466 -4.145 2.686 163 HE3 LYS 21 HE3 LYS 21 -10.713 -4.568 4.382 164 HZ1 LYS 21 HZ1 LYS 21 -12.857 -3.592 2.569 165 HZ2 LYS 21 HZ2 LYS 21 -13.055 -4.202 4.132 166 HZ3 LYS 21 HZ3 LYS 21 -12.553 -5.224 2.880 167 H VAL 22 H VAL 22 -5.779 -3.819 2.657 168 HA VAL 22 HA VAL 22 -5.370 -3.316 -0.208 169 HB VAL 22 HB VAL 22 -3.240 -4.229 1.744 170 HG11 VAL 22 HG11 VAL 22 -3.120 -4.002 -1.249 171 HG12 VAL 22 HG12 VAL 22 -3.135 -5.503 -0.322 172 HG13 VAL 22 HG13 VAL 22 -1.773 -4.389 -0.177 173 HG21 VAL 22 HG21 VAL 22 -2.076 -2.232 1.135 174 HG22 VAL 22 HG22 VAL 22 -3.723 -1.762 1.561 175 HG23 VAL 22 HG23 VAL 22 -3.246 -1.871 -0.129 176 H ALA 23 H ALA 23 -6.162 -4.881 -1.343 177 HA ALA 23 HA ALA 23 -6.667 -7.481 -0.136 178 HB1 ALA 23 HB1 ALA 23 -7.988 -7.916 -2.140 179 HB2 ALA 23 HB2 ALA 23 -7.446 -6.389 -2.839 180 HB3 ALA 23 HB3 ALA 23 -8.463 -6.386 -1.400 181 H GLY 24 H GLY 24 -5.421 -9.143 -0.461 182 HA2 GLY 24 HA2 GLY 24 -3.184 -8.855 -2.289 183 HA3 GLY 24 HA3 GLY 24 -3.367 -10.100 -1.059 184 H GLN 25 H GLN 25 -2.631 -10.627 -3.715 185 HA GLN 25 HA GLN 25 -4.792 -11.451 -5.320 186 HB2 GLN 25 HB2 GLN 25 -3.081 -12.847 -6.522 187 HB3 GLN 25 HB3 GLN 25 -2.676 -11.144 -6.363 188 HG2 GLN 25 HG2 GLN 25 -0.690 -12.245 -5.929 189 HG3 GLN 25 HG3 GLN 25 -1.301 -11.846 -4.326 190 HE21 GLN 25 HE21 GLN 25 -0.278 -13.455 -3.233 191 HE22 GLN 25 HE22 GLN 25 -0.603 -15.139 -3.454 192 H ASP 26 H ASP 26 -3.560 -12.745 -2.474 193 HA ASP 26 HA ASP 26 -4.256 -15.482 -2.820 194 HB2 ASP 26 HB2 ASP 26 -2.668 -14.857 -1.098 195 HB3 ASP 26 HB3 ASP 26 -3.847 -13.797 -0.334 196 H GLY 27 H GLY 27 -6.079 -12.614 -2.308 197 HA2 GLY 27 HA2 GLY 27 -8.437 -12.608 -2.495 198 HA3 GLY 27 HA3 GLY 27 -8.471 -14.241 -1.846 199 H SER 28 H SER 28 -6.368 -12.412 -0.093 200 HA SER 28 HA SER 28 -8.389 -11.983 1.989 201 HB2 SER 28 HB2 SER 28 -6.502 -13.564 2.494 202 HB3 SER 28 HB3 SER 28 -5.392 -12.204 2.349 203 HG SER 28 HG SER 28 -5.828 -12.179 4.461 204 H VAL 29 H VAL 29 -7.924 -10.107 3.422 205 HA VAL 29 HA VAL 29 -6.587 -7.962 1.987 206 HB VAL 29 HB VAL 29 -9.002 -7.928 1.388 207 HG11 VAL 29 HG11 VAL 29 -9.962 -8.743 3.473 208 HG12 VAL 29 HG12 VAL 29 -10.648 -7.171 3.060 209 HG13 VAL 29 HG13 VAL 29 -9.418 -7.289 4.313 210 HG21 VAL 29 HG21 VAL 29 -7.668 -5.887 1.302 211 HG22 VAL 29 HG22 VAL 29 -8.060 -5.550 2.987 212 HG23 VAL 29 HG23 VAL 29 -9.332 -5.535 1.765 213 H VAL 30 H VAL 30 -5.699 -6.383 3.327 214 HA VAL 30 HA VAL 30 -5.981 -6.930 6.190 215 HB VAL 30 HB VAL 30 -3.679 -7.230 5.099 216 HG11 VAL 30 HG11 VAL 30 -3.736 -5.270 3.662 217 HG12 VAL 30 HG12 VAL 30 -2.338 -5.261 4.735 218 HG13 VAL 30 HG13 VAL 30 -3.722 -4.227 5.084 219 HG21 VAL 30 HG21 VAL 30 -3.850 -5.258 7.364 220 HG22 VAL 30 HG22 VAL 30 -2.542 -6.396 7.022 221 HG23 VAL 30 HG23 VAL 30 -4.116 -6.993 7.524 222 H GLN 31 H GLN 31 -6.306 -5.175 7.625 223 HA GLN 31 HA GLN 31 -7.080 -2.680 6.308 224 HB2 GLN 31 HB2 GLN 31 -8.017 -3.593 9.002 225 HB3 GLN 31 HB3 GLN 31 -8.758 -2.416 7.923 226 HG2 GLN 31 HG2 GLN 31 -9.181 -4.282 6.312 227 HG3 GLN 31 HG3 GLN 31 -8.653 -5.397 7.567 228 HE21 GLN 31 HE21 GLN 31 -11.091 -3.220 6.520 229 HE22 GLN 31 HE22 GLN 31 -12.293 -3.723 7.642 230 H PHE 32 H PHE 32 -6.103 -0.907 6.903 231 HA PHE 32 HA PHE 32 -4.565 -0.688 9.374 232 HB2 PHE 32 HB2 PHE 32 -2.488 -0.060 8.181 233 HB3 PHE 32 HB3 PHE 32 -2.935 -1.748 7.941 234 HD1 PHE 32 HD1 PHE 32 -4.291 -2.270 5.797 235 HD2 PHE 32 HD2 PHE 32 -2.004 1.269 6.349 236 HE1 PHE 32 HE1 PHE 32 -4.250 -1.933 3.380 237 HE2 PHE 32 HE2 PHE 32 -1.948 1.615 3.945 238 HZ PHE 32 HZ PHE 32 -3.068 0.018 2.439 239 H LYS 33 H LYS 33 -3.446 1.505 9.466 240 HA LYS 33 HA LYS 33 -5.310 3.495 8.363 241 HB2 LYS 33 HB2 LYS 33 -3.633 3.826 10.836 242 HB3 LYS 33 HB3 LYS 33 -5.018 4.783 10.333 243 HG2 LYS 33 HG2 LYS 33 -6.413 2.708 10.602 244 HG3 LYS 33 HG3 LYS 33 -5.004 1.964 11.340 245 HD2 LYS 33 HD2 LYS 33 -6.269 4.509 12.339 246 HD3 LYS 33 HD3 LYS 33 -6.614 2.909 12.995 247 HE2 LYS 33 HE2 LYS 33 -3.864 4.129 12.869 248 HE3 LYS 33 HE3 LYS 33 -4.918 4.236 14.277 249 HZ1 LYS 33 HZ1 LYS 33 -4.902 1.830 14.431 250 HZ2 LYS 33 HZ2 LYS 33 -3.329 2.413 14.485 251 HZ3 LYS 33 HZ3 LYS 33 -3.916 1.704 13.070 252 H ILE 34 H ILE 34 -4.505 5.365 7.415 253 HA ILE 34 HA ILE 34 -1.660 5.926 7.523 254 HB ILE 34 HB ILE 34 -1.765 4.389 5.619 255 HG12 ILE 34 HG12 ILE 34 -1.479 7.222 4.594 256 HG13 ILE 34 HG13 ILE 34 -0.253 6.395 5.543 257 HG21 ILE 34 HG21 ILE 34 -4.095 4.635 5.031 258 HG22 ILE 34 HG22 ILE 34 -3.081 4.931 3.617 259 HG23 ILE 34 HG23 ILE 34 -3.807 6.287 4.484 260 HD11 ILE 34 HD11 ILE 34 0.222 6.380 3.139 261 HD12 ILE 34 HD12 ILE 34 -1.271 5.476 2.863 262 HD13 ILE 34 HD13 ILE 34 0.040 4.759 3.803 263 H LYS 35 H LYS 35 -1.154 8.099 6.896 264 HA LYS 35 HA LYS 35 -3.432 9.873 7.186 265 HB2 LYS 35 HB2 LYS 35 -0.566 10.701 6.895 266 HB3 LYS 35 HB3 LYS 35 -1.884 11.592 7.650 267 HG2 LYS 35 HG2 LYS 35 -1.955 9.585 9.293 268 HG3 LYS 35 HG3 LYS 35 -0.338 9.271 8.673 269 HD2 LYS 35 HD2 LYS 35 -1.196 11.903 9.863 270 HD3 LYS 35 HD3 LYS 35 -0.317 10.649 10.737 271 HE2 LYS 35 HE2 LYS 35 1.521 10.820 9.134 272 HE3 LYS 35 HE3 LYS 35 0.636 12.057 8.247 273 HZ1 LYS 35 HZ1 LYS 35 2.297 13.007 9.717 274 HZ2 LYS 35 HZ2 LYS 35 1.552 12.292 11.057 275 HZ3 LYS 35 HZ3 LYS 35 0.741 13.478 10.168 276 H ARG 36 H ARG 36 -3.705 11.740 5.806 277 HA ARG 36 HA ARG 36 -3.862 11.006 3.106 278 HB2 ARG 36 HB2 ARG 36 -3.957 13.852 4.081 279 HB3 ARG 36 HB3 ARG 36 -4.806 13.141 2.723 280 HG2 ARG 36 HG2 ARG 36 -5.389 12.798 5.653 281 HG3 ARG 36 HG3 ARG 36 -6.405 13.537 4.419 282 HD2 ARG 36 HD2 ARG 36 -5.676 10.621 4.667 283 HD3 ARG 36 HD3 ARG 36 -7.252 11.343 4.968 284 HE ARG 36 HE ARG 36 -5.991 10.924 2.362 285 HH11 ARG 36 HH11 ARG 36 -8.781 11.942 4.222 286 HH12 ARG 36 HH12 ARG 36 -9.871 11.833 2.884 287 HH21 ARG 36 HH21 ARG 36 -7.448 10.791 0.576 288 HH22 ARG 36 HH22 ARG 36 -9.112 11.184 0.818 289 H HIS 37 H HIS 37 -1.599 13.028 4.881 290 HA HIS 37 HA HIS 37 -0.105 13.677 2.465 291 HB2 HIS 37 HB2 HIS 37 0.094 14.550 5.333 292 HB3 HIS 37 HB3 HIS 37 1.365 14.922 4.176 293 HD1 HIS 37 HD1 HIS 37 1.120 17.209 3.286 294 HD2 HIS 37 HD2 HIS 37 -2.573 15.494 4.090 295 HE1 HIS 37 HE1 HIS 37 -0.573 18.951 2.681 296 HE2 HIS 37 HE2 HIS 37 -2.785 17.791 2.926 297 H THR 38 H THR 38 -0.259 11.021 4.158 298 HA THR 38 HA THR 38 2.579 10.617 4.531 299 HB THR 38 HB THR 38 0.154 9.024 5.367 300 HG1 THR 38 HG1 THR 38 1.965 10.740 6.517 301 HG21 THR 38 HG21 THR 38 3.063 8.229 5.631 302 HG22 THR 38 HG22 THR 38 1.885 7.452 4.574 303 HG23 THR 38 HG23 THR 38 1.685 7.372 6.329 304 HA PRO 39 HA PRO 39 2.960 8.794 0.521 305 HB2 PRO 39 HB2 PRO 39 5.328 7.512 0.952 306 HB3 PRO 39 HB3 PRO 39 5.200 9.244 0.615 307 HG2 PRO 39 HG2 PRO 39 5.523 7.831 3.230 308 HG3 PRO 39 HG3 PRO 39 6.300 9.316 2.654 309 HD2 PRO 39 HD2 PRO 39 4.230 9.356 4.365 310 HD3 PRO 39 HD3 PRO 39 4.453 10.617 3.140 311 H LEU 40 H LEU 40 2.685 6.847 -0.508 312 HA LEU 40 HA LEU 40 1.448 4.759 0.892 313 HB2 LEU 40 HB2 LEU 40 2.543 4.926 -1.904 314 HB3 LEU 40 HB3 LEU 40 1.627 3.556 -1.311 315 HG LEU 40 HG LEU 40 0.569 6.367 -1.394 316 HD11 LEU 40 HD11 LEU 40 0.185 4.129 -3.364 317 HD12 LEU 40 HD12 LEU 40 1.053 5.637 -3.649 318 HD13 LEU 40 HD13 LEU 40 -0.689 5.660 -3.372 319 HD21 LEU 40 HD21 LEU 40 -1.601 5.286 -1.147 320 HD22 LEU 40 HD22 LEU 40 -0.537 4.928 0.212 321 HD23 LEU 40 HD23 LEU 40 -0.799 3.719 -1.048 322 H SER 41 H SER 41 4.741 5.447 0.537 323 HA SER 41 HA SER 41 5.966 2.983 0.285 324 HB2 SER 41 HB2 SER 41 7.810 4.015 1.703 325 HB3 SER 41 HB3 SER 41 7.324 4.953 0.290 326 HG SER 41 HG SER 41 6.918 5.463 3.010 327 HH31 ALY 42 HH31 ALY 42 0.891 0.934 9.540 328 HH32 ALY 42 HH32 ALY 42 -0.770 1.550 9.476 329 HH33 ALY 42 HH33 ALY 42 0.155 1.597 10.994 330 HZ ALY 42 HZ ALY 42 0.070 3.042 7.674 331 HE3 ALY 42 HE3 ALY 42 1.960 5.006 8.038 332 HE2 ALY 42 HE2 ALY 42 2.845 3.488 7.907 333 HD3 ALY 42 HD3 ALY 42 1.728 3.053 5.751 334 HD2 ALY 42 HD2 ALY 42 0.904 4.606 5.886 335 HG3 ALY 42 HG3 ALY 42 2.818 4.836 4.431 336 HG2 ALY 42 HG2 ALY 42 3.115 5.726 5.919 337 HB3 ALY 42 HB3 ALY 42 5.102 4.658 5.711 338 HB2 ALY 42 HB2 ALY 42 4.234 3.456 6.639 339 HCA ALY 42 HCA ALY 42 5.441 2.334 4.895 340 H ALY 42 H ALY 42 4.647 4.494 3.216 341 H LEU 43 H LEU 43 2.582 3.172 3.081 342 HA LEU 43 HA LEU 43 0.806 1.277 4.157 343 HB2 LEU 43 HB2 LEU 43 -0.100 3.032 2.839 344 HB3 LEU 43 HB3 LEU 43 0.968 2.690 1.500 345 HG LEU 43 HG LEU 43 -1.072 0.637 2.269 346 HD11 LEU 43 HD11 LEU 43 -1.629 3.119 0.645 347 HD12 LEU 43 HD12 LEU 43 -2.346 2.719 2.203 348 HD13 LEU 43 HD13 LEU 43 -2.699 1.728 0.787 349 HD21 LEU 43 HD21 LEU 43 -1.049 0.270 -0.175 350 HD22 LEU 43 HD22 LEU 43 0.547 0.086 0.555 351 HD23 LEU 43 HD23 LEU 43 0.144 1.567 -0.334 352 H MET 44 H MET 44 2.951 1.126 1.343 353 HA MET 44 HA MET 44 2.378 -1.508 0.577 354 HB2 MET 44 HB2 MET 44 4.696 0.341 0.138 355 HB3 MET 44 HB3 MET 44 4.805 -1.336 -0.375 356 HG2 MET 44 HG2 MET 44 3.191 -1.109 -1.965 357 HG3 MET 44 HG3 MET 44 2.462 0.313 -1.241 358 HE1 MET 44 HE1 MET 44 3.656 1.665 -4.680 359 HE2 MET 44 HE2 MET 44 2.320 1.539 -3.534 360 HE3 MET 44 HE3 MET 44 2.947 0.091 -4.321 361 H LYS 45 H LYS 45 4.753 -0.192 2.823 362 HA LYS 45 HA LYS 45 5.974 -2.692 3.353 363 HB2 LYS 45 HB2 LYS 45 7.225 -0.673 3.746 364 HB3 LYS 45 HB3 LYS 45 6.015 -0.081 4.869 365 HG2 LYS 45 HG2 LYS 45 8.100 -0.917 5.932 366 HG3 LYS 45 HG3 LYS 45 6.630 -1.701 6.511 367 HD2 LYS 45 HD2 LYS 45 8.360 -3.361 6.208 368 HD3 LYS 45 HD3 LYS 45 7.111 -3.606 4.992 369 HE2 LYS 45 HE2 LYS 45 8.486 -2.560 3.308 370 HE3 LYS 45 HE3 LYS 45 9.700 -2.128 4.513 371 HZ1 LYS 45 HZ1 LYS 45 8.926 -4.914 3.829 372 HZ2 LYS 45 HZ2 LYS 45 10.179 -4.438 4.857 373 HZ3 LYS 45 HZ3 LYS 45 10.280 -4.119 3.202 374 H ALA 46 H ALA 46 3.326 -0.898 4.871 375 HA ALA 46 HA ALA 46 3.070 -2.456 7.188 376 HB1 ALA 46 HB1 ALA 46 0.875 -1.075 5.647 377 HB2 ALA 46 HB2 ALA 46 1.908 -0.325 6.867 378 HB3 ALA 46 HB3 ALA 46 0.795 -1.614 7.327 379 H TYR 47 H TYR 47 1.406 -2.791 4.035 380 HA TYR 47 HA TYR 47 0.061 -5.160 4.736 381 HB2 TYR 47 HB2 TYR 47 -0.838 -4.059 2.896 382 HB3 TYR 47 HB3 TYR 47 0.730 -3.852 2.109 383 HD1 TYR 47 HD1 TYR 47 -2.086 -6.108 2.714 384 HD2 TYR 47 HD2 TYR 47 1.685 -5.682 0.804 385 HE1 TYR 47 HE1 TYR 47 -2.559 -8.096 1.353 386 HE2 TYR 47 HE2 TYR 47 1.223 -7.668 -0.566 387 HH TYR 47 HH TYR 47 -1.848 -9.027 -0.810 388 H CYS 48 H CYS 48 3.263 -4.516 3.470 389 HA CYS 48 HA CYS 48 3.924 -7.133 2.654 390 HB2 CYS 48 HB2 CYS 48 5.475 -5.707 1.795 391 HB3 CYS 48 HB3 CYS 48 5.294 -4.567 3.120 392 HG CYS 48 HG CYS 48 7.271 -7.365 3.094 393 H GLU 49 H GLU 49 4.162 -5.438 5.698 394 HA GLU 49 HA GLU 49 5.631 -7.448 7.087 395 HB2 GLU 49 HB2 GLU 49 3.925 -5.160 8.042 396 HB3 GLU 49 HB3 GLU 49 4.927 -6.156 9.093 397 HG2 GLU 49 HG2 GLU 49 5.998 -4.653 6.750 398 HG3 GLU 49 HG3 GLU 49 5.907 -3.958 8.357 399 H ARG 50 H ARG 50 2.265 -6.723 6.624 400 HA ARG 50 HA ARG 50 1.229 -8.448 8.608 401 HB2 ARG 50 HB2 ARG 50 -0.029 -7.413 6.071 402 HB3 ARG 50 HB3 ARG 50 -0.897 -8.201 7.380 403 HG2 ARG 50 HG2 ARG 50 0.735 -5.755 7.885 404 HG3 ARG 50 HG3 ARG 50 -0.892 -5.616 7.232 405 HD2 ARG 50 HD2 ARG 50 -1.324 -7.318 9.298 406 HD3 ARG 50 HD3 ARG 50 0.025 -6.376 9.932 407 HE ARG 50 HE ARG 50 -2.021 -4.728 8.809 408 HH11 ARG 50 HH11 ARG 50 -1.034 -6.418 11.698 409 HH12 ARG 50 HH12 ARG 50 -2.094 -5.541 12.738 410 HH21 ARG 50 HH21 ARG 50 -3.445 -3.541 10.189 411 HH22 ARG 50 HH22 ARG 50 -3.456 -3.885 11.879 412 H GLN 51 H GLN 51 1.655 -8.825 5.112 413 HA GLN 51 HA GLN 51 0.756 -11.576 5.230 414 HB2 GLN 51 HB2 GLN 51 1.273 -9.616 3.101 415 HB3 GLN 51 HB3 GLN 51 1.644 -11.279 2.681 416 HG2 GLN 51 HG2 GLN 51 -0.608 -10.736 2.010 417 HG3 GLN 51 HG3 GLN 51 -0.629 -11.950 3.282 418 HE21 GLN 51 HE21 GLN 51 -0.088 -8.528 3.827 419 HE22 GLN 51 HE22 GLN 51 -1.569 -8.241 4.671 420 H GLY 52 H GLY 52 3.821 -9.959 5.269 421 HA2 GLY 52 HA2 GLY 52 5.902 -10.924 5.639 422 HA3 GLY 52 HA3 GLY 52 5.145 -12.509 5.560 423 H LEU 53 H LEU 53 5.788 -9.780 3.404 424 HA LEU 53 HA LEU 53 6.947 -11.557 1.467 425 HB2 LEU 53 HB2 LEU 53 5.442 -10.728 -0.394 426 HB3 LEU 53 HB3 LEU 53 4.737 -11.877 0.719 427 HG LEU 53 HG LEU 53 3.646 -9.912 1.885 428 HD11 LEU 53 HD11 LEU 53 5.058 -8.133 1.044 429 HD12 LEU 53 HD12 LEU 53 3.381 -7.860 0.565 430 HD13 LEU 53 HD13 LEU 53 4.547 -8.482 -0.605 431 HD21 LEU 53 HD21 LEU 53 2.429 -11.405 0.395 432 HD22 LEU 53 HD22 LEU 53 2.922 -10.437 -0.994 433 HD23 LEU 53 HD23 LEU 53 1.857 -9.744 0.230 434 H SER 54 H SER 54 7.527 -10.161 -0.588 435 HA SER 54 HA SER 54 8.823 -7.781 0.514 436 HB2 SER 54 HB2 SER 54 9.416 -9.410 -1.954 437 HB3 SER 54 HB3 SER 54 10.326 -7.992 -1.442 438 HG SER 54 HG SER 54 10.182 -10.552 -0.285 439 H MET 55 H MET 55 8.276 -5.788 -0.133 440 HA MET 55 HA MET 55 6.001 -5.354 -1.759 441 HB2 MET 55 HB2 MET 55 6.585 -2.942 -1.615 442 HB3 MET 55 HB3 MET 55 6.536 -3.741 -0.051 443 HG2 MET 55 HG2 MET 55 8.802 -3.590 0.253 444 HG3 MET 55 HG3 MET 55 9.141 -3.488 -1.477 445 HE1 MET 55 HE1 MET 55 7.876 -1.577 1.715 446 HE2 MET 55 HE2 MET 55 6.502 -1.457 0.620 447 HE3 MET 55 HE3 MET 55 7.429 -0.015 1.033 448 H ARG 56 H ARG 56 9.368 -5.582 -2.479 449 HA ARG 56 HA ARG 56 9.248 -4.275 -5.025 450 HB2 ARG 56 HB2 ARG 56 11.517 -5.244 -5.355 451 HB3 ARG 56 HB3 ARG 56 11.355 -4.397 -3.824 452 HG2 ARG 56 HG2 ARG 56 11.306 -6.380 -2.605 453 HG3 ARG 56 HG3 ARG 56 11.019 -7.351 -4.049 454 HD2 ARG 56 HD2 ARG 56 13.204 -7.014 -4.831 455 HD3 ARG 56 HD3 ARG 56 13.513 -5.731 -3.658 456 HE ARG 56 HE ARG 56 13.261 -7.541 -1.952 457 HH11 ARG 56 HH11 ARG 56 14.384 -8.251 -5.214 458 HH12 ARG 56 HH12 ARG 56 15.321 -9.617 -4.730 459 HH21 ARG 56 HH21 ARG 56 14.493 -9.368 -1.315 460 HH22 ARG 56 HH22 ARG 56 15.382 -10.268 -2.501 461 H GLN 57 H GLN 57 8.181 -7.269 -3.930 462 HA GLN 57 HA GLN 57 8.458 -8.531 -6.572 463 HB2 GLN 57 HB2 GLN 57 7.599 -9.772 -3.958 464 HB3 GLN 57 HB3 GLN 57 7.988 -10.623 -5.446 465 HG2 GLN 57 HG2 GLN 57 9.954 -8.935 -3.935 466 HG3 GLN 57 HG3 GLN 57 9.756 -10.658 -3.664 467 HE21 GLN 57 HE21 GLN 57 10.837 -8.207 -5.881 468 HE22 GLN 57 HE22 GLN 57 11.753 -9.254 -6.897 469 H ILE 58 H ILE 58 6.361 -6.590 -5.088 470 HA ILE 58 HA ILE 58 4.041 -7.841 -6.378 471 HB ILE 58 HB ILE 58 2.598 -7.061 -4.502 472 HG12 ILE 58 HG12 ILE 58 5.173 -6.705 -2.989 473 HG13 ILE 58 HG13 ILE 58 4.284 -5.369 -3.708 474 HG21 ILE 58 HG21 ILE 58 3.159 -8.848 -2.952 475 HG22 ILE 58 HG22 ILE 58 4.774 -8.964 -3.648 476 HG23 ILE 58 HG23 ILE 58 3.364 -9.390 -4.620 477 HD11 ILE 58 HD11 ILE 58 2.369 -5.871 -2.291 478 HD12 ILE 58 HD12 ILE 58 3.817 -5.602 -1.319 479 HD13 ILE 58 HD13 ILE 58 3.233 -7.243 -1.601 480 H ARG 59 H ARG 59 2.201 -6.180 -6.439 481 HA ARG 59 HA ARG 59 3.155 -3.437 -6.676 482 HB2 ARG 59 HB2 ARG 59 2.022 -5.059 -8.927 483 HB3 ARG 59 HB3 ARG 59 1.799 -3.320 -8.885 484 HG2 ARG 59 HG2 ARG 59 4.421 -4.798 -8.956 485 HG3 ARG 59 HG3 ARG 59 3.688 -3.878 -10.275 486 HD2 ARG 59 HD2 ARG 59 3.742 -1.906 -8.590 487 HD3 ARG 59 HD3 ARG 59 4.917 -2.894 -7.727 488 HE ARG 59 HE ARG 59 5.479 -2.519 -10.537 489 HH11 ARG 59 HH11 ARG 59 6.061 -1.373 -7.269 490 HH12 ARG 59 HH12 ARG 59 7.451 -0.442 -7.716 491 HH21 ARG 59 HH21 ARG 59 7.307 -1.307 -11.116 492 HH22 ARG 59 HH22 ARG 59 8.162 -0.404 -9.913 493 H PHE 60 H PHE 60 1.536 -1.859 -6.584 494 HA PHE 60 HA PHE 60 -1.030 -2.828 -5.527 495 HB2 PHE 60 HB2 PHE 60 0.534 -0.309 -4.812 496 HB3 PHE 60 HB3 PHE 60 -1.107 -0.634 -4.292 497 HD1 PHE 60 HD1 PHE 60 2.187 -2.400 -4.308 498 HD2 PHE 60 HD2 PHE 60 -1.338 -1.379 -2.167 499 HE1 PHE 60 HE1 PHE 60 3.064 -3.549 -2.315 500 HE2 PHE 60 HE2 PHE 60 -0.460 -2.533 -0.175 501 HZ PHE 60 HZ PHE 60 1.735 -3.622 -0.256 502 H ARG 61 H ARG 61 -2.858 -2.131 -6.511 503 HA ARG 61 HA ARG 61 -2.677 0.206 -8.268 504 HB2 ARG 61 HB2 ARG 61 -3.844 -0.894 -10.095 505 HB3 ARG 61 HB3 ARG 61 -2.401 -1.798 -9.671 506 HG2 ARG 61 HG2 ARG 61 -3.765 -3.552 -9.811 507 HG3 ARG 61 HG3 ARG 61 -4.171 -3.071 -8.171 508 HD2 ARG 61 HD2 ARG 61 -6.117 -1.873 -8.974 509 HD3 ARG 61 HD3 ARG 61 -5.673 -2.222 -10.647 510 HE ARG 61 HE ARG 61 -5.884 -4.637 -9.224 511 HH11 ARG 61 HH11 ARG 61 -7.923 -2.119 -10.568 512 HH12 ARG 61 HH12 ARG 61 -9.321 -3.123 -10.647 513 HH21 ARG 61 HH21 ARG 61 -7.711 -5.952 -9.337 514 HH22 ARG 61 HH22 ARG 61 -9.205 -5.323 -9.938 515 H PHE 62 H PHE 62 -4.453 1.466 -8.397 516 HA PHE 62 HA PHE 62 -6.849 0.657 -6.924 517 HB2 PHE 62 HB2 PHE 62 -5.467 1.893 -5.334 518 HB3 PHE 62 HB3 PHE 62 -5.278 3.206 -6.485 519 HD1 PHE 62 HD1 PHE 62 -7.645 1.494 -4.250 520 HD2 PHE 62 HD2 PHE 62 -6.952 4.866 -6.747 521 HE1 PHE 62 HE1 PHE 62 -9.624 2.599 -3.301 522 HE2 PHE 62 HE2 PHE 62 -8.934 5.980 -5.800 523 HZ PHE 62 HZ PHE 62 -10.272 4.843 -4.074 524 H ASP 63 H ASP 63 -8.708 1.426 -7.832 525 HA ASP 63 HA ASP 63 -10.100 2.247 -9.432 526 HB2 ASP 63 HB2 ASP 63 -8.626 4.425 -8.418 527 HB3 ASP 63 HB3 ASP 63 -8.750 4.665 -10.154 528 H GLY 64 H GLY 64 -8.027 0.534 -10.413 529 HA2 GLY 64 HA2 GLY 64 -7.557 -0.234 -12.540 530 HA3 GLY 64 HA3 GLY 64 -8.261 1.243 -13.177 531 H GLN 65 H GLN 65 -6.119 2.377 -11.019 532 HA GLN 65 HA GLN 65 -3.945 2.344 -13.000 533 HB2 GLN 65 HB2 GLN 65 -3.389 4.656 -12.276 534 HB3 GLN 65 HB3 GLN 65 -4.955 4.516 -13.059 535 HG2 GLN 65 HG2 GLN 65 -6.035 4.528 -10.854 536 HG3 GLN 65 HG3 GLN 65 -4.458 4.744 -10.099 537 HE21 GLN 65 HE21 GLN 65 -6.921 6.183 -12.033 538 HE22 GLN 65 HE22 GLN 65 -6.378 7.817 -11.886 539 HA PRO 66 HA PRO 66 -1.366 0.917 -9.712 540 HB2 PRO 66 HB2 PRO 66 1.033 1.352 -10.854 541 HB3 PRO 66 HB3 PRO 66 -0.055 0.083 -11.432 542 HG2 PRO 66 HG2 PRO 66 0.394 2.834 -12.534 543 HG3 PRO 66 HG3 PRO 66 0.264 1.295 -13.401 544 HD2 PRO 66 HD2 PRO 66 -1.805 3.054 -13.182 545 HD3 PRO 66 HD3 PRO 66 -2.033 1.298 -13.310 546 H ILE 67 H ILE 67 -0.152 1.752 -8.013 547 HA ILE 67 HA ILE 67 0.513 4.611 -8.168 548 HB ILE 67 HB ILE 67 -0.028 4.786 -5.703 549 HG12 ILE 67 HG12 ILE 67 -0.274 2.201 -5.499 550 HG13 ILE 67 HG13 ILE 67 -1.365 3.224 -4.580 551 HG21 ILE 67 HG21 ILE 67 -2.418 5.218 -6.083 552 HG22 ILE 67 HG22 ILE 67 -2.291 4.410 -7.647 553 HG23 ILE 67 HG23 ILE 67 -1.378 5.888 -7.338 554 HD11 ILE 67 HD11 ILE 67 -2.525 1.334 -5.587 555 HD12 ILE 67 HD12 ILE 67 -2.002 1.857 -7.187 556 HD13 ILE 67 HD13 ILE 67 -3.108 2.859 -6.251 557 H ASN 68 H ASN 68 2.425 5.201 -7.392 558 HA ASN 68 HA ASN 68 4.168 3.073 -6.430 559 HB2 ASN 68 HB2 ASN 68 5.948 4.940 -6.650 560 HB3 ASN 68 HB3 ASN 68 5.299 4.236 -8.122 561 HD21 ASN 68 HD21 ASN 68 3.603 6.540 -6.088 562 HD22 ASN 68 HD22 ASN 68 3.621 7.833 -7.238 563 H GLU 69 H GLU 69 5.610 3.436 -4.648 564 HA GLU 69 HA GLU 69 4.281 4.138 -2.303 565 HB2 GLU 69 HB2 GLU 69 6.628 4.049 -1.318 566 HB3 GLU 69 HB3 GLU 69 6.013 2.599 -2.094 567 HG2 GLU 69 HG2 GLU 69 7.378 2.830 -3.913 568 HG3 GLU 69 HG3 GLU 69 7.661 4.551 -3.636 569 H THR 70 H THR 70 6.051 6.119 -4.495 570 HA THR 70 HA THR 70 6.763 8.153 -2.640 571 HB THR 70 HB THR 70 7.341 9.484 -4.622 572 HG1 THR 70 HG1 THR 70 5.846 8.994 -6.142 573 HG21 THR 70 HG21 THR 70 9.007 7.961 -5.584 574 HG22 THR 70 HG22 THR 70 8.168 6.588 -4.859 575 HG23 THR 70 HG23 THR 70 8.935 7.797 -3.829 576 H ASP 71 H ASP 71 3.859 7.282 -4.133 577 HA ASP 71 HA ASP 71 2.797 9.989 -4.079 578 HB2 ASP 71 HB2 ASP 71 2.073 7.499 -5.429 579 HB3 ASP 71 HB3 ASP 71 0.682 8.398 -4.841 580 H THR 72 H THR 72 0.585 10.277 -3.160 581 HA THR 72 HA THR 72 0.427 8.908 -0.561 582 HB THR 72 HB THR 72 -0.657 11.041 0.234 583 HG1 THR 72 HG1 THR 72 0.422 12.653 -1.632 584 HG21 THR 72 HG21 THR 72 1.429 12.278 0.465 585 HG22 THR 72 HG22 THR 72 2.146 11.346 -0.850 586 HG23 THR 72 HG23 THR 72 1.721 10.551 0.672 587 HA PRO 73 HA PRO 73 -3.774 7.774 -1.520 588 HB2 PRO 73 HB2 PRO 73 -5.020 8.145 0.889 589 HB3 PRO 73 HB3 PRO 73 -3.971 6.768 0.540 590 HG2 PRO 73 HG2 PRO 73 -3.348 9.297 2.008 591 HG3 PRO 73 HG3 PRO 73 -2.881 7.632 2.393 592 HD2 PRO 73 HD2 PRO 73 -1.180 9.366 1.240 593 HD3 PRO 73 HD3 PRO 73 -1.147 7.632 0.875 594 H ALA 74 H ALA 74 -2.896 10.898 -0.616 595 HA ALA 74 HA ALA 74 -5.577 12.008 -0.949 596 HB1 ALA 74 HB1 ALA 74 -4.164 12.854 0.875 597 HB2 ALA 74 HB2 ALA 74 -4.596 14.118 -0.276 598 HB3 ALA 74 HB3 ALA 74 -2.984 13.406 -0.314 599 H GLN 75 H GLN 75 -2.700 11.409 -2.699 600 HA GLN 75 HA GLN 75 -2.699 13.498 -4.564 601 HB2 GLN 75 HB2 GLN 75 -0.948 11.657 -4.147 602 HB3 GLN 75 HB3 GLN 75 -1.919 10.674 -5.230 603 HG2 GLN 75 HG2 GLN 75 -0.294 11.564 -6.610 604 HG3 GLN 75 HG3 GLN 75 -1.686 12.616 -6.881 605 HE21 GLN 75 HE21 GLN 75 1.435 12.315 -5.457 606 HE22 GLN 75 HE22 GLN 75 1.707 14.002 -5.161 607 H LEU 76 H LEU 76 -4.388 10.426 -4.488 608 HA LEU 76 HA LEU 76 -5.769 11.162 -6.952 609 HB2 LEU 76 HB2 LEU 76 -6.510 8.664 -6.864 610 HB3 LEU 76 HB3 LEU 76 -4.919 9.082 -7.447 611 HG LEU 76 HG LEU 76 -5.062 7.032 -5.971 612 HD11 LEU 76 HD11 LEU 76 -3.013 7.474 -4.763 613 HD12 LEU 76 HD12 LEU 76 -3.226 9.206 -4.989 614 HD13 LEU 76 HD13 LEU 76 -2.941 8.164 -6.383 615 HD21 LEU 76 HD21 LEU 76 -6.608 7.699 -4.302 616 HD22 LEU 76 HD22 LEU 76 -5.639 9.109 -3.881 617 HD23 LEU 76 HD23 LEU 76 -5.046 7.494 -3.506 618 H GLU 77 H GLU 77 -6.140 11.457 -3.799 619 HA GLU 77 HA GLU 77 -7.818 11.725 -2.335 620 HB2 GLU 77 HB2 GLU 77 -9.231 12.454 -4.888 621 HB3 GLU 77 HB3 GLU 77 -9.949 12.660 -3.297 622 HG2 GLU 77 HG2 GLU 77 -8.065 14.118 -2.670 623 HG3 GLU 77 HG3 GLU 77 -7.441 13.966 -4.312 624 H MET 78 H MET 78 -7.549 9.244 -2.276 625 HA MET 78 HA MET 78 -9.900 7.797 -3.104 626 HB2 MET 78 HB2 MET 78 -8.909 5.915 -1.774 627 HB3 MET 78 HB3 MET 78 -7.881 6.527 -3.059 628 HG2 MET 78 HG2 MET 78 -6.540 7.735 -1.473 629 HG3 MET 78 HG3 MET 78 -7.632 7.283 -0.162 630 HE1 MET 78 HE1 MET 78 -5.333 4.006 -2.457 631 HE2 MET 78 HE2 MET 78 -5.347 5.678 -3.009 632 HE3 MET 78 HE3 MET 78 -6.844 4.743 -2.988 633 H GLU 79 H GLU 79 -11.086 6.482 -1.410 634 HA GLU 79 HA GLU 79 -12.033 8.389 0.575 635 HB2 GLU 79 HB2 GLU 79 -13.179 5.743 -0.300 636 HB3 GLU 79 HB3 GLU 79 -13.955 6.898 0.776 637 HG2 GLU 79 HG2 GLU 79 -13.201 7.449 -2.072 638 HG3 GLU 79 HG3 GLU 79 -14.802 6.945 -1.536 639 H ASP 80 H ASP 80 -12.713 7.476 2.710 640 HA ASP 80 HA ASP 80 -10.508 6.093 3.878 641 HB2 ASP 80 HB2 ASP 80 -11.772 6.282 5.987 642 HB3 ASP 80 HB3 ASP 80 -11.620 7.837 5.165 643 H GLU 81 H GLU 81 -10.390 4.080 4.583 644 HA GLU 81 HA GLU 81 -10.778 1.905 4.869 645 HB2 GLU 81 HB2 GLU 81 -13.710 2.631 4.743 646 HB3 GLU 81 HB3 GLU 81 -13.052 1.106 5.326 647 HG2 GLU 81 HG2 GLU 81 -11.862 2.330 7.108 648 HG3 GLU 81 HG3 GLU 81 -12.582 3.819 6.528 649 H ASP 82 H ASP 82 -10.750 3.320 2.176 650 HA ASP 82 HA ASP 82 -12.142 1.617 0.371 651 HB2 ASP 82 HB2 ASP 82 -10.876 4.009 0.129 652 HB3 ASP 82 HB3 ASP 82 -9.666 2.929 -0.550 653 H THR 83 H THR 83 -10.528 0.547 -1.442 654 HA THR 83 HA THR 83 -8.550 -1.027 0.040 655 HB THR 83 HB THR 83 -10.417 -2.364 -1.902 656 HG1 THR 83 HG1 THR 83 -11.048 -1.321 0.506 657 HG21 THR 83 HG21 THR 83 -9.781 -4.359 -0.650 658 HG22 THR 83 HG22 THR 83 -8.859 -3.370 0.483 659 HG23 THR 83 HG23 THR 83 -8.331 -3.511 -1.198 660 H ILE 84 H ILE 84 -6.912 -1.974 -1.234 661 HA ILE 84 HA ILE 84 -6.631 -0.917 -3.967 662 HB ILE 84 HB ILE 84 -4.532 -1.078 -1.775 663 HG12 ILE 84 HG12 ILE 84 -4.122 1.331 -2.571 664 HG13 ILE 84 HG13 ILE 84 -5.651 1.180 -3.420 665 HG21 ILE 84 HG21 ILE 84 -2.858 -0.394 -3.427 666 HG22 ILE 84 HG22 ILE 84 -4.051 -0.619 -4.708 667 HG23 ILE 84 HG23 ILE 84 -3.513 -1.998 -3.750 668 HD11 ILE 84 HD11 ILE 84 -5.240 0.921 -0.457 669 HD12 ILE 84 HD12 ILE 84 -6.777 0.742 -1.306 670 HD13 ILE 84 HD13 ILE 84 -5.946 2.299 -1.304 671 H ASP 85 H ASP 85 -5.669 -2.379 -5.455 672 HA ASP 85 HA ASP 85 -5.861 -5.167 -4.597 673 HB2 ASP 85 HB2 ASP 85 -6.955 -4.249 -6.703 674 HB3 ASP 85 HB3 ASP 85 -5.313 -4.122 -7.340 675 H VAL 86 H VAL 86 -4.172 -6.555 -4.573 676 HA VAL 86 HA VAL 86 -1.583 -5.506 -5.418 677 HB VAL 86 HB VAL 86 -2.361 -6.838 -2.862 678 HG11 VAL 86 HG11 VAL 86 -0.789 -8.465 -3.779 679 HG12 VAL 86 HG12 VAL 86 -0.038 -7.564 -2.458 680 HG13 VAL 86 HG13 VAL 86 0.364 -7.175 -4.132 681 HG21 VAL 86 HG21 VAL 86 -1.910 -4.455 -2.982 682 HG22 VAL 86 HG22 VAL 86 -0.294 -4.788 -3.607 683 HG23 VAL 86 HG23 VAL 86 -0.729 -5.282 -1.969 684 H PHE 87 H PHE 87 -0.292 -6.800 -6.496 685 HA PHE 87 HA PHE 87 -1.065 -9.576 -6.896 686 HB2 PHE 87 HB2 PHE 87 -0.446 -9.221 -9.397 687 HB3 PHE 87 HB3 PHE 87 -2.059 -8.786 -8.836 688 HD1 PHE 87 HD1 PHE 87 -2.442 -6.322 -8.229 689 HD2 PHE 87 HD2 PHE 87 0.850 -7.682 -10.554 690 HE1 PHE 87 HE1 PHE 87 -2.162 -4.067 -9.117 691 HE2 PHE 87 HE2 PHE 87 1.139 -5.416 -11.466 692 HZ PHE 87 HZ PHE 87 -0.369 -3.601 -10.749 693 H GLN 88 H GLN 88 0.639 -10.939 -7.457 694 HA GLN 88 HA GLN 88 3.264 -9.728 -6.927 695 HB2 GLN 88 HB2 GLN 88 2.795 -12.635 -6.449 696 HB3 GLN 88 HB3 GLN 88 3.919 -11.542 -5.662 697 HG2 GLN 88 HG2 GLN 88 1.760 -10.461 -4.680 698 HG3 GLN 88 HG3 GLN 88 1.022 -11.991 -5.130 699 HE21 GLN 88 HE21 GLN 88 4.301 -11.439 -3.946 700 HE22 GLN 88 HE22 GLN 88 4.113 -12.379 -2.507 701 H GLN 89 H GLN 89 4.393 -9.624 -8.705 702 HA GLN 89 HA GLN 89 3.923 -11.193 -10.994 703 HB2 GLN 89 HB2 GLN 89 6.345 -9.543 -10.267 704 HB3 GLN 89 HB3 GLN 89 5.985 -10.170 -11.870 705 HG2 GLN 89 HG2 GLN 89 3.935 -8.840 -11.931 706 HG3 GLN 89 HG3 GLN 89 4.302 -8.207 -10.328 707 HE21 GLN 89 HE21 GLN 89 4.380 -6.114 -11.030 708 HE22 GLN 89 HE22 GLN 89 5.674 -5.491 -11.992 709 H GLN 90 H GLN 90 6.125 -12.184 -12.011 710 HA GLN 90 HA GLN 90 6.840 -14.336 -10.130 711 HB2 GLN 90 HB2 GLN 90 6.611 -14.455 -13.143 712 HB3 GLN 90 HB3 GLN 90 7.040 -15.796 -12.091 713 HG2 GLN 90 HG2 GLN 90 4.875 -15.904 -11.174 714 HG3 GLN 90 HG3 GLN 90 4.428 -14.338 -11.850 715 HE21 GLN 90 HE21 GLN 90 3.934 -14.184 -14.021 716 HE22 GLN 90 HE22 GLN 90 3.570 -15.564 -14.991 717 H THR 91 H THR 91 8.863 -13.704 -9.374 718 HA THR 91 HA THR 91 10.800 -12.802 -11.331 719 HB THR 91 HB THR 91 12.135 -12.481 -9.108 720 HG1 THR 91 HG1 THR 91 10.771 -12.254 -7.292 721 HG21 THR 91 HG21 THR 91 11.084 -10.281 -8.774 722 HG22 THR 91 HG22 THR 91 9.703 -10.796 -9.742 723 HG23 THR 91 HG23 THR 91 11.293 -10.636 -10.489 724 H GLY 92 H GLY 92 11.930 -14.408 -12.261 725 HA2 GLY 92 HA2 GLY 92 12.159 -17.017 -11.313 726 HA3 GLY 92 HA3 GLY 92 13.211 -16.284 -12.510 727 H GLY 93 H GLY 93 14.779 -14.630 -11.420 728 HA2 GLY 93 HA2 GLY 93 15.834 -14.308 -9.108 729 HA3 GLY 93 HA3 GLY 93 16.043 -16.055 -9.177 Start of MODEL 5 1 H MET 1 H MET 1 -14.566 23.189 35.317 2 HA MET 1 HA MET 1 -16.136 21.443 35.042 3 HB2 MET 1 HB2 MET 1 -17.935 22.684 34.023 4 HB3 MET 1 HB3 MET 1 -16.903 23.817 34.871 5 HG2 MET 1 HG2 MET 1 -16.966 23.333 31.899 6 HG3 MET 1 HG3 MET 1 -17.629 24.720 32.756 7 HE1 MET 1 HE1 MET 1 -16.314 26.379 31.137 8 HE2 MET 1 HE2 MET 1 -15.672 24.989 30.260 9 HE3 MET 1 HE3 MET 1 -14.584 26.261 30.816 10 H ALA 2 H ALA 2 -14.718 22.444 32.028 11 HA ALA 2 HA ALA 2 -16.041 20.687 30.334 12 HB1 ALA 2 HB1 ALA 2 -13.278 21.832 30.009 13 HB2 ALA 2 HB2 ALA 2 -14.783 22.643 29.579 14 HB3 ALA 2 HB3 ALA 2 -14.294 21.179 28.728 15 H ASP 3 H ASP 3 -16.139 18.576 30.814 16 HA ASP 3 HA ASP 3 -13.690 17.070 31.370 17 HB2 ASP 3 HB2 ASP 3 -16.625 16.369 31.413 18 HB3 ASP 3 HB3 ASP 3 -15.393 15.114 31.435 19 H GLU 4 H GLU 4 -13.836 18.306 28.925 20 HA GLU 4 HA GLU 4 -14.214 16.085 27.033 21 HB2 GLU 4 HB2 GLU 4 -14.694 17.908 25.342 22 HB3 GLU 4 HB3 GLU 4 -15.931 17.661 26.566 23 HG2 GLU 4 HG2 GLU 4 -14.999 19.562 27.833 24 HG3 GLU 4 HG3 GLU 4 -13.865 19.849 26.515 25 H LYS 5 H LYS 5 -11.867 16.627 28.465 26 HA LYS 5 HA LYS 5 -10.104 17.573 26.314 27 HB2 LYS 5 HB2 LYS 5 -9.799 18.010 29.281 28 HB3 LYS 5 HB3 LYS 5 -8.482 18.237 28.142 29 HG2 LYS 5 HG2 LYS 5 -11.102 19.729 28.122 30 HG3 LYS 5 HG3 LYS 5 -9.556 20.351 28.707 31 HD2 LYS 5 HD2 LYS 5 -8.609 20.053 26.446 32 HD3 LYS 5 HD3 LYS 5 -10.182 19.496 25.875 33 HE2 LYS 5 HE2 LYS 5 -9.897 21.816 25.296 34 HE3 LYS 5 HE3 LYS 5 -11.150 21.671 26.527 35 HZ1 LYS 5 HZ1 LYS 5 -9.645 23.503 26.983 36 HZ2 LYS 5 HZ2 LYS 5 -8.328 22.449 27.023 37 HZ3 LYS 5 HZ3 LYS 5 -9.537 22.332 28.195 38 HA PRO 6 HA PRO 6 -8.726 13.330 27.040 39 HB2 PRO 6 HB2 PRO 6 -8.223 12.743 24.476 40 HB3 PRO 6 HB3 PRO 6 -9.875 12.759 25.100 41 HG2 PRO 6 HG2 PRO 6 -8.443 14.816 23.479 42 HG3 PRO 6 HG3 PRO 6 -10.123 14.264 23.359 43 HD2 PRO 6 HD2 PRO 6 -9.310 16.573 24.645 44 HD3 PRO 6 HD3 PRO 6 -10.829 15.721 24.970 45 H LYS 7 H LYS 7 -6.652 12.308 25.744 46 HA LYS 7 HA LYS 7 -4.460 14.103 26.400 47 HB2 LYS 7 HB2 LYS 7 -4.453 11.219 25.509 48 HB3 LYS 7 HB3 LYS 7 -3.043 12.116 26.055 49 HG2 LYS 7 HG2 LYS 7 -4.089 12.399 28.255 50 HG3 LYS 7 HG3 LYS 7 -5.474 11.456 27.701 51 HD2 LYS 7 HD2 LYS 7 -2.624 10.462 27.849 52 HD3 LYS 7 HD3 LYS 7 -3.891 10.098 29.020 53 HE2 LYS 7 HE2 LYS 7 -5.190 8.985 27.282 54 HE3 LYS 7 HE3 LYS 7 -3.956 9.381 26.087 55 HZ1 LYS 7 HZ1 LYS 7 -3.575 7.643 28.460 56 HZ2 LYS 7 HZ2 LYS 7 -2.382 8.028 27.326 57 HZ3 LYS 7 HZ3 LYS 7 -3.727 7.121 26.862 58 H GLU 8 H GLU 8 -6.151 14.568 24.058 59 HA GLU 8 HA GLU 8 -4.565 13.906 21.733 60 HB2 GLU 8 HB2 GLU 8 -7.099 14.034 21.786 61 HB3 GLU 8 HB3 GLU 8 -6.929 15.781 21.868 62 HG2 GLU 8 HG2 GLU 8 -5.757 15.759 19.716 63 HG3 GLU 8 HG3 GLU 8 -5.952 14.011 19.637 64 H GLY 9 H GLY 9 -3.670 15.832 23.996 65 HA2 GLY 9 HA2 GLY 9 -3.279 18.346 22.644 66 HA3 GLY 9 HA3 GLY 9 -2.569 17.864 24.181 67 H VAL 10 H VAL 10 -2.386 17.015 20.751 68 HA VAL 10 HA VAL 10 0.484 16.515 21.085 69 HB VAL 10 HB VAL 10 -0.771 14.612 20.205 70 HG11 VAL 10 HG11 VAL 10 -2.647 15.783 19.210 71 HG12 VAL 10 HG12 VAL 10 -1.899 14.699 18.035 72 HG13 VAL 10 HG13 VAL 10 -1.595 16.435 17.953 73 HG21 VAL 10 HG21 VAL 10 1.483 14.817 19.411 74 HG22 VAL 10 HG22 VAL 10 0.986 15.939 18.148 75 HG23 VAL 10 HG23 VAL 10 0.473 14.251 18.080 76 H LYS 11 H LYS 11 1.979 17.682 19.946 77 HA LYS 11 HA LYS 11 0.933 19.851 18.304 78 HB2 LYS 11 HB2 LYS 11 3.184 20.878 18.747 79 HB3 LYS 11 HB3 LYS 11 2.088 20.808 20.112 80 HG2 LYS 11 HG2 LYS 11 4.213 20.264 20.965 81 HG3 LYS 11 HG3 LYS 11 3.366 18.726 20.817 82 HD2 LYS 11 HD2 LYS 11 5.640 18.468 20.028 83 HD3 LYS 11 HD3 LYS 11 4.532 18.339 18.664 84 HE2 LYS 11 HE2 LYS 11 6.440 19.678 18.045 85 HE3 LYS 11 HE3 LYS 11 5.001 20.687 18.087 86 HZ1 LYS 11 HZ1 LYS 11 5.682 21.501 20.268 87 HZ2 LYS 11 HZ2 LYS 11 6.888 21.789 19.127 88 HZ3 LYS 11 HZ3 LYS 11 7.057 20.522 20.229 89 H THR 12 H THR 12 2.727 16.993 18.284 90 HA THR 12 HA THR 12 4.397 17.459 16.056 91 HB THR 12 HB THR 12 3.302 14.880 17.165 92 HG1 THR 12 HG1 THR 12 5.830 16.107 17.648 93 HG21 THR 12 HG21 THR 12 4.197 14.573 14.904 94 HG22 THR 12 HG22 THR 12 5.264 13.824 16.093 95 HG23 THR 12 HG23 THR 12 5.691 15.380 15.379 96 H GLU 13 H GLU 13 1.089 16.454 16.423 97 HA GLU 13 HA GLU 13 0.837 16.049 13.538 98 HB2 GLU 13 HB2 GLU 13 -0.922 15.207 15.848 99 HB3 GLU 13 HB3 GLU 13 -1.380 15.030 14.160 100 HG2 GLU 13 HG2 GLU 13 1.062 13.774 15.390 101 HG3 GLU 13 HG3 GLU 13 -0.493 12.961 15.210 102 H ASN 14 H ASN 14 -1.587 16.744 12.866 103 HA ASN 14 HA ASN 14 -2.583 19.059 14.179 104 HB2 ASN 14 HB2 ASN 14 -2.218 20.608 12.250 105 HB3 ASN 14 HB3 ASN 14 -0.733 20.183 13.090 106 HD21 ASN 14 HD21 ASN 14 0.802 18.975 12.040 107 HD22 ASN 14 HD22 ASN 14 0.752 18.643 10.344 108 H ASN 15 H ASN 15 -2.485 16.841 11.516 109 HA ASN 15 HA ASN 15 -5.344 17.286 11.079 110 HB2 ASN 15 HB2 ASN 15 -5.015 16.361 8.804 111 HB3 ASN 15 HB3 ASN 15 -4.079 17.827 9.064 112 HD21 ASN 15 HD21 ASN 15 -1.850 17.696 9.218 113 HD22 ASN 15 HD22 ASN 15 -0.981 16.294 8.697 114 H ASP 16 H ASP 16 -6.337 15.133 10.126 115 HA ASP 16 HA ASP 16 -5.513 13.021 11.979 116 HB2 ASP 16 HB2 ASP 16 -7.813 12.111 11.643 117 HB3 ASP 16 HB3 ASP 16 -7.802 13.720 12.353 118 H HIS 17 H HIS 17 -6.533 10.801 10.894 119 HA HIS 17 HA HIS 17 -5.558 10.718 8.162 120 HB2 HIS 17 HB2 HIS 17 -4.152 8.750 8.619 121 HB3 HIS 17 HB3 HIS 17 -3.581 10.216 9.403 122 HD1 HIS 17 HD1 HIS 17 -3.654 10.260 12.020 123 HD2 HIS 17 HD2 HIS 17 -4.871 6.705 10.282 124 HE1 HIS 17 HE1 HIS 17 -3.693 8.566 13.890 125 HE2 HIS 17 HE2 HIS 17 -4.712 6.545 12.878 126 H ILE 18 H ILE 18 -6.021 8.620 7.066 127 HA ILE 18 HA ILE 18 -8.627 7.661 8.034 128 HB ILE 18 HB ILE 18 -9.239 7.207 5.712 129 HG12 ILE 18 HG12 ILE 18 -6.795 8.808 4.899 130 HG13 ILE 18 HG13 ILE 18 -6.832 7.046 4.893 131 HG21 ILE 18 HG21 ILE 18 -9.575 9.571 5.033 132 HG22 ILE 18 HG22 ILE 18 -8.471 10.060 6.320 133 HG23 ILE 18 HG23 ILE 18 -9.989 9.258 6.719 134 HD11 ILE 18 HD11 ILE 18 -7.215 7.954 2.676 135 HD12 ILE 18 HD12 ILE 18 -8.602 8.867 3.270 136 HD13 ILE 18 HD13 ILE 18 -8.645 7.103 3.254 137 H ASN 19 H ASN 19 -9.275 5.564 6.980 138 HA ASN 19 HA ASN 19 -7.157 3.614 7.460 139 HB2 ASN 19 HB2 ASN 19 -10.147 3.269 7.168 140 HB3 ASN 19 HB3 ASN 19 -9.011 1.989 7.579 141 HD21 ASN 19 HD21 ASN 19 -10.574 4.903 8.670 142 HD22 ASN 19 HD22 ASN 19 -10.235 4.690 10.342 143 H LEU 20 H LEU 20 -6.452 2.295 5.919 144 HA LEU 20 HA LEU 20 -7.862 2.213 3.313 145 HB2 LEU 20 HB2 LEU 20 -5.054 2.869 3.907 146 HB3 LEU 20 HB3 LEU 20 -5.255 1.659 2.659 147 HG LEU 20 HG LEU 20 -5.058 3.804 1.610 148 HD11 LEU 20 HD11 LEU 20 -7.962 3.003 1.566 149 HD12 LEU 20 HD12 LEU 20 -6.677 2.225 0.645 150 HD13 LEU 20 HD13 LEU 20 -7.090 3.910 0.331 151 HD21 LEU 20 HD21 LEU 20 -6.619 5.633 2.056 152 HD22 LEU 20 HD22 LEU 20 -5.660 5.221 3.478 153 HD23 LEU 20 HD23 LEU 20 -7.339 4.691 3.362 154 H LYS 21 H LYS 21 -7.404 0.263 2.073 155 HA LYS 21 HA LYS 21 -6.612 -2.021 3.722 156 HB2 LYS 21 HB2 LYS 21 -9.115 -1.782 2.079 157 HB3 LYS 21 HB3 LYS 21 -8.527 -3.288 2.767 158 HG2 LYS 21 HG2 LYS 21 -8.883 -2.540 4.953 159 HG3 LYS 21 HG3 LYS 21 -9.144 -0.879 4.420 160 HD2 LYS 21 HD2 LYS 21 -11.271 -1.867 4.964 161 HD3 LYS 21 HD3 LYS 21 -11.171 -1.632 3.220 162 HE2 LYS 21 HE2 LYS 21 -10.558 -4.005 2.964 163 HE3 LYS 21 HE3 LYS 21 -10.734 -4.222 4.706 164 HZ1 LYS 21 HZ1 LYS 21 -12.869 -3.451 2.792 165 HZ2 LYS 21 HZ2 LYS 21 -13.079 -3.527 4.465 166 HZ3 LYS 21 HZ3 LYS 21 -12.731 -4.931 3.590 167 H VAL 22 H VAL 22 -5.761 -3.705 2.583 168 HA VAL 22 HA VAL 22 -5.423 -3.268 -0.299 169 HB VAL 22 HB VAL 22 -3.254 -4.127 1.628 170 HG11 VAL 22 HG11 VAL 22 -3.184 -5.465 -0.402 171 HG12 VAL 22 HG12 VAL 22 -1.829 -4.341 -0.325 172 HG13 VAL 22 HG13 VAL 22 -3.205 -3.994 -1.374 173 HG21 VAL 22 HG21 VAL 22 -3.342 -1.812 -0.298 174 HG22 VAL 22 HG22 VAL 22 -2.102 -2.148 0.911 175 HG23 VAL 22 HG23 VAL 22 -3.726 -1.685 1.415 176 H ALA 23 H ALA 23 -6.262 -4.822 -1.362 177 HA ALA 23 HA ALA 23 -6.733 -7.426 -0.139 178 HB1 ALA 23 HB1 ALA 23 -7.549 -6.423 -2.866 179 HB2 ALA 23 HB2 ALA 23 -8.545 -6.339 -1.410 180 HB3 ALA 23 HB3 ALA 23 -8.094 -7.908 -2.082 181 H GLY 24 H GLY 24 -5.352 -8.982 -0.337 182 HA2 GLY 24 HA2 GLY 24 -3.197 -8.752 -2.263 183 HA3 GLY 24 HA3 GLY 24 -3.321 -9.934 -0.965 184 H GLN 25 H GLN 25 -2.598 -10.591 -3.539 185 HA GLN 25 HA GLN 25 -4.787 -11.567 -5.072 186 HB2 GLN 25 HB2 GLN 25 -2.941 -13.037 -6.142 187 HB3 GLN 25 HB3 GLN 25 -2.895 -11.297 -6.363 188 HG2 GLN 25 HG2 GLN 25 -0.690 -12.384 -5.889 189 HG3 GLN 25 HG3 GLN 25 -1.120 -11.048 -4.827 190 HE21 GLN 25 HE21 GLN 25 -0.986 -14.534 -5.063 191 HE22 GLN 25 HE22 GLN 25 -0.791 -14.827 -3.371 192 H ASP 26 H ASP 26 -3.480 -12.585 -2.217 193 HA ASP 26 HA ASP 26 -3.938 -15.397 -2.389 194 HB2 ASP 26 HB2 ASP 26 -2.385 -14.363 -0.757 195 HB3 ASP 26 HB3 ASP 26 -3.749 -13.589 0.037 196 H GLY 27 H GLY 27 -5.927 -12.677 -2.117 197 HA2 GLY 27 HA2 GLY 27 -8.298 -12.780 -2.280 198 HA3 GLY 27 HA3 GLY 27 -8.256 -14.377 -1.548 199 H SER 28 H SER 28 -6.270 -12.316 0.091 200 HA SER 28 HA SER 28 -8.306 -11.896 2.169 201 HB2 SER 28 HB2 SER 28 -6.392 -13.409 2.755 202 HB3 SER 28 HB3 SER 28 -5.304 -12.039 2.535 203 HG SER 28 HG SER 28 -7.060 -12.606 4.602 204 H VAL 29 H VAL 29 -7.787 -9.960 3.592 205 HA VAL 29 HA VAL 29 -6.573 -7.831 2.035 206 HB VAL 29 HB VAL 29 -9.003 -7.854 1.525 207 HG11 VAL 29 HG11 VAL 29 -9.281 -7.225 4.461 208 HG12 VAL 29 HG12 VAL 29 -9.935 -8.622 3.602 209 HG13 VAL 29 HG13 VAL 29 -10.570 -7.008 3.279 210 HG21 VAL 29 HG21 VAL 29 -8.031 -5.423 3.027 211 HG22 VAL 29 HG22 VAL 29 -9.372 -5.449 1.879 212 HG23 VAL 29 HG23 VAL 29 -7.730 -5.789 1.328 213 H VAL 30 H VAL 30 -5.602 -6.278 3.251 214 HA VAL 30 HA VAL 30 -5.631 -6.701 6.146 215 HB VAL 30 HB VAL 30 -3.410 -6.844 5.058 216 HG11 VAL 30 HG11 VAL 30 -2.365 -4.864 4.090 217 HG12 VAL 30 HG12 VAL 30 -3.886 -3.987 4.257 218 HG13 VAL 30 HG13 VAL 30 -3.787 -5.379 3.181 219 HG21 VAL 30 HG21 VAL 30 -3.848 -4.498 6.889 220 HG22 VAL 30 HG22 VAL 30 -2.255 -5.084 6.431 221 HG23 VAL 30 HG23 VAL 30 -3.355 -6.137 7.324 222 H GLN 31 H GLN 31 -6.184 -5.023 7.554 223 HA GLN 31 HA GLN 31 -7.085 -2.549 6.277 224 HB2 GLN 31 HB2 GLN 31 -7.986 -3.613 8.922 225 HB3 GLN 31 HB3 GLN 31 -8.736 -2.361 7.944 226 HG2 GLN 31 HG2 GLN 31 -9.213 -4.054 6.210 227 HG3 GLN 31 HG3 GLN 31 -8.597 -5.289 7.303 228 HE21 GLN 31 HE21 GLN 31 -11.124 -3.041 6.657 229 HE22 GLN 31 HE22 GLN 31 -12.248 -3.716 7.772 230 H PHE 32 H PHE 32 -6.039 -0.843 6.786 231 HA PHE 32 HA PHE 32 -4.557 -0.588 9.293 232 HB2 PHE 32 HB2 PHE 32 -2.498 0.086 8.086 233 HB3 PHE 32 HB3 PHE 32 -2.893 -1.625 7.901 234 HD1 PHE 32 HD1 PHE 32 -4.253 -2.235 5.759 235 HD2 PHE 32 HD2 PHE 32 -2.016 1.355 6.204 236 HE1 PHE 32 HE1 PHE 32 -4.215 -1.963 3.329 237 HE2 PHE 32 HE2 PHE 32 -1.972 1.629 3.791 238 HZ PHE 32 HZ PHE 32 -3.068 -0.026 2.337 239 H LYS 33 H LYS 33 -3.462 1.592 9.393 240 HA LYS 33 HA LYS 33 -5.259 3.562 8.162 241 HB2 LYS 33 HB2 LYS 33 -3.870 3.819 10.823 242 HB3 LYS 33 HB3 LYS 33 -5.063 4.913 10.132 243 HG2 LYS 33 HG2 LYS 33 -6.663 2.973 10.133 244 HG3 LYS 33 HG3 LYS 33 -5.477 2.121 11.103 245 HD2 LYS 33 HD2 LYS 33 -6.597 4.802 11.890 246 HD3 LYS 33 HD3 LYS 33 -7.302 3.269 12.407 247 HE2 LYS 33 HE2 LYS 33 -4.474 4.167 12.920 248 HE3 LYS 33 HE3 LYS 33 -5.792 4.209 14.085 249 HZ1 LYS 33 HZ1 LYS 33 -4.788 1.722 12.797 250 HZ2 LYS 33 HZ2 LYS 33 -5.956 1.829 14.013 251 HZ3 LYS 33 HZ3 LYS 33 -4.357 2.252 14.343 252 H ILE 34 H ILE 34 -4.432 5.461 7.360 253 HA ILE 34 HA ILE 34 -1.574 5.958 7.516 254 HB ILE 34 HB ILE 34 -1.719 4.481 5.577 255 HG12 ILE 34 HG12 ILE 34 -1.388 7.344 4.652 256 HG13 ILE 34 HG13 ILE 34 -0.152 6.406 5.482 257 HG21 ILE 34 HG21 ILE 34 -3.057 5.066 3.602 258 HG22 ILE 34 HG22 ILE 34 -3.760 6.415 4.495 259 HG23 ILE 34 HG23 ILE 34 -4.053 4.758 5.025 260 HD11 ILE 34 HD11 ILE 34 -0.082 4.840 3.624 261 HD12 ILE 34 HD12 ILE 34 0.231 6.488 3.082 262 HD13 ILE 34 HD13 ILE 34 -1.346 5.751 2.798 263 H LYS 35 H LYS 35 -1.032 8.142 7.076 264 HA LYS 35 HA LYS 35 -3.250 9.956 7.419 265 HB2 LYS 35 HB2 LYS 35 -0.371 10.712 7.044 266 HB3 LYS 35 HB3 LYS 35 -1.646 11.671 7.782 267 HG2 LYS 35 HG2 LYS 35 -1.728 9.614 9.442 268 HG3 LYS 35 HG3 LYS 35 -0.068 9.432 8.883 269 HD2 LYS 35 HD2 LYS 35 -1.185 12.004 9.983 270 HD3 LYS 35 HD3 LYS 35 -0.269 10.832 10.931 271 HE2 LYS 35 HE2 LYS 35 1.668 11.146 9.548 272 HE3 LYS 35 HE3 LYS 35 0.761 12.160 8.431 273 HZ1 LYS 35 HZ1 LYS 35 2.213 13.361 10.048 274 HZ2 LYS 35 HZ2 LYS 35 1.160 12.876 11.284 275 HZ3 LYS 35 HZ3 LYS 35 0.602 13.855 10.025 276 H ARG 36 H ARG 36 -3.655 11.795 6.108 277 HA ARG 36 HA ARG 36 -3.883 11.206 3.411 278 HB2 ARG 36 HB2 ARG 36 -3.913 13.972 4.617 279 HB3 ARG 36 HB3 ARG 36 -4.745 13.442 3.172 280 HG2 ARG 36 HG2 ARG 36 -5.411 12.863 6.035 281 HG3 ARG 36 HG3 ARG 36 -6.411 13.618 4.797 282 HD2 ARG 36 HD2 ARG 36 -5.585 10.722 4.952 283 HD3 ARG 36 HD3 ARG 36 -7.195 11.356 5.245 284 HE ARG 36 HE ARG 36 -5.855 11.083 2.654 285 HH11 ARG 36 HH11 ARG 36 -8.751 11.981 4.430 286 HH12 ARG 36 HH12 ARG 36 -9.786 11.847 3.060 287 HH21 ARG 36 HH21 ARG 36 -7.256 10.910 0.818 288 HH22 ARG 36 HH22 ARG 36 -8.937 11.250 1.007 289 H HIS 37 H HIS 37 -1.488 13.121 5.153 290 HA HIS 37 HA HIS 37 -0.086 13.764 2.673 291 HB2 HIS 37 HB2 HIS 37 0.157 14.693 5.510 292 HB3 HIS 37 HB3 HIS 37 1.476 14.962 4.378 293 HD1 HIS 37 HD1 HIS 37 1.370 17.231 3.434 294 HD2 HIS 37 HD2 HIS 37 -2.422 15.695 4.137 295 HE1 HIS 37 HE1 HIS 37 -0.230 19.015 2.682 296 HE2 HIS 37 HE2 HIS 37 -2.513 17.972 2.933 297 H THR 38 H THR 38 -0.220 11.089 4.280 298 HA THR 38 HA THR 38 2.635 10.644 4.568 299 HB THR 38 HB THR 38 0.216 9.076 5.475 300 HG1 THR 38 HG1 THR 38 2.386 9.779 7.098 301 HG21 THR 38 HG21 THR 38 1.760 7.387 6.354 302 HG22 THR 38 HG22 THR 38 3.123 8.236 5.616 303 HG23 THR 38 HG23 THR 38 1.893 7.491 4.596 304 HA PRO 39 HA PRO 39 2.740 8.860 0.515 305 HB2 PRO 39 HB2 PRO 39 5.119 7.562 0.774 306 HB3 PRO 39 HB3 PRO 39 4.988 9.302 0.480 307 HG2 PRO 39 HG2 PRO 39 5.456 7.829 3.041 308 HG3 PRO 39 HG3 PRO 39 6.218 9.313 2.447 309 HD2 PRO 39 HD2 PRO 39 4.259 9.348 4.283 310 HD3 PRO 39 HD3 PRO 39 4.429 10.631 3.072 311 H LEU 40 H LEU 40 2.372 6.907 -0.509 312 HA LEU 40 HA LEU 40 1.200 4.812 0.906 313 HB2 LEU 40 HB2 LEU 40 2.288 4.942 -1.897 314 HB3 LEU 40 HB3 LEU 40 1.324 3.615 -1.290 315 HG LEU 40 HG LEU 40 0.379 6.463 -1.440 316 HD11 LEU 40 HD11 LEU 40 -0.949 5.727 -3.369 317 HD12 LEU 40 HD12 LEU 40 -0.123 4.168 -3.313 318 HD13 LEU 40 HD13 LEU 40 0.787 5.636 -3.671 319 HD21 LEU 40 HD21 LEU 40 -1.142 3.913 -1.019 320 HD22 LEU 40 HD22 LEU 40 -1.823 5.538 -1.079 321 HD23 LEU 40 HD23 LEU 40 -0.749 5.083 0.244 322 H SER 41 H SER 41 4.471 5.505 0.469 323 HA SER 41 HA SER 41 5.736 3.077 0.201 324 HB2 SER 41 HB2 SER 41 6.774 5.392 0.378 325 HB3 SER 41 HB3 SER 41 6.636 5.226 2.123 326 HG SER 41 HG SER 41 8.289 3.841 0.313 327 HH31 ALY 42 HH31 ALY 42 0.566 0.296 9.127 328 HH32 ALY 42 HH32 ALY 42 -0.943 1.159 9.486 329 HH33 ALY 42 HH33 ALY 42 0.209 0.771 10.781 330 HZ ALY 42 HZ ALY 42 -0.085 2.746 7.773 331 HE3 ALY 42 HE3 ALY 42 1.803 4.617 8.154 332 HE2 ALY 42 HE2 ALY 42 2.754 3.161 7.861 333 HD3 ALY 42 HD3 ALY 42 1.566 2.851 5.715 334 HD2 ALY 42 HD2 ALY 42 0.682 4.347 6.012 335 HG3 ALY 42 HG3 ALY 42 2.543 4.754 4.496 336 HG2 ALY 42 HG2 ALY 42 2.821 5.584 6.021 337 HB3 ALY 42 HB3 ALY 42 4.878 4.656 5.679 338 HB2 ALY 42 HB2 ALY 42 4.121 3.385 6.613 339 HCA ALY 42 HCA ALY 42 5.293 2.336 4.819 340 H ALY 42 H ALY 42 4.473 4.532 3.215 341 H LEU 43 H LEU 43 2.417 3.144 3.029 342 HA LEU 43 HA LEU 43 0.683 1.176 4.040 343 HB2 LEU 43 HB2 LEU 43 -0.295 2.906 2.764 344 HB3 LEU 43 HB3 LEU 43 0.833 2.697 1.446 345 HG LEU 43 HG LEU 43 -1.122 0.505 2.041 346 HD11 LEU 43 HD11 LEU 43 -1.720 3.082 0.604 347 HD12 LEU 43 HD12 LEU 43 -2.566 2.416 1.999 348 HD13 LEU 43 HD13 LEU 43 -2.677 1.618 0.428 349 HD21 LEU 43 HD21 LEU 43 0.613 0.146 0.360 350 HD22 LEU 43 HD22 LEU 43 0.102 1.613 -0.492 351 HD23 LEU 43 HD23 LEU 43 -0.982 0.217 -0.399 352 H MET 44 H MET 44 2.871 1.143 1.255 353 HA MET 44 HA MET 44 2.359 -1.505 0.451 354 HB2 MET 44 HB2 MET 44 4.612 0.419 -0.002 355 HB3 MET 44 HB3 MET 44 4.761 -1.249 -0.535 356 HG2 MET 44 HG2 MET 44 3.161 -1.042 -2.127 357 HG3 MET 44 HG3 MET 44 2.333 0.291 -1.339 358 HE1 MET 44 HE1 MET 44 2.088 1.592 -3.582 359 HE2 MET 44 HE2 MET 44 2.826 0.231 -4.427 360 HE3 MET 44 HE3 MET 44 3.408 1.870 -4.717 361 H LYS 45 H LYS 45 4.686 -0.126 2.705 362 HA LYS 45 HA LYS 45 6.040 -2.552 3.216 363 HB2 LYS 45 HB2 LYS 45 7.054 -0.394 3.745 364 HB3 LYS 45 HB3 LYS 45 5.786 -0.063 4.913 365 HG2 LYS 45 HG2 LYS 45 7.867 -0.741 5.989 366 HG3 LYS 45 HG3 LYS 45 6.569 -1.890 6.322 367 HD2 LYS 45 HD2 LYS 45 8.598 -3.103 5.859 368 HD3 LYS 45 HD3 LYS 45 7.483 -3.339 4.516 369 HE2 LYS 45 HE2 LYS 45 9.774 -2.923 3.728 370 HE3 LYS 45 HE3 LYS 45 8.669 -1.656 3.208 371 HZ1 LYS 45 HZ1 LYS 45 10.733 -0.725 3.985 372 HZ2 LYS 45 HZ2 LYS 45 10.569 -1.486 5.483 373 HZ3 LYS 45 HZ3 LYS 45 9.486 -0.268 5.030 374 H ALA 46 H ALA 46 3.353 -0.897 4.821 375 HA ALA 46 HA ALA 46 3.020 -2.551 7.017 376 HB1 ALA 46 HB1 ALA 46 1.795 -0.442 6.686 377 HB2 ALA 46 HB2 ALA 46 0.719 -1.776 7.105 378 HB3 ALA 46 HB3 ALA 46 0.824 -1.219 5.435 379 H TYR 47 H TYR 47 1.409 -2.842 3.839 380 HA TYR 47 HA TYR 47 0.102 -5.250 4.400 381 HB2 TYR 47 HB2 TYR 47 -0.632 -4.038 2.512 382 HB3 TYR 47 HB3 TYR 47 0.981 -3.986 1.803 383 HD1 TYR 47 HD1 TYR 47 -1.988 -6.048 2.394 384 HD2 TYR 47 HD2 TYR 47 1.842 -5.884 0.576 385 HE1 TYR 47 HE1 TYR 47 -2.525 -8.067 1.119 386 HE2 TYR 47 HE2 TYR 47 1.323 -7.902 -0.721 387 HH TYR 47 HH TYR 47 -0.185 -9.860 -0.561 388 H CYS 48 H CYS 48 3.252 -4.565 3.054 389 HA CYS 48 HA CYS 48 4.077 -7.145 2.358 390 HB2 CYS 48 HB2 CYS 48 5.553 -5.608 1.542 391 HB3 CYS 48 HB3 CYS 48 5.429 -4.567 2.952 392 HG CYS 48 HG CYS 48 7.185 -7.495 2.965 393 H GLU 49 H GLU 49 4.276 -5.453 5.433 394 HA GLU 49 HA GLU 49 5.805 -7.458 6.738 395 HB2 GLU 49 HB2 GLU 49 4.028 -5.368 7.973 396 HB3 GLU 49 HB3 GLU 49 5.319 -6.246 8.783 397 HG2 GLU 49 HG2 GLU 49 6.833 -5.180 6.964 398 HG3 GLU 49 HG3 GLU 49 5.479 -4.093 6.730 399 H ARG 50 H ARG 50 2.357 -6.702 6.595 400 HA ARG 50 HA ARG 50 1.481 -8.577 8.527 401 HB2 ARG 50 HB2 ARG 50 -0.082 -7.545 6.157 402 HB3 ARG 50 HB3 ARG 50 -0.742 -8.223 7.638 403 HG2 ARG 50 HG2 ARG 50 0.841 -5.675 7.451 404 HG3 ARG 50 HG3 ARG 50 -0.914 -5.788 7.527 405 HD2 ARG 50 HD2 ARG 50 -0.816 -6.766 9.709 406 HD3 ARG 50 HD3 ARG 50 0.941 -6.872 9.630 407 HE ARG 50 HE ARG 50 1.046 -4.493 9.785 408 HH11 ARG 50 HH11 ARG 50 -2.144 -5.853 10.393 409 HH12 ARG 50 HH12 ARG 50 -2.695 -4.473 11.278 410 HH21 ARG 50 HH21 ARG 50 0.308 -2.680 10.972 411 HH22 ARG 50 HH22 ARG 50 -1.303 -2.674 11.612 412 H GLN 51 H GLN 51 1.544 -8.741 5.002 413 HA GLN 51 HA GLN 51 0.607 -11.448 4.975 414 HB2 GLN 51 HB2 GLN 51 1.283 -9.422 2.942 415 HB3 GLN 51 HB3 GLN 51 1.489 -11.096 2.451 416 HG2 GLN 51 HG2 GLN 51 -0.705 -10.285 1.832 417 HG3 GLN 51 HG3 GLN 51 -0.830 -11.573 3.023 418 HE21 GLN 51 HE21 GLN 51 0.030 -8.249 3.776 419 HE22 GLN 51 HE22 GLN 51 -1.415 -7.889 4.655 420 H GLY 52 H GLY 52 3.689 -10.071 5.360 421 HA2 GLY 52 HA2 GLY 52 5.729 -11.102 5.637 422 HA3 GLY 52 HA3 GLY 52 4.881 -12.642 5.568 423 H LEU 53 H LEU 53 5.608 -9.983 3.369 424 HA LEU 53 HA LEU 53 6.829 -11.805 1.510 425 HB2 LEU 53 HB2 LEU 53 5.393 -10.968 -0.408 426 HB3 LEU 53 HB3 LEU 53 4.650 -12.117 0.679 427 HG LEU 53 HG LEU 53 3.530 -10.137 1.809 428 HD11 LEU 53 HD11 LEU 53 3.319 -8.098 0.496 429 HD12 LEU 53 HD12 LEU 53 4.478 -8.735 -0.677 430 HD13 LEU 53 HD13 LEU 53 4.992 -8.390 0.974 431 HD21 LEU 53 HD21 LEU 53 2.351 -11.644 0.300 432 HD22 LEU 53 HD22 LEU 53 2.891 -10.696 -1.086 433 HD23 LEU 53 HD23 LEU 53 1.792 -9.984 0.096 434 H SER 54 H SER 54 7.454 -10.415 -0.553 435 HA SER 54 HA SER 54 8.778 -8.064 0.559 436 HB2 SER 54 HB2 SER 54 9.321 -9.687 -1.924 437 HB3 SER 54 HB3 SER 54 10.267 -8.291 -1.424 438 HG SER 54 HG SER 54 9.882 -10.681 0.066 439 H MET 55 H MET 55 8.231 -6.059 -0.038 440 HA MET 55 HA MET 55 6.001 -5.511 -1.672 441 HB2 MET 55 HB2 MET 55 6.736 -3.114 -1.524 442 HB3 MET 55 HB3 MET 55 6.546 -3.925 0.023 443 HG2 MET 55 HG2 MET 55 8.768 -3.846 0.499 444 HG3 MET 55 HG3 MET 55 9.254 -3.910 -1.197 445 HE1 MET 55 HE1 MET 55 7.639 -1.700 1.596 446 HE2 MET 55 HE2 MET 55 6.560 -1.388 0.240 447 HE3 MET 55 HE3 MET 55 7.611 -0.107 0.843 448 H ARG 56 H ARG 56 9.273 -6.023 -2.493 449 HA ARG 56 HA ARG 56 9.180 -4.607 -5.009 450 HB2 ARG 56 HB2 ARG 56 11.412 -5.502 -5.363 451 HB3 ARG 56 HB3 ARG 56 11.274 -4.802 -3.759 452 HG2 ARG 56 HG2 ARG 56 11.020 -7.022 -2.799 453 HG3 ARG 56 HG3 ARG 56 11.144 -7.735 -4.406 454 HD2 ARG 56 HD2 ARG 56 13.268 -7.889 -3.287 455 HD3 ARG 56 HD3 ARG 56 13.384 -6.756 -4.634 456 HE ARG 56 HE ARG 56 12.872 -5.093 -2.631 457 HH11 ARG 56 HH11 ARG 56 15.104 -7.795 -2.758 458 HH12 ARG 56 HH12 ARG 56 16.248 -7.057 -1.695 459 HH21 ARG 56 HH21 ARG 56 14.363 -4.130 -1.209 460 HH22 ARG 56 HH22 ARG 56 15.829 -4.956 -0.823 461 H GLN 57 H GLN 57 8.188 -7.636 -3.871 462 HA GLN 57 HA GLN 57 8.385 -8.903 -6.516 463 HB2 GLN 57 HB2 GLN 57 7.517 -10.085 -3.876 464 HB3 GLN 57 HB3 GLN 57 7.831 -10.970 -5.364 465 HG2 GLN 57 HG2 GLN 57 9.903 -9.360 -3.908 466 HG3 GLN 57 HG3 GLN 57 9.631 -11.080 -3.645 467 HE21 GLN 57 HE21 GLN 57 10.744 -8.659 -5.890 468 HE22 GLN 57 HE22 GLN 57 11.581 -9.739 -6.938 469 H ILE 58 H ILE 58 6.361 -6.872 -5.125 470 HA ILE 58 HA ILE 58 4.006 -8.095 -6.345 471 HB ILE 58 HB ILE 58 2.604 -7.199 -4.491 472 HG12 ILE 58 HG12 ILE 58 5.200 -6.936 -2.995 473 HG13 ILE 58 HG13 ILE 58 4.368 -5.573 -3.735 474 HG21 ILE 58 HG21 ILE 58 4.676 -9.182 -3.575 475 HG22 ILE 58 HG22 ILE 58 3.288 -9.564 -4.588 476 HG23 ILE 58 HG23 ILE 58 3.042 -8.993 -2.935 477 HD11 ILE 58 HD11 ILE 58 3.903 -5.747 -1.344 478 HD12 ILE 58 HD12 ILE 58 3.240 -7.362 -1.598 479 HD13 ILE 58 HD13 ILE 58 2.442 -5.960 -2.308 480 H ARG 59 H ARG 59 2.236 -6.420 -6.443 481 HA ARG 59 HA ARG 59 3.223 -3.709 -6.780 482 HB2 ARG 59 HB2 ARG 59 2.112 -5.384 -8.999 483 HB3 ARG 59 HB3 ARG 59 1.905 -3.639 -9.014 484 HG2 ARG 59 HG2 ARG 59 4.549 -5.075 -8.874 485 HG3 ARG 59 HG3 ARG 59 3.842 -4.365 -10.328 486 HD2 ARG 59 HD2 ARG 59 4.498 -2.826 -7.817 487 HD3 ARG 59 HD3 ARG 59 5.535 -2.911 -9.227 488 HE ARG 59 HE ARG 59 3.355 -2.010 -10.361 489 HH11 ARG 59 HH11 ARG 59 4.700 -1.054 -7.254 490 HH12 ARG 59 HH12 ARG 59 4.140 0.578 -7.379 491 HH21 ARG 59 HH21 ARG 59 2.629 0.136 -10.529 492 HH22 ARG 59 HH22 ARG 59 2.963 1.279 -9.272 493 H PHE 60 H PHE 60 1.673 -2.114 -6.742 494 HA PHE 60 HA PHE 60 -0.916 -3.002 -5.650 495 HB2 PHE 60 HB2 PHE 60 0.690 -0.497 -4.991 496 HB3 PHE 60 HB3 PHE 60 -0.961 -0.772 -4.481 497 HD1 PHE 60 HD1 PHE 60 2.313 -2.564 -4.400 498 HD2 PHE 60 HD2 PHE 60 -1.256 -1.493 -2.358 499 HE1 PHE 60 HE1 PHE 60 3.145 -3.668 -2.369 500 HE2 PHE 60 HE2 PHE 60 -0.426 -2.599 -0.326 501 HZ PHE 60 HZ PHE 60 1.772 -3.693 -0.334 502 H ARG 61 H ARG 61 -2.703 -2.393 -6.682 503 HA ARG 61 HA ARG 61 -2.565 -0.037 -8.412 504 HB2 ARG 61 HB2 ARG 61 -3.742 -1.133 -10.237 505 HB3 ARG 61 HB3 ARG 61 -2.274 -2.004 -9.836 506 HG2 ARG 61 HG2 ARG 61 -3.545 -3.812 -9.931 507 HG3 ARG 61 HG3 ARG 61 -4.054 -3.308 -8.328 508 HD2 ARG 61 HD2 ARG 61 -6.039 -2.317 -9.197 509 HD3 ARG 61 HD3 ARG 61 -5.451 -2.458 -10.856 510 HE ARG 61 HE ARG 61 -5.800 -4.935 -9.344 511 HH11 ARG 61 HH11 ARG 61 -7.097 -2.761 -11.795 512 HH12 ARG 61 HH12 ARG 61 -8.116 -3.965 -12.492 513 HH21 ARG 61 HH21 ARG 61 -7.136 -6.506 -10.268 514 HH22 ARG 61 HH22 ARG 61 -8.145 -6.109 -11.622 515 H PHE 62 H PHE 62 -4.207 1.289 -8.307 516 HA PHE 62 HA PHE 62 -6.606 0.466 -6.816 517 HB2 PHE 62 HB2 PHE 62 -5.227 1.808 -5.344 518 HB3 PHE 62 HB3 PHE 62 -4.985 3.010 -6.599 519 HD1 PHE 62 HD1 PHE 62 -7.527 1.524 -4.377 520 HD2 PHE 62 HD2 PHE 62 -6.466 4.796 -6.873 521 HE1 PHE 62 HE1 PHE 62 -9.458 2.791 -3.533 522 HE2 PHE 62 HE2 PHE 62 -8.397 6.069 -6.040 523 HZ PHE 62 HZ PHE 62 -9.897 5.065 -4.364 524 H ASP 63 H ASP 63 -8.505 1.124 -7.732 525 HA ASP 63 HA ASP 63 -9.966 1.944 -9.315 526 HB2 ASP 63 HB2 ASP 63 -8.793 4.086 -8.339 527 HB3 ASP 63 HB3 ASP 63 -8.083 4.171 -9.927 528 H GLY 64 H GLY 64 -7.965 0.064 -10.247 529 HA2 GLY 64 HA2 GLY 64 -7.346 -0.773 -12.273 530 HA3 GLY 64 HA3 GLY 64 -8.150 0.612 -13.002 531 H GLN 65 H GLN 65 -6.030 1.983 -10.886 532 HA GLN 65 HA GLN 65 -3.944 2.046 -12.951 533 HB2 GLN 65 HB2 GLN 65 -3.517 4.422 -12.261 534 HB3 GLN 65 HB3 GLN 65 -5.053 4.154 -13.069 535 HG2 GLN 65 HG2 GLN 65 -6.166 4.142 -10.878 536 HG3 GLN 65 HG3 GLN 65 -4.626 4.505 -10.108 537 HE21 GLN 65 HE21 GLN 65 -7.164 5.669 -12.108 538 HE22 GLN 65 HE22 GLN 65 -6.770 7.351 -12.018 539 HA PRO 66 HA PRO 66 -1.247 0.687 -9.742 540 HB2 PRO 66 HB2 PRO 66 1.109 1.303 -10.940 541 HB3 PRO 66 HB3 PRO 66 0.115 -0.069 -11.437 542 HG2 PRO 66 HG2 PRO 66 0.287 2.666 -12.651 543 HG3 PRO 66 HG3 PRO 66 0.279 1.086 -13.457 544 HD2 PRO 66 HD2 PRO 66 -1.948 2.614 -13.288 545 HD3 PRO 66 HD3 PRO 66 -2.010 0.838 -13.222 546 H ILE 67 H ILE 67 0.050 1.548 -8.103 547 HA ILE 67 HA ILE 67 0.469 4.458 -8.177 548 HB ILE 67 HB ILE 67 -0.003 4.564 -5.720 549 HG12 ILE 67 HG12 ILE 67 -0.010 1.970 -5.504 550 HG13 ILE 67 HG13 ILE 67 -1.146 2.902 -4.541 551 HG21 ILE 67 HG21 ILE 67 -1.523 5.533 -7.291 552 HG22 ILE 67 HG22 ILE 67 -2.434 4.786 -5.981 553 HG23 ILE 67 HG23 ILE 67 -2.317 3.980 -7.546 554 HD11 ILE 67 HD11 ILE 67 -2.193 0.931 -5.475 555 HD12 ILE 67 HD12 ILE 67 -1.761 1.453 -7.103 556 HD13 ILE 67 HD13 ILE 67 -2.911 2.392 -6.150 557 H ASN 68 H ASN 68 2.189 5.223 -7.310 558 HA ASN 68 HA ASN 68 4.270 3.345 -6.550 559 HB2 ASN 68 HB2 ASN 68 5.553 5.691 -6.618 560 HB3 ASN 68 HB3 ASN 68 5.237 4.743 -8.067 561 HD21 ASN 68 HD21 ASN 68 4.276 7.512 -6.205 562 HD22 ASN 68 HD22 ASN 68 3.344 8.291 -7.432 563 H GLU 69 H GLU 69 5.567 3.711 -4.687 564 HA GLU 69 HA GLU 69 4.082 4.242 -2.362 565 HB2 GLU 69 HB2 GLU 69 6.391 4.169 -1.271 566 HB3 GLU 69 HB3 GLU 69 5.833 2.728 -2.111 567 HG2 GLU 69 HG2 GLU 69 7.271 3.053 -3.877 568 HG3 GLU 69 HG3 GLU 69 7.555 4.752 -3.485 569 H THR 70 H THR 70 5.739 6.318 -4.462 570 HA THR 70 HA THR 70 6.336 8.373 -2.549 571 HB THR 70 HB THR 70 6.955 9.698 -4.565 572 HG1 THR 70 HG1 THR 70 6.703 8.784 -6.576 573 HG21 THR 70 HG21 THR 70 8.580 8.189 -3.489 574 HG22 THR 70 HG22 THR 70 8.833 8.284 -5.233 575 HG23 THR 70 HG23 THR 70 8.025 6.879 -4.533 576 H ASP 71 H ASP 71 3.524 7.336 -3.993 577 HA ASP 71 HA ASP 71 2.354 10.010 -4.165 578 HB2 ASP 71 HB2 ASP 71 1.800 7.504 -5.443 579 HB3 ASP 71 HB3 ASP 71 0.350 8.044 -4.603 580 H THR 72 H THR 72 0.305 10.456 -3.062 581 HA THR 72 HA THR 72 0.201 9.109 -0.448 582 HB THR 72 HB THR 72 -0.716 11.343 0.372 583 HG1 THR 72 HG1 THR 72 0.055 13.134 -1.020 584 HG21 THR 72 HG21 THR 72 2.128 11.236 -0.649 585 HG22 THR 72 HG22 THR 72 1.550 10.643 0.910 586 HG23 THR 72 HG23 THR 72 1.526 12.371 0.561 587 HA PRO 73 HA PRO 73 -4.018 8.082 -1.254 588 HB2 PRO 73 HB2 PRO 73 -5.147 8.444 1.230 589 HB3 PRO 73 HB3 PRO 73 -4.195 7.030 0.771 590 HG2 PRO 73 HG2 PRO 73 -3.362 9.461 2.298 591 HG3 PRO 73 HG3 PRO 73 -2.948 7.761 2.582 592 HD2 PRO 73 HD2 PRO 73 -1.235 9.465 1.417 593 HD3 PRO 73 HD3 PRO 73 -1.314 7.756 0.947 594 H ALA 74 H ALA 74 -3.152 11.193 -0.131 595 HA ALA 74 HA ALA 74 -5.845 12.260 -0.535 596 HB1 ALA 74 HB1 ALA 74 -3.365 13.705 0.365 597 HB2 ALA 74 HB2 ALA 74 -4.544 12.952 1.433 598 HB3 ALA 74 HB3 ALA 74 -5.025 14.307 0.412 599 H GLN 75 H GLN 75 -2.835 11.924 -2.124 600 HA GLN 75 HA GLN 75 -2.911 14.213 -3.764 601 HB2 GLN 75 HB2 GLN 75 -0.961 12.651 -3.244 602 HB3 GLN 75 HB3 GLN 75 -1.612 11.613 -4.503 603 HG2 GLN 75 HG2 GLN 75 -1.234 13.238 -6.169 604 HG3 GLN 75 HG3 GLN 75 -0.922 14.493 -4.972 605 HE21 GLN 75 HE21 GLN 75 0.707 12.750 -3.293 606 HE22 GLN 75 HE22 GLN 75 2.214 12.567 -4.118 607 H LEU 76 H LEU 76 -4.281 11.010 -4.078 608 HA LEU 76 HA LEU 76 -5.473 11.843 -6.615 609 HB2 LEU 76 HB2 LEU 76 -6.163 9.308 -6.697 610 HB3 LEU 76 HB3 LEU 76 -4.568 9.816 -7.190 611 HG LEU 76 HG LEU 76 -4.686 7.690 -5.839 612 HD11 LEU 76 HD11 LEU 76 -2.727 8.204 -4.466 613 HD12 LEU 76 HD12 LEU 76 -3.002 9.926 -4.727 614 HD13 LEU 76 HD13 LEU 76 -2.597 8.880 -6.090 615 HD21 LEU 76 HD21 LEU 76 -5.369 9.612 -3.627 616 HD22 LEU 76 HD22 LEU 76 -4.834 7.953 -3.380 617 HD23 LEU 76 HD23 LEU 76 -6.356 8.273 -4.213 618 H GLU 77 H GLU 77 -6.123 11.876 -3.471 619 HA GLU 77 HA GLU 77 -7.942 12.136 -2.173 620 HB2 GLU 77 HB2 GLU 77 -9.316 12.785 -4.780 621 HB3 GLU 77 HB3 GLU 77 -9.867 13.240 -3.176 622 HG2 GLU 77 HG2 GLU 77 -7.996 14.691 -2.868 623 HG3 GLU 77 HG3 GLU 77 -7.249 14.119 -4.358 624 H MET 78 H MET 78 -7.603 9.573 -2.299 625 HA MET 78 HA MET 78 -9.864 8.166 -3.368 626 HB2 MET 78 HB2 MET 78 -8.944 6.217 -2.071 627 HB3 MET 78 HB3 MET 78 -7.839 6.919 -3.241 628 HG2 MET 78 HG2 MET 78 -6.616 8.026 -1.505 629 HG3 MET 78 HG3 MET 78 -7.803 7.535 -0.301 630 HE1 MET 78 HE1 MET 78 -6.712 5.141 -3.186 631 HE2 MET 78 HE2 MET 78 -5.278 4.365 -2.520 632 HE3 MET 78 HE3 MET 78 -5.227 6.067 -2.972 633 H GLU 79 H GLU 79 -11.046 6.612 -1.783 634 HA GLU 79 HA GLU 79 -12.349 8.349 0.159 635 HB2 GLU 79 HB2 GLU 79 -13.526 6.933 -1.641 636 HB3 GLU 79 HB3 GLU 79 -13.164 5.561 -0.606 637 HG2 GLU 79 HG2 GLU 79 -15.408 6.323 -0.216 638 HG3 GLU 79 HG3 GLU 79 -14.414 6.624 1.211 639 H ASP 80 H ASP 80 -12.804 7.574 2.350 640 HA ASP 80 HA ASP 80 -10.595 6.192 3.488 641 HB2 ASP 80 HB2 ASP 80 -11.791 6.358 5.636 642 HB3 ASP 80 HB3 ASP 80 -11.718 7.910 4.806 643 H GLU 81 H GLU 81 -10.412 4.211 4.286 644 HA GLU 81 HA GLU 81 -10.714 2.029 4.638 645 HB2 GLU 81 HB2 GLU 81 -13.674 2.587 4.362 646 HB3 GLU 81 HB3 GLU 81 -12.967 1.095 4.965 647 HG2 GLU 81 HG2 GLU 81 -11.902 2.452 6.790 648 HG3 GLU 81 HG3 GLU 81 -12.858 3.818 6.231 649 H ASP 82 H ASP 82 -10.660 3.377 1.916 650 HA ASP 82 HA ASP 82 -11.970 1.636 0.107 651 HB2 ASP 82 HB2 ASP 82 -10.733 4.035 -0.141 652 HB3 ASP 82 HB3 ASP 82 -9.501 2.967 -0.803 653 H THR 83 H THR 83 -10.437 0.515 -1.655 654 HA THR 83 HA THR 83 -8.449 -1.053 -0.172 655 HB THR 83 HB THR 83 -10.168 -2.467 -2.155 656 HG1 THR 83 HG1 THR 83 -11.097 -1.240 0.106 657 HG21 THR 83 HG21 THR 83 -9.784 -4.332 -0.614 658 HG22 THR 83 HG22 THR 83 -8.976 -3.243 0.514 659 HG23 THR 83 HG23 THR 83 -8.253 -3.577 -1.063 660 H ILE 84 H ILE 84 -6.826 -2.025 -1.429 661 HA ILE 84 HA ILE 84 -6.519 -1.026 -4.183 662 HB ILE 84 HB ILE 84 -4.425 -1.236 -1.990 663 HG12 ILE 84 HG12 ILE 84 -3.966 1.172 -2.819 664 HG13 ILE 84 HG13 ILE 84 -5.542 1.049 -3.588 665 HG21 ILE 84 HG21 ILE 84 -3.421 -2.164 -3.960 666 HG22 ILE 84 HG22 ILE 84 -2.751 -0.559 -3.664 667 HG23 ILE 84 HG23 ILE 84 -3.957 -0.790 -4.929 668 HD11 ILE 84 HD11 ILE 84 -4.976 0.771 -0.656 669 HD12 ILE 84 HD12 ILE 84 -6.556 0.610 -1.425 670 HD13 ILE 84 HD13 ILE 84 -5.711 2.161 -1.461 671 H ASP 85 H ASP 85 -5.567 -2.536 -5.649 672 HA ASP 85 HA ASP 85 -5.806 -5.317 -4.761 673 HB2 ASP 85 HB2 ASP 85 -6.900 -4.529 -6.873 674 HB3 ASP 85 HB3 ASP 85 -5.278 -4.242 -7.506 675 H VAL 86 H VAL 86 -4.147 -6.664 -4.586 676 HA VAL 86 HA VAL 86 -1.527 -5.699 -5.454 677 HB VAL 86 HB VAL 86 -2.335 -6.993 -2.883 678 HG11 VAL 86 HG11 VAL 86 -0.702 -8.570 -3.828 679 HG12 VAL 86 HG12 VAL 86 -0.034 -7.697 -2.450 680 HG13 VAL 86 HG13 VAL 86 0.427 -7.239 -4.091 681 HG21 VAL 86 HG21 VAL 86 -0.734 -5.390 -1.999 682 HG22 VAL 86 HG22 VAL 86 -1.941 -4.604 -3.016 683 HG23 VAL 86 HG23 VAL 86 -0.319 -4.899 -3.640 684 H PHE 87 H PHE 87 -0.297 -6.983 -6.551 685 HA PHE 87 HA PHE 87 -1.051 -9.774 -6.888 686 HB2 PHE 87 HB2 PHE 87 -0.501 -9.465 -9.402 687 HB3 PHE 87 HB3 PHE 87 -2.086 -8.965 -8.819 688 HD1 PHE 87 HD1 PHE 87 -2.319 -6.452 -8.196 689 HD2 PHE 87 HD2 PHE 87 0.769 -8.002 -10.682 690 HE1 PHE 87 HE1 PHE 87 -1.981 -4.225 -9.132 691 HE2 PHE 87 HE2 PHE 87 1.114 -5.757 -11.643 692 HZ PHE 87 HZ PHE 87 -0.263 -3.866 -10.871 693 H GLN 88 H GLN 88 0.683 -11.130 -7.432 694 HA GLN 88 HA GLN 88 3.255 -9.858 -6.785 695 HB2 GLN 88 HB2 GLN 88 2.794 -12.824 -6.655 696 HB3 GLN 88 HB3 GLN 88 4.023 -11.869 -5.845 697 HG2 GLN 88 HG2 GLN 88 1.869 -10.818 -4.676 698 HG3 GLN 88 HG3 GLN 88 1.209 -12.392 -5.095 699 HE21 GLN 88 HE21 GLN 88 4.526 -11.598 -4.164 700 HE22 GLN 88 HE22 GLN 88 4.540 -12.585 -2.748 701 H GLN 89 H GLN 89 4.327 -9.417 -8.563 702 HA GLN 89 HA GLN 89 4.046 -11.001 -10.925 703 HB2 GLN 89 HB2 GLN 89 6.008 -8.774 -10.344 704 HB3 GLN 89 HB3 GLN 89 5.635 -9.441 -11.930 705 HG2 GLN 89 HG2 GLN 89 3.338 -8.656 -11.740 706 HG3 GLN 89 HG3 GLN 89 3.678 -8.023 -10.132 707 HE21 GLN 89 HE21 GLN 89 2.723 -6.633 -12.470 708 HE22 GLN 89 HE22 GLN 89 3.871 -5.389 -12.811 709 H GLN 90 H GLN 90 4.657 -12.984 -9.814 710 HA GLN 90 HA GLN 90 7.335 -13.485 -9.030 711 HB2 GLN 90 HB2 GLN 90 6.710 -15.821 -8.908 712 HB3 GLN 90 HB3 GLN 90 5.421 -14.841 -8.236 713 HG2 GLN 90 HG2 GLN 90 5.367 -15.910 -11.051 714 HG3 GLN 90 HG3 GLN 90 4.729 -16.801 -9.673 715 HE21 GLN 90 HE21 GLN 90 4.270 -14.130 -11.824 716 HE22 GLN 90 HE22 GLN 90 2.660 -13.744 -11.328 717 H THR 91 H THR 91 8.161 -15.774 -10.250 718 HA THR 91 HA THR 91 8.288 -15.251 -13.098 719 HB THR 91 HB THR 91 10.788 -15.351 -11.391 720 HG1 THR 91 HG1 THR 91 9.201 -13.286 -12.344 721 HG21 THR 91 HG21 THR 91 11.070 -16.348 -13.630 722 HG22 THR 91 HG22 THR 91 11.964 -14.835 -13.478 723 HG23 THR 91 HG23 THR 91 10.440 -14.871 -14.359 724 H GLY 92 H GLY 92 7.779 -17.167 -13.912 725 HA2 GLY 92 HA2 GLY 92 8.680 -19.604 -12.533 726 HA3 GLY 92 HA3 GLY 92 7.368 -19.515 -13.702 727 H GLY 93 H GLY 93 9.870 -21.184 -13.562 728 HA2 GLY 93 HA2 GLY 93 10.807 -20.523 -16.271 729 HA3 GLY 93 HA3 GLY 93 11.939 -20.976 -15.003 Start of MODEL 6 1 H MET 1 H MET 1 1.854 10.198 20.531 2 HA MET 1 HA MET 1 2.939 8.121 20.771 3 HB2 MET 1 HB2 MET 1 4.767 9.634 22.646 4 HB3 MET 1 HB3 MET 1 4.725 7.880 22.521 5 HG2 MET 1 HG2 MET 1 5.471 9.811 20.339 6 HG3 MET 1 HG3 MET 1 6.570 8.782 21.254 7 HE1 MET 1 HE1 MET 1 6.505 8.883 18.057 8 HE2 MET 1 HE2 MET 1 6.646 7.164 17.688 9 HE3 MET 1 HE3 MET 1 7.603 7.868 18.992 10 H ALA 2 H ALA 2 0.806 9.867 21.998 11 HA ALA 2 HA ALA 2 0.486 8.373 24.511 12 HB1 ALA 2 HB1 ALA 2 0.725 10.795 24.849 13 HB2 ALA 2 HB2 ALA 2 -0.866 10.213 25.332 14 HB3 ALA 2 HB3 ALA 2 -0.666 11.067 23.802 15 H ASP 3 H ASP 3 -1.695 7.739 25.044 16 HA ASP 3 HA ASP 3 -3.223 6.994 22.663 17 HB2 ASP 3 HB2 ASP 3 -4.367 5.404 24.070 18 HB3 ASP 3 HB3 ASP 3 -2.649 5.282 24.429 19 H GLU 4 H GLU 4 -3.221 9.651 23.396 20 HA GLU 4 HA GLU 4 -6.038 9.954 24.088 21 HB2 GLU 4 HB2 GLU 4 -5.525 12.074 25.160 22 HB3 GLU 4 HB3 GLU 4 -4.659 10.758 25.932 23 HG2 GLU 4 HG2 GLU 4 -2.628 11.388 24.769 24 HG3 GLU 4 HG3 GLU 4 -3.488 12.692 23.948 25 H LYS 5 H LYS 5 -6.323 12.436 23.570 26 HA LYS 5 HA LYS 5 -5.314 13.490 21.208 27 HB2 LYS 5 HB2 LYS 5 -6.326 11.521 20.113 28 HB3 LYS 5 HB3 LYS 5 -7.911 12.038 20.680 29 HG2 LYS 5 HG2 LYS 5 -7.879 13.965 19.324 30 HG3 LYS 5 HG3 LYS 5 -6.162 13.777 18.972 31 HD2 LYS 5 HD2 LYS 5 -6.690 11.674 17.778 32 HD3 LYS 5 HD3 LYS 5 -8.407 11.996 18.048 33 HE2 LYS 5 HE2 LYS 5 -8.322 13.982 16.749 34 HE3 LYS 5 HE3 LYS 5 -6.564 13.936 16.677 35 HZ1 LYS 5 HZ1 LYS 5 -7.282 13.179 14.633 36 HZ2 LYS 5 HZ2 LYS 5 -8.505 12.202 15.284 37 HZ3 LYS 5 HZ3 LYS 5 -6.879 11.756 15.463 38 HA PRO 6 HA PRO 6 -7.971 16.433 23.421 39 HB2 PRO 6 HB2 PRO 6 -5.745 18.249 22.902 40 HB3 PRO 6 HB3 PRO 6 -6.443 17.764 24.448 41 HG2 PRO 6 HG2 PRO 6 -3.973 16.997 23.628 42 HG3 PRO 6 HG3 PRO 6 -4.981 16.028 24.717 43 HD2 PRO 6 HD2 PRO 6 -4.480 15.688 21.788 44 HD3 PRO 6 HD3 PRO 6 -4.670 14.453 23.054 45 H LYS 7 H LYS 7 -8.738 18.503 22.618 46 HA LYS 7 HA LYS 7 -8.745 18.513 19.666 47 HB2 LYS 7 HB2 LYS 7 -10.861 19.500 19.696 48 HB3 LYS 7 HB3 LYS 7 -10.924 18.419 21.077 49 HG2 LYS 7 HG2 LYS 7 -10.295 20.421 22.497 50 HG3 LYS 7 HG3 LYS 7 -10.606 21.405 21.067 51 HD2 LYS 7 HD2 LYS 7 -12.623 21.443 22.263 52 HD3 LYS 7 HD3 LYS 7 -12.885 20.253 20.988 53 HE2 LYS 7 HE2 LYS 7 -13.731 19.389 23.074 54 HE3 LYS 7 HE3 LYS 7 -12.312 18.462 22.589 55 HZ1 LYS 7 HZ1 LYS 7 -11.007 19.951 24.118 56 HZ2 LYS 7 HZ2 LYS 7 -12.092 18.909 24.878 57 HZ3 LYS 7 HZ3 LYS 7 -12.483 20.543 24.694 58 H GLU 8 H GLU 8 -7.453 20.021 22.321 59 HA GLU 8 HA GLU 8 -7.222 22.674 21.220 60 HB2 GLU 8 HB2 GLU 8 -5.875 21.423 23.631 61 HB3 GLU 8 HB3 GLU 8 -5.890 23.133 23.237 62 HG2 GLU 8 HG2 GLU 8 -7.469 22.793 24.979 63 HG3 GLU 8 HG3 GLU 8 -8.381 23.097 23.505 64 H GLY 9 H GLY 9 -5.710 19.755 20.774 65 HA2 GLY 9 HA2 GLY 9 -3.004 20.665 20.459 66 HA3 GLY 9 HA3 GLY 9 -3.635 19.085 20.020 67 H VAL 10 H VAL 10 -5.520 19.612 18.178 68 HA VAL 10 HA VAL 10 -4.144 21.193 16.133 69 HB VAL 10 HB VAL 10 -3.594 18.823 15.738 70 HG11 VAL 10 HG11 VAL 10 -5.523 17.758 16.756 71 HG12 VAL 10 HG12 VAL 10 -5.330 17.214 15.088 72 HG13 VAL 10 HG13 VAL 10 -6.569 18.400 15.489 73 HG21 VAL 10 HG21 VAL 10 -5.508 19.968 13.704 74 HG22 VAL 10 HG22 VAL 10 -4.356 18.670 13.397 75 HG23 VAL 10 HG23 VAL 10 -3.775 20.285 13.811 76 H LYS 11 H LYS 11 -5.454 22.488 14.955 77 HA LYS 11 HA LYS 11 -8.301 22.290 15.520 78 HB2 LYS 11 HB2 LYS 11 -7.214 24.482 15.855 79 HB3 LYS 11 HB3 LYS 11 -6.787 24.512 14.150 80 HG2 LYS 11 HG2 LYS 11 -8.751 25.896 14.607 81 HG3 LYS 11 HG3 LYS 11 -9.144 24.550 13.537 82 HD2 LYS 11 HD2 LYS 11 -9.476 24.013 16.407 83 HD3 LYS 11 HD3 LYS 11 -10.578 25.218 15.745 84 HE2 LYS 11 HE2 LYS 11 -10.169 22.438 14.622 85 HE3 LYS 11 HE3 LYS 11 -11.472 22.884 15.719 86 HZ1 LYS 11 HZ1 LYS 11 -11.037 23.975 12.982 87 HZ2 LYS 11 HZ2 LYS 11 -12.244 24.476 14.047 88 HZ3 LYS 11 HZ3 LYS 11 -12.250 22.898 13.462 89 H THR 12 H THR 12 -8.736 20.552 14.242 90 HA THR 12 HA THR 12 -9.386 21.167 11.551 91 HB THR 12 HB THR 12 -6.837 20.593 11.640 92 HG1 THR 12 HG1 THR 12 -8.392 19.140 9.724 93 HG21 THR 12 HG21 THR 12 -7.017 18.523 12.932 94 HG22 THR 12 HG22 THR 12 -6.337 18.196 11.337 95 HG23 THR 12 HG23 THR 12 -8.025 17.809 11.672 96 H GLU 13 H GLU 13 -10.048 18.830 10.486 97 HA GLU 13 HA GLU 13 -12.180 17.835 11.902 98 HB2 GLU 13 HB2 GLU 13 -12.103 15.940 10.317 99 HB3 GLU 13 HB3 GLU 13 -11.945 17.506 9.529 100 HG2 GLU 13 HG2 GLU 13 -9.402 16.271 10.279 101 HG3 GLU 13 HG3 GLU 13 -10.330 15.363 9.082 102 H ASN 14 H ASN 14 -12.557 15.906 13.002 103 HA ASN 14 HA ASN 14 -10.596 15.027 14.814 104 HB2 ASN 14 HB2 ASN 14 -13.197 13.706 13.996 105 HB3 ASN 14 HB3 ASN 14 -12.212 13.200 15.364 106 HD21 ASN 14 HD21 ASN 14 -14.408 15.569 14.133 107 HD22 ASN 14 HD22 ASN 14 -14.658 16.412 15.618 108 H ASN 15 H ASN 15 -11.367 14.055 11.618 109 HA ASN 15 HA ASN 15 -9.761 11.645 11.872 110 HB2 ASN 15 HB2 ASN 15 -10.550 11.400 9.370 111 HB3 ASN 15 HB3 ASN 15 -11.616 10.976 10.703 112 HD21 ASN 15 HD21 ASN 15 -10.874 13.415 8.319 113 HD22 ASN 15 HD22 ASN 15 -12.431 14.158 8.340 114 H ASP 16 H ASP 16 -7.799 12.768 12.133 115 HA ASP 16 HA ASP 16 -6.622 14.522 10.254 116 HB2 ASP 16 HB2 ASP 16 -5.323 12.524 12.123 117 HB3 ASP 16 HB3 ASP 16 -4.434 13.721 11.195 118 H HIS 17 H HIS 17 -6.897 11.083 10.429 119 HA HIS 17 HA HIS 17 -5.657 10.820 7.799 120 HB2 HIS 17 HB2 HIS 17 -4.417 8.863 8.503 121 HB3 HIS 17 HB3 HIS 17 -3.987 10.211 9.554 122 HD1 HIS 17 HD1 HIS 17 -4.906 10.084 12.035 123 HD2 HIS 17 HD2 HIS 17 -5.480 6.702 9.718 124 HE1 HIS 17 HE1 HIS 17 -5.654 8.301 13.637 125 HE2 HIS 17 HE2 HIS 17 -6.361 6.416 12.129 126 H ILE 18 H ILE 18 -6.096 8.407 7.051 127 HA ILE 18 HA ILE 18 -8.796 7.687 7.923 128 HB ILE 18 HB ILE 18 -9.406 7.142 5.603 129 HG12 ILE 18 HG12 ILE 18 -7.015 8.801 4.741 130 HG13 ILE 18 HG13 ILE 18 -6.974 7.038 4.792 131 HG21 ILE 18 HG21 ILE 18 -10.178 9.190 6.599 132 HG22 ILE 18 HG22 ILE 18 -9.789 9.487 4.903 133 HG23 ILE 18 HG23 ILE 18 -8.675 10.006 6.168 134 HD11 ILE 18 HD11 ILE 18 -8.874 8.699 3.148 135 HD12 ILE 18 HD12 ILE 18 -8.744 6.939 3.141 136 HD13 ILE 18 HD13 ILE 18 -7.407 7.925 2.549 137 H ASN 19 H ASN 19 -9.424 5.520 7.026 138 HA ASN 19 HA ASN 19 -7.195 3.700 7.503 139 HB2 ASN 19 HB2 ASN 19 -10.145 3.050 7.393 140 HB3 ASN 19 HB3 ASN 19 -8.856 2.028 8.012 141 HD21 ASN 19 HD21 ASN 19 -10.932 4.704 8.634 142 HD22 ASN 19 HD22 ASN 19 -10.555 4.896 10.299 143 H LEU 20 H LEU 20 -6.579 2.234 6.020 144 HA LEU 20 HA LEU 20 -8.072 2.127 3.471 145 HB2 LEU 20 HB2 LEU 20 -5.235 2.769 3.961 146 HB3 LEU 20 HB3 LEU 20 -5.510 1.586 2.703 147 HG LEU 20 HG LEU 20 -5.330 3.722 1.668 148 HD11 LEU 20 HD11 LEU 20 -7.432 3.931 0.520 149 HD12 LEU 20 HD12 LEU 20 -8.261 3.044 1.793 150 HD13 LEU 20 HD13 LEU 20 -7.069 2.226 0.783 151 HD21 LEU 20 HD21 LEU 20 -7.466 4.671 3.563 152 HD22 LEU 20 HD22 LEU 20 -6.773 5.605 2.238 153 HD23 LEU 20 HD23 LEU 20 -5.763 5.122 3.600 154 H LYS 21 H LYS 21 -7.567 0.166 2.226 155 HA LYS 21 HA LYS 21 -6.704 -2.084 3.898 156 HB2 LYS 21 HB2 LYS 21 -9.130 -1.952 2.128 157 HB3 LYS 21 HB3 LYS 21 -8.505 -3.437 2.827 158 HG2 LYS 21 HG2 LYS 21 -8.966 -2.684 5.020 159 HG3 LYS 21 HG3 LYS 21 -9.379 -1.071 4.440 160 HD2 LYS 21 HD2 LYS 21 -11.415 -2.306 4.943 161 HD3 LYS 21 HD3 LYS 21 -11.289 -2.038 3.205 162 HE2 LYS 21 HE2 LYS 21 -10.538 -4.296 2.856 163 HE3 LYS 21 HE3 LYS 21 -10.459 -4.584 4.594 164 HZ1 LYS 21 HZ1 LYS 21 -12.941 -3.997 3.073 165 HZ2 LYS 21 HZ2 LYS 21 -12.846 -4.360 4.718 166 HZ3 LYS 21 HZ3 LYS 21 -12.449 -5.530 3.574 167 H VAL 22 H VAL 22 -5.690 -3.711 2.794 168 HA VAL 22 HA VAL 22 -5.252 -3.254 -0.086 169 HB VAL 22 HB VAL 22 -3.172 -4.190 1.911 170 HG11 VAL 22 HG11 VAL 22 -3.015 -4.016 -1.082 171 HG12 VAL 22 HG12 VAL 22 -3.049 -5.497 -0.124 172 HG13 VAL 22 HG13 VAL 22 -1.679 -4.394 0.005 173 HG21 VAL 22 HG21 VAL 22 -1.941 -2.232 1.243 174 HG22 VAL 22 HG22 VAL 22 -3.561 -1.724 1.723 175 HG23 VAL 22 HG23 VAL 22 -3.145 -1.844 0.017 176 H ALA 23 H ALA 23 -6.087 -4.815 -1.195 177 HA ALA 23 HA ALA 23 -6.551 -7.425 0.035 178 HB1 ALA 23 HB1 ALA 23 -7.957 -7.877 -1.904 179 HB2 ALA 23 HB2 ALA 23 -7.482 -6.336 -2.624 180 HB3 ALA 23 HB3 ALA 23 -8.426 -6.361 -1.134 181 H GLY 24 H GLY 24 -5.268 -9.044 -0.317 182 HA2 GLY 24 HA2 GLY 24 -3.099 -8.722 -2.203 183 HA3 GLY 24 HA3 GLY 24 -3.274 -10.015 -1.020 184 H GLN 25 H GLN 25 -2.572 -10.459 -3.698 185 HA GLN 25 HA GLN 25 -4.792 -11.182 -5.275 186 HB2 GLN 25 HB2 GLN 25 -3.028 -12.701 -6.446 187 HB3 GLN 25 HB3 GLN 25 -2.905 -10.956 -6.565 188 HG2 GLN 25 HG2 GLN 25 -0.742 -12.133 -6.178 189 HG3 GLN 25 HG3 GLN 25 -1.125 -10.891 -4.991 190 HE21 GLN 25 HE21 GLN 25 -1.142 -14.331 -5.569 191 HE22 GLN 25 HE22 GLN 25 -0.947 -14.807 -3.923 192 H ASP 26 H ASP 26 -3.476 -12.655 -2.552 193 HA ASP 26 HA ASP 26 -4.352 -15.328 -3.141 194 HB2 ASP 26 HB2 ASP 26 -2.480 -14.757 -1.544 195 HB3 ASP 26 HB3 ASP 26 -3.701 -14.154 -0.430 196 H GLY 27 H GLY 27 -5.867 -12.463 -2.222 197 HA2 GLY 27 HA2 GLY 27 -8.247 -12.304 -2.140 198 HA3 GLY 27 HA3 GLY 27 -8.310 -13.953 -1.542 199 H SER 28 H SER 28 -5.945 -12.314 0.092 200 HA SER 28 HA SER 28 -7.689 -12.004 2.406 201 HB2 SER 28 HB2 SER 28 -5.555 -13.326 2.586 202 HB3 SER 28 HB3 SER 28 -4.672 -11.824 2.313 203 HG SER 28 HG SER 28 -5.756 -12.773 4.583 204 H VAL 29 H VAL 29 -7.308 -10.093 3.786 205 HA VAL 29 HA VAL 29 -6.307 -7.829 2.299 206 HB VAL 29 HB VAL 29 -8.748 -8.040 1.781 207 HG11 VAL 29 HG11 VAL 29 -10.362 -7.272 3.506 208 HG12 VAL 29 HG12 VAL 29 -9.065 -7.335 4.695 209 HG13 VAL 29 HG13 VAL 29 -9.601 -8.814 3.896 210 HG21 VAL 29 HG21 VAL 29 -9.246 -5.662 2.046 211 HG22 VAL 29 HG22 VAL 29 -7.576 -5.914 1.538 212 HG23 VAL 29 HG23 VAL 29 -7.935 -5.517 3.218 213 H VAL 30 H VAL 30 -5.394 -6.298 3.549 214 HA VAL 30 HA VAL 30 -5.534 -6.662 6.461 215 HB VAL 30 HB VAL 30 -3.406 -5.343 4.750 216 HG11 VAL 30 HG11 VAL 30 -2.131 -5.021 6.787 217 HG12 VAL 30 HG12 VAL 30 -3.425 -5.746 7.742 218 HG13 VAL 30 HG13 VAL 30 -3.690 -4.205 6.928 219 HG21 VAL 30 HG21 VAL 30 -1.985 -7.166 5.577 220 HG22 VAL 30 HG22 VAL 30 -3.347 -7.750 4.618 221 HG23 VAL 30 HG23 VAL 30 -3.387 -7.876 6.378 222 H GLN 31 H GLN 31 -6.157 -4.961 7.773 223 HA GLN 31 HA GLN 31 -7.016 -2.528 6.390 224 HB2 GLN 31 HB2 GLN 31 -7.956 -3.471 9.074 225 HB3 GLN 31 HB3 GLN 31 -8.714 -2.300 8.003 226 HG2 GLN 31 HG2 GLN 31 -9.081 -4.143 6.366 227 HG3 GLN 31 HG3 GLN 31 -8.512 -5.267 7.589 228 HE21 GLN 31 HE21 GLN 31 -11.036 -3.119 6.641 229 HE22 GLN 31 HE22 GLN 31 -12.208 -3.722 7.745 230 H PHE 32 H PHE 32 -6.093 -0.722 6.948 231 HA PHE 32 HA PHE 32 -4.547 -0.471 9.412 232 HB2 PHE 32 HB2 PHE 32 -2.527 0.268 8.164 233 HB3 PHE 32 HB3 PHE 32 -2.899 -1.443 7.957 234 HD1 PHE 32 HD1 PHE 32 -4.219 -2.097 5.856 235 HD2 PHE 32 HD2 PHE 32 -2.224 1.632 6.305 236 HE1 PHE 32 HE1 PHE 32 -4.264 -1.798 3.434 237 HE2 PHE 32 HE2 PHE 32 -2.256 1.941 3.880 238 HZ PHE 32 HZ PHE 32 -3.273 0.229 2.433 239 H LYS 33 H LYS 33 -3.520 1.697 9.544 240 HA LYS 33 HA LYS 33 -5.404 3.691 8.474 241 HB2 LYS 33 HB2 LYS 33 -3.750 3.994 10.962 242 HB3 LYS 33 HB3 LYS 33 -5.151 4.935 10.471 243 HG2 LYS 33 HG2 LYS 33 -6.522 2.860 10.698 244 HG3 LYS 33 HG3 LYS 33 -5.102 2.085 11.378 245 HD2 LYS 33 HD2 LYS 33 -6.467 4.521 12.510 246 HD3 LYS 33 HD3 LYS 33 -6.573 2.884 13.156 247 HE2 LYS 33 HE2 LYS 33 -4.107 2.915 13.487 248 HE3 LYS 33 HE3 LYS 33 -4.096 4.598 12.962 249 HZ1 LYS 33 HZ1 LYS 33 -4.109 4.486 15.341 250 HZ2 LYS 33 HZ2 LYS 33 -5.483 3.504 15.341 251 HZ3 LYS 33 HZ3 LYS 33 -5.597 5.107 14.826 252 H ILE 34 H ILE 34 -4.618 5.416 7.385 253 HA ILE 34 HA ILE 34 -1.779 6.028 7.530 254 HB ILE 34 HB ILE 34 -1.922 4.430 5.667 255 HG12 ILE 34 HG12 ILE 34 -1.563 7.232 4.586 256 HG13 ILE 34 HG13 ILE 34 -0.358 6.381 5.545 257 HG21 ILE 34 HG21 ILE 34 -3.914 6.344 4.472 258 HG22 ILE 34 HG22 ILE 34 -4.246 4.720 5.073 259 HG23 ILE 34 HG23 ILE 34 -3.221 4.943 3.653 260 HD11 ILE 34 HD11 ILE 34 0.130 6.291 3.156 261 HD12 ILE 34 HD12 ILE 34 -1.411 5.480 2.871 262 HD13 ILE 34 HD13 ILE 34 -0.156 4.686 3.825 263 H LYS 35 H LYS 35 -1.300 8.181 7.027 264 HA LYS 35 HA LYS 35 -3.569 9.956 7.238 265 HB2 LYS 35 HB2 LYS 35 -0.689 10.756 6.958 266 HB3 LYS 35 HB3 LYS 35 -2.009 11.697 7.643 267 HG2 LYS 35 HG2 LYS 35 -2.126 9.660 9.315 268 HG3 LYS 35 HG3 LYS 35 -0.447 9.473 8.818 269 HD2 LYS 35 HD2 LYS 35 -1.646 12.002 9.959 270 HD3 LYS 35 HD3 LYS 35 -0.613 10.873 10.832 271 HE2 LYS 35 HE2 LYS 35 0.196 12.409 8.361 272 HE3 LYS 35 HE3 LYS 35 0.596 12.875 10.012 273 HZ1 LYS 35 HZ1 LYS 35 1.438 10.353 8.680 274 HZ2 LYS 35 HZ2 LYS 35 1.844 10.825 10.253 275 HZ3 LYS 35 HZ3 LYS 35 2.415 11.711 8.931 276 H ARG 36 H ARG 36 -3.884 11.805 5.841 277 HA ARG 36 HA ARG 36 -4.046 11.026 3.161 278 HB2 ARG 36 HB2 ARG 36 -4.203 13.878 4.126 279 HB3 ARG 36 HB3 ARG 36 -5.032 13.152 2.764 280 HG2 ARG 36 HG2 ARG 36 -5.624 12.782 5.688 281 HG3 ARG 36 HG3 ARG 36 -6.646 13.517 4.456 282 HD2 ARG 36 HD2 ARG 36 -5.853 10.615 4.647 283 HD3 ARG 36 HD3 ARG 36 -7.435 11.282 5.027 284 HE ARG 36 HE ARG 36 -6.249 11.075 2.342 285 HH11 ARG 36 HH11 ARG 36 -9.081 11.572 4.364 286 HH12 ARG 36 HH12 ARG 36 -10.206 11.297 3.089 287 HH21 ARG 36 HH21 ARG 36 -7.768 10.759 0.616 288 HH22 ARG 36 HH22 ARG 36 -9.459 10.858 0.942 289 H HIS 37 H HIS 37 -1.728 12.946 4.949 290 HA HIS 37 HA HIS 37 -0.283 13.638 2.498 291 HB2 HIS 37 HB2 HIS 37 0.246 14.455 5.364 292 HB3 HIS 37 HB3 HIS 37 1.096 15.069 3.949 293 HD1 HIS 37 HD1 HIS 37 -0.751 16.670 6.084 294 HD2 HIS 37 HD2 HIS 37 -1.695 15.659 2.172 295 HE1 HIS 37 HE1 HIS 37 -2.532 18.295 5.380 296 HE2 HIS 37 HE2 HIS 37 -3.250 17.496 3.107 297 H THR 38 H THR 38 -0.431 10.998 4.250 298 HA THR 38 HA THR 38 2.410 10.574 4.607 299 HB THR 38 HB THR 38 -0.031 9.019 5.464 300 HG1 THR 38 HG1 THR 38 2.205 10.098 6.853 301 HG21 THR 38 HG21 THR 38 1.485 7.317 6.402 302 HG22 THR 38 HG22 THR 38 2.861 8.127 5.648 303 HG23 THR 38 HG23 THR 38 1.618 7.386 4.643 304 HA PRO 39 HA PRO 39 2.807 8.725 0.626 305 HB2 PRO 39 HB2 PRO 39 5.220 7.559 1.032 306 HB3 PRO 39 HB3 PRO 39 5.022 9.294 0.737 307 HG2 PRO 39 HG2 PRO 39 5.392 7.824 3.319 308 HG3 PRO 39 HG3 PRO 39 6.137 9.339 2.782 309 HD2 PRO 39 HD2 PRO 39 4.062 9.291 4.483 310 HD3 PRO 39 HD3 PRO 39 4.263 10.584 3.288 311 H LEU 40 H LEU 40 2.475 6.795 -0.376 312 HA LEU 40 HA LEU 40 1.421 4.620 0.942 313 HB2 LEU 40 HB2 LEU 40 2.326 5.265 -1.797 314 HB3 LEU 40 HB3 LEU 40 2.050 3.578 -1.412 315 HG LEU 40 HG LEU 40 -0.218 3.949 -0.972 316 HD11 LEU 40 HD11 LEU 40 -0.114 5.988 0.292 317 HD12 LEU 40 HD12 LEU 40 -1.301 6.133 -1.005 318 HD13 LEU 40 HD13 LEU 40 0.282 6.894 -1.168 319 HD21 LEU 40 HD21 LEU 40 0.340 3.824 -3.314 320 HD22 LEU 40 HD22 LEU 40 0.549 5.574 -3.368 321 HD23 LEU 40 HD23 LEU 40 -1.046 4.884 -3.064 322 H SER 41 H SER 41 4.694 5.443 0.618 323 HA SER 41 HA SER 41 5.966 3.011 0.309 324 HB2 SER 41 HB2 SER 41 7.757 4.114 1.821 325 HB3 SER 41 HB3 SER 41 7.347 4.916 0.305 326 HG SER 41 HG SER 41 7.011 6.571 1.554 327 HH31 ALY 42 HH31 ALY 42 0.475 0.585 9.345 328 HH32 ALY 42 HH32 ALY 42 -1.097 1.405 9.438 329 HH33 ALY 42 HH33 ALY 42 -0.082 1.227 10.884 330 HZ ALY 42 HZ ALY 42 -0.040 2.721 7.615 331 HE3 ALY 42 HE3 ALY 42 1.787 4.744 8.047 332 HE2 ALY 42 HE2 ALY 42 2.712 3.251 7.900 333 HD3 ALY 42 HD3 ALY 42 1.662 2.832 5.716 334 HD2 ALY 42 HD2 ALY 42 0.756 4.337 5.874 335 HG3 ALY 42 HG3 ALY 42 2.676 4.695 4.444 336 HG2 ALY 42 HG2 ALY 42 2.901 5.576 5.952 337 HB3 ALY 42 HB3 ALY 42 4.954 4.628 5.732 338 HB2 ALY 42 HB2 ALY 42 4.155 3.377 6.657 339 HCA ALY 42 HCA ALY 42 5.417 2.303 4.926 340 H ALY 42 H ALY 42 4.601 4.459 3.247 341 H LEU 43 H LEU 43 2.598 3.078 3.033 342 HA LEU 43 HA LEU 43 0.813 1.144 4.021 343 HB2 LEU 43 HB2 LEU 43 0.057 2.971 2.613 344 HB3 LEU 43 HB3 LEU 43 1.050 2.425 1.283 345 HG LEU 43 HG LEU 43 -1.161 0.675 2.328 346 HD11 LEU 43 HD11 LEU 43 -2.672 1.692 0.717 347 HD12 LEU 43 HD12 LEU 43 -1.445 2.885 0.298 348 HD13 LEU 43 HD13 LEU 43 -2.153 2.879 1.915 349 HD21 LEU 43 HD21 LEU 43 -1.194 -0.112 0.014 350 HD22 LEU 43 HD22 LEU 43 0.418 -0.271 0.714 351 HD23 LEU 43 HD23 LEU 43 0.067 1.048 -0.406 352 H MET 44 H MET 44 2.993 1.052 1.232 353 HA MET 44 HA MET 44 2.523 -1.578 0.450 354 HB2 MET 44 HB2 MET 44 4.769 0.353 0.077 355 HB3 MET 44 HB3 MET 44 5.023 -1.325 -0.371 356 HG2 MET 44 HG2 MET 44 3.413 -1.264 -2.015 357 HG3 MET 44 HG3 MET 44 2.668 0.217 -1.433 358 HE1 MET 44 HE1 MET 44 2.659 1.369 -3.748 359 HE2 MET 44 HE2 MET 44 3.219 -0.158 -4.434 360 HE3 MET 44 HE3 MET 44 4.023 1.356 -4.864 361 H LYS 45 H LYS 45 4.851 -0.235 2.736 362 HA LYS 45 HA LYS 45 6.136 -2.691 3.232 363 HB2 LYS 45 HB2 LYS 45 7.245 -0.586 3.736 364 HB3 LYS 45 HB3 LYS 45 6.008 -0.182 4.916 365 HG2 LYS 45 HG2 LYS 45 8.032 -0.940 6.010 366 HG3 LYS 45 HG3 LYS 45 6.711 -2.070 6.307 367 HD2 LYS 45 HD2 LYS 45 8.583 -3.413 5.830 368 HD3 LYS 45 HD3 LYS 45 7.638 -3.404 4.342 369 HE2 LYS 45 HE2 LYS 45 9.941 -3.103 3.757 370 HE3 LYS 45 HE3 LYS 45 9.112 -1.571 3.503 371 HZ1 LYS 45 HZ1 LYS 45 11.216 -1.217 4.610 372 HZ2 LYS 45 HZ2 LYS 45 10.783 -2.273 5.854 373 HZ3 LYS 45 HZ3 LYS 45 9.954 -0.822 5.664 374 H ALA 46 H ALA 46 3.483 -0.998 4.843 375 HA ALA 46 HA ALA 46 3.266 -2.622 7.104 376 HB1 ALA 46 HB1 ALA 46 0.983 -1.813 7.297 377 HB2 ALA 46 HB2 ALA 46 1.033 -1.229 5.632 378 HB3 ALA 46 HB3 ALA 46 2.077 -0.501 6.856 379 H TYR 47 H TYR 47 1.588 -2.920 3.964 380 HA TYR 47 HA TYR 47 0.229 -5.290 4.652 381 HB2 TYR 47 HB2 TYR 47 -0.626 -4.089 2.813 382 HB3 TYR 47 HB3 TYR 47 0.937 -4.023 2.009 383 HD1 TYR 47 HD1 TYR 47 -1.909 -6.209 2.866 384 HD2 TYR 47 HD2 TYR 47 1.679 -5.810 0.630 385 HE1 TYR 47 HE1 TYR 47 -2.486 -8.234 1.601 386 HE2 TYR 47 HE2 TYR 47 1.119 -7.822 -0.652 387 HH TYR 47 HH TYR 47 -0.254 -9.855 -0.388 388 H CYS 48 H CYS 48 3.387 -4.705 3.198 389 HA CYS 48 HA CYS 48 3.949 -7.363 2.422 390 HB2 CYS 48 HB2 CYS 48 5.399 -5.941 1.384 391 HB3 CYS 48 HB3 CYS 48 5.463 -4.828 2.748 392 HG CYS 48 HG CYS 48 7.093 -7.833 2.740 393 H GLU 49 H GLU 49 4.486 -5.561 5.364 394 HA GLU 49 HA GLU 49 6.041 -7.514 6.703 395 HB2 GLU 49 HB2 GLU 49 4.336 -5.248 7.715 396 HB3 GLU 49 HB3 GLU 49 5.380 -6.224 8.741 397 HG2 GLU 49 HG2 GLU 49 6.421 -4.793 6.342 398 HG3 GLU 49 HG3 GLU 49 6.266 -3.988 7.896 399 H ARG 50 H ARG 50 2.593 -6.903 6.482 400 HA ARG 50 HA ARG 50 1.838 -8.693 8.552 401 HB2 ARG 50 HB2 ARG 50 0.231 -7.650 6.233 402 HB3 ARG 50 HB3 ARG 50 -0.432 -8.488 7.631 403 HG2 ARG 50 HG2 ARG 50 1.088 -5.898 7.777 404 HG3 ARG 50 HG3 ARG 50 -0.668 -6.015 7.684 405 HD2 ARG 50 HD2 ARG 50 0.043 -5.697 9.964 406 HD3 ARG 50 HD3 ARG 50 -0.685 -7.288 9.785 407 HE ARG 50 HE ARG 50 1.426 -8.263 10.107 408 HH11 ARG 50 HH11 ARG 50 1.570 -4.762 10.341 409 HH12 ARG 50 HH12 ARG 50 3.134 -4.751 11.076 410 HH21 ARG 50 HH21 ARG 50 3.501 -8.237 11.076 411 HH22 ARG 50 HH22 ARG 50 4.242 -6.727 11.478 412 H GLN 51 H GLN 51 1.979 -8.986 5.048 413 HA GLN 51 HA GLN 51 1.079 -11.728 5.162 414 HB2 GLN 51 HB2 GLN 51 1.546 -9.757 3.055 415 HB3 GLN 51 HB3 GLN 51 2.037 -11.386 2.613 416 HG2 GLN 51 HG2 GLN 51 -0.245 -10.950 1.922 417 HG3 GLN 51 HG3 GLN 51 -0.185 -12.221 3.138 418 HE21 GLN 51 HE21 GLN 51 0.121 -8.790 3.826 419 HE22 GLN 51 HE22 GLN 51 -1.376 -8.658 4.676 420 H GLY 52 H GLY 52 4.108 -10.108 5.241 421 HA2 GLY 52 HA2 GLY 52 6.153 -11.064 5.788 422 HA3 GLY 52 HA3 GLY 52 5.442 -12.657 5.566 423 H LEU 53 H LEU 53 4.691 -10.792 2.941 424 HA LEU 53 HA LEU 53 6.674 -12.161 1.336 425 HB2 LEU 53 HB2 LEU 53 5.342 -11.256 -0.604 426 HB3 LEU 53 HB3 LEU 53 4.503 -12.374 0.444 427 HG LEU 53 HG LEU 53 3.422 -10.345 1.542 428 HD11 LEU 53 HD11 LEU 53 4.488 -8.951 -0.891 429 HD12 LEU 53 HD12 LEU 53 5.012 -8.674 0.773 430 HD13 LEU 53 HD13 LEU 53 3.358 -8.285 0.295 431 HD21 LEU 53 HD21 LEU 53 2.243 -11.781 -0.046 432 HD22 LEU 53 HD22 LEU 53 2.875 -10.822 -1.386 433 HD23 LEU 53 HD23 LEU 53 1.764 -10.094 -0.225 434 H SER 54 H SER 54 7.353 -10.734 -0.687 435 HA SER 54 HA SER 54 8.843 -8.501 0.449 436 HB2 SER 54 HB2 SER 54 9.067 -9.902 -2.217 437 HB3 SER 54 HB3 SER 54 10.194 -8.700 -1.602 438 HG SER 54 HG SER 54 10.939 -10.124 -0.143 439 H MET 55 H MET 55 8.271 -6.434 0.043 440 HA MET 55 HA MET 55 5.938 -5.777 -1.397 441 HB2 MET 55 HB2 MET 55 6.684 -3.397 -1.152 442 HB3 MET 55 HB3 MET 55 6.631 -4.298 0.355 443 HG2 MET 55 HG2 MET 55 8.866 -4.181 0.669 444 HG3 MET 55 HG3 MET 55 9.228 -4.240 -1.059 445 HE1 MET 55 HE1 MET 55 7.904 -1.988 1.881 446 HE2 MET 55 HE2 MET 55 6.674 -1.785 0.635 447 HE3 MET 55 HE3 MET 55 7.720 -0.432 1.071 448 H ARG 56 H ARG 56 9.254 -6.013 -2.378 449 HA ARG 56 HA ARG 56 8.930 -4.539 -4.815 450 HB2 ARG 56 HB2 ARG 56 11.158 -5.344 -5.361 451 HB3 ARG 56 HB3 ARG 56 11.078 -4.714 -3.724 452 HG2 ARG 56 HG2 ARG 56 10.893 -7.035 -2.893 453 HG3 ARG 56 HG3 ARG 56 11.158 -7.597 -4.546 454 HD2 ARG 56 HD2 ARG 56 13.217 -7.565 -3.187 455 HD3 ARG 56 HD3 ARG 56 13.298 -6.533 -4.617 456 HE ARG 56 HE ARG 56 12.817 -4.632 -3.098 457 HH11 ARG 56 HH11 ARG 56 14.273 -7.554 -1.795 458 HH12 ARG 56 HH12 ARG 56 14.962 -6.747 -0.435 459 HH21 ARG 56 HH21 ARG 56 13.749 -3.568 -1.318 460 HH22 ARG 56 HH22 ARG 56 14.668 -4.477 -0.164 461 H GLN 57 H GLN 57 7.939 -7.574 -3.853 462 HA GLN 57 HA GLN 57 8.113 -8.707 -6.549 463 HB2 GLN 57 HB2 GLN 57 7.325 -10.004 -3.945 464 HB3 GLN 57 HB3 GLN 57 7.505 -10.826 -5.491 465 HG2 GLN 57 HG2 GLN 57 9.711 -9.328 -4.126 466 HG3 GLN 57 HG3 GLN 57 9.434 -11.058 -3.933 467 HE21 GLN 57 HE21 GLN 57 10.397 -8.521 -6.097 468 HE22 GLN 57 HE22 GLN 57 11.154 -9.532 -7.272 469 H ILE 58 H ILE 58 6.087 -6.774 -5.034 470 HA ILE 58 HA ILE 58 3.748 -7.925 -6.372 471 HB ILE 58 HB ILE 58 2.352 -6.961 -4.533 472 HG12 ILE 58 HG12 ILE 58 4.954 -6.950 -3.018 473 HG13 ILE 58 HG13 ILE 58 4.157 -5.505 -3.643 474 HG21 ILE 58 HG21 ILE 58 4.196 -9.262 -4.031 475 HG22 ILE 58 HG22 ILE 58 2.498 -9.278 -4.558 476 HG23 ILE 58 HG23 ILE 58 2.909 -8.829 -2.905 477 HD11 ILE 58 HD11 ILE 58 3.016 -7.412 -1.621 478 HD12 ILE 58 HD12 ILE 58 2.232 -5.955 -2.232 479 HD13 ILE 58 HD13 ILE 58 3.707 -5.827 -1.272 480 H ARG 59 H ARG 59 2.037 -6.302 -6.585 481 HA ARG 59 HA ARG 59 3.057 -3.573 -6.890 482 HB2 ARG 59 HB2 ARG 59 1.477 -5.096 -8.952 483 HB3 ARG 59 HB3 ARG 59 1.847 -3.383 -9.033 484 HG2 ARG 59 HG2 ARG 59 3.785 -5.664 -9.085 485 HG3 ARG 59 HG3 ARG 59 3.378 -4.591 -10.435 486 HD2 ARG 59 HD2 ARG 59 4.277 -2.702 -8.987 487 HD3 ARG 59 HD3 ARG 59 4.840 -3.947 -7.890 488 HE ARG 59 HE ARG 59 5.784 -3.666 -10.665 489 HH11 ARG 59 HH11 ARG 59 6.267 -4.712 -7.339 490 HH12 ARG 59 HH12 ARG 59 7.896 -5.243 -7.605 491 HH21 ARG 59 HH21 ARG 59 7.951 -4.382 -11.015 492 HH22 ARG 59 HH22 ARG 59 8.855 -5.044 -9.702 493 H PHE 60 H PHE 60 1.461 -1.965 -6.885 494 HA PHE 60 HA PHE 60 -1.042 -2.807 -5.595 495 HB2 PHE 60 HB2 PHE 60 0.676 -0.360 -5.016 496 HB3 PHE 60 HB3 PHE 60 -0.943 -0.596 -4.385 497 HD1 PHE 60 HD1 PHE 60 2.329 -2.408 -4.581 498 HD2 PHE 60 HD2 PHE 60 -1.138 -1.457 -2.283 499 HE1 PHE 60 HE1 PHE 60 3.270 -3.607 -2.631 500 HE2 PHE 60 HE2 PHE 60 -0.193 -2.661 -0.353 501 HZ PHE 60 HZ PHE 60 2.008 -3.734 -0.535 502 H ARG 61 H ARG 61 -2.902 -2.079 -6.494 503 HA ARG 61 HA ARG 61 -2.751 0.194 -8.334 504 HB2 ARG 61 HB2 ARG 61 -4.021 -0.936 -10.069 505 HB3 ARG 61 HB3 ARG 61 -2.557 -1.830 -9.702 506 HG2 ARG 61 HG2 ARG 61 -3.881 -3.612 -9.665 507 HG3 ARG 61 HG3 ARG 61 -4.282 -3.027 -8.059 508 HD2 ARG 61 HD2 ARG 61 -6.270 -1.943 -8.894 509 HD3 ARG 61 HD3 ARG 61 -5.822 -2.327 -10.558 510 HE ARG 61 HE ARG 61 -5.939 -4.732 -9.165 511 HH11 ARG 61 HH11 ARG 61 -8.205 -2.208 -10.086 512 HH12 ARG 61 HH12 ARG 61 -9.553 -3.284 -10.150 513 HH21 ARG 61 HH21 ARG 61 -7.729 -6.123 -9.237 514 HH22 ARG 61 HH22 ARG 61 -9.288 -5.508 -9.674 515 H PHE 62 H PHE 62 -4.572 1.423 -8.528 516 HA PHE 62 HA PHE 62 -6.924 0.698 -6.951 517 HB2 PHE 62 HB2 PHE 62 -5.497 2.059 -5.478 518 HB3 PHE 62 HB3 PHE 62 -5.369 3.278 -6.736 519 HD1 PHE 62 HD1 PHE 62 -7.595 1.769 -4.235 520 HD2 PHE 62 HD2 PHE 62 -7.121 4.844 -7.149 521 HE1 PHE 62 HE1 PHE 62 -9.568 2.924 -3.339 522 HE2 PHE 62 HE2 PHE 62 -9.098 5.999 -6.252 523 HZ PHE 62 HZ PHE 62 -10.326 5.039 -4.346 524 H ASP 63 H ASP 63 -8.765 1.294 -7.978 525 HA ASP 63 HA ASP 63 -10.024 1.849 -9.851 526 HB2 ASP 63 HB2 ASP 63 -8.472 4.212 -9.076 527 HB3 ASP 63 HB3 ASP 63 -8.893 4.229 -10.779 528 H GLY 64 H GLY 64 -7.778 0.124 -10.255 529 HA2 GLY 64 HA2 GLY 64 -6.560 -0.809 -11.973 530 HA3 GLY 64 HA3 GLY 64 -7.235 0.422 -13.035 531 H GLN 65 H GLN 65 -6.374 2.476 -11.548 532 HA GLN 65 HA GLN 65 -3.781 2.852 -12.689 533 HB2 GLN 65 HB2 GLN 65 -3.628 5.115 -11.759 534 HB3 GLN 65 HB3 GLN 65 -5.143 4.825 -12.589 535 HG2 GLN 65 HG2 GLN 65 -6.098 4.357 -10.273 536 HG3 GLN 65 HG3 GLN 65 -4.626 5.114 -9.664 537 HE21 GLN 65 HE21 GLN 65 -7.453 5.547 -11.592 538 HE22 GLN 65 HE22 GLN 65 -7.516 7.277 -11.495 539 HA PRO 66 HA PRO 66 -1.366 1.030 -9.583 540 HB2 PRO 66 HB2 PRO 66 1.031 1.512 -10.758 541 HB3 PRO 66 HB3 PRO 66 -0.071 0.255 -11.328 542 HG2 PRO 66 HG2 PRO 66 0.353 3.015 -12.402 543 HG3 PRO 66 HG3 PRO 66 0.169 1.486 -13.281 544 HD2 PRO 66 HD2 PRO 66 -1.876 3.255 -12.973 545 HD3 PRO 66 HD3 PRO 66 -2.127 1.500 -13.072 546 H ILE 67 H ILE 67 -0.206 1.743 -7.878 547 HA ILE 67 HA ILE 67 0.454 4.602 -7.851 548 HB ILE 67 HB ILE 67 -0.113 4.582 -5.374 549 HG12 ILE 67 HG12 ILE 67 -0.403 1.983 -5.426 550 HG13 ILE 67 HG13 ILE 67 -1.482 2.943 -4.424 551 HG21 ILE 67 HG21 ILE 67 -2.362 4.373 -7.365 552 HG22 ILE 67 HG22 ILE 67 -1.411 5.812 -7.000 553 HG23 ILE 67 HG23 ILE 67 -2.467 5.119 -5.769 554 HD11 ILE 67 HD11 ILE 67 -2.120 1.857 -7.159 555 HD12 ILE 67 HD12 ILE 67 -3.212 2.788 -6.137 556 HD13 ILE 67 HD13 ILE 67 -2.672 1.189 -5.624 557 H ASN 68 H ASN 68 2.337 5.133 -7.124 558 HA ASN 68 HA ASN 68 4.120 2.983 -6.324 559 HB2 ASN 68 HB2 ASN 68 5.766 5.107 -6.449 560 HB3 ASN 68 HB3 ASN 68 5.330 4.155 -7.860 561 HD21 ASN 68 HD21 ASN 68 4.700 7.110 -6.109 562 HD22 ASN 68 HD22 ASN 68 3.967 7.958 -7.416 563 H GLU 69 H GLU 69 5.621 3.312 -4.565 564 HA GLU 69 HA GLU 69 4.348 3.861 -2.145 565 HB2 GLU 69 HB2 GLU 69 6.732 3.855 -1.228 566 HB3 GLU 69 HB3 GLU 69 6.181 2.405 -2.056 567 HG2 GLU 69 HG2 GLU 69 7.461 2.840 -3.916 568 HG3 GLU 69 HG3 GLU 69 7.703 4.537 -3.498 569 H THR 70 H THR 70 5.920 5.986 -4.317 570 HA THR 70 HA THR 70 6.472 8.004 -2.350 571 HB THR 70 HB THR 70 7.327 9.308 -4.227 572 HG1 THR 70 HG1 THR 70 6.210 8.908 -6.015 573 HG21 THR 70 HG21 THR 70 8.102 6.401 -4.394 574 HG22 THR 70 HG22 THR 70 8.758 7.572 -3.249 575 HG23 THR 70 HG23 THR 70 9.070 7.754 -4.976 576 H ASP 71 H ASP 71 3.611 6.998 -3.732 577 HA ASP 71 HA ASP 71 2.577 9.690 -4.139 578 HB2 ASP 71 HB2 ASP 71 1.628 6.931 -4.842 579 HB3 ASP 71 HB3 ASP 71 0.452 8.231 -4.709 580 H THR 72 H THR 72 0.523 10.238 -3.123 581 HA THR 72 HA THR 72 0.204 8.983 -0.478 582 HB THR 72 HB THR 72 -0.745 11.247 0.192 583 HG1 THR 72 HG1 THR 72 0.710 12.566 -1.708 584 HG21 THR 72 HG21 THR 72 2.144 11.055 -0.650 585 HG22 THR 72 HG22 THR 72 1.462 10.547 0.903 586 HG23 THR 72 HG23 THR 72 1.493 12.255 0.468 587 HA PRO 73 HA PRO 73 -4.002 8.017 -1.476 588 HB2 PRO 73 HB2 PRO 73 -5.246 8.407 0.925 589 HB3 PRO 73 HB3 PRO 73 -4.229 7.010 0.567 590 HG2 PRO 73 HG2 PRO 73 -3.541 9.518 2.042 591 HG3 PRO 73 HG3 PRO 73 -3.129 7.841 2.437 592 HD2 PRO 73 HD2 PRO 73 -1.362 9.513 1.296 593 HD3 PRO 73 HD3 PRO 73 -1.393 7.780 0.915 594 H ALA 74 H ALA 74 -3.138 11.156 -0.436 595 HA ALA 74 HA ALA 74 -5.812 12.247 -0.908 596 HB1 ALA 74 HB1 ALA 74 -4.973 14.314 -0.041 597 HB2 ALA 74 HB2 ALA 74 -3.315 13.719 -0.106 598 HB3 ALA 74 HB3 ALA 74 -4.459 13.010 1.029 599 H GLN 75 H GLN 75 -2.881 11.712 -2.526 600 HA GLN 75 HA GLN 75 -2.882 13.920 -4.291 601 HB2 GLN 75 HB2 GLN 75 -0.932 12.465 -3.806 602 HB3 GLN 75 HB3 GLN 75 -1.728 11.176 -4.695 603 HG2 GLN 75 HG2 GLN 75 -1.578 12.407 -6.739 604 HG3 GLN 75 HG3 GLN 75 -0.957 13.824 -5.888 605 HE21 GLN 75 HE21 GLN 75 -0.006 10.637 -5.004 606 HE22 GLN 75 HE22 GLN 75 1.613 10.716 -5.613 607 H LEU 76 H LEU 76 -4.423 10.786 -4.342 608 HA LEU 76 HA LEU 76 -5.648 11.502 -6.898 609 HB2 LEU 76 HB2 LEU 76 -6.296 8.973 -6.935 610 HB3 LEU 76 HB3 LEU 76 -4.691 9.471 -7.406 611 HG LEU 76 HG LEU 76 -4.850 7.368 -6.010 612 HD11 LEU 76 HD11 LEU 76 -2.894 7.882 -4.645 613 HD12 LEU 76 HD12 LEU 76 -3.162 9.606 -4.898 614 HD13 LEU 76 HD13 LEU 76 -2.748 8.568 -6.265 615 HD21 LEU 76 HD21 LEU 76 -5.580 9.357 -3.875 616 HD22 LEU 76 HD22 LEU 76 -4.999 7.728 -3.548 617 HD23 LEU 76 HD23 LEU 76 -6.517 7.963 -4.415 618 H GLU 77 H GLU 77 -6.249 11.772 -3.793 619 HA GLU 77 HA GLU 77 -8.037 11.936 -2.430 620 HB2 GLU 77 HB2 GLU 77 -9.233 12.710 -5.078 621 HB3 GLU 77 HB3 GLU 77 -10.108 12.857 -3.560 622 HG2 GLU 77 HG2 GLU 77 -7.451 14.161 -4.092 623 HG3 GLU 77 HG3 GLU 77 -9.006 14.950 -4.350 624 H MET 78 H MET 78 -7.683 9.386 -2.565 625 HA MET 78 HA MET 78 -9.906 7.932 -3.584 626 HB2 MET 78 HB2 MET 78 -9.019 6.064 -2.150 627 HB3 MET 78 HB3 MET 78 -7.885 6.716 -3.322 628 HG2 MET 78 HG2 MET 78 -6.738 7.944 -1.613 629 HG3 MET 78 HG3 MET 78 -7.948 7.482 -0.418 630 HE1 MET 78 HE1 MET 78 -6.761 4.960 -3.147 631 HE2 MET 78 HE2 MET 78 -5.312 4.260 -2.426 632 HE3 MET 78 HE3 MET 78 -5.303 5.936 -2.970 633 H GLU 79 H GLU 79 -11.195 6.483 -2.037 634 HA GLU 79 HA GLU 79 -12.570 8.304 -0.250 635 HB2 GLU 79 HB2 GLU 79 -13.840 6.977 -1.908 636 HB3 GLU 79 HB3 GLU 79 -13.279 5.502 -1.138 637 HG2 GLU 79 HG2 GLU 79 -15.564 6.054 -0.496 638 HG3 GLU 79 HG3 GLU 79 -14.477 6.073 0.890 639 H ASP 80 H ASP 80 -12.800 7.985 1.957 640 HA ASP 80 HA ASP 80 -10.799 6.696 3.356 641 HB2 ASP 80 HB2 ASP 80 -13.532 7.109 4.535 642 HB3 ASP 80 HB3 ASP 80 -11.966 7.265 5.312 643 H GLU 81 H GLU 81 -10.574 4.711 4.261 644 HA GLU 81 HA GLU 81 -10.872 2.544 4.751 645 HB2 GLU 81 HB2 GLU 81 -13.828 3.069 4.427 646 HB3 GLU 81 HB3 GLU 81 -13.098 1.683 5.224 647 HG2 GLU 81 HG2 GLU 81 -12.077 3.259 6.864 648 HG3 GLU 81 HG3 GLU 81 -12.999 4.550 6.115 649 H ASP 82 H ASP 82 -10.629 3.498 1.943 650 HA ASP 82 HA ASP 82 -12.111 1.642 0.328 651 HB2 ASP 82 HB2 ASP 82 -10.848 3.976 -0.191 652 HB3 ASP 82 HB3 ASP 82 -9.655 2.830 -0.779 653 H THR 83 H THR 83 -10.424 0.523 -1.443 654 HA THR 83 HA THR 83 -8.455 -0.982 0.125 655 HB THR 83 HB THR 83 -10.274 -2.400 -1.815 656 HG1 THR 83 HG1 THR 83 -11.001 -1.317 0.525 657 HG21 THR 83 HG21 THR 83 -8.210 -3.541 -1.100 658 HG22 THR 83 HG22 THR 83 -9.643 -4.365 -0.483 659 HG23 THR 83 HG23 THR 83 -8.690 -3.339 0.586 660 H ILE 84 H ILE 84 -6.803 -1.933 -1.130 661 HA ILE 84 HA ILE 84 -6.558 -0.916 -3.877 662 HB ILE 84 HB ILE 84 -4.455 -0.964 -1.688 663 HG12 ILE 84 HG12 ILE 84 -4.075 1.405 -2.612 664 HG13 ILE 84 HG13 ILE 84 -5.590 1.171 -3.472 665 HG21 ILE 84 HG21 ILE 84 -2.767 -0.375 -3.362 666 HG22 ILE 84 HG22 ILE 84 -3.953 -0.645 -4.639 667 HG23 ILE 84 HG23 ILE 84 -3.429 -1.988 -3.624 668 HD11 ILE 84 HD11 ILE 84 -6.749 0.858 -1.366 669 HD12 ILE 84 HD12 ILE 84 -5.923 2.416 -1.432 670 HD13 ILE 84 HD13 ILE 84 -5.234 1.089 -0.492 671 H ASP 85 H ASP 85 -5.707 -2.382 -5.355 672 HA ASP 85 HA ASP 85 -5.821 -5.152 -4.462 673 HB2 ASP 85 HB2 ASP 85 -6.988 -4.332 -6.541 674 HB3 ASP 85 HB3 ASP 85 -5.382 -4.108 -7.232 675 H VAL 86 H VAL 86 -4.179 -6.507 -4.431 676 HA VAL 86 HA VAL 86 -1.561 -5.510 -5.285 677 HB VAL 86 HB VAL 86 -2.338 -6.918 -2.759 678 HG11 VAL 86 HG11 VAL 86 -0.755 -8.494 -3.779 679 HG12 VAL 86 HG12 VAL 86 -0.019 -7.665 -2.407 680 HG13 VAL 86 HG13 VAL 86 0.383 -7.175 -4.053 681 HG21 VAL 86 HG21 VAL 86 -0.278 -4.844 -3.447 682 HG22 VAL 86 HG22 VAL 86 -0.713 -5.387 -1.826 683 HG23 VAL 86 HG23 VAL 86 -1.893 -4.529 -2.817 684 H PHE 87 H PHE 87 -0.337 -6.788 -6.462 685 HA PHE 87 HA PHE 87 -1.095 -9.555 -6.899 686 HB2 PHE 87 HB2 PHE 87 -1.044 -9.168 -9.431 687 HB3 PHE 87 HB3 PHE 87 -2.479 -8.613 -8.579 688 HD1 PHE 87 HD1 PHE 87 -2.529 -6.120 -7.905 689 HD2 PHE 87 HD2 PHE 87 0.108 -7.719 -10.829 690 HE1 PHE 87 HE1 PHE 87 -2.222 -3.880 -8.835 691 HE2 PHE 87 HE2 PHE 87 0.416 -5.465 -11.774 692 HZ PHE 87 HZ PHE 87 -0.751 -3.544 -10.778 693 H GLN 88 H GLN 88 0.535 -10.702 -8.190 694 HA GLN 88 HA GLN 88 3.179 -9.424 -7.851 695 HB2 GLN 88 HB2 GLN 88 2.483 -12.358 -7.745 696 HB3 GLN 88 HB3 GLN 88 4.105 -11.698 -7.607 697 HG2 GLN 88 HG2 GLN 88 3.388 -10.468 -5.625 698 HG3 GLN 88 HG3 GLN 88 1.819 -11.274 -5.708 699 HE21 GLN 88 HE21 GLN 88 3.761 -11.287 -3.603 700 HE22 GLN 88 HE22 GLN 88 4.223 -12.927 -3.346 701 H GLN 89 H GLN 89 3.745 -8.760 -9.921 702 HA GLN 89 HA GLN 89 3.603 -10.771 -12.054 703 HB2 GLN 89 HB2 GLN 89 3.037 -8.921 -13.613 704 HB3 GLN 89 HB3 GLN 89 1.777 -9.334 -12.457 705 HG2 GLN 89 HG2 GLN 89 2.181 -7.430 -11.173 706 HG3 GLN 89 HG3 GLN 89 3.732 -7.138 -11.952 707 HE21 GLN 89 HE21 GLN 89 3.218 -5.136 -12.471 708 HE22 GLN 89 HE22 GLN 89 2.096 -4.694 -13.721 709 H GLN 90 H GLN 90 5.310 -10.972 -13.333 710 HA GLN 90 HA GLN 90 7.470 -10.817 -14.089 711 HB2 GLN 90 HB2 GLN 90 6.667 -7.909 -14.260 712 HB3 GLN 90 HB3 GLN 90 8.052 -8.617 -15.073 713 HG2 GLN 90 HG2 GLN 90 5.158 -9.294 -15.547 714 HG3 GLN 90 HG3 GLN 90 6.213 -8.370 -16.615 715 HE21 GLN 90 HE21 GLN 90 5.351 -11.509 -15.459 716 HE22 GLN 90 HE22 GLN 90 6.310 -12.424 -16.568 717 H THR 91 H THR 91 7.397 -10.857 -11.308 718 HA THR 91 HA THR 91 9.385 -8.879 -10.518 719 HB THR 91 HB THR 91 8.782 -9.752 -8.185 720 HG1 THR 91 HG1 THR 91 6.884 -10.921 -8.045 721 HG21 THR 91 HG21 THR 91 6.759 -8.318 -8.126 722 HG22 THR 91 HG22 THR 91 6.747 -8.300 -9.890 723 HG23 THR 91 HG23 THR 91 8.088 -7.565 -9.010 724 H GLY 92 H GLY 92 8.706 -12.187 -9.584 725 HA2 GLY 92 HA2 GLY 92 11.190 -13.232 -10.449 726 HA3 GLY 92 HA3 GLY 92 11.285 -12.823 -8.740 727 H GLY 93 H GLY 93 9.439 -13.688 -7.401 728 HA2 GLY 93 HA2 GLY 93 9.229 -16.492 -7.807 729 HA3 GLY 93 HA3 GLY 93 8.399 -15.557 -6.568 Start of MODEL 7 1 H MET 1 H MET 1 9.041 13.707 25.383 2 HA MET 1 HA MET 1 11.145 13.438 24.338 3 HB2 MET 1 HB2 MET 1 9.908 15.134 22.175 4 HB3 MET 1 HB3 MET 1 11.643 14.910 22.328 5 HG2 MET 1 HG2 MET 1 11.371 12.515 22.004 6 HG3 MET 1 HG3 MET 1 9.624 12.725 21.882 7 HE1 MET 1 HE1 MET 1 11.417 11.226 19.676 8 HE2 MET 1 HE2 MET 1 10.715 11.867 18.191 9 HE3 MET 1 HE3 MET 1 9.669 11.411 19.536 10 H ALA 2 H ALA 2 9.485 15.433 26.106 11 HA ALA 2 HA ALA 2 11.674 17.131 26.701 12 HB1 ALA 2 HB1 ALA 2 10.843 18.322 24.723 13 HB2 ALA 2 HB2 ALA 2 10.627 19.275 26.191 14 HB3 ALA 2 HB3 ALA 2 9.249 18.444 25.468 15 H ASP 3 H ASP 3 11.522 17.863 28.749 16 HA ASP 3 HA ASP 3 9.150 17.098 30.272 17 HB2 ASP 3 HB2 ASP 3 11.844 18.131 31.199 18 HB3 ASP 3 HB3 ASP 3 10.544 17.609 32.262 19 H GLU 4 H GLU 4 9.530 19.481 28.421 20 HA GLU 4 HA GLU 4 8.496 21.529 30.251 21 HB2 GLU 4 HB2 GLU 4 9.516 23.211 28.671 22 HB3 GLU 4 HB3 GLU 4 10.677 22.281 29.605 23 HG2 GLU 4 HG2 GLU 4 11.147 20.877 27.700 24 HG3 GLU 4 HG3 GLU 4 9.903 21.696 26.756 25 H LYS 5 H LYS 5 6.995 19.654 29.031 26 HA LYS 5 HA LYS 5 5.180 21.104 27.406 27 HB2 LYS 5 HB2 LYS 5 7.222 20.327 25.868 28 HB3 LYS 5 HB3 LYS 5 6.301 18.832 25.829 29 HG2 LYS 5 HG2 LYS 5 5.723 20.138 23.906 30 HG3 LYS 5 HG3 LYS 5 4.341 20.126 25.002 31 HD2 LYS 5 HD2 LYS 5 4.853 22.343 25.777 32 HD3 LYS 5 HD3 LYS 5 6.385 22.346 24.904 33 HE2 LYS 5 HE2 LYS 5 4.733 23.670 23.717 34 HE3 LYS 5 HE3 LYS 5 5.155 22.241 22.778 35 HZ1 LYS 5 HZ1 LYS 5 2.770 22.667 22.792 36 HZ2 LYS 5 HZ2 LYS 5 2.735 22.518 24.474 37 HZ3 LYS 5 HZ3 LYS 5 3.129 21.186 23.516 38 HA PRO 6 HA PRO 6 3.243 17.536 29.426 39 HB2 PRO 6 HB2 PRO 6 0.984 18.782 30.153 40 HB3 PRO 6 HB3 PRO 6 2.486 19.002 31.049 41 HG2 PRO 6 HG2 PRO 6 1.189 20.806 29.054 42 HG3 PRO 6 HG3 PRO 6 2.042 21.221 30.551 43 HD2 PRO 6 HD2 PRO 6 3.138 21.358 28.015 44 HD3 PRO 6 HD3 PRO 6 4.076 21.228 29.514 45 H LYS 7 H LYS 7 1.788 16.089 28.561 46 HA LYS 7 HA LYS 7 0.265 17.006 26.216 47 HB2 LYS 7 HB2 LYS 7 1.495 14.299 26.726 48 HB3 LYS 7 HB3 LYS 7 0.544 14.737 25.315 49 HG2 LYS 7 HG2 LYS 7 2.223 16.370 24.665 50 HG3 LYS 7 HG3 LYS 7 3.168 15.982 26.103 51 HD2 LYS 7 HD2 LYS 7 2.480 14.025 23.902 52 HD3 LYS 7 HD3 LYS 7 4.024 14.864 24.061 53 HE2 LYS 7 HE2 LYS 7 4.408 13.792 26.208 54 HE3 LYS 7 HE3 LYS 7 2.833 13.010 26.122 55 HZ1 LYS 7 HZ1 LYS 7 3.596 11.843 24.129 56 HZ2 LYS 7 HZ2 LYS 7 4.532 11.476 25.483 57 HZ3 LYS 7 HZ3 LYS 7 5.131 12.528 24.306 58 H GLU 8 H GLU 8 -0.694 17.096 28.879 59 HA GLU 8 HA GLU 8 -2.581 14.854 28.984 60 HB2 GLU 8 HB2 GLU 8 -2.100 17.004 31.053 61 HB3 GLU 8 HB3 GLU 8 -3.104 15.575 31.250 62 HG2 GLU 8 HG2 GLU 8 -1.029 14.210 30.854 63 HG3 GLU 8 HG3 GLU 8 -0.118 15.713 30.994 64 H GLY 9 H GLY 9 -2.377 17.980 27.890 65 HA2 GLY 9 HA2 GLY 9 -5.248 18.487 28.205 66 HA3 GLY 9 HA3 GLY 9 -4.043 19.664 27.706 67 H VAL 10 H VAL 10 -2.769 18.441 25.670 68 HA VAL 10 HA VAL 10 -4.938 18.090 23.724 69 HB VAL 10 HB VAL 10 -3.588 20.105 23.304 70 HG11 VAL 10 HG11 VAL 10 -1.265 18.204 23.032 71 HG12 VAL 10 HG12 VAL 10 -1.487 19.418 24.294 72 HG13 VAL 10 HG13 VAL 10 -1.236 19.918 22.623 73 HG21 VAL 10 HG21 VAL 10 -3.153 17.921 21.261 74 HG22 VAL 10 HG22 VAL 10 -3.001 19.652 20.950 75 HG23 VAL 10 HG23 VAL 10 -4.566 18.970 21.389 76 H LYS 11 H LYS 11 -4.915 16.393 22.332 77 HA LYS 11 HA LYS 11 -2.680 14.509 22.512 78 HB2 LYS 11 HB2 LYS 11 -4.677 13.753 23.832 79 HB3 LYS 11 HB3 LYS 11 -5.614 13.790 22.347 80 HG2 LYS 11 HG2 LYS 11 -4.157 12.069 21.388 81 HG3 LYS 11 HG3 LYS 11 -3.227 12.029 22.887 82 HD2 LYS 11 HD2 LYS 11 -4.773 10.205 22.943 83 HD3 LYS 11 HD3 LYS 11 -5.336 11.428 24.084 84 HE2 LYS 11 HE2 LYS 11 -7.216 10.579 22.832 85 HE3 LYS 11 HE3 LYS 11 -6.914 12.250 22.375 86 HZ1 LYS 11 HZ1 LYS 11 -7.366 10.867 20.449 87 HZ2 LYS 11 HZ2 LYS 11 -6.080 9.851 20.839 88 HZ3 LYS 11 HZ3 LYS 11 -5.780 11.448 20.380 89 H THR 12 H THR 12 -2.437 13.221 20.583 90 HA THR 12 HA THR 12 -2.496 14.486 18.166 91 HB THR 12 HB THR 12 -2.933 11.527 18.462 92 HG1 THR 12 HG1 THR 12 -0.352 12.647 18.372 93 HG21 THR 12 HG21 THR 12 -1.422 13.176 16.424 94 HG22 THR 12 HG22 THR 12 -2.970 12.378 16.162 95 HG23 THR 12 HG23 THR 12 -1.518 11.415 16.439 96 H GLU 13 H GLU 13 -4.152 15.316 17.088 97 HA GLU 13 HA GLU 13 -6.855 14.421 17.522 98 HB2 GLU 13 HB2 GLU 13 -5.824 16.525 15.631 99 HB3 GLU 13 HB3 GLU 13 -7.509 16.237 16.034 100 HG2 GLU 13 HG2 GLU 13 -6.876 16.720 18.430 101 HG3 GLU 13 HG3 GLU 13 -5.335 17.301 17.797 102 H ASN 14 H ASN 14 -7.405 12.616 16.707 103 HA ASN 14 HA ASN 14 -6.613 11.595 14.198 104 HB2 ASN 14 HB2 ASN 14 -8.852 10.910 16.075 105 HB3 ASN 14 HB3 ASN 14 -8.756 10.153 14.493 106 HD21 ASN 14 HD21 ASN 14 -5.941 11.043 16.388 107 HD22 ASN 14 HD22 ASN 14 -5.441 9.424 16.732 108 H ASN 15 H ASN 15 -8.646 10.854 12.754 109 HA ASN 15 HA ASN 15 -10.174 11.404 11.156 110 HB2 ASN 15 HB2 ASN 15 -10.608 13.989 12.691 111 HB3 ASN 15 HB3 ASN 15 -11.590 13.425 11.346 112 HD21 ASN 15 HD21 ASN 15 -10.910 13.155 14.689 113 HD22 ASN 15 HD22 ASN 15 -12.183 12.060 15.094 114 H ASP 16 H ASP 16 -7.294 12.498 11.503 115 HA ASP 16 HA ASP 16 -7.274 14.476 9.334 116 HB2 ASP 16 HB2 ASP 16 -4.929 14.700 9.854 117 HB3 ASP 16 HB3 ASP 16 -5.880 14.912 11.332 118 H HIS 17 H HIS 17 -6.980 11.227 9.971 119 HA HIS 17 HA HIS 17 -5.727 10.775 7.395 120 HB2 HIS 17 HB2 HIS 17 -4.421 8.932 8.289 121 HB3 HIS 17 HB3 HIS 17 -4.000 10.439 9.094 122 HD1 HIS 17 HD1 HIS 17 -4.941 10.704 11.614 123 HD2 HIS 17 HD2 HIS 17 -5.203 6.908 9.918 124 HE1 HIS 17 HE1 HIS 17 -5.327 9.118 13.525 125 HE2 HIS 17 HE2 HIS 17 -5.752 6.911 12.459 126 H ILE 18 H ILE 18 -6.290 8.840 6.442 127 HA ILE 18 HA ILE 18 -8.912 7.910 7.313 128 HB ILE 18 HB ILE 18 -9.350 7.272 5.026 129 HG12 ILE 18 HG12 ILE 18 -6.641 8.465 4.398 130 HG13 ILE 18 HG13 ILE 18 -7.050 6.753 4.331 131 HG21 ILE 18 HG21 ILE 18 -8.393 10.111 5.372 132 HG22 ILE 18 HG22 ILE 18 -10.017 9.473 5.662 133 HG23 ILE 18 HG23 ILE 18 -9.381 9.552 4.020 134 HD11 ILE 18 HD11 ILE 18 -7.058 7.657 2.118 135 HD12 ILE 18 HD12 ILE 18 -8.152 8.952 2.611 136 HD13 ILE 18 HD13 ILE 18 -8.722 7.279 2.588 137 H ASN 19 H ASN 19 -9.437 5.701 6.499 138 HA ASN 19 HA ASN 19 -7.287 3.891 7.295 139 HB2 ASN 19 HB2 ASN 19 -10.242 3.352 6.969 140 HB3 ASN 19 HB3 ASN 19 -9.057 2.275 7.702 141 HD21 ASN 19 HD21 ASN 19 -10.961 5.152 8.098 142 HD22 ASN 19 HD22 ASN 19 -10.694 5.336 9.790 143 H LEU 20 H LEU 20 -6.760 2.134 5.970 144 HA LEU 20 HA LEU 20 -8.054 2.023 3.346 145 HB2 LEU 20 HB2 LEU 20 -5.219 2.622 3.891 146 HB3 LEU 20 HB3 LEU 20 -5.502 1.416 2.655 147 HG LEU 20 HG LEU 20 -5.290 3.431 1.493 148 HD11 LEU 20 HD11 LEU 20 -7.401 3.792 0.449 149 HD12 LEU 20 HD12 LEU 20 -8.262 3.120 1.827 150 HD13 LEU 20 HD13 LEU 20 -7.247 2.077 0.826 151 HD21 LEU 20 HD21 LEU 20 -5.424 4.963 3.352 152 HD22 LEU 20 HD22 LEU 20 -7.158 4.681 3.489 153 HD23 LEU 20 HD23 LEU 20 -6.504 5.477 2.058 154 H LYS 21 H LYS 21 -7.590 0.070 2.177 155 HA LYS 21 HA LYS 21 -6.773 -2.197 3.832 156 HB2 LYS 21 HB2 LYS 21 -9.256 -1.991 2.147 157 HB3 LYS 21 HB3 LYS 21 -8.650 -3.498 2.822 158 HG2 LYS 21 HG2 LYS 21 -9.039 -2.772 5.018 159 HG3 LYS 21 HG3 LYS 21 -9.374 -1.123 4.484 160 HD2 LYS 21 HD2 LYS 21 -11.466 -2.223 5.006 161 HD3 LYS 21 HD3 LYS 21 -11.356 -1.966 3.265 162 HE2 LYS 21 HE2 LYS 21 -10.678 -4.282 2.951 163 HE3 LYS 21 HE3 LYS 21 -10.731 -4.549 4.695 164 HZ1 LYS 21 HZ1 LYS 21 -13.104 -4.122 4.661 165 HZ2 LYS 21 HZ2 LYS 21 -12.739 -5.349 3.565 166 HZ3 LYS 21 HZ3 LYS 21 -13.061 -3.790 3.005 167 H VAL 22 H VAL 22 -5.895 -3.878 2.637 168 HA VAL 22 HA VAL 22 -5.517 -3.328 -0.223 169 HB VAL 22 HB VAL 22 -3.342 -4.212 1.688 170 HG11 VAL 22 HG11 VAL 22 -1.900 -4.341 -0.257 171 HG12 VAL 22 HG12 VAL 22 -3.276 -3.990 -1.306 172 HG13 VAL 22 HG13 VAL 22 -3.235 -5.487 -0.373 173 HG21 VAL 22 HG21 VAL 22 -2.209 -2.204 1.031 174 HG22 VAL 22 HG22 VAL 22 -3.842 -1.767 1.544 175 HG23 VAL 22 HG23 VAL 22 -3.446 -1.847 -0.170 176 H ALA 23 H ALA 23 -6.286 -4.885 -1.359 177 HA ALA 23 HA ALA 23 -6.669 -7.511 -0.170 178 HB1 ALA 23 HB1 ALA 23 -8.557 -6.505 -1.361 179 HB2 ALA 23 HB2 ALA 23 -8.028 -8.003 -2.129 180 HB3 ALA 23 HB3 ALA 23 -7.592 -6.448 -2.838 181 H GLY 24 H GLY 24 -5.338 -9.085 -0.522 182 HA2 GLY 24 HA2 GLY 24 -3.176 -8.684 -2.437 183 HA3 GLY 24 HA3 GLY 24 -3.231 -9.917 -1.180 184 H GLN 25 H GLN 25 -2.546 -10.536 -3.784 185 HA GLN 25 HA GLN 25 -4.802 -11.506 -5.235 186 HB2 GLN 25 HB2 GLN 25 -3.185 -12.714 -6.642 187 HB3 GLN 25 HB3 GLN 25 -2.736 -11.032 -6.422 188 HG2 GLN 25 HG2 GLN 25 -0.740 -12.152 -6.236 189 HG3 GLN 25 HG3 GLN 25 -1.206 -11.904 -4.555 190 HE21 GLN 25 HE21 GLN 25 -0.100 -13.615 -3.718 191 HE22 GLN 25 HE22 GLN 25 -0.481 -15.265 -4.067 192 H ASP 26 H ASP 26 -3.267 -12.514 -2.473 193 HA ASP 26 HA ASP 26 -3.664 -15.340 -2.601 194 HB2 ASP 26 HB2 ASP 26 -2.018 -14.280 -1.091 195 HB3 ASP 26 HB3 ASP 26 -3.324 -13.486 -0.223 196 H GLY 27 H GLY 27 -5.626 -12.610 -1.969 197 HA2 GLY 27 HA2 GLY 27 -8.020 -12.754 -2.007 198 HA3 GLY 27 HA3 GLY 27 -7.894 -14.379 -1.349 199 H SER 28 H SER 28 -5.835 -12.219 0.188 200 HA SER 28 HA SER 28 -7.710 -12.000 2.429 201 HB2 SER 28 HB2 SER 28 -5.616 -13.352 2.819 202 HB3 SER 28 HB3 SER 28 -4.689 -11.874 2.562 203 HG SER 28 HG SER 28 -4.986 -11.618 4.634 204 H VAL 29 H VAL 29 -7.510 -10.057 3.694 205 HA VAL 29 HA VAL 29 -6.412 -7.819 2.180 206 HB VAL 29 HB VAL 29 -8.853 -8.031 1.702 207 HG11 VAL 29 HG11 VAL 29 -10.445 -7.283 3.461 208 HG12 VAL 29 HG12 VAL 29 -9.118 -7.340 4.625 209 HG13 VAL 29 HG13 VAL 29 -9.663 -8.822 3.836 210 HG21 VAL 29 HG21 VAL 29 -7.928 -5.542 3.125 211 HG22 VAL 29 HG22 VAL 29 -9.355 -5.630 2.092 212 HG23 VAL 29 HG23 VAL 29 -7.753 -5.905 1.410 213 H VAL 30 H VAL 30 -5.380 -6.354 3.387 214 HA VAL 30 HA VAL 30 -5.491 -6.670 6.276 215 HB VAL 30 HB VAL 30 -3.269 -6.766 5.282 216 HG11 VAL 30 HG11 VAL 30 -3.818 -3.996 4.240 217 HG12 VAL 30 HG12 VAL 30 -3.696 -5.465 3.274 218 HG13 VAL 30 HG13 VAL 30 -2.279 -4.854 4.132 219 HG21 VAL 30 HG21 VAL 30 -2.180 -4.912 6.550 220 HG22 VAL 30 HG22 VAL 30 -3.370 -5.818 7.491 221 HG23 VAL 30 HG23 VAL 30 -3.781 -4.234 6.839 222 H GLN 31 H GLN 31 -6.149 -5.038 7.622 223 HA GLN 31 HA GLN 31 -7.136 -2.590 6.357 224 HB2 GLN 31 HB2 GLN 31 -7.879 -3.591 9.079 225 HB3 GLN 31 HB3 GLN 31 -8.743 -2.448 8.062 226 HG2 GLN 31 HG2 GLN 31 -9.144 -4.304 6.442 227 HG3 GLN 31 HG3 GLN 31 -8.469 -5.408 7.638 228 HE21 GLN 31 HE21 GLN 31 -11.088 -3.342 6.819 229 HE22 GLN 31 HE22 GLN 31 -12.181 -3.944 8.003 230 H PHE 32 H PHE 32 -6.264 -0.716 6.946 231 HA PHE 32 HA PHE 32 -4.673 -0.441 9.345 232 HB2 PHE 32 HB2 PHE 32 -2.632 0.249 8.100 233 HB3 PHE 32 HB3 PHE 32 -3.000 -1.468 7.954 234 HD1 PHE 32 HD1 PHE 32 -4.394 -2.127 5.834 235 HD2 PHE 32 HD2 PHE 32 -2.141 1.464 6.191 236 HE1 PHE 32 HE1 PHE 32 -4.353 -1.919 3.396 237 HE2 PHE 32 HE2 PHE 32 -2.093 1.675 3.767 238 HZ PHE 32 HZ PHE 32 -3.191 -0.010 2.355 239 H LYS 33 H LYS 33 -3.604 1.762 9.354 240 HA LYS 33 HA LYS 33 -5.461 3.697 8.126 241 HB2 LYS 33 HB2 LYS 33 -4.077 4.143 10.764 242 HB3 LYS 33 HB3 LYS 33 -5.427 5.033 10.080 243 HG2 LYS 33 HG2 LYS 33 -6.784 2.934 10.267 244 HG3 LYS 33 HG3 LYS 33 -5.446 2.244 11.178 245 HD2 LYS 33 HD2 LYS 33 -6.919 4.765 11.940 246 HD3 LYS 33 HD3 LYS 33 -7.219 3.171 12.633 247 HE2 LYS 33 HE2 LYS 33 -4.604 4.670 12.744 248 HE3 LYS 33 HE3 LYS 33 -5.768 4.553 14.059 249 HZ1 LYS 33 HZ1 LYS 33 -4.286 2.289 12.830 250 HZ2 LYS 33 HZ2 LYS 33 -5.451 2.136 14.044 251 HZ3 LYS 33 HZ3 LYS 33 -4.005 2.956 14.357 252 H ILE 34 H ILE 34 -4.602 5.485 7.133 253 HA ILE 34 HA ILE 34 -1.757 6.037 7.452 254 HB ILE 34 HB ILE 34 -1.811 4.479 5.570 255 HG12 ILE 34 HG12 ILE 34 -1.366 7.314 4.600 256 HG13 ILE 34 HG13 ILE 34 -0.201 6.362 5.513 257 HG21 ILE 34 HG21 ILE 34 -3.007 5.012 3.499 258 HG22 ILE 34 HG22 ILE 34 -3.741 6.406 4.293 259 HG23 ILE 34 HG23 ILE 34 -4.100 4.775 4.863 260 HD11 ILE 34 HD11 ILE 34 -1.260 5.672 2.782 261 HD12 ILE 34 HD12 ILE 34 -0.037 4.780 3.691 262 HD13 ILE 34 HD13 ILE 34 0.301 6.415 3.125 263 H LYS 35 H LYS 35 -1.160 8.165 6.877 264 HA LYS 35 HA LYS 35 -3.358 10.028 7.055 265 HB2 LYS 35 HB2 LYS 35 -0.436 10.715 6.867 266 HB3 LYS 35 HB3 LYS 35 -1.740 11.697 7.526 267 HG2 LYS 35 HG2 LYS 35 -1.969 9.621 9.150 268 HG3 LYS 35 HG3 LYS 35 -0.269 9.437 8.731 269 HD2 LYS 35 HD2 LYS 35 -1.522 11.947 9.845 270 HD3 LYS 35 HD3 LYS 35 -0.569 10.787 10.768 271 HE2 LYS 35 HE2 LYS 35 1.364 11.247 9.328 272 HE3 LYS 35 HE3 LYS 35 0.405 12.415 8.421 273 HZ1 LYS 35 HZ1 LYS 35 1.778 13.517 10.057 274 HZ2 LYS 35 HZ2 LYS 35 1.100 12.601 11.302 275 HZ3 LYS 35 HZ3 LYS 35 0.147 13.705 10.463 276 H ARG 36 H ARG 36 -3.485 11.879 5.705 277 HA ARG 36 HA ARG 36 -3.585 11.153 2.955 278 HB2 ARG 36 HB2 ARG 36 -3.806 13.969 3.995 279 HB3 ARG 36 HB3 ARG 36 -4.555 13.282 2.568 280 HG2 ARG 36 HG2 ARG 36 -5.294 12.810 5.441 281 HG3 ARG 36 HG3 ARG 36 -6.249 13.599 4.190 282 HD2 ARG 36 HD2 ARG 36 -5.523 10.683 4.393 283 HD3 ARG 36 HD3 ARG 36 -7.125 11.392 4.548 284 HE ARG 36 HE ARG 36 -5.820 10.623 2.156 285 HH11 ARG 36 HH11 ARG 36 -8.001 13.113 3.375 286 HH12 ARG 36 HH12 ARG 36 -8.726 13.402 1.835 287 HH21 ARG 36 HH21 ARG 36 -6.811 11.004 0.118 288 HH22 ARG 36 HH22 ARG 36 -8.051 12.210 -0.025 289 H HIS 37 H HIS 37 -1.380 13.023 4.931 290 HA HIS 37 HA HIS 37 0.159 13.860 2.590 291 HB2 HIS 37 HB2 HIS 37 0.442 14.576 5.516 292 HB3 HIS 37 HB3 HIS 37 1.437 15.230 4.220 293 HD1 HIS 37 HD1 HIS 37 -1.715 15.766 6.005 294 HD2 HIS 37 HD2 HIS 37 -0.083 16.858 2.340 295 HE1 HIS 37 HE1 HIS 37 -3.161 17.628 5.147 296 HE2 HIS 37 HE2 HIS 37 -2.275 18.120 2.851 297 H THR 38 H THR 38 -0.036 11.170 4.230 298 HA THR 38 HA THR 38 2.800 10.723 4.629 299 HB THR 38 HB THR 38 0.338 9.138 5.384 300 HG1 THR 38 HG1 THR 38 2.490 10.030 7.004 301 HG21 THR 38 HG21 THR 38 1.836 7.440 6.336 302 HG22 THR 38 HG22 THR 38 3.230 8.285 5.654 303 HG23 THR 38 HG23 THR 38 2.035 7.550 4.585 304 HA PRO 39 HA PRO 39 3.146 8.934 0.576 305 HB2 PRO 39 HB2 PRO 39 5.453 7.543 0.996 306 HB3 PRO 39 HB3 PRO 39 5.410 9.287 0.698 307 HG2 PRO 39 HG2 PRO 39 5.619 7.802 3.289 308 HG3 PRO 39 HG3 PRO 39 6.506 9.240 2.753 309 HD2 PRO 39 HD2 PRO 39 4.423 9.410 4.434 310 HD3 PRO 39 HD3 PRO 39 4.725 10.654 3.204 311 H LEU 40 H LEU 40 2.815 6.985 -0.449 312 HA LEU 40 HA LEU 40 1.435 4.993 0.969 313 HB2 LEU 40 HB2 LEU 40 2.537 5.114 -1.824 314 HB3 LEU 40 HB3 LEU 40 1.635 3.733 -1.231 315 HG LEU 40 HG LEU 40 0.528 6.520 -1.246 316 HD11 LEU 40 HD11 LEU 40 -0.674 5.880 -3.284 317 HD12 LEU 40 HD12 LEU 40 0.247 4.375 -3.334 318 HD13 LEU 40 HD13 LEU 40 1.071 5.923 -3.528 319 HD21 LEU 40 HD21 LEU 40 -0.791 3.832 -1.095 320 HD22 LEU 40 HD22 LEU 40 -1.610 5.394 -1.078 321 HD23 LEU 40 HD23 LEU 40 -0.554 4.937 0.259 322 H SER 41 H SER 41 4.772 5.481 0.598 323 HA SER 41 HA SER 41 5.856 2.965 0.348 324 HB2 SER 41 HB2 SER 41 7.661 3.940 1.987 325 HB3 SER 41 HB3 SER 41 7.449 4.640 0.387 326 HG SER 41 HG SER 41 7.120 6.425 1.403 327 HH31 ALY 42 HH31 ALY 42 0.188 0.141 10.257 328 HH32 ALY 42 HH32 ALY 42 -0.130 0.170 8.510 329 HH33 ALY 42 HH33 ALY 42 -1.031 1.231 9.611 330 HZ ALY 42 HZ ALY 42 -0.119 2.693 7.811 331 HE3 ALY 42 HE3 ALY 42 1.716 4.532 8.216 332 HE2 ALY 42 HE2 ALY 42 2.749 3.135 7.917 333 HD3 ALY 42 HD3 ALY 42 1.576 2.827 5.731 334 HD2 ALY 42 HD2 ALY 42 0.705 4.327 6.040 335 HG3 ALY 42 HG3 ALY 42 2.611 4.727 4.567 336 HG2 ALY 42 HG2 ALY 42 2.851 5.542 6.106 337 HB3 ALY 42 HB3 ALY 42 4.911 4.601 5.797 338 HB2 ALY 42 HB2 ALY 42 4.129 3.342 6.720 339 HCA ALY 42 HCA ALY 42 5.319 2.262 4.966 340 H ALY 42 H ALY 42 4.620 4.472 3.334 341 H LEU 43 H LEU 43 2.519 3.122 3.081 342 HA LEU 43 HA LEU 43 0.735 1.174 4.051 343 HB2 LEU 43 HB2 LEU 43 -0.180 2.956 2.782 344 HB3 LEU 43 HB3 LEU 43 0.926 2.691 1.453 345 HG LEU 43 HG LEU 43 -1.095 0.571 2.107 346 HD11 LEU 43 HD11 LEU 43 -2.690 1.660 0.619 347 HD12 LEU 43 HD12 LEU 43 -1.625 3.056 0.494 348 HD13 LEU 43 HD13 LEU 43 -2.373 2.658 2.040 349 HD21 LEU 43 HD21 LEU 43 0.602 0.110 0.422 350 HD22 LEU 43 HD22 LEU 43 0.165 1.598 -0.442 351 HD23 LEU 43 HD23 LEU 43 -0.988 0.257 -0.338 352 H MET 44 H MET 44 2.947 1.132 1.241 353 HA MET 44 HA MET 44 2.379 -1.508 0.458 354 HB2 MET 44 HB2 MET 44 4.808 0.225 0.067 355 HB3 MET 44 HB3 MET 44 4.795 -1.443 -0.480 356 HG2 MET 44 HG2 MET 44 4.147 -0.395 -2.393 357 HG3 MET 44 HG3 MET 44 2.570 -0.689 -1.660 358 HE1 MET 44 HE1 MET 44 2.211 2.774 -3.477 359 HE2 MET 44 HE2 MET 44 1.653 1.101 -3.416 360 HE3 MET 44 HE3 MET 44 3.279 1.472 -3.995 361 H LYS 45 H LYS 45 4.620 -0.222 2.823 362 HA LYS 45 HA LYS 45 5.896 -2.687 3.362 363 HB2 LYS 45 HB2 LYS 45 6.969 -0.579 3.935 364 HB3 LYS 45 HB3 LYS 45 5.663 -0.181 5.040 365 HG2 LYS 45 HG2 LYS 45 7.635 -0.924 6.244 366 HG3 LYS 45 HG3 LYS 45 6.301 -2.053 6.484 367 HD2 LYS 45 HD2 LYS 45 8.256 -3.355 6.131 368 HD3 LYS 45 HD3 LYS 45 7.319 -3.444 4.641 369 HE2 LYS 45 HE2 LYS 45 9.686 -3.113 4.150 370 HE3 LYS 45 HE3 LYS 45 8.745 -1.710 3.647 371 HZ1 LYS 45 HZ1 LYS 45 10.778 -1.060 4.769 372 HZ2 LYS 45 HZ2 LYS 45 10.330 -1.912 6.152 373 HZ3 LYS 45 HZ3 LYS 45 9.435 -0.564 5.662 374 H ALA 46 H ALA 46 3.160 -1.001 4.792 375 HA ALA 46 HA ALA 46 2.745 -2.597 7.055 376 HB1 ALA 46 HB1 ALA 46 0.632 -1.254 5.370 377 HB2 ALA 46 HB2 ALA 46 1.561 -0.480 6.652 378 HB3 ALA 46 HB3 ALA 46 0.446 -1.792 7.037 379 H TYR 47 H TYR 47 1.328 -2.920 3.814 380 HA TYR 47 HA TYR 47 -0.041 -5.313 4.361 381 HB2 TYR 47 HB2 TYR 47 -0.738 -4.102 2.468 382 HB3 TYR 47 HB3 TYR 47 0.884 -4.055 1.781 383 HD1 TYR 47 HD1 TYR 47 -2.017 -6.220 2.473 384 HD2 TYR 47 HD2 TYR 47 1.685 -5.848 0.440 385 HE1 TYR 47 HE1 TYR 47 -2.536 -8.246 1.206 386 HE2 TYR 47 HE2 TYR 47 1.189 -7.873 -0.855 387 HH TYR 47 HH TYR 47 -0.201 -9.900 -0.643 388 H CYS 48 H CYS 48 3.195 -4.660 3.154 389 HA CYS 48 HA CYS 48 3.905 -7.310 2.475 390 HB2 CYS 48 HB2 CYS 48 5.408 -5.867 1.561 391 HB3 CYS 48 HB3 CYS 48 5.333 -4.743 2.916 392 HG CYS 48 HG CYS 48 7.084 -7.686 2.900 393 H GLU 49 H GLU 49 3.977 -5.545 5.470 394 HA GLU 49 HA GLU 49 5.521 -7.426 6.933 395 HB2 GLU 49 HB2 GLU 49 3.628 -5.257 7.808 396 HB3 GLU 49 HB3 GLU 49 4.637 -6.188 8.908 397 HG2 GLU 49 HG2 GLU 49 5.783 -4.687 6.601 398 HG3 GLU 49 HG3 GLU 49 5.489 -3.912 8.146 399 H ARG 50 H ARG 50 2.058 -6.928 6.507 400 HA ARG 50 HA ARG 50 1.261 -8.842 8.453 401 HB2 ARG 50 HB2 ARG 50 -0.264 -7.801 6.072 402 HB3 ARG 50 HB3 ARG 50 -0.956 -8.681 7.428 403 HG2 ARG 50 HG2 ARG 50 0.364 -5.986 7.539 404 HG3 ARG 50 HG3 ARG 50 -1.363 -6.322 7.637 405 HD2 ARG 50 HD2 ARG 50 0.730 -7.238 9.604 406 HD3 ARG 50 HD3 ARG 50 -0.414 -5.922 9.837 407 HE ARG 50 HE ARG 50 -1.462 -8.615 9.339 408 HH11 ARG 50 HH11 ARG 50 -0.962 -5.952 11.579 409 HH12 ARG 50 HH12 ARG 50 -2.098 -6.557 12.738 410 HH21 ARG 50 HH21 ARG 50 -2.945 -9.410 10.882 411 HH22 ARG 50 HH22 ARG 50 -3.219 -8.521 12.346 412 H GLN 51 H GLN 51 1.665 -9.015 4.961 413 HA GLN 51 HA GLN 51 0.893 -11.805 4.965 414 HB2 GLN 51 HB2 GLN 51 1.414 -9.772 2.887 415 HB3 GLN 51 HB3 GLN 51 1.804 -11.428 2.452 416 HG2 GLN 51 HG2 GLN 51 -0.436 -10.884 1.736 417 HG3 GLN 51 HG3 GLN 51 -0.482 -12.114 2.992 418 HE21 GLN 51 HE21 GLN 51 0.033 -8.691 3.607 419 HE22 GLN 51 HE22 GLN 51 -1.475 -8.432 4.406 420 H GLY 52 H GLY 52 3.784 -10.048 5.342 421 HA2 GLY 52 HA2 GLY 52 5.879 -10.861 5.884 422 HA3 GLY 52 HA3 GLY 52 5.270 -12.490 5.646 423 H LEU 53 H LEU 53 4.504 -10.791 2.929 424 HA LEU 53 HA LEU 53 6.617 -12.026 1.428 425 HB2 LEU 53 HB2 LEU 53 5.365 -11.030 -0.536 426 HB3 LEU 53 HB3 LEU 53 4.513 -12.219 0.424 427 HG LEU 53 HG LEU 53 3.377 -10.266 1.603 428 HD11 LEU 53 HD11 LEU 53 4.472 -8.728 -0.732 429 HD12 LEU 53 HD12 LEU 53 4.946 -8.528 0.953 430 HD13 LEU 53 HD13 LEU 53 3.297 -8.146 0.450 431 HD21 LEU 53 HD21 LEU 53 2.895 -10.645 -1.348 432 HD22 LEU 53 HD22 LEU 53 1.752 -9.955 -0.196 433 HD23 LEU 53 HD23 LEU 53 2.241 -11.642 -0.049 434 H SER 54 H SER 54 7.438 -10.606 -0.523 435 HA SER 54 HA SER 54 8.801 -8.337 0.685 436 HB2 SER 54 HB2 SER 54 9.257 -9.904 -1.853 437 HB3 SER 54 HB3 SER 54 10.234 -8.515 -1.398 438 HG SER 54 HG SER 54 10.612 -10.986 -0.692 439 H MET 55 H MET 55 8.391 -6.263 0.139 440 HA MET 55 HA MET 55 6.101 -5.624 -1.405 441 HB2 MET 55 HB2 MET 55 6.810 -3.238 -1.124 442 HB3 MET 55 HB3 MET 55 6.666 -4.132 0.380 443 HG2 MET 55 HG2 MET 55 8.886 -4.008 0.831 444 HG3 MET 55 HG3 MET 55 9.351 -4.026 -0.874 445 HE1 MET 55 HE1 MET 55 7.731 -1.901 1.987 446 HE2 MET 55 HE2 MET 55 6.634 -1.577 0.646 447 HE3 MET 55 HE3 MET 55 7.670 -0.293 1.270 448 H ARG 56 H ARG 56 9.396 -6.055 -2.254 449 HA ARG 56 HA ARG 56 9.259 -4.517 -4.687 450 HB2 ARG 56 HB2 ARG 56 11.479 -5.363 -5.146 451 HB3 ARG 56 HB3 ARG 56 11.378 -4.852 -3.469 452 HG2 ARG 56 HG2 ARG 56 11.149 -7.168 -2.762 453 HG3 ARG 56 HG3 ARG 56 11.218 -7.694 -4.443 454 HD2 ARG 56 HD2 ARG 56 13.384 -7.985 -3.471 455 HD3 ARG 56 HD3 ARG 56 13.456 -6.648 -4.617 456 HE ARG 56 HE ARG 56 12.936 -5.699 -1.993 457 HH11 ARG 56 HH11 ARG 56 15.515 -6.958 -4.017 458 HH12 ARG 56 HH12 ARG 56 16.772 -6.158 -3.143 459 HH21 ARG 56 HH21 ARG 56 14.609 -4.631 -0.820 460 HH22 ARG 56 HH22 ARG 56 16.252 -4.818 -1.323 461 H GLN 57 H GLN 57 8.041 -7.472 -3.766 462 HA GLN 57 HA GLN 57 8.253 -8.643 -6.458 463 HB2 GLN 57 HB2 GLN 57 7.364 -9.880 -3.859 464 HB3 GLN 57 HB3 GLN 57 7.515 -10.719 -5.397 465 HG2 GLN 57 HG2 GLN 57 9.778 -9.368 -3.969 466 HG3 GLN 57 HG3 GLN 57 9.397 -11.087 -3.850 467 HE21 GLN 57 HE21 GLN 57 10.580 -8.542 -5.891 468 HE22 GLN 57 HE22 GLN 57 11.260 -9.560 -7.102 469 H ILE 58 H ILE 58 6.252 -6.545 -5.151 470 HA ILE 58 HA ILE 58 3.908 -7.795 -6.345 471 HB ILE 58 HB ILE 58 2.514 -6.852 -4.458 472 HG12 ILE 58 HG12 ILE 58 5.147 -6.812 -2.994 473 HG13 ILE 58 HG13 ILE 58 4.359 -5.374 -3.627 474 HG21 ILE 58 HG21 ILE 58 3.108 -9.248 -4.707 475 HG22 ILE 58 HG22 ILE 58 2.823 -8.754 -3.038 476 HG23 ILE 58 HG23 ILE 58 4.472 -8.980 -3.625 477 HD11 ILE 58 HD11 ILE 58 3.245 -7.236 -1.548 478 HD12 ILE 58 HD12 ILE 58 2.432 -5.807 -2.182 479 HD13 ILE 58 HD13 ILE 58 3.925 -5.636 -1.257 480 H ARG 59 H ARG 59 2.102 -6.149 -6.421 481 HA ARG 59 HA ARG 59 3.072 -3.436 -6.847 482 HB2 ARG 59 HB2 ARG 59 1.825 -5.172 -8.951 483 HB3 ARG 59 HB3 ARG 59 1.703 -3.421 -9.022 484 HG2 ARG 59 HG2 ARG 59 4.304 -4.893 -8.826 485 HG3 ARG 59 HG3 ARG 59 3.554 -4.441 -10.358 486 HD2 ARG 59 HD2 ARG 59 4.249 -2.512 -8.137 487 HD3 ARG 59 HD3 ARG 59 5.277 -2.818 -9.520 488 HE ARG 59 HE ARG 59 2.658 -2.048 -10.326 489 HH11 ARG 59 HH11 ARG 59 5.726 -0.787 -9.178 490 HH12 ARG 59 HH12 ARG 59 5.465 0.796 -9.825 491 HH21 ARG 59 HH21 ARG 59 2.319 0.036 -11.202 492 HH22 ARG 59 HH22 ARG 59 3.518 1.269 -10.992 493 H PHE 60 H PHE 60 1.540 -1.869 -6.700 494 HA PHE 60 HA PHE 60 -1.038 -2.770 -5.584 495 HB2 PHE 60 HB2 PHE 60 0.616 -0.322 -4.894 496 HB3 PHE 60 HB3 PHE 60 -1.035 -0.566 -4.358 497 HD1 PHE 60 HD1 PHE 60 2.224 -2.398 -4.346 498 HD2 PHE 60 HD2 PHE 60 -1.352 -1.413 -2.268 499 HE1 PHE 60 HE1 PHE 60 3.040 -3.617 -2.368 500 HE2 PHE 60 HE2 PHE 60 -0.539 -2.630 -0.291 501 HZ PHE 60 HZ PHE 60 1.655 -3.732 -0.343 502 H ARG 61 H ARG 61 -2.831 -2.105 -6.583 503 HA ARG 61 HA ARG 61 -2.658 0.292 -8.255 504 HB2 ARG 61 HB2 ARG 61 -3.814 -0.714 -10.093 505 HB3 ARG 61 HB3 ARG 61 -2.483 -1.770 -9.663 506 HG2 ARG 61 HG2 ARG 61 -4.103 -3.321 -9.951 507 HG3 ARG 61 HG3 ARG 61 -4.303 -2.952 -8.247 508 HD2 ARG 61 HD2 ARG 61 -6.205 -1.645 -8.608 509 HD3 ARG 61 HD3 ARG 61 -5.854 -1.443 -10.321 510 HE ARG 61 HE ARG 61 -6.279 -4.039 -10.256 511 HH11 ARG 61 HH11 ARG 61 -8.068 -1.550 -8.545 512 HH12 ARG 61 HH12 ARG 61 -9.582 -2.367 -8.672 513 HH21 ARG 61 HH21 ARG 61 -8.271 -5.128 -10.427 514 HH22 ARG 61 HH22 ARG 61 -9.703 -4.425 -9.759 515 H PHE 62 H PHE 62 -4.370 1.616 -8.240 516 HA PHE 62 HA PHE 62 -6.771 0.804 -6.787 517 HB2 PHE 62 HB2 PHE 62 -5.406 1.906 -5.113 518 HB3 PHE 62 HB3 PHE 62 -5.073 3.240 -6.208 519 HD1 PHE 62 HD1 PHE 62 -7.700 1.619 -4.195 520 HD2 PHE 62 HD2 PHE 62 -6.558 5.062 -6.414 521 HE1 PHE 62 HE1 PHE 62 -9.649 2.830 -3.319 522 HE2 PHE 62 HE2 PHE 62 -8.506 6.279 -5.541 523 HZ PHE 62 HZ PHE 62 -10.056 5.161 -3.992 524 H ASP 63 H ASP 63 -8.630 1.743 -7.599 525 HA ASP 63 HA ASP 63 -10.012 2.910 -9.028 526 HB2 ASP 63 HB2 ASP 63 -8.550 4.786 -7.918 527 HB3 ASP 63 HB3 ASP 63 -7.834 4.899 -9.501 528 H GLY 64 H GLY 64 -8.054 0.920 -10.151 529 HA2 GLY 64 HA2 GLY 64 -7.732 0.171 -12.299 530 HA3 GLY 64 HA3 GLY 64 -8.378 1.705 -12.871 531 H GLN 65 H GLN 65 -6.134 2.719 -10.765 532 HA GLN 65 HA GLN 65 -4.033 2.698 -12.830 533 HB2 GLN 65 HB2 GLN 65 -3.398 4.967 -12.004 534 HB3 GLN 65 HB3 GLN 65 -4.981 4.900 -12.760 535 HG2 GLN 65 HG2 GLN 65 -6.016 4.829 -10.537 536 HG3 GLN 65 HG3 GLN 65 -4.425 4.966 -9.798 537 HE21 GLN 65 HE21 GLN 65 -6.891 6.554 -11.596 538 HE22 GLN 65 HE22 GLN 65 -6.310 8.172 -11.386 539 HA PRO 66 HA PRO 66 -1.398 1.081 -9.673 540 HB2 PRO 66 HB2 PRO 66 0.990 1.557 -10.830 541 HB3 PRO 66 HB3 PRO 66 -0.112 0.320 -11.438 542 HG2 PRO 66 HG2 PRO 66 0.342 3.102 -12.450 543 HG3 PRO 66 HG3 PRO 66 0.169 1.595 -13.368 544 HD2 PRO 66 HD2 PRO 66 -1.870 3.382 -13.030 545 HD3 PRO 66 HD3 PRO 66 -2.127 1.636 -13.230 546 H ILE 67 H ILE 67 -0.128 1.830 -7.941 547 HA ILE 67 HA ILE 67 0.530 4.692 -7.986 548 HB ILE 67 HB ILE 67 0.038 4.794 -5.527 549 HG12 ILE 67 HG12 ILE 67 -0.154 2.200 -5.365 550 HG13 ILE 67 HG13 ILE 67 -1.239 3.187 -4.396 551 HG21 ILE 67 HG21 ILE 67 -2.255 4.433 -7.433 552 HG22 ILE 67 HG22 ILE 67 -1.382 5.922 -7.057 553 HG23 ILE 67 HG23 ILE 67 -2.388 5.157 -5.829 554 HD11 ILE 67 HD11 ILE 67 -1.911 1.838 -7.001 555 HD12 ILE 67 HD12 ILE 67 -3.011 2.828 -6.043 556 HD13 ILE 67 HD13 ILE 67 -2.400 1.309 -5.392 557 H ASN 68 H ASN 68 2.407 5.256 -7.278 558 HA ASN 68 HA ASN 68 4.234 3.183 -6.382 559 HB2 ASN 68 HB2 ASN 68 5.796 5.367 -6.600 560 HB3 ASN 68 HB3 ASN 68 5.410 4.325 -7.963 561 HD21 ASN 68 HD21 ASN 68 4.699 7.328 -6.372 562 HD22 ASN 68 HD22 ASN 68 3.869 8.077 -7.688 563 H GLU 69 H GLU 69 5.622 3.523 -4.592 564 HA GLU 69 HA GLU 69 4.305 4.280 -2.242 565 HB2 GLU 69 HB2 GLU 69 6.569 4.073 -1.201 566 HB3 GLU 69 HB3 GLU 69 6.047 2.672 -2.127 567 HG2 GLU 69 HG2 GLU 69 7.535 3.066 -3.813 568 HG3 GLU 69 HG3 GLU 69 7.713 4.776 -3.431 569 H THR 70 H THR 70 6.107 6.153 -4.456 570 HA THR 70 HA THR 70 6.884 8.229 -2.664 571 HB THR 70 HB THR 70 7.435 9.445 -4.787 572 HG1 THR 70 HG1 THR 70 6.904 8.558 -6.682 573 HG21 THR 70 HG21 THR 70 9.056 7.946 -3.692 574 HG22 THR 70 HG22 THR 70 9.221 7.910 -5.451 575 HG23 THR 70 HG23 THR 70 8.398 6.592 -4.613 576 H ASP 71 H ASP 71 3.977 7.374 -4.107 577 HA ASP 71 HA ASP 71 2.968 10.116 -4.106 578 HB2 ASP 71 HB2 ASP 71 2.209 7.661 -5.509 579 HB3 ASP 71 HB3 ASP 71 0.825 8.549 -4.883 580 H THR 72 H THR 72 0.731 10.412 -3.184 581 HA THR 72 HA THR 72 0.593 9.020 -0.593 582 HB THR 72 HB THR 72 -0.549 11.128 0.209 583 HG1 THR 72 HG1 THR 72 0.074 12.998 -1.212 584 HG21 THR 72 HG21 THR 72 2.280 11.420 -0.816 585 HG22 THR 72 HG22 THR 72 1.802 10.695 0.726 586 HG23 THR 72 HG23 THR 72 1.533 12.414 0.438 587 HA PRO 73 HA PRO 73 -3.591 7.780 -1.486 588 HB2 PRO 73 HB2 PRO 73 -4.803 8.107 0.940 589 HB3 PRO 73 HB3 PRO 73 -3.700 6.772 0.582 590 HG2 PRO 73 HG2 PRO 73 -3.153 9.350 2.002 591 HG3 PRO 73 HG3 PRO 73 -2.634 7.708 2.423 592 HD2 PRO 73 HD2 PRO 73 -0.986 9.446 1.221 593 HD3 PRO 73 HD3 PRO 73 -0.930 7.710 0.865 594 H ALA 74 H ALA 74 -2.779 10.937 -0.736 595 HA ALA 74 HA ALA 74 -5.510 11.961 -0.896 596 HB1 ALA 74 HB1 ALA 74 -2.926 13.478 -0.564 597 HB2 ALA 74 HB2 ALA 74 -3.938 12.911 0.760 598 HB3 ALA 74 HB3 ALA 74 -4.558 14.117 -0.368 599 H GLN 75 H GLN 75 -2.760 11.382 -2.851 600 HA GLN 75 HA GLN 75 -2.988 13.416 -4.769 601 HB2 GLN 75 HB2 GLN 75 -1.169 11.554 -4.338 602 HB3 GLN 75 HB3 GLN 75 -2.094 10.684 -5.554 603 HG2 GLN 75 HG2 GLN 75 -0.390 11.768 -6.721 604 HG3 GLN 75 HG3 GLN 75 -1.839 12.738 -7.004 605 HE21 GLN 75 HE21 GLN 75 1.209 12.547 -5.389 606 HE22 GLN 75 HE22 GLN 75 1.318 14.218 -4.943 607 H LEU 76 H LEU 76 -4.501 10.262 -4.500 608 HA LEU 76 HA LEU 76 -5.984 10.797 -6.959 609 HB2 LEU 76 HB2 LEU 76 -6.589 8.266 -6.701 610 HB3 LEU 76 HB3 LEU 76 -5.049 8.741 -7.372 611 HG LEU 76 HG LEU 76 -5.022 6.777 -5.781 612 HD11 LEU 76 HD11 LEU 76 -2.984 7.976 -6.351 613 HD12 LEU 76 HD12 LEU 76 -2.955 7.411 -4.680 614 HD13 LEU 76 HD13 LEU 76 -3.270 9.109 -5.029 615 HD21 LEU 76 HD21 LEU 76 -4.924 7.390 -3.346 616 HD22 LEU 76 HD22 LEU 76 -6.526 7.445 -4.078 617 HD23 LEU 76 HD23 LEU 76 -5.638 8.940 -3.786 618 H GLU 77 H GLU 77 -6.329 11.284 -3.825 619 HA GLU 77 HA GLU 77 -7.996 11.473 -2.342 620 HB2 GLU 77 HB2 GLU 77 -9.226 12.219 -4.938 621 HB3 GLU 77 HB3 GLU 77 -10.282 12.063 -3.539 622 HG2 GLU 77 HG2 GLU 77 -7.809 13.767 -3.564 623 HG3 GLU 77 HG3 GLU 77 -9.413 14.365 -3.984 624 H MET 78 H MET 78 -7.581 9.016 -2.194 625 HA MET 78 HA MET 78 -9.830 7.405 -2.916 626 HB2 MET 78 HB2 MET 78 -8.765 5.697 -1.379 627 HB3 MET 78 HB3 MET 78 -7.796 6.221 -2.745 628 HG2 MET 78 HG2 MET 78 -6.533 7.704 -1.290 629 HG3 MET 78 HG3 MET 78 -7.540 7.202 0.071 630 HE1 MET 78 HE1 MET 78 -6.671 4.515 -2.587 631 HE2 MET 78 HE2 MET 78 -5.049 3.998 -2.123 632 HE3 MET 78 HE3 MET 78 -5.298 5.596 -2.819 633 H GLU 79 H GLU 79 -10.998 6.151 -1.197 634 HA GLU 79 HA GLU 79 -12.159 8.117 0.628 635 HB2 GLU 79 HB2 GLU 79 -13.559 6.960 -1.065 636 HB3 GLU 79 HB3 GLU 79 -13.170 5.429 -0.307 637 HG2 GLU 79 HG2 GLU 79 -14.308 6.162 1.731 638 HG3 GLU 79 HG3 GLU 79 -14.715 7.689 0.939 639 H ASP 80 H ASP 80 -12.965 7.223 2.767 640 HA ASP 80 HA ASP 80 -10.809 5.954 4.145 641 HB2 ASP 80 HB2 ASP 80 -13.609 6.620 5.076 642 HB3 ASP 80 HB3 ASP 80 -12.395 5.825 6.074 643 H GLU 81 H GLU 81 -10.471 3.949 4.541 644 HA GLU 81 HA GLU 81 -10.648 1.736 4.774 645 HB2 GLU 81 HB2 GLU 81 -13.633 2.205 4.767 646 HB3 GLU 81 HB3 GLU 81 -12.872 0.651 5.077 647 HG2 GLU 81 HG2 GLU 81 -11.601 1.960 6.934 648 HG3 GLU 81 HG3 GLU 81 -12.926 3.105 6.760 649 H ASP 82 H ASP 82 -10.766 3.211 2.136 650 HA ASP 82 HA ASP 82 -12.123 1.526 0.308 651 HB2 ASP 82 HB2 ASP 82 -10.913 3.930 0.035 652 HB3 ASP 82 HB3 ASP 82 -9.636 2.885 -0.572 653 H THR 83 H THR 83 -10.583 0.447 -1.506 654 HA THR 83 HA THR 83 -8.599 -1.148 -0.054 655 HB THR 83 HB THR 83 -10.433 -2.548 -1.972 656 HG1 THR 83 HG1 THR 83 -11.292 -1.310 0.187 657 HG21 THR 83 HG21 THR 83 -8.393 -3.656 -1.103 658 HG22 THR 83 HG22 THR 83 -9.872 -4.464 -0.577 659 HG23 THR 83 HG23 THR 83 -8.996 -3.414 0.540 660 H ILE 84 H ILE 84 -6.992 -2.108 -1.333 661 HA ILE 84 HA ILE 84 -6.691 -0.970 -4.031 662 HB ILE 84 HB ILE 84 -4.595 -1.264 -1.850 663 HG12 ILE 84 HG12 ILE 84 -4.170 1.186 -2.535 664 HG13 ILE 84 HG13 ILE 84 -5.726 1.087 -3.346 665 HG21 ILE 84 HG21 ILE 84 -3.601 -2.088 -3.882 666 HG22 ILE 84 HG22 ILE 84 -2.918 -0.513 -3.476 667 HG23 ILE 84 HG23 ILE 84 -4.123 -0.647 -4.755 668 HD11 ILE 84 HD11 ILE 84 -5.222 0.668 -0.419 669 HD12 ILE 84 HD12 ILE 84 -6.785 0.526 -1.229 670 HD13 ILE 84 HD13 ILE 84 -5.958 2.086 -1.168 671 H ASP 85 H ASP 85 -5.843 -2.387 -5.575 672 HA ASP 85 HA ASP 85 -5.968 -5.200 -4.827 673 HB2 ASP 85 HB2 ASP 85 -7.121 -4.434 -6.871 674 HB3 ASP 85 HB3 ASP 85 -5.557 -3.942 -7.518 675 H VAL 86 H VAL 86 -4.290 -6.482 -4.684 676 HA VAL 86 HA VAL 86 -1.718 -5.448 -5.570 677 HB VAL 86 HB VAL 86 -2.463 -6.821 -3.013 678 HG11 VAL 86 HG11 VAL 86 -0.126 -7.445 -2.616 679 HG12 VAL 86 HG12 VAL 86 0.292 -6.943 -4.256 680 HG13 VAL 86 HG13 VAL 86 -0.782 -8.319 -4.003 681 HG21 VAL 86 HG21 VAL 86 -0.924 -5.178 -2.103 682 HG22 VAL 86 HG22 VAL 86 -2.164 -4.416 -3.103 683 HG23 VAL 86 HG23 VAL 86 -0.531 -4.635 -3.734 684 H PHE 87 H PHE 87 -0.479 -6.710 -6.677 685 HA PHE 87 HA PHE 87 -1.210 -9.502 -7.050 686 HB2 PHE 87 HB2 PHE 87 -0.569 -9.108 -9.550 687 HB3 PHE 87 HB3 PHE 87 -2.197 -8.723 -8.983 688 HD1 PHE 87 HD1 PHE 87 -2.697 -6.292 -8.411 689 HD2 PHE 87 HD2 PHE 87 0.740 -7.499 -10.604 690 HE1 PHE 87 HE1 PHE 87 -2.460 -4.013 -9.269 691 HE2 PHE 87 HE2 PHE 87 0.984 -5.216 -11.478 692 HZ PHE 87 HZ PHE 87 -0.619 -3.465 -10.813 693 H GLN 88 H GLN 88 0.527 -10.857 -7.527 694 HA GLN 88 HA GLN 88 3.124 -9.570 -7.017 695 HB2 GLN 88 HB2 GLN 88 2.744 -12.488 -6.555 696 HB3 GLN 88 HB3 GLN 88 3.797 -11.352 -5.731 697 HG2 GLN 88 HG2 GLN 88 1.616 -10.373 -4.758 698 HG3 GLN 88 HG3 GLN 88 0.886 -11.871 -5.305 699 HE21 GLN 88 HE21 GLN 88 4.145 -11.484 -4.027 700 HE22 GLN 88 HE22 GLN 88 3.888 -12.462 -2.627 701 H GLN 89 H GLN 89 4.242 -9.412 -8.766 702 HA GLN 89 HA GLN 89 3.842 -10.893 -11.099 703 HB2 GLN 89 HB2 GLN 89 6.371 -9.443 -10.312 704 HB3 GLN 89 HB3 GLN 89 5.882 -9.882 -11.938 705 HG2 GLN 89 HG2 GLN 89 5.397 -7.608 -11.829 706 HG3 GLN 89 HG3 GLN 89 3.844 -8.372 -11.492 707 HE21 GLN 89 HE21 GLN 89 2.836 -7.943 -9.658 708 HE22 GLN 89 HE22 GLN 89 3.467 -6.973 -8.380 709 H GLN 90 H GLN 90 3.831 -13.082 -10.348 710 HA GLN 90 HA GLN 90 6.312 -14.248 -9.475 711 HB2 GLN 90 HB2 GLN 90 5.139 -16.393 -9.519 712 HB3 GLN 90 HB3 GLN 90 4.209 -15.187 -8.656 713 HG2 GLN 90 HG2 GLN 90 3.662 -15.909 -11.526 714 HG3 GLN 90 HG3 GLN 90 2.930 -16.765 -10.173 715 HE21 GLN 90 HE21 GLN 90 2.941 -13.888 -12.075 716 HE22 GLN 90 HE22 GLN 90 1.554 -13.157 -11.349 717 H THR 91 H THR 91 6.810 -16.486 -10.781 718 HA THR 91 HA THR 91 7.631 -15.471 -13.382 719 HB THR 91 HB THR 91 8.500 -18.070 -12.099 720 HG1 THR 91 HG1 THR 91 10.377 -16.523 -11.512 721 HG21 THR 91 HG21 THR 91 10.529 -17.699 -13.437 722 HG22 THR 91 HG22 THR 91 9.856 -16.190 -14.051 723 HG23 THR 91 HG23 THR 91 9.099 -17.727 -14.468 724 H GLY 92 H GLY 92 5.108 -17.162 -12.141 725 HA2 GLY 92 HA2 GLY 92 3.313 -17.960 -13.467 726 HA3 GLY 92 HA3 GLY 92 4.448 -18.270 -14.772 727 H GLY 93 H GLY 93 6.313 -19.829 -13.729 728 HA2 GLY 93 HA2 GLY 93 5.832 -21.804 -11.955 729 HA3 GLY 93 HA3 GLY 93 4.936 -22.319 -13.385 Start of MODEL 8 1 H MET 1 H MET 1 8.947 11.366 25.780 2 HA MET 1 HA MET 1 8.926 8.582 24.762 3 HB2 MET 1 HB2 MET 1 9.303 9.693 27.554 4 HB3 MET 1 HB3 MET 1 9.083 7.991 27.179 5 HG2 MET 1 HG2 MET 1 11.152 8.004 25.897 6 HG3 MET 1 HG3 MET 1 11.368 9.714 26.258 7 HE1 MET 1 HE1 MET 1 13.653 7.667 26.802 8 HE2 MET 1 HE2 MET 1 14.170 8.110 28.428 9 HE3 MET 1 HE3 MET 1 13.771 9.366 27.255 10 H ALA 2 H ALA 2 6.781 10.101 24.018 11 HA ALA 2 HA ALA 2 4.571 8.881 25.087 12 HB1 ALA 2 HB1 ALA 2 5.024 11.651 26.216 13 HB2 ALA 2 HB2 ALA 2 4.976 10.150 27.141 14 HB3 ALA 2 HB3 ALA 2 3.518 10.739 26.339 15 H ASP 3 H ASP 3 2.538 10.375 24.464 16 HA ASP 3 HA ASP 3 3.248 11.725 21.951 17 HB2 ASP 3 HB2 ASP 3 0.904 9.983 22.624 18 HB3 ASP 3 HB3 ASP 3 0.776 11.189 21.345 19 H GLU 4 H GLU 4 2.673 12.508 24.897 20 HA GLU 4 HA GLU 4 0.489 14.296 24.796 21 HB2 GLU 4 HB2 GLU 4 1.501 15.278 26.848 22 HB3 GLU 4 HB3 GLU 4 1.299 13.536 26.935 23 HG2 GLU 4 HG2 GLU 4 3.659 13.217 26.463 24 HG3 GLU 4 HG3 GLU 4 3.876 14.958 26.305 25 H LYS 5 H LYS 5 0.348 16.296 24.015 26 HA LYS 5 HA LYS 5 2.351 18.162 23.732 27 HB2 LYS 5 HB2 LYS 5 3.274 16.490 22.065 28 HB3 LYS 5 HB3 LYS 5 1.848 16.750 21.083 29 HG2 LYS 5 HG2 LYS 5 3.696 18.997 21.840 30 HG3 LYS 5 HG3 LYS 5 3.978 17.984 20.427 31 HD2 LYS 5 HD2 LYS 5 1.774 18.627 19.546 32 HD3 LYS 5 HD3 LYS 5 1.516 19.651 20.959 33 HE2 LYS 5 HE2 LYS 5 3.729 19.968 18.935 34 HE3 LYS 5 HE3 LYS 5 2.257 20.936 19.005 35 HZ1 LYS 5 HZ1 LYS 5 2.933 21.702 21.208 36 HZ2 LYS 5 HZ2 LYS 5 4.081 22.092 20.035 37 HZ3 LYS 5 HZ3 LYS 5 4.367 20.811 21.094 38 HA PRO 6 HA PRO 6 -1.517 19.584 21.237 39 HB2 PRO 6 HB2 PRO 6 -3.569 17.837 20.906 40 HB3 PRO 6 HB3 PRO 6 -2.255 17.989 19.733 41 HG2 PRO 6 HG2 PRO 6 -2.619 15.963 21.909 42 HG3 PRO 6 HG3 PRO 6 -2.118 15.717 20.225 43 HD2 PRO 6 HD2 PRO 6 -0.342 15.783 22.254 44 HD3 PRO 6 HD3 PRO 6 0.039 16.406 20.634 45 H LYS 7 H LYS 7 -3.290 20.587 22.174 46 HA LYS 7 HA LYS 7 -4.068 19.592 24.837 47 HB2 LYS 7 HB2 LYS 7 -4.340 21.943 25.534 48 HB3 LYS 7 HB3 LYS 7 -2.684 21.582 25.071 49 HG2 LYS 7 HG2 LYS 7 -3.040 22.657 22.910 50 HG3 LYS 7 HG3 LYS 7 -4.711 23.005 23.352 51 HD2 LYS 7 HD2 LYS 7 -2.286 24.014 24.842 52 HD3 LYS 7 HD3 LYS 7 -3.193 24.947 23.653 53 HE2 LYS 7 HE2 LYS 7 -5.201 24.771 25.045 54 HE3 LYS 7 HE3 LYS 7 -4.302 23.823 26.228 55 HZ1 LYS 7 HZ1 LYS 7 -4.482 26.134 26.886 56 HZ2 LYS 7 HZ2 LYS 7 -3.704 26.632 25.469 57 HZ3 LYS 7 HZ3 LYS 7 -2.871 25.719 26.615 58 H GLU 8 H GLU 8 -5.203 19.273 22.100 59 HA GLU 8 HA GLU 8 -7.639 20.821 22.127 60 HB2 GLU 8 HB2 GLU 8 -6.345 20.227 20.043 61 HB3 GLU 8 HB3 GLU 8 -6.887 18.574 20.271 62 HG2 GLU 8 HG2 GLU 8 -8.282 19.642 18.651 63 HG3 GLU 8 HG3 GLU 8 -9.220 19.352 20.117 64 H GLY 9 H GLY 9 -6.583 17.640 22.949 65 HA2 GLY 9 HA2 GLY 9 -7.680 15.880 23.970 66 HA3 GLY 9 HA3 GLY 9 -9.015 16.990 24.277 67 H VAL 10 H VAL 10 -7.501 15.412 21.467 68 HA VAL 10 HA VAL 10 -9.955 15.361 20.024 69 HB VAL 10 HB VAL 10 -7.776 15.581 18.884 70 HG11 VAL 10 HG11 VAL 10 -6.423 14.157 20.295 71 HG12 VAL 10 HG12 VAL 10 -6.311 13.637 18.612 72 HG13 VAL 10 HG13 VAL 10 -7.313 12.735 19.749 73 HG21 VAL 10 HG21 VAL 10 -9.287 13.087 18.104 74 HG22 VAL 10 HG22 VAL 10 -8.197 14.001 17.061 75 HG23 VAL 10 HG23 VAL 10 -9.693 14.737 17.633 76 H LYS 11 H LYS 11 -11.240 13.603 19.576 77 HA LYS 11 HA LYS 11 -11.441 11.705 21.648 78 HB2 LYS 11 HB2 LYS 11 -13.373 12.620 20.466 79 HB3 LYS 11 HB3 LYS 11 -12.871 11.795 18.999 80 HG2 LYS 11 HG2 LYS 11 -14.672 10.594 20.136 81 HG3 LYS 11 HG3 LYS 11 -13.190 9.635 20.081 82 HD2 LYS 11 HD2 LYS 11 -12.679 10.386 22.387 83 HD3 LYS 11 HD3 LYS 11 -14.233 11.217 22.429 84 HE2 LYS 11 HE2 LYS 11 -15.385 9.109 22.121 85 HE3 LYS 11 HE3 LYS 11 -13.844 8.265 21.982 86 HZ1 LYS 11 HZ1 LYS 11 -14.867 9.670 24.389 87 HZ2 LYS 11 HZ2 LYS 11 -13.334 8.983 24.257 88 HZ3 LYS 11 HZ3 LYS 11 -14.703 7.998 24.187 89 H THR 12 H THR 12 -11.252 10.903 18.164 90 HA THR 12 HA THR 12 -9.321 8.809 18.879 91 HB THR 12 HB THR 12 -11.581 8.230 16.980 92 HG1 THR 12 HG1 THR 12 -11.465 7.858 19.817 93 HG21 THR 12 HG21 THR 12 -10.975 5.923 17.463 94 HG22 THR 12 HG22 THR 12 -9.808 6.476 18.671 95 HG23 THR 12 HG23 THR 12 -9.546 6.839 16.967 96 H GLU 13 H GLU 13 -8.741 11.222 17.681 97 HA GLU 13 HA GLU 13 -7.364 12.062 16.040 98 HB2 GLU 13 HB2 GLU 13 -7.353 9.201 15.091 99 HB3 GLU 13 HB3 GLU 13 -6.335 10.469 14.425 100 HG2 GLU 13 HG2 GLU 13 -6.283 9.513 17.278 101 HG3 GLU 13 HG3 GLU 13 -5.149 9.024 16.020 102 H ASN 14 H ASN 14 -10.252 11.947 15.814 103 HA ASN 14 HA ASN 14 -11.129 11.348 13.233 104 HB2 ASN 14 HB2 ASN 14 -12.234 13.447 15.108 105 HB3 ASN 14 HB3 ASN 14 -13.095 12.613 13.821 106 HD21 ASN 14 HD21 ASN 14 -13.849 10.557 14.168 107 HD22 ASN 14 HD22 ASN 14 -13.850 9.805 15.717 108 H ASN 15 H ASN 15 -11.087 12.486 11.375 109 HA ASN 15 HA ASN 15 -10.643 14.086 9.839 110 HB2 ASN 15 HB2 ASN 15 -10.677 16.133 12.074 111 HB3 ASN 15 HB3 ASN 15 -10.995 16.405 10.364 112 HD21 ASN 15 HD21 ASN 15 -12.251 15.299 13.364 113 HD22 ASN 15 HD22 ASN 15 -13.894 15.101 12.882 114 H ASP 16 H ASP 16 -8.596 12.785 10.154 115 HA ASP 16 HA ASP 16 -6.361 14.629 10.246 116 HB2 ASP 16 HB2 ASP 16 -6.607 13.867 12.600 117 HB3 ASP 16 HB3 ASP 16 -6.440 12.203 12.047 118 H HIS 17 H HIS 17 -7.055 11.150 10.320 119 HA HIS 17 HA HIS 17 -5.828 10.891 7.709 120 HB2 HIS 17 HB2 HIS 17 -4.465 8.951 8.436 121 HB3 HIS 17 HB3 HIS 17 -3.953 10.467 9.161 122 HD1 HIS 17 HD1 HIS 17 -4.442 10.756 11.745 123 HD2 HIS 17 HD2 HIS 17 -5.164 6.971 10.180 124 HE1 HIS 17 HE1 HIS 17 -4.630 9.219 13.730 125 HE2 HIS 17 HE2 HIS 17 -4.679 6.936 12.717 126 H ILE 18 H ILE 18 -6.302 8.797 6.690 127 HA ILE 18 HA ILE 18 -8.958 7.933 7.549 128 HB ILE 18 HB ILE 18 -9.391 7.334 5.213 129 HG12 ILE 18 HG12 ILE 18 -6.779 8.733 4.558 130 HG13 ILE 18 HG13 ILE 18 -6.978 6.979 4.572 131 HG21 ILE 18 HG21 ILE 18 -9.527 9.653 4.343 132 HG22 ILE 18 HG22 ILE 18 -8.514 10.172 5.692 133 HG23 ILE 18 HG23 ILE 18 -10.109 9.484 5.999 134 HD11 ILE 18 HD11 ILE 18 -8.643 7.175 2.793 135 HD12 ILE 18 HD12 ILE 18 -7.094 7.877 2.325 136 HD13 ILE 18 HD13 ILE 18 -8.431 8.927 2.793 137 H ASN 19 H ASN 19 -9.553 5.752 6.674 138 HA ASN 19 HA ASN 19 -7.472 3.846 7.449 139 HB2 ASN 19 HB2 ASN 19 -10.407 3.313 6.958 140 HB3 ASN 19 HB3 ASN 19 -9.261 2.266 7.782 141 HD21 ASN 19 HD21 ASN 19 -11.308 5.045 8.031 142 HD22 ASN 19 HD22 ASN 19 -11.163 5.255 9.733 143 H LEU 20 H LEU 20 -6.779 2.278 6.054 144 HA LEU 20 HA LEU 20 -8.058 2.128 3.411 145 HB2 LEU 20 HB2 LEU 20 -5.257 2.796 4.023 146 HB3 LEU 20 HB3 LEU 20 -5.465 1.565 2.795 147 HG LEU 20 HG LEU 20 -5.266 3.609 1.644 148 HD11 LEU 20 HD11 LEU 20 -7.326 3.816 0.461 149 HD12 LEU 20 HD12 LEU 20 -8.227 3.105 1.792 150 HD13 LEU 20 HD13 LEU 20 -7.088 2.118 0.874 151 HD21 LEU 20 HD21 LEU 20 -5.626 5.137 3.481 152 HD22 LEU 20 HD22 LEU 20 -7.342 4.733 3.509 153 HD23 LEU 20 HD23 LEU 20 -6.655 5.569 2.117 154 H LYS 21 H LYS 21 -7.483 0.176 2.222 155 HA LYS 21 HA LYS 21 -6.700 -2.083 3.906 156 HB2 LYS 21 HB2 LYS 21 -9.152 -1.925 2.167 157 HB3 LYS 21 HB3 LYS 21 -8.552 -3.402 2.901 158 HG2 LYS 21 HG2 LYS 21 -9.014 -2.645 5.050 159 HG3 LYS 21 HG3 LYS 21 -9.291 -0.993 4.496 160 HD2 LYS 21 HD2 LYS 21 -11.424 -1.994 4.951 161 HD3 LYS 21 HD3 LYS 21 -11.255 -1.835 3.202 162 HE2 LYS 21 HE2 LYS 21 -10.608 -4.186 3.058 163 HE3 LYS 21 HE3 LYS 21 -10.771 -4.346 4.804 164 HZ1 LYS 21 HZ1 LYS 21 -13.155 -3.675 4.503 165 HZ2 LYS 21 HZ2 LYS 21 -12.750 -5.162 3.822 166 HZ3 LYS 21 HZ3 LYS 21 -12.925 -3.812 2.831 167 H VAL 22 H VAL 22 -5.786 -3.766 2.746 168 HA VAL 22 HA VAL 22 -5.382 -3.255 -0.121 169 HB VAL 22 HB VAL 22 -3.234 -4.205 1.793 170 HG11 VAL 22 HG11 VAL 22 -3.156 -3.891 -1.194 171 HG12 VAL 22 HG12 VAL 22 -3.142 -5.417 -0.308 172 HG13 VAL 22 HG13 VAL 22 -1.788 -4.296 -0.158 173 HG21 VAL 22 HG21 VAL 22 -3.674 -1.758 1.747 174 HG22 VAL 22 HG22 VAL 22 -3.316 -1.767 0.021 175 HG23 VAL 22 HG23 VAL 22 -2.063 -2.196 1.187 176 H ALA 23 H ALA 23 -6.191 -4.795 -1.246 177 HA ALA 23 HA ALA 23 -6.579 -7.433 -0.075 178 HB1 ALA 23 HB1 ALA 23 -7.967 -7.882 -2.031 179 HB2 ALA 23 HB2 ALA 23 -7.540 -6.307 -2.703 180 HB3 ALA 23 HB3 ALA 23 -8.487 -6.405 -1.214 181 H GLY 24 H GLY 24 -5.297 -9.032 -0.531 182 HA2 GLY 24 HA2 GLY 24 -3.138 -8.546 -2.424 183 HA3 GLY 24 HA3 GLY 24 -3.154 -9.778 -1.168 184 H GLN 25 H GLN 25 -2.457 -10.342 -3.747 185 HA GLN 25 HA GLN 25 -4.565 -11.324 -5.316 186 HB2 GLN 25 HB2 GLN 25 -2.659 -12.834 -6.290 187 HB3 GLN 25 HB3 GLN 25 -2.657 -11.098 -6.555 188 HG2 GLN 25 HG2 GLN 25 -0.430 -12.142 -5.971 189 HG3 GLN 25 HG3 GLN 25 -0.916 -10.751 -5.011 190 HE21 GLN 25 HE21 GLN 25 -0.656 -14.235 -5.024 191 HE22 GLN 25 HE22 GLN 25 -0.586 -14.423 -3.298 192 H ASP 26 H ASP 26 -3.147 -12.564 -2.472 193 HA ASP 26 HA ASP 26 -3.915 -15.305 -2.820 194 HB2 ASP 26 HB2 ASP 26 -2.740 -13.671 -0.657 195 HB3 ASP 26 HB3 ASP 26 -3.715 -15.037 -0.130 196 H GLY 27 H GLY 27 -5.676 -12.549 -2.338 197 HA2 GLY 27 HA2 GLY 27 -8.010 -12.455 -2.228 198 HA3 GLY 27 HA3 GLY 27 -8.042 -14.112 -1.658 199 H SER 28 H SER 28 -5.829 -12.234 -0.017 200 HA SER 28 HA SER 28 -7.641 -12.011 2.264 201 HB2 SER 28 HB2 SER 28 -5.468 -13.293 2.474 202 HB3 SER 28 HB3 SER 28 -4.636 -11.753 2.296 203 HG SER 28 HG SER 28 -4.854 -11.991 4.454 204 H VAL 29 H VAL 29 -7.476 -10.111 3.577 205 HA VAL 29 HA VAL 29 -6.410 -7.807 2.154 206 HB VAL 29 HB VAL 29 -8.830 -8.025 1.609 207 HG11 VAL 29 HG11 VAL 29 -10.498 -7.396 3.327 208 HG12 VAL 29 HG12 VAL 29 -9.218 -7.407 4.539 209 HG13 VAL 29 HG13 VAL 29 -9.665 -8.905 3.718 210 HG21 VAL 29 HG21 VAL 29 -9.384 -5.655 2.023 211 HG22 VAL 29 HG22 VAL 29 -7.727 -5.870 1.455 212 HG23 VAL 29 HG23 VAL 29 -8.038 -5.562 3.162 213 H VAL 30 H VAL 30 -5.471 -6.294 3.454 214 HA VAL 30 HA VAL 30 -5.679 -6.739 6.332 215 HB VAL 30 HB VAL 30 -3.417 -6.913 5.363 216 HG11 VAL 30 HG11 VAL 30 -3.748 -4.019 4.606 217 HG12 VAL 30 HG12 VAL 30 -3.696 -5.384 3.491 218 HG13 VAL 30 HG13 VAL 30 -2.273 -4.975 4.451 219 HG21 VAL 30 HG21 VAL 30 -2.293 -5.226 6.846 220 HG22 VAL 30 HG22 VAL 30 -3.500 -6.235 7.643 221 HG23 VAL 30 HG23 VAL 30 -3.892 -4.572 7.200 222 H GLN 31 H GLN 31 -6.239 -5.057 7.704 223 HA GLN 31 HA GLN 31 -7.179 -2.606 6.401 224 HB2 GLN 31 HB2 GLN 31 -8.057 -3.659 9.063 225 HB3 GLN 31 HB3 GLN 31 -8.850 -2.458 8.051 226 HG2 GLN 31 HG2 GLN 31 -9.241 -4.204 6.346 227 HG3 GLN 31 HG3 GLN 31 -8.574 -5.392 7.461 228 HE21 GLN 31 HE21 GLN 31 -11.200 -3.277 6.771 229 HE22 GLN 31 HE22 GLN 31 -12.299 -3.986 7.888 230 H PHE 32 H PHE 32 -6.335 -0.759 7.002 231 HA PHE 32 HA PHE 32 -4.829 -0.443 9.466 232 HB2 PHE 32 HB2 PHE 32 -2.761 0.258 8.268 233 HB3 PHE 32 HB3 PHE 32 -3.117 -1.463 8.123 234 HD1 PHE 32 HD1 PHE 32 -4.373 -2.192 5.984 235 HD2 PHE 32 HD2 PHE 32 -2.343 1.527 6.366 236 HE1 PHE 32 HE1 PHE 32 -4.305 -1.985 3.547 237 HE2 PHE 32 HE2 PHE 32 -2.268 1.738 3.941 238 HZ PHE 32 HZ PHE 32 -3.244 -0.012 2.521 239 H LYS 33 H LYS 33 -3.770 1.755 9.514 240 HA LYS 33 HA LYS 33 -5.582 3.700 8.238 241 HB2 LYS 33 HB2 LYS 33 -4.217 4.063 10.909 242 HB3 LYS 33 HB3 LYS 33 -5.438 5.102 10.186 243 HG2 LYS 33 HG2 LYS 33 -6.947 3.027 10.248 244 HG3 LYS 33 HG3 LYS 33 -5.761 2.377 11.373 245 HD2 LYS 33 HD2 LYS 33 -7.193 5.011 11.738 246 HD3 LYS 33 HD3 LYS 33 -7.679 3.497 12.500 247 HE2 LYS 33 HE2 LYS 33 -5.002 4.836 12.853 248 HE3 LYS 33 HE3 LYS 33 -6.345 4.960 13.983 249 HZ1 LYS 33 HZ1 LYS 33 -6.236 2.563 14.308 250 HZ2 LYS 33 HZ2 LYS 33 -4.764 3.291 14.689 251 HZ3 LYS 33 HZ3 LYS 33 -4.935 2.454 13.235 252 H ILE 34 H ILE 34 -4.715 5.572 7.355 253 HA ILE 34 HA ILE 34 -1.858 6.061 7.580 254 HB ILE 34 HB ILE 34 -1.946 4.484 5.714 255 HG12 ILE 34 HG12 ILE 34 -1.504 7.305 4.703 256 HG13 ILE 34 HG13 ILE 34 -0.328 6.359 5.606 257 HG21 ILE 34 HG21 ILE 34 -4.248 4.796 5.041 258 HG22 ILE 34 HG22 ILE 34 -3.170 4.994 3.657 259 HG23 ILE 34 HG23 ILE 34 -3.876 6.411 4.437 260 HD11 ILE 34 HD11 ILE 34 0.129 6.385 3.205 261 HD12 ILE 34 HD12 ILE 34 -1.438 5.629 2.904 262 HD13 ILE 34 HD13 ILE 34 -0.194 4.759 3.803 263 H LYS 35 H LYS 35 -1.260 8.185 6.973 264 HA LYS 35 HA LYS 35 -3.448 10.067 7.123 265 HB2 LYS 35 HB2 LYS 35 -0.534 10.754 6.858 266 HB3 LYS 35 HB3 LYS 35 -1.825 11.733 7.548 267 HG2 LYS 35 HG2 LYS 35 -2.027 9.768 9.236 268 HG3 LYS 35 HG3 LYS 35 -0.391 9.404 8.703 269 HD2 LYS 35 HD2 LYS 35 -1.300 12.045 9.847 270 HD3 LYS 35 HD3 LYS 35 -0.380 10.813 10.711 271 HE2 LYS 35 HE2 LYS 35 1.388 11.045 8.940 272 HE3 LYS 35 HE3 LYS 35 0.493 12.436 8.331 273 HZ1 LYS 35 HZ1 LYS 35 1.649 12.156 11.046 274 HZ2 LYS 35 HZ2 LYS 35 0.757 13.485 10.509 275 HZ3 LYS 35 HZ3 LYS 35 2.248 13.134 9.807 276 H ARG 36 H ARG 36 -3.587 11.900 5.700 277 HA ARG 36 HA ARG 36 -3.702 11.043 2.997 278 HB2 ARG 36 HB2 ARG 36 -3.934 13.909 3.884 279 HB3 ARG 36 HB3 ARG 36 -4.710 13.126 2.519 280 HG2 ARG 36 HG2 ARG 36 -5.370 12.807 5.437 281 HG3 ARG 36 HG3 ARG 36 -6.368 13.526 4.173 282 HD2 ARG 36 HD2 ARG 36 -5.559 10.627 4.401 283 HD3 ARG 36 HD3 ARG 36 -7.150 11.292 4.742 284 HE ARG 36 HE ARG 36 -5.942 10.908 2.115 285 HH11 ARG 36 HH11 ARG 36 -8.667 12.023 4.006 286 HH12 ARG 36 HH12 ARG 36 -9.794 11.944 2.699 287 HH21 ARG 36 HH21 ARG 36 -7.439 10.829 0.336 288 HH22 ARG 36 HH22 ARG 36 -9.084 11.270 0.598 289 H HIS 37 H HIS 37 -1.474 12.997 4.862 290 HA HIS 37 HA HIS 37 0.034 13.739 2.471 291 HB2 HIS 37 HB2 HIS 37 0.395 14.489 5.377 292 HB3 HIS 37 HB3 HIS 37 1.398 15.087 4.058 293 HD1 HIS 37 HD1 HIS 37 -1.250 16.179 6.075 294 HD2 HIS 37 HD2 HIS 37 -0.530 16.341 1.985 295 HE1 HIS 37 HE1 HIS 37 -2.713 18.025 5.205 296 HE2 HIS 37 HE2 HIS 37 -2.336 18.043 2.714 297 H THR 38 H THR 38 -0.149 11.067 4.177 298 HA THR 38 HA THR 38 2.686 10.643 4.586 299 HB THR 38 HB THR 38 0.227 9.099 5.421 300 HG1 THR 38 HG1 THR 38 2.407 9.938 7.013 301 HG21 THR 38 HG21 THR 38 1.723 7.418 6.415 302 HG22 THR 38 HG22 THR 38 3.113 8.213 5.668 303 HG23 THR 38 HG23 THR 38 1.886 7.453 4.656 304 HA PRO 39 HA PRO 39 3.127 8.753 0.597 305 HB2 PRO 39 HB2 PRO 39 5.420 7.354 1.121 306 HB3 PRO 39 HB3 PRO 39 5.389 9.085 0.756 307 HG2 PRO 39 HG2 PRO 39 5.539 7.699 3.406 308 HG3 PRO 39 HG3 PRO 39 6.428 9.122 2.836 309 HD2 PRO 39 HD2 PRO 39 4.315 9.344 4.466 310 HD3 PRO 39 HD3 PRO 39 4.628 10.541 3.197 311 H LEU 40 H LEU 40 2.758 6.808 -0.424 312 HA LEU 40 HA LEU 40 1.406 4.806 0.990 313 HB2 LEU 40 HB2 LEU 40 2.496 4.950 -1.807 314 HB3 LEU 40 HB3 LEU 40 1.606 3.557 -1.216 315 HG LEU 40 HG LEU 40 0.499 6.349 -1.249 316 HD11 LEU 40 HD11 LEU 40 0.149 4.146 -3.264 317 HD12 LEU 40 HD12 LEU 40 0.986 5.678 -3.523 318 HD13 LEU 40 HD13 LEU 40 -0.753 5.660 -3.235 319 HD21 LEU 40 HD21 LEU 40 -0.568 4.848 0.331 320 HD22 LEU 40 HD22 LEU 40 -0.816 3.668 -0.958 321 HD23 LEU 40 HD23 LEU 40 -1.645 5.222 -1.014 322 H SER 41 H SER 41 4.742 5.320 0.644 323 HA SER 41 HA SER 41 5.875 2.825 0.499 324 HB2 SER 41 HB2 SER 41 6.711 5.085 2.342 325 HB3 SER 41 HB3 SER 41 7.724 3.718 1.882 326 HG SER 41 HG SER 41 7.833 4.468 -0.178 327 HH31 ALY 42 HH31 ALY 42 -1.250 1.054 9.339 328 HH32 ALY 42 HH32 ALY 42 -0.078 0.535 10.568 329 HH33 ALY 42 HH33 ALY 42 0.221 0.227 8.844 330 HZ ALY 42 HZ ALY 42 -0.345 2.721 7.727 331 HE3 ALY 42 HE3 ALY 42 1.487 4.626 8.216 332 HE2 ALY 42 HE2 ALY 42 2.478 3.188 7.982 333 HD3 ALY 42 HD3 ALY 42 1.370 2.861 5.774 334 HD2 ALY 42 HD2 ALY 42 0.527 4.389 6.021 335 HG3 ALY 42 HG3 ALY 42 2.478 4.720 4.600 336 HG2 ALY 42 HG2 ALY 42 2.704 5.548 6.138 337 HB3 ALY 42 HB3 ALY 42 4.741 4.546 5.883 338 HB2 ALY 42 HB2 ALY 42 3.906 3.326 6.809 339 HCA ALY 42 HCA ALY 42 5.114 2.193 5.106 340 H ALY 42 H ALY 42 4.488 4.383 3.411 341 H LEU 43 H LEU 43 2.312 3.103 3.209 342 HA LEU 43 HA LEU 43 0.501 1.204 4.204 343 HB2 LEU 43 HB2 LEU 43 -0.366 2.969 2.873 344 HB3 LEU 43 HB3 LEU 43 0.743 2.638 1.562 345 HG LEU 43 HG LEU 43 -1.309 0.576 2.264 346 HD11 LEU 43 HD11 LEU 43 -2.574 2.662 2.170 347 HD12 LEU 43 HD12 LEU 43 -2.903 1.650 0.761 348 HD13 LEU 43 HD13 LEU 43 -1.834 3.042 0.614 349 HD21 LEU 43 HD21 LEU 43 -1.216 0.208 -0.175 350 HD22 LEU 43 HD22 LEU 43 0.368 0.052 0.587 351 HD23 LEU 43 HD23 LEU 43 -0.042 1.526 -0.309 352 H MET 44 H MET 44 2.728 1.095 1.471 353 HA MET 44 HA MET 44 2.170 -1.524 0.660 354 HB2 MET 44 HB2 MET 44 4.493 0.329 0.304 355 HB3 MET 44 HB3 MET 44 4.627 -1.347 -0.208 356 HG2 MET 44 HG2 MET 44 2.943 -1.125 -1.784 357 HG3 MET 44 HG3 MET 44 2.371 0.406 -1.148 358 HE1 MET 44 HE1 MET 44 3.717 1.420 -4.653 359 HE2 MET 44 HE2 MET 44 2.378 1.541 -3.514 360 HE3 MET 44 HE3 MET 44 2.814 -0.025 -4.200 361 H LYS 45 H LYS 45 4.689 -0.240 2.801 362 HA LYS 45 HA LYS 45 5.895 -2.685 3.382 363 HB2 LYS 45 HB2 LYS 45 6.955 -0.536 3.881 364 HB3 LYS 45 HB3 LYS 45 5.724 -0.189 5.082 365 HG2 LYS 45 HG2 LYS 45 7.832 -0.895 6.090 366 HG3 LYS 45 HG3 LYS 45 6.522 -2.013 6.475 367 HD2 LYS 45 HD2 LYS 45 8.467 -3.304 5.958 368 HD3 LYS 45 HD3 LYS 45 7.352 -3.463 4.603 369 HE2 LYS 45 HE2 LYS 45 9.618 -3.141 3.792 370 HE3 LYS 45 HE3 LYS 45 8.623 -1.748 3.380 371 HZ1 LYS 45 HZ1 LYS 45 10.480 -1.874 5.691 372 HZ2 LYS 45 HZ2 LYS 45 9.604 -0.516 5.187 373 HZ3 LYS 45 HZ3 LYS 45 10.832 -1.146 4.209 374 H ALA 46 H ALA 46 3.242 -0.995 4.991 375 HA ALA 46 HA ALA 46 2.948 -2.645 7.236 376 HB1 ALA 46 HB1 ALA 46 0.655 -1.832 7.376 377 HB2 ALA 46 HB2 ALA 46 0.748 -1.249 5.714 378 HB3 ALA 46 HB3 ALA 46 1.754 -0.515 6.963 379 H TYR 47 H TYR 47 1.322 -2.890 4.069 380 HA TYR 47 HA TYR 47 -0.052 -5.271 4.634 381 HB2 TYR 47 HB2 TYR 47 -0.820 -4.074 2.762 382 HB3 TYR 47 HB3 TYR 47 0.788 -3.952 2.058 383 HD1 TYR 47 HD1 TYR 47 -2.051 -6.230 2.682 384 HD2 TYR 47 HD2 TYR 47 1.651 -5.695 0.665 385 HE1 TYR 47 HE1 TYR 47 -2.510 -8.228 1.338 386 HE2 TYR 47 HE2 TYR 47 1.204 -7.691 -0.697 387 HH TYR 47 HH TYR 47 -0.136 -9.746 -0.574 388 H CYS 48 H CYS 48 3.109 -4.648 3.288 389 HA CYS 48 HA CYS 48 3.678 -7.324 2.530 390 HB2 CYS 48 HB2 CYS 48 5.587 -5.071 3.145 391 HB3 CYS 48 HB3 CYS 48 6.032 -6.593 2.372 392 HG CYS 48 HG CYS 48 3.978 -4.186 1.121 393 H GLU 49 H GLU 49 4.152 -5.563 5.505 394 HA GLU 49 HA GLU 49 5.768 -7.499 6.797 395 HB2 GLU 49 HB2 GLU 49 3.927 -5.403 7.938 396 HB3 GLU 49 HB3 GLU 49 5.120 -6.309 8.861 397 HG2 GLU 49 HG2 GLU 49 5.795 -4.597 6.503 398 HG3 GLU 49 HG3 GLU 49 5.806 -4.006 8.154 399 H ARG 50 H ARG 50 2.301 -7.009 6.548 400 HA ARG 50 HA ARG 50 1.579 -8.926 8.522 401 HB2 ARG 50 HB2 ARG 50 -0.062 -7.910 6.203 402 HB3 ARG 50 HB3 ARG 50 -0.683 -8.724 7.631 403 HG2 ARG 50 HG2 ARG 50 0.689 -6.044 7.582 404 HG3 ARG 50 HG3 ARG 50 -1.043 -6.327 7.746 405 HD2 ARG 50 HD2 ARG 50 -0.697 -7.450 9.856 406 HD3 ARG 50 HD3 ARG 50 1.049 -7.316 9.674 407 HE ARG 50 HE ARG 50 0.767 -4.886 9.852 408 HH11 ARG 50 HH11 ARG 50 -1.855 -6.922 11.027 409 HH12 ARG 50 HH12 ARG 50 -2.420 -5.749 12.161 410 HH21 ARG 50 HH21 ARG 50 0.015 -3.341 11.366 411 HH22 ARG 50 HH22 ARG 50 -1.356 -3.711 12.361 412 H GLN 51 H GLN 51 1.822 -9.099 4.984 413 HA GLN 51 HA GLN 51 1.083 -11.904 4.954 414 HB2 GLN 51 HB2 GLN 51 1.889 -9.908 2.870 415 HB3 GLN 51 HB3 GLN 51 1.859 -11.619 2.482 416 HG2 GLN 51 HG2 GLN 51 -0.190 -10.101 1.969 417 HG3 GLN 51 HG3 GLN 51 -0.424 -11.737 2.571 418 HE21 GLN 51 HE21 GLN 51 -0.209 -8.386 3.583 419 HE22 GLN 51 HE22 GLN 51 -1.327 -8.525 4.900 420 H GLY 52 H GLY 52 3.945 -10.035 5.187 421 HA2 GLY 52 HA2 GLY 52 6.042 -10.751 5.733 422 HA3 GLY 52 HA3 GLY 52 5.517 -12.414 5.495 423 H LEU 53 H LEU 53 4.649 -10.585 2.872 424 HA LEU 53 HA LEU 53 6.729 -11.772 1.274 425 HB2 LEU 53 HB2 LEU 53 5.381 -10.825 -0.642 426 HB3 LEU 53 HB3 LEU 53 4.598 -12.042 0.342 427 HG LEU 53 HG LEU 53 3.419 -10.143 1.539 428 HD11 LEU 53 HD11 LEU 53 4.904 -8.340 0.877 429 HD12 LEU 53 HD12 LEU 53 3.245 -8.029 0.363 430 HD13 LEU 53 HD13 LEU 53 4.447 -8.579 -0.809 431 HD21 LEU 53 HD21 LEU 53 2.912 -10.518 -1.404 432 HD22 LEU 53 HD22 LEU 53 1.762 -9.874 -0.231 433 HD23 LEU 53 HD23 LEU 53 2.317 -11.543 -0.098 434 H SER 54 H SER 54 7.406 -10.307 -0.688 435 HA SER 54 HA SER 54 8.756 -8.016 0.519 436 HB2 SER 54 HB2 SER 54 9.219 -9.528 -2.048 437 HB3 SER 54 HB3 SER 54 10.200 -8.168 -1.520 438 HG SER 54 HG SER 54 9.828 -10.246 0.300 439 H MET 55 H MET 55 8.371 -5.936 -0.119 440 HA MET 55 HA MET 55 6.071 -5.351 -1.682 441 HB2 MET 55 HB2 MET 55 6.816 -2.956 -1.510 442 HB3 MET 55 HB3 MET 55 6.613 -3.780 0.025 443 HG2 MET 55 HG2 MET 55 8.859 -3.770 0.485 444 HG3 MET 55 HG3 MET 55 9.322 -3.673 -1.217 445 HE1 MET 55 HE1 MET 55 7.594 -1.749 1.729 446 HE2 MET 55 HE2 MET 55 6.542 -1.349 0.372 447 HE3 MET 55 HE3 MET 55 7.543 -0.099 1.111 448 H ARG 56 H ARG 56 9.332 -5.900 -2.481 449 HA ARG 56 HA ARG 56 9.220 -4.476 -4.987 450 HB2 ARG 56 HB2 ARG 56 11.444 -5.281 -5.374 451 HB3 ARG 56 HB3 ARG 56 11.325 -4.705 -3.721 452 HG2 ARG 56 HG2 ARG 56 11.064 -7.049 -2.977 453 HG3 ARG 56 HG3 ARG 56 11.336 -7.566 -4.641 454 HD2 ARG 56 HD2 ARG 56 13.243 -5.999 -2.918 455 HD3 ARG 56 HD3 ARG 56 13.389 -7.705 -3.349 456 HE ARG 56 HE ARG 56 13.246 -6.155 -5.698 457 HH11 ARG 56 HH11 ARG 56 15.456 -6.786 -3.040 458 HH12 ARG 56 HH12 ARG 56 16.872 -6.468 -3.986 459 HH21 ARG 56 HH21 ARG 56 15.127 -5.730 -6.935 460 HH22 ARG 56 HH22 ARG 56 16.687 -5.859 -6.192 461 H GLN 57 H GLN 57 8.052 -7.400 -3.893 462 HA GLN 57 HA GLN 57 8.192 -8.663 -6.550 463 HB2 GLN 57 HB2 GLN 57 7.357 -9.874 -3.910 464 HB3 GLN 57 HB3 GLN 57 7.610 -10.736 -5.422 465 HG2 GLN 57 HG2 GLN 57 9.766 -9.198 -4.012 466 HG3 GLN 57 HG3 GLN 57 9.464 -10.913 -3.744 467 HE21 GLN 57 HE21 GLN 57 10.477 -8.504 -6.046 468 HE22 GLN 57 HE22 GLN 57 11.289 -9.589 -7.112 469 H ILE 58 H ILE 58 6.268 -6.555 -5.198 470 HA ILE 58 HA ILE 58 3.859 -7.737 -6.370 471 HB ILE 58 HB ILE 58 2.515 -6.646 -4.537 472 HG12 ILE 58 HG12 ILE 58 5.144 -6.706 -3.066 473 HG13 ILE 58 HG13 ILE 58 4.382 -5.243 -3.674 474 HG21 ILE 58 HG21 ILE 58 4.285 -8.984 -3.957 475 HG22 ILE 58 HG22 ILE 58 2.614 -8.974 -4.555 476 HG23 ILE 58 HG23 ILE 58 2.965 -8.489 -2.897 477 HD11 ILE 58 HD11 ILE 58 3.236 -7.109 -1.621 478 HD12 ILE 58 HD12 ILE 58 2.460 -5.648 -2.230 479 HD13 ILE 58 HD13 ILE 58 3.960 -5.532 -1.306 480 H ARG 59 H ARG 59 2.098 -6.058 -6.490 481 HA ARG 59 HA ARG 59 3.072 -3.342 -6.895 482 HB2 ARG 59 HB2 ARG 59 1.733 -5.059 -8.961 483 HB3 ARG 59 HB3 ARG 59 1.577 -3.310 -9.001 484 HG2 ARG 59 HG2 ARG 59 4.179 -4.802 -9.042 485 HG3 ARG 59 HG3 ARG 59 3.344 -4.170 -10.468 486 HD2 ARG 59 HD2 ARG 59 4.283 -2.515 -8.127 487 HD3 ARG 59 HD3 ARG 59 5.135 -2.684 -9.648 488 HE ARG 59 HE ARG 59 2.550 -1.831 -10.222 489 HH11 ARG 59 HH11 ARG 59 5.490 -0.654 -8.707 490 HH12 ARG 59 HH12 ARG 59 5.147 1.012 -9.011 491 HH21 ARG 59 HH21 ARG 59 2.088 0.370 -10.648 492 HH22 ARG 59 HH22 ARG 59 3.185 1.597 -10.123 493 H PHE 60 H PHE 60 1.527 -1.770 -6.674 494 HA PHE 60 HA PHE 60 -1.003 -2.724 -5.507 495 HB2 PHE 60 HB2 PHE 60 0.600 -0.227 -4.804 496 HB3 PHE 60 HB3 PHE 60 -1.038 -0.526 -4.265 497 HD1 PHE 60 HD1 PHE 60 2.208 -2.371 -4.349 498 HD2 PHE 60 HD2 PHE 60 -1.260 -1.294 -2.142 499 HE1 PHE 60 HE1 PHE 60 3.085 -3.568 -2.391 500 HE2 PHE 60 HE2 PHE 60 -0.384 -2.491 -0.180 501 HZ PHE 60 HZ PHE 60 1.792 -3.639 -0.305 502 H ARG 61 H ARG 61 -2.819 -2.135 -6.488 503 HA ARG 61 HA ARG 61 -2.741 0.194 -8.286 504 HB2 ARG 61 HB2 ARG 61 -3.892 -0.929 -10.007 505 HB3 ARG 61 HB3 ARG 61 -2.699 -2.097 -9.461 506 HG2 ARG 61 HG2 ARG 61 -4.482 -3.480 -9.525 507 HG3 ARG 61 HG3 ARG 61 -4.725 -2.807 -7.914 508 HD2 ARG 61 HD2 ARG 61 -6.219 -1.091 -8.884 509 HD3 ARG 61 HD3 ARG 61 -6.038 -1.856 -10.457 510 HE ARG 61 HE ARG 61 -7.430 -2.988 -8.125 511 HH11 ARG 61 HH11 ARG 61 -6.671 -3.114 -11.548 512 HH12 ARG 61 HH12 ARG 61 -7.986 -4.169 -11.927 513 HH21 ARG 61 HH21 ARG 61 -9.149 -4.389 -8.616 514 HH22 ARG 61 HH22 ARG 61 -9.402 -4.904 -10.251 515 H PHE 62 H PHE 62 -4.598 1.435 -8.378 516 HA PHE 62 HA PHE 62 -6.837 0.665 -6.665 517 HB2 PHE 62 HB2 PHE 62 -5.404 2.019 -5.240 518 HB3 PHE 62 HB3 PHE 62 -5.297 3.256 -6.484 519 HD1 PHE 62 HD1 PHE 62 -7.546 1.640 -4.070 520 HD2 PHE 62 HD2 PHE 62 -6.967 4.900 -6.731 521 HE1 PHE 62 HE1 PHE 62 -9.501 2.768 -3.107 522 HE2 PHE 62 HE2 PHE 62 -8.925 6.041 -5.772 523 HZ PHE 62 HZ PHE 62 -10.195 4.970 -3.954 524 H ASP 63 H ASP 63 -8.744 1.148 -7.607 525 HA ASP 63 HA ASP 63 -10.299 1.968 -9.090 526 HB2 ASP 63 HB2 ASP 63 -9.237 4.126 -7.976 527 HB3 ASP 63 HB3 ASP 63 -8.642 4.382 -9.590 528 H GLY 64 H GLY 64 -8.069 0.394 -10.205 529 HA2 GLY 64 HA2 GLY 64 -7.585 -0.250 -12.361 530 HA3 GLY 64 HA3 GLY 64 -8.440 1.182 -12.921 531 H GLN 65 H GLN 65 -6.435 2.510 -10.778 532 HA GLN 65 HA GLN 65 -4.312 2.785 -12.790 533 HB2 GLN 65 HB2 GLN 65 -3.922 5.074 -11.792 534 HB3 GLN 65 HB3 GLN 65 -5.416 4.878 -12.691 535 HG2 GLN 65 HG2 GLN 65 -6.587 4.536 -10.526 536 HG3 GLN 65 HG3 GLN 65 -5.092 4.950 -9.698 537 HE21 GLN 65 HE21 GLN 65 -7.668 6.066 -11.669 538 HE22 GLN 65 HE22 GLN 65 -7.413 7.763 -11.441 539 HA PRO 66 HA PRO 66 -1.611 1.153 -9.723 540 HB2 PRO 66 HB2 PRO 66 0.721 1.614 -10.967 541 HB3 PRO 66 HB3 PRO 66 -0.424 0.411 -11.564 542 HG2 PRO 66 HG2 PRO 66 0.017 3.222 -12.506 543 HG3 PRO 66 HG3 PRO 66 -0.175 1.741 -13.463 544 HD2 PRO 66 HD2 PRO 66 -2.224 3.496 -13.029 545 HD3 PRO 66 HD3 PRO 66 -2.468 1.748 -13.250 546 H ILE 67 H ILE 67 -0.255 1.844 -8.067 547 HA ILE 67 HA ILE 67 0.523 4.669 -8.062 548 HB ILE 67 HB ILE 67 -0.027 4.811 -5.622 549 HG12 ILE 67 HG12 ILE 67 -0.316 2.234 -5.438 550 HG13 ILE 67 HG13 ILE 67 -1.384 3.263 -4.498 551 HG21 ILE 67 HG21 ILE 67 -2.405 5.304 -5.947 552 HG22 ILE 67 HG22 ILE 67 -2.340 4.500 -7.518 553 HG23 ILE 67 HG23 ILE 67 -1.381 5.954 -7.226 554 HD11 ILE 67 HD11 ILE 67 -2.059 1.923 -7.107 555 HD12 ILE 67 HD12 ILE 67 -3.142 2.942 -6.162 556 HD13 ILE 67 HD13 ILE 67 -2.581 1.407 -5.504 557 H ASN 68 H ASN 68 2.456 5.082 -7.240 558 HA ASN 68 HA ASN 68 4.023 2.812 -6.284 559 HB2 ASN 68 HB2 ASN 68 5.919 4.593 -6.493 560 HB3 ASN 68 HB3 ASN 68 5.297 3.845 -7.951 561 HD21 ASN 68 HD21 ASN 68 3.710 6.312 -6.033 562 HD22 ASN 68 HD22 ASN 68 3.776 7.555 -7.232 563 H GLU 69 H GLU 69 5.531 3.188 -4.510 564 HA GLU 69 HA GLU 69 4.194 4.052 -2.202 565 HB2 GLU 69 HB2 GLU 69 6.484 3.832 -1.151 566 HB3 GLU 69 HB3 GLU 69 5.830 2.399 -1.936 567 HG2 GLU 69 HG2 GLU 69 7.274 2.559 -3.712 568 HG3 GLU 69 HG3 GLU 69 7.643 4.257 -3.417 569 H THR 70 H THR 70 6.069 5.812 -4.474 570 HA THR 70 HA THR 70 6.907 7.892 -2.706 571 HB THR 70 HB THR 70 7.576 9.060 -4.805 572 HG1 THR 70 HG1 THR 70 6.231 8.421 -6.385 573 HG21 THR 70 HG21 THR 70 9.276 7.435 -5.465 574 HG22 THR 70 HG22 THR 70 8.361 6.151 -4.677 575 HG23 THR 70 HG23 THR 70 9.078 7.443 -3.711 576 H ASP 71 H ASP 71 3.996 7.085 -3.960 577 HA ASP 71 HA ASP 71 3.062 9.870 -4.036 578 HB2 ASP 71 HB2 ASP 71 2.189 7.432 -5.426 579 HB3 ASP 71 HB3 ASP 71 0.877 8.470 -4.892 580 H THR 72 H THR 72 0.799 10.208 -3.165 581 HA THR 72 HA THR 72 0.596 8.838 -0.566 582 HB THR 72 HB THR 72 -0.489 11.001 0.197 583 HG1 THR 72 HG1 THR 72 0.704 12.589 -1.606 584 HG21 THR 72 HG21 THR 72 1.816 10.489 0.800 585 HG22 THR 72 HG22 THR 72 1.648 12.208 0.449 586 HG23 THR 72 HG23 THR 72 2.381 11.133 -0.744 587 HA PRO 73 HA PRO 73 -3.622 7.770 -1.519 588 HB2 PRO 73 HB2 PRO 73 -4.885 8.257 0.864 589 HB3 PRO 73 HB3 PRO 73 -3.877 6.838 0.566 590 HG2 PRO 73 HG2 PRO 73 -3.189 9.393 1.954 591 HG3 PRO 73 HG3 PRO 73 -2.779 7.728 2.406 592 HD2 PRO 73 HD2 PRO 73 -1.007 9.356 1.219 593 HD3 PRO 73 HD3 PRO 73 -1.042 7.612 0.890 594 H ALA 74 H ALA 74 -2.706 10.916 -0.665 595 HA ALA 74 HA ALA 74 -5.357 12.061 -1.102 596 HB1 ALA 74 HB1 ALA 74 -4.369 14.170 -0.433 597 HB2 ALA 74 HB2 ALA 74 -2.764 13.438 -0.422 598 HB3 ALA 74 HB3 ALA 74 -3.976 12.920 0.746 599 H GLN 75 H GLN 75 -2.579 11.238 -2.829 600 HA GLN 75 HA GLN 75 -2.498 13.348 -4.719 601 HB2 GLN 75 HB2 GLN 75 -0.775 11.462 -4.201 602 HB3 GLN 75 HB3 GLN 75 -1.701 10.536 -5.374 603 HG2 GLN 75 HG2 GLN 75 0.033 11.467 -6.607 604 HG3 GLN 75 HG3 GLN 75 -1.349 12.513 -6.945 605 HE21 GLN 75 HE21 GLN 75 1.701 12.216 -5.364 606 HE22 GLN 75 HE22 GLN 75 1.906 13.892 -4.968 607 H LEU 76 H LEU 76 -4.258 10.343 -4.490 608 HA LEU 76 HA LEU 76 -5.600 10.969 -7.016 609 HB2 LEU 76 HB2 LEU 76 -6.319 8.472 -6.877 610 HB3 LEU 76 HB3 LEU 76 -4.719 8.885 -7.443 611 HG LEU 76 HG LEU 76 -4.877 6.872 -5.922 612 HD11 LEU 76 HD11 LEU 76 -3.078 9.092 -4.979 613 HD12 LEU 76 HD12 LEU 76 -2.757 7.997 -6.320 614 HD13 LEU 76 HD13 LEU 76 -2.857 7.370 -4.675 615 HD21 LEU 76 HD21 LEU 76 -5.503 8.996 -3.894 616 HD22 LEU 76 HD22 LEU 76 -4.896 7.403 -3.470 617 HD23 LEU 76 HD23 LEU 76 -6.452 7.562 -4.288 618 H GLU 77 H GLU 77 -6.026 11.373 -3.868 619 HA GLU 77 HA GLU 77 -7.755 11.684 -2.459 620 HB2 GLU 77 HB2 GLU 77 -9.073 12.238 -5.105 621 HB3 GLU 77 HB3 GLU 77 -9.898 12.474 -3.571 622 HG2 GLU 77 HG2 GLU 77 -7.293 13.786 -4.279 623 HG3 GLU 77 HG3 GLU 77 -8.870 14.522 -4.555 624 H MET 78 H MET 78 -7.413 9.171 -2.305 625 HA MET 78 HA MET 78 -9.689 7.641 -3.142 626 HB2 MET 78 HB2 MET 78 -8.729 5.853 -1.647 627 HB3 MET 78 HB3 MET 78 -7.679 6.405 -2.942 628 HG2 MET 78 HG2 MET 78 -6.427 7.760 -1.389 629 HG3 MET 78 HG3 MET 78 -7.531 7.303 -0.089 630 HE1 MET 78 HE1 MET 78 -6.622 4.654 -2.771 631 HE2 MET 78 HE2 MET 78 -5.080 4.013 -2.201 632 HE3 MET 78 HE3 MET 78 -5.167 5.646 -2.852 633 H GLU 79 H GLU 79 -10.964 6.376 -1.509 634 HA GLU 79 HA GLU 79 -12.110 8.336 0.330 635 HB2 GLU 79 HB2 GLU 79 -13.487 7.199 -1.430 636 HB3 GLU 79 HB3 GLU 79 -13.221 5.682 -0.587 637 HG2 GLU 79 HG2 GLU 79 -14.347 6.612 1.384 638 HG3 GLU 79 HG3 GLU 79 -14.653 8.097 0.484 639 H ASP 80 H ASP 80 -12.902 7.578 2.461 640 HA ASP 80 HA ASP 80 -10.904 6.247 3.947 641 HB2 ASP 80 HB2 ASP 80 -13.773 6.589 4.857 642 HB3 ASP 80 HB3 ASP 80 -12.326 6.431 5.844 643 H GLU 81 H GLU 81 -10.636 4.191 4.452 644 HA GLU 81 HA GLU 81 -10.943 1.988 4.790 645 HB2 GLU 81 HB2 GLU 81 -13.894 2.504 4.393 646 HB3 GLU 81 HB3 GLU 81 -13.183 1.024 5.015 647 HG2 GLU 81 HG2 GLU 81 -12.238 2.424 6.898 648 HG3 GLU 81 HG3 GLU 81 -13.272 3.726 6.318 649 H ASP 82 H ASP 82 -10.775 3.348 2.070 650 HA ASP 82 HA ASP 82 -12.074 1.585 0.252 651 HB2 ASP 82 HB2 ASP 82 -10.830 3.998 -0.033 652 HB3 ASP 82 HB3 ASP 82 -9.612 2.905 -0.677 653 H THR 83 H THR 83 -10.495 0.484 -1.464 654 HA THR 83 HA THR 83 -8.519 -1.060 0.066 655 HB THR 83 HB THR 83 -10.265 -2.468 -1.930 656 HG1 THR 83 HG1 THR 83 -11.392 -1.252 -0.053 657 HG21 THR 83 HG21 THR 83 -8.896 -3.350 0.616 658 HG22 THR 83 HG22 THR 83 -8.243 -3.564 -1.010 659 HG23 THR 83 HG23 THR 83 -9.725 -4.397 -0.537 660 H ILE 84 H ILE 84 -6.858 -2.007 -1.159 661 HA ILE 84 HA ILE 84 -6.529 -0.948 -3.882 662 HB ILE 84 HB ILE 84 -4.474 -1.116 -1.653 663 HG12 ILE 84 HG12 ILE 84 -4.022 1.273 -2.444 664 HG13 ILE 84 HG13 ILE 84 -5.510 1.133 -3.369 665 HG21 ILE 84 HG21 ILE 84 -2.769 -0.451 -3.304 666 HG22 ILE 84 HG22 ILE 84 -3.943 -0.736 -4.588 667 HG23 ILE 84 HG23 ILE 84 -3.406 -2.072 -3.570 668 HD11 ILE 84 HD11 ILE 84 -5.241 0.890 -0.395 669 HD12 ILE 84 HD12 ILE 84 -6.732 0.704 -1.319 670 HD13 ILE 84 HD13 ILE 84 -5.905 2.264 -1.284 671 H ASP 85 H ASP 85 -5.821 -2.413 -5.358 672 HA ASP 85 HA ASP 85 -5.816 -5.184 -4.471 673 HB2 ASP 85 HB2 ASP 85 -5.927 -3.888 -7.170 674 HB3 ASP 85 HB3 ASP 85 -5.760 -5.631 -6.973 675 H VAL 86 H VAL 86 -4.108 -6.546 -4.584 676 HA VAL 86 HA VAL 86 -1.574 -5.396 -5.483 677 HB VAL 86 HB VAL 86 -2.278 -6.815 -2.943 678 HG11 VAL 86 HG11 VAL 86 0.061 -7.425 -2.553 679 HG12 VAL 86 HG12 VAL 86 0.465 -6.939 -4.203 680 HG13 VAL 86 HG13 VAL 86 -0.615 -8.306 -3.922 681 HG21 VAL 86 HG21 VAL 86 -1.991 -4.416 -2.979 682 HG22 VAL 86 HG22 VAL 86 -0.366 -4.604 -3.640 683 HG23 VAL 86 HG23 VAL 86 -0.733 -5.184 -2.015 684 H PHE 87 H PHE 87 -0.234 -6.678 -6.636 685 HA PHE 87 HA PHE 87 -0.957 -9.475 -7.021 686 HB2 PHE 87 HB2 PHE 87 -0.472 -9.047 -9.569 687 HB3 PHE 87 HB3 PHE 87 -2.085 -8.772 -8.899 688 HD1 PHE 87 HD1 PHE 87 -2.748 -6.406 -8.351 689 HD2 PHE 87 HD2 PHE 87 0.722 -7.350 -10.623 690 HE1 PHE 87 HE1 PHE 87 -2.706 -4.121 -9.212 691 HE2 PHE 87 HE2 PHE 87 0.768 -5.051 -11.502 692 HZ PHE 87 HZ PHE 87 -0.950 -3.431 -10.799 693 H GLN 88 H GLN 88 0.718 -10.788 -7.861 694 HA GLN 88 HA GLN 88 3.374 -9.625 -7.360 695 HB2 GLN 88 HB2 GLN 88 2.391 -12.458 -7.084 696 HB3 GLN 88 HB3 GLN 88 4.084 -12.001 -6.975 697 HG2 GLN 88 HG2 GLN 88 3.519 -10.510 -5.122 698 HG3 GLN 88 HG3 GLN 88 1.863 -11.117 -5.163 699 HE21 GLN 88 HE21 GLN 88 3.936 -11.172 -3.109 700 HE22 GLN 88 HE22 GLN 88 4.133 -12.835 -2.678 701 H GLN 89 H GLN 89 4.309 -9.147 -9.247 702 HA GLN 89 HA GLN 89 3.865 -10.286 -11.733 703 HB2 GLN 89 HB2 GLN 89 6.539 -9.245 -10.834 704 HB3 GLN 89 HB3 GLN 89 5.913 -9.314 -12.471 705 HG2 GLN 89 HG2 GLN 89 5.452 -7.156 -12.123 706 HG3 GLN 89 HG3 GLN 89 4.036 -7.787 -11.273 707 HE21 GLN 89 HE21 GLN 89 5.763 -5.365 -10.934 708 HE22 GLN 89 HE22 GLN 89 6.189 -5.380 -9.255 709 H GLN 90 H GLN 90 5.361 -11.504 -13.043 710 HA GLN 90 HA GLN 90 5.838 -14.048 -11.882 711 HB2 GLN 90 HB2 GLN 90 6.491 -14.735 -14.083 712 HB3 GLN 90 HB3 GLN 90 5.104 -13.671 -14.244 713 HG2 GLN 90 HG2 GLN 90 7.966 -12.835 -14.665 714 HG3 GLN 90 HG3 GLN 90 6.858 -13.299 -15.951 715 HE21 GLN 90 HE21 GLN 90 8.280 -10.820 -15.533 716 HE22 GLN 90 HE22 GLN 90 7.093 -9.568 -15.434 717 H THR 91 H THR 91 7.880 -15.148 -11.930 718 HA THR 91 HA THR 91 10.028 -13.432 -11.013 719 HB THR 91 HB THR 91 11.180 -15.678 -10.605 720 HG1 THR 91 HG1 THR 91 10.061 -17.473 -10.969 721 HG21 THR 91 HG21 THR 91 8.550 -15.130 -9.217 722 HG22 THR 91 HG22 THR 91 10.101 -14.397 -8.810 723 HG23 THR 91 HG23 THR 91 9.857 -16.129 -8.583 724 H GLY 92 H GLY 92 9.439 -15.804 -13.465 725 HA2 GLY 92 HA2 GLY 92 10.315 -15.991 -15.625 726 HA3 GLY 92 HA3 GLY 92 11.216 -14.504 -15.334 727 H GLY 93 H GLY 93 11.152 -17.611 -13.661 728 HA2 GLY 93 HA2 GLY 93 12.954 -19.198 -13.847 729 HA3 GLY 93 HA3 GLY 93 14.038 -17.849 -14.164 Start of MODEL 9 1 H MET 1 H MET 1 7.017 25.180 25.604 2 HA MET 1 HA MET 1 6.610 23.320 27.091 3 HB2 MET 1 HB2 MET 1 4.502 23.778 24.969 4 HB3 MET 1 HB3 MET 1 4.201 23.002 26.516 5 HG2 MET 1 HG2 MET 1 4.806 25.054 27.676 6 HG3 MET 1 HG3 MET 1 5.152 25.834 26.134 7 HE1 MET 1 HE1 MET 1 3.237 27.174 28.222 8 HE2 MET 1 HE2 MET 1 1.875 27.661 27.214 9 HE3 MET 1 HE3 MET 1 3.524 27.858 26.623 10 H ALA 2 H ALA 2 8.085 22.293 24.569 11 HA ALA 2 HA ALA 2 7.328 19.536 24.955 12 HB1 ALA 2 HB1 ALA 2 7.045 19.063 22.572 13 HB2 ALA 2 HB2 ALA 2 7.227 20.776 22.201 14 HB3 ALA 2 HB3 ALA 2 5.836 20.218 23.129 15 H ASP 3 H ASP 3 9.290 18.972 25.658 16 HA ASP 3 HA ASP 3 11.599 19.471 23.871 17 HB2 ASP 3 HB2 ASP 3 11.677 20.949 25.866 18 HB3 ASP 3 HB3 ASP 3 11.586 19.538 26.906 19 H GLU 4 H GLU 4 9.587 17.248 24.763 20 HA GLU 4 HA GLU 4 11.036 15.243 26.085 21 HB2 GLU 4 HB2 GLU 4 8.600 15.003 24.328 22 HB3 GLU 4 HB3 GLU 4 9.221 13.739 25.378 23 HG2 GLU 4 HG2 GLU 4 7.416 14.712 26.532 24 HG3 GLU 4 HG3 GLU 4 8.868 15.338 27.305 25 H LYS 5 H LYS 5 9.805 14.846 22.812 26 HA LYS 5 HA LYS 5 10.514 13.601 21.099 27 HB2 LYS 5 HB2 LYS 5 12.182 15.414 20.885 28 HB3 LYS 5 HB3 LYS 5 13.287 14.502 21.907 29 HG2 LYS 5 HG2 LYS 5 13.248 12.668 20.255 30 HG3 LYS 5 HG3 LYS 5 12.229 13.659 19.215 31 HD2 LYS 5 HD2 LYS 5 14.932 14.557 20.171 32 HD3 LYS 5 HD3 LYS 5 14.715 13.609 18.703 33 HE2 LYS 5 HE2 LYS 5 14.769 15.812 17.934 34 HE3 LYS 5 HE3 LYS 5 13.052 15.438 18.005 35 HZ1 LYS 5 HZ1 LYS 5 14.510 16.864 20.160 36 HZ2 LYS 5 HZ2 LYS 5 12.834 16.688 20.004 37 HZ3 LYS 5 HZ3 LYS 5 13.688 17.645 18.910 38 HA PRO 6 HA PRO 6 11.147 9.904 23.756 39 HB2 PRO 6 HB2 PRO 6 9.505 8.896 21.490 40 HB3 PRO 6 HB3 PRO 6 9.301 8.649 23.227 41 HG2 PRO 6 HG2 PRO 6 7.704 10.311 21.899 42 HG3 PRO 6 HG3 PRO 6 8.270 10.701 23.535 43 HD2 PRO 6 HD2 PRO 6 9.197 11.788 20.904 44 HD3 PRO 6 HD3 PRO 6 9.003 12.610 22.472 45 H LYS 7 H LYS 7 11.024 7.527 22.145 46 HA LYS 7 HA LYS 7 13.759 7.607 21.111 47 HB2 LYS 7 HB2 LYS 7 13.666 5.176 21.233 48 HB3 LYS 7 HB3 LYS 7 13.142 5.868 22.762 49 HG2 LYS 7 HG2 LYS 7 10.814 5.492 22.151 50 HG3 LYS 7 HG3 LYS 7 11.317 4.844 20.596 51 HD2 LYS 7 HD2 LYS 7 10.803 3.018 22.068 52 HD3 LYS 7 HD3 LYS 7 12.541 3.053 21.792 53 HE2 LYS 7 HE2 LYS 7 12.912 4.078 23.939 54 HE3 LYS 7 HE3 LYS 7 11.177 4.236 24.207 55 HZ1 LYS 7 HZ1 LYS 7 10.981 1.846 24.239 56 HZ2 LYS 7 HZ2 LYS 7 12.121 2.334 25.387 57 HZ3 LYS 7 HZ3 LYS 7 12.630 1.662 23.923 58 H GLU 8 H GLU 8 10.687 7.943 20.001 59 HA GLU 8 HA GLU 8 11.008 6.450 17.531 60 HB2 GLU 8 HB2 GLU 8 8.698 8.116 18.521 61 HB3 GLU 8 HB3 GLU 8 8.690 7.057 17.117 62 HG2 GLU 8 HG2 GLU 8 8.955 5.122 18.504 63 HG3 GLU 8 HG3 GLU 8 9.155 6.130 19.935 64 H GLY 9 H GLY 9 10.413 7.570 15.486 65 HA2 GLY 9 HA2 GLY 9 11.922 10.038 15.294 66 HA3 GLY 9 HA3 GLY 9 11.260 9.091 13.966 67 H VAL 10 H VAL 10 8.757 9.190 15.753 68 HA VAL 10 HA VAL 10 7.652 11.502 14.396 69 HB VAL 10 HB VAL 10 6.348 9.530 14.104 70 HG11 VAL 10 HG11 VAL 10 7.179 8.283 16.048 71 HG12 VAL 10 HG12 VAL 10 5.418 8.233 15.943 72 HG13 VAL 10 HG13 VAL 10 6.205 9.300 17.108 73 HG21 VAL 10 HG21 VAL 10 4.184 10.211 15.042 74 HG22 VAL 10 HG22 VAL 10 5.085 11.589 14.397 75 HG23 VAL 10 HG23 VAL 10 5.019 11.318 16.136 76 H LYS 11 H LYS 11 7.722 13.411 15.428 77 HA LYS 11 HA LYS 11 7.800 13.624 18.247 78 HB2 LYS 11 HB2 LYS 11 7.683 16.019 17.831 79 HB3 LYS 11 HB3 LYS 11 8.898 15.261 16.814 80 HG2 LYS 11 HG2 LYS 11 7.466 15.423 14.891 81 HG3 LYS 11 HG3 LYS 11 6.115 15.962 15.882 82 HD2 LYS 11 HD2 LYS 11 7.043 17.856 14.746 83 HD3 LYS 11 HD3 LYS 11 7.426 17.992 16.463 84 HE2 LYS 11 HE2 LYS 11 9.651 17.139 16.038 85 HE3 LYS 11 HE3 LYS 11 9.263 16.950 14.328 86 HZ1 LYS 11 HZ1 LYS 11 10.503 18.987 14.724 87 HZ2 LYS 11 HZ2 LYS 11 9.327 19.518 15.814 88 HZ3 LYS 11 HZ3 LYS 11 8.944 19.347 14.181 89 H THR 12 H THR 12 5.310 14.344 15.791 90 HA THR 12 HA THR 12 3.173 13.870 17.635 91 HB THR 12 HB THR 12 3.611 16.646 16.528 92 HG1 THR 12 HG1 THR 12 4.353 15.477 18.868 93 HG21 THR 12 HG21 THR 12 1.593 17.249 17.823 94 HG22 THR 12 HG22 THR 12 1.393 15.555 18.275 95 HG23 THR 12 HG23 THR 12 1.239 16.042 16.586 96 H GLU 13 H GLU 13 2.311 12.529 16.248 97 HA GLU 13 HA GLU 13 1.018 13.510 13.836 98 HB2 GLU 13 HB2 GLU 13 3.235 11.484 13.690 99 HB3 GLU 13 HB3 GLU 13 1.950 11.492 12.497 100 HG2 GLU 13 HG2 GLU 13 3.614 13.909 13.099 101 HG3 GLU 13 HG3 GLU 13 4.076 12.709 11.890 102 H ASN 14 H ASN 14 0.050 11.352 12.634 103 HA ASN 14 HA ASN 14 -1.198 9.505 12.674 104 HB2 ASN 14 HB2 ASN 14 -0.263 9.265 15.522 105 HB3 ASN 14 HB3 ASN 14 -1.371 8.131 14.760 106 HD21 ASN 14 HD21 ASN 14 -0.611 6.822 13.095 107 HD22 ASN 14 HD22 ASN 14 1.076 6.547 12.838 108 H ASN 15 H ASN 15 -1.882 12.235 13.614 109 HA ASN 15 HA ASN 15 -4.258 11.839 15.223 110 HB2 ASN 15 HB2 ASN 15 -3.241 14.353 13.875 111 HB3 ASN 15 HB3 ASN 15 -4.535 14.270 15.065 112 HD21 ASN 15 HD21 ASN 15 -1.891 15.618 15.004 113 HD22 ASN 15 HD22 ASN 15 -1.103 15.129 16.463 114 H ASP 16 H ASP 16 -4.088 13.885 12.326 115 HA ASP 16 HA ASP 16 -6.709 13.048 11.498 116 HB2 ASP 16 HB2 ASP 16 -4.755 14.720 9.931 117 HB3 ASP 16 HB3 ASP 16 -6.506 14.697 9.797 118 H HIS 17 H HIS 17 -6.988 11.127 10.367 119 HA HIS 17 HA HIS 17 -5.501 10.701 8.019 120 HB2 HIS 17 HB2 HIS 17 -4.362 8.695 8.654 121 HB3 HIS 17 HB3 HIS 17 -3.839 10.006 9.705 122 HD1 HIS 17 HD1 HIS 17 -5.147 9.985 12.168 123 HD2 HIS 17 HD2 HIS 17 -5.084 6.517 9.929 124 HE1 HIS 17 HE1 HIS 17 -5.669 8.149 13.788 125 HE2 HIS 17 HE2 HIS 17 -5.995 6.143 12.341 126 H ILE 18 H ILE 18 -6.021 8.368 7.210 127 HA ILE 18 HA ILE 18 -8.747 7.622 8.031 128 HB ILE 18 HB ILE 18 -9.311 7.080 5.703 129 HG12 ILE 18 HG12 ILE 18 -6.832 8.643 4.920 130 HG13 ILE 18 HG13 ILE 18 -6.919 6.884 4.908 131 HG21 ILE 18 HG21 ILE 18 -9.631 9.427 4.935 132 HG22 ILE 18 HG22 ILE 18 -8.591 9.948 6.262 133 HG23 ILE 18 HG23 ILE 18 -10.119 9.139 6.606 134 HD11 ILE 18 HD11 ILE 18 -7.226 7.830 2.679 135 HD12 ILE 18 HD12 ILE 18 -8.614 8.751 3.256 136 HD13 ILE 18 HD13 ILE 18 -8.679 6.989 3.218 137 H ASN 19 H ASN 19 -9.369 5.447 7.061 138 HA ASN 19 HA ASN 19 -7.181 3.584 7.585 139 HB2 ASN 19 HB2 ASN 19 -10.148 3.056 7.291 140 HB3 ASN 19 HB3 ASN 19 -8.938 1.899 7.832 141 HD21 ASN 19 HD21 ASN 19 -10.799 4.710 8.658 142 HD22 ASN 19 HD22 ASN 19 -10.484 4.674 10.349 143 H LEU 20 H LEU 20 -6.512 2.142 6.067 144 HA LEU 20 HA LEU 20 -7.907 2.108 3.461 145 HB2 LEU 20 HB2 LEU 20 -5.081 2.738 4.037 146 HB3 LEU 20 HB3 LEU 20 -5.327 1.571 2.755 147 HG LEU 20 HG LEU 20 -5.122 3.706 1.739 148 HD11 LEU 20 HD11 LEU 20 -7.195 3.945 0.561 149 HD12 LEU 20 HD12 LEU 20 -8.064 3.077 1.820 150 HD13 LEU 20 HD13 LEU 20 -6.872 2.233 0.830 151 HD21 LEU 20 HD21 LEU 20 -7.274 4.677 3.606 152 HD22 LEU 20 HD22 LEU 20 -6.532 5.608 2.306 153 HD23 LEU 20 HD23 LEU 20 -5.562 5.091 3.684 154 H LYS 21 H LYS 21 -7.421 0.184 2.196 155 HA LYS 21 HA LYS 21 -6.622 -2.108 3.824 156 HB2 LYS 21 HB2 LYS 21 -9.102 -1.894 2.139 157 HB3 LYS 21 HB3 LYS 21 -8.520 -3.384 2.869 158 HG2 LYS 21 HG2 LYS 21 -8.901 -2.606 5.023 159 HG3 LYS 21 HG3 LYS 21 -9.146 -0.947 4.470 160 HD2 LYS 21 HD2 LYS 21 -11.288 -1.857 4.995 161 HD3 LYS 21 HD3 LYS 21 -11.174 -1.752 3.238 162 HE2 LYS 21 HE2 LYS 21 -10.720 -4.108 3.081 163 HE3 LYS 21 HE3 LYS 21 -10.636 -4.252 4.834 164 HZ1 LYS 21 HZ1 LYS 21 -12.999 -3.517 4.887 165 HZ2 LYS 21 HZ2 LYS 21 -12.764 -5.007 4.130 166 HZ3 LYS 21 HZ3 LYS 21 -13.032 -3.624 3.201 167 H VAL 22 H VAL 22 -5.703 -3.751 2.692 168 HA VAL 22 HA VAL 22 -5.318 -3.278 -0.186 169 HB VAL 22 HB VAL 22 -3.193 -4.221 1.759 170 HG11 VAL 22 HG11 VAL 22 -3.104 -5.509 -0.296 171 HG12 VAL 22 HG12 VAL 22 -1.738 -4.399 -0.181 172 HG13 VAL 22 HG13 VAL 22 -3.097 -4.018 -1.237 173 HG21 VAL 22 HG21 VAL 22 -3.220 -1.850 -0.104 174 HG22 VAL 22 HG22 VAL 22 -1.986 -2.248 1.095 175 HG23 VAL 22 HG23 VAL 22 -3.600 -1.764 1.612 176 H ALA 23 H ALA 23 -6.155 -4.818 -1.287 177 HA ALA 23 HA ALA 23 -6.641 -7.421 -0.060 178 HB1 ALA 23 HB1 ALA 23 -7.596 -6.354 -2.715 179 HB2 ALA 23 HB2 ALA 23 -8.497 -6.255 -1.201 180 HB3 ALA 23 HB3 ALA 23 -8.132 -7.829 -1.905 181 H GLY 24 H GLY 24 -5.437 -9.066 -0.473 182 HA2 GLY 24 HA2 GLY 24 -3.265 -8.756 -2.371 183 HA3 GLY 24 HA3 GLY 24 -3.426 -10.041 -1.175 184 H GLN 25 H GLN 25 -2.807 -10.493 -3.899 185 HA GLN 25 HA GLN 25 -5.050 -11.218 -5.410 186 HB2 GLN 25 HB2 GLN 25 -3.414 -12.609 -6.727 187 HB3 GLN 25 HB3 GLN 25 -2.986 -10.916 -6.547 188 HG2 GLN 25 HG2 GLN 25 -0.990 -12.056 -6.224 189 HG3 GLN 25 HG3 GLN 25 -1.530 -11.671 -4.592 190 HE21 GLN 25 HE21 GLN 25 -0.485 -13.304 -3.564 191 HE22 GLN 25 HE22 GLN 25 -0.847 -14.974 -3.801 192 H ASP 26 H ASP 26 -3.820 -12.647 -2.630 193 HA ASP 26 HA ASP 26 -4.645 -15.344 -3.209 194 HB2 ASP 26 HB2 ASP 26 -2.804 -14.811 -1.600 195 HB3 ASP 26 HB3 ASP 26 -3.999 -14.093 -0.527 196 H GLY 27 H GLY 27 -6.209 -12.453 -2.308 197 HA2 GLY 27 HA2 GLY 27 -8.577 -12.339 -2.250 198 HA3 GLY 27 HA3 GLY 27 -8.616 -13.985 -1.640 199 H SER 28 H SER 28 -6.265 -12.355 -0.034 200 HA SER 28 HA SER 28 -8.017 -11.952 2.273 201 HB2 SER 28 HB2 SER 28 -5.948 -13.399 2.452 202 HB3 SER 28 HB3 SER 28 -4.995 -11.932 2.249 203 HG SER 28 HG SER 28 -5.221 -12.302 4.426 204 H VAL 29 H VAL 29 -7.610 -10.065 3.620 205 HA VAL 29 HA VAL 29 -6.459 -7.852 2.139 206 HB VAL 29 HB VAL 29 -8.897 -7.930 1.609 207 HG11 VAL 29 HG11 VAL 29 -10.505 -7.163 3.322 208 HG12 VAL 29 HG12 VAL 29 -9.216 -7.212 4.523 209 HG13 VAL 29 HG13 VAL 29 -9.758 -8.704 3.753 210 HG21 VAL 29 HG21 VAL 29 -7.902 -5.497 3.089 211 HG22 VAL 29 HG22 VAL 29 -9.304 -5.517 2.017 212 HG23 VAL 29 HG23 VAL 29 -7.695 -5.850 1.373 213 H VAL 30 H VAL 30 -5.467 -6.370 3.385 214 HA VAL 30 HA VAL 30 -5.599 -6.744 6.287 215 HB VAL 30 HB VAL 30 -3.351 -6.882 5.309 216 HG11 VAL 30 HG11 VAL 30 -2.294 -4.948 4.269 217 HG12 VAL 30 HG12 VAL 30 -3.808 -4.051 4.393 218 HG13 VAL 30 HG13 VAL 30 -3.711 -5.472 3.355 219 HG21 VAL 30 HG21 VAL 30 -3.284 -6.098 7.516 220 HG22 VAL 30 HG22 VAL 30 -3.967 -4.538 7.068 221 HG23 VAL 30 HG23 VAL 30 -2.311 -4.927 6.618 222 H GLN 31 H GLN 31 -6.146 -5.067 7.666 223 HA GLN 31 HA GLN 31 -7.067 -2.597 6.388 224 HB2 GLN 31 HB2 GLN 31 -7.931 -3.657 9.051 225 HB3 GLN 31 HB3 GLN 31 -8.707 -2.421 8.072 226 HG2 GLN 31 HG2 GLN 31 -9.168 -4.147 6.351 227 HG3 GLN 31 HG3 GLN 31 -8.552 -5.359 7.468 228 HE21 GLN 31 HE21 GLN 31 -11.059 -3.093 6.810 229 HE22 GLN 31 HE22 GLN 31 -12.195 -3.754 7.920 230 H PHE 32 H PHE 32 -6.044 -0.849 6.923 231 HA PHE 32 HA PHE 32 -4.511 -0.662 9.402 232 HB2 PHE 32 HB2 PHE 32 -2.472 0.069 8.166 233 HB3 PHE 32 HB3 PHE 32 -2.863 -1.638 7.959 234 HD1 PHE 32 HD1 PHE 32 -4.186 -2.270 5.845 235 HD2 PHE 32 HD2 PHE 32 -2.124 1.422 6.303 236 HE1 PHE 32 HE1 PHE 32 -4.206 -1.969 3.420 237 HE2 PHE 32 HE2 PHE 32 -2.137 1.728 3.889 238 HZ PHE 32 HZ PHE 32 -3.171 0.039 2.431 239 H LYS 33 H LYS 33 -3.439 1.501 9.571 240 HA LYS 33 HA LYS 33 -5.288 3.525 8.500 241 HB2 LYS 33 HB2 LYS 33 -3.823 3.702 11.129 242 HB3 LYS 33 HB3 LYS 33 -5.134 4.729 10.559 243 HG2 LYS 33 HG2 LYS 33 -6.575 2.662 10.521 244 HG3 LYS 33 HG3 LYS 33 -5.271 1.853 11.375 245 HD2 LYS 33 HD2 LYS 33 -6.663 4.334 12.362 246 HD3 LYS 33 HD3 LYS 33 -7.062 2.695 12.870 247 HE2 LYS 33 HE2 LYS 33 -4.649 2.472 13.601 248 HE3 LYS 33 HE3 LYS 33 -4.504 4.211 13.321 249 HZ1 LYS 33 HZ1 LYS 33 -5.005 3.598 15.659 250 HZ2 LYS 33 HZ2 LYS 33 -6.502 2.996 15.149 251 HZ3 LYS 33 HZ3 LYS 33 -6.151 4.636 14.973 252 H ILE 34 H ILE 34 -4.490 5.280 7.506 253 HA ILE 34 HA ILE 34 -1.654 5.936 7.731 254 HB ILE 34 HB ILE 34 -1.718 4.374 5.848 255 HG12 ILE 34 HG12 ILE 34 -1.448 7.222 4.856 256 HG13 ILE 34 HG13 ILE 34 -0.197 6.326 5.709 257 HG21 ILE 34 HG21 ILE 34 -3.776 6.221 4.651 258 HG22 ILE 34 HG22 ILE 34 -4.060 4.586 5.249 259 HG23 ILE 34 HG23 ILE 34 -3.036 4.843 3.836 260 HD11 ILE 34 HD11 ILE 34 -0.076 4.737 3.879 261 HD12 ILE 34 HD12 ILE 34 0.195 6.383 3.307 262 HD13 ILE 34 HD13 ILE 34 -1.360 5.597 3.030 263 H LYS 35 H LYS 35 -1.186 8.115 7.079 264 HA LYS 35 HA LYS 35 -3.464 9.865 7.357 265 HB2 LYS 35 HB2 LYS 35 -0.584 10.573 6.873 266 HB3 LYS 35 HB3 LYS 35 -1.866 11.674 7.341 267 HG2 LYS 35 HG2 LYS 35 -1.974 9.794 9.314 268 HG3 LYS 35 HG3 LYS 35 -0.246 9.884 8.960 269 HD2 LYS 35 HD2 LYS 35 -2.051 12.190 9.716 270 HD3 LYS 35 HD3 LYS 35 -0.701 11.539 10.649 271 HE2 LYS 35 HE2 LYS 35 0.883 12.317 9.011 272 HE3 LYS 35 HE3 LYS 35 -0.406 12.788 7.909 273 HZ1 LYS 35 HZ1 LYS 35 -1.111 14.420 9.652 274 HZ2 LYS 35 HZ2 LYS 35 0.395 14.724 8.961 275 HZ3 LYS 35 HZ3 LYS 35 0.312 14.050 10.499 276 H ARG 36 H ARG 36 -3.730 11.748 5.892 277 HA ARG 36 HA ARG 36 -4.091 10.832 3.246 278 HB2 ARG 36 HB2 ARG 36 -4.202 13.706 4.144 279 HB3 ARG 36 HB3 ARG 36 -5.089 12.946 2.833 280 HG2 ARG 36 HG2 ARG 36 -5.538 12.610 5.786 281 HG3 ARG 36 HG3 ARG 36 -6.612 13.357 4.603 282 HD2 ARG 36 HD2 ARG 36 -5.821 10.455 4.746 283 HD3 ARG 36 HD3 ARG 36 -7.387 11.124 5.188 284 HE ARG 36 HE ARG 36 -6.310 10.811 2.485 285 HH11 ARG 36 HH11 ARG 36 -8.997 11.764 4.543 286 HH12 ARG 36 HH12 ARG 36 -10.163 11.677 3.266 287 HH21 ARG 36 HH21 ARG 36 -7.884 10.706 0.792 288 HH22 ARG 36 HH22 ARG 36 -9.533 11.065 1.145 289 H HIS 37 H HIS 37 -1.783 12.959 4.842 290 HA HIS 37 HA HIS 37 -0.484 13.600 2.318 291 HB2 HIS 37 HB2 HIS 37 -0.972 15.274 4.208 292 HB3 HIS 37 HB3 HIS 37 0.352 14.500 5.068 293 HD1 HIS 37 HD1 HIS 37 2.666 15.286 4.518 294 HD2 HIS 37 HD2 HIS 37 -0.153 16.559 1.749 295 HE1 HIS 37 HE1 HIS 37 3.867 16.917 3.035 296 HE2 HIS 37 HE2 HIS 37 2.069 17.843 1.542 297 H THR 38 H THR 38 -0.423 11.034 4.195 298 HA THR 38 HA THR 38 2.445 10.733 4.427 299 HB THR 38 HB THR 38 0.112 9.070 5.399 300 HG1 THR 38 HG1 THR 38 2.282 10.323 6.750 301 HG21 THR 38 HG21 THR 38 1.845 7.525 4.602 302 HG22 THR 38 HG22 THR 38 1.750 7.512 6.367 303 HG23 THR 38 HG23 THR 38 3.057 8.381 5.555 304 HA PRO 39 HA PRO 39 2.799 8.816 0.452 305 HB2 PRO 39 HB2 PRO 39 5.182 7.541 0.891 306 HB3 PRO 39 HB3 PRO 39 5.043 9.261 0.503 307 HG2 PRO 39 HG2 PRO 39 5.374 7.930 3.162 308 HG3 PRO 39 HG3 PRO 39 6.168 9.385 2.536 309 HD2 PRO 39 HD2 PRO 39 4.123 9.537 4.252 310 HD3 PRO 39 HD3 PRO 39 4.310 10.718 2.942 311 H LEU 40 H LEU 40 2.470 6.864 -0.537 312 HA LEU 40 HA LEU 40 1.272 4.778 0.888 313 HB2 LEU 40 HB2 LEU 40 2.385 4.884 -1.904 314 HB3 LEU 40 HB3 LEU 40 1.416 3.562 -1.291 315 HG LEU 40 HG LEU 40 0.463 6.407 -1.457 316 HD11 LEU 40 HD11 LEU 40 -0.813 5.691 -3.420 317 HD12 LEU 40 HD12 LEU 40 -0.007 4.124 -3.354 318 HD13 LEU 40 HD13 LEU 40 0.926 5.583 -3.686 319 HD21 LEU 40 HD21 LEU 40 -1.740 5.453 -1.154 320 HD22 LEU 40 HD22 LEU 40 -0.688 5.017 0.193 321 HD23 LEU 40 HD23 LEU 40 -1.040 3.838 -1.076 322 H SER 41 H SER 41 4.566 5.465 0.471 323 HA SER 41 HA SER 41 5.769 2.994 0.220 324 HB2 SER 41 HB2 SER 41 6.943 5.226 0.286 325 HB3 SER 41 HB3 SER 41 6.766 5.199 2.039 326 HG SER 41 HG SER 41 8.311 3.527 0.367 327 HH31 ALY 42 HH31 ALY 42 -0.931 1.146 9.294 328 HH32 ALY 42 HH32 ALY 42 0.302 0.383 10.321 329 HH33 ALY 42 HH33 ALY 42 0.385 0.249 8.551 330 HZ ALY 42 HZ ALY 42 -0.018 2.836 7.738 331 HE3 ALY 42 HE3 ALY 42 1.955 4.606 8.190 332 HE2 ALY 42 HE2 ALY 42 2.838 3.126 7.818 333 HD3 ALY 42 HD3 ALY 42 1.625 2.972 5.671 334 HD2 ALY 42 HD2 ALY 42 0.798 4.480 6.052 335 HG3 ALY 42 HG3 ALY 42 2.669 4.863 4.520 336 HG2 ALY 42 HG2 ALY 42 2.955 5.656 6.065 337 HB3 ALY 42 HB3 ALY 42 4.995 4.694 5.671 338 HB2 ALY 42 HB2 ALY 42 4.225 3.455 6.631 339 HCA ALY 42 HCA ALY 42 5.357 2.357 4.839 340 H ALY 42 H ALY 42 4.546 4.536 3.202 341 H LEU 43 H LEU 43 2.449 3.205 3.100 342 HA LEU 43 HA LEU 43 0.694 1.282 4.147 343 HB2 LEU 43 HB2 LEU 43 -0.256 3.005 2.833 344 HB3 LEU 43 HB3 LEU 43 0.853 2.730 1.511 345 HG LEU 43 HG LEU 43 -1.158 0.610 2.190 346 HD11 LEU 43 HD11 LEU 43 -2.498 2.622 2.094 347 HD12 LEU 43 HD12 LEU 43 -2.721 1.692 0.608 348 HD13 LEU 43 HD13 LEU 43 -1.690 3.117 0.609 349 HD21 LEU 43 HD21 LEU 43 -1.048 0.256 -0.253 350 HD22 LEU 43 HD22 LEU 43 0.535 0.114 0.515 351 HD23 LEU 43 HD23 LEU 43 0.109 1.590 -0.374 352 H MET 44 H MET 44 2.811 1.148 1.311 353 HA MET 44 HA MET 44 2.248 -1.478 0.535 354 HB2 MET 44 HB2 MET 44 4.547 0.383 0.108 355 HB3 MET 44 HB3 MET 44 4.685 -1.295 -0.397 356 HG2 MET 44 HG2 MET 44 3.066 -1.097 -1.995 357 HG3 MET 44 HG3 MET 44 2.325 0.322 -1.275 358 HE1 MET 44 HE1 MET 44 2.897 0.031 -4.373 359 HE2 MET 44 HE2 MET 44 3.552 1.629 -4.733 360 HE3 MET 44 HE3 MET 44 2.186 1.463 -3.630 361 H LYS 45 H LYS 45 4.775 -0.185 2.637 362 HA LYS 45 HA LYS 45 5.970 -2.659 3.199 363 HB2 LYS 45 HB2 LYS 45 7.162 -0.606 3.622 364 HB3 LYS 45 HB3 LYS 45 5.933 -0.069 4.756 365 HG2 LYS 45 HG2 LYS 45 7.956 -0.825 5.881 366 HG3 LYS 45 HG3 LYS 45 6.566 -1.821 6.314 367 HD2 LYS 45 HD2 LYS 45 8.425 -3.278 5.977 368 HD3 LYS 45 HD3 LYS 45 7.354 -3.477 4.593 369 HE2 LYS 45 HE2 LYS 45 8.786 -2.180 3.201 370 HE3 LYS 45 HE3 LYS 45 9.749 -1.650 4.581 371 HZ1 LYS 45 HZ1 LYS 45 10.430 -3.972 4.893 372 HZ2 LYS 45 HZ2 LYS 45 10.905 -3.363 3.396 373 HZ3 LYS 45 HZ3 LYS 45 9.582 -4.412 3.501 374 H ALA 46 H ALA 46 3.348 -0.889 4.797 375 HA ALA 46 HA ALA 46 3.109 -2.464 7.096 376 HB1 ALA 46 HB1 ALA 46 0.889 -1.084 5.590 377 HB2 ALA 46 HB2 ALA 46 1.943 -0.328 6.786 378 HB3 ALA 46 HB3 ALA 46 0.840 -1.616 7.270 379 H TYR 47 H TYR 47 1.430 -2.793 3.964 380 HA TYR 47 HA TYR 47 0.026 -5.133 4.631 381 HB2 TYR 47 HB2 TYR 47 -0.756 -4.033 2.709 382 HB3 TYR 47 HB3 TYR 47 0.853 -3.924 2.000 383 HD1 TYR 47 HD1 TYR 47 -1.973 -6.212 2.688 384 HD2 TYR 47 HD2 TYR 47 1.734 -5.716 0.673 385 HE1 TYR 47 HE1 TYR 47 -2.408 -8.261 1.404 386 HE2 TYR 47 HE2 TYR 47 1.306 -7.763 -0.622 387 HH TYR 47 HH TYR 47 -0.010 -9.814 -0.445 388 H CYS 48 H CYS 48 3.246 -4.613 3.292 389 HA CYS 48 HA CYS 48 3.703 -7.323 2.610 390 HB2 CYS 48 HB2 CYS 48 5.633 -5.059 3.104 391 HB3 CYS 48 HB3 CYS 48 6.078 -6.627 2.431 392 HG CYS 48 HG CYS 48 4.083 -4.256 1.017 393 H GLU 49 H GLU 49 4.260 -5.433 5.501 394 HA GLU 49 HA GLU 49 5.833 -7.390 6.837 395 HB2 GLU 49 HB2 GLU 49 4.145 -5.160 7.966 396 HB3 GLU 49 HB3 GLU 49 5.360 -6.072 8.853 397 HG2 GLU 49 HG2 GLU 49 5.955 -4.480 6.392 398 HG3 GLU 49 HG3 GLU 49 6.064 -3.814 8.010 399 H ARG 50 H ARG 50 2.404 -6.749 6.587 400 HA ARG 50 HA ARG 50 1.514 -8.487 8.635 401 HB2 ARG 50 HB2 ARG 50 0.152 -7.566 6.102 402 HB3 ARG 50 HB3 ARG 50 -0.653 -8.440 7.395 403 HG2 ARG 50 HG2 ARG 50 0.760 -5.854 7.898 404 HG3 ARG 50 HG3 ARG 50 -0.896 -5.906 7.310 405 HD2 ARG 50 HD2 ARG 50 -1.522 -7.273 9.257 406 HD3 ARG 50 HD3 ARG 50 0.136 -7.155 9.846 407 HE ARG 50 HE ARG 50 -0.300 -4.666 9.862 408 HH11 ARG 50 HH11 ARG 50 -2.872 -7.017 10.364 409 HH12 ARG 50 HH12 ARG 50 -3.831 -5.953 11.327 410 HH21 ARG 50 HH21 ARG 50 -1.577 -3.261 11.164 411 HH22 ARG 50 HH22 ARG 50 -3.093 -3.818 11.782 412 H GLN 51 H GLN 51 1.878 -8.945 5.140 413 HA GLN 51 HA GLN 51 1.197 -11.742 5.332 414 HB2 GLN 51 HB2 GLN 51 1.634 -9.794 3.171 415 HB3 GLN 51 HB3 GLN 51 2.155 -11.430 2.800 416 HG2 GLN 51 HG2 GLN 51 -0.102 -11.086 2.031 417 HG3 GLN 51 HG3 GLN 51 -0.081 -12.265 3.336 418 HE21 GLN 51 HE21 GLN 51 0.134 -8.768 3.770 419 HE22 GLN 51 HE22 GLN 51 -1.394 -8.608 4.555 420 H GLY 52 H GLY 52 4.080 -9.870 5.456 421 HA2 GLY 52 HA2 GLY 52 6.198 -10.585 6.042 422 HA3 GLY 52 HA3 GLY 52 5.650 -12.249 5.908 423 H LEU 53 H LEU 53 4.898 -10.349 3.216 424 HA LEU 53 HA LEU 53 6.948 -11.711 1.682 425 HB2 LEU 53 HB2 LEU 53 5.586 -10.948 -0.306 426 HB3 LEU 53 HB3 LEU 53 4.841 -12.120 0.756 427 HG LEU 53 HG LEU 53 3.589 -10.180 1.813 428 HD11 LEU 53 HD11 LEU 53 3.339 -8.171 0.463 429 HD12 LEU 53 HD12 LEU 53 4.577 -8.763 -0.648 430 HD13 LEU 53 HD13 LEU 53 5.000 -8.378 1.019 431 HD21 LEU 53 HD21 LEU 53 2.542 -11.756 0.281 432 HD22 LEU 53 HD22 LEU 53 3.094 -10.798 -1.094 433 HD23 LEU 53 HD23 LEU 53 1.916 -10.125 0.034 434 H SER 54 H SER 54 7.446 -10.305 -0.455 435 HA SER 54 HA SER 54 8.878 -7.975 0.604 436 HB2 SER 54 HB2 SER 54 9.346 -9.701 -1.824 437 HB3 SER 54 HB3 SER 54 10.314 -8.288 -1.430 438 HG SER 54 HG SER 54 10.098 -9.933 0.703 439 H MET 55 H MET 55 8.349 -5.969 -0.077 440 HA MET 55 HA MET 55 6.076 -5.484 -1.671 441 HB2 MET 55 HB2 MET 55 6.866 -3.068 -1.671 442 HB3 MET 55 HB3 MET 55 6.606 -3.803 -0.100 443 HG2 MET 55 HG2 MET 55 8.855 -3.854 0.404 444 HG3 MET 55 HG3 MET 55 9.347 -3.796 -1.292 445 HE1 MET 55 HE1 MET 55 6.591 -1.442 0.242 446 HE2 MET 55 HE2 MET 55 7.578 -0.149 0.925 447 HE3 MET 55 HE3 MET 55 7.642 -1.770 1.616 448 H ARG 56 H ARG 56 9.372 -5.926 -2.553 449 HA ARG 56 HA ARG 56 9.152 -4.639 -5.109 450 HB2 ARG 56 HB2 ARG 56 11.381 -5.514 -5.530 451 HB3 ARG 56 HB3 ARG 56 11.289 -4.791 -3.934 452 HG2 ARG 56 HG2 ARG 56 11.066 -7.022 -2.949 453 HG3 ARG 56 HG3 ARG 56 11.251 -7.725 -4.557 454 HD2 ARG 56 HD2 ARG 56 13.360 -7.757 -3.376 455 HD3 ARG 56 HD3 ARG 56 13.443 -6.662 -4.755 456 HE ARG 56 HE ARG 56 13.043 -4.839 -3.057 457 HH11 ARG 56 HH11 ARG 56 14.617 -7.850 -2.170 458 HH12 ARG 56 HH12 ARG 56 15.510 -7.148 -0.871 459 HH21 ARG 56 HH21 ARG 56 14.235 -3.910 -1.339 460 HH22 ARG 56 HH22 ARG 56 15.301 -4.897 -0.402 461 H GLN 57 H GLN 57 8.135 -7.587 -3.870 462 HA GLN 57 HA GLN 57 8.264 -8.956 -6.462 463 HB2 GLN 57 HB2 GLN 57 7.413 -9.986 -3.753 464 HB3 GLN 57 HB3 GLN 57 7.602 -10.951 -5.212 465 HG2 GLN 57 HG2 GLN 57 9.827 -9.403 -3.924 466 HG3 GLN 57 HG3 GLN 57 9.492 -11.105 -3.600 467 HE21 GLN 57 HE21 GLN 57 10.599 -8.786 -5.931 468 HE22 GLN 57 HE22 GLN 57 11.326 -9.913 -7.009 469 H ILE 58 H ILE 58 6.262 -6.888 -4.974 470 HA ILE 58 HA ILE 58 3.904 -8.029 -6.292 471 HB ILE 58 HB ILE 58 2.489 -7.119 -4.441 472 HG12 ILE 58 HG12 ILE 58 5.072 -7.012 -2.898 473 HG13 ILE 58 HG13 ILE 58 4.310 -5.590 -3.595 474 HG21 ILE 58 HG21 ILE 58 4.487 -9.214 -3.615 475 HG22 ILE 58 HG22 ILE 58 3.070 -9.497 -4.619 476 HG23 ILE 58 HG23 ILE 58 2.874 -8.986 -2.941 477 HD11 ILE 58 HD11 ILE 58 2.336 -5.975 -2.224 478 HD12 ILE 58 HD12 ILE 58 3.790 -5.828 -1.233 479 HD13 ILE 58 HD13 ILE 58 3.093 -7.416 -1.551 480 H ARG 59 H ARG 59 2.145 -6.372 -6.460 481 HA ARG 59 HA ARG 59 3.156 -3.654 -6.793 482 HB2 ARG 59 HB2 ARG 59 1.868 -5.293 -8.963 483 HB3 ARG 59 HB3 ARG 59 1.912 -3.537 -9.012 484 HG2 ARG 59 HG2 ARG 59 4.328 -5.317 -8.839 485 HG3 ARG 59 HG3 ARG 59 3.704 -4.600 -10.327 486 HD2 ARG 59 HD2 ARG 59 4.280 -2.836 -7.996 487 HD3 ARG 59 HD3 ARG 59 5.624 -3.425 -8.947 488 HE ARG 59 HE ARG 59 3.798 -2.387 -10.740 489 HH11 ARG 59 HH11 ARG 59 5.654 -1.209 -8.001 490 HH12 ARG 59 HH12 ARG 59 5.852 0.386 -8.650 491 HH21 ARG 59 HH21 ARG 59 4.046 -0.254 -11.604 492 HH22 ARG 59 HH22 ARG 59 4.935 0.928 -10.713 493 H PHE 60 H PHE 60 1.644 -2.033 -6.692 494 HA PHE 60 HA PHE 60 -0.963 -2.892 -5.602 495 HB2 PHE 60 HB2 PHE 60 0.655 -0.396 -4.927 496 HB3 PHE 60 HB3 PHE 60 -0.987 -0.690 -4.396 497 HD1 PHE 60 HD1 PHE 60 2.250 -2.555 -4.433 498 HD2 PHE 60 HD2 PHE 60 -1.198 -1.374 -2.249 499 HE1 PHE 60 HE1 PHE 60 3.124 -3.703 -2.444 500 HE2 PHE 60 HE2 PHE 60 -0.327 -2.520 -0.251 501 HZ PHE 60 HZ PHE 60 1.835 -3.693 -0.350 502 H ARG 61 H ARG 61 -2.781 -2.220 -6.600 503 HA ARG 61 HA ARG 61 -2.582 0.041 -8.478 504 HB2 ARG 61 HB2 ARG 61 -3.751 -1.090 -10.189 505 HB3 ARG 61 HB3 ARG 61 -2.582 -2.266 -9.608 506 HG2 ARG 61 HG2 ARG 61 -4.348 -3.649 -9.572 507 HG3 ARG 61 HG3 ARG 61 -4.704 -2.821 -8.055 508 HD2 ARG 61 HD2 ARG 61 -6.057 -1.175 -9.381 509 HD3 ARG 61 HD3 ARG 61 -5.840 -2.230 -10.773 510 HE ARG 61 HE ARG 61 -7.197 -3.079 -8.291 511 HH11 ARG 61 HH11 ARG 61 -6.985 -3.055 -11.803 512 HH12 ARG 61 HH12 ARG 61 -8.421 -3.990 -12.008 513 HH21 ARG 61 HH21 ARG 61 -9.080 -4.291 -8.565 514 HH22 ARG 61 HH22 ARG 61 -9.631 -4.700 -10.156 515 H PHE 62 H PHE 62 -4.378 1.345 -8.647 516 HA PHE 62 HA PHE 62 -6.775 0.699 -7.128 517 HB2 PHE 62 HB2 PHE 62 -5.337 1.864 -5.512 518 HB3 PHE 62 HB3 PHE 62 -5.101 3.180 -6.655 519 HD1 PHE 62 HD1 PHE 62 -7.559 1.521 -4.449 520 HD2 PHE 62 HD2 PHE 62 -6.703 4.904 -6.895 521 HE1 PHE 62 HE1 PHE 62 -9.500 2.689 -3.515 522 HE2 PHE 62 HE2 PHE 62 -8.651 6.075 -5.957 523 HZ PHE 62 HZ PHE 62 -10.051 4.966 -4.264 524 H ASP 63 H ASP 63 -8.577 1.526 -8.119 525 HA ASP 63 HA ASP 63 -9.899 2.505 -9.712 526 HB2 ASP 63 HB2 ASP 63 -8.655 4.561 -8.673 527 HB3 ASP 63 HB3 ASP 63 -7.822 4.597 -10.203 528 H GLY 64 H GLY 64 -7.905 0.515 -10.527 529 HA2 GLY 64 HA2 GLY 64 -7.264 -0.369 -12.528 530 HA3 GLY 64 HA3 GLY 64 -8.004 1.030 -13.295 531 H GLN 65 H GLN 65 -5.887 2.313 -11.108 532 HA GLN 65 HA GLN 65 -3.742 2.319 -13.120 533 HB2 GLN 65 HB2 GLN 65 -3.213 4.658 -12.343 534 HB3 GLN 65 HB3 GLN 65 -4.722 4.491 -13.225 535 HG2 GLN 65 HG2 GLN 65 -5.922 4.467 -11.067 536 HG3 GLN 65 HG3 GLN 65 -4.399 4.778 -10.243 537 HE21 GLN 65 HE21 GLN 65 -6.813 6.034 -12.357 538 HE22 GLN 65 HE22 GLN 65 -6.382 7.701 -12.232 539 HA PRO 66 HA PRO 66 -1.190 0.854 -9.853 540 HB2 PRO 66 HB2 PRO 66 1.229 1.319 -10.952 541 HB3 PRO 66 HB3 PRO 66 0.153 0.057 -11.558 542 HG2 PRO 66 HG2 PRO 66 0.602 2.821 -12.626 543 HG3 PRO 66 HG3 PRO 66 0.493 1.289 -13.512 544 HD2 PRO 66 HD2 PRO 66 -1.595 3.026 -13.307 545 HD3 PRO 66 HD3 PRO 66 -1.808 1.267 -13.437 546 H ILE 67 H ILE 67 -0.066 1.668 -8.098 547 HA ILE 67 HA ILE 67 0.547 4.542 -8.182 548 HB ILE 67 HB ILE 67 -0.003 4.652 -5.728 549 HG12 ILE 67 HG12 ILE 67 -0.175 2.055 -5.563 550 HG13 ILE 67 HG13 ILE 67 -1.293 3.043 -4.628 551 HG21 ILE 67 HG21 ILE 67 -2.422 4.993 -6.101 552 HG22 ILE 67 HG22 ILE 67 -2.239 4.257 -7.696 553 HG23 ILE 67 HG23 ILE 67 -1.387 5.754 -7.307 554 HD11 ILE 67 HD11 ILE 67 -2.403 1.142 -5.653 555 HD12 ILE 67 HD12 ILE 67 -1.896 1.695 -7.249 556 HD13 ILE 67 HD13 ILE 67 -3.023 2.661 -6.299 557 H ASN 68 H ASN 68 2.341 5.190 -7.361 558 HA ASN 68 HA ASN 68 4.252 3.161 -6.535 559 HB2 ASN 68 HB2 ASN 68 5.732 5.391 -6.637 560 HB3 ASN 68 HB3 ASN 68 5.359 4.432 -8.065 561 HD21 ASN 68 HD21 ASN 68 4.582 7.298 -6.276 562 HD22 ASN 68 HD22 ASN 68 3.731 8.112 -7.536 563 H GLU 69 H GLU 69 5.595 3.459 -4.706 564 HA GLU 69 HA GLU 69 4.194 4.068 -2.356 565 HB2 GLU 69 HB2 GLU 69 6.539 3.925 -1.318 566 HB3 GLU 69 HB3 GLU 69 5.889 2.494 -2.109 567 HG2 GLU 69 HG2 GLU 69 7.237 2.793 -3.981 568 HG3 GLU 69 HG3 GLU 69 7.691 4.434 -3.519 569 H THR 70 H THR 70 5.894 6.122 -4.449 570 HA THR 70 HA THR 70 6.631 8.083 -2.495 571 HB THR 70 HB THR 70 7.204 9.464 -4.495 572 HG1 THR 70 HG1 THR 70 6.803 8.668 -6.501 573 HG21 THR 70 HG21 THR 70 9.030 8.041 -5.257 574 HG22 THR 70 HG22 THR 70 8.214 6.624 -4.597 575 HG23 THR 70 HG23 THR 70 8.822 7.877 -3.510 576 H ASP 71 H ASP 71 3.747 7.282 -4.149 577 HA ASP 71 HA ASP 71 2.722 9.992 -4.114 578 HB2 ASP 71 HB2 ASP 71 2.043 7.516 -5.465 579 HB3 ASP 71 HB3 ASP 71 0.611 8.286 -4.795 580 H THR 72 H THR 72 0.540 10.372 -3.172 581 HA THR 72 HA THR 72 0.310 9.018 -0.561 582 HB THR 72 HB THR 72 -0.723 11.219 0.200 583 HG1 THR 72 HG1 THR 72 0.614 12.253 -2.076 584 HG21 THR 72 HG21 THR 72 1.471 12.343 0.464 585 HG22 THR 72 HG22 THR 72 2.169 11.184 -0.670 586 HG23 THR 72 HG23 THR 72 1.522 10.629 0.878 587 HA PRO 73 HA PRO 73 -3.923 7.982 -1.494 588 HB2 PRO 73 HB2 PRO 73 -5.111 8.368 0.942 589 HB3 PRO 73 HB3 PRO 73 -4.127 6.957 0.543 590 HG2 PRO 73 HG2 PRO 73 -3.370 9.431 2.037 591 HG3 PRO 73 HG3 PRO 73 -2.963 7.743 2.388 592 HD2 PRO 73 HD2 PRO 73 -1.210 9.415 1.237 593 HD3 PRO 73 HD3 PRO 73 -1.274 7.693 0.812 594 H ALA 74 H ALA 74 -3.016 11.098 -0.444 595 HA ALA 74 HA ALA 74 -5.692 12.212 -0.819 596 HB1 ALA 74 HB1 ALA 74 -4.313 12.962 1.092 597 HB2 ALA 74 HB2 ALA 74 -4.798 14.278 0.023 598 HB3 ALA 74 HB3 ALA 74 -3.156 13.639 -0.050 599 H GLN 75 H GLN 75 -2.858 11.620 -2.573 600 HA GLN 75 HA GLN 75 -2.899 13.867 -4.303 601 HB2 GLN 75 HB2 GLN 75 -1.015 12.140 -3.887 602 HB3 GLN 75 HB3 GLN 75 -1.850 11.170 -5.088 603 HG2 GLN 75 HG2 GLN 75 -0.133 12.361 -6.199 604 HG3 GLN 75 HG3 GLN 75 -1.671 13.084 -6.665 605 HE21 GLN 75 HE21 GLN 75 -0.133 13.608 -3.566 606 HE22 GLN 75 HE22 GLN 75 0.243 15.271 -3.815 607 H LEU 76 H LEU 76 -4.347 10.679 -4.393 608 HA LEU 76 HA LEU 76 -5.756 11.423 -6.844 609 HB2 LEU 76 HB2 LEU 76 -6.387 8.884 -6.813 610 HB3 LEU 76 HB3 LEU 76 -4.821 9.389 -7.389 611 HG LEU 76 HG LEU 76 -4.855 7.304 -5.974 612 HD11 LEU 76 HD11 LEU 76 -3.135 9.550 -4.933 613 HD12 LEU 76 HD12 LEU 76 -2.794 8.545 -6.341 614 HD13 LEU 76 HD13 LEU 76 -2.840 7.823 -4.734 615 HD21 LEU 76 HD21 LEU 76 -5.497 9.276 -3.797 616 HD22 LEU 76 HD22 LEU 76 -4.897 7.646 -3.511 617 HD23 LEU 76 HD23 LEU 76 -6.459 7.885 -4.299 618 H GLU 77 H GLU 77 -6.123 11.627 -3.698 619 HA GLU 77 HA GLU 77 -7.790 11.800 -2.203 620 HB2 GLU 77 HB2 GLU 77 -9.365 12.553 -4.659 621 HB3 GLU 77 HB3 GLU 77 -9.834 12.890 -2.999 622 HG2 GLU 77 HG2 GLU 77 -7.688 14.180 -2.775 623 HG3 GLU 77 HG3 GLU 77 -7.507 14.013 -4.519 624 H MET 78 H MET 78 -7.505 9.286 -2.328 625 HA MET 78 HA MET 78 -9.865 7.883 -3.153 626 HB2 MET 78 HB2 MET 78 -8.870 5.980 -1.854 627 HB3 MET 78 HB3 MET 78 -7.837 6.625 -3.121 628 HG2 MET 78 HG2 MET 78 -6.517 7.817 -1.502 629 HG3 MET 78 HG3 MET 78 -7.611 7.326 -0.210 630 HE1 MET 78 HE1 MET 78 -5.353 5.793 -3.098 631 HE2 MET 78 HE2 MET 78 -6.826 4.826 -3.062 632 HE3 MET 78 HE3 MET 78 -5.290 4.113 -2.566 633 H GLU 79 H GLU 79 -11.132 6.594 -1.536 634 HA GLU 79 HA GLU 79 -11.977 8.469 0.526 635 HB2 GLU 79 HB2 GLU 79 -13.589 7.485 -1.157 636 HB3 GLU 79 HB3 GLU 79 -13.370 5.938 -0.351 637 HG2 GLU 79 HG2 GLU 79 -15.397 7.064 0.390 638 HG3 GLU 79 HG3 GLU 79 -14.244 6.859 1.710 639 H ASP 80 H ASP 80 -12.634 7.597 2.665 640 HA ASP 80 HA ASP 80 -10.519 6.054 3.775 641 HB2 ASP 80 HB2 ASP 80 -11.676 6.250 5.898 642 HB3 ASP 80 HB3 ASP 80 -11.633 7.815 5.088 643 H GLU 81 H GLU 81 -10.408 4.039 4.395 644 HA GLU 81 HA GLU 81 -10.830 1.875 4.740 645 HB2 GLU 81 HB2 GLU 81 -13.752 2.586 4.436 646 HB3 GLU 81 HB3 GLU 81 -13.145 1.011 4.926 647 HG2 GLU 81 HG2 GLU 81 -11.995 2.254 6.837 648 HG3 GLU 81 HG3 GLU 81 -13.031 3.604 6.400 649 H ASP 82 H ASP 82 -10.627 3.282 2.088 650 HA ASP 82 HA ASP 82 -11.987 1.631 0.211 651 HB2 ASP 82 HB2 ASP 82 -10.725 4.018 0.028 652 HB3 ASP 82 HB3 ASP 82 -9.489 2.953 -0.633 653 H THR 83 H THR 83 -10.429 0.525 -1.538 654 HA THR 83 HA THR 83 -8.479 -1.060 -0.042 655 HB THR 83 HB THR 83 -10.291 -2.453 -1.986 656 HG1 THR 83 HG1 THR 83 -11.394 -1.180 -0.133 657 HG21 THR 83 HG21 THR 83 -8.928 -3.312 0.572 658 HG22 THR 83 HG22 THR 83 -8.296 -3.585 -1.054 659 HG23 THR 83 HG23 THR 83 -9.798 -4.364 -0.548 660 H ILE 84 H ILE 84 -6.856 -1.999 -1.262 661 HA ILE 84 HA ILE 84 -6.552 -0.975 -3.997 662 HB ILE 84 HB ILE 84 -4.495 -1.052 -1.769 663 HG12 ILE 84 HG12 ILE 84 -4.062 1.307 -2.674 664 HG13 ILE 84 HG13 ILE 84 -5.542 1.094 -3.596 665 HG21 ILE 84 HG21 ILE 84 -2.767 -0.485 -3.417 666 HG22 ILE 84 HG22 ILE 84 -3.929 -0.766 -4.714 667 HG23 ILE 84 HG23 ILE 84 -3.434 -2.098 -3.668 668 HD11 ILE 84 HD11 ILE 84 -6.781 0.770 -1.547 669 HD12 ILE 84 HD12 ILE 84 -5.955 2.332 -1.575 670 HD13 ILE 84 HD13 ILE 84 -5.304 0.999 -0.611 671 H ASP 85 H ASP 85 -5.794 -2.440 -5.452 672 HA ASP 85 HA ASP 85 -5.855 -5.199 -4.551 673 HB2 ASP 85 HB2 ASP 85 -5.840 -3.928 -7.263 674 HB3 ASP 85 HB3 ASP 85 -5.728 -5.669 -7.039 675 H VAL 86 H VAL 86 -4.191 -6.549 -4.533 676 HA VAL 86 HA VAL 86 -1.610 -5.528 -5.448 677 HB VAL 86 HB VAL 86 -2.370 -6.860 -2.881 678 HG11 VAL 86 HG11 VAL 86 -0.059 -7.608 -2.500 679 HG12 VAL 86 HG12 VAL 86 0.346 -7.193 -4.167 680 HG13 VAL 86 HG13 VAL 86 -0.812 -8.482 -3.834 681 HG21 VAL 86 HG21 VAL 86 -0.310 -4.807 -3.639 682 HG22 VAL 86 HG22 VAL 86 -0.720 -5.310 -1.999 683 HG23 VAL 86 HG23 VAL 86 -1.915 -4.477 -2.991 684 H PHE 87 H PHE 87 -0.333 -6.870 -6.548 685 HA PHE 87 HA PHE 87 -1.174 -9.619 -6.900 686 HB2 PHE 87 HB2 PHE 87 -0.596 -9.261 -9.434 687 HB3 PHE 87 HB3 PHE 87 -2.211 -8.890 -8.823 688 HD1 PHE 87 HD1 PHE 87 -2.769 -6.485 -8.313 689 HD2 PHE 87 HD2 PHE 87 0.701 -7.630 -10.481 690 HE1 PHE 87 HE1 PHE 87 -2.589 -4.213 -9.198 691 HE2 PHE 87 HE2 PHE 87 0.887 -5.341 -11.385 692 HZ PHE 87 HZ PHE 87 -0.761 -3.632 -10.744 693 H GLN 88 H GLN 88 0.499 -10.986 -7.564 694 HA GLN 88 HA GLN 88 3.113 -9.801 -6.931 695 HB2 GLN 88 HB2 GLN 88 2.601 -12.732 -6.630 696 HB3 GLN 88 HB3 GLN 88 3.723 -11.701 -5.757 697 HG2 GLN 88 HG2 GLN 88 1.515 -10.595 -4.847 698 HG3 GLN 88 HG3 GLN 88 0.807 -12.128 -5.324 699 HE21 GLN 88 HE21 GLN 88 4.053 -11.647 -4.030 700 HE22 GLN 88 HE22 GLN 88 3.781 -12.545 -2.580 701 H GLN 89 H GLN 89 4.263 -9.535 -8.686 702 HA GLN 89 HA GLN 89 4.321 -11.701 -10.668 703 HB2 GLN 89 HB2 GLN 89 4.434 -9.999 -12.455 704 HB3 GLN 89 HB3 GLN 89 2.915 -9.955 -11.574 705 HG2 GLN 89 HG2 GLN 89 3.607 -8.008 -10.357 706 HG3 GLN 89 HG3 GLN 89 5.225 -8.101 -11.047 707 HE21 GLN 89 HE21 GLN 89 1.917 -7.288 -11.629 708 HE22 GLN 89 HE22 GLN 89 2.173 -6.441 -13.108 709 H GLN 90 H GLN 90 6.318 -12.296 -11.316 710 HA GLN 90 HA GLN 90 8.514 -10.481 -10.681 711 HB2 GLN 90 HB2 GLN 90 9.891 -12.721 -10.819 712 HB3 GLN 90 HB3 GLN 90 9.040 -12.288 -9.348 713 HG2 GLN 90 HG2 GLN 90 8.521 -14.523 -9.580 714 HG3 GLN 90 HG3 GLN 90 7.125 -13.746 -10.317 715 HE21 GLN 90 HE21 GLN 90 6.639 -15.578 -11.515 716 HE22 GLN 90 HE22 GLN 90 7.579 -16.048 -12.888 717 H THR 91 H THR 91 9.380 -9.539 -12.373 718 HA THR 91 HA THR 91 8.761 -10.236 -15.014 719 HB THR 91 HB THR 91 9.367 -7.936 -14.356 720 HG1 THR 91 HG1 THR 91 9.853 -9.010 -16.565 721 HG21 THR 91 HG21 THR 91 12.178 -9.023 -14.113 722 HG22 THR 91 HG22 THR 91 11.171 -8.451 -12.783 723 HG23 THR 91 HG23 THR 91 11.720 -7.322 -14.021 724 H GLY 92 H GLY 92 11.260 -11.328 -12.943 725 HA2 GLY 92 HA2 GLY 92 12.311 -12.954 -15.154 726 HA3 GLY 92 HA3 GLY 92 13.411 -12.138 -14.047 727 H GLY 93 H GLY 93 12.913 -15.062 -14.588 728 HA2 GLY 93 HA2 GLY 93 13.416 -16.286 -12.327 729 HA3 GLY 93 HA3 GLY 93 11.715 -15.928 -12.080 Start of MODEL 10 1 H MET 1 H MET 1 -12.954 24.630 14.244 2 HA MET 1 HA MET 1 -14.339 25.514 12.510 3 HB2 MET 1 HB2 MET 1 -15.331 24.061 10.834 4 HB3 MET 1 HB3 MET 1 -13.579 23.981 10.723 5 HG2 MET 1 HG2 MET 1 -13.586 21.857 11.906 6 HG3 MET 1 HG3 MET 1 -15.338 21.947 12.076 7 HE1 MET 1 HE1 MET 1 -15.491 19.495 11.052 8 HE2 MET 1 HE2 MET 1 -13.742 19.441 10.832 9 HE3 MET 1 HE3 MET 1 -14.814 19.040 9.489 10 H ALA 2 H ALA 2 -14.321 23.073 14.802 11 HA ALA 2 HA ALA 2 -17.083 23.661 15.461 12 HB1 ALA 2 HB1 ALA 2 -17.662 21.306 15.757 13 HB2 ALA 2 HB2 ALA 2 -16.074 20.832 15.155 14 HB3 ALA 2 HB3 ALA 2 -17.219 21.642 14.085 15 H ASP 3 H ASP 3 -16.842 24.493 17.420 16 HA ASP 3 HA ASP 3 -14.811 23.509 19.251 17 HB2 ASP 3 HB2 ASP 3 -16.830 25.749 19.408 18 HB3 ASP 3 HB3 ASP 3 -15.832 25.294 20.783 19 H GLU 4 H GLU 4 -16.865 21.689 18.507 20 HA GLU 4 HA GLU 4 -18.190 21.258 21.097 21 HB2 GLU 4 HB2 GLU 4 -19.253 20.675 18.331 22 HB3 GLU 4 HB3 GLU 4 -20.011 20.122 19.817 23 HG2 GLU 4 HG2 GLU 4 -20.399 22.408 20.506 24 HG3 GLU 4 HG3 GLU 4 -19.552 23.004 19.080 25 H LYS 5 H LYS 5 -15.617 20.303 19.722 26 HA LYS 5 HA LYS 5 -16.107 17.434 20.115 27 HB2 LYS 5 HB2 LYS 5 -14.193 18.726 18.158 28 HB3 LYS 5 HB3 LYS 5 -14.278 17.004 18.479 29 HG2 LYS 5 HG2 LYS 5 -16.528 18.661 17.346 30 HG3 LYS 5 HG3 LYS 5 -15.420 17.673 16.394 31 HD2 LYS 5 HD2 LYS 5 -17.223 16.613 18.575 32 HD3 LYS 5 HD3 LYS 5 -17.608 16.576 16.857 33 HE2 LYS 5 HE2 LYS 5 -15.201 15.250 18.118 34 HE3 LYS 5 HE3 LYS 5 -16.699 14.428 17.698 35 HZ1 LYS 5 HZ1 LYS 5 -15.050 14.114 15.986 36 HZ2 LYS 5 HZ2 LYS 5 -14.873 15.786 15.789 37 HZ3 LYS 5 HZ3 LYS 5 -16.326 15.041 15.385 38 HA PRO 6 HA PRO 6 -12.991 18.703 23.181 39 HB2 PRO 6 HB2 PRO 6 -13.848 17.132 25.182 40 HB3 PRO 6 HB3 PRO 6 -14.667 18.645 24.775 41 HG2 PRO 6 HG2 PRO 6 -15.432 15.836 24.103 42 HG3 PRO 6 HG3 PRO 6 -16.460 17.196 24.586 43 HD2 PRO 6 HD2 PRO 6 -16.095 16.349 21.979 44 HD3 PRO 6 HD3 PRO 6 -16.623 17.977 22.444 45 H LYS 7 H LYS 7 -11.093 17.695 23.792 46 HA LYS 7 HA LYS 7 -10.653 15.023 22.677 47 HB2 LYS 7 HB2 LYS 7 -8.666 17.035 23.764 48 HB3 LYS 7 HB3 LYS 7 -8.259 15.524 22.970 49 HG2 LYS 7 HG2 LYS 7 -9.926 17.489 21.476 50 HG3 LYS 7 HG3 LYS 7 -8.214 17.840 21.692 51 HD2 LYS 7 HD2 LYS 7 -8.369 16.714 19.617 52 HD3 LYS 7 HD3 LYS 7 -7.770 15.512 20.754 53 HE2 LYS 7 HE2 LYS 7 -10.004 14.557 20.946 54 HE3 LYS 7 HE3 LYS 7 -10.645 15.801 19.871 55 HZ1 LYS 7 HZ1 LYS 7 -8.641 13.728 19.151 56 HZ2 LYS 7 HZ2 LYS 7 -9.201 14.922 18.105 57 HZ3 LYS 7 HZ3 LYS 7 -10.261 13.738 18.677 58 H GLU 8 H GLU 8 -11.383 16.533 25.540 59 HA GLU 8 HA GLU 8 -9.929 14.890 27.383 60 HB2 GLU 8 HB2 GLU 8 -12.263 16.780 27.721 61 HB3 GLU 8 HB3 GLU 8 -11.518 15.925 29.059 62 HG2 GLU 8 HG2 GLU 8 -10.748 18.237 28.881 63 HG3 GLU 8 HG3 GLU 8 -9.433 17.083 28.682 64 H GLY 9 H GLY 9 -12.427 14.196 25.372 65 HA2 GLY 9 HA2 GLY 9 -14.270 12.870 27.048 66 HA3 GLY 9 HA3 GLY 9 -14.104 12.640 25.315 67 H VAL 10 H VAL 10 -12.315 11.186 24.609 68 HA VAL 10 HA VAL 10 -11.681 9.132 26.610 69 HB VAL 10 HB VAL 10 -12.703 8.475 23.837 70 HG11 VAL 10 HG11 VAL 10 -11.191 6.813 24.721 71 HG12 VAL 10 HG12 VAL 10 -12.839 6.182 24.709 72 HG13 VAL 10 HG13 VAL 10 -12.117 6.733 26.217 73 HG21 VAL 10 HG21 VAL 10 -14.532 9.394 25.136 74 HG22 VAL 10 HG22 VAL 10 -14.162 8.298 26.468 75 HG23 VAL 10 HG23 VAL 10 -14.743 7.654 24.932 76 H LYS 11 H LYS 11 -9.666 8.237 26.381 77 HA LYS 11 HA LYS 11 -7.881 9.462 24.488 78 HB2 LYS 11 HB2 LYS 11 -6.948 9.221 26.624 79 HB3 LYS 11 HB3 LYS 11 -7.546 7.581 26.806 80 HG2 LYS 11 HG2 LYS 11 -5.144 7.590 26.527 81 HG3 LYS 11 HG3 LYS 11 -5.919 6.803 25.153 82 HD2 LYS 11 HD2 LYS 11 -5.723 8.975 23.916 83 HD3 LYS 11 HD3 LYS 11 -4.752 9.580 25.264 84 HE2 LYS 11 HE2 LYS 11 -3.141 7.785 24.922 85 HE3 LYS 11 HE3 LYS 11 -4.121 7.143 23.605 86 HZ1 LYS 11 HZ1 LYS 11 -3.751 9.188 22.387 87 HZ2 LYS 11 HZ2 LYS 11 -2.281 8.459 22.775 88 HZ3 LYS 11 HZ3 LYS 11 -2.810 9.808 23.646 89 H THR 12 H THR 12 -8.828 6.084 25.211 90 HA THR 12 HA THR 12 -7.371 4.955 23.104 91 HB THR 12 HB THR 12 -8.187 3.620 24.984 92 HG1 THR 12 HG1 THR 12 -8.963 2.838 22.359 93 HG21 THR 12 HG21 THR 12 -10.912 3.875 23.697 94 HG22 THR 12 HG22 THR 12 -10.423 4.645 25.204 95 HG23 THR 12 HG23 THR 12 -10.517 2.886 25.104 96 H GLU 13 H GLU 13 -10.294 6.663 23.005 97 HA GLU 13 HA GLU 13 -10.882 5.695 20.296 98 HB2 GLU 13 HB2 GLU 13 -12.514 7.502 22.093 99 HB3 GLU 13 HB3 GLU 13 -13.004 6.920 20.511 100 HG2 GLU 13 HG2 GLU 13 -12.480 5.183 22.911 101 HG3 GLU 13 HG3 GLU 13 -14.071 5.696 22.353 102 H ASN 14 H ASN 14 -10.331 6.870 18.599 103 HA ASN 14 HA ASN 14 -10.011 9.715 18.794 104 HB2 ASN 14 HB2 ASN 14 -7.656 9.816 18.238 105 HB3 ASN 14 HB3 ASN 14 -7.847 8.876 19.712 106 HD21 ASN 14 HD21 ASN 14 -7.552 6.625 19.620 107 HD22 ASN 14 HD22 ASN 14 -6.654 5.885 18.340 108 H ASN 15 H ASN 15 -10.022 10.695 16.832 109 HA ASN 15 HA ASN 15 -10.109 8.960 14.470 110 HB2 ASN 15 HB2 ASN 15 -12.049 11.183 15.141 111 HB3 ASN 15 HB3 ASN 15 -11.903 10.473 13.538 112 HD21 ASN 15 HD21 ASN 15 -13.068 10.067 16.754 113 HD22 ASN 15 HD22 ASN 15 -13.935 8.598 16.481 114 H ASP 16 H ASP 16 -9.275 9.778 12.621 115 HA ASP 16 HA ASP 16 -8.587 12.217 11.813 116 HB2 ASP 16 HB2 ASP 16 -6.288 12.654 12.405 117 HB3 ASP 16 HB3 ASP 16 -7.230 12.540 13.888 118 H HIS 17 H HIS 17 -6.566 12.122 10.256 119 HA HIS 17 HA HIS 17 -6.312 11.371 8.148 120 HB2 HIS 17 HB2 HIS 17 -4.858 9.273 8.129 121 HB3 HIS 17 HB3 HIS 17 -4.261 10.656 9.018 122 HD1 HIS 17 HD1 HIS 17 -3.821 10.328 11.488 123 HD2 HIS 17 HD2 HIS 17 -5.639 7.075 9.705 124 HE1 HIS 17 HE1 HIS 17 -3.679 8.493 13.171 125 HE2 HIS 17 HE2 HIS 17 -5.136 6.707 12.221 126 H ILE 18 H ILE 18 -6.174 8.629 7.224 127 HA ILE 18 HA ILE 18 -9.003 7.915 7.475 128 HB ILE 18 HB ILE 18 -9.134 7.318 5.105 129 HG12 ILE 18 HG12 ILE 18 -6.514 8.816 4.801 130 HG13 ILE 18 HG13 ILE 18 -6.685 7.066 4.702 131 HG21 ILE 18 HG21 ILE 18 -9.320 9.631 4.238 132 HG22 ILE 18 HG22 ILE 18 -8.489 10.203 5.689 133 HG23 ILE 18 HG23 ILE 18 -10.060 9.411 5.825 134 HD11 ILE 18 HD11 ILE 18 -6.554 8.052 2.495 135 HD12 ILE 18 HD12 ILE 18 -7.939 9.085 2.850 136 HD13 ILE 18 HD13 ILE 18 -8.145 7.335 2.751 137 H ASN 19 H ASN 19 -9.466 5.772 6.471 138 HA ASN 19 HA ASN 19 -7.433 3.874 7.400 139 HB2 ASN 19 HB2 ASN 19 -10.366 3.375 6.862 140 HB3 ASN 19 HB3 ASN 19 -9.245 2.296 7.686 141 HD21 ASN 19 HD21 ASN 19 -11.193 5.156 7.937 142 HD22 ASN 19 HD22 ASN 19 -11.073 5.341 9.645 143 H LEU 20 H LEU 20 -6.748 2.271 6.037 144 HA LEU 20 HA LEU 20 -7.987 2.109 3.389 145 HB2 LEU 20 HB2 LEU 20 -5.208 2.826 4.000 146 HB3 LEU 20 HB3 LEU 20 -5.367 1.541 2.823 147 HG LEU 20 HG LEU 20 -5.186 3.539 1.589 148 HD11 LEU 20 HD11 LEU 20 -8.133 2.941 1.695 149 HD12 LEU 20 HD12 LEU 20 -6.936 1.978 0.834 150 HD13 LEU 20 HD13 LEU 20 -7.231 3.648 0.356 151 HD21 LEU 20 HD21 LEU 20 -5.631 5.139 3.347 152 HD22 LEU 20 HD22 LEU 20 -7.337 4.697 3.348 153 HD23 LEU 20 HD23 LEU 20 -6.630 5.486 1.938 154 H LYS 21 H LYS 21 -7.510 0.140 2.240 155 HA LYS 21 HA LYS 21 -6.672 -2.095 3.935 156 HB2 LYS 21 HB2 LYS 21 -9.126 -1.973 2.204 157 HB3 LYS 21 HB3 LYS 21 -8.505 -3.443 2.935 158 HG2 LYS 21 HG2 LYS 21 -8.960 -2.663 5.101 159 HG3 LYS 21 HG3 LYS 21 -9.337 -1.044 4.509 160 HD2 LYS 21 HD2 LYS 21 -11.398 -2.226 5.012 161 HD3 LYS 21 HD3 LYS 21 -11.260 -1.979 3.270 162 HE2 LYS 21 HE2 LYS 21 -10.479 -4.273 2.998 163 HE3 LYS 21 HE3 LYS 21 -10.568 -4.526 4.738 164 HZ1 LYS 21 HZ1 LYS 21 -12.497 -5.438 3.632 165 HZ2 LYS 21 HZ2 LYS 21 -12.858 -3.944 2.942 166 HZ3 LYS 21 HZ3 LYS 21 -12.968 -4.147 4.614 167 H VAL 22 H VAL 22 -5.750 -3.762 2.801 168 HA VAL 22 HA VAL 22 -5.332 -3.277 -0.073 169 HB VAL 22 HB VAL 22 -3.255 -4.316 1.871 170 HG11 VAL 22 HG11 VAL 22 -3.157 -5.489 -0.242 171 HG12 VAL 22 HG12 VAL 22 -1.774 -4.413 -0.041 172 HG13 VAL 22 HG13 VAL 22 -3.106 -3.950 -1.101 173 HG21 VAL 22 HG21 VAL 22 -3.215 -1.848 0.142 174 HG22 VAL 22 HG22 VAL 22 -2.018 -2.324 1.348 175 HG23 VAL 22 HG23 VAL 22 -3.642 -1.853 1.848 176 H ALA 23 H ALA 23 -6.114 -4.836 -1.252 177 HA ALA 23 HA ALA 23 -6.622 -7.428 -0.018 178 HB1 ALA 23 HB1 ALA 23 -8.069 -7.857 -1.923 179 HB2 ALA 23 HB2 ALA 23 -7.588 -6.323 -2.653 180 HB3 ALA 23 HB3 ALA 23 -8.500 -6.335 -1.142 181 H GLY 24 H GLY 24 -5.322 -9.020 -0.369 182 HA2 GLY 24 HA2 GLY 24 -3.194 -8.745 -2.314 183 HA3 GLY 24 HA3 GLY 24 -3.336 -10.007 -1.098 184 H GLN 25 H GLN 25 -2.708 -10.452 -3.792 185 HA GLN 25 HA GLN 25 -4.949 -11.243 -5.322 186 HB2 GLN 25 HB2 GLN 25 -3.322 -12.543 -6.687 187 HB3 GLN 25 HB3 GLN 25 -2.869 -10.863 -6.449 188 HG2 GLN 25 HG2 GLN 25 -0.881 -12.018 -6.184 189 HG3 GLN 25 HG3 GLN 25 -1.410 -11.735 -4.528 190 HE21 GLN 25 HE21 GLN 25 -0.289 -13.445 -3.680 191 HE22 GLN 25 HE22 GLN 25 -0.706 -15.096 -3.984 192 H ASP 26 H ASP 26 -3.525 -12.647 -2.608 193 HA ASP 26 HA ASP 26 -4.298 -15.355 -3.207 194 HB2 ASP 26 HB2 ASP 26 -2.281 -14.720 -1.819 195 HB3 ASP 26 HB3 ASP 26 -3.402 -14.266 -0.540 196 H GLY 27 H GLY 27 -5.875 -12.615 -2.084 197 HA2 GLY 27 HA2 GLY 27 -8.251 -12.638 -1.805 198 HA3 GLY 27 HA3 GLY 27 -8.137 -14.288 -1.216 199 H SER 28 H SER 28 -5.819 -12.181 0.099 200 HA SER 28 HA SER 28 -7.349 -12.063 2.594 201 HB2 SER 28 HB2 SER 28 -5.221 -13.262 2.774 202 HB3 SER 28 HB3 SER 28 -4.365 -11.868 2.117 203 HG SER 28 HG SER 28 -4.149 -11.409 4.161 204 H VAL 29 H VAL 29 -7.207 -10.132 3.824 205 HA VAL 29 HA VAL 29 -6.319 -7.806 2.339 206 HB VAL 29 HB VAL 29 -8.760 -8.140 1.835 207 HG11 VAL 29 HG11 VAL 29 -9.534 -8.979 3.964 208 HG12 VAL 29 HG12 VAL 29 -10.396 -7.490 3.558 209 HG13 VAL 29 HG13 VAL 29 -9.093 -7.459 4.748 210 HG21 VAL 29 HG21 VAL 29 -7.699 -5.956 1.608 211 HG22 VAL 29 HG22 VAL 29 -8.070 -5.592 3.294 212 HG23 VAL 29 HG23 VAL 29 -9.376 -5.802 2.127 213 H VAL 30 H VAL 30 -5.425 -6.279 3.574 214 HA VAL 30 HA VAL 30 -5.544 -6.654 6.484 215 HB VAL 30 HB VAL 30 -3.450 -5.252 4.797 216 HG11 VAL 30 HG11 VAL 30 -2.169 -5.008 6.850 217 HG12 VAL 30 HG12 VAL 30 -3.470 -5.757 7.773 218 HG13 VAL 30 HG13 VAL 30 -3.726 -4.194 6.998 219 HG21 VAL 30 HG21 VAL 30 -1.987 -7.081 5.494 220 HG22 VAL 30 HG22 VAL 30 -3.379 -7.671 4.586 221 HG23 VAL 30 HG23 VAL 30 -3.337 -7.834 6.343 222 H GLN 31 H GLN 31 -6.173 -4.980 7.805 223 HA GLN 31 HA GLN 31 -7.158 -2.575 6.444 224 HB2 GLN 31 HB2 GLN 31 -8.004 -3.520 9.151 225 HB3 GLN 31 HB3 GLN 31 -8.847 -2.436 8.057 226 HG2 GLN 31 HG2 GLN 31 -9.155 -4.330 6.493 227 HG3 GLN 31 HG3 GLN 31 -8.454 -5.390 7.710 228 HE21 GLN 31 HE21 GLN 31 -11.154 -3.448 6.831 229 HE22 GLN 31 HE22 GLN 31 -12.234 -4.082 8.014 230 H PHE 32 H PHE 32 -6.372 -0.671 7.050 231 HA PHE 32 HA PHE 32 -4.901 -0.321 9.518 232 HB2 PHE 32 HB2 PHE 32 -2.838 0.425 8.337 233 HB3 PHE 32 HB3 PHE 32 -3.128 -1.315 8.268 234 HD1 PHE 32 HD1 PHE 32 -4.369 -2.156 6.128 235 HD2 PHE 32 HD2 PHE 32 -2.353 1.581 6.386 236 HE1 PHE 32 HE1 PHE 32 -4.254 -2.056 3.685 237 HE2 PHE 32 HE2 PHE 32 -2.229 1.684 3.963 238 HZ PHE 32 HZ PHE 32 -3.173 -0.128 2.596 239 H LYS 33 H LYS 33 -3.859 1.855 9.553 240 HA LYS 33 HA LYS 33 -5.650 3.787 8.244 241 HB2 LYS 33 HB2 LYS 33 -4.359 4.094 10.948 242 HB3 LYS 33 HB3 LYS 33 -5.514 5.192 10.203 243 HG2 LYS 33 HG2 LYS 33 -7.146 3.288 10.187 244 HG3 LYS 33 HG3 LYS 33 -5.991 2.402 11.160 245 HD2 LYS 33 HD2 LYS 33 -7.077 5.089 11.973 246 HD3 LYS 33 HD3 LYS 33 -7.792 3.554 12.477 247 HE2 LYS 33 HE2 LYS 33 -4.966 4.449 12.988 248 HE3 LYS 33 HE3 LYS 33 -6.270 4.443 14.173 249 HZ1 LYS 33 HZ1 LYS 33 -6.428 2.015 13.873 250 HZ2 LYS 33 HZ2 LYS 33 -4.917 2.489 14.453 251 HZ3 LYS 33 HZ3 LYS 33 -5.096 2.061 12.835 252 H ILE 34 H ILE 34 -4.785 5.550 7.276 253 HA ILE 34 HA ILE 34 -1.940 6.080 7.579 254 HB ILE 34 HB ILE 34 -2.045 4.485 5.713 255 HG12 ILE 34 HG12 ILE 34 -1.526 7.288 4.697 256 HG13 ILE 34 HG13 ILE 34 -0.389 6.336 5.644 257 HG21 ILE 34 HG21 ILE 34 -4.333 4.864 5.010 258 HG22 ILE 34 HG22 ILE 34 -3.230 5.025 3.643 259 HG23 ILE 34 HG23 ILE 34 -3.902 6.465 4.408 260 HD11 ILE 34 HD11 ILE 34 -0.257 4.695 3.861 261 HD12 ILE 34 HD12 ILE 34 0.146 6.305 3.267 262 HD13 ILE 34 HD13 ILE 34 -1.436 5.606 2.917 263 H LYS 35 H LYS 35 -1.349 8.199 6.898 264 HA LYS 35 HA LYS 35 -3.560 10.058 7.094 265 HB2 LYS 35 HB2 LYS 35 -0.648 10.746 6.877 266 HB3 LYS 35 HB3 LYS 35 -1.950 11.739 7.527 267 HG2 LYS 35 HG2 LYS 35 -2.217 9.744 9.188 268 HG3 LYS 35 HG3 LYS 35 -0.546 9.426 8.724 269 HD2 LYS 35 HD2 LYS 35 -1.512 12.087 9.762 270 HD3 LYS 35 HD3 LYS 35 -0.759 10.847 10.767 271 HE2 LYS 35 HE2 LYS 35 0.500 12.211 8.389 272 HE3 LYS 35 HE3 LYS 35 0.849 12.558 10.081 273 HZ1 LYS 35 HZ1 LYS 35 2.535 11.129 9.267 274 HZ2 LYS 35 HZ2 LYS 35 1.421 10.050 8.606 275 HZ3 LYS 35 HZ3 LYS 35 1.564 10.194 10.287 276 H ARG 36 H ARG 36 -3.714 11.912 5.725 277 HA ARG 36 HA ARG 36 -3.935 11.163 3.017 278 HB2 ARG 36 HB2 ARG 36 -3.892 13.996 4.055 279 HB3 ARG 36 HB3 ARG 36 -4.659 13.409 2.591 280 HG2 ARG 36 HG2 ARG 36 -5.511 12.956 5.431 281 HG3 ARG 36 HG3 ARG 36 -6.375 13.816 4.159 282 HD2 ARG 36 HD2 ARG 36 -5.885 10.868 4.432 283 HD3 ARG 36 HD3 ARG 36 -7.438 11.704 4.414 284 HE ARG 36 HE ARG 36 -6.037 10.706 2.189 285 HH11 ARG 36 HH11 ARG 36 -7.977 13.510 3.092 286 HH12 ARG 36 HH12 ARG 36 -8.415 13.884 1.463 287 HH21 ARG 36 HH21 ARG 36 -6.660 11.202 0.025 288 HH22 ARG 36 HH22 ARG 36 -7.644 12.594 -0.289 289 H HIS 37 H HIS 37 -1.530 12.991 4.800 290 HA HIS 37 HA HIS 37 -0.043 13.550 2.348 291 HB2 HIS 37 HB2 HIS 37 0.183 14.532 5.177 292 HB3 HIS 37 HB3 HIS 37 1.430 14.847 3.977 293 HD1 HIS 37 HD1 HIS 37 1.024 16.732 2.351 294 HD2 HIS 37 HD2 HIS 37 -2.345 15.788 4.596 295 HE1 HIS 37 HE1 HIS 37 -0.650 18.534 1.852 296 HE2 HIS 37 HE2 HIS 37 -2.738 17.831 3.064 297 H THR 38 H THR 38 -0.313 10.970 4.112 298 HA THR 38 HA THR 38 2.508 10.498 4.541 299 HB THR 38 HB THR 38 0.029 8.995 5.392 300 HG1 THR 38 HG1 THR 38 1.854 10.711 6.506 301 HG21 THR 38 HG21 THR 38 2.919 8.125 5.663 302 HG22 THR 38 HG22 THR 38 1.699 7.344 4.660 303 HG23 THR 38 HG23 THR 38 1.533 7.333 6.421 304 HA PRO 39 HA PRO 39 2.841 8.625 0.556 305 HB2 PRO 39 HB2 PRO 39 5.184 7.299 1.006 306 HB3 PRO 39 HB3 PRO 39 5.090 9.024 0.627 307 HG2 PRO 39 HG2 PRO 39 5.415 7.662 3.267 308 HG3 PRO 39 HG3 PRO 39 6.197 9.132 2.661 309 HD2 PRO 39 HD2 PRO 39 4.135 9.208 4.387 310 HD3 PRO 39 HD3 PRO 39 4.373 10.454 3.148 311 H LEU 40 H LEU 40 2.482 6.675 -0.440 312 HA LEU 40 HA LEU 40 1.251 4.624 0.986 313 HB2 LEU 40 HB2 LEU 40 2.369 4.738 -1.804 314 HB3 LEU 40 HB3 LEU 40 1.401 3.406 -1.202 315 HG LEU 40 HG LEU 40 0.445 6.251 -1.330 316 HD11 LEU 40 HD11 LEU 40 0.907 5.488 -3.570 317 HD12 LEU 40 HD12 LEU 40 -0.838 5.539 -3.303 318 HD13 LEU 40 HD13 LEU 40 0.018 3.996 -3.267 319 HD21 LEU 40 HD21 LEU 40 -0.719 4.854 0.292 320 HD22 LEU 40 HD22 LEU 40 -1.041 3.669 -0.977 321 HD23 LEU 40 HD23 LEU 40 -1.761 5.275 -1.067 322 H SER 41 H SER 41 4.555 5.267 0.623 323 HA SER 41 HA SER 41 5.758 2.795 0.408 324 HB2 SER 41 HB2 SER 41 7.593 3.803 1.842 325 HB3 SER 41 HB3 SER 41 7.131 4.757 0.435 326 HG SER 41 HG SER 41 6.688 6.306 1.754 327 HH31 ALY 42 HH31 ALY 42 -0.047 0.258 9.094 328 HH32 ALY 42 HH32 ALY 42 -1.399 1.340 9.491 329 HH33 ALY 42 HH33 ALY 42 -0.292 0.770 10.757 330 HZ ALY 42 HZ ALY 42 -0.189 2.492 7.637 331 HE3 ALY 42 HE3 ALY 42 1.636 4.492 8.199 332 HE2 ALY 42 HE2 ALY 42 2.563 3.018 7.925 333 HD3 ALY 42 HD3 ALY 42 1.462 2.767 5.727 334 HD2 ALY 42 HD2 ALY 42 0.598 4.278 6.012 335 HG3 ALY 42 HG3 ALY 42 2.535 4.649 4.571 336 HG2 ALY 42 HG2 ALY 42 2.751 5.472 6.111 337 HB3 ALY 42 HB3 ALY 42 4.813 4.512 5.828 338 HB2 ALY 42 HB2 ALY 42 4.008 3.278 6.768 339 HCA ALY 42 HCA ALY 42 5.225 2.170 5.036 340 H ALY 42 H ALY 42 4.511 4.341 3.363 341 H LEU 43 H LEU 43 2.396 2.987 3.172 342 HA LEU 43 HA LEU 43 0.628 1.056 4.201 343 HB2 LEU 43 HB2 LEU 43 -0.283 2.843 2.929 344 HB3 LEU 43 HB3 LEU 43 0.791 2.544 1.584 345 HG LEU 43 HG LEU 43 -1.260 0.476 2.295 346 HD11 LEU 43 HD11 LEU 43 -2.865 1.591 0.819 347 HD12 LEU 43 HD12 LEU 43 -1.783 2.973 0.684 348 HD13 LEU 43 HD13 LEU 43 -2.512 2.577 2.240 349 HD21 LEU 43 HD21 LEU 43 -0.061 1.460 -0.300 350 HD22 LEU 43 HD22 LEU 43 -1.208 0.122 -0.138 351 HD23 LEU 43 HD23 LEU 43 0.406 -0.010 0.568 352 H MET 44 H MET 44 2.775 0.978 1.381 353 HA MET 44 HA MET 44 2.208 -1.648 0.566 354 HB2 MET 44 HB2 MET 44 4.512 0.222 0.137 355 HB3 MET 44 HB3 MET 44 4.601 -1.439 -0.431 356 HG2 MET 44 HG2 MET 44 2.926 -1.152 -1.963 357 HG3 MET 44 HG3 MET 44 2.271 0.283 -1.195 358 HE1 MET 44 HE1 MET 44 2.697 0.086 -4.307 359 HE2 MET 44 HE2 MET 44 3.423 1.661 -4.628 360 HE3 MET 44 HE3 MET 44 2.105 1.517 -3.466 361 H LYS 45 H LYS 45 4.739 -0.337 2.653 362 HA LYS 45 HA LYS 45 6.004 -2.800 3.142 363 HB2 LYS 45 HB2 LYS 45 7.153 -0.704 3.539 364 HB3 LYS 45 HB3 LYS 45 5.970 -0.245 4.753 365 HG2 LYS 45 HG2 LYS 45 8.015 -0.963 5.795 366 HG3 LYS 45 HG3 LYS 45 6.720 -2.091 6.180 367 HD2 LYS 45 HD2 LYS 45 8.673 -3.374 5.699 368 HD3 LYS 45 HD3 LYS 45 7.583 -3.546 4.328 369 HE2 LYS 45 HE2 LYS 45 8.873 -2.070 2.992 370 HE3 LYS 45 HE3 LYS 45 9.803 -1.510 4.381 371 HZ1 LYS 45 HZ1 LYS 45 10.776 -3.716 4.557 372 HZ2 LYS 45 HZ2 LYS 45 11.084 -3.038 3.045 373 HZ3 LYS 45 HZ3 LYS 45 9.905 -4.239 3.202 374 H ALA 46 H ALA 46 3.449 -1.076 4.828 375 HA ALA 46 HA ALA 46 3.293 -2.704 7.099 376 HB1 ALA 46 HB1 ALA 46 1.041 -1.837 7.425 377 HB2 ALA 46 HB2 ALA 46 1.004 -1.265 5.757 378 HB3 ALA 46 HB3 ALA 46 2.122 -0.539 6.915 379 H TYR 47 H TYR 47 1.462 -2.918 4.036 380 HA TYR 47 HA TYR 47 0.089 -5.269 4.727 381 HB2 TYR 47 HB2 TYR 47 -0.773 -4.053 2.892 382 HB3 TYR 47 HB3 TYR 47 0.790 -4.001 2.085 383 HD1 TYR 47 HD1 TYR 47 -2.059 -6.194 2.951 384 HD2 TYR 47 HD2 TYR 47 1.501 -5.773 0.665 385 HE1 TYR 47 HE1 TYR 47 -2.643 -8.215 1.678 386 HE2 TYR 47 HE2 TYR 47 0.929 -7.782 -0.620 387 HH TYR 47 HH TYR 47 -0.421 -9.804 -0.349 388 H CYS 48 H CYS 48 3.129 -4.662 3.101 389 HA CYS 48 HA CYS 48 3.712 -7.277 2.293 390 HB2 CYS 48 HB2 CYS 48 5.670 -6.396 1.518 391 HB3 CYS 48 HB3 CYS 48 4.901 -4.866 1.934 392 HG CYS 48 HG CYS 48 6.130 -4.890 4.537 393 H GLU 49 H GLU 49 4.359 -5.615 5.332 394 HA GLU 49 HA GLU 49 5.986 -7.718 6.368 395 HB2 GLU 49 HB2 GLU 49 4.597 -5.489 7.841 396 HB3 GLU 49 HB3 GLU 49 5.859 -6.527 8.501 397 HG2 GLU 49 HG2 GLU 49 7.112 -5.581 6.313 398 HG3 GLU 49 HG3 GLU 49 6.027 -4.248 6.654 399 H ARG 50 H ARG 50 2.579 -6.926 6.521 400 HA ARG 50 HA ARG 50 1.869 -8.734 8.581 401 HB2 ARG 50 HB2 ARG 50 0.206 -7.743 6.269 402 HB3 ARG 50 HB3 ARG 50 -0.417 -8.551 7.697 403 HG2 ARG 50 HG2 ARG 50 1.049 -5.925 7.737 404 HG3 ARG 50 HG3 ARG 50 -0.703 -6.093 7.702 405 HD2 ARG 50 HD2 ARG 50 -0.133 -5.743 9.944 406 HD3 ARG 50 HD3 ARG 50 -0.487 -7.455 9.818 407 HE ARG 50 HE ARG 50 1.884 -7.887 9.957 408 HH11 ARG 50 HH11 ARG 50 0.923 -4.589 10.708 409 HH12 ARG 50 HH12 ARG 50 2.325 -4.265 11.664 410 HH21 ARG 50 HH21 ARG 50 3.740 -7.458 11.215 411 HH22 ARG 50 HH22 ARG 50 3.950 -5.904 11.937 412 H GLN 51 H GLN 51 1.859 -9.034 5.066 413 HA GLN 51 HA GLN 51 1.091 -11.806 5.194 414 HB2 GLN 51 HB2 GLN 51 1.492 -9.811 3.083 415 HB3 GLN 51 HB3 GLN 51 2.010 -11.428 2.631 416 HG2 GLN 51 HG2 GLN 51 -0.283 -11.032 1.951 417 HG3 GLN 51 HG3 GLN 51 -0.205 -12.300 3.168 418 HE21 GLN 51 HE21 GLN 51 0.040 -8.865 3.865 419 HE22 GLN 51 HE22 GLN 51 -1.460 -8.756 4.713 420 H GLY 52 H GLY 52 4.057 -10.052 5.209 421 HA2 GLY 52 HA2 GLY 52 6.113 -10.947 5.864 422 HA3 GLY 52 HA3 GLY 52 5.501 -12.558 5.523 423 H LEU 53 H LEU 53 4.739 -10.675 2.929 424 HA LEU 53 HA LEU 53 6.906 -11.809 1.392 425 HB2 LEU 53 HB2 LEU 53 5.579 -10.919 -0.566 426 HB3 LEU 53 HB3 LEU 53 4.818 -12.163 0.400 427 HG LEU 53 HG LEU 53 3.555 -10.280 1.576 428 HD11 LEU 53 HD11 LEU 53 4.543 -8.726 -0.801 429 HD12 LEU 53 HD12 LEU 53 4.957 -8.430 0.885 430 HD13 LEU 53 HD13 LEU 53 3.296 -8.202 0.332 431 HD21 LEU 53 HD21 LEU 53 2.503 -11.771 -0.030 432 HD22 LEU 53 HD22 LEU 53 3.066 -10.760 -1.360 433 HD23 LEU 53 HD23 LEU 53 1.889 -10.128 -0.210 434 H SER 54 H SER 54 7.570 -10.335 -0.577 435 HA SER 54 HA SER 54 8.817 -7.964 0.604 436 HB2 SER 54 HB2 SER 54 9.416 -9.575 -1.879 437 HB3 SER 54 HB3 SER 54 10.302 -8.125 -1.433 438 HG SER 54 HG SER 54 10.024 -10.358 0.302 439 H MET 55 H MET 55 8.426 -5.905 -0.167 440 HA MET 55 HA MET 55 6.074 -5.472 -1.719 441 HB2 MET 55 HB2 MET 55 6.700 -3.054 -1.654 442 HB3 MET 55 HB3 MET 55 6.639 -3.816 -0.075 443 HG2 MET 55 HG2 MET 55 8.922 -3.706 0.217 444 HG3 MET 55 HG3 MET 55 9.243 -3.612 -1.516 445 HE1 MET 55 HE1 MET 55 7.416 -0.087 0.840 446 HE2 MET 55 HE2 MET 55 7.645 -1.695 1.526 447 HE3 MET 55 HE3 MET 55 6.478 -1.447 0.232 448 H ARG 56 H ARG 56 9.421 -5.745 -2.526 449 HA ARG 56 HA ARG 56 9.246 -4.492 -5.093 450 HB2 ARG 56 HB2 ARG 56 11.495 -5.298 -5.443 451 HB3 ARG 56 HB3 ARG 56 11.354 -4.703 -3.797 452 HG2 ARG 56 HG2 ARG 56 10.926 -7.147 -3.153 453 HG3 ARG 56 HG3 ARG 56 11.567 -7.530 -4.748 454 HD2 ARG 56 HD2 ARG 56 12.987 -5.934 -2.622 455 HD3 ARG 56 HD3 ARG 56 13.292 -7.628 -3.002 456 HE ARG 56 HE ARG 56 13.638 -6.265 -5.368 457 HH11 ARG 56 HH11 ARG 56 15.062 -6.169 -2.161 458 HH12 ARG 56 HH12 ARG 56 16.608 -5.627 -2.709 459 HH21 ARG 56 HH21 ARG 56 15.705 -5.545 -6.113 460 HH22 ARG 56 HH22 ARG 56 16.980 -5.272 -4.979 461 H GLN 57 H GLN 57 8.161 -7.412 -3.888 462 HA GLN 57 HA GLN 57 8.319 -8.785 -6.476 463 HB2 GLN 57 HB2 GLN 57 7.465 -9.832 -3.779 464 HB3 GLN 57 HB3 GLN 57 7.658 -10.788 -5.243 465 HG2 GLN 57 HG2 GLN 57 9.876 -9.254 -3.920 466 HG3 GLN 57 HG3 GLN 57 9.542 -10.960 -3.633 467 HE21 GLN 57 HE21 GLN 57 10.661 -8.596 -5.908 468 HE22 GLN 57 HE22 GLN 57 11.398 -9.705 -6.999 469 H ILE 58 H ILE 58 6.308 -6.629 -5.212 470 HA ILE 58 HA ILE 58 3.964 -7.873 -6.414 471 HB ILE 58 HB ILE 58 2.534 -6.958 -4.564 472 HG12 ILE 58 HG12 ILE 58 5.137 -6.801 -3.054 473 HG13 ILE 58 HG13 ILE 58 4.292 -5.404 -3.707 474 HG21 ILE 58 HG21 ILE 58 2.896 -8.816 -3.066 475 HG22 ILE 58 HG22 ILE 58 4.530 -9.030 -3.692 476 HG23 ILE 58 HG23 ILE 58 3.145 -9.339 -4.735 477 HD11 ILE 58 HD11 ILE 58 2.376 -5.894 -2.278 478 HD12 ILE 58 HD12 ILE 58 3.850 -5.686 -1.330 479 HD13 ILE 58 HD13 ILE 58 3.217 -7.303 -1.637 480 H ARG 59 H ARG 59 2.146 -6.139 -6.373 481 HA ARG 59 HA ARG 59 3.133 -3.441 -6.734 482 HB2 ARG 59 HB2 ARG 59 2.055 -5.096 -8.990 483 HB3 ARG 59 HB3 ARG 59 1.822 -3.356 -8.981 484 HG2 ARG 59 HG2 ARG 59 4.485 -4.762 -8.872 485 HG3 ARG 59 HG3 ARG 59 3.769 -4.017 -10.304 486 HD2 ARG 59 HD2 ARG 59 4.455 -2.557 -7.750 487 HD3 ARG 59 HD3 ARG 59 5.449 -2.574 -9.191 488 HE ARG 59 HE ARG 59 3.080 -1.691 -10.121 489 HH11 ARG 59 HH11 ARG 59 5.138 -0.668 -7.464 490 HH12 ARG 59 HH12 ARG 59 4.652 0.983 -7.538 491 HH21 ARG 59 HH21 ARG 59 2.456 0.494 -10.259 492 HH22 ARG 59 HH22 ARG 59 3.112 1.665 -9.168 493 H PHE 60 H PHE 60 1.562 -1.857 -6.680 494 HA PHE 60 HA PHE 60 -1.037 -2.790 -5.639 495 HB2 PHE 60 HB2 PHE 60 0.554 -0.308 -4.860 496 HB3 PHE 60 HB3 PHE 60 -1.105 -0.608 -4.387 497 HD1 PHE 60 HD1 PHE 60 2.092 -2.551 -4.383 498 HD2 PHE 60 HD2 PHE 60 -1.345 -1.272 -2.240 499 HE1 PHE 60 HE1 PHE 60 2.894 -3.744 -2.389 500 HE2 PHE 60 HE2 PHE 60 -0.541 -2.467 -0.239 501 HZ PHE 60 HZ PHE 60 1.574 -3.709 -0.321 502 H ARG 61 H ARG 61 -2.822 -2.113 -6.622 503 HA ARG 61 HA ARG 61 -2.655 0.235 -8.403 504 HB2 ARG 61 HB2 ARG 61 -3.981 -0.812 -10.087 505 HB3 ARG 61 HB3 ARG 61 -2.633 -1.882 -9.716 506 HG2 ARG 61 HG2 ARG 61 -4.002 -3.530 -9.098 507 HG3 ARG 61 HG3 ARG 61 -4.915 -2.426 -8.075 508 HD2 ARG 61 HD2 ARG 61 -6.419 -1.969 -9.647 509 HD3 ARG 61 HD3 ARG 61 -5.324 -2.244 -11.004 510 HE ARG 61 HE ARG 61 -6.038 -4.599 -9.433 511 HH11 ARG 61 HH11 ARG 61 -6.704 -2.698 -12.312 512 HH12 ARG 61 HH12 ARG 61 -7.528 -3.987 -13.115 513 HH21 ARG 61 HH21 ARG 61 -7.094 -6.301 -10.511 514 HH22 ARG 61 HH22 ARG 61 -7.747 -6.051 -12.094 515 H PHE 62 H PHE 62 -4.381 1.558 -8.464 516 HA PHE 62 HA PHE 62 -6.821 0.834 -7.062 517 HB2 PHE 62 HB2 PHE 62 -5.433 1.861 -5.311 518 HB3 PHE 62 HB3 PHE 62 -5.126 3.242 -6.350 519 HD1 PHE 62 HD1 PHE 62 -7.694 1.532 -4.325 520 HD2 PHE 62 HD2 PHE 62 -6.707 4.996 -6.603 521 HE1 PHE 62 HE1 PHE 62 -9.671 2.684 -3.440 522 HE2 PHE 62 HE2 PHE 62 -8.686 6.149 -5.711 523 HZ PHE 62 HZ PHE 62 -10.170 4.992 -4.128 524 H ASP 63 H ASP 63 -8.607 1.877 -7.970 525 HA ASP 63 HA ASP 63 -9.832 3.130 -9.456 526 HB2 ASP 63 HB2 ASP 63 -8.375 4.965 -8.369 527 HB3 ASP 63 HB3 ASP 63 -7.432 4.907 -9.828 528 H GLY 64 H GLY 64 -7.993 0.927 -10.335 529 HA2 GLY 64 HA2 GLY 64 -7.488 -0.002 -12.340 530 HA3 GLY 64 HA3 GLY 64 -8.178 1.425 -13.092 531 H GLN 65 H GLN 65 -5.927 2.589 -10.985 532 HA GLN 65 HA GLN 65 -3.843 2.459 -13.052 533 HB2 GLN 65 HB2 GLN 65 -3.200 4.769 -12.357 534 HB3 GLN 65 HB3 GLN 65 -4.774 4.664 -13.129 535 HG2 GLN 65 HG2 GLN 65 -5.823 4.703 -10.903 536 HG3 GLN 65 HG3 GLN 65 -4.235 4.930 -10.181 537 HE21 GLN 65 HE21 GLN 65 -6.745 6.338 -12.074 538 HE22 GLN 65 HE22 GLN 65 -6.195 7.972 -11.979 539 HA PRO 66 HA PRO 66 -1.260 0.982 -9.816 540 HB2 PRO 66 HB2 PRO 66 1.156 1.514 -10.918 541 HB3 PRO 66 HB3 PRO 66 0.115 0.208 -11.501 542 HG2 PRO 66 HG2 PRO 66 0.501 2.962 -12.607 543 HG3 PRO 66 HG3 PRO 66 0.397 1.416 -13.470 544 HD2 PRO 66 HD2 PRO 66 -1.694 3.143 -13.266 545 HD3 PRO 66 HD3 PRO 66 -1.903 1.381 -13.374 546 H ILE 67 H ILE 67 -0.042 1.763 -8.088 547 HA ILE 67 HA ILE 67 0.589 4.630 -8.121 548 HB ILE 67 HB ILE 67 -0.033 4.777 -5.696 549 HG12 ILE 67 HG12 ILE 67 -0.223 2.190 -5.486 550 HG13 ILE 67 HG13 ILE 67 -1.354 3.193 -4.592 551 HG21 ILE 67 HG21 ILE 67 -2.427 5.154 -6.107 552 HG22 ILE 67 HG22 ILE 67 -2.262 4.344 -7.666 553 HG23 ILE 67 HG23 ILE 67 -1.386 5.843 -7.352 554 HD11 ILE 67 HD11 ILE 67 -2.458 1.287 -5.602 555 HD12 ILE 67 HD12 ILE 67 -1.903 1.795 -7.197 556 HD13 ILE 67 HD13 ILE 67 -3.047 2.794 -6.303 557 H ASN 68 H ASN 68 2.433 5.187 -7.277 558 HA ASN 68 HA ASN 68 4.186 3.059 -6.378 559 HB2 ASN 68 HB2 ASN 68 5.790 5.240 -6.424 560 HB3 ASN 68 HB3 ASN 68 5.473 4.235 -7.835 561 HD21 ASN 68 HD21 ASN 68 4.717 7.217 -6.227 562 HD22 ASN 68 HD22 ASN 68 3.957 7.986 -7.572 563 H GLU 69 H GLU 69 5.539 3.315 -4.527 564 HA GLU 69 HA GLU 69 4.148 3.949 -2.185 565 HB2 GLU 69 HB2 GLU 69 6.438 3.749 -1.109 566 HB3 GLU 69 HB3 GLU 69 5.844 2.351 -1.996 567 HG2 GLU 69 HG2 GLU 69 7.298 2.692 -3.745 568 HG3 GLU 69 HG3 GLU 69 7.636 4.367 -3.287 569 H THR 70 H THR 70 5.965 5.952 -4.253 570 HA THR 70 HA THR 70 6.628 7.958 -2.317 571 HB THR 70 HB THR 70 7.298 9.272 -4.334 572 HG1 THR 70 HG1 THR 70 6.960 8.416 -6.331 573 HG21 THR 70 HG21 THR 70 8.862 7.709 -3.239 574 HG22 THR 70 HG22 THR 70 9.129 7.798 -4.982 575 HG23 THR 70 HG23 THR 70 8.274 6.420 -4.293 576 H ASP 71 H ASP 71 3.847 7.078 -3.922 577 HA ASP 71 HA ASP 71 2.748 9.778 -4.036 578 HB2 ASP 71 HB2 ASP 71 1.949 7.176 -5.192 579 HB3 ASP 71 HB3 ASP 71 0.632 8.257 -4.761 580 H THR 72 H THR 72 0.591 10.151 -3.126 581 HA THR 72 HA THR 72 0.351 8.827 -0.510 582 HB THR 72 HB THR 72 -0.631 11.016 0.264 583 HG1 THR 72 HG1 THR 72 0.316 12.756 -1.332 584 HG21 THR 72 HG21 THR 72 2.195 11.139 -0.799 585 HG22 THR 72 HG22 THR 72 1.700 10.434 0.746 586 HG23 THR 72 HG23 THR 72 1.522 12.167 0.472 587 HA PRO 73 HA PRO 73 -3.888 7.895 -1.510 588 HB2 PRO 73 HB2 PRO 73 -5.142 8.407 0.879 589 HB3 PRO 73 HB3 PRO 73 -4.212 6.943 0.554 590 HG2 PRO 73 HG2 PRO 73 -3.404 9.417 2.022 591 HG3 PRO 73 HG3 PRO 73 -3.053 7.719 2.399 592 HD2 PRO 73 HD2 PRO 73 -1.238 9.350 1.265 593 HD3 PRO 73 HD3 PRO 73 -1.313 7.615 0.904 594 H ALA 74 H ALA 74 -2.828 10.971 -0.681 595 HA ALA 74 HA ALA 74 -5.414 12.260 -1.096 596 HB1 ALA 74 HB1 ALA 74 -2.740 13.495 -0.461 597 HB2 ALA 74 HB2 ALA 74 -3.958 13.046 0.729 598 HB3 ALA 74 HB3 ALA 74 -4.304 14.310 -0.453 599 H GLN 75 H GLN 75 -2.689 11.271 -2.831 600 HA GLN 75 HA GLN 75 -2.505 13.330 -4.776 601 HB2 GLN 75 HB2 GLN 75 -0.855 11.405 -4.222 602 HB3 GLN 75 HB3 GLN 75 -1.843 10.447 -5.313 603 HG2 GLN 75 HG2 GLN 75 -0.144 11.202 -6.671 604 HG3 GLN 75 HG3 GLN 75 -1.444 12.352 -6.992 605 HE21 GLN 75 HE21 GLN 75 1.633 11.845 -5.538 606 HE22 GLN 75 HE22 GLN 75 2.006 13.506 -5.220 607 H LEU 76 H LEU 76 -4.382 10.393 -4.495 608 HA LEU 76 HA LEU 76 -5.737 11.051 -7.005 609 HB2 LEU 76 HB2 LEU 76 -6.491 8.571 -6.894 610 HB3 LEU 76 HB3 LEU 76 -4.879 8.954 -7.443 611 HG LEU 76 HG LEU 76 -5.100 6.931 -5.932 612 HD11 LEU 76 HD11 LEU 76 -3.245 9.081 -4.943 613 HD12 LEU 76 HD12 LEU 76 -2.951 8.035 -6.331 614 HD13 LEU 76 HD13 LEU 76 -3.063 7.343 -4.713 615 HD21 LEU 76 HD21 LEU 76 -5.666 9.068 -3.900 616 HD22 LEU 76 HD22 LEU 76 -5.110 7.453 -3.481 617 HD23 LEU 76 HD23 LEU 76 -6.658 7.666 -4.305 618 H GLU 77 H GLU 77 -6.125 11.456 -3.854 619 HA GLU 77 HA GLU 77 -7.827 11.771 -2.413 620 HB2 GLU 77 HB2 GLU 77 -9.045 12.487 -5.044 621 HB3 GLU 77 HB3 GLU 77 -10.000 12.568 -3.571 622 HG2 GLU 77 HG2 GLU 77 -7.376 13.978 -3.953 623 HG3 GLU 77 HG3 GLU 77 -8.951 14.715 -4.252 624 H MET 78 H MET 78 -7.567 9.258 -2.303 625 HA MET 78 HA MET 78 -9.904 7.787 -3.126 626 HB2 MET 78 HB2 MET 78 -8.922 5.945 -1.732 627 HB3 MET 78 HB3 MET 78 -7.884 6.531 -3.021 628 HG2 MET 78 HG2 MET 78 -6.566 7.787 -1.458 629 HG3 MET 78 HG3 MET 78 -7.674 7.378 -0.148 630 HE1 MET 78 HE1 MET 78 -6.830 4.746 -2.878 631 HE2 MET 78 HE2 MET 78 -5.332 4.025 -2.288 632 HE3 MET 78 HE3 MET 78 -5.333 5.676 -2.899 633 H GLU 79 H GLU 79 -11.111 6.486 -1.435 634 HA GLU 79 HA GLU 79 -12.083 8.392 0.542 635 HB2 GLU 79 HB2 GLU 79 -13.679 7.317 -1.017 636 HB3 GLU 79 HB3 GLU 79 -13.236 5.746 -0.374 637 HG2 GLU 79 HG2 GLU 79 -14.102 6.410 1.818 638 HG3 GLU 79 HG3 GLU 79 -14.563 7.974 1.153 639 H ASP 80 H ASP 80 -12.759 7.466 2.678 640 HA ASP 80 HA ASP 80 -10.549 6.067 3.848 641 HB2 ASP 80 HB2 ASP 80 -11.935 6.268 5.969 642 HB3 ASP 80 HB3 ASP 80 -11.448 7.785 5.219 643 H GLU 81 H GLU 81 -10.471 4.063 4.544 644 HA GLU 81 HA GLU 81 -10.913 1.896 4.889 645 HB2 GLU 81 HB2 GLU 81 -13.829 2.634 4.603 646 HB3 GLU 81 HB3 GLU 81 -13.220 1.080 5.158 647 HG2 GLU 81 HG2 GLU 81 -12.054 2.363 7.009 648 HG3 GLU 81 HG3 GLU 81 -13.014 3.747 6.510 649 H ASP 82 H ASP 82 -10.836 3.334 2.169 650 HA ASP 82 HA ASP 82 -12.092 1.595 0.328 651 HB2 ASP 82 HB2 ASP 82 -10.818 3.991 0.109 652 HB3 ASP 82 HB3 ASP 82 -9.590 2.895 -0.522 653 H THR 83 H THR 83 -10.498 0.463 -1.397 654 HA THR 83 HA THR 83 -8.476 -1.035 0.103 655 HB THR 83 HB THR 83 -10.387 -2.508 -1.703 656 HG1 THR 83 HG1 THR 83 -11.237 -1.289 0.365 657 HG21 THR 83 HG21 THR 83 -8.698 -3.359 0.659 658 HG22 THR 83 HG22 THR 83 -8.278 -3.609 -1.037 659 HG23 THR 83 HG23 THR 83 -9.678 -4.429 -0.344 660 H ILE 84 H ILE 84 -6.882 -2.060 -1.218 661 HA ILE 84 HA ILE 84 -6.726 -0.998 -3.959 662 HB ILE 84 HB ILE 84 -4.540 -1.184 -1.865 663 HG12 ILE 84 HG12 ILE 84 -4.135 1.211 -2.711 664 HG13 ILE 84 HG13 ILE 84 -5.691 1.059 -3.510 665 HG21 ILE 84 HG21 ILE 84 -3.569 -2.140 -3.836 666 HG22 ILE 84 HG22 ILE 84 -2.940 -0.501 -3.649 667 HG23 ILE 84 HG23 ILE 84 -4.199 -0.835 -4.840 668 HD11 ILE 84 HD11 ILE 84 -5.914 2.213 -1.410 669 HD12 ILE 84 HD12 ILE 84 -5.190 0.847 -0.558 670 HD13 ILE 84 HD13 ILE 84 -6.755 0.664 -1.357 671 H ASP 85 H ASP 85 -5.873 -2.395 -5.509 672 HA ASP 85 HA ASP 85 -6.022 -5.218 -4.805 673 HB2 ASP 85 HB2 ASP 85 -7.119 -4.210 -6.870 674 HB3 ASP 85 HB3 ASP 85 -5.474 -4.022 -7.488 675 H VAL 86 H VAL 86 -4.329 -6.474 -4.594 676 HA VAL 86 HA VAL 86 -1.733 -5.471 -5.486 677 HB VAL 86 HB VAL 86 -2.501 -6.856 -2.939 678 HG11 VAL 86 HG11 VAL 86 -0.170 -7.479 -2.531 679 HG12 VAL 86 HG12 VAL 86 0.272 -6.947 -4.155 680 HG13 VAL 86 HG13 VAL 86 -0.797 -8.333 -3.943 681 HG21 VAL 86 HG21 VAL 86 -0.583 -4.651 -3.642 682 HG22 VAL 86 HG22 VAL 86 -0.972 -5.208 -2.015 683 HG23 VAL 86 HG23 VAL 86 -2.216 -4.450 -3.010 684 H PHE 87 H PHE 87 -0.511 -6.708 -6.661 685 HA PHE 87 HA PHE 87 -1.233 -9.511 -7.034 686 HB2 PHE 87 HB2 PHE 87 -0.722 -9.133 -9.533 687 HB3 PHE 87 HB3 PHE 87 -2.296 -8.628 -8.914 688 HD1 PHE 87 HD1 PHE 87 -2.660 -6.190 -8.402 689 HD2 PHE 87 HD2 PHE 87 0.724 -7.601 -10.559 690 HE1 PHE 87 HE1 PHE 87 -2.283 -3.933 -9.272 691 HE2 PHE 87 HE2 PHE 87 1.103 -5.338 -11.443 692 HZ PHE 87 HZ PHE 87 -0.403 -3.498 -10.802 693 H GLN 88 H GLN 88 0.509 -10.854 -7.609 694 HA GLN 88 HA GLN 88 3.098 -9.560 -7.121 695 HB2 GLN 88 HB2 GLN 88 2.732 -12.499 -6.774 696 HB3 GLN 88 HB3 GLN 88 3.811 -11.399 -5.934 697 HG2 GLN 88 HG2 GLN 88 1.606 -10.433 -4.928 698 HG3 GLN 88 HG3 GLN 88 0.920 -11.964 -5.446 699 HE21 GLN 88 HE21 GLN 88 4.185 -11.441 -4.229 700 HE22 GLN 88 HE22 GLN 88 3.993 -12.411 -2.813 701 H GLN 89 H GLN 89 4.143 -9.284 -8.952 702 HA GLN 89 HA GLN 89 3.777 -10.864 -11.270 703 HB2 GLN 89 HB2 GLN 89 5.882 -8.851 -10.511 704 HB3 GLN 89 HB3 GLN 89 5.874 -9.674 -12.064 705 HG2 GLN 89 HG2 GLN 89 3.608 -8.776 -12.477 706 HG3 GLN 89 HG3 GLN 89 3.734 -7.867 -10.972 707 HE21 GLN 89 HE21 GLN 89 3.511 -5.929 -12.096 708 HE22 GLN 89 HE22 GLN 89 4.801 -5.255 -13.029 709 H GLN 90 H GLN 90 6.024 -11.568 -12.351 710 HA GLN 90 HA GLN 90 6.726 -13.904 -10.801 711 HB2 GLN 90 HB2 GLN 90 7.835 -14.683 -12.869 712 HB3 GLN 90 HB3 GLN 90 6.156 -14.255 -13.127 713 HG2 GLN 90 HG2 GLN 90 8.411 -12.373 -13.748 714 HG3 GLN 90 HG3 GLN 90 7.821 -13.562 -14.911 715 HE21 GLN 90 HE21 GLN 90 5.717 -13.326 -15.724 716 HE22 GLN 90 HE22 GLN 90 4.890 -11.810 -15.654 717 H THR 91 H THR 91 9.198 -14.511 -11.613 718 HA THR 91 HA THR 91 11.092 -12.422 -11.272 719 HB THR 91 HB THR 91 10.298 -12.529 -8.931 720 HG1 THR 91 HG1 THR 91 12.295 -12.438 -8.116 721 HG21 THR 91 HG21 THR 91 9.568 -14.851 -8.844 722 HG22 THR 91 HG22 THR 91 10.747 -14.539 -7.568 723 HG23 THR 91 HG23 THR 91 11.233 -15.400 -9.029 724 H GLY 92 H GLY 92 13.332 -13.291 -11.149 725 HA2 GLY 92 HA2 GLY 92 13.497 -15.734 -12.730 726 HA3 GLY 92 HA3 GLY 92 14.798 -14.584 -12.445 727 H GLY 93 H GLY 93 15.750 -16.952 -12.150 728 HA2 GLY 93 HA2 GLY 93 16.946 -18.132 -10.573 729 HA3 GLY 93 HA3 GLY 93 16.075 -17.285 -9.305 Start of MODEL 11 1 H MET 1 H MET 1 -22.000 24.687 35.556 2 HA MET 1 HA MET 1 -20.591 22.152 36.099 3 HB2 MET 1 HB2 MET 1 -20.878 22.716 38.484 4 HB3 MET 1 HB3 MET 1 -19.838 23.866 37.656 5 HG2 MET 1 HG2 MET 1 -21.732 25.425 37.503 6 HG3 MET 1 HG3 MET 1 -22.729 24.274 38.389 7 HE1 MET 1 HE1 MET 1 -23.329 26.203 40.123 8 HE2 MET 1 HE2 MET 1 -22.301 27.334 39.243 9 HE3 MET 1 HE3 MET 1 -22.118 27.150 40.986 10 H ALA 2 H ALA 2 -23.096 22.599 34.547 11 HA ALA 2 HA ALA 2 -25.348 22.216 36.156 12 HB1 ALA 2 HB1 ALA 2 -24.874 21.412 33.291 13 HB2 ALA 2 HB2 ALA 2 -25.414 22.998 33.839 14 HB3 ALA 2 HB3 ALA 2 -26.441 21.584 34.079 15 H ASP 3 H ASP 3 -26.702 20.236 36.204 16 HA ASP 3 HA ASP 3 -24.985 17.890 36.673 17 HB2 ASP 3 HB2 ASP 3 -26.378 18.981 38.564 18 HB3 ASP 3 HB3 ASP 3 -27.762 18.230 37.781 19 H GLU 4 H GLU 4 -26.071 18.631 34.106 20 HA GLU 4 HA GLU 4 -27.178 16.105 33.424 21 HB2 GLU 4 HB2 GLU 4 -29.276 16.802 32.383 22 HB3 GLU 4 HB3 GLU 4 -29.277 17.101 34.107 23 HG2 GLU 4 HG2 GLU 4 -28.768 19.214 32.026 24 HG3 GLU 4 HG3 GLU 4 -30.351 18.862 32.708 25 H LYS 5 H LYS 5 -25.407 15.923 32.205 26 HA LYS 5 HA LYS 5 -25.702 17.022 29.528 27 HB2 LYS 5 HB2 LYS 5 -23.168 17.128 31.176 28 HB3 LYS 5 HB3 LYS 5 -23.136 17.174 29.420 29 HG2 LYS 5 HG2 LYS 5 -24.510 19.176 31.211 30 HG3 LYS 5 HG3 LYS 5 -22.969 19.409 30.380 31 HD2 LYS 5 HD2 LYS 5 -24.138 19.101 28.213 32 HD3 LYS 5 HD3 LYS 5 -25.667 18.980 29.085 33 HE2 LYS 5 HE2 LYS 5 -23.817 21.366 29.031 34 HE3 LYS 5 HE3 LYS 5 -25.361 21.224 28.196 35 HZ1 LYS 5 HZ1 LYS 5 -24.938 21.262 31.133 36 HZ2 LYS 5 HZ2 LYS 5 -26.437 21.010 30.386 37 HZ3 LYS 5 HZ3 LYS 5 -25.638 22.483 30.197 38 HA PRO 6 HA PRO 6 -25.305 12.578 29.306 39 HB2 PRO 6 HB2 PRO 6 -26.409 12.273 26.890 40 HB3 PRO 6 HB3 PRO 6 -27.376 12.584 28.339 41 HG2 PRO 6 HG2 PRO 6 -26.538 14.484 26.185 42 HG3 PRO 6 HG3 PRO 6 -28.088 14.364 27.031 43 HD2 PRO 6 HD2 PRO 6 -26.147 16.205 27.644 44 HD3 PRO 6 HD3 PRO 6 -27.355 15.614 28.803 45 H LYS 7 H LYS 7 -23.555 11.551 28.792 46 HA LYS 7 HA LYS 7 -21.842 12.434 26.589 47 HB2 LYS 7 HB2 LYS 7 -21.416 10.567 28.920 48 HB3 LYS 7 HB3 LYS 7 -20.266 10.696 27.600 49 HG2 LYS 7 HG2 LYS 7 -19.452 12.088 29.315 50 HG3 LYS 7 HG3 LYS 7 -20.150 13.131 28.073 51 HD2 LYS 7 HD2 LYS 7 -20.747 13.910 30.319 52 HD3 LYS 7 HD3 LYS 7 -22.164 13.417 29.399 53 HE2 LYS 7 HE2 LYS 7 -22.360 12.618 31.666 54 HE3 LYS 7 HE3 LYS 7 -22.134 11.243 30.592 55 HZ1 LYS 7 HZ1 LYS 7 -19.808 11.170 31.234 56 HZ2 LYS 7 HZ2 LYS 7 -20.801 11.063 32.595 57 HZ3 LYS 7 HZ3 LYS 7 -20.018 12.516 32.235 58 H GLU 8 H GLU 8 -24.315 11.110 26.174 59 HA GLU 8 HA GLU 8 -23.793 8.364 25.492 60 HB2 GLU 8 HB2 GLU 8 -26.182 10.062 24.782 61 HB3 GLU 8 HB3 GLU 8 -26.080 8.311 24.665 62 HG2 GLU 8 HG2 GLU 8 -25.995 9.961 27.177 63 HG3 GLU 8 HG3 GLU 8 -27.314 8.925 26.633 64 H GLY 9 H GLY 9 -22.394 8.046 23.893 65 HA2 GLY 9 HA2 GLY 9 -22.632 7.856 21.387 66 HA3 GLY 9 HA3 GLY 9 -22.677 9.617 21.450 67 H VAL 10 H VAL 10 -20.833 10.473 20.934 68 HA VAL 10 HA VAL 10 -18.416 9.721 22.270 69 HB VAL 10 HB VAL 10 -18.462 8.064 20.446 70 HG11 VAL 10 HG11 VAL 10 -19.792 9.279 18.839 71 HG12 VAL 10 HG12 VAL 10 -18.274 8.748 18.112 72 HG13 VAL 10 HG13 VAL 10 -18.483 10.434 18.593 73 HG21 VAL 10 HG21 VAL 10 -16.248 8.526 19.492 74 HG22 VAL 10 HG22 VAL 10 -16.304 8.863 21.222 75 HG23 VAL 10 HG23 VAL 10 -16.357 10.192 20.064 76 H LYS 11 H LYS 11 -16.821 11.382 22.109 77 HA LYS 11 HA LYS 11 -17.939 13.900 21.328 78 HB2 LYS 11 HB2 LYS 11 -15.845 14.821 22.329 79 HB3 LYS 11 HB3 LYS 11 -16.839 13.894 23.435 80 HG2 LYS 11 HG2 LYS 11 -15.317 11.983 23.173 81 HG3 LYS 11 HG3 LYS 11 -14.324 12.938 22.072 82 HD2 LYS 11 HD2 LYS 11 -14.876 13.590 24.972 83 HD3 LYS 11 HD3 LYS 11 -13.375 12.918 24.333 84 HE2 LYS 11 HE2 LYS 11 -13.116 14.948 22.932 85 HE3 LYS 11 HE3 LYS 11 -14.566 15.613 23.678 86 HZ1 LYS 11 HZ1 LYS 11 -12.607 16.486 24.741 87 HZ2 LYS 11 HZ2 LYS 11 -12.032 14.938 25.064 88 HZ3 LYS 11 HZ3 LYS 11 -13.427 15.493 25.833 89 H THR 12 H THR 12 -14.930 12.138 20.513 90 HA THR 12 HA THR 12 -15.029 13.406 17.872 91 HB THR 12 HB THR 12 -12.478 13.166 19.458 92 HG1 THR 12 HG1 THR 12 -13.843 15.605 18.957 93 HG21 THR 12 HG21 THR 12 -11.600 14.689 17.753 94 HG22 THR 12 HG22 THR 12 -13.176 14.705 16.960 95 HG23 THR 12 HG23 THR 12 -12.238 13.214 17.023 96 H GLU 13 H GLU 13 -15.036 11.753 16.387 97 HA GLU 13 HA GLU 13 -13.696 9.273 17.066 98 HB2 GLU 13 HB2 GLU 13 -15.042 9.589 14.455 99 HB3 GLU 13 HB3 GLU 13 -15.132 8.268 15.605 100 HG2 GLU 13 HG2 GLU 13 -17.288 9.089 15.588 101 HG3 GLU 13 HG3 GLU 13 -16.580 9.879 16.998 102 H ASN 14 H ASN 14 -11.685 8.983 16.369 103 HA ASN 14 HA ASN 14 -9.997 10.482 15.018 104 HB2 ASN 14 HB2 ASN 14 -10.249 7.531 14.592 105 HB3 ASN 14 HB3 ASN 14 -8.862 8.488 14.100 106 HD21 ASN 14 HD21 ASN 14 -9.119 6.330 15.913 107 HD22 ASN 14 HD22 ASN 14 -8.482 6.839 17.440 108 H ASN 15 H ASN 15 -10.133 11.578 13.382 109 HA ASN 15 HA ASN 15 -10.843 10.437 10.784 110 HB2 ASN 15 HB2 ASN 15 -12.250 12.721 12.091 111 HB3 ASN 15 HB3 ASN 15 -11.963 12.826 10.357 112 HD21 ASN 15 HD21 ASN 15 -13.593 11.087 12.892 113 HD22 ASN 15 HD22 ASN 15 -14.694 10.226 11.874 114 H ASP 16 H ASP 16 -8.609 11.961 12.609 115 HA ASP 16 HA ASP 16 -7.465 13.997 11.201 116 HB2 ASP 16 HB2 ASP 16 -6.630 13.231 13.337 117 HB3 ASP 16 HB3 ASP 16 -6.244 11.657 12.639 118 H HIS 17 H HIS 17 -7.354 10.569 10.615 119 HA HIS 17 HA HIS 17 -6.287 11.014 7.983 120 HB2 HIS 17 HB2 HIS 17 -4.691 9.072 8.311 121 HB3 HIS 17 HB3 HIS 17 -4.229 10.578 9.095 122 HD1 HIS 17 HD1 HIS 17 -4.291 10.621 11.695 123 HD2 HIS 17 HD2 HIS 17 -5.166 6.922 9.995 124 HE1 HIS 17 HE1 HIS 17 -4.165 8.938 13.577 125 HE2 HIS 17 HE2 HIS 17 -4.372 6.731 12.444 126 H ILE 18 H ILE 18 -6.432 8.858 6.772 127 HA ILE 18 HA ILE 18 -9.042 7.805 7.538 128 HB ILE 18 HB ILE 18 -9.437 7.279 5.220 129 HG12 ILE 18 HG12 ILE 18 -6.776 8.595 4.604 130 HG13 ILE 18 HG13 ILE 18 -7.050 6.853 4.588 131 HG21 ILE 18 HG21 ILE 18 -9.499 9.602 4.327 132 HG22 ILE 18 HG22 ILE 18 -8.513 10.106 5.702 133 HG23 ILE 18 HG23 ILE 18 -10.125 9.448 5.968 134 HD11 ILE 18 HD11 ILE 18 -8.403 8.878 2.823 135 HD12 ILE 18 HD12 ILE 18 -8.684 7.137 2.798 136 HD13 ILE 18 HD13 ILE 18 -7.104 7.784 2.349 137 H ASN 19 H ASN 19 -9.500 5.634 6.645 138 HA ASN 19 HA ASN 19 -7.307 3.841 7.378 139 HB2 ASN 19 HB2 ASN 19 -10.246 3.187 7.064 140 HB3 ASN 19 HB3 ASN 19 -9.009 2.184 7.813 141 HD21 ASN 19 HD21 ASN 19 -11.086 4.932 8.182 142 HD22 ASN 19 HD22 ASN 19 -10.835 5.152 9.871 143 H LEU 20 H LEU 20 -6.682 2.232 5.981 144 HA LEU 20 HA LEU 20 -8.024 2.120 3.375 145 HB2 LEU 20 HB2 LEU 20 -5.211 2.766 3.938 146 HB3 LEU 20 HB3 LEU 20 -5.444 1.536 2.710 147 HG LEU 20 HG LEU 20 -5.250 3.582 1.560 148 HD11 LEU 20 HD11 LEU 20 -8.212 3.089 1.755 149 HD12 LEU 20 HD12 LEU 20 -7.090 2.111 0.814 150 HD13 LEU 20 HD13 LEU 20 -7.329 3.810 0.412 151 HD21 LEU 20 HD21 LEU 20 -5.570 5.108 3.402 152 HD22 LEU 20 HD22 LEU 20 -7.287 4.712 3.463 153 HD23 LEU 20 HD23 LEU 20 -6.623 5.549 2.060 154 H LYS 21 H LYS 21 -7.569 0.166 2.189 155 HA LYS 21 HA LYS 21 -6.752 -2.091 3.864 156 HB2 LYS 21 HB2 LYS 21 -9.217 -1.888 2.166 157 HB3 LYS 21 HB3 LYS 21 -8.622 -3.392 2.853 158 HG2 LYS 21 HG2 LYS 21 -9.046 -2.671 5.039 159 HG3 LYS 21 HG3 LYS 21 -9.317 -1.008 4.519 160 HD2 LYS 21 HD2 LYS 21 -11.440 -2.081 5.011 161 HD3 LYS 21 HD3 LYS 21 -11.316 -1.739 3.287 162 HE2 LYS 21 HE2 LYS 21 -10.692 -4.059 2.867 163 HE3 LYS 21 HE3 LYS 21 -10.789 -4.404 4.597 164 HZ1 LYS 21 HZ1 LYS 21 -13.154 -3.831 4.513 165 HZ2 LYS 21 HZ2 LYS 21 -12.799 -5.098 3.461 166 HZ3 LYS 21 HZ3 LYS 21 -13.039 -3.540 2.852 167 H VAL 22 H VAL 22 -5.866 -3.782 2.722 168 HA VAL 22 HA VAL 22 -5.460 -3.292 -0.142 169 HB VAL 22 HB VAL 22 -3.326 -4.210 1.801 170 HG11 VAL 22 HG11 VAL 22 -1.872 -4.379 -0.133 171 HG12 VAL 22 HG12 VAL 22 -3.224 -3.973 -1.192 172 HG13 VAL 22 HG13 VAL 22 -3.243 -5.480 -0.273 173 HG21 VAL 22 HG21 VAL 22 -3.359 -1.838 -0.059 174 HG22 VAL 22 HG22 VAL 22 -2.155 -2.215 1.176 175 HG23 VAL 22 HG23 VAL 22 -3.790 -1.752 1.643 176 H ALA 23 H ALA 23 -6.380 -4.816 -1.191 177 HA ALA 23 HA ALA 23 -6.717 -7.449 -0.003 178 HB1 ALA 23 HB1 ALA 23 -7.767 -6.375 -2.612 179 HB2 ALA 23 HB2 ALA 23 -8.652 -6.394 -1.084 180 HB3 ALA 23 HB3 ALA 23 -8.194 -7.912 -1.864 181 H GLY 24 H GLY 24 -5.474 -9.063 -0.479 182 HA2 GLY 24 HA2 GLY 24 -3.354 -8.620 -2.422 183 HA3 GLY 24 HA3 GLY 24 -3.377 -9.864 -1.180 184 H GLN 25 H GLN 25 -2.729 -10.446 -3.757 185 HA GLN 25 HA GLN 25 -4.922 -11.416 -5.282 186 HB2 GLN 25 HB2 GLN 25 -3.070 -12.840 -6.398 187 HB3 GLN 25 HB3 GLN 25 -3.034 -11.092 -6.564 188 HG2 GLN 25 HG2 GLN 25 -0.822 -12.221 -6.117 189 HG3 GLN 25 HG3 GLN 25 -1.237 -10.873 -5.069 190 HE21 GLN 25 HE21 GLN 25 -1.036 -14.357 -5.265 191 HE22 GLN 25 HE22 GLN 25 -0.874 -14.638 -3.572 192 H ASP 26 H ASP 26 -3.524 -12.511 -2.473 193 HA ASP 26 HA ASP 26 -4.052 -15.317 -2.811 194 HB2 ASP 26 HB2 ASP 26 -2.252 -14.297 -1.337 195 HB3 ASP 26 HB3 ASP 26 -3.541 -13.825 -0.237 196 H GLY 27 H GLY 27 -5.826 -12.572 -2.116 197 HA2 GLY 27 HA2 GLY 27 -8.220 -12.574 -2.003 198 HA3 GLY 27 HA3 GLY 27 -8.155 -14.209 -1.369 199 H SER 28 H SER 28 -5.919 -12.243 0.131 200 HA SER 28 HA SER 28 -7.637 -12.001 2.487 201 HB2 SER 28 HB2 SER 28 -5.589 -13.306 2.817 202 HB3 SER 28 HB3 SER 28 -4.622 -11.951 2.238 203 HG SER 28 HG SER 28 -4.594 -11.324 4.222 204 H VAL 29 H VAL 29 -7.496 -10.070 3.715 205 HA VAL 29 HA VAL 29 -6.444 -7.796 2.224 206 HB VAL 29 HB VAL 29 -8.867 -8.043 1.686 207 HG11 VAL 29 HG11 VAL 29 -10.514 -7.365 3.402 208 HG12 VAL 29 HG12 VAL 29 -9.214 -7.383 4.600 209 HG13 VAL 29 HG13 VAL 29 -9.691 -8.880 3.792 210 HG21 VAL 29 HG21 VAL 29 -9.442 -5.680 2.008 211 HG22 VAL 29 HG22 VAL 29 -7.767 -5.873 1.488 212 HG23 VAL 29 HG23 VAL 29 -8.133 -5.521 3.178 213 H VAL 30 H VAL 30 -5.418 -6.375 3.441 214 HA VAL 30 HA VAL 30 -5.588 -6.657 6.347 215 HB VAL 30 HB VAL 30 -3.485 -5.314 4.624 216 HG11 VAL 30 HG11 VAL 30 -3.502 -5.746 7.611 217 HG12 VAL 30 HG12 VAL 30 -3.716 -4.198 6.795 218 HG13 VAL 30 HG13 VAL 30 -2.180 -5.060 6.663 219 HG21 VAL 30 HG21 VAL 30 -2.044 -7.154 5.383 220 HG22 VAL 30 HG22 VAL 30 -3.431 -7.728 4.453 221 HG23 VAL 30 HG23 VAL 30 -3.425 -7.872 6.212 222 H GLN 31 H GLN 31 -6.269 -5.010 7.639 223 HA GLN 31 HA GLN 31 -7.175 -2.556 6.312 224 HB2 GLN 31 HB2 GLN 31 -8.037 -3.514 9.009 225 HB3 GLN 31 HB3 GLN 31 -8.861 -2.403 7.925 226 HG2 GLN 31 HG2 GLN 31 -9.212 -4.277 6.345 227 HG3 GLN 31 HG3 GLN 31 -8.517 -5.362 7.540 228 HE21 GLN 31 HE21 GLN 31 -11.220 -3.385 6.713 229 HE22 GLN 31 HE22 GLN 31 -12.287 -4.029 7.899 230 H PHE 32 H PHE 32 -6.267 -0.703 6.906 231 HA PHE 32 HA PHE 32 -4.774 -0.447 9.390 232 HB2 PHE 32 HB2 PHE 32 -2.710 0.282 8.194 233 HB3 PHE 32 HB3 PHE 32 -3.058 -1.441 8.045 234 HD1 PHE 32 HD1 PHE 32 -4.356 -2.153 5.914 235 HD2 PHE 32 HD2 PHE 32 -2.268 1.532 6.291 236 HE1 PHE 32 HE1 PHE 32 -4.305 -1.944 3.480 237 HE2 PHE 32 HE2 PHE 32 -2.206 1.750 3.872 238 HZ PHE 32 HZ PHE 32 -3.218 0.017 2.447 239 H LYS 33 H LYS 33 -3.694 1.744 9.479 240 HA LYS 33 HA LYS 33 -5.548 3.719 8.309 241 HB2 LYS 33 HB2 LYS 33 -4.083 4.050 10.919 242 HB3 LYS 33 HB3 LYS 33 -5.418 5.015 10.302 243 HG2 LYS 33 HG2 LYS 33 -6.846 2.968 10.452 244 HG3 LYS 33 HG3 LYS 33 -5.504 2.183 11.267 245 HD2 LYS 33 HD2 LYS 33 -6.840 4.708 12.231 246 HD3 LYS 33 HD3 LYS 33 -7.171 3.090 12.853 247 HE2 LYS 33 HE2 LYS 33 -4.514 4.514 12.927 248 HE3 LYS 33 HE3 LYS 33 -5.608 4.306 14.289 249 HZ1 LYS 33 HZ1 LYS 33 -4.293 2.083 12.806 250 HZ2 LYS 33 HZ2 LYS 33 -5.307 1.910 14.143 251 HZ3 LYS 33 HZ3 LYS 33 -3.808 2.671 14.311 252 H ILE 34 H ILE 34 -4.717 5.515 7.325 253 HA ILE 34 HA ILE 34 -1.875 6.099 7.599 254 HB ILE 34 HB ILE 34 -1.948 4.526 5.718 255 HG12 ILE 34 HG12 ILE 34 -1.503 7.350 4.724 256 HG13 ILE 34 HG13 ILE 34 -0.342 6.426 5.667 257 HG21 ILE 34 HG21 ILE 34 -3.148 5.058 3.655 258 HG22 ILE 34 HG22 ILE 34 -3.861 6.468 4.441 259 HG23 ILE 34 HG23 ILE 34 -4.243 4.847 5.023 260 HD11 ILE 34 HD11 ILE 34 0.192 6.426 3.284 261 HD12 ILE 34 HD12 ILE 34 -1.366 5.672 2.936 262 HD13 ILE 34 HD13 ILE 34 -0.153 4.803 3.877 263 H LYS 35 H LYS 35 -1.320 8.248 6.981 264 HA LYS 35 HA LYS 35 -3.550 10.078 7.166 265 HB2 LYS 35 HB2 LYS 35 -0.659 10.832 6.853 266 HB3 LYS 35 HB3 LYS 35 -1.959 11.789 7.547 267 HG2 LYS 35 HG2 LYS 35 -2.074 9.858 9.284 268 HG3 LYS 35 HG3 LYS 35 -0.441 9.523 8.715 269 HD2 LYS 35 HD2 LYS 35 -1.372 12.183 9.800 270 HD3 LYS 35 HD3 LYS 35 -0.423 10.995 10.690 271 HE2 LYS 35 HE2 LYS 35 1.411 11.232 9.151 272 HE3 LYS 35 HE3 LYS 35 0.457 12.285 8.111 273 HZ1 LYS 35 HZ1 LYS 35 1.986 13.538 9.492 274 HZ2 LYS 35 HZ2 LYS 35 1.297 12.900 10.890 275 HZ3 LYS 35 HZ3 LYS 35 0.386 13.915 9.886 276 H ARG 36 H ARG 36 -3.692 11.931 5.737 277 HA ARG 36 HA ARG 36 -3.866 11.032 3.047 278 HB2 ARG 36 HB2 ARG 36 -4.122 13.882 4.002 279 HB3 ARG 36 HB3 ARG 36 -4.795 13.187 2.541 280 HG2 ARG 36 HG2 ARG 36 -5.663 12.780 5.373 281 HG3 ARG 36 HG3 ARG 36 -6.596 13.415 4.017 282 HD2 ARG 36 HD2 ARG 36 -5.722 10.576 4.515 283 HD3 ARG 36 HD3 ARG 36 -7.366 11.196 4.434 284 HE ARG 36 HE ARG 36 -5.602 10.574 2.205 285 HH11 ARG 36 HH11 ARG 36 -8.640 11.999 3.228 286 HH12 ARG 36 HH12 ARG 36 -9.390 11.818 1.679 287 HH21 ARG 36 HH21 ARG 36 -6.628 10.323 0.137 288 HH22 ARG 36 HH22 ARG 36 -8.263 10.859 -0.051 289 H HIS 37 H HIS 37 -1.623 13.051 4.837 290 HA HIS 37 HA HIS 37 -0.173 13.715 2.388 291 HB2 HIS 37 HB2 HIS 37 0.181 14.622 5.242 292 HB3 HIS 37 HB3 HIS 37 1.208 15.138 3.909 293 HD1 HIS 37 HD1 HIS 37 -0.178 16.428 1.910 294 HD2 HIS 37 HD2 HIS 37 -1.978 16.206 5.649 295 HE1 HIS 37 HE1 HIS 37 -1.944 18.205 1.912 296 HE2 HIS 37 HE2 HIS 37 -2.858 18.196 4.257 297 H THR 38 H THR 38 -0.296 11.125 4.202 298 HA THR 38 HA THR 38 2.548 10.766 4.631 299 HB THR 38 HB THR 38 0.117 9.153 5.443 300 HG1 THR 38 HG1 THR 38 2.064 10.731 6.692 301 HG21 THR 38 HG21 THR 38 1.635 7.522 6.469 302 HG22 THR 38 HG22 THR 38 3.023 8.366 5.778 303 HG23 THR 38 HG23 THR 38 1.863 7.566 4.717 304 HA PRO 39 HA PRO 39 3.052 8.866 0.680 305 HB2 PRO 39 HB2 PRO 39 5.358 7.499 1.231 306 HB3 PRO 39 HB3 PRO 39 5.307 9.228 0.864 307 HG2 PRO 39 HG2 PRO 39 5.433 7.850 3.519 308 HG3 PRO 39 HG3 PRO 39 6.326 9.274 2.958 309 HD2 PRO 39 HD2 PRO 39 4.192 9.502 4.554 310 HD3 PRO 39 HD3 PRO 39 4.510 10.686 3.272 311 H LEU 40 H LEU 40 2.657 6.931 -0.300 312 HA LEU 40 HA LEU 40 1.341 4.908 1.133 313 HB2 LEU 40 HB2 LEU 40 2.472 4.960 -1.658 314 HB3 LEU 40 HB3 LEU 40 1.499 3.646 -1.033 315 HG LEU 40 HG LEU 40 0.514 6.476 -1.163 316 HD11 LEU 40 HD11 LEU 40 -0.667 5.843 -3.206 317 HD12 LEU 40 HD12 LEU 40 0.145 4.277 -3.185 318 HD13 LEU 40 HD13 LEU 40 1.081 5.755 -3.417 319 HD21 LEU 40 HD21 LEU 40 -0.648 4.959 0.371 320 HD22 LEU 40 HD22 LEU 40 -0.949 3.865 -0.987 321 HD23 LEU 40 HD23 LEU 40 -1.667 5.475 -0.974 322 H SER 41 H SER 41 4.656 5.485 0.736 323 HA SER 41 HA SER 41 5.835 3.021 0.509 324 HB2 SER 41 HB2 SER 41 7.679 4.018 1.944 325 HB3 SER 41 HB3 SER 41 7.203 4.974 0.539 326 HG SER 41 HG SER 41 7.387 6.233 2.450 327 HH31 ALY 42 HH31 ALY 42 0.946 0.336 9.056 328 HH32 ALY 42 HH32 ALY 42 -0.799 0.660 9.156 329 HH33 ALY 42 HH33 ALY 42 0.187 0.539 10.628 330 HZ ALY 42 HZ ALY 42 -0.279 2.730 7.715 331 HE3 ALY 42 HE3 ALY 42 1.628 4.599 8.291 332 HE2 ALY 42 HE2 ALY 42 2.525 3.104 8.025 333 HD3 ALY 42 HD3 ALY 42 1.467 2.884 5.808 334 HD2 ALY 42 HD2 ALY 42 0.605 4.398 6.083 335 HG3 ALY 42 HG3 ALY 42 2.556 4.774 4.674 336 HG2 ALY 42 HG2 ALY 42 2.767 5.579 6.222 337 HB3 ALY 42 HB3 ALY 42 4.820 4.608 5.965 338 HB2 ALY 42 HB2 ALY 42 3.989 3.353 6.855 339 HCA ALY 42 HCA ALY 42 5.235 2.293 5.110 340 H ALY 42 H ALY 42 4.478 4.488 3.454 341 H LEU 43 H LEU 43 2.435 3.131 3.217 342 HA LEU 43 HA LEU 43 0.654 1.171 4.167 343 HB2 LEU 43 HB2 LEU 43 -0.242 2.958 2.878 344 HB3 LEU 43 HB3 LEU 43 0.868 2.669 1.559 345 HG LEU 43 HG LEU 43 -1.170 0.569 2.221 346 HD11 LEU 43 HD11 LEU 43 -1.674 3.068 0.625 347 HD12 LEU 43 HD12 LEU 43 -2.475 2.615 2.129 348 HD13 LEU 43 HD13 LEU 43 -2.725 1.660 0.662 349 HD21 LEU 43 HD21 LEU 43 -1.052 0.217 -0.213 350 HD22 LEU 43 HD22 LEU 43 0.538 0.095 0.544 351 HD23 LEU 43 HD23 LEU 43 0.085 1.567 -0.339 352 H MET 44 H MET 44 2.831 1.136 1.329 353 HA MET 44 HA MET 44 2.283 -1.508 0.568 354 HB2 MET 44 HB2 MET 44 4.660 0.274 0.097 355 HB3 MET 44 HB3 MET 44 4.667 -1.396 -0.443 356 HG2 MET 44 HG2 MET 44 3.965 -0.305 -2.331 357 HG3 MET 44 HG3 MET 44 2.429 -0.755 -1.589 358 HE1 MET 44 HE1 MET 44 2.797 1.451 -3.867 359 HE2 MET 44 HE2 MET 44 1.701 2.697 -3.276 360 HE3 MET 44 HE3 MET 44 1.235 0.998 -3.186 361 H LYS 45 H LYS 45 4.617 -0.176 2.832 362 HA LYS 45 HA LYS 45 5.910 -2.642 3.300 363 HB2 LYS 45 HB2 LYS 45 7.013 -0.513 3.816 364 HB3 LYS 45 HB3 LYS 45 5.800 -0.163 5.037 365 HG2 LYS 45 HG2 LYS 45 7.913 -0.938 6.011 366 HG3 LYS 45 HG3 LYS 45 6.575 -2.024 6.393 367 HD2 LYS 45 HD2 LYS 45 8.371 -3.433 5.828 368 HD3 LYS 45 HD3 LYS 45 7.361 -3.401 4.386 369 HE2 LYS 45 HE2 LYS 45 9.626 -3.188 3.677 370 HE3 LYS 45 HE3 LYS 45 8.865 -1.610 3.483 371 HZ1 LYS 45 HZ1 LYS 45 10.603 -2.418 5.754 372 HZ2 LYS 45 HZ2 LYS 45 9.891 -0.901 5.557 373 HZ3 LYS 45 HZ3 LYS 45 11.063 -1.431 4.464 374 H ALA 46 H ALA 46 3.258 -0.955 4.921 375 HA ALA 46 HA ALA 46 2.949 -2.604 7.147 376 HB1 ALA 46 HB1 ALA 46 0.644 -1.835 7.244 377 HB2 ALA 46 HB2 ALA 46 0.741 -1.278 5.574 378 HB3 ALA 46 HB3 ALA 46 1.714 -0.496 6.821 379 H TYR 47 H TYR 47 1.378 -2.894 3.966 380 HA TYR 47 HA TYR 47 0.089 -5.327 4.538 381 HB2 TYR 47 HB2 TYR 47 -0.732 -4.067 2.708 382 HB3 TYR 47 HB3 TYR 47 0.847 -4.023 1.929 383 HD1 TYR 47 HD1 TYR 47 -2.065 -6.140 2.703 384 HD2 TYR 47 HD2 TYR 47 1.612 -5.858 0.598 385 HE1 TYR 47 HE1 TYR 47 -2.649 -8.163 1.436 386 HE2 TYR 47 HE2 TYR 47 1.045 -7.873 -0.685 387 HH TYR 47 HH TYR 47 -0.385 -9.851 -0.479 388 H CYS 48 H CYS 48 3.246 -4.581 3.151 389 HA CYS 48 HA CYS 48 3.938 -7.199 2.363 390 HB2 CYS 48 HB2 CYS 48 5.329 -5.714 1.351 391 HB3 CYS 48 HB3 CYS 48 5.329 -4.602 2.716 392 HG CYS 48 HG CYS 48 7.083 -7.524 2.760 393 H GLU 49 H GLU 49 4.276 -5.477 5.388 394 HA GLU 49 HA GLU 49 5.945 -7.407 6.669 395 HB2 GLU 49 HB2 GLU 49 4.132 -5.300 7.844 396 HB3 GLU 49 HB3 GLU 49 5.349 -6.205 8.736 397 HG2 GLU 49 HG2 GLU 49 6.087 -4.600 6.336 398 HG3 GLU 49 HG3 GLU 49 5.892 -3.833 7.900 399 H ARG 50 H ARG 50 2.485 -6.913 6.424 400 HA ARG 50 HA ARG 50 1.738 -8.797 8.418 401 HB2 ARG 50 HB2 ARG 50 0.196 -7.690 6.078 402 HB3 ARG 50 HB3 ARG 50 -0.508 -8.682 7.348 403 HG2 ARG 50 HG2 ARG 50 0.800 -6.007 7.728 404 HG3 ARG 50 HG3 ARG 50 -0.938 -6.321 7.707 405 HD2 ARG 50 HD2 ARG 50 1.043 -7.461 9.676 406 HD3 ARG 50 HD3 ARG 50 -0.079 -6.143 9.986 407 HE ARG 50 HE ARG 50 -1.800 -7.996 9.295 408 HH11 ARG 50 HH11 ARG 50 1.020 -8.332 11.375 409 HH12 ARG 50 HH12 ARG 50 0.342 -9.652 12.269 410 HH21 ARG 50 HH21 ARG 50 -2.676 -9.742 10.482 411 HH22 ARG 50 HH22 ARG 50 -1.751 -10.454 11.765 412 H GLN 51 H GLN 51 1.980 -8.992 4.917 413 HA GLN 51 HA GLN 51 1.286 -11.795 4.966 414 HB2 GLN 51 HB2 GLN 51 1.695 -9.760 2.875 415 HB3 GLN 51 HB3 GLN 51 2.158 -11.393 2.427 416 HG2 GLN 51 HG2 GLN 51 -0.123 -10.955 1.758 417 HG3 GLN 51 HG3 GLN 51 -0.078 -12.196 3.003 418 HE21 GLN 51 HE21 GLN 51 0.232 -8.722 3.589 419 HE22 GLN 51 HE22 GLN 51 -1.259 -8.572 4.441 420 H GLY 52 H GLY 52 4.187 -9.941 5.101 421 HA2 GLY 52 HA2 GLY 52 6.297 -10.725 5.664 422 HA3 GLY 52 HA3 GLY 52 5.723 -12.369 5.442 423 H LEU 53 H LEU 53 4.894 -10.582 2.788 424 HA LEU 53 HA LEU 53 6.961 -11.832 1.204 425 HB2 LEU 53 HB2 LEU 53 5.601 -10.903 -0.723 426 HB3 LEU 53 HB3 LEU 53 4.832 -12.112 0.277 427 HG LEU 53 HG LEU 53 3.677 -10.181 1.482 428 HD11 LEU 53 HD11 LEU 53 4.613 -8.674 -0.940 429 HD12 LEU 53 HD12 LEU 53 5.137 -8.398 0.722 430 HD13 LEU 53 HD13 LEU 53 3.458 -8.100 0.266 431 HD21 LEU 53 HD21 LEU 53 2.530 -11.647 -0.089 432 HD22 LEU 53 HD22 LEU 53 3.072 -10.643 -1.434 433 HD23 LEU 53 HD23 LEU 53 1.956 -9.986 -0.236 434 H SER 54 H SER 54 7.605 -10.364 -0.818 435 HA SER 54 HA SER 54 8.952 -8.038 0.337 436 HB2 SER 54 HB2 SER 54 9.412 -9.570 -2.225 437 HB3 SER 54 HB3 SER 54 10.357 -8.171 -1.726 438 HG SER 54 HG SER 54 10.430 -9.742 0.333 439 H MET 55 H MET 55 8.256 -6.057 -0.097 440 HA MET 55 HA MET 55 5.962 -5.470 -1.574 441 HB2 MET 55 HB2 MET 55 6.796 -3.055 -1.438 442 HB3 MET 55 HB3 MET 55 6.528 -3.904 0.076 443 HG2 MET 55 HG2 MET 55 8.775 -4.053 0.551 444 HG3 MET 55 HG3 MET 55 9.254 -3.887 -1.139 445 HE1 MET 55 HE1 MET 55 6.581 -1.553 0.542 446 HE2 MET 55 HE2 MET 55 7.603 -0.342 1.314 447 HE3 MET 55 HE3 MET 55 7.608 -2.005 1.899 448 H ARG 56 H ARG 56 9.261 -5.666 -2.638 449 HA ARG 56 HA ARG 56 8.840 -4.213 -5.082 450 HB2 ARG 56 HB2 ARG 56 11.104 -4.877 -5.641 451 HB3 ARG 56 HB3 ARG 56 11.015 -4.293 -3.987 452 HG2 ARG 56 HG2 ARG 56 10.956 -6.629 -3.198 453 HG3 ARG 56 HG3 ARG 56 11.198 -7.156 -4.867 454 HD2 ARG 56 HD2 ARG 56 13.305 -7.117 -3.671 455 HD3 ARG 56 HD3 ARG 56 13.290 -5.906 -4.950 456 HE ARG 56 HE ARG 56 12.592 -4.363 -2.982 457 HH11 ARG 56 HH11 ARG 56 14.947 -6.969 -2.875 458 HH12 ARG 56 HH12 ARG 56 15.865 -6.247 -1.598 459 HH21 ARG 56 HH21 ARG 56 13.806 -3.414 -1.300 460 HH22 ARG 56 HH22 ARG 56 15.216 -4.221 -0.700 461 H GLN 57 H GLN 57 7.985 -7.283 -4.075 462 HA GLN 57 HA GLN 57 8.201 -8.448 -6.769 463 HB2 GLN 57 HB2 GLN 57 7.498 -9.778 -4.155 464 HB3 GLN 57 HB3 GLN 57 7.783 -10.587 -5.690 465 HG2 GLN 57 HG2 GLN 57 9.839 -8.923 -4.276 466 HG3 GLN 57 HG3 GLN 57 9.674 -10.666 -4.069 467 HE21 GLN 57 HE21 GLN 57 10.496 -8.100 -6.281 468 HE22 GLN 57 HE22 GLN 57 11.348 -9.084 -7.411 469 H ILE 58 H ILE 58 6.120 -6.632 -5.138 470 HA ILE 58 HA ILE 58 3.806 -7.889 -6.403 471 HB ILE 58 HB ILE 58 2.411 -7.060 -4.498 472 HG12 ILE 58 HG12 ILE 58 5.026 -6.840 -3.028 473 HG13 ILE 58 HG13 ILE 58 4.194 -5.451 -3.714 474 HG21 ILE 58 HG21 ILE 58 4.525 -9.052 -3.718 475 HG22 ILE 58 HG22 ILE 58 3.124 -9.402 -4.726 476 HG23 ILE 58 HG23 ILE 58 2.900 -8.918 -3.042 477 HD11 ILE 58 HD11 ILE 58 2.273 -5.884 -2.287 478 HD12 ILE 58 HD12 ILE 58 3.742 -5.703 -1.328 479 HD13 ILE 58 HD13 ILE 58 3.077 -7.307 -1.632 480 H ARG 59 H ARG 59 1.986 -6.266 -6.468 481 HA ARG 59 HA ARG 59 2.946 -3.543 -6.745 482 HB2 ARG 59 HB2 ARG 59 1.740 -5.143 -8.976 483 HB3 ARG 59 HB3 ARG 59 1.674 -3.388 -8.957 484 HG2 ARG 59 HG2 ARG 59 4.188 -5.042 -8.876 485 HG3 ARG 59 HG3 ARG 59 3.539 -4.228 -10.299 486 HD2 ARG 59 HD2 ARG 59 4.272 -2.787 -7.756 487 HD3 ARG 59 HD3 ARG 59 5.381 -3.008 -9.087 488 HE ARG 59 HE ARG 59 2.931 -1.843 -9.938 489 HH11 ARG 59 HH11 ARG 59 5.998 -1.133 -8.394 490 HH12 ARG 59 HH12 ARG 59 6.026 0.519 -8.908 491 HH21 ARG 59 HH21 ARG 59 2.970 0.349 -10.626 492 HH22 ARG 59 HH22 ARG 59 4.297 1.366 -10.174 493 H PHE 60 H PHE 60 1.438 -1.970 -6.636 494 HA PHE 60 HA PHE 60 -1.156 -2.848 -5.546 495 HB2 PHE 60 HB2 PHE 60 0.498 -0.388 -4.890 496 HB3 PHE 60 HB3 PHE 60 -1.151 -0.629 -4.349 497 HD1 PHE 60 HD1 PHE 60 2.106 -2.469 -4.316 498 HD2 PHE 60 HD2 PHE 60 -1.450 -1.417 -2.238 499 HE1 PHE 60 HE1 PHE 60 2.932 -3.644 -2.314 500 HE2 PHE 60 HE2 PHE 60 -0.625 -2.590 -0.234 501 HZ PHE 60 HZ PHE 60 1.563 -3.702 -0.276 502 H ARG 61 H ARG 61 -2.914 -2.226 -6.606 503 HA ARG 61 HA ARG 61 -2.725 0.164 -8.300 504 HB2 ARG 61 HB2 ARG 61 -3.879 -0.881 -10.145 505 HB3 ARG 61 HB3 ARG 61 -2.484 -1.848 -9.707 506 HG2 ARG 61 HG2 ARG 61 -3.916 -3.549 -9.880 507 HG3 ARG 61 HG3 ARG 61 -4.329 -3.054 -8.246 508 HD2 ARG 61 HD2 ARG 61 -6.211 -1.776 -9.068 509 HD3 ARG 61 HD3 ARG 61 -5.748 -2.118 -10.736 510 HE ARG 61 HE ARG 61 -6.134 -4.524 -9.284 511 HH11 ARG 61 HH11 ARG 61 -7.899 -1.954 -10.897 512 HH12 ARG 61 HH12 ARG 61 -9.320 -2.901 -11.130 513 HH21 ARG 61 HH21 ARG 61 -8.021 -5.781 -9.608 514 HH22 ARG 61 HH22 ARG 61 -9.391 -5.083 -10.394 515 H PHE 62 H PHE 62 -4.390 1.501 -8.317 516 HA PHE 62 HA PHE 62 -6.867 0.734 -6.951 517 HB2 PHE 62 HB2 PHE 62 -5.485 1.887 -5.295 518 HB3 PHE 62 HB3 PHE 62 -5.198 3.203 -6.420 519 HD1 PHE 62 HD1 PHE 62 -7.763 1.555 -4.349 520 HD2 PHE 62 HD2 PHE 62 -6.741 4.972 -6.665 521 HE1 PHE 62 HE1 PHE 62 -9.726 2.739 -3.467 522 HE2 PHE 62 HE2 PHE 62 -8.704 6.168 -5.783 523 HZ PHE 62 HZ PHE 62 -10.205 5.051 -4.173 524 H ASP 63 H ASP 63 -8.661 1.582 -7.943 525 HA ASP 63 HA ASP 63 -9.968 2.666 -9.501 526 HB2 ASP 63 HB2 ASP 63 -8.716 4.644 -8.368 527 HB3 ASP 63 HB3 ASP 63 -7.818 4.714 -9.857 528 H GLY 64 H GLY 64 -8.022 0.677 -10.409 529 HA2 GLY 64 HA2 GLY 64 -7.423 -0.143 -12.460 530 HA3 GLY 64 HA3 GLY 64 -8.126 1.312 -13.158 531 H GLN 65 H GLN 65 -5.982 2.428 -10.910 532 HA GLN 65 HA GLN 65 -3.813 2.432 -12.888 533 HB2 GLN 65 HB2 GLN 65 -3.265 4.745 -12.103 534 HB3 GLN 65 HB3 GLN 65 -4.781 4.608 -12.980 535 HG2 GLN 65 HG2 GLN 65 -5.977 4.586 -10.830 536 HG3 GLN 65 HG3 GLN 65 -4.452 4.848 -9.992 537 HE21 GLN 65 HE21 GLN 65 -6.856 6.190 -12.040 538 HE22 GLN 65 HE22 GLN 65 -6.376 7.846 -11.890 539 HA PRO 66 HA PRO 66 -1.346 0.915 -9.583 540 HB2 PRO 66 HB2 PRO 66 1.095 1.346 -10.649 541 HB3 PRO 66 HB3 PRO 66 0.010 0.092 -11.257 542 HG2 PRO 66 HG2 PRO 66 0.525 2.828 -12.347 543 HG3 PRO 66 HG3 PRO 66 0.376 1.289 -13.214 544 HD2 PRO 66 HD2 PRO 66 -1.661 3.098 -13.033 545 HD3 PRO 66 HD3 PRO 66 -1.919 1.344 -13.172 546 H ILE 67 H ILE 67 -0.051 1.657 -7.898 547 HA ILE 67 HA ILE 67 0.599 4.516 -7.908 548 HB ILE 67 HB ILE 67 0.005 4.637 -5.463 549 HG12 ILE 67 HG12 ILE 67 -0.273 2.057 -5.296 550 HG13 ILE 67 HG13 ILE 67 -1.383 3.082 -4.398 551 HG21 ILE 67 HG21 ILE 67 -2.212 4.336 -7.466 552 HG22 ILE 67 HG22 ILE 67 -1.307 5.800 -7.065 553 HG23 ILE 67 HG23 ILE 67 -2.386 5.076 -5.874 554 HD11 ILE 67 HD11 ILE 67 -2.532 1.218 -5.450 555 HD12 ILE 67 HD12 ILE 67 -1.954 1.742 -7.032 556 HD13 ILE 67 HD13 ILE 67 -3.078 2.752 -6.125 557 H ASN 68 H ASN 68 2.440 5.070 -7.065 558 HA ASN 68 HA ASN 68 4.206 2.926 -6.188 559 HB2 ASN 68 HB2 ASN 68 5.839 5.059 -6.348 560 HB3 ASN 68 HB3 ASN 68 5.451 4.055 -7.737 561 HD21 ASN 68 HD21 ASN 68 4.795 7.052 -6.110 562 HD22 ASN 68 HD22 ASN 68 4.030 7.843 -7.439 563 H GLU 69 H GLU 69 5.548 3.197 -4.372 564 HA GLU 69 HA GLU 69 4.249 3.965 -2.035 565 HB2 GLU 69 HB2 GLU 69 6.667 3.798 -1.093 566 HB3 GLU 69 HB3 GLU 69 5.882 2.359 -1.735 567 HG2 GLU 69 HG2 GLU 69 7.111 2.463 -3.734 568 HG3 GLU 69 HG3 GLU 69 7.694 4.088 -3.388 569 H THR 70 H THR 70 6.073 5.882 -4.219 570 HA THR 70 HA THR 70 6.820 7.902 -2.326 571 HB THR 70 HB THR 70 7.566 9.145 -4.345 572 HG1 THR 70 HG1 THR 70 7.236 8.263 -6.352 573 HG21 THR 70 HG21 THR 70 8.378 6.238 -4.313 574 HG22 THR 70 HG22 THR 70 9.034 7.485 -3.250 575 HG23 THR 70 HG23 THR 70 9.318 7.570 -4.990 576 H ASP 71 H ASP 71 3.987 7.105 -3.868 577 HA ASP 71 HA ASP 71 3.010 9.863 -4.015 578 HB2 ASP 71 HB2 ASP 71 2.215 7.354 -5.286 579 HB3 ASP 71 HB3 ASP 71 0.845 8.296 -4.704 580 H THR 72 H THR 72 0.832 10.320 -3.115 581 HA THR 72 HA THR 72 0.562 9.033 -0.485 582 HB THR 72 HB THR 72 -0.616 11.223 0.104 583 HG1 THR 72 HG1 THR 72 0.605 12.834 -1.539 584 HG21 THR 72 HG21 THR 72 1.604 10.748 0.934 585 HG22 THR 72 HG22 THR 72 1.540 12.435 0.412 586 HG23 THR 72 HG23 THR 72 2.319 11.223 -0.605 587 HA PRO 73 HA PRO 73 -3.576 7.765 -1.494 588 HB2 PRO 73 HB2 PRO 73 -4.851 8.153 0.895 589 HB3 PRO 73 HB3 PRO 73 -3.768 6.793 0.581 590 HG2 PRO 73 HG2 PRO 73 -3.211 9.374 1.987 591 HG3 PRO 73 HG3 PRO 73 -2.718 7.731 2.430 592 HD2 PRO 73 HD2 PRO 73 -1.033 9.450 1.246 593 HD3 PRO 73 HD3 PRO 73 -0.982 7.708 0.908 594 H ALA 74 H ALA 74 -2.794 10.934 -0.623 595 HA ALA 74 HA ALA 74 -5.502 11.947 -1.037 596 HB1 ALA 74 HB1 ALA 74 -2.985 13.475 -0.391 597 HB2 ALA 74 HB2 ALA 74 -4.127 12.862 0.800 598 HB3 ALA 74 HB3 ALA 74 -4.638 14.094 -0.354 599 H GLN 75 H GLN 75 -2.636 11.335 -2.762 600 HA GLN 75 HA GLN 75 -2.770 13.453 -4.641 601 HB2 GLN 75 HB2 GLN 75 -0.839 11.775 -4.083 602 HB3 GLN 75 HB3 GLN 75 -1.607 10.781 -5.311 603 HG2 GLN 75 HG2 GLN 75 0.145 12.030 -6.332 604 HG3 GLN 75 HG3 GLN 75 -1.401 12.663 -6.901 605 HE21 GLN 75 HE21 GLN 75 -0.109 13.328 -3.724 606 HE22 GLN 75 HE22 GLN 75 0.213 15.001 -3.994 607 H LEU 76 H LEU 76 -4.057 10.189 -4.553 608 HA LEU 76 HA LEU 76 -5.397 10.672 -7.097 609 HB2 LEU 76 HB2 LEU 76 -6.007 8.134 -6.798 610 HB3 LEU 76 HB3 LEU 76 -4.444 8.610 -7.410 611 HG LEU 76 HG LEU 76 -4.451 6.697 -5.773 612 HD11 LEU 76 HD11 LEU 76 -2.468 7.424 -4.556 613 HD12 LEU 76 HD12 LEU 76 -2.795 9.096 -5.000 614 HD13 LEU 76 HD13 LEU 76 -2.408 7.914 -6.247 615 HD21 LEU 76 HD21 LEU 76 -5.164 8.883 -3.835 616 HD22 LEU 76 HD22 LEU 76 -4.542 7.305 -3.367 617 HD23 LEU 76 HD23 LEU 76 -6.096 7.430 -4.195 618 H GLU 77 H GLU 77 -5.907 11.130 -3.983 619 HA GLU 77 HA GLU 77 -7.659 11.525 -2.648 620 HB2 GLU 77 HB2 GLU 77 -9.033 11.877 -5.305 621 HB3 GLU 77 HB3 GLU 77 -9.718 12.362 -3.761 622 HG2 GLU 77 HG2 GLU 77 -7.969 13.958 -3.412 623 HG3 GLU 77 HG3 GLU 77 -7.102 13.382 -4.834 624 H MET 78 H MET 78 -7.302 9.000 -2.399 625 HA MET 78 HA MET 78 -9.649 7.480 -3.093 626 HB2 MET 78 HB2 MET 78 -8.639 5.717 -1.596 627 HB3 MET 78 HB3 MET 78 -7.653 6.204 -2.966 628 HG2 MET 78 HG2 MET 78 -6.308 7.608 -1.506 629 HG3 MET 78 HG3 MET 78 -7.320 7.146 -0.136 630 HE1 MET 78 HE1 MET 78 -5.232 5.501 -3.083 631 HE2 MET 78 HE2 MET 78 -6.621 4.446 -2.834 632 HE3 MET 78 HE3 MET 78 -5.000 3.884 -2.425 633 H GLU 79 H GLU 79 -10.853 6.301 -1.294 634 HA GLU 79 HA GLU 79 -11.737 8.408 0.547 635 HB2 GLU 79 HB2 GLU 79 -13.848 7.235 0.630 636 HB3 GLU 79 HB3 GLU 79 -13.371 7.523 -1.046 637 HG2 GLU 79 HG2 GLU 79 -12.637 5.231 -1.239 638 HG3 GLU 79 HG3 GLU 79 -13.071 4.938 0.443 639 H ASP 80 H ASP 80 -12.708 7.620 2.657 640 HA ASP 80 HA ASP 80 -10.806 6.190 4.161 641 HB2 ASP 80 HB2 ASP 80 -13.710 6.630 4.916 642 HB3 ASP 80 HB3 ASP 80 -12.375 6.235 5.991 643 H GLU 81 H GLU 81 -10.568 4.118 4.522 644 HA GLU 81 HA GLU 81 -10.936 1.922 4.791 645 HB2 GLU 81 HB2 GLU 81 -13.870 2.592 4.505 646 HB3 GLU 81 HB3 GLU 81 -13.221 1.051 5.054 647 HG2 GLU 81 HG2 GLU 81 -12.169 2.222 6.965 648 HG3 GLU 81 HG3 GLU 81 -12.926 3.712 6.424 649 H ASP 82 H ASP 82 -10.817 3.398 2.120 650 HA ASP 82 HA ASP 82 -12.116 1.747 0.219 651 HB2 ASP 82 HB2 ASP 82 -10.810 4.097 0.045 652 HB3 ASP 82 HB3 ASP 82 -9.532 3.012 -0.487 653 H THR 83 H THR 83 -10.587 0.557 -1.474 654 HA THR 83 HA THR 83 -8.627 -1.037 0.020 655 HB THR 83 HB THR 83 -10.429 -2.421 -1.936 656 HG1 THR 83 HG1 THR 83 -11.231 -1.242 0.374 657 HG21 THR 83 HG21 THR 83 -8.472 -3.593 -1.035 658 HG22 THR 83 HG22 THR 83 -9.966 -4.337 -0.460 659 HG23 THR 83 HG23 THR 83 -9.039 -3.281 0.606 660 H ILE 84 H ILE 84 -7.020 -2.030 -1.273 661 HA ILE 84 HA ILE 84 -6.766 -0.959 -3.999 662 HB ILE 84 HB ILE 84 -4.637 -1.156 -1.839 663 HG12 ILE 84 HG12 ILE 84 -4.204 1.245 -2.682 664 HG13 ILE 84 HG13 ILE 84 -5.760 1.099 -3.482 665 HG21 ILE 84 HG21 ILE 84 -2.967 -0.521 -3.513 666 HG22 ILE 84 HG22 ILE 84 -4.176 -0.715 -4.781 667 HG23 ILE 84 HG23 ILE 84 -3.663 -2.108 -3.829 668 HD11 ILE 84 HD11 ILE 84 -6.824 0.697 -1.334 669 HD12 ILE 84 HD12 ILE 84 -5.974 2.243 -1.375 670 HD13 ILE 84 HD13 ILE 84 -5.262 0.864 -0.531 671 H ASP 85 H ASP 85 -5.804 -2.396 -5.515 672 HA ASP 85 HA ASP 85 -6.035 -5.197 -4.723 673 HB2 ASP 85 HB2 ASP 85 -7.147 -4.319 -6.789 674 HB3 ASP 85 HB3 ASP 85 -5.528 -4.018 -7.423 675 H VAL 86 H VAL 86 -4.361 -6.507 -4.545 676 HA VAL 86 HA VAL 86 -1.764 -5.524 -5.454 677 HB VAL 86 HB VAL 86 -2.515 -6.865 -2.886 678 HG11 VAL 86 HG11 VAL 86 0.223 -7.073 -4.162 679 HG12 VAL 86 HG12 VAL 86 -0.877 -8.416 -3.858 680 HG13 VAL 86 HG13 VAL 86 -0.177 -7.529 -2.506 681 HG21 VAL 86 HG21 VAL 86 -2.162 -4.475 -2.983 682 HG22 VAL 86 HG22 VAL 86 -0.548 -4.729 -3.647 683 HG23 VAL 86 HG23 VAL 86 -0.919 -5.256 -2.005 684 H PHE 87 H PHE 87 -0.528 -6.816 -6.561 685 HA PHE 87 HA PHE 87 -1.313 -9.593 -6.911 686 HB2 PHE 87 HB2 PHE 87 -0.817 -9.272 -9.437 687 HB3 PHE 87 HB3 PHE 87 -2.391 -8.778 -8.815 688 HD1 PHE 87 HD1 PHE 87 -2.653 -6.289 -8.209 689 HD2 PHE 87 HD2 PHE 87 0.462 -7.801 -10.678 690 HE1 PHE 87 HE1 PHE 87 -2.331 -4.056 -9.140 691 HE2 PHE 87 HE2 PHE 87 0.790 -5.558 -11.632 692 HZ PHE 87 HZ PHE 87 -0.607 -3.676 -10.868 693 H GLN 88 H GLN 88 0.386 -10.936 -7.590 694 HA GLN 88 HA GLN 88 2.998 -9.712 -7.036 695 HB2 GLN 88 HB2 GLN 88 2.456 -12.663 -6.859 696 HB3 GLN 88 HB3 GLN 88 3.772 -11.751 -6.144 697 HG2 GLN 88 HG2 GLN 88 1.697 -10.611 -4.872 698 HG3 GLN 88 HG3 GLN 88 1.018 -12.200 -5.190 699 HE21 GLN 88 HE21 GLN 88 4.388 -11.410 -4.530 700 HE22 GLN 88 HE22 GLN 88 4.493 -12.332 -3.073 701 H GLN 89 H GLN 89 3.997 -9.308 -8.863 702 HA GLN 89 HA GLN 89 3.538 -10.537 -11.305 703 HB2 GLN 89 HB2 GLN 89 5.931 -9.039 -10.269 704 HB3 GLN 89 HB3 GLN 89 5.833 -9.633 -11.919 705 HG2 GLN 89 HG2 GLN 89 3.781 -8.296 -12.237 706 HG3 GLN 89 HG3 GLN 89 3.994 -7.643 -10.613 707 HE21 GLN 89 HE21 GLN 89 4.199 -5.551 -11.438 708 HE22 GLN 89 HE22 GLN 89 5.638 -5.015 -12.229 709 H GLN 90 H GLN 90 5.244 -11.654 -12.561 710 HA GLN 90 HA GLN 90 6.228 -13.918 -10.974 711 HB2 GLN 90 HB2 GLN 90 5.476 -13.789 -13.899 712 HB3 GLN 90 HB3 GLN 90 6.144 -15.202 -13.096 713 HG2 GLN 90 HG2 GLN 90 4.221 -15.422 -11.710 714 HG3 GLN 90 HG3 GLN 90 3.581 -13.876 -12.264 715 HE21 GLN 90 HE21 GLN 90 2.673 -13.731 -14.285 716 HE22 GLN 90 HE22 GLN 90 2.205 -15.120 -15.192 717 H THR 91 H THR 91 8.164 -12.951 -10.408 718 HA THR 91 HA THR 91 10.169 -12.877 -12.509 719 HB THR 91 HB THR 91 9.813 -10.519 -10.637 720 HG1 THR 91 HG1 THR 91 8.692 -11.080 -13.110 721 HG21 THR 91 HG21 THR 91 12.107 -10.899 -11.424 722 HG22 THR 91 HG22 THR 91 11.431 -9.431 -12.129 723 HG23 THR 91 HG23 THR 91 11.535 -10.904 -13.092 724 H GLY 92 H GLY 92 12.175 -13.475 -11.732 725 HA2 GLY 92 HA2 GLY 92 12.451 -13.720 -8.811 726 HA3 GLY 92 HA3 GLY 92 12.913 -15.031 -9.889 727 H GLY 93 H GLY 93 14.688 -13.777 -8.085 728 HA2 GLY 93 HA2 GLY 93 16.589 -12.702 -10.048 729 HA3 GLY 93 HA3 GLY 93 16.322 -11.830 -8.545 Start of MODEL 12 1 H MET 1 H MET 1 19.006 33.174 23.764 2 HA MET 1 HA MET 1 16.688 33.044 24.264 3 HB2 MET 1 HB2 MET 1 17.380 34.886 21.980 4 HB3 MET 1 HB3 MET 1 15.882 35.006 22.886 5 HG2 MET 1 HG2 MET 1 17.200 35.379 24.933 6 HG3 MET 1 HG3 MET 1 18.668 35.350 23.969 7 HE1 MET 1 HE1 MET 1 19.197 37.063 22.109 8 HE2 MET 1 HE2 MET 1 18.213 38.474 21.708 9 HE3 MET 1 HE3 MET 1 17.629 36.849 21.333 10 H ALA 2 H ALA 2 17.511 31.483 21.446 11 HA ALA 2 HA ALA 2 14.752 31.284 20.532 12 HB1 ALA 2 HB1 ALA 2 16.485 31.627 18.828 13 HB2 ALA 2 HB2 ALA 2 15.687 30.069 18.623 14 HB3 ALA 2 HB3 ALA 2 17.291 30.148 19.349 15 H ASP 3 H ASP 3 13.711 30.001 21.942 16 HA ASP 3 HA ASP 3 14.971 27.690 23.128 17 HB2 ASP 3 HB2 ASP 3 12.099 28.621 23.297 18 HB3 ASP 3 HB3 ASP 3 12.842 27.380 24.297 19 H GLU 4 H GLU 4 14.756 27.570 20.268 20 HA GLU 4 HA GLU 4 12.620 26.001 19.395 21 HB2 GLU 4 HB2 GLU 4 15.452 25.883 18.353 22 HB3 GLU 4 HB3 GLU 4 13.988 25.437 17.489 23 HG2 GLU 4 HG2 GLU 4 14.919 28.169 18.284 24 HG3 GLU 4 HG3 GLU 4 14.635 27.539 16.662 25 H LYS 5 H LYS 5 12.031 24.187 20.276 26 HA LYS 5 HA LYS 5 13.598 21.886 20.393 27 HB2 LYS 5 HB2 LYS 5 14.766 22.956 22.239 28 HB3 LYS 5 HB3 LYS 5 13.252 23.297 23.052 29 HG2 LYS 5 HG2 LYS 5 12.879 20.891 23.346 30 HG3 LYS 5 HG3 LYS 5 14.421 20.568 22.549 31 HD2 LYS 5 HD2 LYS 5 14.610 20.490 25.005 32 HD3 LYS 5 HD3 LYS 5 15.605 21.765 24.301 33 HE2 LYS 5 HE2 LYS 5 13.924 23.430 24.891 34 HE3 LYS 5 HE3 LYS 5 12.873 22.166 25.527 35 HZ1 LYS 5 HZ1 LYS 5 14.470 21.707 27.236 36 HZ2 LYS 5 HZ2 LYS 5 14.131 23.364 27.253 37 HZ3 LYS 5 HZ3 LYS 5 15.571 22.808 26.580 38 HA PRO 6 HA PRO 6 9.316 21.070 22.400 39 HB2 PRO 6 HB2 PRO 6 7.822 23.562 22.536 40 HB3 PRO 6 HB3 PRO 6 8.253 22.464 23.849 41 HG2 PRO 6 HG2 PRO 6 9.316 24.954 23.598 42 HG3 PRO 6 HG3 PRO 6 10.187 23.596 24.338 43 HD2 PRO 6 HD2 PRO 6 10.396 24.691 21.556 44 HD3 PRO 6 HD3 PRO 6 11.690 24.211 22.673 45 H LYS 7 H LYS 7 7.090 21.022 21.584 46 HA LYS 7 HA LYS 7 6.983 21.752 18.723 47 HB2 LYS 7 HB2 LYS 7 5.664 19.424 20.121 48 HB3 LYS 7 HB3 LYS 7 5.585 19.780 18.400 49 HG2 LYS 7 HG2 LYS 7 7.965 19.414 18.181 50 HG3 LYS 7 HG3 LYS 7 8.101 19.145 19.919 51 HD2 LYS 7 HD2 LYS 7 8.081 17.028 18.760 52 HD3 LYS 7 HD3 LYS 7 6.602 17.206 19.705 53 HE2 LYS 7 HE2 LYS 7 5.383 17.853 17.715 54 HE3 LYS 7 HE3 LYS 7 6.858 17.755 16.754 55 HZ1 LYS 7 HZ1 LYS 7 6.974 15.391 17.269 56 HZ2 LYS 7 HZ2 LYS 7 5.517 15.770 16.496 57 HZ3 LYS 7 HZ3 LYS 7 5.542 15.499 18.161 58 H GLU 8 H GLU 8 6.191 23.369 20.928 59 HA GLU 8 HA GLU 8 3.400 23.306 21.353 60 HB2 GLU 8 HB2 GLU 8 5.436 25.489 21.759 61 HB3 GLU 8 HB3 GLU 8 3.756 25.615 22.263 62 HG2 GLU 8 HG2 GLU 8 5.755 23.586 23.233 63 HG3 GLU 8 HG3 GLU 8 5.167 24.989 24.125 64 H GLY 9 H GLY 9 2.254 25.588 20.956 65 HA2 GLY 9 HA2 GLY 9 1.768 27.266 19.288 66 HA3 GLY 9 HA3 GLY 9 2.559 26.229 18.101 67 H VAL 10 H VAL 10 1.308 23.868 19.190 68 HA VAL 10 HA VAL 10 -1.390 24.268 18.123 69 HB VAL 10 HB VAL 10 -0.122 22.831 16.647 70 HG11 VAL 10 HG11 VAL 10 1.593 22.049 18.162 71 HG12 VAL 10 HG12 VAL 10 0.799 20.672 17.397 72 HG13 VAL 10 HG13 VAL 10 0.403 21.105 19.060 73 HG21 VAL 10 HG21 VAL 10 -2.098 21.262 18.297 74 HG22 VAL 10 HG22 VAL 10 -1.523 20.798 16.693 75 HG23 VAL 10 HG23 VAL 10 -2.460 22.279 16.903 76 H LYS 11 H LYS 11 -2.982 24.078 19.544 77 HA LYS 11 HA LYS 11 -2.494 23.139 22.166 78 HB2 LYS 11 HB2 LYS 11 -4.958 23.555 22.450 79 HB3 LYS 11 HB3 LYS 11 -3.996 24.945 21.994 80 HG2 LYS 11 HG2 LYS 11 -5.849 25.195 20.643 81 HG3 LYS 11 HG3 LYS 11 -4.765 24.317 19.574 82 HD2 LYS 11 HD2 LYS 11 -6.947 23.334 19.410 83 HD3 LYS 11 HD3 LYS 11 -5.897 22.206 20.264 84 HE2 LYS 11 HE2 LYS 11 -8.045 22.292 21.360 85 HE3 LYS 11 HE3 LYS 11 -6.831 23.014 22.409 86 HZ1 LYS 11 HZ1 LYS 11 -8.730 24.507 20.686 87 HZ2 LYS 11 HZ2 LYS 11 -7.581 25.202 21.708 88 HZ3 LYS 11 HZ3 LYS 11 -8.861 24.313 22.359 89 H THR 12 H THR 12 -4.089 21.768 19.350 90 HA THR 12 HA THR 12 -3.908 19.137 20.486 91 HB THR 12 HB THR 12 -6.648 20.211 19.760 92 HG1 THR 12 HG1 THR 12 -5.273 20.344 22.085 93 HG21 THR 12 HG21 THR 12 -7.466 18.075 20.622 94 HG22 THR 12 HG22 THR 12 -5.809 17.576 20.959 95 HG23 THR 12 HG23 THR 12 -6.331 17.826 19.294 96 H GLU 13 H GLU 13 -3.975 17.583 18.913 97 HA GLU 13 HA GLU 13 -3.347 18.310 16.282 98 HB2 GLU 13 HB2 GLU 13 -4.401 15.602 17.083 99 HB3 GLU 13 HB3 GLU 13 -3.271 15.988 15.795 100 HG2 GLU 13 HG2 GLU 13 -1.909 15.059 17.422 101 HG3 GLU 13 HG3 GLU 13 -1.732 16.793 17.695 102 H ASN 14 H ASN 14 -4.839 19.424 15.111 103 HA ASN 14 HA ASN 14 -7.617 18.621 15.071 104 HB2 ASN 14 HB2 ASN 14 -6.113 20.737 13.518 105 HB3 ASN 14 HB3 ASN 14 -7.836 20.432 13.338 106 HD21 ASN 14 HD21 ASN 14 -9.213 20.917 15.070 107 HD22 ASN 14 HD22 ASN 14 -8.749 22.025 16.310 108 H ASN 15 H ASN 15 -4.768 18.275 13.106 109 HA ASN 15 HA ASN 15 -6.028 17.301 10.773 110 HB2 ASN 15 HB2 ASN 15 -3.871 16.575 10.021 111 HB3 ASN 15 HB3 ASN 15 -3.626 18.073 10.904 112 HD21 ASN 15 HD21 ASN 15 -3.841 16.769 13.533 113 HD22 ASN 15 HD22 ASN 15 -2.373 15.888 13.748 114 H ASP 16 H ASP 16 -6.105 15.118 9.963 115 HA ASP 16 HA ASP 16 -6.003 13.045 12.012 116 HB2 ASP 16 HB2 ASP 16 -8.373 14.041 11.813 117 HB3 ASP 16 HB3 ASP 16 -8.440 13.245 10.245 118 H HIS 17 H HIS 17 -7.263 11.027 10.324 119 HA HIS 17 HA HIS 17 -5.698 10.917 7.934 120 HB2 HIS 17 HB2 HIS 17 -4.457 8.896 8.599 121 HB3 HIS 17 HB3 HIS 17 -3.999 10.270 9.595 122 HD1 HIS 17 HD1 HIS 17 -5.160 10.269 12.072 123 HD2 HIS 17 HD2 HIS 17 -5.188 6.700 9.957 124 HE1 HIS 17 HE1 HIS 17 -5.701 8.503 13.762 125 HE2 HIS 17 HE2 HIS 17 -6.138 6.474 12.355 126 H ILE 18 H ILE 18 -6.019 8.458 7.082 127 HA ILE 18 HA ILE 18 -8.751 7.693 7.820 128 HB ILE 18 HB ILE 18 -9.256 7.136 5.483 129 HG12 ILE 18 HG12 ILE 18 -6.796 8.748 4.748 130 HG13 ILE 18 HG13 ILE 18 -6.841 6.985 4.745 131 HG21 ILE 18 HG21 ILE 18 -10.087 9.203 6.400 132 HG22 ILE 18 HG22 ILE 18 -9.624 9.465 4.717 133 HG23 ILE 18 HG23 ILE 18 -8.573 10.022 6.018 134 HD11 ILE 18 HD11 ILE 18 -7.139 7.874 2.515 135 HD12 ILE 18 HD12 ILE 18 -8.531 8.816 3.053 136 HD13 ILE 18 HD13 ILE 18 -8.604 7.052 3.050 137 H ASN 19 H ASN 19 -9.323 5.522 6.880 138 HA ASN 19 HA ASN 19 -7.110 3.704 7.455 139 HB2 ASN 19 HB2 ASN 19 -10.063 3.082 7.209 140 HB3 ASN 19 HB3 ASN 19 -8.811 2.018 7.840 141 HD21 ASN 19 HD21 ASN 19 -10.820 4.765 8.460 142 HD22 ASN 19 HD22 ASN 19 -10.497 4.881 10.145 143 H LEU 20 H LEU 20 -6.484 2.202 5.980 144 HA LEU 20 HA LEU 20 -7.886 2.150 3.388 145 HB2 LEU 20 HB2 LEU 20 -5.075 2.787 3.956 146 HB3 LEU 20 HB3 LEU 20 -5.292 1.570 2.715 147 HG LEU 20 HG LEU 20 -5.093 3.682 1.633 148 HD11 LEU 20 HD11 LEU 20 -8.020 2.976 1.670 149 HD12 LEU 20 HD12 LEU 20 -6.783 2.136 0.739 150 HD13 LEU 20 HD13 LEU 20 -7.144 3.828 0.399 151 HD21 LEU 20 HD21 LEU 20 -7.309 4.655 3.423 152 HD22 LEU 20 HD22 LEU 20 -6.575 5.563 2.100 153 HD23 LEU 20 HD23 LEU 20 -5.611 5.127 3.512 154 H LYS 21 H LYS 21 -7.380 0.208 2.131 155 HA LYS 21 HA LYS 21 -6.658 -2.092 3.795 156 HB2 LYS 21 HB2 LYS 21 -9.058 -1.840 2.007 157 HB3 LYS 21 HB3 LYS 21 -8.503 -3.349 2.710 158 HG2 LYS 21 HG2 LYS 21 -9.023 -2.647 4.879 159 HG3 LYS 21 HG3 LYS 21 -9.249 -0.973 4.363 160 HD2 LYS 21 HD2 LYS 21 -11.407 -2.073 4.746 161 HD3 LYS 21 HD3 LYS 21 -11.198 -1.633 3.048 162 HE2 LYS 21 HE2 LYS 21 -10.469 -3.956 2.591 163 HE3 LYS 21 HE3 LYS 21 -10.825 -4.359 4.276 164 HZ1 LYS 21 HZ1 LYS 21 -13.131 -3.897 3.900 165 HZ2 LYS 21 HZ2 LYS 21 -12.628 -4.917 2.655 166 HZ3 LYS 21 HZ3 LYS 21 -12.832 -3.273 2.363 167 H VAL 22 H VAL 22 -5.743 -3.760 2.674 168 HA VAL 22 HA VAL 22 -5.286 -3.293 -0.188 169 HB VAL 22 HB VAL 22 -3.222 -4.277 1.799 170 HG11 VAL 22 HG11 VAL 22 -1.736 -4.530 -0.100 171 HG12 VAL 22 HG12 VAL 22 -3.047 -4.086 -1.195 172 HG13 VAL 22 HG13 VAL 22 -3.145 -5.579 -0.261 173 HG21 VAL 22 HG21 VAL 22 -1.957 -2.341 1.139 174 HG22 VAL 22 HG22 VAL 22 -3.570 -1.811 1.617 175 HG23 VAL 22 HG23 VAL 22 -3.151 -1.928 -0.089 176 H ALA 23 H ALA 23 -6.129 -4.797 -1.315 177 HA ALA 23 HA ALA 23 -6.695 -7.400 -0.142 178 HB1 ALA 23 HB1 ALA 23 -7.488 -6.279 -2.830 179 HB2 ALA 23 HB2 ALA 23 -8.489 -6.279 -1.376 180 HB3 ALA 23 HB3 ALA 23 -8.034 -7.806 -2.135 181 H GLY 24 H GLY 24 -5.421 -9.026 -0.435 182 HA2 GLY 24 HA2 GLY 24 -3.216 -8.780 -2.301 183 HA3 GLY 24 HA3 GLY 24 -3.403 -10.022 -1.064 184 H GLN 25 H GLN 25 -2.704 -10.550 -3.711 185 HA GLN 25 HA GLN 25 -4.873 -11.329 -5.320 186 HB2 GLN 25 HB2 GLN 25 -3.079 -12.953 -6.316 187 HB3 GLN 25 HB3 GLN 25 -2.937 -11.218 -6.534 188 HG2 GLN 25 HG2 GLN 25 -0.809 -12.430 -5.963 189 HG3 GLN 25 HG3 GLN 25 -1.203 -11.055 -4.939 190 HE21 GLN 25 HE21 GLN 25 -1.176 -14.540 -5.127 191 HE22 GLN 25 HE22 GLN 25 -1.102 -14.822 -3.423 192 H ASP 26 H ASP 26 -3.600 -12.718 -2.506 193 HA ASP 26 HA ASP 26 -4.481 -15.409 -2.909 194 HB2 ASP 26 HB2 ASP 26 -2.664 -14.876 -1.355 195 HB3 ASP 26 HB3 ASP 26 -3.759 -13.905 -0.380 196 H GLY 27 H GLY 27 -6.083 -12.516 -2.282 197 HA2 GLY 27 HA2 GLY 27 -8.440 -12.338 -2.197 198 HA3 GLY 27 HA3 GLY 27 -8.523 -13.982 -1.586 199 H SER 28 H SER 28 -6.174 -12.251 0.010 200 HA SER 28 HA SER 28 -7.924 -11.943 2.323 201 HB2 SER 28 HB2 SER 28 -5.817 -13.291 2.540 202 HB3 SER 28 HB3 SER 28 -4.907 -11.817 2.223 203 HG SER 28 HG SER 28 -6.183 -12.646 4.506 204 H VAL 29 H VAL 29 -7.635 -10.038 3.620 205 HA VAL 29 HA VAL 29 -6.503 -7.803 2.170 206 HB VAL 29 HB VAL 29 -8.911 -7.928 1.568 207 HG11 VAL 29 HG11 VAL 29 -9.341 -7.303 4.482 208 HG12 VAL 29 HG12 VAL 29 -9.823 -8.779 3.644 209 HG13 VAL 29 HG13 VAL 29 -10.590 -7.243 3.238 210 HG21 VAL 29 HG21 VAL 29 -9.384 -5.552 1.938 211 HG22 VAL 29 HG22 VAL 29 -7.707 -5.816 1.456 212 HG23 VAL 29 HG23 VAL 29 -8.097 -5.490 3.144 213 H VAL 30 H VAL 30 -5.557 -6.338 3.428 214 HA VAL 30 HA VAL 30 -5.791 -6.704 6.325 215 HB VAL 30 HB VAL 30 -3.511 -6.949 5.352 216 HG11 VAL 30 HG11 VAL 30 -3.787 -4.039 4.641 217 HG12 VAL 30 HG12 VAL 30 -3.704 -5.389 3.512 218 HG13 VAL 30 HG13 VAL 30 -2.311 -4.997 4.523 219 HG21 VAL 30 HG21 VAL 30 -2.357 -5.417 6.918 220 HG22 VAL 30 HG22 VAL 30 -3.699 -6.287 7.661 221 HG23 VAL 30 HG23 VAL 30 -3.893 -4.595 7.198 222 H GLN 31 H GLN 31 -6.432 -5.016 7.644 223 HA GLN 31 HA GLN 31 -7.220 -2.539 6.302 224 HB2 GLN 31 HB2 GLN 31 -8.159 -3.403 9.006 225 HB3 GLN 31 HB3 GLN 31 -8.942 -2.325 7.862 226 HG2 GLN 31 HG2 GLN 31 -9.271 -4.291 6.356 227 HG3 GLN 31 HG3 GLN 31 -8.704 -5.311 7.674 228 HE21 GLN 31 HE21 GLN 31 -11.231 -3.324 6.484 229 HE22 GLN 31 HE22 GLN 31 -12.414 -3.793 7.639 230 H PHE 32 H PHE 32 -6.162 -0.786 6.846 231 HA PHE 32 HA PHE 32 -4.681 -0.595 9.357 232 HB2 PHE 32 HB2 PHE 32 -2.592 0.049 8.165 233 HB3 PHE 32 HB3 PHE 32 -3.032 -1.648 7.970 234 HD1 PHE 32 HD1 PHE 32 -4.268 -2.298 5.841 235 HD2 PHE 32 HD2 PHE 32 -2.215 1.395 6.302 236 HE1 PHE 32 HE1 PHE 32 -4.226 -2.027 3.412 237 HE2 PHE 32 HE2 PHE 32 -2.166 1.672 3.884 238 HZ PHE 32 HZ PHE 32 -3.170 -0.035 2.425 239 H LYS 33 H LYS 33 -3.539 1.553 9.496 240 HA LYS 33 HA LYS 33 -5.346 3.591 8.384 241 HB2 LYS 33 HB2 LYS 33 -3.741 3.858 10.909 242 HB3 LYS 33 HB3 LYS 33 -5.091 4.849 10.376 243 HG2 LYS 33 HG2 LYS 33 -6.542 2.816 10.572 244 HG3 LYS 33 HG3 LYS 33 -5.174 2.005 11.312 245 HD2 LYS 33 HD2 LYS 33 -6.478 4.512 12.363 246 HD3 LYS 33 HD3 LYS 33 -6.705 2.885 13.009 247 HE2 LYS 33 HE2 LYS 33 -4.104 4.403 12.892 248 HE3 LYS 33 HE3 LYS 33 -5.087 4.157 14.332 249 HZ1 LYS 33 HZ1 LYS 33 -3.236 2.607 14.224 250 HZ2 LYS 33 HZ2 LYS 33 -3.779 2.012 12.747 251 HZ3 LYS 33 HZ3 LYS 33 -4.706 1.779 14.143 252 H ILE 34 H ILE 34 -4.526 5.408 7.444 253 HA ILE 34 HA ILE 34 -1.670 5.949 7.564 254 HB ILE 34 HB ILE 34 -1.845 4.424 5.650 255 HG12 ILE 34 HG12 ILE 34 -1.467 7.276 4.707 256 HG13 ILE 34 HG13 ILE 34 -0.249 6.326 5.547 257 HG21 ILE 34 HG21 ILE 34 -3.166 5.032 3.665 258 HG22 ILE 34 HG22 ILE 34 -3.857 6.385 4.566 259 HG23 ILE 34 HG23 ILE 34 -4.167 4.728 5.087 260 HD11 ILE 34 HD11 ILE 34 -0.195 4.748 3.700 261 HD12 ILE 34 HD12 ILE 34 0.147 6.386 3.149 262 HD13 ILE 34 HD13 ILE 34 -1.440 5.672 2.861 263 H LYS 35 H LYS 35 -1.160 8.124 6.986 264 HA LYS 35 HA LYS 35 -3.410 9.918 7.296 265 HB2 LYS 35 HB2 LYS 35 -0.535 10.714 6.940 266 HB3 LYS 35 HB3 LYS 35 -1.829 11.635 7.701 267 HG2 LYS 35 HG2 LYS 35 -1.891 9.540 9.303 268 HG3 LYS 35 HG3 LYS 35 -0.224 9.393 8.750 269 HD2 LYS 35 HD2 LYS 35 -1.402 11.876 10.005 270 HD3 LYS 35 HD3 LYS 35 -0.386 10.704 10.839 271 HE2 LYS 35 HE2 LYS 35 0.414 12.385 8.466 272 HE3 LYS 35 HE3 LYS 35 0.908 12.649 10.136 273 HZ1 LYS 35 HZ1 LYS 35 1.975 10.423 10.057 274 HZ2 LYS 35 HZ2 LYS 35 2.652 11.531 8.984 275 HZ3 LYS 35 HZ3 LYS 35 1.608 10.336 8.406 276 H ARG 36 H ARG 36 -3.693 11.795 5.903 277 HA ARG 36 HA ARG 36 -3.946 11.007 3.223 278 HB2 ARG 36 HB2 ARG 36 -4.010 13.860 4.192 279 HB3 ARG 36 HB3 ARG 36 -4.870 13.163 2.832 280 HG2 ARG 36 HG2 ARG 36 -5.437 12.793 5.759 281 HG3 ARG 36 HG3 ARG 36 -6.455 13.555 4.539 282 HD2 ARG 36 HD2 ARG 36 -5.734 10.635 4.737 283 HD3 ARG 36 HD3 ARG 36 -7.305 11.357 5.079 284 HE ARG 36 HE ARG 36 -6.084 11.024 2.430 285 HH11 ARG 36 HH11 ARG 36 -8.872 11.885 4.372 286 HH12 ARG 36 HH12 ARG 36 -9.995 11.736 3.070 287 HH21 ARG 36 HH21 ARG 36 -7.596 10.841 0.675 288 HH22 ARG 36 HH22 ARG 36 -9.273 11.142 0.969 289 H HIS 37 H HIS 37 -1.611 13.051 4.900 290 HA HIS 37 HA HIS 37 -0.245 13.704 2.411 291 HB2 HIS 37 HB2 HIS 37 -0.654 15.365 4.293 292 HB3 HIS 37 HB3 HIS 37 0.541 14.468 5.223 293 HD1 HIS 37 HD1 HIS 37 2.602 15.860 5.250 294 HD2 HIS 37 HD2 HIS 37 0.798 15.845 1.509 295 HE1 HIS 37 HE1 HIS 37 4.114 17.204 3.765 296 HE2 HIS 37 HE2 HIS 37 2.947 17.268 1.533 297 H THR 38 H THR 38 -0.321 11.049 4.119 298 HA THR 38 HA THR 38 2.529 10.655 4.423 299 HB THR 38 HB THR 38 0.136 9.075 5.362 300 HG1 THR 38 HG1 THR 38 1.728 10.970 6.351 301 HG21 THR 38 HG21 THR 38 3.061 8.313 5.574 302 HG22 THR 38 HG22 THR 38 1.856 7.488 4.587 303 HG23 THR 38 HG23 THR 38 1.714 7.471 6.348 304 HA PRO 39 HA PRO 39 2.814 8.741 0.450 305 HB2 PRO 39 HB2 PRO 39 5.173 7.420 0.880 306 HB3 PRO 39 HB3 PRO 39 5.066 9.139 0.485 307 HG2 PRO 39 HG2 PRO 39 5.409 7.812 3.142 308 HG3 PRO 39 HG3 PRO 39 6.204 9.262 2.505 309 HD2 PRO 39 HD2 PRO 39 4.170 9.410 4.246 310 HD3 PRO 39 HD3 PRO 39 4.378 10.610 2.957 311 H LEU 40 H LEU 40 2.440 6.809 -0.516 312 HA LEU 40 HA LEU 40 1.204 4.736 0.913 313 HB2 LEU 40 HB2 LEU 40 2.314 4.813 -1.883 314 HB3 LEU 40 HB3 LEU 40 1.343 3.495 -1.261 315 HG LEU 40 HG LEU 40 0.393 6.338 -1.425 316 HD11 LEU 40 HD11 LEU 40 -0.883 5.619 -3.395 317 HD12 LEU 40 HD12 LEU 40 -0.043 4.066 -3.344 318 HD13 LEU 40 HD13 LEU 40 0.859 5.548 -3.658 319 HD21 LEU 40 HD21 LEU 40 -0.766 4.944 0.209 320 HD22 LEU 40 HD22 LEU 40 -1.105 3.763 -1.064 321 HD23 LEU 40 HD23 LEU 40 -1.810 5.378 -1.144 322 H SER 41 H SER 41 4.482 5.392 0.491 323 HA SER 41 HA SER 41 5.719 2.940 0.307 324 HB2 SER 41 HB2 SER 41 6.834 5.205 0.367 325 HB3 SER 41 HB3 SER 41 6.628 5.188 2.117 326 HG SER 41 HG SER 41 8.245 3.561 0.479 327 HH31 ALY 42 HH31 ALY 42 0.017 0.579 10.664 328 HH32 ALY 42 HH32 ALY 42 -0.834 0.659 9.109 329 HH33 ALY 42 HH33 ALY 42 -0.882 2.029 10.237 330 HZ ALY 42 HZ ALY 42 -0.181 2.744 7.868 331 HE3 ALY 42 HE3 ALY 42 1.661 4.488 8.235 332 HE2 ALY 42 HE2 ALY 42 2.718 3.130 7.857 333 HD3 ALY 42 HD3 ALY 42 1.500 2.897 5.677 334 HD2 ALY 42 HD2 ALY 42 0.637 4.383 6.069 335 HG3 ALY 42 HG3 ALY 42 2.521 4.824 4.569 336 HG2 ALY 42 HG2 ALY 42 2.767 5.604 6.124 337 HB3 ALY 42 HB3 ALY 42 4.837 4.694 5.711 338 HB2 ALY 42 HB2 ALY 42 4.105 3.452 6.693 339 HCA ALY 42 HCA ALY 42 5.244 2.347 4.918 340 H ALY 42 H ALY 42 4.409 4.494 3.246 341 H LEU 43 H LEU 43 2.365 3.130 3.128 342 HA LEU 43 HA LEU 43 0.610 1.201 4.176 343 HB2 LEU 43 HB2 LEU 43 -0.333 2.922 2.857 344 HB3 LEU 43 HB3 LEU 43 0.784 2.649 1.539 345 HG LEU 43 HG LEU 43 -1.227 0.527 2.210 346 HD11 LEU 43 HD11 LEU 43 -2.557 2.552 2.107 347 HD12 LEU 43 HD12 LEU 43 -2.794 1.601 0.636 348 HD13 LEU 43 HD13 LEU 43 -1.757 3.022 0.609 349 HD21 LEU 43 HD21 LEU 43 0.025 1.512 -0.358 350 HD22 LEU 43 HD22 LEU 43 -1.102 0.152 -0.216 351 HD23 LEU 43 HD23 LEU 43 0.492 0.056 0.540 352 H MET 44 H MET 44 2.713 1.085 1.324 353 HA MET 44 HA MET 44 2.179 -1.572 0.596 354 HB2 MET 44 HB2 MET 44 4.471 0.296 0.079 355 HB3 MET 44 HB3 MET 44 4.520 -1.367 -0.484 356 HG2 MET 44 HG2 MET 44 2.801 -1.065 -1.965 357 HG3 MET 44 HG3 MET 44 2.189 0.381 -1.181 358 HE1 MET 44 HE1 MET 44 1.979 1.628 -3.453 359 HE2 MET 44 HE2 MET 44 2.529 0.189 -4.312 360 HE3 MET 44 HE3 MET 44 3.270 1.753 -4.647 361 H LYS 45 H LYS 45 4.580 -0.144 2.727 362 HA LYS 45 HA LYS 45 5.970 -2.536 3.244 363 HB2 LYS 45 HB2 LYS 45 6.949 -0.339 3.693 364 HB3 LYS 45 HB3 LYS 45 5.736 -0.031 4.922 365 HG2 LYS 45 HG2 LYS 45 7.857 -0.646 5.924 366 HG3 LYS 45 HG3 LYS 45 6.629 -1.860 6.274 367 HD2 LYS 45 HD2 LYS 45 8.690 -2.970 5.721 368 HD3 LYS 45 HD3 LYS 45 7.536 -3.229 4.414 369 HE2 LYS 45 HE2 LYS 45 9.789 -2.714 3.563 370 HE3 LYS 45 HE3 LYS 45 8.612 -1.496 3.085 371 HZ1 LYS 45 HZ1 LYS 45 9.425 -0.060 4.844 372 HZ2 LYS 45 HZ2 LYS 45 10.686 -0.502 3.821 373 HZ3 LYS 45 HZ3 LYS 45 10.534 -1.236 5.332 374 H ALA 46 H ALA 46 3.297 -0.904 4.907 375 HA ALA 46 HA ALA 46 3.116 -2.545 7.152 376 HB1 ALA 46 HB1 ALA 46 0.822 -1.247 5.684 377 HB2 ALA 46 HB2 ALA 46 1.856 -0.447 6.868 378 HB3 ALA 46 HB3 ALA 46 0.824 -1.789 7.363 379 H TYR 47 H TYR 47 1.395 -2.861 4.045 380 HA TYR 47 HA TYR 47 0.123 -5.277 4.677 381 HB2 TYR 47 HB2 TYR 47 -0.741 -4.109 2.834 382 HB3 TYR 47 HB3 TYR 47 0.833 -3.992 2.047 383 HD1 TYR 47 HD1 TYR 47 -1.976 -6.235 2.841 384 HD2 TYR 47 HD2 TYR 47 1.652 -5.784 0.688 385 HE1 TYR 47 HE1 TYR 47 -2.499 -8.263 1.568 386 HE2 TYR 47 HE2 TYR 47 1.141 -7.810 -0.610 387 HH TYR 47 HH TYR 47 -0.220 -9.856 -0.378 388 H CYS 48 H CYS 48 3.285 -4.602 3.230 389 HA CYS 48 HA CYS 48 3.895 -7.255 2.481 390 HB2 CYS 48 HB2 CYS 48 5.274 -5.798 1.403 391 HB3 CYS 48 HB3 CYS 48 5.354 -4.682 2.762 392 HG CYS 48 HG CYS 48 7.022 -7.658 2.787 393 H GLU 49 H GLU 49 4.514 -5.387 5.387 394 HA GLU 49 HA GLU 49 6.135 -7.290 6.697 395 HB2 GLU 49 HB2 GLU 49 4.362 -5.135 7.850 396 HB3 GLU 49 HB3 GLU 49 5.580 -6.025 8.751 397 HG2 GLU 49 HG2 GLU 49 6.270 -4.475 6.293 398 HG3 GLU 49 HG3 GLU 49 6.172 -3.700 7.864 399 H ARG 50 H ARG 50 2.654 -6.744 6.647 400 HA ARG 50 HA ARG 50 1.954 -8.566 8.699 401 HB2 ARG 50 HB2 ARG 50 0.330 -7.624 6.340 402 HB3 ARG 50 HB3 ARG 50 -0.313 -8.471 7.736 403 HG2 ARG 50 HG2 ARG 50 1.090 -5.824 7.888 404 HG3 ARG 50 HG3 ARG 50 -0.654 -6.008 7.724 405 HD2 ARG 50 HD2 ARG 50 -0.161 -5.675 10.028 406 HD3 ARG 50 HD3 ARG 50 -0.639 -7.355 9.816 407 HE ARG 50 HE ARG 50 2.169 -7.142 9.675 408 HH11 ARG 50 HH11 ARG 50 -0.451 -6.940 11.993 409 HH12 ARG 50 HH12 ARG 50 0.526 -7.420 13.334 410 HH21 ARG 50 HH21 ARG 50 3.473 -7.809 11.468 411 HH22 ARG 50 HH22 ARG 50 2.756 -7.909 13.035 412 H GLN 51 H GLN 51 1.832 -8.906 5.176 413 HA GLN 51 HA GLN 51 1.098 -11.664 5.347 414 HB2 GLN 51 HB2 GLN 51 1.503 -9.700 3.193 415 HB3 GLN 51 HB3 GLN 51 1.875 -11.361 2.756 416 HG2 GLN 51 HG2 GLN 51 -0.413 -10.839 2.185 417 HG3 GLN 51 HG3 GLN 51 -0.364 -12.054 3.455 418 HE21 GLN 51 HE21 GLN 51 0.120 -8.588 3.931 419 HE22 GLN 51 HE22 GLN 51 -1.317 -8.347 4.856 420 H GLY 52 H GLY 52 4.118 -9.999 5.291 421 HA2 GLY 52 HA2 GLY 52 6.179 -10.950 5.799 422 HA3 GLY 52 HA3 GLY 52 5.476 -12.545 5.576 423 H LEU 53 H LEU 53 4.651 -10.697 2.969 424 HA LEU 53 HA LEU 53 6.634 -11.998 1.322 425 HB2 LEU 53 HB2 LEU 53 5.270 -11.021 -0.570 426 HB3 LEU 53 HB3 LEU 53 4.465 -12.198 0.439 427 HG LEU 53 HG LEU 53 3.414 -10.214 1.661 428 HD11 LEU 53 HD11 LEU 53 3.260 -8.137 0.414 429 HD12 LEU 53 HD12 LEU 53 4.391 -8.774 -0.787 430 HD13 LEU 53 HD13 LEU 53 4.928 -8.493 0.868 431 HD21 LEU 53 HD21 LEU 53 2.184 -11.644 0.116 432 HD22 LEU 53 HD22 LEU 53 2.744 -10.668 -1.243 433 HD23 LEU 53 HD23 LEU 53 1.676 -9.962 -0.033 434 H SER 54 H SER 54 7.313 -10.510 -0.677 435 HA SER 54 HA SER 54 8.682 -8.242 0.557 436 HB2 SER 54 HB2 SER 54 9.199 -9.723 -2.025 437 HB3 SER 54 HB3 SER 54 10.209 -8.427 -1.392 438 HG SER 54 HG SER 54 10.371 -9.848 0.547 439 H MET 55 H MET 55 8.141 -6.189 0.029 440 HA MET 55 HA MET 55 5.908 -5.618 -1.618 441 HB2 MET 55 HB2 MET 55 6.505 -3.239 -1.336 442 HB3 MET 55 HB3 MET 55 6.477 -4.105 0.192 443 HG2 MET 55 HG2 MET 55 8.698 -3.839 0.538 444 HG3 MET 55 HG3 MET 55 9.089 -3.911 -1.182 445 HE1 MET 55 HE1 MET 55 6.312 -1.532 0.281 446 HE2 MET 55 HE2 MET 55 7.285 -0.161 0.818 447 HE3 MET 55 HE3 MET 55 7.442 -1.727 1.615 448 H ARG 56 H ARG 56 9.261 -5.918 -2.302 449 HA ARG 56 HA ARG 56 9.217 -4.457 -4.771 450 HB2 ARG 56 HB2 ARG 56 11.472 -5.264 -5.073 451 HB3 ARG 56 HB3 ARG 56 11.268 -4.778 -3.396 452 HG2 ARG 56 HG2 ARG 56 10.944 -7.133 -2.774 453 HG3 ARG 56 HG3 ARG 56 11.219 -7.596 -4.450 454 HD2 ARG 56 HD2 ARG 56 13.285 -7.924 -3.417 455 HD3 ARG 56 HD3 ARG 56 13.444 -6.375 -4.227 456 HE ARG 56 HE ARG 56 13.257 -5.286 -2.117 457 HH11 ARG 56 HH11 ARG 56 13.497 -8.789 -1.914 458 HH12 ARG 56 HH12 ARG 56 14.075 -8.779 -0.287 459 HH21 ARG 56 HH21 ARG 56 14.020 -5.291 0.054 460 HH22 ARG 56 HH22 ARG 56 14.360 -6.798 0.836 461 H GLN 57 H GLN 57 8.196 -7.540 -3.817 462 HA GLN 57 HA GLN 57 8.448 -8.680 -6.508 463 HB2 GLN 57 HB2 GLN 57 7.522 -9.953 -3.937 464 HB3 GLN 57 HB3 GLN 57 7.797 -10.786 -5.462 465 HG2 GLN 57 HG2 GLN 57 9.913 -9.301 -3.943 466 HG3 GLN 57 HG3 GLN 57 9.606 -11.029 -3.789 467 HE21 GLN 57 HE21 GLN 57 10.731 -8.488 -5.897 468 HE22 GLN 57 HE22 GLN 57 11.550 -9.504 -7.015 469 H ILE 58 H ILE 58 6.333 -6.776 -4.988 470 HA ILE 58 HA ILE 58 4.054 -7.954 -6.408 471 HB ILE 58 HB ILE 58 2.568 -7.116 -4.580 472 HG12 ILE 58 HG12 ILE 58 5.103 -6.952 -2.971 473 HG13 ILE 58 HG13 ILE 58 4.313 -5.543 -3.672 474 HG21 ILE 58 HG21 ILE 58 3.221 -9.472 -4.766 475 HG22 ILE 58 HG22 ILE 58 2.959 -8.983 -3.092 476 HG23 ILE 58 HG23 ILE 58 4.601 -9.162 -3.714 477 HD11 ILE 58 HD11 ILE 58 3.747 -5.834 -1.314 478 HD12 ILE 58 HD12 ILE 58 3.083 -7.429 -1.678 479 HD13 ILE 58 HD13 ILE 58 2.326 -5.986 -2.346 480 H ARG 59 H ARG 59 2.249 -6.297 -6.504 481 HA ARG 59 HA ARG 59 3.234 -3.569 -6.722 482 HB2 ARG 59 HB2 ARG 59 2.139 -5.181 -8.995 483 HB3 ARG 59 HB3 ARG 59 1.920 -3.441 -8.959 484 HG2 ARG 59 HG2 ARG 59 4.559 -4.890 -8.890 485 HG3 ARG 59 HG3 ARG 59 3.861 -4.076 -10.295 486 HD2 ARG 59 HD2 ARG 59 4.587 -2.735 -7.688 487 HD3 ARG 59 HD3 ARG 59 5.571 -2.714 -9.135 488 HE ARG 59 HE ARG 59 3.340 -1.694 -10.094 489 HH11 ARG 59 HH11 ARG 59 4.917 -1.012 -7.024 490 HH12 ARG 59 HH12 ARG 59 4.453 0.653 -7.003 491 HH21 ARG 59 HH21 ARG 59 2.721 0.524 -10.064 492 HH22 ARG 59 HH22 ARG 59 3.192 1.534 -8.745 493 H PHE 60 H PHE 60 1.660 -1.980 -6.684 494 HA PHE 60 HA PHE 60 -0.925 -2.921 -5.628 495 HB2 PHE 60 HB2 PHE 60 0.641 -0.407 -4.897 496 HB3 PHE 60 HB3 PHE 60 -1.004 -0.728 -4.402 497 HD1 PHE 60 HD1 PHE 60 2.210 -2.638 -4.415 498 HD2 PHE 60 HD2 PHE 60 -1.199 -1.342 -2.241 499 HE1 PHE 60 HE1 PHE 60 3.057 -3.787 -2.410 500 HE2 PHE 60 HE2 PHE 60 -0.357 -2.487 -0.236 501 HZ PHE 60 HZ PHE 60 1.767 -3.718 -0.324 502 H ARG 61 H ARG 61 -2.729 -2.250 -6.615 503 HA ARG 61 HA ARG 61 -2.559 0.085 -8.377 504 HB2 ARG 61 HB2 ARG 61 -3.764 -1.019 -10.174 505 HB3 ARG 61 HB3 ARG 61 -2.325 -1.933 -9.764 506 HG2 ARG 61 HG2 ARG 61 -3.739 -3.666 -9.899 507 HG3 ARG 61 HG3 ARG 61 -4.040 -3.200 -8.236 508 HD2 ARG 61 HD2 ARG 61 -6.037 -2.043 -8.825 509 HD3 ARG 61 HD3 ARG 61 -5.671 -2.155 -10.547 510 HE ARG 61 HE ARG 61 -5.801 -4.750 -9.585 511 HH11 ARG 61 HH11 ARG 61 -7.991 -2.027 -9.828 512 HH12 ARG 61 HH12 ARG 61 -9.398 -3.004 -10.048 513 HH21 ARG 61 HH21 ARG 61 -7.661 -6.053 -9.837 514 HH22 ARG 61 HH22 ARG 61 -9.211 -5.312 -10.029 515 H PHE 62 H PHE 62 -4.331 1.350 -8.504 516 HA PHE 62 HA PHE 62 -6.710 0.590 -6.986 517 HB2 PHE 62 HB2 PHE 62 -5.314 1.799 -5.403 518 HB3 PHE 62 HB3 PHE 62 -5.054 3.087 -6.568 519 HD1 PHE 62 HD1 PHE 62 -7.529 1.510 -4.355 520 HD2 PHE 62 HD2 PHE 62 -6.629 4.831 -6.848 521 HE1 PHE 62 HE1 PHE 62 -9.464 2.717 -3.440 522 HE2 PHE 62 HE2 PHE 62 -8.563 6.047 -5.941 523 HZ PHE 62 HZ PHE 62 -9.982 4.989 -4.231 524 H ASP 63 H ASP 63 -8.565 1.389 -7.875 525 HA ASP 63 HA ASP 63 -9.963 2.277 -9.428 526 HB2 ASP 63 HB2 ASP 63 -8.364 4.388 -8.425 527 HB3 ASP 63 HB3 ASP 63 -8.587 4.673 -10.145 528 H GLY 64 H GLY 64 -7.964 0.504 -10.475 529 HA2 GLY 64 HA2 GLY 64 -7.554 -0.256 -12.615 530 HA3 GLY 64 HA3 GLY 64 -8.215 1.255 -13.219 531 H GLN 65 H GLN 65 -6.018 2.310 -11.103 532 HA GLN 65 HA GLN 65 -3.884 2.297 -13.136 533 HB2 GLN 65 HB2 GLN 65 -3.306 4.571 -12.390 534 HB3 GLN 65 HB3 GLN 65 -4.938 4.481 -13.036 535 HG2 GLN 65 HG2 GLN 65 -5.827 4.412 -10.764 536 HG3 GLN 65 HG3 GLN 65 -4.193 4.530 -10.124 537 HE21 GLN 65 HE21 GLN 65 -6.747 6.155 -11.758 538 HE22 GLN 65 HE22 GLN 65 -6.146 7.763 -11.530 539 HA PRO 66 HA PRO 66 -1.286 0.815 -9.879 540 HB2 PRO 66 HB2 PRO 66 1.119 1.331 -10.979 541 HB3 PRO 66 HB3 PRO 66 0.064 0.060 -11.609 542 HG2 PRO 66 HG2 PRO 66 0.482 2.845 -12.628 543 HG3 PRO 66 HG3 PRO 66 0.374 1.326 -13.539 544 HD2 PRO 66 HD2 PRO 66 -1.708 3.077 -13.266 545 HD3 PRO 66 HD3 PRO 66 -1.923 1.326 -13.485 546 H ILE 67 H ILE 67 -0.001 1.633 -8.174 547 HA ILE 67 HA ILE 67 0.555 4.511 -8.260 548 HB ILE 67 HB ILE 67 -0.002 4.681 -5.822 549 HG12 ILE 67 HG12 ILE 67 -0.112 2.097 -5.556 550 HG13 ILE 67 HG13 ILE 67 -1.256 3.085 -4.657 551 HG21 ILE 67 HG21 ILE 67 -2.288 4.149 -7.703 552 HG22 ILE 67 HG22 ILE 67 -1.432 5.674 -7.467 553 HG23 ILE 67 HG23 ILE 67 -2.408 5.002 -6.162 554 HD11 ILE 67 HD11 ILE 67 -1.823 1.629 -7.225 555 HD12 ILE 67 HD12 ILE 67 -2.979 2.591 -6.303 556 HD13 ILE 67 HD13 ILE 67 -2.312 1.114 -5.609 557 H ASN 68 H ASN 68 2.342 5.175 -7.336 558 HA ASN 68 HA ASN 68 4.220 3.124 -6.506 559 HB2 ASN 68 HB2 ASN 68 5.700 5.382 -6.549 560 HB3 ASN 68 HB3 ASN 68 5.427 4.382 -7.967 561 HD21 ASN 68 HD21 ASN 68 4.520 7.283 -6.304 562 HD22 ASN 68 HD22 ASN 68 3.710 8.047 -7.618 563 H GLU 69 H GLU 69 5.515 3.410 -4.640 564 HA GLU 69 HA GLU 69 4.048 4.045 -2.341 565 HB2 GLU 69 HB2 GLU 69 6.351 3.879 -1.232 566 HB3 GLU 69 HB3 GLU 69 5.680 2.451 -2.015 567 HG2 GLU 69 HG2 GLU 69 7.086 2.739 -3.887 568 HG3 GLU 69 HG3 GLU 69 7.634 4.319 -3.327 569 H THR 70 H THR 70 5.815 6.090 -4.379 570 HA THR 70 HA THR 70 6.505 8.062 -2.419 571 HB THR 70 HB THR 70 7.054 9.439 -4.457 572 HG1 THR 70 HG1 THR 70 7.053 8.022 -6.429 573 HG21 THR 70 HG21 THR 70 8.956 8.056 -5.116 574 HG22 THR 70 HG22 THR 70 8.178 6.638 -4.414 575 HG23 THR 70 HG23 THR 70 8.714 7.957 -3.370 576 H ASP 71 H ASP 71 3.718 7.245 -4.201 577 HA ASP 71 HA ASP 71 2.569 9.908 -4.192 578 HB2 ASP 71 HB2 ASP 71 1.933 7.357 -5.454 579 HB3 ASP 71 HB3 ASP 71 0.502 8.114 -4.770 580 H THR 72 H THR 72 0.457 10.300 -3.158 581 HA THR 72 HA THR 72 0.282 8.907 -0.562 582 HB THR 72 HB THR 72 -0.717 11.062 0.277 583 HG1 THR 72 HG1 THR 72 -0.029 12.909 -1.163 584 HG21 THR 72 HG21 THR 72 2.100 11.203 -0.815 585 HG22 THR 72 HG22 THR 72 1.611 10.546 0.750 586 HG23 THR 72 HG23 THR 72 1.435 12.269 0.424 587 HA PRO 73 HA PRO 73 -3.973 7.963 -1.478 588 HB2 PRO 73 HB2 PRO 73 -5.168 8.293 0.960 589 HB3 PRO 73 HB3 PRO 73 -4.165 6.896 0.555 590 HG2 PRO 73 HG2 PRO 73 -3.453 9.360 2.088 591 HG3 PRO 73 HG3 PRO 73 -3.025 7.673 2.421 592 HD2 PRO 73 HD2 PRO 73 -1.298 9.406 1.294 593 HD3 PRO 73 HD3 PRO 73 -1.300 7.679 0.894 594 H ALA 74 H ALA 74 -2.959 11.012 -0.433 595 HA ALA 74 HA ALA 74 -5.587 12.251 -0.753 596 HB1 ALA 74 HB1 ALA 74 -4.112 12.932 1.122 597 HB2 ALA 74 HB2 ALA 74 -4.586 14.266 0.074 598 HB3 ALA 74 HB3 ALA 74 -2.970 13.571 -0.058 599 H GLN 75 H GLN 75 -2.710 11.616 -2.494 600 HA GLN 75 HA GLN 75 -2.648 13.811 -4.240 601 HB2 GLN 75 HB2 GLN 75 -0.945 11.872 -3.859 602 HB3 GLN 75 HB3 GLN 75 -1.868 11.056 -5.116 603 HG2 GLN 75 HG2 GLN 75 -0.040 12.104 -6.172 604 HG3 GLN 75 HG3 GLN 75 -1.471 13.056 -6.567 605 HE21 GLN 75 HE21 GLN 75 1.499 12.950 -4.792 606 HE22 GLN 75 HE22 GLN 75 1.554 14.628 -4.389 607 H LEU 76 H LEU 76 -4.433 10.802 -4.294 608 HA LEU 76 HA LEU 76 -5.793 11.705 -6.721 609 HB2 LEU 76 HB2 LEU 76 -6.620 9.227 -6.757 610 HB3 LEU 76 HB3 LEU 76 -5.029 9.626 -7.348 611 HG LEU 76 HG LEU 76 -5.206 7.505 -5.982 612 HD11 LEU 76 HD11 LEU 76 -3.128 7.827 -4.790 613 HD12 LEU 76 HD12 LEU 76 -3.299 9.575 -4.910 614 HD13 LEU 76 HD13 LEU 76 -3.059 8.611 -6.368 615 HD21 LEU 76 HD21 LEU 76 -6.725 8.184 -4.265 616 HD22 LEU 76 HD22 LEU 76 -5.636 9.470 -3.749 617 HD23 LEU 76 HD23 LEU 76 -5.176 7.787 -3.517 618 H GLU 77 H GLU 77 -6.123 11.822 -3.546 619 HA GLU 77 HA GLU 77 -7.768 11.997 -2.030 620 HB2 GLU 77 HB2 GLU 77 -9.249 13.054 -4.437 621 HB3 GLU 77 HB3 GLU 77 -9.777 13.248 -2.769 622 HG2 GLU 77 HG2 GLU 77 -7.586 14.392 -2.320 623 HG3 GLU 77 HG3 GLU 77 -7.311 14.373 -4.059 624 H MET 78 H MET 78 -7.663 9.550 -2.172 625 HA MET 78 HA MET 78 -10.012 8.235 -3.199 626 HB2 MET 78 HB2 MET 78 -9.122 6.247 -1.932 627 HB3 MET 78 HB3 MET 78 -8.041 6.908 -3.148 628 HG2 MET 78 HG2 MET 78 -6.705 7.972 -1.484 629 HG3 MET 78 HG3 MET 78 -7.858 7.552 -0.219 630 HE1 MET 78 HE1 MET 78 -5.489 4.290 -2.479 631 HE2 MET 78 HE2 MET 78 -5.348 5.993 -2.898 632 HE3 MET 78 HE3 MET 78 -6.877 5.149 -3.144 633 H GLU 79 H GLU 79 -11.144 6.672 -1.531 634 HA GLU 79 HA GLU 79 -12.308 8.424 0.502 635 HB2 GLU 79 HB2 GLU 79 -13.714 7.238 -1.238 636 HB3 GLU 79 HB3 GLU 79 -13.267 5.725 -0.471 637 HG2 GLU 79 HG2 GLU 79 -15.440 6.363 0.278 638 HG3 GLU 79 HG3 GLU 79 -14.312 6.534 1.622 639 H ASP 80 H ASP 80 -12.726 7.550 2.673 640 HA ASP 80 HA ASP 80 -10.527 6.036 3.650 641 HB2 ASP 80 HB2 ASP 80 -11.736 6.083 5.856 642 HB3 ASP 80 HB3 ASP 80 -11.381 7.664 5.164 643 H GLU 81 H GLU 81 -10.409 4.052 4.433 644 HA GLU 81 HA GLU 81 -10.764 1.876 4.710 645 HB2 GLU 81 HB2 GLU 81 -13.687 2.587 4.501 646 HB3 GLU 81 HB3 GLU 81 -13.085 0.984 4.902 647 HG2 GLU 81 HG2 GLU 81 -11.859 2.106 6.827 648 HG3 GLU 81 HG3 GLU 81 -12.851 3.515 6.482 649 H ASP 82 H ASP 82 -10.607 3.281 2.052 650 HA ASP 82 HA ASP 82 -11.963 1.587 0.202 651 HB2 ASP 82 HB2 ASP 82 -10.755 3.993 -0.036 652 HB3 ASP 82 HB3 ASP 82 -9.487 2.946 -0.662 653 H THR 83 H THR 83 -10.370 0.523 -1.559 654 HA THR 83 HA THR 83 -8.407 -1.059 -0.060 655 HB THR 83 HB THR 83 -10.194 -2.422 -2.045 656 HG1 THR 83 HG1 THR 83 -11.425 -1.268 -0.324 657 HG21 THR 83 HG21 THR 83 -8.182 -3.557 -1.152 658 HG22 THR 83 HG22 THR 83 -9.673 -4.368 -0.676 659 HG23 THR 83 HG23 THR 83 -8.818 -3.345 0.481 660 H ILE 84 H ILE 84 -6.783 -2.036 -1.339 661 HA ILE 84 HA ILE 84 -6.498 -0.990 -4.072 662 HB ILE 84 HB ILE 84 -4.391 -1.152 -1.890 663 HG12 ILE 84 HG12 ILE 84 -3.976 1.255 -2.728 664 HG13 ILE 84 HG13 ILE 84 -5.536 1.100 -3.521 665 HG21 ILE 84 HG21 ILE 84 -2.730 -0.469 -3.563 666 HG22 ILE 84 HG22 ILE 84 -3.931 -0.722 -4.831 667 HG23 ILE 84 HG23 ILE 84 -3.377 -2.083 -3.854 668 HD11 ILE 84 HD11 ILE 84 -6.575 0.663 -1.361 669 HD12 ILE 84 HD12 ILE 84 -5.763 2.230 -1.411 670 HD13 ILE 84 HD13 ILE 84 -5.010 0.870 -0.575 671 H ASP 85 H ASP 85 -5.611 -2.475 -5.564 672 HA ASP 85 HA ASP 85 -5.784 -5.258 -4.701 673 HB2 ASP 85 HB2 ASP 85 -6.893 -4.482 -6.794 674 HB3 ASP 85 HB3 ASP 85 -5.285 -4.127 -7.426 675 H VAL 86 H VAL 86 -4.125 -6.602 -4.574 676 HA VAL 86 HA VAL 86 -1.519 -5.597 -5.419 677 HB VAL 86 HB VAL 86 -2.339 -6.926 -2.867 678 HG11 VAL 86 HG11 VAL 86 -0.040 -7.652 -2.422 679 HG12 VAL 86 HG12 VAL 86 0.423 -7.209 -4.067 680 HG13 VAL 86 HG13 VAL 86 -0.725 -8.521 -3.795 681 HG21 VAL 86 HG21 VAL 86 -1.923 -4.540 -2.965 682 HG22 VAL 86 HG22 VAL 86 -0.297 -4.840 -3.582 683 HG23 VAL 86 HG23 VAL 86 -0.730 -5.350 -1.950 684 H PHE 87 H PHE 87 -0.235 -6.908 -6.485 685 HA PHE 87 HA PHE 87 -1.044 -9.677 -6.877 686 HB2 PHE 87 HB2 PHE 87 -0.501 -9.348 -9.395 687 HB3 PHE 87 HB3 PHE 87 -2.076 -8.854 -8.793 688 HD1 PHE 87 HD1 PHE 87 -2.408 -6.389 -8.242 689 HD2 PHE 87 HD2 PHE 87 0.856 -7.840 -10.553 690 HE1 PHE 87 HE1 PHE 87 -2.086 -4.150 -9.158 691 HE2 PHE 87 HE2 PHE 87 1.189 -5.588 -11.490 692 HZ PHE 87 HZ PHE 87 -0.284 -3.735 -10.797 693 H GLN 88 H GLN 88 0.665 -11.032 -7.581 694 HA GLN 88 HA GLN 88 3.288 -9.834 -6.941 695 HB2 GLN 88 HB2 GLN 88 2.756 -12.794 -6.833 696 HB3 GLN 88 HB3 GLN 88 4.018 -11.879 -6.031 697 HG2 GLN 88 HG2 GLN 88 1.838 -10.806 -4.851 698 HG3 GLN 88 HG3 GLN 88 1.242 -12.421 -5.208 699 HE21 GLN 88 HE21 GLN 88 4.553 -11.502 -4.387 700 HE22 GLN 88 HE22 GLN 88 4.629 -12.417 -2.927 701 H GLN 89 H GLN 89 4.314 -9.401 -8.783 702 HA GLN 89 HA GLN 89 4.192 -11.456 -10.858 703 HB2 GLN 89 HB2 GLN 89 4.410 -9.681 -12.538 704 HB3 GLN 89 HB3 GLN 89 2.961 -9.503 -11.564 705 HG2 GLN 89 HG2 GLN 89 3.617 -7.351 -11.511 706 HG3 GLN 89 HG3 GLN 89 4.629 -7.917 -10.184 707 HE21 GLN 89 HE21 GLN 89 6.214 -6.404 -10.492 708 HE22 GLN 89 HE22 GLN 89 7.272 -6.400 -11.858 709 H GLN 90 H GLN 90 6.005 -12.522 -11.045 710 HA GLN 90 HA GLN 90 8.453 -10.982 -11.315 711 HB2 GLN 90 HB2 GLN 90 9.591 -13.089 -10.175 712 HB3 GLN 90 HB3 GLN 90 9.009 -11.743 -9.216 713 HG2 GLN 90 HG2 GLN 90 7.289 -14.150 -9.723 714 HG3 GLN 90 HG3 GLN 90 8.495 -14.142 -8.440 715 HE21 GLN 90 HE21 GLN 90 8.114 -11.314 -7.862 716 HE22 GLN 90 HE22 GLN 90 6.602 -11.181 -7.037 717 H THR 91 H THR 91 7.968 -14.507 -11.329 718 HA THR 91 HA THR 91 8.117 -14.559 -14.226 719 HB THR 91 HB THR 91 9.911 -16.376 -14.059 720 HG1 THR 91 HG1 THR 91 10.176 -16.832 -11.972 721 HG21 THR 91 HG21 THR 91 11.773 -14.744 -13.991 722 HG22 THR 91 HG22 THR 91 10.650 -13.525 -13.383 723 HG23 THR 91 HG23 THR 91 10.432 -14.200 -14.998 724 H GLY 92 H GLY 92 6.973 -16.283 -15.056 725 HA2 GLY 92 HA2 GLY 92 6.602 -18.742 -13.772 726 HA3 GLY 92 HA3 GLY 92 5.236 -17.706 -13.379 727 H GLY 93 H GLY 93 6.568 -19.819 -15.661 728 HA2 GLY 93 HA2 GLY 93 4.860 -20.642 -17.252 729 HA3 GLY 93 HA3 GLY 93 4.570 -18.950 -17.639 Start of MODEL 13 1 H MET 1 H MET 1 3.815 38.556 26.191 2 HA MET 1 HA MET 1 4.449 41.194 25.035 3 HB2 MET 1 HB2 MET 1 5.017 40.002 27.749 4 HB3 MET 1 HB3 MET 1 5.867 41.409 27.131 5 HG2 MET 1 HG2 MET 1 4.147 42.169 28.579 6 HG3 MET 1 HG3 MET 1 3.674 42.564 26.930 7 HE1 MET 1 HE1 MET 1 0.223 41.874 28.597 8 HE2 MET 1 HE2 MET 1 1.173 42.988 27.616 9 HE3 MET 1 HE3 MET 1 1.621 42.690 29.295 10 H ALA 2 H ALA 2 5.342 37.935 25.374 11 HA ALA 2 HA ALA 2 8.136 38.410 24.833 12 HB1 ALA 2 HB1 ALA 2 8.360 35.985 24.876 13 HB2 ALA 2 HB2 ALA 2 6.606 35.810 24.922 14 HB3 ALA 2 HB3 ALA 2 7.454 36.546 26.282 15 H ASP 3 H ASP 3 9.174 38.112 22.919 16 HA ASP 3 HA ASP 3 7.481 38.001 20.537 17 HB2 ASP 3 HB2 ASP 3 10.394 38.750 20.898 18 HB3 ASP 3 HB3 ASP 3 9.583 38.693 19.338 19 H GLU 4 H GLU 4 8.575 35.732 22.345 20 HA GLU 4 HA GLU 4 9.732 34.114 20.183 21 HB2 GLU 4 HB2 GLU 4 10.564 32.629 22.079 22 HB3 GLU 4 HB3 GLU 4 11.339 34.196 21.914 23 HG2 GLU 4 HG2 GLU 4 10.098 35.073 23.769 24 HG3 GLU 4 HG3 GLU 4 9.122 33.609 23.868 25 H LYS 5 H LYS 5 7.955 33.189 19.237 26 HA LYS 5 HA LYS 5 6.522 31.262 20.868 27 HB2 LYS 5 HB2 LYS 5 5.289 33.561 20.786 28 HB3 LYS 5 HB3 LYS 5 4.904 33.117 19.134 29 HG2 LYS 5 HG2 LYS 5 4.172 31.483 21.563 30 HG3 LYS 5 HG3 LYS 5 3.099 32.621 20.758 31 HD2 LYS 5 HD2 LYS 5 3.401 31.256 18.661 32 HD3 LYS 5 HD3 LYS 5 4.244 30.063 19.647 33 HE2 LYS 5 HE2 LYS 5 1.404 31.003 20.029 34 HE3 LYS 5 HE3 LYS 5 1.899 29.457 19.348 35 HZ1 LYS 5 HZ1 LYS 5 2.476 30.361 22.119 36 HZ2 LYS 5 HZ2 LYS 5 2.856 28.850 21.462 37 HZ3 LYS 5 HZ3 LYS 5 1.246 29.291 21.678 38 HA PRO 6 HA PRO 6 7.178 29.541 16.702 39 HB2 PRO 6 HB2 PRO 6 8.489 27.326 17.437 40 HB3 PRO 6 HB3 PRO 6 9.318 28.881 17.331 41 HG2 PRO 6 HG2 PRO 6 8.464 27.362 19.730 42 HG3 PRO 6 HG3 PRO 6 9.817 28.487 19.535 43 HD2 PRO 6 HD2 PRO 6 7.270 29.034 20.681 44 HD3 PRO 6 HD3 PRO 6 8.560 30.199 20.333 45 H LYS 7 H LYS 7 5.647 28.192 15.753 46 HA LYS 7 HA LYS 7 3.931 26.696 17.577 47 HB2 LYS 7 HB2 LYS 7 3.514 27.574 14.722 48 HB3 LYS 7 HB3 LYS 7 2.345 26.665 15.675 49 HG2 LYS 7 HG2 LYS 7 2.165 28.493 17.249 50 HG3 LYS 7 HG3 LYS 7 3.394 29.396 16.369 51 HD2 LYS 7 HD2 LYS 7 0.716 28.553 15.257 52 HD3 LYS 7 HD3 LYS 7 1.103 30.163 15.862 53 HE2 LYS 7 HE2 LYS 7 1.525 30.544 13.662 54 HE3 LYS 7 HE3 LYS 7 3.094 29.876 14.113 55 HZ1 LYS 7 HZ1 LYS 7 2.203 28.882 12.080 56 HZ2 LYS 7 HZ2 LYS 7 0.861 28.315 12.930 57 HZ3 LYS 7 HZ3 LYS 7 2.397 27.723 13.291 58 H GLU 8 H GLU 8 6.610 25.923 16.449 59 HA GLU 8 HA GLU 8 6.079 23.681 14.721 60 HB2 GLU 8 HB2 GLU 8 8.611 24.392 16.209 61 HB3 GLU 8 HB3 GLU 8 8.465 23.252 14.880 62 HG2 GLU 8 HG2 GLU 8 7.833 25.081 13.387 63 HG3 GLU 8 HG3 GLU 8 8.005 26.219 14.723 64 H GLY 9 H GLY 9 7.098 21.499 15.428 65 HA2 GLY 9 HA2 GLY 9 7.219 20.856 18.168 66 HA3 GLY 9 HA3 GLY 9 5.607 20.502 17.561 67 H VAL 10 H VAL 10 5.702 19.269 15.365 68 HA VAL 10 HA VAL 10 7.565 17.052 15.806 69 HB VAL 10 HB VAL 10 5.216 16.449 16.181 70 HG11 VAL 10 HG11 VAL 10 4.128 18.039 14.714 71 HG12 VAL 10 HG12 VAL 10 3.622 16.399 14.311 72 HG13 VAL 10 HG13 VAL 10 4.803 17.230 13.299 73 HG21 VAL 10 HG21 VAL 10 5.129 14.492 14.720 74 HG22 VAL 10 HG22 VAL 10 6.758 14.755 15.343 75 HG23 VAL 10 HG23 VAL 10 6.363 15.207 13.685 76 H LYS 11 H LYS 11 8.730 16.246 14.158 77 HA LYS 11 HA LYS 11 9.304 17.849 11.934 78 HB2 LYS 11 HB2 LYS 11 11.053 16.480 12.670 79 HB3 LYS 11 HB3 LYS 11 10.035 15.052 12.735 80 HG2 LYS 11 HG2 LYS 11 11.671 14.940 10.912 81 HG3 LYS 11 HG3 LYS 11 10.014 14.917 10.312 82 HD2 LYS 11 HD2 LYS 11 10.244 17.402 9.930 83 HD3 LYS 11 HD3 LYS 11 11.967 17.208 10.270 84 HE2 LYS 11 HE2 LYS 11 10.448 15.709 8.148 85 HE3 LYS 11 HE3 LYS 11 11.419 17.152 7.843 86 HZ1 LYS 11 HZ1 LYS 11 12.372 14.504 8.796 87 HZ2 LYS 11 HZ2 LYS 11 13.339 15.887 8.774 88 HZ3 LYS 11 HZ3 LYS 11 12.742 15.256 7.327 89 H THR 12 H THR 12 8.010 14.495 11.746 90 HA THR 12 HA THR 12 6.981 15.082 9.129 91 HB THR 12 HB THR 12 6.640 12.531 10.675 92 HG1 THR 12 HG1 THR 12 8.684 11.992 10.208 93 HG21 THR 12 HG21 THR 12 5.390 12.720 8.569 94 HG22 THR 12 HG22 THR 12 6.672 11.515 8.434 95 HG23 THR 12 HG23 THR 12 6.885 13.112 7.719 96 H GLU 13 H GLU 13 4.789 14.835 8.522 97 HA GLU 13 HA GLU 13 2.916 16.001 10.224 98 HB2 GLU 13 HB2 GLU 13 2.927 14.797 7.529 99 HB3 GLU 13 HB3 GLU 13 1.365 14.967 8.319 100 HG2 GLU 13 HG2 GLU 13 3.275 17.247 8.143 101 HG3 GLU 13 HG3 GLU 13 2.184 16.853 6.806 102 H ASN 14 H ASN 14 2.065 15.072 11.973 103 HA ASN 14 HA ASN 14 0.750 12.497 11.551 104 HB2 ASN 14 HB2 ASN 14 1.012 12.079 14.056 105 HB3 ASN 14 HB3 ASN 14 2.450 11.907 13.070 106 HD21 ASN 14 HD21 ASN 14 1.049 14.954 14.257 107 HD22 ASN 14 HD22 ASN 14 2.392 15.351 15.273 108 H ASN 15 H ASN 15 -1.352 12.573 11.638 109 HA ASN 15 HA ASN 15 -2.867 13.953 13.542 110 HB2 ASN 15 HB2 ASN 15 -3.950 15.619 11.938 111 HB3 ASN 15 HB3 ASN 15 -2.345 16.029 12.535 112 HD21 ASN 15 HD21 ASN 15 -0.697 16.203 11.138 113 HD22 ASN 15 HD22 ASN 15 -0.848 16.092 9.424 114 H ASP 16 H ASP 16 -5.096 13.800 13.162 115 HA ASP 16 HA ASP 16 -6.498 11.736 12.469 116 HB2 ASP 16 HB2 ASP 16 -7.196 14.503 11.558 117 HB3 ASP 16 HB3 ASP 16 -8.260 13.138 11.224 118 H HIS 17 H HIS 17 -6.789 10.290 10.933 119 HA HIS 17 HA HIS 17 -6.081 10.972 8.219 120 HB2 HIS 17 HB2 HIS 17 -4.584 8.928 8.140 121 HB3 HIS 17 HB3 HIS 17 -3.954 10.333 9.001 122 HD1 HIS 17 HD1 HIS 17 -3.766 10.129 11.608 123 HD2 HIS 17 HD2 HIS 17 -4.920 6.662 9.642 124 HE1 HIS 17 HE1 HIS 17 -3.531 8.276 13.298 125 HE2 HIS 17 HE2 HIS 17 -4.000 6.189 12.019 126 H ILE 18 H ILE 18 -6.209 8.679 6.941 127 HA ILE 18 HA ILE 18 -8.915 7.761 7.631 128 HB ILE 18 HB ILE 18 -9.240 7.239 5.242 129 HG12 ILE 18 HG12 ILE 18 -6.660 8.766 4.800 130 HG13 ILE 18 HG13 ILE 18 -6.813 7.015 4.666 131 HG21 ILE 18 HG21 ILE 18 -10.064 9.313 6.171 132 HG22 ILE 18 HG22 ILE 18 -9.522 9.560 4.509 133 HG23 ILE 18 HG23 ILE 18 -8.514 10.095 5.855 134 HD11 ILE 18 HD11 ILE 18 -6.864 8.064 2.486 135 HD12 ILE 18 HD12 ILE 18 -8.232 9.066 2.976 136 HD13 ILE 18 HD13 ILE 18 -8.420 7.317 2.841 137 H ASN 19 H ASN 19 -9.498 5.625 6.645 138 HA ASN 19 HA ASN 19 -7.446 3.676 7.386 139 HB2 ASN 19 HB2 ASN 19 -10.367 3.127 6.851 140 HB3 ASN 19 HB3 ASN 19 -9.223 2.121 7.728 141 HD21 ASN 19 HD21 ASN 19 -11.359 4.819 7.865 142 HD22 ASN 19 HD22 ASN 19 -11.252 5.097 9.565 143 H LEU 20 H LEU 20 -6.717 2.213 5.937 144 HA LEU 20 HA LEU 20 -8.013 2.107 3.302 145 HB2 LEU 20 HB2 LEU 20 -5.218 2.792 3.927 146 HB3 LEU 20 HB3 LEU 20 -5.411 1.583 2.674 147 HG LEU 20 HG LEU 20 -5.215 3.694 1.598 148 HD11 LEU 20 HD11 LEU 20 -7.260 3.853 0.356 149 HD12 LEU 20 HD12 LEU 20 -8.147 3.011 1.618 150 HD13 LEU 20 HD13 LEU 20 -6.914 2.158 0.690 151 HD21 LEU 20 HD21 LEU 20 -5.731 5.145 3.467 152 HD22 LEU 20 HD22 LEU 20 -7.427 4.668 3.394 153 HD23 LEU 20 HD23 LEU 20 -6.708 5.576 2.065 154 H LYS 21 H LYS 21 -7.547 0.154 2.109 155 HA LYS 21 HA LYS 21 -6.726 -2.098 3.794 156 HB2 LYS 21 HB2 LYS 21 -9.181 -1.925 2.065 157 HB3 LYS 21 HB3 LYS 21 -8.578 -3.417 2.767 158 HG2 LYS 21 HG2 LYS 21 -9.011 -2.666 4.953 159 HG3 LYS 21 HG3 LYS 21 -9.340 -1.025 4.394 160 HD2 LYS 21 HD2 LYS 21 -11.430 -2.175 4.907 161 HD3 LYS 21 HD3 LYS 21 -11.309 -1.848 3.179 162 HE2 LYS 21 HE2 LYS 21 -10.593 -4.149 2.785 163 HE3 LYS 21 HE3 LYS 21 -10.684 -4.478 4.517 164 HZ1 LYS 21 HZ1 LYS 21 -13.034 -4.156 4.467 165 HZ2 LYS 21 HZ2 LYS 21 -12.640 -5.238 3.234 166 HZ3 LYS 21 HZ3 LYS 21 -12.999 -3.628 2.862 167 H VAL 22 H VAL 22 -5.825 -3.799 2.666 168 HA VAL 22 HA VAL 22 -5.364 -3.324 -0.197 169 HB VAL 22 HB VAL 22 -3.293 -4.246 1.814 170 HG11 VAL 22 HG11 VAL 22 -3.131 -4.169 -1.189 171 HG12 VAL 22 HG12 VAL 22 -3.167 -5.619 -0.185 172 HG13 VAL 22 HG13 VAL 22 -1.795 -4.516 -0.092 173 HG21 VAL 22 HG21 VAL 22 -3.244 -1.958 -0.148 174 HG22 VAL 22 HG22 VAL 22 -2.048 -2.316 1.099 175 HG23 VAL 22 HG23 VAL 22 -3.668 -1.794 1.552 176 H ALA 23 H ALA 23 -6.185 -4.877 -1.334 177 HA ALA 23 HA ALA 23 -6.754 -7.442 -0.091 178 HB1 ALA 23 HB1 ALA 23 -8.527 -6.277 -1.352 179 HB2 ALA 23 HB2 ALA 23 -8.147 -7.864 -2.016 180 HB3 ALA 23 HB3 ALA 23 -7.544 -6.408 -2.813 181 H GLY 24 H GLY 24 -5.457 -9.055 -0.328 182 HA2 GLY 24 HA2 GLY 24 -3.241 -8.844 -2.191 183 HA3 GLY 24 HA3 GLY 24 -3.417 -10.044 -0.917 184 H GLN 25 H GLN 25 -2.681 -10.629 -3.551 185 HA GLN 25 HA GLN 25 -4.874 -11.547 -5.113 186 HB2 GLN 25 HB2 GLN 25 -3.194 -12.815 -6.417 187 HB3 GLN 25 HB3 GLN 25 -2.750 -11.130 -6.184 188 HG2 GLN 25 HG2 GLN 25 -0.767 -12.253 -5.844 189 HG3 GLN 25 HG3 GLN 25 -1.354 -11.993 -4.204 190 HE21 GLN 25 HE21 GLN 25 -0.296 -13.689 -3.304 191 HE22 GLN 25 HE22 GLN 25 -0.653 -15.344 -3.650 192 H ASP 26 H ASP 26 -3.617 -12.670 -2.265 193 HA ASP 26 HA ASP 26 -4.078 -15.473 -2.603 194 HB2 ASP 26 HB2 ASP 26 -2.447 -14.586 -0.974 195 HB3 ASP 26 HB3 ASP 26 -3.761 -13.828 -0.084 196 H GLY 27 H GLY 27 -6.036 -12.760 -2.077 197 HA2 GLY 27 HA2 GLY 27 -8.408 -12.890 -2.208 198 HA3 GLY 27 HA3 GLY 27 -8.328 -14.516 -1.544 199 H SER 28 H SER 28 -6.364 -12.312 0.057 200 HA SER 28 HA SER 28 -8.402 -11.961 2.143 201 HB2 SER 28 HB2 SER 28 -6.507 -13.552 2.687 202 HB3 SER 28 HB3 SER 28 -5.429 -12.159 2.630 203 HG SER 28 HG SER 28 -7.598 -12.630 4.388 204 H VAL 29 H VAL 29 -7.873 -10.065 3.602 205 HA VAL 29 HA VAL 29 -6.573 -7.925 2.112 206 HB VAL 29 HB VAL 29 -9.008 -7.916 1.567 207 HG11 VAL 29 HG11 VAL 29 -9.315 -7.256 4.491 208 HG12 VAL 29 HG12 VAL 29 -9.917 -8.699 3.669 209 HG13 VAL 29 HG13 VAL 29 -10.597 -7.116 3.286 210 HG21 VAL 29 HG21 VAL 29 -7.689 -5.874 1.408 211 HG22 VAL 29 HG22 VAL 29 -8.024 -5.513 3.101 212 HG23 VAL 29 HG23 VAL 29 -9.337 -5.518 1.922 213 H VAL 30 H VAL 30 -5.513 -6.498 3.367 214 HA VAL 30 HA VAL 30 -5.713 -6.822 6.274 215 HB VAL 30 HB VAL 30 -3.562 -5.506 4.590 216 HG11 VAL 30 HG11 VAL 30 -3.880 -4.434 6.808 217 HG12 VAL 30 HG12 VAL 30 -2.303 -5.190 6.611 218 HG13 VAL 30 HG13 VAL 30 -3.551 -5.991 7.569 219 HG21 VAL 30 HG21 VAL 30 -2.163 -7.363 5.346 220 HG22 VAL 30 HG22 VAL 30 -3.555 -7.927 4.419 221 HG23 VAL 30 HG23 VAL 30 -3.550 -8.067 6.179 222 H GLN 31 H GLN 31 -6.271 -5.102 7.601 223 HA GLN 31 HA GLN 31 -7.131 -2.656 6.234 224 HB2 GLN 31 HB2 GLN 31 -8.002 -3.563 8.949 225 HB3 GLN 31 HB3 GLN 31 -8.781 -2.408 7.877 226 HG2 GLN 31 HG2 GLN 31 -9.235 -4.258 6.297 227 HG3 GLN 31 HG3 GLN 31 -8.597 -5.378 7.495 228 HE21 GLN 31 HE21 GLN 31 -11.163 -3.243 6.668 229 HE22 GLN 31 HE22 GLN 31 -12.268 -3.821 7.853 230 H PHE 32 H PHE 32 -6.191 -0.827 6.793 231 HA PHE 32 HA PHE 32 -4.706 -0.557 9.280 232 HB2 PHE 32 HB2 PHE 32 -2.659 0.183 8.090 233 HB3 PHE 32 HB3 PHE 32 -2.991 -1.543 7.921 234 HD1 PHE 32 HD1 PHE 32 -4.360 -2.189 5.776 235 HD2 PHE 32 HD2 PHE 32 -2.137 1.412 6.199 236 HE1 PHE 32 HE1 PHE 32 -4.302 -1.950 3.347 237 HE2 PHE 32 HE2 PHE 32 -2.067 1.654 3.777 238 HZ PHE 32 HZ PHE 32 -3.146 -0.020 2.337 239 H LYS 33 H LYS 33 -3.681 1.651 9.394 240 HA LYS 33 HA LYS 33 -5.493 3.581 8.112 241 HB2 LYS 33 HB2 LYS 33 -4.219 3.838 10.834 242 HB3 LYS 33 HB3 LYS 33 -5.397 4.926 10.111 243 HG2 LYS 33 HG2 LYS 33 -6.972 2.965 10.030 244 HG3 LYS 33 HG3 LYS 33 -5.813 2.113 11.037 245 HD2 LYS 33 HD2 LYS 33 -6.976 4.780 11.806 246 HD3 LYS 33 HD3 LYS 33 -7.700 3.243 12.279 247 HE2 LYS 33 HE2 LYS 33 -4.898 4.154 12.920 248 HE3 LYS 33 HE3 LYS 33 -6.260 4.151 14.038 249 HZ1 LYS 33 HZ1 LYS 33 -6.402 1.729 13.764 250 HZ2 LYS 33 HZ2 LYS 33 -4.911 2.208 14.397 251 HZ3 LYS 33 HZ3 LYS 33 -5.028 1.756 12.773 252 H ILE 34 H ILE 34 -4.621 5.297 7.074 253 HA ILE 34 HA ILE 34 -1.762 5.833 7.428 254 HB ILE 34 HB ILE 34 -1.903 4.386 5.461 255 HG12 ILE 34 HG12 ILE 34 -1.417 7.244 4.582 256 HG13 ILE 34 HG13 ILE 34 -0.267 6.286 5.505 257 HG21 ILE 34 HG21 ILE 34 -4.200 4.796 4.822 258 HG22 ILE 34 HG22 ILE 34 -3.129 5.077 3.450 259 HG23 ILE 34 HG23 ILE 34 -3.798 6.443 4.341 260 HD11 ILE 34 HD11 ILE 34 0.273 6.356 3.123 261 HD12 ILE 34 HD12 ILE 34 -1.281 5.603 2.750 262 HD13 ILE 34 HD13 ILE 34 -0.065 4.718 3.675 263 H LYS 35 H LYS 35 -1.111 7.962 6.862 264 HA LYS 35 HA LYS 35 -3.213 9.908 7.311 265 HB2 LYS 35 HB2 LYS 35 -0.349 10.636 6.954 266 HB3 LYS 35 HB3 LYS 35 -1.561 11.355 8.014 267 HG2 LYS 35 HG2 LYS 35 -1.510 9.299 9.374 268 HG3 LYS 35 HG3 LYS 35 -0.190 8.720 8.356 269 HD2 LYS 35 HD2 LYS 35 0.794 11.125 9.019 270 HD3 LYS 35 HD3 LYS 35 -0.168 10.788 10.460 271 HE2 LYS 35 HE2 LYS 35 0.968 8.605 10.680 272 HE3 LYS 35 HE3 LYS 35 1.958 9.002 9.278 273 HZ1 LYS 35 HZ1 LYS 35 1.954 10.335 11.922 274 HZ2 LYS 35 HZ2 LYS 35 2.732 10.983 10.568 275 HZ3 LYS 35 HZ3 LYS 35 3.224 9.489 11.194 276 H ARG 36 H ARG 36 -3.552 11.736 6.025 277 HA ARG 36 HA ARG 36 -3.653 11.234 3.287 278 HB2 ARG 36 HB2 ARG 36 -3.706 14.007 4.446 279 HB3 ARG 36 HB3 ARG 36 -4.597 13.380 3.072 280 HG2 ARG 36 HG2 ARG 36 -5.125 12.897 5.993 281 HG3 ARG 36 HG3 ARG 36 -6.153 13.713 4.822 282 HD2 ARG 36 HD2 ARG 36 -5.471 10.776 4.913 283 HD3 ARG 36 HD3 ARG 36 -7.024 11.510 5.301 284 HE ARG 36 HE ARG 36 -5.891 11.125 2.638 285 HH11 ARG 36 HH11 ARG 36 -8.547 12.366 4.602 286 HH12 ARG 36 HH12 ARG 36 -9.646 12.436 3.270 287 HH21 ARG 36 HH21 ARG 36 -7.402 11.214 0.879 288 HH22 ARG 36 HH22 ARG 36 -9.011 11.775 1.178 289 H HIS 37 H HIS 37 -1.379 13.079 5.227 290 HA HIS 37 HA HIS 37 0.148 13.936 2.901 291 HB2 HIS 37 HB2 HIS 37 0.424 14.435 5.858 292 HB3 HIS 37 HB3 HIS 37 1.659 14.945 4.712 293 HD1 HIS 37 HD1 HIS 37 -0.253 16.856 6.521 294 HD2 HIS 37 HD2 HIS 37 -0.605 16.049 2.442 295 HE1 HIS 37 HE1 HIS 37 -1.515 18.785 5.546 296 HE2 HIS 37 HE2 HIS 37 -1.557 18.362 3.067 297 H THR 38 H THR 38 -0.069 11.090 4.258 298 HA THR 38 HA THR 38 2.771 10.581 4.542 299 HB THR 38 HB THR 38 0.334 9.044 5.412 300 HG1 THR 38 HG1 THR 38 2.180 10.699 6.528 301 HG21 THR 38 HG21 THR 38 1.849 7.296 6.236 302 HG22 THR 38 HG22 THR 38 3.218 8.121 5.484 303 HG23 THR 38 HG23 THR 38 1.945 7.432 4.479 304 HA PRO 39 HA PRO 39 2.867 8.828 0.456 305 HB2 PRO 39 HB2 PRO 39 5.237 7.514 0.714 306 HB3 PRO 39 HB3 PRO 39 5.118 9.255 0.430 307 HG2 PRO 39 HG2 PRO 39 5.581 7.765 2.981 308 HG3 PRO 39 HG3 PRO 39 6.347 9.255 2.401 309 HD2 PRO 39 HD2 PRO 39 4.379 9.264 4.240 310 HD3 PRO 39 HD3 PRO 39 4.570 10.570 3.056 311 H LEU 40 H LEU 40 2.644 6.837 -0.591 312 HA LEU 40 HA LEU 40 1.378 4.777 0.843 313 HB2 LEU 40 HB2 LEU 40 2.444 4.893 -1.970 314 HB3 LEU 40 HB3 LEU 40 1.508 3.550 -1.346 315 HG LEU 40 HG LEU 40 0.523 6.385 -1.519 316 HD11 LEU 40 HD11 LEU 40 0.919 5.499 -3.738 317 HD12 LEU 40 HD12 LEU 40 -0.812 5.606 -3.419 318 HD13 LEU 40 HD13 LEU 40 0.007 4.047 -3.335 319 HD21 LEU 40 HD21 LEU 40 -0.563 5.026 0.207 320 HD22 LEU 40 HD22 LEU 40 -0.963 3.827 -1.030 321 HD23 LEU 40 HD23 LEU 40 -1.657 5.444 -1.110 322 H SER 41 H SER 41 4.658 5.442 0.463 323 HA SER 41 HA SER 41 5.900 2.999 0.189 324 HB2 SER 41 HB2 SER 41 7.696 4.015 1.693 325 HB3 SER 41 HB3 SER 41 7.249 4.956 0.269 326 HG SER 41 HG SER 41 7.229 6.380 1.934 327 HH31 ALY 42 HH31 ALY 42 0.025 1.015 10.655 328 HH32 ALY 42 HH32 ALY 42 0.723 0.515 9.101 329 HH33 ALY 42 HH33 ALY 42 -0.946 1.114 9.193 330 HZ ALY 42 HZ ALY 42 -0.024 2.666 7.460 331 HE3 ALY 42 HE3 ALY 42 1.833 4.687 8.008 332 HE2 ALY 42 HE2 ALY 42 2.696 3.165 7.791 333 HD3 ALY 42 HD3 ALY 42 1.638 2.894 5.589 334 HD2 ALY 42 HD2 ALY 42 0.795 4.427 5.816 335 HG3 ALY 42 HG3 ALY 42 2.738 4.764 4.405 336 HG2 ALY 42 HG2 ALY 42 2.993 5.569 5.948 337 HB3 ALY 42 HB3 ALY 42 5.010 4.550 5.675 338 HB2 ALY 42 HB2 ALY 42 4.161 3.313 6.574 339 HCA ALY 42 HCA ALY 42 5.374 2.239 4.806 340 H ALY 42 H ALY 42 4.670 4.459 3.193 341 H LEU 43 H LEU 43 2.510 3.126 3.002 342 HA LEU 43 HA LEU 43 0.735 1.204 4.026 343 HB2 LEU 43 HB2 LEU 43 -0.194 2.952 2.731 344 HB3 LEU 43 HB3 LEU 43 0.901 2.666 1.398 345 HG LEU 43 HG LEU 43 -1.112 0.558 2.097 346 HD11 LEU 43 HD11 LEU 43 -2.683 1.660 0.515 347 HD12 LEU 43 HD12 LEU 43 -1.669 3.099 0.584 348 HD13 LEU 43 HD13 LEU 43 -2.479 2.524 2.037 349 HD21 LEU 43 HD21 LEU 43 -1.041 0.223 -0.350 350 HD22 LEU 43 HD22 LEU 43 0.549 0.063 0.399 351 HD23 LEU 43 HD23 LEU 43 0.122 1.550 -0.477 352 H MET 44 H MET 44 2.912 1.087 1.244 353 HA MET 44 HA MET 44 2.325 -1.532 0.441 354 HB2 MET 44 HB2 MET 44 4.649 0.308 0.046 355 HB3 MET 44 HB3 MET 44 4.801 -1.378 -0.427 356 HG2 MET 44 HG2 MET 44 3.168 -1.211 -2.040 357 HG3 MET 44 HG3 MET 44 2.499 0.282 -1.406 358 HE1 MET 44 HE1 MET 44 3.826 1.468 -4.858 359 HE2 MET 44 HE2 MET 44 2.476 1.480 -3.726 360 HE3 MET 44 HE3 MET 44 2.993 -0.037 -4.463 361 H LYS 45 H LYS 45 4.897 -0.289 2.548 362 HA LYS 45 HA LYS 45 6.050 -2.773 3.133 363 HB2 LYS 45 HB2 LYS 45 7.204 -0.674 3.576 364 HB3 LYS 45 HB3 LYS 45 5.996 -0.232 4.770 365 HG2 LYS 45 HG2 LYS 45 8.041 -0.993 5.830 366 HG3 LYS 45 HG3 LYS 45 6.704 -2.086 6.192 367 HD2 LYS 45 HD2 LYS 45 8.644 -3.408 5.720 368 HD3 LYS 45 HD3 LYS 45 7.535 -3.573 4.359 369 HE2 LYS 45 HE2 LYS 45 8.833 -2.033 3.043 370 HE3 LYS 45 HE3 LYS 45 9.867 -1.657 4.423 371 HZ1 LYS 45 HZ1 LYS 45 10.974 -3.179 2.964 372 HZ2 LYS 45 HZ2 LYS 45 9.680 -4.258 3.001 373 HZ3 LYS 45 HZ3 LYS 45 10.600 -3.990 4.395 374 H ALA 46 H ALA 46 3.497 -0.985 4.728 375 HA ALA 46 HA ALA 46 3.170 -2.520 7.048 376 HB1 ALA 46 HB1 ALA 46 0.914 -1.635 7.192 377 HB2 ALA 46 HB2 ALA 46 0.974 -1.154 5.496 378 HB3 ALA 46 HB3 ALA 46 2.029 -0.370 6.672 379 H TYR 47 H TYR 47 1.434 -2.856 3.943 380 HA TYR 47 HA TYR 47 0.026 -5.173 4.640 381 HB2 TYR 47 HB2 TYR 47 -0.755 -4.071 2.721 382 HB3 TYR 47 HB3 TYR 47 0.849 -3.996 1.997 383 HD1 TYR 47 HD1 TYR 47 -1.977 -6.259 2.776 384 HD2 TYR 47 HD2 TYR 47 1.671 -5.766 0.648 385 HE1 TYR 47 HE1 TYR 47 -2.442 -8.320 1.515 386 HE2 TYR 47 HE2 TYR 47 1.216 -7.814 -0.625 387 HH TYR 47 HH TYR 47 -0.076 -9.853 -0.420 388 H CYS 48 H CYS 48 3.130 -4.706 3.084 389 HA CYS 48 HA CYS 48 3.708 -7.394 2.521 390 HB2 CYS 48 HB2 CYS 48 5.604 -5.105 3.048 391 HB3 CYS 48 HB3 CYS 48 6.075 -6.660 2.368 392 HG CYS 48 HG CYS 48 4.081 -4.290 0.954 393 H GLU 49 H GLU 49 4.332 -5.473 5.419 394 HA GLU 49 HA GLU 49 5.921 -7.418 6.740 395 HB2 GLU 49 HB2 GLU 49 4.205 -5.256 7.956 396 HB3 GLU 49 HB3 GLU 49 5.467 -6.151 8.793 397 HG2 GLU 49 HG2 GLU 49 7.048 -5.204 7.021 398 HG3 GLU 49 HG3 GLU 49 5.729 -4.120 6.613 399 H ARG 50 H ARG 50 2.476 -6.874 6.539 400 HA ARG 50 HA ARG 50 1.698 -8.623 8.634 401 HB2 ARG 50 HB2 ARG 50 0.187 -7.721 6.181 402 HB3 ARG 50 HB3 ARG 50 -0.530 -8.566 7.544 403 HG2 ARG 50 HG2 ARG 50 0.854 -5.907 7.740 404 HG3 ARG 50 HG3 ARG 50 -0.887 -6.117 7.556 405 HD2 ARG 50 HD2 ARG 50 0.762 -7.230 9.818 406 HD3 ARG 50 HD3 ARG 50 -0.198 -5.755 9.887 407 HE ARG 50 HE ARG 50 -1.497 -8.308 9.235 408 HH11 ARG 50 HH11 ARG 50 -1.102 -5.613 11.467 409 HH12 ARG 50 HH12 ARG 50 -2.532 -5.990 12.357 410 HH21 ARG 50 HH21 ARG 50 -3.379 -8.807 10.450 411 HH22 ARG 50 HH22 ARG 50 -3.825 -7.811 11.796 412 H GLN 51 H GLN 51 1.902 -9.069 5.131 413 HA GLN 51 HA GLN 51 1.233 -11.874 5.355 414 HB2 GLN 51 HB2 GLN 51 1.619 -9.958 3.162 415 HB3 GLN 51 HB3 GLN 51 2.174 -11.585 2.800 416 HG2 GLN 51 HG2 GLN 51 -0.105 -11.292 2.063 417 HG3 GLN 51 HG3 GLN 51 -0.032 -12.469 3.369 418 HE21 GLN 51 HE21 GLN 51 0.112 -8.966 3.790 419 HE22 GLN 51 HE22 GLN 51 -1.398 -8.848 4.611 420 H GLY 52 H GLY 52 4.121 -10.002 5.336 421 HA2 GLY 52 HA2 GLY 52 6.197 -10.795 6.069 422 HA3 GLY 52 HA3 GLY 52 5.672 -12.437 5.733 423 H LEU 53 H LEU 53 4.875 -10.623 3.091 424 HA LEU 53 HA LEU 53 7.138 -11.668 1.628 425 HB2 LEU 53 HB2 LEU 53 5.817 -10.878 -0.385 426 HB3 LEU 53 HB3 LEU 53 5.117 -12.165 0.567 427 HG LEU 53 HG LEU 53 3.698 -10.356 1.691 428 HD11 LEU 53 HD11 LEU 53 3.332 -8.321 0.415 429 HD12 LEU 53 HD12 LEU 53 4.621 -8.784 -0.698 430 HD13 LEU 53 HD13 LEU 53 4.998 -8.434 0.987 431 HD21 LEU 53 HD21 LEU 53 2.785 -11.941 0.096 432 HD22 LEU 53 HD22 LEU 53 3.317 -10.925 -1.245 433 HD23 LEU 53 HD23 LEU 53 2.071 -10.346 -0.138 434 H SER 54 H SER 54 7.739 -10.166 -0.366 435 HA SER 54 HA SER 54 8.828 -7.718 0.830 436 HB2 SER 54 HB2 SER 54 9.644 -9.435 -1.495 437 HB3 SER 54 HB3 SER 54 10.343 -7.844 -1.241 438 HG SER 54 HG SER 54 10.577 -8.944 1.067 439 H MET 55 H MET 55 8.465 -5.704 -0.056 440 HA MET 55 HA MET 55 6.145 -5.348 -1.647 441 HB2 MET 55 HB2 MET 55 6.764 -2.940 -1.721 442 HB3 MET 55 HB3 MET 55 6.758 -3.601 -0.095 443 HG2 MET 55 HG2 MET 55 9.041 -3.446 0.125 444 HG3 MET 55 HG3 MET 55 9.322 -3.476 -1.619 445 HE1 MET 55 HE1 MET 55 7.642 0.192 0.644 446 HE2 MET 55 HE2 MET 55 8.012 -1.348 1.419 447 HE3 MET 55 HE3 MET 55 6.674 -1.235 0.277 448 H ARG 56 H ARG 56 9.480 -5.717 -2.454 449 HA ARG 56 HA ARG 56 9.294 -4.602 -5.081 450 HB2 ARG 56 HB2 ARG 56 11.518 -5.461 -5.427 451 HB3 ARG 56 HB3 ARG 56 11.424 -4.788 -3.807 452 HG2 ARG 56 HG2 ARG 56 11.312 -6.953 -2.823 453 HG3 ARG 56 HG3 ARG 56 11.136 -7.720 -4.400 454 HD2 ARG 56 HD2 ARG 56 13.384 -8.046 -3.771 455 HD3 ARG 56 HD3 ARG 56 13.399 -6.756 -4.969 456 HE ARG 56 HE ARG 56 13.244 -5.658 -2.375 457 HH11 ARG 56 HH11 ARG 56 15.489 -7.190 -4.593 458 HH12 ARG 56 HH12 ARG 56 16.899 -6.561 -3.818 459 HH21 ARG 56 HH21 ARG 56 15.138 -4.811 -1.334 460 HH22 ARG 56 HH22 ARG 56 16.694 -5.201 -1.973 461 H GLN 57 H GLN 57 8.140 -7.439 -3.730 462 HA GLN 57 HA GLN 57 8.380 -8.998 -6.206 463 HB2 GLN 57 HB2 GLN 57 7.458 -9.836 -3.453 464 HB3 GLN 57 HB3 GLN 57 7.679 -10.908 -4.832 465 HG2 GLN 57 HG2 GLN 57 9.880 -9.285 -3.582 466 HG3 GLN 57 HG3 GLN 57 9.506 -10.950 -3.142 467 HE21 GLN 57 HE21 GLN 57 10.687 -8.853 -5.665 468 HE22 GLN 57 HE22 GLN 57 11.470 -10.085 -6.575 469 H ILE 58 H ILE 58 6.347 -6.761 -5.087 470 HA ILE 58 HA ILE 58 4.034 -8.042 -6.315 471 HB ILE 58 HB ILE 58 2.541 -7.101 -4.535 472 HG12 ILE 58 HG12 ILE 58 5.100 -6.855 -2.956 473 HG13 ILE 58 HG13 ILE 58 4.225 -5.496 -3.645 474 HG21 ILE 58 HG21 ILE 58 3.179 -9.476 -4.626 475 HG22 ILE 58 HG22 ILE 58 2.870 -8.914 -2.984 476 HG23 ILE 58 HG23 ILE 58 4.528 -9.132 -3.545 477 HD11 ILE 58 HD11 ILE 58 2.298 -6.023 -2.261 478 HD12 ILE 58 HD12 ILE 58 3.744 -5.776 -1.279 479 HD13 ILE 58 HD13 ILE 58 3.157 -7.409 -1.593 480 H ARG 59 H ARG 59 2.204 -6.372 -6.444 481 HA ARG 59 HA ARG 59 3.184 -3.661 -6.909 482 HB2 ARG 59 HB2 ARG 59 2.005 -5.471 -8.988 483 HB3 ARG 59 HB3 ARG 59 1.789 -3.730 -9.103 484 HG2 ARG 59 HG2 ARG 59 4.507 -4.946 -8.784 485 HG3 ARG 59 HG3 ARG 59 3.739 -4.785 -10.366 486 HD2 ARG 59 HD2 ARG 59 3.985 -2.462 -8.485 487 HD3 ARG 59 HD3 ARG 59 5.285 -2.886 -9.587 488 HE ARG 59 HE ARG 59 2.740 -2.641 -10.890 489 HH11 ARG 59 HH11 ARG 59 5.545 -0.835 -9.771 490 HH12 ARG 59 HH12 ARG 59 5.297 0.474 -10.871 491 HH21 ARG 59 HH21 ARG 59 2.434 -0.930 -12.355 492 HH22 ARG 59 HH22 ARG 59 3.515 0.420 -12.364 493 H PHE 60 H PHE 60 1.632 -2.060 -6.751 494 HA PHE 60 HA PHE 60 -0.957 -2.948 -5.646 495 HB2 PHE 60 HB2 PHE 60 0.656 -0.449 -4.968 496 HB3 PHE 60 HB3 PHE 60 -0.988 -0.741 -4.444 497 HD1 PHE 60 HD1 PHE 60 2.267 -2.574 -4.444 498 HD2 PHE 60 HD2 PHE 60 -1.229 -1.451 -2.306 499 HE1 PHE 60 HE1 PHE 60 3.126 -3.712 -2.442 500 HE2 PHE 60 HE2 PHE 60 -0.372 -2.591 -0.301 501 HZ PHE 60 HZ PHE 60 1.810 -3.730 -0.372 502 H ARG 61 H ARG 61 -2.766 -2.278 -6.634 503 HA ARG 61 HA ARG 61 -2.596 0.072 -8.386 504 HB2 ARG 61 HB2 ARG 61 -3.759 -0.994 -10.200 505 HB3 ARG 61 HB3 ARG 61 -2.391 -1.995 -9.751 506 HG2 ARG 61 HG2 ARG 61 -3.881 -3.649 -9.883 507 HG3 ARG 61 HG3 ARG 61 -4.262 -3.108 -8.257 508 HD2 ARG 61 HD2 ARG 61 -6.102 -1.814 -9.033 509 HD3 ARG 61 HD3 ARG 61 -5.656 -2.077 -10.716 510 HE ARG 61 HE ARG 61 -6.367 -4.381 -9.055 511 HH11 ARG 61 HH11 ARG 61 -7.076 -2.293 -11.779 512 HH12 ARG 61 HH12 ARG 61 -8.393 -3.257 -12.344 513 HH21 ARG 61 HH21 ARG 61 -8.126 -5.672 -9.811 514 HH22 ARG 61 HH22 ARG 61 -8.987 -5.182 -11.228 515 H PHE 62 H PHE 62 -4.387 1.341 -8.546 516 HA PHE 62 HA PHE 62 -6.796 0.632 -7.064 517 HB2 PHE 62 HB2 PHE 62 -5.351 1.680 -5.390 518 HB3 PHE 62 HB3 PHE 62 -5.050 3.035 -6.466 519 HD1 PHE 62 HD1 PHE 62 -7.540 1.407 -4.314 520 HD2 PHE 62 HD2 PHE 62 -6.609 4.819 -6.676 521 HE1 PHE 62 HE1 PHE 62 -9.439 2.610 -3.324 522 HE2 PHE 62 HE2 PHE 62 -8.508 6.029 -5.688 523 HZ PHE 62 HZ PHE 62 -9.925 4.922 -4.009 524 H ASP 63 H ASP 63 -8.607 1.715 -7.874 525 HA ASP 63 HA ASP 63 -9.915 2.895 -9.361 526 HB2 ASP 63 HB2 ASP 63 -8.381 4.760 -8.329 527 HB3 ASP 63 HB3 ASP 63 -7.626 4.749 -9.895 528 H GLY 64 H GLY 64 -8.033 0.747 -10.377 529 HA2 GLY 64 HA2 GLY 64 -7.733 -0.100 -12.480 530 HA3 GLY 64 HA3 GLY 64 -8.342 1.422 -13.120 531 H GLN 65 H GLN 65 -6.054 2.458 -11.086 532 HA GLN 65 HA GLN 65 -3.943 2.234 -13.134 533 HB2 GLN 65 HB2 GLN 65 -3.226 4.517 -12.465 534 HB3 GLN 65 HB3 GLN 65 -4.826 4.469 -13.191 535 HG2 GLN 65 HG2 GLN 65 -5.825 4.580 -10.959 536 HG3 GLN 65 HG3 GLN 65 -4.224 4.692 -10.241 537 HE21 GLN 65 HE21 GLN 65 -6.660 6.278 -12.064 538 HE22 GLN 65 HE22 GLN 65 -5.997 7.875 -11.978 539 HA PRO 66 HA PRO 66 -1.346 0.760 -9.872 540 HB2 PRO 66 HB2 PRO 66 1.070 1.224 -11.004 541 HB3 PRO 66 HB3 PRO 66 0.001 -0.068 -11.563 542 HG2 PRO 66 HG2 PRO 66 0.434 2.657 -12.717 543 HG3 PRO 66 HG3 PRO 66 0.288 1.100 -13.552 544 HD2 PRO 66 HD2 PRO 66 -1.765 2.883 -13.350 545 HD3 PRO 66 HD3 PRO 66 -2.007 1.126 -13.452 546 H ILE 67 H ILE 67 -0.124 1.592 -8.152 547 HA ILE 67 HA ILE 67 0.460 4.470 -8.285 548 HB ILE 67 HB ILE 67 -0.088 4.653 -5.842 549 HG12 ILE 67 HG12 ILE 67 -0.182 2.051 -5.599 550 HG13 ILE 67 HG13 ILE 67 -1.293 3.036 -4.657 551 HG21 ILE 67 HG21 ILE 67 -2.514 4.918 -6.193 552 HG22 ILE 67 HG22 ILE 67 -2.344 4.113 -7.755 553 HG23 ILE 67 HG23 ILE 67 -1.526 5.649 -7.455 554 HD11 ILE 67 HD11 ILE 67 -3.057 2.569 -6.270 555 HD12 ILE 67 HD12 ILE 67 -2.383 1.085 -5.594 556 HD13 ILE 67 HD13 ILE 67 -1.929 1.603 -7.218 557 H ASN 68 H ASN 68 2.347 5.101 -7.511 558 HA ASN 68 HA ASN 68 4.112 3.019 -6.490 559 HB2 ASN 68 HB2 ASN 68 5.862 4.933 -6.749 560 HB3 ASN 68 HB3 ASN 68 5.292 4.103 -8.183 561 HD21 ASN 68 HD21 ASN 68 3.594 6.546 -6.308 562 HD22 ASN 68 HD22 ASN 68 3.565 7.739 -7.557 563 H GLU 69 H GLU 69 5.382 3.291 -4.700 564 HA GLU 69 HA GLU 69 4.158 4.113 -2.395 565 HB2 GLU 69 HB2 GLU 69 6.576 4.059 -1.461 566 HB3 GLU 69 HB3 GLU 69 5.799 2.588 -2.027 567 HG2 GLU 69 HG2 GLU 69 7.847 2.405 -3.002 568 HG3 GLU 69 HG3 GLU 69 6.949 3.211 -4.271 569 H THR 70 H THR 70 5.915 6.088 -4.593 570 HA THR 70 HA THR 70 6.558 8.134 -2.758 571 HB THR 70 HB THR 70 6.950 9.531 -4.812 572 HG1 THR 70 HG1 THR 70 5.763 8.809 -6.453 573 HG21 THR 70 HG21 THR 70 8.138 6.769 -4.813 574 HG22 THR 70 HG22 THR 70 8.707 8.131 -3.836 575 HG23 THR 70 HG23 THR 70 8.838 8.187 -5.598 576 H ASP 71 H ASP 71 3.679 7.195 -4.226 577 HA ASP 71 HA ASP 71 2.454 9.829 -4.306 578 HB2 ASP 71 HB2 ASP 71 1.651 7.089 -5.163 579 HB3 ASP 71 HB3 ASP 71 0.368 8.247 -4.890 580 H THR 72 H THR 72 0.426 10.272 -3.180 581 HA THR 72 HA THR 72 0.306 8.953 -0.544 582 HB THR 72 HB THR 72 -0.582 11.155 0.298 583 HG1 THR 72 HG1 THR 72 0.554 12.634 -1.684 584 HG21 THR 72 HG21 THR 72 1.709 10.592 0.764 585 HG22 THR 72 HG22 THR 72 1.636 12.298 0.319 586 HG23 THR 72 HG23 THR 72 2.211 11.105 -0.852 587 HA PRO 73 HA PRO 73 -3.990 8.116 -1.310 588 HB2 PRO 73 HB2 PRO 73 -5.055 8.458 1.187 589 HB3 PRO 73 HB3 PRO 73 -4.120 7.037 0.712 590 HG2 PRO 73 HG2 PRO 73 -3.242 9.453 2.247 591 HG3 PRO 73 HG3 PRO 73 -2.856 7.743 2.518 592 HD2 PRO 73 HD2 PRO 73 -1.136 9.439 1.327 593 HD3 PRO 73 HD3 PRO 73 -1.227 7.720 0.897 594 H ALA 74 H ALA 74 -2.898 11.170 -0.339 595 HA ALA 74 HA ALA 74 -5.548 12.398 -0.427 596 HB1 ALA 74 HB1 ALA 74 -4.475 14.416 0.319 597 HB2 ALA 74 HB2 ALA 74 -2.881 13.716 0.046 598 HB3 ALA 74 HB3 ALA 74 -3.918 13.073 1.317 599 H GLN 75 H GLN 75 -2.674 12.007 -2.322 600 HA GLN 75 HA GLN 75 -2.918 14.173 -4.065 601 HB2 GLN 75 HB2 GLN 75 -0.911 12.770 -3.848 602 HB3 GLN 75 HB3 GLN 75 -1.767 11.442 -4.613 603 HG2 GLN 75 HG2 GLN 75 -2.032 12.872 -6.632 604 HG3 GLN 75 HG3 GLN 75 -0.992 14.065 -5.853 605 HE21 GLN 75 HE21 GLN 75 0.654 12.046 -4.570 606 HE22 GLN 75 HE22 GLN 75 1.632 11.339 -5.813 607 H LEU 76 H LEU 76 -4.350 10.952 -4.181 608 HA LEU 76 HA LEU 76 -5.724 11.737 -6.632 609 HB2 LEU 76 HB2 LEU 76 -6.386 9.194 -6.629 610 HB3 LEU 76 HB3 LEU 76 -4.836 9.716 -7.233 611 HG LEU 76 HG LEU 76 -4.835 7.612 -5.846 612 HD11 LEU 76 HD11 LEU 76 -3.105 9.877 -4.879 613 HD12 LEU 76 HD12 LEU 76 -2.784 8.817 -6.253 614 HD13 LEU 76 HD13 LEU 76 -2.796 8.161 -4.614 615 HD21 LEU 76 HD21 LEU 76 -5.418 9.556 -3.617 616 HD22 LEU 76 HD22 LEU 76 -4.828 7.914 -3.379 617 HD23 LEU 76 HD23 LEU 76 -6.404 8.182 -4.123 618 H GLU 77 H GLU 77 -6.186 11.910 -3.498 619 HA GLU 77 HA GLU 77 -7.918 12.053 -2.073 620 HB2 GLU 77 HB2 GLU 77 -9.339 12.838 -4.616 621 HB3 GLU 77 HB3 GLU 77 -9.941 13.140 -2.992 622 HG2 GLU 77 HG2 GLU 77 -8.069 14.575 -2.514 623 HG3 GLU 77 HG3 GLU 77 -7.342 14.194 -4.073 624 H MET 78 H MET 78 -7.615 9.550 -2.185 625 HA MET 78 HA MET 78 -9.860 8.108 -3.249 626 HB2 MET 78 HB2 MET 78 -8.913 6.182 -1.932 627 HB3 MET 78 HB3 MET 78 -7.823 6.885 -3.117 628 HG2 MET 78 HG2 MET 78 -6.613 8.044 -1.407 629 HG3 MET 78 HG3 MET 78 -7.789 7.544 -0.190 630 HE1 MET 78 HE1 MET 78 -6.727 5.089 -3.014 631 HE2 MET 78 HE2 MET 78 -5.249 4.367 -2.377 632 HE3 MET 78 HE3 MET 78 -5.256 6.054 -2.887 633 H GLU 79 H GLU 79 -11.102 6.620 -1.716 634 HA GLU 79 HA GLU 79 -12.369 8.353 0.244 635 HB2 GLU 79 HB2 GLU 79 -13.128 5.550 -0.585 636 HB3 GLU 79 HB3 GLU 79 -14.130 6.700 0.285 637 HG2 GLU 79 HG2 GLU 79 -13.162 7.014 -2.543 638 HG3 GLU 79 HG3 GLU 79 -14.769 6.478 -2.060 639 H ASP 80 H ASP 80 -12.995 7.385 2.381 640 HA ASP 80 HA ASP 80 -10.692 6.065 3.508 641 HB2 ASP 80 HB2 ASP 80 -11.733 6.375 5.682 642 HB3 ASP 80 HB3 ASP 80 -11.768 7.892 4.788 643 H GLU 81 H GLU 81 -10.608 4.082 4.325 644 HA GLU 81 HA GLU 81 -11.058 1.918 4.719 645 HB2 GLU 81 HB2 GLU 81 -13.972 2.543 4.200 646 HB3 GLU 81 HB3 GLU 81 -13.335 1.084 4.945 647 HG2 GLU 81 HG2 GLU 81 -12.415 2.549 6.771 648 HG3 GLU 81 HG3 GLU 81 -13.331 3.873 6.060 649 H ASP 82 H ASP 82 -10.901 3.348 1.975 650 HA ASP 82 HA ASP 82 -12.094 1.593 0.111 651 HB2 ASP 82 HB2 ASP 82 -10.823 4.010 -0.083 652 HB3 ASP 82 HB3 ASP 82 -9.611 2.916 -0.734 653 H THR 83 H THR 83 -10.481 0.503 -1.581 654 HA THR 83 HA THR 83 -8.528 -1.058 -0.044 655 HB THR 83 HB THR 83 -10.299 -2.445 -2.032 656 HG1 THR 83 HG1 THR 83 -11.577 -1.306 -0.357 657 HG21 THR 83 HG21 THR 83 -8.934 -3.347 0.508 658 HG22 THR 83 HG22 THR 83 -8.299 -3.578 -1.126 659 HG23 THR 83 HG23 THR 83 -9.793 -4.383 -0.635 660 H ILE 84 H ILE 84 -6.869 -2.021 -1.297 661 HA ILE 84 HA ILE 84 -6.575 -0.970 -4.032 662 HB ILE 84 HB ILE 84 -4.472 -1.201 -1.850 663 HG12 ILE 84 HG12 ILE 84 -4.000 1.200 -2.640 664 HG13 ILE 84 HG13 ILE 84 -5.533 1.092 -3.487 665 HG21 ILE 84 HG21 ILE 84 -3.476 -2.142 -3.824 666 HG22 ILE 84 HG22 ILE 84 -2.790 -0.543 -3.525 667 HG23 ILE 84 HG23 ILE 84 -3.999 -0.762 -4.788 668 HD11 ILE 84 HD11 ILE 84 -6.669 0.682 -1.381 669 HD12 ILE 84 HD12 ILE 84 -5.786 2.213 -1.370 670 HD13 ILE 84 HD13 ILE 84 -5.128 0.805 -0.529 671 H ASP 85 H ASP 85 -5.641 -2.440 -5.538 672 HA ASP 85 HA ASP 85 -5.892 -5.226 -4.694 673 HB2 ASP 85 HB2 ASP 85 -7.019 -4.437 -6.768 674 HB3 ASP 85 HB3 ASP 85 -5.421 -4.106 -7.431 675 H VAL 86 H VAL 86 -4.261 -6.569 -4.526 676 HA VAL 86 HA VAL 86 -1.640 -5.640 -5.424 677 HB VAL 86 HB VAL 86 -2.430 -6.910 -2.833 678 HG11 VAL 86 HG11 VAL 86 -0.822 -8.513 -3.766 679 HG12 VAL 86 HG12 VAL 86 -0.125 -7.625 -2.410 680 HG13 VAL 86 HG13 VAL 86 0.317 -7.200 -4.065 681 HG21 VAL 86 HG21 VAL 86 -2.022 -4.526 -2.972 682 HG22 VAL 86 HG22 VAL 86 -0.415 -4.827 -3.629 683 HG23 VAL 86 HG23 VAL 86 -0.797 -5.311 -1.978 684 H PHE 87 H PHE 87 -0.441 -6.930 -6.541 685 HA PHE 87 HA PHE 87 -1.159 -9.741 -6.855 686 HB2 PHE 87 HB2 PHE 87 -0.713 -9.401 -9.379 687 HB3 PHE 87 HB3 PHE 87 -2.281 -8.908 -8.740 688 HD1 PHE 87 HD1 PHE 87 -2.615 -6.452 -8.201 689 HD2 PHE 87 HD2 PHE 87 0.643 -7.890 -10.519 690 HE1 PHE 87 HE1 PHE 87 -2.281 -4.203 -9.097 691 HE2 PHE 87 HE2 PHE 87 0.987 -5.633 -11.431 692 HZ PHE 87 HZ PHE 87 -0.479 -3.784 -10.723 693 H GLN 88 H GLN 88 0.625 -11.051 -7.565 694 HA GLN 88 HA GLN 88 3.175 -9.670 -7.076 695 HB2 GLN 88 HB2 GLN 88 2.951 -12.625 -6.781 696 HB3 GLN 88 HB3 GLN 88 3.977 -11.489 -5.920 697 HG2 GLN 88 HG2 GLN 88 1.723 -10.654 -4.896 698 HG3 GLN 88 HG3 GLN 88 1.122 -12.210 -5.440 699 HE21 GLN 88 HE21 GLN 88 4.356 -11.533 -4.212 700 HE22 GLN 88 HE22 GLN 88 4.214 -12.545 -2.816 701 H GLN 89 H GLN 89 4.147 -9.291 -8.917 702 HA GLN 89 HA GLN 89 3.811 -10.994 -11.200 703 HB2 GLN 89 HB2 GLN 89 5.690 -8.651 -10.891 704 HB3 GLN 89 HB3 GLN 89 5.119 -9.366 -12.394 705 HG2 GLN 89 HG2 GLN 89 2.839 -8.650 -11.859 706 HG3 GLN 89 HG3 GLN 89 3.428 -7.913 -10.370 707 HE21 GLN 89 HE21 GLN 89 2.063 -6.676 -12.560 708 HE22 GLN 89 HE22 GLN 89 3.112 -5.452 -13.190 709 H GLN 90 H GLN 90 4.705 -12.902 -10.138 710 HA GLN 90 HA GLN 90 7.613 -13.025 -10.444 711 HB2 GLN 90 HB2 GLN 90 5.953 -14.520 -8.397 712 HB3 GLN 90 HB3 GLN 90 7.685 -14.695 -8.637 713 HG2 GLN 90 HG2 GLN 90 6.217 -12.280 -7.603 714 HG3 GLN 90 HG3 GLN 90 7.324 -13.327 -6.718 715 HE21 GLN 90 HE21 GLN 90 9.151 -13.502 -9.011 716 HE22 GLN 90 HE22 GLN 90 9.966 -11.987 -9.075 717 H THR 91 H THR 91 7.829 -14.062 -12.350 718 HA THR 91 HA THR 91 6.958 -16.767 -12.581 719 HB THR 91 HB THR 91 4.857 -15.556 -13.190 720 HG1 THR 91 HG1 THR 91 4.510 -16.726 -15.088 721 HG21 THR 91 HG21 THR 91 6.508 -14.488 -15.486 722 HG22 THR 91 HG22 THR 91 5.844 -13.538 -14.157 723 HG23 THR 91 HG23 THR 91 4.762 -14.315 -15.312 724 H GLY 92 H GLY 92 7.684 -17.691 -14.728 725 HA2 GLY 92 HA2 GLY 92 10.320 -16.821 -15.318 726 HA3 GLY 92 HA3 GLY 92 9.420 -18.054 -16.189 727 H GLY 93 H GLY 93 7.283 -16.663 -17.184 728 HA2 GLY 93 HA2 GLY 93 6.752 -14.641 -18.368 729 HA3 GLY 93 HA3 GLY 93 8.475 -14.393 -18.625 Start of MODEL 14 1 H MET 1 H MET 1 18.609 32.039 13.698 2 HA MET 1 HA MET 1 17.967 29.186 13.346 3 HB2 MET 1 HB2 MET 1 18.194 29.001 15.778 4 HB3 MET 1 HB3 MET 1 19.702 29.508 15.036 5 HG2 MET 1 HG2 MET 1 19.231 31.820 15.705 6 HG3 MET 1 HG3 MET 1 17.743 31.277 16.482 7 HE1 MET 1 HE1 MET 1 18.448 32.361 18.764 8 HE2 MET 1 HE2 MET 1 19.940 32.958 18.037 9 HE3 MET 1 HE3 MET 1 19.994 32.074 19.561 10 H ALA 2 H ALA 2 16.768 32.278 13.593 11 HA ALA 2 HA ALA 2 14.544 32.291 15.119 12 HB1 ALA 2 HB1 ALA 2 13.484 33.784 13.531 13 HB2 ALA 2 HB2 ALA 2 14.573 33.234 12.256 14 HB3 ALA 2 HB3 ALA 2 15.211 34.135 13.632 15 H ASP 3 H ASP 3 13.198 30.681 15.511 16 HA ASP 3 HA ASP 3 12.062 29.192 13.247 17 HB2 ASP 3 HB2 ASP 3 11.766 27.308 14.787 18 HB3 ASP 3 HB3 ASP 3 13.454 27.789 14.683 19 H GLU 4 H GLU 4 11.090 31.703 14.314 20 HA GLU 4 HA GLU 4 8.835 31.242 15.979 21 HB2 GLU 4 HB2 GLU 4 8.135 33.529 15.214 22 HB3 GLU 4 HB3 GLU 4 9.741 33.450 15.923 23 HG2 GLU 4 HG2 GLU 4 10.784 33.614 13.807 24 HG3 GLU 4 HG3 GLU 4 9.257 33.366 12.963 25 H LYS 5 H LYS 5 9.427 31.009 12.571 26 HA LYS 5 HA LYS 5 6.726 30.011 12.193 27 HB2 LYS 5 HB2 LYS 5 6.736 32.342 11.359 28 HB3 LYS 5 HB3 LYS 5 8.109 31.967 10.334 29 HG2 LYS 5 HG2 LYS 5 6.146 31.973 8.978 30 HG3 LYS 5 HG3 LYS 5 6.693 30.304 9.137 31 HD2 LYS 5 HD2 LYS 5 4.303 30.343 9.375 32 HD3 LYS 5 HD3 LYS 5 5.006 29.999 10.956 33 HE2 LYS 5 HE2 LYS 5 4.714 32.335 11.602 34 HE3 LYS 5 HE3 LYS 5 4.058 32.706 10.008 35 HZ1 LYS 5 HZ1 LYS 5 2.293 32.424 11.606 36 HZ2 LYS 5 HZ2 LYS 5 2.850 30.886 12.020 37 HZ3 LYS 5 HZ3 LYS 5 2.231 31.174 10.474 38 HA PRO 6 HA PRO 6 9.897 27.074 10.740 39 HB2 PRO 6 HB2 PRO 6 8.371 24.856 11.100 40 HB3 PRO 6 HB3 PRO 6 9.266 25.629 12.414 41 HG2 PRO 6 HG2 PRO 6 6.370 25.869 11.698 42 HG3 PRO 6 HG3 PRO 6 7.115 25.687 13.298 43 HD2 PRO 6 HD2 PRO 6 6.266 28.070 12.345 44 HD3 PRO 6 HD3 PRO 6 7.663 27.922 13.430 45 H LYS 7 H LYS 7 9.795 25.331 9.009 46 HA LYS 7 HA LYS 7 7.918 26.144 6.906 47 HB2 LYS 7 HB2 LYS 7 9.542 25.160 5.361 48 HB3 LYS 7 HB3 LYS 7 10.326 26.347 6.392 49 HG2 LYS 7 HG2 LYS 7 11.159 24.496 7.813 50 HG3 LYS 7 HG3 LYS 7 10.452 23.349 6.677 51 HD2 LYS 7 HD2 LYS 7 12.749 23.532 6.106 52 HD3 LYS 7 HD3 LYS 7 11.858 24.441 4.884 53 HE2 LYS 7 HE2 LYS 7 13.797 25.707 5.551 54 HE3 LYS 7 HE3 LYS 7 12.353 26.524 6.135 55 HZ1 LYS 7 HZ1 LYS 7 14.079 26.476 7.816 56 HZ2 LYS 7 HZ2 LYS 7 14.141 24.791 7.761 57 HZ3 LYS 7 HZ3 LYS 7 12.752 25.566 8.326 58 H GLU 8 H GLU 8 7.972 24.097 9.284 59 HA GLU 8 HA GLU 8 6.581 21.969 7.879 60 HB2 GLU 8 HB2 GLU 8 7.855 20.305 9.274 61 HB3 GLU 8 HB3 GLU 8 8.809 21.104 8.029 62 HG2 GLU 8 HG2 GLU 8 9.655 22.673 9.749 63 HG3 GLU 8 HG3 GLU 8 8.800 21.736 10.971 64 H GLY 9 H GLY 9 5.397 20.580 9.527 65 HA2 GLY 9 HA2 GLY 9 5.106 21.767 12.156 66 HA3 GLY 9 HA3 GLY 9 3.698 21.901 11.111 67 H VAL 10 H VAL 10 6.054 19.392 12.033 68 HA VAL 10 HA VAL 10 3.753 17.677 12.597 69 HB VAL 10 HB VAL 10 4.589 16.870 10.500 70 HG11 VAL 10 HG11 VAL 10 7.320 16.737 11.764 71 HG12 VAL 10 HG12 VAL 10 6.794 17.878 10.525 72 HG13 VAL 10 HG13 VAL 10 6.901 16.156 10.151 73 HG21 VAL 10 HG21 VAL 10 3.924 15.145 12.067 74 HG22 VAL 10 HG22 VAL 10 5.548 15.100 12.748 75 HG23 VAL 10 HG23 VAL 10 5.275 14.572 11.086 76 H LYS 11 H LYS 11 3.737 17.596 14.712 77 HA LYS 11 HA LYS 11 6.238 17.100 16.177 78 HB2 LYS 11 HB2 LYS 11 4.943 19.016 16.943 79 HB3 LYS 11 HB3 LYS 11 3.518 18.003 17.121 80 HG2 LYS 11 HG2 LYS 11 5.427 16.725 18.653 81 HG3 LYS 11 HG3 LYS 11 5.716 18.440 18.963 82 HD2 LYS 11 HD2 LYS 11 3.109 16.945 19.273 83 HD3 LYS 11 HD3 LYS 11 4.134 17.548 20.573 84 HE2 LYS 11 HE2 LYS 11 2.741 19.249 18.512 85 HE3 LYS 11 HE3 LYS 11 2.182 18.980 20.159 86 HZ1 LYS 11 HZ1 LYS 11 3.389 21.081 19.895 87 HZ2 LYS 11 HZ2 LYS 11 4.776 20.233 19.441 88 HZ3 LYS 11 HZ3 LYS 11 4.148 20.050 20.994 89 H THR 12 H THR 12 3.041 15.874 15.501 90 HA THR 12 HA THR 12 3.766 13.307 16.606 91 HB THR 12 HB THR 12 1.042 13.795 17.325 92 HG1 THR 12 HG1 THR 12 1.400 15.971 17.536 93 HG21 THR 12 HG21 THR 12 3.509 13.482 19.040 94 HG22 THR 12 HG22 THR 12 2.553 12.160 18.374 95 HG23 THR 12 HG23 THR 12 1.846 13.240 19.573 96 H GLU 13 H GLU 13 2.161 11.638 15.859 97 HA GLU 13 HA GLU 13 0.860 12.510 13.370 98 HB2 GLU 13 HB2 GLU 13 2.454 9.987 13.797 99 HB3 GLU 13 HB3 GLU 13 1.490 10.328 12.369 100 HG2 GLU 13 HG2 GLU 13 2.902 12.308 11.939 101 HG3 GLU 13 HG3 GLU 13 3.900 11.854 13.320 102 H ASN 14 H ASN 14 -0.643 10.731 12.528 103 HA ASN 14 HA ASN 14 -2.293 9.221 12.696 104 HB2 ASN 14 HB2 ASN 14 -1.438 8.937 15.575 105 HB3 ASN 14 HB3 ASN 14 -2.791 8.069 14.865 106 HD21 ASN 14 HD21 ASN 14 0.620 8.290 15.162 107 HD22 ASN 14 HD22 ASN 14 1.014 6.873 14.263 108 H ASN 15 H ASN 15 -2.206 12.141 13.648 109 HA ASN 15 HA ASN 15 -4.571 12.389 15.230 110 HB2 ASN 15 HB2 ASN 15 -3.577 14.680 13.589 111 HB3 ASN 15 HB3 ASN 15 -4.184 14.670 15.238 112 HD21 ASN 15 HD21 ASN 15 -2.771 13.626 16.842 113 HD22 ASN 15 HD22 ASN 15 -1.068 13.829 16.684 114 H ASP 16 H ASP 16 -4.027 13.790 11.980 115 HA ASP 16 HA ASP 16 -6.803 13.075 11.322 116 HB2 ASP 16 HB2 ASP 16 -4.980 15.040 9.933 117 HB3 ASP 16 HB3 ASP 16 -6.682 14.759 9.585 118 H HIS 17 H HIS 17 -7.129 11.435 9.836 119 HA HIS 17 HA HIS 17 -5.423 10.989 7.686 120 HB2 HIS 17 HB2 HIS 17 -4.465 8.887 8.435 121 HB3 HIS 17 HB3 HIS 17 -3.933 10.196 9.489 122 HD1 HIS 17 HD1 HIS 17 -5.586 10.370 11.781 123 HD2 HIS 17 HD2 HIS 17 -5.318 6.782 9.754 124 HE1 HIS 17 HE1 HIS 17 -6.348 8.651 13.415 125 HE2 HIS 17 HE2 HIS 17 -6.600 6.593 12.008 126 H ILE 18 H ILE 18 -5.979 8.566 6.941 127 HA ILE 18 HA ILE 18 -8.753 7.935 7.656 128 HB ILE 18 HB ILE 18 -9.242 7.300 5.320 129 HG12 ILE 18 HG12 ILE 18 -6.766 8.889 4.577 130 HG13 ILE 18 HG13 ILE 18 -6.832 7.126 4.596 131 HG21 ILE 18 HG21 ILE 18 -9.599 9.604 4.485 132 HG22 ILE 18 HG22 ILE 18 -8.590 10.199 5.807 133 HG23 ILE 18 HG23 ILE 18 -10.105 9.366 6.159 134 HD11 ILE 18 HD11 ILE 18 -8.582 7.198 2.882 135 HD12 ILE 18 HD12 ILE 18 -7.097 7.982 2.351 136 HD13 ILE 18 HD13 ILE 18 -8.476 8.959 2.861 137 H ASN 19 H ASN 19 -9.361 5.718 6.735 138 HA ASN 19 HA ASN 19 -7.161 3.899 7.393 139 HB2 ASN 19 HB2 ASN 19 -10.123 3.300 7.198 140 HB3 ASN 19 HB3 ASN 19 -8.875 2.235 7.834 141 HD21 ASN 19 HD21 ASN 19 -10.838 5.021 8.414 142 HD22 ASN 19 HD22 ASN 19 -10.474 5.187 10.084 143 H LEU 20 H LEU 20 -6.580 2.289 6.003 144 HA LEU 20 HA LEU 20 -7.976 2.133 3.403 145 HB2 LEU 20 HB2 LEU 20 -5.158 2.822 3.921 146 HB3 LEU 20 HB3 LEU 20 -5.391 1.588 2.701 147 HG LEU 20 HG LEU 20 -5.231 3.664 1.562 148 HD11 LEU 20 HD11 LEU 20 -8.171 3.048 1.726 149 HD12 LEU 20 HD12 LEU 20 -6.999 2.138 0.776 150 HD13 LEU 20 HD13 LEU 20 -7.312 3.832 0.401 151 HD21 LEU 20 HD21 LEU 20 -5.628 5.168 3.415 152 HD22 LEU 20 HD22 LEU 20 -7.332 4.719 3.440 153 HD23 LEU 20 HD23 LEU 20 -6.668 5.583 2.053 154 H LYS 21 H LYS 21 -7.486 0.166 2.219 155 HA LYS 21 HA LYS 21 -6.618 -2.071 3.895 156 HB2 LYS 21 HB2 LYS 21 -9.166 -1.883 2.310 157 HB3 LYS 21 HB3 LYS 21 -8.526 -3.395 2.932 158 HG2 LYS 21 HG2 LYS 21 -8.845 -2.731 5.155 159 HG3 LYS 21 HG3 LYS 21 -9.137 -1.055 4.693 160 HD2 LYS 21 HD2 LYS 21 -11.227 -2.159 5.279 161 HD3 LYS 21 HD3 LYS 21 -11.209 -1.731 3.570 162 HE2 LYS 21 HE2 LYS 21 -10.606 -4.045 3.010 163 HE3 LYS 21 HE3 LYS 21 -10.642 -4.466 4.724 164 HZ1 LYS 21 HZ1 LYS 21 -12.708 -5.071 3.582 165 HZ2 LYS 21 HZ2 LYS 21 -12.959 -3.459 3.149 166 HZ3 LYS 21 HZ3 LYS 21 -12.994 -3.908 4.775 167 H VAL 22 H VAL 22 -5.741 -3.773 2.729 168 HA VAL 22 HA VAL 22 -5.400 -3.274 -0.149 169 HB VAL 22 HB VAL 22 -3.261 -4.261 1.755 170 HG11 VAL 22 HG11 VAL 22 -3.170 -3.993 -1.236 171 HG12 VAL 22 HG12 VAL 22 -3.213 -5.508 -0.332 172 HG13 VAL 22 HG13 VAL 22 -1.823 -4.430 -0.184 173 HG21 VAL 22 HG21 VAL 22 -3.656 -1.803 1.660 174 HG22 VAL 22 HG22 VAL 22 -3.285 -1.860 -0.063 175 HG23 VAL 22 HG23 VAL 22 -2.050 -2.289 1.120 176 H ALA 23 H ALA 23 -6.176 -4.833 -1.324 177 HA ALA 23 HA ALA 23 -6.663 -7.435 -0.104 178 HB1 ALA 23 HB1 ALA 23 -8.545 -6.334 -1.240 179 HB2 ALA 23 HB2 ALA 23 -8.108 -7.860 -2.007 180 HB3 ALA 23 HB3 ALA 23 -7.620 -6.332 -2.745 181 H GLY 24 H GLY 24 -5.384 -9.054 -0.522 182 HA2 GLY 24 HA2 GLY 24 -3.274 -8.685 -2.480 183 HA3 GLY 24 HA3 GLY 24 -3.357 -9.951 -1.261 184 H GLN 25 H GLN 25 -2.747 -10.436 -3.917 185 HA GLN 25 HA GLN 25 -4.957 -11.311 -5.434 186 HB2 GLN 25 HB2 GLN 25 -3.128 -12.866 -6.498 187 HB3 GLN 25 HB3 GLN 25 -3.092 -11.132 -6.756 188 HG2 GLN 25 HG2 GLN 25 -0.876 -12.209 -6.276 189 HG3 GLN 25 HG3 GLN 25 -1.296 -10.846 -5.246 190 HE21 GLN 25 HE21 GLN 25 -1.086 -14.328 -5.401 191 HE22 GLN 25 HE22 GLN 25 -0.905 -14.578 -3.699 192 H ASP 26 H ASP 26 -3.391 -12.641 -2.724 193 HA ASP 26 HA ASP 26 -4.142 -15.366 -3.010 194 HB2 ASP 26 HB2 ASP 26 -2.318 -14.641 -1.538 195 HB3 ASP 26 HB3 ASP 26 -3.454 -13.739 -0.549 196 H GLY 27 H GLY 27 -5.872 -12.546 -2.264 197 HA2 GLY 27 HA2 GLY 27 -8.248 -12.504 -2.109 198 HA3 GLY 27 HA3 GLY 27 -8.214 -14.157 -1.515 199 H SER 28 H SER 28 -5.915 -12.227 -0.024 200 HA SER 28 HA SER 28 -7.561 -12.047 2.385 201 HB2 SER 28 HB2 SER 28 -5.522 -13.301 2.713 202 HB3 SER 28 HB3 SER 28 -4.563 -12.014 1.986 203 HG SER 28 HG SER 28 -4.383 -11.262 3.914 204 H VAL 29 H VAL 29 -7.352 -10.132 3.677 205 HA VAL 29 HA VAL 29 -6.412 -7.815 2.209 206 HB VAL 29 HB VAL 29 -8.855 -8.080 1.735 207 HG11 VAL 29 HG11 VAL 29 -10.477 -7.472 3.496 208 HG12 VAL 29 HG12 VAL 29 -9.165 -7.442 4.671 209 HG13 VAL 29 HG13 VAL 29 -9.602 -8.956 3.880 210 HG21 VAL 29 HG21 VAL 29 -9.434 -5.707 2.187 211 HG22 VAL 29 HG22 VAL 29 -7.820 -5.909 1.505 212 HG23 VAL 29 HG23 VAL 29 -8.014 -5.596 3.230 213 H VAL 30 H VAL 30 -5.531 -6.250 3.487 214 HA VAL 30 HA VAL 30 -5.632 -6.712 6.378 215 HB VAL 30 HB VAL 30 -3.384 -6.878 5.363 216 HG11 VAL 30 HG11 VAL 30 -3.772 -3.994 4.595 217 HG12 VAL 30 HG12 VAL 30 -3.704 -5.364 3.489 218 HG13 VAL 30 HG13 VAL 30 -2.278 -4.919 4.429 219 HG21 VAL 30 HG21 VAL 30 -3.430 -6.185 7.643 220 HG22 VAL 30 HG22 VAL 30 -3.852 -4.534 7.194 221 HG23 VAL 30 HG23 VAL 30 -2.249 -5.165 6.816 222 H GLN 31 H GLN 31 -6.155 -5.009 7.747 223 HA GLN 31 HA GLN 31 -7.114 -2.574 6.431 224 HB2 GLN 31 HB2 GLN 31 -7.970 -3.580 9.118 225 HB3 GLN 31 HB3 GLN 31 -8.776 -2.411 8.083 226 HG2 GLN 31 HG2 GLN 31 -9.171 -4.204 6.422 227 HG3 GLN 31 HG3 GLN 31 -8.495 -5.357 7.565 228 HE21 GLN 31 HE21 GLN 31 -11.132 -3.283 6.817 229 HE22 GLN 31 HE22 GLN 31 -12.228 -3.971 7.951 230 H PHE 32 H PHE 32 -6.177 -0.761 6.967 231 HA PHE 32 HA PHE 32 -4.634 -0.475 9.416 232 HB2 PHE 32 HB2 PHE 32 -2.578 0.181 8.180 233 HB3 PHE 32 HB3 PHE 32 -2.980 -1.529 8.029 234 HD1 PHE 32 HD1 PHE 32 -4.270 -2.236 5.922 235 HD2 PHE 32 HD2 PHE 32 -2.209 1.469 6.272 236 HE1 PHE 32 HE1 PHE 32 -4.257 -2.020 3.484 237 HE2 PHE 32 HE2 PHE 32 -2.187 1.686 3.852 238 HZ PHE 32 HZ PHE 32 -3.207 -0.049 2.444 239 H LYS 33 H LYS 33 -3.554 1.695 9.474 240 HA LYS 33 HA LYS 33 -5.409 3.667 8.317 241 HB2 LYS 33 HB2 LYS 33 -3.770 4.063 10.803 242 HB3 LYS 33 HB3 LYS 33 -5.165 4.984 10.263 243 HG2 LYS 33 HG2 LYS 33 -6.536 2.914 10.586 244 HG3 LYS 33 HG3 LYS 33 -5.123 2.187 11.334 245 HD2 LYS 33 HD2 LYS 33 -6.504 4.695 12.281 246 HD3 LYS 33 HD3 LYS 33 -6.633 3.103 13.024 247 HE2 LYS 33 HE2 LYS 33 -4.121 4.744 12.748 248 HE3 LYS 33 HE3 LYS 33 -5.041 4.504 14.230 249 HZ1 LYS 33 HZ1 LYS 33 -3.160 3.041 14.209 250 HZ2 LYS 33 HZ2 LYS 33 -3.575 2.418 12.698 251 HZ3 LYS 33 HZ3 LYS 33 -4.556 2.105 14.040 252 H ILE 34 H ILE 34 -4.590 5.497 7.345 253 HA ILE 34 HA ILE 34 -1.733 6.010 7.461 254 HB ILE 34 HB ILE 34 -1.902 4.459 5.567 255 HG12 ILE 34 HG12 ILE 34 -1.488 7.290 4.577 256 HG13 ILE 34 HG13 ILE 34 -0.294 6.363 5.473 257 HG21 ILE 34 HG21 ILE 34 -4.225 4.806 4.986 258 HG22 ILE 34 HG22 ILE 34 -3.197 5.021 3.569 259 HG23 ILE 34 HG23 ILE 34 -3.858 6.429 4.401 260 HD11 ILE 34 HD11 ILE 34 -1.417 5.620 2.781 261 HD12 ILE 34 HD12 ILE 34 -0.165 4.750 3.672 262 HD13 ILE 34 HD13 ILE 34 0.148 6.377 3.074 263 H LYS 35 H LYS 35 -1.196 8.159 6.916 264 HA LYS 35 HA LYS 35 -3.426 9.972 7.207 265 HB2 LYS 35 HB2 LYS 35 -0.530 10.690 6.898 266 HB3 LYS 35 HB3 LYS 35 -1.817 11.681 7.569 267 HG2 LYS 35 HG2 LYS 35 -2.026 9.768 9.305 268 HG3 LYS 35 HG3 LYS 35 -0.396 9.366 8.762 269 HD2 LYS 35 HD2 LYS 35 -1.238 12.067 9.818 270 HD3 LYS 35 HD3 LYS 35 -0.305 10.861 10.708 271 HE2 LYS 35 HE2 LYS 35 1.517 11.042 9.144 272 HE3 LYS 35 HE3 LYS 35 0.571 12.101 8.100 273 HZ1 LYS 35 HZ1 LYS 35 1.453 12.753 10.858 274 HZ2 LYS 35 HZ2 LYS 35 0.584 13.769 9.825 275 HZ3 LYS 35 HZ3 LYS 35 2.165 13.323 9.437 276 H ARG 36 H ARG 36 -3.668 11.858 5.851 277 HA ARG 36 HA ARG 36 -3.864 11.131 3.148 278 HB2 ARG 36 HB2 ARG 36 -3.983 13.943 4.247 279 HB3 ARG 36 HB3 ARG 36 -4.762 13.331 2.801 280 HG2 ARG 36 HG2 ARG 36 -5.488 12.781 5.662 281 HG3 ARG 36 HG3 ARG 36 -6.451 13.590 4.427 282 HD2 ARG 36 HD2 ARG 36 -5.676 10.679 4.508 283 HD3 ARG 36 HD3 ARG 36 -7.278 11.339 4.808 284 HE ARG 36 HE ARG 36 -5.941 11.084 2.218 285 HH11 ARG 36 HH11 ARG 36 -8.793 12.096 4.004 286 HH12 ARG 36 HH12 ARG 36 -9.823 12.120 2.620 287 HH21 ARG 36 HH21 ARG 36 -7.338 11.104 0.350 288 HH22 ARG 36 HH22 ARG 36 -8.999 11.543 0.545 289 H HIS 37 H HIS 37 -1.543 13.075 4.960 290 HA HIS 37 HA HIS 37 -0.102 13.776 2.523 291 HB2 HIS 37 HB2 HIS 37 -0.536 15.411 4.415 292 HB3 HIS 37 HB3 HIS 37 0.601 14.478 5.378 293 HD1 HIS 37 HD1 HIS 37 2.330 16.369 5.570 294 HD2 HIS 37 HD2 HIS 37 1.388 15.390 1.640 295 HE1 HIS 37 HE1 HIS 37 4.014 17.562 4.157 296 HE2 HIS 37 HE2 HIS 37 3.306 17.115 1.788 297 H THR 38 H THR 38 -0.273 11.087 4.192 298 HA THR 38 HA THR 38 2.571 10.623 4.516 299 HB THR 38 HB THR 38 0.131 9.077 5.409 300 HG1 THR 38 HG1 THR 38 2.365 10.168 6.794 301 HG21 THR 38 HG21 THR 38 3.027 8.202 5.568 302 HG22 THR 38 HG22 THR 38 1.782 7.455 4.569 303 HG23 THR 38 HG23 THR 38 1.659 7.387 6.332 304 HA PRO 39 HA PRO 39 2.824 8.772 0.497 305 HB2 PRO 39 HB2 PRO 39 5.189 7.471 0.874 306 HB3 PRO 39 HB3 PRO 39 5.075 9.205 0.542 307 HG2 PRO 39 HG2 PRO 39 5.427 7.781 3.149 308 HG3 PRO 39 HG3 PRO 39 6.232 9.247 2.562 309 HD2 PRO 39 HD2 PRO 39 4.201 9.339 4.311 310 HD3 PRO 39 HD3 PRO 39 4.418 10.590 3.073 311 H LEU 40 H LEU 40 2.515 6.795 -0.516 312 HA LEU 40 HA LEU 40 1.272 4.749 0.922 313 HB2 LEU 40 HB2 LEU 40 2.386 4.834 -1.870 314 HB3 LEU 40 HB3 LEU 40 1.431 3.502 -1.249 315 HG LEU 40 HG LEU 40 0.449 6.335 -1.417 316 HD11 LEU 40 HD11 LEU 40 -0.840 5.583 -3.367 317 HD12 LEU 40 HD12 LEU 40 0.016 4.042 -3.311 318 HD13 LEU 40 HD13 LEU 40 0.899 5.530 -3.648 319 HD21 LEU 40 HD21 LEU 40 -1.739 5.367 -1.093 320 HD22 LEU 40 HD22 LEU 40 -0.673 4.932 0.244 321 HD23 LEU 40 HD23 LEU 40 -1.028 3.756 -1.028 322 H SER 41 H SER 41 4.571 5.382 0.574 323 HA SER 41 HA SER 41 5.783 2.914 0.348 324 HB2 SER 41 HB2 SER 41 7.531 3.985 1.946 325 HB3 SER 41 HB3 SER 41 7.231 4.743 0.382 326 HG SER 41 HG SER 41 6.894 5.766 2.843 327 HH31 ALY 42 HH31 ALY 42 0.212 0.705 10.698 328 HH32 ALY 42 HH32 ALY 42 1.008 0.395 9.142 329 HH33 ALY 42 HH33 ALY 42 -0.736 0.721 9.217 330 HZ ALY 42 HZ ALY 42 -0.227 2.714 7.662 331 HE3 ALY 42 HE3 ALY 42 1.649 4.625 8.159 332 HE2 ALY 42 HE2 ALY 42 2.577 3.145 7.916 333 HD3 ALY 42 HD3 ALY 42 1.474 2.847 5.722 334 HD2 ALY 42 HD2 ALY 42 0.608 4.361 5.974 335 HG3 ALY 42 HG3 ALY 42 2.533 4.723 4.528 336 HG2 ALY 42 HG2 ALY 42 2.769 5.555 6.060 337 HB3 ALY 42 HB3 ALY 42 4.818 4.591 5.779 338 HB2 ALY 42 HB2 ALY 42 4.013 3.352 6.715 339 HCA ALY 42 HCA ALY 42 5.230 2.256 4.973 340 H ALY 42 H ALY 42 4.494 4.434 3.304 341 H LEU 43 H LEU 43 2.390 3.071 3.122 342 HA LEU 43 HA LEU 43 0.632 1.121 4.132 343 HB2 LEU 43 HB2 LEU 43 -0.298 2.873 2.839 344 HB3 LEU 43 HB3 LEU 43 0.812 2.610 1.516 345 HG LEU 43 HG LEU 43 -1.202 0.488 2.173 346 HD11 LEU 43 HD11 LEU 43 -1.727 3.010 0.611 347 HD12 LEU 43 HD12 LEU 43 -2.543 2.500 2.089 348 HD13 LEU 43 HD13 LEU 43 -2.757 1.586 0.593 349 HD21 LEU 43 HD21 LEU 43 -1.079 0.146 -0.266 350 HD22 LEU 43 HD22 LEU 43 0.506 0.020 0.501 351 HD23 LEU 43 HD23 LEU 43 0.062 1.495 -0.381 352 H MET 44 H MET 44 2.827 1.064 1.352 353 HA MET 44 HA MET 44 2.321 -1.571 0.526 354 HB2 MET 44 HB2 MET 44 4.591 0.345 0.155 355 HB3 MET 44 HB3 MET 44 4.778 -1.323 -0.357 356 HG2 MET 44 HG2 MET 44 3.183 -1.152 -1.985 357 HG3 MET 44 HG3 MET 44 2.414 0.268 -1.295 358 HE1 MET 44 HE1 MET 44 2.320 1.468 -3.613 359 HE2 MET 44 HE2 MET 44 2.992 0.020 -4.363 360 HE3 MET 44 HE3 MET 44 3.691 1.600 -4.714 361 H LYS 45 H LYS 45 4.649 -0.232 2.806 362 HA LYS 45 HA LYS 45 5.964 -2.680 3.317 363 HB2 LYS 45 HB2 LYS 45 7.094 -0.619 3.798 364 HB3 LYS 45 HB3 LYS 45 5.816 -0.105 4.883 365 HG2 LYS 45 HG2 LYS 45 7.808 -0.808 6.086 366 HG3 LYS 45 HG3 LYS 45 6.433 -1.839 6.477 367 HD2 LYS 45 HD2 LYS 45 8.422 -3.189 6.209 368 HD3 LYS 45 HD3 LYS 45 7.318 -3.518 4.877 369 HE2 LYS 45 HE2 LYS 45 8.616 -2.089 3.408 370 HE3 LYS 45 HE3 LYS 45 9.682 -1.644 4.745 371 HZ1 LYS 45 HZ1 LYS 45 9.349 -4.390 3.664 372 HZ2 LYS 45 HZ2 LYS 45 10.435 -3.914 4.871 373 HZ3 LYS 45 HZ3 LYS 45 10.627 -3.349 3.295 374 H ALA 46 H ALA 46 3.246 -1.040 4.875 375 HA ALA 46 HA ALA 46 3.099 -2.697 7.147 376 HB1 ALA 46 HB1 ALA 46 1.902 -0.558 6.955 377 HB2 ALA 46 HB2 ALA 46 0.836 -1.880 7.431 378 HB3 ALA 46 HB3 ALA 46 0.817 -1.287 5.770 379 H TYR 47 H TYR 47 1.437 -2.936 4.004 380 HA TYR 47 HA TYR 47 0.049 -5.297 4.624 381 HB2 TYR 47 HB2 TYR 47 -0.746 -4.075 2.778 382 HB3 TYR 47 HB3 TYR 47 0.849 -3.987 2.034 383 HD1 TYR 47 HD1 TYR 47 -2.019 -6.194 2.728 384 HD2 TYR 47 HD2 TYR 47 1.648 -5.751 0.634 385 HE1 TYR 47 HE1 TYR 47 -2.547 -8.186 1.408 386 HE2 TYR 47 HE2 TYR 47 1.133 -7.743 -0.704 387 HH TYR 47 HH TYR 47 -1.907 -9.118 -0.835 388 H CYS 48 H CYS 48 3.193 -4.651 3.219 389 HA CYS 48 HA CYS 48 3.824 -7.236 2.337 390 HB2 CYS 48 HB2 CYS 48 5.842 -6.318 1.747 391 HB3 CYS 48 HB3 CYS 48 5.001 -4.821 2.138 392 HG CYS 48 HG CYS 48 6.033 -4.657 4.700 393 H GLU 49 H GLU 49 4.186 -5.713 5.450 394 HA GLU 49 HA GLU 49 5.792 -7.764 6.599 395 HB2 GLU 49 HB2 GLU 49 4.164 -5.584 7.886 396 HB3 GLU 49 HB3 GLU 49 5.372 -6.572 8.701 397 HG2 GLU 49 HG2 GLU 49 6.056 -5.011 6.272 398 HG3 GLU 49 HG3 GLU 49 6.034 -4.224 7.830 399 H ARG 50 H ARG 50 2.355 -6.981 6.603 400 HA ARG 50 HA ARG 50 1.530 -8.887 8.512 401 HB2 ARG 50 HB2 ARG 50 0.030 -7.672 6.195 402 HB3 ARG 50 HB3 ARG 50 -0.712 -8.645 7.453 403 HG2 ARG 50 HG2 ARG 50 0.741 -6.059 7.900 404 HG3 ARG 50 HG3 ARG 50 -1.010 -6.242 7.786 405 HD2 ARG 50 HD2 ARG 50 -0.844 -7.880 9.701 406 HD3 ARG 50 HD3 ARG 50 0.832 -7.372 9.883 407 HE ARG 50 HE ARG 50 -0.197 -5.047 10.149 408 HH11 ARG 50 HH11 ARG 50 -1.790 -8.004 11.165 409 HH12 ARG 50 HH12 ARG 50 -2.660 -7.251 12.451 410 HH21 ARG 50 HH21 ARG 50 -1.361 -4.036 11.872 411 HH22 ARG 50 HH22 ARG 50 -2.431 -4.992 12.841 412 H GLN 51 H GLN 51 1.704 -9.051 4.986 413 HA GLN 51 HA GLN 51 0.746 -11.769 4.974 414 HB2 GLN 51 HB2 GLN 51 1.293 -9.713 2.959 415 HB3 GLN 51 HB3 GLN 51 1.675 -11.347 2.439 416 HG2 GLN 51 HG2 GLN 51 -0.577 -10.737 1.796 417 HG3 GLN 51 HG3 GLN 51 -0.595 -12.061 2.955 418 HE21 GLN 51 HE21 GLN 51 -0.063 -8.699 3.806 419 HE22 GLN 51 HE22 GLN 51 -1.545 -8.490 4.671 420 H GLY 52 H GLY 52 3.802 -10.296 5.290 421 HA2 GLY 52 HA2 GLY 52 5.861 -11.303 5.607 422 HA3 GLY 52 HA3 GLY 52 5.066 -12.864 5.434 423 H LEU 53 H LEU 53 5.769 -10.055 3.402 424 HA LEU 53 HA LEU 53 7.043 -11.740 1.465 425 HB2 LEU 53 HB2 LEU 53 5.592 -10.876 -0.430 426 HB3 LEU 53 HB3 LEU 53 4.880 -12.091 0.605 427 HG LEU 53 HG LEU 53 3.694 -10.187 1.803 428 HD11 LEU 53 HD11 LEU 53 5.069 -8.354 1.043 429 HD12 LEU 53 HD12 LEU 53 3.396 -8.125 0.525 430 HD13 LEU 53 HD13 LEU 53 4.613 -8.676 -0.630 431 HD21 LEU 53 HD21 LEU 53 3.073 -10.686 -1.106 432 HD22 LEU 53 HD22 LEU 53 1.953 -10.034 0.090 433 HD23 LEU 53 HD23 LEU 53 2.561 -11.683 0.258 434 H SER 54 H SER 54 7.638 -10.242 -0.532 435 HA SER 54 HA SER 54 8.842 -7.879 0.690 436 HB2 SER 54 HB2 SER 54 9.539 -9.495 -1.751 437 HB3 SER 54 HB3 SER 54 10.325 -7.968 -1.368 438 HG SER 54 HG SER 54 10.453 -10.441 -0.044 439 H MET 55 H MET 55 8.331 -5.854 0.059 440 HA MET 55 HA MET 55 6.041 -5.395 -1.533 441 HB2 MET 55 HB2 MET 55 6.639 -2.978 -1.393 442 HB3 MET 55 HB3 MET 55 6.606 -3.781 0.169 443 HG2 MET 55 HG2 MET 55 8.842 -3.541 0.497 444 HG3 MET 55 HG3 MET 55 9.218 -3.605 -1.229 445 HE1 MET 55 HE1 MET 55 6.545 -1.306 0.558 446 HE2 MET 55 HE2 MET 55 7.513 0.128 0.902 447 HE3 MET 55 HE3 MET 55 7.862 -1.391 1.726 448 H ARG 56 H ARG 56 9.391 -5.633 -2.319 449 HA ARG 56 HA ARG 56 9.239 -4.320 -4.849 450 HB2 ARG 56 HB2 ARG 56 11.474 -5.218 -5.220 451 HB3 ARG 56 HB3 ARG 56 11.336 -4.529 -3.608 452 HG2 ARG 56 HG2 ARG 56 10.931 -6.853 -2.763 453 HG3 ARG 56 HG3 ARG 56 11.371 -7.432 -4.365 454 HD2 ARG 56 HD2 ARG 56 13.102 -5.785 -2.535 455 HD3 ARG 56 HD3 ARG 56 13.272 -7.512 -2.830 456 HE ARG 56 HE ARG 56 13.981 -5.331 -4.619 457 HH11 ARG 56 HH11 ARG 56 13.636 -8.805 -4.154 458 HH12 ARG 56 HH12 ARG 56 14.678 -9.212 -5.474 459 HH21 ARG 56 HH21 ARG 56 15.372 -5.880 -6.363 460 HH22 ARG 56 HH22 ARG 56 15.680 -7.541 -6.732 461 H GLN 57 H GLN 57 8.181 -7.341 -3.763 462 HA GLN 57 HA GLN 57 8.369 -8.560 -6.435 463 HB2 GLN 57 HB2 GLN 57 7.584 -9.812 -3.806 464 HB3 GLN 57 HB3 GLN 57 7.843 -10.659 -5.327 465 HG2 GLN 57 HG2 GLN 57 9.936 -9.092 -3.859 466 HG3 GLN 57 HG3 GLN 57 9.714 -10.839 -3.749 467 HE21 GLN 57 HE21 GLN 57 10.645 -8.186 -5.802 468 HE22 GLN 57 HE22 GLN 57 11.491 -9.118 -6.982 469 H ILE 58 H ILE 58 6.321 -6.584 -5.019 470 HA ILE 58 HA ILE 58 4.007 -7.893 -6.237 471 HB ILE 58 HB ILE 58 2.579 -6.924 -4.394 472 HG12 ILE 58 HG12 ILE 58 5.203 -6.769 -2.925 473 HG13 ILE 58 HG13 ILE 58 4.356 -5.372 -3.581 474 HG21 ILE 58 HG21 ILE 58 2.977 -8.765 -2.866 475 HG22 ILE 58 HG22 ILE 58 4.584 -9.006 -3.547 476 HG23 ILE 58 HG23 ILE 58 3.158 -9.309 -4.535 477 HD11 ILE 58 HD11 ILE 58 3.933 -5.638 -1.196 478 HD12 ILE 58 HD12 ILE 58 3.286 -7.253 -1.496 479 HD13 ILE 58 HD13 ILE 58 2.456 -5.837 -2.136 480 H ARG 59 H ARG 59 2.174 -6.297 -6.445 481 HA ARG 59 HA ARG 59 3.110 -3.577 -6.964 482 HB2 ARG 59 HB2 ARG 59 1.914 -5.462 -8.961 483 HB3 ARG 59 HB3 ARG 59 1.658 -3.731 -9.119 484 HG2 ARG 59 HG2 ARG 59 4.397 -4.916 -8.860 485 HG3 ARG 59 HG3 ARG 59 3.578 -4.748 -10.418 486 HD2 ARG 59 HD2 ARG 59 3.850 -2.428 -8.541 487 HD3 ARG 59 HD3 ARG 59 5.153 -2.850 -9.637 488 HE ARG 59 HE ARG 59 2.480 -2.435 -10.761 489 HH11 ARG 59 HH11 ARG 59 5.764 -1.253 -10.323 490 HH12 ARG 59 HH12 ARG 59 5.642 -0.079 -11.583 491 HH21 ARG 59 HH21 ARG 59 2.330 -0.881 -12.438 492 HH22 ARG 59 HH22 ARG 59 3.691 0.131 -12.797 493 H PHE 60 H PHE 60 1.612 -2.016 -6.660 494 HA PHE 60 HA PHE 60 -0.961 -2.931 -5.565 495 HB2 PHE 60 HB2 PHE 60 0.640 -0.416 -4.929 496 HB3 PHE 60 HB3 PHE 60 -1.007 -0.687 -4.401 497 HD1 PHE 60 HD1 PHE 60 2.231 -2.547 -4.384 498 HD2 PHE 60 HD2 PHE 60 -1.253 -1.375 -2.255 499 HE1 PHE 60 HE1 PHE 60 3.078 -3.681 -2.374 500 HE2 PHE 60 HE2 PHE 60 -0.410 -2.509 -0.245 501 HZ PHE 60 HZ PHE 60 1.753 -3.670 -0.306 502 H ARG 61 H ARG 61 -2.802 -2.313 -6.523 503 HA ARG 61 HA ARG 61 -2.683 -0.032 -8.358 504 HB2 ARG 61 HB2 ARG 61 -3.844 -1.142 -10.101 505 HB3 ARG 61 HB3 ARG 61 -2.576 -2.235 -9.590 506 HG2 ARG 61 HG2 ARG 61 -4.296 -3.706 -9.791 507 HG3 ARG 61 HG3 ARG 61 -4.480 -3.240 -8.106 508 HD2 ARG 61 HD2 ARG 61 -6.308 -1.852 -8.557 509 HD3 ARG 61 HD3 ARG 61 -5.930 -1.761 -10.277 510 HE ARG 61 HE ARG 61 -6.460 -4.364 -9.962 511 HH11 ARG 61 HH11 ARG 61 -8.218 -1.548 -8.836 512 HH12 ARG 61 HH12 ARG 61 -9.772 -2.272 -9.032 513 HH21 ARG 61 HH21 ARG 61 -8.526 -5.339 -10.201 514 HH22 ARG 61 HH22 ARG 61 -9.948 -4.428 -9.819 515 H PHE 62 H PHE 62 -4.433 1.266 -8.442 516 HA PHE 62 HA PHE 62 -6.786 0.588 -6.858 517 HB2 PHE 62 HB2 PHE 62 -5.342 1.786 -5.306 518 HB3 PHE 62 HB3 PHE 62 -5.077 3.056 -6.491 519 HD1 PHE 62 HD1 PHE 62 -7.561 1.536 -4.246 520 HD2 PHE 62 HD2 PHE 62 -6.617 4.827 -6.765 521 HE1 PHE 62 HE1 PHE 62 -9.479 2.776 -3.342 522 HE2 PHE 62 HE2 PHE 62 -8.534 6.077 -5.865 523 HZ PHE 62 HZ PHE 62 -9.968 5.048 -4.150 524 H ASP 63 H ASP 63 -8.648 1.443 -7.727 525 HA ASP 63 HA ASP 63 -10.051 2.477 -9.228 526 HB2 ASP 63 HB2 ASP 63 -8.519 4.466 -8.265 527 HB3 ASP 63 HB3 ASP 63 -8.024 4.520 -9.930 528 H GLY 64 H GLY 64 -8.127 0.451 -10.251 529 HA2 GLY 64 HA2 GLY 64 -7.770 -0.400 -12.347 530 HA3 GLY 64 HA3 GLY 64 -8.441 1.088 -13.000 531 H GLN 65 H GLN 65 -6.152 2.184 -10.957 532 HA GLN 65 HA GLN 65 -4.051 2.016 -13.023 533 HB2 GLN 65 HB2 GLN 65 -3.428 4.346 -12.432 534 HB3 GLN 65 HB3 GLN 65 -5.024 4.207 -13.154 535 HG2 GLN 65 HG2 GLN 65 -6.031 4.354 -10.929 536 HG3 GLN 65 HG3 GLN 65 -4.431 4.533 -10.217 537 HE21 GLN 65 HE21 GLN 65 -6.910 6.005 -12.101 538 HE22 GLN 65 HE22 GLN 65 -6.289 7.620 -12.048 539 HA PRO 66 HA PRO 66 -1.384 0.720 -9.747 540 HB2 PRO 66 HB2 PRO 66 1.004 1.206 -10.903 541 HB3 PRO 66 HB3 PRO 66 -0.054 -0.104 -11.438 542 HG2 PRO 66 HG2 PRO 66 0.321 2.618 -12.629 543 HG3 PRO 66 HG3 PRO 66 0.208 1.048 -13.445 544 HD2 PRO 66 HD2 PRO 66 -1.880 2.788 -13.248 545 HD3 PRO 66 HD3 PRO 66 -2.085 1.026 -13.337 546 H ILE 67 H ILE 67 -0.097 1.576 -8.078 547 HA ILE 67 HA ILE 67 0.466 4.456 -8.216 548 HB ILE 67 HB ILE 67 -0.090 4.648 -5.780 549 HG12 ILE 67 HG12 ILE 67 -0.175 2.062 -5.495 550 HG13 ILE 67 HG13 ILE 67 -1.322 3.046 -4.595 551 HG21 ILE 67 HG21 ILE 67 -2.505 4.928 -6.124 552 HG22 ILE 67 HG22 ILE 67 -2.360 4.082 -7.666 553 HG23 ILE 67 HG23 ILE 67 -1.530 5.620 -7.420 554 HD11 ILE 67 HD11 ILE 67 -3.043 2.530 -6.250 555 HD12 ILE 67 HD12 ILE 67 -2.373 1.069 -5.525 556 HD13 ILE 67 HD13 ILE 67 -1.879 1.557 -7.148 557 H ASN 68 H ASN 68 2.262 5.120 -7.395 558 HA ASN 68 HA ASN 68 4.216 3.150 -6.546 559 HB2 ASN 68 HB2 ASN 68 5.641 5.406 -6.648 560 HB3 ASN 68 HB3 ASN 68 5.254 4.481 -8.094 561 HD21 ASN 68 HD21 ASN 68 4.439 7.282 -6.206 562 HD22 ASN 68 HD22 ASN 68 3.570 8.130 -7.430 563 H GLU 69 H GLU 69 5.559 3.506 -4.687 564 HA GLU 69 HA GLU 69 4.117 4.084 -2.337 565 HB2 GLU 69 HB2 GLU 69 6.401 3.987 -1.250 566 HB3 GLU 69 HB3 GLU 69 5.885 2.557 -2.138 567 HG2 GLU 69 HG2 GLU 69 7.377 2.873 -3.795 568 HG3 GLU 69 HG3 GLU 69 7.499 4.617 -3.544 569 H THR 70 H THR 70 5.812 6.161 -4.443 570 HA THR 70 HA THR 70 6.436 8.177 -2.504 571 HB THR 70 HB THR 70 7.040 9.543 -4.495 572 HG1 THR 70 HG1 THR 70 6.562 8.843 -6.476 573 HG21 THR 70 HG21 THR 70 8.074 6.713 -4.570 574 HG22 THR 70 HG22 THR 70 8.661 7.981 -3.488 575 HG23 THR 70 HG23 THR 70 8.885 8.131 -5.232 576 H ASP 71 H ASP 71 3.639 7.251 -4.173 577 HA ASP 71 HA ASP 71 2.468 9.901 -4.279 578 HB2 ASP 71 HB2 ASP 71 1.881 7.314 -5.441 579 HB3 ASP 71 HB3 ASP 71 0.438 7.992 -4.700 580 H THR 72 H THR 72 0.432 10.370 -3.187 581 HA THR 72 HA THR 72 0.286 9.049 -0.563 582 HB THR 72 HB THR 72 -0.625 11.303 0.221 583 HG1 THR 72 HG1 THR 72 0.050 13.089 -1.106 584 HG21 THR 72 HG21 THR 72 1.633 12.298 0.451 585 HG22 THR 72 HG22 THR 72 2.245 11.114 -0.710 586 HG23 THR 72 HG23 THR 72 1.598 10.580 0.844 587 HA PRO 73 HA PRO 73 -3.963 8.147 -1.422 588 HB2 PRO 73 HB2 PRO 73 -5.079 8.475 1.064 589 HB3 PRO 73 HB3 PRO 73 -4.150 7.053 0.582 590 HG2 PRO 73 HG2 PRO 73 -3.276 9.443 2.149 591 HG3 PRO 73 HG3 PRO 73 -2.905 7.730 2.417 592 HD2 PRO 73 HD2 PRO 73 -1.147 9.406 1.278 593 HD3 PRO 73 HD3 PRO 73 -1.267 7.705 0.790 594 H ALA 74 H ALA 74 -2.924 11.187 -0.359 595 HA ALA 74 HA ALA 74 -5.561 12.416 -0.600 596 HB1 ALA 74 HB1 ALA 74 -3.006 13.864 -0.018 597 HB2 ALA 74 HB2 ALA 74 -3.884 12.989 1.223 598 HB3 ALA 74 HB3 ALA 74 -4.661 14.335 0.385 599 H GLN 75 H GLN 75 -2.703 11.873 -2.440 600 HA GLN 75 HA GLN 75 -2.887 14.157 -4.116 601 HB2 GLN 75 HB2 GLN 75 -0.827 12.787 -3.810 602 HB3 GLN 75 HB3 GLN 75 -1.593 11.509 -4.744 603 HG2 GLN 75 HG2 GLN 75 -1.659 12.894 -6.700 604 HG3 GLN 75 HG3 GLN 75 -1.087 14.287 -5.785 605 HE21 GLN 75 HE21 GLN 75 0.850 12.699 -4.281 606 HE22 GLN 75 HE22 GLN 75 2.140 12.367 -5.380 607 H LEU 76 H LEU 76 -4.215 10.922 -4.254 608 HA LEU 76 HA LEU 76 -5.625 11.682 -6.698 609 HB2 LEU 76 HB2 LEU 76 -6.188 9.130 -6.741 610 HB3 LEU 76 HB3 LEU 76 -4.631 9.693 -7.292 611 HG LEU 76 HG LEU 76 -4.630 7.567 -5.931 612 HD11 LEU 76 HD11 LEU 76 -2.636 8.145 -4.630 613 HD12 LEU 76 HD12 LEU 76 -2.955 9.856 -4.919 614 HD13 LEU 76 HD13 LEU 76 -2.586 8.785 -6.271 615 HD21 LEU 76 HD21 LEU 76 -6.250 8.110 -4.241 616 HD22 LEU 76 HD22 LEU 76 -5.276 9.475 -3.695 617 HD23 LEU 76 HD23 LEU 76 -4.688 7.831 -3.467 618 H GLU 77 H GLU 77 -6.004 11.761 -3.535 619 HA GLU 77 HA GLU 77 -7.663 11.745 -2.026 620 HB2 GLU 77 HB2 GLU 77 -9.132 12.805 -4.430 621 HB3 GLU 77 HB3 GLU 77 -9.777 12.843 -2.792 622 HG2 GLU 77 HG2 GLU 77 -7.779 14.141 -2.100 623 HG3 GLU 77 HG3 GLU 77 -7.288 14.199 -3.788 624 H MET 78 H MET 78 -7.372 9.314 -2.266 625 HA MET 78 HA MET 78 -9.620 7.873 -3.291 626 HB2 MET 78 HB2 MET 78 -8.653 5.958 -1.957 627 HB3 MET 78 HB3 MET 78 -7.598 6.644 -3.179 628 HG2 MET 78 HG2 MET 78 -6.366 7.850 -1.501 629 HG3 MET 78 HG3 MET 78 -7.492 7.303 -0.254 630 HE1 MET 78 HE1 MET 78 -4.999 5.916 -3.039 631 HE2 MET 78 HE2 MET 78 -6.454 4.927 -3.149 632 HE3 MET 78 HE3 MET 78 -4.949 4.219 -2.563 633 H GLU 79 H GLU 79 -10.874 6.405 -1.775 634 HA GLU 79 HA GLU 79 -12.113 8.175 0.155 635 HB2 GLU 79 HB2 GLU 79 -13.442 6.929 -1.539 636 HB3 GLU 79 HB3 GLU 79 -12.956 5.429 -0.766 637 HG2 GLU 79 HG2 GLU 79 -14.080 6.116 1.284 638 HG3 GLU 79 HG3 GLU 79 -14.563 7.625 0.511 639 H ASP 80 H ASP 80 -12.661 7.453 2.298 640 HA ASP 80 HA ASP 80 -10.518 6.086 3.566 641 HB2 ASP 80 HB2 ASP 80 -11.762 6.408 5.636 642 HB3 ASP 80 HB3 ASP 80 -11.715 7.908 4.713 643 H GLU 81 H GLU 81 -10.408 4.098 4.316 644 HA GLU 81 HA GLU 81 -10.832 1.945 4.763 645 HB2 GLU 81 HB2 GLU 81 -13.760 2.592 4.341 646 HB3 GLU 81 HB3 GLU 81 -13.126 1.110 5.041 647 HG2 GLU 81 HG2 GLU 81 -12.102 2.553 6.847 648 HG3 GLU 81 HG3 GLU 81 -13.046 3.883 6.189 649 H ASP 82 H ASP 82 -10.703 3.279 1.997 650 HA ASP 82 HA ASP 82 -12.023 1.531 0.193 651 HB2 ASP 82 HB2 ASP 82 -10.735 3.935 -0.078 652 HB3 ASP 82 HB3 ASP 82 -9.554 2.822 -0.754 653 H THR 83 H THR 83 -10.465 0.413 -1.563 654 HA THR 83 HA THR 83 -8.524 -1.188 -0.053 655 HB THR 83 HB THR 83 -10.016 -2.643 -2.137 656 HG1 THR 83 HG1 THR 83 -11.674 -1.362 -1.093 657 HG21 THR 83 HG21 THR 83 -9.983 -4.396 -0.408 658 HG22 THR 83 HG22 THR 83 -9.315 -3.242 0.745 659 HG23 THR 83 HG23 THR 83 -8.376 -3.722 -0.670 660 H ILE 84 H ILE 84 -6.823 -2.034 -1.232 661 HA ILE 84 HA ILE 84 -6.489 -0.997 -3.960 662 HB ILE 84 HB ILE 84 -4.431 -1.138 -1.735 663 HG12 ILE 84 HG12 ILE 84 -4.017 1.261 -2.562 664 HG13 ILE 84 HG13 ILE 84 -5.532 1.085 -3.436 665 HG21 ILE 84 HG21 ILE 84 -2.740 -0.462 -3.398 666 HG22 ILE 84 HG22 ILE 84 -3.923 -0.748 -4.674 667 HG23 ILE 84 HG23 ILE 84 -3.371 -2.086 -3.669 668 HD11 ILE 84 HD11 ILE 84 -6.692 0.676 -1.359 669 HD12 ILE 84 HD12 ILE 84 -5.853 2.230 -1.338 670 HD13 ILE 84 HD13 ILE 84 -5.180 0.845 -0.470 671 H ASP 85 H ASP 85 -5.844 -2.472 -5.429 672 HA ASP 85 HA ASP 85 -5.869 -5.233 -4.561 673 HB2 ASP 85 HB2 ASP 85 -5.988 -3.850 -7.204 674 HB3 ASP 85 HB3 ASP 85 -5.692 -5.585 -7.117 675 H VAL 86 H VAL 86 -4.183 -6.613 -4.587 676 HA VAL 86 HA VAL 86 -1.625 -5.550 -5.514 677 HB VAL 86 HB VAL 86 -2.354 -6.868 -2.927 678 HG11 VAL 86 HG11 VAL 86 -0.032 -7.516 -2.517 679 HG12 VAL 86 HG12 VAL 86 0.393 -7.067 -4.172 680 HG13 VAL 86 HG13 VAL 86 -0.709 -8.413 -3.876 681 HG21 VAL 86 HG21 VAL 86 -0.778 -5.230 -2.056 682 HG22 VAL 86 HG22 VAL 86 -2.032 -4.475 -3.041 683 HG23 VAL 86 HG23 VAL 86 -0.412 -4.709 -3.700 684 H PHE 87 H PHE 87 -0.321 -6.895 -6.584 685 HA PHE 87 HA PHE 87 -1.071 -9.690 -6.849 686 HB2 PHE 87 HB2 PHE 87 -0.428 -9.370 -9.384 687 HB3 PHE 87 HB3 PHE 87 -2.075 -9.065 -8.812 688 HD1 PHE 87 HD1 PHE 87 -2.719 -6.657 -8.306 689 HD2 PHE 87 HD2 PHE 87 0.769 -7.711 -10.498 690 HE1 PHE 87 HE1 PHE 87 -2.632 -4.396 -9.229 691 HE2 PHE 87 HE2 PHE 87 0.857 -5.437 -11.439 692 HZ PHE 87 HZ PHE 87 -0.847 -3.777 -10.807 693 H GLN 88 H GLN 88 0.673 -11.062 -7.411 694 HA GLN 88 HA GLN 88 3.222 -9.771 -6.737 695 HB2 GLN 88 HB2 GLN 88 2.701 -12.723 -6.551 696 HB3 GLN 88 HB3 GLN 88 3.969 -11.791 -5.779 697 HG2 GLN 88 HG2 GLN 88 1.822 -10.635 -4.651 698 HG3 GLN 88 HG3 GLN 88 1.163 -12.233 -4.976 699 HE21 GLN 88 HE21 GLN 88 4.493 -11.403 -4.147 700 HE22 GLN 88 HE22 GLN 88 4.525 -12.299 -2.669 701 H GLN 89 H GLN 89 4.382 -9.374 -8.449 702 HA GLN 89 HA GLN 89 4.764 -11.536 -10.368 703 HB2 GLN 89 HB2 GLN 89 5.026 -9.800 -12.161 704 HB3 GLN 89 HB3 GLN 89 3.395 -9.975 -11.538 705 HG2 GLN 89 HG2 GLN 89 3.626 -7.965 -10.234 706 HG3 GLN 89 HG3 GLN 89 5.321 -7.823 -10.697 707 HE21 GLN 89 HE21 GLN 89 2.031 -7.537 -11.761 708 HE22 GLN 89 HE22 GLN 89 2.366 -6.650 -13.207 709 H GLN 90 H GLN 90 6.816 -12.135 -10.464 710 HA GLN 90 HA GLN 90 8.820 -10.533 -9.131 711 HB2 GLN 90 HB2 GLN 90 8.982 -13.274 -10.407 712 HB3 GLN 90 HB3 GLN 90 10.301 -12.496 -9.546 713 HG2 GLN 90 HG2 GLN 90 9.319 -14.063 -8.065 714 HG3 GLN 90 HG3 GLN 90 8.834 -12.462 -7.512 715 HE21 GLN 90 HE21 GLN 90 7.061 -13.279 -6.417 716 HE22 GLN 90 HE22 GLN 90 5.648 -13.855 -7.235 717 H THR 91 H THR 91 8.593 -12.168 -12.279 718 HA THR 91 HA THR 91 9.481 -11.722 -14.309 719 HB THR 91 HB THR 91 9.676 -8.823 -13.465 720 HG1 THR 91 HG1 THR 91 7.592 -9.088 -13.092 721 HG21 THR 91 HG21 THR 91 9.126 -10.149 -16.129 722 HG22 THR 91 HG22 THR 91 10.654 -9.412 -15.645 723 HG23 THR 91 HG23 THR 91 9.215 -8.411 -15.842 724 H GLY 92 H GLY 92 11.312 -12.915 -13.264 725 HA2 GLY 92 HA2 GLY 92 13.629 -13.189 -13.365 726 HA3 GLY 92 HA3 GLY 92 13.778 -11.478 -13.744 727 H GLY 93 H GLY 93 12.592 -10.277 -11.605 728 HA2 GLY 93 HA2 GLY 93 13.161 -11.225 -9.067 729 HA3 GLY 93 HA3 GLY 93 14.629 -10.442 -9.641 Start of MODEL 15 1 H MET 1 H MET 1 -13.273 23.785 10.946 2 HA MET 1 HA MET 1 -11.479 22.439 11.683 3 HB2 MET 1 HB2 MET 1 -10.480 25.000 12.937 4 HB3 MET 1 HB3 MET 1 -9.849 23.407 13.323 5 HG2 MET 1 HG2 MET 1 -9.760 24.741 10.626 6 HG3 MET 1 HG3 MET 1 -8.416 24.574 11.752 7 HE1 MET 1 HE1 MET 1 -7.412 22.123 8.874 8 HE2 MET 1 HE2 MET 1 -6.910 23.497 9.860 9 HE3 MET 1 HE3 MET 1 -8.237 23.673 8.712 10 H ALA 2 H ALA 2 -13.925 24.351 12.839 11 HA ALA 2 HA ALA 2 -14.112 22.696 15.249 12 HB1 ALA 2 HB1 ALA 2 -14.746 25.643 15.130 13 HB2 ALA 2 HB2 ALA 2 -13.337 24.927 15.910 14 HB3 ALA 2 HB3 ALA 2 -14.953 24.592 16.531 15 H ASP 3 H ASP 3 -16.062 21.802 15.580 16 HA ASP 3 HA ASP 3 -18.278 22.654 13.836 17 HB2 ASP 3 HB2 ASP 3 -19.106 20.376 13.888 18 HB3 ASP 3 HB3 ASP 3 -17.418 20.338 13.406 19 H GLU 4 H GLU 4 -17.779 24.016 16.154 20 HA GLU 4 HA GLU 4 -20.089 23.363 17.727 21 HB2 GLU 4 HB2 GLU 4 -17.316 23.838 18.828 22 HB3 GLU 4 HB3 GLU 4 -18.782 23.905 19.790 23 HG2 GLU 4 HG2 GLU 4 -19.218 21.549 19.211 24 HG3 GLU 4 HG3 GLU 4 -17.670 21.511 18.367 25 H LYS 5 H LYS 5 -20.976 25.143 18.602 26 HA LYS 5 HA LYS 5 -20.891 27.568 17.409 27 HB2 LYS 5 HB2 LYS 5 -22.499 26.657 19.049 28 HB3 LYS 5 HB3 LYS 5 -21.394 27.119 20.321 29 HG2 LYS 5 HG2 LYS 5 -21.584 29.485 19.507 30 HG3 LYS 5 HG3 LYS 5 -22.868 28.936 18.426 31 HD2 LYS 5 HD2 LYS 5 -22.851 28.844 21.444 32 HD3 LYS 5 HD3 LYS 5 -23.880 29.836 20.414 33 HE2 LYS 5 HE2 LYS 5 -23.911 26.817 20.545 34 HE3 LYS 5 HE3 LYS 5 -25.070 27.880 21.331 35 HZ1 LYS 5 HZ1 LYS 5 -25.751 28.681 19.152 36 HZ2 LYS 5 HZ2 LYS 5 -25.940 27.009 19.266 37 HZ3 LYS 5 HZ3 LYS 5 -24.643 27.649 18.398 38 HA PRO 6 HA PRO 6 -17.507 29.274 20.443 39 HB2 PRO 6 HB2 PRO 6 -16.213 27.557 22.080 40 HB3 PRO 6 HB3 PRO 6 -17.728 28.332 22.561 41 HG2 PRO 6 HG2 PRO 6 -17.288 25.590 21.429 42 HG3 PRO 6 HG3 PRO 6 -18.267 26.072 22.829 43 HD2 PRO 6 HD2 PRO 6 -19.383 25.613 20.423 44 HD3 PRO 6 HD3 PRO 6 -19.983 26.874 21.518 45 H LYS 7 H LYS 7 -15.124 29.251 20.235 46 HA LYS 7 HA LYS 7 -14.288 27.590 17.978 47 HB2 LYS 7 HB2 LYS 7 -12.313 29.141 17.932 48 HB3 LYS 7 HB3 LYS 7 -13.863 29.903 17.616 49 HG2 LYS 7 HG2 LYS 7 -13.901 30.973 19.680 50 HG3 LYS 7 HG3 LYS 7 -12.691 29.888 20.367 51 HD2 LYS 7 HD2 LYS 7 -11.752 31.344 18.024 52 HD3 LYS 7 HD3 LYS 7 -12.201 32.396 19.371 53 HE2 LYS 7 HE2 LYS 7 -10.750 31.151 20.853 54 HE3 LYS 7 HE3 LYS 7 -10.361 30.021 19.558 55 HZ1 LYS 7 HZ1 LYS 7 -9.252 31.756 18.368 56 HZ2 LYS 7 HZ2 LYS 7 -8.649 31.750 19.943 57 HZ3 LYS 7 HZ3 LYS 7 -9.758 32.929 19.472 58 H GLU 8 H GLU 8 -13.986 27.808 21.329 59 HA GLU 8 HA GLU 8 -11.371 26.588 21.469 60 HB2 GLU 8 HB2 GLU 8 -13.367 27.133 23.662 61 HB3 GLU 8 HB3 GLU 8 -11.688 26.664 23.885 62 HG2 GLU 8 HG2 GLU 8 -11.043 28.755 22.662 63 HG3 GLU 8 HG3 GLU 8 -12.737 29.233 22.740 64 H GLY 9 H GLY 9 -13.747 25.225 20.218 65 HA2 GLY 9 HA2 GLY 9 -14.153 22.896 21.902 66 HA3 GLY 9 HA3 GLY 9 -14.797 23.161 20.281 67 H VAL 10 H VAL 10 -12.090 23.950 19.428 68 HA VAL 10 HA VAL 10 -11.052 21.244 18.998 69 HB VAL 10 HB VAL 10 -11.699 22.381 16.939 70 HG11 VAL 10 HG11 VAL 10 -11.506 24.679 17.680 71 HG12 VAL 10 HG12 VAL 10 -10.602 24.429 16.184 72 HG13 VAL 10 HG13 VAL 10 -9.748 24.537 17.725 73 HG21 VAL 10 HG21 VAL 10 -9.581 22.243 15.694 74 HG22 VAL 10 HG22 VAL 10 -9.774 20.893 16.813 75 HG23 VAL 10 HG23 VAL 10 -8.695 22.228 17.218 76 H LYS 11 H LYS 11 -8.940 20.783 19.384 77 HA LYS 11 HA LYS 11 -7.389 22.860 20.801 78 HB2 LYS 11 HB2 LYS 11 -8.165 21.023 22.275 79 HB3 LYS 11 HB3 LYS 11 -7.303 19.873 21.264 80 HG2 LYS 11 HG2 LYS 11 -5.189 21.094 21.812 81 HG3 LYS 11 HG3 LYS 11 -6.112 22.061 22.960 82 HD2 LYS 11 HD2 LYS 11 -5.723 19.068 23.023 83 HD3 LYS 11 HD3 LYS 11 -5.001 20.247 24.116 84 HE2 LYS 11 HE2 LYS 11 -7.944 19.679 23.828 85 HE3 LYS 11 HE3 LYS 11 -6.912 19.102 25.131 86 HZ1 LYS 11 HZ1 LYS 11 -7.521 21.954 24.538 87 HZ2 LYS 11 HZ2 LYS 11 -6.507 21.401 25.771 88 HZ3 LYS 11 HZ3 LYS 11 -8.154 21.042 25.815 89 H THR 12 H THR 12 -6.731 19.681 19.378 90 HA THR 12 HA THR 12 -4.729 20.862 17.630 91 HB THR 12 HB THR 12 -4.105 18.655 19.623 92 HG1 THR 12 HG1 THR 12 -3.071 20.166 20.731 93 HG21 THR 12 HG21 THR 12 -2.363 19.916 17.492 94 HG22 THR 12 HG22 THR 12 -2.996 18.270 17.465 95 HG23 THR 12 HG23 THR 12 -1.824 18.745 18.694 96 H GLU 13 H GLU 13 -4.474 19.699 15.765 97 HA GLU 13 HA GLU 13 -5.850 17.149 15.500 98 HB2 GLU 13 HB2 GLU 13 -6.659 19.582 13.928 99 HB3 GLU 13 HB3 GLU 13 -7.009 17.945 13.392 100 HG2 GLU 13 HG2 GLU 13 -7.936 19.177 15.976 101 HG3 GLU 13 HG3 GLU 13 -8.917 18.983 14.524 102 H ASN 14 H ASN 14 -3.911 16.257 15.129 103 HA ASN 14 HA ASN 14 -2.777 16.780 12.456 104 HB2 ASN 14 HB2 ASN 14 -1.354 15.963 14.991 105 HB3 ASN 14 HB3 ASN 14 -0.645 15.788 13.392 106 HD21 ASN 14 HD21 ASN 14 -1.450 17.934 15.934 107 HD22 ASN 14 HD22 ASN 14 -0.737 19.358 15.260 108 H ASN 15 H ASN 15 -4.840 15.009 13.701 109 HA ASN 15 HA ASN 15 -3.722 12.397 13.000 110 HB2 ASN 15 HB2 ASN 15 -5.422 11.387 14.389 111 HB3 ASN 15 HB3 ASN 15 -4.603 12.635 15.318 112 HD21 ASN 15 HD21 ASN 15 -5.700 14.568 15.766 113 HD22 ASN 15 HD22 ASN 15 -7.420 14.686 15.631 114 H ASP 16 H ASP 16 -5.079 14.650 11.309 115 HA ASP 16 HA ASP 16 -7.492 13.541 10.318 116 HB2 ASP 16 HB2 ASP 16 -5.558 15.438 8.993 117 HB3 ASP 16 HB3 ASP 16 -7.161 15.049 8.390 118 H HIS 17 H HIS 17 -7.110 11.368 9.900 119 HA HIS 17 HA HIS 17 -5.687 10.906 7.393 120 HB2 HIS 17 HB2 HIS 17 -4.637 8.946 8.255 121 HB3 HIS 17 HB3 HIS 17 -4.287 10.251 9.386 122 HD1 HIS 17 HD1 HIS 17 -5.966 10.235 11.570 123 HD2 HIS 17 HD2 HIS 17 -5.615 6.753 9.370 124 HE1 HIS 17 HE1 HIS 17 -6.870 8.436 13.038 125 HE2 HIS 17 HE2 HIS 17 -7.048 6.469 11.507 126 H ILE 18 H ILE 18 -6.218 8.597 6.665 127 HA ILE 18 HA ILE 18 -9.004 7.945 7.316 128 HB ILE 18 HB ILE 18 -9.351 7.260 4.968 129 HG12 ILE 18 HG12 ILE 18 -6.785 8.780 4.422 130 HG13 ILE 18 HG13 ILE 18 -6.945 7.028 4.361 131 HG21 ILE 18 HG21 ILE 18 -10.236 9.370 5.731 132 HG22 ILE 18 HG22 ILE 18 -9.665 9.542 4.071 133 HG23 ILE 18 HG23 ILE 18 -8.696 10.170 5.407 134 HD11 ILE 18 HD11 ILE 18 -6.993 8.004 2.139 135 HD12 ILE 18 HD12 ILE 18 -8.368 9.011 2.590 136 HD13 ILE 18 HD13 ILE 18 -8.545 7.256 2.518 137 H ASN 19 H ASN 19 -9.546 5.702 6.490 138 HA ASN 19 HA ASN 19 -7.363 3.925 7.283 139 HB2 ASN 19 HB2 ASN 19 -10.296 3.272 6.895 140 HB3 ASN 19 HB3 ASN 19 -9.080 2.254 7.663 141 HD21 ASN 19 HD21 ASN 19 -11.154 5.006 8.008 142 HD22 ASN 19 HD22 ASN 19 -10.908 5.244 9.694 143 H LEU 20 H LEU 20 -6.669 2.283 5.941 144 HA LEU 20 HA LEU 20 -7.916 2.136 3.291 145 HB2 LEU 20 HB2 LEU 20 -5.124 2.835 3.915 146 HB3 LEU 20 HB3 LEU 20 -5.313 1.607 2.682 147 HG LEU 20 HG LEU 20 -5.130 3.675 1.545 148 HD11 LEU 20 HD11 LEU 20 -8.080 3.084 1.641 149 HD12 LEU 20 HD12 LEU 20 -6.896 2.144 0.737 150 HD13 LEU 20 HD13 LEU 20 -7.175 3.835 0.329 151 HD21 LEU 20 HD21 LEU 20 -6.571 5.598 2.004 152 HD22 LEU 20 HD22 LEU 20 -5.562 5.179 3.387 153 HD23 LEU 20 HD23 LEU 20 -7.270 4.738 3.375 154 H LYS 21 H LYS 21 -7.402 0.193 2.114 155 HA LYS 21 HA LYS 21 -6.631 -2.060 3.814 156 HB2 LYS 21 HB2 LYS 21 -9.055 -1.897 2.041 157 HB3 LYS 21 HB3 LYS 21 -8.491 -3.364 2.829 158 HG2 LYS 21 HG2 LYS 21 -8.985 -2.554 4.938 159 HG3 LYS 21 HG3 LYS 21 -9.171 -0.901 4.357 160 HD2 LYS 21 HD2 LYS 21 -11.355 -1.776 4.785 161 HD3 LYS 21 HD3 LYS 21 -11.146 -1.660 3.041 162 HE2 LYS 21 HE2 LYS 21 -10.704 -4.032 2.902 163 HE3 LYS 21 HE3 LYS 21 -10.782 -4.179 4.660 164 HZ1 LYS 21 HZ1 LYS 21 -13.111 -3.464 4.547 165 HZ2 LYS 21 HZ2 LYS 21 -12.860 -4.877 3.665 166 HZ3 LYS 21 HZ3 LYS 21 -13.021 -3.398 2.861 167 H VAL 22 H VAL 22 -5.759 -3.777 2.686 168 HA VAL 22 HA VAL 22 -5.270 -3.302 -0.168 169 HB VAL 22 HB VAL 22 -3.186 -4.199 1.844 170 HG11 VAL 22 HG11 VAL 22 -3.029 -5.507 -0.193 171 HG12 VAL 22 HG12 VAL 22 -1.676 -4.387 -0.047 172 HG13 VAL 22 HG13 VAL 22 -3.005 -4.027 -1.150 173 HG21 VAL 22 HG21 VAL 22 -3.190 -1.848 -0.041 174 HG22 VAL 22 HG22 VAL 22 -1.981 -2.225 1.189 175 HG23 VAL 22 HG23 VAL 22 -3.611 -1.754 1.665 176 H ALA 23 H ALA 23 -6.093 -4.887 -1.276 177 HA ALA 23 HA ALA 23 -6.559 -7.463 -0.024 178 HB1 ALA 23 HB1 ALA 23 -7.326 -6.467 -2.772 179 HB2 ALA 23 HB2 ALA 23 -8.362 -6.441 -1.342 180 HB3 ALA 23 HB3 ALA 23 -7.842 -7.981 -2.024 181 H GLY 24 H GLY 24 -5.377 -9.149 -0.380 182 HA2 GLY 24 HA2 GLY 24 -3.054 -8.826 -2.106 183 HA3 GLY 24 HA3 GLY 24 -3.246 -10.044 -0.853 184 H GLN 25 H GLN 25 -2.450 -10.520 -3.539 185 HA GLN 25 HA GLN 25 -4.566 -11.532 -5.097 186 HB2 GLN 25 HB2 GLN 25 -2.748 -12.835 -6.272 187 HB3 GLN 25 HB3 GLN 25 -2.516 -11.093 -6.201 188 HG2 GLN 25 HG2 GLN 25 -0.411 -11.994 -5.751 189 HG3 GLN 25 HG3 GLN 25 -1.039 -11.532 -4.172 190 HE21 GLN 25 HE21 GLN 25 0.142 -12.944 -2.999 191 HE22 GLN 25 HE22 GLN 25 -0.027 -14.660 -3.087 192 H ASP 26 H ASP 26 -3.296 -12.610 -2.226 193 HA ASP 26 HA ASP 26 -3.728 -15.422 -2.551 194 HB2 ASP 26 HB2 ASP 26 -2.095 -14.455 -0.930 195 HB3 ASP 26 HB3 ASP 26 -3.445 -13.805 -0.007 196 H GLY 27 H GLY 27 -5.692 -12.683 -1.906 197 HA2 GLY 27 HA2 GLY 27 -8.065 -12.862 -2.039 198 HA3 GLY 27 HA3 GLY 27 -7.960 -14.465 -1.334 199 H SER 28 H SER 28 -5.970 -12.316 0.272 200 HA SER 28 HA SER 28 -8.006 -11.929 2.361 201 HB2 SER 28 HB2 SER 28 -6.113 -13.412 2.999 202 HB3 SER 28 HB3 SER 28 -5.010 -12.064 2.728 203 HG SER 28 HG SER 28 -5.414 -11.588 4.734 204 H VAL 29 H VAL 29 -7.840 -9.995 3.613 205 HA VAL 29 HA VAL 29 -6.463 -7.834 2.203 206 HB VAL 29 HB VAL 29 -8.872 -7.898 1.567 207 HG11 VAL 29 HG11 VAL 29 -9.291 -7.190 4.470 208 HG12 VAL 29 HG12 VAL 29 -9.880 -8.632 3.639 209 HG13 VAL 29 HG13 VAL 29 -10.530 -7.043 3.224 210 HG21 VAL 29 HG21 VAL 29 -9.269 -5.473 1.923 211 HG22 VAL 29 HG22 VAL 29 -7.634 -5.836 1.363 212 HG23 VAL 29 HG23 VAL 29 -7.920 -5.457 3.061 213 H VAL 30 H VAL 30 -5.420 -6.410 3.490 214 HA VAL 30 HA VAL 30 -5.766 -6.713 6.365 215 HB VAL 30 HB VAL 30 -3.474 -6.954 5.413 216 HG11 VAL 30 HG11 VAL 30 -2.269 -5.005 4.592 217 HG12 VAL 30 HG12 VAL 30 -3.741 -4.042 4.713 218 HG13 VAL 30 HG13 VAL 30 -3.660 -5.382 3.571 219 HG21 VAL 30 HG21 VAL 30 -3.908 -4.619 7.268 220 HG22 VAL 30 HG22 VAL 30 -2.350 -5.383 6.979 221 HG23 VAL 30 HG23 VAL 30 -3.657 -6.307 7.719 222 H GLN 31 H GLN 31 -6.317 -4.980 7.689 223 HA GLN 31 HA GLN 31 -7.134 -2.535 6.310 224 HB2 GLN 31 HB2 GLN 31 -8.108 -3.509 8.972 225 HB3 GLN 31 HB3 GLN 31 -8.826 -2.279 7.942 226 HG2 GLN 31 HG2 GLN 31 -9.271 -4.021 6.243 227 HG3 GLN 31 HG3 GLN 31 -8.685 -5.226 7.382 228 HE21 GLN 31 HE21 GLN 31 -11.182 -2.968 6.649 229 HE22 GLN 31 HE22 GLN 31 -12.336 -3.633 7.733 230 H PHE 32 H PHE 32 -6.233 -0.707 6.905 231 HA PHE 32 HA PHE 32 -4.774 -0.433 9.414 232 HB2 PHE 32 HB2 PHE 32 -2.700 0.295 8.228 233 HB3 PHE 32 HB3 PHE 32 -3.047 -1.428 8.083 234 HD1 PHE 32 HD1 PHE 32 -4.296 -2.158 5.938 235 HD2 PHE 32 HD2 PHE 32 -2.265 1.558 6.323 236 HE1 PHE 32 HE1 PHE 32 -4.215 -1.957 3.500 237 HE2 PHE 32 HE2 PHE 32 -2.177 1.764 3.906 238 HZ PHE 32 HZ PHE 32 -3.146 0.012 2.477 239 H LYS 33 H LYS 33 -3.749 1.792 9.571 240 HA LYS 33 HA LYS 33 -5.567 3.726 8.300 241 HB2 LYS 33 HB2 LYS 33 -4.169 4.077 10.956 242 HB3 LYS 33 HB3 LYS 33 -5.455 5.070 10.285 243 HG2 LYS 33 HG2 LYS 33 -6.891 2.966 10.360 244 HG3 LYS 33 HG3 LYS 33 -5.625 2.293 11.376 245 HD2 LYS 33 HD2 LYS 33 -7.138 4.838 11.979 246 HD3 LYS 33 HD3 LYS 33 -7.477 3.266 12.696 247 HE2 LYS 33 HE2 LYS 33 -5.194 3.234 13.629 248 HE3 LYS 33 HE3 LYS 33 -4.919 4.841 12.958 249 HZ1 LYS 33 HZ1 LYS 33 -5.551 4.871 15.326 250 HZ2 LYS 33 HZ2 LYS 33 -7.046 4.195 14.931 251 HZ3 LYS 33 HZ3 LYS 33 -6.634 5.728 14.358 252 H ILE 34 H ILE 34 -4.719 5.487 7.258 253 HA ILE 34 HA ILE 34 -1.875 6.074 7.570 254 HB ILE 34 HB ILE 34 -1.948 4.499 5.684 255 HG12 ILE 34 HG12 ILE 34 -1.492 7.322 4.693 256 HG13 ILE 34 HG13 ILE 34 -0.339 6.396 5.644 257 HG21 ILE 34 HG21 ILE 34 -3.861 6.451 4.426 258 HG22 ILE 34 HG22 ILE 34 -4.232 4.818 4.980 259 HG23 ILE 34 HG23 ILE 34 -3.138 5.059 3.615 260 HD11 ILE 34 HD11 ILE 34 -0.141 4.772 3.859 261 HD12 ILE 34 HD12 ILE 34 0.207 6.394 3.264 262 HD13 ILE 34 HD13 ILE 34 -1.350 5.639 2.911 263 H LYS 35 H LYS 35 -1.322 8.229 7.001 264 HA LYS 35 HA LYS 35 -3.578 10.034 7.196 265 HB2 LYS 35 HB2 LYS 35 -0.678 10.781 7.052 266 HB3 LYS 35 HB3 LYS 35 -2.014 11.738 7.692 267 HG2 LYS 35 HG2 LYS 35 -2.281 9.717 9.324 268 HG3 LYS 35 HG3 LYS 35 -0.607 9.421 8.870 269 HD2 LYS 35 HD2 LYS 35 -1.584 12.068 9.932 270 HD3 LYS 35 HD3 LYS 35 -0.848 10.818 10.934 271 HE2 LYS 35 HE2 LYS 35 0.460 12.177 8.574 272 HE3 LYS 35 HE3 LYS 35 0.771 12.547 10.268 273 HZ1 LYS 35 HZ1 LYS 35 1.583 10.281 10.567 274 HZ2 LYS 35 HZ2 LYS 35 2.464 11.087 9.368 275 HZ3 LYS 35 HZ3 LYS 35 1.302 9.944 8.934 276 H ARG 36 H ARG 36 -3.797 11.909 5.867 277 HA ARG 36 HA ARG 36 -3.880 11.252 3.146 278 HB2 ARG 36 HB2 ARG 36 -3.981 14.046 4.281 279 HB3 ARG 36 HB3 ARG 36 -4.719 13.472 2.801 280 HG2 ARG 36 HG2 ARG 36 -5.559 12.908 5.627 281 HG3 ARG 36 HG3 ARG 36 -6.463 13.736 4.362 282 HD2 ARG 36 HD2 ARG 36 -5.760 10.805 4.491 283 HD3 ARG 36 HD3 ARG 36 -7.359 11.515 4.672 284 HE ARG 36 HE ARG 36 -5.920 11.021 2.210 285 HH11 ARG 36 HH11 ARG 36 -8.597 12.764 3.686 286 HH12 ARG 36 HH12 ARG 36 -9.470 12.930 2.204 287 HH21 ARG 36 HH21 ARG 36 -7.121 11.230 0.235 288 HH22 ARG 36 HH22 ARG 36 -8.645 12.052 0.264 289 H HIS 37 H HIS 37 -1.659 13.227 5.033 290 HA HIS 37 HA HIS 37 -0.076 13.879 2.679 291 HB2 HIS 37 HB2 HIS 37 0.113 14.664 5.579 292 HB3 HIS 37 HB3 HIS 37 1.368 15.080 4.418 293 HD1 HIS 37 HD1 HIS 37 0.989 17.120 3.018 294 HD2 HIS 37 HD2 HIS 37 -2.463 15.896 4.973 295 HE1 HIS 37 HE1 HIS 37 -0.692 18.951 2.637 296 HE2 HIS 37 HE2 HIS 37 -2.831 18.058 3.613 297 H THR 38 H THR 38 -0.319 11.174 4.295 298 HA THR 38 HA THR 38 2.507 10.718 4.725 299 HB THR 38 HB THR 38 0.038 9.166 5.519 300 HG1 THR 38 HG1 THR 38 2.241 10.262 6.946 301 HG21 THR 38 HG21 THR 38 1.532 7.447 6.460 302 HG22 THR 38 HG22 THR 38 2.926 8.269 5.748 303 HG23 THR 38 HG23 THR 38 1.708 7.542 4.705 304 HA PRO 39 HA PRO 39 2.907 8.907 0.697 305 HB2 PRO 39 HB2 PRO 39 5.258 7.600 1.150 306 HB3 PRO 39 HB3 PRO 39 5.155 9.334 0.818 307 HG2 PRO 39 HG2 PRO 39 5.432 7.905 3.431 308 HG3 PRO 39 HG3 PRO 39 6.238 9.380 2.872 309 HD2 PRO 39 HD2 PRO 39 4.148 9.445 4.558 310 HD3 PRO 39 HD3 PRO 39 4.405 10.706 3.340 311 H LEU 40 H LEU 40 2.668 6.949 -0.318 312 HA LEU 40 HA LEU 40 1.390 4.877 1.113 313 HB2 LEU 40 HB2 LEU 40 2.481 4.965 -1.696 314 HB3 LEU 40 HB3 LEU 40 1.545 3.628 -1.057 315 HG LEU 40 HG LEU 40 0.515 6.441 -1.240 316 HD11 LEU 40 HD11 LEU 40 0.093 4.140 -3.128 317 HD12 LEU 40 HD12 LEU 40 1.009 5.608 -3.468 318 HD13 LEU 40 HD13 LEU 40 -0.732 5.697 -3.200 319 HD21 LEU 40 HD21 LEU 40 -0.560 4.944 0.409 320 HD22 LEU 40 HD22 LEU 40 -0.953 3.854 -0.930 321 HD23 LEU 40 HD23 LEU 40 -1.637 5.476 -0.883 322 H SER 41 H SER 41 4.679 5.569 0.671 323 HA SER 41 HA SER 41 5.996 3.190 0.431 324 HB2 SER 41 HB2 SER 41 6.721 5.338 2.437 325 HB3 SER 41 HB3 SER 41 7.821 4.213 1.644 326 HG SER 41 HG SER 41 7.994 5.686 0.168 327 HH31 ALY 42 HH31 ALY 42 -0.194 0.493 10.405 328 HH32 ALY 42 HH32 ALY 42 0.017 0.208 8.665 329 HH33 ALY 42 HH33 ALY 42 -1.328 1.200 9.267 330 HZ ALY 42 HZ ALY 42 -0.115 2.522 7.494 331 HE3 ALY 42 HE3 ALY 42 1.737 4.462 8.197 332 HE2 ALY 42 HE2 ALY 42 2.628 2.981 7.845 333 HD3 ALY 42 HD3 ALY 42 1.576 2.882 5.629 334 HD2 ALY 42 HD2 ALY 42 0.697 4.368 5.985 335 HG3 ALY 42 HG3 ALY 42 2.662 4.812 4.597 336 HG2 ALY 42 HG2 ALY 42 2.831 5.573 6.173 337 HB3 ALY 42 HB3 ALY 42 4.907 4.653 5.888 338 HB2 ALY 42 HB2 ALY 42 4.101 3.383 6.778 339 HCA ALY 42 HCA ALY 42 5.374 2.352 5.029 340 H ALY 42 H ALY 42 4.576 4.543 3.403 341 H LEU 43 H LEU 43 2.531 3.146 3.162 342 HA LEU 43 HA LEU 43 0.791 1.171 4.145 343 HB2 LEU 43 HB2 LEU 43 -0.141 2.939 2.857 344 HB3 LEU 43 HB3 LEU 43 0.945 2.642 1.519 345 HG LEU 43 HG LEU 43 -1.072 0.538 2.251 346 HD11 LEU 43 HD11 LEU 43 -1.607 3.015 0.632 347 HD12 LEU 43 HD12 LEU 43 -2.397 2.567 2.142 348 HD13 LEU 43 HD13 LEU 43 -2.648 1.601 0.684 349 HD21 LEU 43 HD21 LEU 43 -0.992 0.157 -0.184 350 HD22 LEU 43 HD22 LEU 43 0.606 0.033 0.554 351 HD23 LEU 43 HD23 LEU 43 0.151 1.500 -0.338 352 H MET 44 H MET 44 2.925 1.130 1.281 353 HA MET 44 HA MET 44 2.369 -1.506 0.522 354 HB2 MET 44 HB2 MET 44 4.777 0.240 0.082 355 HB3 MET 44 HB3 MET 44 4.756 -1.428 -0.465 356 HG2 MET 44 HG2 MET 44 4.094 -0.291 -2.353 357 HG3 MET 44 HG3 MET 44 2.553 -0.760 -1.634 358 HE1 MET 44 HE1 MET 44 1.838 2.709 -3.287 359 HE2 MET 44 HE2 MET 44 1.430 0.993 -3.272 360 HE3 MET 44 HE3 MET 44 3.002 1.525 -3.876 361 H LYS 45 H LYS 45 4.960 -0.259 2.595 362 HA LYS 45 HA LYS 45 6.103 -2.770 3.099 363 HB2 LYS 45 HB2 LYS 45 7.317 -0.690 3.505 364 HB3 LYS 45 HB3 LYS 45 6.185 -0.260 4.780 365 HG2 LYS 45 HG2 LYS 45 8.321 -1.109 5.641 366 HG3 LYS 45 HG3 LYS 45 6.956 -2.111 6.143 367 HD2 LYS 45 HD2 LYS 45 8.716 -3.584 5.515 368 HD3 LYS 45 HD3 LYS 45 7.535 -3.626 4.207 369 HE2 LYS 45 HE2 LYS 45 9.801 -3.500 3.311 370 HE3 LYS 45 HE3 LYS 45 8.901 -2.035 2.931 371 HZ1 LYS 45 HZ1 LYS 45 11.150 -1.549 3.665 372 HZ2 LYS 45 HZ2 LYS 45 10.860 -2.315 5.141 373 HZ3 LYS 45 HZ3 LYS 45 10.019 -0.908 4.745 374 H ALA 46 H ALA 46 3.508 -1.039 4.681 375 HA ALA 46 HA ALA 46 3.379 -2.575 7.054 376 HB1 ALA 46 HB1 ALA 46 1.119 -1.720 7.324 377 HB2 ALA 46 HB2 ALA 46 1.112 -1.170 5.647 378 HB3 ALA 46 HB3 ALA 46 2.213 -0.435 6.813 379 H TYR 47 H TYR 47 1.590 -2.883 3.980 380 HA TYR 47 HA TYR 47 0.194 -5.207 4.730 381 HB2 TYR 47 HB2 TYR 47 -0.716 -4.101 2.895 382 HB3 TYR 47 HB3 TYR 47 0.843 -3.935 2.086 383 HD1 TYR 47 HD1 TYR 47 -1.893 -6.275 2.890 384 HD2 TYR 47 HD2 TYR 47 1.673 -5.666 0.659 385 HE1 TYR 47 HE1 TYR 47 -2.377 -8.294 1.590 386 HE2 TYR 47 HE2 TYR 47 1.200 -7.682 -0.659 387 HH TYR 47 HH TYR 47 -0.077 -9.783 -0.396 388 H CYS 48 H CYS 48 3.291 -4.694 3.162 389 HA CYS 48 HA CYS 48 3.758 -7.373 2.393 390 HB2 CYS 48 HB2 CYS 48 5.734 -5.167 2.977 391 HB3 CYS 48 HB3 CYS 48 6.135 -6.694 2.193 392 HG CYS 48 HG CYS 48 4.142 -4.213 0.986 393 H GLU 49 H GLU 49 4.384 -5.636 5.345 394 HA GLU 49 HA GLU 49 5.935 -7.656 6.599 395 HB2 GLU 49 HB2 GLU 49 4.316 -5.378 7.722 396 HB3 GLU 49 HB3 GLU 49 5.411 -6.382 8.665 397 HG2 GLU 49 HG2 GLU 49 6.298 -4.875 6.247 398 HG3 GLU 49 HG3 GLU 49 6.283 -4.148 7.847 399 H ARG 50 H ARG 50 2.512 -6.809 6.600 400 HA ARG 50 HA ARG 50 1.697 -8.634 8.605 401 HB2 ARG 50 HB2 ARG 50 0.092 -7.490 6.327 402 HB3 ARG 50 HB3 ARG 50 -0.569 -8.261 7.758 403 HG2 ARG 50 HG2 ARG 50 0.984 -5.689 7.664 404 HG3 ARG 50 HG3 ARG 50 -0.751 -5.860 7.909 405 HD2 ARG 50 HD2 ARG 50 0.000 -5.577 10.059 406 HD3 ARG 50 HD3 ARG 50 -0.051 -7.328 9.939 407 HE ARG 50 HE ARG 50 2.411 -5.727 9.658 408 HH11 ARG 50 HH11 ARG 50 0.761 -8.641 10.752 409 HH12 ARG 50 HH12 ARG 50 2.166 -9.293 11.513 410 HH21 ARG 50 HH21 ARG 50 4.263 -6.601 10.687 411 HH22 ARG 50 HH22 ARG 50 4.170 -8.136 11.478 412 H GLN 51 H GLN 51 1.684 -8.822 5.094 413 HA GLN 51 HA GLN 51 0.604 -11.499 5.132 414 HB2 GLN 51 HB2 GLN 51 1.011 -9.436 3.146 415 HB3 GLN 51 HB3 GLN 51 1.541 -11.003 2.553 416 HG2 GLN 51 HG2 GLN 51 -0.775 -10.559 1.964 417 HG3 GLN 51 HG3 GLN 51 -0.634 -11.955 3.027 418 HE21 GLN 51 HE21 GLN 51 -0.385 -8.658 4.163 419 HE22 GLN 51 HE22 GLN 51 -1.878 -8.647 5.036 420 H GLY 52 H GLY 52 3.734 -10.155 5.284 421 HA2 GLY 52 HA2 GLY 52 5.752 -11.242 5.523 422 HA3 GLY 52 HA3 GLY 52 4.882 -12.769 5.431 423 H LEU 53 H LEU 53 5.586 -10.044 3.278 424 HA LEU 53 HA LEU 53 6.790 -11.834 1.394 425 HB2 LEU 53 HB2 LEU 53 5.331 -11.002 -0.511 426 HB3 LEU 53 HB3 LEU 53 4.622 -12.179 0.568 427 HG LEU 53 HG LEU 53 3.479 -10.224 1.729 428 HD11 LEU 53 HD11 LEU 53 3.201 -8.196 0.421 429 HD12 LEU 53 HD12 LEU 53 4.343 -8.819 -0.780 430 HD13 LEU 53 HD13 LEU 53 4.892 -8.457 0.857 431 HD21 LEU 53 HD21 LEU 53 2.810 -10.818 -1.151 432 HD22 LEU 53 HD22 LEU 53 1.713 -10.105 0.031 433 HD23 LEU 53 HD23 LEU 53 2.295 -11.755 0.253 434 H SER 54 H SER 54 7.448 -10.486 -0.643 435 HA SER 54 HA SER 54 8.748 -8.098 0.429 436 HB2 SER 54 HB2 SER 54 9.297 -9.821 -1.977 437 HB3 SER 54 HB3 SER 54 10.213 -8.368 -1.598 438 HG SER 54 HG SER 54 10.108 -9.844 0.600 439 H MET 55 H MET 55 8.335 -6.070 -0.310 440 HA MET 55 HA MET 55 6.092 -5.562 -1.946 441 HB2 MET 55 HB2 MET 55 6.811 -3.187 -1.927 442 HB3 MET 55 HB3 MET 55 6.736 -3.907 -0.327 443 HG2 MET 55 HG2 MET 55 9.040 -3.904 -0.078 444 HG3 MET 55 HG3 MET 55 9.330 -3.767 -1.815 445 HE1 MET 55 HE1 MET 55 7.693 -0.330 0.793 446 HE2 MET 55 HE2 MET 55 7.901 -1.996 1.343 447 HE3 MET 55 HE3 MET 55 6.667 -1.609 0.152 448 H ARG 56 H ARG 56 9.438 -6.020 -2.693 449 HA ARG 56 HA ARG 56 9.336 -4.855 -5.301 450 HB2 ARG 56 HB2 ARG 56 11.520 -5.840 -5.644 451 HB3 ARG 56 HB3 ARG 56 11.445 -5.133 -4.036 452 HG2 ARG 56 HG2 ARG 56 11.131 -7.324 -3.058 453 HG3 ARG 56 HG3 ARG 56 11.122 -8.056 -4.662 454 HD2 ARG 56 HD2 ARG 56 13.284 -8.366 -3.705 455 HD3 ARG 56 HD3 ARG 56 13.411 -7.180 -5.003 456 HE ARG 56 HE ARG 56 13.022 -5.967 -2.445 457 HH11 ARG 56 HH11 ARG 56 15.438 -7.340 -4.601 458 HH12 ARG 56 HH12 ARG 56 16.757 -6.494 -3.856 459 HH21 ARG 56 HH21 ARG 56 14.782 -4.838 -1.479 460 HH22 ARG 56 HH22 ARG 56 16.383 -5.067 -2.086 461 H GLN 57 H GLN 57 7.940 -7.590 -4.061 462 HA GLN 57 HA GLN 57 8.070 -9.045 -6.616 463 HB2 GLN 57 HB2 GLN 57 7.236 -10.034 -3.890 464 HB3 GLN 57 HB3 GLN 57 7.362 -11.009 -5.348 465 HG2 GLN 57 HG2 GLN 57 9.663 -9.572 -4.054 466 HG3 GLN 57 HG3 GLN 57 9.249 -11.264 -3.768 467 HE21 GLN 57 HE21 GLN 57 10.437 -8.952 -6.070 468 HE22 GLN 57 HE22 GLN 57 11.151 -10.091 -7.150 469 H ILE 58 H ILE 58 6.191 -6.774 -5.311 470 HA ILE 58 HA ILE 58 3.745 -7.967 -6.373 471 HB ILE 58 HB ILE 58 2.446 -6.890 -4.518 472 HG12 ILE 58 HG12 ILE 58 5.100 -6.847 -3.108 473 HG13 ILE 58 HG13 ILE 58 4.296 -5.416 -3.751 474 HG21 ILE 58 HG21 ILE 58 3.002 -8.677 -2.820 475 HG22 ILE 58 HG22 ILE 58 4.264 -9.199 -3.942 476 HG23 ILE 58 HG23 ILE 58 2.562 -9.207 -4.442 477 HD11 ILE 58 HD11 ILE 58 3.940 -5.647 -1.358 478 HD12 ILE 58 HD12 ILE 58 3.216 -7.236 -1.617 479 HD13 ILE 58 HD13 ILE 58 2.423 -5.793 -2.246 480 H ARG 59 H ARG 59 2.035 -6.263 -6.464 481 HA ARG 59 HA ARG 59 3.012 -3.555 -6.856 482 HB2 ARG 59 HB2 ARG 59 1.740 -5.198 -9.025 483 HB3 ARG 59 HB3 ARG 59 1.681 -3.443 -9.035 484 HG2 ARG 59 HG2 ARG 59 4.110 -5.197 -9.160 485 HG3 ARG 59 HG3 ARG 59 3.492 -4.122 -10.417 486 HD2 ARG 59 HD2 ARG 59 3.893 -2.210 -8.836 487 HD3 ARG 59 HD3 ARG 59 4.681 -3.353 -7.758 488 HE ARG 59 HE ARG 59 5.634 -2.821 -10.485 489 HH11 ARG 59 HH11 ARG 59 6.259 -3.368 -7.059 490 HH12 ARG 59 HH12 ARG 59 7.977 -3.276 -7.240 491 HH21 ARG 59 HH21 ARG 59 7.897 -2.728 -10.704 492 HH22 ARG 59 HH22 ARG 59 8.907 -2.925 -9.313 493 H PHE 60 H PHE 60 1.447 -1.969 -6.737 494 HA PHE 60 HA PHE 60 -1.095 -2.894 -5.600 495 HB2 PHE 60 HB2 PHE 60 0.494 -0.377 -4.985 496 HB3 PHE 60 HB3 PHE 60 -1.112 -0.717 -4.378 497 HD1 PHE 60 HD1 PHE 60 2.224 -2.388 -4.528 498 HD2 PHE 60 HD2 PHE 60 -1.268 -1.525 -2.264 499 HE1 PHE 60 HE1 PHE 60 3.205 -3.540 -2.585 500 HE2 PHE 60 HE2 PHE 60 -0.294 -2.678 -0.312 501 HZ PHE 60 HZ PHE 60 1.949 -3.688 -0.477 502 H ARG 61 H ARG 61 -2.865 -2.320 -6.648 503 HA ARG 61 HA ARG 61 -2.726 0.044 -8.385 504 HB2 ARG 61 HB2 ARG 61 -3.978 -1.049 -10.147 505 HB3 ARG 61 HB3 ARG 61 -2.529 -1.963 -9.765 506 HG2 ARG 61 HG2 ARG 61 -3.869 -3.731 -9.785 507 HG3 ARG 61 HG3 ARG 61 -4.302 -3.165 -8.177 508 HD2 ARG 61 HD2 ARG 61 -6.256 -2.056 -9.034 509 HD3 ARG 61 HD3 ARG 61 -5.769 -2.398 -10.700 510 HE ARG 61 HE ARG 61 -5.973 -4.814 -9.265 511 HH11 ARG 61 HH11 ARG 61 -8.050 -2.321 -10.634 512 HH12 ARG 61 HH12 ARG 61 -9.397 -3.379 -10.823 513 HH21 ARG 61 HH21 ARG 61 -7.766 -6.201 -9.521 514 HH22 ARG 61 HH22 ARG 61 -9.241 -5.586 -10.191 515 H PHE 62 H PHE 62 -4.392 1.377 -8.413 516 HA PHE 62 HA PHE 62 -6.833 0.668 -6.967 517 HB2 PHE 62 HB2 PHE 62 -5.421 1.789 -5.325 518 HB3 PHE 62 HB3 PHE 62 -5.097 3.093 -6.457 519 HD1 PHE 62 HD1 PHE 62 -7.673 1.552 -4.337 520 HD2 PHE 62 HD2 PHE 62 -6.606 4.890 -6.741 521 HE1 PHE 62 HE1 PHE 62 -9.606 2.799 -3.464 522 HE2 PHE 62 HE2 PHE 62 -8.533 6.145 -5.871 523 HZ PHE 62 HZ PHE 62 -10.036 5.099 -4.231 524 H ASP 63 H ASP 63 -8.593 1.405 -7.998 525 HA ASP 63 HA ASP 63 -9.963 2.553 -9.436 526 HB2 ASP 63 HB2 ASP 63 -8.529 4.541 -8.363 527 HB3 ASP 63 HB3 ASP 63 -7.924 4.645 -9.993 528 H GLY 64 H GLY 64 -7.934 0.588 -10.401 529 HA2 GLY 64 HA2 GLY 64 -7.479 -0.231 -12.485 530 HA3 GLY 64 HA3 GLY 64 -8.148 1.251 -13.156 531 H GLN 65 H GLN 65 -6.009 2.397 -11.014 532 HA GLN 65 HA GLN 65 -3.816 2.295 -12.973 533 HB2 GLN 65 HB2 GLN 65 -3.241 4.609 -12.260 534 HB3 GLN 65 HB3 GLN 65 -4.791 4.482 -13.075 535 HG2 GLN 65 HG2 GLN 65 -5.913 4.529 -10.897 536 HG3 GLN 65 HG3 GLN 65 -4.354 4.734 -10.107 537 HE21 GLN 65 HE21 GLN 65 -6.777 6.182 -12.071 538 HE22 GLN 65 HE22 GLN 65 -6.222 7.813 -11.934 539 HA PRO 66 HA PRO 66 -1.320 0.868 -9.640 540 HB2 PRO 66 HB2 PRO 66 1.117 1.300 -10.703 541 HB3 PRO 66 HB3 PRO 66 0.039 0.041 -11.314 542 HG2 PRO 66 HG2 PRO 66 0.543 2.783 -12.408 543 HG3 PRO 66 HG3 PRO 66 0.410 1.241 -13.274 544 HD2 PRO 66 HD2 PRO 66 -1.631 3.048 -13.092 545 HD3 PRO 66 HD3 PRO 66 -1.882 1.295 -13.257 546 H ILE 67 H ILE 67 -0.243 1.678 -7.881 547 HA ILE 67 HA ILE 67 0.403 4.548 -7.927 548 HB ILE 67 HB ILE 67 -0.211 4.674 -5.504 549 HG12 ILE 67 HG12 ILE 67 -0.285 2.085 -5.282 550 HG13 ILE 67 HG13 ILE 67 -1.463 3.039 -4.390 551 HG21 ILE 67 HG21 ILE 67 -2.442 4.132 -7.445 552 HG22 ILE 67 HG22 ILE 67 -1.623 5.672 -7.163 553 HG23 ILE 67 HG23 ILE 67 -2.619 4.956 -5.895 554 HD11 ILE 67 HD11 ILE 67 -1.950 1.600 -6.990 555 HD12 ILE 67 HD12 ILE 67 -3.141 2.536 -6.088 556 HD13 ILE 67 HD13 ILE 67 -2.463 1.066 -5.391 557 H ASN 68 H ASN 68 2.293 5.085 -7.285 558 HA ASN 68 HA ASN 68 4.093 3.018 -6.346 559 HB2 ASN 68 HB2 ASN 68 5.669 5.198 -6.495 560 HB3 ASN 68 HB3 ASN 68 5.298 4.174 -7.876 561 HD21 ASN 68 HD21 ASN 68 4.601 7.179 -6.279 562 HD22 ASN 68 HD22 ASN 68 3.811 7.936 -7.612 563 H GLU 69 H GLU 69 5.525 3.360 -4.560 564 HA GLU 69 HA GLU 69 4.210 3.952 -2.181 565 HB2 GLU 69 HB2 GLU 69 6.600 3.968 -1.227 566 HB3 GLU 69 HB3 GLU 69 6.010 2.490 -1.979 567 HG2 GLU 69 HG2 GLU 69 7.240 2.919 -3.948 568 HG3 GLU 69 HG3 GLU 69 7.685 4.537 -3.409 569 H THR 70 H THR 70 5.955 6.049 -4.297 570 HA THR 70 HA THR 70 6.513 8.087 -2.386 571 HB THR 70 HB THR 70 7.099 9.454 -4.369 572 HG1 THR 70 HG1 THR 70 6.178 8.932 -6.196 573 HG21 THR 70 HG21 THR 70 8.927 8.051 -5.161 574 HG22 THR 70 HG22 THR 70 8.116 6.615 -4.538 575 HG23 THR 70 HG23 THR 70 8.720 7.841 -3.420 576 H ASP 71 H ASP 71 3.710 7.148 -4.114 577 HA ASP 71 HA ASP 71 2.503 9.750 -4.259 578 HB2 ASP 71 HB2 ASP 71 1.644 6.958 -4.902 579 HB3 ASP 71 HB3 ASP 71 0.408 8.195 -4.743 580 H THR 72 H THR 72 0.539 10.308 -3.155 581 HA THR 72 HA THR 72 0.322 9.086 -0.482 582 HB THR 72 HB THR 72 -0.653 11.350 0.170 583 HG1 THR 72 HG1 THR 72 0.059 13.084 -1.256 584 HG21 THR 72 HG21 THR 72 1.585 12.425 0.357 585 HG22 THR 72 HG22 THR 72 2.236 11.167 -0.700 586 HG23 THR 72 HG23 THR 72 1.567 10.743 0.883 587 HA PRO 73 HA PRO 73 -3.923 8.125 -1.377 588 HB2 PRO 73 HB2 PRO 73 -5.074 8.450 1.085 589 HB3 PRO 73 HB3 PRO 73 -4.078 7.055 0.656 590 HG2 PRO 73 HG2 PRO 73 -3.338 9.517 2.182 591 HG3 PRO 73 HG3 PRO 73 -2.899 7.829 2.498 592 HD2 PRO 73 HD2 PRO 73 -1.201 9.573 1.341 593 HD3 PRO 73 HD3 PRO 73 -1.206 7.845 0.938 594 H ALA 74 H ALA 74 -2.917 11.189 -0.400 595 HA ALA 74 HA ALA 74 -5.566 12.405 -0.638 596 HB1 ALA 74 HB1 ALA 74 -2.937 13.770 -0.105 597 HB2 ALA 74 HB2 ALA 74 -3.969 13.103 1.149 598 HB3 ALA 74 HB3 ALA 74 -4.558 14.426 0.139 599 H GLN 75 H GLN 75 -2.697 11.828 -2.431 600 HA GLN 75 HA GLN 75 -2.736 13.973 -4.236 601 HB2 GLN 75 HB2 GLN 75 -0.947 12.167 -3.773 602 HB3 GLN 75 HB3 GLN 75 -1.828 11.207 -4.947 603 HG2 GLN 75 HG2 GLN 75 -1.497 13.009 -6.601 604 HG3 GLN 75 HG3 GLN 75 -0.509 13.862 -5.413 605 HE21 GLN 75 HE21 GLN 75 1.451 12.922 -4.741 606 HE22 GLN 75 HE22 GLN 75 2.260 11.746 -5.714 607 H LEU 76 H LEU 76 -4.310 10.828 -4.262 608 HA LEU 76 HA LEU 76 -5.727 11.611 -6.696 609 HB2 LEU 76 HB2 LEU 76 -6.359 9.078 -6.725 610 HB3 LEU 76 HB3 LEU 76 -4.795 9.592 -7.300 611 HG LEU 76 HG LEU 76 -4.833 7.473 -5.928 612 HD11 LEU 76 HD11 LEU 76 -2.765 8.700 -6.295 613 HD12 LEU 76 HD12 LEU 76 -2.802 7.960 -4.694 614 HD13 LEU 76 HD13 LEU 76 -3.093 9.687 -4.870 615 HD21 LEU 76 HD21 LEU 76 -5.454 9.409 -3.713 616 HD22 LEU 76 HD22 LEU 76 -4.831 7.785 -3.453 617 HD23 LEU 76 HD23 LEU 76 -6.405 8.013 -4.220 618 H GLU 77 H GLU 77 -6.100 11.770 -3.542 619 HA GLU 77 HA GLU 77 -7.778 11.801 -2.033 620 HB2 GLU 77 HB2 GLU 77 -9.205 12.766 -4.499 621 HB3 GLU 77 HB3 GLU 77 -9.913 12.819 -2.889 622 HG2 GLU 77 HG2 GLU 77 -8.073 14.232 -2.128 623 HG3 GLU 77 HG3 GLU 77 -7.376 14.189 -3.748 624 H MET 78 H MET 78 -7.479 9.359 -2.178 625 HA MET 78 HA MET 78 -9.709 7.884 -3.225 626 HB2 MET 78 HB2 MET 78 -8.718 5.976 -1.887 627 HB3 MET 78 HB3 MET 78 -7.676 6.670 -3.118 628 HG2 MET 78 HG2 MET 78 -6.444 7.891 -1.455 629 HG3 MET 78 HG3 MET 78 -7.557 7.351 -0.198 630 HE1 MET 78 HE1 MET 78 -6.526 4.936 -3.074 631 HE2 MET 78 HE2 MET 78 -5.012 4.250 -2.487 632 HE3 MET 78 HE3 MET 78 -5.076 5.935 -2.993 633 H GLU 79 H GLU 79 -10.877 6.346 -1.641 634 HA GLU 79 HA GLU 79 -12.189 8.086 0.270 635 HB2 GLU 79 HB2 GLU 79 -12.836 5.300 -0.682 636 HB3 GLU 79 HB3 GLU 79 -13.834 6.248 0.415 637 HG2 GLU 79 HG2 GLU 79 -13.119 7.094 -2.377 638 HG3 GLU 79 HG3 GLU 79 -14.600 6.244 -1.940 639 H ASP 80 H ASP 80 -12.807 7.219 2.389 640 HA ASP 80 HA ASP 80 -10.549 5.949 3.647 641 HB2 ASP 80 HB2 ASP 80 -11.860 6.239 5.744 642 HB3 ASP 80 HB3 ASP 80 -11.575 7.755 4.884 643 H GLU 81 H GLU 81 -10.488 3.961 4.422 644 HA GLU 81 HA GLU 81 -10.950 1.799 4.782 645 HB2 GLU 81 HB2 GLU 81 -13.849 2.525 4.318 646 HB3 GLU 81 HB3 GLU 81 -13.269 0.968 4.892 647 HG2 GLU 81 HG2 GLU 81 -12.217 2.302 6.816 648 HG3 GLU 81 HG3 GLU 81 -13.269 3.607 6.289 649 H ASP 82 H ASP 82 -10.812 3.295 2.074 650 HA ASP 82 HA ASP 82 -12.020 1.601 0.160 651 HB2 ASP 82 HB2 ASP 82 -10.775 4.013 0.019 652 HB3 ASP 82 HB3 ASP 82 -9.500 2.956 -0.579 653 H THR 83 H THR 83 -10.475 0.474 -1.520 654 HA THR 83 HA THR 83 -8.474 -1.055 -0.012 655 HB THR 83 HB THR 83 -10.305 -2.463 -1.938 656 HG1 THR 83 HG1 THR 83 -11.241 -1.267 0.116 657 HG21 THR 83 HG21 THR 83 -9.676 -4.407 -0.608 658 HG22 THR 83 HG22 THR 83 -8.795 -3.370 0.518 659 HG23 THR 83 HG23 THR 83 -8.221 -3.558 -1.144 660 H ILE 84 H ILE 84 -6.849 -2.045 -1.275 661 HA ILE 84 HA ILE 84 -6.582 -1.028 -4.021 662 HB ILE 84 HB ILE 84 -4.486 -1.129 -1.828 663 HG12 ILE 84 HG12 ILE 84 -4.071 1.248 -2.751 664 HG13 ILE 84 HG13 ILE 84 -5.617 1.050 -3.558 665 HG21 ILE 84 HG21 ILE 84 -3.475 -2.138 -3.774 666 HG22 ILE 84 HG22 ILE 84 -2.800 -0.532 -3.490 667 HG23 ILE 84 HG23 ILE 84 -3.985 -0.774 -4.773 668 HD11 ILE 84 HD11 ILE 84 -5.847 2.271 -1.485 669 HD12 ILE 84 HD12 ILE 84 -5.153 0.910 -0.599 670 HD13 ILE 84 HD13 ILE 84 -6.705 0.730 -1.421 671 H ASP 85 H ASP 85 -5.719 -2.510 -5.495 672 HA ASP 85 HA ASP 85 -5.856 -5.288 -4.611 673 HB2 ASP 85 HB2 ASP 85 -7.030 -4.436 -6.674 674 HB3 ASP 85 HB3 ASP 85 -5.422 -4.232 -7.371 675 H VAL 86 H VAL 86 -4.166 -6.561 -4.400 676 HA VAL 86 HA VAL 86 -1.578 -5.599 -5.370 677 HB VAL 86 HB VAL 86 -2.341 -6.927 -2.800 678 HG11 VAL 86 HG11 VAL 86 -0.754 -8.526 -3.768 679 HG12 VAL 86 HG12 VAL 86 -0.033 -7.659 -2.414 680 HG13 VAL 86 HG13 VAL 86 0.389 -7.216 -4.071 681 HG21 VAL 86 HG21 VAL 86 -0.305 -4.856 -3.565 682 HG22 VAL 86 HG22 VAL 86 -0.711 -5.357 -1.923 683 HG23 VAL 86 HG23 VAL 86 -1.917 -4.542 -2.922 684 H PHE 87 H PHE 87 -0.387 -6.865 -6.562 685 HA PHE 87 HA PHE 87 -1.090 -9.675 -6.886 686 HB2 PHE 87 HB2 PHE 87 -0.912 -9.360 -9.423 687 HB3 PHE 87 HB3 PHE 87 -2.389 -8.792 -8.655 688 HD1 PHE 87 HD1 PHE 87 -2.548 -6.310 -8.100 689 HD2 PHE 87 HD2 PHE 87 0.363 -7.913 -10.751 690 HE1 PHE 87 HE1 PHE 87 -2.231 -4.090 -9.065 691 HE2 PHE 87 HE2 PHE 87 0.688 -5.679 -11.739 692 HZ PHE 87 HZ PHE 87 -0.611 -3.764 -10.898 693 H GLN 88 H GLN 88 0.597 -10.923 -7.855 694 HA GLN 88 HA GLN 88 3.229 -9.628 -7.554 695 HB2 GLN 88 HB2 GLN 88 2.449 -12.526 -7.332 696 HB3 GLN 88 HB3 GLN 88 4.098 -11.932 -7.230 697 HG2 GLN 88 HG2 GLN 88 3.452 -10.581 -5.307 698 HG3 GLN 88 HG3 GLN 88 1.839 -11.296 -5.357 699 HE21 GLN 88 HE21 GLN 88 3.881 -11.300 -3.301 700 HE22 GLN 88 HE22 GLN 88 4.223 -12.956 -2.960 701 H GLN 89 H GLN 89 3.826 -9.002 -9.577 702 HA GLN 89 HA GLN 89 3.703 -11.062 -11.646 703 HB2 GLN 89 HB2 GLN 89 3.532 -9.170 -13.269 704 HB3 GLN 89 HB3 GLN 89 2.130 -9.409 -12.232 705 HG2 GLN 89 HG2 GLN 89 2.676 -7.571 -10.899 706 HG3 GLN 89 HG3 GLN 89 4.295 -7.460 -11.580 707 HE21 GLN 89 HE21 GLN 89 4.087 -5.439 -12.156 708 HE22 GLN 89 HE22 GLN 89 3.088 -4.865 -13.455 709 H GLN 90 H GLN 90 5.970 -10.027 -9.722 710 HA GLN 90 HA GLN 90 7.865 -9.588 -11.899 711 HB2 GLN 90 HB2 GLN 90 8.154 -8.763 -9.003 712 HB3 GLN 90 HB3 GLN 90 9.311 -8.462 -10.288 713 HG2 GLN 90 HG2 GLN 90 8.310 -6.438 -10.268 714 HG3 GLN 90 HG3 GLN 90 7.189 -7.255 -11.356 715 HE21 GLN 90 HE21 GLN 90 7.689 -6.024 -8.169 716 HE22 GLN 90 HE22 GLN 90 6.029 -6.062 -7.676 717 H THR 91 H THR 91 9.536 -10.963 -12.068 718 HA THR 91 HA THR 91 9.659 -13.107 -10.076 719 HB THR 91 HB THR 91 9.175 -13.830 -12.421 720 HG1 THR 91 HG1 THR 91 10.587 -15.539 -12.334 721 HG21 THR 91 HG21 THR 91 11.973 -12.817 -12.971 722 HG22 THR 91 HG22 THR 91 10.480 -12.141 -13.624 723 HG23 THR 91 HG23 THR 91 10.990 -13.764 -14.087 724 H GLY 92 H GLY 92 11.342 -10.542 -11.537 725 HA2 GLY 92 HA2 GLY 92 13.953 -11.313 -10.594 726 HA3 GLY 92 HA3 GLY 92 13.524 -9.780 -11.338 727 H GLY 93 H GLY 93 14.288 -8.312 -9.960 728 HA2 GLY 93 HA2 GLY 93 14.021 -6.927 -8.090 729 HA3 GLY 93 HA3 GLY 93 13.116 -8.211 -7.296 Start of MODEL 16 1 H MET 1 H MET 1 -6.498 30.056 20.091 2 HA MET 1 HA MET 1 -7.965 29.564 18.302 3 HB2 MET 1 HB2 MET 1 -6.949 31.303 16.773 4 HB3 MET 1 HB3 MET 1 -5.642 30.175 16.453 5 HG2 MET 1 HG2 MET 1 -7.278 28.573 15.543 6 HG3 MET 1 HG3 MET 1 -8.558 29.751 15.820 7 HE1 MET 1 HE1 MET 1 -9.280 29.516 13.243 8 HE2 MET 1 HE2 MET 1 -7.990 28.333 13.026 9 HE3 MET 1 HE3 MET 1 -8.141 29.687 11.905 10 H ALA 2 H ALA 2 -5.957 28.353 20.063 11 HA ALA 2 HA ALA 2 -5.234 25.994 18.464 12 HB1 ALA 2 HB1 ALA 2 -4.056 26.907 21.091 13 HB2 ALA 2 HB2 ALA 2 -3.313 27.116 19.506 14 HB3 ALA 2 HB3 ALA 2 -3.551 25.497 20.162 15 H ASP 3 H ASP 3 -6.826 24.538 18.657 16 HA ASP 3 HA ASP 3 -8.310 24.291 21.138 17 HB2 ASP 3 HB2 ASP 3 -8.537 22.736 18.555 18 HB3 ASP 3 HB3 ASP 3 -9.609 22.541 19.937 19 H GLU 4 H GLU 4 -5.874 22.748 19.375 20 HA GLU 4 HA GLU 4 -4.324 21.189 19.856 21 HB2 GLU 4 HB2 GLU 4 -5.251 21.542 22.703 22 HB3 GLU 4 HB3 GLU 4 -3.762 20.760 22.190 23 HG2 GLU 4 HG2 GLU 4 -3.033 22.891 21.187 24 HG3 GLU 4 HG3 GLU 4 -4.491 23.652 21.823 25 H LYS 5 H LYS 5 -6.424 20.061 18.739 26 HA LYS 5 HA LYS 5 -7.516 17.972 20.331 27 HB2 LYS 5 HB2 LYS 5 -7.527 18.444 17.347 28 HB3 LYS 5 HB3 LYS 5 -8.278 17.045 18.098 29 HG2 LYS 5 HG2 LYS 5 -9.766 18.481 19.345 30 HG3 LYS 5 HG3 LYS 5 -8.968 19.911 18.682 31 HD2 LYS 5 HD2 LYS 5 -9.729 19.415 16.483 32 HD3 LYS 5 HD3 LYS 5 -10.292 17.816 16.971 33 HE2 LYS 5 HE2 LYS 5 -11.393 20.431 17.984 34 HE3 LYS 5 HE3 LYS 5 -12.129 19.446 16.722 35 HZ1 LYS 5 HZ1 LYS 5 -12.342 17.639 18.337 36 HZ2 LYS 5 HZ2 LYS 5 -13.165 19.024 18.851 37 HZ3 LYS 5 HZ3 LYS 5 -11.679 18.624 19.539 38 HA PRO 6 HA PRO 6 -4.204 15.207 18.283 39 HB2 PRO 6 HB2 PRO 6 -2.241 16.811 16.934 40 HB3 PRO 6 HB3 PRO 6 -3.291 15.585 16.241 41 HG2 PRO 6 HG2 PRO 6 -3.475 18.262 15.683 42 HG3 PRO 6 HG3 PRO 6 -4.836 17.132 15.547 43 HD2 PRO 6 HD2 PRO 6 -4.170 19.059 17.734 44 HD3 PRO 6 HD3 PRO 6 -5.749 18.637 17.044 45 H LYS 7 H LYS 7 -2.507 14.535 19.504 46 HA LYS 7 HA LYS 7 -1.352 16.484 21.291 47 HB2 LYS 7 HB2 LYS 7 -1.067 13.487 21.149 48 HB3 LYS 7 HB3 LYS 7 -0.238 14.499 22.327 49 HG2 LYS 7 HG2 LYS 7 -2.430 15.306 23.123 50 HG3 LYS 7 HG3 LYS 7 -3.211 14.183 22.010 51 HD2 LYS 7 HD2 LYS 7 -3.110 13.253 24.265 52 HD3 LYS 7 HD3 LYS 7 -2.130 12.305 23.146 53 HE2 LYS 7 HE2 LYS 7 -0.114 13.410 23.949 54 HE3 LYS 7 HE3 LYS 7 -1.078 14.424 25.020 55 HZ1 LYS 7 HZ1 LYS 7 -0.798 11.477 25.168 56 HZ2 LYS 7 HZ2 LYS 7 -1.788 12.412 26.174 57 HZ3 LYS 7 HZ3 LYS 7 -0.111 12.604 26.229 58 H GLU 8 H GLU 8 -0.537 17.376 19.146 59 HA GLU 8 HA GLU 8 1.748 16.317 17.912 60 HB2 GLU 8 HB2 GLU 8 0.257 18.235 17.137 61 HB3 GLU 8 HB3 GLU 8 1.151 19.252 18.253 62 HG2 GLU 8 HG2 GLU 8 2.560 17.680 16.129 63 HG3 GLU 8 HG3 GLU 8 1.812 19.231 15.769 64 H GLY 9 H GLY 9 3.288 15.621 19.232 65 HA2 GLY 9 HA2 GLY 9 5.404 17.001 20.048 66 HA3 GLY 9 HA3 GLY 9 4.313 17.270 21.401 67 H VAL 10 H VAL 10 4.346 14.311 19.595 68 HA VAL 10 HA VAL 10 5.818 12.963 21.704 69 HB VAL 10 HB VAL 10 4.235 11.059 21.428 70 HG11 VAL 10 HG11 VAL 10 4.060 12.515 23.372 71 HG12 VAL 10 HG12 VAL 10 2.456 11.997 22.855 72 HG13 VAL 10 HG13 VAL 10 3.027 13.620 22.467 73 HG21 VAL 10 HG21 VAL 10 2.549 13.088 19.984 74 HG22 VAL 10 HG22 VAL 10 2.000 11.494 20.507 75 HG23 VAL 10 HG23 VAL 10 3.268 11.636 19.289 76 H LYS 11 H LYS 11 6.043 10.518 20.778 77 HA LYS 11 HA LYS 11 7.808 10.636 18.619 78 HB2 LYS 11 HB2 LYS 11 7.910 8.790 20.141 79 HB3 LYS 11 HB3 LYS 11 6.264 8.310 19.755 80 HG2 LYS 11 HG2 LYS 11 6.976 7.807 17.460 81 HG3 LYS 11 HG3 LYS 11 8.632 8.218 17.910 82 HD2 LYS 11 HD2 LYS 11 8.724 6.415 19.469 83 HD3 LYS 11 HD3 LYS 11 7.001 6.084 19.262 84 HE2 LYS 11 HE2 LYS 11 8.976 5.961 17.018 85 HE3 LYS 11 HE3 LYS 11 8.578 4.558 18.015 86 HZ1 LYS 11 HZ1 LYS 11 6.292 4.745 17.311 87 HZ2 LYS 11 HZ2 LYS 11 7.284 4.645 15.954 88 HZ3 LYS 11 HZ3 LYS 11 6.626 6.134 16.409 89 H THR 12 H THR 12 4.666 8.990 18.549 90 HA THR 12 HA THR 12 4.379 9.876 15.764 91 HB THR 12 HB THR 12 3.344 7.272 16.852 92 HG1 THR 12 HG1 THR 12 5.731 7.782 15.357 93 HG21 THR 12 HG21 THR 12 3.753 8.278 14.028 94 HG22 THR 12 HG22 THR 12 2.202 8.117 14.852 95 HG23 THR 12 HG23 THR 12 3.148 6.680 14.465 96 H GLU 13 H GLU 13 3.157 11.601 16.454 97 HA GLU 13 HA GLU 13 0.922 11.504 18.131 98 HB2 GLU 13 HB2 GLU 13 0.311 13.682 17.144 99 HB3 GLU 13 HB3 GLU 13 2.004 13.603 17.611 100 HG2 GLU 13 HG2 GLU 13 2.652 13.255 15.300 101 HG3 GLU 13 HG3 GLU 13 0.959 13.249 14.810 102 H ASN 14 H ASN 14 -1.328 11.592 17.677 103 HA ASN 14 HA ASN 14 -2.093 10.088 15.294 104 HB2 ASN 14 HB2 ASN 14 -3.709 10.837 17.745 105 HB3 ASN 14 HB3 ASN 14 -4.258 9.799 16.439 106 HD21 ASN 14 HD21 ASN 14 -1.700 8.427 16.164 107 HD22 ASN 14 HD22 ASN 14 -1.563 7.378 17.527 108 H ASN 15 H ASN 15 -2.961 11.138 13.633 109 HA ASN 15 HA ASN 15 -4.003 13.858 14.098 110 HB2 ASN 15 HB2 ASN 15 -2.253 12.939 11.809 111 HB3 ASN 15 HB3 ASN 15 -3.040 14.503 11.885 112 HD21 ASN 15 HD21 ASN 15 -2.528 14.717 14.796 113 HD22 ASN 15 HD22 ASN 15 -0.841 15.107 14.930 114 H ASP 16 H ASP 16 -4.744 14.499 11.790 115 HA ASP 16 HA ASP 16 -7.179 13.043 11.235 116 HB2 ASP 16 HB2 ASP 16 -5.905 15.374 9.786 117 HB3 ASP 16 HB3 ASP 16 -7.391 14.611 9.232 118 H HIS 17 H HIS 17 -7.316 11.211 9.948 119 HA HIS 17 HA HIS 17 -5.622 10.923 7.718 120 HB2 HIS 17 HB2 HIS 17 -4.421 8.984 8.489 121 HB3 HIS 17 HB3 HIS 17 -4.105 10.289 9.623 122 HD1 HIS 17 HD1 HIS 17 -5.504 10.076 11.970 123 HD2 HIS 17 HD2 HIS 17 -5.350 6.712 9.555 124 HE1 HIS 17 HE1 HIS 17 -6.133 8.148 13.451 125 HE2 HIS 17 HE2 HIS 17 -6.452 6.266 11.843 126 H ILE 18 H ILE 18 -6.096 8.698 6.754 127 HA ILE 18 HA ILE 18 -8.844 7.935 7.455 128 HB ILE 18 HB ILE 18 -9.233 7.364 5.085 129 HG12 ILE 18 HG12 ILE 18 -6.713 8.967 4.536 130 HG13 ILE 18 HG13 ILE 18 -6.807 7.207 4.440 131 HG21 ILE 18 HG21 ILE 18 -9.580 9.691 4.336 132 HG22 ILE 18 HG22 ILE 18 -8.564 10.244 5.670 133 HG23 ILE 18 HG23 ILE 18 -10.093 9.428 6.005 134 HD11 ILE 18 HD11 ILE 18 -6.948 8.218 2.250 135 HD12 ILE 18 HD12 ILE 18 -8.341 9.175 2.758 136 HD13 ILE 18 HD13 ILE 18 -8.466 7.416 2.652 137 H ASN 19 H ASN 19 -9.438 5.773 6.505 138 HA ASN 19 HA ASN 19 -7.319 3.881 7.222 139 HB2 ASN 19 HB2 ASN 19 -10.295 3.403 6.941 140 HB3 ASN 19 HB3 ASN 19 -9.112 2.277 7.596 141 HD21 ASN 19 HD21 ASN 19 -10.905 5.200 8.149 142 HD22 ASN 19 HD22 ASN 19 -10.603 5.307 9.837 143 H LEU 20 H LEU 20 -6.681 2.302 5.819 144 HA LEU 20 HA LEU 20 -8.043 2.161 3.223 145 HB2 LEU 20 HB2 LEU 20 -5.220 2.854 3.742 146 HB3 LEU 20 HB3 LEU 20 -5.475 1.660 2.490 147 HG LEU 20 HG LEU 20 -5.317 3.764 1.414 148 HD11 LEU 20 HD11 LEU 20 -7.419 3.961 0.282 149 HD12 LEU 20 HD12 LEU 20 -8.252 3.129 1.588 150 HD13 LEU 20 HD13 LEU 20 -7.084 2.259 0.594 151 HD21 LEU 20 HD21 LEU 20 -7.413 4.773 3.327 152 HD22 LEU 20 HD22 LEU 20 -6.741 5.672 1.967 153 HD23 LEU 20 HD23 LEU 20 -5.706 5.214 3.319 154 H LYS 21 H LYS 21 -7.507 0.194 2.024 155 HA LYS 21 HA LYS 21 -6.646 -2.026 3.734 156 HB2 LYS 21 HB2 LYS 21 -9.098 -1.931 1.996 157 HB3 LYS 21 HB3 LYS 21 -8.468 -3.392 2.737 158 HG2 LYS 21 HG2 LYS 21 -8.926 -2.599 4.898 159 HG3 LYS 21 HG3 LYS 21 -9.287 -0.978 4.300 160 HD2 LYS 21 HD2 LYS 21 -11.360 -2.135 4.816 161 HD3 LYS 21 HD3 LYS 21 -11.225 -1.903 3.073 162 HE2 LYS 21 HE2 LYS 21 -10.450 -4.202 2.822 163 HE3 LYS 21 HE3 LYS 21 -10.562 -4.439 4.564 164 HZ1 LYS 21 HZ1 LYS 21 -12.488 -5.340 3.485 165 HZ2 LYS 21 HZ2 LYS 21 -12.803 -3.879 2.708 166 HZ3 LYS 21 HZ3 LYS 21 -12.960 -3.992 4.386 167 H VAL 22 H VAL 22 -5.710 -3.719 2.628 168 HA VAL 22 HA VAL 22 -5.321 -3.321 -0.262 169 HB VAL 22 HB VAL 22 -3.180 -4.194 1.696 170 HG11 VAL 22 HG11 VAL 22 -3.107 -4.077 -1.308 171 HG12 VAL 22 HG12 VAL 22 -3.099 -5.542 -0.323 172 HG13 VAL 22 HG13 VAL 22 -1.737 -4.424 -0.255 173 HG21 VAL 22 HG21 VAL 22 -3.218 -1.885 -0.243 174 HG22 VAL 22 HG22 VAL 22 -1.987 -2.238 0.972 175 HG23 VAL 22 HG23 VAL 22 -3.603 -1.740 1.468 176 H ALA 23 H ALA 23 -6.193 -4.890 -1.309 177 HA ALA 23 HA ALA 23 -6.622 -7.474 -0.039 178 HB1 ALA 23 HB1 ALA 23 -7.563 -6.452 -2.719 179 HB2 ALA 23 HB2 ALA 23 -8.494 -6.425 -1.222 180 HB3 ALA 23 HB3 ALA 23 -8.042 -7.967 -1.949 181 H GLY 24 H GLY 24 -5.244 -9.023 -0.289 182 HA2 GLY 24 HA2 GLY 24 -3.164 -8.798 -2.294 183 HA3 GLY 24 HA3 GLY 24 -3.236 -9.983 -0.996 184 H GLN 25 H GLN 25 -2.662 -10.556 -3.703 185 HA GLN 25 HA GLN 25 -4.906 -11.540 -5.098 186 HB2 GLN 25 HB2 GLN 25 -3.276 -12.847 -6.438 187 HB3 GLN 25 HB3 GLN 25 -2.849 -11.151 -6.290 188 HG2 GLN 25 HG2 GLN 25 -0.839 -12.246 -6.026 189 HG3 GLN 25 HG3 GLN 25 -1.330 -11.914 -4.366 190 HE21 GLN 25 HE21 GLN 25 -0.205 -13.567 -3.449 191 HE22 GLN 25 HE22 GLN 25 -0.578 -15.237 -3.696 192 H ASP 26 H ASP 26 -3.366 -12.677 -2.332 193 HA ASP 26 HA ASP 26 -3.893 -15.469 -2.596 194 HB2 ASP 26 HB2 ASP 26 -2.141 -14.624 -1.093 195 HB3 ASP 26 HB3 ASP 26 -3.356 -13.796 -0.129 196 H GLY 27 H GLY 27 -5.837 -12.751 -1.875 197 HA2 GLY 27 HA2 GLY 27 -8.224 -12.969 -1.847 198 HA3 GLY 27 HA3 GLY 27 -8.038 -14.560 -1.127 199 H SER 28 H SER 28 -5.983 -12.300 0.251 200 HA SER 28 HA SER 28 -7.814 -11.987 2.525 201 HB2 SER 28 HB2 SER 28 -5.783 -13.365 2.990 202 HB3 SER 28 HB3 SER 28 -4.788 -11.969 2.579 203 HG SER 28 HG SER 28 -6.001 -12.562 4.897 204 H VAL 29 H VAL 29 -7.450 -10.000 3.771 205 HA VAL 29 HA VAL 29 -6.366 -7.849 2.147 206 HB VAL 29 HB VAL 29 -8.809 -8.004 1.688 207 HG11 VAL 29 HG11 VAL 29 -9.052 -7.285 4.600 208 HG12 VAL 29 HG12 VAL 29 -9.624 -8.763 3.824 209 HG13 VAL 29 HG13 VAL 29 -10.377 -7.213 3.436 210 HG21 VAL 29 HG21 VAL 29 -7.938 -5.491 3.108 211 HG22 VAL 29 HG22 VAL 29 -9.275 -5.623 1.964 212 HG23 VAL 29 HG23 VAL 29 -7.620 -5.892 1.421 213 H VAL 30 H VAL 30 -5.382 -6.314 3.276 214 HA VAL 30 HA VAL 30 -5.369 -6.583 6.190 215 HB VAL 30 HB VAL 30 -3.418 -5.209 4.321 216 HG11 VAL 30 HG11 VAL 30 -3.236 -5.542 7.320 217 HG12 VAL 30 HG12 VAL 30 -3.619 -4.037 6.490 218 HG13 VAL 30 HG13 VAL 30 -2.034 -4.783 6.274 219 HG21 VAL 30 HG21 VAL 30 -3.305 -7.635 4.260 220 HG22 VAL 30 HG22 VAL 30 -3.153 -7.682 6.017 221 HG23 VAL 30 HG23 VAL 30 -1.873 -6.962 5.040 222 H GLN 31 H GLN 31 -6.068 -4.941 7.499 223 HA GLN 31 HA GLN 31 -7.068 -2.530 6.165 224 HB2 GLN 31 HB2 GLN 31 -7.860 -3.513 8.879 225 HB3 GLN 31 HB3 GLN 31 -8.711 -2.382 7.837 226 HG2 GLN 31 HG2 GLN 31 -9.077 -4.254 6.232 227 HG3 GLN 31 HG3 GLN 31 -8.418 -5.342 7.447 228 HE21 GLN 31 HE21 GLN 31 -11.045 -3.267 6.609 229 HE22 GLN 31 HE22 GLN 31 -12.138 -3.858 7.792 230 H PHE 32 H PHE 32 -6.137 -0.687 6.701 231 HA PHE 32 HA PHE 32 -4.612 -0.440 9.164 232 HB2 PHE 32 HB2 PHE 32 -2.608 0.362 7.916 233 HB3 PHE 32 HB3 PHE 32 -2.917 -1.369 7.765 234 HD1 PHE 32 HD1 PHE 32 -4.185 -2.137 5.674 235 HD2 PHE 32 HD2 PHE 32 -2.336 1.676 6.014 236 HE1 PHE 32 HE1 PHE 32 -4.219 -1.916 3.246 237 HE2 PHE 32 HE2 PHE 32 -2.363 1.904 3.586 238 HZ PHE 32 HZ PHE 32 -3.299 0.112 2.189 239 H LYS 33 H LYS 33 -3.615 1.738 9.321 240 HA LYS 33 HA LYS 33 -5.470 3.716 8.192 241 HB2 LYS 33 HB2 LYS 33 -4.007 3.949 10.815 242 HB3 LYS 33 HB3 LYS 33 -5.353 4.928 10.239 243 HG2 LYS 33 HG2 LYS 33 -6.785 2.911 10.303 244 HG3 LYS 33 HG3 LYS 33 -5.437 2.030 10.994 245 HD2 LYS 33 HD2 LYS 33 -6.741 4.446 12.239 246 HD3 LYS 33 HD3 LYS 33 -7.012 2.774 12.725 247 HE2 LYS 33 HE2 LYS 33 -4.507 2.640 13.121 248 HE3 LYS 33 HE3 LYS 33 -4.492 4.396 12.935 249 HZ1 LYS 33 HZ1 LYS 33 -6.034 4.568 14.780 250 HZ2 LYS 33 HZ2 LYS 33 -4.644 3.747 15.260 251 HZ3 LYS 33 HZ3 LYS 33 -6.064 2.890 14.952 252 H ILE 34 H ILE 34 -4.623 5.466 7.176 253 HA ILE 34 HA ILE 34 -1.754 5.984 7.430 254 HB ILE 34 HB ILE 34 -1.992 4.513 5.463 255 HG12 ILE 34 HG12 ILE 34 -1.414 7.360 4.613 256 HG13 ILE 34 HG13 ILE 34 -0.284 6.336 5.490 257 HG21 ILE 34 HG21 ILE 34 -3.829 6.648 4.393 258 HG22 ILE 34 HG22 ILE 34 -4.283 5.012 4.868 259 HG23 ILE 34 HG23 ILE 34 -3.224 5.265 3.479 260 HD11 ILE 34 HD11 ILE 34 0.218 6.409 3.112 261 HD12 ILE 34 HD12 ILE 34 -1.390 5.781 2.747 262 HD13 ILE 34 HD13 ILE 34 -0.229 4.783 3.623 263 H LYS 35 H LYS 35 -1.157 8.148 6.871 264 HA LYS 35 HA LYS 35 -3.360 9.990 7.274 265 HB2 LYS 35 HB2 LYS 35 -0.437 10.670 7.098 266 HB3 LYS 35 HB3 LYS 35 -1.726 11.643 7.798 267 HG2 LYS 35 HG2 LYS 35 -2.045 9.599 9.364 268 HG3 LYS 35 HG3 LYS 35 -0.407 9.208 8.854 269 HD2 LYS 35 HD2 LYS 35 -1.014 11.955 9.881 270 HD3 LYS 35 HD3 LYS 35 -0.750 10.632 11.012 271 HE2 LYS 35 HE2 LYS 35 1.359 11.672 10.751 272 HE3 LYS 35 HE3 LYS 35 1.434 10.205 9.783 273 HZ1 LYS 35 HZ1 LYS 35 2.374 12.178 8.692 274 HZ2 LYS 35 HZ2 LYS 35 0.847 12.894 8.680 275 HZ3 LYS 35 HZ3 LYS 35 1.127 11.465 7.805 276 H ARG 36 H ARG 36 -3.576 11.905 6.046 277 HA ARG 36 HA ARG 36 -3.801 11.356 3.288 278 HB2 ARG 36 HB2 ARG 36 -3.867 14.108 4.511 279 HB3 ARG 36 HB3 ARG 36 -4.694 13.555 3.068 280 HG2 ARG 36 HG2 ARG 36 -5.336 12.875 5.926 281 HG3 ARG 36 HG3 ARG 36 -6.314 13.799 4.787 282 HD2 ARG 36 HD2 ARG 36 -5.645 10.863 4.634 283 HD3 ARG 36 HD3 ARG 36 -7.207 11.559 5.049 284 HE ARG 36 HE ARG 36 -5.989 11.444 2.400 285 HH11 ARG 36 HH11 ARG 36 -8.711 12.408 4.403 286 HH12 ARG 36 HH12 ARG 36 -9.788 12.634 3.070 287 HH21 ARG 36 HH21 ARG 36 -7.436 11.763 0.606 288 HH22 ARG 36 HH22 ARG 36 -9.058 12.268 0.912 289 H HIS 37 H HIS 37 -1.394 13.060 5.198 290 HA HIS 37 HA HIS 37 0.040 13.886 2.787 291 HB2 HIS 37 HB2 HIS 37 0.359 14.549 5.709 292 HB3 HIS 37 HB3 HIS 37 1.539 15.033 4.499 293 HD1 HIS 37 HD1 HIS 37 -1.418 16.229 6.160 294 HD2 HIS 37 HD2 HIS 37 0.247 16.702 2.382 295 HE1 HIS 37 HE1 HIS 37 -2.489 18.287 5.204 296 HE2 HIS 37 HE2 HIS 37 -1.305 18.660 3.013 297 H THR 38 H THR 38 -0.187 11.161 4.381 298 HA THR 38 HA THR 38 2.643 10.632 4.712 299 HB THR 38 HB THR 38 0.165 9.095 5.508 300 HG1 THR 38 HG1 THR 38 2.300 9.656 7.208 301 HG21 THR 38 HG21 THR 38 1.789 7.464 4.651 302 HG22 THR 38 HG22 THR 38 1.660 7.357 6.410 303 HG23 THR 38 HG23 THR 38 3.043 8.167 5.670 304 HA PRO 39 HA PRO 39 2.903 8.829 0.657 305 HB2 PRO 39 HB2 PRO 39 5.264 7.534 1.021 306 HB3 PRO 39 HB3 PRO 39 5.158 9.278 0.741 307 HG2 PRO 39 HG2 PRO 39 5.464 7.775 3.312 308 HG3 PRO 39 HG3 PRO 39 6.306 9.236 2.771 309 HD2 PRO 39 HD2 PRO 39 4.252 9.337 4.494 310 HD3 PRO 39 HD3 PRO 39 4.509 10.605 3.281 311 H LEU 40 H LEU 40 2.592 6.838 -0.332 312 HA LEU 40 HA LEU 40 1.383 4.827 1.184 313 HB2 LEU 40 HB2 LEU 40 2.402 4.786 -1.639 314 HB3 LEU 40 HB3 LEU 40 1.437 3.512 -0.931 315 HG LEU 40 HG LEU 40 0.638 6.312 -1.579 316 HD11 LEU 40 HD11 LEU 40 -1.106 5.218 -2.883 317 HD12 LEU 40 HD12 LEU 40 -0.454 3.648 -2.410 318 HD13 LEU 40 HD13 LEU 40 0.513 4.745 -3.397 319 HD21 LEU 40 HD21 LEU 40 -0.311 5.995 0.559 320 HD22 LEU 40 HD22 LEU 40 -0.788 4.350 0.176 321 HD23 LEU 40 HD23 LEU 40 -1.602 5.704 -0.608 322 H SER 41 H SER 41 4.668 5.445 0.749 323 HA SER 41 HA SER 41 5.884 2.988 0.529 324 HB2 SER 41 HB2 SER 41 7.680 3.984 2.035 325 HB3 SER 41 HB3 SER 41 7.248 4.941 0.617 326 HG SER 41 HG SER 41 7.100 6.420 2.141 327 HH31 ALY 42 HH31 ALY 42 -0.237 -0.039 8.495 328 HH32 ALY 42 HH32 ALY 42 -1.283 1.001 9.484 329 HH33 ALY 42 HH33 ALY 42 -0.045 -0.024 10.242 330 HZ ALY 42 HZ ALY 42 -0.344 2.525 7.777 331 HE3 ALY 42 HE3 ALY 42 1.448 4.375 8.256 332 HE2 ALY 42 HE2 ALY 42 2.516 3.006 7.957 333 HD3 ALY 42 HD3 ALY 42 1.405 2.719 5.735 334 HD2 ALY 42 HD2 ALY 42 0.499 4.198 6.052 335 HG3 ALY 42 HG3 ALY 42 2.441 4.647 4.632 336 HG2 ALY 42 HG2 ALY 42 2.609 5.453 6.185 337 HB3 ALY 42 HB3 ALY 42 4.703 4.566 5.922 338 HB2 ALY 42 HB2 ALY 42 3.927 3.289 6.827 339 HCA ALY 42 HCA ALY 42 5.183 2.228 5.114 340 H ALY 42 H ALY 42 4.499 4.437 3.463 341 H LEU 43 H LEU 43 2.435 3.061 3.133 342 HA LEU 43 HA LEU 43 0.612 1.107 4.004 343 HB2 LEU 43 HB2 LEU 43 -0.200 2.901 2.648 344 HB3 LEU 43 HB3 LEU 43 0.951 2.559 1.377 345 HG LEU 43 HG LEU 43 -1.159 0.518 2.013 346 HD11 LEU 43 HD11 LEU 43 -2.151 2.889 1.709 347 HD12 LEU 43 HD12 LEU 43 -2.781 1.559 0.738 348 HD13 LEU 43 HD13 LEU 43 -1.644 2.694 0.024 349 HD21 LEU 43 HD21 LEU 43 -0.946 0.095 -0.399 350 HD22 LEU 43 HD22 LEU 43 0.610 -0.037 0.425 351 HD23 LEU 43 HD23 LEU 43 0.223 1.417 -0.514 352 H MET 44 H MET 44 2.876 1.047 1.243 353 HA MET 44 HA MET 44 2.361 -1.596 0.477 354 HB2 MET 44 HB2 MET 44 4.751 0.186 0.087 355 HB3 MET 44 HB3 MET 44 4.774 -1.481 -0.459 356 HG2 MET 44 HG2 MET 44 4.161 -0.322 -2.357 357 HG3 MET 44 HG3 MET 44 2.615 -0.869 -1.715 358 HE1 MET 44 HE1 MET 44 1.817 2.595 -3.344 359 HE2 MET 44 HE2 MET 44 1.492 0.861 -3.375 360 HE3 MET 44 HE3 MET 44 3.063 1.476 -3.895 361 H LYS 45 H LYS 45 4.633 -0.266 2.813 362 HA LYS 45 HA LYS 45 5.896 -2.743 3.308 363 HB2 LYS 45 HB2 LYS 45 7.026 -0.639 3.814 364 HB3 LYS 45 HB3 LYS 45 5.803 -0.244 5.011 365 HG2 LYS 45 HG2 LYS 45 7.874 -1.043 6.037 366 HG3 LYS 45 HG3 LYS 45 6.515 -2.109 6.398 367 HD2 LYS 45 HD2 LYS 45 8.315 -3.539 5.878 368 HD3 LYS 45 HD3 LYS 45 7.311 -3.521 4.433 369 HE2 LYS 45 HE2 LYS 45 9.615 -3.342 3.770 370 HE3 LYS 45 HE3 LYS 45 8.824 -1.799 3.469 371 HZ1 LYS 45 HZ1 LYS 45 9.786 -0.951 5.526 372 HZ2 LYS 45 HZ2 LYS 45 10.991 -1.495 4.480 373 HZ3 LYS 45 HZ3 LYS 45 10.547 -2.434 5.806 374 H ALA 46 H ALA 46 3.204 -1.039 4.834 375 HA ALA 46 HA ALA 46 2.870 -2.643 7.107 376 HB1 ALA 46 HB1 ALA 46 0.558 -1.865 7.145 377 HB2 ALA 46 HB2 ALA 46 0.706 -1.311 5.477 378 HB3 ALA 46 HB3 ALA 46 1.652 -0.539 6.749 379 H TYR 47 H TYR 47 1.412 -2.967 3.882 380 HA TYR 47 HA TYR 47 0.074 -5.380 4.442 381 HB2 TYR 47 HB2 TYR 47 -0.662 -4.137 2.561 382 HB3 TYR 47 HB3 TYR 47 0.949 -4.088 1.856 383 HD1 TYR 47 HD1 TYR 47 -1.970 -6.226 2.531 384 HD2 TYR 47 HD2 TYR 47 1.766 -5.896 0.543 385 HE1 TYR 47 HE1 TYR 47 -2.492 -8.245 1.245 386 HE2 TYR 47 HE2 TYR 47 1.264 -7.910 -0.764 387 HH TYR 47 HH TYR 47 -0.141 -9.901 -0.601 388 H CYS 48 H CYS 48 3.265 -4.650 3.189 389 HA CYS 48 HA CYS 48 4.063 -7.247 2.426 390 HB2 CYS 48 HB2 CYS 48 5.527 -5.709 1.586 391 HB3 CYS 48 HB3 CYS 48 5.424 -4.669 3.006 392 HG CYS 48 HG CYS 48 7.236 -7.568 2.838 393 H GLU 49 H GLU 49 4.213 -5.566 5.480 394 HA GLU 49 HA GLU 49 5.763 -7.469 6.892 395 HB2 GLU 49 HB2 GLU 49 3.743 -5.454 7.861 396 HB3 GLU 49 HB3 GLU 49 4.847 -6.347 8.899 397 HG2 GLU 49 HG2 GLU 49 5.802 -4.628 6.651 398 HG3 GLU 49 HG3 GLU 49 5.493 -3.976 8.251 399 H ARG 50 H ARG 50 2.289 -6.942 6.605 400 HA ARG 50 HA ARG 50 1.405 -8.910 8.388 401 HB2 ARG 50 HB2 ARG 50 0.085 -7.821 5.912 402 HB3 ARG 50 HB3 ARG 50 -0.728 -8.789 7.131 403 HG2 ARG 50 HG2 ARG 50 0.606 -6.158 7.677 404 HG3 ARG 50 HG3 ARG 50 -1.114 -6.354 7.327 405 HD2 ARG 50 HD2 ARG 50 0.368 -7.640 9.611 406 HD3 ARG 50 HD3 ARG 50 -0.659 -6.214 9.723 407 HE ARG 50 HE ARG 50 -1.902 -8.606 8.632 408 HH11 ARG 50 HH11 ARG 50 -1.368 -6.616 11.463 409 HH12 ARG 50 HH12 ARG 50 -2.745 -7.230 12.308 410 HH21 ARG 50 HH21 ARG 50 -3.726 -9.423 9.755 411 HH22 ARG 50 HH22 ARG 50 -4.078 -8.834 11.347 412 H GLN 51 H GLN 51 1.907 -9.085 4.901 413 HA GLN 51 HA GLN 51 1.211 -11.897 4.887 414 HB2 GLN 51 HB2 GLN 51 1.669 -9.828 2.838 415 HB3 GLN 51 HB3 GLN 51 2.154 -11.455 2.380 416 HG2 GLN 51 HG2 GLN 51 -0.114 -10.998 1.658 417 HG3 GLN 51 HG3 GLN 51 -0.089 -12.277 2.865 418 HE21 GLN 51 HE21 GLN 51 0.178 -8.820 3.524 419 HE22 GLN 51 HE22 GLN 51 -1.324 -8.693 4.363 420 H GLY 52 H GLY 52 4.091 -10.035 5.139 421 HA2 GLY 52 HA2 GLY 52 6.191 -10.819 5.731 422 HA3 GLY 52 HA3 GLY 52 5.627 -12.462 5.469 423 H LEU 53 H LEU 53 4.822 -10.661 2.819 424 HA LEU 53 HA LEU 53 6.958 -11.829 1.269 425 HB2 LEU 53 HB2 LEU 53 5.628 -10.920 -0.676 426 HB3 LEU 53 HB3 LEU 53 4.840 -12.135 0.303 427 HG LEU 53 HG LEU 53 3.640 -10.209 1.478 428 HD11 LEU 53 HD11 LEU 53 5.090 -8.406 0.767 429 HD12 LEU 53 HD12 LEU 53 3.427 -8.133 0.245 430 HD13 LEU 53 HD13 LEU 53 4.637 -8.692 -0.913 431 HD21 LEU 53 HD21 LEU 53 3.117 -10.693 -1.451 432 HD22 LEU 53 HD22 LEU 53 1.965 -10.024 -0.296 433 HD23 LEU 53 HD23 LEU 53 2.535 -11.682 -0.111 434 H SER 54 H SER 54 7.620 -10.333 -0.695 435 HA SER 54 HA SER 54 8.906 -7.995 0.497 436 HB2 SER 54 HB2 SER 54 9.372 -9.402 -2.140 437 HB3 SER 54 HB3 SER 54 10.370 -8.102 -1.500 438 HG SER 54 HG SER 54 10.586 -9.629 0.392 439 H MET 55 H MET 55 8.304 -5.945 -0.063 440 HA MET 55 HA MET 55 5.912 -5.516 -1.526 441 HB2 MET 55 HB2 MET 55 6.376 -3.112 -1.298 442 HB3 MET 55 HB3 MET 55 6.572 -3.958 0.231 443 HG2 MET 55 HG2 MET 55 8.793 -3.546 0.329 444 HG3 MET 55 HG3 MET 55 9.000 -3.613 -1.424 445 HE1 MET 55 HE1 MET 55 7.442 0.044 0.927 446 HE2 MET 55 HE2 MET 55 8.034 -1.441 1.673 447 HE3 MET 55 HE3 MET 55 6.516 -1.451 0.780 448 H ARG 56 H ARG 56 9.214 -5.645 -2.480 449 HA ARG 56 HA ARG 56 8.862 -4.216 -4.951 450 HB2 ARG 56 HB2 ARG 56 11.150 -4.882 -5.426 451 HB3 ARG 56 HB3 ARG 56 11.008 -4.283 -3.782 452 HG2 ARG 56 HG2 ARG 56 10.901 -6.626 -2.989 453 HG3 ARG 56 HG3 ARG 56 11.239 -7.146 -4.640 454 HD2 ARG 56 HD2 ARG 56 13.292 -7.123 -3.420 455 HD3 ARG 56 HD3 ARG 56 13.314 -5.795 -4.580 456 HE ARG 56 HE ARG 56 12.549 -4.424 -2.535 457 HH11 ARG 56 HH11 ARG 56 14.777 -7.134 -2.449 458 HH12 ARG 56 HH12 ARG 56 15.639 -6.556 -1.069 459 HH21 ARG 56 HH21 ARG 56 13.686 -3.647 -0.684 460 HH22 ARG 56 HH22 ARG 56 14.999 -4.569 -0.050 461 H GLN 57 H GLN 57 8.112 -7.310 -3.893 462 HA GLN 57 HA GLN 57 8.350 -8.541 -6.539 463 HB2 GLN 57 HB2 GLN 57 7.603 -9.722 -3.867 464 HB3 GLN 57 HB3 GLN 57 7.833 -10.631 -5.353 465 HG2 GLN 57 HG2 GLN 57 9.958 -8.969 -4.035 466 HG3 GLN 57 HG3 GLN 57 9.750 -10.704 -3.791 467 HE21 GLN 57 HE21 GLN 57 10.674 -8.201 -6.019 468 HE22 GLN 57 HE22 GLN 57 11.465 -9.227 -7.150 469 H ILE 58 H ILE 58 6.222 -6.590 -5.254 470 HA ILE 58 HA ILE 58 3.963 -7.969 -6.477 471 HB ILE 58 HB ILE 58 2.485 -7.084 -4.642 472 HG12 ILE 58 HG12 ILE 58 5.085 -6.813 -3.145 473 HG13 ILE 58 HG13 ILE 58 4.191 -5.456 -3.820 474 HG21 ILE 58 HG21 ILE 58 4.570 -9.060 -3.747 475 HG22 ILE 58 HG22 ILE 58 3.215 -9.436 -4.803 476 HG23 ILE 58 HG23 ILE 58 2.917 -8.916 -3.142 477 HD11 ILE 58 HD11 ILE 58 3.772 -5.734 -1.431 478 HD12 ILE 58 HD12 ILE 58 3.165 -7.361 -1.734 479 HD13 ILE 58 HD13 ILE 58 2.303 -5.966 -2.379 480 H ARG 59 H ARG 59 2.079 -6.353 -6.507 481 HA ARG 59 HA ARG 59 3.005 -3.646 -7.046 482 HB2 ARG 59 HB2 ARG 59 1.626 -5.390 -9.068 483 HB3 ARG 59 HB3 ARG 59 1.653 -3.638 -9.184 484 HG2 ARG 59 HG2 ARG 59 4.016 -5.484 -9.220 485 HG3 ARG 59 HG3 ARG 59 3.373 -4.562 -10.583 486 HD2 ARG 59 HD2 ARG 59 3.810 -2.504 -9.064 487 HD3 ARG 59 HD3 ARG 59 4.830 -3.604 -8.151 488 HE ARG 59 HE ARG 59 5.400 -3.614 -10.960 489 HH11 ARG 59 HH11 ARG 59 6.127 -2.089 -7.888 490 HH12 ARG 59 HH12 ARG 59 7.628 -1.422 -8.433 491 HH21 ARG 59 HH21 ARG 59 7.387 -2.734 -11.679 492 HH22 ARG 59 HH22 ARG 59 8.345 -1.797 -10.586 493 H PHE 60 H PHE 60 1.456 -2.079 -6.908 494 HA PHE 60 HA PHE 60 -1.064 -2.955 -5.683 495 HB2 PHE 60 HB2 PHE 60 0.612 -0.489 -5.140 496 HB3 PHE 60 HB3 PHE 60 -1.004 -0.735 -4.508 497 HD1 PHE 60 HD1 PHE 60 2.308 -2.463 -4.621 498 HD2 PHE 60 HD2 PHE 60 -1.227 -1.604 -2.410 499 HE1 PHE 60 HE1 PHE 60 3.248 -3.627 -2.652 500 HE2 PHE 60 HE2 PHE 60 -0.291 -2.768 -0.448 501 HZ PHE 60 HZ PHE 60 1.945 -3.777 -0.576 502 H ARG 61 H ARG 61 -2.850 -2.389 -6.689 503 HA ARG 61 HA ARG 61 -2.775 -0.020 -8.415 504 HB2 ARG 61 HB2 ARG 61 -4.026 -1.105 -10.178 505 HB3 ARG 61 HB3 ARG 61 -2.566 -2.009 -9.827 506 HG2 ARG 61 HG2 ARG 61 -3.882 -3.792 -9.861 507 HG3 ARG 61 HG3 ARG 61 -4.302 -3.268 -8.239 508 HD2 ARG 61 HD2 ARG 61 -6.280 -2.161 -9.066 509 HD3 ARG 61 HD3 ARG 61 -5.812 -2.499 -10.734 510 HE ARG 61 HE ARG 61 -6.017 -4.879 -9.163 511 HH11 ARG 61 HH11 ARG 61 -7.902 -2.592 -11.038 512 HH12 ARG 61 HH12 ARG 61 -9.223 -3.679 -11.270 513 HH21 ARG 61 HH21 ARG 61 -7.736 -6.312 -9.484 514 HH22 ARG 61 HH22 ARG 61 -9.129 -5.821 -10.389 515 H PHE 62 H PHE 62 -4.439 1.297 -8.322 516 HA PHE 62 HA PHE 62 -6.724 0.518 -6.651 517 HB2 PHE 62 HB2 PHE 62 -5.238 1.881 -5.307 518 HB3 PHE 62 HB3 PHE 62 -5.112 3.067 -6.598 519 HD1 PHE 62 HD1 PHE 62 -7.397 1.606 -4.114 520 HD2 PHE 62 HD2 PHE 62 -6.683 4.792 -6.834 521 HE1 PHE 62 HE1 PHE 62 -9.276 2.855 -3.142 522 HE2 PHE 62 HE2 PHE 62 -8.562 6.049 -5.870 523 HZ PHE 62 HZ PHE 62 -9.861 5.079 -4.020 524 H ASP 63 H ASP 63 -8.633 1.025 -7.497 525 HA ASP 63 HA ASP 63 -10.193 1.658 -9.025 526 HB2 ASP 63 HB2 ASP 63 -8.790 4.024 -8.129 527 HB3 ASP 63 HB3 ASP 63 -9.488 4.251 -9.728 528 H GLY 64 H GLY 64 -7.919 0.331 -10.208 529 HA2 GLY 64 HA2 GLY 64 -7.582 -0.287 -12.421 530 HA3 GLY 64 HA3 GLY 64 -8.406 1.174 -12.933 531 H GLN 65 H GLN 65 -6.191 2.216 -10.728 532 HA GLN 65 HA GLN 65 -4.101 2.447 -12.795 533 HB2 GLN 65 HB2 GLN 65 -3.612 4.736 -11.931 534 HB3 GLN 65 HB3 GLN 65 -5.180 4.583 -12.705 535 HG2 GLN 65 HG2 GLN 65 -6.227 4.419 -10.490 536 HG3 GLN 65 HG3 GLN 65 -4.648 4.649 -9.745 537 HE21 GLN 65 HE21 GLN 65 -7.160 6.105 -11.614 538 HE22 GLN 65 HE22 GLN 65 -6.707 7.754 -11.325 539 HA PRO 66 HA PRO 66 -1.402 0.820 -9.684 540 HB2 PRO 66 HB2 PRO 66 0.954 1.359 -10.903 541 HB3 PRO 66 HB3 PRO 66 -0.127 0.078 -11.464 542 HG2 PRO 66 HG2 PRO 66 0.211 2.861 -12.516 543 HG3 PRO 66 HG3 PRO 66 0.070 1.337 -13.413 544 HD2 PRO 66 HD2 PRO 66 -2.029 3.037 -13.072 545 HD3 PRO 66 HD3 PRO 66 -2.225 1.275 -13.193 546 H ILE 67 H ILE 67 -0.152 1.572 -7.977 547 HA ILE 67 HA ILE 67 0.476 4.445 -7.970 548 HB ILE 67 HB ILE 67 -0.102 4.554 -5.540 549 HG12 ILE 67 HG12 ILE 67 -0.192 1.956 -5.351 550 HG13 ILE 67 HG13 ILE 67 -1.332 2.912 -4.412 551 HG21 ILE 67 HG21 ILE 67 -2.525 4.834 -5.889 552 HG22 ILE 67 HG22 ILE 67 -2.360 4.055 -7.464 553 HG23 ILE 67 HG23 ILE 67 -1.540 5.586 -7.143 554 HD11 ILE 67 HD11 ILE 67 -3.054 2.466 -6.096 555 HD12 ILE 67 HD12 ILE 67 -2.403 0.983 -5.399 556 HD13 ILE 67 HD13 ILE 67 -1.896 1.498 -7.006 557 H ASN 68 H ASN 68 2.333 5.015 -7.195 558 HA ASN 68 HA ASN 68 4.183 2.958 -6.311 559 HB2 ASN 68 HB2 ASN 68 5.690 5.189 -6.403 560 HB3 ASN 68 HB3 ASN 68 5.359 4.191 -7.814 561 HD21 ASN 68 HD21 ASN 68 4.554 7.136 -6.142 562 HD22 ASN 68 HD22 ASN 68 3.744 7.912 -7.452 563 H GLU 69 H GLU 69 5.587 3.336 -4.474 564 HA GLU 69 HA GLU 69 4.164 3.939 -2.131 565 HB2 GLU 69 HB2 GLU 69 6.458 3.810 -1.056 566 HB3 GLU 69 HB3 GLU 69 5.910 2.383 -1.929 567 HG2 GLU 69 HG2 GLU 69 7.365 2.766 -3.685 568 HG3 GLU 69 HG3 GLU 69 7.649 4.447 -3.235 569 H THR 70 H THR 70 5.848 5.988 -4.258 570 HA THR 70 HA THR 70 6.523 8.001 -2.328 571 HB THR 70 HB THR 70 7.147 9.334 -4.337 572 HG1 THR 70 HG1 THR 70 6.939 8.351 -6.357 573 HG21 THR 70 HG21 THR 70 8.164 6.498 -4.354 574 HG22 THR 70 HG22 THR 70 8.738 7.772 -3.273 575 HG23 THR 70 HG23 THR 70 8.997 7.906 -5.015 576 H ASP 71 H ASP 71 3.704 7.084 -3.903 577 HA ASP 71 HA ASP 71 2.594 9.763 -4.101 578 HB2 ASP 71 HB2 ASP 71 1.980 7.187 -5.241 579 HB3 ASP 71 HB3 ASP 71 0.541 7.874 -4.497 580 H THR 72 H THR 72 0.537 10.283 -3.056 581 HA THR 72 HA THR 72 0.309 9.021 -0.401 582 HB THR 72 HB THR 72 -0.610 11.259 0.337 583 HG1 THR 72 HG1 THR 72 0.633 12.653 -1.647 584 HG21 THR 72 HG21 THR 72 1.599 12.357 0.458 585 HG22 THR 72 HG22 THR 72 2.218 11.189 -0.716 586 HG23 THR 72 HG23 THR 72 1.669 10.645 0.877 587 HA PRO 73 HA PRO 73 -3.915 8.060 -1.321 588 HB2 PRO 73 HB2 PRO 73 -5.143 8.458 1.083 589 HB3 PRO 73 HB3 PRO 73 -4.095 7.076 0.752 590 HG2 PRO 73 HG2 PRO 73 -3.448 9.646 2.150 591 HG3 PRO 73 HG3 PRO 73 -3.026 7.985 2.611 592 HD2 PRO 73 HD2 PRO 73 -1.260 9.610 1.410 593 HD3 PRO 73 HD3 PRO 73 -1.297 7.867 1.080 594 H ALA 74 H ALA 74 -3.010 11.181 -0.278 595 HA ALA 74 HA ALA 74 -5.664 12.313 -0.758 596 HB1 ALA 74 HB1 ALA 74 -3.144 13.680 0.173 597 HB2 ALA 74 HB2 ALA 74 -4.413 13.052 1.221 598 HB3 ALA 74 HB3 ALA 74 -4.762 14.382 0.116 599 H GLN 75 H GLN 75 -2.712 11.754 -2.347 600 HA GLN 75 HA GLN 75 -2.662 13.997 -4.072 601 HB2 GLN 75 HB2 GLN 75 -0.750 12.469 -3.560 602 HB3 GLN 75 HB3 GLN 75 -1.520 11.260 -4.575 603 HG2 GLN 75 HG2 GLN 75 -0.715 12.175 -6.421 604 HG3 GLN 75 HG3 GLN 75 -1.247 13.789 -5.942 605 HE21 GLN 75 HE21 GLN 75 1.295 11.430 -5.679 606 HE22 GLN 75 HE22 GLN 75 2.546 12.545 -5.222 607 H LEU 76 H LEU 76 -4.176 10.856 -4.228 608 HA LEU 76 HA LEU 76 -5.407 11.634 -6.766 609 HB2 LEU 76 HB2 LEU 76 -6.089 9.109 -6.806 610 HB3 LEU 76 HB3 LEU 76 -4.487 9.593 -7.298 611 HG LEU 76 HG LEU 76 -4.631 7.491 -5.913 612 HD11 LEU 76 HD11 LEU 76 -2.671 7.977 -4.558 613 HD12 LEU 76 HD12 LEU 76 -2.929 9.703 -4.790 614 HD13 LEU 76 HD13 LEU 76 -2.532 8.679 -6.171 615 HD21 LEU 76 HD21 LEU 76 -6.299 8.080 -4.307 616 HD22 LEU 76 HD22 LEU 76 -5.348 9.456 -3.752 617 HD23 LEU 76 HD23 LEU 76 -4.781 7.815 -3.445 618 H GLU 77 H GLU 77 -5.966 11.820 -3.639 619 HA GLU 77 HA GLU 77 -7.714 11.948 -2.244 620 HB2 GLU 77 HB2 GLU 77 -8.789 12.995 -4.816 621 HB3 GLU 77 HB3 GLU 77 -9.848 12.864 -3.418 622 HG2 GLU 77 HG2 GLU 77 -7.245 14.365 -3.490 623 HG3 GLU 77 HG3 GLU 77 -8.848 15.086 -3.630 624 H MET 78 H MET 78 -7.429 9.439 -2.432 625 HA MET 78 HA MET 78 -9.716 8.054 -3.422 626 HB2 MET 78 HB2 MET 78 -8.834 6.150 -2.031 627 HB3 MET 78 HB3 MET 78 -7.709 6.787 -3.219 628 HG2 MET 78 HG2 MET 78 -6.517 7.991 -1.511 629 HG3 MET 78 HG3 MET 78 -7.707 7.503 -0.305 630 HE1 MET 78 HE1 MET 78 -6.605 5.039 -3.102 631 HE2 MET 78 HE2 MET 78 -5.151 4.302 -2.429 632 HE3 MET 78 HE3 MET 78 -5.124 5.987 -2.944 633 H GLU 79 H GLU 79 -10.991 6.635 -1.799 634 HA GLU 79 HA GLU 79 -12.102 8.522 0.125 635 HB2 GLU 79 HB2 GLU 79 -13.537 7.377 -1.627 636 HB3 GLU 79 HB3 GLU 79 -13.280 5.881 -0.741 637 HG2 GLU 79 HG2 GLU 79 -15.416 6.894 -0.175 638 HG3 GLU 79 HG3 GLU 79 -14.344 6.843 1.223 639 H ASP 80 H ASP 80 -12.875 7.621 2.209 640 HA ASP 80 HA ASP 80 -10.702 6.238 3.475 641 HB2 ASP 80 HB2 ASP 80 -11.966 6.502 5.559 642 HB3 ASP 80 HB3 ASP 80 -11.852 8.028 4.688 643 H GLU 81 H GLU 81 -10.561 4.218 4.093 644 HA GLU 81 HA GLU 81 -11.018 2.079 4.589 645 HB2 GLU 81 HB2 GLU 81 -13.936 2.737 4.153 646 HB3 GLU 81 HB3 GLU 81 -13.314 1.243 4.837 647 HG2 GLU 81 HG2 GLU 81 -12.277 2.655 6.655 648 HG3 GLU 81 HG3 GLU 81 -13.223 3.997 6.023 649 H ASP 82 H ASP 82 -10.871 3.413 1.835 650 HA ASP 82 HA ASP 82 -12.079 1.620 0.013 651 HB2 ASP 82 HB2 ASP 82 -10.792 4.015 -0.236 652 HB3 ASP 82 HB3 ASP 82 -9.562 2.904 -0.819 653 H THR 83 H THR 83 -10.430 0.494 -1.631 654 HA THR 83 HA THR 83 -8.459 -1.008 -0.058 655 HB THR 83 HB THR 83 -10.278 -2.471 -1.959 656 HG1 THR 83 HG1 THR 83 -11.194 -1.282 0.127 657 HG21 THR 83 HG21 THR 83 -8.201 -3.570 -1.220 658 HG22 THR 83 HG22 THR 83 -9.629 -4.399 -0.597 659 HG23 THR 83 HG23 THR 83 -8.692 -3.341 0.460 660 H ILE 84 H ILE 84 -6.819 -2.028 -1.298 661 HA ILE 84 HA ILE 84 -6.518 -1.023 -4.053 662 HB ILE 84 HB ILE 84 -4.404 -1.265 -1.881 663 HG12 ILE 84 HG12 ILE 84 -3.930 1.142 -2.635 664 HG13 ILE 84 HG13 ILE 84 -5.476 1.060 -3.469 665 HG21 ILE 84 HG21 ILE 84 -3.441 -2.179 -3.880 666 HG22 ILE 84 HG22 ILE 84 -2.748 -0.586 -3.568 667 HG23 ILE 84 HG23 ILE 84 -3.975 -0.783 -4.819 668 HD11 ILE 84 HD11 ILE 84 -5.707 2.145 -1.328 669 HD12 ILE 84 HD12 ILE 84 -5.028 0.732 -0.518 670 HD13 ILE 84 HD13 ILE 84 -6.585 0.614 -1.342 671 H ASP 85 H ASP 85 -5.666 -2.529 -5.526 672 HA ASP 85 HA ASP 85 -5.872 -5.307 -4.627 673 HB2 ASP 85 HB2 ASP 85 -7.083 -4.491 -6.657 674 HB3 ASP 85 HB3 ASP 85 -5.500 -4.228 -7.393 675 H VAL 86 H VAL 86 -4.201 -6.616 -4.461 676 HA VAL 86 HA VAL 86 -1.620 -5.673 -5.460 677 HB VAL 86 HB VAL 86 -2.333 -7.025 -2.890 678 HG11 VAL 86 HG11 VAL 86 0.380 -7.250 -4.211 679 HG12 VAL 86 HG12 VAL 86 -0.737 -8.585 -3.926 680 HG13 VAL 86 HG13 VAL 86 -0.012 -7.738 -2.560 681 HG21 VAL 86 HG21 VAL 86 -0.708 -5.442 -2.030 682 HG22 VAL 86 HG22 VAL 86 -1.941 -4.631 -2.996 683 HG23 VAL 86 HG23 VAL 86 -0.339 -4.920 -3.672 684 H PHE 87 H PHE 87 -0.494 -6.883 -6.712 685 HA PHE 87 HA PHE 87 -1.194 -9.689 -7.063 686 HB2 PHE 87 HB2 PHE 87 -0.818 -9.297 -9.578 687 HB3 PHE 87 HB3 PHE 87 -2.363 -8.805 -8.874 688 HD1 PHE 87 HD1 PHE 87 -2.541 -6.319 -8.178 689 HD2 PHE 87 HD2 PHE 87 0.387 -7.808 -10.868 690 HE1 PHE 87 HE1 PHE 87 -2.247 -4.072 -9.068 691 HE2 PHE 87 HE2 PHE 87 0.694 -5.547 -11.789 692 HZ PHE 87 HZ PHE 87 -0.626 -3.669 -10.892 693 H GLN 88 H GLN 88 0.525 -11.000 -7.658 694 HA GLN 88 HA GLN 88 3.123 -9.670 -7.332 695 HB2 GLN 88 HB2 GLN 88 2.833 -12.593 -6.865 696 HB3 GLN 88 HB3 GLN 88 3.885 -11.430 -6.073 697 HG2 GLN 88 HG2 GLN 88 1.697 -10.504 -5.038 698 HG3 GLN 88 HG3 GLN 88 1.003 -12.030 -5.549 699 HE21 GLN 88 HE21 GLN 88 4.282 -11.528 -4.360 700 HE22 GLN 88 HE22 GLN 88 4.097 -12.515 -2.950 701 H GLN 89 H GLN 89 4.085 -9.457 -9.209 702 HA GLN 89 HA GLN 89 3.877 -11.618 -11.181 703 HB2 GLN 89 HB2 GLN 89 4.901 -9.779 -12.708 704 HB3 GLN 89 HB3 GLN 89 3.199 -9.693 -12.282 705 HG2 GLN 89 HG2 GLN 89 3.641 -8.009 -10.625 706 HG3 GLN 89 HG3 GLN 89 5.380 -8.175 -10.865 707 HE21 GLN 89 HE21 GLN 89 2.396 -7.018 -12.242 708 HE22 GLN 89 HE22 GLN 89 3.116 -5.978 -13.417 709 H GLN 90 H GLN 90 5.447 -12.943 -10.108 710 HA GLN 90 HA GLN 90 8.056 -12.577 -11.086 711 HB2 GLN 90 HB2 GLN 90 9.049 -12.648 -8.614 712 HB3 GLN 90 HB3 GLN 90 8.774 -11.150 -9.483 713 HG2 GLN 90 HG2 GLN 90 7.978 -10.774 -7.321 714 HG3 GLN 90 HG3 GLN 90 6.541 -11.031 -8.297 715 HE21 GLN 90 HE21 GLN 90 5.274 -12.841 -7.923 716 HE22 GLN 90 HE22 GLN 90 5.492 -13.860 -6.547 717 H THR 91 H THR 91 8.139 -14.604 -11.826 718 HA THR 91 HA THR 91 7.229 -16.899 -10.573 719 HB THR 91 HB THR 91 9.630 -16.813 -12.393 720 HG1 THR 91 HG1 THR 91 6.906 -16.260 -12.907 721 HG21 THR 91 HG21 THR 91 7.347 -18.779 -12.126 722 HG22 THR 91 HG22 THR 91 8.965 -19.004 -11.465 723 HG23 THR 91 HG23 THR 91 8.728 -18.933 -13.211 724 H GLY 92 H GLY 92 7.841 -17.484 -8.557 725 HA2 GLY 92 HA2 GLY 92 10.717 -17.413 -7.902 726 HA3 GLY 92 HA3 GLY 92 9.424 -17.282 -6.718 727 H GLY 93 H GLY 93 10.233 -19.512 -9.362 728 HA2 GLY 93 HA2 GLY 93 11.080 -21.741 -8.604 729 HA3 GLY 93 HA3 GLY 93 9.731 -21.721 -7.475 Start of MODEL 17 1 H MET 1 H MET 1 -3.475 47.698 2.898 2 HA MET 1 HA MET 1 -4.118 47.622 0.023 3 HB2 MET 1 HB2 MET 1 -1.606 46.903 1.541 4 HB3 MET 1 HB3 MET 1 -1.912 46.405 -0.112 5 HG2 MET 1 HG2 MET 1 -2.038 48.757 -0.787 6 HG3 MET 1 HG3 MET 1 -1.684 49.235 0.872 7 HE1 MET 1 HE1 MET 1 -0.019 50.161 -1.744 8 HE2 MET 1 HE2 MET 1 1.621 50.082 -1.100 9 HE3 MET 1 HE3 MET 1 0.314 50.732 -0.110 10 H ALA 2 H ALA 2 -5.453 46.031 -0.351 11 HA ALA 2 HA ALA 2 -5.011 43.474 0.999 12 HB1 ALA 2 HB1 ALA 2 -6.851 44.635 2.165 13 HB2 ALA 2 HB2 ALA 2 -7.388 43.159 1.364 14 HB3 ALA 2 HB3 ALA 2 -7.733 44.730 0.641 15 H ASP 3 H ASP 3 -4.364 42.276 -0.666 16 HA ASP 3 HA ASP 3 -5.997 42.326 -3.114 17 HB2 ASP 3 HB2 ASP 3 -4.020 41.659 -4.357 18 HB3 ASP 3 HB3 ASP 3 -3.693 43.143 -3.472 19 H GLU 4 H GLU 4 -5.844 40.723 -0.463 20 HA GLU 4 HA GLU 4 -5.195 38.070 -0.992 21 HB2 GLU 4 HB2 GLU 4 -7.346 39.113 0.844 22 HB3 GLU 4 HB3 GLU 4 -6.618 37.518 0.908 23 HG2 GLU 4 HG2 GLU 4 -4.479 38.492 1.498 24 HG3 GLU 4 HG3 GLU 4 -5.166 40.113 1.365 25 H LYS 5 H LYS 5 -8.479 39.283 -0.663 26 HA LYS 5 HA LYS 5 -10.468 38.594 -1.510 27 HB2 LYS 5 HB2 LYS 5 -9.443 39.652 -3.540 28 HB3 LYS 5 HB3 LYS 5 -8.875 38.066 -4.031 29 HG2 LYS 5 HG2 LYS 5 -10.873 38.639 -5.249 30 HG3 LYS 5 HG3 LYS 5 -11.202 37.291 -4.160 31 HD2 LYS 5 HD2 LYS 5 -12.218 38.826 -2.554 32 HD3 LYS 5 HD3 LYS 5 -11.864 40.185 -3.621 33 HE2 LYS 5 HE2 LYS 5 -13.639 37.842 -4.299 34 HE3 LYS 5 HE3 LYS 5 -14.205 39.431 -3.788 35 HZ1 LYS 5 HZ1 LYS 5 -13.129 40.374 -5.758 36 HZ2 LYS 5 HZ2 LYS 5 -14.303 39.239 -6.168 37 HZ3 LYS 5 HZ3 LYS 5 -12.670 38.827 -6.260 38 HA PRO 6 HA PRO 6 -9.339 34.159 -0.704 39 HB2 PRO 6 HB2 PRO 6 -11.207 33.808 1.253 40 HB3 PRO 6 HB3 PRO 6 -9.573 34.406 1.562 41 HG2 PRO 6 HG2 PRO 6 -12.128 35.931 1.273 42 HG3 PRO 6 HG3 PRO 6 -10.812 36.167 2.437 43 HD2 PRO 6 HD2 PRO 6 -11.098 37.723 0.252 44 HD3 PRO 6 HD3 PRO 6 -9.502 37.312 0.911 45 H LYS 7 H LYS 7 -10.671 32.251 -0.846 46 HA LYS 7 HA LYS 7 -12.732 32.559 -2.844 47 HB2 LYS 7 HB2 LYS 7 -10.997 30.831 -3.047 48 HB3 LYS 7 HB3 LYS 7 -11.566 30.084 -1.564 49 HG2 LYS 7 HG2 LYS 7 -13.678 29.569 -2.597 50 HG3 LYS 7 HG3 LYS 7 -13.177 30.388 -4.078 51 HD2 LYS 7 HD2 LYS 7 -11.787 27.989 -2.879 52 HD3 LYS 7 HD3 LYS 7 -12.951 27.914 -4.202 53 HE2 LYS 7 HE2 LYS 7 -11.507 29.233 -5.611 54 HE3 LYS 7 HE3 LYS 7 -10.385 29.494 -4.278 55 HZ1 LYS 7 HZ1 LYS 7 -9.604 27.776 -5.781 56 HZ2 LYS 7 HZ2 LYS 7 -11.005 26.869 -5.514 57 HZ3 LYS 7 HZ3 LYS 7 -9.915 27.134 -4.250 58 H GLU 8 H GLU 8 -12.401 31.431 0.471 59 HA GLU 8 HA GLU 8 -15.030 32.196 1.158 60 HB2 GLU 8 HB2 GLU 8 -15.916 30.013 1.745 61 HB3 GLU 8 HB3 GLU 8 -15.511 30.055 0.035 62 HG2 GLU 8 HG2 GLU 8 -13.541 28.769 0.393 63 HG3 GLU 8 HG3 GLU 8 -13.734 28.872 2.142 64 H GLY 9 H GLY 9 -15.384 31.857 3.515 65 HA2 GLY 9 HA2 GLY 9 -12.827 32.046 4.879 66 HA3 GLY 9 HA3 GLY 9 -14.404 32.421 5.558 67 H VAL 10 H VAL 10 -12.804 29.549 4.184 68 HA VAL 10 HA VAL 10 -14.051 27.920 6.242 69 HB VAL 10 HB VAL 10 -14.060 27.028 3.962 70 HG11 VAL 10 HG11 VAL 10 -12.029 26.361 2.818 71 HG12 VAL 10 HG12 VAL 10 -11.054 26.976 4.151 72 HG13 VAL 10 HG13 VAL 10 -11.997 28.093 3.163 73 HG21 VAL 10 HG21 VAL 10 -12.260 25.446 5.806 74 HG22 VAL 10 HG22 VAL 10 -13.125 24.792 4.417 75 HG23 VAL 10 HG23 VAL 10 -14.023 25.423 5.794 76 H LYS 11 H LYS 11 -13.020 27.033 7.933 77 HA LYS 11 HA LYS 11 -10.267 27.893 8.381 78 HB2 LYS 11 HB2 LYS 11 -12.026 28.402 10.079 79 HB3 LYS 11 HB3 LYS 11 -12.224 26.674 10.328 80 HG2 LYS 11 HG2 LYS 11 -10.863 27.614 12.077 81 HG3 LYS 11 HG3 LYS 11 -9.890 26.533 11.078 82 HD2 LYS 11 HD2 LYS 11 -8.939 28.437 9.905 83 HD3 LYS 11 HD3 LYS 11 -9.975 29.540 10.812 84 HE2 LYS 11 HE2 LYS 11 -7.873 27.738 12.012 85 HE3 LYS 11 HE3 LYS 11 -7.669 29.458 11.689 86 HZ1 LYS 11 HZ1 LYS 11 -9.667 28.271 13.540 87 HZ2 LYS 11 HZ2 LYS 11 -9.468 29.923 13.235 88 HZ3 LYS 11 HZ3 LYS 11 -8.241 29.051 13.993 89 H THR 12 H THR 12 -8.660 26.517 8.466 90 HA THR 12 HA THR 12 -8.586 23.992 7.473 91 HB THR 12 HB THR 12 -6.557 25.288 8.129 92 HG1 THR 12 HG1 THR 12 -6.449 22.673 9.241 93 HG21 THR 12 HG21 THR 12 -5.647 25.007 10.396 94 HG22 THR 12 HG22 THR 12 -7.118 24.153 10.867 95 HG23 THR 12 HG23 THR 12 -7.195 25.860 10.427 96 H GLU 13 H GLU 13 -9.058 21.971 8.052 97 HA GLU 13 HA GLU 13 -10.641 21.599 10.454 98 HB2 GLU 13 HB2 GLU 13 -11.099 19.347 9.438 99 HB3 GLU 13 HB3 GLU 13 -11.618 20.718 8.468 100 HG2 GLU 13 HG2 GLU 13 -9.731 20.496 7.029 101 HG3 GLU 13 HG3 GLU 13 -9.035 19.236 8.048 102 H ASN 14 H ASN 14 -10.394 19.297 11.385 103 HA ASN 14 HA ASN 14 -7.952 19.166 12.753 104 HB2 ASN 14 HB2 ASN 14 -10.016 16.976 12.440 105 HB3 ASN 14 HB3 ASN 14 -8.772 17.062 13.684 106 HD21 ASN 14 HD21 ASN 14 -11.794 18.256 12.576 107 HD22 ASN 14 HD22 ASN 14 -12.219 19.136 14.002 108 H ASN 15 H ASN 15 -6.213 17.894 12.484 109 HA ASN 15 HA ASN 15 -5.962 16.737 9.819 110 HB2 ASN 15 HB2 ASN 15 -3.776 17.282 11.838 111 HB3 ASN 15 HB3 ASN 15 -3.547 16.776 10.165 112 HD21 ASN 15 HD21 ASN 15 -5.855 18.514 9.358 113 HD22 ASN 15 HD22 ASN 15 -5.232 20.120 9.340 114 H ASP 16 H ASP 16 -7.258 14.938 10.322 115 HA ASP 16 HA ASP 16 -5.991 12.944 12.042 116 HB2 ASP 16 HB2 ASP 16 -8.102 11.737 11.964 117 HB3 ASP 16 HB3 ASP 16 -8.408 13.412 12.402 118 H HIS 17 H HIS 17 -6.900 10.628 10.870 119 HA HIS 17 HA HIS 17 -5.914 10.698 8.146 120 HB2 HIS 17 HB2 HIS 17 -4.389 8.801 8.531 121 HB3 HIS 17 HB3 HIS 17 -3.909 10.243 9.409 122 HD1 HIS 17 HD1 HIS 17 -4.719 10.163 12.063 123 HD2 HIS 17 HD2 HIS 17 -4.364 6.586 10.006 124 HE1 HIS 17 HE1 HIS 17 -4.482 8.406 13.823 125 HE2 HIS 17 HE2 HIS 17 -3.951 6.320 12.535 126 H ILE 18 H ILE 18 -6.257 8.566 7.031 127 HA ILE 18 HA ILE 18 -8.876 7.591 7.937 128 HB ILE 18 HB ILE 18 -9.422 7.125 5.615 129 HG12 ILE 18 HG12 ILE 18 -6.885 8.628 4.889 130 HG13 ILE 18 HG13 ILE 18 -7.033 6.874 4.834 131 HG21 ILE 18 HG21 ILE 18 -9.703 9.478 4.892 132 HG22 ILE 18 HG22 ILE 18 -8.585 9.974 6.165 133 HG23 ILE 18 HG23 ILE 18 -10.128 9.225 6.585 134 HD11 ILE 18 HD11 ILE 18 -8.620 8.848 3.204 135 HD12 ILE 18 HD12 ILE 18 -8.781 7.092 3.140 136 HD13 ILE 18 HD13 ILE 18 -7.276 7.857 2.632 137 H ASN 19 H ASN 19 -9.488 5.469 6.948 138 HA ASN 19 HA ASN 19 -7.357 3.547 7.466 139 HB2 ASN 19 HB2 ASN 19 -10.333 3.137 7.073 140 HB3 ASN 19 HB3 ASN 19 -9.178 1.891 7.532 141 HD21 ASN 19 HD21 ASN 19 -10.860 4.758 8.550 142 HD22 ASN 19 HD22 ASN 19 -10.594 4.558 10.234 143 H LEU 20 H LEU 20 -6.618 2.207 5.940 144 HA LEU 20 HA LEU 20 -7.968 2.164 3.319 145 HB2 LEU 20 HB2 LEU 20 -5.165 2.809 3.953 146 HB3 LEU 20 HB3 LEU 20 -5.365 1.625 2.680 147 HG LEU 20 HG LEU 20 -5.166 3.744 1.633 148 HD11 LEU 20 HD11 LEU 20 -6.910 2.230 0.745 149 HD12 LEU 20 HD12 LEU 20 -7.199 3.933 0.403 150 HD13 LEU 20 HD13 LEU 20 -8.112 3.128 1.674 151 HD21 LEU 20 HD21 LEU 20 -6.614 5.639 2.150 152 HD22 LEU 20 HD22 LEU 20 -5.641 5.164 3.540 153 HD23 LEU 20 HD23 LEU 20 -7.346 4.720 3.464 154 H LYS 21 H LYS 21 -7.539 0.215 2.099 155 HA LYS 21 HA LYS 21 -6.730 -2.055 3.764 156 HB2 LYS 21 HB2 LYS 21 -9.185 -1.866 2.045 157 HB3 LYS 21 HB3 LYS 21 -8.617 -3.344 2.810 158 HG2 LYS 21 HG2 LYS 21 -9.052 -2.533 4.942 159 HG3 LYS 21 HG3 LYS 21 -9.274 -0.884 4.360 160 HD2 LYS 21 HD2 LYS 21 -11.434 -1.828 4.851 161 HD3 LYS 21 HD3 LYS 21 -11.268 -1.646 3.105 162 HE2 LYS 21 HE2 LYS 21 -10.756 -4.006 2.888 163 HE3 LYS 21 HE3 LYS 21 -10.835 -4.207 4.639 164 HZ1 LYS 21 HZ1 LYS 21 -12.891 -4.914 3.576 165 HZ2 LYS 21 HZ2 LYS 21 -13.088 -3.396 2.870 166 HZ3 LYS 21 HZ3 LYS 21 -13.184 -3.562 4.545 167 H VAL 22 H VAL 22 -5.847 -3.736 2.648 168 HA VAL 22 HA VAL 22 -5.435 -3.290 -0.226 169 HB VAL 22 HB VAL 22 -3.313 -4.185 1.742 170 HG11 VAL 22 HG11 VAL 22 -3.197 -5.489 -0.299 171 HG12 VAL 22 HG12 VAL 22 -1.843 -4.363 -0.182 172 HG13 VAL 22 HG13 VAL 22 -3.200 -4.005 -1.253 173 HG21 VAL 22 HG21 VAL 22 -3.733 -1.741 1.592 174 HG22 VAL 22 HG22 VAL 22 -3.373 -1.822 -0.130 175 HG23 VAL 22 HG23 VAL 22 -2.124 -2.209 1.052 176 H ALA 23 H ALA 23 -6.265 -4.857 -1.323 177 HA ALA 23 HA ALA 23 -6.714 -7.448 -0.079 178 HB1 ALA 23 HB1 ALA 23 -8.572 -6.409 -1.285 179 HB2 ALA 23 HB2 ALA 23 -8.079 -7.931 -2.035 180 HB3 ALA 23 HB3 ALA 23 -7.603 -6.395 -2.762 181 H GLY 24 H GLY 24 -5.351 -9.015 -0.357 182 HA2 GLY 24 HA2 GLY 24 -3.220 -8.697 -2.301 183 HA3 GLY 24 HA3 GLY 24 -3.289 -9.899 -1.018 184 H GLN 25 H GLN 25 -2.596 -10.533 -3.590 185 HA GLN 25 HA GLN 25 -4.775 -11.552 -5.099 186 HB2 GLN 25 HB2 GLN 25 -2.901 -13.042 -6.137 187 HB3 GLN 25 HB3 GLN 25 -2.902 -11.305 -6.404 188 HG2 GLN 25 HG2 GLN 25 -0.669 -12.381 -5.901 189 HG3 GLN 25 HG3 GLN 25 -1.097 -10.958 -4.961 190 HE21 GLN 25 HE21 GLN 25 -0.802 -14.443 -4.881 191 HE22 GLN 25 HE22 GLN 25 -0.636 -14.576 -3.168 192 H ASP 26 H ASP 26 -3.255 -12.582 -2.288 193 HA ASP 26 HA ASP 26 -3.760 -15.363 -2.337 194 HB2 ASP 26 HB2 ASP 26 -2.177 -14.433 -0.770 195 HB3 ASP 26 HB3 ASP 26 -3.405 -13.386 -0.076 196 H GLY 27 H GLY 27 -5.735 -12.632 -1.957 197 HA2 GLY 27 HA2 GLY 27 -8.126 -12.749 -2.115 198 HA3 GLY 27 HA3 GLY 27 -8.058 -14.358 -1.409 199 H SER 28 H SER 28 -6.054 -12.260 0.222 200 HA SER 28 HA SER 28 -8.046 -11.947 2.342 201 HB2 SER 28 HB2 SER 28 -6.062 -13.368 2.891 202 HB3 SER 28 HB3 SER 28 -5.026 -11.976 2.582 203 HG SER 28 HG SER 28 -5.995 -12.576 4.849 204 H VAL 29 H VAL 29 -7.642 -9.986 3.705 205 HA VAL 29 HA VAL 29 -6.504 -7.807 2.155 206 HB VAL 29 HB VAL 29 -8.930 -7.924 1.629 207 HG11 VAL 29 HG11 VAL 29 -10.560 -7.218 3.346 208 HG12 VAL 29 HG12 VAL 29 -9.276 -7.287 4.555 209 HG13 VAL 29 HG13 VAL 29 -9.791 -8.760 3.730 210 HG21 VAL 29 HG21 VAL 29 -9.411 -5.531 2.040 211 HG22 VAL 29 HG22 VAL 29 -7.778 -5.805 1.434 212 HG23 VAL 29 HG23 VAL 29 -8.038 -5.472 3.146 213 H VAL 30 H VAL 30 -5.577 -6.236 3.386 214 HA VAL 30 HA VAL 30 -5.700 -6.631 6.283 215 HB VAL 30 HB VAL 30 -3.447 -6.820 5.290 216 HG11 VAL 30 HG11 VAL 30 -3.741 -5.372 3.373 217 HG12 VAL 30 HG12 VAL 30 -2.335 -4.876 4.319 218 HG13 VAL 30 HG13 VAL 30 -3.840 -3.965 4.430 219 HG21 VAL 30 HG21 VAL 30 -3.540 -6.051 7.557 220 HG22 VAL 30 HG22 VAL 30 -3.888 -4.404 7.034 221 HG23 VAL 30 HG23 VAL 30 -2.306 -5.111 6.712 222 H GLN 31 H GLN 31 -6.296 -4.943 7.626 223 HA GLN 31 HA GLN 31 -7.202 -2.501 6.293 224 HB2 GLN 31 HB2 GLN 31 -8.139 -3.566 8.929 225 HB3 GLN 31 HB3 GLN 31 -8.903 -2.346 7.919 226 HG2 GLN 31 HG2 GLN 31 -9.324 -4.051 6.198 227 HG3 GLN 31 HG3 GLN 31 -8.636 -5.269 7.263 228 HE21 GLN 31 HE21 GLN 31 -11.275 -3.116 6.711 229 HE22 GLN 31 HE22 GLN 31 -12.357 -3.881 7.809 230 H PHE 32 H PHE 32 -6.196 -0.730 6.856 231 HA PHE 32 HA PHE 32 -4.761 -0.499 9.387 232 HB2 PHE 32 HB2 PHE 32 -2.673 0.201 8.197 233 HB3 PHE 32 HB3 PHE 32 -3.058 -1.510 8.029 234 HD1 PHE 32 HD1 PHE 32 -4.361 -2.176 5.880 235 HD2 PHE 32 HD2 PHE 32 -2.209 1.470 6.302 236 HE1 PHE 32 HE1 PHE 32 -4.295 -1.941 3.445 237 HE2 PHE 32 HE2 PHE 32 -2.134 1.706 3.881 238 HZ PHE 32 HZ PHE 32 -3.170 0.007 2.439 239 H LYS 33 H LYS 33 -3.730 1.688 9.561 240 HA LYS 33 HA LYS 33 -5.490 3.662 8.261 241 HB2 LYS 33 HB2 LYS 33 -4.216 3.984 10.976 242 HB3 LYS 33 HB3 LYS 33 -5.435 5.015 10.240 243 HG2 LYS 33 HG2 LYS 33 -6.877 2.875 10.200 244 HG3 LYS 33 HG3 LYS 33 -5.728 2.285 11.395 245 HD2 LYS 33 HD2 LYS 33 -7.291 4.853 11.649 246 HD3 LYS 33 HD3 LYS 33 -7.742 3.329 12.406 247 HE2 LYS 33 HE2 LYS 33 -5.512 3.354 13.557 248 HE3 LYS 33 HE3 LYS 33 -5.280 4.982 12.922 249 HZ1 LYS 33 HZ1 LYS 33 -7.291 5.669 14.091 250 HZ2 LYS 33 HZ2 LYS 33 -6.141 5.059 15.162 251 HZ3 LYS 33 HZ3 LYS 33 -7.467 4.112 14.725 252 H ILE 34 H ILE 34 -4.635 5.469 7.343 253 HA ILE 34 HA ILE 34 -1.779 6.007 7.644 254 HB ILE 34 HB ILE 34 -1.850 4.467 5.753 255 HG12 ILE 34 HG12 ILE 34 -1.458 7.299 4.759 256 HG13 ILE 34 HG13 ILE 34 -0.266 6.378 5.667 257 HG21 ILE 34 HG21 ILE 34 -3.093 4.992 3.706 258 HG22 ILE 34 HG22 ILE 34 -3.822 6.378 4.518 259 HG23 ILE 34 HG23 ILE 34 -4.157 4.744 5.092 260 HD11 ILE 34 HD11 ILE 34 -1.344 5.647 2.953 261 HD12 ILE 34 HD12 ILE 34 -0.113 4.766 3.862 262 HD13 ILE 34 HD13 ILE 34 0.219 6.394 3.282 263 H LYS 35 H LYS 35 -1.186 8.158 7.067 264 HA LYS 35 HA LYS 35 -3.364 10.040 7.305 265 HB2 LYS 35 HB2 LYS 35 -0.458 10.708 6.899 266 HB3 LYS 35 HB3 LYS 35 -1.706 11.725 7.605 267 HG2 LYS 35 HG2 LYS 35 -1.862 9.794 9.350 268 HG3 LYS 35 HG3 LYS 35 -0.242 9.428 8.781 269 HD2 LYS 35 HD2 LYS 35 -0.952 12.221 9.631 270 HD3 LYS 35 HD3 LYS 35 -0.512 11.009 10.827 271 HE2 LYS 35 HE2 LYS 35 1.462 12.242 10.289 272 HE3 LYS 35 HE3 LYS 35 1.619 10.648 9.557 273 HZ1 LYS 35 HZ1 LYS 35 0.714 13.066 8.096 274 HZ2 LYS 35 HZ2 LYS 35 1.107 11.547 7.435 275 HZ3 LYS 35 HZ3 LYS 35 2.311 12.507 8.118 276 H ARG 36 H ARG 36 -3.690 11.820 5.865 277 HA ARG 36 HA ARG 36 -3.867 10.997 3.173 278 HB2 ARG 36 HB2 ARG 36 -4.067 13.867 4.048 279 HB3 ARG 36 HB3 ARG 36 -4.923 13.059 2.749 280 HG2 ARG 36 HG2 ARG 36 -5.406 12.792 5.704 281 HG3 ARG 36 HG3 ARG 36 -6.474 13.496 4.492 282 HD2 ARG 36 HD2 ARG 36 -5.666 10.598 4.703 283 HD3 ARG 36 HD3 ARG 36 -7.228 11.271 5.156 284 HE ARG 36 HE ARG 36 -6.233 10.788 2.462 285 HH11 ARG 36 HH11 ARG 36 -8.759 12.197 4.459 286 HH12 ARG 36 HH12 ARG 36 -9.970 12.091 3.225 287 HH21 ARG 36 HH21 ARG 36 -7.876 10.649 0.817 288 HH22 ARG 36 HH22 ARG 36 -9.471 11.207 1.171 289 H HIS 37 H HIS 37 -1.640 13.071 4.922 290 HA HIS 37 HA HIS 37 -0.204 13.810 2.498 291 HB2 HIS 37 HB2 HIS 37 -0.675 15.428 4.382 292 HB3 HIS 37 HB3 HIS 37 0.446 14.503 5.372 293 HD1 HIS 37 HD1 HIS 37 2.853 15.194 5.239 294 HD2 HIS 37 HD2 HIS 37 0.616 16.666 2.065 295 HE1 HIS 37 HE1 HIS 37 4.393 16.723 3.983 296 HE2 HIS 37 HE2 HIS 37 2.951 17.762 2.207 297 H THR 38 H THR 38 -0.299 11.089 4.122 298 HA THR 38 HA THR 38 2.562 10.698 4.463 299 HB THR 38 HB THR 38 0.156 9.114 5.379 300 HG1 THR 38 HG1 THR 38 2.208 9.646 7.098 301 HG21 THR 38 HG21 THR 38 3.063 8.269 5.515 302 HG22 THR 38 HG22 THR 38 1.822 7.510 4.520 303 HG23 THR 38 HG23 THR 38 1.707 7.439 6.282 304 HA PRO 39 HA PRO 39 2.843 8.806 0.465 305 HB2 PRO 39 HB2 PRO 39 5.212 7.512 0.861 306 HB3 PRO 39 HB3 PRO 39 5.091 9.242 0.510 307 HG2 PRO 39 HG2 PRO 39 5.440 7.850 3.134 308 HG3 PRO 39 HG3 PRO 39 6.243 9.310 2.532 309 HD2 PRO 39 HD2 PRO 39 4.207 9.424 4.274 310 HD3 PRO 39 HD3 PRO 39 4.422 10.655 3.016 311 H LEU 40 H LEU 40 2.513 6.844 -0.517 312 HA LEU 40 HA LEU 40 1.284 4.783 0.927 313 HB2 LEU 40 HB2 LEU 40 2.376 4.867 -1.874 314 HB3 LEU 40 HB3 LEU 40 1.401 3.555 -1.247 315 HG LEU 40 HG LEU 40 0.459 6.401 -1.381 316 HD11 LEU 40 HD11 LEU 40 0.920 5.650 -3.626 317 HD12 LEU 40 HD12 LEU 40 -0.823 5.707 -3.360 318 HD13 LEU 40 HD13 LEU 40 0.025 4.161 -3.334 319 HD21 LEU 40 HD21 LEU 40 -1.743 5.446 -1.100 320 HD22 LEU 40 HD22 LEU 40 -0.693 4.967 0.234 321 HD23 LEU 40 HD23 LEU 40 -1.049 3.827 -1.068 322 H SER 41 H SER 41 4.570 5.426 0.508 323 HA SER 41 HA SER 41 5.768 2.954 0.251 324 HB2 SER 41 HB2 SER 41 6.889 5.248 0.394 325 HB3 SER 41 HB3 SER 41 6.783 5.081 2.144 326 HG SER 41 HG SER 41 8.314 3.614 0.290 327 HH31 ALY 42 HH31 ALY 42 -1.015 1.366 9.383 328 HH32 ALY 42 HH32 ALY 42 -0.068 1.321 10.884 329 HH33 ALY 42 HH33 ALY 42 0.601 0.676 9.370 330 HZ ALY 42 HZ ALY 42 -0.035 2.794 7.598 331 HE3 ALY 42 HE3 ALY 42 1.823 4.809 8.085 332 HE2 ALY 42 HE2 ALY 42 2.704 3.294 7.890 333 HD3 ALY 42 HD3 ALY 42 1.619 2.967 5.701 334 HD2 ALY 42 HD2 ALY 42 0.779 4.504 5.905 335 HG3 ALY 42 HG3 ALY 42 2.708 4.812 4.472 336 HG2 ALY 42 HG2 ALY 42 2.972 5.650 5.997 337 HB3 ALY 42 HB3 ALY 42 4.989 4.623 5.739 338 HB2 ALY 42 HB2 ALY 42 4.141 3.402 6.661 339 HCA ALY 42 HCA ALY 42 5.355 2.305 4.902 340 H ALY 42 H ALY 42 4.619 4.493 3.266 341 H LEU 43 H LEU 43 2.481 3.142 3.101 342 HA LEU 43 HA LEU 43 0.718 1.215 4.140 343 HB2 LEU 43 HB2 LEU 43 -0.222 2.959 2.847 344 HB3 LEU 43 HB3 LEU 43 0.874 2.680 1.514 345 HG LEU 43 HG LEU 43 -1.142 0.569 2.210 346 HD11 LEU 43 HD11 LEU 43 -1.675 3.071 0.618 347 HD12 LEU 43 HD12 LEU 43 -2.464 2.597 2.122 348 HD13 LEU 43 HD13 LEU 43 -2.714 1.652 0.651 349 HD21 LEU 43 HD21 LEU 43 -1.049 0.211 -0.231 350 HD22 LEU 43 HD22 LEU 43 0.544 0.078 0.520 351 HD23 LEU 43 HD23 LEU 43 0.101 1.551 -0.365 352 H MET 44 H MET 44 2.861 1.113 1.316 353 HA MET 44 HA MET 44 2.319 -1.506 0.510 354 HB2 MET 44 HB2 MET 44 4.629 0.357 0.151 355 HB3 MET 44 HB3 MET 44 4.821 -1.329 -0.302 356 HG2 MET 44 HG2 MET 44 3.196 -1.203 -1.944 357 HG3 MET 44 HG3 MET 44 2.534 0.312 -1.355 358 HE1 MET 44 HE1 MET 44 3.102 -0.145 -4.390 359 HE2 MET 44 HE2 MET 44 3.944 1.341 -4.833 360 HE3 MET 44 HE3 MET 44 2.565 1.402 -3.738 361 H LYS 45 H LYS 45 4.832 -0.247 2.662 362 HA LYS 45 HA LYS 45 6.018 -2.704 3.258 363 HB2 LYS 45 HB2 LYS 45 7.124 -0.603 3.761 364 HB3 LYS 45 HB3 LYS 45 5.859 -0.172 4.900 365 HG2 LYS 45 HG2 LYS 45 7.875 -0.905 6.043 366 HG3 LYS 45 HG3 LYS 45 6.530 -2.000 6.365 367 HD2 LYS 45 HD2 LYS 45 8.498 -3.318 5.982 368 HD3 LYS 45 HD3 LYS 45 7.436 -3.503 4.587 369 HE2 LYS 45 HE2 LYS 45 8.773 -1.995 3.288 370 HE3 LYS 45 HE3 LYS 45 9.736 -1.557 4.700 371 HZ1 LYS 45 HZ1 LYS 45 9.651 -4.225 3.401 372 HZ2 LYS 45 HZ2 LYS 45 10.558 -3.838 4.766 373 HZ3 LYS 45 HZ3 LYS 45 10.911 -3.104 3.287 374 H ALA 46 H ALA 46 3.335 -1.004 4.788 375 HA ALA 46 HA ALA 46 3.063 -2.598 7.082 376 HB1 ALA 46 HB1 ALA 46 1.886 -0.468 6.773 377 HB2 ALA 46 HB2 ALA 46 0.784 -1.769 7.228 378 HB3 ALA 46 HB3 ALA 46 0.858 -1.222 5.553 379 H TYR 47 H TYR 47 1.452 -2.919 3.914 380 HA TYR 47 HA TYR 47 0.054 -5.270 4.561 381 HB2 TYR 47 HB2 TYR 47 -0.727 -4.093 2.679 382 HB3 TYR 47 HB3 TYR 47 0.873 -4.016 1.946 383 HD1 TYR 47 HD1 TYR 47 -2.003 -6.211 2.651 384 HD2 TYR 47 HD2 TYR 47 1.694 -5.814 0.592 385 HE1 TYR 47 HE1 TYR 47 -2.527 -8.217 1.352 386 HE2 TYR 47 HE2 TYR 47 1.180 -7.821 -0.730 387 HH TYR 47 HH TYR 47 -0.223 -9.846 -0.540 388 H CYS 48 H CYS 48 3.201 -4.691 3.155 389 HA CYS 48 HA CYS 48 3.777 -7.356 2.402 390 HB2 CYS 48 HB2 CYS 48 5.657 -5.094 3.051 391 HB3 CYS 48 HB3 CYS 48 6.137 -6.610 2.290 392 HG CYS 48 HG CYS 48 4.049 -4.250 0.998 393 H GLU 49 H GLU 49 4.222 -5.631 5.394 394 HA GLU 49 HA GLU 49 5.808 -7.613 6.670 395 HB2 GLU 49 HB2 GLU 49 4.022 -5.498 7.868 396 HB3 GLU 49 HB3 GLU 49 5.266 -6.403 8.723 397 HG2 GLU 49 HG2 GLU 49 5.801 -4.649 6.358 398 HG3 GLU 49 HG3 GLU 49 5.906 -4.092 8.016 399 H ARG 50 H ARG 50 2.368 -6.899 6.517 400 HA ARG 50 HA ARG 50 1.505 -8.808 8.416 401 HB2 ARG 50 HB2 ARG 50 0.030 -7.579 6.090 402 HB3 ARG 50 HB3 ARG 50 -0.723 -8.487 7.396 403 HG2 ARG 50 HG2 ARG 50 0.823 -5.931 7.727 404 HG3 ARG 50 HG3 ARG 50 -0.934 -6.065 7.679 405 HD2 ARG 50 HD2 ARG 50 0.819 -7.468 9.693 406 HD3 ARG 50 HD3 ARG 50 0.027 -5.926 9.971 407 HE ARG 50 HE ARG 50 -2.093 -7.033 9.850 408 HH11 ARG 50 HH11 ARG 50 0.685 -9.188 10.043 409 HH12 ARG 50 HH12 ARG 50 -0.255 -10.546 10.541 410 HH21 ARG 50 HH21 ARG 50 -3.317 -8.836 10.531 411 HH22 ARG 50 HH22 ARG 50 -2.534 -10.349 10.820 412 H GLN 51 H GLN 51 1.735 -8.930 4.899 413 HA GLN 51 HA GLN 51 0.729 -11.634 4.815 414 HB2 GLN 51 HB2 GLN 51 1.186 -9.525 2.931 415 HB3 GLN 51 HB3 GLN 51 1.965 -10.993 2.361 416 HG2 GLN 51 HG2 GLN 51 -0.284 -10.801 1.483 417 HG3 GLN 51 HG3 GLN 51 -0.136 -12.201 2.542 418 HE21 GLN 51 HE21 GLN 51 -0.369 -8.944 3.765 419 HE22 GLN 51 HE22 GLN 51 -1.961 -9.103 4.422 420 H GLY 52 H GLY 52 3.813 -10.139 5.110 421 HA2 GLY 52 HA2 GLY 52 5.858 -11.132 5.512 422 HA3 GLY 52 HA3 GLY 52 5.075 -12.700 5.379 423 H LEU 53 H LEU 53 5.834 -9.950 3.268 424 HA LEU 53 HA LEU 53 7.126 -11.719 1.411 425 HB2 LEU 53 HB2 LEU 53 5.737 -10.857 -0.539 426 HB3 LEU 53 HB3 LEU 53 5.011 -12.078 0.476 427 HG LEU 53 HG LEU 53 3.796 -10.163 1.653 428 HD11 LEU 53 HD11 LEU 53 5.208 -8.355 0.834 429 HD12 LEU 53 HD12 LEU 53 3.514 -8.120 0.395 430 HD13 LEU 53 HD13 LEU 53 4.671 -8.688 -0.814 431 HD21 LEU 53 HD21 LEU 53 2.692 -11.699 0.122 432 HD22 LEU 53 HD22 LEU 53 3.209 -10.720 -1.251 433 HD23 LEU 53 HD23 LEU 53 2.069 -10.061 -0.078 434 H SER 54 H SER 54 7.770 -10.344 -0.629 435 HA SER 54 HA SER 54 9.098 -7.977 0.449 436 HB2 SER 54 HB2 SER 54 9.506 -9.548 -2.093 437 HB3 SER 54 HB3 SER 54 10.484 -8.167 -1.612 438 HG SER 54 HG SER 54 10.269 -10.709 -0.383 439 H MET 55 H MET 55 8.546 -5.947 -0.135 440 HA MET 55 HA MET 55 6.215 -5.433 -1.647 441 HB2 MET 55 HB2 MET 55 7.005 -2.999 -1.572 442 HB3 MET 55 HB3 MET 55 6.690 -3.792 -0.040 443 HG2 MET 55 HG2 MET 55 8.906 -3.844 0.551 444 HG3 MET 55 HG3 MET 55 9.467 -3.771 -1.123 445 HE1 MET 55 HE1 MET 55 7.662 -1.788 1.731 446 HE2 MET 55 HE2 MET 55 6.678 -1.373 0.330 447 HE3 MET 55 HE3 MET 55 7.674 -0.141 1.103 448 H ARG 56 H ARG 56 9.465 -5.847 -2.613 449 HA ARG 56 HA ARG 56 9.163 -4.462 -5.124 450 HB2 ARG 56 HB2 ARG 56 11.412 -5.251 -5.611 451 HB3 ARG 56 HB3 ARG 56 11.323 -4.540 -4.006 452 HG2 ARG 56 HG2 ARG 56 11.296 -6.728 -2.992 453 HG3 ARG 56 HG3 ARG 56 11.300 -7.488 -4.585 454 HD2 ARG 56 HD2 ARG 56 13.533 -7.487 -3.638 455 HD3 ARG 56 HD3 ARG 56 13.455 -6.453 -5.065 456 HE ARG 56 HE ARG 56 13.011 -4.959 -2.690 457 HH11 ARG 56 HH11 ARG 56 15.541 -6.434 -4.609 458 HH12 ARG 56 HH12 ARG 56 16.777 -5.365 -4.048 459 HH21 ARG 56 HH21 ARG 56 14.642 -3.542 -1.932 460 HH22 ARG 56 HH22 ARG 56 16.266 -3.717 -2.501 461 H GLN 57 H GLN 57 8.128 -7.395 -3.966 462 HA GLN 57 HA GLN 57 8.295 -8.711 -6.597 463 HB2 GLN 57 HB2 GLN 57 7.579 -9.897 -3.914 464 HB3 GLN 57 HB3 GLN 57 7.803 -10.782 -5.417 465 HG2 GLN 57 HG2 GLN 57 9.952 -9.155 -4.101 466 HG3 GLN 57 HG3 GLN 57 9.707 -10.881 -3.824 467 HE21 GLN 57 HE21 GLN 57 10.624 -8.444 -6.138 468 HE22 GLN 57 HE22 GLN 57 11.421 -9.501 -7.237 469 H ILE 58 H ILE 58 6.305 -6.677 -5.183 470 HA ILE 58 HA ILE 58 3.940 -7.949 -6.319 471 HB ILE 58 HB ILE 58 2.565 -7.034 -4.435 472 HG12 ILE 58 HG12 ILE 58 5.193 -6.832 -2.985 473 HG13 ILE 58 HG13 ILE 58 4.357 -5.443 -3.673 474 HG21 ILE 58 HG21 ILE 58 3.041 -8.848 -2.895 475 HG22 ILE 58 HG22 ILE 58 4.626 -9.075 -3.634 476 HG23 ILE 58 HG23 ILE 58 3.168 -9.403 -4.565 477 HD11 ILE 58 HD11 ILE 58 2.452 -5.853 -2.229 478 HD12 ILE 58 HD12 ILE 58 3.932 -5.685 -1.280 479 HD13 ILE 58 HD13 ILE 58 3.246 -7.284 -1.576 480 H ARG 59 H ARG 59 2.132 -6.297 -6.424 481 HA ARG 59 HA ARG 59 3.120 -3.592 -6.837 482 HB2 ARG 59 HB2 ARG 59 1.877 -5.308 -8.970 483 HB3 ARG 59 HB3 ARG 59 1.827 -3.553 -9.048 484 HG2 ARG 59 HG2 ARG 59 4.361 -5.149 -8.809 485 HG3 ARG 59 HG3 ARG 59 3.675 -4.598 -10.341 486 HD2 ARG 59 HD2 ARG 59 4.109 -2.642 -8.143 487 HD3 ARG 59 HD3 ARG 59 5.486 -3.163 -9.094 488 HE ARG 59 HE ARG 59 3.598 -2.465 -10.934 489 HH11 ARG 59 HH11 ARG 59 5.086 -0.840 -8.208 490 HH12 ARG 59 HH12 ARG 59 5.080 0.720 -8.959 491 HH21 ARG 59 HH21 ARG 59 3.565 -0.390 -11.937 492 HH22 ARG 59 HH22 ARG 59 4.195 0.978 -11.088 493 H PHE 60 H PHE 60 1.635 -2.010 -6.619 494 HA PHE 60 HA PHE 60 -0.976 -2.884 -5.578 495 HB2 PHE 60 HB2 PHE 60 0.651 -0.398 -4.894 496 HB3 PHE 60 HB3 PHE 60 -0.998 -0.669 -4.371 497 HD1 PHE 60 HD1 PHE 60 2.268 -2.474 -4.351 498 HD2 PHE 60 HD2 PHE 60 -1.284 -1.448 -2.251 499 HE1 PHE 60 HE1 PHE 60 3.114 -3.629 -2.357 500 HE2 PHE 60 HE2 PHE 60 -0.439 -2.606 -0.257 501 HZ PHE 60 HZ PHE 60 1.765 -3.704 -0.308 502 H ARG 61 H ARG 61 -2.801 -2.142 -6.502 503 HA ARG 61 HA ARG 61 -2.614 0.120 -8.371 504 HB2 ARG 61 HB2 ARG 61 -4.013 -0.976 -9.975 505 HB3 ARG 61 HB3 ARG 61 -2.616 -1.994 -9.642 506 HG2 ARG 61 HG2 ARG 61 -3.875 -3.654 -8.850 507 HG3 ARG 61 HG3 ARG 61 -4.845 -2.541 -7.902 508 HD2 ARG 61 HD2 ARG 61 -6.387 -2.315 -9.455 509 HD3 ARG 61 HD3 ARG 61 -5.285 -2.490 -10.819 510 HE ARG 61 HE ARG 61 -5.891 -4.837 -9.145 511 HH11 ARG 61 HH11 ARG 61 -6.340 -3.234 -12.242 512 HH12 ARG 61 HH12 ARG 61 -6.714 -4.702 -13.073 513 HH21 ARG 61 HH21 ARG 61 -6.368 -6.741 -10.226 514 HH22 ARG 61 HH22 ARG 61 -6.732 -6.720 -11.921 515 H PHE 62 H PHE 62 -4.334 1.461 -8.404 516 HA PHE 62 HA PHE 62 -6.681 0.729 -6.862 517 HB2 PHE 62 HB2 PHE 62 -5.289 1.929 -5.267 518 HB3 PHE 62 HB3 PHE 62 -5.015 3.222 -6.425 519 HD1 PHE 62 HD1 PHE 62 -7.543 1.628 -4.269 520 HD2 PHE 62 HD2 PHE 62 -6.556 4.994 -6.676 521 HE1 PHE 62 HE1 PHE 62 -9.483 2.835 -3.375 522 HE2 PHE 62 HE2 PHE 62 -8.500 6.209 -5.785 523 HZ PHE 62 HZ PHE 62 -9.968 5.127 -4.128 524 H ASP 63 H ASP 63 -8.523 1.621 -7.653 525 HA ASP 63 HA ASP 63 -9.949 2.488 -9.241 526 HB2 ASP 63 HB2 ASP 63 -8.442 4.557 -8.265 527 HB3 ASP 63 HB3 ASP 63 -8.187 4.707 -9.990 528 H GLY 64 H GLY 64 -7.940 0.570 -10.201 529 HA2 GLY 64 HA2 GLY 64 -7.471 -0.279 -12.268 530 HA3 GLY 64 HA3 GLY 64 -8.175 1.163 -12.968 531 H GLN 65 H GLN 65 -5.965 2.367 -10.872 532 HA GLN 65 HA GLN 65 -3.862 2.274 -12.933 533 HB2 GLN 65 HB2 GLN 65 -3.261 4.594 -12.253 534 HB3 GLN 65 HB3 GLN 65 -4.842 4.458 -13.004 535 HG2 GLN 65 HG2 GLN 65 -5.878 4.514 -10.782 536 HG3 GLN 65 HG3 GLN 65 -4.288 4.724 -10.056 537 HE21 GLN 65 HE21 GLN 65 -6.764 6.145 -11.975 538 HE22 GLN 65 HE22 GLN 65 -6.216 7.781 -11.857 539 HA PRO 66 HA PRO 66 -1.235 0.804 -9.714 540 HB2 PRO 66 HB2 PRO 66 1.161 1.275 -10.875 541 HB3 PRO 66 HB3 PRO 66 0.085 -0.015 -11.424 542 HG2 PRO 66 HG2 PRO 66 0.493 2.720 -12.573 543 HG3 PRO 66 HG3 PRO 66 0.348 1.164 -13.410 544 HD2 PRO 66 HD2 PRO 66 -1.721 2.924 -13.183 545 HD3 PRO 66 HD3 PRO 66 -1.950 1.164 -13.270 546 H ILE 67 H ILE 67 -0.033 1.611 -8.009 547 HA ILE 67 HA ILE 67 0.579 4.481 -8.100 548 HB ILE 67 HB ILE 67 -0.015 4.678 -5.688 549 HG12 ILE 67 HG12 ILE 67 -0.072 2.099 -5.370 550 HG13 ILE 67 HG13 ILE 67 -1.247 3.076 -4.500 551 HG21 ILE 67 HG21 ILE 67 -1.459 5.609 -7.358 552 HG22 ILE 67 HG22 ILE 67 -2.431 4.933 -6.052 553 HG23 ILE 67 HG23 ILE 67 -2.272 4.060 -7.576 554 HD11 ILE 67 HD11 ILE 67 -2.939 2.512 -6.153 555 HD12 ILE 67 HD12 ILE 67 -2.239 1.064 -5.432 556 HD13 ILE 67 HD13 ILE 67 -1.752 1.569 -7.048 557 H ASN 68 H ASN 68 2.404 5.087 -7.333 558 HA ASN 68 HA ASN 68 4.292 3.074 -6.479 559 HB2 ASN 68 HB2 ASN 68 5.743 5.339 -6.539 560 HB3 ASN 68 HB3 ASN 68 5.414 4.374 -7.972 561 HD21 ASN 68 HD21 ASN 68 4.609 7.257 -6.222 562 HD22 ASN 68 HD22 ASN 68 3.737 8.046 -7.487 563 H GLU 69 H GLU 69 5.638 3.399 -4.634 564 HA GLU 69 HA GLU 69 4.208 3.970 -2.289 565 HB2 GLU 69 HB2 GLU 69 6.544 3.886 -1.234 566 HB3 GLU 69 HB3 GLU 69 5.939 2.442 -2.037 567 HG2 GLU 69 HG2 GLU 69 7.294 2.794 -3.896 568 HG3 GLU 69 HG3 GLU 69 7.721 4.433 -3.400 569 H THR 70 H THR 70 5.954 6.029 -4.367 570 HA THR 70 HA THR 70 6.542 8.063 -2.437 571 HB THR 70 HB THR 70 7.209 9.386 -4.445 572 HG1 THR 70 HG1 THR 70 7.062 8.363 -6.459 573 HG21 THR 70 HG21 THR 70 8.774 7.828 -3.324 574 HG22 THR 70 HG22 THR 70 9.076 7.952 -5.060 575 HG23 THR 70 HG23 THR 70 8.225 6.549 -4.411 576 H ASP 71 H ASP 71 3.741 7.142 -4.035 577 HA ASP 71 HA ASP 71 2.623 9.829 -4.248 578 HB2 ASP 71 HB2 ASP 71 2.013 7.260 -5.414 579 HB3 ASP 71 HB3 ASP 71 0.570 7.935 -4.667 580 H THR 72 H THR 72 0.522 10.325 -3.216 581 HA THR 72 HA THR 72 0.311 9.043 -0.572 582 HB THR 72 HB THR 72 -0.667 11.272 0.151 583 HG1 THR 72 HG1 THR 72 0.662 12.674 -1.770 584 HG21 THR 72 HG21 THR 72 1.544 12.365 0.364 585 HG22 THR 72 HG22 THR 72 2.206 11.191 -0.777 586 HG23 THR 72 HG23 THR 72 1.587 10.653 0.786 587 HA PRO 73 HA PRO 73 -3.934 8.043 -1.444 588 HB2 PRO 73 HB2 PRO 73 -5.084 8.525 1.008 589 HB3 PRO 73 HB3 PRO 73 -4.171 7.067 0.611 590 HG2 PRO 73 HG2 PRO 73 -3.291 9.512 2.080 591 HG3 PRO 73 HG3 PRO 73 -2.921 7.810 2.409 592 HD2 PRO 73 HD2 PRO 73 -1.162 9.457 1.224 593 HD3 PRO 73 HD3 PRO 73 -1.264 7.734 0.812 594 H ALA 74 H ALA 74 -2.956 11.160 -0.502 595 HA ALA 74 HA ALA 74 -5.609 12.329 -0.874 596 HB1 ALA 74 HB1 ALA 74 -4.642 14.399 -0.101 597 HB2 ALA 74 HB2 ALA 74 -3.022 13.707 -0.181 598 HB3 ALA 74 HB3 ALA 74 -4.180 13.098 0.999 599 H GLN 75 H GLN 75 -2.752 11.673 -2.614 600 HA GLN 75 HA GLN 75 -2.782 13.865 -4.418 601 HB2 GLN 75 HB2 GLN 75 -0.928 12.086 -3.877 602 HB3 GLN 75 HB3 GLN 75 -1.698 11.185 -5.175 603 HG2 GLN 75 HG2 GLN 75 -0.062 12.311 -6.311 604 HG3 GLN 75 HG3 GLN 75 -1.432 13.402 -6.506 605 HE21 GLN 75 HE21 GLN 75 -1.155 14.217 -3.621 606 HE22 GLN 75 HE22 GLN 75 0.171 15.324 -3.609 607 H LEU 76 H LEU 76 -4.291 10.702 -4.405 608 HA LEU 76 HA LEU 76 -5.593 11.351 -6.946 609 HB2 LEU 76 HB2 LEU 76 -6.248 8.820 -6.845 610 HB3 LEU 76 HB3 LEU 76 -4.661 9.296 -7.394 611 HG LEU 76 HG LEU 76 -4.769 7.264 -5.892 612 HD11 LEU 76 HD11 LEU 76 -2.773 7.840 -4.617 613 HD12 LEU 76 HD12 LEU 76 -3.037 9.547 -4.965 614 HD13 LEU 76 HD13 LEU 76 -2.678 8.424 -6.277 615 HD21 LEU 76 HD21 LEU 76 -4.847 7.724 -3.449 616 HD22 LEU 76 HD22 LEU 76 -6.388 7.957 -4.273 617 HD23 LEU 76 HD23 LEU 76 -5.408 9.352 -3.821 618 H GLU 77 H GLU 77 -6.106 11.695 -3.835 619 HA GLU 77 HA GLU 77 -7.859 11.956 -2.445 620 HB2 GLU 77 HB2 GLU 77 -9.292 12.499 -5.042 621 HB3 GLU 77 HB3 GLU 77 -9.904 12.906 -3.446 622 HG2 GLU 77 HG2 GLU 77 -7.956 14.373 -3.107 623 HG3 GLU 77 HG3 GLU 77 -7.425 14.005 -4.746 624 H MET 78 H MET 78 -7.530 9.437 -2.360 625 HA MET 78 HA MET 78 -9.855 7.963 -3.216 626 HB2 MET 78 HB2 MET 78 -8.874 6.103 -1.847 627 HB3 MET 78 HB3 MET 78 -7.817 6.722 -3.107 628 HG2 MET 78 HG2 MET 78 -6.533 7.952 -1.498 629 HG3 MET 78 HG3 MET 78 -7.667 7.518 -0.219 630 HE1 MET 78 HE1 MET 78 -5.189 5.922 -2.904 631 HE2 MET 78 HE2 MET 78 -6.664 4.960 -2.995 632 HE3 MET 78 HE3 MET 78 -5.186 4.250 -2.345 633 H GLU 79 H GLU 79 -10.920 6.536 -1.394 634 HA GLU 79 HA GLU 79 -11.993 8.467 0.531 635 HB2 GLU 79 HB2 GLU 79 -13.053 5.819 -0.440 636 HB3 GLU 79 HB3 GLU 79 -13.847 6.836 0.755 637 HG2 GLU 79 HG2 GLU 79 -14.168 8.562 -0.852 638 HG3 GLU 79 HG3 GLU 79 -13.202 7.679 -2.035 639 H ASP 80 H ASP 80 -12.722 7.488 2.631 640 HA ASP 80 HA ASP 80 -10.533 6.043 3.799 641 HB2 ASP 80 HB2 ASP 80 -11.833 6.223 5.906 642 HB3 ASP 80 HB3 ASP 80 -11.536 7.789 5.150 643 H GLU 81 H GLU 81 -10.518 4.019 4.422 644 HA GLU 81 HA GLU 81 -11.039 1.875 4.710 645 HB2 GLU 81 HB2 GLU 81 -13.916 2.691 4.287 646 HB3 GLU 81 HB3 GLU 81 -13.380 1.097 4.799 647 HG2 GLU 81 HG2 GLU 81 -12.308 2.244 6.783 648 HG3 GLU 81 HG3 GLU 81 -13.180 3.687 6.289 649 H ASP 82 H ASP 82 -10.893 3.432 1.990 650 HA ASP 82 HA ASP 82 -12.107 1.715 0.096 651 HB2 ASP 82 HB2 ASP 82 -10.836 4.113 -0.087 652 HB3 ASP 82 HB3 ASP 82 -9.582 3.031 -0.674 653 H THR 83 H THR 83 -10.503 0.593 -1.588 654 HA THR 83 HA THR 83 -8.549 -0.950 -0.050 655 HB THR 83 HB THR 83 -10.443 -2.362 -1.913 656 HG1 THR 83 HG1 THR 83 -11.146 -1.132 0.312 657 HG21 THR 83 HG21 THR 83 -8.374 -3.506 -1.173 658 HG22 THR 83 HG22 THR 83 -9.827 -4.296 -0.557 659 HG23 THR 83 HG23 THR 83 -8.870 -3.262 0.504 660 H ILE 84 H ILE 84 -6.943 -1.986 -1.299 661 HA ILE 84 HA ILE 84 -6.630 -0.963 -4.040 662 HB ILE 84 HB ILE 84 -4.538 -1.208 -1.850 663 HG12 ILE 84 HG12 ILE 84 -4.055 1.199 -2.619 664 HG13 ILE 84 HG13 ILE 84 -5.595 1.110 -3.459 665 HG21 ILE 84 HG21 ILE 84 -2.865 -0.513 -3.546 666 HG22 ILE 84 HG22 ILE 84 -4.083 -0.794 -4.797 667 HG23 ILE 84 HG23 ILE 84 -3.520 -2.130 -3.797 668 HD11 ILE 84 HD11 ILE 84 -5.833 2.209 -1.322 669 HD12 ILE 84 HD12 ILE 84 -5.171 0.793 -0.501 670 HD13 ILE 84 HD13 ILE 84 -6.719 0.684 -1.339 671 H ASP 85 H ASP 85 -5.732 -2.446 -5.512 672 HA ASP 85 HA ASP 85 -5.927 -5.237 -4.649 673 HB2 ASP 85 HB2 ASP 85 -7.044 -4.348 -6.768 674 HB3 ASP 85 HB3 ASP 85 -5.402 -4.236 -7.421 675 H VAL 86 H VAL 86 -4.244 -6.620 -4.621 676 HA VAL 86 HA VAL 86 -1.654 -5.572 -5.468 677 HB VAL 86 HB VAL 86 -2.421 -6.925 -2.909 678 HG11 VAL 86 HG11 VAL 86 -0.767 -8.463 -3.894 679 HG12 VAL 86 HG12 VAL 86 -0.102 -7.605 -2.507 680 HG13 VAL 86 HG13 VAL 86 0.338 -7.111 -4.143 681 HG21 VAL 86 HG21 VAL 86 -0.451 -4.780 -3.646 682 HG22 VAL 86 HG22 VAL 86 -0.834 -5.316 -2.010 683 HG23 VAL 86 HG23 VAL 86 -2.069 -4.531 -2.995 684 H PHE 87 H PHE 87 -0.406 -6.857 -6.586 685 HA PHE 87 HA PHE 87 -1.164 -9.651 -6.914 686 HB2 PHE 87 HB2 PHE 87 -0.495 -9.328 -9.416 687 HB3 PHE 87 HB3 PHE 87 -2.132 -8.915 -8.885 688 HD1 PHE 87 HD1 PHE 87 -2.561 -6.422 -8.361 689 HD2 PHE 87 HD2 PHE 87 0.792 -7.826 -10.571 690 HE1 PHE 87 HE1 PHE 87 -2.272 -4.190 -9.332 691 HE2 PHE 87 HE2 PHE 87 1.080 -5.589 -11.555 692 HZ PHE 87 HZ PHE 87 -0.457 -3.767 -10.936 693 H GLN 88 H GLN 88 0.545 -11.032 -7.340 694 HA GLN 88 HA GLN 88 3.112 -9.806 -6.644 695 HB2 GLN 88 HB2 GLN 88 2.481 -12.754 -6.670 696 HB3 GLN 88 HB3 GLN 88 3.882 -11.971 -5.959 697 HG2 GLN 88 HG2 GLN 88 1.824 -10.768 -4.621 698 HG3 GLN 88 HG3 GLN 88 1.199 -12.392 -4.883 699 HE21 GLN 88 HE21 GLN 88 4.557 -11.409 -4.383 700 HE22 GLN 88 HE22 GLN 88 4.776 -12.309 -2.923 701 H GLN 89 H GLN 89 4.188 -9.219 -8.349 702 HA GLN 89 HA GLN 89 4.062 -10.219 -10.898 703 HB2 GLN 89 HB2 GLN 89 6.327 -8.882 -9.442 704 HB3 GLN 89 HB3 GLN 89 6.368 -9.233 -11.166 705 HG2 GLN 89 HG2 GLN 89 4.231 -7.589 -9.837 706 HG3 GLN 89 HG3 GLN 89 5.675 -6.903 -10.601 707 HE21 GLN 89 HE21 GLN 89 2.920 -6.470 -11.272 708 HE22 GLN 89 HE22 GLN 89 2.708 -7.005 -12.901 709 H GLN 90 H GLN 90 5.582 -11.460 -12.132 710 HA GLN 90 HA GLN 90 6.119 -13.943 -10.800 711 HB2 GLN 90 HB2 GLN 90 6.761 -14.756 -13.038 712 HB3 GLN 90 HB3 GLN 90 5.173 -14.008 -13.018 713 HG2 GLN 90 HG2 GLN 90 6.153 -11.954 -13.951 714 HG3 GLN 90 HG3 GLN 90 7.720 -12.761 -14.024 715 HE21 GLN 90 HE21 GLN 90 4.516 -12.586 -15.358 716 HE22 GLN 90 HE22 GLN 90 4.842 -13.516 -16.773 717 H THR 91 H THR 91 8.151 -15.075 -11.096 718 HA THR 91 HA THR 91 10.348 -13.381 -10.281 719 HB THR 91 HB THR 91 11.540 -15.658 -10.083 720 HG1 THR 91 HG1 THR 91 9.965 -17.413 -9.928 721 HG21 THR 91 HG21 THR 91 10.376 -16.187 -7.979 722 HG22 THR 91 HG22 THR 91 9.049 -15.127 -8.452 723 HG23 THR 91 HG23 THR 91 10.651 -14.453 -8.145 724 H GLY 92 H GLY 92 9.160 -14.620 -13.138 725 HA2 GLY 92 HA2 GLY 92 10.536 -13.538 -15.021 726 HA3 GLY 92 HA3 GLY 92 11.784 -14.634 -14.439 727 H GLY 93 H GLY 93 11.353 -15.105 -16.892 728 HA2 GLY 93 HA2 GLY 93 9.938 -17.629 -16.896 729 HA3 GLY 93 HA3 GLY 93 9.297 -16.406 -17.989 Start of MODEL 18 1 H MET 1 H MET 1 3.622 11.713 22.912 2 HA MET 1 HA MET 1 2.187 11.178 20.392 3 HB2 MET 1 HB2 MET 1 0.346 10.340 21.820 4 HB3 MET 1 HB3 MET 1 1.786 9.339 21.911 5 HG2 MET 1 HG2 MET 1 1.049 11.421 23.954 6 HG3 MET 1 HG3 MET 1 0.606 9.722 24.067 7 HE1 MET 1 HE1 MET 1 3.412 10.105 26.784 8 HE2 MET 1 HE2 MET 1 1.749 9.614 26.465 9 HE3 MET 1 HE3 MET 1 2.208 11.311 26.336 10 H ALA 2 H ALA 2 3.295 13.679 21.822 11 HA ALA 2 HA ALA 2 0.931 15.093 22.617 12 HB1 ALA 2 HB1 ALA 2 3.107 15.607 23.619 13 HB2 ALA 2 HB2 ALA 2 2.406 17.021 22.837 14 HB3 ALA 2 HB3 ALA 2 3.705 16.133 22.046 15 H ASP 3 H ASP 3 -0.501 15.230 20.964 16 HA ASP 3 HA ASP 3 0.370 16.173 18.364 17 HB2 ASP 3 HB2 ASP 3 -1.946 15.769 17.659 18 HB3 ASP 3 HB3 ASP 3 -1.286 14.357 18.477 19 H GLU 4 H GLU 4 -0.653 17.473 21.230 20 HA GLU 4 HA GLU 4 -1.733 19.897 19.992 21 HB2 GLU 4 HB2 GLU 4 -1.692 18.942 22.852 22 HB3 GLU 4 HB3 GLU 4 -2.199 20.561 22.396 23 HG2 GLU 4 HG2 GLU 4 -3.476 17.989 21.501 24 HG3 GLU 4 HG3 GLU 4 -4.107 19.100 22.717 25 H LYS 5 H LYS 5 1.068 19.195 19.794 26 HA LYS 5 HA LYS 5 2.581 20.778 21.586 27 HB2 LYS 5 HB2 LYS 5 3.690 19.010 20.384 28 HB3 LYS 5 HB3 LYS 5 3.293 19.744 18.837 29 HG2 LYS 5 HG2 LYS 5 4.725 21.632 19.326 30 HG3 LYS 5 HG3 LYS 5 5.064 20.985 20.930 31 HD2 LYS 5 HD2 LYS 5 6.201 19.091 19.982 32 HD3 LYS 5 HD3 LYS 5 5.731 19.577 18.350 33 HE2 LYS 5 HE2 LYS 5 8.057 20.183 18.845 34 HE3 LYS 5 HE3 LYS 5 7.050 21.599 18.547 35 HZ1 LYS 5 HZ1 LYS 5 7.861 20.597 21.224 36 HZ2 LYS 5 HZ2 LYS 5 6.900 21.957 20.933 37 HZ3 LYS 5 HZ3 LYS 5 8.506 21.942 20.434 38 HA PRO 6 HA PRO 6 2.450 24.212 18.227 39 HB2 PRO 6 HB2 PRO 6 0.117 23.783 16.574 40 HB3 PRO 6 HB3 PRO 6 1.796 23.971 16.077 41 HG2 PRO 6 HG2 PRO 6 0.406 21.632 15.875 42 HG3 PRO 6 HG3 PRO 6 2.170 21.722 16.026 43 HD2 PRO 6 HD2 PRO 6 0.112 21.072 18.086 44 HD3 PRO 6 HD3 PRO 6 1.744 20.409 17.869 45 H LYS 7 H LYS 7 1.538 26.087 18.762 46 HA LYS 7 HA LYS 7 -0.980 26.015 20.268 47 HB2 LYS 7 HB2 LYS 7 1.236 28.066 20.187 48 HB3 LYS 7 HB3 LYS 7 -0.230 28.208 21.142 49 HG2 LYS 7 HG2 LYS 7 0.386 26.333 22.488 50 HG3 LYS 7 HG3 LYS 7 1.770 25.989 21.446 51 HD2 LYS 7 HD2 LYS 7 2.428 27.148 23.529 52 HD3 LYS 7 HD3 LYS 7 2.813 28.087 22.086 53 HE2 LYS 7 HE2 LYS 7 0.746 29.396 22.428 54 HE3 LYS 7 HE3 LYS 7 0.441 28.490 23.909 55 HZ1 LYS 7 HZ1 LYS 7 2.448 29.372 24.855 56 HZ2 LYS 7 HZ2 LYS 7 1.506 30.657 24.290 57 HZ3 LYS 7 HZ3 LYS 7 2.851 30.144 23.411 58 H GLU 8 H GLU 8 -0.593 26.088 17.316 59 HA GLU 8 HA GLU 8 -1.170 28.690 16.359 60 HB2 GLU 8 HB2 GLU 8 -1.715 26.038 15.026 61 HB3 GLU 8 HB3 GLU 8 -1.647 27.607 14.236 62 HG2 GLU 8 HG2 GLU 8 0.612 26.115 15.531 63 HG3 GLU 8 HG3 GLU 8 0.396 26.466 13.816 64 H GLY 9 H GLY 9 -3.017 29.766 16.202 65 HA2 GLY 9 HA2 GLY 9 -5.396 28.585 17.335 66 HA3 GLY 9 HA3 GLY 9 -5.186 30.262 16.851 67 H VAL 10 H VAL 10 -5.101 27.098 15.253 68 HA VAL 10 HA VAL 10 -6.697 28.247 13.074 69 HB VAL 10 HB VAL 10 -5.206 25.612 13.016 70 HG11 VAL 10 HG11 VAL 10 -6.972 25.888 11.338 71 HG12 VAL 10 HG12 VAL 10 -5.373 25.843 10.597 72 HG13 VAL 10 HG13 VAL 10 -6.211 27.383 10.789 73 HG21 VAL 10 HG21 VAL 10 -3.602 27.404 13.447 74 HG22 VAL 10 HG22 VAL 10 -4.222 28.299 12.059 75 HG23 VAL 10 HG23 VAL 10 -3.406 26.756 11.818 76 H LYS 11 H LYS 11 -8.502 27.045 12.269 77 HA LYS 11 HA LYS 11 -9.608 25.114 14.180 78 HB2 LYS 11 HB2 LYS 11 -10.790 27.084 14.673 79 HB3 LYS 11 HB3 LYS 11 -10.861 27.575 12.991 80 HG2 LYS 11 HG2 LYS 11 -13.039 26.893 13.811 81 HG3 LYS 11 HG3 LYS 11 -12.475 25.809 12.539 82 HD2 LYS 11 HD2 LYS 11 -11.632 24.308 14.398 83 HD3 LYS 11 HD3 LYS 11 -12.575 25.315 15.501 84 HE2 LYS 11 HE2 LYS 11 -14.594 24.815 14.249 85 HE3 LYS 11 HE3 LYS 11 -13.654 23.868 13.097 86 HZ1 LYS 11 HZ1 LYS 11 -13.089 22.336 14.862 87 HZ2 LYS 11 HZ2 LYS 11 -14.767 22.466 14.726 88 HZ3 LYS 11 HZ3 LYS 11 -13.959 23.253 15.985 89 H THR 12 H THR 12 -9.380 26.241 10.885 90 HA THR 12 HA THR 12 -11.149 24.186 9.860 91 HB THR 12 HB THR 12 -10.987 26.518 8.987 92 HG1 THR 12 HG1 THR 12 -10.553 24.524 6.991 93 HG21 THR 12 HG21 THR 12 -9.276 27.008 7.284 94 HG22 THR 12 HG22 THR 12 -8.495 25.471 7.644 95 HG23 THR 12 HG23 THR 12 -8.552 26.734 8.869 96 H GLU 13 H GLU 13 -8.571 23.609 11.170 97 HA GLU 13 HA GLU 13 -6.641 22.678 9.378 98 HB2 GLU 13 HB2 GLU 13 -7.293 22.110 12.213 99 HB3 GLU 13 HB3 GLU 13 -6.194 21.017 11.383 100 HG2 GLU 13 HG2 GLU 13 -5.853 23.989 11.526 101 HG3 GLU 13 HG3 GLU 13 -5.068 22.840 12.618 102 H ASN 14 H ASN 14 -8.746 20.502 11.271 103 HA ASN 14 HA ASN 14 -9.637 18.532 10.846 104 HB2 ASN 14 HB2 ASN 14 -10.215 20.113 8.617 105 HB3 ASN 14 HB3 ASN 14 -9.796 18.507 8.012 106 HD21 ASN 14 HD21 ASN 14 -10.839 16.705 9.005 107 HD22 ASN 14 HD22 ASN 14 -12.436 16.907 9.620 108 H ASN 15 H ASN 15 -6.731 18.932 10.672 109 HA ASN 15 HA ASN 15 -5.768 17.058 8.784 110 HB2 ASN 15 HB2 ASN 15 -3.625 17.132 9.962 111 HB3 ASN 15 HB3 ASN 15 -4.250 18.758 9.732 112 HD21 ASN 15 HD21 ASN 15 -4.761 19.980 11.495 113 HD22 ASN 15 HD22 ASN 15 -4.444 19.471 13.114 114 H ASP 16 H ASP 16 -5.957 14.958 8.815 115 HA ASP 16 HA ASP 16 -5.714 13.434 11.189 116 HB2 ASP 16 HB2 ASP 16 -7.924 12.359 11.182 117 HB3 ASP 16 HB3 ASP 16 -8.066 14.082 11.481 118 H HIS 17 H HIS 17 -6.681 11.048 10.440 119 HA HIS 17 HA HIS 17 -5.526 10.612 7.801 120 HB2 HIS 17 HB2 HIS 17 -4.259 8.699 8.599 121 HB3 HIS 17 HB3 HIS 17 -3.749 10.179 9.403 122 HD1 HIS 17 HD1 HIS 17 -4.512 10.423 11.959 123 HD2 HIS 17 HD2 HIS 17 -5.046 6.704 10.223 124 HE1 HIS 17 HE1 HIS 17 -4.907 8.847 13.874 125 HE2 HIS 17 HE2 HIS 17 -5.573 6.707 12.773 126 H ILE 18 H ILE 18 -6.114 8.604 6.815 127 HA ILE 18 HA ILE 18 -8.756 7.741 7.756 128 HB ILE 18 HB ILE 18 -9.272 7.193 5.410 129 HG12 ILE 18 HG12 ILE 18 -6.738 8.723 4.737 130 HG13 ILE 18 HG13 ILE 18 -6.876 6.967 4.669 131 HG21 ILE 18 HG21 ILE 18 -9.559 9.544 4.655 132 HG22 ILE 18 HG22 ILE 18 -8.512 10.056 5.980 133 HG23 ILE 18 HG23 ILE 18 -10.057 9.278 6.327 134 HD11 ILE 18 HD11 ILE 18 -8.613 7.202 2.953 135 HD12 ILE 18 HD12 ILE 18 -7.085 7.940 2.475 136 HD13 ILE 18 HD13 ILE 18 -8.421 8.956 3.022 137 H ASN 19 H ASN 19 -9.379 5.572 6.835 138 HA ASN 19 HA ASN 19 -7.214 3.701 7.405 139 HB2 ASN 19 HB2 ASN 19 -10.176 3.149 7.130 140 HB3 ASN 19 HB3 ASN 19 -8.957 2.059 7.779 141 HD21 ASN 19 HD21 ASN 19 -10.957 4.822 8.381 142 HD22 ASN 19 HD22 ASN 19 -10.623 4.958 10.062 143 H LEU 20 H LEU 20 -6.609 2.177 5.941 144 HA LEU 20 HA LEU 20 -7.980 2.132 3.329 145 HB2 LEU 20 HB2 LEU 20 -5.158 2.751 3.919 146 HB3 LEU 20 HB3 LEU 20 -5.393 1.565 2.653 147 HG LEU 20 HG LEU 20 -5.170 3.686 1.604 148 HD11 LEU 20 HD11 LEU 20 -6.911 2.202 0.700 149 HD12 LEU 20 HD12 LEU 20 -7.214 3.909 0.391 150 HD13 LEU 20 HD13 LEU 20 -8.114 3.074 1.654 151 HD21 LEU 20 HD21 LEU 20 -6.600 5.596 2.122 152 HD22 LEU 20 HD22 LEU 20 -5.620 5.114 3.505 153 HD23 LEU 20 HD23 LEU 20 -7.331 4.685 3.444 154 H LYS 21 H LYS 21 -7.528 0.179 2.098 155 HA LYS 21 HA LYS 21 -6.742 -2.104 3.761 156 HB2 LYS 21 HB2 LYS 21 -9.172 -1.874 2.011 157 HB3 LYS 21 HB3 LYS 21 -8.584 -3.394 2.668 158 HG2 LYS 21 HG2 LYS 21 -9.026 -2.696 4.881 159 HG3 LYS 21 HG3 LYS 21 -9.368 -1.047 4.355 160 HD2 LYS 21 HD2 LYS 21 -11.446 -2.235 4.825 161 HD3 LYS 21 HD3 LYS 21 -11.319 -1.865 3.105 162 HE2 LYS 21 HE2 LYS 21 -10.576 -4.148 2.661 163 HE3 LYS 21 HE3 LYS 21 -10.661 -4.520 4.384 164 HZ1 LYS 21 HZ1 LYS 21 -12.608 -5.282 3.089 165 HZ2 LYS 21 HZ2 LYS 21 -12.995 -3.675 2.746 166 HZ3 LYS 21 HZ3 LYS 21 -13.019 -4.226 4.338 167 H VAL 22 H VAL 22 -5.806 -3.780 2.642 168 HA VAL 22 HA VAL 22 -5.366 -3.335 -0.231 169 HB VAL 22 HB VAL 22 -3.255 -4.245 1.743 170 HG11 VAL 22 HG11 VAL 22 -1.785 -4.425 -0.187 171 HG12 VAL 22 HG12 VAL 22 -3.137 -4.046 -1.252 172 HG13 VAL 22 HG13 VAL 22 -3.147 -5.537 -0.309 173 HG21 VAL 22 HG21 VAL 22 -2.058 -2.266 1.083 174 HG22 VAL 22 HG22 VAL 22 -3.683 -1.783 1.572 175 HG23 VAL 22 HG23 VAL 22 -3.272 -1.888 -0.136 176 H ALA 23 H ALA 23 -6.154 -4.901 -1.327 177 HA ALA 23 HA ALA 23 -6.627 -7.492 -0.078 178 HB1 ALA 23 HB1 ALA 23 -8.028 -7.966 -2.006 179 HB2 ALA 23 HB2 ALA 23 -7.532 -6.446 -2.757 180 HB3 ALA 23 HB3 ALA 23 -8.480 -6.426 -1.269 181 H GLY 24 H GLY 24 -5.336 -9.106 -0.385 182 HA2 GLY 24 HA2 GLY 24 -3.184 -8.851 -2.310 183 HA3 GLY 24 HA3 GLY 24 -3.315 -10.075 -1.052 184 H GLN 25 H GLN 25 -2.682 -10.602 -3.763 185 HA GLN 25 HA GLN 25 -4.936 -11.509 -5.204 186 HB2 GLN 25 HB2 GLN 25 -3.297 -12.766 -6.586 187 HB3 GLN 25 HB3 GLN 25 -2.890 -11.071 -6.389 188 HG2 GLN 25 HG2 GLN 25 -0.858 -12.131 -6.135 189 HG3 GLN 25 HG3 GLN 25 -1.375 -11.886 -4.469 190 HE21 GLN 25 HE21 GLN 25 -0.224 -13.562 -3.614 191 HE22 GLN 25 HE22 GLN 25 -0.565 -15.223 -3.955 192 H ASP 26 H ASP 26 -3.491 -12.725 -2.445 193 HA ASP 26 HA ASP 26 -4.059 -15.508 -2.864 194 HB2 ASP 26 HB2 ASP 26 -2.242 -14.827 -1.368 195 HB3 ASP 26 HB3 ASP 26 -3.390 -13.985 -0.334 196 H GLY 27 H GLY 27 -5.868 -12.765 -1.988 197 HA2 GLY 27 HA2 GLY 27 -8.264 -12.917 -1.956 198 HA3 GLY 27 HA3 GLY 27 -8.120 -14.524 -1.267 199 H SER 28 H SER 28 -6.020 -12.329 0.170 200 HA SER 28 HA SER 28 -7.872 -12.012 2.426 201 HB2 SER 28 HB2 SER 28 -5.854 -13.393 2.905 202 HB3 SER 28 HB3 SER 28 -4.847 -12.000 2.508 203 HG SER 28 HG SER 28 -5.060 -11.649 4.587 204 H VAL 29 H VAL 29 -7.611 -10.045 3.661 205 HA VAL 29 HA VAL 29 -6.470 -7.862 2.111 206 HB VAL 29 HB VAL 29 -8.904 -8.036 1.567 207 HG11 VAL 29 HG11 VAL 29 -9.248 -7.321 4.472 208 HG12 VAL 29 HG12 VAL 29 -9.779 -8.807 3.679 209 HG13 VAL 29 HG13 VAL 29 -10.536 -7.266 3.266 210 HG21 VAL 29 HG21 VAL 29 -8.088 -5.518 3.014 211 HG22 VAL 29 HG22 VAL 29 -9.397 -5.653 1.840 212 HG23 VAL 29 HG23 VAL 29 -7.730 -5.914 1.334 213 H VAL 30 H VAL 30 -5.517 -6.332 3.321 214 HA VAL 30 HA VAL 30 -5.626 -6.661 6.229 215 HB VAL 30 HB VAL 30 -3.592 -5.235 4.488 216 HG11 VAL 30 HG11 VAL 30 -3.868 -4.190 6.716 217 HG12 VAL 30 HG12 VAL 30 -2.277 -4.912 6.488 218 HG13 VAL 30 HG13 VAL 30 -3.491 -5.742 7.463 219 HG21 VAL 30 HG21 VAL 30 -3.490 -7.660 4.297 220 HG22 VAL 30 HG22 VAL 30 -3.395 -7.802 6.051 221 HG23 VAL 30 HG23 VAL 30 -2.082 -7.036 5.155 222 H GLN 31 H GLN 31 -6.293 -5.006 7.558 223 HA GLN 31 HA GLN 31 -7.202 -2.550 6.237 224 HB2 GLN 31 HB2 GLN 31 -8.110 -3.530 8.910 225 HB3 GLN 31 HB3 GLN 31 -8.910 -2.404 7.826 226 HG2 GLN 31 HG2 GLN 31 -9.235 -4.284 6.224 227 HG3 GLN 31 HG3 GLN 31 -8.624 -5.370 7.467 228 HE21 GLN 31 HE21 GLN 31 -11.196 -3.283 6.520 229 HE22 GLN 31 HE22 GLN 31 -12.350 -3.877 7.645 230 H PHE 32 H PHE 32 -6.157 -0.786 6.785 231 HA PHE 32 HA PHE 32 -4.709 -0.601 9.308 232 HB2 PHE 32 HB2 PHE 32 -2.622 0.082 8.121 233 HB3 PHE 32 HB3 PHE 32 -3.033 -1.623 7.924 234 HD1 PHE 32 HD1 PHE 32 -4.333 -2.247 5.788 235 HD2 PHE 32 HD2 PHE 32 -2.188 1.396 6.247 236 HE1 PHE 32 HE1 PHE 32 -4.294 -1.977 3.362 237 HE2 PHE 32 HE2 PHE 32 -2.140 1.673 3.827 238 HZ PHE 32 HZ PHE 32 -3.188 -0.008 2.371 239 H LYS 33 H LYS 33 -3.619 1.565 9.479 240 HA LYS 33 HA LYS 33 -5.405 3.583 8.291 241 HB2 LYS 33 HB2 LYS 33 -3.901 3.883 10.880 242 HB3 LYS 33 HB3 LYS 33 -5.222 4.870 10.272 243 HG2 LYS 33 HG2 LYS 33 -6.670 2.817 10.419 244 HG3 LYS 33 HG3 LYS 33 -5.351 2.059 11.300 245 HD2 LYS 33 HD2 LYS 33 -6.719 4.623 12.121 246 HD3 LYS 33 HD3 LYS 33 -7.051 3.033 12.807 247 HE2 LYS 33 HE2 LYS 33 -4.408 4.477 12.882 248 HE3 LYS 33 HE3 LYS 33 -5.535 4.327 14.223 249 HZ1 LYS 33 HZ1 LYS 33 -3.822 2.700 14.463 250 HZ2 LYS 33 HZ2 LYS 33 -4.047 2.125 12.898 251 HZ3 LYS 33 HZ3 LYS 33 -5.248 1.883 14.065 252 H ILE 34 H ILE 34 -4.551 5.399 7.345 253 HA ILE 34 HA ILE 34 -1.691 5.911 7.563 254 HB ILE 34 HB ILE 34 -1.805 4.412 5.639 255 HG12 ILE 34 HG12 ILE 34 -1.448 7.264 4.691 256 HG13 ILE 34 HG13 ILE 34 -0.233 6.344 5.571 257 HG21 ILE 34 HG21 ILE 34 -4.130 4.710 5.040 258 HG22 ILE 34 HG22 ILE 34 -3.100 4.984 3.634 259 HG23 ILE 34 HG23 ILE 34 -3.803 6.354 4.495 260 HD11 ILE 34 HD11 ILE 34 -1.346 5.625 2.867 261 HD12 ILE 34 HD12 ILE 34 -0.078 4.765 3.745 262 HD13 ILE 34 HD13 ILE 34 0.206 6.406 3.173 263 H LYS 35 H LYS 35 -1.118 8.076 7.084 264 HA LYS 35 HA LYS 35 -3.324 9.917 7.371 265 HB2 LYS 35 HB2 LYS 35 -0.432 10.651 7.039 266 HB3 LYS 35 HB3 LYS 35 -1.715 11.610 7.769 267 HG2 LYS 35 HG2 LYS 35 -1.839 9.580 9.428 268 HG3 LYS 35 HG3 LYS 35 -0.189 9.320 8.881 269 HD2 LYS 35 HD2 LYS 35 -1.240 11.893 10.076 270 HD3 LYS 35 HD3 LYS 35 -0.218 10.716 10.901 271 HE2 LYS 35 HE2 LYS 35 1.552 11.108 9.247 272 HE3 LYS 35 HE3 LYS 35 0.527 12.286 8.432 273 HZ1 LYS 35 HZ1 LYS 35 2.137 13.346 9.885 274 HZ2 LYS 35 HZ2 LYS 35 1.532 12.504 11.216 275 HZ3 LYS 35 HZ3 LYS 35 0.567 13.649 10.431 276 H ARG 36 H ARG 36 -3.583 11.784 6.070 277 HA ARG 36 HA ARG 36 -3.796 11.147 3.336 278 HB2 ARG 36 HB2 ARG 36 -3.915 13.935 4.486 279 HB3 ARG 36 HB3 ARG 36 -4.708 13.336 3.041 280 HG2 ARG 36 HG2 ARG 36 -5.402 12.780 5.908 281 HG3 ARG 36 HG3 ARG 36 -6.391 13.544 4.665 282 HD2 ARG 36 HD2 ARG 36 -5.544 10.650 4.780 283 HD3 ARG 36 HD3 ARG 36 -7.160 11.270 5.088 284 HE ARG 36 HE ARG 36 -5.834 11.001 2.496 285 HH11 ARG 36 HH11 ARG 36 -8.691 12.042 4.275 286 HH12 ARG 36 HH12 ARG 36 -9.718 12.005 2.880 287 HH21 ARG 36 HH21 ARG 36 -7.226 10.976 0.637 288 HH22 ARG 36 HH22 ARG 36 -8.889 11.409 0.829 289 H HIS 37 H HIS 37 -1.466 13.059 5.159 290 HA HIS 37 HA HIS 37 -0.040 13.837 2.739 291 HB2 HIS 37 HB2 HIS 37 -0.431 15.427 4.664 292 HB3 HIS 37 HB3 HIS 37 0.653 14.433 5.628 293 HD1 HIS 37 HD1 HIS 37 3.063 15.078 5.549 294 HD2 HIS 37 HD2 HIS 37 0.941 16.587 2.314 295 HE1 HIS 37 HE1 HIS 37 4.665 16.561 4.324 296 HE2 HIS 37 HE2 HIS 37 3.422 17.277 2.260 297 H THR 38 H THR 38 -0.201 11.089 4.317 298 HA THR 38 HA THR 38 2.639 10.590 4.592 299 HB THR 38 HB THR 38 0.201 9.019 5.450 300 HG1 THR 38 HG1 THR 38 1.996 10.733 6.595 301 HG21 THR 38 HG21 THR 38 1.742 7.341 6.359 302 HG22 THR 38 HG22 THR 38 3.110 8.200 5.643 303 HG23 THR 38 HG23 THR 38 1.901 7.450 4.604 304 HA PRO 39 HA PRO 39 2.795 8.807 0.526 305 HB2 PRO 39 HB2 PRO 39 5.161 7.485 0.840 306 HB3 PRO 39 HB3 PRO 39 5.047 9.220 0.517 307 HG2 PRO 39 HG2 PRO 39 5.467 7.784 3.106 308 HG3 PRO 39 HG3 PRO 39 6.247 9.258 2.508 309 HD2 PRO 39 HD2 PRO 39 4.258 9.325 4.312 310 HD3 PRO 39 HD3 PRO 39 4.448 10.590 3.085 311 H LEU 40 H LEU 40 2.492 6.844 -0.511 312 HA LEU 40 HA LEU 40 1.248 4.772 0.899 313 HB2 LEU 40 HB2 LEU 40 2.354 4.891 -1.896 314 HB3 LEU 40 HB3 LEU 40 1.373 3.572 -1.294 315 HG LEU 40 HG LEU 40 0.446 6.427 -1.425 316 HD11 LEU 40 HD11 LEU 40 0.893 5.636 -3.666 317 HD12 LEU 40 HD12 LEU 40 -0.847 5.736 -3.390 318 HD13 LEU 40 HD13 LEU 40 -0.035 4.171 -3.353 319 HD21 LEU 40 HD21 LEU 40 -0.712 5.026 0.212 320 HD22 LEU 40 HD22 LEU 40 -1.081 3.868 -1.071 321 HD23 LEU 40 HD23 LEU 40 -1.764 5.491 -1.125 322 H SER 41 H SER 41 4.535 5.424 0.514 323 HA SER 41 HA SER 41 5.758 2.977 0.234 324 HB2 SER 41 HB2 SER 41 7.575 3.983 1.698 325 HB3 SER 41 HB3 SER 41 7.104 4.945 0.297 326 HG SER 41 HG SER 41 7.105 6.355 1.951 327 HH31 ALY 42 HH31 ALY 42 -1.247 1.610 9.605 328 HH32 ALY 42 HH32 ALY 42 -0.101 0.680 10.595 329 HH33 ALY 42 HH33 ALY 42 -0.227 0.395 8.847 330 HZ ALY 42 HZ ALY 42 -0.140 2.847 7.766 331 HE3 ALY 42 HE3 ALY 42 1.846 4.568 8.200 332 HE2 ALY 42 HE2 ALY 42 2.739 3.089 7.856 333 HD3 ALY 42 HD3 ALY 42 1.547 2.917 5.692 334 HD2 ALY 42 HD2 ALY 42 0.739 4.443 6.047 335 HG3 ALY 42 HG3 ALY 42 2.631 4.804 4.547 336 HG2 ALY 42 HG2 ALY 42 2.930 5.575 6.099 337 HB3 ALY 42 HB3 ALY 42 4.947 4.573 5.705 338 HB2 ALY 42 HB2 ALY 42 4.149 3.336 6.647 339 HCA ALY 42 HCA ALY 42 5.257 2.235 4.850 340 H ALY 42 H ALY 42 4.547 4.464 3.242 341 H LEU 43 H LEU 43 2.378 3.181 3.098 342 HA LEU 43 HA LEU 43 0.577 1.298 4.126 343 HB2 LEU 43 HB2 LEU 43 -0.339 3.014 2.789 344 HB3 LEU 43 HB3 LEU 43 0.790 2.726 1.485 345 HG LEU 43 HG LEU 43 -1.226 0.607 2.139 346 HD11 LEU 43 HD11 LEU 43 -1.768 3.127 0.587 347 HD12 LEU 43 HD12 LEU 43 -2.591 2.590 2.051 348 HD13 LEU 43 HD13 LEU 43 -2.778 1.687 0.543 349 HD21 LEU 43 HD21 LEU 43 -1.103 0.261 -0.298 350 HD22 LEU 43 HD22 LEU 43 0.481 0.138 0.471 351 HD23 LEU 43 HD23 LEU 43 0.037 1.611 -0.417 352 H MET 44 H MET 44 2.735 1.108 1.331 353 HA MET 44 HA MET 44 2.112 -1.522 0.593 354 HB2 MET 44 HB2 MET 44 4.475 0.265 0.133 355 HB3 MET 44 HB3 MET 44 4.533 -1.418 -0.367 356 HG2 MET 44 HG2 MET 44 2.885 -1.152 -1.939 357 HG3 MET 44 HG3 MET 44 2.258 0.329 -1.239 358 HE1 MET 44 HE1 MET 44 2.179 1.567 -3.522 359 HE2 MET 44 HE2 MET 44 2.691 0.086 -4.331 360 HE3 MET 44 HE3 MET 44 3.506 1.608 -4.681 361 H LYS 45 H LYS 45 4.636 -0.225 2.711 362 HA LYS 45 HA LYS 45 5.799 -2.719 3.286 363 HB2 LYS 45 HB2 LYS 45 6.982 -0.611 3.685 364 HB3 LYS 45 HB3 LYS 45 5.818 -0.177 4.926 365 HG2 LYS 45 HG2 LYS 45 7.968 -1.000 5.821 366 HG3 LYS 45 HG3 LYS 45 6.583 -1.954 6.358 367 HD2 LYS 45 HD2 LYS 45 8.341 -3.474 5.794 368 HD3 LYS 45 HD3 LYS 45 7.131 -3.581 4.517 369 HE2 LYS 45 HE2 LYS 45 9.287 -3.542 3.482 370 HE3 LYS 45 HE3 LYS 45 8.519 -1.987 3.184 371 HZ1 LYS 45 HZ1 LYS 45 10.808 -1.686 3.799 372 HZ2 LYS 45 HZ2 LYS 45 10.588 -2.558 5.225 373 HZ3 LYS 45 HZ3 LYS 45 9.826 -1.065 5.030 374 H ALA 46 H ALA 46 3.168 -0.931 4.816 375 HA ALA 46 HA ALA 46 2.872 -2.477 7.133 376 HB1 ALA 46 HB1 ALA 46 1.691 -0.350 6.757 377 HB2 ALA 46 HB2 ALA 46 0.586 -1.642 7.226 378 HB3 ALA 46 HB3 ALA 46 0.687 -1.136 5.538 379 H TYR 47 H TYR 47 1.292 -2.828 3.963 380 HA TYR 47 HA TYR 47 -0.092 -5.183 4.593 381 HB2 TYR 47 HB2 TYR 47 -0.829 -4.039 2.666 382 HB3 TYR 47 HB3 TYR 47 0.786 -3.989 1.966 383 HD1 TYR 47 HD1 TYR 47 -2.094 -6.178 2.708 384 HD2 TYR 47 HD2 TYR 47 1.622 -5.813 0.673 385 HE1 TYR 47 HE1 TYR 47 -2.575 -8.250 1.479 386 HE2 TYR 47 HE2 TYR 47 1.151 -7.879 -0.573 387 HH TYR 47 HH TYR 47 -0.212 -9.910 -0.318 388 H CYS 48 H CYS 48 3.094 -4.619 3.195 389 HA CYS 48 HA CYS 48 3.669 -7.320 2.597 390 HB2 CYS 48 HB2 CYS 48 5.567 -5.029 3.112 391 HB3 CYS 48 HB3 CYS 48 6.019 -6.584 2.416 392 HG CYS 48 HG CYS 48 3.987 -4.226 1.031 393 H GLU 49 H GLU 49 4.120 -5.402 5.493 394 HA GLU 49 HA GLU 49 5.716 -7.236 6.937 395 HB2 GLU 49 HB2 GLU 49 3.779 -5.100 7.816 396 HB3 GLU 49 HB3 GLU 49 4.754 -6.028 8.946 397 HG2 GLU 49 HG2 GLU 49 6.128 -4.651 6.714 398 HG3 GLU 49 HG3 GLU 49 5.513 -3.674 8.041 399 H ARG 50 H ARG 50 2.235 -6.790 6.646 400 HA ARG 50 HA ARG 50 1.451 -8.699 8.578 401 HB2 ARG 50 HB2 ARG 50 -0.031 -7.712 6.142 402 HB3 ARG 50 HB3 ARG 50 -0.748 -8.603 7.476 403 HG2 ARG 50 HG2 ARG 50 0.591 -5.930 7.737 404 HG3 ARG 50 HG3 ARG 50 -1.149 -6.174 7.566 405 HD2 ARG 50 HD2 ARG 50 0.546 -7.316 9.778 406 HD3 ARG 50 HD3 ARG 50 -0.417 -5.849 9.899 407 HE ARG 50 HE ARG 50 -1.680 -8.429 9.248 408 HH11 ARG 50 HH11 ARG 50 -1.433 -5.609 11.334 409 HH12 ARG 50 HH12 ARG 50 -2.818 -6.023 12.274 410 HH21 ARG 50 HH21 ARG 50 -3.505 -8.984 10.504 411 HH22 ARG 50 HH22 ARG 50 -4.010 -7.953 11.802 412 H GLN 51 H GLN 51 1.913 -8.932 5.089 413 HA GLN 51 HA GLN 51 1.179 -11.741 5.122 414 HB2 GLN 51 HB2 GLN 51 1.512 -9.686 3.077 415 HB3 GLN 51 HB3 GLN 51 2.186 -11.237 2.604 416 HG2 GLN 51 HG2 GLN 51 -0.102 -11.022 1.836 417 HG3 GLN 51 HG3 GLN 51 0.043 -12.320 3.013 418 HE21 GLN 51 HE21 GLN 51 -0.056 -8.911 3.862 419 HE22 GLN 51 HE22 GLN 51 -1.603 -8.968 4.629 420 H GLY 52 H GLY 52 4.060 -9.868 5.304 421 HA2 GLY 52 HA2 GLY 52 6.162 -10.641 5.901 422 HA3 GLY 52 HA3 GLY 52 5.607 -12.288 5.649 423 H LEU 53 H LEU 53 4.806 -10.486 2.970 424 HA LEU 53 HA LEU 53 6.991 -11.643 1.465 425 HB2 LEU 53 HB2 LEU 53 5.632 -10.849 -0.520 426 HB3 LEU 53 HB3 LEU 53 4.916 -12.088 0.486 427 HG LEU 53 HG LEU 53 3.590 -10.229 1.607 428 HD11 LEU 53 HD11 LEU 53 4.959 -8.359 0.884 429 HD12 LEU 53 HD12 LEU 53 3.285 -8.177 0.359 430 HD13 LEU 53 HD13 LEU 53 4.522 -8.685 -0.794 431 HD21 LEU 53 HD21 LEU 53 3.135 -10.755 -1.325 432 HD22 LEU 53 HD22 LEU 53 1.932 -10.150 -0.185 433 HD23 LEU 53 HD23 LEU 53 2.594 -11.772 0.011 434 H SER 54 H SER 54 7.559 -10.170 -0.598 435 HA SER 54 HA SER 54 8.772 -7.754 0.553 436 HB2 SER 54 HB2 SER 54 9.468 -9.461 -1.831 437 HB3 SER 54 HB3 SER 54 10.257 -7.920 -1.514 438 HG SER 54 HG SER 54 10.490 -10.365 -0.222 439 H MET 55 H MET 55 8.307 -5.742 -0.224 440 HA MET 55 HA MET 55 5.992 -5.364 -1.815 441 HB2 MET 55 HB2 MET 55 6.570 -2.942 -1.774 442 HB3 MET 55 HB3 MET 55 6.532 -3.685 -0.184 443 HG2 MET 55 HG2 MET 55 8.822 -3.562 0.073 444 HG3 MET 55 HG3 MET 55 9.118 -3.413 -1.660 445 HE1 MET 55 HE1 MET 55 7.664 -1.635 1.523 446 HE2 MET 55 HE2 MET 55 6.380 -1.396 0.341 447 HE3 MET 55 HE3 MET 55 7.319 -0.018 0.912 448 H ARG 56 H ARG 56 9.294 -5.737 -2.663 449 HA ARG 56 HA ARG 56 9.041 -4.435 -5.224 450 HB2 ARG 56 HB2 ARG 56 11.322 -5.051 -5.593 451 HB3 ARG 56 HB3 ARG 56 11.172 -4.511 -3.929 452 HG2 ARG 56 HG2 ARG 56 10.999 -6.935 -3.278 453 HG3 ARG 56 HG3 ARG 56 11.462 -7.322 -4.935 454 HD2 ARG 56 HD2 ARG 56 13.446 -7.353 -3.625 455 HD3 ARG 56 HD3 ARG 56 13.482 -5.892 -4.608 456 HE ARG 56 HE ARG 56 12.944 -4.612 -2.671 457 HH11 ARG 56 HH11 ARG 56 13.744 -7.977 -2.008 458 HH12 ARG 56 HH12 ARG 56 14.074 -7.691 -0.334 459 HH21 ARG 56 HH21 ARG 56 13.382 -4.247 -0.462 460 HH22 ARG 56 HH22 ARG 56 13.873 -5.561 0.550 461 H GLN 57 H GLN 57 8.130 -7.399 -3.977 462 HA GLN 57 HA GLN 57 8.322 -8.761 -6.575 463 HB2 GLN 57 HB2 GLN 57 7.569 -9.887 -3.877 464 HB3 GLN 57 HB3 GLN 57 7.870 -10.809 -5.346 465 HG2 GLN 57 HG2 GLN 57 9.919 -9.083 -3.990 466 HG3 GLN 57 HG3 GLN 57 9.740 -10.811 -3.705 467 HE21 GLN 57 HE21 GLN 57 10.561 -8.372 -6.058 468 HE22 GLN 57 HE22 GLN 57 11.453 -9.404 -7.105 469 H ILE 58 H ILE 58 6.272 -6.735 -5.209 470 HA ILE 58 HA ILE 58 3.951 -8.034 -6.401 471 HB ILE 58 HB ILE 58 2.518 -7.140 -4.542 472 HG12 ILE 58 HG12 ILE 58 5.096 -6.976 -2.996 473 HG13 ILE 58 HG13 ILE 58 4.313 -5.568 -3.695 474 HG21 ILE 58 HG21 ILE 58 4.549 -9.178 -3.672 475 HG22 ILE 58 HG22 ILE 58 3.184 -9.505 -4.732 476 HG23 ILE 58 HG23 ILE 58 2.902 -8.995 -3.065 477 HD11 ILE 58 HD11 ILE 58 3.783 -5.809 -1.339 478 HD12 ILE 58 HD12 ILE 58 3.110 -7.410 -1.653 479 HD13 ILE 58 HD13 ILE 58 2.340 -5.979 -2.337 480 H ARG 59 H ARG 59 2.119 -6.398 -6.444 481 HA ARG 59 HA ARG 59 3.063 -3.677 -6.850 482 HB2 ARG 59 HB2 ARG 59 1.805 -5.341 -9.008 483 HB3 ARG 59 HB3 ARG 59 1.744 -3.586 -9.034 484 HG2 ARG 59 HG2 ARG 59 4.224 -5.290 -9.041 485 HG3 ARG 59 HG3 ARG 59 3.561 -4.391 -10.409 486 HD2 ARG 59 HD2 ARG 59 4.530 -3.160 -7.827 487 HD3 ARG 59 HD3 ARG 59 5.454 -3.239 -9.304 488 HE ARG 59 HE ARG 59 3.256 -1.977 -10.138 489 HH11 ARG 59 HH11 ARG 59 5.250 -1.492 -7.306 490 HH12 ARG 59 HH12 ARG 59 5.065 0.227 -7.295 491 HH21 ARG 59 HH21 ARG 59 3.011 0.316 -10.143 492 HH22 ARG 59 HH22 ARG 59 3.786 1.260 -8.912 493 H PHE 60 H PHE 60 1.571 -2.106 -6.700 494 HA PHE 60 HA PHE 60 -1.010 -2.982 -5.570 495 HB2 PHE 60 HB2 PHE 60 0.626 -0.491 -4.916 496 HB3 PHE 60 HB3 PHE 60 -1.019 -0.759 -4.385 497 HD1 PHE 60 HD1 PHE 60 2.176 -2.688 -4.411 498 HD2 PHE 60 HD2 PHE 60 -1.230 -1.395 -2.232 499 HE1 PHE 60 HE1 PHE 60 3.030 -3.828 -2.410 500 HE2 PHE 60 HE2 PHE 60 -0.379 -2.530 -0.226 501 HZ PHE 60 HZ PHE 60 1.752 -3.756 -0.313 502 H ARG 61 H ARG 61 -2.793 -2.384 -6.593 503 HA ARG 61 HA ARG 61 -2.627 -0.059 -8.378 504 HB2 ARG 61 HB2 ARG 61 -3.862 -1.141 -10.133 505 HB3 ARG 61 HB3 ARG 61 -2.489 -2.143 -9.704 506 HG2 ARG 61 HG2 ARG 61 -4.048 -3.763 -9.851 507 HG3 ARG 61 HG3 ARG 61 -4.256 -3.298 -8.170 508 HD2 ARG 61 HD2 ARG 61 -6.196 -2.015 -8.669 509 HD3 ARG 61 HD3 ARG 61 -5.885 -2.098 -10.404 510 HE ARG 61 HE ARG 61 -6.214 -4.696 -9.292 511 HH11 ARG 61 HH11 ARG 61 -8.051 -1.885 -10.302 512 HH12 ARG 61 HH12 ARG 61 -9.491 -2.772 -10.630 513 HH21 ARG 61 HH21 ARG 61 -8.117 -5.876 -9.738 514 HH22 ARG 61 HH22 ARG 61 -9.532 -5.060 -10.307 515 H PHE 62 H PHE 62 -4.320 1.260 -8.498 516 HA PHE 62 HA PHE 62 -6.741 0.652 -6.982 517 HB2 PHE 62 HB2 PHE 62 -5.266 1.773 -5.393 518 HB3 PHE 62 HB3 PHE 62 -4.940 3.046 -6.556 519 HD1 PHE 62 HD1 PHE 62 -7.476 1.606 -4.328 520 HD2 PHE 62 HD2 PHE 62 -6.432 4.859 -6.855 521 HE1 PHE 62 HE1 PHE 62 -9.343 2.913 -3.412 522 HE2 PHE 62 HE2 PHE 62 -8.297 6.176 -5.943 523 HZ PHE 62 HZ PHE 62 -9.755 5.202 -4.217 524 H ASP 63 H ASP 63 -8.522 1.534 -7.947 525 HA ASP 63 HA ASP 63 -9.839 2.671 -9.430 526 HB2 ASP 63 HB2 ASP 63 -8.237 4.598 -8.502 527 HB3 ASP 63 HB3 ASP 63 -7.686 4.577 -10.153 528 H GLY 64 H GLY 64 -8.062 0.494 -10.355 529 HA2 GLY 64 HA2 GLY 64 -7.637 -0.438 -12.379 530 HA3 GLY 64 HA3 GLY 64 -8.247 1.036 -13.116 531 H GLN 65 H GLN 65 -5.912 2.088 -11.024 532 HA GLN 65 HA GLN 65 -3.818 1.807 -13.080 533 HB2 GLN 65 HB2 GLN 65 -3.168 4.154 -12.651 534 HB3 GLN 65 HB3 GLN 65 -4.779 4.011 -13.336 535 HG2 GLN 65 HG2 GLN 65 -5.748 4.325 -11.119 536 HG3 GLN 65 HG3 GLN 65 -4.135 4.492 -10.431 537 HE21 GLN 65 HE21 GLN 65 -6.593 5.944 -12.352 538 HE22 GLN 65 HE22 GLN 65 -5.919 7.534 -12.391 539 HA PRO 66 HA PRO 66 -1.239 0.631 -9.698 540 HB2 PRO 66 HB2 PRO 66 1.187 1.165 -10.768 541 HB3 PRO 66 HB3 PRO 66 0.195 -0.197 -11.305 542 HG2 PRO 66 HG2 PRO 66 0.521 2.507 -12.552 543 HG3 PRO 66 HG3 PRO 66 0.509 0.912 -13.331 544 HD2 PRO 66 HD2 PRO 66 -1.652 2.545 -13.305 545 HD3 PRO 66 HD3 PRO 66 -1.788 0.774 -13.279 546 H ILE 67 H ILE 67 -0.057 1.543 -7.993 547 HA ILE 67 HA ILE 67 0.431 4.436 -8.161 548 HB ILE 67 HB ILE 67 -0.060 4.584 -5.695 549 HG12 ILE 67 HG12 ILE 67 -0.133 1.997 -5.454 550 HG13 ILE 67 HG13 ILE 67 -1.272 2.964 -4.527 551 HG21 ILE 67 HG21 ILE 67 -2.324 4.087 -7.602 552 HG22 ILE 67 HG22 ILE 67 -1.526 5.620 -7.228 553 HG23 ILE 67 HG23 ILE 67 -2.506 4.815 -6.005 554 HD11 ILE 67 HD11 ILE 67 -1.860 1.514 -7.094 555 HD12 ILE 67 HD12 ILE 67 -3.010 2.470 -6.160 556 HD13 ILE 67 HD13 ILE 67 -2.325 0.997 -5.474 557 H ASN 68 H ASN 68 2.226 5.175 -7.402 558 HA ASN 68 HA ASN 68 4.208 3.241 -6.562 559 HB2 ASN 68 HB2 ASN 68 5.623 5.513 -6.658 560 HB3 ASN 68 HB3 ASN 68 5.257 4.557 -8.090 561 HD21 ASN 68 HD21 ASN 68 4.339 7.374 -6.251 562 HD22 ASN 68 HD22 ASN 68 3.508 8.183 -7.529 563 H GLU 69 H GLU 69 5.486 3.479 -4.731 564 HA GLU 69 HA GLU 69 4.104 4.070 -2.365 565 HB2 GLU 69 HB2 GLU 69 6.524 3.932 -1.387 566 HB3 GLU 69 HB3 GLU 69 5.765 2.500 -2.069 567 HG2 GLU 69 HG2 GLU 69 6.988 2.704 -4.069 568 HG3 GLU 69 HG3 GLU 69 7.602 4.297 -3.621 569 H THR 70 H THR 70 5.851 6.096 -4.454 570 HA THR 70 HA THR 70 6.541 8.104 -2.537 571 HB THR 70 HB THR 70 7.124 9.433 -4.572 572 HG1 THR 70 HG1 THR 70 6.810 8.493 -6.568 573 HG21 THR 70 HG21 THR 70 8.758 7.915 -3.541 574 HG22 THR 70 HG22 THR 70 8.941 7.951 -5.297 575 HG23 THR 70 HG23 THR 70 8.128 6.591 -4.523 576 H ASP 71 H ASP 71 3.656 7.228 -4.068 577 HA ASP 71 HA ASP 71 2.611 9.941 -4.099 578 HB2 ASP 71 HB2 ASP 71 1.930 7.485 -5.445 579 HB3 ASP 71 HB3 ASP 71 0.496 8.186 -4.708 580 H THR 72 H THR 72 0.474 10.372 -3.100 581 HA THR 72 HA THR 72 0.307 9.031 -0.485 582 HB THR 72 HB THR 72 -0.638 11.249 0.315 583 HG1 THR 72 HG1 THR 72 0.060 13.059 -1.030 584 HG21 THR 72 HG21 THR 72 1.578 12.311 0.540 585 HG22 THR 72 HG22 THR 72 2.222 11.187 -0.658 586 HG23 THR 72 HG23 THR 72 1.622 10.585 0.890 587 HA PRO 73 HA PRO 73 -3.949 8.128 -1.353 588 HB2 PRO 73 HB2 PRO 73 -5.083 8.477 1.121 589 HB3 PRO 73 HB3 PRO 73 -4.144 7.053 0.667 590 HG2 PRO 73 HG2 PRO 73 -3.305 9.460 2.225 591 HG3 PRO 73 HG3 PRO 73 -2.914 7.752 2.500 592 HD2 PRO 73 HD2 PRO 73 -1.173 9.461 1.362 593 HD3 PRO 73 HD3 PRO 73 -1.245 7.747 0.912 594 H ALA 74 H ALA 74 -2.912 11.178 -0.317 595 HA ALA 74 HA ALA 74 -5.553 12.402 -0.566 596 HB1 ALA 74 HB1 ALA 74 -4.557 14.414 0.278 597 HB2 ALA 74 HB2 ALA 74 -2.939 13.737 0.100 598 HB3 ALA 74 HB3 ALA 74 -4.046 13.066 1.295 599 H GLN 75 H GLN 75 -2.658 11.889 -2.353 600 HA GLN 75 HA GLN 75 -2.758 14.110 -4.078 601 HB2 GLN 75 HB2 GLN 75 -0.915 12.281 -3.716 602 HB3 GLN 75 HB3 GLN 75 -1.771 11.438 -5.000 603 HG2 GLN 75 HG2 GLN 75 -0.082 12.603 -6.089 604 HG3 GLN 75 HG3 GLN 75 -1.523 13.589 -6.344 605 HE21 GLN 75 HE21 GLN 75 1.538 13.338 -4.769 606 HE22 GLN 75 HE22 GLN 75 1.637 14.973 -4.223 607 H LEU 76 H LEU 76 -4.176 10.888 -4.260 608 HA LEU 76 HA LEU 76 -5.570 11.687 -6.694 609 HB2 LEU 76 HB2 LEU 76 -6.187 9.147 -6.736 610 HB3 LEU 76 HB3 LEU 76 -4.622 9.682 -7.286 611 HG LEU 76 HG LEU 76 -4.657 7.560 -5.922 612 HD11 LEU 76 HD11 LEU 76 -2.645 8.069 -4.661 613 HD12 LEU 76 HD12 LEU 76 -2.950 9.795 -4.843 614 HD13 LEU 76 HD13 LEU 76 -2.600 8.807 -6.262 615 HD21 LEU 76 HD21 LEU 76 -5.296 9.477 -3.692 616 HD22 LEU 76 HD22 LEU 76 -4.710 7.832 -3.456 617 HD23 LEU 76 HD23 LEU 76 -6.269 8.111 -4.237 618 H GLU 77 H GLU 77 -6.033 11.810 -3.551 619 HA GLU 77 HA GLU 77 -7.776 12.011 -2.147 620 HB2 GLU 77 HB2 GLU 77 -9.228 12.642 -4.711 621 HB3 GLU 77 HB3 GLU 77 -9.821 13.006 -3.097 622 HG2 GLU 77 HG2 GLU 77 -8.029 14.539 -2.713 623 HG3 GLU 77 HG3 GLU 77 -7.246 14.068 -4.222 624 H MET 78 H MET 78 -7.391 9.441 -2.309 625 HA MET 78 HA MET 78 -9.677 7.986 -3.230 626 HB2 MET 78 HB2 MET 78 -8.687 6.080 -1.917 627 HB3 MET 78 HB3 MET 78 -7.635 6.767 -3.143 628 HG2 MET 78 HG2 MET 78 -6.374 7.945 -1.482 629 HG3 MET 78 HG3 MET 78 -7.508 7.448 -0.224 630 HE1 MET 78 HE1 MET 78 -5.058 5.969 -2.992 631 HE2 MET 78 HE2 MET 78 -6.520 4.987 -3.077 632 HE3 MET 78 HE3 MET 78 -5.017 4.283 -2.481 633 H GLU 79 H GLU 79 -10.853 6.512 -1.593 634 HA GLU 79 HA GLU 79 -12.025 8.355 0.332 635 HB2 GLU 79 HB2 GLU 79 -12.962 5.660 -0.632 636 HB3 GLU 79 HB3 GLU 79 -13.854 6.723 0.449 637 HG2 GLU 79 HG2 GLU 79 -13.878 8.430 -1.328 638 HG3 GLU 79 HG3 GLU 79 -13.092 7.264 -2.394 639 H ASP 80 H ASP 80 -12.743 7.481 2.439 640 HA ASP 80 HA ASP 80 -10.569 6.120 3.702 641 HB2 ASP 80 HB2 ASP 80 -11.800 6.445 5.779 642 HB3 ASP 80 HB3 ASP 80 -11.716 7.956 4.875 643 H GLU 81 H GLU 81 -10.446 4.112 4.269 644 HA GLU 81 HA GLU 81 -10.867 1.958 4.643 645 HB2 GLU 81 HB2 GLU 81 -13.803 2.618 4.340 646 HB3 GLU 81 HB3 GLU 81 -13.150 1.089 4.918 647 HG2 GLU 81 HG2 GLU 81 -12.020 2.483 6.749 648 HG3 GLU 81 HG3 GLU 81 -13.108 3.767 6.254 649 H ASP 82 H ASP 82 -10.793 3.429 1.948 650 HA ASP 82 HA ASP 82 -12.037 1.741 0.050 651 HB2 ASP 82 HB2 ASP 82 -10.734 4.116 -0.111 652 HB3 ASP 82 HB3 ASP 82 -9.474 3.028 -0.675 653 H THR 83 H THR 83 -10.422 0.601 -1.642 654 HA THR 83 HA THR 83 -8.505 -0.989 -0.086 655 HB THR 83 HB THR 83 -10.321 -2.366 -2.049 656 HG1 THR 83 HG1 THR 83 -11.165 -1.149 0.114 657 HG21 THR 83 HG21 THR 83 -8.312 -3.538 -1.225 658 HG22 THR 83 HG22 THR 83 -9.792 -4.316 -0.654 659 HG23 THR 83 HG23 THR 83 -8.860 -3.285 0.434 660 H ILE 84 H ILE 84 -6.871 -2.010 -1.311 661 HA ILE 84 HA ILE 84 -6.526 -1.004 -4.051 662 HB ILE 84 HB ILE 84 -4.458 -1.186 -1.833 663 HG12 ILE 84 HG12 ILE 84 -3.967 1.196 -2.667 664 HG13 ILE 84 HG13 ILE 84 -5.487 1.076 -3.536 665 HG21 ILE 84 HG21 ILE 84 -3.450 -2.176 -3.777 666 HG22 ILE 84 HG22 ILE 84 -2.752 -0.583 -3.489 667 HG23 ILE 84 HG23 ILE 84 -3.940 -0.804 -4.771 668 HD11 ILE 84 HD11 ILE 84 -6.664 0.735 -1.444 669 HD12 ILE 84 HD12 ILE 84 -5.751 2.246 -1.436 670 HD13 ILE 84 HD13 ILE 84 -5.139 0.838 -0.564 671 H ASP 85 H ASP 85 -5.747 -2.515 -5.517 672 HA ASP 85 HA ASP 85 -5.911 -5.287 -4.617 673 HB2 ASP 85 HB2 ASP 85 -7.112 -4.495 -6.661 674 HB3 ASP 85 HB3 ASP 85 -5.527 -4.209 -7.382 675 H VAL 86 H VAL 86 -4.244 -6.615 -4.490 676 HA VAL 86 HA VAL 86 -1.663 -5.653 -5.467 677 HB VAL 86 HB VAL 86 -2.384 -6.981 -2.880 678 HG11 VAL 86 HG11 VAL 86 -0.762 -8.533 -3.873 679 HG12 VAL 86 HG12 VAL 86 -0.050 -7.652 -2.522 680 HG13 VAL 86 HG13 VAL 86 0.339 -7.191 -4.181 681 HG21 VAL 86 HG21 VAL 86 -0.421 -4.845 -3.669 682 HG22 VAL 86 HG22 VAL 86 -0.777 -5.367 -2.022 683 HG23 VAL 86 HG23 VAL 86 -2.027 -4.585 -2.991 684 H PHE 87 H PHE 87 -0.480 -6.926 -6.629 685 HA PHE 87 HA PHE 87 -1.214 -9.730 -6.939 686 HB2 PHE 87 HB2 PHE 87 -0.725 -9.408 -9.458 687 HB3 PHE 87 HB3 PHE 87 -2.308 -8.931 -8.827 688 HD1 PHE 87 HD1 PHE 87 -2.658 -6.467 -8.288 689 HD2 PHE 87 HD2 PHE 87 0.590 -7.889 -10.634 690 HE1 PHE 87 HE1 PHE 87 -2.371 -4.230 -9.209 691 HE2 PHE 87 HE2 PHE 87 0.891 -5.637 -11.580 692 HZ PHE 87 HZ PHE 87 -0.592 -3.797 -10.872 693 H GLN 88 H GLN 88 0.508 -11.061 -7.550 694 HA GLN 88 HA GLN 88 3.102 -9.741 -7.138 695 HB2 GLN 88 HB2 GLN 88 2.794 -12.681 -6.753 696 HB3 GLN 88 HB3 GLN 88 3.858 -11.549 -5.933 697 HG2 GLN 88 HG2 GLN 88 1.653 -10.624 -4.901 698 HG3 GLN 88 HG3 GLN 88 0.984 -12.165 -5.410 699 HE21 GLN 88 HE21 GLN 88 4.258 -11.590 -4.225 700 HE22 GLN 88 HE22 GLN 88 4.090 -12.569 -2.810 701 H GLN 89 H GLN 89 4.079 -9.478 -9.008 702 HA GLN 89 HA GLN 89 4.403 -11.795 -10.697 703 HB2 GLN 89 HB2 GLN 89 4.015 -10.334 -12.744 704 HB3 GLN 89 HB3 GLN 89 2.590 -10.812 -11.838 705 HG2 GLN 89 HG2 GLN 89 2.104 -8.626 -12.142 706 HG3 GLN 89 HG3 GLN 89 3.030 -8.486 -10.649 707 HE21 GLN 89 HE21 GLN 89 3.708 -6.443 -11.006 708 HE22 GLN 89 HE22 GLN 89 4.816 -5.993 -12.251 709 H GLN 90 H GLN 90 6.325 -11.819 -11.852 710 HA GLN 90 HA GLN 90 8.452 -11.363 -12.391 711 HB2 GLN 90 HB2 GLN 90 7.853 -8.528 -11.540 712 HB3 GLN 90 HB3 GLN 90 9.325 -9.051 -12.352 713 HG2 GLN 90 HG2 GLN 90 6.532 -9.161 -13.468 714 HG3 GLN 90 HG3 GLN 90 7.791 -8.012 -13.913 715 HE21 GLN 90 HE21 GLN 90 6.293 -10.012 -15.473 716 HE22 GLN 90 HE22 GLN 90 7.501 -10.979 -16.249 717 H THR 91 H THR 91 9.524 -12.618 -11.003 718 HA THR 91 HA THR 91 10.224 -11.466 -8.396 719 HB THR 91 HB THR 91 8.641 -13.402 -8.231 720 HG1 THR 91 HG1 THR 91 10.597 -12.961 -6.744 721 HG21 THR 91 HG21 THR 91 9.331 -14.642 -10.214 722 HG22 THR 91 HG22 THR 91 9.447 -15.663 -8.782 723 HG23 THR 91 HG23 THR 91 10.905 -14.964 -9.486 724 H GLY 92 H GLY 92 11.449 -11.540 -11.184 725 HA2 GLY 92 HA2 GLY 92 13.715 -11.343 -11.747 726 HA3 GLY 92 HA3 GLY 92 14.133 -12.308 -10.338 727 H GLY 93 H GLY 93 12.791 -14.585 -10.603 728 HA2 GLY 93 HA2 GLY 93 12.505 -15.724 -13.111 729 HA3 GLY 93 HA3 GLY 93 14.183 -15.955 -12.635 Start of MODEL 19 1 H MET 1 H MET 1 -0.502 8.915 29.472 2 HA MET 1 HA MET 1 1.381 9.206 27.979 3 HB2 MET 1 HB2 MET 1 0.231 8.276 25.948 4 HB3 MET 1 HB3 MET 1 -0.141 7.447 27.448 5 HG2 MET 1 HG2 MET 1 -2.157 7.612 26.254 6 HG3 MET 1 HG3 MET 1 -2.261 8.800 27.547 7 HE1 MET 1 HE1 MET 1 -4.312 9.933 26.334 8 HE2 MET 1 HE2 MET 1 -4.223 8.783 25.000 9 HE3 MET 1 HE3 MET 1 -4.286 10.514 24.670 10 H ALA 2 H ALA 2 -0.186 11.943 28.296 11 HA ALA 2 HA ALA 2 -0.513 13.147 25.841 12 HB1 ALA 2 HB1 ALA 2 0.515 14.437 28.366 13 HB2 ALA 2 HB2 ALA 2 -1.182 14.159 27.969 14 HB3 ALA 2 HB3 ALA 2 -0.217 15.271 26.994 15 H ASP 3 H ASP 3 0.832 13.365 24.214 16 HA ASP 3 HA ASP 3 3.627 14.109 24.735 17 HB2 ASP 3 HB2 ASP 3 3.245 11.620 24.118 18 HB3 ASP 3 HB3 ASP 3 2.883 12.224 22.505 19 H GLU 4 H GLU 4 1.562 15.838 24.184 20 HA GLU 4 HA GLU 4 1.459 16.364 21.350 21 HB2 GLU 4 HB2 GLU 4 0.010 18.289 22.042 22 HB3 GLU 4 HB3 GLU 4 -0.578 16.707 22.528 23 HG2 GLU 4 HG2 GLU 4 0.164 17.069 24.790 24 HG3 GLU 4 HG3 GLU 4 0.933 18.586 24.331 25 H LYS 5 H LYS 5 3.348 17.126 20.559 26 HA LYS 5 HA LYS 5 4.174 19.747 21.581 27 HB2 LYS 5 HB2 LYS 5 5.729 17.770 22.187 28 HB3 LYS 5 HB3 LYS 5 6.147 17.752 20.484 29 HG2 LYS 5 HG2 LYS 5 6.422 20.256 22.113 30 HG3 LYS 5 HG3 LYS 5 7.668 19.013 22.137 31 HD2 LYS 5 HD2 LYS 5 6.652 20.390 19.645 32 HD3 LYS 5 HD3 LYS 5 8.115 20.846 20.518 33 HE2 LYS 5 HE2 LYS 5 7.583 18.186 19.185 34 HE3 LYS 5 HE3 LYS 5 8.650 19.453 18.594 35 HZ1 LYS 5 HZ1 LYS 5 9.900 17.730 19.696 36 HZ2 LYS 5 HZ2 LYS 5 9.001 17.915 21.112 37 HZ3 LYS 5 HZ3 LYS 5 10.014 19.161 20.584 38 HA PRO 6 HA PRO 6 3.428 19.979 17.092 39 HB2 PRO 6 HB2 PRO 6 1.436 21.912 17.305 40 HB3 PRO 6 HB3 PRO 6 1.171 20.181 17.110 41 HG2 PRO 6 HG2 PRO 6 0.594 21.778 19.406 42 HG3 PRO 6 HG3 PRO 6 0.416 20.027 19.240 43 HD2 PRO 6 HD2 PRO 6 2.580 21.578 20.540 44 HD3 PRO 6 HD3 PRO 6 2.065 19.904 20.811 45 H LYS 7 H LYS 7 3.689 22.475 19.420 46 HA LYS 7 HA LYS 7 4.175 24.710 19.314 47 HB2 LYS 7 HB2 LYS 7 6.491 23.305 18.045 48 HB3 LYS 7 HB3 LYS 7 6.548 24.990 18.559 49 HG2 LYS 7 HG2 LYS 7 5.985 24.280 20.840 50 HG3 LYS 7 HG3 LYS 7 6.006 22.602 20.299 51 HD2 LYS 7 HD2 LYS 7 8.112 23.158 21.372 52 HD3 LYS 7 HD3 LYS 7 8.364 22.861 19.652 53 HE2 LYS 7 HE2 LYS 7 8.438 25.236 19.215 54 HE3 LYS 7 HE3 LYS 7 8.061 25.585 20.900 55 HZ1 LYS 7 HZ1 LYS 7 10.515 24.219 19.924 56 HZ2 LYS 7 HZ2 LYS 7 10.159 24.573 21.539 57 HZ3 LYS 7 HZ3 LYS 7 10.418 25.827 20.442 58 H GLU 8 H GLU 8 2.454 24.194 17.166 59 HA GLU 8 HA GLU 8 3.594 25.660 14.925 60 HB2 GLU 8 HB2 GLU 8 0.904 24.333 15.214 61 HB3 GLU 8 HB3 GLU 8 1.447 25.178 13.773 62 HG2 GLU 8 HG2 GLU 8 3.405 23.552 13.758 63 HG3 GLU 8 HG3 GLU 8 2.486 22.619 14.938 64 H GLY 9 H GLY 9 0.321 25.918 16.123 65 HA2 GLY 9 HA2 GLY 9 -0.167 27.938 17.560 66 HA3 GLY 9 HA3 GLY 9 0.753 28.827 16.351 67 H VAL 10 H VAL 10 -1.819 26.367 16.226 68 HA VAL 10 HA VAL 10 -3.371 28.215 14.553 69 HB VAL 10 HB VAL 10 -3.407 25.217 14.159 70 HG11 VAL 10 HG11 VAL 10 -4.262 27.498 12.382 71 HG12 VAL 10 HG12 VAL 10 -5.326 26.440 13.306 72 HG13 VAL 10 HG13 VAL 10 -4.365 25.784 11.982 73 HG21 VAL 10 HG21 VAL 10 -1.708 27.211 12.660 74 HG22 VAL 10 HG22 VAL 10 -1.935 25.522 12.209 75 HG23 VAL 10 HG23 VAL 10 -1.125 25.931 13.722 76 H LYS 11 H LYS 11 -5.655 28.017 14.793 77 HA LYS 11 HA LYS 11 -6.514 27.407 17.415 78 HB2 LYS 11 HB2 LYS 11 -7.624 29.133 16.158 79 HB3 LYS 11 HB3 LYS 11 -8.051 27.996 14.889 80 HG2 LYS 11 HG2 LYS 11 -9.566 26.845 16.378 81 HG3 LYS 11 HG3 LYS 11 -9.081 27.890 17.715 82 HD2 LYS 11 HD2 LYS 11 -11.211 28.604 16.752 83 HD3 LYS 11 HD3 LYS 11 -9.962 29.830 16.534 84 HE2 LYS 11 HE2 LYS 11 -11.277 29.603 14.507 85 HE3 LYS 11 HE3 LYS 11 -9.628 29.057 14.223 86 HZ1 LYS 11 HZ1 LYS 11 -11.960 27.286 14.749 87 HZ2 LYS 11 HZ2 LYS 11 -10.384 26.766 14.416 88 HZ3 LYS 11 HZ3 LYS 11 -11.273 27.582 13.238 89 H THR 12 H THR 12 -7.672 25.920 14.356 90 HA THR 12 HA THR 12 -8.130 23.438 15.842 91 HB THR 12 HB THR 12 -9.160 24.174 13.081 92 HG1 THR 12 HG1 THR 12 -10.761 24.384 15.388 93 HG21 THR 12 HG21 THR 12 -10.960 22.555 13.685 94 HG22 THR 12 HG22 THR 12 -10.085 22.186 15.172 95 HG23 THR 12 HG23 THR 12 -9.364 21.813 13.606 96 H GLU 13 H GLU 13 -7.738 21.403 14.219 97 HA GLU 13 HA GLU 13 -5.134 21.922 12.944 98 HB2 GLU 13 HB2 GLU 13 -5.928 19.277 14.167 99 HB3 GLU 13 HB3 GLU 13 -4.343 19.763 13.596 100 HG2 GLU 13 HG2 GLU 13 -4.017 19.969 15.827 101 HG3 GLU 13 HG3 GLU 13 -4.619 21.590 15.484 102 H ASN 14 H ASN 14 -7.531 19.357 13.056 103 HA ASN 14 HA ASN 14 -8.742 18.238 11.463 104 HB2 ASN 14 HB2 ASN 14 -7.742 20.430 9.644 105 HB3 ASN 14 HB3 ASN 14 -8.741 19.098 9.077 106 HD21 ASN 14 HD21 ASN 14 -8.635 22.033 10.880 107 HD22 ASN 14 HD22 ASN 14 -10.340 22.200 11.116 108 H ASN 15 H ASN 15 -5.695 18.247 11.906 109 HA ASN 15 HA ASN 15 -4.650 16.874 9.611 110 HB2 ASN 15 HB2 ASN 15 -3.504 17.213 12.392 111 HB3 ASN 15 HB3 ASN 15 -2.629 16.589 10.998 112 HD21 ASN 15 HD21 ASN 15 -2.406 19.033 12.776 113 HD22 ASN 15 HD22 ASN 15 -2.267 20.343 11.661 114 H ASP 16 H ASP 16 -6.384 15.272 9.629 115 HA ASP 16 HA ASP 16 -5.850 13.099 11.529 116 HB2 ASP 16 HB2 ASP 16 -8.171 14.071 11.587 117 HB3 ASP 16 HB3 ASP 16 -8.385 13.523 9.928 118 H HIS 17 H HIS 17 -6.784 10.957 10.372 119 HA HIS 17 HA HIS 17 -5.524 10.767 7.747 120 HB2 HIS 17 HB2 HIS 17 -4.389 8.715 8.452 121 HB3 HIS 17 HB3 HIS 17 -3.854 10.104 9.387 122 HD1 HIS 17 HD1 HIS 17 -5.763 10.227 11.706 123 HD2 HIS 17 HD2 HIS 17 -4.437 6.640 10.102 124 HE1 HIS 17 HE1 HIS 17 -5.996 8.552 13.544 125 HE2 HIS 17 HE2 HIS 17 -4.866 6.505 12.644 126 H ILE 18 H ILE 18 -6.035 8.556 6.768 127 HA ILE 18 HA ILE 18 -8.790 7.856 7.501 128 HB ILE 18 HB ILE 18 -9.200 7.301 5.128 129 HG12 ILE 18 HG12 ILE 18 -6.613 8.795 4.607 130 HG13 ILE 18 HG13 ILE 18 -6.805 7.050 4.466 131 HG21 ILE 18 HG21 ILE 18 -9.466 9.640 4.371 132 HG22 ILE 18 HG22 ILE 18 -8.460 10.162 5.725 133 HG23 ILE 18 HG23 ILE 18 -10.011 9.382 6.028 134 HD11 ILE 18 HD11 ILE 18 -6.884 8.112 2.293 135 HD12 ILE 18 HD12 ILE 18 -8.221 9.137 2.820 136 HD13 ILE 18 HD13 ILE 18 -8.448 7.393 2.683 137 H ASN 19 H ASN 19 -9.444 5.714 6.557 138 HA ASN 19 HA ASN 19 -7.387 3.768 7.280 139 HB2 ASN 19 HB2 ASN 19 -10.347 3.324 6.863 140 HB3 ASN 19 HB3 ASN 19 -9.207 2.215 7.616 141 HD21 ASN 19 HD21 ASN 19 -11.175 5.025 8.024 142 HD22 ASN 19 HD22 ASN 19 -10.918 5.214 9.713 143 H LEU 20 H LEU 20 -6.726 2.227 5.870 144 HA LEU 20 HA LEU 20 -8.046 2.089 3.253 145 HB2 LEU 20 HB2 LEU 20 -5.219 2.736 3.821 146 HB3 LEU 20 HB3 LEU 20 -5.481 1.556 2.555 147 HG LEU 20 HG LEU 20 -5.272 3.659 1.491 148 HD11 LEU 20 HD11 LEU 20 -7.095 2.202 0.678 149 HD12 LEU 20 HD12 LEU 20 -7.342 3.912 0.339 150 HD13 LEU 20 HD13 LEU 20 -8.233 3.141 1.647 151 HD21 LEU 20 HD21 LEU 20 -6.634 5.606 2.060 152 HD22 LEU 20 HD22 LEU 20 -5.617 5.101 3.410 153 HD23 LEU 20 HD23 LEU 20 -7.338 4.715 3.410 154 H LYS 21 H LYS 21 -7.573 0.118 2.082 155 HA LYS 21 HA LYS 21 -6.706 -2.103 3.777 156 HB2 LYS 21 HB2 LYS 21 -9.234 -1.952 2.157 157 HB3 LYS 21 HB3 LYS 21 -8.600 -3.444 2.833 158 HG2 LYS 21 HG2 LYS 21 -8.938 -2.707 5.031 159 HG3 LYS 21 HG3 LYS 21 -9.261 -1.054 4.506 160 HD2 LYS 21 HD2 LYS 21 -11.342 -2.183 5.103 161 HD3 LYS 21 HD3 LYS 21 -11.300 -1.827 3.376 162 HE2 LYS 21 HE2 LYS 21 -10.644 -4.129 2.911 163 HE3 LYS 21 HE3 LYS 21 -10.651 -4.487 4.639 164 HZ1 LYS 21 HZ1 LYS 21 -12.689 -5.213 3.552 165 HZ2 LYS 21 HZ2 LYS 21 -13.014 -3.633 3.051 166 HZ3 LYS 21 HZ3 LYS 21 -13.012 -4.014 4.695 167 H VAL 22 H VAL 22 -5.829 -3.824 2.630 168 HA VAL 22 HA VAL 22 -5.451 -3.354 -0.249 169 HB VAL 22 HB VAL 22 -3.295 -4.227 1.687 170 HG11 VAL 22 HG11 VAL 22 -3.216 -4.049 -1.309 171 HG12 VAL 22 HG12 VAL 22 -3.187 -5.530 -0.351 172 HG13 VAL 22 HG13 VAL 22 -1.844 -4.387 -0.254 173 HG21 VAL 22 HG21 VAL 22 -2.140 -2.238 1.005 174 HG22 VAL 22 HG22 VAL 22 -3.768 -1.778 1.515 175 HG23 VAL 22 HG23 VAL 22 -3.375 -1.881 -0.199 176 H ALA 23 H ALA 23 -6.245 -4.921 -1.350 177 HA ALA 23 HA ALA 23 -6.663 -7.535 -0.146 178 HB1 ALA 23 HB1 ALA 23 -7.980 -8.039 -2.125 179 HB2 ALA 23 HB2 ALA 23 -7.494 -6.508 -2.860 180 HB3 ALA 23 HB3 ALA 23 -8.499 -6.511 -1.409 181 H GLY 24 H GLY 24 -5.308 -9.103 -0.395 182 HA2 GLY 24 HA2 GLY 24 -3.127 -8.820 -2.300 183 HA3 GLY 24 HA3 GLY 24 -3.225 -10.002 -0.999 184 H GLN 25 H GLN 25 -2.520 -10.649 -3.630 185 HA GLN 25 HA GLN 25 -4.692 -11.624 -5.136 186 HB2 GLN 25 HB2 GLN 25 -2.953 -13.026 -6.314 187 HB3 GLN 25 HB3 GLN 25 -2.646 -11.294 -6.273 188 HG2 GLN 25 HG2 GLN 25 -0.590 -12.398 -5.883 189 HG3 GLN 25 HG3 GLN 25 -1.099 -11.685 -4.356 190 HE21 GLN 25 HE21 GLN 25 -0.016 -13.039 -3.025 191 HE22 GLN 25 HE22 GLN 25 -0.372 -14.717 -2.863 192 H ASP 26 H ASP 26 -3.392 -12.748 -2.250 193 HA ASP 26 HA ASP 26 -4.086 -15.521 -2.572 194 HB2 ASP 26 HB2 ASP 26 -2.909 -13.851 -0.453 195 HB3 ASP 26 HB3 ASP 26 -3.896 -15.194 0.119 196 H GLY 27 H GLY 27 -5.829 -12.718 -2.033 197 HA2 GLY 27 HA2 GLY 27 -8.187 -12.684 -1.970 198 HA3 GLY 27 HA3 GLY 27 -8.183 -14.316 -1.322 199 H SER 28 H SER 28 -5.974 -12.350 0.209 200 HA SER 28 HA SER 28 -7.796 -12.006 2.478 201 HB2 SER 28 HB2 SER 28 -5.774 -13.429 2.844 202 HB3 SER 28 HB3 SER 28 -4.771 -12.022 2.498 203 HG SER 28 HG SER 28 -4.960 -12.105 4.668 204 H VAL 29 H VAL 29 -7.536 -10.054 3.714 205 HA VAL 29 HA VAL 29 -6.399 -7.865 2.157 206 HB VAL 29 HB VAL 29 -8.835 -8.025 1.658 207 HG11 VAL 29 HG11 VAL 29 -10.436 -7.269 3.397 208 HG12 VAL 29 HG12 VAL 29 -9.123 -7.324 4.575 209 HG13 VAL 29 HG13 VAL 29 -9.661 -8.808 3.787 210 HG21 VAL 29 HG21 VAL 29 -9.323 -5.623 2.009 211 HG22 VAL 29 HG22 VAL 29 -7.693 -5.902 1.397 212 HG23 VAL 29 HG23 VAL 29 -7.940 -5.530 3.104 213 H VAL 30 H VAL 30 -5.390 -6.359 3.348 214 HA VAL 30 HA VAL 30 -5.492 -6.679 6.244 215 HB VAL 30 HB VAL 30 -3.266 -6.777 5.226 216 HG11 VAL 30 HG11 VAL 30 -2.256 -4.834 4.156 217 HG12 VAL 30 HG12 VAL 30 -3.787 -3.966 4.288 218 HG13 VAL 30 HG13 VAL 30 -3.672 -5.402 3.272 219 HG21 VAL 30 HG21 VAL 30 -2.164 -4.960 6.554 220 HG22 VAL 30 HG22 VAL 30 -3.316 -5.939 7.462 221 HG23 VAL 30 HG23 VAL 30 -3.772 -4.328 6.908 222 H GLN 31 H GLN 31 -6.171 -5.050 7.598 223 HA GLN 31 HA GLN 31 -7.196 -2.630 6.309 224 HB2 GLN 31 HB2 GLN 31 -7.957 -3.672 9.015 225 HB3 GLN 31 HB3 GLN 31 -8.818 -2.510 8.019 226 HG2 GLN 31 HG2 GLN 31 -9.218 -4.317 6.355 227 HG3 GLN 31 HG3 GLN 31 -8.520 -5.456 7.500 228 HE21 GLN 31 HE21 GLN 31 -11.175 -3.387 6.785 229 HE22 GLN 31 HE22 GLN 31 -12.253 -4.047 7.955 230 H PHE 32 H PHE 32 -6.304 -0.766 6.860 231 HA PHE 32 HA PHE 32 -4.752 -0.479 9.298 232 HB2 PHE 32 HB2 PHE 32 -2.715 0.245 8.068 233 HB3 PHE 32 HB3 PHE 32 -3.070 -1.473 7.900 234 HD1 PHE 32 HD1 PHE 32 -4.335 -2.191 5.778 235 HD2 PHE 32 HD2 PHE 32 -2.375 1.563 6.176 236 HE1 PHE 32 HE1 PHE 32 -4.314 -1.954 3.342 237 HE2 PHE 32 HE2 PHE 32 -2.343 1.806 3.745 238 HZ PHE 32 HZ PHE 32 -3.308 0.049 2.317 239 H LYS 33 H LYS 33 -3.732 1.696 9.389 240 HA LYS 33 HA LYS 33 -5.521 3.677 8.132 241 HB2 LYS 33 HB2 LYS 33 -4.284 3.963 10.870 242 HB3 LYS 33 HB3 LYS 33 -5.532 4.971 10.147 243 HG2 LYS 33 HG2 LYS 33 -6.970 2.881 10.082 244 HG3 LYS 33 HG3 LYS 33 -5.764 2.146 11.127 245 HD2 LYS 33 HD2 LYS 33 -7.279 4.678 11.767 246 HD3 LYS 33 HD3 LYS 33 -7.677 3.078 12.390 247 HE2 LYS 33 HE2 LYS 33 -5.416 2.974 13.403 248 HE3 LYS 33 HE3 LYS 33 -5.141 4.625 12.860 249 HZ1 LYS 33 HZ1 LYS 33 -5.833 4.602 15.153 250 HZ2 LYS 33 HZ2 LYS 33 -7.228 3.736 14.772 251 HZ3 LYS 33 HZ3 LYS 33 -7.046 5.322 14.217 252 H ILE 34 H ILE 34 -4.609 5.427 7.161 253 HA ILE 34 HA ILE 34 -1.734 5.903 7.522 254 HB ILE 34 HB ILE 34 -1.871 4.436 5.578 255 HG12 ILE 34 HG12 ILE 34 -1.404 7.285 4.666 256 HG13 ILE 34 HG13 ILE 34 -0.233 6.305 5.539 257 HG21 ILE 34 HG21 ILE 34 -3.119 5.067 3.564 258 HG22 ILE 34 HG22 ILE 34 -3.798 6.446 4.432 259 HG23 ILE 34 HG23 ILE 34 -4.173 4.802 4.955 260 HD11 ILE 34 HD11 ILE 34 -1.353 5.682 2.816 261 HD12 ILE 34 HD12 ILE 34 -0.150 4.734 3.689 262 HD13 ILE 34 HD13 ILE 34 0.238 6.366 3.152 263 H LYS 35 H LYS 35 -1.075 8.057 7.110 264 HA LYS 35 HA LYS 35 -3.193 9.983 7.424 265 HB2 LYS 35 HB2 LYS 35 -0.268 10.579 7.076 266 HB3 LYS 35 HB3 LYS 35 -1.493 11.613 7.796 267 HG2 LYS 35 HG2 LYS 35 -1.753 9.631 9.461 268 HG3 LYS 35 HG3 LYS 35 -0.126 9.235 8.907 269 HD2 LYS 35 HD2 LYS 35 -0.901 11.949 9.979 270 HD3 LYS 35 HD3 LYS 35 -0.197 10.672 10.968 271 HE2 LYS 35 HE2 LYS 35 1.104 11.818 8.497 272 HE3 LYS 35 HE3 LYS 35 1.440 12.373 10.136 273 HZ1 LYS 35 HZ1 LYS 35 1.885 9.606 9.130 274 HZ2 LYS 35 HZ2 LYS 35 2.224 10.156 10.693 275 HZ3 LYS 35 HZ3 LYS 35 3.085 10.771 9.379 276 H ARG 36 H ARG 36 -3.538 11.805 6.122 277 HA ARG 36 HA ARG 36 -3.775 11.278 3.406 278 HB2 ARG 36 HB2 ARG 36 -3.689 14.031 4.639 279 HB3 ARG 36 HB3 ARG 36 -4.541 13.541 3.187 280 HG2 ARG 36 HG2 ARG 36 -5.223 12.894 6.043 281 HG3 ARG 36 HG3 ARG 36 -6.170 13.812 4.872 282 HD2 ARG 36 HD2 ARG 36 -5.577 10.856 4.830 283 HD3 ARG 36 HD3 ARG 36 -7.135 11.612 5.146 284 HE ARG 36 HE ARG 36 -5.858 11.232 2.569 285 HH11 ARG 36 HH11 ARG 36 -8.465 12.820 4.336 286 HH12 ARG 36 HH12 ARG 36 -9.395 13.125 2.908 287 HH21 ARG 36 HH21 ARG 36 -7.132 11.641 0.680 288 HH22 ARG 36 HH22 ARG 36 -8.638 12.460 0.847 289 H HIS 37 H HIS 37 -1.315 13.068 5.181 290 HA HIS 37 HA HIS 37 0.129 13.680 2.718 291 HB2 HIS 37 HB2 HIS 37 0.439 14.542 5.571 292 HB3 HIS 37 HB3 HIS 37 1.725 14.819 4.402 293 HD1 HIS 37 HD1 HIS 37 1.213 16.519 2.468 294 HD2 HIS 37 HD2 HIS 37 -1.753 16.238 5.367 295 HE1 HIS 37 HE1 HIS 37 -0.271 18.509 2.111 296 HE2 HIS 37 HE2 HIS 37 -2.122 18.259 3.793 297 H THR 38 H THR 38 -0.110 11.000 4.347 298 HA THR 38 HA THR 38 2.725 10.467 4.622 299 HB THR 38 HB THR 38 0.262 8.979 5.538 300 HG1 THR 38 HG1 THR 38 2.574 10.005 6.848 301 HG21 THR 38 HG21 THR 38 1.753 7.210 6.368 302 HG22 THR 38 HG22 THR 38 3.129 8.003 5.591 303 HG23 THR 38 HG23 THR 38 1.833 7.327 4.607 304 HA PRO 39 HA PRO 39 2.825 8.736 0.558 305 HB2 PRO 39 HB2 PRO 39 5.210 7.460 0.790 306 HB3 PRO 39 HB3 PRO 39 5.064 9.206 0.536 307 HG2 PRO 39 HG2 PRO 39 5.546 7.671 3.058 308 HG3 PRO 39 HG3 PRO 39 6.299 9.175 2.503 309 HD2 PRO 39 HD2 PRO 39 4.332 9.145 4.340 310 HD3 PRO 39 HD3 PRO 39 4.503 10.464 3.170 311 H LEU 40 H LEU 40 2.453 6.822 -0.506 312 HA LEU 40 HA LEU 40 1.340 4.666 0.788 313 HB2 LEU 40 HB2 LEU 40 2.262 5.317 -1.944 314 HB3 LEU 40 HB3 LEU 40 1.941 3.633 -1.583 315 HG LEU 40 HG LEU 40 -0.318 4.050 -1.160 316 HD11 LEU 40 HD11 LEU 40 -0.171 6.036 0.173 317 HD12 LEU 40 HD12 LEU 40 -1.350 6.256 -1.121 318 HD13 LEU 40 HD13 LEU 40 0.253 6.986 -1.252 319 HD21 LEU 40 HD21 LEU 40 -1.113 5.072 -3.226 320 HD22 LEU 40 HD22 LEU 40 0.253 3.993 -3.510 321 HD23 LEU 40 HD23 LEU 40 0.497 5.741 -3.499 322 H SER 41 H SER 41 4.646 5.394 0.463 323 HA SER 41 HA SER 41 5.836 2.921 0.119 324 HB2 SER 41 HB2 SER 41 7.715 3.898 1.527 325 HB3 SER 41 HB3 SER 41 7.221 4.863 0.137 326 HG SER 41 HG SER 41 7.236 5.530 2.731 327 HH31 ALY 42 HH31 ALY 42 0.273 0.481 9.066 328 HH32 ALY 42 HH32 ALY 42 -1.228 1.406 9.278 329 HH33 ALY 42 HH33 ALY 42 -0.176 1.056 10.665 330 HZ ALY 42 HZ ALY 42 -0.178 2.833 7.524 331 HE3 ALY 42 HE3 ALY 42 1.817 4.644 7.956 332 HE2 ALY 42 HE2 ALY 42 2.650 3.106 7.749 333 HD3 ALY 42 HD3 ALY 42 1.575 2.810 5.569 334 HD2 ALY 42 HD2 ALY 42 0.719 4.337 5.782 335 HG3 ALY 42 HG3 ALY 42 2.638 4.669 4.335 336 HG2 ALY 42 HG2 ALY 42 2.906 5.507 5.857 337 HB3 ALY 42 HB3 ALY 42 4.933 4.504 5.591 338 HB2 ALY 42 HB2 ALY 42 4.104 3.259 6.499 339 HCA ALY 42 HCA ALY 42 5.302 2.181 4.733 340 H ALY 42 H ALY 42 4.533 4.385 3.092 341 H LEU 43 H LEU 43 2.493 3.048 2.862 342 HA LEU 43 HA LEU 43 0.679 1.148 3.874 343 HB2 LEU 43 HB2 LEU 43 -0.090 2.967 2.477 344 HB3 LEU 43 HB3 LEU 43 0.898 2.437 1.137 345 HG LEU 43 HG LEU 43 -1.291 0.660 2.185 346 HD11 LEU 43 HD11 LEU 43 -2.315 2.851 1.807 347 HD12 LEU 43 HD12 LEU 43 -2.826 1.673 0.596 348 HD13 LEU 43 HD13 LEU 43 -1.620 2.891 0.182 349 HD21 LEU 43 HD21 LEU 43 0.267 -0.269 0.555 350 HD22 LEU 43 HD22 LEU 43 -0.076 1.065 -0.549 351 HD23 LEU 43 HD23 LEU 43 -1.343 -0.093 -0.146 352 H MET 44 H MET 44 2.859 1.016 1.087 353 HA MET 44 HA MET 44 2.362 -1.640 0.360 354 HB2 MET 44 HB2 MET 44 4.663 0.238 -0.048 355 HB3 MET 44 HB3 MET 44 4.814 -1.443 -0.536 356 HG2 MET 44 HG2 MET 44 3.194 -1.263 -2.146 357 HG3 MET 44 HG3 MET 44 2.495 0.205 -1.489 358 HE1 MET 44 HE1 MET 44 3.800 1.389 -4.952 359 HE2 MET 44 HE2 MET 44 2.434 1.346 -3.841 360 HE3 MET 44 HE3 MET 44 3.037 -0.150 -4.553 361 H LYS 45 H LYS 45 4.557 -0.219 2.680 362 HA LYS 45 HA LYS 45 5.962 -2.579 3.303 363 HB2 LYS 45 HB2 LYS 45 6.923 -0.450 3.856 364 HB3 LYS 45 HB3 LYS 45 5.534 -0.019 4.839 365 HG2 LYS 45 HG2 LYS 45 7.352 -0.582 6.278 366 HG3 LYS 45 HG3 LYS 45 6.127 -1.846 6.399 367 HD2 LYS 45 HD2 LYS 45 8.316 -2.859 6.307 368 HD3 LYS 45 HD3 LYS 45 7.448 -3.213 4.813 369 HE2 LYS 45 HE2 LYS 45 8.748 -1.769 3.556 370 HE3 LYS 45 HE3 LYS 45 9.239 -0.825 4.966 371 HZ1 LYS 45 HZ1 LYS 45 10.598 -2.685 5.674 372 HZ2 LYS 45 HZ2 LYS 45 11.044 -2.170 4.127 373 HZ3 LYS 45 HZ3 LYS 45 10.133 -3.579 4.319 374 H ALA 46 H ALA 46 3.161 -0.995 4.774 375 HA ALA 46 HA ALA 46 2.884 -2.616 7.034 376 HB1 ALA 46 HB1 ALA 46 0.565 -1.864 7.115 377 HB2 ALA 46 HB2 ALA 46 0.684 -1.285 5.454 378 HB3 ALA 46 HB3 ALA 46 1.644 -0.525 6.725 379 H TYR 47 H TYR 47 1.367 -2.945 3.838 380 HA TYR 47 HA TYR 47 0.067 -5.370 4.425 381 HB2 TYR 47 HB2 TYR 47 -0.727 -4.166 2.556 382 HB3 TYR 47 HB3 TYR 47 0.868 -4.054 1.825 383 HD1 TYR 47 HD1 TYR 47 -1.989 -6.264 2.499 384 HD2 TYR 47 HD2 TYR 47 1.745 -5.867 0.524 385 HE1 TYR 47 HE1 TYR 47 -2.471 -8.296 1.222 386 HE2 TYR 47 HE2 TYR 47 1.281 -7.895 -0.780 387 HH TYR 47 HH TYR 47 -0.098 -9.926 -0.589 388 H CYS 48 H CYS 48 3.278 -4.641 3.190 389 HA CYS 48 HA CYS 48 3.998 -7.272 2.436 390 HB2 CYS 48 HB2 CYS 48 5.415 -5.758 1.481 391 HB3 CYS 48 HB3 CYS 48 5.405 -4.685 2.877 392 HG CYS 48 HG CYS 48 7.084 -7.654 2.925 393 H GLU 49 H GLU 49 4.284 -5.462 5.409 394 HA GLU 49 HA GLU 49 5.856 -7.342 6.826 395 HB2 GLU 49 HB2 GLU 49 3.975 -5.203 7.811 396 HB3 GLU 49 HB3 GLU 49 5.104 -6.087 8.827 397 HG2 GLU 49 HG2 GLU 49 5.980 -4.508 6.444 398 HG3 GLU 49 HG3 GLU 49 5.808 -3.787 8.035 399 H ARG 50 H ARG 50 2.382 -6.820 6.533 400 HA ARG 50 HA ARG 50 1.565 -8.677 8.498 401 HB2 ARG 50 HB2 ARG 50 0.128 -7.644 6.060 402 HB3 ARG 50 HB3 ARG 50 -0.626 -8.621 7.311 403 HG2 ARG 50 HG2 ARG 50 0.662 -5.950 7.770 404 HG3 ARG 50 HG3 ARG 50 -1.063 -6.213 7.521 405 HD2 ARG 50 HD2 ARG 50 -1.093 -7.687 9.491 406 HD3 ARG 50 HD3 ARG 50 0.613 -7.333 9.762 407 HE ARG 50 HE ARG 50 -0.223 -4.919 9.890 408 HH11 ARG 50 HH11 ARG 50 -2.005 -7.722 11.025 409 HH12 ARG 50 HH12 ARG 50 -2.911 -6.823 12.195 410 HH21 ARG 50 HH21 ARG 50 -1.420 -3.736 11.447 411 HH22 ARG 50 HH22 ARG 50 -2.587 -4.554 12.427 412 H GLN 51 H GLN 51 1.787 -8.989 4.968 413 HA GLN 51 HA GLN 51 1.092 -11.770 5.096 414 HB2 GLN 51 HB2 GLN 51 1.614 -9.807 2.948 415 HB3 GLN 51 HB3 GLN 51 1.972 -11.483 2.562 416 HG2 GLN 51 HG2 GLN 51 -0.274 -10.910 1.863 417 HG3 GLN 51 HG3 GLN 51 -0.313 -12.119 3.141 418 HE21 GLN 51 HE21 GLN 51 0.213 -8.661 3.629 419 HE22 GLN 51 HE22 GLN 51 -1.265 -8.389 4.483 420 H GLY 52 H GLY 52 4.005 -9.985 5.309 421 HA2 GLY 52 HA2 GLY 52 6.094 -10.791 5.893 422 HA3 GLY 52 HA3 GLY 52 5.489 -12.428 5.693 423 H LEU 53 H LEU 53 4.729 -10.666 2.993 424 HA LEU 53 HA LEU 53 6.800 -11.969 1.464 425 HB2 LEU 53 HB2 LEU 53 5.510 -11.018 -0.502 426 HB3 LEU 53 HB3 LEU 53 4.683 -12.204 0.480 427 HG LEU 53 HG LEU 53 3.544 -10.238 1.648 428 HD11 LEU 53 HD11 LEU 53 4.598 -8.761 -0.749 429 HD12 LEU 53 HD12 LEU 53 5.062 -8.486 0.931 430 HD13 LEU 53 HD13 LEU 53 3.408 -8.158 0.407 431 HD21 LEU 53 HD21 LEU 53 1.883 -9.998 -0.130 432 HD22 LEU 53 HD22 LEU 53 2.400 -11.674 0.057 433 HD23 LEU 53 HD23 LEU 53 3.016 -10.706 -1.281 434 H SER 54 H SER 54 7.530 -10.516 -0.536 435 HA SER 54 HA SER 54 8.879 -8.237 0.683 436 HB2 SER 54 HB2 SER 54 9.387 -9.777 -1.865 437 HB3 SER 54 HB3 SER 54 10.335 -8.378 -1.377 438 HG SER 54 HG SER 54 9.999 -10.741 0.177 439 H MET 55 H MET 55 8.223 -6.217 0.262 440 HA MET 55 HA MET 55 5.985 -5.626 -1.340 441 HB2 MET 55 HB2 MET 55 6.621 -3.217 -0.998 442 HB3 MET 55 HB3 MET 55 6.465 -4.154 0.478 443 HG2 MET 55 HG2 MET 55 8.593 -3.809 1.052 444 HG3 MET 55 HG3 MET 55 9.179 -4.126 -0.581 445 HE1 MET 55 HE1 MET 55 6.518 -1.402 0.476 446 HE2 MET 55 HE2 MET 55 7.569 -0.029 0.817 447 HE3 MET 55 HE3 MET 55 7.627 -1.462 1.843 448 H ARG 56 H ARG 56 9.317 -5.842 -2.150 449 HA ARG 56 HA ARG 56 9.188 -4.245 -4.539 450 HB2 ARG 56 HB2 ARG 56 11.435 -4.976 -4.929 451 HB3 ARG 56 HB3 ARG 56 11.297 -4.727 -3.201 452 HG2 ARG 56 HG2 ARG 56 10.762 -7.216 -3.091 453 HG3 ARG 56 HG3 ARG 56 11.463 -7.269 -4.707 454 HD2 ARG 56 HD2 ARG 56 13.451 -6.058 -3.715 455 HD3 ARG 56 HD3 ARG 56 12.748 -6.447 -2.141 456 HE ARG 56 HE ARG 56 13.344 -8.491 -4.123 457 HH11 ARG 56 HH11 ARG 56 13.647 -7.237 -0.855 458 HH12 ARG 56 HH12 ARG 56 14.390 -8.670 -0.238 459 HH21 ARG 56 HH21 ARG 56 14.366 -10.385 -3.298 460 HH22 ARG 56 HH22 ARG 56 14.828 -10.444 -1.632 461 H GLN 57 H GLN 57 8.206 -7.384 -3.706 462 HA GLN 57 HA GLN 57 8.464 -8.428 -6.438 463 HB2 GLN 57 HB2 GLN 57 7.629 -9.831 -3.898 464 HB3 GLN 57 HB3 GLN 57 7.953 -10.592 -5.451 465 HG2 GLN 57 HG2 GLN 57 10.003 -8.989 -3.980 466 HG3 GLN 57 HG3 GLN 57 9.790 -10.708 -3.701 467 HE21 GLN 57 HE21 GLN 57 10.740 -8.261 -5.966 468 HE22 GLN 57 HE22 GLN 57 11.604 -9.297 -7.037 469 H ILE 58 H ILE 58 6.341 -6.563 -4.979 470 HA ILE 58 HA ILE 58 4.064 -7.851 -6.288 471 HB ILE 58 HB ILE 58 2.603 -6.988 -4.443 472 HG12 ILE 58 HG12 ILE 58 5.191 -6.781 -2.920 473 HG13 ILE 58 HG13 ILE 58 4.342 -5.395 -3.595 474 HG21 ILE 58 HG21 ILE 58 3.029 -8.844 -2.964 475 HG22 ILE 58 HG22 ILE 58 4.667 -9.007 -3.604 476 HG23 ILE 58 HG23 ILE 58 3.279 -9.341 -4.640 477 HD11 ILE 58 HD11 ILE 58 3.269 -7.296 -1.529 478 HD12 ILE 58 HD12 ILE 58 2.404 -5.915 -2.202 479 HD13 ILE 58 HD13 ILE 58 3.855 -5.659 -1.229 480 H ARG 59 H ARG 59 2.255 -6.321 -6.495 481 HA ARG 59 HA ARG 59 3.116 -3.550 -6.816 482 HB2 ARG 59 HB2 ARG 59 1.934 -5.245 -8.994 483 HB3 ARG 59 HB3 ARG 59 1.906 -3.491 -9.040 484 HG2 ARG 59 HG2 ARG 59 4.315 -5.283 -9.016 485 HG3 ARG 59 HG3 ARG 59 3.764 -4.257 -10.343 486 HD2 ARG 59 HD2 ARG 59 4.112 -2.291 -8.763 487 HD3 ARG 59 HD3 ARG 59 4.916 -3.429 -7.692 488 HE ARG 59 HE ARG 59 5.864 -3.027 -10.445 489 HH11 ARG 59 HH11 ARG 59 6.469 -3.120 -6.984 490 HH12 ARG 59 HH12 ARG 59 8.164 -2.824 -7.140 491 HH21 ARG 59 HH21 ARG 59 8.132 -2.666 -10.652 492 HH22 ARG 59 HH22 ARG 59 9.112 -2.583 -9.227 493 H PHE 60 H PHE 60 1.509 -2.025 -6.790 494 HA PHE 60 HA PHE 60 -1.047 -2.967 -5.675 495 HB2 PHE 60 HB2 PHE 60 0.569 -0.473 -5.033 496 HB3 PHE 60 HB3 PHE 60 -1.073 -0.743 -4.481 497 HD1 PHE 60 HD1 PHE 60 2.211 -2.528 -4.503 498 HD2 PHE 60 HD2 PHE 60 -1.320 -1.517 -2.360 499 HE1 PHE 60 HE1 PHE 60 3.091 -3.669 -2.497 500 HE2 PHE 60 HE2 PHE 60 -0.441 -2.661 -0.366 501 HZ PHE 60 HZ PHE 60 1.759 -3.741 -0.443 502 H ARG 61 H ARG 61 -2.853 -2.335 -6.679 503 HA ARG 61 HA ARG 61 -2.707 0.023 -8.419 504 HB2 ARG 61 HB2 ARG 61 -3.952 -1.049 -10.207 505 HB3 ARG 61 HB3 ARG 61 -2.517 -1.981 -9.824 506 HG2 ARG 61 HG2 ARG 61 -3.962 -3.689 -9.989 507 HG3 ARG 61 HG3 ARG 61 -4.212 -3.274 -8.304 508 HD2 ARG 61 HD2 ARG 61 -6.220 -2.137 -8.786 509 HD3 ARG 61 HD3 ARG 61 -5.893 -2.113 -10.520 510 HE ARG 61 HE ARG 61 -6.056 -4.778 -9.486 511 HH11 ARG 61 HH11 ARG 61 -8.055 -2.060 -10.472 512 HH12 ARG 61 HH12 ARG 61 -9.394 -3.050 -10.940 513 HH21 ARG 61 HH21 ARG 61 -7.845 -6.084 -10.104 514 HH22 ARG 61 HH22 ARG 61 -9.276 -5.332 -10.727 515 H PHE 62 H PHE 62 -4.383 1.374 -8.413 516 HA PHE 62 HA PHE 62 -6.795 0.645 -6.932 517 HB2 PHE 62 HB2 PHE 62 -5.344 1.680 -5.278 518 HB3 PHE 62 HB3 PHE 62 -5.011 3.023 -6.361 519 HD1 PHE 62 HD1 PHE 62 -7.593 1.437 -4.276 520 HD2 PHE 62 HD2 PHE 62 -6.466 4.871 -6.513 521 HE1 PHE 62 HE1 PHE 62 -9.471 2.685 -3.299 522 HE2 PHE 62 HE2 PHE 62 -8.341 6.130 -5.539 523 HZ PHE 62 HZ PHE 62 -9.848 5.033 -3.927 524 H ASP 63 H ASP 63 -8.621 1.632 -7.727 525 HA ASP 63 HA ASP 63 -9.980 2.747 -9.166 526 HB2 ASP 63 HB2 ASP 63 -8.051 4.651 -8.252 527 HB3 ASP 63 HB3 ASP 63 -8.415 4.992 -9.937 528 H GLY 64 H GLY 64 -8.038 0.801 -10.264 529 HA2 GLY 64 HA2 GLY 64 -7.793 0.000 -12.398 530 HA3 GLY 64 HA3 GLY 64 -8.375 1.536 -13.013 531 H GLN 65 H GLN 65 -6.048 2.479 -10.957 532 HA GLN 65 HA GLN 65 -3.970 2.248 -13.037 533 HB2 GLN 65 HB2 GLN 65 -3.222 4.515 -12.451 534 HB3 GLN 65 HB3 GLN 65 -4.874 4.500 -13.049 535 HG2 GLN 65 HG2 GLN 65 -5.687 4.630 -10.730 536 HG3 GLN 65 HG3 GLN 65 -4.017 4.727 -10.173 537 HE21 GLN 65 HE21 GLN 65 -6.572 6.343 -11.856 538 HE22 GLN 65 HE22 GLN 65 -5.882 7.926 -11.803 539 HA PRO 66 HA PRO 66 -1.347 0.738 -9.808 540 HB2 PRO 66 HB2 PRO 66 1.068 1.251 -10.927 541 HB3 PRO 66 HB3 PRO 66 0.016 -0.042 -11.514 542 HG2 PRO 66 HG2 PRO 66 0.397 2.722 -12.606 543 HG3 PRO 66 HG3 PRO 66 0.304 1.180 -13.478 544 HD2 PRO 66 HD2 PRO 66 -1.801 2.879 -13.276 545 HD3 PRO 66 HD3 PRO 66 -1.995 1.115 -13.364 546 H ILE 67 H ILE 67 -0.152 1.559 -8.080 547 HA ILE 67 HA ILE 67 0.390 4.444 -8.154 548 HB ILE 67 HB ILE 67 -0.159 4.594 -5.723 549 HG12 ILE 67 HG12 ILE 67 -0.191 2.016 -5.444 550 HG13 ILE 67 HG13 ILE 67 -1.369 2.966 -4.551 551 HG21 ILE 67 HG21 ILE 67 -2.434 4.006 -7.594 552 HG22 ILE 67 HG22 ILE 67 -1.627 5.554 -7.338 553 HG23 ILE 67 HG23 ILE 67 -2.580 4.834 -6.044 554 HD11 ILE 67 HD11 ILE 67 -3.062 2.410 -6.215 555 HD12 ILE 67 HD12 ILE 67 -2.359 0.967 -5.488 556 HD13 ILE 67 HD13 ILE 67 -1.870 1.467 -7.107 557 H ASN 68 H ASN 68 2.191 5.099 -7.387 558 HA ASN 68 HA ASN 68 4.148 3.110 -6.630 559 HB2 ASN 68 HB2 ASN 68 5.571 5.374 -6.701 560 HB3 ASN 68 HB3 ASN 68 5.165 4.469 -8.155 561 HD21 ASN 68 HD21 ASN 68 4.361 7.248 -6.215 562 HD22 ASN 68 HD22 ASN 68 3.478 8.104 -7.427 563 H GLU 69 H GLU 69 5.476 3.337 -4.803 564 HA GLU 69 HA GLU 69 4.187 3.904 -2.396 565 HB2 GLU 69 HB2 GLU 69 6.605 3.860 -1.487 566 HB3 GLU 69 HB3 GLU 69 5.962 2.406 -2.244 567 HG2 GLU 69 HG2 GLU 69 7.152 2.796 -4.216 568 HG3 GLU 69 HG3 GLU 69 7.620 4.425 -3.724 569 H THR 70 H THR 70 5.804 5.997 -4.554 570 HA THR 70 HA THR 70 6.426 8.018 -2.615 571 HB THR 70 HB THR 70 7.153 9.321 -4.582 572 HG1 THR 70 HG1 THR 70 6.765 8.573 -6.603 573 HG21 THR 70 HG21 THR 70 8.667 7.702 -3.533 574 HG22 THR 70 HG22 THR 70 8.942 7.801 -5.275 575 HG23 THR 70 HG23 THR 70 8.041 6.445 -4.597 576 H ASP 71 H ASP 71 3.522 7.063 -3.927 577 HA ASP 71 HA ASP 71 2.519 9.793 -4.251 578 HB2 ASP 71 HB2 ASP 71 1.830 7.244 -5.390 579 HB3 ASP 71 HB3 ASP 71 0.411 7.926 -4.606 580 H THR 72 H THR 72 0.516 10.405 -3.151 581 HA THR 72 HA THR 72 0.332 9.168 -0.491 582 HB THR 72 HB THR 72 -0.594 11.519 0.115 583 HG1 THR 72 HG1 THR 72 -0.033 13.162 -1.270 584 HG21 THR 72 HG21 THR 72 1.706 12.374 0.486 585 HG22 THR 72 HG22 THR 72 2.325 11.086 -0.554 586 HG23 THR 72 HG23 THR 72 1.521 10.688 0.965 587 HA PRO 73 HA PRO 73 -3.921 8.226 -1.300 588 HB2 PRO 73 HB2 PRO 73 -5.029 8.594 1.180 589 HB3 PRO 73 HB3 PRO 73 -4.069 7.182 0.738 590 HG2 PRO 73 HG2 PRO 73 -3.239 9.642 2.224 591 HG3 PRO 73 HG3 PRO 73 -2.843 7.946 2.555 592 HD2 PRO 73 HD2 PRO 73 -1.103 9.596 1.356 593 HD3 PRO 73 HD3 PRO 73 -1.207 7.878 0.923 594 H ALA 74 H ALA 74 -2.954 11.307 -0.207 595 HA ALA 74 HA ALA 74 -5.610 12.480 -0.558 596 HB1 ALA 74 HB1 ALA 74 -4.641 14.521 0.315 597 HB2 ALA 74 HB2 ALA 74 -3.034 13.796 0.284 598 HB3 ALA 74 HB3 ALA 74 -4.264 13.164 1.376 599 H GLN 75 H GLN 75 -2.881 11.778 -2.375 600 HA GLN 75 HA GLN 75 -2.917 14.120 -4.026 601 HB2 GLN 75 HB2 GLN 75 -0.900 12.653 -3.573 602 HB3 GLN 75 HB3 GLN 75 -1.628 11.475 -4.655 603 HG2 GLN 75 HG2 GLN 75 -1.476 12.962 -6.503 604 HG3 GLN 75 HG3 GLN 75 -1.001 14.299 -5.459 605 HE21 GLN 75 HE21 GLN 75 0.790 12.651 -3.852 606 HE22 GLN 75 HE22 GLN 75 2.180 12.360 -4.840 607 H LEU 76 H LEU 76 -4.315 10.926 -4.110 608 HA LEU 76 HA LEU 76 -5.607 11.621 -6.644 609 HB2 LEU 76 HB2 LEU 76 -6.203 9.072 -6.636 610 HB3 LEU 76 HB3 LEU 76 -4.630 9.608 -7.166 611 HG LEU 76 HG LEU 76 -4.676 7.520 -5.745 612 HD11 LEU 76 HD11 LEU 76 -3.021 9.814 -4.710 613 HD12 LEU 76 HD12 LEU 76 -2.627 8.779 -6.083 614 HD13 LEU 76 HD13 LEU 76 -2.693 8.099 -4.457 615 HD21 LEU 76 HD21 LEU 76 -5.347 9.496 -3.576 616 HD22 LEU 76 HD22 LEU 76 -4.790 7.850 -3.296 617 HD23 LEU 76 HD23 LEU 76 -6.333 8.134 -4.108 618 H GLU 77 H GLU 77 -6.165 11.854 -3.521 619 HA GLU 77 HA GLU 77 -7.927 11.939 -2.130 620 HB2 GLU 77 HB2 GLU 77 -9.131 12.841 -4.723 621 HB3 GLU 77 HB3 GLU 77 -10.037 12.868 -3.215 622 HG2 GLU 77 HG2 GLU 77 -7.430 14.290 -3.707 623 HG3 GLU 77 HG3 GLU 77 -9.028 15.035 -3.729 624 H MET 78 H MET 78 -7.586 9.441 -2.270 625 HA MET 78 HA MET 78 -9.825 7.981 -3.249 626 HB2 MET 78 HB2 MET 78 -8.900 6.134 -1.785 627 HB3 MET 78 HB3 MET 78 -7.817 6.752 -3.024 628 HG2 MET 78 HG2 MET 78 -6.615 8.044 -1.387 629 HG3 MET 78 HG3 MET 78 -7.766 7.572 -0.137 630 HE1 MET 78 HE1 MET 78 -5.240 6.009 -2.803 631 HE2 MET 78 HE2 MET 78 -6.683 4.996 -2.856 632 HE3 MET 78 HE3 MET 78 -5.178 4.352 -2.205 633 H GLU 79 H GLU 79 -11.074 6.549 -1.646 634 HA GLU 79 HA GLU 79 -12.317 8.362 0.273 635 HB2 GLU 79 HB2 GLU 79 -13.727 7.240 -1.423 636 HB3 GLU 79 HB3 GLU 79 -13.228 5.680 -0.794 637 HG2 GLU 79 HG2 GLU 79 -14.320 6.169 1.322 638 HG3 GLU 79 HG3 GLU 79 -14.789 7.758 0.723 639 H ASP 80 H ASP 80 -12.878 7.548 2.425 640 HA ASP 80 HA ASP 80 -10.683 6.102 3.551 641 HB2 ASP 80 HB2 ASP 80 -11.795 6.406 5.723 642 HB3 ASP 80 HB3 ASP 80 -11.662 7.926 4.846 643 H GLU 81 H GLU 81 -10.581 4.129 4.294 644 HA GLU 81 HA GLU 81 -10.981 1.964 4.653 645 HB2 GLU 81 HB2 GLU 81 -13.922 2.585 4.335 646 HB3 GLU 81 HB3 GLU 81 -13.246 1.090 4.967 647 HG2 GLU 81 HG2 GLU 81 -12.160 2.513 6.764 648 HG3 GLU 81 HG3 GLU 81 -13.189 3.822 6.199 649 H ASP 82 H ASP 82 -10.842 3.343 1.947 650 HA ASP 82 HA ASP 82 -12.137 1.618 0.100 651 HB2 ASP 82 HB2 ASP 82 -10.794 4.015 -0.099 652 HB3 ASP 82 HB3 ASP 82 -9.655 2.888 -0.823 653 H THR 83 H THR 83 -10.539 0.496 -1.624 654 HA THR 83 HA THR 83 -8.595 -1.081 -0.087 655 HB THR 83 HB THR 83 -10.267 -2.515 -2.101 656 HG1 THR 83 HG1 THR 83 -11.744 -1.337 -0.725 657 HG21 THR 83 HG21 THR 83 -9.927 -4.371 -0.514 658 HG22 THR 83 HG22 THR 83 -9.095 -3.272 0.585 659 HG23 THR 83 HG23 THR 83 -8.393 -3.643 -0.992 660 H ILE 84 H ILE 84 -6.944 -2.077 -1.331 661 HA ILE 84 HA ILE 84 -6.617 -1.035 -4.067 662 HB ILE 84 HB ILE 84 -4.510 -1.319 -1.894 663 HG12 ILE 84 HG12 ILE 84 -4.048 1.111 -2.642 664 HG13 ILE 84 HG13 ILE 84 -5.626 1.025 -3.412 665 HG21 ILE 84 HG21 ILE 84 -3.562 -2.191 -3.932 666 HG22 ILE 84 HG22 ILE 84 -2.843 -0.625 -3.554 667 HG23 ILE 84 HG23 ILE 84 -4.068 -0.751 -4.815 668 HD11 ILE 84 HD11 ILE 84 -5.802 2.068 -1.258 669 HD12 ILE 84 HD12 ILE 84 -5.045 0.668 -0.491 670 HD13 ILE 84 HD13 ILE 84 -6.632 0.510 -1.248 671 H ASP 85 H ASP 85 -5.707 -2.505 -5.566 672 HA ASP 85 HA ASP 85 -5.938 -5.307 -4.747 673 HB2 ASP 85 HB2 ASP 85 -7.080 -4.426 -6.806 674 HB3 ASP 85 HB3 ASP 85 -5.467 -4.151 -7.464 675 H VAL 86 H VAL 86 -4.234 -6.636 -4.616 676 HA VAL 86 HA VAL 86 -1.666 -5.606 -5.542 677 HB VAL 86 HB VAL 86 -2.399 -6.935 -2.958 678 HG11 VAL 86 HG11 VAL 86 0.349 -7.094 -4.215 679 HG12 VAL 86 HG12 VAL 86 -0.726 -8.458 -3.899 680 HG13 VAL 86 HG13 VAL 86 -0.051 -7.539 -2.555 681 HG21 VAL 86 HG21 VAL 86 -2.099 -4.531 -3.090 682 HG22 VAL 86 HG22 VAL 86 -0.464 -4.766 -3.715 683 HG23 VAL 86 HG23 VAL 86 -0.866 -5.280 -2.076 684 H PHE 87 H PHE 87 -0.378 -6.901 -6.602 685 HA PHE 87 HA PHE 87 -1.094 -9.702 -6.917 686 HB2 PHE 87 HB2 PHE 87 -0.557 -9.392 -9.444 687 HB3 PHE 87 HB3 PHE 87 -2.156 -8.951 -8.847 688 HD1 PHE 87 HD1 PHE 87 -2.610 -6.505 -8.372 689 HD2 PHE 87 HD2 PHE 87 0.785 -7.836 -10.564 690 HE1 PHE 87 HE1 PHE 87 -2.353 -4.264 -9.302 691 HE2 PHE 87 HE2 PHE 87 1.051 -5.579 -11.515 692 HZ PHE 87 HZ PHE 87 -0.521 -3.789 -10.888 693 H GLN 88 H GLN 88 0.654 -11.017 -7.548 694 HA GLN 88 HA GLN 88 3.249 -9.721 -7.036 695 HB2 GLN 88 HB2 GLN 88 2.804 -12.672 -6.715 696 HB3 GLN 88 HB3 GLN 88 4.036 -11.659 -5.981 697 HG2 GLN 88 HG2 GLN 88 1.880 -10.556 -4.853 698 HG3 GLN 88 HG3 GLN 88 1.235 -12.158 -5.164 699 HE21 GLN 88 HE21 GLN 88 4.575 -11.378 -4.349 700 HE22 GLN 88 HE22 GLN 88 4.588 -12.225 -2.847 701 H GLN 89 H GLN 89 4.255 -9.404 -8.883 702 HA GLN 89 HA GLN 89 4.015 -11.453 -10.952 703 HB2 GLN 89 HB2 GLN 89 4.855 -9.608 -12.487 704 HB3 GLN 89 HB3 GLN 89 3.232 -9.427 -11.840 705 HG2 GLN 89 HG2 GLN 89 3.985 -7.818 -10.237 706 HG3 GLN 89 HG3 GLN 89 5.669 -8.087 -10.690 707 HE21 GLN 89 HE21 GLN 89 2.648 -6.669 -11.614 708 HE22 GLN 89 HE22 GLN 89 3.265 -5.662 -12.869 709 H GLN 90 H GLN 90 5.590 -12.835 -10.227 710 HA GLN 90 HA GLN 90 8.312 -11.792 -10.160 711 HB2 GLN 90 HB2 GLN 90 8.976 -14.005 -9.273 712 HB3 GLN 90 HB3 GLN 90 7.752 -13.238 -8.280 713 HG2 GLN 90 HG2 GLN 90 7.156 -15.375 -10.320 714 HG3 GLN 90 HG3 GLN 90 7.475 -15.701 -8.620 715 HE21 GLN 90 HE21 GLN 90 5.093 -16.186 -10.250 716 HE22 GLN 90 HE22 GLN 90 3.798 -15.385 -9.429 717 H THR 91 H THR 91 9.203 -11.598 -12.063 718 HA THR 91 HA THR 91 9.922 -11.950 -14.152 719 HB THR 91 HB THR 91 10.545 -14.277 -14.848 720 HG1 THR 91 HG1 THR 91 8.895 -14.902 -12.762 721 HG21 THR 91 HG21 THR 91 12.262 -14.592 -13.128 722 HG22 THR 91 HG22 THR 91 11.395 -13.482 -12.066 723 HG23 THR 91 HG23 THR 91 12.096 -12.893 -13.572 724 H GLY 92 H GLY 92 7.415 -11.289 -14.105 725 HA2 GLY 92 HA2 GLY 92 6.397 -11.911 -16.582 726 HA3 GLY 92 HA3 GLY 92 5.663 -13.078 -15.493 727 H GLY 93 H GLY 93 3.602 -12.211 -15.877 728 HA2 GLY 93 HA2 GLY 93 2.550 -10.517 -14.030 729 HA3 GLY 93 HA3 GLY 93 3.033 -9.450 -15.343 Start of MODEL 20 1 H MET 1 H MET 1 -1.732 39.070 11.367 2 HA MET 1 HA MET 1 0.075 40.922 9.940 3 HB2 MET 1 HB2 MET 1 0.250 39.753 12.725 4 HB3 MET 1 HB3 MET 1 1.563 40.598 11.921 5 HG2 MET 1 HG2 MET 1 0.262 42.629 11.851 6 HG3 MET 1 HG3 MET 1 -1.119 41.792 12.559 7 HE1 MET 1 HE1 MET 1 -1.264 43.736 14.364 8 HE2 MET 1 HE2 MET 1 0.158 44.524 13.681 9 HE3 MET 1 HE3 MET 1 0.074 44.203 15.414 10 H ALA 2 H ALA 2 -1.080 37.914 9.808 11 HA ALA 2 HA ALA 2 1.555 36.705 9.401 12 HB1 ALA 2 HB1 ALA 2 0.201 35.577 11.094 13 HB2 ALA 2 HB2 ALA 2 0.474 34.538 9.694 14 HB3 ALA 2 HB3 ALA 2 -1.085 35.338 9.911 15 H ASP 3 H ASP 3 1.774 37.593 7.312 16 HA ASP 3 HA ASP 3 -0.082 36.538 5.296 17 HB2 ASP 3 HB2 ASP 3 0.838 38.207 3.777 18 HB3 ASP 3 HB3 ASP 3 0.308 38.975 5.264 19 H GLU 4 H GLU 4 2.124 35.218 6.769 20 HA GLU 4 HA GLU 4 3.607 34.178 4.449 21 HB2 GLU 4 HB2 GLU 4 4.593 34.578 7.268 22 HB3 GLU 4 HB3 GLU 4 5.431 33.584 6.090 23 HG2 GLU 4 HG2 GLU 4 4.865 36.529 5.821 24 HG3 GLU 4 HG3 GLU 4 6.412 35.807 6.263 25 H LYS 5 H LYS 5 2.608 33.417 7.743 26 HA LYS 5 HA LYS 5 1.924 31.509 8.759 27 HB2 LYS 5 HB2 LYS 5 0.017 32.041 7.210 28 HB3 LYS 5 HB3 LYS 5 0.683 30.878 6.081 29 HG2 LYS 5 HG2 LYS 5 -1.114 29.853 7.293 30 HG3 LYS 5 HG3 LYS 5 0.405 29.110 7.793 31 HD2 LYS 5 HD2 LYS 5 -1.057 29.533 9.713 32 HD3 LYS 5 HD3 LYS 5 0.421 30.490 9.817 33 HE2 LYS 5 HE2 LYS 5 -1.579 31.787 10.439 34 HE3 LYS 5 HE3 LYS 5 -0.768 32.462 9.033 35 HZ1 LYS 5 HZ1 LYS 5 -3.187 30.734 8.959 36 HZ2 LYS 5 HZ2 LYS 5 -2.422 31.421 7.617 37 HZ3 LYS 5 HZ3 LYS 5 -3.166 32.410 8.753 38 HA PRO 6 HA PRO 6 5.260 28.883 6.860 39 HB2 PRO 6 HB2 PRO 6 6.730 28.640 9.121 40 HB3 PRO 6 HB3 PRO 6 6.963 29.957 7.966 41 HG2 PRO 6 HG2 PRO 6 5.485 29.960 10.566 42 HG3 PRO 6 HG3 PRO 6 6.533 31.211 9.874 43 HD2 PRO 6 HD2 PRO 6 3.818 31.344 9.793 44 HD3 PRO 6 HD3 PRO 6 4.852 32.054 8.537 45 H LYS 7 H LYS 7 4.832 26.792 6.795 46 HA LYS 7 HA LYS 7 3.209 25.571 8.869 47 HB2 LYS 7 HB2 LYS 7 4.221 24.339 6.304 48 HB3 LYS 7 HB3 LYS 7 2.924 23.734 7.326 49 HG2 LYS 7 HG2 LYS 7 2.918 26.266 5.714 50 HG3 LYS 7 HG3 LYS 7 2.058 24.773 5.339 51 HD2 LYS 7 HD2 LYS 7 0.711 25.019 7.339 52 HD3 LYS 7 HD3 LYS 7 1.620 26.465 7.794 53 HE2 LYS 7 HE2 LYS 7 -0.434 27.152 6.777 54 HE3 LYS 7 HE3 LYS 7 0.911 27.513 5.691 55 HZ1 LYS 7 HZ1 LYS 7 0.378 25.587 4.386 56 HZ2 LYS 7 HZ2 LYS 7 -1.005 26.552 4.535 57 HZ3 LYS 7 HZ3 LYS 7 -0.852 25.142 5.461 58 H GLU 8 H GLU 8 6.411 26.036 8.511 59 HA GLU 8 HA GLU 8 7.326 23.413 9.264 60 HB2 GLU 8 HB2 GLU 8 8.697 25.000 7.899 61 HB3 GLU 8 HB3 GLU 8 8.852 26.017 9.326 62 HG2 GLU 8 HG2 GLU 8 9.887 24.066 10.496 63 HG3 GLU 8 HG3 GLU 8 9.892 23.223 8.950 64 H GLY 9 H GLY 9 6.877 22.716 11.205 65 HA2 GLY 9 HA2 GLY 9 7.713 22.970 13.564 66 HA3 GLY 9 HA3 GLY 9 7.034 24.595 13.479 67 H VAL 10 H VAL 10 6.000 21.302 12.710 68 HA VAL 10 HA VAL 10 3.271 21.805 13.137 69 HB VAL 10 HB VAL 10 4.719 19.155 13.218 70 HG11 VAL 10 HG11 VAL 10 2.490 19.065 14.220 71 HG12 VAL 10 HG12 VAL 10 2.546 18.179 12.694 72 HG13 VAL 10 HG13 VAL 10 1.803 19.777 12.760 73 HG21 VAL 10 HG21 VAL 10 4.041 18.960 10.863 74 HG22 VAL 10 HG22 VAL 10 5.113 20.335 11.128 75 HG23 VAL 10 HG23 VAL 10 3.381 20.595 10.927 76 H LYS 11 H LYS 11 2.312 22.217 14.964 77 HA LYS 11 HA LYS 11 3.113 20.753 17.364 78 HB2 LYS 11 HB2 LYS 11 3.942 23.171 17.293 79 HB3 LYS 11 HB3 LYS 11 2.253 23.643 17.367 80 HG2 LYS 11 HG2 LYS 11 3.400 21.826 19.447 81 HG3 LYS 11 HG3 LYS 11 3.676 23.561 19.539 82 HD2 LYS 11 HD2 LYS 11 0.952 22.272 19.370 83 HD3 LYS 11 HD3 LYS 11 1.727 22.758 20.877 84 HE2 LYS 11 HE2 LYS 11 0.973 24.582 18.586 85 HE3 LYS 11 HE3 LYS 11 0.140 24.448 20.131 86 HZ1 LYS 11 HZ1 LYS 11 2.914 25.411 19.716 87 HZ2 LYS 11 HZ2 LYS 11 2.183 25.220 21.222 88 HZ3 LYS 11 HZ3 LYS 11 1.578 26.352 20.130 89 H THR 12 H THR 12 1.455 19.699 18.197 90 HA THR 12 HA THR 12 -0.614 18.916 18.598 91 HB THR 12 HB THR 12 -1.542 21.687 17.877 92 HG1 THR 12 HG1 THR 12 -1.390 22.104 20.049 93 HG21 THR 12 HG21 THR 12 -3.315 20.007 17.732 94 HG22 THR 12 HG22 THR 12 -3.581 21.104 19.091 95 HG23 THR 12 HG23 THR 12 -2.939 19.481 19.371 96 H GLU 13 H GLU 13 -1.253 17.427 17.258 97 HA GLU 13 HA GLU 13 -2.240 18.186 14.600 98 HB2 GLU 13 HB2 GLU 13 -1.157 15.584 15.692 99 HB3 GLU 13 HB3 GLU 13 -2.054 15.665 14.183 100 HG2 GLU 13 HG2 GLU 13 0.365 17.358 14.647 101 HG3 GLU 13 HG3 GLU 13 0.508 15.687 14.096 102 H ASN 14 H ASN 14 -4.289 17.286 13.932 103 HA ASN 14 HA ASN 14 -6.070 16.775 16.181 104 HB2 ASN 14 HB2 ASN 14 -7.860 17.174 14.591 105 HB3 ASN 14 HB3 ASN 14 -6.690 18.488 14.494 106 HD21 ASN 14 HD21 ASN 14 -8.670 17.464 12.548 107 HD22 ASN 14 HD22 ASN 14 -7.761 17.111 11.121 108 H ASN 15 H ASN 15 -4.252 15.209 13.951 109 HA ASN 15 HA ASN 15 -3.934 13.038 13.422 110 HB2 ASN 15 HB2 ASN 15 -6.112 12.606 15.460 111 HB3 ASN 15 HB3 ASN 15 -5.351 11.276 14.590 112 HD21 ASN 15 HD21 ASN 15 -4.904 13.784 16.956 113 HD22 ASN 15 HD22 ASN 15 -3.397 13.205 17.564 114 H ASP 16 H ASP 16 -5.283 14.597 11.732 115 HA ASP 16 HA ASP 16 -7.675 13.348 10.735 116 HB2 ASP 16 HB2 ASP 16 -6.730 15.799 10.347 117 HB3 ASP 16 HB3 ASP 16 -5.901 14.995 9.011 118 H HIS 17 H HIS 17 -7.559 11.310 9.825 119 HA HIS 17 HA HIS 17 -5.793 10.880 7.694 120 HB2 HIS 17 HB2 HIS 17 -4.570 9.024 8.614 121 HB3 HIS 17 HB3 HIS 17 -4.252 10.449 9.589 122 HD1 HIS 17 HD1 HIS 17 -5.823 10.489 11.910 123 HD2 HIS 17 HD2 HIS 17 -5.220 6.869 10.007 124 HE1 HIS 17 HE1 HIS 17 -6.266 8.739 13.648 125 HE2 HIS 17 HE2 HIS 17 -5.513 6.619 12.568 126 H ILE 18 H ILE 18 -6.192 8.712 6.801 127 HA ILE 18 HA ILE 18 -8.928 7.871 7.491 128 HB ILE 18 HB ILE 18 -9.268 7.264 5.124 129 HG12 ILE 18 HG12 ILE 18 -6.690 8.784 4.635 130 HG13 ILE 18 HG13 ILE 18 -6.851 7.032 4.533 131 HG21 ILE 18 HG21 ILE 18 -9.539 9.581 4.306 132 HG22 ILE 18 HG22 ILE 18 -8.563 10.144 5.665 133 HG23 ILE 18 HG23 ILE 18 -10.118 9.365 5.960 134 HD11 ILE 18 HD11 ILE 18 -6.894 8.043 2.337 135 HD12 ILE 18 HD12 ILE 18 -8.256 9.059 2.807 136 HD13 ILE 18 HD13 ILE 18 -8.456 7.309 2.699 137 H ASN 19 H ASN 19 -9.490 5.668 6.687 138 HA ASN 19 HA ASN 19 -7.405 3.764 7.414 139 HB2 ASN 19 HB2 ASN 19 -10.294 3.173 6.758 140 HB3 ASN 19 HB3 ASN 19 -9.176 2.171 7.667 141 HD21 ASN 19 HD21 ASN 19 -11.288 4.916 7.749 142 HD22 ASN 19 HD22 ASN 19 -11.304 5.108 9.461 143 H LEU 20 H LEU 20 -6.658 2.261 5.967 144 HA LEU 20 HA LEU 20 -7.915 2.160 3.309 145 HB2 LEU 20 HB2 LEU 20 -5.152 2.901 3.971 146 HB3 LEU 20 HB3 LEU 20 -5.279 1.654 2.745 147 HG LEU 20 HG LEU 20 -5.118 3.717 1.603 148 HD11 LEU 20 HD11 LEU 20 -8.049 3.031 1.625 149 HD12 LEU 20 HD12 LEU 20 -6.812 2.129 0.756 150 HD13 LEU 20 HD13 LEU 20 -7.138 3.808 0.332 151 HD21 LEU 20 HD21 LEU 20 -6.612 5.604 2.015 152 HD22 LEU 20 HD22 LEU 20 -5.657 5.203 3.444 153 HD23 LEU 20 HD23 LEU 20 -7.350 4.726 3.354 154 H LYS 21 H LYS 21 -7.436 0.205 2.127 155 HA LYS 21 HA LYS 21 -6.594 -2.038 3.819 156 HB2 LYS 21 HB2 LYS 21 -9.024 -1.909 2.059 157 HB3 LYS 21 HB3 LYS 21 -8.415 -3.379 2.801 158 HG2 LYS 21 HG2 LYS 21 -8.908 -2.610 4.955 159 HG3 LYS 21 HG3 LYS 21 -9.218 -0.971 4.376 160 HD2 LYS 21 HD2 LYS 21 -11.318 -2.113 4.850 161 HD3 LYS 21 HD3 LYS 21 -11.163 -1.796 3.122 162 HE2 LYS 21 HE2 LYS 21 -10.428 -4.103 2.771 163 HE3 LYS 21 HE3 LYS 21 -10.591 -4.419 4.499 164 HZ1 LYS 21 HZ1 LYS 21 -12.961 -3.932 4.304 165 HZ2 LYS 21 HZ2 LYS 21 -12.517 -5.201 3.287 166 HZ3 LYS 21 HZ3 LYS 21 -12.783 -3.661 2.650 167 H VAL 22 H VAL 22 -5.674 -3.733 2.703 168 HA VAL 22 HA VAL 22 -5.267 -3.305 -0.175 169 HB VAL 22 HB VAL 22 -3.132 -4.233 1.765 170 HG11 VAL 22 HG11 VAL 22 -3.056 -3.968 -1.224 171 HG12 VAL 22 HG12 VAL 22 -3.041 -5.477 -0.310 172 HG13 VAL 22 HG13 VAL 22 -1.685 -4.354 -0.184 173 HG21 VAL 22 HG21 VAL 22 -1.944 -2.239 1.147 174 HG22 VAL 22 HG22 VAL 22 -3.566 -1.765 1.658 175 HG23 VAL 22 HG23 VAL 22 -3.167 -1.831 -0.054 176 H ALA 23 H ALA 23 -6.072 -4.879 -1.253 177 HA ALA 23 HA ALA 23 -6.513 -7.469 0.012 178 HB1 ALA 23 HB1 ALA 23 -8.411 -6.424 -1.122 179 HB2 ALA 23 HB2 ALA 23 -7.954 -7.946 -1.886 180 HB3 ALA 23 HB3 ALA 23 -7.501 -6.415 -2.635 181 H GLY 24 H GLY 24 -5.270 -9.116 -0.393 182 HA2 GLY 24 HA2 GLY 24 -3.143 -8.793 -2.344 183 HA3 GLY 24 HA3 GLY 24 -3.230 -10.034 -1.102 184 H GLN 25 H GLN 25 -2.620 -10.559 -3.785 185 HA GLN 25 HA GLN 25 -4.864 -11.474 -5.251 186 HB2 GLN 25 HB2 GLN 25 -3.215 -12.748 -6.602 187 HB3 GLN 25 HB3 GLN 25 -2.796 -11.056 -6.409 188 HG2 GLN 25 HG2 GLN 25 -0.776 -12.116 -6.115 189 HG3 GLN 25 HG3 GLN 25 -1.322 -11.885 -4.456 190 HE21 GLN 25 HE21 GLN 25 -0.202 -13.567 -3.584 191 HE22 GLN 25 HE22 GLN 25 -0.523 -15.225 -3.949 192 H ASP 26 H ASP 26 -3.449 -12.657 -2.475 193 HA ASP 26 HA ASP 26 -4.062 -15.443 -2.831 194 HB2 ASP 26 HB2 ASP 26 -2.223 -14.871 -1.383 195 HB3 ASP 26 HB3 ASP 26 -3.244 -13.807 -0.422 196 H GLY 27 H GLY 27 -5.793 -12.635 -2.001 197 HA2 GLY 27 HA2 GLY 27 -8.165 -12.642 -1.850 198 HA3 GLY 27 HA3 GLY 27 -8.095 -14.287 -1.240 199 H SER 28 H SER 28 -5.823 -12.276 0.209 200 HA SER 28 HA SER 28 -7.510 -12.041 2.592 201 HB2 SER 28 HB2 SER 28 -5.488 -13.369 2.939 202 HB3 SER 28 HB3 SER 28 -4.495 -12.055 2.306 203 HG SER 28 HG SER 28 -4.456 -11.271 4.231 204 H VAL 29 H VAL 29 -7.319 -10.090 3.817 205 HA VAL 29 HA VAL 29 -6.262 -7.839 2.300 206 HB VAL 29 HB VAL 29 -8.687 -8.073 1.746 207 HG11 VAL 29 HG11 VAL 29 -9.092 -7.367 4.648 208 HG12 VAL 29 HG12 VAL 29 -9.547 -8.880 3.861 209 HG13 VAL 29 HG13 VAL 29 -10.359 -7.375 3.423 210 HG21 VAL 29 HG21 VAL 29 -7.598 -5.928 1.501 211 HG22 VAL 29 HG22 VAL 29 -7.883 -5.558 3.201 212 HG23 VAL 29 HG23 VAL 29 -9.245 -5.689 2.086 213 H VAL 30 H VAL 30 -5.421 -6.218 3.533 214 HA VAL 30 HA VAL 30 -5.608 -6.567 6.434 215 HB VAL 30 HB VAL 30 -3.330 -6.755 5.512 216 HG11 VAL 30 HG11 VAL 30 -3.701 -3.913 4.587 217 HG12 VAL 30 HG12 VAL 30 -3.622 -5.334 3.550 218 HG13 VAL 30 HG13 VAL 30 -2.211 -4.853 4.494 219 HG21 VAL 30 HG21 VAL 30 -3.867 -4.312 7.192 220 HG22 VAL 30 HG22 VAL 30 -2.256 -4.956 6.902 221 HG23 VAL 30 HG23 VAL 30 -3.455 -5.938 7.749 222 H GLN 31 H GLN 31 -6.258 -4.863 7.722 223 HA GLN 31 HA GLN 31 -7.132 -2.431 6.327 224 HB2 GLN 31 HB2 GLN 31 -8.108 -3.326 9.004 225 HB3 GLN 31 HB3 GLN 31 -8.880 -2.240 7.861 226 HG2 GLN 31 HG2 GLN 31 -9.188 -4.145 6.313 227 HG3 GLN 31 HG3 GLN 31 -8.552 -5.211 7.561 228 HE21 GLN 31 HE21 GLN 31 -11.187 -3.243 6.551 229 HE22 GLN 31 HE22 GLN 31 -12.317 -3.846 7.700 230 H PHE 32 H PHE 32 -6.105 -0.642 6.848 231 HA PHE 32 HA PHE 32 -4.654 -0.416 9.371 232 HB2 PHE 32 HB2 PHE 32 -2.564 0.246 8.153 233 HB3 PHE 32 HB3 PHE 32 -2.998 -1.450 7.971 234 HD1 PHE 32 HD1 PHE 32 -4.160 -2.173 5.862 235 HD2 PHE 32 HD2 PHE 32 -2.320 1.638 6.282 236 HE1 PHE 32 HE1 PHE 32 -4.155 -1.923 3.432 237 HE2 PHE 32 HE2 PHE 32 -2.305 1.900 3.852 238 HZ PHE 32 HZ PHE 32 -3.219 0.120 2.414 239 H LYS 33 H LYS 33 -3.619 1.751 9.552 240 HA LYS 33 HA LYS 33 -5.424 3.796 8.446 241 HB2 LYS 33 HB2 LYS 33 -3.694 3.794 10.926 242 HB3 LYS 33 HB3 LYS 33 -4.637 5.163 10.382 243 HG2 LYS 33 HG2 LYS 33 -6.055 2.611 10.775 244 HG3 LYS 33 HG3 LYS 33 -5.489 3.455 12.220 245 HD2 LYS 33 HD2 LYS 33 -6.631 5.504 11.008 246 HD3 LYS 33 HD3 LYS 33 -7.549 4.216 10.216 247 HE2 LYS 33 HE2 LYS 33 -8.003 3.289 12.507 248 HE3 LYS 33 HE3 LYS 33 -7.286 4.769 13.147 249 HZ1 LYS 33 HZ1 LYS 33 -9.718 4.873 13.033 250 HZ2 LYS 33 HZ2 LYS 33 -9.651 4.678 11.355 251 HZ3 LYS 33 HZ3 LYS 33 -8.991 6.055 12.072 252 H ILE 34 H ILE 34 -4.599 5.602 7.425 253 HA ILE 34 HA ILE 34 -1.741 6.081 7.474 254 HB ILE 34 HB ILE 34 -2.003 4.564 5.546 255 HG12 ILE 34 HG12 ILE 34 -1.514 7.401 4.606 256 HG13 ILE 34 HG13 ILE 34 -0.338 6.429 5.481 257 HG21 ILE 34 HG21 ILE 34 -4.319 5.004 5.015 258 HG22 ILE 34 HG22 ILE 34 -3.309 5.240 3.587 259 HG23 ILE 34 HG23 ILE 34 -3.913 6.635 4.484 260 HD11 ILE 34 HD11 ILE 34 -1.502 5.761 2.784 261 HD12 ILE 34 HD12 ILE 34 -0.285 4.826 3.656 262 HD13 ILE 34 HD13 ILE 34 0.094 6.449 3.085 263 H LYS 35 H LYS 35 -1.205 8.248 7.046 264 HA LYS 35 HA LYS 35 -3.438 10.061 7.363 265 HB2 LYS 35 HB2 LYS 35 -0.535 10.810 7.137 266 HB3 LYS 35 HB3 LYS 35 -1.836 11.751 7.860 267 HG2 LYS 35 HG2 LYS 35 -2.016 9.656 9.445 268 HG3 LYS 35 HG3 LYS 35 -0.349 9.422 8.942 269 HD2 LYS 35 HD2 LYS 35 -1.406 11.986 10.148 270 HD3 LYS 35 HD3 LYS 35 -0.591 10.722 11.063 271 HE2 LYS 35 HE2 LYS 35 1.115 12.244 10.632 272 HE3 LYS 35 HE3 LYS 35 1.331 11.045 9.363 273 HZ1 LYS 35 HZ1 LYS 35 1.488 13.347 8.570 274 HZ2 LYS 35 HZ2 LYS 35 -0.114 13.618 9.022 275 HZ3 LYS 35 HZ3 LYS 35 0.246 12.496 7.808 276 H ARG 36 H ARG 36 -3.646 11.988 6.063 277 HA ARG 36 HA ARG 36 -3.819 11.337 3.331 278 HB2 ARG 36 HB2 ARG 36 -3.923 14.126 4.463 279 HB3 ARG 36 HB3 ARG 36 -4.688 13.541 3.001 280 HG2 ARG 36 HG2 ARG 36 -5.458 13.023 5.850 281 HG3 ARG 36 HG3 ARG 36 -6.412 13.773 4.571 282 HD2 ARG 36 HD2 ARG 36 -5.634 10.871 4.830 283 HD3 ARG 36 HD3 ARG 36 -7.249 11.549 4.964 284 HE ARG 36 HE ARG 36 -5.714 11.111 2.517 285 HH11 ARG 36 HH11 ARG 36 -8.674 12.306 3.985 286 HH12 ARG 36 HH12 ARG 36 -9.592 12.193 2.520 287 HH21 ARG 36 HH21 ARG 36 -6.963 10.947 0.561 288 HH22 ARG 36 HH22 ARG 36 -8.628 11.417 0.596 289 H HIS 37 H HIS 37 -1.466 13.182 5.179 290 HA HIS 37 HA HIS 37 0.013 13.913 2.770 291 HB2 HIS 37 HB2 HIS 37 -0.334 15.537 4.674 292 HB3 HIS 37 HB3 HIS 37 0.686 14.507 5.666 293 HD1 HIS 37 HD1 HIS 37 3.090 15.154 5.696 294 HD2 HIS 37 HD2 HIS 37 1.167 16.505 2.269 295 HE1 HIS 37 HE1 HIS 37 4.795 16.518 4.459 296 HE2 HIS 37 HE2 HIS 37 3.560 17.459 2.479 297 H THR 38 H THR 38 -0.262 11.182 4.361 298 HA THR 38 HA THR 38 2.559 10.621 4.700 299 HB THR 38 HB THR 38 0.075 9.120 5.533 300 HG1 THR 38 HG1 THR 38 2.304 10.185 6.947 301 HG21 THR 38 HG21 THR 38 2.953 8.199 5.744 302 HG22 THR 38 HG22 THR 38 1.733 7.498 4.684 303 HG23 THR 38 HG23 THR 38 1.547 7.382 6.439 304 HA PRO 39 HA PRO 39 2.765 8.852 0.648 305 HB2 PRO 39 HB2 PRO 39 5.159 7.608 0.949 306 HB3 PRO 39 HB3 PRO 39 5.002 9.350 0.677 307 HG2 PRO 39 HG2 PRO 39 5.445 7.843 3.223 308 HG3 PRO 39 HG3 PRO 39 6.190 9.354 2.672 309 HD2 PRO 39 HD2 PRO 39 4.179 9.301 4.464 310 HD3 PRO 39 HD3 PRO 39 4.368 10.622 3.298 311 H LEU 40 H LEU 40 2.398 6.925 -0.386 312 HA LEU 40 HA LEU 40 1.303 4.758 0.907 313 HB2 LEU 40 HB2 LEU 40 2.273 5.390 -1.815 314 HB3 LEU 40 HB3 LEU 40 1.973 3.706 -1.438 315 HG LEU 40 HG LEU 40 -0.302 4.099 -1.048 316 HD11 LEU 40 HD11 LEU 40 -1.364 6.284 -1.099 317 HD12 LEU 40 HD12 LEU 40 0.228 7.036 -1.230 318 HD13 LEU 40 HD13 LEU 40 -0.204 6.124 0.218 319 HD21 LEU 40 HD21 LEU 40 -1.079 5.023 -3.161 320 HD22 LEU 40 HD22 LEU 40 0.319 3.971 -3.388 321 HD23 LEU 40 HD23 LEU 40 0.517 5.723 -3.431 322 H SER 41 H SER 41 4.591 5.532 0.619 323 HA SER 41 HA SER 41 5.850 3.078 0.348 324 HB2 SER 41 HB2 SER 41 6.918 5.395 0.497 325 HB3 SER 41 HB3 SER 41 6.778 5.244 2.247 326 HG SER 41 HG SER 41 8.443 3.933 0.442 327 HH31 ALY 42 HH31 ALY 42 -1.383 1.660 9.670 328 HH32 ALY 42 HH32 ALY 42 -0.272 0.775 10.737 329 HH33 ALY 42 HH33 ALY 42 -0.419 0.341 9.022 330 HZ ALY 42 HZ ALY 42 -0.162 2.517 7.641 331 HE3 ALY 42 HE3 ALY 42 1.693 4.438 8.169 332 HE2 ALY 42 HE2 ALY 42 2.641 2.997 7.806 333 HD3 ALY 42 HD3 ALY 42 1.486 2.803 5.640 334 HD2 ALY 42 HD2 ALY 42 0.572 4.266 6.011 335 HG3 ALY 42 HG3 ALY 42 2.463 4.744 4.520 336 HG2 ALY 42 HG2 ALY 42 2.653 5.559 6.066 337 HB3 ALY 42 HB3 ALY 42 4.759 4.723 5.736 338 HB2 ALY 42 HB2 ALY 42 4.044 3.438 6.682 339 HCA ALY 42 HCA ALY 42 5.271 2.386 4.939 340 H ALY 42 H ALY 42 4.447 4.541 3.271 341 H LEU 43 H LEU 43 2.451 3.150 3.048 342 HA LEU 43 HA LEU 43 0.680 1.201 4.011 343 HB2 LEU 43 HB2 LEU 43 -0.095 3.014 2.613 344 HB3 LEU 43 HB3 LEU 43 0.923 2.513 1.286 345 HG LEU 43 HG LEU 43 -1.270 0.714 2.288 346 HD11 LEU 43 HD11 LEU 43 -2.767 1.712 0.657 347 HD12 LEU 43 HD12 LEU 43 -1.548 2.924 0.261 348 HD13 LEU 43 HD13 LEU 43 -2.281 2.899 1.869 349 HD21 LEU 43 HD21 LEU 43 0.336 -0.221 0.696 350 HD22 LEU 43 HD22 LEU 43 0.011 1.105 -0.420 351 HD23 LEU 43 HD23 LEU 43 -1.259 -0.058 -0.040 352 H MET 44 H MET 44 2.896 1.125 1.251 353 HA MET 44 HA MET 44 2.401 -1.497 0.447 354 HB2 MET 44 HB2 MET 44 4.678 0.398 0.094 355 HB3 MET 44 HB3 MET 44 4.894 -1.282 -0.370 356 HG2 MET 44 HG2 MET 44 3.247 -1.175 -1.996 357 HG3 MET 44 HG3 MET 44 2.570 0.328 -1.401 358 HE1 MET 44 HE1 MET 44 2.557 1.483 -3.711 359 HE2 MET 44 HE2 MET 44 3.080 -0.037 -4.439 360 HE3 MET 44 HE3 MET 44 3.908 1.470 -4.844 361 H LYS 45 H LYS 45 4.921 -0.261 2.640 362 HA LYS 45 HA LYS 45 6.028 -2.797 3.124 363 HB2 LYS 45 HB2 LYS 45 7.312 -0.779 3.554 364 HB3 LYS 45 HB3 LYS 45 6.169 -0.283 4.794 365 HG2 LYS 45 HG2 LYS 45 8.274 -1.218 5.696 366 HG3 LYS 45 HG3 LYS 45 6.838 -2.096 6.228 367 HD2 LYS 45 HD2 LYS 45 8.434 -3.748 5.679 368 HD3 LYS 45 HD3 LYS 45 7.320 -3.716 4.317 369 HE2 LYS 45 HE2 LYS 45 9.536 -3.836 3.442 370 HE3 LYS 45 HE3 LYS 45 8.938 -2.207 3.145 371 HZ1 LYS 45 HZ1 LYS 45 10.687 -2.961 5.413 372 HZ2 LYS 45 HZ2 LYS 45 10.209 -1.394 4.983 373 HZ3 LYS 45 HZ3 LYS 45 11.231 -2.277 3.970 374 H ALA 46 H ALA 46 3.440 -1.028 4.755 375 HA ALA 46 HA ALA 46 3.303 -2.630 7.074 376 HB1 ALA 46 HB1 ALA 46 1.061 -1.757 7.376 377 HB2 ALA 46 HB2 ALA 46 1.037 -1.187 5.707 378 HB3 ALA 46 HB3 ALA 46 2.159 -0.471 6.869 379 H TYR 47 H TYR 47 1.530 -2.879 3.984 380 HA TYR 47 HA TYR 47 0.096 -5.194 4.674 381 HB2 TYR 47 HB2 TYR 47 -0.720 -4.037 2.805 382 HB3 TYR 47 HB3 TYR 47 0.866 -3.932 2.050 383 HD1 TYR 47 HD1 TYR 47 -1.970 -6.167 2.771 384 HD2 TYR 47 HD2 TYR 47 1.684 -5.700 0.658 385 HE1 TYR 47 HE1 TYR 47 -2.488 -8.169 1.465 386 HE2 TYR 47 HE2 TYR 47 1.180 -7.703 -0.670 387 HH TYR 47 HH TYR 47 -0.168 -9.731 -0.483 388 H CYS 48 H CYS 48 3.216 -4.715 3.218 389 HA CYS 48 HA CYS 48 3.712 -7.384 2.430 390 HB2 CYS 48 HB2 CYS 48 5.667 -5.183 3.086 391 HB3 CYS 48 HB3 CYS 48 6.111 -6.718 2.341 392 HG CYS 48 HG CYS 48 4.147 -4.272 1.012 393 H GLU 49 H GLU 49 4.283 -5.712 5.434 394 HA GLU 49 HA GLU 49 5.793 -7.799 6.652 395 HB2 GLU 49 HB2 GLU 49 4.231 -5.550 7.912 396 HB3 GLU 49 HB3 GLU 49 5.451 -6.535 8.711 397 HG2 GLU 49 HG2 GLU 49 5.999 -4.863 6.290 398 HG3 GLU 49 HG3 GLU 49 6.202 -4.267 7.926 399 H ARG 50 H ARG 50 2.395 -6.934 6.525 400 HA ARG 50 HA ARG 50 1.497 -8.769 8.516 401 HB2 ARG 50 HB2 ARG 50 0.002 -7.522 6.210 402 HB3 ARG 50 HB3 ARG 50 -0.743 -8.380 7.549 403 HG2 ARG 50 HG2 ARG 50 0.889 -5.873 7.799 404 HG3 ARG 50 HG3 ARG 50 -0.872 -5.948 7.765 405 HD2 ARG 50 HD2 ARG 50 0.889 -7.299 9.803 406 HD3 ARG 50 HD3 ARG 50 0.029 -5.785 10.050 407 HE ARG 50 HE ARG 50 -1.150 -8.461 9.840 408 HH11 ARG 50 HH11 ARG 50 -1.594 -5.011 10.383 409 HH12 ARG 50 HH12 ARG 50 -3.171 -5.198 11.065 410 HH21 ARG 50 HH21 ARG 50 -3.241 -8.693 10.762 411 HH22 ARG 50 HH22 ARG 50 -4.107 -7.292 11.281 412 H GLN 51 H GLN 51 1.554 -8.882 4.995 413 HA GLN 51 HA GLN 51 0.480 -11.554 4.964 414 HB2 GLN 51 HB2 GLN 51 1.000 -9.473 3.000 415 HB3 GLN 51 HB3 GLN 51 1.421 -11.075 2.414 416 HG2 GLN 51 HG2 GLN 51 -0.856 -10.480 1.815 417 HG3 GLN 51 HG3 GLN 51 -0.821 -11.872 2.893 418 HE21 GLN 51 HE21 GLN 51 -0.365 -8.570 3.984 419 HE22 GLN 51 HE22 GLN 51 -1.857 -8.458 4.852 420 H GLY 52 H GLY 52 3.617 -10.211 5.162 421 HA2 GLY 52 HA2 GLY 52 5.625 -11.308 5.447 422 HA3 GLY 52 HA3 GLY 52 4.760 -12.833 5.299 423 H LEU 53 H LEU 53 5.539 -10.060 3.228 424 HA LEU 53 HA LEU 53 6.706 -11.852 1.314 425 HB2 LEU 53 HB2 LEU 53 5.280 -10.943 -0.579 426 HB3 LEU 53 HB3 LEU 53 4.533 -12.107 0.488 427 HG LEU 53 HG LEU 53 3.448 -10.148 1.672 428 HD11 LEU 53 HD11 LEU 53 4.930 -8.401 0.886 429 HD12 LEU 53 HD12 LEU 53 3.261 -8.070 0.414 430 HD13 LEU 53 HD13 LEU 53 4.413 -8.691 -0.773 431 HD21 LEU 53 HD21 LEU 53 1.706 -9.915 -0.027 432 HD22 LEU 53 HD22 LEU 53 2.235 -11.589 0.133 433 HD23 LEU 53 HD23 LEU 53 2.788 -10.616 -1.231 434 H SER 54 H SER 54 7.419 -10.520 -0.707 435 HA SER 54 HA SER 54 8.834 -8.205 0.376 436 HB2 SER 54 HB2 SER 54 9.256 -9.912 -2.072 437 HB3 SER 54 HB3 SER 54 10.244 -8.508 -1.693 438 HG SER 54 HG SER 54 10.010 -10.195 0.438 439 H MET 55 H MET 55 8.401 -6.158 -0.272 440 HA MET 55 HA MET 55 6.162 -5.570 -1.895 441 HB2 MET 55 HB2 MET 55 6.939 -3.194 -1.800 442 HB3 MET 55 HB3 MET 55 6.770 -3.966 -0.232 443 HG2 MET 55 HG2 MET 55 9.071 -4.078 0.097 444 HG3 MET 55 HG3 MET 55 9.422 -3.830 -1.615 445 HE1 MET 55 HE1 MET 55 6.708 -1.719 0.265 446 HE2 MET 55 HE2 MET 55 7.689 -0.474 1.038 447 HE3 MET 55 HE3 MET 55 7.818 -2.155 1.558 448 H ARG 56 H ARG 56 9.499 -6.045 -2.659 449 HA ARG 56 HA ARG 56 9.403 -4.762 -5.223 450 HB2 ARG 56 HB2 ARG 56 11.614 -5.591 -5.552 451 HB3 ARG 56 HB3 ARG 56 11.500 -5.145 -3.859 452 HG2 ARG 56 HG2 ARG 56 11.103 -7.541 -3.315 453 HG3 ARG 56 HG3 ARG 56 11.392 -7.921 -5.010 454 HD2 ARG 56 HD2 ARG 56 13.451 -8.301 -3.979 455 HD3 ARG 56 HD3 ARG 56 13.614 -6.709 -4.717 456 HE ARG 56 HE ARG 56 12.908 -6.991 -1.875 457 HH11 ARG 56 HH11 ARG 56 15.041 -5.740 -4.373 458 HH12 ARG 56 HH12 ARG 56 15.977 -4.794 -3.274 459 HH21 ARG 56 HH21 ARG 56 14.154 -5.745 -0.418 460 HH22 ARG 56 HH22 ARG 56 15.467 -4.793 -1.007 461 H GLN 57 H GLN 57 8.172 -7.629 -4.015 462 HA GLN 57 HA GLN 57 8.258 -8.997 -6.616 463 HB2 GLN 57 HB2 GLN 57 7.481 -10.018 -3.891 464 HB3 GLN 57 HB3 GLN 57 7.530 -10.973 -5.365 465 HG2 GLN 57 HG2 GLN 57 9.890 -9.587 -4.148 466 HG3 GLN 57 HG3 GLN 57 9.477 -11.283 -3.904 467 HE21 GLN 57 HE21 GLN 57 10.547 -8.897 -6.203 468 HE22 GLN 57 HE22 GLN 57 11.194 -10.009 -7.339 469 H ILE 58 H ILE 58 6.332 -6.815 -5.235 470 HA ILE 58 HA ILE 58 3.940 -8.032 -6.364 471 HB ILE 58 HB ILE 58 2.581 -7.106 -4.473 472 HG12 ILE 58 HG12 ILE 58 5.165 -7.056 -2.950 473 HG13 ILE 58 HG13 ILE 58 4.497 -5.612 -3.698 474 HG21 ILE 58 HG21 ILE 58 4.576 -9.199 -3.644 475 HG22 ILE 58 HG22 ILE 58 3.179 -9.491 -4.672 476 HG23 ILE 58 HG23 ILE 58 2.947 -8.970 -3.002 477 HD11 ILE 58 HD11 ILE 58 2.495 -5.819 -2.347 478 HD12 ILE 58 HD12 ILE 58 3.934 -5.774 -1.327 479 HD13 ILE 58 HD13 ILE 58 3.117 -7.307 -1.639 480 H ARG 59 H ARG 59 2.170 -6.342 -6.359 481 HA ARG 59 HA ARG 59 3.159 -3.650 -6.747 482 HB2 ARG 59 HB2 ARG 59 1.926 -5.269 -8.960 483 HB3 ARG 59 HB3 ARG 59 1.929 -3.514 -8.970 484 HG2 ARG 59 HG2 ARG 59 4.360 -5.286 -8.894 485 HG3 ARG 59 HG3 ARG 59 3.755 -4.409 -10.301 486 HD2 ARG 59 HD2 ARG 59 4.571 -3.065 -7.731 487 HD3 ARG 59 HD3 ARG 59 5.667 -3.320 -9.062 488 HE ARG 59 HE ARG 59 3.555 -2.046 -10.191 489 HH11 ARG 59 HH11 ARG 59 5.643 -1.362 -7.451 490 HH12 ARG 59 HH12 ARG 59 5.621 0.349 -7.690 491 HH21 ARG 59 HH21 ARG 59 3.526 0.242 -10.517 492 HH22 ARG 59 HH22 ARG 59 4.408 1.265 -9.439 493 H PHE 60 H PHE 60 1.632 -2.070 -6.720 494 HA PHE 60 HA PHE 60 -0.939 -2.942 -5.561 495 HB2 PHE 60 HB2 PHE 60 0.697 -0.447 -4.968 496 HB3 PHE 60 HB3 PHE 60 -0.936 -0.715 -4.390 497 HD1 PHE 60 HD1 PHE 60 2.345 -2.486 -4.441 498 HD2 PHE 60 HD2 PHE 60 -1.164 -1.488 -2.268 499 HE1 PHE 60 HE1 PHE 60 3.255 -3.618 -2.464 500 HE2 PHE 60 HE2 PHE 60 -0.259 -2.624 -0.283 501 HZ PHE 60 HZ PHE 60 1.954 -3.699 -0.381 502 H ARG 61 H ARG 61 -2.745 -2.347 -6.572 503 HA ARG 61 HA ARG 61 -2.607 -0.040 -8.385 504 HB2 ARG 61 HB2 ARG 61 -3.835 -1.161 -10.124 505 HB3 ARG 61 HB3 ARG 61 -2.445 -2.136 -9.688 506 HG2 ARG 61 HG2 ARG 61 -3.975 -3.783 -9.803 507 HG3 ARG 61 HG3 ARG 61 -4.190 -3.299 -8.126 508 HD2 ARG 61 HD2 ARG 61 -6.129 -2.011 -8.667 509 HD3 ARG 61 HD3 ARG 61 -5.847 -2.203 -10.395 510 HE ARG 61 HE ARG 61 -6.106 -4.739 -9.210 511 HH11 ARG 61 HH11 ARG 61 -8.081 -1.948 -9.999 512 HH12 ARG 61 HH12 ARG 61 -9.532 -2.864 -10.161 513 HH21 ARG 61 HH21 ARG 61 -8.038 -5.944 -9.408 514 HH22 ARG 61 HH22 ARG 61 -9.512 -5.141 -9.818 515 H PHE 62 H PHE 62 -4.341 1.255 -8.514 516 HA PHE 62 HA PHE 62 -6.783 0.583 -7.075 517 HB2 PHE 62 HB2 PHE 62 -5.369 1.665 -5.388 518 HB3 PHE 62 HB3 PHE 62 -5.052 2.998 -6.485 519 HD1 PHE 62 HD1 PHE 62 -7.587 1.404 -4.362 520 HD2 PHE 62 HD2 PHE 62 -6.615 4.768 -6.771 521 HE1 PHE 62 HE1 PHE 62 -9.527 2.612 -3.454 522 HE2 PHE 62 HE2 PHE 62 -8.550 5.985 -5.866 523 HZ PHE 62 HZ PHE 62 -10.011 4.907 -4.206 524 H ASP 63 H ASP 63 -8.553 1.545 -8.032 525 HA ASP 63 HA ASP 63 -9.819 2.772 -9.519 526 HB2 ASP 63 HB2 ASP 63 -8.347 4.634 -8.445 527 HB3 ASP 63 HB3 ASP 63 -7.499 4.608 -9.960 528 H GLY 64 H GLY 64 -7.978 0.625 -10.448 529 HA2 GLY 64 HA2 GLY 64 -7.556 -0.274 -12.508 530 HA3 GLY 64 HA3 GLY 64 -8.170 1.219 -13.207 531 H GLN 65 H GLN 65 -5.891 2.215 -11.054 532 HA GLN 65 HA GLN 65 -3.761 2.025 -13.079 533 HB2 GLN 65 HB2 GLN 65 -3.099 4.345 -12.454 534 HB3 GLN 65 HB3 GLN 65 -4.666 4.238 -13.246 535 HG2 GLN 65 HG2 GLN 65 -5.752 4.384 -11.045 536 HG3 GLN 65 HG3 GLN 65 -4.177 4.595 -10.291 537 HE21 GLN 65 HE21 GLN 65 -6.619 5.994 -12.253 538 HE22 GLN 65 HE22 GLN 65 -6.033 7.619 -12.223 539 HA PRO 66 HA PRO 66 -1.205 0.677 -9.722 540 HB2 PRO 66 HB2 PRO 66 1.224 1.186 -10.809 541 HB3 PRO 66 HB3 PRO 66 0.205 -0.149 -11.361 542 HG2 PRO 66 HG2 PRO 66 0.571 2.569 -12.560 543 HG3 PRO 66 HG3 PRO 66 0.511 0.993 -13.371 544 HD2 PRO 66 HD2 PRO 66 -1.614 2.682 -13.270 545 HD3 PRO 66 HD3 PRO 66 -1.791 0.914 -13.303 546 H ILE 67 H ILE 67 -0.047 1.565 -8.004 547 HA ILE 67 HA ILE 67 0.467 4.457 -8.136 548 HB ILE 67 HB ILE 67 -0.095 4.594 -5.688 549 HG12 ILE 67 HG12 ILE 67 -0.176 1.995 -5.483 550 HG13 ILE 67 HG13 ILE 67 -1.318 2.959 -4.556 551 HG21 ILE 67 HG21 ILE 67 -1.517 5.615 -7.296 552 HG22 ILE 67 HG22 ILE 67 -2.523 4.848 -6.067 553 HG23 ILE 67 HG23 ILE 67 -2.319 4.081 -7.642 554 HD11 ILE 67 HD11 ILE 67 -1.883 1.541 -7.148 555 HD12 ILE 67 HD12 ILE 67 -3.043 2.493 -6.223 556 HD13 ILE 67 HD13 ILE 67 -2.374 1.009 -5.540 557 H ASN 68 H ASN 68 2.261 5.157 -7.337 558 HA ASN 68 HA ASN 68 4.221 3.209 -6.477 559 HB2 ASN 68 HB2 ASN 68 5.593 5.526 -6.508 560 HB3 ASN 68 HB3 ASN 68 5.313 4.543 -7.942 561 HD21 ASN 68 HD21 ASN 68 4.298 7.371 -6.180 562 HD22 ASN 68 HD22 ASN 68 3.460 8.138 -7.479 563 H GLU 69 H GLU 69 5.545 3.555 -4.621 564 HA GLU 69 HA GLU 69 4.057 4.120 -2.301 565 HB2 GLU 69 HB2 GLU 69 6.338 3.985 -1.185 566 HB3 GLU 69 HB3 GLU 69 5.777 2.556 -2.046 567 HG2 GLU 69 HG2 GLU 69 7.252 2.923 -3.809 568 HG3 GLU 69 HG3 GLU 69 7.589 4.582 -3.312 569 H THR 70 H THR 70 5.772 6.145 -4.394 570 HA THR 70 HA THR 70 6.401 8.176 -2.483 571 HB THR 70 HB THR 70 7.008 9.495 -4.516 572 HG1 THR 70 HG1 THR 70 6.410 8.774 -6.429 573 HG21 THR 70 HG21 THR 70 8.889 8.067 -5.151 574 HG22 THR 70 HG22 THR 70 8.080 6.684 -4.408 575 HG23 THR 70 HG23 THR 70 8.632 8.026 -3.403 576 H ASP 71 H ASP 71 3.504 7.191 -3.892 577 HA ASP 71 HA ASP 71 2.480 9.904 -4.152 578 HB2 ASP 71 HB2 ASP 71 1.842 7.379 -5.343 579 HB3 ASP 71 HB3 ASP 71 0.400 8.002 -4.553 580 H THR 72 H THR 72 0.404 10.439 -3.095 581 HA THR 72 HA THR 72 0.222 9.174 -0.441 582 HB THR 72 HB THR 72 -0.764 11.441 0.240 583 HG1 THR 72 HG1 THR 72 0.663 12.797 -1.622 584 HG21 THR 72 HG21 THR 72 2.133 11.249 -0.590 585 HG22 THR 72 HG22 THR 72 1.446 10.763 0.964 586 HG23 THR 72 HG23 THR 72 1.477 12.468 0.504 587 HA PRO 73 HA PRO 73 -4.000 8.167 -1.303 588 HB2 PRO 73 HB2 PRO 73 -5.163 8.510 1.147 589 HB3 PRO 73 HB3 PRO 73 -4.141 7.128 0.744 590 HG2 PRO 73 HG2 PRO 73 -3.436 9.635 2.219 591 HG3 PRO 73 HG3 PRO 73 -2.992 7.958 2.586 592 HD2 PRO 73 HD2 PRO 73 -1.282 9.654 1.401 593 HD3 PRO 73 HD3 PRO 73 -1.308 7.925 1.006 594 H ALA 74 H ALA 74 -3.050 11.257 -0.339 595 HA ALA 74 HA ALA 74 -5.722 12.409 -0.615 596 HB1 ALA 74 HB1 ALA 74 -4.253 13.139 1.237 597 HB2 ALA 74 HB2 ALA 74 -4.766 14.459 0.188 598 HB3 ALA 74 HB3 ALA 74 -3.135 13.802 0.047 599 H GLN 75 H GLN 75 -2.894 11.816 -2.440 600 HA GLN 75 HA GLN 75 -3.002 14.067 -4.168 601 HB2 GLN 75 HB2 GLN 75 -1.130 12.232 -3.728 602 HB3 GLN 75 HB3 GLN 75 -1.891 11.475 -5.121 603 HG2 GLN 75 HG2 GLN 75 -0.203 12.730 -6.069 604 HG3 GLN 75 HG3 GLN 75 -1.610 13.775 -6.245 605 HE21 GLN 75 HE21 GLN 75 -1.489 14.381 -3.291 606 HE22 GLN 75 HE22 GLN 75 -0.220 15.539 -3.142 607 H LEU 76 H LEU 76 -4.431 10.872 -4.246 608 HA LEU 76 HA LEU 76 -5.808 11.594 -6.722 609 HB2 LEU 76 HB2 LEU 76 -6.409 9.042 -6.681 610 HB3 LEU 76 HB3 LEU 76 -4.857 9.578 -7.274 611 HG LEU 76 HG LEU 76 -4.843 7.496 -5.842 612 HD11 LEU 76 HD11 LEU 76 -2.820 8.077 -4.624 613 HD12 LEU 76 HD12 LEU 76 -3.154 9.790 -4.860 614 HD13 LEU 76 HD13 LEU 76 -2.805 8.760 -6.249 615 HD21 LEU 76 HD21 LEU 76 -4.884 7.825 -3.393 616 HD22 LEU 76 HD22 LEU 76 -6.448 8.116 -4.154 617 HD23 LEU 76 HD23 LEU 76 -5.443 9.475 -3.653 618 H GLU 77 H GLU 77 -6.258 11.801 -3.579 619 HA GLU 77 HA GLU 77 -7.973 11.922 -2.126 620 HB2 GLU 77 HB2 GLU 77 -9.417 12.665 -4.658 621 HB3 GLU 77 HB3 GLU 77 -10.095 12.851 -3.049 622 HG2 GLU 77 HG2 GLU 77 -8.154 14.319 -2.493 623 HG3 GLU 77 HG3 GLU 77 -7.696 14.247 -4.196 624 H MET 78 H MET 78 -7.605 9.390 -2.276 625 HA MET 78 HA MET 78 -9.877 7.921 -3.199 626 HB2 MET 78 HB2 MET 78 -8.887 6.043 -1.842 627 HB3 MET 78 HB3 MET 78 -7.833 6.709 -3.081 628 HG2 MET 78 HG2 MET 78 -6.608 7.957 -1.425 629 HG3 MET 78 HG3 MET 78 -7.731 7.422 -0.170 630 HE1 MET 78 HE1 MET 78 -5.328 5.948 -2.984 631 HE2 MET 78 HE2 MET 78 -6.774 4.939 -2.975 632 HE3 MET 78 HE3 MET 78 -5.233 4.277 -2.429 633 H GLU 79 H GLU 79 -11.158 6.549 -1.612 634 HA GLU 79 HA GLU 79 -12.129 8.411 0.429 635 HB2 GLU 79 HB2 GLU 79 -13.670 7.650 -1.374 636 HB3 GLU 79 HB3 GLU 79 -13.506 6.010 -0.767 637 HG2 GLU 79 HG2 GLU 79 -14.506 6.640 1.322 638 HG3 GLU 79 HG3 GLU 79 -14.592 8.327 0.808 639 H ASP 80 H ASP 80 -11.982 7.940 2.549 640 HA ASP 80 HA ASP 80 -10.533 6.083 3.754 641 HB2 ASP 80 HB2 ASP 80 -11.814 6.359 5.798 642 HB3 ASP 80 HB3 ASP 80 -11.648 7.900 4.970 643 H GLU 81 H GLU 81 -10.478 4.072 4.306 644 HA GLU 81 HA GLU 81 -10.952 1.937 4.705 645 HB2 GLU 81 HB2 GLU 81 -13.863 2.674 4.367 646 HB3 GLU 81 HB3 GLU 81 -13.270 1.117 4.931 647 HG2 GLU 81 HG2 GLU 81 -12.081 2.481 6.764 648 HG3 GLU 81 HG3 GLU 81 -13.185 3.773 6.304 649 H ASP 82 H ASP 82 -10.787 3.289 1.962 650 HA ASP 82 HA ASP 82 -12.057 1.494 0.161 651 HB2 ASP 82 HB2 ASP 82 -10.810 3.900 -0.125 652 HB3 ASP 82 HB3 ASP 82 -9.583 2.802 -0.751 653 H THR 83 H THR 83 -10.405 0.421 -1.549 654 HA THR 83 HA THR 83 -8.430 -1.102 -0.003 655 HB THR 83 HB THR 83 -10.223 -2.552 -1.935 656 HG1 THR 83 HG1 THR 83 -11.056 -1.367 0.298 657 HG21 THR 83 HG21 THR 83 -8.727 -3.404 0.551 658 HG22 THR 83 HG22 THR 83 -8.173 -3.650 -1.106 659 HG23 THR 83 HG23 THR 83 -9.627 -4.469 -0.529 660 H ILE 84 H ILE 84 -6.796 -2.092 -1.265 661 HA ILE 84 HA ILE 84 -6.532 -1.083 -4.014 662 HB ILE 84 HB ILE 84 -4.434 -1.170 -1.822 663 HG12 ILE 84 HG12 ILE 84 -4.016 1.201 -2.740 664 HG13 ILE 84 HG13 ILE 84 -5.548 1.006 -3.578 665 HG21 ILE 84 HG21 ILE 84 -3.412 -2.192 -3.751 666 HG22 ILE 84 HG22 ILE 84 -2.745 -0.578 -3.501 667 HG23 ILE 84 HG23 ILE 84 -3.934 -0.852 -4.774 668 HD11 ILE 84 HD11 ILE 84 -5.828 2.232 -1.519 669 HD12 ILE 84 HD12 ILE 84 -5.139 0.887 -0.607 670 HD13 ILE 84 HD13 ILE 84 -6.676 0.687 -1.454 671 H ASP 85 H ASP 85 -5.713 -2.578 -5.487 672 HA ASP 85 HA ASP 85 -5.810 -5.348 -4.574 673 HB2 ASP 85 HB2 ASP 85 -7.025 -4.572 -6.629 674 HB3 ASP 85 HB3 ASP 85 -5.438 -4.292 -7.349 675 H VAL 86 H VAL 86 -4.120 -6.656 -4.480 676 HA VAL 86 HA VAL 86 -1.559 -5.631 -5.431 677 HB VAL 86 HB VAL 86 -2.281 -6.971 -2.856 678 HG11 VAL 86 HG11 VAL 86 -0.661 -8.524 -3.861 679 HG12 VAL 86 HG12 VAL 86 0.035 -7.666 -2.487 680 HG13 VAL 86 HG13 VAL 86 0.453 -7.185 -4.132 681 HG21 VAL 86 HG21 VAL 86 -0.308 -4.841 -3.637 682 HG22 VAL 86 HG22 VAL 86 -0.665 -5.367 -1.990 683 HG23 VAL 86 HG23 VAL 86 -1.913 -4.579 -2.957 684 H PHE 87 H PHE 87 -0.345 -6.892 -6.599 685 HA PHE 87 HA PHE 87 -1.102 -9.685 -6.957 686 HB2 PHE 87 HB2 PHE 87 -0.537 -9.300 -9.469 687 HB3 PHE 87 HB3 PHE 87 -2.142 -8.876 -8.857 688 HD1 PHE 87 HD1 PHE 87 -2.534 -6.431 -8.231 689 HD2 PHE 87 HD2 PHE 87 0.742 -7.737 -10.602 690 HE1 PHE 87 HE1 PHE 87 -2.275 -4.163 -9.089 691 HE2 PHE 87 HE2 PHE 87 1.013 -5.455 -11.483 692 HZ PHE 87 HZ PHE 87 -0.497 -3.657 -10.729 693 H GLN 88 H GLN 88 0.599 -11.051 -7.426 694 HA GLN 88 HA GLN 88 3.199 -9.813 -6.868 695 HB2 GLN 88 HB2 GLN 88 2.711 -12.759 -6.621 696 HB3 GLN 88 HB3 GLN 88 3.886 -11.757 -5.786 697 HG2 GLN 88 HG2 GLN 88 1.709 -10.673 -4.743 698 HG3 GLN 88 HG3 GLN 88 1.010 -12.218 -5.198 699 HE21 GLN 88 HE21 GLN 88 4.316 -11.662 -4.090 700 HE22 GLN 88 HE22 GLN 88 4.165 -12.591 -2.643 701 H GLN 89 H GLN 89 4.315 -9.479 -8.638 702 HA GLN 89 HA GLN 89 4.010 -10.942 -11.037 703 HB2 GLN 89 HB2 GLN 89 6.258 -9.117 -10.167 704 HB3 GLN 89 HB3 GLN 89 6.031 -9.725 -11.802 705 HG2 GLN 89 HG2 GLN 89 4.088 -7.974 -10.306 706 HG3 GLN 89 HG3 GLN 89 5.230 -7.421 -11.531 707 HE21 GLN 89 HE21 GLN 89 2.353 -7.229 -11.504 708 HE22 GLN 89 HE22 GLN 89 1.783 -8.056 -12.908 709 H GLN 90 H GLN 90 4.203 -13.074 -10.131 710 HA GLN 90 HA GLN 90 6.706 -14.088 -9.271 711 HB2 GLN 90 HB2 GLN 90 5.646 -16.348 -9.705 712 HB3 GLN 90 HB3 GLN 90 4.819 -15.305 -8.565 713 HG2 GLN 90 HG2 GLN 90 3.143 -16.325 -9.882 714 HG3 GLN 90 HG3 GLN 90 3.260 -14.662 -10.444 715 HE21 GLN 90 HE21 GLN 90 3.976 -14.259 -12.530 716 HE22 GLN 90 HE22 GLN 90 4.191 -15.515 -13.696 717 H THR 91 H THR 91 7.507 -16.193 -10.528 718 HA THR 91 HA THR 91 7.664 -15.698 -13.372 719 HB THR 91 HB THR 91 9.517 -14.353 -12.560 720 HG1 THR 91 HG1 THR 91 10.507 -15.098 -14.238 721 HG21 THR 91 HG21 THR 91 9.878 -15.397 -10.386 722 HG22 THR 91 HG22 THR 91 11.388 -15.354 -11.298 723 HG23 THR 91 HG23 THR 91 10.478 -16.860 -11.169 724 H GLY 92 H GLY 92 7.828 -17.561 -14.520 725 HA2 GLY 92 HA2 GLY 92 9.131 -19.885 -13.770 726 HA3 GLY 92 HA3 GLY 92 7.478 -20.021 -13.187 727 H GLY 93 H GLY 93 7.610 -21.876 -14.739 728 HA2 GLY 93 HA2 GLY 93 6.306 -21.086 -17.185 729 HA3 GLY 93 HA3 GLY 93 7.886 -21.819 -17.429
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