NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
503374 | 1x64 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 44.924 -11.587 10.066 2 HA2 GLY 1 1HA GLY 1 42.838 -10.962 8.081 3 HA3 GLY 1 2HA GLY 1 44.126 -12.136 7.857 4 H SER 2 H SER 2 41.044 -12.177 7.865 5 HA SER 2 HA SER 2 40.605 -14.245 9.889 6 HB2 SER 2 1HB SER 2 38.643 -12.812 8.080 7 HB3 SER 2 2HB SER 2 38.210 -13.996 9.313 8 HG SER 2 HG SER 2 39.350 -12.511 10.804 9 H SER 3 H SER 3 40.122 -13.720 6.403 10 HA SER 3 HA SER 3 39.894 -15.171 4.660 11 HB2 SER 3 1HB SER 3 41.582 -16.793 4.458 12 HB3 SER 3 2HB SER 3 42.284 -15.600 5.552 13 HG SER 3 HG SER 3 42.066 -18.133 6.006 14 H GLY 4 H GLY 4 37.811 -15.312 6.519 15 HA2 GLY 4 1HA GLY 4 37.242 -18.186 6.766 16 HA3 GLY 4 2HA GLY 4 36.405 -16.901 7.623 17 H SER 5 H SER 5 34.723 -18.571 6.622 18 HA SER 5 HA SER 5 33.541 -17.150 4.370 19 HB2 SER 5 1HB SER 5 34.851 -18.963 3.327 20 HB3 SER 5 2HB SER 5 33.995 -20.145 4.317 21 HG SER 5 HG SER 5 32.048 -19.032 3.270 22 H SER 6 H SER 6 31.302 -17.334 4.245 23 HA SER 6 HA SER 6 29.985 -18.921 6.336 24 HB2 SER 6 1HB SER 6 28.605 -17.089 7.019 25 HB3 SER 6 2HB SER 6 30.269 -16.507 7.041 26 HG SER 6 HG SER 6 29.185 -16.114 4.613 27 H GLY 7 H GLY 7 27.498 -18.811 5.973 28 HA2 GLY 7 1HA GLY 7 26.430 -18.300 3.429 29 HA3 GLY 7 2HA GLY 7 26.953 -19.978 3.473 30 H VAL 8 H VAL 8 24.319 -18.146 3.745 31 HA VAL 8 HA VAL 8 22.909 -20.173 5.277 32 HB VAL 8 HB VAL 8 23.506 -18.583 7.017 33 HG11 VAL 8 1HG1 VAL 8 22.143 -16.274 6.617 34 HG12 VAL 8 2HG1 VAL 8 23.862 -16.487 6.280 35 HG13 VAL 8 3HG1 VAL 8 22.681 -16.635 4.978 36 HG21 VAL 8 1HG2 VAL 8 20.633 -17.972 6.508 37 HG22 VAL 8 2HG2 VAL 8 21.124 -19.652 6.723 38 HG23 VAL 8 3HG2 VAL 8 21.432 -18.473 7.999 39 H ARG 9 H ARG 9 20.760 -20.370 4.729 40 HA ARG 9 HA ARG 9 19.537 -18.385 2.989 41 HB2 ARG 9 1HB ARG 9 20.122 -21.218 2.141 42 HB3 ARG 9 2HB ARG 9 18.876 -20.242 1.374 43 HG2 ARG 9 1HG ARG 9 20.424 -18.753 0.474 44 HG3 ARG 9 2HG ARG 9 21.696 -19.260 1.586 45 HD2 ARG 9 1HD ARG 9 21.910 -21.373 0.470 46 HD3 ARG 9 2HD ARG 9 20.505 -21.034 -0.539 47 HE ARG 9 HE ARG 9 22.111 -19.017 -1.201 48 HH11 ARG 9 2HH1 ARG 9 22.763 -22.418 -0.850 49 HH12 ARG 9 1HH1 ARG 9 24.024 -22.432 -2.038 50 HH21 ARG 9 2HH2 ARG 9 23.769 -19.022 -2.767 51 HH22 ARG 9 1HH2 ARG 9 24.596 -20.500 -3.127 52 H ALA 10 H ALA 10 17.656 -18.013 3.950 53 HA ALA 10 HA ALA 10 16.130 -20.314 4.985 54 HB1 ALA 10 1HB ALA 10 17.016 -18.763 6.738 55 HB2 ALA 10 2HB ALA 10 15.988 -17.503 6.055 56 HB3 ALA 10 3HB ALA 10 15.262 -18.956 6.741 57 HA PRO 11 HA PRO 11 13.450 -18.786 1.675 58 HB2 PRO 11 1HB PRO 11 11.964 -21.054 1.544 59 HB3 PRO 11 2HB PRO 11 13.540 -20.892 0.761 60 HG2 PRO 11 1HG PRO 11 12.844 -22.195 3.365 61 HG3 PRO 11 2HG PRO 11 13.937 -22.760 2.088 62 HD2 PRO 11 1HD PRO 11 14.831 -21.568 4.349 63 HD3 PRO 11 2HD PRO 11 15.662 -21.401 2.790 64 H VAL 12 H VAL 12 10.996 -18.787 1.486 65 HA VAL 12 HA VAL 12 9.675 -18.747 4.107 66 HB VAL 12 HB VAL 12 8.557 -16.618 3.545 67 HG11 VAL 12 1HG1 VAL 12 10.898 -16.926 4.745 68 HG12 VAL 12 2HG1 VAL 12 11.451 -15.977 3.364 69 HG13 VAL 12 3HG1 VAL 12 10.212 -15.330 4.440 70 HG21 VAL 12 1HG2 VAL 12 8.673 -15.702 1.524 71 HG22 VAL 12 2HG2 VAL 12 10.435 -15.674 1.584 72 HG23 VAL 12 3HG2 VAL 12 9.596 -17.106 0.990 73 H THR 13 H THR 13 7.377 -18.912 4.023 74 HA THR 13 HA THR 13 6.227 -19.637 1.427 75 HB THR 13 HB THR 13 6.942 -21.743 2.517 76 HG1 THR 13 1HG THR 13 4.293 -21.112 1.922 77 HG21 THR 13 1HG2 THR 13 4.827 -21.683 4.539 78 HG22 THR 13 2HG2 THR 13 6.143 -20.552 4.854 79 HG23 THR 13 3HG2 THR 13 6.486 -22.270 4.652 80 H LYS 14 H LYS 14 4.005 -19.323 1.248 81 HA LYS 14 HA LYS 14 2.757 -17.896 3.506 82 HB2 LYS 14 1HB LYS 14 2.337 -17.441 0.546 83 HB3 LYS 14 2HB LYS 14 1.480 -16.605 1.835 84 HG2 LYS 14 1HG LYS 14 4.467 -16.516 1.662 85 HG3 LYS 14 2HG LYS 14 3.461 -15.428 0.703 86 HD2 LYS 14 1HD LYS 14 2.498 -14.466 2.654 87 HD3 LYS 14 2HD LYS 14 3.197 -15.712 3.690 88 HE2 LYS 14 1HE LYS 14 4.688 -14.025 4.065 89 HE3 LYS 14 2HE LYS 14 5.454 -14.788 2.672 90 HZ1 LYS 14 1HZ LYS 14 3.589 -12.908 1.752 91 HZ2 LYS 14 2HZ LYS 14 5.270 -12.895 1.569 92 HZ3 LYS 14 3HZ LYS 14 4.561 -12.155 2.915 93 H VAL 15 H VAL 15 0.493 -18.168 3.797 94 HA VAL 15 HA VAL 15 -0.813 -20.296 2.288 95 HB VAL 15 HB VAL 15 -0.501 -20.401 5.292 96 HG11 VAL 15 1HG1 VAL 15 -1.913 -22.287 5.309 97 HG12 VAL 15 2HG1 VAL 15 -2.749 -21.084 4.327 98 HG13 VAL 15 3HG1 VAL 15 -1.894 -22.417 3.551 99 HG21 VAL 15 1HG2 VAL 15 0.599 -22.587 4.794 100 HG22 VAL 15 2HG2 VAL 15 0.575 -22.150 3.085 101 HG23 VAL 15 3HG2 VAL 15 1.498 -21.178 4.231 102 H HIS 16 H HIS 16 -2.965 -19.997 2.074 103 HA HIS 16 HA HIS 16 -4.328 -18.115 3.853 104 HB2 HIS 16 1HB HIS 16 -3.664 -16.715 2.013 105 HB3 HIS 16 2HB HIS 16 -4.237 -17.898 0.840 106 HD1 HIS 16 1HD HIS 16 -5.936 -16.196 3.800 107 HD2 HIS 16 2HD HIS 16 -6.494 -16.917 -0.254 108 HE1 HIS 16 1HE HIS 16 -8.172 -15.190 3.239 109 HE2 HIS 16 2HE HIS 16 -8.526 -15.714 0.801 110 H GLY 17 H GLY 17 -6.289 -18.812 4.438 111 HA2 GLY 17 1HA GLY 17 -8.147 -20.109 2.803 112 HA3 GLY 17 2HA GLY 17 -7.234 -21.353 3.645 113 H GLY 18 H GLY 18 -10.098 -20.244 3.782 114 HA2 GLY 18 1HA GLY 18 -10.282 -20.452 6.673 115 HA3 GLY 18 2HA GLY 18 -10.802 -18.914 5.999 116 H ALA 19 H ALA 19 -12.110 -21.425 7.300 117 HA ALA 19 HA ALA 19 -14.344 -21.539 5.384 118 HB1 ALA 19 1HB ALA 19 -14.612 -23.914 6.607 119 HB2 ALA 19 2HB ALA 19 -13.707 -23.688 5.110 120 HB3 ALA 19 3HB ALA 19 -12.857 -23.749 6.654 121 H GLY 20 H GLY 20 -16.393 -21.420 6.229 122 HA2 GLY 20 1HA GLY 20 -17.352 -21.935 8.708 123 HA3 GLY 20 2HA GLY 20 -16.594 -20.362 8.909 124 H SER 21 H SER 21 -17.695 -18.582 8.335 125 HA SER 21 HA SER 21 -19.929 -18.775 6.481 126 HB2 SER 21 1HB SER 21 -20.245 -17.974 9.378 127 HB3 SER 21 2HB SER 21 -21.430 -17.575 8.134 128 HG SER 21 HG SER 21 -20.668 -20.116 9.101 129 H ALA 22 H ALA 22 -20.363 -16.882 5.426 130 HA ALA 22 HA ALA 22 -19.514 -14.328 6.350 131 HB1 ALA 22 1HB ALA 22 -17.907 -14.025 4.341 132 HB2 ALA 22 2HB ALA 22 -17.321 -14.825 5.799 133 HB3 ALA 22 3HB ALA 22 -17.783 -15.783 4.393 134 H GLN 23 H GLN 23 -19.730 -12.654 4.543 135 HA GLN 23 HA GLN 23 -22.189 -13.246 3.111 136 HB2 GLN 23 1HB GLN 23 -21.632 -11.100 4.489 137 HB3 GLN 23 2HB GLN 23 -20.788 -10.597 3.030 138 HG2 GLN 23 1HG GLN 23 -22.984 -9.668 3.000 139 HG3 GLN 23 2HG GLN 23 -22.888 -10.918 1.760 140 HE21 GLN 23 1HE2 GLN 23 -25.014 -11.432 1.662 141 HE22 GLN 23 2HE2 GLN 23 -25.898 -12.137 2.968 142 H ARG 24 H ARG 24 -19.337 -14.137 2.350 143 HA ARG 24 HA ARG 24 -18.133 -14.489 0.452 144 HB2 ARG 24 1HB ARG 24 -20.824 -13.858 -0.767 145 HB3 ARG 24 2HB ARG 24 -19.449 -14.440 -1.697 146 HG2 ARG 24 1HG ARG 24 -20.444 -15.971 0.672 147 HG3 ARG 24 2HG ARG 24 -21.225 -16.124 -0.904 148 HD2 ARG 24 1HD ARG 24 -19.622 -17.864 -0.771 149 HD3 ARG 24 2HD ARG 24 -18.952 -16.644 -1.853 150 HE ARG 24 HE ARG 24 -17.311 -16.182 -0.291 151 HH11 ARG 24 2HH1 ARG 24 -19.682 -18.356 1.040 152 HH12 ARG 24 1HH1 ARG 24 -18.725 -18.759 2.427 153 HH21 ARG 24 2HH2 ARG 24 -16.041 -16.704 1.530 154 HH22 ARG 24 1HH2 ARG 24 -16.654 -17.818 2.705 155 H MET 25 H MET 25 -17.631 -12.059 1.533 156 HA MET 25 HA MET 25 -17.096 -10.446 -0.849 157 HB2 MET 25 1HB MET 25 -17.941 -8.459 0.018 158 HB3 MET 25 2HB MET 25 -19.155 -9.637 0.497 159 HG2 MET 25 1HG MET 25 -16.978 -8.495 2.230 160 HG3 MET 25 2HG MET 25 -18.700 -8.133 2.318 161 HE1 MET 25 1HE MET 25 -17.246 -9.057 5.059 162 HE2 MET 25 2HE MET 25 -16.791 -10.761 5.099 163 HE3 MET 25 3HE MET 25 -16.009 -9.665 3.958 164 HA PRO 26 HA PRO 26 -13.060 -10.238 0.896 165 HB2 PRO 26 1HB PRO 26 -12.129 -8.061 -0.432 166 HB3 PRO 26 2HB PRO 26 -12.347 -9.636 -1.204 167 HG2 PRO 26 1HG PRO 26 -14.133 -7.234 -1.264 168 HG3 PRO 26 2HG PRO 26 -13.672 -8.319 -2.589 169 HD2 PRO 26 1HD PRO 26 -16.051 -8.510 -1.309 170 HD3 PRO 26 2HD PRO 26 -15.210 -9.924 -1.977 171 H LEU 27 H LEU 27 -11.993 -9.237 2.549 172 HA LEU 27 HA LEU 27 -13.355 -6.948 3.776 173 HB2 LEU 27 1HB LEU 27 -12.631 -9.289 4.885 174 HB3 LEU 27 2HB LEU 27 -11.185 -8.338 5.217 175 HG LEU 27 HG LEU 27 -12.695 -8.305 7.117 176 HD11 LEU 27 1HD1 LEU 27 -11.904 -6.269 7.483 177 HD12 LEU 27 2HD1 LEU 27 -13.227 -5.594 6.533 178 HD13 LEU 27 3HD1 LEU 27 -11.704 -6.011 5.749 179 HD21 LEU 27 1HD2 LEU 27 -14.747 -6.698 5.741 180 HD22 LEU 27 2HD2 LEU 27 -14.911 -7.899 7.022 181 HD23 LEU 27 3HD2 LEU 27 -14.720 -8.417 5.346 182 H CYS 28 H CYS 28 -12.513 -5.010 3.436 183 HA CYS 28 HA CYS 28 -10.133 -4.440 2.160 184 HB2 CYS 28 1HB CYS 28 -12.060 -2.861 2.609 185 HB3 CYS 28 2HB CYS 28 -11.407 -2.647 4.230 186 H ASP 29 H ASP 29 -8.131 -4.923 2.745 187 HA ASP 29 HA ASP 29 -7.397 -5.492 5.443 188 HB2 ASP 29 1HB ASP 29 -6.393 -6.305 3.112 189 HB3 ASP 29 2HB ASP 29 -5.309 -4.944 3.390 190 H LYS 30 H LYS 30 -8.045 -2.629 4.064 191 HA LYS 30 HA LYS 30 -5.856 -1.156 5.331 192 HB2 LYS 30 1HB LYS 30 -6.468 -0.554 3.021 193 HB3 LYS 30 2HB LYS 30 -8.098 -0.170 3.558 194 HG2 LYS 30 1HG LYS 30 -7.295 1.921 3.652 195 HG3 LYS 30 2HG LYS 30 -6.666 1.399 5.217 196 HD2 LYS 30 1HD LYS 30 -4.574 0.679 3.966 197 HD3 LYS 30 2HD LYS 30 -5.212 1.579 2.588 198 HE2 LYS 30 1HE LYS 30 -4.793 2.774 5.322 199 HE3 LYS 30 2HE LYS 30 -3.594 2.842 4.031 200 HZ1 LYS 30 1HZ LYS 30 -5.755 4.550 4.454 201 HZ2 LYS 30 2HZ LYS 30 -6.068 3.705 3.023 202 HZ3 LYS 30 3HZ LYS 30 -4.634 4.587 3.187 203 H CYS 31 H CYS 31 -9.419 -1.047 5.203 204 HA CYS 31 HA CYS 31 -9.384 0.153 7.894 205 HB2 CYS 31 1HB CYS 31 -11.546 1.146 7.369 206 HB3 CYS 31 2HB CYS 31 -10.362 1.600 6.147 207 H GLY 32 H GLY 32 -9.515 -2.751 6.755 208 HA2 GLY 32 1HA GLY 32 -10.739 -4.687 7.140 209 HA3 GLY 32 2HA GLY 32 -10.626 -4.095 8.791 210 H SER 33 H SER 33 -12.500 -2.957 5.988 211 HA SER 33 HA SER 33 -14.949 -3.423 7.558 212 HB2 SER 33 1HB SER 33 -14.273 -1.025 5.840 213 HB3 SER 33 2HB SER 33 -15.879 -1.353 6.491 214 HG SER 33 HG SER 33 -13.974 -1.492 8.415 215 H GLY 34 H GLY 34 -16.287 -4.785 6.586 216 HA2 GLY 34 1HA GLY 34 -16.052 -6.173 4.336 217 HA3 GLY 34 2HA GLY 34 -17.630 -5.604 4.860 218 H ILE 35 H ILE 35 -16.208 -5.989 2.167 219 HA ILE 35 HA ILE 35 -16.617 -3.276 1.106 220 HB ILE 35 HB ILE 35 -15.218 -5.602 -0.218 221 HG12 ILE 35 1HG1 ILE 35 -13.901 -3.123 0.871 222 HG13 ILE 35 2HG1 ILE 35 -14.143 -4.547 1.877 223 HG21 ILE 35 1HG2 ILE 35 -16.347 -3.452 -1.425 224 HG22 ILE 35 2HG2 ILE 35 -14.716 -2.855 -1.121 225 HG23 ILE 35 3HG2 ILE 35 -14.954 -4.333 -2.053 226 HD11 ILE 35 1HD1 ILE 35 -12.026 -4.910 1.114 227 HD12 ILE 35 2HD1 ILE 35 -12.958 -5.763 -0.118 228 HD13 ILE 35 3HD1 ILE 35 -12.335 -4.146 -0.445 229 H VAL 36 H VAL 36 -18.336 -2.866 -0.118 230 HA VAL 36 HA VAL 36 -19.553 -4.953 -1.728 231 HB VAL 36 HB VAL 36 -21.137 -3.506 0.399 232 HG11 VAL 36 1HG1 VAL 36 -22.953 -5.109 -0.455 233 HG12 VAL 36 2HG1 VAL 36 -22.590 -3.677 -1.420 234 HG13 VAL 36 3HG1 VAL 36 -21.952 -5.251 -1.900 235 HG21 VAL 36 1HG2 VAL 36 -20.429 -6.421 0.081 236 HG22 VAL 36 2HG2 VAL 36 -19.835 -5.325 1.329 237 HG23 VAL 36 3HG2 VAL 36 -21.541 -5.772 1.287 238 H GLY 37 H GLY 37 -19.805 -4.062 -3.662 239 HA2 GLY 37 1HA GLY 37 -21.203 -2.433 -4.906 240 HA3 GLY 37 2HA GLY 37 -20.600 -1.217 -3.789 241 H ALA 38 H ALA 38 -17.979 -1.497 -3.700 242 HA ALA 38 HA ALA 38 -16.885 -1.830 -6.368 243 HB1 ALA 38 1HB ALA 38 -16.724 0.309 -6.941 244 HB2 ALA 38 2HB ALA 38 -17.746 0.701 -5.557 245 HB3 ALA 38 3HB ALA 38 -15.990 0.725 -5.392 246 H VAL 39 H VAL 39 -14.937 -2.726 -6.216 247 HA VAL 39 HA VAL 39 -13.290 -2.172 -3.846 248 HB VAL 39 HB VAL 39 -14.586 -4.489 -3.949 249 HG11 VAL 39 1HG1 VAL 39 -13.603 -6.184 -5.135 250 HG12 VAL 39 2HG1 VAL 39 -13.324 -4.833 -6.235 251 HG13 VAL 39 3HG1 VAL 39 -12.029 -5.392 -5.176 252 HG21 VAL 39 1HG2 VAL 39 -13.061 -5.318 -2.387 253 HG22 VAL 39 2HG2 VAL 39 -11.687 -4.543 -3.176 254 HG23 VAL 39 3HG2 VAL 39 -12.857 -3.569 -2.286 255 H VAL 40 H VAL 40 -10.996 -2.896 -4.166 256 HA VAL 40 HA VAL 40 -10.172 -2.838 -6.984 257 HB VAL 40 HB VAL 40 -8.995 -1.096 -4.813 258 HG11 VAL 40 1HG1 VAL 40 -7.408 -2.126 -6.534 259 HG12 VAL 40 2HG1 VAL 40 -8.213 -1.086 -7.711 260 HG13 VAL 40 3HG1 VAL 40 -7.370 -0.374 -6.335 261 HG21 VAL 40 1HG2 VAL 40 -11.019 -0.114 -5.562 262 HG22 VAL 40 2HG2 VAL 40 -9.716 0.741 -6.387 263 HG23 VAL 40 3HG2 VAL 40 -10.654 -0.479 -7.248 264 H LYS 41 H LYS 41 -9.356 -4.855 -7.123 265 HA LYS 41 HA LYS 41 -7.430 -5.718 -5.074 266 HB2 LYS 41 1HB LYS 41 -8.874 -7.479 -5.129 267 HB3 LYS 41 2HB LYS 41 -9.393 -7.140 -6.775 268 HG2 LYS 41 1HG LYS 41 -7.047 -7.980 -7.445 269 HG3 LYS 41 2HG LYS 41 -7.018 -8.688 -5.828 270 HD2 LYS 41 1HD LYS 41 -9.326 -9.664 -6.472 271 HD3 LYS 41 2HD LYS 41 -8.839 -9.300 -8.129 272 HE2 LYS 41 1HE LYS 41 -6.652 -10.561 -7.445 273 HE3 LYS 41 2HE LYS 41 -7.678 -11.252 -6.189 274 HZ1 LYS 41 1HZ LYS 41 -9.023 -11.362 -8.660 275 HZ2 LYS 41 2HZ LYS 41 -8.532 -12.640 -7.667 276 HZ3 LYS 41 3HZ LYS 41 -7.482 -12.037 -8.848 277 H ALA 42 H ALA 42 -5.344 -5.742 -5.576 278 HA ALA 42 HA ALA 42 -4.494 -5.166 -8.275 279 HB1 ALA 42 1HB ALA 42 -2.178 -5.356 -7.134 280 HB2 ALA 42 2HB ALA 42 -3.231 -4.003 -6.720 281 HB3 ALA 42 3HB ALA 42 -3.106 -5.387 -5.634 282 H ARG 43 H ARG 43 -2.958 -7.473 -6.074 283 HA ARG 43 HA ARG 43 -2.739 -9.357 -8.305 284 HB2 ARG 43 1HB ARG 43 -0.794 -8.505 -6.708 285 HB3 ARG 43 2HB ARG 43 -1.373 -9.823 -5.697 286 HG2 ARG 43 1HG ARG 43 -0.884 -11.435 -7.356 287 HG3 ARG 43 2HG ARG 43 -0.619 -10.193 -8.581 288 HD2 ARG 43 1HD ARG 43 1.322 -9.382 -7.279 289 HD3 ARG 43 2HD ARG 43 1.078 -10.708 -6.142 290 HE ARG 43 HE ARG 43 1.376 -11.558 -8.873 291 HH11 ARG 43 2HH1 ARG 43 3.039 -10.727 -5.929 292 HH12 ARG 43 1HH1 ARG 43 4.455 -11.648 -6.316 293 HH21 ARG 43 2HH2 ARG 43 3.235 -12.773 -9.393 294 HH22 ARG 43 1HH2 ARG 43 4.566 -12.811 -8.287 295 H ASP 44 H ASP 44 -2.857 -9.972 -4.815 296 HA ASP 44 HA ASP 44 -5.081 -11.844 -5.306 297 HB2 ASP 44 1HB ASP 44 -2.713 -12.108 -3.451 298 HB3 ASP 44 2HB ASP 44 -4.144 -13.128 -3.330 299 H LYS 45 H LYS 45 -3.807 -9.273 -3.383 300 HA LYS 45 HA LYS 45 -5.789 -9.540 -1.292 301 HB2 LYS 45 1HB LYS 45 -3.489 -7.724 -1.842 302 HB3 LYS 45 2HB LYS 45 -4.761 -7.144 -0.775 303 HG2 LYS 45 1HG LYS 45 -4.380 -9.497 0.367 304 HG3 LYS 45 2HG LYS 45 -2.787 -9.320 -0.372 305 HD2 LYS 45 1HD LYS 45 -4.094 -7.263 1.407 306 HD3 LYS 45 2HD LYS 45 -2.905 -8.449 1.950 307 HE2 LYS 45 1HE LYS 45 -1.608 -6.568 1.556 308 HE3 LYS 45 2HE LYS 45 -1.429 -7.482 0.059 309 HZ1 LYS 45 1HZ LYS 45 -3.068 -6.085 -0.983 310 HZ2 LYS 45 2HZ LYS 45 -1.853 -5.112 -0.322 311 HZ3 LYS 45 3HZ LYS 45 -3.346 -5.250 0.462 312 H TYR 46 H TYR 46 -7.127 -7.584 -0.715 313 HA TYR 46 HA TYR 46 -8.097 -6.201 -3.124 314 HB2 TYR 46 1HB TYR 46 -9.814 -7.430 -0.957 315 HB3 TYR 46 2HB TYR 46 -10.409 -6.463 -2.302 316 HD1 TYR 46 1HD TYR 46 -8.225 -9.459 -1.782 317 HD2 TYR 46 2HD TYR 46 -11.307 -7.626 -4.072 318 HE1 TYR 46 1HE TYR 46 -8.407 -11.493 -3.153 319 HE2 TYR 46 2HE TYR 46 -11.498 -9.655 -5.449 320 HH TYR 46 HH TYR 46 -10.966 -12.170 -5.107 321 H ARG 47 H ARG 47 -8.806 -4.104 -2.847 322 HA ARG 47 HA ARG 47 -8.846 -2.962 -0.167 323 HB2 ARG 47 1HB ARG 47 -7.046 -1.894 -2.350 324 HB3 ARG 47 2HB ARG 47 -7.307 -1.149 -0.779 325 HG2 ARG 47 1HG ARG 47 -6.342 -3.956 -0.854 326 HG3 ARG 47 2HG ARG 47 -5.211 -2.666 -1.267 327 HD2 ARG 47 1HD ARG 47 -5.656 -1.573 0.861 328 HD3 ARG 47 2HD ARG 47 -6.837 -2.817 1.269 329 HE ARG 47 HE ARG 47 -5.087 -4.336 1.624 330 HH11 ARG 47 2HH1 ARG 47 -3.934 -1.195 0.660 331 HH12 ARG 47 1HH1 ARG 47 -2.305 -1.493 1.168 332 HH21 ARG 47 2HH2 ARG 47 -2.945 -4.740 2.298 333 HH22 ARG 47 1HH2 ARG 47 -1.743 -3.510 2.099 334 H HIS 48 H HIS 48 -10.127 -1.154 0.023 335 HA HIS 48 HA HIS 48 -12.233 -0.804 -1.743 336 HB2 HIS 48 1HB HIS 48 -11.119 0.770 0.523 337 HB3 HIS 48 2HB HIS 48 -12.271 1.580 -0.535 338 HD2 HIS 48 2HD HIS 48 -14.430 -0.830 -0.923 339 HE1 HIS 48 1HE HIS 48 -14.564 -0.867 3.317 340 HE2 HIS 48 2HE HIS 48 -15.682 -1.632 1.193 341 HA PRO 49 HA PRO 49 -10.894 1.799 -5.008 342 HB2 PRO 49 1HB PRO 49 -12.967 3.527 -5.297 343 HB3 PRO 49 2HB PRO 49 -13.063 1.825 -5.764 344 HG2 PRO 49 1HG PRO 49 -14.052 3.165 -3.277 345 HG3 PRO 49 2HG PRO 49 -14.849 1.939 -4.280 346 HD2 PRO 49 1HD PRO 49 -13.593 1.330 -1.960 347 HD3 PRO 49 2HD PRO 49 -13.658 0.208 -3.334 348 H GLU 50 H GLU 50 -11.419 3.099 -1.904 349 HA GLU 50 HA GLU 50 -10.070 5.603 -2.679 350 HB2 GLU 50 1HB GLU 50 -11.157 6.703 -0.815 351 HB3 GLU 50 2HB GLU 50 -12.371 5.944 -1.836 352 HG2 GLU 50 1HG GLU 50 -12.425 4.034 -0.249 353 HG3 GLU 50 2HG GLU 50 -11.337 4.937 0.803 354 H CYS 51 H CYS 51 -10.105 2.844 -0.579 355 HA CYS 51 HA CYS 51 -8.180 3.806 1.294 356 HB2 CYS 51 1HB CYS 51 -9.174 1.035 0.622 357 HB3 CYS 51 2HB CYS 51 -7.985 1.345 1.883 358 H PHE 52 H PHE 52 -8.029 2.045 -1.735 359 HA PHE 52 HA PHE 52 -5.448 1.063 -1.668 360 HB2 PHE 52 1HB PHE 52 -7.361 1.001 -3.517 361 HB3 PHE 52 2HB PHE 52 -6.395 2.300 -4.209 362 HD1 PHE 52 2HD PHE 52 -5.382 -0.806 -2.424 363 HD2 PHE 52 1HD PHE 52 -5.312 1.427 -6.047 364 HE1 PHE 52 2HE PHE 52 -3.865 -2.470 -3.416 365 HE2 PHE 52 1HE PHE 52 -3.796 -0.233 -7.045 366 HZ PHE 52 HZ PHE 52 -3.069 -2.184 -5.729 367 H VAL 53 H VAL 53 -3.810 2.256 -0.872 368 HA VAL 53 HA VAL 53 -2.839 4.460 -2.460 369 HB VAL 53 HB VAL 53 -2.729 6.099 -0.694 370 HG11 VAL 53 1HG1 VAL 53 -5.510 4.966 -0.974 371 HG12 VAL 53 2HG1 VAL 53 -5.122 6.591 -0.405 372 HG13 VAL 53 3HG1 VAL 53 -4.734 6.118 -2.059 373 HG21 VAL 53 1HG2 VAL 53 -2.463 4.913 1.291 374 HG22 VAL 53 2HG2 VAL 53 -4.088 5.584 1.438 375 HG23 VAL 53 3HG2 VAL 53 -3.870 3.894 0.985 376 H CYS 54 H CYS 54 -0.754 5.349 -1.438 377 HA CYS 54 HA CYS 54 1.015 3.181 -1.033 378 HB2 CYS 54 1HB CYS 54 1.578 5.428 -2.058 379 HB3 CYS 54 2HB CYS 54 1.590 6.082 -0.423 380 H ALA 55 H ALA 55 2.592 3.135 0.841 381 HA ALA 55 HA ALA 55 1.061 3.324 3.342 382 HB1 ALA 55 1HB ALA 55 2.648 1.665 4.226 383 HB2 ALA 55 2HB ALA 55 1.800 1.083 2.793 384 HB3 ALA 55 3HB ALA 55 3.468 1.639 2.665 385 H ASP 56 H ASP 56 3.349 4.997 1.665 386 HA ASP 56 HA ASP 56 4.642 5.977 4.126 387 HB2 ASP 56 1HB ASP 56 6.031 4.883 2.196 388 HB3 ASP 56 2HB ASP 56 5.800 6.436 1.399 389 H CYS 57 H CYS 57 3.193 6.897 1.043 390 HA CYS 57 HA CYS 57 2.923 9.647 2.070 391 HB2 CYS 57 1HB CYS 57 2.824 10.361 -0.315 392 HB3 CYS 57 2HB CYS 57 4.367 9.641 0.133 393 H ASN 58 H ASN 58 1.298 6.834 1.207 394 HA ASN 58 HA ASN 58 -0.899 6.285 1.006 395 HB2 ASN 58 1HB ASN 58 -0.896 7.922 3.048 396 HB3 ASN 58 2HB ASN 58 -1.695 9.025 1.930 397 HD21 ASN 58 1HD2 ASN 58 -3.772 8.615 1.273 398 HD22 ASN 58 2HD2 ASN 58 -4.765 7.400 1.997 399 H LEU 59 H LEU 59 0.257 7.069 -1.322 400 HA LEU 59 HA LEU 59 -1.510 8.990 -2.617 401 HB2 LEU 59 1HB LEU 59 1.132 8.492 -2.917 402 HB3 LEU 59 2HB LEU 59 0.467 7.518 -4.227 403 HG LEU 59 HG LEU 59 0.028 10.480 -3.856 404 HD11 LEU 59 1HD1 LEU 59 2.239 10.327 -4.519 405 HD12 LEU 59 2HD1 LEU 59 1.387 10.461 -6.057 406 HD13 LEU 59 3HD1 LEU 59 1.954 8.888 -5.497 407 HD21 LEU 59 1HD2 LEU 59 -1.755 9.002 -5.011 408 HD22 LEU 59 2HD2 LEU 59 -0.582 8.901 -6.324 409 HD23 LEU 59 3HD2 LEU 59 -1.206 10.471 -5.818 410 H ASN 60 H ASN 60 -3.164 8.457 -3.903 411 HA ASN 60 HA ASN 60 -4.261 5.912 -3.965 412 HB2 ASN 60 1HB ASN 60 -4.646 8.223 -5.878 413 HB3 ASN 60 2HB ASN 60 -5.651 6.777 -5.869 414 HD21 ASN 60 1HD2 ASN 60 -6.687 6.261 -3.761 415 HD22 ASN 60 2HD2 ASN 60 -7.282 7.582 -2.821 416 H LEU 61 H LEU 61 -3.193 4.182 -4.708 417 HA LEU 61 HA LEU 61 -1.513 4.345 -7.058 418 HB2 LEU 61 1HB LEU 61 -2.250 1.809 -5.647 419 HB3 LEU 61 2HB LEU 61 -0.775 2.197 -6.530 420 HG LEU 61 HG LEU 61 -1.531 3.398 -3.869 421 HD11 LEU 61 1HD1 LEU 61 -1.112 1.239 -3.240 422 HD12 LEU 61 2HD1 LEU 61 0.526 1.893 -3.227 423 HD13 LEU 61 3HD1 LEU 61 -0.030 0.934 -4.599 424 HD21 LEU 61 1HD2 LEU 61 1.260 3.343 -4.775 425 HD22 LEU 61 2HD2 LEU 61 0.345 4.627 -3.984 426 HD23 LEU 61 3HD2 LEU 61 0.191 4.378 -5.723 427 H LYS 62 H LYS 62 -4.765 3.640 -6.363 428 HA LYS 62 HA LYS 62 -5.648 1.703 -7.986 429 HB2 LYS 62 1HB LYS 62 -7.305 2.935 -6.884 430 HB3 LYS 62 2HB LYS 62 -6.738 4.465 -7.539 431 HG2 LYS 62 1HG LYS 62 -8.763 3.990 -8.636 432 HG3 LYS 62 2HG LYS 62 -7.485 3.636 -9.801 433 HD2 LYS 62 1HD LYS 62 -7.700 1.217 -8.739 434 HD3 LYS 62 2HD LYS 62 -9.329 1.791 -8.373 435 HE2 LYS 62 1HE LYS 62 -9.692 0.904 -10.444 436 HE3 LYS 62 2HE LYS 62 -9.247 2.547 -10.903 437 HZ1 LYS 62 1HZ LYS 62 -6.934 0.936 -10.664 438 HZ2 LYS 62 2HZ LYS 62 -7.511 1.774 -12.014 439 HZ3 LYS 62 3HZ LYS 62 -8.038 0.195 -11.710 440 H GLN 63 H GLN 63 -5.320 5.029 -9.242 441 HA GLN 63 HA GLN 63 -5.370 4.107 -11.958 442 HB2 GLN 63 1HB GLN 63 -4.797 6.562 -12.420 443 HB3 GLN 63 2HB GLN 63 -6.340 6.221 -11.649 444 HG2 GLN 63 1HG GLN 63 -5.626 7.011 -9.584 445 HG3 GLN 63 2HG GLN 63 -3.923 6.884 -10.019 446 HE21 GLN 63 1HE2 GLN 63 -6.850 8.498 -11.221 447 HE22 GLN 63 2HE2 GLN 63 -6.098 10.030 -11.492 448 H LYS 64 H LYS 64 -2.907 5.312 -9.732 449 HA LYS 64 HA LYS 64 -0.800 5.325 -11.650 450 HB2 LYS 64 1HB LYS 64 -0.780 5.329 -8.630 451 HB3 LYS 64 2HB LYS 64 0.672 5.473 -9.612 452 HG2 LYS 64 1HG LYS 64 -0.369 7.499 -10.670 453 HG3 LYS 64 2HG LYS 64 -1.632 7.397 -9.441 454 HD2 LYS 64 1HD LYS 64 0.064 7.595 -7.686 455 HD3 LYS 64 2HD LYS 64 1.327 7.693 -8.915 456 HE2 LYS 64 1HE LYS 64 -0.975 9.625 -8.801 457 HE3 LYS 64 2HE LYS 64 0.524 9.886 -7.910 458 HZ1 LYS 64 1HZ LYS 64 -0.015 10.434 -10.606 459 HZ2 LYS 64 2HZ LYS 64 1.188 9.248 -10.546 460 HZ3 LYS 64 3HZ LYS 64 1.411 10.719 -9.742 461 H GLY 65 H GLY 65 1.293 4.000 -10.924 462 HA2 GLY 65 1HA GLY 65 0.542 1.222 -11.289 463 HA3 GLY 65 2HA GLY 65 2.168 1.883 -11.361 464 H TYR 66 H TYR 66 -0.137 0.250 -9.455 465 HA TYR 66 HA TYR 66 0.904 0.784 -6.879 466 HB2 TYR 66 1HB TYR 66 -0.512 -0.925 -6.104 467 HB3 TYR 66 2HB TYR 66 -1.353 -0.269 -7.504 468 HD1 TYR 66 2HD TYR 66 0.530 -3.139 -6.199 469 HD2 TYR 66 1HD TYR 66 -1.645 -1.582 -9.508 470 HE1 TYR 66 2HE TYR 66 0.425 -5.391 -7.182 471 HE2 TYR 66 1HE TYR 66 -1.757 -3.830 -10.500 472 HH TYR 66 HH TYR 66 -0.103 -6.069 -10.174 473 H PHE 67 H PHE 67 2.012 -0.790 -5.491 474 HA PHE 67 HA PHE 67 3.746 -2.669 -6.917 475 HB2 PHE 67 1HB PHE 67 4.618 -0.280 -5.351 476 HB3 PHE 67 2HB PHE 67 5.597 -1.741 -5.269 477 HD1 PHE 67 1HD PHE 67 3.911 0.371 -7.844 478 HD2 PHE 67 2HD PHE 67 7.325 -1.927 -6.759 479 HE1 PHE 67 1HE PHE 67 4.994 0.985 -9.966 480 HE2 PHE 67 2HE PHE 67 8.414 -1.316 -8.879 481 HZ PHE 67 HZ PHE 67 7.249 0.142 -10.486 482 H PHE 68 H PHE 68 4.814 -4.211 -5.491 483 HA PHE 68 HA PHE 68 3.445 -4.528 -2.904 484 HB2 PHE 68 1HB PHE 68 3.721 -6.454 -5.158 485 HB3 PHE 68 2HB PHE 68 3.842 -7.094 -3.522 486 HD1 PHE 68 1HD PHE 68 1.931 -6.068 -1.903 487 HD2 PHE 68 2HD PHE 68 1.653 -6.554 -6.122 488 HE1 PHE 68 1HE PHE 68 -0.524 -6.104 -1.734 489 HE2 PHE 68 2HE PHE 68 -0.801 -6.590 -5.960 490 HZ PHE 68 HZ PHE 68 -1.893 -6.365 -3.764 491 H VAL 69 H VAL 69 5.044 -4.008 -1.521 492 HA VAL 69 HA VAL 69 7.594 -5.464 -1.793 493 HB VAL 69 HB VAL 69 7.163 -2.733 -0.573 494 HG11 VAL 69 1HG1 VAL 69 9.366 -2.696 0.076 495 HG12 VAL 69 2HG1 VAL 69 8.969 -4.393 0.351 496 HG13 VAL 69 3HG1 VAL 69 9.847 -3.916 -1.103 497 HG21 VAL 69 1HG2 VAL 69 7.095 -2.959 -3.109 498 HG22 VAL 69 2HG2 VAL 69 8.259 -1.814 -2.442 499 HG23 VAL 69 3HG2 VAL 69 8.801 -3.395 -3.004 500 H GLU 70 H GLU 70 7.453 -7.118 -0.400 501 HA GLU 70 HA GLU 70 7.334 -8.261 1.563 502 HB2 GLU 70 1HB GLU 70 7.463 -5.493 2.770 503 HB3 GLU 70 2HB GLU 70 7.636 -6.992 3.671 504 HG2 GLU 70 1HG GLU 70 9.548 -7.448 1.940 505 HG3 GLU 70 2HG GLU 70 9.517 -5.694 1.770 506 H GLY 71 H GLY 71 4.931 -7.614 0.191 507 HA2 GLY 71 1HA GLY 71 2.716 -8.193 0.677 508 HA3 GLY 71 2HA GLY 71 3.062 -7.990 2.388 509 H GLU 72 H GLU 72 4.204 -5.341 2.096 510 HA GLU 72 HA GLU 72 1.741 -3.851 2.146 511 HB2 GLU 72 1HB GLU 72 3.810 -3.550 3.668 512 HB3 GLU 72 2HB GLU 72 4.487 -2.642 2.324 513 HG2 GLU 72 1HG GLU 72 3.455 -1.176 3.967 514 HG3 GLU 72 2HG GLU 72 2.633 -1.082 2.411 515 H LEU 73 H LEU 73 1.349 -1.919 0.911 516 HA LEU 73 HA LEU 73 2.304 -2.187 -1.837 517 HB2 LEU 73 1HB LEU 73 -0.077 -0.979 -0.533 518 HB3 LEU 73 2HB LEU 73 0.461 -0.297 -2.067 519 HG LEU 73 HG LEU 73 0.092 -3.238 -1.948 520 HD11 LEU 73 1HD1 LEU 73 -2.217 -3.233 -1.988 521 HD12 LEU 73 2HD1 LEU 73 -2.312 -1.514 -2.369 522 HD13 LEU 73 3HD1 LEU 73 -1.865 -2.033 -0.744 523 HD21 LEU 73 1HD2 LEU 73 -1.032 -1.534 -4.080 524 HD22 LEU 73 2HD2 LEU 73 -0.131 -3.046 -4.188 525 HD23 LEU 73 3HD2 LEU 73 0.724 -1.526 -3.916 526 H TYR 74 H TYR 74 2.681 -0.139 -3.067 527 HA TYR 74 HA TYR 74 3.436 2.222 -1.647 528 HB2 TYR 74 1HB TYR 74 5.588 0.354 -2.635 529 HB3 TYR 74 2HB TYR 74 5.875 2.071 -2.376 530 HD1 TYR 74 2HD TYR 74 5.544 3.013 -0.052 531 HD2 TYR 74 1HD TYR 74 5.634 -1.167 -0.837 532 HE1 TYR 74 2HE TYR 74 5.999 2.582 2.327 533 HE2 TYR 74 1HE TYR 74 6.089 -1.610 1.539 534 HH TYR 74 HH TYR 74 7.018 0.805 3.713 535 H CYS 75 H CYS 75 4.199 3.916 -3.068 536 HA CYS 75 HA CYS 75 2.988 3.727 -5.677 537 HB2 CYS 75 1HB CYS 75 3.579 6.116 -5.869 538 HB3 CYS 75 2HB CYS 75 2.715 5.768 -4.375 539 H GLU 76 H GLU 76 4.152 4.543 -7.623 540 HA GLU 76 HA GLU 76 6.280 2.958 -8.320 541 HB2 GLU 76 1HB GLU 76 4.756 4.549 -9.741 542 HB3 GLU 76 2HB GLU 76 6.063 5.700 -9.505 543 HG2 GLU 76 1HG GLU 76 7.625 4.252 -10.587 544 HG3 GLU 76 2HG GLU 76 6.439 2.950 -10.662 545 H THR 77 H THR 77 6.353 6.183 -6.895 546 HA THR 77 HA THR 77 9.127 6.624 -7.134 547 HB THR 77 HB THR 77 7.210 7.728 -5.071 548 HG1 THR 77 1HG THR 77 7.120 9.498 -6.527 549 HG21 THR 77 1HG2 THR 77 9.647 9.190 -5.933 550 HG22 THR 77 2HG2 THR 77 9.862 7.836 -4.823 551 HG23 THR 77 3HG2 THR 77 8.821 9.187 -4.376 552 H HIS 78 H HIS 78 7.378 5.992 -4.092 553 HA HIS 78 HA HIS 78 9.623 5.267 -2.611 554 HB2 HIS 78 1HB HIS 78 6.691 4.684 -2.299 555 HB3 HIS 78 2HB HIS 78 7.866 4.016 -1.170 556 HD2 HIS 78 2HD HIS 78 9.697 6.532 -0.490 557 HE1 HIS 78 1HE HIS 78 6.079 8.636 0.205 558 HE2 HIS 78 2HE HIS 78 8.579 8.639 0.511 559 H ALA 79 H ALA 79 7.189 3.111 -4.080 560 HA ALA 79 HA ALA 79 8.220 0.668 -3.463 561 HB1 ALA 79 1HB ALA 79 6.161 1.332 -4.901 562 HB2 ALA 79 2HB ALA 79 7.272 1.138 -6.257 563 HB3 ALA 79 3HB ALA 79 6.953 -0.219 -5.177 564 H ARG 80 H ARG 80 9.077 2.525 -6.388 565 HA ARG 80 HA ARG 80 10.949 0.884 -7.497 566 HB2 ARG 80 1HB ARG 80 10.641 3.845 -7.390 567 HB3 ARG 80 2HB ARG 80 12.149 3.201 -8.024 568 HG2 ARG 80 1HG ARG 80 10.905 1.916 -9.688 569 HG3 ARG 80 2HG ARG 80 9.392 2.563 -9.051 570 HD2 ARG 80 1HD ARG 80 9.875 3.900 -10.915 571 HD3 ARG 80 2HD ARG 80 10.372 4.867 -9.527 572 HE ARG 80 HE ARG 80 12.578 4.644 -10.182 573 HH11 ARG 80 2HH1 ARG 80 10.520 2.621 -12.128 574 HH12 ARG 80 1HH1 ARG 80 11.746 2.281 -13.304 575 HH21 ARG 80 2HH2 ARG 80 14.201 4.205 -11.723 576 HH22 ARG 80 1HH2 ARG 80 13.839 3.182 -13.073 577 H ALA 81 H ALA 81 11.424 3.122 -4.801 578 HA ALA 81 HA ALA 81 14.210 2.782 -4.547 579 HB1 ALA 81 1HB ALA 81 12.057 3.989 -2.982 580 HB2 ALA 81 2HB ALA 81 13.386 3.360 -2.007 581 HB3 ALA 81 3HB ALA 81 13.704 4.549 -3.270 582 H ARG 82 H ARG 82 11.470 1.056 -3.135 583 HA ARG 82 HA ARG 82 13.055 -0.585 -1.424 584 HB2 ARG 82 1HB ARG 82 10.240 -1.013 -2.442 585 HB3 ARG 82 2HB ARG 82 10.994 -1.884 -1.113 586 HG2 ARG 82 1HG ARG 82 10.837 -0.112 0.325 587 HG3 ARG 82 2HG ARG 82 10.857 1.083 -0.974 588 HD2 ARG 82 1HD ARG 82 8.570 0.008 -1.616 589 HD3 ARG 82 2HD ARG 82 8.590 -0.576 0.048 590 HE ARG 82 HE ARG 82 8.009 2.058 -0.810 591 HH11 ARG 82 2HH1 ARG 82 9.613 0.288 1.722 592 HH12 ARG 82 1HH1 ARG 82 9.384 1.526 2.912 593 HH21 ARG 82 2HH2 ARG 82 7.700 3.696 0.748 594 HH22 ARG 82 1HH2 ARG 82 8.295 3.464 2.357 595 H THR 83 H THR 83 11.206 -1.370 -4.375 596 HA THR 83 HA THR 83 12.616 -3.869 -4.682 597 HB THR 83 HB THR 83 10.225 -3.658 -5.296 598 HG1 THR 83 1HG THR 83 11.390 -5.302 -6.298 599 HG21 THR 83 1HG2 THR 83 11.244 -1.992 -7.601 600 HG22 THR 83 2HG2 THR 83 10.342 -1.368 -6.219 601 HG23 THR 83 3HG2 THR 83 9.578 -2.504 -7.330 602 H SER 84 H SER 84 13.920 -1.100 -4.956 603 HA SER 84 HA SER 84 14.689 -0.561 -7.550 604 HB2 SER 84 1HB SER 84 15.298 0.940 -5.765 605 HB3 SER 84 2HB SER 84 16.278 -0.304 -4.988 606 HG SER 84 HG SER 84 16.925 1.401 -7.001 607 H GLY 85 H GLY 85 15.558 -1.844 -9.031 608 HA2 GLY 85 1HA GLY 85 17.019 -3.316 -10.032 609 HA3 GLY 85 2HA GLY 85 17.979 -3.273 -8.560 610 HA PRO 86 HA PRO 86 14.653 -6.684 -7.785 611 HB2 PRO 86 1HB PRO 86 12.989 -7.284 -9.845 612 HB3 PRO 86 2HB PRO 86 12.614 -6.051 -8.635 613 HG2 PRO 86 1HG PRO 86 13.721 -5.720 -11.397 614 HG3 PRO 86 2HG PRO 86 12.467 -4.775 -10.574 615 HD2 PRO 86 1HD PRO 86 15.028 -3.922 -10.790 616 HD3 PRO 86 2HD PRO 86 14.005 -3.528 -9.394 617 H SER 87 H SER 87 14.515 -8.967 -8.425 618 HA SER 87 HA SER 87 16.822 -9.709 -10.029 619 HB2 SER 87 1HB SER 87 16.550 -11.922 -9.084 620 HB3 SER 87 2HB SER 87 16.410 -10.735 -7.788 621 HG SER 87 HG SER 87 14.083 -10.919 -8.110 622 H SER 88 H SER 88 16.679 -11.482 -11.592 623 HA SER 88 HA SER 88 14.624 -11.000 -13.498 624 HB2 SER 88 1HB SER 88 15.730 -12.716 -14.839 625 HB3 SER 88 2HB SER 88 16.933 -11.638 -14.131 626 HG SER 88 HG SER 88 16.747 -14.274 -13.890 627 H GLY 89 H GLY 89 12.604 -11.691 -13.247 628 HA2 GLY 89 1HA GLY 89 12.204 -14.452 -12.271 629 HA3 GLY 89 2HA GLY 89 11.164 -13.127 -11.769 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.595 -2.719 -18.576 2 HA2 GLY 1 1HA GLY 1 2.814 -2.083 -20.295 3 HA3 GLY 1 2HA GLY 1 2.700 -1.755 -18.572 4 H SER 2 H SER 2 2.734 -4.698 -20.589 5 HA SER 2 HA SER 2 4.529 -5.944 -18.653 6 HB2 SER 2 1HB SER 2 3.149 -7.140 -21.069 7 HB3 SER 2 2HB SER 2 4.051 -8.033 -19.846 8 HG SER 2 HG SER 2 2.487 -7.624 -18.376 9 H SER 3 H SER 3 6.639 -5.732 -18.942 10 HA SER 3 HA SER 3 7.827 -6.270 -21.519 11 HB2 SER 3 1HB SER 3 9.151 -4.132 -21.502 12 HB3 SER 3 2HB SER 3 7.430 -3.915 -21.819 13 HG SER 3 HG SER 3 7.260 -2.803 -20.045 14 H GLY 4 H GLY 4 10.298 -6.076 -21.342 15 HA2 GLY 4 1HA GLY 4 12.275 -6.345 -20.116 16 HA3 GLY 4 2HA GLY 4 11.324 -6.410 -18.639 17 H SER 5 H SER 5 12.347 -8.250 -21.465 18 HA SER 5 HA SER 5 11.600 -10.734 -20.081 19 HB2 SER 5 1HB SER 5 11.777 -11.824 -22.265 20 HB3 SER 5 2HB SER 5 10.688 -10.440 -22.360 21 HG SER 5 HG SER 5 12.175 -9.325 -23.484 22 H SER 6 H SER 6 13.220 -11.449 -18.853 23 HA SER 6 HA SER 6 15.783 -11.994 -20.104 24 HB2 SER 6 1HB SER 6 15.433 -10.082 -17.809 25 HB3 SER 6 2HB SER 6 16.927 -11.002 -17.992 26 HG SER 6 HG SER 6 16.296 -9.957 -20.353 27 H GLY 7 H GLY 7 17.228 -13.243 -18.555 28 HA2 GLY 7 1HA GLY 7 15.547 -15.221 -17.198 29 HA3 GLY 7 2HA GLY 7 17.220 -15.445 -17.686 30 H VAL 8 H VAL 8 15.093 -14.509 -15.170 31 HA VAL 8 HA VAL 8 17.396 -14.173 -13.379 32 HB VAL 8 HB VAL 8 14.942 -12.411 -13.369 33 HG11 VAL 8 1HG1 VAL 8 17.290 -12.574 -11.490 34 HG12 VAL 8 2HG1 VAL 8 16.173 -11.209 -11.547 35 HG13 VAL 8 3HG1 VAL 8 15.586 -12.814 -11.109 36 HG21 VAL 8 1HG2 VAL 8 16.343 -11.636 -15.088 37 HG22 VAL 8 2HG2 VAL 8 16.722 -10.616 -13.700 38 HG23 VAL 8 3HG2 VAL 8 17.805 -11.935 -14.147 39 H ARG 9 H ARG 9 17.281 -15.830 -12.017 40 HA ARG 9 HA ARG 9 14.643 -16.770 -11.131 41 HB2 ARG 9 1HB ARG 9 17.357 -18.087 -11.149 42 HB3 ARG 9 2HB ARG 9 15.972 -18.770 -10.309 43 HG2 ARG 9 1HG ARG 9 14.807 -18.529 -12.631 44 HG3 ARG 9 2HG ARG 9 16.465 -18.488 -13.233 45 HD2 ARG 9 1HD ARG 9 15.668 -20.622 -11.310 46 HD3 ARG 9 2HD ARG 9 15.170 -20.759 -12.995 47 HE ARG 9 HE ARG 9 17.984 -20.235 -12.573 48 HH11 ARG 9 2HH1 ARG 9 15.500 -22.629 -13.038 49 HH12 ARG 9 1HH1 ARG 9 16.597 -23.848 -13.594 50 HH21 ARG 9 2HH2 ARG 9 19.439 -21.832 -13.303 51 HH22 ARG 9 1HH2 ARG 9 18.838 -23.394 -13.744 52 H ALA 10 H ALA 10 14.264 -17.210 -8.909 53 HA ALA 10 HA ALA 10 16.161 -16.057 -7.000 54 HB1 ALA 10 1HB ALA 10 14.876 -14.351 -6.356 55 HB2 ALA 10 2HB ALA 10 13.985 -14.610 -7.856 56 HB3 ALA 10 3HB ALA 10 13.416 -15.340 -6.355 57 HA PRO 11 HA PRO 11 15.094 -19.633 -4.661 58 HB2 PRO 11 1HB PRO 11 15.926 -18.801 -2.214 59 HB3 PRO 11 2HB PRO 11 17.044 -19.268 -3.501 60 HG2 PRO 11 1HG PRO 11 16.177 -16.534 -2.645 61 HG3 PRO 11 2HG PRO 11 17.798 -17.111 -3.072 62 HD2 PRO 11 1HD PRO 11 16.253 -15.704 -4.794 63 HD3 PRO 11 2HD PRO 11 17.398 -16.948 -5.336 64 H VAL 12 H VAL 12 13.909 -20.232 -2.608 65 HA VAL 12 HA VAL 12 11.689 -18.354 -2.118 66 HB VAL 12 HB VAL 12 10.947 -20.275 -3.461 67 HG11 VAL 12 1HG1 VAL 12 12.562 -21.927 -2.716 68 HG12 VAL 12 2HG1 VAL 12 11.854 -21.920 -1.100 69 HG13 VAL 12 3HG1 VAL 12 10.922 -22.524 -2.470 70 HG21 VAL 12 1HG2 VAL 12 8.977 -20.174 -2.426 71 HG22 VAL 12 2HG2 VAL 12 9.601 -21.024 -1.012 72 HG23 VAL 12 3HG2 VAL 12 9.784 -19.275 -1.141 73 H THR 13 H THR 13 11.250 -17.875 -0.055 74 HA THR 13 HA THR 13 12.763 -19.295 2.026 75 HB THR 13 HB THR 13 13.181 -16.879 1.891 76 HG1 THR 13 1HG THR 13 11.738 -16.968 4.243 77 HG21 THR 13 1HG2 THR 13 11.424 -15.633 1.239 78 HG22 THR 13 2HG2 THR 13 10.996 -15.629 2.950 79 HG23 THR 13 3HG2 THR 13 10.250 -16.794 1.857 80 H LYS 14 H LYS 14 11.712 -19.607 4.121 81 HA LYS 14 HA LYS 14 9.251 -20.942 3.887 82 HB2 LYS 14 1HB LYS 14 10.940 -21.429 5.629 83 HB3 LYS 14 2HB LYS 14 10.575 -19.887 6.394 84 HG2 LYS 14 1HG LYS 14 9.318 -21.315 7.663 85 HG3 LYS 14 2HG LYS 14 8.136 -20.825 6.447 86 HD2 LYS 14 1HD LYS 14 8.164 -22.864 5.401 87 HD3 LYS 14 2HD LYS 14 9.823 -23.215 5.893 88 HE2 LYS 14 1HE LYS 14 7.425 -23.212 7.724 89 HE3 LYS 14 2HE LYS 14 8.165 -24.651 7.024 90 HZ1 LYS 14 1HZ LYS 14 8.908 -23.249 9.348 91 HZ2 LYS 14 2HZ LYS 14 10.191 -23.191 8.248 92 HZ3 LYS 14 3HZ LYS 14 9.556 -24.684 8.727 93 H VAL 15 H VAL 15 7.182 -20.327 4.169 94 HA VAL 15 HA VAL 15 6.592 -17.726 5.360 95 HB VAL 15 HB VAL 15 6.802 -17.246 2.971 96 HG11 VAL 15 1HG1 VAL 15 6.304 -18.890 1.549 97 HG12 VAL 15 2HG1 VAL 15 5.305 -19.726 2.740 98 HG13 VAL 15 3HG1 VAL 15 4.617 -18.425 1.767 99 HG21 VAL 15 1HG2 VAL 15 4.904 -16.340 4.555 100 HG22 VAL 15 2HG2 VAL 15 4.929 -15.932 2.840 101 HG23 VAL 15 3HG2 VAL 15 3.860 -17.205 3.428 102 H HIS 16 H HIS 16 4.421 -17.491 6.059 103 HA HIS 16 HA HIS 16 2.612 -19.741 5.795 104 HB2 HIS 16 1HB HIS 16 2.358 -19.675 8.402 105 HB3 HIS 16 2HB HIS 16 3.634 -20.640 7.668 106 HD1 HIS 16 1HD HIS 16 5.198 -20.490 9.680 107 HD2 HIS 16 2HD HIS 16 4.098 -16.785 8.157 108 HE1 HIS 16 1HE HIS 16 6.714 -18.826 10.800 109 HE2 HIS 16 2HE HIS 16 5.973 -16.583 9.927 110 H GLY 17 H GLY 17 0.479 -19.196 6.109 111 HA2 GLY 17 1HA GLY 17 -0.713 -17.248 7.534 112 HA3 GLY 17 2HA GLY 17 -0.080 -16.353 6.160 113 H GLY 18 H GLY 18 -2.218 -15.810 5.534 114 HA2 GLY 18 1HA GLY 18 -3.557 -16.467 3.566 115 HA3 GLY 18 2HA GLY 18 -3.662 -18.067 4.285 116 H ALA 19 H ALA 19 -4.047 -14.916 5.856 117 HA ALA 19 HA ALA 19 -6.504 -15.791 7.079 118 HB1 ALA 19 1HB ALA 19 -5.456 -14.480 8.593 119 HB2 ALA 19 2HB ALA 19 -4.678 -13.487 7.361 120 HB3 ALA 19 3HB ALA 19 -6.368 -13.207 7.780 121 H GLY 20 H GLY 20 -8.565 -15.027 6.712 122 HA2 GLY 20 1HA GLY 20 -10.228 -13.724 5.695 123 HA3 GLY 20 2HA GLY 20 -9.000 -12.999 4.667 124 H SER 21 H SER 21 -9.699 -13.337 2.649 125 HA SER 21 HA SER 21 -10.222 -14.427 0.721 126 HB2 SER 21 1HB SER 21 -8.280 -15.850 1.298 127 HB3 SER 21 2HB SER 21 -9.349 -16.913 2.213 128 HG SER 21 HG SER 21 -8.860 -16.867 -0.433 129 H ALA 22 H ALA 22 -12.294 -13.864 2.478 130 HA ALA 22 HA ALA 22 -13.983 -16.151 2.847 131 HB1 ALA 22 1HB ALA 22 -14.549 -14.608 4.408 132 HB2 ALA 22 2HB ALA 22 -14.182 -13.242 3.353 133 HB3 ALA 22 3HB ALA 22 -15.694 -14.127 3.155 134 H GLN 23 H GLN 23 -16.217 -16.210 1.923 135 HA GLN 23 HA GLN 23 -16.051 -15.816 -0.962 136 HB2 GLN 23 1HB GLN 23 -17.973 -17.367 0.774 137 HB3 GLN 23 2HB GLN 23 -18.159 -17.204 -0.967 138 HG2 GLN 23 1HG GLN 23 -17.091 -19.220 -0.815 139 HG3 GLN 23 2HG GLN 23 -15.726 -18.126 -1.035 140 HE21 GLN 23 1HE2 GLN 23 -14.245 -17.903 0.565 141 HE22 GLN 23 2HE2 GLN 23 -14.267 -18.813 2.033 142 H ARG 24 H ARG 24 -18.379 -15.183 1.662 143 HA ARG 24 HA ARG 24 -20.366 -13.861 0.440 144 HB2 ARG 24 1HB ARG 24 -20.349 -12.271 2.472 145 HB3 ARG 24 2HB ARG 24 -20.542 -13.994 2.763 146 HG2 ARG 24 1HG ARG 24 -17.953 -13.955 3.046 147 HG3 ARG 24 2HG ARG 24 -18.206 -12.230 3.319 148 HD2 ARG 24 1HD ARG 24 -19.723 -12.700 5.139 149 HD3 ARG 24 2HD ARG 24 -19.619 -14.430 4.819 150 HE ARG 24 HE ARG 24 -17.104 -13.982 5.329 151 HH11 ARG 24 2HH1 ARG 24 -19.861 -12.553 6.904 152 HH12 ARG 24 1HH1 ARG 24 -19.047 -12.336 8.418 153 HH21 ARG 24 2HH2 ARG 24 -16.022 -13.701 7.317 154 HH22 ARG 24 1HH2 ARG 24 -16.863 -12.988 8.651 155 H MET 25 H MET 25 -17.442 -12.153 1.576 156 HA MET 25 HA MET 25 -17.239 -10.607 -0.809 157 HB2 MET 25 1HB MET 25 -18.037 -8.546 -0.169 158 HB3 MET 25 2HB MET 25 -19.184 -9.599 0.649 159 HG2 MET 25 1HG MET 25 -16.725 -8.502 1.980 160 HG3 MET 25 2HG MET 25 -18.284 -7.682 1.997 161 HE1 MET 25 1HE MET 25 -16.129 -10.338 4.022 162 HE2 MET 25 2HE MET 25 -16.363 -8.607 4.264 163 HE3 MET 25 3HE MET 25 -17.081 -9.761 5.390 164 HA PRO 26 HA PRO 26 -13.112 -10.219 0.638 165 HB2 PRO 26 1HB PRO 26 -12.329 -7.951 -0.633 166 HB3 PRO 26 2HB PRO 26 -12.572 -9.488 -1.472 167 HG2 PRO 26 1HG PRO 26 -14.407 -7.132 -1.268 168 HG3 PRO 26 2HG PRO 26 -14.024 -8.133 -2.681 169 HD2 PRO 26 1HD PRO 26 -16.296 -8.451 -1.242 170 HD3 PRO 26 2HD PRO 26 -15.478 -9.806 -2.046 171 H LEU 27 H LEU 27 -11.881 -9.215 2.197 172 HA LEU 27 HA LEU 27 -13.200 -7.020 3.641 173 HB2 LEU 27 1HB LEU 27 -12.444 -9.416 4.604 174 HB3 LEU 27 2HB LEU 27 -10.974 -8.492 4.905 175 HG LEU 27 HG LEU 27 -12.365 -8.521 6.882 176 HD11 LEU 27 1HD1 LEU 27 -11.436 -6.192 5.573 177 HD12 LEU 27 2HD1 LEU 27 -11.627 -6.477 7.303 178 HD13 LEU 27 3HD1 LEU 27 -12.956 -5.788 6.370 179 HD21 LEU 27 1HD2 LEU 27 -14.588 -8.066 6.951 180 HD22 LEU 27 2HD2 LEU 27 -14.496 -8.651 5.290 181 HD23 LEU 27 3HD2 LEU 27 -14.510 -6.917 5.616 182 H CYS 28 H CYS 28 -12.355 -5.077 3.344 183 HA CYS 28 HA CYS 28 -10.039 -4.471 1.973 184 HB2 CYS 28 1HB CYS 28 -11.908 -2.888 2.572 185 HB3 CYS 28 2HB CYS 28 -11.206 -2.772 4.182 186 H ASP 29 H ASP 29 -8.017 -5.008 2.431 187 HA ASP 29 HA ASP 29 -7.145 -5.719 5.047 188 HB2 ASP 29 1HB ASP 29 -5.905 -5.516 2.352 189 HB3 ASP 29 2HB ASP 29 -4.821 -5.460 3.740 190 H LYS 30 H LYS 30 -7.837 -2.774 3.848 191 HA LYS 30 HA LYS 30 -5.601 -1.385 5.130 192 HB2 LYS 30 1HB LYS 30 -6.233 -0.631 2.889 193 HB3 LYS 30 2HB LYS 30 -7.874 -0.323 3.441 194 HG2 LYS 30 1HG LYS 30 -7.130 1.779 3.664 195 HG3 LYS 30 2HG LYS 30 -6.485 1.182 5.195 196 HD2 LYS 30 1HD LYS 30 -4.394 0.563 3.825 197 HD3 LYS 30 2HD LYS 30 -5.055 1.647 2.598 198 HE2 LYS 30 1HE LYS 30 -3.464 2.804 4.047 199 HE3 LYS 30 2HE LYS 30 -5.087 3.472 4.213 200 HZ1 LYS 30 1HZ LYS 30 -3.820 3.090 6.335 201 HZ2 LYS 30 2HZ LYS 30 -4.011 1.431 6.068 202 HZ3 LYS 30 3HZ LYS 30 -5.371 2.415 6.278 203 H CYS 31 H CYS 31 -9.164 -1.177 5.079 204 HA CYS 31 HA CYS 31 -9.050 -0.141 7.834 205 HB2 CYS 31 1HB CYS 31 -11.204 0.901 7.420 206 HB3 CYS 31 2HB CYS 31 -10.067 1.383 6.165 207 H GLY 32 H GLY 32 -9.199 -2.989 6.601 208 HA2 GLY 32 1HA GLY 32 -10.402 -4.945 6.935 209 HA3 GLY 32 2HA GLY 32 -10.300 -4.400 8.603 210 H SER 33 H SER 33 -12.167 -3.148 5.848 211 HA SER 33 HA SER 33 -14.620 -3.694 7.387 212 HB2 SER 33 1HB SER 33 -13.741 -1.208 7.096 213 HB3 SER 33 2HB SER 33 -14.518 -1.363 5.521 214 HG SER 33 HG SER 33 -15.662 -0.848 7.839 215 H GLY 34 H GLY 34 -16.179 -4.769 6.340 216 HA2 GLY 34 1HA GLY 34 -15.862 -6.185 4.052 217 HA3 GLY 34 2HA GLY 34 -17.436 -5.624 4.598 218 H ILE 35 H ILE 35 -16.184 -5.958 1.878 219 HA ILE 35 HA ILE 35 -16.564 -3.196 0.921 220 HB ILE 35 HB ILE 35 -15.101 -5.410 -0.517 221 HG12 ILE 35 1HG1 ILE 35 -13.718 -3.043 0.677 222 HG13 ILE 35 2HG1 ILE 35 -14.136 -4.396 1.723 223 HG21 ILE 35 1HG2 ILE 35 -16.094 -2.878 -1.343 224 HG22 ILE 35 2HG2 ILE 35 -14.332 -2.814 -1.346 225 HG23 ILE 35 3HG2 ILE 35 -15.171 -4.058 -2.273 226 HD11 ILE 35 1HD1 ILE 35 -12.186 -4.259 -0.515 227 HD12 ILE 35 2HD1 ILE 35 -12.016 -4.963 1.093 228 HD13 ILE 35 3HD1 ILE 35 -12.957 -5.800 -0.141 229 H VAL 36 H VAL 36 -18.371 -2.826 -0.166 230 HA VAL 36 HA VAL 36 -19.500 -4.932 -1.857 231 HB VAL 36 HB VAL 36 -21.094 -3.412 0.212 232 HG11 VAL 36 1HG1 VAL 36 -21.965 -4.190 -2.271 233 HG12 VAL 36 2HG1 VAL 36 -22.436 -5.549 -1.249 234 HG13 VAL 36 3HG1 VAL 36 -22.988 -3.919 -0.861 235 HG21 VAL 36 1HG2 VAL 36 -19.943 -6.120 0.083 236 HG22 VAL 36 2HG2 VAL 36 -20.354 -5.126 1.480 237 HG23 VAL 36 3HG2 VAL 36 -21.615 -6.027 0.639 238 H GLY 37 H GLY 37 -19.712 -4.101 -3.823 239 HA2 GLY 37 1HA GLY 37 -21.036 -2.513 -5.170 240 HA3 GLY 37 2HA GLY 37 -20.502 -1.263 -4.056 241 H ALA 38 H ALA 38 -17.872 -1.550 -3.836 242 HA ALA 38 HA ALA 38 -16.694 -1.853 -6.482 243 HB1 ALA 38 1HB ALA 38 -15.792 0.640 -5.317 244 HB2 ALA 38 2HB ALA 38 -16.383 0.302 -6.945 245 HB3 ALA 38 3HB ALA 38 -17.524 0.655 -5.648 246 H VAL 39 H VAL 39 -14.739 -2.749 -6.341 247 HA VAL 39 HA VAL 39 -13.160 -2.368 -3.896 248 HB VAL 39 HB VAL 39 -14.516 -4.620 -4.060 249 HG11 VAL 39 1HG1 VAL 39 -13.581 -6.346 -5.287 250 HG12 VAL 39 2HG1 VAL 39 -13.427 -4.975 -6.388 251 HG13 VAL 39 3HG1 VAL 39 -12.031 -5.523 -5.458 252 HG21 VAL 39 1HG2 VAL 39 -13.204 -4.471 -2.197 253 HG22 VAL 39 2HG2 VAL 39 -12.339 -5.743 -3.059 254 HG23 VAL 39 3HG2 VAL 39 -11.750 -4.081 -3.115 255 H VAL 40 H VAL 40 -10.894 -2.762 -4.150 256 HA VAL 40 HA VAL 40 -9.980 -2.800 -6.951 257 HB VAL 40 HB VAL 40 -8.892 -1.067 -4.727 258 HG11 VAL 40 1HG1 VAL 40 -7.277 -0.250 -6.281 259 HG12 VAL 40 2HG1 VAL 40 -7.173 -2.012 -6.286 260 HG13 VAL 40 3HG1 VAL 40 -7.995 -1.172 -7.601 261 HG21 VAL 40 1HG2 VAL 40 -10.386 -0.399 -7.259 262 HG22 VAL 40 2HG2 VAL 40 -10.939 -0.159 -5.602 263 HG23 VAL 40 3HG2 VAL 40 -9.590 0.790 -6.228 264 H LYS 41 H LYS 41 -9.145 -4.810 -7.085 265 HA LYS 41 HA LYS 41 -7.272 -5.677 -4.988 266 HB2 LYS 41 1HB LYS 41 -8.680 -7.458 -5.091 267 HB3 LYS 41 2HB LYS 41 -9.193 -7.092 -6.733 268 HG2 LYS 41 1HG LYS 41 -6.895 -7.924 -7.457 269 HG3 LYS 41 2HG LYS 41 -6.755 -8.584 -5.825 270 HD2 LYS 41 1HD LYS 41 -9.093 -9.621 -6.353 271 HD3 LYS 41 2HD LYS 41 -8.621 -9.350 -8.032 272 HE2 LYS 41 1HE LYS 41 -6.457 -10.566 -7.434 273 HE3 LYS 41 2HE LYS 41 -7.286 -11.074 -5.963 274 HZ1 LYS 41 1HZ LYS 41 -7.614 -12.001 -8.671 275 HZ2 LYS 41 2HZ LYS 41 -9.076 -11.680 -7.884 276 HZ3 LYS 41 3HZ LYS 41 -7.976 -12.775 -7.210 277 H ALA 42 H ALA 42 -5.170 -5.757 -5.432 278 HA ALA 42 HA ALA 42 -4.242 -5.111 -8.092 279 HB1 ALA 42 1HB ALA 42 -2.955 -5.379 -5.411 280 HB2 ALA 42 2HB ALA 42 -1.959 -5.389 -6.866 281 HB3 ALA 42 3HB ALA 42 -2.986 -4.001 -6.511 282 H ARG 43 H ARG 43 -2.769 -7.481 -5.919 283 HA ARG 43 HA ARG 43 -2.541 -9.321 -8.188 284 HB2 ARG 43 1HB ARG 43 -0.601 -8.503 -6.557 285 HB3 ARG 43 2HB ARG 43 -1.182 -9.852 -5.592 286 HG2 ARG 43 1HG ARG 43 -0.701 -11.407 -7.318 287 HG3 ARG 43 2HG ARG 43 -0.395 -10.115 -8.480 288 HD2 ARG 43 1HD ARG 43 1.554 -9.409 -7.200 289 HD3 ARG 43 2HD ARG 43 1.235 -10.664 -6.003 290 HE ARG 43 HE ARG 43 1.489 -12.158 -8.155 291 HH11 ARG 43 2HH1 ARG 43 3.381 -9.407 -7.168 292 HH12 ARG 43 1HH1 ARG 43 4.830 -9.964 -7.937 293 HH21 ARG 43 2HH2 ARG 43 3.391 -12.902 -9.171 294 HH22 ARG 43 1HH2 ARG 43 4.835 -11.951 -9.077 295 H ASP 44 H ASP 44 -2.673 -9.994 -4.709 296 HA ASP 44 HA ASP 44 -4.878 -11.875 -5.246 297 HB2 ASP 44 1HB ASP 44 -2.807 -12.150 -3.063 298 HB3 ASP 44 2HB ASP 44 -4.006 -13.343 -3.558 299 H LYS 45 H LYS 45 -3.655 -9.318 -3.254 300 HA LYS 45 HA LYS 45 -5.725 -9.595 -1.250 301 HB2 LYS 45 1HB LYS 45 -3.384 -7.795 -1.672 302 HB3 LYS 45 2HB LYS 45 -4.689 -7.230 -0.638 303 HG2 LYS 45 1HG LYS 45 -4.389 -9.574 0.495 304 HG3 LYS 45 2HG LYS 45 -2.784 -9.478 -0.231 305 HD2 LYS 45 1HD LYS 45 -3.949 -7.274 1.455 306 HD3 LYS 45 2HD LYS 45 -2.998 -8.597 2.134 307 HE2 LYS 45 1HE LYS 45 -2.004 -6.832 -0.093 308 HE3 LYS 45 2HE LYS 45 -1.736 -6.468 1.611 309 HZ1 LYS 45 1HZ LYS 45 -0.372 -8.316 -0.072 310 HZ2 LYS 45 2HZ LYS 45 -0.966 -9.082 1.314 311 HZ3 LYS 45 3HZ LYS 45 0.057 -7.743 1.461 312 H TYR 46 H TYR 46 -7.059 -7.631 -0.694 313 HA TYR 46 HA TYR 46 -7.923 -6.214 -3.126 314 HB2 TYR 46 1HB TYR 46 -9.729 -7.376 -0.995 315 HB3 TYR 46 2HB TYR 46 -10.256 -6.428 -2.381 316 HD1 TYR 46 1HD TYR 46 -8.083 -9.420 -1.788 317 HD2 TYR 46 2HD TYR 46 -11.195 -7.649 -4.086 318 HE1 TYR 46 1HE TYR 46 -8.263 -11.480 -3.120 319 HE2 TYR 46 2HE TYR 46 -11.385 -9.705 -5.423 320 HH TYR 46 HH TYR 46 -9.278 -11.856 -5.796 321 H ARG 47 H ARG 47 -8.692 -4.115 -2.849 322 HA ARG 47 HA ARG 47 -8.681 -2.966 -0.170 323 HB2 ARG 47 1HB ARG 47 -6.887 -1.995 -2.400 324 HB3 ARG 47 2HB ARG 47 -7.206 -1.095 -0.923 325 HG2 ARG 47 1HG ARG 47 -6.183 -3.879 -0.700 326 HG3 ARG 47 2HG ARG 47 -5.069 -2.595 -1.172 327 HD2 ARG 47 1HD ARG 47 -5.678 -1.333 0.836 328 HD3 ARG 47 2HD ARG 47 -6.789 -2.619 1.305 329 HE ARG 47 HE ARG 47 -4.981 -3.938 1.921 330 HH11 ARG 47 2HH1 ARG 47 -3.914 -0.978 0.431 331 HH12 ARG 47 1HH1 ARG 47 -2.268 -1.162 0.939 332 HH21 ARG 47 2HH2 ARG 47 -2.817 -4.192 2.595 333 HH22 ARG 47 1HH2 ARG 47 -1.645 -2.992 2.169 334 H HIS 48 H HIS 48 -9.961 -1.156 0.042 335 HA HIS 48 HA HIS 48 -12.110 -0.830 -1.682 336 HB2 HIS 48 1HB HIS 48 -10.977 0.728 0.580 337 HB3 HIS 48 2HB HIS 48 -12.130 1.556 -0.462 338 HD2 HIS 48 2HD HIS 48 -14.323 -0.808 -0.861 339 HE1 HIS 48 1HE HIS 48 -14.401 -0.938 3.379 340 HE2 HIS 48 2HE HIS 48 -15.558 -1.639 1.254 341 HA PRO 49 HA PRO 49 -10.856 1.802 -4.958 342 HB2 PRO 49 1HB PRO 49 -12.945 3.519 -5.195 343 HB3 PRO 49 2HB PRO 49 -13.041 1.820 -5.670 344 HG2 PRO 49 1HG PRO 49 -13.987 3.140 -3.155 345 HG3 PRO 49 2HG PRO 49 -14.797 1.915 -4.149 346 HD2 PRO 49 1HD PRO 49 -13.490 1.301 -1.858 347 HD3 PRO 49 2HD PRO 49 -13.576 0.186 -3.237 348 H GLU 50 H GLU 50 -11.343 3.091 -1.839 349 HA GLU 50 HA GLU 50 -10.015 5.602 -2.626 350 HB2 GLU 50 1HB GLU 50 -11.088 6.705 -0.773 351 HB3 GLU 50 2HB GLU 50 -12.318 5.897 -1.734 352 HG2 GLU 50 1HG GLU 50 -12.045 3.967 -0.045 353 HG3 GLU 50 2HG GLU 50 -11.270 5.181 0.971 354 H CYS 51 H CYS 51 -10.008 2.840 -0.528 355 HA CYS 51 HA CYS 51 -8.066 3.797 1.323 356 HB2 CYS 51 1HB CYS 51 -9.035 1.025 0.625 357 HB3 CYS 51 2HB CYS 51 -7.828 1.328 1.870 358 H PHE 52 H PHE 52 -7.926 2.106 -1.742 359 HA PHE 52 HA PHE 52 -5.333 1.147 -1.720 360 HB2 PHE 52 1HB PHE 52 -7.285 1.144 -3.557 361 HB3 PHE 52 2HB PHE 52 -6.275 2.417 -4.237 362 HD1 PHE 52 2HD PHE 52 -5.364 -0.732 -2.471 363 HD2 PHE 52 1HD PHE 52 -5.218 1.521 -6.079 364 HE1 PHE 52 2HE PHE 52 -3.898 -2.436 -3.472 365 HE2 PHE 52 1HE PHE 52 -3.753 -0.180 -7.086 366 HZ PHE 52 HZ PHE 52 -3.090 -2.161 -5.782 367 H VAL 53 H VAL 53 -3.702 2.342 -0.913 368 HA VAL 53 HA VAL 53 -2.742 4.562 -2.472 369 HB VAL 53 HB VAL 53 -2.664 6.200 -0.686 370 HG11 VAL 53 1HG1 VAL 53 -5.454 5.110 -1.046 371 HG12 VAL 53 2HG1 VAL 53 -5.037 6.748 -0.540 372 HG13 VAL 53 3HG1 VAL 53 -4.617 6.191 -2.160 373 HG21 VAL 53 1HG2 VAL 53 -2.492 4.899 1.274 374 HG22 VAL 53 2HG2 VAL 53 -4.036 5.743 1.400 375 HG23 VAL 53 3HG2 VAL 53 -3.996 4.043 0.933 376 H CYS 54 H CYS 54 -0.679 5.469 -1.442 377 HA CYS 54 HA CYS 54 1.090 3.312 -0.962 378 HB2 CYS 54 1HB CYS 54 1.658 5.532 -2.046 379 HB3 CYS 54 2HB CYS 54 1.658 6.229 -0.429 380 H ALA 55 H ALA 55 2.651 3.337 0.931 381 HA ALA 55 HA ALA 55 1.089 3.596 3.408 382 HB1 ALA 55 1HB ALA 55 2.835 2.019 4.333 383 HB2 ALA 55 2HB ALA 55 1.765 1.354 3.099 384 HB3 ALA 55 3HB ALA 55 3.410 1.829 2.676 385 H ASP 56 H ASP 56 3.372 5.238 1.709 386 HA ASP 56 HA ASP 56 4.639 6.294 4.153 387 HB2 ASP 56 1HB ASP 56 6.061 5.130 2.289 388 HB3 ASP 56 2HB ASP 56 5.844 6.653 1.431 389 H CYS 57 H CYS 57 3.235 7.098 1.018 390 HA CYS 57 HA CYS 57 2.957 9.886 1.935 391 HB2 CYS 57 1HB CYS 57 2.892 10.511 -0.474 392 HB3 CYS 57 2HB CYS 57 4.426 9.798 0.017 393 H ASN 58 H ASN 58 1.331 7.049 1.218 394 HA ASN 58 HA ASN 58 -0.863 6.494 0.995 395 HB2 ASN 58 1HB ASN 58 -0.848 8.281 2.948 396 HB3 ASN 58 2HB ASN 58 -1.726 9.248 1.768 397 HD21 ASN 58 1HD2 ASN 58 -3.835 8.916 1.522 398 HD22 ASN 58 2HD2 ASN 58 -4.729 7.619 2.234 399 H LEU 59 H LEU 59 0.337 7.207 -1.347 400 HA LEU 59 HA LEU 59 -1.442 9.053 -2.737 401 HB2 LEU 59 1HB LEU 59 1.184 8.729 -2.975 402 HB3 LEU 59 2HB LEU 59 0.672 7.533 -4.163 403 HG LEU 59 HG LEU 59 -0.005 10.474 -4.209 404 HD11 LEU 59 1HD1 LEU 59 2.281 10.237 -4.763 405 HD12 LEU 59 2HD1 LEU 59 1.415 10.388 -6.292 406 HD13 LEU 59 3HD1 LEU 59 1.971 8.806 -5.746 407 HD21 LEU 59 1HD2 LEU 59 -0.982 8.138 -5.728 408 HD22 LEU 59 2HD2 LEU 59 -0.578 9.572 -6.672 409 HD23 LEU 59 3HD2 LEU 59 -1.769 9.676 -5.375 410 H ASN 60 H ASN 60 -3.005 8.456 -4.124 411 HA ASN 60 HA ASN 60 -4.138 5.939 -4.084 412 HB2 ASN 60 1HB ASN 60 -4.315 8.127 -6.159 413 HB3 ASN 60 2HB ASN 60 -5.303 6.670 -6.218 414 HD21 ASN 60 1HD2 ASN 60 -6.493 6.199 -4.136 415 HD22 ASN 60 2HD2 ASN 60 -7.238 7.548 -3.355 416 H LEU 61 H LEU 61 -3.143 4.108 -4.631 417 HA LEU 61 HA LEU 61 -1.302 4.052 -6.889 418 HB2 LEU 61 1HB LEU 61 -2.042 1.758 -5.093 419 HB3 LEU 61 2HB LEU 61 -0.611 1.924 -6.108 420 HG LEU 61 HG LEU 61 -1.167 3.635 -3.688 421 HD11 LEU 61 1HD1 LEU 61 -0.813 1.652 -2.633 422 HD12 LEU 61 2HD1 LEU 61 0.864 2.133 -2.888 423 HD13 LEU 61 3HD1 LEU 61 0.106 0.970 -3.975 424 HD21 LEU 61 1HD2 LEU 61 0.675 3.854 -5.822 425 HD22 LEU 61 2HD2 LEU 61 1.581 3.371 -4.388 426 HD23 LEU 61 3HD2 LEU 61 0.582 4.824 -4.352 427 H LYS 62 H LYS 62 -4.402 4.149 -6.921 428 HA LYS 62 HA LYS 62 -5.299 1.736 -8.086 429 HB2 LYS 62 1HB LYS 62 -6.955 3.182 -7.214 430 HB3 LYS 62 2HB LYS 62 -6.348 4.558 -8.125 431 HG2 LYS 62 1HG LYS 62 -8.280 3.968 -9.257 432 HG3 LYS 62 2HG LYS 62 -7.003 3.208 -10.209 433 HD2 LYS 62 1HD LYS 62 -7.491 1.181 -8.579 434 HD3 LYS 62 2HD LYS 62 -9.064 1.973 -8.453 435 HE2 LYS 62 1HE LYS 62 -9.578 1.600 -10.660 436 HE3 LYS 62 2HE LYS 62 -7.888 1.543 -11.156 437 HZ1 LYS 62 1HZ LYS 62 -9.113 -0.631 -11.179 438 HZ2 LYS 62 2HZ LYS 62 -9.136 -0.563 -9.489 439 HZ3 LYS 62 3HZ LYS 62 -7.660 -0.629 -10.312 440 H GLN 63 H GLN 63 -4.828 4.883 -9.702 441 HA GLN 63 HA GLN 63 -4.690 3.637 -12.282 442 HB2 GLN 63 1HB GLN 63 -4.118 5.986 -13.037 443 HB3 GLN 63 2HB GLN 63 -5.668 5.796 -12.229 444 HG2 GLN 63 1HG GLN 63 -4.908 6.826 -10.273 445 HG3 GLN 63 2HG GLN 63 -3.216 6.650 -10.737 446 HE21 GLN 63 1HE2 GLN 63 -2.737 7.758 -12.923 447 HE22 GLN 63 2HE2 GLN 63 -3.343 9.368 -13.080 448 H LYS 64 H LYS 64 -2.385 5.055 -10.022 449 HA LYS 64 HA LYS 64 -0.141 4.843 -11.775 450 HB2 LYS 64 1HB LYS 64 -0.241 5.127 -8.766 451 HB3 LYS 64 2HB LYS 64 1.195 5.332 -9.760 452 HG2 LYS 64 1HG LYS 64 0.138 7.228 -10.891 453 HG3 LYS 64 2HG LYS 64 -1.291 7.028 -9.873 454 HD2 LYS 64 1HD LYS 64 0.042 7.475 -7.885 455 HD3 LYS 64 2HD LYS 64 1.497 7.618 -8.875 456 HE2 LYS 64 1HE LYS 64 0.620 9.815 -8.296 457 HE3 LYS 64 2HE LYS 64 0.520 9.537 -10.034 458 HZ1 LYS 64 1HZ LYS 64 -1.862 8.646 -8.884 459 HZ2 LYS 64 2HZ LYS 64 -1.635 9.958 -9.928 460 HZ3 LYS 64 3HZ LYS 64 -1.547 10.184 -8.253 461 H GLY 65 H GLY 65 1.510 3.324 -11.801 462 HA2 GLY 65 1HA GLY 65 0.830 0.649 -11.474 463 HA3 GLY 65 2HA GLY 65 2.475 1.250 -11.611 464 H TYR 66 H TYR 66 0.113 -0.088 -9.545 465 HA TYR 66 HA TYR 66 1.128 0.682 -7.034 466 HB2 TYR 66 1HB TYR 66 -0.240 -1.028 -6.112 467 HB3 TYR 66 2HB TYR 66 -1.109 -0.413 -7.514 468 HD1 TYR 66 2HD TYR 66 0.877 -3.237 -6.217 469 HD2 TYR 66 1HD TYR 66 -1.563 -1.811 -9.398 470 HE1 TYR 66 2HE TYR 66 0.726 -5.520 -7.117 471 HE2 TYR 66 1HE TYR 66 -1.722 -4.091 -10.306 472 HH TYR 66 HH TYR 66 -1.179 -6.744 -8.717 473 H PHE 67 H PHE 67 2.094 -0.913 -5.455 474 HA PHE 67 HA PHE 67 3.945 -2.807 -6.687 475 HB2 PHE 67 1HB PHE 67 4.715 -0.323 -5.216 476 HB3 PHE 67 2HB PHE 67 5.704 -1.765 -5.008 477 HD1 PHE 67 1HD PHE 67 4.155 0.255 -7.734 478 HD2 PHE 67 2HD PHE 67 7.470 -2.080 -6.439 479 HE1 PHE 67 1HE PHE 67 5.332 0.768 -9.833 480 HE2 PHE 67 2HE PHE 67 8.652 -1.570 -8.536 481 HZ PHE 67 HZ PHE 67 7.584 -0.144 -10.236 482 H PHE 68 H PHE 68 4.878 -4.311 -5.178 483 HA PHE 68 HA PHE 68 3.432 -4.465 -2.617 484 HB2 PHE 68 1HB PHE 68 3.758 -6.508 -4.758 485 HB3 PHE 68 2HB PHE 68 3.815 -7.065 -3.089 486 HD1 PHE 68 1HD PHE 68 1.864 -5.910 -1.595 487 HD2 PHE 68 2HD PHE 68 1.723 -6.656 -5.783 488 HE1 PHE 68 1HE PHE 68 -0.595 -5.909 -1.509 489 HE2 PHE 68 2HE PHE 68 -0.736 -6.654 -5.704 490 HZ PHE 68 HZ PHE 68 -1.898 -6.280 -3.566 491 H VAL 69 H VAL 69 4.978 -3.914 -1.192 492 HA VAL 69 HA VAL 69 7.532 -5.383 -1.320 493 HB VAL 69 HB VAL 69 7.050 -2.624 -0.186 494 HG11 VAL 69 1HG1 VAL 69 8.836 -4.299 0.814 495 HG12 VAL 69 2HG1 VAL 69 9.769 -3.758 -0.584 496 HG13 VAL 69 3HG1 VAL 69 9.193 -2.585 0.602 497 HG21 VAL 69 1HG2 VAL 69 8.392 -1.810 -2.016 498 HG22 VAL 69 2HG2 VAL 69 8.660 -3.452 -2.599 499 HG23 VAL 69 3HG2 VAL 69 7.045 -2.747 -2.661 500 H GLU 70 H GLU 70 7.323 -7.008 0.101 501 HA GLU 70 HA GLU 70 7.101 -8.113 2.077 502 HB2 GLU 70 1HB GLU 70 7.384 -5.303 3.139 503 HB3 GLU 70 2HB GLU 70 7.286 -6.716 4.181 504 HG2 GLU 70 1HG GLU 70 9.328 -6.651 2.015 505 HG3 GLU 70 2HG GLU 70 9.596 -5.717 3.487 506 H GLY 71 H GLY 71 4.756 -7.488 0.644 507 HA2 GLY 71 1HA GLY 71 2.515 -7.980 1.087 508 HA3 GLY 71 2HA GLY 71 2.824 -7.733 2.799 509 H GLU 72 H GLU 72 4.051 -5.119 2.423 510 HA GLU 72 HA GLU 72 1.625 -3.568 2.387 511 HB2 GLU 72 1HB GLU 72 3.651 -3.253 3.943 512 HB3 GLU 72 2HB GLU 72 4.411 -2.449 2.577 513 HG2 GLU 72 1HG GLU 72 3.494 -0.731 3.864 514 HG3 GLU 72 2HG GLU 72 2.375 -0.940 2.518 515 H LEU 73 H LEU 73 1.315 -1.658 1.085 516 HA LEU 73 HA LEU 73 2.323 -2.043 -1.635 517 HB2 LEU 73 1HB LEU 73 -0.107 -0.858 -0.434 518 HB3 LEU 73 2HB LEU 73 0.485 -0.116 -1.919 519 HG LEU 73 HG LEU 73 0.119 -3.069 -1.873 520 HD11 LEU 73 1HD1 LEU 73 -1.937 -1.495 -0.975 521 HD12 LEU 73 2HD1 LEU 73 -2.108 -3.078 -1.732 522 HD13 LEU 73 3HD1 LEU 73 -2.268 -1.615 -2.703 523 HD21 LEU 73 1HD2 LEU 73 0.170 -2.857 -4.107 524 HD22 LEU 73 2HD2 LEU 73 0.888 -1.282 -3.769 525 HD23 LEU 73 3HD2 LEU 73 -0.841 -1.412 -4.096 526 H TYR 74 H TYR 74 2.756 -0.050 -2.924 527 HA TYR 74 HA TYR 74 3.466 2.365 -1.575 528 HB2 TYR 74 1HB TYR 74 5.655 0.468 -2.420 529 HB3 TYR 74 2HB TYR 74 5.927 2.190 -2.180 530 HD1 TYR 74 2HD TYR 74 5.484 3.174 0.111 531 HD2 TYR 74 1HD TYR 74 5.638 -1.019 -0.595 532 HE1 TYR 74 2HE TYR 74 5.838 2.788 2.514 533 HE2 TYR 74 1HE TYR 74 5.991 -1.416 1.807 534 HH TYR 74 HH TYR 74 5.387 -0.045 4.007 535 H CYS 75 H CYS 75 4.168 4.021 -3.019 536 HA CYS 75 HA CYS 75 3.082 3.732 -5.655 537 HB2 CYS 75 1HB CYS 75 3.753 6.103 -5.930 538 HB3 CYS 75 2HB CYS 75 2.810 5.833 -4.468 539 H GLU 76 H GLU 76 4.326 4.502 -7.594 540 HA GLU 76 HA GLU 76 6.430 2.828 -8.184 541 HB2 GLU 76 1HB GLU 76 5.036 4.186 -9.800 542 HB3 GLU 76 2HB GLU 76 6.066 5.558 -9.418 543 HG2 GLU 76 1HG GLU 76 8.009 4.349 -10.241 544 HG3 GLU 76 2HG GLU 76 6.998 2.949 -10.594 545 H THR 77 H THR 77 6.533 6.103 -6.880 546 HA THR 77 HA THR 77 9.321 6.481 -7.068 547 HB THR 77 HB THR 77 7.374 7.701 -5.100 548 HG1 THR 77 1HG THR 77 8.004 9.467 -6.865 549 HG21 THR 77 1HG2 THR 77 9.010 9.060 -4.337 550 HG22 THR 77 2HG2 THR 77 9.797 9.167 -5.912 551 HG23 THR 77 3HG2 THR 77 10.074 7.763 -4.881 552 H HIS 78 H HIS 78 7.487 5.999 -4.048 553 HA HIS 78 HA HIS 78 9.678 5.291 -2.483 554 HB2 HIS 78 1HB HIS 78 6.729 4.773 -2.231 555 HB3 HIS 78 2HB HIS 78 7.859 4.116 -1.050 556 HD2 HIS 78 2HD HIS 78 9.728 6.616 -0.404 557 HE1 HIS 78 1HE HIS 78 6.138 8.812 0.139 558 HE2 HIS 78 2HE HIS 78 8.630 8.775 0.505 559 H ALA 79 H ALA 79 7.253 3.124 -3.950 560 HA ALA 79 HA ALA 79 8.211 0.687 -3.214 561 HB1 ALA 79 1HB ALA 79 7.099 -0.248 -5.066 562 HB2 ALA 79 2HB ALA 79 6.200 1.217 -4.668 563 HB3 ALA 79 3HB ALA 79 7.315 1.211 -6.034 564 H ARG 80 H ARG 80 9.232 2.436 -6.153 565 HA ARG 80 HA ARG 80 11.124 0.705 -7.108 566 HB2 ARG 80 1HB ARG 80 10.789 3.655 -7.205 567 HB3 ARG 80 2HB ARG 80 12.356 3.015 -7.683 568 HG2 ARG 80 1HG ARG 80 11.044 1.457 -9.228 569 HG3 ARG 80 2HG ARG 80 9.675 2.530 -8.929 570 HD2 ARG 80 1HD ARG 80 10.565 3.483 -10.817 571 HD3 ARG 80 2HD ARG 80 11.397 4.399 -9.561 572 HE ARG 80 HE ARG 80 12.784 2.040 -10.501 573 HH11 ARG 80 2HH1 ARG 80 12.320 5.475 -10.823 574 HH12 ARG 80 1HH1 ARG 80 13.852 5.742 -11.587 575 HH21 ARG 80 2HH2 ARG 80 14.803 2.379 -11.507 576 HH22 ARG 80 1HH2 ARG 80 15.263 3.980 -11.976 577 H ALA 81 H ALA 81 11.515 3.105 -4.539 578 HA ALA 81 HA ALA 81 14.286 2.742 -4.154 579 HB1 ALA 81 1HB ALA 81 13.430 4.697 -3.232 580 HB2 ALA 81 2HB ALA 81 12.088 3.858 -2.452 581 HB3 ALA 81 3HB ALA 81 13.725 3.681 -1.820 582 H ARG 82 H ARG 82 11.486 0.997 -3.015 583 HA ARG 82 HA ARG 82 12.962 -0.493 -1.029 584 HB2 ARG 82 1HB ARG 82 10.174 -0.924 -2.121 585 HB3 ARG 82 2HB ARG 82 10.862 -1.730 -0.717 586 HG2 ARG 82 1HG ARG 82 10.750 0.163 0.594 587 HG3 ARG 82 2HG ARG 82 10.733 1.250 -0.797 588 HD2 ARG 82 1HD ARG 82 8.460 0.105 -1.327 589 HD3 ARG 82 2HD ARG 82 8.509 -0.377 0.369 590 HE ARG 82 HE ARG 82 7.883 2.196 -0.643 591 HH11 ARG 82 2HH1 ARG 82 9.497 0.587 1.988 592 HH12 ARG 82 1HH1 ARG 82 9.245 1.885 3.108 593 HH21 ARG 82 2HH2 ARG 82 7.546 3.912 0.822 594 HH22 ARG 82 1HH2 ARG 82 8.135 3.775 2.444 595 H THR 83 H THR 83 11.124 -1.491 -3.923 596 HA THR 83 HA THR 83 12.293 -4.058 -4.056 597 HB THR 83 HB THR 83 10.180 -3.708 -5.133 598 HG1 THR 83 1HG THR 83 10.906 -4.270 -7.418 599 HG21 THR 83 1HG2 THR 83 10.207 -2.299 -7.308 600 HG22 THR 83 2HG2 THR 83 11.639 -1.544 -6.609 601 HG23 THR 83 3HG2 THR 83 10.097 -1.467 -5.758 602 H SER 84 H SER 84 13.119 -0.975 -5.537 603 HA SER 84 HA SER 84 14.919 -0.276 -6.741 604 HB2 SER 84 1HB SER 84 16.072 -1.107 -4.673 605 HB3 SER 84 2HB SER 84 16.336 -2.643 -5.498 606 HG SER 84 HG SER 84 17.194 -0.865 -7.168 607 H GLY 85 H GLY 85 13.123 -1.847 -8.158 608 HA2 GLY 85 1HA GLY 85 13.551 -2.352 -10.524 609 HA3 GLY 85 2HA GLY 85 14.942 -3.284 -9.990 610 HA PRO 86 HA PRO 86 10.850 -5.719 -8.957 611 HB2 PRO 86 1HB PRO 86 8.778 -5.110 -10.603 612 HB3 PRO 86 2HB PRO 86 9.037 -4.311 -9.047 613 HG2 PRO 86 1HG PRO 86 9.740 -3.369 -11.801 614 HG3 PRO 86 2HG PRO 86 9.024 -2.461 -10.456 615 HD2 PRO 86 1HD PRO 86 11.654 -2.307 -11.081 616 HD3 PRO 86 2HD PRO 86 11.057 -2.153 -9.416 617 H SER 87 H SER 87 12.650 -5.178 -11.633 618 HA SER 87 HA SER 87 11.796 -6.465 -13.803 619 HB2 SER 87 1HB SER 87 14.099 -5.706 -13.607 620 HB3 SER 87 2HB SER 87 14.451 -6.979 -12.439 621 HG SER 87 HG SER 87 13.471 -8.211 -14.509 622 H SER 88 H SER 88 12.818 -8.117 -10.838 623 HA SER 88 HA SER 88 12.449 -10.745 -11.800 624 HB2 SER 88 1HB SER 88 12.618 -11.439 -9.488 625 HB3 SER 88 2HB SER 88 13.773 -10.136 -9.767 626 HG SER 88 HG SER 88 11.421 -10.149 -8.264 627 H GLY 89 H GLY 89 10.335 -8.572 -9.951 628 HA2 GLY 89 1HA GLY 89 8.066 -10.288 -10.741 629 HA3 GLY 89 2HA GLY 89 8.202 -9.654 -9.108 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -63.117 -9.498 -18.347 2 HA2 GLY 1 1HA GLY 1 -62.013 -12.138 -18.564 3 HA3 GLY 1 2HA GLY 1 -62.027 -11.290 -20.103 4 H SER 2 H SER 2 -61.203 -10.550 -16.711 5 HA SER 2 HA SER 2 -59.154 -8.708 -17.497 6 HB2 SER 2 1HB SER 2 -60.420 -8.405 -15.408 7 HB3 SER 2 2HB SER 2 -59.747 -9.910 -14.781 8 HG SER 2 HG SER 2 -58.220 -7.644 -15.554 9 H SER 3 H SER 3 -56.992 -9.002 -17.628 10 HA SER 3 HA SER 3 -56.036 -11.755 -17.585 11 HB2 SER 3 1HB SER 3 -55.401 -10.613 -19.559 12 HB3 SER 3 2HB SER 3 -54.902 -9.177 -18.665 13 HG SER 3 HG SER 3 -53.634 -11.717 -18.631 14 H GLY 4 H GLY 4 -54.992 -8.593 -16.302 15 HA2 GLY 4 1HA GLY 4 -54.183 -8.166 -14.146 16 HA3 GLY 4 2HA GLY 4 -54.095 -9.898 -13.861 17 H SER 5 H SER 5 -52.053 -8.234 -13.067 18 HA SER 5 HA SER 5 -49.917 -8.906 -14.984 19 HB2 SER 5 1HB SER 5 -50.126 -6.503 -14.869 20 HB3 SER 5 2HB SER 5 -50.116 -6.542 -13.106 21 HG SER 5 HG SER 5 -47.945 -7.726 -14.344 22 H SER 6 H SER 6 -48.081 -9.874 -14.215 23 HA SER 6 HA SER 6 -47.744 -10.256 -11.349 24 HB2 SER 6 1HB SER 6 -49.210 -12.138 -12.407 25 HB3 SER 6 2HB SER 6 -47.685 -12.710 -13.081 26 HG SER 6 HG SER 6 -47.782 -13.714 -11.168 27 H GLY 7 H GLY 7 -45.639 -10.617 -10.738 28 HA2 GLY 7 1HA GLY 7 -43.660 -10.834 -12.918 29 HA3 GLY 7 2HA GLY 7 -43.468 -9.662 -11.624 30 H VAL 8 H VAL 8 -41.464 -11.440 -12.119 31 HA VAL 8 HA VAL 8 -41.627 -13.220 -9.778 32 HB VAL 8 HB VAL 8 -40.178 -14.832 -10.926 33 HG11 VAL 8 1HG1 VAL 8 -42.052 -15.855 -11.532 34 HG12 VAL 8 2HG1 VAL 8 -42.903 -14.311 -11.472 35 HG13 VAL 8 3HG1 VAL 8 -42.157 -14.850 -12.977 36 HG21 VAL 8 1HG2 VAL 8 -38.919 -13.751 -12.504 37 HG22 VAL 8 2HG2 VAL 8 -40.159 -14.464 -13.535 38 HG23 VAL 8 3HG2 VAL 8 -40.269 -12.767 -13.069 39 H ARG 9 H ARG 9 -39.313 -13.951 -9.144 40 HA ARG 9 HA ARG 9 -37.380 -11.777 -9.502 41 HB2 ARG 9 1HB ARG 9 -36.895 -11.775 -7.078 42 HB3 ARG 9 2HB ARG 9 -38.534 -11.247 -7.436 43 HG2 ARG 9 1HG ARG 9 -39.004 -12.649 -5.729 44 HG3 ARG 9 2HG ARG 9 -39.023 -13.833 -7.038 45 HD2 ARG 9 1HD ARG 9 -36.744 -14.467 -6.549 46 HD3 ARG 9 2HD ARG 9 -36.622 -13.202 -5.327 47 HE ARG 9 HE ARG 9 -38.723 -14.724 -4.501 48 HH11 ARG 9 2HH1 ARG 9 -35.403 -15.378 -5.319 49 HH12 ARG 9 1HH1 ARG 9 -35.261 -16.715 -4.226 50 HH21 ARG 9 2HH2 ARG 9 -38.548 -16.483 -3.059 51 HH22 ARG 9 1HH2 ARG 9 -37.051 -17.344 -2.942 52 H ALA 10 H ALA 10 -35.247 -12.394 -9.429 53 HA ALA 10 HA ALA 10 -34.570 -15.120 -8.659 54 HB1 ALA 10 1HB ALA 10 -34.599 -15.895 -10.743 55 HB2 ALA 10 2HB ALA 10 -34.864 -14.283 -11.409 56 HB3 ALA 10 3HB ALA 10 -33.225 -14.841 -11.075 57 HA PRO 11 HA PRO 11 -31.260 -12.419 -7.206 58 HB2 PRO 11 1HB PRO 11 -30.287 -14.214 -5.417 59 HB3 PRO 11 2HB PRO 11 -31.699 -13.202 -5.091 60 HG2 PRO 11 1HG PRO 11 -31.579 -16.058 -5.982 61 HG3 PRO 11 2HG PRO 11 -32.625 -15.310 -4.760 62 HD2 PRO 11 1HD PRO 11 -33.481 -15.864 -7.269 63 HD3 PRO 11 2HD PRO 11 -34.085 -14.478 -6.338 64 H VAL 12 H VAL 12 -28.864 -12.805 -6.926 65 HA VAL 12 HA VAL 12 -27.875 -14.853 -8.797 66 HB VAL 12 HB VAL 12 -26.927 -11.988 -8.641 67 HG11 VAL 12 1HG1 VAL 12 -25.044 -12.594 -9.655 68 HG12 VAL 12 2HG1 VAL 12 -25.484 -14.274 -9.340 69 HG13 VAL 12 3HG1 VAL 12 -25.930 -13.517 -10.870 70 HG21 VAL 12 1HG2 VAL 12 -28.055 -13.319 -11.072 71 HG22 VAL 12 2HG2 VAL 12 -29.128 -12.615 -9.862 72 HG23 VAL 12 3HG2 VAL 12 -27.944 -11.601 -10.688 73 H THR 13 H THR 13 -26.477 -16.161 -7.843 74 HA THR 13 HA THR 13 -24.852 -15.111 -5.617 75 HB THR 13 HB THR 13 -24.842 -17.362 -4.646 76 HG1 THR 13 1HG THR 13 -25.417 -18.250 -6.917 77 HG21 THR 13 1HG2 THR 13 -26.851 -17.132 -3.585 78 HG22 THR 13 2HG2 THR 13 -27.739 -16.878 -5.087 79 HG23 THR 13 3HG2 THR 13 -26.790 -15.565 -4.390 80 H LYS 14 H LYS 14 -22.836 -16.462 -5.245 81 HA LYS 14 HA LYS 14 -21.724 -17.521 -7.742 82 HB2 LYS 14 1HB LYS 14 -21.102 -15.080 -7.399 83 HB3 LYS 14 2HB LYS 14 -20.185 -15.604 -5.993 84 HG2 LYS 14 1HG LYS 14 -18.648 -15.419 -7.772 85 HG3 LYS 14 2HG LYS 14 -18.921 -17.145 -7.528 86 HD2 LYS 14 1HD LYS 14 -19.053 -16.955 -9.829 87 HD3 LYS 14 2HD LYS 14 -20.750 -16.845 -9.354 88 HE2 LYS 14 1HE LYS 14 -20.749 -14.480 -9.604 89 HE3 LYS 14 2HE LYS 14 -18.994 -14.435 -9.771 90 HZ1 LYS 14 1HZ LYS 14 -19.623 -14.297 -11.940 91 HZ2 LYS 14 2HZ LYS 14 -21.028 -15.214 -11.728 92 HZ3 LYS 14 3HZ LYS 14 -19.521 -15.980 -11.800 93 H VAL 15 H VAL 15 -19.825 -18.852 -7.438 94 HA VAL 15 HA VAL 15 -19.477 -19.838 -4.687 95 HB VAL 15 HB VAL 15 -19.747 -21.564 -7.152 96 HG11 VAL 15 1HG1 VAL 15 -18.748 -22.094 -4.413 97 HG12 VAL 15 2HG1 VAL 15 -19.774 -23.323 -5.155 98 HG13 VAL 15 3HG1 VAL 15 -18.282 -22.820 -5.951 99 HG21 VAL 15 1HG2 VAL 15 -21.612 -20.722 -5.042 100 HG22 VAL 15 2HG2 VAL 15 -21.932 -21.293 -6.680 101 HG23 VAL 15 3HG2 VAL 15 -21.605 -22.451 -5.390 102 H HIS 16 H HIS 16 -17.430 -19.634 -4.096 103 HA HIS 16 HA HIS 16 -15.294 -20.446 -5.871 104 HB2 HIS 16 1HB HIS 16 -15.444 -18.165 -6.569 105 HB3 HIS 16 2HB HIS 16 -15.577 -17.599 -4.906 106 HD1 HIS 16 1HD HIS 16 -13.014 -19.456 -7.027 107 HD2 HIS 16 2HD HIS 16 -13.228 -16.696 -3.929 108 HE1 HIS 16 1HE HIS 16 -10.635 -18.796 -6.549 109 HE2 HIS 16 2HE HIS 16 -10.783 -17.190 -4.614 110 H GLY 17 H GLY 17 -14.354 -21.883 -4.556 111 HA2 GLY 17 1HA GLY 17 -13.637 -20.969 -1.839 112 HA3 GLY 17 2HA GLY 17 -14.199 -22.604 -2.154 113 H GLY 18 H GLY 18 -11.839 -22.295 -0.868 114 HA2 GLY 18 1HA GLY 18 -9.982 -23.410 -2.826 115 HA3 GLY 18 2HA GLY 18 -9.452 -21.970 -1.970 116 H ALA 19 H ALA 19 -11.366 -24.659 -0.700 117 HA ALA 19 HA ALA 19 -11.002 -26.115 1.010 118 HB1 ALA 19 1HB ALA 19 -9.092 -27.338 0.918 119 HB2 ALA 19 2HB ALA 19 -8.928 -26.485 -0.618 120 HB3 ALA 19 3HB ALA 19 -8.054 -25.916 0.804 121 H GLY 20 H GLY 20 -11.362 -23.440 1.717 122 HA2 GLY 20 1HA GLY 20 -10.239 -23.461 4.360 123 HA3 GLY 20 2HA GLY 20 -9.558 -22.195 3.349 124 H SER 21 H SER 21 -10.417 -20.509 4.541 125 HA SER 21 HA SER 21 -13.013 -20.264 5.481 126 HB2 SER 21 1HB SER 21 -11.162 -18.084 4.487 127 HB3 SER 21 2HB SER 21 -12.611 -17.814 5.456 128 HG SER 21 HG SER 21 -10.133 -18.578 6.240 129 H ALA 22 H ALA 22 -14.849 -19.132 4.694 130 HA ALA 22 HA ALA 22 -14.945 -18.762 1.778 131 HB1 ALA 22 1HB ALA 22 -17.383 -19.838 3.055 132 HB2 ALA 22 2HB ALA 22 -16.698 -20.157 1.461 133 HB3 ALA 22 3HB ALA 22 -16.024 -20.950 2.885 134 H GLN 23 H GLN 23 -15.297 -16.654 1.512 135 HA GLN 23 HA GLN 23 -17.414 -15.390 3.121 136 HB2 GLN 23 1HB GLN 23 -14.694 -14.350 2.391 137 HB3 GLN 23 2HB GLN 23 -16.018 -13.239 2.716 138 HG2 GLN 23 1HG GLN 23 -16.304 -14.346 4.931 139 HG3 GLN 23 2HG GLN 23 -14.839 -15.267 4.596 140 HE21 GLN 23 1HE2 GLN 23 -13.406 -14.463 5.986 141 HE22 GLN 23 2HE2 GLN 23 -12.976 -12.795 6.123 142 H ARG 24 H ARG 24 -18.883 -14.166 2.045 143 HA ARG 24 HA ARG 24 -18.857 -14.346 -0.851 144 HB2 ARG 24 1HB ARG 24 -20.892 -14.810 0.602 145 HB3 ARG 24 2HB ARG 24 -20.978 -13.074 0.874 146 HG2 ARG 24 1HG ARG 24 -21.157 -12.757 -1.583 147 HG3 ARG 24 2HG ARG 24 -21.235 -14.511 -1.756 148 HD2 ARG 24 1HD ARG 24 -23.145 -12.887 -0.084 149 HD3 ARG 24 2HD ARG 24 -23.457 -13.369 -1.751 150 HE ARG 24 HE ARG 24 -23.016 -15.733 -0.698 151 HH11 ARG 24 2HH1 ARG 24 -24.794 -13.060 0.649 152 HH12 ARG 24 1HH1 ARG 24 -25.866 -14.066 1.566 153 HH21 ARG 24 2HH2 ARG 24 -24.421 -17.068 0.504 154 HH22 ARG 24 1HH2 ARG 24 -25.652 -16.345 1.483 155 H MET 25 H MET 25 -17.470 -12.296 1.230 156 HA MET 25 HA MET 25 -17.391 -10.157 -0.719 157 HB2 MET 25 1HB MET 25 -19.129 -9.132 0.365 158 HB3 MET 25 2HB MET 25 -18.775 -9.914 1.900 159 HG2 MET 25 1HG MET 25 -16.617 -8.351 1.707 160 HG3 MET 25 2HG MET 25 -17.758 -7.384 0.777 161 HE1 MET 25 1HE MET 25 -16.996 -7.558 5.006 162 HE2 MET 25 2HE MET 25 -17.856 -9.082 4.787 163 HE3 MET 25 3HE MET 25 -16.449 -8.711 3.788 164 HA PRO 26 HA PRO 26 -13.216 -10.231 0.742 165 HB2 PRO 26 1HB PRO 26 -12.345 -8.032 -0.590 166 HB3 PRO 26 2HB PRO 26 -12.633 -9.584 -1.384 167 HG2 PRO 26 1HG PRO 26 -14.387 -7.160 -1.269 168 HG3 PRO 26 2HG PRO 26 -14.028 -8.217 -2.647 169 HD2 PRO 26 1HD PRO 26 -16.321 -8.412 -1.221 170 HD3 PRO 26 2HD PRO 26 -15.544 -9.818 -1.976 171 H LEU 27 H LEU 27 -12.066 -9.315 2.377 172 HA LEU 27 HA LEU 27 -13.302 -7.029 3.732 173 HB2 LEU 27 1HB LEU 27 -12.561 -9.405 4.740 174 HB3 LEU 27 2HB LEU 27 -11.071 -8.500 4.995 175 HG LEU 27 HG LEU 27 -12.332 -8.393 7.007 176 HD11 LEU 27 1HD1 LEU 27 -13.129 -5.739 6.091 177 HD12 LEU 27 2HD1 LEU 27 -11.474 -6.171 5.663 178 HD13 LEU 27 3HD1 LEU 27 -11.987 -6.213 7.349 179 HD21 LEU 27 1HD2 LEU 27 -14.575 -8.144 7.181 180 HD22 LEU 27 2HD2 LEU 27 -14.534 -8.777 5.535 181 HD23 LEU 27 3HD2 LEU 27 -14.672 -7.040 5.809 182 H CYS 28 H CYS 28 -12.463 -5.102 3.323 183 HA CYS 28 HA CYS 28 -10.127 -4.557 1.955 184 HB2 CYS 28 1HB CYS 28 -11.999 -2.948 2.436 185 HB3 CYS 28 2HB CYS 28 -11.346 -2.764 4.061 186 H ASP 29 H ASP 29 -8.102 -5.026 2.462 187 HA ASP 29 HA ASP 29 -7.265 -5.638 5.115 188 HB2 ASP 29 1HB ASP 29 -5.993 -5.522 2.434 189 HB3 ASP 29 2HB ASP 29 -4.923 -5.375 3.825 190 H LYS 30 H LYS 30 -7.966 -2.743 3.788 191 HA LYS 30 HA LYS 30 -5.778 -1.281 5.070 192 HB2 LYS 30 1HB LYS 30 -6.427 -0.655 2.766 193 HB3 LYS 30 2HB LYS 30 -8.039 -0.255 3.344 194 HG2 LYS 30 1HG LYS 30 -7.201 1.822 3.449 195 HG3 LYS 30 2HG LYS 30 -6.552 1.268 4.994 196 HD2 LYS 30 1HD LYS 30 -4.485 0.555 3.730 197 HD3 LYS 30 2HD LYS 30 -5.138 1.423 2.339 198 HE2 LYS 30 1HE LYS 30 -4.627 2.655 5.044 199 HE3 LYS 30 2HE LYS 30 -3.516 2.746 3.679 200 HZ1 LYS 30 1HZ LYS 30 -5.648 3.666 2.492 201 HZ2 LYS 30 2HZ LYS 30 -4.654 4.682 3.410 202 HZ3 LYS 30 3HZ LYS 30 -6.091 4.082 4.071 203 H CYS 31 H CYS 31 -9.342 -1.154 4.949 204 HA CYS 31 HA CYS 31 -9.300 -0.005 7.661 205 HB2 CYS 31 1HB CYS 31 -11.472 0.974 7.164 206 HB3 CYS 31 2HB CYS 31 -10.306 1.447 5.933 207 H GLY 32 H GLY 32 -9.379 -2.898 6.531 208 HA2 GLY 32 1HA GLY 32 -10.580 -4.854 6.898 209 HA3 GLY 32 2HA GLY 32 -10.479 -4.268 8.551 210 H SER 33 H SER 33 -12.350 -2.991 5.822 211 HA SER 33 HA SER 33 -14.803 -3.588 7.343 212 HB2 SER 33 1HB SER 33 -14.249 -1.127 5.667 213 HB3 SER 33 2HB SER 33 -15.763 -1.486 6.498 214 HG SER 33 HG SER 33 -13.636 -1.638 8.174 215 H GLY 34 H GLY 34 -16.251 -4.783 6.295 216 HA2 GLY 34 1HA GLY 34 -15.997 -6.150 4.026 217 HA3 GLY 34 2HA GLY 34 -17.562 -5.512 4.509 218 H ILE 35 H ILE 35 -16.387 -5.966 1.829 219 HA ILE 35 HA ILE 35 -16.582 -3.204 0.817 220 HB ILE 35 HB ILE 35 -15.106 -5.484 -0.500 221 HG12 ILE 35 1HG1 ILE 35 -13.771 -3.072 0.674 222 HG13 ILE 35 2HG1 ILE 35 -14.193 -4.424 1.720 223 HG21 ILE 35 1HG2 ILE 35 -14.254 -3.784 -2.007 224 HG22 ILE 35 2HG2 ILE 35 -16.016 -3.801 -2.039 225 HG23 ILE 35 3HG2 ILE 35 -15.163 -2.540 -1.148 226 HD11 ILE 35 1HD1 ILE 35 -12.563 -4.759 -0.776 227 HD12 ILE 35 2HD1 ILE 35 -11.850 -4.402 0.797 228 HD13 ILE 35 3HD1 ILE 35 -12.766 -5.891 0.560 229 H VAL 36 H VAL 36 -18.484 -2.879 -0.116 230 HA VAL 36 HA VAL 36 -19.545 -4.949 -1.911 231 HB VAL 36 HB VAL 36 -21.185 -3.413 0.110 232 HG11 VAL 36 1HG1 VAL 36 -23.115 -4.341 -0.800 233 HG12 VAL 36 2HG1 VAL 36 -22.174 -3.889 -2.223 234 HG13 VAL 36 3HG1 VAL 36 -22.221 -5.571 -1.692 235 HG21 VAL 36 1HG2 VAL 36 -21.727 -5.884 0.754 236 HG22 VAL 36 2HG2 VAL 36 -20.186 -6.225 -0.033 237 HG23 VAL 36 3HG2 VAL 36 -20.249 -5.124 1.343 238 H GLY 37 H GLY 37 -19.496 -4.051 -3.867 239 HA2 GLY 37 1HA GLY 37 -20.876 -2.453 -5.228 240 HA3 GLY 37 2HA GLY 37 -20.307 -1.220 -4.113 241 H ALA 38 H ALA 38 -17.769 -1.295 -3.909 242 HA ALA 38 HA ALA 38 -16.550 -1.747 -6.534 243 HB1 ALA 38 1HB ALA 38 -15.379 0.564 -6.075 244 HB2 ALA 38 2HB ALA 38 -16.947 0.481 -6.878 245 HB3 ALA 38 3HB ALA 38 -16.855 0.876 -5.162 246 H VAL 39 H VAL 39 -14.617 -2.683 -6.370 247 HA VAL 39 HA VAL 39 -13.030 -2.285 -3.934 248 HB VAL 39 HB VAL 39 -14.400 -4.466 -3.901 249 HG11 VAL 39 1HG1 VAL 39 -13.539 -4.857 -6.377 250 HG12 VAL 39 2HG1 VAL 39 -12.216 -5.656 -5.524 251 HG13 VAL 39 3HG1 VAL 39 -13.877 -6.200 -5.285 252 HG21 VAL 39 1HG2 VAL 39 -12.765 -5.512 -2.614 253 HG22 VAL 39 2HG2 VAL 39 -11.449 -4.915 -3.624 254 HG23 VAL 39 3HG2 VAL 39 -12.305 -3.811 -2.548 255 H VAL 40 H VAL 40 -10.769 -3.045 -4.194 256 HA VAL 40 HA VAL 40 -9.867 -3.068 -6.989 257 HB VAL 40 HB VAL 40 -8.694 -1.332 -4.812 258 HG11 VAL 40 1HG1 VAL 40 -7.064 -0.614 -6.401 259 HG12 VAL 40 2HG1 VAL 40 -7.028 -2.378 -6.361 260 HG13 VAL 40 3HG1 VAL 40 -7.830 -1.540 -7.691 261 HG21 VAL 40 1HG2 VAL 40 -10.398 -0.777 -7.206 262 HG22 VAL 40 2HG2 VAL 40 -10.550 -0.164 -5.559 263 HG23 VAL 40 3HG2 VAL 40 -9.275 0.446 -6.613 264 H LYS 41 H LYS 41 -9.118 -5.113 -7.077 265 HA LYS 41 HA LYS 41 -7.270 -6.003 -4.968 266 HB2 LYS 41 1HB LYS 41 -8.791 -7.702 -5.017 267 HB3 LYS 41 2HB LYS 41 -9.240 -7.397 -6.690 268 HG2 LYS 41 1HG LYS 41 -6.875 -8.331 -7.220 269 HG3 LYS 41 2HG LYS 41 -6.990 -9.027 -5.602 270 HD2 LYS 41 1HD LYS 41 -9.315 -9.865 -6.421 271 HD3 LYS 41 2HD LYS 41 -8.646 -9.586 -8.031 272 HE2 LYS 41 1HE LYS 41 -6.626 -10.961 -7.118 273 HE3 LYS 41 2HE LYS 41 -7.796 -11.535 -5.929 274 HZ1 LYS 41 1HZ LYS 41 -7.686 -12.018 -8.813 275 HZ2 LYS 41 2HZ LYS 41 -9.212 -11.931 -8.088 276 HZ3 LYS 41 3HZ LYS 41 -8.087 -13.077 -7.555 277 H ALA 42 H ALA 42 -5.182 -5.964 -5.440 278 HA ALA 42 HA ALA 42 -4.273 -5.555 -8.142 279 HB1 ALA 42 1HB ALA 42 -1.985 -5.678 -6.985 280 HB2 ALA 42 2HB ALA 42 -3.054 -4.339 -6.569 281 HB3 ALA 42 3HB ALA 42 -2.904 -5.717 -5.480 282 H ARG 43 H ARG 43 -2.855 -7.797 -5.793 283 HA ARG 43 HA ARG 43 -2.570 -9.766 -7.942 284 HB2 ARG 43 1HB ARG 43 -1.187 -9.353 -5.306 285 HB3 ARG 43 2HB ARG 43 -1.076 -10.891 -6.151 286 HG2 ARG 43 1HG ARG 43 0.110 -9.977 -7.925 287 HG3 ARG 43 2HG ARG 43 -0.402 -8.332 -7.543 288 HD2 ARG 43 1HD ARG 43 0.926 -8.495 -5.432 289 HD3 ARG 43 2HD ARG 43 1.541 -10.045 -6.003 290 HE ARG 43 HE ARG 43 1.919 -7.799 -7.796 291 HH11 ARG 43 2HH1 ARG 43 3.259 -9.803 -5.284 292 HH12 ARG 43 1HH1 ARG 43 4.901 -9.397 -5.656 293 HH21 ARG 43 2HH2 ARG 43 4.078 -7.256 -8.294 294 HH22 ARG 43 1HH2 ARG 43 5.366 -7.947 -7.367 295 H ASP 44 H ASP 44 -2.805 -10.335 -4.459 296 HA ASP 44 HA ASP 44 -5.078 -12.136 -4.988 297 HB2 ASP 44 1HB ASP 44 -3.019 -12.450 -2.796 298 HB3 ASP 44 2HB ASP 44 -4.281 -13.595 -3.242 299 H LYS 45 H LYS 45 -3.868 -9.494 -3.170 300 HA LYS 45 HA LYS 45 -5.915 -9.686 -1.115 301 HB2 LYS 45 1HB LYS 45 -3.531 -7.962 -1.597 302 HB3 LYS 45 2HB LYS 45 -4.829 -7.311 -0.606 303 HG2 LYS 45 1HG LYS 45 -4.600 -9.619 0.631 304 HG3 LYS 45 2HG LYS 45 -2.979 -9.573 -0.067 305 HD2 LYS 45 1HD LYS 45 -4.170 -7.318 1.540 306 HD3 LYS 45 2HD LYS 45 -3.177 -8.599 2.240 307 HE2 LYS 45 1HE LYS 45 -2.187 -7.010 -0.096 308 HE3 LYS 45 2HE LYS 45 -2.067 -6.361 1.539 309 HZ1 LYS 45 1HZ LYS 45 -0.047 -7.497 0.976 310 HZ2 LYS 45 2HZ LYS 45 -0.888 -8.904 0.557 311 HZ3 LYS 45 3HZ LYS 45 -0.851 -8.389 2.168 312 H TYR 46 H TYR 46 -7.204 -7.669 -0.634 313 HA TYR 46 HA TYR 46 -8.027 -6.310 -3.111 314 HB2 TYR 46 1HB TYR 46 -9.877 -7.426 -0.993 315 HB3 TYR 46 2HB TYR 46 -10.377 -6.481 -2.391 316 HD1 TYR 46 1HD TYR 46 -8.234 -9.488 -1.763 317 HD2 TYR 46 2HD TYR 46 -11.319 -7.708 -4.091 318 HE1 TYR 46 1HE TYR 46 -8.421 -11.554 -3.084 319 HE2 TYR 46 2HE TYR 46 -11.516 -9.770 -5.417 320 HH TYR 46 HH TYR 46 -10.520 -11.746 -5.906 321 H ARG 47 H ARG 47 -8.765 -4.197 -2.890 322 HA ARG 47 HA ARG 47 -8.817 -2.997 -0.237 323 HB2 ARG 47 1HB ARG 47 -6.954 -2.035 -2.417 324 HB3 ARG 47 2HB ARG 47 -7.254 -1.202 -0.898 325 HG2 ARG 47 1HG ARG 47 -6.323 -4.019 -0.785 326 HG3 ARG 47 2HG ARG 47 -5.163 -2.768 -1.235 327 HD2 ARG 47 1HD ARG 47 -5.794 -1.524 0.821 328 HD3 ARG 47 2HD ARG 47 -6.821 -2.882 1.281 329 HE ARG 47 HE ARG 47 -4.912 -4.155 1.724 330 HH11 ARG 47 2HH1 ARG 47 -4.106 -0.987 0.525 331 HH12 ARG 47 1HH1 ARG 47 -2.448 -1.080 1.018 332 HH21 ARG 47 2HH2 ARG 47 -2.731 -4.289 2.377 333 HH22 ARG 47 1HH2 ARG 47 -1.667 -2.958 2.070 334 H HIS 48 H HIS 48 -10.063 -1.156 -0.106 335 HA HIS 48 HA HIS 48 -12.133 -0.817 -1.930 336 HB2 HIS 48 1HB HIS 48 -11.068 0.775 0.352 337 HB3 HIS 48 2HB HIS 48 -12.204 1.565 -0.736 338 HD2 HIS 48 2HD HIS 48 -14.441 -0.682 -1.136 339 HE1 HIS 48 1HE HIS 48 -14.479 -0.990 3.095 340 HE2 HIS 48 2HE HIS 48 -15.677 -1.567 0.956 341 HA PRO 49 HA PRO 49 -10.682 1.765 -5.164 342 HB2 PRO 49 1HB PRO 49 -12.728 3.515 -5.512 343 HB3 PRO 49 2HB PRO 49 -12.831 1.813 -5.977 344 HG2 PRO 49 1HG PRO 49 -13.870 3.171 -3.520 345 HG3 PRO 49 2HG PRO 49 -14.654 1.951 -4.541 346 HD2 PRO 49 1HD PRO 49 -13.466 1.335 -2.187 347 HD3 PRO 49 2HD PRO 49 -13.507 0.210 -3.559 348 H GLU 50 H GLU 50 -11.300 3.094 -2.083 349 HA GLU 50 HA GLU 50 -9.885 5.570 -2.825 350 HB2 GLU 50 1HB GLU 50 -11.058 6.747 -1.122 351 HB3 GLU 50 2HB GLU 50 -12.261 5.846 -2.034 352 HG2 GLU 50 1HG GLU 50 -11.969 4.051 -0.205 353 HG3 GLU 50 2HG GLU 50 -11.230 5.352 0.727 354 H CYS 51 H CYS 51 -9.934 2.766 -0.844 355 HA CYS 51 HA CYS 51 -8.105 3.727 1.149 356 HB2 CYS 51 1HB CYS 51 -9.137 0.985 0.431 357 HB3 CYS 51 2HB CYS 51 -7.937 1.236 1.695 358 H PHE 52 H PHE 52 -7.864 1.893 -1.846 359 HA PHE 52 HA PHE 52 -5.274 0.952 -1.682 360 HB2 PHE 52 1HB PHE 52 -7.135 0.796 -3.574 361 HB3 PHE 52 2HB PHE 52 -6.179 2.092 -4.285 362 HD1 PHE 52 2HD PHE 52 -5.255 -1.010 -2.431 363 HD2 PHE 52 1HD PHE 52 -4.928 1.259 -6.017 364 HE1 PHE 52 2HE PHE 52 -3.683 -2.672 -3.335 365 HE2 PHE 52 1HE PHE 52 -3.357 -0.401 -6.928 366 HZ PHE 52 HZ PHE 52 -2.731 -2.369 -5.586 367 H VAL 53 H VAL 53 -3.677 2.197 -0.879 368 HA VAL 53 HA VAL 53 -2.711 4.376 -2.514 369 HB VAL 53 HB VAL 53 -2.598 6.019 -0.716 370 HG11 VAL 53 1HG1 VAL 53 -4.491 6.198 -2.159 371 HG12 VAL 53 2HG1 VAL 53 -5.355 4.939 -1.275 372 HG13 VAL 53 3HG1 VAL 53 -5.044 6.499 -0.512 373 HG21 VAL 53 1HG2 VAL 53 -2.483 4.774 1.262 374 HG22 VAL 53 2HG2 VAL 53 -4.064 5.551 1.334 375 HG23 VAL 53 3HG2 VAL 53 -3.937 3.854 0.874 376 H CYS 54 H CYS 54 -0.685 5.368 -1.343 377 HA CYS 54 HA CYS 54 1.119 3.199 -0.919 378 HB2 CYS 54 1HB CYS 54 1.681 5.400 -2.030 379 HB3 CYS 54 2HB CYS 54 1.658 6.130 -0.428 380 H ALA 55 H ALA 55 2.697 3.280 0.970 381 HA ALA 55 HA ALA 55 1.138 3.545 3.449 382 HB1 ALA 55 1HB ALA 55 1.846 1.297 3.104 383 HB2 ALA 55 2HB ALA 55 3.502 1.806 2.772 384 HB3 ALA 55 3HB ALA 55 2.838 1.970 4.397 385 H ASP 56 H ASP 56 3.581 5.029 1.713 386 HA ASP 56 HA ASP 56 4.827 6.139 4.136 387 HB2 ASP 56 1HB ASP 56 6.186 5.021 2.198 388 HB3 ASP 56 2HB ASP 56 5.927 6.559 1.379 389 H CYS 57 H CYS 57 3.327 6.998 1.057 390 HA CYS 57 HA CYS 57 3.055 9.763 2.042 391 HB2 CYS 57 1HB CYS 57 2.893 10.428 -0.355 392 HB3 CYS 57 2HB CYS 57 4.451 9.728 0.072 393 H ASN 58 H ASN 58 1.432 6.922 1.203 394 HA ASN 58 HA ASN 58 -0.767 6.357 1.063 395 HB2 ASN 58 1HB ASN 58 -0.690 8.073 3.088 396 HB3 ASN 58 2HB ASN 58 -1.647 9.056 1.984 397 HD21 ASN 58 1HD2 ASN 58 -1.496 5.989 3.675 398 HD22 ASN 58 2HD2 ASN 58 -3.196 5.683 3.660 399 H LEU 59 H LEU 59 0.445 7.372 -1.251 400 HA LEU 59 HA LEU 59 -1.428 9.203 -2.496 401 HB2 LEU 59 1HB LEU 59 0.916 9.451 -3.006 402 HB3 LEU 59 2HB LEU 59 1.010 7.777 -3.548 403 HG LEU 59 HG LEU 59 -0.477 8.335 -5.437 404 HD11 LEU 59 1HD1 LEU 59 -1.098 10.575 -3.940 405 HD12 LEU 59 2HD1 LEU 59 -1.573 10.263 -5.609 406 HD13 LEU 59 3HD1 LEU 59 -0.122 11.205 -5.267 407 HD21 LEU 59 1HD2 LEU 59 2.185 9.543 -5.007 408 HD22 LEU 59 2HD2 LEU 59 1.272 10.120 -6.402 409 HD23 LEU 59 3HD2 LEU 59 1.639 8.402 -6.236 410 H ASN 60 H ASN 60 -2.703 8.714 -4.315 411 HA ASN 60 HA ASN 60 -4.032 6.243 -4.234 412 HB2 ASN 60 1HB ASN 60 -4.000 8.489 -6.239 413 HB3 ASN 60 2HB ASN 60 -4.962 7.037 -6.502 414 HD21 ASN 60 1HD2 ASN 60 -6.626 6.537 -4.994 415 HD22 ASN 60 2HD2 ASN 60 -7.367 7.790 -4.063 416 H LEU 61 H LEU 61 -3.329 4.330 -4.889 417 HA LEU 61 HA LEU 61 -1.254 4.189 -6.950 418 HB2 LEU 61 1HB LEU 61 -2.302 2.010 -5.152 419 HB3 LEU 61 2HB LEU 61 -0.889 1.919 -6.202 420 HG LEU 61 HG LEU 61 -1.130 3.758 -3.823 421 HD11 LEU 61 1HD1 LEU 61 0.805 1.908 -3.247 422 HD12 LEU 61 2HD1 LEU 61 -0.440 0.933 -4.026 423 HD13 LEU 61 3HD1 LEU 61 -0.840 1.907 -2.611 424 HD21 LEU 61 1HD2 LEU 61 0.409 4.603 -5.465 425 HD22 LEU 61 2HD2 LEU 61 1.175 3.021 -5.623 426 HD23 LEU 61 3HD2 LEU 61 1.328 3.929 -4.118 427 H LYS 62 H LYS 62 -4.579 3.415 -6.356 428 HA LYS 62 HA LYS 62 -5.290 1.429 -7.996 429 HB2 LYS 62 1HB LYS 62 -7.045 2.593 -6.957 430 HB3 LYS 62 2HB LYS 62 -6.551 4.134 -7.645 431 HG2 LYS 62 1HG LYS 62 -8.477 3.557 -8.821 432 HG3 LYS 62 2HG LYS 62 -7.156 3.123 -9.908 433 HD2 LYS 62 1HD LYS 62 -7.383 0.791 -8.696 434 HD3 LYS 62 2HD LYS 62 -9.019 1.373 -8.378 435 HE2 LYS 62 1HE LYS 62 -7.950 1.611 -11.143 436 HE3 LYS 62 2HE LYS 62 -8.417 0.012 -10.568 437 HZ1 LYS 62 1HZ LYS 62 -10.255 1.092 -11.675 438 HZ2 LYS 62 2HZ LYS 62 -10.157 2.418 -10.631 439 HZ3 LYS 62 3HZ LYS 62 -10.611 0.903 -10.032 440 H GLN 63 H GLN 63 -5.118 4.756 -9.279 441 HA GLN 63 HA GLN 63 -4.984 3.795 -11.982 442 HB2 GLN 63 1HB GLN 63 -4.642 6.250 -12.502 443 HB3 GLN 63 2HB GLN 63 -6.140 5.841 -11.676 444 HG2 GLN 63 1HG GLN 63 -5.392 6.723 -9.641 445 HG3 GLN 63 2HG GLN 63 -3.713 6.760 -10.178 446 HE21 GLN 63 1HE2 GLN 63 -6.877 8.053 -11.138 447 HE22 GLN 63 2HE2 GLN 63 -6.302 9.634 -11.530 448 H LYS 64 H LYS 64 -2.726 5.219 -9.671 449 HA LYS 64 HA LYS 64 -0.541 5.381 -11.490 450 HB2 LYS 64 1HB LYS 64 -0.562 5.324 -8.466 451 HB3 LYS 64 2HB LYS 64 0.826 5.746 -9.462 452 HG2 LYS 64 1HG LYS 64 -0.463 7.644 -10.382 453 HG3 LYS 64 2HG LYS 64 -1.777 7.247 -9.272 454 HD2 LYS 64 1HD LYS 64 -0.240 7.573 -7.374 455 HD3 LYS 64 2HD LYS 64 1.038 8.023 -8.506 456 HE2 LYS 64 1HE LYS 64 -1.544 9.481 -8.671 457 HE3 LYS 64 2HE LYS 64 -0.490 9.830 -7.302 458 HZ1 LYS 64 1HZ LYS 64 0.802 11.051 -8.600 459 HZ2 LYS 64 2HZ LYS 64 -0.297 10.841 -9.869 460 HZ3 LYS 64 3HZ LYS 64 1.010 9.780 -9.697 461 H GLY 65 H GLY 65 1.613 4.225 -10.665 462 HA2 GLY 65 1HA GLY 65 1.143 1.417 -11.122 463 HA3 GLY 65 2HA GLY 65 2.707 2.203 -10.964 464 H TYR 66 H TYR 66 0.416 0.226 -9.467 465 HA TYR 66 HA TYR 66 1.163 0.767 -6.747 466 HB2 TYR 66 1HB TYR 66 -0.369 -0.897 -6.140 467 HB3 TYR 66 2HB TYR 66 -1.062 -0.218 -7.609 468 HD1 TYR 66 2HD TYR 66 0.636 -3.130 -6.152 469 HD2 TYR 66 1HD TYR 66 -1.191 -1.515 -9.639 470 HE1 TYR 66 2HE TYR 66 0.580 -5.375 -7.156 471 HE2 TYR 66 1HE TYR 66 -1.253 -3.756 -10.652 472 HH TYR 66 HH TYR 66 0.522 -6.286 -9.629 473 H PHE 67 H PHE 67 2.260 -0.702 -5.341 474 HA PHE 67 HA PHE 67 3.949 -2.708 -6.646 475 HB2 PHE 67 1HB PHE 67 4.870 -0.287 -5.153 476 HB3 PHE 67 2HB PHE 67 5.802 -1.773 -5.011 477 HD1 PHE 67 1HD PHE 67 4.205 0.287 -7.684 478 HD2 PHE 67 2HD PHE 67 7.551 -2.043 -6.462 479 HE1 PHE 67 1HE PHE 67 5.333 0.798 -9.810 480 HE2 PHE 67 2HE PHE 67 8.685 -1.534 -8.585 481 HZ PHE 67 HZ PHE 67 7.577 -0.112 -10.263 482 H PHE 68 H PHE 68 5.058 -4.123 -5.044 483 HA PHE 68 HA PHE 68 3.590 -4.313 -2.505 484 HB2 PHE 68 1HB PHE 68 3.837 -6.351 -4.659 485 HB3 PHE 68 2HB PHE 68 3.930 -6.919 -2.995 486 HD1 PHE 68 1HD PHE 68 2.025 -6.429 -1.438 487 HD2 PHE 68 2HD PHE 68 1.783 -5.785 -5.638 488 HE1 PHE 68 1HE PHE 68 -0.431 -6.396 -1.288 489 HE2 PHE 68 2HE PHE 68 -0.673 -5.750 -5.495 490 HZ PHE 68 HZ PHE 68 -1.783 -6.055 -3.318 491 H VAL 69 H VAL 69 5.164 -3.802 -1.099 492 HA VAL 69 HA VAL 69 7.686 -5.321 -1.270 493 HB VAL 69 HB VAL 69 7.294 -2.532 -0.177 494 HG11 VAL 69 1HG1 VAL 69 9.451 -2.531 0.578 495 HG12 VAL 69 2HG1 VAL 69 9.044 -4.228 0.843 496 HG13 VAL 69 3HG1 VAL 69 9.974 -3.754 -0.579 497 HG21 VAL 69 1HG2 VAL 69 8.647 -1.795 -2.036 498 HG22 VAL 69 2HG2 VAL 69 8.846 -3.456 -2.594 499 HG23 VAL 69 3HG2 VAL 69 7.257 -2.693 -2.645 500 H GLU 70 H GLU 70 7.540 -6.899 0.199 501 HA GLU 70 HA GLU 70 7.371 -7.955 2.207 502 HB2 GLU 70 1HB GLU 70 7.463 -5.127 3.270 503 HB3 GLU 70 2HB GLU 70 7.568 -6.570 4.270 504 HG2 GLU 70 1HG GLU 70 9.582 -7.215 2.873 505 HG3 GLU 70 2HG GLU 70 9.534 -5.572 2.237 506 H GLY 71 H GLY 71 5.012 -7.450 0.745 507 HA2 GLY 71 1HA GLY 71 2.786 -7.999 1.172 508 HA3 GLY 71 2HA GLY 71 3.077 -7.743 2.886 509 H GLU 72 H GLU 72 4.213 -5.090 2.528 510 HA GLU 72 HA GLU 72 1.736 -3.622 2.472 511 HB2 GLU 72 1HB GLU 72 3.613 -3.191 4.097 512 HB3 GLU 72 2HB GLU 72 4.534 -2.524 2.757 513 HG2 GLU 72 1HG GLU 72 3.272 -0.636 2.640 514 HG3 GLU 72 2HG GLU 72 1.820 -1.436 3.241 515 H LEU 73 H LEU 73 1.289 -1.812 1.130 516 HA LEU 73 HA LEU 73 2.338 -2.137 -1.570 517 HB2 LEU 73 1HB LEU 73 -0.092 -0.955 -0.358 518 HB3 LEU 73 2HB LEU 73 0.481 -0.238 -1.863 519 HG LEU 73 HG LEU 73 0.111 -3.193 -1.737 520 HD11 LEU 73 1HD1 LEU 73 -2.185 -3.139 -2.002 521 HD12 LEU 73 2HD1 LEU 73 -2.202 -1.424 -2.413 522 HD13 LEU 73 3HD1 LEU 73 -1.920 -1.929 -0.747 523 HD21 LEU 73 1HD2 LEU 73 0.543 -2.959 -3.898 524 HD22 LEU 73 2HD2 LEU 73 0.649 -1.209 -3.706 525 HD23 LEU 73 3HD2 LEU 73 -0.903 -1.963 -4.074 526 H TYR 74 H TYR 74 2.771 -0.160 -2.866 527 HA TYR 74 HA TYR 74 3.479 2.260 -1.503 528 HB2 TYR 74 1HB TYR 74 5.660 0.414 -2.484 529 HB3 TYR 74 2HB TYR 74 5.914 2.124 -2.153 530 HD1 TYR 74 2HD TYR 74 5.641 2.974 0.182 531 HD2 TYR 74 1HD TYR 74 5.587 -1.182 -0.728 532 HE1 TYR 74 2HE TYR 74 6.063 2.456 2.549 533 HE2 TYR 74 1HE TYR 74 6.008 -1.712 1.637 534 HH TYR 74 HH TYR 74 6.979 0.631 3.899 535 H CYS 75 H CYS 75 4.285 3.910 -2.971 536 HA CYS 75 HA CYS 75 3.070 3.659 -5.575 537 HB2 CYS 75 1HB CYS 75 3.691 6.042 -5.829 538 HB3 CYS 75 2HB CYS 75 2.796 5.737 -4.344 539 H GLU 76 H GLU 76 4.226 4.363 -7.548 540 HA GLU 76 HA GLU 76 6.369 2.766 -8.169 541 HB2 GLU 76 1HB GLU 76 4.830 4.242 -9.677 542 HB3 GLU 76 2HB GLU 76 6.095 5.448 -9.482 543 HG2 GLU 76 1HG GLU 76 7.727 3.790 -10.350 544 HG3 GLU 76 2HG GLU 76 6.379 2.701 -10.674 545 H THR 77 H THR 77 6.403 6.040 -6.870 546 HA THR 77 HA THR 77 9.169 6.518 -7.153 547 HB THR 77 HB THR 77 7.246 7.667 -5.121 548 HG1 THR 77 1HG THR 77 7.450 9.477 -6.735 549 HG21 THR 77 1HG2 THR 77 9.383 9.422 -5.856 550 HG22 THR 77 2HG2 THR 77 10.056 7.894 -5.287 551 HG23 THR 77 3HG2 THR 77 8.953 8.809 -4.260 552 H HIS 78 H HIS 78 7.463 5.987 -4.069 553 HA HIS 78 HA HIS 78 9.729 5.348 -2.586 554 HB2 HIS 78 1HB HIS 78 6.809 4.735 -2.224 555 HB3 HIS 78 2HB HIS 78 8.004 4.126 -1.082 556 HD2 HIS 78 2HD HIS 78 9.811 6.715 -0.558 557 HE1 HIS 78 1HE HIS 78 6.161 8.750 0.172 558 HE2 HIS 78 2HE HIS 78 8.668 8.829 0.399 559 H ALA 79 H ALA 79 7.312 3.098 -3.938 560 HA ALA 79 HA ALA 79 8.376 0.696 -3.241 561 HB1 ALA 79 1HB ALA 79 7.284 1.280 -5.989 562 HB2 ALA 79 2HB ALA 79 7.291 -0.270 -5.146 563 HB3 ALA 79 3HB ALA 79 6.288 1.053 -4.551 564 H ARG 80 H ARG 80 9.217 2.453 -6.233 565 HA ARG 80 HA ARG 80 11.120 0.784 -7.260 566 HB2 ARG 80 1HB ARG 80 10.769 3.746 -7.303 567 HB3 ARG 80 2HB ARG 80 12.268 3.077 -7.934 568 HG2 ARG 80 1HG ARG 80 11.016 1.719 -9.516 569 HG3 ARG 80 2HG ARG 80 9.500 2.345 -8.865 570 HD2 ARG 80 1HD ARG 80 9.878 4.483 -9.719 571 HD3 ARG 80 2HD ARG 80 11.605 4.194 -9.926 572 HE ARG 80 HE ARG 80 10.003 2.474 -11.554 573 HH11 ARG 80 2HH1 ARG 80 11.377 5.665 -11.320 574 HH12 ARG 80 1HH1 ARG 80 11.406 5.920 -13.033 575 HH21 ARG 80 2HH2 ARG 80 10.035 2.798 -13.811 576 HH22 ARG 80 1HH2 ARG 80 10.641 4.289 -14.449 577 H ALA 81 H ALA 81 11.544 3.181 -4.694 578 HA ALA 81 HA ALA 81 14.340 2.888 -4.423 579 HB1 ALA 81 1HB ALA 81 13.425 4.828 -3.489 580 HB2 ALA 81 2HB ALA 81 12.199 3.928 -2.596 581 HB3 ALA 81 3HB ALA 81 13.889 3.847 -2.098 582 H ARG 82 H ARG 82 11.621 1.105 -3.138 583 HA ARG 82 HA ARG 82 13.184 -0.341 -1.203 584 HB2 ARG 82 1HB ARG 82 10.393 -0.839 -2.254 585 HB3 ARG 82 2HB ARG 82 11.127 -1.678 -0.895 586 HG2 ARG 82 1HG ARG 82 11.014 0.172 0.481 587 HG3 ARG 82 2HG ARG 82 10.919 1.300 -0.873 588 HD2 ARG 82 1HD ARG 82 8.668 0.087 -1.365 589 HD3 ARG 82 2HD ARG 82 8.785 -0.421 0.319 590 HE ARG 82 HE ARG 82 8.071 2.160 -0.636 591 HH11 ARG 82 2HH1 ARG 82 9.728 0.514 1.946 592 HH12 ARG 82 1HH1 ARG 82 9.450 1.773 3.102 593 HH21 ARG 82 2HH2 ARG 82 7.699 3.825 0.878 594 HH22 ARG 82 1HH2 ARG 82 8.295 3.656 2.494 595 H THR 83 H THR 83 11.316 -1.462 -4.030 596 HA THR 83 HA THR 83 12.665 -3.950 -4.175 597 HB THR 83 HB THR 83 10.447 -3.765 -5.100 598 HG1 THR 83 1HG THR 83 11.753 -4.055 -7.506 599 HG21 THR 83 1HG2 THR 83 11.664 -1.724 -6.960 600 HG22 THR 83 2HG2 THR 83 10.382 -1.466 -5.777 601 HG23 THR 83 3HG2 THR 83 10.079 -2.456 -7.204 602 H SER 84 H SER 84 13.024 -0.900 -5.935 603 HA SER 84 HA SER 84 14.620 -0.135 -7.371 604 HB2 SER 84 1HB SER 84 16.840 -0.350 -6.635 605 HB3 SER 84 2HB SER 84 15.895 -0.576 -5.163 606 HG SER 84 HG SER 84 17.563 -2.305 -6.427 607 H GLY 85 H GLY 85 13.104 -2.267 -8.380 608 HA2 GLY 85 1HA GLY 85 13.955 -2.943 -10.737 609 HA3 GLY 85 2HA GLY 85 15.054 -3.945 -9.801 610 HA PRO 86 HA PRO 86 10.599 -5.684 -9.024 611 HB2 PRO 86 1HB PRO 86 8.641 -4.727 -10.642 612 HB3 PRO 86 2HB PRO 86 9.038 -3.999 -9.081 613 HG2 PRO 86 1HG PRO 86 9.863 -3.152 -11.832 614 HG3 PRO 86 2HG PRO 86 9.315 -2.155 -10.471 615 HD2 PRO 86 1HD PRO 86 11.930 -2.423 -11.120 616 HD3 PRO 86 2HD PRO 86 11.379 -2.194 -9.448 617 H SER 87 H SER 87 12.409 -5.365 -11.752 618 HA SER 87 HA SER 87 10.889 -7.241 -13.388 619 HB2 SER 87 1HB SER 87 12.372 -6.722 -15.153 620 HB3 SER 87 2HB SER 87 12.133 -5.191 -14.310 621 HG SER 87 HG SER 87 14.222 -5.171 -14.151 622 H SER 88 H SER 88 11.138 -9.349 -13.136 623 HA SER 88 HA SER 88 13.200 -10.474 -11.533 624 HB2 SER 88 1HB SER 88 12.216 -12.641 -12.156 625 HB3 SER 88 2HB SER 88 10.966 -11.490 -11.683 626 HG SER 88 HG SER 88 11.657 -11.641 -14.384 627 H GLY 89 H GLY 89 15.156 -11.203 -12.079 628 HA2 GLY 89 1HA GLY 89 16.074 -10.877 -14.794 629 HA3 GLY 89 2HA GLY 89 17.040 -11.386 -13.418 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.619 16.318 -10.835 2 HA2 GLY 1 1HA GLY 1 0.211 15.503 -10.900 3 HA3 GLY 1 2HA GLY 1 -0.411 17.054 -11.444 4 H SER 2 H SER 2 -0.233 15.073 -8.488 5 HA SER 2 HA SER 2 -0.447 17.344 -6.765 6 HB2 SER 2 1HB SER 2 -1.121 14.963 -6.191 7 HB3 SER 2 2HB SER 2 0.597 14.612 -6.009 8 HG SER 2 HG SER 2 0.644 16.324 -4.434 9 H SER 3 H SER 3 1.102 18.780 -6.429 10 HA SER 3 HA SER 3 3.872 18.113 -7.008 11 HB2 SER 3 1HB SER 3 4.301 20.495 -6.804 12 HB3 SER 3 2HB SER 3 2.879 20.249 -7.817 13 HG SER 3 HG SER 3 1.691 20.541 -5.728 14 H GLY 4 H GLY 4 5.599 18.645 -5.509 15 HA2 GLY 4 1HA GLY 4 6.294 19.219 -3.261 16 HA3 GLY 4 2HA GLY 4 4.760 18.589 -2.682 17 H SER 5 H SER 5 7.956 17.967 -2.771 18 HA SER 5 HA SER 5 7.552 15.183 -2.096 19 HB2 SER 5 1HB SER 5 7.948 15.413 -4.660 20 HB3 SER 5 2HB SER 5 9.620 15.740 -4.205 21 HG SER 5 HG SER 5 8.157 13.452 -3.381 22 H SER 6 H SER 6 8.817 14.675 -0.435 23 HA SER 6 HA SER 6 11.371 16.087 -0.101 24 HB2 SER 6 1HB SER 6 10.957 16.572 2.192 25 HB3 SER 6 2HB SER 6 9.512 17.091 1.324 26 HG SER 6 HG SER 6 8.390 15.480 2.184 27 H GLY 7 H GLY 7 12.561 15.014 1.890 28 HA2 GLY 7 1HA GLY 7 12.473 12.112 1.381 29 HA3 GLY 7 2HA GLY 7 13.900 13.004 1.887 30 H VAL 8 H VAL 8 11.613 10.892 2.913 31 HA VAL 8 HA VAL 8 11.991 11.696 5.722 32 HB VAL 8 HB VAL 8 9.785 10.792 6.268 33 HG11 VAL 8 1HG1 VAL 8 9.346 12.719 4.018 34 HG12 VAL 8 2HG1 VAL 8 8.547 12.638 5.589 35 HG13 VAL 8 3HG1 VAL 8 10.211 13.211 5.473 36 HG21 VAL 8 1HG2 VAL 8 9.949 9.368 3.991 37 HG22 VAL 8 2HG2 VAL 8 8.432 9.691 4.831 38 HG23 VAL 8 3HG2 VAL 8 8.906 10.685 3.454 39 H ARG 9 H ARG 9 11.545 9.790 7.232 40 HA ARG 9 HA ARG 9 12.132 7.181 6.113 41 HB2 ARG 9 1HB ARG 9 14.089 8.741 7.764 42 HB3 ARG 9 2HB ARG 9 14.050 6.986 7.874 43 HG2 ARG 9 1HG ARG 9 14.552 6.768 5.540 44 HG3 ARG 9 2HG ARG 9 14.409 8.511 5.305 45 HD2 ARG 9 1HD ARG 9 16.270 8.635 7.118 46 HD3 ARG 9 2HD ARG 9 16.556 6.951 6.682 47 HE ARG 9 HE ARG 9 16.500 8.368 4.312 48 HH11 ARG 9 2HH1 ARG 9 18.396 8.346 7.232 49 HH12 ARG 9 1HH1 ARG 9 19.843 8.893 6.451 50 HH21 ARG 9 2HH2 ARG 9 18.399 9.088 3.273 51 HH22 ARG 9 1HH2 ARG 9 19.843 9.316 4.199 52 H ALA 10 H ALA 10 10.799 5.835 7.109 53 HA ALA 10 HA ALA 10 10.069 6.386 9.911 54 HB1 ALA 10 1HB ALA 10 8.403 6.129 7.742 55 HB2 ALA 10 2HB ALA 10 8.332 4.531 8.486 56 HB3 ALA 10 3HB ALA 10 7.929 5.963 9.433 57 HA PRO 11 HA PRO 11 11.989 2.618 11.126 58 HB2 PRO 11 1HB PRO 11 10.558 2.090 13.372 59 HB3 PRO 11 2HB PRO 11 11.770 3.373 13.285 60 HG2 PRO 11 1HG PRO 11 8.791 3.562 13.055 61 HG3 PRO 11 2HG PRO 11 9.914 4.612 13.940 62 HD2 PRO 11 1HD PRO 11 8.896 5.278 11.521 63 HD3 PRO 11 2HD PRO 11 10.518 5.775 12.044 64 H VAL 12 H VAL 12 11.697 0.393 11.089 65 HA VAL 12 HA VAL 12 8.995 -0.643 10.651 66 HB VAL 12 HB VAL 12 9.761 -2.007 8.735 67 HG11 VAL 12 1HG1 VAL 12 8.581 -0.251 7.906 68 HG12 VAL 12 2HG1 VAL 12 9.621 0.953 8.669 69 HG13 VAL 12 3HG1 VAL 12 10.151 0.132 7.201 70 HG21 VAL 12 1HG2 VAL 12 11.839 -1.536 7.618 71 HG22 VAL 12 2HG2 VAL 12 12.211 -0.249 8.764 72 HG23 VAL 12 3HG2 VAL 12 12.178 -1.927 9.304 73 H THR 13 H THR 13 8.723 -2.816 11.181 74 HA THR 13 HA THR 13 11.049 -4.223 12.286 75 HB THR 13 HB THR 13 9.736 -4.941 14.247 76 HG1 THR 13 1HG THR 13 7.641 -4.687 13.962 77 HG21 THR 13 1HG2 THR 13 9.891 -2.884 15.498 78 HG22 THR 13 2HG2 THR 13 9.833 -1.932 14.014 79 HG23 THR 13 3HG2 THR 13 11.229 -2.954 14.352 80 H LYS 14 H LYS 14 11.019 -6.421 12.053 81 HA LYS 14 HA LYS 14 9.304 -7.513 10.072 82 HB2 LYS 14 1HB LYS 14 11.468 -8.581 11.835 83 HB3 LYS 14 2HB LYS 14 10.421 -9.719 10.998 84 HG2 LYS 14 1HG LYS 14 11.191 -9.107 8.916 85 HG3 LYS 14 2HG LYS 14 11.725 -7.517 9.465 86 HD2 LYS 14 1HD LYS 14 13.013 -10.034 10.473 87 HD3 LYS 14 2HD LYS 14 13.515 -9.290 8.952 88 HE2 LYS 14 1HE LYS 14 13.410 -7.813 11.575 89 HE3 LYS 14 2HE LYS 14 14.854 -8.629 10.978 90 HZ1 LYS 14 1HZ LYS 14 14.866 -7.206 9.061 91 HZ2 LYS 14 2HZ LYS 14 14.811 -6.245 10.451 92 HZ3 LYS 14 3HZ LYS 14 13.413 -6.475 9.528 93 H VAL 15 H VAL 15 7.672 -9.043 10.241 94 HA VAL 15 HA VAL 15 6.799 -9.971 12.838 95 HB VAL 15 HB VAL 15 5.767 -7.717 12.663 96 HG11 VAL 15 1HG1 VAL 15 4.270 -8.905 10.329 97 HG12 VAL 15 2HG1 VAL 15 4.005 -7.312 11.042 98 HG13 VAL 15 3HG1 VAL 15 5.523 -7.670 10.217 99 HG21 VAL 15 1HG2 VAL 15 3.799 -10.000 12.535 100 HG22 VAL 15 2HG2 VAL 15 4.713 -9.516 13.963 101 HG23 VAL 15 3HG2 VAL 15 3.519 -8.420 13.267 102 H HIS 16 H HIS 16 5.701 -11.861 12.710 103 HA HIS 16 HA HIS 16 5.442 -13.060 10.079 104 HB2 HIS 16 1HB HIS 16 4.980 -14.232 12.830 105 HB3 HIS 16 2HB HIS 16 4.977 -15.140 11.321 106 HD1 HIS 16 1HD HIS 16 7.144 -16.158 10.694 107 HD2 HIS 16 2HD HIS 16 7.629 -12.969 13.313 108 HE1 HIS 16 1HE HIS 16 9.601 -16.093 11.227 109 HE2 HIS 16 2HE HIS 16 9.857 -14.209 12.879 110 H GLY 17 H GLY 17 3.649 -12.539 8.987 111 HA2 GLY 17 1HA GLY 17 1.071 -12.960 10.346 112 HA3 GLY 17 2HA GLY 17 1.343 -11.478 9.441 113 H GLY 18 H GLY 18 -0.719 -13.384 8.936 114 HA2 GLY 18 1HA GLY 18 -0.983 -13.505 6.293 115 HA3 GLY 18 2HA GLY 18 0.128 -14.841 6.558 116 H ALA 19 H ALA 19 -3.125 -13.690 6.940 117 HA ALA 19 HA ALA 19 -3.989 -16.443 7.450 118 HB1 ALA 19 1HB ALA 19 -4.445 -14.102 9.204 119 HB2 ALA 19 2HB ALA 19 -5.800 -15.207 8.966 120 HB3 ALA 19 3HB ALA 19 -4.273 -15.810 9.610 121 H GLY 20 H GLY 20 -6.390 -16.684 7.114 122 HA2 GLY 20 1HA GLY 20 -7.739 -14.683 5.552 123 HA3 GLY 20 2HA GLY 20 -7.164 -16.029 4.580 124 H SER 21 H SER 21 -9.846 -14.892 5.886 125 HA SER 21 HA SER 21 -10.873 -17.550 6.640 126 HB2 SER 21 1HB SER 21 -11.661 -14.791 7.569 127 HB3 SER 21 2HB SER 21 -12.712 -16.189 7.797 128 HG SER 21 HG SER 21 -10.277 -15.567 9.003 129 H ALA 22 H ALA 22 -12.917 -18.180 5.867 130 HA ALA 22 HA ALA 22 -13.497 -17.292 3.216 131 HB1 ALA 22 1HB ALA 22 -13.930 -19.609 4.620 132 HB2 ALA 22 2HB ALA 22 -15.552 -18.930 4.479 133 HB3 ALA 22 3HB ALA 22 -14.593 -19.230 3.030 134 H GLN 23 H GLN 23 -15.061 -15.958 2.485 135 HA GLN 23 HA GLN 23 -17.258 -15.147 4.182 136 HB2 GLN 23 1HB GLN 23 -15.201 -13.137 3.250 137 HB3 GLN 23 2HB GLN 23 -16.744 -12.734 3.991 138 HG2 GLN 23 1HG GLN 23 -16.089 -13.729 6.060 139 HG3 GLN 23 2HG GLN 23 -14.619 -14.380 5.337 140 HE21 GLN 23 1HE2 GLN 23 -16.072 -11.725 6.880 141 HE22 GLN 23 2HE2 GLN 23 -14.725 -10.646 6.814 142 H ARG 24 H ARG 24 -18.788 -13.722 3.029 143 HA ARG 24 HA ARG 24 -19.088 -14.608 0.308 144 HB2 ARG 24 1HB ARG 24 -20.751 -13.074 2.254 145 HB3 ARG 24 2HB ARG 24 -21.128 -12.936 0.542 146 HG2 ARG 24 1HG ARG 24 -22.498 -14.661 1.189 147 HG3 ARG 24 2HG ARG 24 -21.084 -15.534 0.595 148 HD2 ARG 24 1HD ARG 24 -20.260 -15.504 3.006 149 HD3 ARG 24 2HD ARG 24 -21.891 -14.996 3.440 150 HE ARG 24 HE ARG 24 -22.169 -17.256 1.873 151 HH11 ARG 24 2HH1 ARG 24 -20.688 -16.413 4.909 152 HH12 ARG 24 1HH1 ARG 24 -20.897 -17.989 5.597 153 HH21 ARG 24 2HH2 ARG 24 -22.449 -19.335 2.768 154 HH22 ARG 24 1HH2 ARG 24 -21.898 -19.650 4.379 155 H MET 25 H MET 25 -17.216 -12.291 1.571 156 HA MET 25 HA MET 25 -16.886 -10.931 -0.906 157 HB2 MET 25 1HB MET 25 -17.686 -8.789 -0.421 158 HB3 MET 25 2HB MET 25 -18.958 -9.848 0.174 159 HG2 MET 25 1HG MET 25 -16.795 -8.693 1.914 160 HG3 MET 25 2HG MET 25 -18.373 -7.945 1.675 161 HE1 MET 25 1HE MET 25 -17.498 -9.084 4.985 162 HE2 MET 25 2HE MET 25 -17.089 -10.775 4.698 163 HE3 MET 25 3HE MET 25 -16.302 -9.505 3.759 164 HA PRO 26 HA PRO 26 -12.892 -10.287 0.798 165 HB2 PRO 26 1HB PRO 26 -12.079 -8.104 -0.596 166 HB3 PRO 26 2HB PRO 26 -12.215 -9.711 -1.320 167 HG2 PRO 26 1HG PRO 26 -14.125 -7.409 -1.446 168 HG3 PRO 26 2HG PRO 26 -13.610 -8.507 -2.739 169 HD2 PRO 26 1HD PRO 26 -15.973 -8.784 -1.447 170 HD3 PRO 26 2HD PRO 26 -15.060 -10.171 -2.075 171 H LEU 27 H LEU 27 -11.933 -9.231 2.466 172 HA LEU 27 HA LEU 27 -13.364 -6.917 3.566 173 HB2 LEU 27 1HB LEU 27 -12.720 -9.212 4.790 174 HB3 LEU 27 2HB LEU 27 -11.264 -8.283 5.139 175 HG LEU 27 HG LEU 27 -12.862 -8.165 6.976 176 HD11 LEU 27 1HD1 LEU 27 -12.379 -6.016 7.424 177 HD12 LEU 27 2HD1 LEU 27 -13.087 -5.431 5.919 178 HD13 LEU 27 3HD1 LEU 27 -11.460 -6.111 5.921 179 HD21 LEU 27 1HD2 LEU 27 -14.824 -6.441 5.826 180 HD22 LEU 27 2HD2 LEU 27 -15.046 -7.993 6.635 181 HD23 LEU 27 3HD2 LEU 27 -14.754 -7.938 4.896 182 H CYS 28 H CYS 28 -12.499 -4.982 3.278 183 HA CYS 28 HA CYS 28 -10.086 -4.430 2.057 184 HB2 CYS 28 1HB CYS 28 -12.006 -2.834 2.447 185 HB3 CYS 28 2HB CYS 28 -11.408 -2.627 4.090 186 H ASP 29 H ASP 29 -8.078 -4.822 2.678 187 HA ASP 29 HA ASP 29 -7.414 -5.424 5.398 188 HB2 ASP 29 1HB ASP 29 -6.358 -6.371 3.228 189 HB3 ASP 29 2HB ASP 29 -5.390 -4.900 3.238 190 H LYS 30 H LYS 30 -8.043 -2.566 4.013 191 HA LYS 30 HA LYS 30 -5.881 -1.087 5.320 192 HB2 LYS 30 1HB LYS 30 -6.430 -0.471 3.008 193 HB3 LYS 30 2HB LYS 30 -8.087 -0.126 3.487 194 HG2 LYS 30 1HG LYS 30 -7.340 1.982 3.622 195 HG3 LYS 30 2HG LYS 30 -6.743 1.467 5.201 196 HD2 LYS 30 1HD LYS 30 -4.589 0.839 4.063 197 HD3 LYS 30 2HD LYS 30 -5.208 1.634 2.613 198 HE2 LYS 30 1HE LYS 30 -4.942 2.986 5.293 199 HE3 LYS 30 2HE LYS 30 -3.709 3.050 4.034 200 HZ1 LYS 30 1HZ LYS 30 -4.947 4.430 2.760 201 HZ2 LYS 30 2HZ LYS 30 -5.582 4.879 4.262 202 HZ3 LYS 30 3HZ LYS 30 -6.427 3.794 3.277 203 H CYS 31 H CYS 31 -9.442 -0.988 5.123 204 HA CYS 31 HA CYS 31 -9.462 0.215 7.812 205 HB2 CYS 31 1HB CYS 31 -11.597 1.218 7.252 206 HB3 CYS 31 2HB CYS 31 -10.417 1.636 6.014 207 H GLY 32 H GLY 32 -9.563 -2.692 6.667 208 HA2 GLY 32 1HA GLY 32 -10.753 -4.642 7.059 209 HA3 GLY 32 2HA GLY 32 -10.727 -4.019 8.702 210 H SER 33 H SER 33 -12.479 -2.872 5.833 211 HA SER 33 HA SER 33 -14.992 -3.367 7.292 212 HB2 SER 33 1HB SER 33 -14.103 -0.898 6.869 213 HB3 SER 33 2HB SER 33 -14.840 -1.159 5.289 214 HG SER 33 HG SER 33 -16.134 -0.296 7.226 215 H GLY 34 H GLY 34 -16.457 -4.575 6.270 216 HA2 GLY 34 1HA GLY 34 -16.063 -6.110 4.090 217 HA3 GLY 34 2HA GLY 34 -17.659 -5.518 4.528 218 H ILE 35 H ILE 35 -16.188 -6.009 1.904 219 HA ILE 35 HA ILE 35 -16.541 -3.325 0.745 220 HB ILE 35 HB ILE 35 -15.033 -5.658 -0.437 221 HG12 ILE 35 1HG1 ILE 35 -13.752 -3.146 0.583 222 HG13 ILE 35 2HG1 ILE 35 -14.134 -4.447 1.705 223 HG21 ILE 35 1HG2 ILE 35 -15.670 -4.366 -2.245 224 HG22 ILE 35 2HG2 ILE 35 -15.570 -2.859 -1.335 225 HG23 ILE 35 3HG2 ILE 35 -14.095 -3.685 -1.837 226 HD11 ILE 35 1HD1 ILE 35 -11.872 -4.696 1.035 227 HD12 ILE 35 2HD1 ILE 35 -12.799 -5.974 0.249 228 HD13 ILE 35 3HD1 ILE 35 -12.297 -4.555 -0.670 229 H VAL 36 H VAL 36 -18.417 -3.050 -0.250 230 HA VAL 36 HA VAL 36 -19.427 -5.164 -2.002 231 HB VAL 36 HB VAL 36 -21.131 -3.793 0.083 232 HG11 VAL 36 1HG1 VAL 36 -21.778 -5.402 -2.329 233 HG12 VAL 36 2HG1 VAL 36 -22.759 -5.641 -0.882 234 HG13 VAL 36 3HG1 VAL 36 -22.638 -4.040 -1.613 235 HG21 VAL 36 1HG2 VAL 36 -20.667 -6.744 -0.171 236 HG22 VAL 36 2HG2 VAL 36 -19.567 -5.723 0.756 237 HG23 VAL 36 3HG2 VAL 36 -21.267 -5.830 1.213 238 H GLY 37 H GLY 37 -19.548 -4.238 -3.937 239 HA2 GLY 37 1HA GLY 37 -21.024 -2.684 -5.223 240 HA3 GLY 37 2HA GLY 37 -20.513 -1.448 -4.083 241 H ALA 38 H ALA 38 -17.832 -1.805 -3.913 242 HA ALA 38 HA ALA 38 -16.658 -2.018 -6.538 243 HB1 ALA 38 1HB ALA 38 -17.717 0.400 -6.051 244 HB2 ALA 38 2HB ALA 38 -16.116 0.626 -5.345 245 HB3 ALA 38 3HB ALA 38 -16.275 0.152 -7.036 246 H VAL 39 H VAL 39 -14.679 -2.829 -6.318 247 HA VAL 39 HA VAL 39 -13.110 -2.166 -3.928 248 HB VAL 39 HB VAL 39 -14.295 -4.402 -3.673 249 HG11 VAL 39 1HG1 VAL 39 -12.205 -5.629 -5.375 250 HG12 VAL 39 2HG1 VAL 39 -13.845 -6.175 -5.019 251 HG13 VAL 39 3HG1 VAL 39 -13.578 -4.889 -6.196 252 HG21 VAL 39 1HG2 VAL 39 -12.211 -3.633 -2.462 253 HG22 VAL 39 2HG2 VAL 39 -12.458 -5.378 -2.546 254 HG23 VAL 39 3HG2 VAL 39 -11.293 -4.600 -3.617 255 H VAL 40 H VAL 40 -10.801 -2.850 -4.165 256 HA VAL 40 HA VAL 40 -9.929 -2.885 -6.974 257 HB VAL 40 HB VAL 40 -8.735 -1.147 -4.809 258 HG11 VAL 40 1HG1 VAL 40 -7.998 -1.311 -7.727 259 HG12 VAL 40 2HG1 VAL 40 -7.213 -0.342 -6.478 260 HG13 VAL 40 3HG1 VAL 40 -7.103 -2.102 -6.430 261 HG21 VAL 40 1HG2 VAL 40 -10.413 -0.499 -7.224 262 HG22 VAL 40 2HG2 VAL 40 -10.773 -0.155 -5.532 263 HG23 VAL 40 3HG2 VAL 40 -9.467 0.705 -6.348 264 H LYS 41 H LYS 41 -9.130 -4.909 -7.081 265 HA LYS 41 HA LYS 41 -7.282 -5.796 -4.974 266 HB2 LYS 41 1HB LYS 41 -8.689 -7.571 -5.116 267 HB3 LYS 41 2HB LYS 41 -9.193 -7.173 -6.753 268 HG2 LYS 41 1HG LYS 41 -6.827 -7.986 -7.418 269 HG3 LYS 41 2HG LYS 41 -6.843 -8.772 -5.837 270 HD2 LYS 41 1HD LYS 41 -9.198 -9.620 -6.650 271 HD3 LYS 41 2HD LYS 41 -8.515 -9.306 -8.248 272 HE2 LYS 41 1HE LYS 41 -8.057 -11.576 -7.750 273 HE3 LYS 41 2HE LYS 41 -6.538 -10.702 -7.552 274 HZ1 LYS 41 1HZ LYS 41 -6.438 -11.634 -5.554 275 HZ2 LYS 41 2HZ LYS 41 -8.036 -12.184 -5.628 276 HZ3 LYS 41 3HZ LYS 41 -7.705 -10.617 -5.083 277 H ALA 42 H ALA 42 -5.176 -5.811 -5.377 278 HA ALA 42 HA ALA 42 -4.198 -5.202 -8.025 279 HB1 ALA 42 1HB ALA 42 -1.943 -5.357 -6.818 280 HB2 ALA 42 2HB ALA 42 -3.046 -4.066 -6.341 281 HB3 ALA 42 3HB ALA 42 -2.895 -5.511 -5.341 282 H ARG 43 H ARG 43 -2.718 -7.519 -5.807 283 HA ARG 43 HA ARG 43 -2.464 -9.396 -8.043 284 HB2 ARG 43 1HB ARG 43 -0.528 -8.520 -6.446 285 HB3 ARG 43 2HB ARG 43 -1.089 -9.847 -5.438 286 HG2 ARG 43 1HG ARG 43 -0.449 -11.454 -6.964 287 HG3 ARG 43 2HG ARG 43 -0.478 -10.325 -8.320 288 HD2 ARG 43 1HD ARG 43 1.475 -9.158 -7.258 289 HD3 ARG 43 2HD ARG 43 1.556 -10.489 -6.104 290 HE ARG 43 HE ARG 43 1.677 -11.817 -8.398 291 HH11 ARG 43 2HH1 ARG 43 3.326 -8.923 -7.386 292 HH12 ARG 43 1HH1 ARG 43 4.727 -9.224 -8.360 293 HH21 ARG 43 2HH2 ARG 43 3.516 -12.225 -9.684 294 HH22 ARG 43 1HH2 ARG 43 4.834 -11.103 -9.667 295 H ASP 44 H ASP 44 -2.588 -9.990 -4.547 296 HA ASP 44 HA ASP 44 -4.755 -11.926 -5.044 297 HB2 ASP 44 1HB ASP 44 -2.371 -12.732 -4.312 298 HB3 ASP 44 2HB ASP 44 -2.883 -12.187 -2.717 299 H LYS 45 H LYS 45 -3.604 -9.278 -3.140 300 HA LYS 45 HA LYS 45 -5.697 -9.548 -1.145 301 HB2 LYS 45 1HB LYS 45 -3.348 -7.747 -1.541 302 HB3 LYS 45 2HB LYS 45 -4.669 -7.190 -0.522 303 HG2 LYS 45 1HG LYS 45 -4.341 -9.589 0.560 304 HG3 LYS 45 2HG LYS 45 -2.709 -9.364 -0.074 305 HD2 LYS 45 1HD LYS 45 -4.136 -7.349 1.656 306 HD3 LYS 45 2HD LYS 45 -3.035 -8.579 2.281 307 HE2 LYS 45 1HE LYS 45 -1.426 -7.571 0.450 308 HE3 LYS 45 2HE LYS 45 -2.460 -6.157 0.646 309 HZ1 LYS 45 1HZ LYS 45 -2.013 -6.533 3.143 310 HZ2 LYS 45 2HZ LYS 45 -0.816 -5.802 2.198 311 HZ3 LYS 45 3HZ LYS 45 -0.683 -7.436 2.614 312 H TYR 46 H TYR 46 -7.079 -7.629 -0.653 313 HA TYR 46 HA TYR 46 -7.879 -6.227 -3.117 314 HB2 TYR 46 1HB TYR 46 -9.709 -7.350 -0.986 315 HB3 TYR 46 2HB TYR 46 -10.225 -6.405 -2.377 316 HD1 TYR 46 1HD TYR 46 -8.155 -9.448 -1.692 317 HD2 TYR 46 2HD TYR 46 -11.085 -7.588 -4.154 318 HE1 TYR 46 1HE TYR 46 -8.344 -11.512 -3.015 319 HE2 TYR 46 2HE TYR 46 -11.283 -9.648 -5.483 320 HH TYR 46 HH TYR 46 -9.793 -12.619 -4.504 321 H ARG 47 H ARG 47 -8.707 -4.129 -2.878 322 HA ARG 47 HA ARG 47 -8.699 -2.920 -0.232 323 HB2 ARG 47 1HB ARG 47 -6.908 -1.933 -2.460 324 HB3 ARG 47 2HB ARG 47 -7.188 -1.097 -0.938 325 HG2 ARG 47 1HG ARG 47 -6.166 -3.897 -0.900 326 HG3 ARG 47 2HG ARG 47 -5.065 -2.569 -1.271 327 HD2 ARG 47 1HD ARG 47 -5.742 -1.467 0.832 328 HD3 ARG 47 2HD ARG 47 -6.764 -2.854 1.204 329 HE ARG 47 HE ARG 47 -4.850 -4.131 1.623 330 HH11 ARG 47 2HH1 ARG 47 -4.062 -0.889 0.628 331 HH12 ARG 47 1HH1 ARG 47 -2.417 -0.985 1.164 332 HH21 ARG 47 2HH2 ARG 47 -2.686 -4.270 2.332 333 HH22 ARG 47 1HH2 ARG 47 -1.635 -2.908 2.132 334 H HIS 48 H HIS 48 -10.028 -1.158 -0.063 335 HA HIS 48 HA HIS 48 -12.126 -0.847 -1.845 336 HB2 HIS 48 1HB HIS 48 -11.056 0.745 0.429 337 HB3 HIS 48 2HB HIS 48 -12.206 1.541 -0.642 338 HD2 HIS 48 2HD HIS 48 -14.316 -0.921 -1.052 339 HE1 HIS 48 1HE HIS 48 -14.523 -0.911 3.186 340 HE2 HIS 48 2HE HIS 48 -15.589 -1.722 1.053 341 HA PRO 49 HA PRO 49 -10.810 1.775 -5.104 342 HB2 PRO 49 1HB PRO 49 -12.903 3.479 -5.401 343 HB3 PRO 49 2HB PRO 49 -12.977 1.776 -5.868 344 HG2 PRO 49 1HG PRO 49 -13.991 3.104 -3.385 345 HG3 PRO 49 2HG PRO 49 -14.770 1.869 -4.391 346 HD2 PRO 49 1HD PRO 49 -13.515 1.276 -2.066 347 HD3 PRO 49 2HD PRO 49 -13.561 0.152 -3.440 348 H GLU 50 H GLU 50 -11.367 3.073 -2.004 349 HA GLU 50 HA GLU 50 -10.042 5.590 -2.773 350 HB2 GLU 50 1HB GLU 50 -11.181 6.716 -1.000 351 HB3 GLU 50 2HB GLU 50 -12.388 5.827 -1.918 352 HG2 GLU 50 1HG GLU 50 -12.120 3.993 -0.168 353 HG3 GLU 50 2HG GLU 50 -11.268 5.202 0.791 354 H CYS 51 H CYS 51 -10.063 2.836 -0.666 355 HA CYS 51 HA CYS 51 -8.154 3.824 1.213 356 HB2 CYS 51 1HB CYS 51 -9.118 1.039 0.555 357 HB3 CYS 51 2HB CYS 51 -7.950 1.375 1.829 358 H PHE 52 H PHE 52 -7.979 2.027 -1.797 359 HA PHE 52 HA PHE 52 -5.393 1.067 -1.713 360 HB2 PHE 52 1HB PHE 52 -7.292 0.969 -3.568 361 HB3 PHE 52 2HB PHE 52 -6.347 2.281 -4.265 362 HD1 PHE 52 2HD PHE 52 -5.285 -0.801 -2.466 363 HD2 PHE 52 1HD PHE 52 -5.245 1.420 -6.097 364 HE1 PHE 52 2HE PHE 52 -3.739 -2.443 -3.450 365 HE2 PHE 52 1HE PHE 52 -3.700 -0.219 -7.087 366 HZ PHE 52 HZ PHE 52 -2.944 -2.153 -5.762 367 H VAL 53 H VAL 53 -3.765 2.273 -0.919 368 HA VAL 53 HA VAL 53 -2.775 4.450 -2.522 369 HB VAL 53 HB VAL 53 -2.714 6.134 -0.788 370 HG11 VAL 53 1HG1 VAL 53 -4.673 6.089 -2.242 371 HG12 VAL 53 2HG1 VAL 53 -5.497 5.014 -1.111 372 HG13 VAL 53 3HG1 VAL 53 -5.095 6.663 -0.629 373 HG21 VAL 53 1HG2 VAL 53 -2.521 4.816 1.189 374 HG22 VAL 53 2HG2 VAL 53 -4.000 5.766 1.333 375 HG23 VAL 53 3HG2 VAL 53 -4.089 4.057 0.907 376 H CYS 54 H CYS 54 -0.735 5.397 -1.426 377 HA CYS 54 HA CYS 54 1.038 3.244 -0.925 378 HB2 CYS 54 1HB CYS 54 1.647 5.435 -2.005 379 HB3 CYS 54 2HB CYS 54 1.553 6.178 -0.412 380 H ALA 55 H ALA 55 2.533 3.207 0.991 381 HA ALA 55 HA ALA 55 0.941 3.508 3.443 382 HB1 ALA 55 1HB ALA 55 3.117 1.621 2.637 383 HB2 ALA 55 2HB ALA 55 2.779 1.918 4.343 384 HB3 ALA 55 3HB ALA 55 1.517 1.272 3.294 385 H ASP 56 H ASP 56 3.208 5.165 1.798 386 HA ASP 56 HA ASP 56 4.520 6.134 4.254 387 HB2 ASP 56 1HB ASP 56 5.899 5.003 2.321 388 HB3 ASP 56 2HB ASP 56 5.717 6.575 1.546 389 H CYS 57 H CYS 57 3.119 7.038 1.142 390 HA CYS 57 HA CYS 57 2.864 9.800 2.140 391 HB2 CYS 57 1HB CYS 57 2.790 10.480 -0.266 392 HB3 CYS 57 2HB CYS 57 4.329 9.783 0.229 393 H ASN 58 H ASN 58 1.231 6.995 1.187 394 HA ASN 58 HA ASN 58 -0.975 6.469 1.014 395 HB2 ASN 58 1HB ASN 58 -0.977 8.208 2.993 396 HB3 ASN 58 2HB ASN 58 -1.792 9.234 1.816 397 HD21 ASN 58 1HD2 ASN 58 -3.877 8.826 1.274 398 HD22 ASN 58 2HD2 ASN 58 -4.841 7.602 2.020 399 H LEU 59 H LEU 59 0.292 7.245 -1.298 400 HA LEU 59 HA LEU 59 -1.439 9.120 -2.693 401 HB2 LEU 59 1HB LEU 59 1.194 8.633 -2.913 402 HB3 LEU 59 2HB LEU 59 0.588 7.562 -4.175 403 HG LEU 59 HG LEU 59 -0.032 10.509 -4.045 404 HD11 LEU 59 1HD1 LEU 59 2.351 10.261 -4.310 405 HD12 LEU 59 2HD1 LEU 59 1.637 10.736 -5.851 406 HD13 LEU 59 3HD1 LEU 59 2.119 9.061 -5.583 407 HD21 LEU 59 1HD2 LEU 59 -1.261 8.492 -5.447 408 HD22 LEU 59 2HD2 LEU 59 -0.090 9.121 -6.608 409 HD23 LEU 59 3HD2 LEU 59 -1.275 10.203 -5.876 410 H ASN 60 H ASN 60 -2.966 8.593 -4.163 411 HA ASN 60 HA ASN 60 -4.133 6.050 -4.139 412 HB2 ASN 60 1HB ASN 60 -4.437 8.425 -5.963 413 HB3 ASN 60 2HB ASN 60 -5.333 6.936 -6.246 414 HD21 ASN 60 1HD2 ASN 60 -6.632 6.135 -4.417 415 HD22 ASN 60 2HD2 ASN 60 -7.413 7.297 -3.404 416 H LEU 61 H LEU 61 -3.051 4.295 -4.800 417 HA LEU 61 HA LEU 61 -1.309 4.388 -7.112 418 HB2 LEU 61 1HB LEU 61 -2.092 1.976 -5.493 419 HB3 LEU 61 2HB LEU 61 -0.691 2.157 -6.546 420 HG LEU 61 HG LEU 61 -1.116 3.612 -3.936 421 HD11 LEU 61 1HD1 LEU 61 -0.162 0.976 -4.504 422 HD12 LEU 61 2HD1 LEU 61 -0.342 1.787 -2.949 423 HD13 LEU 61 3HD1 LEU 61 1.155 1.960 -3.866 424 HD21 LEU 61 1HD2 LEU 61 1.151 3.590 -5.917 425 HD22 LEU 61 2HD2 LEU 61 1.313 4.169 -4.259 426 HD23 LEU 61 3HD2 LEU 61 0.203 4.973 -5.370 427 H LYS 62 H LYS 62 -4.575 3.732 -6.482 428 HA LYS 62 HA LYS 62 -5.417 1.726 -8.055 429 HB2 LYS 62 1HB LYS 62 -7.066 3.038 -6.985 430 HB3 LYS 62 2HB LYS 62 -6.535 4.509 -7.791 431 HG2 LYS 62 1HG LYS 62 -8.499 3.979 -8.892 432 HG3 LYS 62 2HG LYS 62 -7.255 3.324 -9.959 433 HD2 LYS 62 1HD LYS 62 -7.633 1.156 -8.505 434 HD3 LYS 62 2HD LYS 62 -9.203 1.906 -8.207 435 HE2 LYS 62 1HE LYS 62 -9.401 2.156 -10.721 436 HE3 LYS 62 2HE LYS 62 -7.998 1.096 -10.843 437 HZ1 LYS 62 1HZ LYS 62 -9.973 -0.206 -11.050 438 HZ2 LYS 62 2HZ LYS 62 -10.623 0.435 -9.626 439 HZ3 LYS 62 3HZ LYS 62 -9.264 -0.571 -9.558 440 H GLN 63 H GLN 63 -5.090 5.012 -9.409 441 HA GLN 63 HA GLN 63 -5.089 4.019 -12.095 442 HB2 GLN 63 1HB GLN 63 -4.493 6.443 -12.627 443 HB3 GLN 63 2HB GLN 63 -6.035 6.158 -11.830 444 HG2 GLN 63 1HG GLN 63 -5.332 7.069 -9.840 445 HG3 GLN 63 2HG GLN 63 -3.629 6.776 -10.186 446 HE21 GLN 63 1HE2 GLN 63 -6.301 8.492 -11.779 447 HE22 GLN 63 2HE2 GLN 63 -5.430 9.963 -12.031 448 H LYS 64 H LYS 64 -2.643 5.216 -9.851 449 HA LYS 64 HA LYS 64 -0.506 5.153 -11.742 450 HB2 LYS 64 1HB LYS 64 -0.527 5.244 -8.723 451 HB3 LYS 64 2HB LYS 64 0.938 5.346 -9.691 452 HG2 LYS 64 1HG LYS 64 -0.002 7.364 -10.794 453 HG3 LYS 64 2HG LYS 64 -1.361 7.289 -9.669 454 HD2 LYS 64 1HD LYS 64 0.145 7.560 -7.788 455 HD3 LYS 64 2HD LYS 64 1.540 7.533 -8.870 456 HE2 LYS 64 1HE LYS 64 0.971 9.815 -8.210 457 HE3 LYS 64 2HE LYS 64 0.757 9.577 -9.944 458 HZ1 LYS 64 1HZ LYS 64 -1.097 10.793 -9.085 459 HZ2 LYS 64 2HZ LYS 64 -1.381 9.635 -7.885 460 HZ3 LYS 64 3HZ LYS 64 -1.636 9.247 -9.512 461 H GLY 65 H GLY 65 1.550 3.816 -10.975 462 HA2 GLY 65 1HA GLY 65 0.759 1.041 -11.253 463 HA3 GLY 65 2HA GLY 65 2.397 1.673 -11.324 464 H TYR 66 H TYR 66 0.036 0.146 -9.396 465 HA TYR 66 HA TYR 66 1.041 0.740 -6.824 466 HB2 TYR 66 1HB TYR 66 -0.376 -0.974 -6.027 467 HB3 TYR 66 2HB TYR 66 -1.209 -0.309 -7.427 468 HD1 TYR 66 2HD TYR 66 0.726 -3.182 -6.170 469 HD2 TYR 66 1HD TYR 66 -1.599 -1.636 -9.380 470 HE1 TYR 66 2HE TYR 66 0.595 -5.433 -7.152 471 HE2 TYR 66 1HE TYR 66 -1.737 -3.883 -10.371 472 HH TYR 66 HH TYR 66 -1.503 -6.446 -9.156 473 H PHE 67 H PHE 67 2.057 -0.878 -5.364 474 HA PHE 67 HA PHE 67 3.885 -2.710 -6.740 475 HB2 PHE 67 1HB PHE 67 4.618 -0.365 -5.053 476 HB3 PHE 67 2HB PHE 67 5.586 -1.826 -4.892 477 HD1 PHE 67 1HD PHE 67 4.119 0.240 -7.636 478 HD2 PHE 67 2HD PHE 67 7.476 -1.931 -6.174 479 HE1 PHE 67 1HE PHE 67 5.397 0.872 -9.641 480 HE2 PHE 67 2HE PHE 67 8.760 -1.302 -8.177 481 HZ PHE 67 HZ PHE 67 7.721 0.102 -9.913 482 H PHE 68 H PHE 68 5.214 -3.917 -4.907 483 HA PHE 68 HA PHE 68 3.590 -4.451 -2.555 484 HB2 PHE 68 1HB PHE 68 3.880 -6.320 -4.847 485 HB3 PHE 68 2HB PHE 68 3.995 -7.014 -3.233 486 HD1 PHE 68 1HD PHE 68 2.085 -6.097 -1.581 487 HD2 PHE 68 2HD PHE 68 1.813 -6.319 -5.822 488 HE1 PHE 68 1HE PHE 68 -0.370 -6.130 -1.418 489 HE2 PHE 68 2HE PHE 68 -0.642 -6.351 -5.666 490 HZ PHE 68 HZ PHE 68 -1.737 -6.256 -3.462 491 H VAL 69 H VAL 69 5.147 -3.997 -1.105 492 HA VAL 69 HA VAL 69 7.610 -5.603 -1.237 493 HB VAL 69 HB VAL 69 7.502 -2.745 -0.267 494 HG11 VAL 69 1HG1 VAL 69 9.530 -3.099 0.565 495 HG12 VAL 69 2HG1 VAL 69 9.351 -4.812 0.181 496 HG13 VAL 69 3HG1 VAL 69 10.100 -3.719 -0.984 497 HG21 VAL 69 1HG2 VAL 69 7.876 -2.005 -2.333 498 HG22 VAL 69 2HG2 VAL 69 9.132 -3.212 -2.609 499 HG23 VAL 69 3HG2 VAL 69 7.441 -3.615 -2.908 500 H GLU 70 H GLU 70 7.852 -6.838 0.498 501 HA GLU 70 HA GLU 70 7.609 -7.710 2.586 502 HB2 GLU 70 1HB GLU 70 7.466 -4.788 3.349 503 HB3 GLU 70 2HB GLU 70 7.716 -6.116 4.473 504 HG2 GLU 70 1HG GLU 70 9.728 -6.634 2.833 505 HG3 GLU 70 2HG GLU 70 9.581 -4.906 2.517 506 H GLY 71 H GLY 71 5.266 -7.596 1.065 507 HA2 GLY 71 1HA GLY 71 3.017 -7.980 1.336 508 HA3 GLY 71 2HA GLY 71 3.309 -8.009 3.068 509 H GLU 72 H GLU 72 4.324 -5.175 1.442 510 HA GLU 72 HA GLU 72 1.865 -3.780 2.267 511 HB2 GLU 72 1HB GLU 72 3.710 -3.369 3.867 512 HB3 GLU 72 2HB GLU 72 4.689 -2.739 2.550 513 HG2 GLU 72 1HG GLU 72 3.890 -0.802 3.448 514 HG3 GLU 72 2HG GLU 72 2.667 -1.117 2.218 515 H LEU 73 H LEU 73 1.320 -1.899 1.068 516 HA LEU 73 HA LEU 73 2.251 -2.023 -1.691 517 HB2 LEU 73 1HB LEU 73 -0.150 -1.013 -0.297 518 HB3 LEU 73 2HB LEU 73 0.344 -0.132 -1.741 519 HG LEU 73 HG LEU 73 0.070 -3.093 -1.913 520 HD11 LEU 73 1HD1 LEU 73 -2.359 -1.466 -2.403 521 HD12 LEU 73 2HD1 LEU 73 -1.963 -1.865 -0.732 522 HD13 LEU 73 3HD1 LEU 73 -2.200 -3.153 -1.913 523 HD21 LEU 73 1HD2 LEU 73 -0.822 -1.011 -3.875 524 HD22 LEU 73 2HD2 LEU 73 -0.336 -2.681 -4.168 525 HD23 LEU 73 3HD2 LEU 73 0.875 -1.470 -3.743 526 H TYR 74 H TYR 74 2.826 -0.104 -2.869 527 HA TYR 74 HA TYR 74 3.407 2.329 -1.455 528 HB2 TYR 74 1HB TYR 74 5.656 0.521 -2.347 529 HB3 TYR 74 2HB TYR 74 5.872 2.234 -2.009 530 HD1 TYR 74 2HD TYR 74 5.255 3.064 0.336 531 HD2 TYR 74 1HD TYR 74 5.766 -1.051 -0.618 532 HE1 TYR 74 2HE TYR 74 5.583 2.558 2.721 533 HE2 TYR 74 1HE TYR 74 6.095 -1.569 1.764 534 HH TYR 74 HH TYR 74 5.266 0.451 4.215 535 H CYS 75 H CYS 75 4.159 4.024 -2.858 536 HA CYS 75 HA CYS 75 3.064 3.808 -5.498 537 HB2 CYS 75 1HB CYS 75 3.760 6.178 -5.719 538 HB3 CYS 75 2HB CYS 75 2.815 5.883 -4.263 539 H GLU 76 H GLU 76 4.307 4.599 -7.424 540 HA GLU 76 HA GLU 76 6.397 2.921 -8.051 541 HB2 GLU 76 1HB GLU 76 4.941 4.551 -9.521 542 HB3 GLU 76 2HB GLU 76 6.306 5.636 -9.301 543 HG2 GLU 76 1HG GLU 76 7.725 3.631 -10.103 544 HG3 GLU 76 2HG GLU 76 6.194 3.010 -10.719 545 H THR 77 H THR 77 6.517 6.139 -6.632 546 HA THR 77 HA THR 77 9.320 6.495 -6.833 547 HB THR 77 HB THR 77 7.372 7.733 -4.878 548 HG1 THR 77 1HG THR 77 6.873 9.007 -6.489 549 HG21 THR 77 1HG2 THR 77 9.904 9.067 -5.671 550 HG22 THR 77 2HG2 THR 77 10.009 7.743 -4.511 551 HG23 THR 77 3HG2 THR 77 9.008 9.151 -4.156 552 H HIS 78 H HIS 78 7.472 6.050 -3.819 553 HA HIS 78 HA HIS 78 9.640 5.284 -2.253 554 HB2 HIS 78 1HB HIS 78 6.681 4.804 -2.004 555 HB3 HIS 78 2HB HIS 78 7.808 4.165 -0.811 556 HD2 HIS 78 2HD HIS 78 9.698 6.716 -0.293 557 HE1 HIS 78 1HE HIS 78 6.089 8.851 0.357 558 HE2 HIS 78 2HE HIS 78 8.594 8.869 0.622 559 H ALA 79 H ALA 79 7.163 3.171 -3.714 560 HA ALA 79 HA ALA 79 8.086 0.715 -2.985 561 HB1 ALA 79 1HB ALA 79 7.123 1.305 -5.775 562 HB2 ALA 79 2HB ALA 79 6.962 -0.198 -4.866 563 HB3 ALA 79 3HB ALA 79 6.054 1.231 -4.374 564 H ARG 80 H ARG 80 9.100 2.462 -5.926 565 HA ARG 80 HA ARG 80 10.923 0.714 -6.953 566 HB2 ARG 80 1HB ARG 80 10.718 3.679 -6.926 567 HB3 ARG 80 2HB ARG 80 12.241 2.985 -7.463 568 HG2 ARG 80 1HG ARG 80 11.198 1.841 -9.250 569 HG3 ARG 80 2HG ARG 80 9.587 2.174 -8.611 570 HD2 ARG 80 1HD ARG 80 9.708 3.780 -10.233 571 HD3 ARG 80 2HD ARG 80 10.373 4.674 -8.867 572 HE ARG 80 HE ARG 80 12.375 3.312 -10.400 573 HH11 ARG 80 2HH1 ARG 80 10.436 6.195 -10.181 574 HH12 ARG 80 1HH1 ARG 80 11.548 7.168 -11.085 575 HH21 ARG 80 2HH2 ARG 80 13.847 4.583 -11.591 576 HH22 ARG 80 1HH2 ARG 80 13.487 6.251 -11.887 577 H ALA 81 H ALA 81 11.430 2.985 -4.290 578 HA ALA 81 HA ALA 81 14.192 2.480 -3.956 579 HB1 ALA 81 1HB ALA 81 13.856 4.302 -2.723 580 HB2 ALA 81 2HB ALA 81 12.125 3.983 -2.592 581 HB3 ALA 81 3HB ALA 81 13.249 3.227 -1.462 582 H ARG 82 H ARG 82 11.305 0.896 -2.768 583 HA ARG 82 HA ARG 82 12.763 -0.756 -0.895 584 HB2 ARG 82 1HB ARG 82 9.892 -0.983 -1.817 585 HB3 ARG 82 2HB ARG 82 10.608 -1.785 -0.425 586 HG2 ARG 82 1HG ARG 82 10.667 0.142 0.828 587 HG3 ARG 82 2HG ARG 82 10.672 1.190 -0.591 588 HD2 ARG 82 1HD ARG 82 8.305 0.230 -1.007 589 HD3 ARG 82 2HD ARG 82 8.382 -0.258 0.686 590 HE ARG 82 HE ARG 82 7.902 2.353 -0.300 591 HH11 ARG 82 2HH1 ARG 82 9.526 0.637 2.256 592 HH12 ARG 82 1HH1 ARG 82 9.423 1.951 3.381 593 HH21 ARG 82 2HH2 ARG 82 7.760 4.090 1.171 594 HH22 ARG 82 1HH2 ARG 82 8.418 3.914 2.763 595 H THR 83 H THR 83 12.029 -0.826 -4.206 596 HA THR 83 HA THR 83 13.112 -3.522 -4.419 597 HB THR 83 HB THR 83 10.731 -3.968 -4.368 598 HG1 THR 83 1HG THR 83 11.560 -4.075 -7.088 599 HG21 THR 83 1HG2 THR 83 9.797 -2.799 -6.763 600 HG22 THR 83 2HG2 THR 83 10.578 -1.517 -5.837 601 HG23 THR 83 3HG2 THR 83 9.274 -2.458 -5.114 602 H SER 84 H SER 84 14.889 -2.946 -5.545 603 HA SER 84 HA SER 84 14.506 -1.354 -7.993 604 HB2 SER 84 1HB SER 84 16.030 -0.253 -6.487 605 HB3 SER 84 2HB SER 84 16.956 -1.737 -6.261 606 HG SER 84 HG SER 84 17.335 -1.591 -8.613 607 H GLY 85 H GLY 85 14.220 -2.730 -9.643 608 HA2 GLY 85 1HA GLY 85 16.153 -4.110 -10.915 609 HA3 GLY 85 2HA GLY 85 15.592 -5.279 -9.729 610 HA PRO 86 HA PRO 86 12.084 -6.379 -12.126 611 HB2 PRO 86 1HB PRO 86 9.900 -5.982 -10.562 612 HB3 PRO 86 2HB PRO 86 11.068 -7.277 -10.271 613 HG2 PRO 86 1HG PRO 86 10.834 -4.604 -8.944 614 HG3 PRO 86 2HG PRO 86 11.147 -6.191 -8.216 615 HD2 PRO 86 1HD PRO 86 13.115 -4.393 -8.693 616 HD3 PRO 86 2HD PRO 86 13.383 -6.146 -8.775 617 H SER 87 H SER 87 10.836 -5.554 -13.716 618 HA SER 87 HA SER 87 10.766 -2.825 -14.250 619 HB2 SER 87 1HB SER 87 9.441 -3.346 -16.126 620 HB3 SER 87 2HB SER 87 10.376 -4.815 -15.843 621 HG SER 87 HG SER 87 8.369 -5.577 -16.015 622 H SER 88 H SER 88 8.592 -1.656 -14.725 623 HA SER 88 HA SER 88 7.178 -1.525 -12.186 624 HB2 SER 88 1HB SER 88 8.040 0.536 -13.336 625 HB3 SER 88 2HB SER 88 6.850 0.260 -14.608 626 HG SER 88 HG SER 88 5.685 1.471 -13.312 627 H GLY 89 H GLY 89 6.278 -1.655 -15.640 628 HA2 GLY 89 1HA GLY 89 4.550 -2.781 -16.673 629 HA3 GLY 89 2HA GLY 89 4.235 -3.598 -15.150 Start of MODEL 5 1 H1 GLY 1 H GLY 1 27.636 -4.890 34.293 2 HA2 GLY 1 1HA GLY 1 26.130 -5.058 36.409 3 HA3 GLY 1 2HA GLY 1 25.417 -3.606 35.723 4 H SER 2 H SER 2 23.921 -5.893 36.206 5 HA SER 2 HA SER 2 22.866 -6.378 33.574 6 HB2 SER 2 1HB SER 2 24.391 -8.486 35.044 7 HB3 SER 2 2HB SER 2 22.956 -8.968 34.139 8 HG SER 2 HG SER 2 23.914 -7.928 32.302 9 H SER 3 H SER 3 20.780 -7.336 33.608 10 HA SER 3 HA SER 3 19.545 -8.136 36.062 11 HB2 SER 3 1HB SER 3 19.669 -5.526 36.063 12 HB3 SER 3 2HB SER 3 18.356 -5.640 34.891 13 HG SER 3 HG SER 3 18.214 -7.066 37.311 14 H GLY 4 H GLY 4 17.315 -8.798 35.770 15 HA2 GLY 4 1HA GLY 4 16.076 -8.724 33.201 16 HA3 GLY 4 2HA GLY 4 16.850 -10.275 33.487 17 H SER 5 H SER 5 14.019 -9.681 33.151 18 HA SER 5 HA SER 5 13.046 -11.156 35.427 19 HB2 SER 5 1HB SER 5 12.997 -8.688 36.096 20 HB3 SER 5 2HB SER 5 11.737 -8.492 34.878 21 HG SER 5 HG SER 5 11.544 -9.474 37.375 22 H SER 6 H SER 6 10.755 -11.775 35.166 23 HA SER 6 HA SER 6 9.551 -11.393 32.569 24 HB2 SER 6 1HB SER 6 9.499 -13.766 31.971 25 HB3 SER 6 2HB SER 6 11.165 -13.211 32.125 26 HG SER 6 HG SER 6 11.221 -14.157 34.192 27 H GLY 7 H GLY 7 7.409 -12.404 32.420 28 HA2 GLY 7 1HA GLY 7 6.270 -13.126 35.038 29 HA3 GLY 7 2HA GLY 7 5.530 -11.846 34.088 30 H VAL 8 H VAL 8 3.877 -13.783 34.727 31 HA VAL 8 HA VAL 8 3.420 -15.139 32.181 32 HB VAL 8 HB VAL 8 4.527 -16.871 33.402 33 HG11 VAL 8 1HG1 VAL 8 2.656 -16.176 35.659 34 HG12 VAL 8 2HG1 VAL 8 3.652 -17.632 35.619 35 HG13 VAL 8 3HG1 VAL 8 4.413 -16.041 35.638 36 HG21 VAL 8 1HG2 VAL 8 2.245 -18.261 33.992 37 HG22 VAL 8 2HG2 VAL 8 1.657 -17.035 32.868 38 HG23 VAL 8 3HG2 VAL 8 2.964 -18.117 32.388 39 H ARG 9 H ARG 9 1.411 -14.736 31.557 40 HA ARG 9 HA ARG 9 -0.783 -14.849 33.443 41 HB2 ARG 9 1HB ARG 9 -0.090 -12.313 31.956 42 HB3 ARG 9 2HB ARG 9 -1.650 -12.607 32.711 43 HG2 ARG 9 1HG ARG 9 -0.647 -11.457 34.387 44 HG3 ARG 9 2HG ARG 9 -0.124 -13.086 34.820 45 HD2 ARG 9 1HD ARG 9 1.885 -12.008 34.904 46 HD3 ARG 9 2HD ARG 9 1.880 -12.485 33.206 47 HE ARG 9 HE ARG 9 0.783 -9.865 33.802 48 HH11 ARG 9 2HH1 ARG 9 3.536 -11.739 32.788 49 HH12 ARG 9 1HH1 ARG 9 4.342 -10.397 32.046 50 HH21 ARG 9 2HH2 ARG 9 1.834 -8.090 32.827 51 HH22 ARG 9 1HH2 ARG 9 3.373 -8.321 32.069 52 H ALA 10 H ALA 10 -2.469 -15.801 32.503 53 HA ALA 10 HA ALA 10 -2.786 -15.570 29.588 54 HB1 ALA 10 1HB ALA 10 -1.878 -17.691 29.689 55 HB2 ALA 10 2HB ALA 10 -2.645 -18.060 31.235 56 HB3 ALA 10 3HB ALA 10 -3.608 -18.029 29.758 57 HA PRO 11 HA PRO 11 -6.793 -14.368 31.305 58 HB2 PRO 11 1HB PRO 11 -7.639 -13.149 29.032 59 HB3 PRO 11 2HB PRO 11 -6.557 -12.371 30.193 60 HG2 PRO 11 1HG PRO 11 -5.900 -13.736 27.611 61 HG3 PRO 11 2HG PRO 11 -5.264 -12.216 28.266 62 HD2 PRO 11 1HD PRO 11 -3.897 -14.550 28.410 63 HD3 PRO 11 2HD PRO 11 -3.775 -13.293 29.658 64 H VAL 12 H VAL 12 -8.944 -15.011 30.880 65 HA VAL 12 HA VAL 12 -9.511 -16.722 28.616 66 HB VAL 12 HB VAL 12 -10.258 -18.631 29.980 67 HG11 VAL 12 1HG1 VAL 12 -7.972 -18.511 28.963 68 HG12 VAL 12 2HG1 VAL 12 -7.366 -18.001 30.540 69 HG13 VAL 12 3HG1 VAL 12 -8.107 -19.591 30.351 70 HG21 VAL 12 1HG2 VAL 12 -9.447 -18.780 32.336 71 HG22 VAL 12 2HG2 VAL 12 -9.022 -17.071 32.245 72 HG23 VAL 12 3HG2 VAL 12 -10.705 -17.571 32.081 73 H THR 13 H THR 13 -11.502 -16.274 27.962 74 HA THR 13 HA THR 13 -13.677 -15.959 29.826 75 HB THR 13 HB THR 13 -12.729 -13.683 29.825 76 HG1 THR 13 1HG THR 13 -14.914 -12.954 28.517 77 HG21 THR 13 1HG2 THR 13 -11.979 -12.707 27.967 78 HG22 THR 13 2HG2 THR 13 -13.563 -12.862 27.206 79 HG23 THR 13 3HG2 THR 13 -12.387 -14.170 27.072 80 H LYS 14 H LYS 14 -15.755 -15.885 28.784 81 HA LYS 14 HA LYS 14 -16.005 -17.593 26.600 82 HB2 LYS 14 1HB LYS 14 -18.324 -17.148 26.665 83 HB3 LYS 14 2HB LYS 14 -17.769 -16.977 28.325 84 HG2 LYS 14 1HG LYS 14 -17.795 -14.520 26.689 85 HG3 LYS 14 2HG LYS 14 -19.364 -15.206 27.120 86 HD2 LYS 14 1HD LYS 14 -17.280 -14.895 29.233 87 HD3 LYS 14 2HD LYS 14 -18.178 -13.473 28.696 88 HE2 LYS 14 1HE LYS 14 -19.414 -14.281 30.506 89 HE3 LYS 14 2HE LYS 14 -20.277 -14.884 29.093 90 HZ1 LYS 14 1HZ LYS 14 -19.648 -16.433 31.117 91 HZ2 LYS 14 2HZ LYS 14 -18.213 -16.602 30.238 92 HZ3 LYS 14 3HZ LYS 14 -19.692 -17.015 29.529 93 H VAL 15 H VAL 15 -17.075 -17.070 24.499 94 HA VAL 15 HA VAL 15 -15.909 -14.610 23.375 95 HB VAL 15 HB VAL 15 -16.600 -17.195 21.972 96 HG11 VAL 15 1HG1 VAL 15 -15.352 -16.108 20.065 97 HG12 VAL 15 2HG1 VAL 15 -16.944 -15.434 20.423 98 HG13 VAL 15 3HG1 VAL 15 -15.488 -14.591 20.953 99 HG21 VAL 15 1HG2 VAL 15 -14.634 -17.427 23.365 100 HG22 VAL 15 2HG2 VAL 15 -14.160 -17.391 21.666 101 HG23 VAL 15 3HG2 VAL 15 -13.938 -15.961 22.674 102 H HIS 16 H HIS 16 -17.118 -13.347 21.948 103 HA HIS 16 HA HIS 16 -19.961 -13.399 22.421 104 HB2 HIS 16 1HB HIS 16 -18.862 -11.252 22.409 105 HB3 HIS 16 2HB HIS 16 -18.209 -11.544 20.799 106 HD1 HIS 16 1HD HIS 16 -21.452 -10.778 22.557 107 HD2 HIS 16 2HD HIS 16 -19.891 -10.901 18.709 108 HE1 HIS 16 1HE HIS 16 -23.204 -9.733 21.087 109 HE2 HIS 16 2HE HIS 16 -22.274 -9.896 18.753 110 H GLY 17 H GLY 17 -21.486 -14.222 21.133 111 HA2 GLY 17 1HA GLY 17 -20.635 -15.294 18.529 112 HA3 GLY 17 2HA GLY 17 -22.023 -15.845 19.456 113 H GLY 18 H GLY 18 -23.229 -15.626 17.464 114 HA2 GLY 18 1HA GLY 18 -24.946 -13.535 17.322 115 HA3 GLY 18 2HA GLY 18 -23.592 -12.991 16.343 116 H ALA 19 H ALA 19 -26.513 -14.559 16.277 117 HA ALA 19 HA ALA 19 -25.940 -16.414 14.144 118 HB1 ALA 19 1HB ALA 19 -28.663 -15.496 15.030 119 HB2 ALA 19 2HB ALA 19 -28.225 -17.006 14.231 120 HB3 ALA 19 3HB ALA 19 -27.735 -16.717 15.901 121 H GLY 20 H GLY 20 -26.138 -16.091 12.001 122 HA2 GLY 20 1HA GLY 20 -27.476 -14.930 10.235 123 HA3 GLY 20 2HA GLY 20 -27.151 -13.454 11.132 124 H SER 21 H SER 21 -26.324 -15.010 8.433 125 HA SER 21 HA SER 21 -23.562 -13.982 8.492 126 HB2 SER 21 1HB SER 21 -24.678 -16.523 7.383 127 HB3 SER 21 2HB SER 21 -23.325 -15.764 6.544 128 HG SER 21 HG SER 21 -22.999 -15.894 9.261 129 H ALA 22 H ALA 22 -22.729 -13.258 6.400 130 HA ALA 22 HA ALA 22 -24.873 -12.201 4.673 131 HB1 ALA 22 1HB ALA 22 -23.124 -10.362 4.189 132 HB2 ALA 22 2HB ALA 22 -24.027 -10.304 5.704 133 HB3 ALA 22 3HB ALA 22 -22.371 -10.910 5.687 134 H GLN 23 H GLN 23 -24.108 -11.661 2.436 135 HA GLN 23 HA GLN 23 -23.173 -13.901 1.116 136 HB2 GLN 23 1HB GLN 23 -24.326 -11.714 0.240 137 HB3 GLN 23 2HB GLN 23 -22.672 -11.185 -0.038 138 HG2 GLN 23 1HG GLN 23 -23.528 -13.842 -1.068 139 HG3 GLN 23 2HG GLN 23 -24.040 -12.384 -1.915 140 HE21 GLN 23 1HE2 GLN 23 -22.198 -14.567 -2.682 141 HE22 GLN 23 2HE2 GLN 23 -20.717 -13.785 -3.108 142 H ARG 24 H ARG 24 -21.195 -14.271 -0.073 143 HA ARG 24 HA ARG 24 -18.882 -13.791 1.538 144 HB2 ARG 24 1HB ARG 24 -19.404 -15.226 -1.043 145 HB3 ARG 24 2HB ARG 24 -17.751 -14.916 -0.529 146 HG2 ARG 24 1HG ARG 24 -19.698 -16.238 1.316 147 HG3 ARG 24 2HG ARG 24 -18.849 -17.163 0.077 148 HD2 ARG 24 1HD ARG 24 -17.552 -15.476 2.214 149 HD3 ARG 24 2HD ARG 24 -17.685 -17.234 2.235 150 HE ARG 24 HE ARG 24 -16.358 -16.136 -0.085 151 HH11 ARG 24 2HH1 ARG 24 -16.006 -17.396 3.141 152 HH12 ARG 24 1HH1 ARG 24 -14.341 -17.826 2.931 153 HH21 ARG 24 2HH2 ARG 24 -14.167 -16.698 -0.374 154 HH22 ARG 24 1HH2 ARG 24 -13.295 -17.428 0.932 155 H MET 25 H MET 25 -17.826 -11.924 1.542 156 HA MET 25 HA MET 25 -17.189 -10.660 -1.022 157 HB2 MET 25 1HB MET 25 -17.852 -8.496 -0.338 158 HB3 MET 25 2HB MET 25 -19.200 -9.551 0.066 159 HG2 MET 25 1HG MET 25 -17.099 -8.624 2.011 160 HG3 MET 25 2HG MET 25 -18.690 -7.893 1.814 161 HE1 MET 25 1HE MET 25 -17.687 -10.880 4.808 162 HE2 MET 25 2HE MET 25 -16.576 -10.077 3.699 163 HE3 MET 25 3HE MET 25 -17.613 -9.118 4.756 164 HA PRO 26 HA PRO 26 -13.153 -10.292 0.671 165 HB2 PRO 26 1HB PRO 26 -12.243 -8.120 -0.681 166 HB3 PRO 26 2HB PRO 26 -12.463 -9.702 -1.440 167 HG2 PRO 26 1HG PRO 26 -14.258 -7.307 -1.499 168 HG3 PRO 26 2HG PRO 26 -13.807 -8.400 -2.820 169 HD2 PRO 26 1HD PRO 26 -16.172 -8.590 -1.516 170 HD3 PRO 26 2HD PRO 26 -15.333 -10.005 -2.181 171 H LEU 27 H LEU 27 -12.116 -9.310 2.342 172 HA LEU 27 HA LEU 27 -13.450 -6.990 3.539 173 HB2 LEU 27 1HB LEU 27 -12.757 -9.335 4.667 174 HB3 LEU 27 2HB LEU 27 -11.309 -8.392 5.009 175 HG LEU 27 HG LEU 27 -12.866 -8.356 6.886 176 HD11 LEU 27 1HD1 LEU 27 -11.998 -5.964 5.440 177 HD12 LEU 27 2HD1 LEU 27 -11.784 -6.412 7.131 178 HD13 LEU 27 3HD1 LEU 27 -13.298 -5.683 6.598 179 HD21 LEU 27 1HD2 LEU 27 -15.042 -8.427 6.400 180 HD22 LEU 27 2HD2 LEU 27 -14.783 -7.815 4.766 181 HD23 LEU 27 3HD2 LEU 27 -14.923 -6.690 6.119 182 H CYS 28 H CYS 28 -12.555 -5.051 3.384 183 HA CYS 28 HA CYS 28 -10.227 -4.460 2.023 184 HB2 CYS 28 1HB CYS 28 -12.074 -2.860 2.660 185 HB3 CYS 28 2HB CYS 28 -11.356 -2.781 4.266 186 H ASP 29 H ASP 29 -8.194 -4.955 2.466 187 HA ASP 29 HA ASP 29 -7.349 -5.737 5.089 188 HB2 ASP 29 1HB ASP 29 -6.116 -5.593 2.388 189 HB3 ASP 29 2HB ASP 29 -5.024 -5.559 3.769 190 H LYS 30 H LYS 30 -7.985 -2.785 3.917 191 HA LYS 30 HA LYS 30 -5.684 -1.448 5.138 192 HB2 LYS 30 1HB LYS 30 -6.360 -0.673 2.918 193 HB3 LYS 30 2HB LYS 30 -7.980 -0.335 3.514 194 HG2 LYS 30 1HG LYS 30 -7.188 1.752 3.721 195 HG3 LYS 30 2HG LYS 30 -6.519 1.138 5.235 196 HD2 LYS 30 1HD LYS 30 -4.471 0.484 3.825 197 HD3 LYS 30 2HD LYS 30 -5.140 1.570 2.604 198 HE2 LYS 30 1HE LYS 30 -3.481 2.679 4.047 199 HE3 LYS 30 2HE LYS 30 -5.077 3.418 4.165 200 HZ1 LYS 30 1HZ LYS 30 -4.042 1.417 6.096 201 HZ2 LYS 30 2HZ LYS 30 -5.449 2.345 6.239 202 HZ3 LYS 30 3HZ LYS 30 -3.933 3.090 6.327 203 H CYS 31 H CYS 31 -9.240 -1.140 5.182 204 HA CYS 31 HA CYS 31 -9.027 -0.113 7.932 205 HB2 CYS 31 1HB CYS 31 -11.188 0.948 7.578 206 HB3 CYS 31 2HB CYS 31 -10.073 1.425 6.302 207 H GLY 32 H GLY 32 -9.303 -2.959 6.658 208 HA2 GLY 32 1HA GLY 32 -10.509 -4.896 7.057 209 HA3 GLY 32 2HA GLY 32 -10.345 -4.351 8.720 210 H SER 33 H SER 33 -12.281 -3.102 6.010 211 HA SER 33 HA SER 33 -14.690 -3.587 7.636 212 HB2 SER 33 1HB SER 33 -14.060 -1.166 5.933 213 HB3 SER 33 2HB SER 33 -15.632 -1.487 6.666 214 HG SER 33 HG SER 33 -13.232 -0.707 7.853 215 H GLY 34 H GLY 34 -16.121 -4.863 6.674 216 HA2 GLY 34 1HA GLY 34 -15.964 -6.237 4.403 217 HA3 GLY 34 2HA GLY 34 -17.514 -5.629 4.966 218 H ILE 35 H ILE 35 -16.281 -6.047 2.232 219 HA ILE 35 HA ILE 35 -16.638 -3.305 1.216 220 HB ILE 35 HB ILE 35 -15.214 -5.594 -0.144 221 HG12 ILE 35 1HG1 ILE 35 -13.900 -3.118 0.942 222 HG13 ILE 35 2HG1 ILE 35 -14.163 -4.520 1.973 223 HG21 ILE 35 1HG2 ILE 35 -14.859 -4.248 -1.936 224 HG22 ILE 35 2HG2 ILE 35 -16.380 -3.546 -1.386 225 HG23 ILE 35 3HG2 ILE 35 -14.850 -2.774 -0.968 226 HD11 ILE 35 1HD1 ILE 35 -12.715 -4.698 -0.647 227 HD12 ILE 35 2HD1 ILE 35 -11.902 -4.327 0.873 228 HD13 ILE 35 3HD1 ILE 35 -12.741 -5.865 0.675 229 H VAL 36 H VAL 36 -18.415 -2.911 0.084 230 HA VAL 36 HA VAL 36 -19.608 -5.008 -1.553 231 HB VAL 36 HB VAL 36 -21.182 -3.522 0.555 232 HG11 VAL 36 1HG1 VAL 36 -22.980 -5.191 -0.299 233 HG12 VAL 36 2HG1 VAL 36 -22.680 -3.703 -1.198 234 HG13 VAL 36 3HG1 VAL 36 -21.996 -5.229 -1.761 235 HG21 VAL 36 1HG2 VAL 36 -20.503 -6.448 0.274 236 HG22 VAL 36 2HG2 VAL 36 -19.884 -5.341 1.500 237 HG23 VAL 36 3HG2 VAL 36 -21.596 -5.767 1.480 238 H GLY 37 H GLY 37 -19.773 -4.121 -3.501 239 HA2 GLY 37 1HA GLY 37 -21.180 -2.517 -4.783 240 HA3 GLY 37 2HA GLY 37 -20.601 -1.287 -3.669 241 H ALA 38 H ALA 38 -18.091 -1.209 -3.574 242 HA ALA 38 HA ALA 38 -16.946 -1.619 -6.245 243 HB1 ALA 38 1HB ALA 38 -17.817 0.849 -5.440 244 HB2 ALA 38 2HB ALA 38 -16.105 0.892 -5.016 245 HB3 ALA 38 3HB ALA 38 -16.594 0.547 -6.675 246 H VAL 39 H VAL 39 -15.045 -2.608 -6.124 247 HA VAL 39 HA VAL 39 -13.372 -2.193 -3.740 248 HB VAL 39 HB VAL 39 -14.695 -4.449 -3.873 249 HG11 VAL 39 1HG1 VAL 39 -13.671 -4.711 -6.281 250 HG12 VAL 39 2HG1 VAL 39 -12.310 -5.391 -5.387 251 HG13 VAL 39 3HG1 VAL 39 -13.913 -6.113 -5.239 252 HG21 VAL 39 1HG2 VAL 39 -13.127 -5.396 -2.461 253 HG22 VAL 39 2HG2 VAL 39 -11.762 -4.768 -3.385 254 HG23 VAL 39 3HG2 VAL 39 -12.714 -3.683 -2.371 255 H VAL 40 H VAL 40 -11.093 -2.802 -4.081 256 HA VAL 40 HA VAL 40 -10.261 -2.702 -6.898 257 HB VAL 40 HB VAL 40 -9.168 -0.964 -4.682 258 HG11 VAL 40 1HG1 VAL 40 -7.570 -0.123 -6.293 259 HG12 VAL 40 2HG1 VAL 40 -7.381 -1.870 -6.122 260 HG13 VAL 40 3HG1 VAL 40 -8.208 -1.204 -7.531 261 HG21 VAL 40 1HG2 VAL 40 -11.063 0.115 -5.481 262 HG22 VAL 40 2HG2 VAL 40 -9.774 0.816 -6.460 263 HG23 VAL 40 3HG2 VAL 40 -10.808 -0.444 -7.134 264 H LYS 41 H LYS 41 -9.422 -4.706 -7.074 265 HA LYS 41 HA LYS 41 -7.481 -5.578 -5.041 266 HB2 LYS 41 1HB LYS 41 -8.943 -7.333 -5.109 267 HB3 LYS 41 2HB LYS 41 -9.423 -7.010 -6.770 268 HG2 LYS 41 1HG LYS 41 -7.020 -7.825 -7.339 269 HG3 LYS 41 2HG LYS 41 -7.097 -8.568 -5.740 270 HD2 LYS 41 1HD LYS 41 -9.168 -9.723 -6.397 271 HD3 LYS 41 2HD LYS 41 -9.046 -9.004 -8.004 272 HE2 LYS 41 1HE LYS 41 -6.756 -10.576 -6.903 273 HE3 LYS 41 2HE LYS 41 -8.154 -11.421 -7.569 274 HZ1 LYS 41 1HZ LYS 41 -7.735 -10.651 -9.669 275 HZ2 LYS 41 2HZ LYS 41 -6.155 -10.800 -9.084 276 HZ3 LYS 41 3HZ LYS 41 -6.896 -9.281 -9.139 277 H ALA 42 H ALA 42 -5.399 -5.574 -5.559 278 HA ALA 42 HA ALA 42 -4.563 -4.935 -8.241 279 HB1 ALA 42 1HB ALA 42 -3.258 -3.849 -6.678 280 HB2 ALA 42 2HB ALA 42 -3.174 -5.255 -5.615 281 HB3 ALA 42 3HB ALA 42 -2.239 -5.223 -7.110 282 H ARG 43 H ARG 43 -3.044 -7.349 -6.145 283 HA ARG 43 HA ARG 43 -2.859 -9.143 -8.452 284 HB2 ARG 43 1HB ARG 43 -0.897 -8.387 -6.831 285 HB3 ARG 43 2HB ARG 43 -1.494 -9.732 -5.868 286 HG2 ARG 43 1HG ARG 43 -1.097 -11.272 -7.660 287 HG3 ARG 43 2HG ARG 43 -0.677 -9.953 -8.755 288 HD2 ARG 43 1HD ARG 43 1.264 -9.417 -7.392 289 HD3 ARG 43 2HD ARG 43 0.827 -10.681 -6.244 290 HE ARG 43 HE ARG 43 1.073 -11.861 -8.757 291 HH11 ARG 43 2HH1 ARG 43 3.074 -10.258 -6.402 292 HH12 ARG 43 1HH1 ARG 43 4.510 -11.118 -6.845 293 HH21 ARG 43 2HH2 ARG 43 2.958 -13.000 -9.349 294 HH22 ARG 43 1HH2 ARG 43 4.444 -12.678 -8.522 295 H ASP 44 H ASP 44 -2.987 -9.893 -4.988 296 HA ASP 44 HA ASP 44 -5.230 -11.720 -5.554 297 HB2 ASP 44 1HB ASP 44 -3.562 -13.225 -5.040 298 HB3 ASP 44 2HB ASP 44 -2.732 -12.101 -3.968 299 H LYS 45 H LYS 45 -3.956 -9.214 -3.560 300 HA LYS 45 HA LYS 45 -5.957 -9.540 -1.487 301 HB2 LYS 45 1HB LYS 45 -3.628 -7.726 -1.940 302 HB3 LYS 45 2HB LYS 45 -4.895 -7.203 -0.837 303 HG2 LYS 45 1HG LYS 45 -4.536 -9.600 0.185 304 HG3 LYS 45 2HG LYS 45 -2.952 -9.436 -0.577 305 HD2 LYS 45 1HD LYS 45 -4.093 -7.293 1.192 306 HD3 LYS 45 2HD LYS 45 -3.184 -8.657 1.848 307 HE2 LYS 45 1HE LYS 45 -2.105 -6.899 -0.340 308 HE3 LYS 45 2HE LYS 45 -1.883 -6.522 1.368 309 HZ1 LYS 45 1HZ LYS 45 -0.330 -8.191 -0.187 310 HZ2 LYS 45 2HZ LYS 45 -1.190 -9.219 0.846 311 HZ3 LYS 45 3HZ LYS 45 -0.236 -7.979 1.489 312 H TYR 46 H TYR 46 -7.265 -7.586 -0.847 313 HA TYR 46 HA TYR 46 -8.189 -6.102 -3.216 314 HB2 TYR 46 1HB TYR 46 -9.956 -7.293 -1.068 315 HB3 TYR 46 2HB TYR 46 -10.501 -6.342 -2.445 316 HD1 TYR 46 1HD TYR 46 -8.349 -9.350 -1.863 317 HD2 TYR 46 2HD TYR 46 -11.438 -7.545 -4.165 318 HE1 TYR 46 1HE TYR 46 -8.549 -11.408 -3.196 319 HE2 TYR 46 2HE TYR 46 -11.647 -9.598 -5.504 320 HH TYR 46 HH TYR 46 -10.576 -12.481 -4.630 321 H ARG 47 H ARG 47 -8.967 -4.014 -2.854 322 HA ARG 47 HA ARG 47 -8.883 -2.940 -0.149 323 HB2 ARG 47 1HB ARG 47 -7.164 -1.846 -2.384 324 HB3 ARG 47 2HB ARG 47 -7.392 -1.085 -0.815 325 HG2 ARG 47 1HG ARG 47 -6.402 -3.886 -0.895 326 HG3 ARG 47 2HG ARG 47 -5.294 -2.582 -1.326 327 HD2 ARG 47 1HD ARG 47 -5.734 -1.491 0.811 328 HD3 ARG 47 2HD ARG 47 -6.873 -2.768 1.238 329 HE ARG 47 HE ARG 47 -5.084 -4.222 1.596 330 HH11 ARG 47 2HH1 ARG 47 -4.004 -1.110 0.471 331 HH12 ARG 47 1HH1 ARG 47 -2.351 -1.379 0.912 332 HH21 ARG 47 2HH2 ARG 47 -2.911 -4.588 2.183 333 HH22 ARG 47 1HH2 ARG 47 -1.729 -3.358 1.886 334 H HIS 48 H HIS 48 -10.128 -1.107 0.135 335 HA HIS 48 HA HIS 48 -12.320 -0.731 -1.529 336 HB2 HIS 48 1HB HIS 48 -11.118 0.779 0.736 337 HB3 HIS 48 2HB HIS 48 -12.309 1.619 -0.253 338 HD2 HIS 48 2HD HIS 48 -14.434 -0.863 -0.631 339 HE1 HIS 48 1HE HIS 48 -14.494 -0.875 3.611 340 HE2 HIS 48 2HE HIS 48 -15.630 -1.680 1.512 341 HA PRO 49 HA PRO 49 -11.123 1.972 -4.768 342 HB2 PRO 49 1HB PRO 49 -13.203 3.711 -4.914 343 HB3 PRO 49 2HB PRO 49 -13.324 2.024 -5.427 344 HG2 PRO 49 1HG PRO 49 -14.199 3.289 -2.859 345 HG3 PRO 49 2HG PRO 49 -15.043 2.095 -3.863 346 HD2 PRO 49 1HD PRO 49 -13.687 1.415 -1.620 347 HD3 PRO 49 2HD PRO 49 -13.815 0.335 -3.023 348 H GLU 50 H GLU 50 -11.532 3.191 -1.609 349 HA GLU 50 HA GLU 50 -10.199 5.709 -2.365 350 HB2 GLU 50 1HB GLU 50 -11.234 6.790 -0.493 351 HB3 GLU 50 2HB GLU 50 -12.493 5.971 -1.406 352 HG2 GLU 50 1HG GLU 50 -12.424 4.117 0.212 353 HG3 GLU 50 2HG GLU 50 -11.226 5.009 1.148 354 H CYS 51 H CYS 51 -10.145 2.880 -0.372 355 HA CYS 51 HA CYS 51 -8.154 3.788 1.464 356 HB2 CYS 51 1HB CYS 51 -9.189 1.043 0.750 357 HB3 CYS 51 2HB CYS 51 -7.941 1.305 1.965 358 H PHE 52 H PHE 52 -8.125 2.134 -1.626 359 HA PHE 52 HA PHE 52 -5.552 1.135 -1.693 360 HB2 PHE 52 1HB PHE 52 -7.537 1.170 -3.473 361 HB3 PHE 52 2HB PHE 52 -6.568 2.475 -4.151 362 HD1 PHE 52 2HD PHE 52 -5.569 -0.717 -2.515 363 HD2 PHE 52 1HD PHE 52 -5.554 1.653 -6.049 364 HE1 PHE 52 2HE PHE 52 -4.119 -2.373 -3.615 365 HE2 PHE 52 1HE PHE 52 -4.105 0.001 -7.156 366 HZ PHE 52 HZ PHE 52 -3.384 -2.014 -5.938 367 H VAL 53 H VAL 53 -3.856 2.265 -0.945 368 HA VAL 53 HA VAL 53 -2.905 4.503 -2.476 369 HB VAL 53 HB VAL 53 -2.750 6.110 -0.675 370 HG11 VAL 53 1HG1 VAL 53 -5.084 6.711 -0.454 371 HG12 VAL 53 2HG1 VAL 53 -4.779 6.093 -2.078 372 HG13 VAL 53 3HG1 VAL 53 -5.574 5.072 -0.879 373 HG21 VAL 53 1HG2 VAL 53 -2.513 4.695 1.233 374 HG22 VAL 53 2HG2 VAL 53 -3.959 5.676 1.475 375 HG23 VAL 53 3HG2 VAL 53 -4.109 3.990 0.980 376 H CYS 54 H CYS 54 -0.800 5.358 -1.468 377 HA CYS 54 HA CYS 54 0.950 3.164 -1.105 378 HB2 CYS 54 1HB CYS 54 1.521 5.417 -2.119 379 HB3 CYS 54 2HB CYS 54 1.571 6.051 -0.478 380 H ALA 55 H ALA 55 2.568 3.126 0.752 381 HA ALA 55 HA ALA 55 1.067 3.311 3.274 382 HB1 ALA 55 1HB ALA 55 3.219 1.470 2.316 383 HB2 ALA 55 2HB ALA 55 2.952 1.707 4.043 384 HB3 ALA 55 3HB ALA 55 1.651 1.086 3.027 385 H ASP 56 H ASP 56 3.495 4.826 1.554 386 HA ASP 56 HA ASP 56 4.827 5.786 3.996 387 HB2 ASP 56 1HB ASP 56 6.164 4.722 2.063 388 HB3 ASP 56 2HB ASP 56 5.846 6.223 1.198 389 H CYS 57 H CYS 57 3.267 6.817 1.003 390 HA CYS 57 HA CYS 57 3.087 9.540 2.117 391 HB2 CYS 57 1HB CYS 57 2.899 10.322 -0.243 392 HB3 CYS 57 2HB CYS 57 4.448 9.571 0.124 393 H ASN 58 H ASN 58 1.384 6.781 1.163 394 HA ASN 58 HA ASN 58 -0.831 6.272 1.073 395 HB2 ASN 58 1HB ASN 58 -0.702 7.918 3.134 396 HB3 ASN 58 2HB ASN 58 -1.595 8.990 2.060 397 HD21 ASN 58 1HD2 ASN 58 -3.719 8.695 1.802 398 HD22 ASN 58 2HD2 ASN 58 -4.625 7.391 2.485 399 H LEU 59 H LEU 59 0.311 7.172 -1.263 400 HA LEU 59 HA LEU 59 -1.525 9.096 -2.453 401 HB2 LEU 59 1HB LEU 59 0.776 9.389 -3.014 402 HB3 LEU 59 2HB LEU 59 0.933 7.698 -3.486 403 HG LEU 59 HG LEU 59 -0.737 8.241 -5.342 404 HD11 LEU 59 1HD1 LEU 59 0.108 11.007 -5.444 405 HD12 LEU 59 2HD1 LEU 59 -0.871 10.668 -4.017 406 HD13 LEU 59 3HD1 LEU 59 -1.502 10.309 -5.624 407 HD21 LEU 59 1HD2 LEU 59 1.666 7.853 -5.691 408 HD22 LEU 59 2HD2 LEU 59 1.972 9.567 -5.408 409 HD23 LEU 59 3HD2 LEU 59 1.016 9.059 -6.802 410 H ASN 60 H ASN 60 -3.024 8.627 -4.002 411 HA ASN 60 HA ASN 60 -4.278 6.165 -4.028 412 HB2 ASN 60 1HB ASN 60 -4.313 8.495 -5.917 413 HB3 ASN 60 2HB ASN 60 -5.199 7.027 -6.318 414 HD21 ASN 60 1HD2 ASN 60 -6.408 6.183 -4.219 415 HD22 ASN 60 2HD2 ASN 60 -7.406 7.380 -3.473 416 H LEU 61 H LEU 61 -3.514 4.269 -4.671 417 HA LEU 61 HA LEU 61 -1.575 4.166 -6.864 418 HB2 LEU 61 1HB LEU 61 -2.403 1.982 -4.961 419 HB3 LEU 61 2HB LEU 61 -1.059 1.933 -6.100 420 HG LEU 61 HG LEU 61 -1.214 3.833 -3.765 421 HD11 LEU 61 1HD1 LEU 61 0.788 1.808 -3.499 422 HD12 LEU 61 2HD1 LEU 61 -0.793 1.055 -3.702 423 HD13 LEU 61 3HD1 LEU 61 -0.532 2.222 -2.406 424 HD21 LEU 61 1HD2 LEU 61 0.210 4.541 -5.639 425 HD22 LEU 61 2HD2 LEU 61 1.088 3.014 -5.536 426 HD23 LEU 61 3HD2 LEU 61 1.151 4.161 -4.197 427 H LYS 62 H LYS 62 -4.717 4.284 -6.804 428 HA LYS 62 HA LYS 62 -5.666 1.926 -8.002 429 HB2 LYS 62 1HB LYS 62 -7.262 3.445 -7.111 430 HB3 LYS 62 2HB LYS 62 -6.641 4.778 -8.076 431 HG2 LYS 62 1HG LYS 62 -8.467 4.296 -9.314 432 HG3 LYS 62 2HG LYS 62 -7.351 3.149 -10.057 433 HD2 LYS 62 1HD LYS 62 -9.091 1.739 -9.630 434 HD3 LYS 62 2HD LYS 62 -8.233 1.597 -8.094 435 HE2 LYS 62 1HE LYS 62 -9.803 2.791 -6.951 436 HE3 LYS 62 2HE LYS 62 -10.239 3.768 -8.352 437 HZ1 LYS 62 1HZ LYS 62 -11.965 2.448 -8.680 438 HZ2 LYS 62 2HZ LYS 62 -11.531 1.493 -7.353 439 HZ3 LYS 62 3HZ LYS 62 -10.939 1.119 -8.893 440 H GLN 63 H GLN 63 -5.219 5.053 -9.658 441 HA GLN 63 HA GLN 63 -5.045 3.761 -12.215 442 HB2 GLN 63 1HB GLN 63 -4.496 6.137 -12.983 443 HB3 GLN 63 2HB GLN 63 -6.079 5.871 -12.265 444 HG2 GLN 63 1HG GLN 63 -5.555 7.024 -10.345 445 HG3 GLN 63 2HG GLN 63 -3.821 6.776 -10.543 446 HE21 GLN 63 1HE2 GLN 63 -6.476 8.220 -12.412 447 HE22 GLN 63 2HE2 GLN 63 -5.635 9.678 -12.800 448 H LYS 64 H LYS 64 -2.787 5.284 -9.977 449 HA LYS 64 HA LYS 64 -0.533 5.151 -11.710 450 HB2 LYS 64 1HB LYS 64 -0.600 5.321 -8.691 451 HB3 LYS 64 2HB LYS 64 0.781 5.680 -9.719 452 HG2 LYS 64 1HG LYS 64 -0.430 7.551 -10.708 453 HG3 LYS 64 2HG LYS 64 -1.828 7.185 -9.694 454 HD2 LYS 64 1HD LYS 64 -0.476 7.597 -7.692 455 HD3 LYS 64 2HD LYS 64 0.918 7.967 -8.710 456 HE2 LYS 64 1HE LYS 64 -1.677 9.459 -8.961 457 HE3 LYS 64 2HE LYS 64 -0.443 9.931 -7.794 458 HZ1 LYS 64 1HZ LYS 64 -0.330 11.120 -9.956 459 HZ2 LYS 64 2HZ LYS 64 0.067 9.655 -10.703 460 HZ3 LYS 64 3HZ LYS 64 1.101 10.318 -9.540 461 H GLY 65 H GLY 65 1.081 3.641 -11.872 462 HA2 GLY 65 1HA GLY 65 0.496 0.957 -11.560 463 HA3 GLY 65 2HA GLY 65 2.124 1.601 -11.710 464 H TYR 66 H TYR 66 -0.070 0.023 -9.692 465 HA TYR 66 HA TYR 66 0.959 0.807 -7.160 466 HB2 TYR 66 1HB TYR 66 -0.371 -0.944 -6.247 467 HB3 TYR 66 2HB TYR 66 -1.287 -0.276 -7.594 468 HD1 TYR 66 1HD TYR 66 -1.638 -1.567 -9.624 469 HD2 TYR 66 2HD TYR 66 0.568 -3.182 -6.364 470 HE1 TYR 66 1HE TYR 66 -1.833 -3.811 -10.611 471 HE2 TYR 66 2HE TYR 66 0.381 -5.430 -7.343 472 HH TYR 66 HH TYR 66 -0.687 -6.673 -8.907 473 H PHE 67 H PHE 67 1.881 -0.953 -5.654 474 HA PHE 67 HA PHE 67 3.763 -2.725 -7.006 475 HB2 PHE 67 1HB PHE 67 4.501 -0.320 -5.415 476 HB3 PHE 67 2HB PHE 67 5.478 -1.768 -5.198 477 HD1 PHE 67 1HD PHE 67 4.034 0.290 -7.954 478 HD2 PHE 67 2HD PHE 67 7.310 -2.036 -6.550 479 HE1 PHE 67 1HE PHE 67 5.296 0.844 -9.992 480 HE2 PHE 67 2HE PHE 67 8.578 -1.485 -8.585 481 HZ PHE 67 HZ PHE 67 7.571 -0.043 -10.309 482 H PHE 68 H PHE 68 5.016 -4.037 -5.314 483 HA PHE 68 HA PHE 68 3.491 -4.456 -2.858 484 HB2 PHE 68 1HB PHE 68 3.699 -6.369 -5.125 485 HB3 PHE 68 2HB PHE 68 3.834 -7.033 -3.500 486 HD1 PHE 68 1HD PHE 68 1.972 -6.068 -1.829 487 HD2 PHE 68 2HD PHE 68 1.614 -6.332 -6.062 488 HE1 PHE 68 1HE PHE 68 -0.479 -6.054 -1.619 489 HE2 PHE 68 2HE PHE 68 -0.838 -6.318 -5.859 490 HZ PHE 68 HZ PHE 68 -1.888 -6.178 -3.636 491 H VAL 69 H VAL 69 5.102 -3.988 -1.469 492 HA VAL 69 HA VAL 69 7.572 -5.580 -1.691 493 HB VAL 69 HB VAL 69 7.349 -2.743 -0.674 494 HG11 VAL 69 1HG1 VAL 69 9.380 -2.937 0.233 495 HG12 VAL 69 2HG1 VAL 69 9.151 -4.682 0.098 496 HG13 VAL 69 3HG1 VAL 69 10.012 -3.803 -1.166 497 HG21 VAL 69 1HG2 VAL 69 7.200 -2.905 -3.113 498 HG22 VAL 69 2HG2 VAL 69 8.712 -2.151 -2.608 499 HG23 VAL 69 3HG2 VAL 69 8.700 -3.831 -3.144 500 H GLU 70 H GLU 70 7.820 -6.931 -0.048 501 HA GLU 70 HA GLU 70 7.574 -7.944 1.978 502 HB2 GLU 70 1HB GLU 70 7.636 -5.074 2.926 503 HB3 GLU 70 2HB GLU 70 7.847 -6.483 3.957 504 HG2 GLU 70 1HG GLU 70 9.783 -7.056 2.322 505 HG3 GLU 70 2HG GLU 70 9.689 -5.346 1.906 506 H GLY 71 H GLY 71 5.209 -7.817 0.656 507 HA2 GLY 71 1HA GLY 71 2.949 -8.041 0.985 508 HA3 GLY 71 2HA GLY 71 3.316 -8.165 2.699 509 H GLU 72 H GLU 72 4.083 -5.367 0.724 510 HA GLU 72 HA GLU 72 1.833 -3.892 1.874 511 HB2 GLU 72 1HB GLU 72 3.792 -3.591 3.380 512 HB3 GLU 72 2HB GLU 72 4.688 -2.913 2.029 513 HG2 GLU 72 1HG GLU 72 3.536 -0.951 2.062 514 HG3 GLU 72 2HG GLU 72 2.073 -1.692 2.708 515 H LEU 73 H LEU 73 1.260 -1.999 0.731 516 HA LEU 73 HA LEU 73 2.067 -2.072 -2.066 517 HB2 LEU 73 1HB LEU 73 -0.243 -1.059 -0.539 518 HB3 LEU 73 2HB LEU 73 0.211 -0.119 -1.959 519 HG LEU 73 HG LEU 73 -0.202 -3.074 -2.189 520 HD11 LEU 73 1HD1 LEU 73 -2.165 -1.535 -1.108 521 HD12 LEU 73 2HD1 LEU 73 -2.437 -2.988 -2.069 522 HD13 LEU 73 3HD1 LEU 73 -2.519 -1.399 -2.831 523 HD21 LEU 73 1HD2 LEU 73 -0.481 -2.647 -4.445 524 HD22 LEU 73 2HD2 LEU 73 0.750 -1.468 -3.991 525 HD23 LEU 73 3HD2 LEU 73 -0.930 -0.962 -4.178 526 H TYR 74 H TYR 74 2.691 -0.178 -3.225 527 HA TYR 74 HA TYR 74 3.395 2.216 -1.783 528 HB2 TYR 74 1HB TYR 74 5.511 0.317 -2.785 529 HB3 TYR 74 2HB TYR 74 5.830 2.032 -2.555 530 HD1 TYR 74 2HD TYR 74 5.502 3.012 -0.233 531 HD2 TYR 74 1HD TYR 74 5.594 -1.177 -0.974 532 HE1 TYR 74 2HE TYR 74 5.978 2.607 2.146 533 HE2 TYR 74 1HE TYR 74 6.069 -1.593 1.403 534 HH TYR 74 HH TYR 74 6.675 -0.631 3.356 535 H CYS 75 H CYS 75 4.153 3.920 -3.186 536 HA CYS 75 HA CYS 75 2.933 3.769 -5.793 537 HB2 CYS 75 1HB CYS 75 3.555 6.159 -5.958 538 HB3 CYS 75 2HB CYS 75 2.670 5.798 -4.480 539 H GLU 76 H GLU 76 4.034 4.405 -7.768 540 HA GLU 76 HA GLU 76 6.181 2.878 -8.452 541 HB2 GLU 76 1HB GLU 76 4.743 4.149 -10.037 542 HB3 GLU 76 2HB GLU 76 5.604 5.616 -9.594 543 HG2 GLU 76 1HG GLU 76 7.678 4.676 -10.449 544 HG3 GLU 76 2HG GLU 76 6.838 3.184 -10.867 545 H THR 77 H THR 77 6.243 6.102 -7.039 546 HA THR 77 HA THR 77 9.008 6.580 -7.335 547 HB THR 77 HB THR 77 7.175 7.661 -5.186 548 HG1 THR 77 1HG THR 77 7.222 8.068 -7.855 549 HG21 THR 77 1HG2 THR 77 9.327 9.354 -6.202 550 HG22 THR 77 2HG2 THR 77 9.907 7.900 -5.389 551 HG23 THR 77 3HG2 THR 77 8.840 9.019 -4.541 552 H HIS 78 H HIS 78 7.324 5.933 -4.260 553 HA HIS 78 HA HIS 78 9.600 5.242 -2.815 554 HB2 HIS 78 1HB HIS 78 6.681 4.634 -2.463 555 HB3 HIS 78 2HB HIS 78 7.871 3.943 -1.364 556 HD2 HIS 78 2HD HIS 78 9.719 6.452 -0.678 557 HE1 HIS 78 1HE HIS 78 6.112 8.533 0.135 558 HE2 HIS 78 2HE HIS 78 8.618 8.536 0.387 559 H ALA 79 H ALA 79 7.175 3.035 -4.225 560 HA ALA 79 HA ALA 79 8.261 0.615 -3.632 561 HB1 ALA 79 1HB ALA 79 6.918 -0.280 -5.245 562 HB2 ALA 79 2HB ALA 79 6.190 1.321 -5.111 563 HB3 ALA 79 3HB ALA 79 7.312 0.969 -6.425 564 H ARG 80 H ARG 80 9.044 2.486 -6.569 565 HA ARG 80 HA ARG 80 10.965 0.839 -7.646 566 HB2 ARG 80 1HB ARG 80 10.548 3.800 -7.695 567 HB3 ARG 80 2HB ARG 80 12.016 3.135 -8.398 568 HG2 ARG 80 1HG ARG 80 10.733 1.798 -9.935 569 HG3 ARG 80 2HG ARG 80 9.226 2.312 -9.172 570 HD2 ARG 80 1HD ARG 80 9.373 3.676 -11.051 571 HD3 ARG 80 2HD ARG 80 9.995 4.697 -9.754 572 HE ARG 80 HE ARG 80 11.492 3.582 -11.973 573 HH11 ARG 80 2HH1 ARG 80 11.581 5.155 -8.869 574 HH12 ARG 80 1HH1 ARG 80 13.193 5.757 -9.074 575 HH21 ARG 80 2HH2 ARG 80 13.615 4.369 -12.255 576 HH22 ARG 80 1HH2 ARG 80 14.348 5.310 -11.001 577 H ALA 81 H ALA 81 11.360 3.288 -5.122 578 HA ALA 81 HA ALA 81 14.162 3.121 -4.900 579 HB1 ALA 81 1HB ALA 81 13.598 3.944 -2.478 580 HB2 ALA 81 2HB ALA 81 13.321 4.992 -3.869 581 HB3 ALA 81 3HB ALA 81 11.973 4.119 -3.141 582 H ARG 82 H ARG 82 11.554 1.381 -3.251 583 HA ARG 82 HA ARG 82 13.282 -0.069 -1.511 584 HB2 ARG 82 1HB ARG 82 10.477 -0.796 -2.370 585 HB3 ARG 82 2HB ARG 82 11.324 -1.369 -0.939 586 HG2 ARG 82 1HG ARG 82 11.108 0.659 0.160 587 HG3 ARG 82 2HG ARG 82 10.831 1.552 -1.337 588 HD2 ARG 82 1HD ARG 82 8.734 1.443 -0.276 589 HD3 ARG 82 2HD ARG 82 8.676 0.228 -1.552 590 HE ARG 82 HE ARG 82 8.392 -1.359 0.057 591 HH11 ARG 82 2HH1 ARG 82 9.817 1.460 1.522 592 HH12 ARG 82 1HH1 ARG 82 9.736 0.825 3.132 593 HH21 ARG 82 2HH2 ARG 82 8.280 -2.206 2.172 594 HH22 ARG 82 1HH2 ARG 82 8.862 -1.261 3.500 595 H THR 83 H THR 83 11.319 -1.187 -4.276 596 HA THR 83 HA THR 83 12.873 -3.609 -4.487 597 HB THR 83 HB THR 83 10.427 -3.570 -4.950 598 HG1 THR 83 1HG THR 83 11.013 -5.287 -6.030 599 HG21 THR 83 1HG2 THR 83 10.891 -1.320 -6.369 600 HG22 THR 83 2HG2 THR 83 9.467 -2.337 -6.587 601 HG23 THR 83 3HG2 THR 83 10.848 -2.509 -7.670 602 H SER 84 H SER 84 13.945 -0.780 -5.077 603 HA SER 84 HA SER 84 14.520 -0.160 -7.604 604 HB2 SER 84 1HB SER 84 16.731 0.596 -6.909 605 HB3 SER 84 2HB SER 84 15.561 0.927 -5.632 606 HG SER 84 HG SER 84 17.797 -0.410 -5.412 607 H GLY 85 H GLY 85 16.135 -2.803 -5.853 608 HA2 GLY 85 1HA GLY 85 17.175 -3.769 -8.439 609 HA3 GLY 85 2HA GLY 85 17.884 -4.133 -6.872 610 HA PRO 86 HA PRO 86 13.852 -6.799 -7.461 611 HB2 PRO 86 1HB PRO 86 13.176 -7.221 -10.056 612 HB3 PRO 86 2HB PRO 86 12.518 -5.891 -9.096 613 HG2 PRO 86 1HG PRO 86 14.752 -5.864 -11.088 614 HG3 PRO 86 2HG PRO 86 13.436 -4.696 -10.867 615 HD2 PRO 86 1HD PRO 86 15.937 -4.269 -9.920 616 HD3 PRO 86 2HD PRO 86 14.487 -3.655 -9.099 617 H SER 87 H SER 87 13.552 -9.037 -8.447 618 HA SER 87 HA SER 87 16.171 -10.273 -8.652 619 HB2 SER 87 1HB SER 87 13.437 -11.572 -8.567 620 HB3 SER 87 2HB SER 87 14.989 -12.384 -8.359 621 HG SER 87 HG SER 87 15.205 -11.518 -6.398 622 H SER 88 H SER 88 17.097 -10.815 -10.505 623 HA SER 88 HA SER 88 16.112 -10.243 -13.014 624 HB2 SER 88 1HB SER 88 17.868 -11.827 -13.866 625 HB3 SER 88 2HB SER 88 18.466 -10.649 -12.698 626 HG SER 88 HG SER 88 19.019 -13.019 -12.461 627 H GLY 89 H GLY 89 16.357 -13.519 -11.608 628 HA2 GLY 89 1HA GLY 89 15.180 -15.069 -13.451 629 HA3 GLY 89 2HA GLY 89 14.827 -15.263 -11.740 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -32.761 -16.594 41.930 2 HA2 GLY 1 1HA GLY 1 -34.804 -14.747 40.893 3 HA3 GLY 1 2HA GLY 1 -35.049 -15.518 42.453 4 H SER 2 H SER 2 -33.372 -13.052 40.705 5 HA SER 2 HA SER 2 -32.320 -12.021 43.254 6 HB2 SER 2 1HB SER 2 -30.303 -11.287 42.195 7 HB3 SER 2 2HB SER 2 -30.529 -12.976 41.742 8 HG SER 2 HG SER 2 -30.992 -12.395 39.724 9 H SER 3 H SER 3 -31.761 -9.625 43.051 10 HA SER 3 HA SER 3 -33.836 -8.282 41.445 11 HB2 SER 3 1HB SER 3 -34.095 -6.653 43.229 12 HB3 SER 3 2HB SER 3 -34.310 -8.274 43.890 13 HG SER 3 HG SER 3 -32.475 -8.097 44.975 14 H GLY 4 H GLY 4 -33.339 -5.891 41.131 15 HA2 GLY 4 1HA GLY 4 -31.083 -5.550 39.591 16 HA3 GLY 4 2HA GLY 4 -31.959 -4.227 40.347 17 H SER 5 H SER 5 -29.079 -6.026 40.291 18 HA SER 5 HA SER 5 -28.142 -5.545 42.917 19 HB2 SER 5 1HB SER 5 -25.897 -6.050 41.956 20 HB3 SER 5 2HB SER 5 -27.112 -7.259 41.541 21 HG SER 5 HG SER 5 -25.595 -5.904 39.889 22 H SER 6 H SER 6 -27.555 -3.852 39.844 23 HA SER 6 HA SER 6 -27.092 -1.387 41.337 24 HB2 SER 6 1HB SER 6 -24.849 -2.323 41.058 25 HB3 SER 6 2HB SER 6 -25.119 -2.495 39.323 26 HG SER 6 HG SER 6 -23.938 -0.568 40.012 27 H GLY 7 H GLY 7 -28.691 -0.181 40.519 28 HA2 GLY 7 1HA GLY 7 -28.703 0.262 37.619 29 HA3 GLY 7 2HA GLY 7 -30.207 -0.213 38.394 30 H VAL 8 H VAL 8 -28.282 2.369 37.466 31 HA VAL 8 HA VAL 8 -29.995 4.220 38.967 32 HB VAL 8 HB VAL 8 -28.111 5.726 39.387 33 HG11 VAL 8 1HG1 VAL 8 -27.778 4.750 41.363 34 HG12 VAL 8 2HG1 VAL 8 -28.714 3.388 40.744 35 HG13 VAL 8 3HG1 VAL 8 -26.953 3.376 40.628 36 HG21 VAL 8 1HG2 VAL 8 -26.381 3.489 38.336 37 HG22 VAL 8 2HG2 VAL 8 -26.693 5.015 37.510 38 HG23 VAL 8 3HG2 VAL 8 -25.814 5.004 39.039 39 H ARG 9 H ARG 9 -29.573 6.551 38.077 40 HA ARG 9 HA ARG 9 -30.251 6.493 35.314 41 HB2 ARG 9 1HB ARG 9 -30.914 8.194 37.190 42 HB3 ARG 9 2HB ARG 9 -29.422 9.001 36.725 43 HG2 ARG 9 1HG ARG 9 -30.221 9.587 34.654 44 HG3 ARG 9 2HG ARG 9 -31.397 8.271 34.618 45 HD2 ARG 9 1HD ARG 9 -32.552 10.369 34.897 46 HD3 ARG 9 2HD ARG 9 -32.687 9.425 36.380 47 HE ARG 9 HE ARG 9 -30.499 11.031 36.753 48 HH11 ARG 9 2HH1 ARG 9 -33.866 11.532 36.022 49 HH12 ARG 9 1HH1 ARG 9 -33.944 13.070 36.816 50 HH21 ARG 9 2HH2 ARG 9 -30.589 13.055 37.802 51 HH22 ARG 9 1HH2 ARG 9 -32.080 13.936 37.827 52 H ALA 10 H ALA 10 -29.064 6.971 33.531 53 HA ALA 10 HA ALA 10 -26.408 8.089 33.751 54 HB1 ALA 10 1HB ALA 10 -25.249 6.223 32.723 55 HB2 ALA 10 2HB ALA 10 -26.011 5.712 34.230 56 HB3 ALA 10 3HB ALA 10 -26.745 5.289 32.683 57 HA PRO 11 HA PRO 11 -27.697 9.678 29.838 58 HB2 PRO 11 1HB PRO 11 -25.307 10.684 29.035 59 HB3 PRO 11 2HB PRO 11 -26.302 11.450 30.279 60 HG2 PRO 11 1HG PRO 11 -23.920 9.664 30.592 61 HG3 PRO 11 2HG PRO 11 -24.325 11.152 31.467 62 HD2 PRO 11 1HD PRO 11 -24.749 8.689 32.508 63 HD3 PRO 11 2HD PRO 11 -25.799 10.074 32.873 64 H VAL 12 H VAL 12 -27.635 9.139 27.673 65 HA VAL 12 HA VAL 12 -26.040 6.759 27.012 66 HB VAL 12 HB VAL 12 -28.475 6.488 26.811 67 HG11 VAL 12 1HG1 VAL 12 -29.598 7.689 24.886 68 HG12 VAL 12 2HG1 VAL 12 -29.241 8.667 26.311 69 HG13 VAL 12 3HG1 VAL 12 -28.213 8.781 24.882 70 HG21 VAL 12 1HG2 VAL 12 -26.929 5.243 25.339 71 HG22 VAL 12 2HG2 VAL 12 -28.503 5.523 24.595 72 HG23 VAL 12 3HG2 VAL 12 -27.116 6.501 24.118 73 H THR 13 H THR 13 -24.694 6.716 25.275 74 HA THR 13 HA THR 13 -24.377 9.242 23.787 75 HB THR 13 HB THR 13 -21.995 8.674 23.518 76 HG1 THR 13 1HG THR 13 -21.141 6.903 24.598 77 HG21 THR 13 1HG2 THR 13 -23.121 9.837 25.643 78 HG22 THR 13 2HG2 THR 13 -21.382 9.571 25.521 79 HG23 THR 13 3HG2 THR 13 -22.382 8.455 26.451 80 H LYS 14 H LYS 14 -23.597 9.058 21.588 81 HA LYS 14 HA LYS 14 -24.959 7.016 20.138 82 HB2 LYS 14 1HB LYS 14 -24.755 9.267 19.233 83 HB3 LYS 14 2HB LYS 14 -23.002 9.127 19.216 84 HG2 LYS 14 1HG LYS 14 -23.754 8.805 16.995 85 HG3 LYS 14 2HG LYS 14 -23.259 7.225 17.607 86 HD2 LYS 14 1HD LYS 14 -25.629 6.726 18.117 87 HD3 LYS 14 2HD LYS 14 -26.083 8.273 17.398 88 HE2 LYS 14 1HE LYS 14 -26.421 6.754 15.669 89 HE3 LYS 14 2HE LYS 14 -24.830 7.425 15.314 90 HZ1 LYS 14 1HZ LYS 14 -24.032 5.376 15.340 91 HZ2 LYS 14 2HZ LYS 14 -25.539 4.742 15.772 92 HZ3 LYS 14 3HZ LYS 14 -24.449 5.225 16.973 93 H VAL 15 H VAL 15 -24.193 4.988 20.290 94 HA VAL 15 HA VAL 15 -21.342 4.564 19.667 95 HB VAL 15 HB VAL 15 -21.456 2.484 21.001 96 HG11 VAL 15 1HG1 VAL 15 -20.949 3.530 22.968 97 HG12 VAL 15 2HG1 VAL 15 -20.904 4.915 21.876 98 HG13 VAL 15 3HG1 VAL 15 -22.330 4.623 22.873 99 HG21 VAL 15 1HG2 VAL 15 -23.384 1.641 21.713 100 HG22 VAL 15 2HG2 VAL 15 -23.751 3.124 22.593 101 HG23 VAL 15 3HG2 VAL 15 -24.225 2.963 20.903 102 H HIS 16 H HIS 16 -20.915 3.353 17.937 103 HA HIS 16 HA HIS 16 -22.706 1.264 17.066 104 HB2 HIS 16 1HB HIS 16 -23.303 2.137 14.964 105 HB3 HIS 16 2HB HIS 16 -23.563 3.475 16.081 106 HD1 HIS 16 1HD HIS 16 -22.723 3.381 12.872 107 HD2 HIS 16 2HD HIS 16 -20.490 4.640 16.142 108 HE1 HIS 16 1HE HIS 16 -20.989 4.945 11.940 109 HE2 HIS 16 2HE HIS 16 -19.596 5.628 13.924 110 H GLY 17 H GLY 17 -21.736 -0.210 15.660 111 HA2 GLY 17 1HA GLY 17 -18.945 0.341 14.905 112 HA3 GLY 17 2HA GLY 17 -19.326 -1.112 15.817 113 H GLY 18 H GLY 18 -19.315 -2.850 14.566 114 HA2 GLY 18 1HA GLY 18 -19.911 -2.578 11.719 115 HA3 GLY 18 2HA GLY 18 -19.199 -3.981 12.503 116 H ALA 19 H ALA 19 -22.238 -2.123 12.736 117 HA ALA 19 HA ALA 19 -23.691 -4.634 13.100 118 HB1 ALA 19 1HB ALA 19 -25.521 -3.326 13.875 119 HB2 ALA 19 2HB ALA 19 -24.062 -2.681 14.629 120 HB3 ALA 19 3HB ALA 19 -24.796 -1.838 13.265 121 H GLY 20 H GLY 20 -22.554 -3.449 10.495 122 HA2 GLY 20 1HA GLY 20 -24.899 -2.910 8.905 123 HA3 GLY 20 2HA GLY 20 -23.251 -3.071 8.317 124 H SER 21 H SER 21 -24.378 -4.239 6.558 125 HA SER 21 HA SER 21 -24.508 -7.092 7.213 126 HB2 SER 21 1HB SER 21 -26.837 -6.007 7.063 127 HB3 SER 21 2HB SER 21 -26.518 -5.860 5.335 128 HG SER 21 HG SER 21 -27.608 -7.863 6.269 129 H ALA 22 H ALA 22 -22.829 -7.868 6.107 130 HA ALA 22 HA ALA 22 -22.799 -7.588 3.224 131 HB1 ALA 22 1HB ALA 22 -20.391 -6.745 4.832 132 HB2 ALA 22 2HB ALA 22 -20.516 -6.800 3.073 133 HB3 ALA 22 3HB ALA 22 -21.487 -5.649 3.991 134 H GLN 23 H GLN 23 -22.713 -9.644 2.610 135 HA GLN 23 HA GLN 23 -20.738 -11.404 3.900 136 HB2 GLN 23 1HB GLN 23 -23.260 -11.802 4.435 137 HB3 GLN 23 2HB GLN 23 -23.317 -12.485 2.815 138 HG2 GLN 23 1HG GLN 23 -22.018 -14.281 3.373 139 HG3 GLN 23 2HG GLN 23 -21.208 -13.427 4.686 140 HE21 GLN 23 1HE2 GLN 23 -24.202 -14.981 3.716 141 HE22 GLN 23 2HE2 GLN 23 -24.749 -15.347 5.313 142 H ARG 24 H ARG 24 -19.929 -13.131 2.556 143 HA ARG 24 HA ARG 24 -19.012 -13.951 0.643 144 HB2 ARG 24 1HB ARG 24 -21.592 -12.863 -0.484 145 HB3 ARG 24 2HB ARG 24 -20.430 -13.767 -1.448 146 HG2 ARG 24 1HG ARG 24 -21.804 -15.467 -0.853 147 HG3 ARG 24 2HG ARG 24 -20.707 -15.507 0.529 148 HD2 ARG 24 1HD ARG 24 -22.698 -15.497 1.638 149 HD3 ARG 24 2HD ARG 24 -22.443 -13.759 1.493 150 HE ARG 24 HE ARG 24 -24.180 -13.648 -0.028 151 HH11 ARG 24 2HH1 ARG 24 -23.419 -16.965 0.707 152 HH12 ARG 24 1HH1 ARG 24 -24.847 -17.595 -0.044 153 HH21 ARG 24 2HH2 ARG 24 -26.065 -14.466 -1.019 154 HH22 ARG 24 1HH2 ARG 24 -26.351 -16.173 -1.026 155 H MET 25 H MET 25 -18.087 -11.469 1.501 156 HA MET 25 HA MET 25 -17.199 -10.347 -1.047 157 HB2 MET 25 1HB MET 25 -17.657 -8.104 -0.471 158 HB3 MET 25 2HB MET 25 -19.130 -8.987 -0.097 159 HG2 MET 25 1HG MET 25 -17.031 -8.118 1.876 160 HG3 MET 25 2HG MET 25 -18.613 -7.380 1.639 161 HE1 MET 25 1HE MET 25 -17.965 -9.854 5.001 162 HE2 MET 25 2HE MET 25 -16.649 -9.754 3.831 163 HE3 MET 25 3HE MET 25 -17.446 -8.282 4.391 164 HA PRO 26 HA PRO 26 -13.243 -10.342 0.858 165 HB2 PRO 26 1HB PRO 26 -12.050 -8.277 -0.440 166 HB3 PRO 26 2HB PRO 26 -12.385 -9.832 -1.211 167 HG2 PRO 26 1HG PRO 26 -13.927 -7.271 -1.364 168 HG3 PRO 26 2HG PRO 26 -13.516 -8.409 -2.661 169 HD2 PRO 26 1HD PRO 26 -15.955 -8.357 -1.487 170 HD3 PRO 26 2HD PRO 26 -15.225 -9.852 -2.108 171 H LEU 27 H LEU 27 -12.093 -9.388 2.503 172 HA LEU 27 HA LEU 27 -13.343 -7.043 3.732 173 HB2 LEU 27 1HB LEU 27 -12.679 -9.394 4.836 174 HB3 LEU 27 2HB LEU 27 -11.183 -8.509 5.122 175 HG LEU 27 HG LEU 27 -12.623 -8.397 7.067 176 HD11 LEU 27 1HD1 LEU 27 -11.357 -6.294 5.895 177 HD12 LEU 27 2HD1 LEU 27 -12.082 -6.268 7.502 178 HD13 LEU 27 3HD1 LEU 27 -12.984 -5.649 6.119 179 HD21 LEU 27 1HD2 LEU 27 -14.727 -6.781 6.501 180 HD22 LEU 27 2HD2 LEU 27 -14.819 -8.538 6.619 181 HD23 LEU 27 3HD2 LEU 27 -14.652 -7.768 5.041 182 H CYS 28 H CYS 28 -12.441 -5.118 3.484 183 HA CYS 28 HA CYS 28 -10.107 -4.579 2.110 184 HB2 CYS 28 1HB CYS 28 -11.926 -2.941 2.668 185 HB3 CYS 28 2HB CYS 28 -11.265 -2.844 4.297 186 H ASP 29 H ASP 29 -8.043 -4.915 2.563 187 HA ASP 29 HA ASP 29 -7.211 -5.695 5.204 188 HB2 ASP 29 1HB ASP 29 -6.326 -6.617 2.981 189 HB3 ASP 29 2HB ASP 29 -5.382 -5.134 2.876 190 H LYS 30 H LYS 30 -7.893 -2.774 4.008 191 HA LYS 30 HA LYS 30 -5.605 -1.387 5.201 192 HB2 LYS 30 1HB LYS 30 -6.305 -0.659 2.967 193 HB3 LYS 30 2HB LYS 30 -7.920 -0.319 3.575 194 HG2 LYS 30 1HG LYS 30 -7.133 1.775 3.739 195 HG3 LYS 30 2HG LYS 30 -6.452 1.188 5.258 196 HD2 LYS 30 1HD LYS 30 -4.374 0.588 3.985 197 HD3 LYS 30 2HD LYS 30 -5.066 1.422 2.591 198 HE2 LYS 30 1HE LYS 30 -4.650 2.714 5.281 199 HE3 LYS 30 2HE LYS 30 -3.475 2.788 3.969 200 HZ1 LYS 30 1HZ LYS 30 -6.265 3.799 3.850 201 HZ2 LYS 30 2HZ LYS 30 -5.140 3.867 2.589 202 HZ3 LYS 30 3HZ LYS 30 -4.875 4.751 4.007 203 H CYS 31 H CYS 31 -9.168 -1.219 5.277 204 HA CYS 31 HA CYS 31 -8.963 -0.138 8.010 205 HB2 CYS 31 1HB CYS 31 -11.105 0.936 7.656 206 HB3 CYS 31 2HB CYS 31 -10.013 1.381 6.348 207 H GLY 32 H GLY 32 -9.214 -2.987 6.748 208 HA2 GLY 32 1HA GLY 32 -10.411 -4.930 7.145 209 HA3 GLY 32 2HA GLY 32 -10.264 -4.377 8.807 210 H SER 33 H SER 33 -12.184 -3.128 6.087 211 HA SER 33 HA SER 33 -14.601 -3.616 7.701 212 HB2 SER 33 1HB SER 33 -13.699 -1.149 7.299 213 HB3 SER 33 2HB SER 33 -14.537 -1.347 5.761 214 HG SER 33 HG SER 33 -15.553 -1.041 8.295 215 H GLY 34 H GLY 34 -16.191 -4.716 6.732 216 HA2 GLY 34 1HA GLY 34 -15.975 -6.220 4.506 217 HA3 GLY 34 2HA GLY 34 -17.520 -5.573 5.039 218 H ILE 35 H ILE 35 -16.259 -6.076 2.328 219 HA ILE 35 HA ILE 35 -16.538 -3.351 1.244 220 HB ILE 35 HB ILE 35 -15.182 -5.734 -0.024 221 HG12 ILE 35 1HG1 ILE 35 -13.828 -3.216 0.908 222 HG13 ILE 35 2HG1 ILE 35 -14.095 -4.558 2.015 223 HG21 ILE 35 1HG2 ILE 35 -14.968 -4.563 -1.923 224 HG22 ILE 35 2HG2 ILE 35 -16.313 -3.610 -1.300 225 HG23 ILE 35 3HG2 ILE 35 -14.656 -3.051 -1.071 226 HD11 ILE 35 1HD1 ILE 35 -12.411 -4.498 -0.465 227 HD12 ILE 35 2HD1 ILE 35 -11.916 -4.823 1.197 228 HD13 ILE 35 3HD1 ILE 35 -12.891 -6.002 0.321 229 H VAL 36 H VAL 36 -18.215 -2.909 -0.034 230 HA VAL 36 HA VAL 36 -19.476 -4.939 -1.650 231 HB VAL 36 HB VAL 36 -20.680 -5.415 0.350 232 HG11 VAL 36 1HG1 VAL 36 -20.341 -3.681 1.827 233 HG12 VAL 36 2HG1 VAL 36 -20.768 -2.445 0.642 234 HG13 VAL 36 3HG1 VAL 36 -22.029 -3.432 1.382 235 HG21 VAL 36 1HG2 VAL 36 -22.308 -5.568 -1.214 236 HG22 VAL 36 2HG2 VAL 36 -22.982 -4.207 -0.317 237 HG23 VAL 36 3HG2 VAL 36 -22.061 -3.921 -1.793 238 H GLY 37 H GLY 37 -19.968 -4.010 -3.522 239 HA2 GLY 37 1HA GLY 37 -21.326 -2.339 -4.679 240 HA3 GLY 37 2HA GLY 37 -20.756 -1.164 -3.503 241 H ALA 38 H ALA 38 -18.081 -1.533 -3.452 242 HA ALA 38 HA ALA 38 -17.031 -1.605 -6.148 243 HB1 ALA 38 1HB ALA 38 -17.927 0.833 -5.207 244 HB2 ALA 38 2HB ALA 38 -16.189 0.881 -4.911 245 HB3 ALA 38 3HB ALA 38 -16.798 0.576 -6.538 246 H VAL 39 H VAL 39 -15.077 -2.498 -6.096 247 HA VAL 39 HA VAL 39 -13.363 -2.078 -3.753 248 HB VAL 39 HB VAL 39 -14.715 -4.351 -3.820 249 HG11 VAL 39 1HG1 VAL 39 -12.270 -5.300 -5.235 250 HG12 VAL 39 2HG1 VAL 39 -13.855 -6.062 -5.085 251 HG13 VAL 39 3HG1 VAL 39 -13.630 -4.701 -6.184 252 HG21 VAL 39 1HG2 VAL 39 -13.059 -3.676 -2.132 253 HG22 VAL 39 2HG2 VAL 39 -12.936 -5.388 -2.534 254 HG23 VAL 39 3HG2 VAL 39 -11.766 -4.242 -3.190 255 H VAL 40 H VAL 40 -11.100 -2.676 -4.146 256 HA VAL 40 HA VAL 40 -10.368 -2.681 -6.995 257 HB VAL 40 HB VAL 40 -9.157 -0.910 -4.867 258 HG11 VAL 40 1HG1 VAL 40 -7.508 -0.251 -6.371 259 HG12 VAL 40 2HG1 VAL 40 -7.593 -1.998 -6.603 260 HG13 VAL 40 3HG1 VAL 40 -8.371 -0.915 -7.758 261 HG21 VAL 40 1HG2 VAL 40 -9.844 0.829 -6.681 262 HG22 VAL 40 2HG2 VAL 40 -10.965 -0.431 -7.198 263 HG23 VAL 40 3HG2 VAL 40 -11.055 0.210 -5.558 264 H LYS 41 H LYS 41 -9.556 -4.698 -7.148 265 HA LYS 41 HA LYS 41 -7.584 -5.564 -5.148 266 HB2 LYS 41 1HB LYS 41 -9.060 -7.310 -5.213 267 HB3 LYS 41 2HB LYS 41 -9.534 -6.989 -6.876 268 HG2 LYS 41 1HG LYS 41 -7.166 -7.827 -7.471 269 HG3 LYS 41 2HG LYS 41 -7.181 -8.520 -5.847 270 HD2 LYS 41 1HD LYS 41 -9.266 -9.711 -6.401 271 HD3 LYS 41 2HD LYS 41 -9.191 -9.052 -8.036 272 HE2 LYS 41 1HE LYS 41 -6.873 -10.579 -6.923 273 HE3 LYS 41 2HE LYS 41 -8.274 -11.441 -7.555 274 HZ1 LYS 41 1HZ LYS 41 -7.956 -10.495 -9.679 275 HZ2 LYS 41 2HZ LYS 41 -6.433 -11.034 -9.179 276 HZ3 LYS 41 3HZ LYS 41 -6.811 -9.386 -9.111 277 H ALA 42 H ALA 42 -5.502 -5.620 -5.676 278 HA ALA 42 HA ALA 42 -4.672 -4.950 -8.355 279 HB1 ALA 42 1HB ALA 42 -3.351 -3.902 -6.773 280 HB2 ALA 42 2HB ALA 42 -3.264 -5.333 -5.745 281 HB3 ALA 42 3HB ALA 42 -2.347 -5.272 -7.250 282 H ARG 43 H ARG 43 -3.168 -7.407 -6.299 283 HA ARG 43 HA ARG 43 -3.052 -9.184 -8.627 284 HB2 ARG 43 1HB ARG 43 -1.035 -8.449 -7.064 285 HB3 ARG 43 2HB ARG 43 -1.610 -9.796 -6.090 286 HG2 ARG 43 1HG ARG 43 -1.210 -11.348 -7.823 287 HG3 ARG 43 2HG ARG 43 -0.973 -10.065 -9.012 288 HD2 ARG 43 1HD ARG 43 0.983 -9.328 -7.515 289 HD3 ARG 43 2HD ARG 43 0.836 -10.923 -6.778 290 HE ARG 43 HE ARG 43 1.611 -11.888 -8.747 291 HH11 ARG 43 2HH1 ARG 43 1.217 -8.447 -9.100 292 HH12 ARG 43 1HH1 ARG 43 2.124 -8.363 -10.574 293 HH21 ARG 43 2HH2 ARG 43 2.806 -11.791 -10.688 294 HH22 ARG 43 1HH2 ARG 43 3.026 -10.266 -11.477 295 H ASP 44 H ASP 44 -3.077 -9.947 -5.163 296 HA ASP 44 HA ASP 44 -5.341 -11.766 -5.670 297 HB2 ASP 44 1HB ASP 44 -3.194 -12.171 -3.584 298 HB3 ASP 44 2HB ASP 44 -4.432 -13.319 -4.087 299 H LYS 45 H LYS 45 -4.007 -9.268 -3.700 300 HA LYS 45 HA LYS 45 -5.965 -9.582 -1.586 301 HB2 LYS 45 1HB LYS 45 -3.643 -7.771 -2.091 302 HB3 LYS 45 2HB LYS 45 -4.880 -7.256 -0.951 303 HG2 LYS 45 1HG LYS 45 -4.473 -9.701 0.000 304 HG3 LYS 45 2HG LYS 45 -2.894 -9.442 -0.743 305 HD2 LYS 45 1HD LYS 45 -4.184 -7.495 1.161 306 HD3 LYS 45 2HD LYS 45 -3.061 -8.759 1.667 307 HE2 LYS 45 1HE LYS 45 -1.462 -7.765 -0.071 308 HE3 LYS 45 2HE LYS 45 -2.543 -6.372 -0.080 309 HZ1 LYS 45 1HZ LYS 45 -0.857 -5.900 1.471 310 HZ2 LYS 45 2HZ LYS 45 -0.961 -7.426 2.191 311 HZ3 LYS 45 3HZ LYS 45 -2.214 -6.308 2.396 312 H TYR 46 H TYR 46 -7.265 -7.640 -0.920 313 HA TYR 46 HA TYR 46 -8.228 -6.144 -3.267 314 HB2 TYR 46 1HB TYR 46 -9.957 -7.324 -1.083 315 HB3 TYR 46 2HB TYR 46 -10.523 -6.379 -2.455 316 HD1 TYR 46 1HD TYR 46 -8.396 -9.404 -1.868 317 HD2 TYR 46 2HD TYR 46 -11.467 -7.577 -4.176 318 HE1 TYR 46 1HE TYR 46 -8.625 -11.468 -3.186 319 HE2 TYR 46 2HE TYR 46 -11.706 -9.636 -5.500 320 HH TYR 46 HH TYR 46 -10.691 -12.520 -4.614 321 H ARG 47 H ARG 47 -8.980 -4.051 -2.890 322 HA ARG 47 HA ARG 47 -8.832 -2.982 -0.184 323 HB2 ARG 47 1HB ARG 47 -7.186 -1.865 -2.461 324 HB3 ARG 47 2HB ARG 47 -7.351 -1.138 -0.869 325 HG2 ARG 47 1HG ARG 47 -6.392 -3.939 -1.005 326 HG3 ARG 47 2HG ARG 47 -5.290 -2.662 -1.523 327 HD2 ARG 47 1HD ARG 47 -5.654 -1.520 0.635 328 HD3 ARG 47 2HD ARG 47 -6.679 -2.860 1.147 329 HE ARG 47 HE ARG 47 -4.786 -4.204 1.367 330 HH11 ARG 47 2HH1 ARG 47 -3.978 -1.049 0.138 331 HH12 ARG 47 1HH1 ARG 47 -2.280 -1.223 0.439 332 HH21 ARG 47 2HH2 ARG 47 -2.554 -4.445 1.769 333 HH22 ARG 47 1HH2 ARG 47 -1.472 -3.155 1.367 334 H HIS 48 H HIS 48 -10.086 -1.169 0.142 335 HA HIS 48 HA HIS 48 -12.312 -0.784 -1.475 336 HB2 HIS 48 1HB HIS 48 -11.070 0.719 0.776 337 HB3 HIS 48 2HB HIS 48 -12.303 1.544 -0.173 338 HD2 HIS 48 2HD HIS 48 -14.429 -0.915 -0.508 339 HE1 HIS 48 1HE HIS 48 -14.307 -1.059 3.730 340 HE2 HIS 48 2HE HIS 48 -15.532 -1.799 1.658 341 HA PRO 49 HA PRO 49 -11.189 1.961 -4.705 342 HB2 PRO 49 1HB PRO 49 -13.280 3.690 -4.792 343 HB3 PRO 49 2HB PRO 49 -13.402 2.009 -5.323 344 HG2 PRO 49 1HG PRO 49 -14.235 3.240 -2.724 345 HG3 PRO 49 2HG PRO 49 -15.092 2.053 -3.726 346 HD2 PRO 49 1HD PRO 49 -13.691 1.355 -1.516 347 HD3 PRO 49 2HD PRO 49 -13.839 0.290 -2.929 348 H GLU 50 H GLU 50 -11.512 3.125 -1.523 349 HA GLU 50 HA GLU 50 -10.228 5.669 -2.276 350 HB2 GLU 50 1HB GLU 50 -11.233 6.726 -0.391 351 HB3 GLU 50 2HB GLU 50 -12.509 5.859 -1.233 352 HG2 GLU 50 1HG GLU 50 -12.128 3.980 0.423 353 HG3 GLU 50 2HG GLU 50 -11.150 5.125 1.338 354 H CYS 51 H CYS 51 -10.119 2.828 -0.288 355 HA CYS 51 HA CYS 51 -8.074 3.718 1.488 356 HB2 CYS 51 1HB CYS 51 -9.099 0.972 0.763 357 HB3 CYS 51 2HB CYS 51 -7.831 1.235 1.955 358 H PHE 52 H PHE 52 -8.119 2.138 -1.636 359 HA PHE 52 HA PHE 52 -5.550 1.139 -1.793 360 HB2 PHE 52 1HB PHE 52 -7.582 1.237 -3.524 361 HB3 PHE 52 2HB PHE 52 -6.613 2.547 -4.191 362 HD1 PHE 52 2HD PHE 52 -5.688 -0.736 -2.685 363 HD2 PHE 52 1HD PHE 52 -5.579 1.800 -6.101 364 HE1 PHE 52 2HE PHE 52 -4.282 -2.380 -3.856 365 HE2 PHE 52 1HE PHE 52 -4.174 0.159 -7.279 366 HZ PHE 52 HZ PHE 52 -3.523 -1.934 -6.156 367 H VAL 53 H VAL 53 -3.852 2.262 -1.024 368 HA VAL 53 HA VAL 53 -2.913 4.522 -2.528 369 HB VAL 53 HB VAL 53 -2.734 6.096 -0.692 370 HG11 VAL 53 1HG1 VAL 53 -5.574 5.104 -0.897 371 HG12 VAL 53 2HG1 VAL 53 -5.045 6.740 -0.497 372 HG13 VAL 53 3HG1 VAL 53 -4.766 6.092 -2.114 373 HG21 VAL 53 1HG2 VAL 53 -4.001 3.885 0.895 374 HG22 VAL 53 2HG2 VAL 53 -2.517 4.777 1.233 375 HG23 VAL 53 3HG2 VAL 53 -4.083 5.567 1.418 376 H CYS 54 H CYS 54 -0.824 5.401 -1.411 377 HA CYS 54 HA CYS 54 0.932 3.178 -1.115 378 HB2 CYS 54 1HB CYS 54 1.520 5.409 -2.148 379 HB3 CYS 54 2HB CYS 54 1.556 6.073 -0.518 380 H ALA 55 H ALA 55 2.565 3.146 0.731 381 HA ALA 55 HA ALA 55 1.077 3.317 3.260 382 HB1 ALA 55 1HB ALA 55 2.006 1.098 2.419 383 HB2 ALA 55 2HB ALA 55 3.597 1.742 2.827 384 HB3 ALA 55 3HB ALA 55 2.376 1.546 4.085 385 H ASP 56 H ASP 56 3.473 4.879 1.531 386 HA ASP 56 HA ASP 56 4.770 5.887 3.974 387 HB2 ASP 56 1HB ASP 56 6.107 4.816 2.002 388 HB3 ASP 56 2HB ASP 56 5.843 6.369 1.214 389 H CYS 57 H CYS 57 3.255 6.855 0.934 390 HA CYS 57 HA CYS 57 3.018 9.591 2.004 391 HB2 CYS 57 1HB CYS 57 2.838 10.330 -0.368 392 HB3 CYS 57 2HB CYS 57 4.391 9.593 0.014 393 H ASN 58 H ASN 58 1.353 6.792 1.141 394 HA ASN 58 HA ASN 58 -0.852 6.253 1.005 395 HB2 ASN 58 1HB ASN 58 -0.772 7.821 3.094 396 HB3 ASN 58 2HB ASN 58 -1.593 8.970 2.042 397 HD21 ASN 58 1HD2 ASN 58 -3.703 8.648 1.502 398 HD22 ASN 58 2HD2 ASN 58 -4.684 7.404 2.192 399 H LEU 59 H LEU 59 0.278 7.197 -1.324 400 HA LEU 59 HA LEU 59 -1.580 9.107 -2.496 401 HB2 LEU 59 1HB LEU 59 0.744 9.384 -3.042 402 HB3 LEU 59 2HB LEU 59 0.857 7.712 -3.587 403 HG LEU 59 HG LEU 59 -0.748 8.307 -5.428 404 HD11 LEU 59 1HD1 LEU 59 -0.059 11.165 -4.887 405 HD12 LEU 59 2HD1 LEU 59 -1.468 10.429 -4.124 406 HD13 LEU 59 3HD1 LEU 59 -1.349 10.491 -5.882 407 HD21 LEU 59 1HD2 LEU 59 1.683 10.039 -5.614 408 HD22 LEU 59 2HD2 LEU 59 0.950 8.999 -6.836 409 HD23 LEU 59 3HD2 LEU 59 1.848 8.287 -5.494 410 H ASN 60 H ASN 60 -3.106 8.635 -4.008 411 HA ASN 60 HA ASN 60 -4.304 6.136 -4.056 412 HB2 ASN 60 1HB ASN 60 -4.486 8.556 -5.805 413 HB3 ASN 60 2HB ASN 60 -5.287 7.074 -6.318 414 HD21 ASN 60 1HD2 ASN 60 -6.659 6.036 -4.590 415 HD22 ASN 60 2HD2 ASN 60 -7.635 7.098 -3.638 416 H LEU 61 H LEU 61 -3.503 4.287 -4.788 417 HA LEU 61 HA LEU 61 -1.638 4.315 -7.045 418 HB2 LEU 61 1HB LEU 61 -2.357 2.002 -5.258 419 HB3 LEU 61 2HB LEU 61 -0.999 2.108 -6.376 420 HG LEU 61 HG LEU 61 -1.303 3.799 -3.896 421 HD11 LEU 61 1HD1 LEU 61 0.658 1.564 -4.211 422 HD12 LEU 61 2HD1 LEU 61 -0.979 1.243 -3.638 423 HD13 LEU 61 3HD1 LEU 61 0.070 2.341 -2.740 424 HD21 LEU 61 1HD2 LEU 61 0.096 4.984 -5.312 425 HD22 LEU 61 2HD2 LEU 61 0.794 3.524 -6.014 426 HD23 LEU 61 3HD2 LEU 61 1.232 4.012 -4.376 427 H LYS 62 H LYS 62 -4.800 4.303 -6.833 428 HA LYS 62 HA LYS 62 -5.784 2.012 -8.050 429 HB2 LYS 62 1HB LYS 62 -7.300 3.651 -7.172 430 HB3 LYS 62 2HB LYS 62 -6.687 4.885 -8.265 431 HG2 LYS 62 1HG LYS 62 -8.545 4.349 -9.421 432 HG3 LYS 62 2HG LYS 62 -7.499 3.083 -10.067 433 HD2 LYS 62 1HD LYS 62 -9.385 1.891 -9.457 434 HD3 LYS 62 2HD LYS 62 -8.357 1.705 -8.035 435 HE2 LYS 62 1HE LYS 62 -10.281 3.984 -8.182 436 HE3 LYS 62 2HE LYS 62 -10.871 2.374 -7.773 437 HZ1 LYS 62 1HZ LYS 62 -9.006 2.395 -6.046 438 HZ2 LYS 62 2HZ LYS 62 -10.381 3.328 -5.733 439 HZ3 LYS 62 3HZ LYS 62 -8.966 4.070 -6.288 440 H GLN 63 H GLN 63 -5.177 5.084 -9.762 441 HA GLN 63 HA GLN 63 -5.035 3.702 -12.289 442 HB2 GLN 63 1HB GLN 63 -4.420 6.095 -13.080 443 HB3 GLN 63 2HB GLN 63 -6.054 5.778 -12.512 444 HG2 GLN 63 1HG GLN 63 -5.781 7.000 -10.603 445 HG3 GLN 63 2HG GLN 63 -4.039 6.737 -10.552 446 HE21 GLN 63 1HE2 GLN 63 -2.738 7.883 -12.136 447 HE22 GLN 63 2HE2 GLN 63 -3.253 9.440 -12.679 448 H LYS 64 H LYS 64 -2.801 5.322 -10.094 449 HA LYS 64 HA LYS 64 -0.533 5.150 -11.795 450 HB2 LYS 64 1HB LYS 64 -0.623 5.372 -8.781 451 HB3 LYS 64 2HB LYS 64 0.762 5.723 -9.805 452 HG2 LYS 64 1HG LYS 64 -0.451 7.570 -10.832 453 HG3 LYS 64 2HG LYS 64 -1.857 7.210 -9.827 454 HD2 LYS 64 1HD LYS 64 -0.337 7.547 -7.826 455 HD3 LYS 64 2HD LYS 64 0.846 8.209 -8.956 456 HE2 LYS 64 1HE LYS 64 -1.933 9.275 -9.012 457 HE3 LYS 64 2HE LYS 64 -0.873 9.761 -7.690 458 HZ1 LYS 64 1HZ LYS 64 0.186 11.153 -9.027 459 HZ2 LYS 64 2HZ LYS 64 -0.964 10.836 -10.225 460 HZ3 LYS 64 3HZ LYS 64 0.475 9.947 -10.177 461 H GLY 65 H GLY 65 1.116 3.658 -11.882 462 HA2 GLY 65 1HA GLY 65 0.543 0.973 -11.561 463 HA3 GLY 65 2HA GLY 65 2.170 1.629 -11.662 464 H TYR 66 H TYR 66 0.071 -0.109 -9.771 465 HA TYR 66 HA TYR 66 0.992 0.755 -7.188 466 HB2 TYR 66 1HB TYR 66 -0.411 -0.928 -6.287 467 HB3 TYR 66 2HB TYR 66 -1.269 -0.304 -7.692 468 HD1 TYR 66 2HD TYR 66 0.547 -3.170 -6.305 469 HD2 TYR 66 1HD TYR 66 -1.595 -1.674 -9.662 470 HE1 TYR 66 2HE TYR 66 0.374 -5.453 -7.204 471 HE2 TYR 66 1HE TYR 66 -1.775 -3.952 -10.571 472 HH TYR 66 HH TYR 66 0.068 -6.491 -9.543 473 H PHE 67 H PHE 67 1.924 -0.918 -5.653 474 HA PHE 67 HA PHE 67 3.744 -2.798 -6.950 475 HB2 PHE 67 1HB PHE 67 4.553 -0.372 -5.409 476 HB3 PHE 67 2HB PHE 67 5.514 -1.836 -5.227 477 HD1 PHE 67 1HD PHE 67 4.015 0.257 -7.926 478 HD2 PHE 67 2HD PHE 67 7.292 -2.136 -6.643 479 HE1 PHE 67 1HE PHE 67 5.217 0.795 -10.005 480 HE2 PHE 67 2HE PHE 67 8.500 -1.602 -8.719 481 HZ PHE 67 HZ PHE 67 7.463 -0.134 -10.403 482 H PHE 68 H PHE 68 4.909 -4.152 -5.287 483 HA PHE 68 HA PHE 68 3.393 -4.430 -2.794 484 HB2 PHE 68 1HB PHE 68 3.645 -6.441 -4.979 485 HB3 PHE 68 2HB PHE 68 3.698 -7.023 -3.318 486 HD1 PHE 68 1HD PHE 68 1.784 -5.904 -1.787 487 HD2 PHE 68 2HD PHE 68 1.603 -6.458 -6.003 488 HE1 PHE 68 1HE PHE 68 -0.673 -5.840 -1.686 489 HE2 PHE 68 2HE PHE 68 -0.855 -6.393 -5.909 490 HZ PHE 68 HZ PHE 68 -1.996 -6.083 -3.749 491 H VAL 69 H VAL 69 4.987 -3.928 -1.400 492 HA VAL 69 HA VAL 69 7.482 -5.489 -1.581 493 HB VAL 69 HB VAL 69 7.149 -2.684 -0.509 494 HG11 VAL 69 1HG1 VAL 69 8.817 -4.239 0.648 495 HG12 VAL 69 2HG1 VAL 69 9.742 -4.158 -0.853 496 HG13 VAL 69 3HG1 VAL 69 9.419 -2.687 0.066 497 HG21 VAL 69 1HG2 VAL 69 7.158 -3.108 -3.046 498 HG22 VAL 69 2HG2 VAL 69 8.271 -1.902 -2.400 499 HG23 VAL 69 3HG2 VAL 69 8.862 -3.507 -2.829 500 H GLU 70 H GLU 70 7.403 -7.027 -0.076 501 HA GLU 70 HA GLU 70 7.220 -8.067 1.938 502 HB2 GLU 70 1HB GLU 70 7.392 -5.210 2.890 503 HB3 GLU 70 2HB GLU 70 7.326 -6.578 3.991 504 HG2 GLU 70 1HG GLU 70 9.385 -6.595 1.853 505 HG3 GLU 70 2HG GLU 70 9.610 -5.517 3.228 506 H GLY 71 H GLY 71 4.879 -7.794 0.535 507 HA2 GLY 71 1HA GLY 71 2.621 -8.100 0.836 508 HA3 GLY 71 2HA GLY 71 2.938 -8.184 2.563 509 H GLU 72 H GLU 72 4.044 -5.354 0.988 510 HA GLU 72 HA GLU 72 1.665 -3.880 1.909 511 HB2 GLU 72 1HB GLU 72 3.580 -3.564 3.444 512 HB3 GLU 72 2HB GLU 72 4.539 -2.960 2.100 513 HG2 GLU 72 1HG GLU 72 3.858 -0.999 3.035 514 HG3 GLU 72 2HG GLU 72 2.566 -1.254 1.863 515 H LEU 73 H LEU 73 1.156 -1.954 0.762 516 HA LEU 73 HA LEU 73 1.959 -2.077 -2.036 517 HB2 LEU 73 1HB LEU 73 -0.313 -0.939 -0.518 518 HB3 LEU 73 2HB LEU 73 0.155 -0.102 -1.997 519 HG LEU 73 HG LEU 73 -0.417 -3.049 -1.988 520 HD11 LEU 73 1HD1 LEU 73 -2.293 -0.912 -1.503 521 HD12 LEU 73 2HD1 LEU 73 -2.547 -2.657 -1.498 522 HD13 LEU 73 3HD1 LEU 73 -2.658 -1.754 -3.009 523 HD21 LEU 73 1HD2 LEU 73 0.287 -1.044 -3.936 524 HD22 LEU 73 2HD2 LEU 73 -1.249 -1.809 -4.343 525 HD23 LEU 73 3HD2 LEU 73 0.194 -2.796 -4.109 526 H TYR 74 H TYR 74 2.603 -0.188 -3.211 527 HA TYR 74 HA TYR 74 3.370 2.194 -1.793 528 HB2 TYR 74 1HB TYR 74 5.436 0.212 -2.724 529 HB3 TYR 74 2HB TYR 74 5.809 1.926 -2.579 530 HD1 TYR 74 2HD TYR 74 5.598 3.029 -0.325 531 HD2 TYR 74 1HD TYR 74 5.393 -1.191 -0.824 532 HE1 TYR 74 2HE TYR 74 6.066 2.729 2.071 533 HE2 TYR 74 1HE TYR 74 5.859 -1.503 1.571 534 HH TYR 74 HH TYR 74 5.622 -0.201 3.677 535 H CYS 75 H CYS 75 4.044 3.891 -3.188 536 HA CYS 75 HA CYS 75 2.896 3.708 -5.815 537 HB2 CYS 75 1HB CYS 75 3.502 6.093 -5.995 538 HB3 CYS 75 2HB CYS 75 2.626 5.748 -4.508 539 H GLU 76 H GLU 76 3.981 4.152 -7.796 540 HA GLU 76 HA GLU 76 6.160 2.675 -8.406 541 HB2 GLU 76 1HB GLU 76 4.604 4.174 -9.899 542 HB3 GLU 76 2HB GLU 76 5.907 5.344 -9.736 543 HG2 GLU 76 1HG GLU 76 7.471 3.585 -10.588 544 HG3 GLU 76 2HG GLU 76 6.056 2.593 -10.936 545 H THR 77 H THR 77 6.181 5.953 -7.118 546 HA THR 77 HA THR 77 8.934 6.463 -7.411 547 HB THR 77 HB THR 77 7.078 7.556 -5.289 548 HG1 THR 77 1HG THR 77 7.263 9.367 -7.029 549 HG21 THR 77 1HG2 THR 77 9.737 7.811 -5.278 550 HG22 THR 77 2HG2 THR 77 8.660 9.113 -4.774 551 HG23 THR 77 3HG2 THR 77 9.345 9.114 -6.399 552 H HIS 78 H HIS 78 7.283 5.884 -4.307 553 HA HIS 78 HA HIS 78 9.577 5.244 -2.869 554 HB2 HIS 78 1HB HIS 78 6.666 4.620 -2.466 555 HB3 HIS 78 2HB HIS 78 7.878 3.986 -1.356 556 HD2 HIS 78 2HD HIS 78 9.704 6.575 -0.839 557 HE1 HIS 78 1HE HIS 78 6.068 8.579 0.037 558 HE2 HIS 78 2HE HIS 78 8.581 8.665 0.191 559 H ALA 79 H ALA 79 7.153 2.991 -4.205 560 HA ALA 79 HA ALA 79 8.241 0.589 -3.551 561 HB1 ALA 79 1HB ALA 79 6.859 -0.331 -5.093 562 HB2 ALA 79 2HB ALA 79 6.191 1.301 -5.102 563 HB3 ALA 79 3HB ALA 79 7.327 0.807 -6.357 564 H ARG 80 H ARG 80 9.007 2.345 -6.565 565 HA ARG 80 HA ARG 80 10.923 0.700 -7.606 566 HB2 ARG 80 1HB ARG 80 10.517 3.654 -7.676 567 HB3 ARG 80 2HB ARG 80 12.018 3.006 -8.323 568 HG2 ARG 80 1HG ARG 80 10.873 1.738 -9.960 569 HG3 ARG 80 2HG ARG 80 9.312 2.031 -9.190 570 HD2 ARG 80 1HD ARG 80 9.316 4.306 -9.831 571 HD3 ARG 80 2HD ARG 80 11.021 4.252 -10.279 572 HE ARG 80 HE ARG 80 9.397 2.458 -11.815 573 HH11 ARG 80 2HH1 ARG 80 10.511 5.744 -11.526 574 HH12 ARG 80 1HH1 ARG 80 10.302 6.100 -13.208 575 HH21 ARG 80 2HH2 ARG 80 9.117 2.916 -14.032 576 HH22 ARG 80 1HH2 ARG 80 9.508 4.491 -14.633 577 H ALA 81 H ALA 81 11.368 3.166 -5.104 578 HA ALA 81 HA ALA 81 14.170 2.882 -4.871 579 HB1 ALA 81 1HB ALA 81 13.834 3.985 -2.642 580 HB2 ALA 81 2HB ALA 81 13.159 4.858 -4.019 581 HB3 ALA 81 3HB ALA 81 12.099 3.932 -2.955 582 H ARG 82 H ARG 82 11.457 1.328 -3.223 583 HA ARG 82 HA ARG 82 13.037 -0.088 -1.336 584 HB2 ARG 82 1HB ARG 82 10.282 -0.792 -2.361 585 HB3 ARG 82 2HB ARG 82 11.021 -1.355 -0.868 586 HG2 ARG 82 1HG ARG 82 10.811 0.718 0.165 587 HG3 ARG 82 2HG ARG 82 10.596 1.564 -1.369 588 HD2 ARG 82 1HD ARG 82 8.448 1.521 -0.485 589 HD3 ARG 82 2HD ARG 82 8.453 0.150 -1.593 590 HE ARG 82 HE ARG 82 8.040 -1.188 0.198 591 HH11 ARG 82 2HH1 ARG 82 9.602 1.708 1.335 592 HH12 ARG 82 1HH1 ARG 82 9.497 1.264 3.007 593 HH21 ARG 82 2HH2 ARG 82 7.897 -1.784 2.395 594 HH22 ARG 82 1HH2 ARG 82 8.528 -0.723 3.609 595 H THR 83 H THR 83 11.261 -1.290 -4.191 596 HA THR 83 HA THR 83 12.783 -3.741 -4.190 597 HB THR 83 HB THR 83 10.374 -3.678 -4.831 598 HG1 THR 83 1HG THR 83 11.472 -5.449 -5.567 599 HG21 THR 83 1HG2 THR 83 9.629 -2.740 -6.851 600 HG22 THR 83 2HG2 THR 83 11.270 -2.534 -7.462 601 HG23 THR 83 3HG2 THR 83 10.679 -1.505 -6.158 602 H SER 84 H SER 84 13.954 -0.963 -4.804 603 HA SER 84 HA SER 84 14.716 -0.717 -7.445 604 HB2 SER 84 1HB SER 84 15.194 0.877 -5.514 605 HB3 SER 84 2HB SER 84 16.580 -0.146 -5.138 606 HG SER 84 HG SER 84 16.838 0.277 -7.651 607 H GLY 85 H GLY 85 16.280 -1.576 -8.743 608 HA2 GLY 85 1HA GLY 85 17.574 -3.309 -9.550 609 HA3 GLY 85 2HA GLY 85 18.549 -2.948 -8.133 610 HA PRO 86 HA PRO 86 15.588 -6.507 -6.758 611 HB2 PRO 86 1HB PRO 86 13.984 -7.585 -8.664 612 HB3 PRO 86 2HB PRO 86 13.491 -6.222 -7.653 613 HG2 PRO 86 1HG PRO 86 14.545 -6.218 -10.455 614 HG3 PRO 86 2HG PRO 86 13.204 -5.286 -9.763 615 HD2 PRO 86 1HD PRO 86 15.664 -4.226 -10.162 616 HD3 PRO 86 2HD PRO 86 14.613 -3.722 -8.823 617 H SER 87 H SER 87 15.907 -8.778 -6.852 618 HA SER 87 HA SER 87 17.751 -9.655 -8.978 619 HB2 SER 87 1HB SER 87 18.631 -9.317 -6.531 620 HB3 SER 87 2HB SER 87 17.823 -10.856 -6.230 621 HG SER 87 HG SER 87 20.185 -10.411 -7.397 622 H SER 88 H SER 88 17.373 -11.589 -9.935 623 HA SER 88 HA SER 88 14.786 -12.773 -9.562 624 HB2 SER 88 1HB SER 88 17.076 -13.212 -11.442 625 HB3 SER 88 2HB SER 88 15.818 -14.440 -11.315 626 HG SER 88 HG SER 88 15.566 -11.738 -12.108 627 H GLY 89 H GLY 89 14.290 -14.342 -8.188 628 HA2 GLY 89 1HA GLY 89 14.731 -16.638 -7.472 629 HA3 GLY 89 2HA GLY 89 16.431 -16.203 -7.363 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -38.896 26.236 57.674 2 HA2 GLY 1 1HA GLY 1 -39.638 28.581 56.279 3 HA3 GLY 1 2HA GLY 1 -38.522 27.645 55.296 4 H SER 2 H SER 2 -40.236 27.396 53.761 5 HA SER 2 HA SER 2 -41.817 25.030 54.284 6 HB2 SER 2 1HB SER 2 -43.058 27.736 53.851 7 HB3 SER 2 2HB SER 2 -43.899 26.268 53.354 8 HG SER 2 HG SER 2 -43.722 25.539 55.523 9 H SER 3 H SER 3 -41.891 23.797 52.519 10 HA SER 3 HA SER 3 -41.906 24.970 49.868 11 HB2 SER 3 1HB SER 3 -39.572 23.404 50.947 12 HB3 SER 3 2HB SER 3 -39.934 23.425 49.222 13 HG SER 3 HG SER 3 -38.468 25.071 49.755 14 H GLY 4 H GLY 4 -42.513 23.498 48.226 15 HA2 GLY 4 1HA GLY 4 -43.193 20.774 49.054 16 HA3 GLY 4 2HA GLY 4 -44.510 21.811 48.528 17 H SER 5 H SER 5 -43.053 19.308 47.455 18 HA SER 5 HA SER 5 -43.200 20.134 44.676 19 HB2 SER 5 1HB SER 5 -40.888 20.547 44.956 20 HB3 SER 5 2HB SER 5 -40.668 19.112 45.956 21 HG SER 5 HG SER 5 -41.082 17.849 44.097 22 H SER 6 H SER 6 -43.991 18.559 43.400 23 HA SER 6 HA SER 6 -43.772 15.770 44.159 24 HB2 SER 6 1HB SER 6 -45.752 16.497 45.419 25 HB3 SER 6 2HB SER 6 -46.477 17.114 43.935 26 HG SER 6 HG SER 6 -47.253 15.176 43.743 27 H GLY 7 H GLY 7 -44.327 14.319 42.468 28 HA2 GLY 7 1HA GLY 7 -45.469 14.333 40.165 29 HA3 GLY 7 2HA GLY 7 -44.322 15.621 39.826 30 H VAL 8 H VAL 8 -44.867 12.299 39.756 31 HA VAL 8 HA VAL 8 -42.090 11.843 38.941 32 HB VAL 8 HB VAL 8 -42.213 11.068 41.255 33 HG11 VAL 8 1HG1 VAL 8 -44.155 8.933 40.517 34 HG12 VAL 8 2HG1 VAL 8 -43.797 9.636 42.095 35 HG13 VAL 8 3HG1 VAL 8 -44.763 10.537 40.926 36 HG21 VAL 8 1HG2 VAL 8 -40.901 9.847 39.458 37 HG22 VAL 8 2HG2 VAL 8 -41.250 8.939 40.930 38 HG23 VAL 8 3HG2 VAL 8 -42.196 8.649 39.469 39 H ARG 9 H ARG 9 -41.811 10.268 37.370 40 HA ARG 9 HA ARG 9 -44.141 8.780 36.446 41 HB2 ARG 9 1HB ARG 9 -42.606 10.716 34.706 42 HB3 ARG 9 2HB ARG 9 -43.740 9.521 34.094 43 HG2 ARG 9 1HG ARG 9 -45.545 10.579 35.348 44 HG3 ARG 9 2HG ARG 9 -44.407 11.773 35.977 45 HD2 ARG 9 1HD ARG 9 -44.897 11.351 33.037 46 HD3 ARG 9 2HD ARG 9 -45.810 12.506 34.008 47 HE ARG 9 HE ARG 9 -42.930 12.784 34.122 48 HH11 ARG 9 2HH1 ARG 9 -45.903 13.774 32.605 49 HH12 ARG 9 1HH1 ARG 9 -45.257 15.270 32.016 50 HH21 ARG 9 2HH2 ARG 9 -42.067 14.750 33.351 51 HH22 ARG 9 1HH2 ARG 9 -43.075 15.823 32.440 52 H ALA 10 H ALA 10 -43.570 7.157 34.795 53 HA ALA 10 HA ALA 10 -40.726 6.408 34.851 54 HB1 ALA 10 1HB ALA 10 -43.054 4.563 35.370 55 HB2 ALA 10 2HB ALA 10 -41.382 4.047 35.152 56 HB3 ALA 10 3HB ALA 10 -41.820 5.058 36.528 57 HA PRO 11 HA PRO 11 -41.574 6.253 30.470 58 HB2 PRO 11 1HB PRO 11 -39.036 5.633 29.733 59 HB3 PRO 11 2HB PRO 11 -39.531 7.266 30.192 60 HG2 PRO 11 1HG PRO 11 -38.129 5.183 31.822 61 HG3 PRO 11 2HG PRO 11 -37.805 6.923 31.712 62 HD2 PRO 11 1HD PRO 11 -39.180 5.824 33.769 63 HD3 PRO 11 2HD PRO 11 -39.512 7.460 33.165 64 H VAL 12 H VAL 12 -40.798 4.620 28.687 65 HA VAL 12 HA VAL 12 -40.531 1.895 29.652 66 HB VAL 12 HB VAL 12 -42.482 1.075 28.390 67 HG11 VAL 12 1HG1 VAL 12 -44.208 1.850 29.959 68 HG12 VAL 12 2HG1 VAL 12 -42.695 1.459 30.779 69 HG13 VAL 12 3HG1 VAL 12 -43.132 3.143 30.488 70 HG21 VAL 12 1HG2 VAL 12 -42.435 3.519 27.156 71 HG22 VAL 12 2HG2 VAL 12 -43.757 2.355 27.066 72 HG23 VAL 12 3HG2 VAL 12 -43.817 3.669 28.241 73 H THR 13 H THR 13 -40.061 0.370 27.955 74 HA THR 13 HA THR 13 -39.487 1.460 25.314 75 HB THR 13 HB THR 13 -37.177 0.575 25.315 76 HG1 THR 13 1HG THR 13 -37.551 0.300 28.129 77 HG21 THR 13 1HG2 THR 13 -37.948 2.717 27.271 78 HG22 THR 13 2HG2 THR 13 -37.248 2.884 25.661 79 HG23 THR 13 3HG2 THR 13 -36.257 2.300 26.998 80 H LYS 14 H LYS 14 -39.733 -0.009 23.720 81 HA LYS 14 HA LYS 14 -39.563 -2.848 24.260 82 HB2 LYS 14 1HB LYS 14 -41.965 -1.880 24.781 83 HB3 LYS 14 2HB LYS 14 -42.135 -1.946 23.032 84 HG2 LYS 14 1HG LYS 14 -42.086 -4.233 22.973 85 HG3 LYS 14 2HG LYS 14 -41.145 -4.360 24.462 86 HD2 LYS 14 1HD LYS 14 -43.894 -3.226 24.614 87 HD3 LYS 14 2HD LYS 14 -43.716 -4.969 24.396 88 HE2 LYS 14 1HE LYS 14 -42.002 -4.714 26.370 89 HE3 LYS 14 2HE LYS 14 -42.919 -3.243 26.695 90 HZ1 LYS 14 1HZ LYS 14 -44.819 -5.167 26.293 91 HZ2 LYS 14 2HZ LYS 14 -44.330 -4.542 27.786 92 HZ3 LYS 14 3HZ LYS 14 -43.627 -5.962 27.192 93 H VAL 15 H VAL 15 -38.182 -3.342 22.671 94 HA VAL 15 HA VAL 15 -39.035 -2.879 19.920 95 HB VAL 15 HB VAL 15 -36.791 -2.123 19.229 96 HG11 VAL 15 1HG1 VAL 15 -36.938 0.168 20.408 97 HG12 VAL 15 2HG1 VAL 15 -38.300 -0.364 19.420 98 HG13 VAL 15 3HG1 VAL 15 -38.380 -0.494 21.178 99 HG21 VAL 15 1HG2 VAL 15 -36.225 -2.624 22.060 100 HG22 VAL 15 2HG2 VAL 15 -35.139 -2.613 20.669 101 HG23 VAL 15 3HG2 VAL 15 -35.588 -1.096 21.449 102 H HIS 16 H HIS 16 -37.478 -4.043 18.376 103 HA HIS 16 HA HIS 16 -36.320 -6.439 19.604 104 HB2 HIS 16 1HB HIS 16 -37.398 -7.898 17.982 105 HB3 HIS 16 2HB HIS 16 -38.618 -7.004 18.884 106 HD1 HIS 16 1HD HIS 16 -38.331 -8.195 15.710 107 HD2 HIS 16 2HD HIS 16 -38.924 -4.339 17.139 108 HE1 HIS 16 1HE HIS 16 -39.374 -6.925 13.806 109 HE2 HIS 16 2HE HIS 16 -39.645 -4.573 14.666 110 H GLY 17 H GLY 17 -34.815 -7.579 18.218 111 HA2 GLY 17 1HA GLY 17 -33.693 -5.824 16.120 112 HA3 GLY 17 2HA GLY 17 -32.695 -6.758 17.225 113 H GLY 18 H GLY 18 -33.002 -6.720 14.220 114 HA2 GLY 18 1HA GLY 18 -33.007 -9.620 13.921 115 HA3 GLY 18 2HA GLY 18 -34.207 -8.742 12.985 116 H ALA 19 H ALA 19 -30.845 -9.510 13.344 117 HA ALA 19 HA ALA 19 -30.365 -8.445 10.652 118 HB1 ALA 19 1HB ALA 19 -28.863 -7.782 13.139 119 HB2 ALA 19 2HB ALA 19 -27.992 -7.877 11.608 120 HB3 ALA 19 3HB ALA 19 -29.331 -6.743 11.793 121 H GLY 20 H GLY 20 -28.693 -9.501 9.482 122 HA2 GLY 20 1HA GLY 20 -26.841 -11.270 9.942 123 HA3 GLY 20 2HA GLY 20 -28.221 -12.238 10.439 124 H SER 21 H SER 21 -26.150 -11.969 8.035 125 HA SER 21 HA SER 21 -27.875 -13.249 6.144 126 HB2 SER 21 1HB SER 21 -27.138 -10.385 5.793 127 HB3 SER 21 2HB SER 21 -27.088 -11.417 4.364 128 HG SER 21 HG SER 21 -29.142 -10.602 4.510 129 H ALA 22 H ALA 22 -26.705 -13.996 4.233 130 HA ALA 22 HA ALA 22 -24.072 -14.873 4.915 131 HB1 ALA 22 1HB ALA 22 -25.922 -15.301 2.618 132 HB2 ALA 22 2HB ALA 22 -24.219 -15.723 2.439 133 HB3 ALA 22 3HB ALA 22 -25.185 -16.476 3.708 134 H GLN 23 H GLN 23 -22.227 -13.838 4.570 135 HA GLN 23 HA GLN 23 -22.056 -11.955 2.318 136 HB2 GLN 23 1HB GLN 23 -21.382 -11.509 5.194 137 HB3 GLN 23 2HB GLN 23 -20.412 -10.710 3.964 138 HG2 GLN 23 1HG GLN 23 -21.968 -9.101 4.291 139 HG3 GLN 23 2HG GLN 23 -22.795 -10.032 3.044 140 HE21 GLN 23 1HE2 GLN 23 -22.524 -9.597 6.531 141 HE22 GLN 23 2HE2 GLN 23 -24.144 -10.073 6.898 142 H ARG 24 H ARG 24 -20.562 -12.632 0.944 143 HA ARG 24 HA ARG 24 -18.197 -14.030 2.013 144 HB2 ARG 24 1HB ARG 24 -19.819 -15.365 0.566 145 HB3 ARG 24 2HB ARG 24 -19.293 -14.358 -0.776 146 HG2 ARG 24 1HG ARG 24 -16.905 -15.130 0.036 147 HG3 ARG 24 2HG ARG 24 -17.832 -16.480 0.693 148 HD2 ARG 24 1HD ARG 24 -16.962 -16.908 -1.584 149 HD3 ARG 24 2HD ARG 24 -18.720 -16.995 -1.482 150 HE ARG 24 HE ARG 24 -18.055 -14.398 -2.225 151 HH11 ARG 24 2HH1 ARG 24 -17.790 -17.626 -3.502 152 HH12 ARG 24 1HH1 ARG 24 -17.867 -17.119 -5.156 153 HH21 ARG 24 2HH2 ARG 24 -18.158 -13.717 -4.400 154 HH22 ARG 24 1HH2 ARG 24 -18.076 -14.895 -5.666 155 H MET 25 H MET 25 -18.839 -11.108 1.326 156 HA MET 25 HA MET 25 -17.145 -10.467 -0.889 157 HB2 MET 25 1HB MET 25 -17.740 -8.260 -0.528 158 HB3 MET 25 2HB MET 25 -19.122 -9.112 0.146 159 HG2 MET 25 1HG MET 25 -16.801 -8.053 1.742 160 HG3 MET 25 2HG MET 25 -18.356 -7.246 1.549 161 HE1 MET 25 1HE MET 25 -16.242 -8.881 3.643 162 HE2 MET 25 2HE MET 25 -17.338 -8.062 4.756 163 HE3 MET 25 3HE MET 25 -17.161 -9.817 4.823 164 HA PRO 26 HA PRO 26 -13.202 -10.309 1.035 165 HB2 PRO 26 1HB PRO 26 -12.048 -8.240 -0.291 166 HB3 PRO 26 2HB PRO 26 -12.342 -9.815 -1.038 167 HG2 PRO 26 1HG PRO 26 -13.941 -7.293 -1.245 168 HG3 PRO 26 2HG PRO 26 -13.495 -8.443 -2.519 169 HD2 PRO 26 1HD PRO 26 -15.943 -8.427 -1.362 170 HD3 PRO 26 2HD PRO 26 -15.176 -9.915 -1.952 171 H LEU 27 H LEU 27 -12.015 -9.246 2.612 172 HA LEU 27 HA LEU 27 -13.345 -6.920 3.806 173 HB2 LEU 27 1HB LEU 27 -12.648 -9.239 4.965 174 HB3 LEU 27 2HB LEU 27 -11.176 -8.314 5.251 175 HG LEU 27 HG LEU 27 -12.588 -8.156 7.183 176 HD11 LEU 27 1HD1 LEU 27 -13.229 -5.494 6.283 177 HD12 LEU 27 2HD1 LEU 27 -11.615 -5.970 5.758 178 HD13 LEU 27 3HD1 LEU 27 -12.037 -6.025 7.469 179 HD21 LEU 27 1HD2 LEU 27 -14.719 -7.113 5.320 180 HD22 LEU 27 2HD2 LEU 27 -14.837 -7.206 7.077 181 HD23 LEU 27 3HD2 LEU 27 -14.721 -8.684 6.121 182 H CYS 28 H CYS 28 -12.483 -4.998 3.433 183 HA CYS 28 HA CYS 28 -10.116 -4.478 2.111 184 HB2 CYS 28 1HB CYS 28 -12.012 -2.867 2.562 185 HB3 CYS 28 2HB CYS 28 -11.337 -2.639 4.173 186 H ASP 29 H ASP 29 -8.105 -4.951 2.669 187 HA ASP 29 HA ASP 29 -7.333 -5.511 5.358 188 HB2 ASP 29 1HB ASP 29 -6.358 -6.486 3.178 189 HB3 ASP 29 2HB ASP 29 -5.410 -5.003 3.098 190 H LYS 30 H LYS 30 -7.982 -2.650 3.962 191 HA LYS 30 HA LYS 30 -5.780 -1.180 5.211 192 HB2 LYS 30 1HB LYS 30 -6.369 -0.570 2.912 193 HB3 LYS 30 2HB LYS 30 -8.018 -0.222 3.416 194 HG2 LYS 30 1HG LYS 30 -7.259 1.887 3.511 195 HG3 LYS 30 2HG LYS 30 -6.666 1.386 5.096 196 HD2 LYS 30 1HD LYS 30 -4.525 0.699 3.901 197 HD3 LYS 30 2HD LYS 30 -5.141 1.599 2.512 198 HE2 LYS 30 1HE LYS 30 -4.857 2.799 5.258 199 HE3 LYS 30 2HE LYS 30 -3.577 2.857 4.048 200 HZ1 LYS 30 1HZ LYS 30 -6.186 3.741 3.146 201 HZ2 LYS 30 2HZ LYS 30 -4.658 4.403 2.855 202 HZ3 LYS 30 3HZ LYS 30 -5.456 4.727 4.311 203 H CYS 31 H CYS 31 -9.343 -1.024 5.084 204 HA CYS 31 HA CYS 31 -9.290 0.181 7.771 205 HB2 CYS 31 1HB CYS 31 -11.411 1.223 7.254 206 HB3 CYS 31 2HB CYS 31 -10.263 1.602 5.974 207 H GLY 32 H GLY 32 -9.413 -2.728 6.699 208 HA2 GLY 32 1HA GLY 32 -10.635 -4.661 7.105 209 HA3 GLY 32 2HA GLY 32 -10.567 -4.028 8.743 210 H SER 33 H SER 33 -12.360 -2.834 5.923 211 HA SER 33 HA SER 33 -14.848 -3.289 7.439 212 HB2 SER 33 1HB SER 33 -13.935 -0.844 6.947 213 HB3 SER 33 2HB SER 33 -14.704 -1.127 5.385 214 HG SER 33 HG SER 33 -16.565 -0.842 6.299 215 H GLY 34 H GLY 34 -16.395 -4.444 6.465 216 HA2 GLY 34 1HA GLY 34 -16.073 -6.058 4.324 217 HA3 GLY 34 2HA GLY 34 -17.644 -5.410 4.773 218 H ILE 35 H ILE 35 -16.183 -5.997 2.143 219 HA ILE 35 HA ILE 35 -16.511 -3.340 0.919 220 HB ILE 35 HB ILE 35 -15.033 -5.737 -0.173 221 HG12 ILE 35 1HG1 ILE 35 -13.812 -3.135 0.724 222 HG13 ILE 35 2HG1 ILE 35 -14.063 -4.463 1.852 223 HG21 ILE 35 1HG2 ILE 35 -16.145 -3.624 -1.554 224 HG22 ILE 35 2HG2 ILE 35 -14.461 -3.143 -1.347 225 HG23 ILE 35 3HG2 ILE 35 -14.851 -4.676 -2.126 226 HD11 ILE 35 1HD1 ILE 35 -11.826 -4.581 1.084 227 HD12 ILE 35 2HD1 ILE 35 -12.711 -5.898 0.315 228 HD13 ILE 35 3HD1 ILE 35 -12.329 -4.440 -0.600 229 H VAL 36 H VAL 36 -18.185 -3.006 -0.385 230 HA VAL 36 HA VAL 36 -19.299 -5.138 -1.989 231 HB VAL 36 HB VAL 36 -20.581 -5.583 -0.042 232 HG11 VAL 36 1HG1 VAL 36 -22.006 -3.576 0.871 233 HG12 VAL 36 2HG1 VAL 36 -20.349 -3.831 1.422 234 HG13 VAL 36 3HG1 VAL 36 -20.693 -2.615 0.192 235 HG21 VAL 36 1HG2 VAL 36 -22.827 -4.217 -0.918 236 HG22 VAL 36 2HG2 VAL 36 -21.821 -4.359 -2.360 237 HG23 VAL 36 3HG2 VAL 36 -22.286 -5.805 -1.464 238 H GLY 37 H GLY 37 -19.643 -4.276 -3.923 239 HA2 GLY 37 1HA GLY 37 -21.036 -2.702 -5.201 240 HA3 GLY 37 2HA GLY 37 -20.544 -1.465 -4.054 241 H ALA 38 H ALA 38 -17.877 -1.716 -3.877 242 HA ALA 38 HA ALA 38 -16.710 -1.888 -6.524 243 HB1 ALA 38 1HB ALA 38 -16.688 0.273 -7.018 244 HB2 ALA 38 2HB ALA 38 -17.643 0.598 -5.571 245 HB3 ALA 38 3HB ALA 38 -15.882 0.641 -5.493 246 H VAL 39 H VAL 39 -14.741 -2.731 -6.352 247 HA VAL 39 HA VAL 39 -13.134 -2.161 -3.965 248 HB VAL 39 HB VAL 39 -14.432 -4.479 -4.008 249 HG11 VAL 39 1HG1 VAL 39 -13.456 -6.205 -5.148 250 HG12 VAL 39 2HG1 VAL 39 -13.149 -4.884 -6.277 251 HG13 VAL 39 3HG1 VAL 39 -11.873 -5.430 -5.189 252 HG21 VAL 39 1HG2 VAL 39 -12.951 -5.232 -2.389 253 HG22 VAL 39 2HG2 VAL 39 -11.544 -4.570 -3.221 254 HG23 VAL 39 3HG2 VAL 39 -12.665 -3.492 -2.391 255 H VAL 40 H VAL 40 -10.840 -2.966 -4.261 256 HA VAL 40 HA VAL 40 -10.007 -2.944 -7.076 257 HB VAL 40 HB VAL 40 -8.850 -1.177 -4.917 258 HG11 VAL 40 1HG1 VAL 40 -7.764 -0.578 -7.454 259 HG12 VAL 40 2HG1 VAL 40 -6.930 -1.201 -6.030 260 HG13 VAL 40 3HG1 VAL 40 -7.606 -2.318 -7.216 261 HG21 VAL 40 1HG2 VAL 40 -10.450 -0.643 -7.402 262 HG22 VAL 40 2HG2 VAL 40 -10.776 -0.124 -5.748 263 HG23 VAL 40 3HG2 VAL 40 -9.447 0.600 -6.653 264 H LYS 41 H LYS 41 -9.224 -4.976 -7.189 265 HA LYS 41 HA LYS 41 -7.351 -5.870 -5.108 266 HB2 LYS 41 1HB LYS 41 -8.824 -7.608 -5.244 267 HB3 LYS 41 2HB LYS 41 -9.254 -7.254 -6.912 268 HG2 LYS 41 1HG LYS 41 -6.995 -8.159 -7.564 269 HG3 LYS 41 2HG LYS 41 -6.839 -8.728 -5.900 270 HD2 LYS 41 1HD LYS 41 -9.195 -9.784 -6.377 271 HD3 LYS 41 2HD LYS 41 -8.684 -9.641 -8.061 272 HE2 LYS 41 1HE LYS 41 -6.510 -10.785 -7.235 273 HE3 LYS 41 2HE LYS 41 -7.486 -11.265 -5.848 274 HZ1 LYS 41 1HZ LYS 41 -8.770 -12.641 -7.107 275 HZ2 LYS 41 2HZ LYS 41 -7.319 -12.766 -7.968 276 HZ3 LYS 41 3HZ LYS 41 -8.553 -11.755 -8.532 277 H ALA 42 H ALA 42 -5.253 -5.842 -5.540 278 HA ALA 42 HA ALA 42 -4.323 -5.304 -8.226 279 HB1 ALA 42 1HB ALA 42 -2.046 -5.384 -7.006 280 HB2 ALA 42 2HB ALA 42 -3.155 -4.057 -6.658 281 HB3 ALA 42 3HB ALA 42 -3.019 -5.409 -5.535 282 H ARG 43 H ARG 43 -2.859 -7.518 -5.877 283 HA ARG 43 HA ARG 43 -2.450 -9.444 -8.043 284 HB2 ARG 43 1HB ARG 43 -0.476 -8.743 -6.754 285 HB3 ARG 43 2HB ARG 43 -1.233 -9.328 -5.278 286 HG2 ARG 43 1HG ARG 43 0.040 -11.137 -5.722 287 HG3 ARG 43 2HG ARG 43 -1.350 -11.569 -6.719 288 HD2 ARG 43 1HD ARG 43 -0.071 -10.193 -8.547 289 HD3 ARG 43 2HD ARG 43 1.328 -10.538 -7.531 290 HE ARG 43 HE ARG 43 -0.061 -12.373 -9.227 291 HH11 ARG 43 2HH1 ARG 43 1.829 -12.092 -6.318 292 HH12 ARG 43 1HH1 ARG 43 2.405 -13.724 -6.378 293 HH21 ARG 43 2HH2 ARG 43 0.690 -14.525 -9.318 294 HH22 ARG 43 1HH2 ARG 43 1.757 -15.108 -8.086 295 H ASP 44 H ASP 44 -2.671 -10.157 -4.599 296 HA ASP 44 HA ASP 44 -4.923 -11.966 -5.190 297 HB2 ASP 44 1HB ASP 44 -2.834 -12.361 -3.041 298 HB3 ASP 44 2HB ASP 44 -4.078 -13.504 -3.540 299 H LYS 45 H LYS 45 -3.865 -9.292 -3.419 300 HA LYS 45 HA LYS 45 -5.793 -9.659 -1.262 301 HB2 LYS 45 1HB LYS 45 -3.538 -7.778 -1.794 302 HB3 LYS 45 2HB LYS 45 -4.827 -7.250 -0.721 303 HG2 LYS 45 1HG LYS 45 -4.415 -9.506 0.482 304 HG3 LYS 45 2HG LYS 45 -2.868 -9.476 -0.366 305 HD2 LYS 45 1HD LYS 45 -3.875 -7.193 1.323 306 HD3 LYS 45 2HD LYS 45 -2.857 -8.490 1.954 307 HE2 LYS 45 1HE LYS 45 -1.989 -7.022 -0.492 308 HE3 LYS 45 2HE LYS 45 -1.805 -6.247 1.080 309 HZ1 LYS 45 1HZ LYS 45 -0.262 -8.335 -0.093 310 HZ2 LYS 45 2HZ LYS 45 -0.843 -8.788 1.430 311 HZ3 LYS 45 3HZ LYS 45 0.079 -7.379 1.261 312 H TYR 46 H TYR 46 -7.036 -7.554 -0.682 313 HA TYR 46 HA TYR 46 -8.074 -6.276 -3.114 314 HB2 TYR 46 1HB TYR 46 -9.771 -7.467 -0.911 315 HB3 TYR 46 2HB TYR 46 -10.379 -6.529 -2.271 316 HD1 TYR 46 1HD TYR 46 -8.178 -9.506 -1.711 317 HD2 TYR 46 2HD TYR 46 -11.289 -7.733 -4.008 318 HE1 TYR 46 1HE TYR 46 -8.363 -11.567 -3.040 319 HE2 TYR 46 2HE TYR 46 -11.484 -9.789 -5.343 320 HH TYR 46 HH TYR 46 -10.832 -11.912 -5.560 321 H ARG 47 H ARG 47 -8.799 -4.178 -2.871 322 HA ARG 47 HA ARG 47 -8.810 -2.985 -0.212 323 HB2 ARG 47 1HB ARG 47 -7.038 -1.973 -2.445 324 HB3 ARG 47 2HB ARG 47 -7.304 -1.160 -0.908 325 HG2 ARG 47 1HG ARG 47 -6.339 -3.954 -0.799 326 HG3 ARG 47 2HG ARG 47 -5.206 -2.726 -1.369 327 HD2 ARG 47 1HD ARG 47 -5.683 -1.408 0.676 328 HD3 ARG 47 2HD ARG 47 -6.702 -2.729 1.249 329 HE ARG 47 HE ARG 47 -4.793 -4.013 1.635 330 HH11 ARG 47 2HH1 ARG 47 -4.002 -0.932 0.222 331 HH12 ARG 47 1HH1 ARG 47 -2.315 -1.043 0.604 332 HH21 ARG 47 2HH2 ARG 47 -2.575 -4.172 2.143 333 HH22 ARG 47 1HH2 ARG 47 -1.505 -2.886 1.696 334 H HIS 48 H HIS 48 -10.038 -1.114 -0.055 335 HA HIS 48 HA HIS 48 -12.190 -0.834 -1.807 336 HB2 HIS 48 1HB HIS 48 -11.080 0.770 0.442 337 HB3 HIS 48 2HB HIS 48 -12.251 1.554 -0.614 338 HD2 HIS 48 2HD HIS 48 -14.381 -0.885 -0.967 339 HE1 HIS 48 1HE HIS 48 -14.480 -0.895 3.274 340 HE2 HIS 48 2HE HIS 48 -15.605 -1.688 1.165 341 HA PRO 49 HA PRO 49 -10.887 1.764 -5.091 342 HB2 PRO 49 1HB PRO 49 -12.971 3.480 -5.375 343 HB3 PRO 49 2HB PRO 49 -13.060 1.775 -5.834 344 HG2 PRO 49 1HG PRO 49 -14.042 3.122 -3.347 345 HG3 PRO 49 2HG PRO 49 -14.839 1.887 -4.340 346 HD2 PRO 49 1HD PRO 49 -13.565 1.296 -2.024 347 HD3 PRO 49 2HD PRO 49 -13.632 0.167 -3.393 348 H GLU 50 H GLU 50 -11.400 3.076 -1.990 349 HA GLU 50 HA GLU 50 -10.068 5.583 -2.784 350 HB2 GLU 50 1HB GLU 50 -11.170 6.711 -0.976 351 HB3 GLU 50 2HB GLU 50 -12.391 5.862 -1.912 352 HG2 GLU 50 1HG GLU 50 -12.504 4.111 -0.260 353 HG3 GLU 50 2HG GLU 50 -11.187 4.847 0.652 354 H CYS 51 H CYS 51 -10.054 2.818 -0.705 355 HA CYS 51 HA CYS 51 -8.141 3.797 1.173 356 HB2 CYS 51 1HB CYS 51 -9.123 1.028 0.490 357 HB3 CYS 51 2HB CYS 51 -7.905 1.321 1.726 358 H PHE 52 H PHE 52 -7.975 2.120 -1.892 359 HA PHE 52 HA PHE 52 -5.400 1.127 -1.854 360 HB2 PHE 52 1HB PHE 52 -7.327 1.202 -3.721 361 HB3 PHE 52 2HB PHE 52 -6.274 2.460 -4.361 362 HD1 PHE 52 2HD PHE 52 -5.549 -0.783 -2.672 363 HD2 PHE 52 1HD PHE 52 -5.132 1.613 -6.165 364 HE1 PHE 52 2HE PHE 52 -4.109 -2.507 -3.678 365 HE2 PHE 52 1HE PHE 52 -3.692 -0.107 -7.177 366 HZ PHE 52 HZ PHE 52 -3.178 -2.169 -5.932 367 H VAL 53 H VAL 53 -3.763 2.280 -0.999 368 HA VAL 53 HA VAL 53 -2.761 4.530 -2.496 369 HB VAL 53 HB VAL 53 -2.658 6.105 -0.663 370 HG11 VAL 53 1HG1 VAL 53 -5.048 6.628 -0.426 371 HG12 VAL 53 2HG1 VAL 53 -4.623 6.205 -2.086 372 HG13 VAL 53 3HG1 VAL 53 -5.449 5.032 -1.059 373 HG21 VAL 53 1HG2 VAL 53 -2.465 4.657 1.225 374 HG22 VAL 53 2HG2 VAL 53 -3.919 5.630 1.447 375 HG23 VAL 53 3HG2 VAL 53 -4.053 3.953 0.918 376 H CYS 54 H CYS 54 -0.714 5.412 -1.310 377 HA CYS 54 HA CYS 54 1.040 3.196 -0.962 378 HB2 CYS 54 1HB CYS 54 1.651 5.437 -1.963 379 HB3 CYS 54 2HB CYS 54 1.634 6.089 -0.327 380 H ALA 55 H ALA 55 2.589 3.114 0.933 381 HA ALA 55 HA ALA 55 1.026 3.306 3.415 382 HB1 ALA 55 1HB ALA 55 2.506 1.594 4.309 383 HB2 ALA 55 2HB ALA 55 1.775 1.058 2.796 384 HB3 ALA 55 3HB ALA 55 3.449 1.612 2.818 385 H ASP 56 H ASP 56 3.302 5.007 1.793 386 HA ASP 56 HA ASP 56 4.593 5.934 4.276 387 HB2 ASP 56 1HB ASP 56 5.993 4.832 2.350 388 HB3 ASP 56 2HB ASP 56 5.812 6.406 1.581 389 H CYS 57 H CYS 57 3.194 6.882 1.181 390 HA CYS 57 HA CYS 57 2.957 9.635 2.208 391 HB2 CYS 57 1HB CYS 57 2.891 10.355 -0.175 392 HB3 CYS 57 2HB CYS 57 4.417 9.604 0.282 393 H ASN 58 H ASN 58 1.298 6.848 1.317 394 HA ASN 58 HA ASN 58 -0.910 6.334 1.132 395 HB2 ASN 58 1HB ASN 58 -0.892 8.052 3.121 396 HB3 ASN 58 2HB ASN 58 -1.692 9.104 1.957 397 HD21 ASN 58 1HD2 ASN 58 -3.787 8.750 1.433 398 HD22 ASN 58 2HD2 ASN 58 -4.769 7.528 2.160 399 H LEU 59 H LEU 59 0.336 7.100 -1.190 400 HA LEU 59 HA LEU 59 -1.442 8.962 -2.561 401 HB2 LEU 59 1HB LEU 59 1.182 8.700 -2.773 402 HB3 LEU 59 2HB LEU 59 0.724 7.488 -3.969 403 HG LEU 59 HG LEU 59 -0.060 10.402 -4.039 404 HD11 LEU 59 1HD1 LEU 59 2.369 9.879 -4.434 405 HD12 LEU 59 2HD1 LEU 59 1.536 10.679 -5.766 406 HD13 LEU 59 3HD1 LEU 59 1.858 8.947 -5.842 407 HD21 LEU 59 1HD2 LEU 59 -0.537 8.130 -5.960 408 HD22 LEU 59 2HD2 LEU 59 -0.786 9.832 -6.351 409 HD23 LEU 59 3HD2 LEU 59 -1.751 9.066 -5.088 410 H ASN 60 H ASN 60 -3.028 8.367 -3.904 411 HA ASN 60 HA ASN 60 -4.086 5.819 -3.964 412 HB2 ASN 60 1HB ASN 60 -4.921 8.220 -4.872 413 HB3 ASN 60 2HB ASN 60 -4.513 7.449 -6.402 414 HD21 ASN 60 1HD2 ASN 60 -6.142 6.622 -3.357 415 HD22 ASN 60 2HD2 ASN 60 -7.477 5.811 -4.096 416 H LEU 61 H LEU 61 -3.041 4.046 -4.603 417 HA LEU 61 HA LEU 61 -1.230 4.141 -6.880 418 HB2 LEU 61 1HB LEU 61 -1.913 1.771 -5.157 419 HB3 LEU 61 2HB LEU 61 -0.524 1.958 -6.225 420 HG LEU 61 HG LEU 61 -0.980 3.574 -3.718 421 HD11 LEU 61 1HD1 LEU 61 -0.349 1.749 -2.614 422 HD12 LEU 61 2HD1 LEU 61 1.236 1.959 -3.358 423 HD13 LEU 61 3HD1 LEU 61 0.046 0.891 -4.104 424 HD21 LEU 61 1HD2 LEU 61 1.621 3.778 -4.176 425 HD22 LEU 61 2HD2 LEU 61 0.456 4.881 -4.909 426 HD23 LEU 61 3HD2 LEU 61 1.096 3.526 -5.841 427 H LYS 62 H LYS 62 -4.339 4.158 -6.868 428 HA LYS 62 HA LYS 62 -5.211 1.799 -8.135 429 HB2 LYS 62 1HB LYS 62 -6.895 3.180 -7.242 430 HB3 LYS 62 2HB LYS 62 -6.269 4.613 -8.047 431 HG2 LYS 62 1HG LYS 62 -8.170 4.109 -9.263 432 HG3 LYS 62 2HG LYS 62 -6.879 3.390 -10.229 433 HD2 LYS 62 1HD LYS 62 -7.430 1.283 -8.717 434 HD3 LYS 62 2HD LYS 62 -9.000 2.083 -8.604 435 HE2 LYS 62 1HE LYS 62 -9.106 2.162 -11.064 436 HE3 LYS 62 2HE LYS 62 -7.566 1.308 -11.143 437 HZ1 LYS 62 1HZ LYS 62 -9.063 -0.271 -9.534 438 HZ2 LYS 62 2HZ LYS 62 -8.813 -0.522 -11.187 439 HZ3 LYS 62 3HZ LYS 62 -10.204 0.280 -10.654 440 H GLN 63 H GLN 63 -4.635 4.998 -9.613 441 HA GLN 63 HA GLN 63 -4.549 3.859 -12.250 442 HB2 GLN 63 1HB GLN 63 -3.888 6.229 -12.891 443 HB3 GLN 63 2HB GLN 63 -5.462 6.034 -12.133 444 HG2 GLN 63 1HG GLN 63 -4.702 6.917 -10.088 445 HG3 GLN 63 2HG GLN 63 -3.013 6.791 -10.575 446 HE21 GLN 63 1HE2 GLN 63 -5.995 8.228 -11.867 447 HE22 GLN 63 2HE2 GLN 63 -5.295 9.762 -12.240 448 H LYS 64 H LYS 64 -2.206 5.149 -9.946 449 HA LYS 64 HA LYS 64 0.029 4.902 -11.712 450 HB2 LYS 64 1HB LYS 64 -0.017 5.135 -8.698 451 HB3 LYS 64 2HB LYS 64 1.385 5.380 -9.730 452 HG2 LYS 64 1HG LYS 64 0.290 7.300 -10.769 453 HG3 LYS 64 2HG LYS 64 -1.119 7.054 -9.734 454 HD2 LYS 64 1HD LYS 64 0.274 7.428 -7.754 455 HD3 LYS 64 2HD LYS 64 1.681 7.674 -8.790 456 HE2 LYS 64 1HE LYS 64 0.101 9.479 -9.898 457 HE3 LYS 64 2HE LYS 64 -0.668 9.437 -8.313 458 HZ1 LYS 64 1HZ LYS 64 1.812 10.617 -9.091 459 HZ2 LYS 64 2HZ LYS 64 2.006 9.576 -7.772 460 HZ3 LYS 64 3HZ LYS 64 0.903 10.855 -7.685 461 H GLY 65 H GLY 65 1.609 3.325 -11.792 462 HA2 GLY 65 1HA GLY 65 0.862 0.673 -11.457 463 HA3 GLY 65 2HA GLY 65 2.522 1.227 -11.615 464 H TYR 66 H TYR 66 0.170 -0.079 -9.530 465 HA TYR 66 HA TYR 66 1.210 0.662 -7.023 466 HB2 TYR 66 1HB TYR 66 -0.157 -1.050 -6.105 467 HB3 TYR 66 2HB TYR 66 -1.033 -0.428 -7.499 468 HD1 TYR 66 2HD TYR 66 0.852 -3.278 -6.158 469 HD2 TYR 66 1HD TYR 66 -1.391 -1.797 -9.456 470 HE1 TYR 66 2HE TYR 66 0.693 -5.558 -7.066 471 HE2 TYR 66 1HE TYR 66 -1.557 -4.073 -10.373 472 HH TYR 66 HH TYR 66 -0.952 -6.802 -8.640 473 H PHE 67 H PHE 67 2.180 -0.953 -5.465 474 HA PHE 67 HA PHE 67 4.035 -2.822 -6.735 475 HB2 PHE 67 1HB PHE 67 4.790 -0.383 -5.179 476 HB3 PHE 67 2HB PHE 67 5.787 -1.827 -5.030 477 HD1 PHE 67 1HD PHE 67 4.209 0.269 -7.684 478 HD2 PHE 67 2HD PHE 67 7.561 -2.054 -6.465 479 HE1 PHE 67 1HE PHE 67 5.378 0.870 -9.764 480 HE2 PHE 67 2HE PHE 67 8.735 -1.456 -8.542 481 HZ PHE 67 HZ PHE 67 7.644 0.008 -10.195 482 H PHE 68 H PHE 68 5.020 -4.321 -5.220 483 HA PHE 68 HA PHE 68 3.555 -4.554 -2.679 484 HB2 PHE 68 1HB PHE 68 3.822 -6.528 -4.885 485 HB3 PHE 68 2HB PHE 68 3.933 -7.149 -3.241 486 HD1 PHE 68 1HD PHE 68 2.032 -5.971 -1.653 487 HD2 PHE 68 2HD PHE 68 1.755 -6.716 -5.835 488 HE1 PHE 68 1HE PHE 68 -0.422 -5.972 -1.487 489 HE2 PHE 68 2HE PHE 68 -0.700 -6.717 -5.675 490 HZ PHE 68 HZ PHE 68 -1.792 -6.343 -3.499 491 H VAL 69 H VAL 69 5.126 -4.039 -1.263 492 HA VAL 69 HA VAL 69 7.615 -5.613 -1.384 493 HB VAL 69 HB VAL 69 7.329 -2.761 -0.429 494 HG11 VAL 69 1HG1 VAL 69 9.258 -2.991 0.647 495 HG12 VAL 69 2HG1 VAL 69 9.188 -4.725 0.325 496 HG13 VAL 69 3HG1 VAL 69 10.030 -3.652 -0.794 497 HG21 VAL 69 1HG2 VAL 69 9.158 -3.497 -2.633 498 HG22 VAL 69 2HG2 VAL 69 7.432 -3.515 -2.996 499 HG23 VAL 69 3HG2 VAL 69 8.192 -2.040 -2.399 500 H GLU 70 H GLU 70 7.772 -6.966 0.268 501 HA GLU 70 HA GLU 70 7.491 -7.941 2.306 502 HB2 GLU 70 1HB GLU 70 7.589 -5.044 3.157 503 HB3 GLU 70 2HB GLU 70 7.649 -6.399 4.276 504 HG2 GLU 70 1HG GLU 70 9.669 -7.184 2.907 505 HG3 GLU 70 2HG GLU 70 9.679 -5.549 2.248 506 H GLY 71 H GLY 71 5.163 -7.851 0.931 507 HA2 GLY 71 1HA GLY 71 2.896 -8.070 1.206 508 HA3 GLY 71 2HA GLY 71 3.219 -8.156 2.931 509 H GLU 72 H GLU 72 4.116 -5.375 1.021 510 HA GLU 72 HA GLU 72 1.807 -3.887 2.048 511 HB2 GLU 72 1HB GLU 72 3.807 -3.605 3.562 512 HB3 GLU 72 2HB GLU 72 4.630 -2.832 2.214 513 HG2 GLU 72 1HG GLU 72 3.359 -0.944 2.333 514 HG3 GLU 72 2HG GLU 72 1.969 -1.788 3.011 515 H LEU 73 H LEU 73 1.398 -1.881 0.924 516 HA LEU 73 HA LEU 73 2.241 -2.038 -1.874 517 HB2 LEU 73 1HB LEU 73 -0.115 -0.970 -0.436 518 HB3 LEU 73 2HB LEU 73 0.376 -0.120 -1.900 519 HG LEU 73 HG LEU 73 -0.009 -3.078 -1.997 520 HD11 LEU 73 1HD1 LEU 73 -2.127 -2.916 -1.338 521 HD12 LEU 73 2HD1 LEU 73 -2.422 -2.008 -2.820 522 HD13 LEU 73 3HD1 LEU 73 -2.067 -1.154 -1.319 523 HD21 LEU 73 1HD2 LEU 73 -0.699 -0.961 -4.016 524 HD22 LEU 73 2HD2 LEU 73 -0.461 -2.689 -4.277 525 HD23 LEU 73 3HD2 LEU 73 0.916 -1.658 -3.883 526 H TYR 74 H TYR 74 2.886 -0.144 -3.028 527 HA TYR 74 HA TYR 74 3.523 2.267 -1.590 528 HB2 TYR 74 1HB TYR 74 5.707 0.398 -2.509 529 HB3 TYR 74 2HB TYR 74 5.984 2.109 -2.206 530 HD1 TYR 74 2HD TYR 74 5.454 3.000 0.133 531 HD2 TYR 74 1HD TYR 74 5.782 -1.148 -0.753 532 HE1 TYR 74 2HE TYR 74 5.810 2.525 2.520 533 HE2 TYR 74 1HE TYR 74 6.137 -1.635 1.632 534 HH TYR 74 HH TYR 74 5.607 -0.563 3.829 535 H CYS 75 H CYS 75 4.149 3.987 -2.959 536 HA CYS 75 HA CYS 75 3.081 3.805 -5.601 537 HB2 CYS 75 1HB CYS 75 3.794 6.183 -5.785 538 HB3 CYS 75 2HB CYS 75 2.821 5.861 -4.354 539 H GLU 76 H GLU 76 4.290 4.572 -7.534 540 HA GLU 76 HA GLU 76 6.403 2.931 -8.172 541 HB2 GLU 76 1HB GLU 76 4.919 4.449 -9.673 542 HB3 GLU 76 2HB GLU 76 6.171 5.655 -9.413 543 HG2 GLU 76 1HG GLU 76 7.836 4.113 -10.335 544 HG3 GLU 76 2HG GLU 76 6.565 2.926 -10.621 545 H THR 77 H THR 77 6.465 6.089 -6.660 546 HA THR 77 HA THR 77 9.256 6.544 -6.935 547 HB THR 77 HB THR 77 7.346 7.686 -4.886 548 HG1 THR 77 1HG THR 77 6.853 9.158 -6.379 549 HG21 THR 77 1HG2 THR 77 9.771 7.891 -4.328 550 HG22 THR 77 2HG2 THR 77 8.963 9.439 -4.576 551 HG23 THR 77 3HG2 THR 77 9.996 8.772 -5.839 552 H HIS 78 H HIS 78 7.484 5.995 -3.893 553 HA HIS 78 HA HIS 78 9.686 5.273 -2.370 554 HB2 HIS 78 1HB HIS 78 6.751 4.690 -2.124 555 HB3 HIS 78 2HB HIS 78 7.893 3.995 -0.977 556 HD2 HIS 78 2HD HIS 78 9.730 6.472 -0.205 557 HE1 HIS 78 1HE HIS 78 6.124 8.622 0.408 558 HE2 HIS 78 2HE HIS 78 8.613 8.582 0.791 559 H ALA 79 H ALA 79 7.303 3.077 -3.864 560 HA ALA 79 HA ALA 79 8.356 0.653 -3.211 561 HB1 ALA 79 1HB ALA 79 6.314 1.305 -4.705 562 HB2 ALA 79 2HB ALA 79 7.456 1.057 -6.027 563 HB3 ALA 79 3HB ALA 79 7.101 -0.261 -4.909 564 H ARG 80 H ARG 80 9.186 2.419 -6.203 565 HA ARG 80 HA ARG 80 11.133 0.786 -7.198 566 HB2 ARG 80 1HB ARG 80 10.748 3.749 -7.261 567 HB3 ARG 80 2HB ARG 80 12.236 3.075 -7.913 568 HG2 ARG 80 1HG ARG 80 11.031 1.787 -9.521 569 HG3 ARG 80 2HG ARG 80 9.488 2.212 -8.779 570 HD2 ARG 80 1HD ARG 80 9.723 3.578 -10.704 571 HD3 ARG 80 2HD ARG 80 10.015 4.612 -9.306 572 HE ARG 80 HE ARG 80 12.376 3.456 -10.520 573 HH11 ARG 80 2HH1 ARG 80 10.206 6.173 -10.357 574 HH12 ARG 80 1HH1 ARG 80 11.350 7.294 -11.017 575 HH21 ARG 80 2HH2 ARG 80 13.892 4.922 -11.391 576 HH22 ARG 80 1HH2 ARG 80 13.446 6.581 -11.606 577 H ALA 81 H ALA 81 11.489 3.212 -4.650 578 HA ALA 81 HA ALA 81 14.290 2.986 -4.362 579 HB1 ALA 81 1HB ALA 81 13.006 4.886 -3.499 580 HB2 ALA 81 2HB ALA 81 12.251 3.829 -2.306 581 HB3 ALA 81 3HB ALA 81 13.986 4.135 -2.240 582 H ARG 82 H ARG 82 11.609 1.141 -3.092 583 HA ARG 82 HA ARG 82 13.206 -0.259 -1.144 584 HB2 ARG 82 1HB ARG 82 10.433 -0.885 -2.173 585 HB3 ARG 82 2HB ARG 82 11.191 -1.583 -0.748 586 HG2 ARG 82 1HG ARG 82 11.010 0.383 0.470 587 HG3 ARG 82 2HG ARG 82 10.815 1.374 -0.978 588 HD2 ARG 82 1HD ARG 82 8.656 1.321 -0.202 589 HD3 ARG 82 2HD ARG 82 8.648 -0.063 -1.295 590 HE ARG 82 HE ARG 82 8.197 -1.371 0.508 591 HH11 ARG 82 2HH1 ARG 82 9.822 1.499 1.622 592 HH12 ARG 82 1HH1 ARG 82 9.707 1.071 3.297 593 HH21 ARG 82 2HH2 ARG 82 8.040 -1.946 2.710 594 HH22 ARG 82 1HH2 ARG 82 8.694 -0.889 3.915 595 H THR 83 H THR 83 11.331 -1.434 -3.944 596 HA THR 83 HA THR 83 12.688 -3.907 -4.085 597 HB THR 83 HB THR 83 10.475 -3.679 -5.046 598 HG1 THR 83 1HG THR 83 12.459 -4.879 -6.181 599 HG21 THR 83 1HG2 THR 83 10.205 -2.422 -7.204 600 HG22 THR 83 2HG2 THR 83 11.791 -1.708 -6.912 601 HG23 THR 83 3HG2 THR 83 10.467 -1.407 -5.786 602 H SER 84 H SER 84 13.114 -0.842 -5.795 603 HA SER 84 HA SER 84 14.737 -0.080 -7.202 604 HB2 SER 84 1HB SER 84 16.941 -0.332 -6.435 605 HB3 SER 84 2HB SER 84 15.974 -0.582 -4.981 606 HG SER 84 HG SER 84 17.291 -2.287 -4.956 607 H GLY 85 H GLY 85 13.205 -2.256 -8.197 608 HA2 GLY 85 1HA GLY 85 14.253 -2.870 -10.574 609 HA3 GLY 85 2HA GLY 85 15.073 -4.034 -9.544 610 HA PRO 86 HA PRO 86 10.367 -5.139 -9.315 611 HB2 PRO 86 1HB PRO 86 8.725 -3.819 -11.027 612 HB3 PRO 86 2HB PRO 86 9.073 -3.242 -9.393 613 HG2 PRO 86 1HG PRO 86 10.263 -2.379 -12.002 614 HG3 PRO 86 2HG PRO 86 9.737 -1.387 -10.629 615 HD2 PRO 86 1HD PRO 86 12.337 -2.002 -11.071 616 HD3 PRO 86 2HD PRO 86 11.671 -1.784 -9.439 617 H SER 87 H SER 87 12.543 -5.223 -11.643 618 HA SER 87 HA SER 87 11.369 -6.049 -13.999 619 HB2 SER 87 1HB SER 87 13.835 -5.708 -13.566 620 HB3 SER 87 2HB SER 87 13.854 -7.304 -12.818 621 HG SER 87 HG SER 87 12.963 -8.064 -14.878 622 H SER 88 H SER 88 12.111 -7.978 -11.120 623 HA SER 88 HA SER 88 10.485 -10.159 -12.253 624 HB2 SER 88 1HB SER 88 11.777 -11.728 -10.997 625 HB3 SER 88 2HB SER 88 12.928 -10.647 -11.782 626 HG SER 88 HG SER 88 12.841 -11.193 -9.262 627 H GLY 89 H GLY 89 8.747 -10.880 -11.148 628 HA2 GLY 89 1HA GLY 89 7.044 -10.880 -9.608 629 HA3 GLY 89 2HA GLY 89 8.318 -10.766 -8.403 Start of MODEL 8 1 H1 GLY 1 H GLY 1 34.257 -31.319 25.136 2 HA2 GLY 1 1HA GLY 1 33.791 -30.520 22.523 3 HA3 GLY 1 2HA GLY 1 33.440 -32.242 22.574 4 H SER 2 H SER 2 31.269 -31.442 21.954 5 HA SER 2 HA SER 2 29.684 -30.965 24.372 6 HB2 SER 2 1HB SER 2 28.250 -29.358 23.098 7 HB3 SER 2 2HB SER 2 29.888 -28.770 23.378 8 HG SER 2 HG SER 2 29.589 -30.185 21.045 9 H SER 3 H SER 3 27.459 -31.614 24.187 10 HA SER 3 HA SER 3 26.741 -33.214 21.857 11 HB2 SER 3 1HB SER 3 26.378 -35.231 23.027 12 HB3 SER 3 2HB SER 3 27.941 -34.664 23.613 13 HG SER 3 HG SER 3 27.107 -34.306 25.531 14 H GLY 4 H GLY 4 24.541 -33.420 21.537 15 HA2 GLY 4 1HA GLY 4 22.566 -32.885 23.482 16 HA3 GLY 4 2HA GLY 4 22.877 -31.421 22.561 17 H SER 5 H SER 5 20.803 -33.872 22.778 18 HA SER 5 HA SER 5 20.007 -33.609 19.985 19 HB2 SER 5 1HB SER 5 21.463 -35.754 20.480 20 HB3 SER 5 2HB SER 5 19.949 -36.369 21.144 21 HG SER 5 HG SER 5 20.691 -36.052 18.557 22 H SER 6 H SER 6 17.799 -34.451 19.606 23 HA SER 6 HA SER 6 16.121 -34.963 21.887 24 HB2 SER 6 1HB SER 6 16.204 -32.271 20.596 25 HB3 SER 6 2HB SER 6 14.640 -32.903 21.109 26 HG SER 6 HG SER 6 15.538 -33.171 23.205 27 H GLY 7 H GLY 7 13.801 -35.199 21.223 28 HA2 GLY 7 1HA GLY 7 12.918 -35.279 18.589 29 HA3 GLY 7 2HA GLY 7 13.637 -36.848 18.921 30 H VAL 8 H VAL 8 11.455 -34.557 20.575 31 HA VAL 8 HA VAL 8 9.966 -36.779 21.708 32 HB VAL 8 HB VAL 8 10.436 -34.835 23.120 33 HG11 VAL 8 1HG1 VAL 8 8.776 -32.825 22.458 34 HG12 VAL 8 2HG1 VAL 8 10.472 -32.890 21.971 35 HG13 VAL 8 3HG1 VAL 8 9.210 -33.405 20.850 36 HG21 VAL 8 1HG2 VAL 8 8.266 -34.598 24.079 37 HG22 VAL 8 2HG2 VAL 8 7.482 -34.984 22.547 38 HG23 VAL 8 3HG2 VAL 8 8.374 -36.230 23.420 39 H ARG 9 H ARG 9 7.721 -37.095 21.415 40 HA ARG 9 HA ARG 9 6.831 -36.860 18.751 41 HB2 ARG 9 1HB ARG 9 4.707 -37.758 19.577 42 HB3 ARG 9 2HB ARG 9 6.072 -38.650 20.234 43 HG2 ARG 9 1HG ARG 9 4.813 -38.416 22.114 44 HG3 ARG 9 2HG ARG 9 5.791 -36.951 22.226 45 HD2 ARG 9 1HD ARG 9 3.985 -35.673 21.173 46 HD3 ARG 9 2HD ARG 9 3.010 -37.139 21.072 47 HE ARG 9 HE ARG 9 3.600 -35.591 23.468 48 HH11 ARG 9 2HH1 ARG 9 2.203 -38.447 22.049 49 HH12 ARG 9 1HH1 ARG 9 1.225 -38.814 23.431 50 HH21 ARG 9 2HH2 ARG 9 2.317 -36.064 25.293 51 HH22 ARG 9 1HH2 ARG 9 1.290 -37.457 25.276 52 H ALA 10 H ALA 10 4.566 -35.927 18.272 53 HA ALA 10 HA ALA 10 3.899 -33.504 19.696 54 HB1 ALA 10 1HB ALA 10 5.635 -33.405 17.414 55 HB2 ALA 10 2HB ALA 10 4.120 -32.572 17.061 56 HB3 ALA 10 3HB ALA 10 5.085 -32.094 18.458 57 HA PRO 11 HA PRO 11 -0.074 -34.717 18.217 58 HB2 PRO 11 1HB PRO 11 -1.418 -32.424 18.768 59 HB3 PRO 11 2HB PRO 11 -0.920 -33.569 20.019 60 HG2 PRO 11 1HG PRO 11 0.381 -31.011 19.166 61 HG3 PRO 11 2HG PRO 11 0.112 -31.638 20.802 62 HD2 PRO 11 1HD PRO 11 2.504 -31.822 19.546 63 HD3 PRO 11 2HD PRO 11 1.933 -33.047 20.697 64 H VAL 12 H VAL 12 -1.834 -33.869 16.754 65 HA VAL 12 HA VAL 12 -0.837 -32.029 14.700 66 HB VAL 12 HB VAL 12 -1.588 -33.510 12.899 67 HG11 VAL 12 1HG1 VAL 12 0.582 -34.017 12.915 68 HG12 VAL 12 2HG1 VAL 12 0.637 -34.048 14.679 69 HG13 VAL 12 3HG1 VAL 12 0.136 -35.484 13.785 70 HG21 VAL 12 1HG2 VAL 12 -2.610 -35.061 15.155 71 HG22 VAL 12 2HG2 VAL 12 -3.128 -35.036 13.469 72 HG23 VAL 12 3HG2 VAL 12 -1.754 -36.030 13.955 73 H THR 13 H THR 13 -2.447 -30.987 13.488 74 HA THR 13 HA THR 13 -5.064 -30.960 14.800 75 HB THR 13 HB THR 13 -5.440 -28.837 13.612 76 HG1 THR 13 1HG THR 13 -2.754 -28.816 12.775 77 HG21 THR 13 1HG2 THR 13 -4.523 -28.490 15.730 78 HG22 THR 13 2HG2 THR 13 -3.445 -27.580 14.671 79 HG23 THR 13 3HG2 THR 13 -2.962 -29.167 15.270 80 H LYS 14 H LYS 14 -7.012 -30.843 13.516 81 HA LYS 14 HA LYS 14 -6.827 -31.786 10.763 82 HB2 LYS 14 1HB LYS 14 -7.938 -33.358 13.045 83 HB3 LYS 14 2HB LYS 14 -8.744 -33.466 11.486 84 HG2 LYS 14 1HG LYS 14 -5.806 -33.976 11.869 85 HG3 LYS 14 2HG LYS 14 -7.038 -35.239 11.935 86 HD2 LYS 14 1HD LYS 14 -6.722 -33.394 9.578 87 HD3 LYS 14 2HD LYS 14 -5.858 -34.927 9.712 88 HE2 LYS 14 1HE LYS 14 -7.937 -36.141 9.813 89 HE3 LYS 14 2HE LYS 14 -8.856 -34.637 9.853 90 HZ1 LYS 14 1HZ LYS 14 -8.197 -36.068 7.623 91 HZ2 LYS 14 2HZ LYS 14 -7.108 -34.773 7.598 92 HZ3 LYS 14 3HZ LYS 14 -8.773 -34.477 7.652 93 H VAL 15 H VAL 15 -7.973 -30.300 9.715 94 HA VAL 15 HA VAL 15 -10.525 -29.408 10.892 95 HB VAL 15 HB VAL 15 -8.729 -27.930 8.962 96 HG11 VAL 15 1HG1 VAL 15 -10.371 -26.468 8.564 97 HG12 VAL 15 2HG1 VAL 15 -11.459 -27.714 9.180 98 HG13 VAL 15 3HG1 VAL 15 -10.876 -26.441 10.253 99 HG21 VAL 15 1HG2 VAL 15 -8.568 -26.316 10.891 100 HG22 VAL 15 2HG2 VAL 15 -9.309 -27.563 11.895 101 HG23 VAL 15 3HG2 VAL 15 -7.750 -27.861 11.125 102 H HIS 16 H HIS 16 -12.218 -30.308 9.935 103 HA HIS 16 HA HIS 16 -12.477 -30.253 7.063 104 HB2 HIS 16 1HB HIS 16 -12.745 -32.588 6.692 105 HB3 HIS 16 2HB HIS 16 -11.242 -32.402 7.591 106 HD1 HIS 16 1HD HIS 16 -13.674 -34.755 7.452 107 HD2 HIS 16 2HD HIS 16 -12.304 -32.450 10.625 108 HE1 HIS 16 1HE HIS 16 -14.310 -36.024 9.528 109 HE2 HIS 16 2HE HIS 16 -13.546 -34.569 11.437 110 H GLY 17 H GLY 17 -14.624 -30.504 6.352 111 HA2 GLY 17 1HA GLY 17 -16.932 -31.040 6.744 112 HA3 GLY 17 2HA GLY 17 -16.652 -30.809 8.464 113 H GLY 18 H GLY 18 -17.149 -29.204 5.387 114 HA2 GLY 18 1HA GLY 18 -18.770 -27.261 5.754 115 HA3 GLY 18 2HA GLY 18 -17.511 -26.650 6.816 116 H ALA 19 H ALA 19 -18.627 -26.909 3.595 117 HA ALA 19 HA ALA 19 -16.112 -25.895 2.493 118 HB1 ALA 19 1HB ALA 19 -18.623 -26.938 1.207 119 HB2 ALA 19 2HB ALA 19 -17.326 -26.167 0.293 120 HB3 ALA 19 3HB ALA 19 -17.009 -27.651 1.191 121 H GLY 20 H GLY 20 -16.182 -24.047 1.006 122 HA2 GLY 20 1HA GLY 20 -17.244 -22.065 0.194 123 HA3 GLY 20 2HA GLY 20 -18.392 -22.178 1.520 124 H SER 21 H SER 21 -17.300 -19.776 1.077 125 HA SER 21 HA SER 21 -15.056 -19.489 2.941 126 HB2 SER 21 1HB SER 21 -16.264 -17.555 0.951 127 HB3 SER 21 2HB SER 21 -14.949 -17.147 2.053 128 HG SER 21 HG SER 21 -14.830 -19.307 0.223 129 H ALA 22 H ALA 22 -15.254 -18.527 4.878 130 HA ALA 22 HA ALA 22 -17.598 -18.337 6.253 131 HB1 ALA 22 1HB ALA 22 -16.405 -16.732 7.772 132 HB2 ALA 22 2HB ALA 22 -15.541 -18.234 7.437 133 HB3 ALA 22 3HB ALA 22 -15.071 -16.744 6.619 134 H GLN 23 H GLN 23 -15.983 -15.680 4.524 135 HA GLN 23 HA GLN 23 -18.417 -14.067 4.831 136 HB2 GLN 23 1HB GLN 23 -16.995 -12.160 4.146 137 HB3 GLN 23 2HB GLN 23 -16.403 -12.962 5.595 138 HG2 GLN 23 1HG GLN 23 -14.812 -14.224 4.117 139 HG3 GLN 23 2HG GLN 23 -15.304 -13.153 2.806 140 HE21 GLN 23 1HE2 GLN 23 -12.680 -13.373 3.752 141 HE22 GLN 23 2HE2 GLN 23 -12.226 -11.863 4.459 142 H ARG 24 H ARG 24 -19.464 -13.172 3.067 143 HA ARG 24 HA ARG 24 -19.010 -14.568 0.549 144 HB2 ARG 24 1HB ARG 24 -21.264 -12.783 1.480 145 HB3 ARG 24 2HB ARG 24 -21.192 -13.542 -0.105 146 HG2 ARG 24 1HG ARG 24 -21.556 -15.657 0.742 147 HG3 ARG 24 2HG ARG 24 -20.996 -15.218 2.357 148 HD2 ARG 24 1HD ARG 24 -23.411 -13.863 1.264 149 HD3 ARG 24 2HD ARG 24 -23.560 -15.528 1.826 150 HE ARG 24 HE ARG 24 -23.095 -13.172 3.445 151 HH11 ARG 24 2HH1 ARG 24 -23.056 -16.648 3.261 152 HH12 ARG 24 1HH1 ARG 24 -23.156 -16.870 4.976 153 HH21 ARG 24 2HH2 ARG 24 -23.227 -13.451 5.705 154 HH22 ARG 24 1HH2 ARG 24 -23.254 -15.051 6.365 155 H MET 25 H MET 25 -17.406 -12.208 1.678 156 HA MET 25 HA MET 25 -16.970 -10.928 -0.837 157 HB2 MET 25 1HB MET 25 -17.680 -8.736 -0.375 158 HB3 MET 25 2HB MET 25 -19.016 -9.750 0.153 159 HG2 MET 25 1HG MET 25 -16.907 -8.572 1.947 160 HG3 MET 25 2HG MET 25 -18.536 -7.938 1.724 161 HE1 MET 25 1HE MET 25 -17.489 -10.326 5.130 162 HE2 MET 25 2HE MET 25 -16.317 -9.880 3.889 163 HE3 MET 25 3HE MET 25 -17.333 -8.641 4.629 164 HA PRO 26 HA PRO 26 -12.983 -10.396 0.924 165 HB2 PRO 26 1HB PRO 26 -12.066 -8.283 -0.512 166 HB3 PRO 26 2HB PRO 26 -12.249 -9.902 -1.196 167 HG2 PRO 26 1HG PRO 26 -14.069 -7.535 -1.416 168 HG3 PRO 26 2HG PRO 26 -13.574 -8.686 -2.671 169 HD2 PRO 26 1HD PRO 26 -15.968 -8.841 -1.415 170 HD3 PRO 26 2HD PRO 26 -15.096 -10.277 -1.990 171 H LEU 27 H LEU 27 -12.011 -9.330 2.579 172 HA LEU 27 HA LEU 27 -13.389 -6.957 3.613 173 HB2 LEU 27 1HB LEU 27 -12.783 -9.225 4.894 174 HB3 LEU 27 2HB LEU 27 -11.300 -8.325 5.204 175 HG LEU 27 HG LEU 27 -12.857 -8.108 7.058 176 HD11 LEU 27 1HD1 LEU 27 -11.609 -6.007 5.682 177 HD12 LEU 27 2HD1 LEU 27 -12.081 -6.058 7.380 178 HD13 LEU 27 3HD1 LEU 27 -13.190 -5.402 6.177 179 HD21 LEU 27 1HD2 LEU 27 -14.841 -6.411 5.992 180 HD22 LEU 27 2HD2 LEU 27 -15.043 -8.016 6.695 181 HD23 LEU 27 3HD2 LEU 27 -14.775 -7.839 4.960 182 H CYS 28 H CYS 28 -12.490 -5.030 3.368 183 HA CYS 28 HA CYS 28 -10.106 -4.513 2.075 184 HB2 CYS 28 1HB CYS 28 -11.983 -2.885 2.546 185 HB3 CYS 28 2HB CYS 28 -11.322 -2.706 4.168 186 H ASP 29 H ASP 29 -8.099 -4.999 2.633 187 HA ASP 29 HA ASP 29 -7.364 -5.613 5.330 188 HB2 ASP 29 1HB ASP 29 -6.414 -6.499 3.021 189 HB3 ASP 29 2HB ASP 29 -5.306 -5.143 3.218 190 H LYS 30 H LYS 30 -7.957 -2.739 3.977 191 HA LYS 30 HA LYS 30 -5.697 -1.328 5.190 192 HB2 LYS 30 1HB LYS 30 -6.331 -0.696 2.901 193 HB3 LYS 30 2HB LYS 30 -7.950 -0.293 3.457 194 HG2 LYS 30 1HG LYS 30 -7.132 1.788 3.569 195 HG3 LYS 30 2HG LYS 30 -6.456 1.244 5.106 196 HD2 LYS 30 1HD LYS 30 -4.410 0.527 3.789 197 HD3 LYS 30 2HD LYS 30 -5.087 1.429 2.431 198 HE2 LYS 30 1HE LYS 30 -4.676 2.675 5.135 199 HE3 LYS 30 2HE LYS 30 -3.399 2.633 3.921 200 HZ1 LYS 30 1HZ LYS 30 -4.310 4.357 2.902 201 HZ2 LYS 30 2HZ LYS 30 -5.453 4.478 4.143 202 HZ3 LYS 30 3HZ LYS 30 -5.798 3.565 2.761 203 H CYS 31 H CYS 31 -9.257 -1.092 5.133 204 HA CYS 31 HA CYS 31 -9.127 0.091 7.827 205 HB2 CYS 31 1HB CYS 31 -11.265 1.154 7.353 206 HB3 CYS 31 2HB CYS 31 -10.100 1.566 6.098 207 H GLY 32 H GLY 32 -9.395 -2.804 6.655 208 HA2 GLY 32 1HA GLY 32 -10.634 -4.711 7.095 209 HA3 GLY 32 2HA GLY 32 -10.517 -4.101 8.739 210 H SER 33 H SER 33 -12.351 -2.934 5.924 211 HA SER 33 HA SER 33 -14.815 -3.325 7.493 212 HB2 SER 33 1HB SER 33 -14.114 -0.996 5.690 213 HB3 SER 33 2HB SER 33 -15.702 -1.263 6.408 214 HG SER 33 HG SER 33 -13.267 -0.874 7.817 215 H GLY 34 H GLY 34 -16.241 -4.619 6.547 216 HA2 GLY 34 1HA GLY 34 -16.037 -6.110 4.357 217 HA3 GLY 34 2HA GLY 34 -17.592 -5.442 4.831 218 H ILE 35 H ILE 35 -16.256 -6.027 2.171 219 HA ILE 35 HA ILE 35 -16.508 -3.335 1.000 220 HB ILE 35 HB ILE 35 -15.095 -5.744 -0.149 221 HG12 ILE 35 1HG1 ILE 35 -13.785 -3.185 0.727 222 HG13 ILE 35 2HG1 ILE 35 -14.090 -4.476 1.884 223 HG21 ILE 35 1HG2 ILE 35 -15.028 -4.685 -2.100 224 HG22 ILE 35 2HG2 ILE 35 -16.154 -3.501 -1.438 225 HG23 ILE 35 3HG2 ILE 35 -14.416 -3.217 -1.338 226 HD11 ILE 35 1HD1 ILE 35 -12.485 -4.766 -0.644 227 HD12 ILE 35 2HD1 ILE 35 -11.816 -4.533 0.972 228 HD13 ILE 35 3HD1 ILE 35 -12.727 -5.995 0.597 229 H VAL 36 H VAL 36 -18.163 -2.941 -0.318 230 HA VAL 36 HA VAL 36 -19.368 -5.048 -1.896 231 HB VAL 36 HB VAL 36 -20.997 -3.582 0.184 232 HG11 VAL 36 1HG1 VAL 36 -21.771 -4.589 -2.334 233 HG12 VAL 36 2HG1 VAL 36 -22.405 -5.698 -1.116 234 HG13 VAL 36 3HG1 VAL 36 -22.804 -3.981 -1.041 235 HG21 VAL 36 1HG2 VAL 36 -19.872 -5.334 1.278 236 HG22 VAL 36 2HG2 VAL 36 -21.476 -5.972 0.919 237 HG23 VAL 36 3HG2 VAL 36 -20.099 -6.438 -0.079 238 H GLY 37 H GLY 37 -19.736 -4.216 -3.839 239 HA2 GLY 37 1HA GLY 37 -21.034 -2.603 -5.147 240 HA3 GLY 37 2HA GLY 37 -20.502 -1.368 -4.016 241 H ALA 38 H ALA 38 -17.882 -1.577 -3.827 242 HA ALA 38 HA ALA 38 -16.710 -1.857 -6.479 243 HB1 ALA 38 1HB ALA 38 -15.958 0.682 -5.225 244 HB2 ALA 38 2HB ALA 38 -16.321 0.309 -6.910 245 HB3 ALA 38 3HB ALA 38 -17.634 0.603 -5.770 246 H VAL 39 H VAL 39 -14.768 -2.766 -6.322 247 HA VAL 39 HA VAL 39 -13.145 -2.290 -3.925 248 HB VAL 39 HB VAL 39 -14.509 -4.544 -3.961 249 HG11 VAL 39 1HG1 VAL 39 -12.083 -5.665 -5.230 250 HG12 VAL 39 2HG1 VAL 39 -13.746 -6.255 -5.238 251 HG13 VAL 39 3HG1 VAL 39 -13.275 -4.928 -6.300 252 HG21 VAL 39 1HG2 VAL 39 -11.571 -4.620 -3.308 253 HG22 VAL 39 2HG2 VAL 39 -12.759 -3.765 -2.324 254 HG23 VAL 39 3HG2 VAL 39 -12.879 -5.512 -2.529 255 H VAL 40 H VAL 40 -10.873 -2.935 -4.210 256 HA VAL 40 HA VAL 40 -10.029 -2.995 -7.027 257 HB VAL 40 HB VAL 40 -8.857 -1.238 -4.867 258 HG11 VAL 40 1HG1 VAL 40 -7.170 -2.284 -6.388 259 HG12 VAL 40 2HG1 VAL 40 -7.971 -1.475 -7.737 260 HG13 VAL 40 3HG1 VAL 40 -7.223 -0.522 -6.454 261 HG21 VAL 40 1HG2 VAL 40 -10.708 -0.086 -5.635 262 HG22 VAL 40 2HG2 VAL 40 -9.439 0.511 -6.704 263 HG23 VAL 40 3HG2 VAL 40 -10.559 -0.727 -7.272 264 H LYS 41 H LYS 41 -9.261 -5.032 -7.134 265 HA LYS 41 HA LYS 41 -7.367 -5.912 -5.061 266 HB2 LYS 41 1HB LYS 41 -8.866 -7.630 -5.100 267 HB3 LYS 41 2HB LYS 41 -9.347 -7.315 -6.762 268 HG2 LYS 41 1HG LYS 41 -6.985 -8.219 -7.345 269 HG3 LYS 41 2HG LYS 41 -7.055 -8.924 -5.728 270 HD2 LYS 41 1HD LYS 41 -9.428 -9.728 -6.565 271 HD3 LYS 41 2HD LYS 41 -8.674 -9.542 -8.150 272 HE2 LYS 41 1HE LYS 41 -6.725 -10.893 -6.972 273 HE3 LYS 41 2HE LYS 41 -8.052 -11.448 -5.952 274 HZ1 LYS 41 1HZ LYS 41 -7.548 -11.954 -8.787 275 HZ2 LYS 41 2HZ LYS 41 -9.161 -11.823 -8.295 276 HZ3 LYS 41 3HZ LYS 41 -8.156 -12.990 -7.595 277 H ALA 42 H ALA 42 -5.284 -5.897 -5.557 278 HA ALA 42 HA ALA 42 -4.409 -5.416 -8.259 279 HB1 ALA 42 1HB ALA 42 -2.106 -5.586 -7.139 280 HB2 ALA 42 2HB ALA 42 -3.162 -4.255 -6.665 281 HB3 ALA 42 3HB ALA 42 -3.003 -5.668 -5.622 282 H ARG 43 H ARG 43 -2.958 -7.730 -6.003 283 HA ARG 43 HA ARG 43 -2.727 -9.640 -8.210 284 HB2 ARG 43 1HB ARG 43 -1.272 -9.260 -5.616 285 HB3 ARG 43 2HB ARG 43 -1.224 -10.818 -6.430 286 HG2 ARG 43 1HG ARG 43 0.000 -10.016 -8.197 287 HG3 ARG 43 2HG ARG 43 -0.564 -8.358 -7.973 288 HD2 ARG 43 1HD ARG 43 0.785 -8.174 -5.943 289 HD3 ARG 43 2HD ARG 43 1.338 -9.834 -6.156 290 HE ARG 43 HE ARG 43 1.867 -8.017 -8.356 291 HH11 ARG 43 2HH1 ARG 43 3.049 -9.563 -5.469 292 HH12 ARG 43 1HH1 ARG 43 4.718 -9.328 -5.869 293 HH21 ARG 43 2HH2 ARG 43 4.061 -7.701 -8.894 294 HH22 ARG 43 1HH2 ARG 43 5.293 -8.268 -7.817 295 H ASP 44 H ASP 44 -2.902 -10.296 -4.739 296 HA ASP 44 HA ASP 44 -5.188 -12.079 -5.272 297 HB2 ASP 44 1HB ASP 44 -4.302 -13.356 -3.231 298 HB3 ASP 44 2HB ASP 44 -3.394 -13.507 -4.733 299 H LYS 45 H LYS 45 -3.932 -9.493 -3.400 300 HA LYS 45 HA LYS 45 -5.949 -9.727 -1.322 301 HB2 LYS 45 1HB LYS 45 -3.565 -8.003 -1.796 302 HB3 LYS 45 2HB LYS 45 -4.844 -7.370 -0.769 303 HG2 LYS 45 1HG LYS 45 -4.620 -9.682 0.430 304 HG3 LYS 45 2HG LYS 45 -3.024 -9.685 -0.324 305 HD2 LYS 45 1HD LYS 45 -4.049 -7.370 1.302 306 HD3 LYS 45 2HD LYS 45 -3.168 -8.721 2.019 307 HE2 LYS 45 1HE LYS 45 -2.058 -7.197 -0.313 308 HE3 LYS 45 2HE LYS 45 -1.851 -6.616 1.338 309 HZ1 LYS 45 1HZ LYS 45 0.045 -7.903 0.761 310 HZ2 LYS 45 2HZ LYS 45 -0.903 -9.193 0.215 311 HZ3 LYS 45 3HZ LYS 45 -0.859 -8.816 1.863 312 H TYR 46 H TYR 46 -7.201 -7.695 -0.764 313 HA TYR 46 HA TYR 46 -8.068 -6.283 -3.195 314 HB2 TYR 46 1HB TYR 46 -9.888 -7.411 -1.058 315 HB3 TYR 46 2HB TYR 46 -10.403 -6.452 -2.441 316 HD1 TYR 46 1HD TYR 46 -8.330 -9.508 -1.819 317 HD2 TYR 46 2HD TYR 46 -11.328 -7.631 -4.184 318 HE1 TYR 46 1HE TYR 46 -8.557 -11.563 -3.152 319 HE2 TYR 46 2HE TYR 46 -11.563 -9.680 -5.523 320 HH TYR 46 HH TYR 46 -9.799 -12.627 -4.698 321 H ARG 47 H ARG 47 -8.817 -4.172 -2.907 322 HA ARG 47 HA ARG 47 -8.772 -3.026 -0.230 323 HB2 ARG 47 1HB ARG 47 -6.999 -1.996 -2.453 324 HB3 ARG 47 2HB ARG 47 -7.224 -1.230 -0.886 325 HG2 ARG 47 1HG ARG 47 -6.296 -4.050 -0.948 326 HG3 ARG 47 2HG ARG 47 -5.155 -2.777 -1.388 327 HD2 ARG 47 1HD ARG 47 -5.561 -1.661 0.737 328 HD3 ARG 47 2HD ARG 47 -6.748 -2.891 1.171 329 HE ARG 47 HE ARG 47 -5.005 -4.424 1.511 330 HH11 ARG 47 2HH1 ARG 47 -3.841 -1.297 0.517 331 HH12 ARG 47 1HH1 ARG 47 -2.208 -1.605 1.007 332 HH21 ARG 47 2HH2 ARG 47 -2.859 -4.841 2.160 333 HH22 ARG 47 1HH2 ARG 47 -1.650 -3.621 1.940 334 H HIS 48 H HIS 48 -10.016 -1.193 -0.016 335 HA HIS 48 HA HIS 48 -12.150 -0.817 -1.751 336 HB2 HIS 48 1HB HIS 48 -10.989 0.740 0.508 337 HB3 HIS 48 2HB HIS 48 -12.170 1.547 -0.520 338 HD2 HIS 48 2HD HIS 48 -14.266 -0.969 -0.868 339 HE1 HIS 48 1HE HIS 48 -14.403 -0.858 3.371 340 HE2 HIS 48 2HE HIS 48 -15.493 -1.734 1.276 341 HA PRO 49 HA PRO 49 -10.814 1.799 -5.008 342 HB2 PRO 49 1HB PRO 49 -12.885 3.534 -5.274 343 HB3 PRO 49 2HB PRO 49 -12.987 1.836 -5.753 344 HG2 PRO 49 1HG PRO 49 -13.961 3.160 -3.251 345 HG3 PRO 49 2HG PRO 49 -14.766 1.943 -4.259 346 HD2 PRO 49 1HD PRO 49 -13.500 1.315 -1.950 347 HD3 PRO 49 2HD PRO 49 -13.573 0.203 -3.331 348 H GLU 50 H GLU 50 -11.318 3.077 -1.892 349 HA GLU 50 HA GLU 50 -9.972 5.586 -2.656 350 HB2 GLU 50 1HB GLU 50 -11.030 6.650 -0.736 351 HB3 GLU 50 2HB GLU 50 -12.246 5.958 -1.801 352 HG2 GLU 50 1HG GLU 50 -12.287 3.960 -0.273 353 HG3 GLU 50 2HG GLU 50 -11.295 4.898 0.843 354 H CYS 51 H CYS 51 -9.957 2.786 -0.630 355 HA CYS 51 HA CYS 51 -8.026 3.735 1.254 356 HB2 CYS 51 1HB CYS 51 -9.049 0.982 0.561 357 HB3 CYS 51 2HB CYS 51 -7.818 1.253 1.790 358 H PHE 52 H PHE 52 -7.905 1.953 -1.774 359 HA PHE 52 HA PHE 52 -5.313 1.006 -1.741 360 HB2 PHE 52 1HB PHE 52 -7.250 0.907 -3.561 361 HB3 PHE 52 2HB PHE 52 -6.315 2.216 -4.275 362 HD1 PHE 52 2HD PHE 52 -5.327 -0.930 -2.534 363 HD2 PHE 52 1HD PHE 52 -5.148 1.415 -6.081 364 HE1 PHE 52 2HE PHE 52 -3.801 -2.577 -3.541 365 HE2 PHE 52 1HE PHE 52 -3.623 -0.228 -7.095 366 HZ PHE 52 HZ PHE 52 -2.947 -2.227 -5.824 367 H VAL 53 H VAL 53 -3.680 2.223 -0.972 368 HA VAL 53 HA VAL 53 -2.750 4.422 -2.590 369 HB VAL 53 HB VAL 53 -2.626 6.072 -0.825 370 HG11 VAL 53 1HG1 VAL 53 -5.030 6.549 -0.529 371 HG12 VAL 53 2HG1 VAL 53 -4.624 6.108 -2.189 372 HG13 VAL 53 3HG1 VAL 53 -5.402 4.933 -1.128 373 HG21 VAL 53 1HG2 VAL 53 -2.358 4.761 1.128 374 HG22 VAL 53 2HG2 VAL 53 -3.875 5.637 1.327 375 HG23 VAL 53 3HG2 VAL 53 -3.894 3.934 0.871 376 H CYS 54 H CYS 54 -0.705 5.406 -1.427 377 HA CYS 54 HA CYS 54 1.097 3.220 -1.047 378 HB2 CYS 54 1HB CYS 54 1.691 5.368 -2.194 379 HB3 CYS 54 2HB CYS 54 1.629 6.166 -0.626 380 H ALA 55 H ALA 55 2.661 3.191 0.805 381 HA ALA 55 HA ALA 55 1.175 3.541 3.315 382 HB1 ALA 55 1HB ALA 55 3.600 1.822 2.818 383 HB2 ALA 55 2HB ALA 55 2.579 1.833 4.256 384 HB3 ALA 55 3HB ALA 55 1.933 1.253 2.720 385 H ASP 56 H ASP 56 3.535 5.028 1.530 386 HA ASP 56 HA ASP 56 4.930 6.047 3.913 387 HB2 ASP 56 1HB ASP 56 5.782 5.487 1.142 388 HB3 ASP 56 2HB ASP 56 6.402 6.986 1.828 389 H CYS 57 H CYS 57 3.323 7.013 0.917 390 HA CYS 57 HA CYS 57 3.105 9.745 2.003 391 HB2 CYS 57 1HB CYS 57 2.864 10.472 -0.391 392 HB3 CYS 57 2HB CYS 57 4.449 9.824 0.020 393 H ASN 58 H ASN 58 1.446 6.956 0.986 394 HA ASN 58 HA ASN 58 -0.765 6.414 0.964 395 HB2 ASN 58 1HB ASN 58 -0.659 8.161 2.957 396 HB3 ASN 58 2HB ASN 58 -1.601 9.143 1.839 397 HD21 ASN 58 1HD2 ASN 58 -1.497 6.065 3.527 398 HD22 ASN 58 2HD2 ASN 58 -3.205 5.804 3.540 399 H LEU 59 H LEU 59 0.359 7.215 -1.401 400 HA LEU 59 HA LEU 59 -1.478 9.091 -2.667 401 HB2 LEU 59 1HB LEU 59 1.148 8.745 -3.013 402 HB3 LEU 59 2HB LEU 59 0.561 7.629 -4.244 403 HG LEU 59 HG LEU 59 -0.071 10.576 -4.091 404 HD11 LEU 59 1HD1 LEU 59 1.269 10.596 -6.229 405 HD12 LEU 59 2HD1 LEU 59 1.830 8.983 -5.790 406 HD13 LEU 59 3HD1 LEU 59 2.188 10.356 -4.742 407 HD21 LEU 59 1HD2 LEU 59 -1.016 8.357 -5.848 408 HD22 LEU 59 2HD2 LEU 59 -0.832 9.978 -6.518 409 HD23 LEU 59 3HD2 LEU 59 -1.917 9.705 -5.154 410 H ASN 60 H ASN 60 -3.023 8.550 -4.123 411 HA ASN 60 HA ASN 60 -4.131 5.982 -4.094 412 HB2 ASN 60 1HB ASN 60 -4.557 8.440 -5.737 413 HB3 ASN 60 2HB ASN 60 -5.286 6.932 -6.284 414 HD21 ASN 60 1HD2 ASN 60 -6.548 5.745 -4.602 415 HD22 ASN 60 2HD2 ASN 60 -7.523 6.689 -3.534 416 H LEU 61 H LEU 61 -2.988 4.267 -4.773 417 HA LEU 61 HA LEU 61 -1.295 4.402 -7.108 418 HB2 LEU 61 1HB LEU 61 -2.058 1.945 -5.551 419 HB3 LEU 61 2HB LEU 61 -0.648 2.177 -6.583 420 HG LEU 61 HG LEU 61 -1.111 3.593 -3.959 421 HD11 LEU 61 1HD1 LEU 61 1.120 1.791 -4.003 422 HD12 LEU 61 2HD1 LEU 61 -0.365 0.929 -4.404 423 HD13 LEU 61 3HD1 LEU 61 -0.256 1.844 -2.900 424 HD21 LEU 61 1HD2 LEU 61 1.517 3.776 -4.418 425 HD22 LEU 61 2HD2 LEU 61 0.360 4.993 -4.959 426 HD23 LEU 61 3HD2 LEU 61 0.937 3.763 -6.084 427 H LYS 62 H LYS 62 -4.547 3.612 -6.425 428 HA LYS 62 HA LYS 62 -5.388 1.670 -8.043 429 HB2 LYS 62 1HB LYS 62 -7.050 2.940 -6.960 430 HB3 LYS 62 2HB LYS 62 -6.518 4.438 -7.713 431 HG2 LYS 62 1HG LYS 62 -8.495 3.918 -8.817 432 HG3 LYS 62 2HG LYS 62 -7.234 3.364 -9.922 433 HD2 LYS 62 1HD LYS 62 -7.561 1.110 -8.561 434 HD3 LYS 62 2HD LYS 62 -9.164 1.798 -8.292 435 HE2 LYS 62 1HE LYS 62 -8.060 1.801 -11.056 436 HE3 LYS 62 2HE LYS 62 -8.642 0.277 -10.388 437 HZ1 LYS 62 1HZ LYS 62 -10.788 1.063 -10.236 438 HZ2 LYS 62 2HZ LYS 62 -10.264 1.790 -11.670 439 HZ3 LYS 62 3HZ LYS 62 -10.324 2.690 -10.239 440 H GLN 63 H GLN 63 -5.049 4.977 -9.345 441 HA GLN 63 HA GLN 63 -5.031 3.991 -12.047 442 HB2 GLN 63 1HB GLN 63 -4.585 6.427 -12.590 443 HB3 GLN 63 2HB GLN 63 -6.088 6.087 -11.743 444 HG2 GLN 63 1HG GLN 63 -5.187 6.863 -9.678 445 HG3 GLN 63 2HG GLN 63 -3.572 6.996 -10.373 446 HE21 GLN 63 1HE2 GLN 63 -6.874 8.167 -10.926 447 HE22 GLN 63 2HE2 GLN 63 -6.415 9.777 -11.353 448 H LYS 64 H LYS 64 -2.667 5.423 -9.833 449 HA LYS 64 HA LYS 64 -0.518 5.431 -11.688 450 HB2 LYS 64 1HB LYS 64 -0.523 5.479 -8.665 451 HB3 LYS 64 2HB LYS 64 0.904 5.737 -9.660 452 HG2 LYS 64 1HG LYS 64 -0.250 7.683 -10.696 453 HG3 LYS 64 2HG LYS 64 -1.559 7.462 -9.533 454 HD2 LYS 64 1HD LYS 64 -0.030 7.834 -7.692 455 HD3 LYS 64 2HD LYS 64 1.331 7.944 -8.810 456 HE2 LYS 64 1HE LYS 64 -1.040 9.808 -8.770 457 HE3 LYS 64 2HE LYS 64 0.530 10.152 -8.045 458 HZ1 LYS 64 1HZ LYS 64 0.116 9.571 -10.926 459 HZ2 LYS 64 2HZ LYS 64 1.551 10.081 -10.189 460 HZ3 LYS 64 3HZ LYS 64 0.226 11.130 -10.278 461 H GLY 65 H GLY 65 1.607 4.210 -10.878 462 HA2 GLY 65 1HA GLY 65 1.014 1.411 -11.254 463 HA3 GLY 65 2HA GLY 65 2.611 2.138 -11.165 464 H TYR 66 H TYR 66 0.453 0.145 -9.615 465 HA TYR 66 HA TYR 66 1.171 0.779 -6.900 466 HB2 TYR 66 1HB TYR 66 -0.257 -0.994 -6.261 467 HB3 TYR 66 2HB TYR 66 -1.026 -0.269 -7.669 468 HD1 TYR 66 1HD TYR 66 -0.999 -1.440 -9.838 469 HD2 TYR 66 2HD TYR 66 0.586 -3.239 -6.323 470 HE1 TYR 66 1HE TYR 66 -1.051 -3.635 -10.945 471 HE2 TYR 66 2HE TYR 66 0.539 -5.439 -7.421 472 HH TYR 66 HH TYR 66 0.603 -6.256 -9.910 473 H PHE 67 H PHE 67 2.253 -0.724 -5.463 474 HA PHE 67 HA PHE 67 4.061 -2.622 -6.768 475 HB2 PHE 67 1HB PHE 67 4.842 -0.190 -5.222 476 HB3 PHE 67 2HB PHE 67 5.825 -1.641 -5.050 477 HD1 PHE 67 1HD PHE 67 4.248 0.366 -7.776 478 HD2 PHE 67 2HD PHE 67 7.637 -1.833 -6.435 479 HE1 PHE 67 1HE PHE 67 5.433 0.929 -9.857 480 HE2 PHE 67 2HE PHE 67 8.827 -1.273 -8.514 481 HZ PHE 67 HZ PHE 67 7.726 0.110 -10.228 482 H PHE 68 H PHE 68 5.015 -4.168 -5.305 483 HA PHE 68 HA PHE 68 3.567 -4.419 -2.754 484 HB2 PHE 68 1HB PHE 68 3.883 -6.375 -4.971 485 HB3 PHE 68 2HB PHE 68 3.976 -7.002 -3.329 486 HD1 PHE 68 1HD PHE 68 2.048 -6.710 -1.792 487 HD2 PHE 68 2HD PHE 68 1.825 -5.723 -5.926 488 HE1 PHE 68 1HE PHE 68 -0.409 -6.739 -1.662 489 HE2 PHE 68 2HE PHE 68 -0.632 -5.749 -5.803 490 HZ PHE 68 HZ PHE 68 -1.752 -6.257 -3.670 491 H VAL 69 H VAL 69 5.111 -3.912 -1.310 492 HA VAL 69 HA VAL 69 7.670 -5.368 -1.489 493 HB VAL 69 HB VAL 69 7.174 -2.644 -0.278 494 HG11 VAL 69 1HG1 VAL 69 9.105 -4.530 0.412 495 HG12 VAL 69 2HG1 VAL 69 9.939 -3.386 -0.642 496 HG13 VAL 69 3HG1 VAL 69 9.110 -2.811 0.805 497 HG21 VAL 69 1HG2 VAL 69 9.087 -3.106 -2.501 498 HG22 VAL 69 2HG2 VAL 69 7.365 -3.100 -2.885 499 HG23 VAL 69 3HG2 VAL 69 8.104 -1.689 -2.128 500 H GLU 70 H GLU 70 7.386 -7.060 -0.145 501 HA GLU 70 HA GLU 70 7.205 -8.221 1.804 502 HB2 GLU 70 1HB GLU 70 7.281 -5.496 3.112 503 HB3 GLU 70 2HB GLU 70 7.526 -7.037 3.922 504 HG2 GLU 70 1HG GLU 70 9.571 -7.410 2.781 505 HG3 GLU 70 2HG GLU 70 9.282 -6.054 1.692 506 H GLY 71 H GLY 71 4.861 -7.514 0.361 507 HA2 GLY 71 1HA GLY 71 2.625 -8.078 0.778 508 HA3 GLY 71 2HA GLY 71 2.914 -7.865 2.498 509 H GLU 72 H GLU 72 4.095 -5.235 2.236 510 HA GLU 72 HA GLU 72 1.663 -3.709 2.215 511 HB2 GLU 72 1HB GLU 72 3.702 -3.397 3.756 512 HB3 GLU 72 2HB GLU 72 4.436 -2.557 2.397 513 HG2 GLU 72 1HG GLU 72 3.285 -1.131 4.138 514 HG3 GLU 72 2HG GLU 72 2.852 -0.836 2.455 515 H LEU 73 H LEU 73 1.373 -1.731 0.974 516 HA LEU 73 HA LEU 73 2.367 -2.060 -1.766 517 HB2 LEU 73 1HB LEU 73 -0.105 -0.966 -0.555 518 HB3 LEU 73 2HB LEU 73 0.464 -0.209 -2.042 519 HG LEU 73 HG LEU 73 0.217 -3.167 -2.020 520 HD11 LEU 73 1HD1 LEU 73 -2.250 -1.678 -2.669 521 HD12 LEU 73 2HD1 LEU 73 -1.868 -1.868 -0.958 522 HD13 LEU 73 3HD1 LEU 73 -2.039 -3.291 -1.987 523 HD21 LEU 73 1HD2 LEU 73 0.924 -1.443 -3.913 524 HD22 LEU 73 2HD2 LEU 73 -0.822 -1.389 -4.155 525 HD23 LEU 73 3HD2 LEU 73 0.039 -2.925 -4.274 526 H TYR 74 H TYR 74 2.813 -0.075 -3.010 527 HA TYR 74 HA TYR 74 3.394 2.359 -1.619 528 HB2 TYR 74 1HB TYR 74 5.658 0.542 -2.445 529 HB3 TYR 74 2HB TYR 74 5.871 2.271 -2.192 530 HD1 TYR 74 2HD TYR 74 5.454 3.233 0.086 531 HD2 TYR 74 1HD TYR 74 5.568 -0.962 -0.617 532 HE1 TYR 74 2HE TYR 74 5.783 2.844 2.492 533 HE2 TYR 74 1HE TYR 74 5.896 -1.362 1.787 534 HH TYR 74 HH TYR 74 6.978 0.560 3.841 535 H CYS 75 H CYS 75 4.184 4.037 -3.043 536 HA CYS 75 HA CYS 75 3.078 3.801 -5.676 537 HB2 CYS 75 1HB CYS 75 3.820 6.159 -5.930 538 HB3 CYS 75 2HB CYS 75 2.853 5.896 -4.482 539 H GLU 76 H GLU 76 4.404 4.739 -7.567 540 HA GLU 76 HA GLU 76 6.460 2.964 -8.189 541 HB2 GLU 76 1HB GLU 76 5.007 4.494 -9.717 542 HB3 GLU 76 2HB GLU 76 6.290 5.671 -9.471 543 HG2 GLU 76 1HG GLU 76 7.892 3.872 -10.263 544 HG3 GLU 76 2HG GLU 76 6.464 2.981 -10.786 545 H THR 77 H THR 77 6.562 6.178 -6.778 546 HA THR 77 HA THR 77 9.363 6.562 -7.012 547 HB THR 77 HB THR 77 7.450 7.797 -5.021 548 HG1 THR 77 1HG THR 77 6.896 9.109 -6.597 549 HG21 THR 77 1HG2 THR 77 9.175 8.945 -4.197 550 HG22 THR 77 2HG2 THR 77 9.672 9.445 -5.813 551 HG23 THR 77 3HG2 THR 77 10.251 7.919 -5.144 552 H HIS 78 H HIS 78 7.539 6.132 -3.982 553 HA HIS 78 HA HIS 78 9.708 5.407 -2.411 554 HB2 HIS 78 1HB HIS 78 6.760 4.871 -2.179 555 HB3 HIS 78 2HB HIS 78 7.888 4.230 -0.988 556 HD2 HIS 78 2HD HIS 78 9.728 6.749 -0.339 557 HE1 HIS 78 1HE HIS 78 6.116 8.915 0.165 558 HE2 HIS 78 2HE HIS 78 8.605 8.902 0.550 559 H ALA 79 H ALA 79 7.308 3.237 -3.911 560 HA ALA 79 HA ALA 79 8.281 0.802 -3.164 561 HB1 ALA 79 1HB ALA 79 6.247 1.204 -4.536 562 HB2 ALA 79 2HB ALA 79 7.290 1.424 -5.941 563 HB3 ALA 79 3HB ALA 79 7.244 -0.132 -5.114 564 H ARG 80 H ARG 80 9.220 2.472 -6.179 565 HA ARG 80 HA ARG 80 11.145 0.766 -7.092 566 HB2 ARG 80 1HB ARG 80 10.800 3.723 -7.253 567 HB3 ARG 80 2HB ARG 80 12.321 3.037 -7.807 568 HG2 ARG 80 1HG ARG 80 10.984 1.514 -9.284 569 HG3 ARG 80 2HG ARG 80 9.560 2.459 -8.844 570 HD2 ARG 80 1HD ARG 80 10.284 3.406 -10.855 571 HD3 ARG 80 2HD ARG 80 10.899 4.496 -9.613 572 HE ARG 80 HE ARG 80 13.032 3.057 -9.909 573 HH11 ARG 80 2HH1 ARG 80 10.811 3.994 -12.421 574 HH12 ARG 80 1HH1 ARG 80 12.013 3.981 -13.669 575 HH21 ARG 80 2HH2 ARG 80 14.624 3.036 -11.543 576 HH22 ARG 80 1HH2 ARG 80 14.181 3.435 -13.168 577 H ALA 81 H ALA 81 11.525 3.270 -4.619 578 HA ALA 81 HA ALA 81 14.300 3.010 -4.257 579 HB1 ALA 81 1HB ALA 81 13.705 4.866 -3.154 580 HB2 ALA 81 2HB ALA 81 12.075 4.271 -2.834 581 HB3 ALA 81 3HB ALA 81 13.414 3.778 -1.797 582 H ARG 82 H ARG 82 11.591 1.185 -3.001 583 HA ARG 82 HA ARG 82 13.192 -0.241 -1.067 584 HB2 ARG 82 1HB ARG 82 10.385 -0.817 -2.033 585 HB3 ARG 82 2HB ARG 82 11.158 -1.501 -0.609 586 HG2 ARG 82 1HG ARG 82 10.978 0.449 0.596 587 HG3 ARG 82 2HG ARG 82 10.893 1.458 -0.849 588 HD2 ARG 82 1HD ARG 82 8.710 1.518 -0.116 589 HD3 ARG 82 2HD ARG 82 8.658 0.184 -1.266 590 HE ARG 82 HE ARG 82 8.038 -1.149 0.466 591 HH11 ARG 82 2HH1 ARG 82 9.896 1.502 1.746 592 HH12 ARG 82 1HH1 ARG 82 9.722 0.998 3.395 593 HH21 ARG 82 2HH2 ARG 82 7.802 -1.823 2.632 594 HH22 ARG 82 1HH2 ARG 82 8.532 -0.894 3.897 595 H THR 83 H THR 83 11.266 -1.321 -3.872 596 HA THR 83 HA THR 83 12.522 -3.851 -4.027 597 HB THR 83 HB THR 83 10.307 -3.508 -4.973 598 HG1 THR 83 1HG THR 83 12.431 -4.391 -6.563 599 HG21 THR 83 1HG2 THR 83 10.391 -1.261 -5.754 600 HG22 THR 83 2HG2 THR 83 10.132 -2.277 -7.172 601 HG23 THR 83 3HG2 THR 83 11.734 -1.619 -6.839 602 H SER 84 H SER 84 13.079 -0.781 -5.676 603 HA SER 84 HA SER 84 14.728 -0.063 -7.077 604 HB2 SER 84 1HB SER 84 16.923 -0.454 -6.343 605 HB3 SER 84 2HB SER 84 15.958 -0.691 -4.887 606 HG SER 84 HG SER 84 16.037 -2.953 -5.327 607 H GLY 85 H GLY 85 13.077 -2.063 -8.166 608 HA2 GLY 85 1HA GLY 85 13.303 -2.892 -10.412 609 HA3 GLY 85 2HA GLY 85 14.977 -3.288 -10.053 610 HA PRO 86 HA PRO 86 11.993 -6.632 -8.130 611 HB2 PRO 86 1HB PRO 86 9.722 -6.973 -9.579 612 HB3 PRO 86 2HB PRO 86 9.822 -5.881 -8.193 613 HG2 PRO 86 1HG PRO 86 9.986 -5.251 -11.115 614 HG3 PRO 86 2HG PRO 86 9.116 -4.391 -9.832 615 HD2 PRO 86 1HD PRO 86 11.506 -3.550 -10.787 616 HD3 PRO 86 2HD PRO 86 11.012 -3.305 -9.100 617 H SER 87 H SER 87 12.788 -8.556 -8.676 618 HA SER 87 HA SER 87 13.709 -9.104 -11.322 619 HB2 SER 87 1HB SER 87 13.497 -10.913 -8.903 620 HB3 SER 87 2HB SER 87 14.355 -11.309 -10.392 621 HG SER 87 HG SER 87 15.116 -8.898 -9.414 622 H SER 88 H SER 88 11.089 -10.398 -9.305 623 HA SER 88 HA SER 88 10.107 -12.395 -10.883 624 HB2 SER 88 1HB SER 88 8.629 -10.368 -9.204 625 HB3 SER 88 2HB SER 88 7.815 -11.725 -9.982 626 HG SER 88 HG SER 88 10.063 -12.078 -8.303 627 H GLY 89 H GLY 89 9.102 -8.974 -11.081 628 HA2 GLY 89 1HA GLY 89 7.517 -9.338 -13.405 629 HA3 GLY 89 2HA GLY 89 8.086 -7.799 -12.775 Start of MODEL 9 1 H1 GLY 1 H GLY 1 24.776 29.877 37.227 2 HA2 GLY 1 1HA GLY 1 24.808 27.692 36.357 3 HA3 GLY 1 2HA GLY 1 24.757 27.062 37.996 4 H SER 2 H SER 2 23.170 25.835 36.263 5 HA SER 2 HA SER 2 20.566 26.280 37.332 6 HB2 SER 2 1HB SER 2 20.709 28.058 35.548 7 HB3 SER 2 2HB SER 2 20.850 26.763 34.360 8 HG SER 2 HG SER 2 18.687 27.453 34.607 9 H SER 3 H SER 3 19.045 24.642 36.694 10 HA SER 3 HA SER 3 19.946 22.491 34.986 11 HB2 SER 3 1HB SER 3 19.969 20.764 36.655 12 HB3 SER 3 2HB SER 3 21.032 22.053 37.219 13 HG SER 3 HG SER 3 18.458 22.403 38.033 14 H GLY 4 H GLY 4 18.289 20.787 34.756 15 HA2 GLY 4 1HA GLY 4 15.889 20.338 35.610 16 HA3 GLY 4 2HA GLY 4 15.613 21.975 35.032 17 H SER 5 H SER 5 14.597 19.235 34.215 18 HA SER 5 HA SER 5 14.539 19.757 31.406 19 HB2 SER 5 1HB SER 5 15.729 17.900 30.567 20 HB3 SER 5 2HB SER 5 16.779 18.559 31.822 21 HG SER 5 HG SER 5 15.110 16.278 31.952 22 H SER 6 H SER 6 13.075 18.355 30.266 23 HA SER 6 HA SER 6 11.484 16.534 31.908 24 HB2 SER 6 1HB SER 6 10.326 18.880 30.385 25 HB3 SER 6 2HB SER 6 9.372 17.580 31.099 26 HG SER 6 HG SER 6 9.701 19.588 32.377 27 H GLY 7 H GLY 7 9.880 15.311 30.554 28 HA2 GLY 7 1HA GLY 7 9.436 14.993 28.014 29 HA3 GLY 7 2HA GLY 7 11.158 14.639 27.994 30 H VAL 8 H VAL 8 8.005 13.531 29.001 31 HA VAL 8 HA VAL 8 9.055 10.807 29.140 32 HB VAL 8 HB VAL 8 7.355 12.024 31.321 33 HG11 VAL 8 1HG1 VAL 8 6.768 9.977 31.971 34 HG12 VAL 8 2HG1 VAL 8 7.374 9.398 30.418 35 HG13 VAL 8 3HG1 VAL 8 8.424 9.386 31.836 36 HG21 VAL 8 1HG2 VAL 8 10.189 10.989 31.350 37 HG22 VAL 8 2HG2 VAL 8 9.685 12.672 31.514 38 HG23 VAL 8 3HG2 VAL 8 9.278 11.503 32.771 39 H ARG 9 H ARG 9 7.957 9.958 27.473 40 HA ARG 9 HA ARG 9 5.053 10.425 27.341 41 HB2 ARG 9 1HB ARG 9 6.339 11.146 25.353 42 HB3 ARG 9 2HB ARG 9 6.916 9.497 25.148 43 HG2 ARG 9 1HG ARG 9 5.187 9.534 23.657 44 HG3 ARG 9 2HG ARG 9 4.360 8.934 25.096 45 HD2 ARG 9 1HD ARG 9 2.969 10.617 24.191 46 HD3 ARG 9 2HD ARG 9 3.756 11.334 25.597 47 HE ARG 9 HE ARG 9 4.907 12.766 24.201 48 HH11 ARG 9 2HH1 ARG 9 3.245 10.343 22.333 49 HH12 ARG 9 1HH1 ARG 9 3.506 11.145 20.819 50 HH21 ARG 9 2HH2 ARG 9 5.257 13.831 22.214 51 HH22 ARG 9 1HH2 ARG 9 4.651 13.128 20.752 52 H ALA 10 H ALA 10 3.664 8.657 26.920 53 HA ALA 10 HA ALA 10 4.841 6.012 27.470 54 HB1 ALA 10 1HB ALA 10 3.772 6.394 29.466 55 HB2 ALA 10 2HB ALA 10 2.492 7.353 28.723 56 HB3 ALA 10 3HB ALA 10 2.492 5.598 28.549 57 HA PRO 11 HA PRO 11 2.836 5.264 23.526 58 HB2 PRO 11 1HB PRO 11 3.885 2.782 23.195 59 HB3 PRO 11 2HB PRO 11 4.797 4.261 22.871 60 HG2 PRO 11 1HG PRO 11 4.852 2.493 25.286 61 HG3 PRO 11 2HG PRO 11 6.203 3.250 24.422 62 HD2 PRO 11 1HD PRO 11 5.196 4.261 26.723 63 HD3 PRO 11 2HD PRO 11 5.881 5.289 25.448 64 H VAL 12 H VAL 12 0.917 4.347 23.062 65 HA VAL 12 HA VAL 12 0.021 1.955 24.424 66 HB VAL 12 HB VAL 12 -0.636 3.711 26.011 67 HG11 VAL 12 1HG1 VAL 12 -1.920 4.886 23.575 68 HG12 VAL 12 2HG1 VAL 12 -2.561 5.226 25.184 69 HG13 VAL 12 3HG1 VAL 12 -0.900 5.665 24.784 70 HG21 VAL 12 1HG2 VAL 12 -3.153 2.801 24.668 71 HG22 VAL 12 2HG2 VAL 12 -2.062 1.636 25.420 72 HG23 VAL 12 3HG2 VAL 12 -2.787 2.918 26.390 73 H THR 13 H THR 13 -1.534 0.846 23.298 74 HA THR 13 HA THR 13 -2.760 2.133 20.971 75 HB THR 13 HB THR 13 -2.205 0.231 19.515 76 HG1 THR 13 1HG THR 13 -1.802 -1.444 20.883 77 HG21 THR 13 1HG2 THR 13 -0.023 0.906 18.981 78 HG22 THR 13 2HG2 THR 13 0.375 1.260 20.663 79 HG23 THR 13 3HG2 THR 13 -0.726 2.315 19.776 80 H LYS 14 H LYS 14 -4.821 1.537 20.653 81 HA LYS 14 HA LYS 14 -5.795 -1.003 21.690 82 HB2 LYS 14 1HB LYS 14 -7.650 0.044 22.908 83 HB3 LYS 14 2HB LYS 14 -6.094 0.519 23.577 84 HG2 LYS 14 1HG LYS 14 -6.245 2.641 22.319 85 HG3 LYS 14 2HG LYS 14 -7.855 2.166 21.773 86 HD2 LYS 14 1HD LYS 14 -8.494 1.960 24.202 87 HD3 LYS 14 2HD LYS 14 -6.947 2.713 24.594 88 HE2 LYS 14 1HE LYS 14 -8.594 4.433 24.583 89 HE3 LYS 14 2HE LYS 14 -7.613 4.634 23.132 90 HZ1 LYS 14 1HZ LYS 14 -9.865 2.943 22.672 91 HZ2 LYS 14 2HZ LYS 14 -9.382 4.337 21.846 92 HZ3 LYS 14 3HZ LYS 14 -10.340 4.467 23.234 93 H VAL 15 H VAL 15 -7.258 -1.887 20.365 94 HA VAL 15 HA VAL 15 -8.676 -0.135 18.471 95 HB VAL 15 HB VAL 15 -6.803 -1.243 17.309 96 HG11 VAL 15 1HG1 VAL 15 -8.140 -3.720 18.348 97 HG12 VAL 15 2HG1 VAL 15 -7.110 -3.756 16.915 98 HG13 VAL 15 3HG1 VAL 15 -6.446 -3.243 18.467 99 HG21 VAL 15 1HG2 VAL 15 -8.129 -2.219 15.473 100 HG22 VAL 15 2HG2 VAL 15 -9.547 -2.219 16.521 101 HG23 VAL 15 3HG2 VAL 15 -8.798 -0.693 16.051 102 H HIS 16 H HIS 16 -10.771 -0.680 18.007 103 HA HIS 16 HA HIS 16 -11.873 -3.210 18.876 104 HB2 HIS 16 1HB HIS 16 -13.633 -2.110 20.275 105 HB3 HIS 16 2HB HIS 16 -12.013 -2.014 20.960 106 HD1 HIS 16 1HD HIS 16 -10.760 0.395 20.213 107 HD2 HIS 16 2HD HIS 16 -14.910 0.260 20.376 108 HE1 HIS 16 1HE HIS 16 -11.504 2.790 20.403 109 HE2 HIS 16 2HE HIS 16 -14.013 2.678 20.586 110 H GLY 17 H GLY 17 -13.242 -3.843 17.351 111 HA2 GLY 17 1HA GLY 17 -15.108 -1.954 16.170 112 HA3 GLY 17 2HA GLY 17 -13.930 -2.639 15.061 113 H GLY 18 H GLY 18 -15.631 -3.611 13.868 114 HA2 GLY 18 1HA GLY 18 -16.117 -6.135 13.797 115 HA3 GLY 18 2HA GLY 18 -17.038 -5.796 15.255 116 H ALA 19 H ALA 19 -18.155 -6.938 12.951 117 HA ALA 19 HA ALA 19 -20.373 -5.198 12.555 118 HB1 ALA 19 1HB ALA 19 -20.105 -4.434 10.425 119 HB2 ALA 19 2HB ALA 19 -18.417 -4.450 10.937 120 HB3 ALA 19 3HB ALA 19 -19.054 -5.770 9.957 121 H GLY 20 H GLY 20 -21.798 -6.166 10.661 122 HA2 GLY 20 1HA GLY 20 -21.499 -9.075 10.511 123 HA3 GLY 20 2HA GLY 20 -22.950 -8.447 11.277 124 H SER 21 H SER 21 -21.374 -9.150 8.321 125 HA SER 21 HA SER 21 -23.512 -7.849 6.782 126 HB2 SER 21 1HB SER 21 -22.047 -8.167 4.822 127 HB3 SER 21 2HB SER 21 -21.234 -7.259 6.096 128 HG SER 21 HG SER 21 -20.960 -10.060 5.767 129 H ALA 22 H ALA 22 -21.926 -10.936 7.366 130 HA ALA 22 HA ALA 22 -22.630 -13.082 7.059 131 HB1 ALA 22 1HB ALA 22 -25.296 -12.633 6.055 132 HB2 ALA 22 2HB ALA 22 -24.773 -13.390 7.561 133 HB3 ALA 22 3HB ALA 22 -24.978 -11.640 7.478 134 H GLN 23 H GLN 23 -21.282 -11.781 4.980 135 HA GLN 23 HA GLN 23 -22.372 -13.228 2.672 136 HB2 GLN 23 1HB GLN 23 -22.680 -10.593 2.743 137 HB3 GLN 23 2HB GLN 23 -21.012 -10.620 2.186 138 HG2 GLN 23 1HG GLN 23 -22.626 -10.470 0.346 139 HG3 GLN 23 2HG GLN 23 -21.626 -11.918 0.257 140 HE21 GLN 23 1HE2 GLN 23 -22.795 -13.494 -0.566 141 HE22 GLN 23 2HE2 GLN 23 -24.412 -13.903 -0.117 142 H ARG 24 H ARG 24 -20.687 -13.436 0.906 143 HA ARG 24 HA ARG 24 -18.163 -14.207 2.163 144 HB2 ARG 24 1HB ARG 24 -19.640 -15.702 0.603 145 HB3 ARG 24 2HB ARG 24 -18.862 -14.799 -0.690 146 HG2 ARG 24 1HG ARG 24 -16.742 -15.627 -0.148 147 HG3 ARG 24 2HG ARG 24 -17.271 -16.180 1.443 148 HD2 ARG 24 1HD ARG 24 -18.416 -17.301 -1.098 149 HD3 ARG 24 2HD ARG 24 -16.942 -17.945 -0.375 150 HE ARG 24 HE ARG 24 -19.648 -18.192 0.653 151 HH11 ARG 24 2HH1 ARG 24 -16.235 -18.605 1.202 152 HH12 ARG 24 1HH1 ARG 24 -16.448 -19.739 2.495 153 HH21 ARG 24 2HH2 ARG 24 -19.941 -19.684 2.353 154 HH22 ARG 24 1HH2 ARG 24 -18.556 -20.353 3.148 155 H MET 25 H MET 25 -19.063 -11.416 1.254 156 HA MET 25 HA MET 25 -17.428 -10.658 -0.925 157 HB2 MET 25 1HB MET 25 -18.100 -8.480 -0.496 158 HB3 MET 25 2HB MET 25 -19.421 -9.413 0.194 159 HG2 MET 25 1HG MET 25 -17.104 -8.352 1.789 160 HG3 MET 25 2HG MET 25 -18.639 -7.510 1.593 161 HE1 MET 25 1HE MET 25 -17.309 -8.249 4.396 162 HE2 MET 25 2HE MET 25 -17.809 -9.781 5.113 163 HE3 MET 25 3HE MET 25 -16.634 -9.764 3.797 164 HA PRO 26 HA PRO 26 -13.417 -10.340 0.830 165 HB2 PRO 26 1HB PRO 26 -12.413 -8.221 -0.540 166 HB3 PRO 26 2HB PRO 26 -12.669 -9.807 -1.277 167 HG2 PRO 26 1HG PRO 26 -14.385 -7.358 -1.409 168 HG3 PRO 26 2HG PRO 26 -13.945 -8.487 -2.704 169 HD2 PRO 26 1HD PRO 26 -16.339 -8.580 -1.442 170 HD3 PRO 26 2HD PRO 26 -15.533 -10.032 -2.068 171 H LEU 27 H LEU 27 -12.295 -9.299 2.435 172 HA LEU 27 HA LEU 27 -13.608 -6.945 3.599 173 HB2 LEU 27 1HB LEU 27 -13.040 -9.262 4.798 174 HB3 LEU 27 2HB LEU 27 -11.515 -8.427 5.084 175 HG LEU 27 HG LEU 27 -12.963 -8.186 7.001 176 HD11 LEU 27 1HD1 LEU 27 -11.635 -6.165 5.777 177 HD12 LEU 27 2HD1 LEU 27 -12.408 -6.041 7.357 178 HD13 LEU 27 3HD1 LEU 27 -13.252 -5.475 5.916 179 HD21 LEU 27 1HD2 LEU 27 -14.959 -7.533 4.930 180 HD22 LEU 27 2HD2 LEU 27 -15.039 -6.583 6.413 181 HD23 LEU 27 3HD2 LEU 27 -15.155 -8.342 6.485 182 H CYS 28 H CYS 28 -12.661 -5.033 3.422 183 HA CYS 28 HA CYS 28 -10.312 -4.524 2.065 184 HB2 CYS 28 1HB CYS 28 -12.105 -2.859 2.653 185 HB3 CYS 28 2HB CYS 28 -11.426 -2.791 4.276 186 H ASP 29 H ASP 29 -8.251 -4.881 2.517 187 HA ASP 29 HA ASP 29 -7.445 -5.713 5.156 188 HB2 ASP 29 1HB ASP 29 -6.204 -5.632 2.457 189 HB3 ASP 29 2HB ASP 29 -5.112 -5.588 3.840 190 H LYS 30 H LYS 30 -8.042 -2.770 3.961 191 HA LYS 30 HA LYS 30 -5.717 -1.449 5.152 192 HB2 LYS 30 1HB LYS 30 -6.381 -0.675 2.938 193 HB3 LYS 30 2HB LYS 30 -8.008 -0.342 3.518 194 HG2 LYS 30 1HG LYS 30 -7.220 1.751 3.705 195 HG3 LYS 30 2HG LYS 30 -6.586 1.155 5.241 196 HD2 LYS 30 1HD LYS 30 -4.513 0.477 3.848 197 HD3 LYS 30 2HD LYS 30 -5.153 1.600 2.646 198 HE2 LYS 30 1HE LYS 30 -3.512 2.671 4.123 199 HE3 LYS 30 2HE LYS 30 -5.110 3.402 4.273 200 HZ1 LYS 30 1HZ LYS 30 -4.671 1.251 6.122 201 HZ2 LYS 30 2HZ LYS 30 -5.243 2.817 6.405 202 HZ3 LYS 30 3HZ LYS 30 -3.578 2.525 6.330 203 H CYS 31 H CYS 31 -9.271 -1.128 5.228 204 HA CYS 31 HA CYS 31 -9.022 -0.103 7.979 205 HB2 CYS 31 1HB CYS 31 -11.163 1.026 7.626 206 HB3 CYS 31 2HB CYS 31 -9.998 1.510 6.398 207 H GLY 32 H GLY 32 -9.379 -2.923 6.702 208 HA2 GLY 32 1HA GLY 32 -10.668 -4.816 7.064 209 HA3 GLY 32 2HA GLY 32 -10.497 -4.292 8.733 210 H SER 33 H SER 33 -12.374 -3.002 5.996 211 HA SER 33 HA SER 33 -14.803 -3.365 7.624 212 HB2 SER 33 1HB SER 33 -13.892 -0.975 6.043 213 HB3 SER 33 2HB SER 33 -15.608 -1.252 6.341 214 HG SER 33 HG SER 33 -15.066 -0.129 8.081 215 H GLY 34 H GLY 34 -16.311 -4.572 6.686 216 HA2 GLY 34 1HA GLY 34 -16.201 -6.033 4.466 217 HA3 GLY 34 2HA GLY 34 -17.721 -5.321 4.986 218 H ILE 35 H ILE 35 -16.539 -5.911 2.283 219 HA ILE 35 HA ILE 35 -16.728 -3.189 1.168 220 HB ILE 35 HB ILE 35 -15.359 -5.584 -0.063 221 HG12 ILE 35 1HG1 ILE 35 -13.997 -3.086 0.909 222 HG13 ILE 35 2HG1 ILE 35 -14.310 -4.425 2.008 223 HG21 ILE 35 1HG2 ILE 35 -14.742 -2.930 -1.100 224 HG22 ILE 35 2HG2 ILE 35 -15.131 -4.420 -1.957 225 HG23 ILE 35 3HG2 ILE 35 -16.426 -3.399 -1.331 226 HD11 ILE 35 1HD1 ILE 35 -12.057 -4.518 1.112 227 HD12 ILE 35 2HD1 ILE 35 -13.007 -5.904 0.576 228 HD13 ILE 35 3HD1 ILE 35 -12.700 -4.565 -0.530 229 H VAL 36 H VAL 36 -18.505 -2.773 0.049 230 HA VAL 36 HA VAL 36 -19.720 -4.846 -1.598 231 HB VAL 36 HB VAL 36 -21.289 -3.356 0.511 232 HG11 VAL 36 1HG1 VAL 36 -22.731 -3.514 -1.321 233 HG12 VAL 36 2HG1 VAL 36 -22.128 -5.109 -1.775 234 HG13 VAL 36 3HG1 VAL 36 -23.134 -4.922 -0.338 235 HG21 VAL 36 1HG2 VAL 36 -21.616 -5.448 1.582 236 HG22 VAL 36 2HG2 VAL 36 -20.894 -6.329 0.236 237 HG23 VAL 36 3HG2 VAL 36 -19.886 -5.311 1.265 238 H GLY 37 H GLY 37 -19.890 -3.950 -3.541 239 HA2 GLY 37 1HA GLY 37 -21.262 -2.319 -4.818 240 HA3 GLY 37 2HA GLY 37 -20.676 -1.104 -3.693 241 H ALA 38 H ALA 38 -18.075 -1.334 -3.550 242 HA ALA 38 HA ALA 38 -16.949 -1.653 -6.222 243 HB1 ALA 38 1HB ALA 38 -16.680 0.504 -6.685 244 HB2 ALA 38 2HB ALA 38 -17.741 0.860 -5.321 245 HB3 ALA 38 3HB ALA 38 -15.992 0.824 -5.092 246 H VAL 39 H VAL 39 -15.012 -2.586 -6.116 247 HA VAL 39 HA VAL 39 -13.370 -2.209 -3.711 248 HB VAL 39 HB VAL 39 -14.745 -4.456 -3.860 249 HG11 VAL 39 1HG1 VAL 39 -13.598 -4.770 -6.208 250 HG12 VAL 39 2HG1 VAL 39 -12.291 -5.439 -5.229 251 HG13 VAL 39 3HG1 VAL 39 -13.904 -6.149 -5.153 252 HG21 VAL 39 1HG2 VAL 39 -12.770 -3.640 -2.320 253 HG22 VAL 39 2HG2 VAL 39 -13.303 -5.321 -2.304 254 HG23 VAL 39 3HG2 VAL 39 -11.867 -4.861 -3.218 255 H VAL 40 H VAL 40 -11.102 -2.928 -4.040 256 HA VAL 40 HA VAL 40 -10.261 -2.845 -6.854 257 HB VAL 40 HB VAL 40 -9.108 -1.151 -4.635 258 HG11 VAL 40 1HG1 VAL 40 -8.155 -1.549 -7.469 259 HG12 VAL 40 2HG1 VAL 40 -7.554 -0.311 -6.364 260 HG13 VAL 40 3HG1 VAL 40 -7.308 -2.018 -5.995 261 HG21 VAL 40 1HG2 VAL 40 -10.695 -0.544 -7.108 262 HG22 VAL 40 2HG2 VAL 40 -11.007 -0.049 -5.445 263 HG23 VAL 40 3HG2 VAL 40 -9.673 0.673 -6.344 264 H LYS 41 H LYS 41 -9.490 -4.877 -7.030 265 HA LYS 41 HA LYS 41 -7.555 -5.796 -5.010 266 HB2 LYS 41 1HB LYS 41 -9.056 -7.508 -4.994 267 HB3 LYS 41 2HB LYS 41 -9.616 -7.176 -6.628 268 HG2 LYS 41 1HG LYS 41 -7.271 -8.084 -7.313 269 HG3 LYS 41 2HG LYS 41 -7.311 -8.829 -5.714 270 HD2 LYS 41 1HD LYS 41 -9.679 -9.630 -6.451 271 HD3 LYS 41 2HD LYS 41 -9.077 -9.312 -8.080 272 HE2 LYS 41 1HE LYS 41 -7.096 -10.760 -7.502 273 HE3 LYS 41 2HE LYS 41 -7.956 -11.215 -6.032 274 HZ1 LYS 41 1HZ LYS 41 -8.162 -12.658 -8.162 275 HZ2 LYS 41 2HZ LYS 41 -9.301 -11.499 -8.629 276 HZ3 LYS 41 3HZ LYS 41 -9.527 -12.379 -7.202 277 H ALA 42 H ALA 42 -5.490 -5.842 -5.583 278 HA ALA 42 HA ALA 42 -4.714 -5.345 -8.316 279 HB1 ALA 42 1HB ALA 42 -2.370 -5.567 -7.267 280 HB2 ALA 42 2HB ALA 42 -3.381 -4.200 -6.795 281 HB3 ALA 42 3HB ALA 42 -3.229 -5.595 -5.727 282 H ARG 43 H ARG 43 -3.211 -7.683 -6.119 283 HA ARG 43 HA ARG 43 -3.075 -9.585 -8.340 284 HB2 ARG 43 1HB ARG 43 -1.558 -9.294 -5.760 285 HB3 ARG 43 2HB ARG 43 -1.510 -10.795 -6.676 286 HG2 ARG 43 1HG ARG 43 -0.360 -9.843 -8.434 287 HG3 ARG 43 2HG ARG 43 -0.890 -8.209 -8.030 288 HD2 ARG 43 1HD ARG 43 0.624 -8.038 -6.252 289 HD3 ARG 43 2HD ARG 43 0.885 -9.780 -6.192 290 HE ARG 43 HE ARG 43 1.760 -8.302 -8.563 291 HH11 ARG 43 2HH1 ARG 43 2.533 -10.078 -5.670 292 HH12 ARG 43 1HH1 ARG 43 4.193 -10.316 -6.103 293 HH21 ARG 43 2HH2 ARG 43 3.944 -8.609 -9.144 294 HH22 ARG 43 1HH2 ARG 43 4.995 -9.479 -8.079 295 H ASP 44 H ASP 44 -3.142 -10.269 -4.871 296 HA ASP 44 HA ASP 44 -5.474 -12.010 -5.340 297 HB2 ASP 44 1HB ASP 44 -3.522 -13.365 -4.893 298 HB3 ASP 44 2HB ASP 44 -3.135 -12.408 -3.466 299 H LYS 45 H LYS 45 -4.124 -9.451 -3.505 300 HA LYS 45 HA LYS 45 -6.050 -9.680 -1.343 301 HB2 LYS 45 1HB LYS 45 -3.681 -7.970 -1.919 302 HB3 LYS 45 2HB LYS 45 -4.913 -7.323 -0.844 303 HG2 LYS 45 1HG LYS 45 -4.647 -9.661 0.330 304 HG3 LYS 45 2HG LYS 45 -3.066 -9.618 -0.455 305 HD2 LYS 45 1HD LYS 45 -4.120 -7.356 1.229 306 HD3 LYS 45 2HD LYS 45 -3.169 -8.685 1.895 307 HE2 LYS 45 1HE LYS 45 -1.544 -8.036 -0.087 308 HE3 LYS 45 2HE LYS 45 -2.352 -6.477 0.075 309 HZ1 LYS 45 1HZ LYS 45 -0.476 -6.401 1.467 310 HZ2 LYS 45 2HZ LYS 45 -0.782 -7.929 2.124 311 HZ3 LYS 45 3HZ LYS 45 -1.791 -6.626 2.506 312 H TYR 46 H TYR 46 -7.337 -7.722 -0.739 313 HA TYR 46 HA TYR 46 -8.279 -6.270 -3.120 314 HB2 TYR 46 1HB TYR 46 -9.999 -7.459 -0.934 315 HB3 TYR 46 2HB TYR 46 -10.585 -6.447 -2.250 316 HD1 TYR 46 1HD TYR 46 -8.471 -9.513 -1.862 317 HD2 TYR 46 2HD TYR 46 -11.601 -7.564 -3.984 318 HE1 TYR 46 1HE TYR 46 -8.760 -11.515 -3.263 319 HE2 TYR 46 2HE TYR 46 -11.899 -9.560 -5.390 320 HH TYR 46 HH TYR 46 -11.412 -12.096 -5.113 321 H ARG 47 H ARG 47 -9.022 -4.165 -2.788 322 HA ARG 47 HA ARG 47 -8.892 -3.042 -0.105 323 HB2 ARG 47 1HB ARG 47 -7.195 -1.989 -2.375 324 HB3 ARG 47 2HB ARG 47 -7.373 -1.234 -0.797 325 HG2 ARG 47 1HG ARG 47 -6.441 -4.050 -0.897 326 HG3 ARG 47 2HG ARG 47 -5.318 -2.778 -1.379 327 HD2 ARG 47 1HD ARG 47 -5.633 -1.662 0.756 328 HD3 ARG 47 2HD ARG 47 -6.819 -2.876 1.235 329 HE ARG 47 HE ARG 47 -5.088 -4.426 1.529 330 HH11 ARG 47 2HH1 ARG 47 -3.912 -1.332 0.451 331 HH12 ARG 47 1HH1 ARG 47 -2.265 -1.663 0.878 332 HH21 ARG 47 2HH2 ARG 47 -2.924 -4.873 2.096 333 HH22 ARG 47 1HH2 ARG 47 -1.705 -3.678 1.813 334 H HIS 48 H HIS 48 -10.119 -1.200 0.162 335 HA HIS 48 HA HIS 48 -12.321 -0.820 -1.484 336 HB2 HIS 48 1HB HIS 48 -11.073 0.709 0.740 337 HB3 HIS 48 2HB HIS 48 -12.252 1.559 -0.255 338 HD2 HIS 48 2HD HIS 48 -14.429 -0.892 -0.575 339 HE1 HIS 48 1HE HIS 48 -14.467 -0.813 3.666 340 HE2 HIS 48 2HE HIS 48 -15.629 -1.640 1.590 341 HA PRO 49 HA PRO 49 -11.132 1.802 -4.791 342 HB2 PRO 49 1HB PRO 49 -13.186 3.571 -4.940 343 HB3 PRO 49 2HB PRO 49 -13.341 1.876 -5.419 344 HG2 PRO 49 1HG PRO 49 -14.158 3.205 -2.864 345 HG3 PRO 49 2HG PRO 49 -15.035 2.005 -3.832 346 HD2 PRO 49 1HD PRO 49 -13.658 1.347 -1.596 347 HD3 PRO 49 2HD PRO 49 -13.823 0.242 -2.975 348 H GLU 50 H GLU 50 -11.467 3.084 -1.650 349 HA GLU 50 HA GLU 50 -10.106 5.565 -2.475 350 HB2 GLU 50 1HB GLU 50 -11.093 6.697 -0.600 351 HB3 GLU 50 2HB GLU 50 -12.377 5.898 -1.497 352 HG2 GLU 50 1HG GLU 50 -12.189 4.009 0.168 353 HG3 GLU 50 2HG GLU 50 -11.164 5.078 1.123 354 H CYS 51 H CYS 51 -10.104 2.799 -0.379 355 HA CYS 51 HA CYS 51 -8.075 3.697 1.406 356 HB2 CYS 51 1HB CYS 51 -9.148 0.958 0.730 357 HB3 CYS 51 2HB CYS 51 -7.878 1.212 1.923 358 H PHE 52 H PHE 52 -8.079 2.002 -1.663 359 HA PHE 52 HA PHE 52 -5.506 0.992 -1.726 360 HB2 PHE 52 1HB PHE 52 -7.492 0.954 -3.484 361 HB3 PHE 52 2HB PHE 52 -6.579 2.280 -4.195 362 HD1 PHE 52 2HD PHE 52 -5.577 -0.939 -2.596 363 HD2 PHE 52 1HD PHE 52 -5.442 1.550 -6.046 364 HE1 PHE 52 2HE PHE 52 -4.095 -2.560 -3.703 365 HE2 PHE 52 1HE PHE 52 -3.960 -0.068 -7.159 366 HZ PHE 52 HZ PHE 52 -3.283 -2.125 -5.987 367 H VAL 53 H VAL 53 -3.827 2.162 -0.981 368 HA VAL 53 HA VAL 53 -2.878 4.354 -2.585 369 HB VAL 53 HB VAL 53 -2.709 6.000 -0.812 370 HG11 VAL 53 1HG1 VAL 53 -4.704 6.038 -2.218 371 HG12 VAL 53 2HG1 VAL 53 -5.528 4.959 -1.089 372 HG13 VAL 53 3HG1 VAL 53 -5.071 6.586 -0.583 373 HG21 VAL 53 1HG2 VAL 53 -2.501 4.688 1.145 374 HG22 VAL 53 2HG2 VAL 53 -4.005 5.591 1.323 375 HG23 VAL 53 3HG2 VAL 53 -4.048 3.889 0.864 376 H CYS 54 H CYS 54 -0.793 5.276 -1.511 377 HA CYS 54 HA CYS 54 0.987 3.100 -1.157 378 HB2 CYS 54 1HB CYS 54 1.543 5.359 -2.156 379 HB3 CYS 54 2HB CYS 54 1.556 5.996 -0.514 380 H ALA 55 H ALA 55 2.581 3.060 0.714 381 HA ALA 55 HA ALA 55 1.055 3.213 3.223 382 HB1 ALA 55 1HB ALA 55 2.980 1.639 3.991 383 HB2 ALA 55 2HB ALA 55 1.672 1.002 2.993 384 HB3 ALA 55 3HB ALA 55 3.226 1.400 2.261 385 H ASP 56 H ASP 56 3.539 4.719 1.535 386 HA ASP 56 HA ASP 56 4.827 5.688 3.992 387 HB2 ASP 56 1HB ASP 56 6.115 4.692 1.934 388 HB3 ASP 56 2HB ASP 56 5.864 6.295 1.248 389 H CYS 57 H CYS 57 3.272 6.763 1.007 390 HA CYS 57 HA CYS 57 3.044 9.458 2.179 391 HB2 CYS 57 1HB CYS 57 2.808 10.266 -0.176 392 HB3 CYS 57 2HB CYS 57 4.382 9.561 0.181 393 H ASN 58 H ASN 58 1.375 6.696 1.130 394 HA ASN 58 HA ASN 58 -0.834 6.156 1.048 395 HB2 ASN 58 1HB ASN 58 -0.711 7.715 3.173 396 HB3 ASN 58 2HB ASN 58 -1.626 8.821 2.152 397 HD21 ASN 58 1HD2 ASN 58 -3.749 8.515 1.911 398 HD22 ASN 58 2HD2 ASN 58 -4.632 7.170 2.541 399 H LEU 59 H LEU 59 0.299 7.217 -1.250 400 HA LEU 59 HA LEU 59 -1.564 9.158 -2.347 401 HB2 LEU 59 1HB LEU 59 0.815 9.338 -2.868 402 HB3 LEU 59 2HB LEU 59 0.780 7.737 -3.603 403 HG LEU 59 HG LEU 59 -0.732 8.592 -5.347 404 HD11 LEU 59 1HD1 LEU 59 -0.495 11.310 -5.286 405 HD12 LEU 59 2HD1 LEU 59 -0.746 10.923 -3.584 406 HD13 LEU 59 3HD1 LEU 59 -1.923 10.401 -4.789 407 HD21 LEU 59 1HD2 LEU 59 1.540 10.501 -5.367 408 HD22 LEU 59 2HD2 LEU 59 0.963 9.410 -6.627 409 HD23 LEU 59 3HD2 LEU 59 1.913 8.779 -5.282 410 H ASN 60 H ASN 60 -2.907 8.777 -4.136 411 HA ASN 60 HA ASN 60 -4.269 6.329 -4.148 412 HB2 ASN 60 1HB ASN 60 -4.252 8.706 -5.981 413 HB3 ASN 60 2HB ASN 60 -5.170 7.266 -6.411 414 HD21 ASN 60 1HD2 ASN 60 -6.651 6.455 -4.679 415 HD22 ASN 60 2HD2 ASN 60 -7.524 7.639 -3.773 416 H LEU 61 H LEU 61 -3.536 4.440 -4.845 417 HA LEU 61 HA LEU 61 -1.551 4.360 -6.992 418 HB2 LEU 61 1HB LEU 61 -2.537 2.155 -5.187 419 HB3 LEU 61 2HB LEU 61 -1.201 2.042 -6.332 420 HG LEU 61 HG LEU 61 -1.242 3.832 -3.903 421 HD11 LEU 61 1HD1 LEU 61 -0.233 1.058 -4.353 422 HD12 LEU 61 2HD1 LEU 61 -1.097 1.728 -2.970 423 HD13 LEU 61 3HD1 LEU 61 0.600 2.131 -3.228 424 HD21 LEU 61 1HD2 LEU 61 0.152 4.519 -5.898 425 HD22 LEU 61 2HD2 LEU 61 1.097 3.054 -5.628 426 HD23 LEU 61 3HD2 LEU 61 1.024 4.300 -4.381 427 H LYS 62 H LYS 62 -4.873 3.879 -6.459 428 HA LYS 62 HA LYS 62 -5.784 1.873 -7.962 429 HB2 LYS 62 1HB LYS 62 -7.360 3.401 -7.058 430 HB3 LYS 62 2HB LYS 62 -6.700 4.744 -7.983 431 HG2 LYS 62 1HG LYS 62 -8.479 4.348 -9.296 432 HG3 LYS 62 2HG LYS 62 -7.423 3.118 -9.994 433 HD2 LYS 62 1HD LYS 62 -9.270 1.839 -9.586 434 HD3 LYS 62 2HD LYS 62 -8.445 1.655 -8.037 435 HE2 LYS 62 1HE LYS 62 -10.514 2.225 -7.278 436 HE3 LYS 62 2HE LYS 62 -9.833 3.840 -7.466 437 HZ1 LYS 62 1HZ LYS 62 -12.098 2.773 -8.699 438 HZ2 LYS 62 2HZ LYS 62 -10.951 3.044 -9.912 439 HZ3 LYS 62 3HZ LYS 62 -11.430 4.314 -8.902 440 H GLN 63 H GLN 63 -5.039 5.018 -9.480 441 HA GLN 63 HA GLN 63 -4.878 3.734 -12.079 442 HB2 GLN 63 1HB GLN 63 -4.371 6.157 -12.799 443 HB3 GLN 63 2HB GLN 63 -5.987 5.785 -12.214 444 HG2 GLN 63 1HG GLN 63 -5.554 6.790 -10.113 445 HG3 GLN 63 2HG GLN 63 -3.831 6.928 -10.463 446 HE21 GLN 63 1HE2 GLN 63 -3.597 8.065 -12.789 447 HE22 GLN 63 2HE2 GLN 63 -4.396 9.594 -12.868 448 H LYS 64 H LYS 64 -2.758 5.465 -9.837 449 HA LYS 64 HA LYS 64 -0.454 5.450 -11.456 450 HB2 LYS 64 1HB LYS 64 -0.600 5.434 -8.436 451 HB3 LYS 64 2HB LYS 64 0.776 5.938 -9.408 452 HG2 LYS 64 1HG LYS 64 -0.577 7.773 -10.332 453 HG3 LYS 64 2HG LYS 64 -1.916 7.284 -9.291 454 HD2 LYS 64 1HD LYS 64 -0.563 7.716 -7.316 455 HD3 LYS 64 2HD LYS 64 0.817 8.140 -8.333 456 HE2 LYS 64 1HE LYS 64 -1.734 9.599 -8.769 457 HE3 LYS 64 2HE LYS 64 -0.811 9.975 -7.314 458 HZ1 LYS 64 1HZ LYS 64 -0.102 10.406 -10.128 459 HZ2 LYS 64 2HZ LYS 64 1.142 10.126 -9.016 460 HZ3 LYS 64 3HZ LYS 64 0.092 11.435 -8.799 461 H GLY 65 H GLY 65 1.224 4.024 -11.672 462 HA2 GLY 65 1HA GLY 65 0.791 1.312 -11.562 463 HA3 GLY 65 2HA GLY 65 2.388 2.044 -11.548 464 H TYR 66 H TYR 66 0.186 0.175 -9.831 465 HA TYR 66 HA TYR 66 1.080 0.820 -7.182 466 HB2 TYR 66 1HB TYR 66 -0.375 -0.879 -6.432 467 HB3 TYR 66 2HB TYR 66 -1.181 -0.184 -7.834 468 HD1 TYR 66 2HD TYR 66 0.545 -3.128 -6.509 469 HD2 TYR 66 1HD TYR 66 -1.412 -1.451 -9.895 470 HE1 TYR 66 2HE TYR 66 0.396 -5.364 -7.523 471 HE2 TYR 66 1HE TYR 66 -1.567 -3.682 -10.918 472 HH TYR 66 HH TYR 66 -0.756 -6.569 -9.160 473 H PHE 67 H PHE 67 2.080 -0.817 -5.751 474 HA PHE 67 HA PHE 67 3.847 -2.698 -7.133 475 HB2 PHE 67 1HB PHE 67 4.686 -0.354 -5.483 476 HB3 PHE 67 2HB PHE 67 5.636 -1.832 -5.385 477 HD1 PHE 67 1HD PHE 67 4.100 0.351 -7.995 478 HD2 PHE 67 2HD PHE 67 7.429 -2.015 -6.797 479 HE1 PHE 67 1HE PHE 67 5.288 0.986 -10.054 480 HE2 PHE 67 2HE PHE 67 8.623 -1.384 -8.853 481 HZ PHE 67 HZ PHE 67 7.553 0.119 -10.485 482 H PHE 68 H PHE 68 5.155 -3.956 -5.362 483 HA PHE 68 HA PHE 68 3.593 -4.379 -2.938 484 HB2 PHE 68 1HB PHE 68 3.799 -6.308 -5.194 485 HB3 PHE 68 2HB PHE 68 3.907 -6.961 -3.563 486 HD1 PHE 68 1HD PHE 68 2.012 -6.857 -2.052 487 HD2 PHE 68 2HD PHE 68 1.752 -5.356 -6.026 488 HE1 PHE 68 1HE PHE 68 -0.441 -6.813 -1.871 489 HE2 PHE 68 2HE PHE 68 -0.702 -5.309 -5.851 490 HZ PHE 68 HZ PHE 68 -1.802 -6.038 -3.771 491 H VAL 69 H VAL 69 5.202 -3.919 -1.545 492 HA VAL 69 HA VAL 69 7.665 -5.526 -1.759 493 HB VAL 69 HB VAL 69 7.462 -2.713 -0.676 494 HG11 VAL 69 1HG1 VAL 69 9.331 -4.737 -0.149 495 HG12 VAL 69 2HG1 VAL 69 10.120 -3.620 -1.265 496 HG13 VAL 69 3HG1 VAL 69 9.453 -3.025 0.256 497 HG21 VAL 69 1HG2 VAL 69 8.759 -2.052 -2.628 498 HG22 VAL 69 2HG2 VAL 69 8.737 -3.712 -3.222 499 HG23 VAL 69 3HG2 VAL 69 7.235 -2.793 -3.116 500 H GLU 70 H GLU 70 7.979 -6.849 -0.101 501 HA GLU 70 HA GLU 70 7.724 -7.883 1.913 502 HB2 GLU 70 1HB GLU 70 7.678 -5.019 2.878 503 HB3 GLU 70 2HB GLU 70 7.926 -6.427 3.900 504 HG2 GLU 70 1HG GLU 70 9.947 -6.961 2.531 505 HG3 GLU 70 2HG GLU 70 9.731 -5.409 1.723 506 H GLY 71 H GLY 71 5.375 -7.812 0.549 507 HA2 GLY 71 1HA GLY 71 3.116 -8.096 0.837 508 HA3 GLY 71 2HA GLY 71 3.462 -8.245 2.554 509 H GLU 72 H GLU 72 4.120 -5.404 0.580 510 HA GLU 72 HA GLU 72 1.833 -4.011 1.742 511 HB2 GLU 72 1HB GLU 72 3.766 -3.690 3.288 512 HB3 GLU 72 2HB GLU 72 4.648 -2.937 1.967 513 HG2 GLU 72 1HG GLU 72 3.422 -1.024 2.046 514 HG3 GLU 72 2HG GLU 72 1.979 -1.841 2.644 515 H LEU 73 H LEU 73 1.181 -2.168 0.594 516 HA LEU 73 HA LEU 73 2.067 -2.144 -2.175 517 HB2 LEU 73 1HB LEU 73 -0.310 -1.231 -0.682 518 HB3 LEU 73 2HB LEU 73 0.139 -0.268 -2.088 519 HG LEU 73 HG LEU 73 -0.171 -3.235 -2.337 520 HD11 LEU 73 1HD1 LEU 73 -2.484 -3.092 -2.684 521 HD12 LEU 73 2HD1 LEU 73 -2.459 -1.329 -2.714 522 HD13 LEU 73 3HD1 LEU 73 -2.193 -2.188 -1.197 523 HD21 LEU 73 1HD2 LEU 73 0.747 -1.521 -4.101 524 HD22 LEU 73 2HD2 LEU 73 -0.967 -1.196 -4.359 525 HD23 LEU 73 3HD2 LEU 73 -0.334 -2.827 -4.587 526 H TYR 74 H TYR 74 2.696 -0.239 -3.283 527 HA TYR 74 HA TYR 74 3.268 2.162 -1.783 528 HB2 TYR 74 1HB TYR 74 5.464 0.357 -2.786 529 HB3 TYR 74 2HB TYR 74 5.721 2.077 -2.513 530 HD1 TYR 74 2HD TYR 74 5.317 2.994 -0.177 531 HD2 TYR 74 1HD TYR 74 5.567 -1.172 -1.005 532 HE1 TYR 74 2HE TYR 74 5.765 2.554 2.201 533 HE2 TYR 74 1HE TYR 74 6.014 -1.624 1.371 534 HH TYR 74 HH TYR 74 7.066 -0.131 3.362 535 H CYS 75 H CYS 75 4.218 3.866 -3.186 536 HA CYS 75 HA CYS 75 2.953 3.775 -5.790 537 HB2 CYS 75 1HB CYS 75 3.561 6.160 -5.916 538 HB3 CYS 75 2HB CYS 75 2.705 5.784 -4.425 539 H GLU 76 H GLU 76 4.094 4.505 -7.735 540 HA GLU 76 HA GLU 76 6.241 2.953 -8.421 541 HB2 GLU 76 1HB GLU 76 4.737 4.368 -9.927 542 HB3 GLU 76 2HB GLU 76 5.832 5.700 -9.586 543 HG2 GLU 76 1HG GLU 76 7.685 4.441 -10.531 544 HG3 GLU 76 2HG GLU 76 6.610 3.079 -10.845 545 H THR 77 H THR 77 6.289 6.206 -7.052 546 HA THR 77 HA THR 77 9.044 6.692 -7.307 547 HB THR 77 HB THR 77 7.167 7.734 -5.176 548 HG1 THR 77 1HG THR 77 7.949 8.963 -7.624 549 HG21 THR 77 1HG2 THR 77 8.742 9.336 -4.638 550 HG22 THR 77 2HG2 THR 77 9.578 9.186 -6.184 551 HG23 THR 77 3HG2 THR 77 9.768 7.937 -4.953 552 H HIS 78 H HIS 78 7.373 6.016 -4.232 553 HA HIS 78 HA HIS 78 9.653 5.322 -2.799 554 HB2 HIS 78 1HB HIS 78 6.742 4.663 -2.444 555 HB3 HIS 78 2HB HIS 78 7.953 4.019 -1.340 556 HD2 HIS 78 2HD HIS 78 9.738 6.640 -0.773 557 HE1 HIS 78 1HE HIS 78 6.062 8.534 0.174 558 HE2 HIS 78 2HE HIS 78 8.573 8.676 0.315 559 H ALA 79 H ALA 79 7.239 3.110 -4.218 560 HA ALA 79 HA ALA 79 8.328 0.691 -3.649 561 HB1 ALA 79 1HB ALA 79 7.178 -0.208 -5.503 562 HB2 ALA 79 2HB ALA 79 6.232 1.185 -4.979 563 HB3 ALA 79 3HB ALA 79 7.274 1.310 -6.396 564 H ARG 80 H ARG 80 9.111 2.548 -6.598 565 HA ARG 80 HA ARG 80 11.051 0.933 -7.659 566 HB2 ARG 80 1HB ARG 80 10.570 3.871 -7.705 567 HB3 ARG 80 2HB ARG 80 12.114 3.288 -8.312 568 HG2 ARG 80 1HG ARG 80 10.594 1.641 -9.677 569 HG3 ARG 80 2HG ARG 80 9.374 2.884 -9.393 570 HD2 ARG 80 1HD ARG 80 10.687 4.539 -10.480 571 HD3 ARG 80 2HD ARG 80 12.098 3.481 -10.525 572 HE ARG 80 HE ARG 80 9.874 3.491 -12.353 573 HH11 ARG 80 2HH1 ARG 80 12.498 1.628 -11.026 574 HH12 ARG 80 1HH1 ARG 80 12.597 0.557 -12.384 575 HH21 ARG 80 2HH2 ARG 80 9.995 2.088 -14.147 576 HH22 ARG 80 1HH2 ARG 80 11.173 0.820 -14.159 577 H ALA 81 H ALA 81 11.438 3.363 -5.114 578 HA ALA 81 HA ALA 81 14.231 3.194 -4.865 579 HB1 ALA 81 1HB ALA 81 13.541 5.007 -3.718 580 HB2 ALA 81 2HB ALA 81 12.012 4.262 -3.247 581 HB3 ALA 81 3HB ALA 81 13.490 3.874 -2.366 582 H ARG 82 H ARG 82 11.622 1.386 -3.302 583 HA ARG 82 HA ARG 82 13.330 -0.079 -1.557 584 HB2 ARG 82 1HB ARG 82 10.567 -0.853 -2.501 585 HB3 ARG 82 2HB ARG 82 11.386 -1.410 -1.048 586 HG2 ARG 82 1HG ARG 82 11.131 0.647 0.027 587 HG3 ARG 82 2HG ARG 82 10.770 1.489 -1.481 588 HD2 ARG 82 1HD ARG 82 8.684 1.298 -0.483 589 HD3 ARG 82 2HD ARG 82 8.717 -0.072 -1.593 590 HE ARG 82 HE ARG 82 8.473 -1.420 0.219 591 HH11 ARG 82 2HH1 ARG 82 9.999 1.531 1.258 592 HH12 ARG 82 1HH1 ARG 82 10.045 1.073 2.928 593 HH21 ARG 82 2HH2 ARG 82 8.529 -2.035 2.415 594 HH22 ARG 82 1HH2 ARG 82 9.210 -0.956 3.585 595 H THR 83 H THR 83 11.464 -1.151 -4.406 596 HA THR 83 HA THR 83 13.045 -3.552 -4.631 597 HB THR 83 HB THR 83 10.644 -3.578 -5.183 598 HG1 THR 83 1HG THR 83 10.946 -4.959 -6.836 599 HG21 THR 83 1HG2 THR 83 9.660 -2.218 -6.689 600 HG22 THR 83 2HG2 THR 83 11.021 -2.305 -7.807 601 HG23 THR 83 3HG2 THR 83 11.078 -1.203 -6.431 602 H SER 84 H SER 84 14.100 -0.686 -5.112 603 HA SER 84 HA SER 84 14.768 -0.001 -7.597 604 HB2 SER 84 1HB SER 84 16.948 0.755 -6.797 605 HB3 SER 84 2HB SER 84 15.720 1.054 -5.567 606 HG SER 84 HG SER 84 17.958 -0.326 -5.321 607 H GLY 85 H GLY 85 16.334 -2.675 -5.850 608 HA2 GLY 85 1HA GLY 85 17.504 -3.557 -8.410 609 HA3 GLY 85 2HA GLY 85 18.133 -3.970 -6.821 610 HA PRO 86 HA PRO 86 14.147 -6.626 -7.696 611 HB2 PRO 86 1HB PRO 86 13.588 -6.951 -10.333 612 HB3 PRO 86 2HB PRO 86 12.882 -5.660 -9.353 613 HG2 PRO 86 1HG PRO 86 15.202 -5.551 -11.242 614 HG3 PRO 86 2HG PRO 86 13.872 -4.396 -11.035 615 HD2 PRO 86 1HD PRO 86 16.327 -3.998 -9.963 616 HD3 PRO 86 2HD PRO 86 14.840 -3.421 -9.184 617 H SER 87 H SER 87 14.167 -8.853 -8.058 618 HA SER 87 HA SER 87 16.760 -9.934 -8.779 619 HB2 SER 87 1HB SER 87 15.528 -10.717 -6.751 620 HB3 SER 87 2HB SER 87 14.294 -11.400 -7.810 621 HG SER 87 HG SER 87 15.858 -12.955 -7.196 622 H SER 88 H SER 88 17.240 -11.026 -10.590 623 HA SER 88 HA SER 88 15.164 -11.216 -12.638 624 HB2 SER 88 1HB SER 88 17.366 -10.106 -13.132 625 HB3 SER 88 2HB SER 88 18.138 -11.681 -12.946 626 HG SER 88 HG SER 88 17.665 -11.283 -15.123 627 H GLY 89 H GLY 89 14.605 -13.114 -13.667 628 HA2 GLY 89 1HA GLY 89 15.938 -15.596 -12.986 629 HA3 GLY 89 2HA GLY 89 14.312 -15.433 -12.338 Start of MODEL 10 1 H1 GLY 1 H GLY 1 17.246 -32.022 18.041 2 HA2 GLY 1 1HA GLY 1 17.314 -32.541 15.412 3 HA3 GLY 1 2HA GLY 1 15.906 -33.468 15.910 4 H SER 2 H SER 2 14.564 -32.169 14.599 5 HA SER 2 HA SER 2 13.944 -29.564 15.814 6 HB2 SER 2 1HB SER 2 13.604 -28.556 13.650 7 HB3 SER 2 2HB SER 2 15.210 -29.283 13.664 8 HG SER 2 HG SER 2 13.204 -30.957 12.801 9 H SER 3 H SER 3 11.877 -29.344 16.362 10 HA SER 3 HA SER 3 9.760 -30.584 14.845 11 HB2 SER 3 1HB SER 3 10.458 -31.527 17.625 12 HB3 SER 3 2HB SER 3 8.842 -31.722 16.947 13 HG SER 3 HG SER 3 9.620 -33.453 16.062 14 H GLY 4 H GLY 4 7.581 -30.115 15.921 15 HA2 GLY 4 1HA GLY 4 7.718 -27.546 17.372 16 HA3 GLY 4 2HA GLY 4 6.639 -27.771 16.003 17 H SER 5 H SER 5 5.278 -26.957 17.986 18 HA SER 5 HA SER 5 3.639 -29.166 18.761 19 HB2 SER 5 1HB SER 5 5.512 -27.942 20.744 20 HB3 SER 5 2HB SER 5 3.906 -28.426 21.288 21 HG SER 5 HG SER 5 4.417 -30.473 21.023 22 H SER 6 H SER 6 1.719 -28.468 19.970 23 HA SER 6 HA SER 6 1.221 -25.600 20.041 24 HB2 SER 6 1HB SER 6 -0.555 -27.458 18.441 25 HB3 SER 6 2HB SER 6 -0.775 -25.722 18.659 26 HG SER 6 HG SER 6 0.847 -27.072 16.926 27 H GLY 7 H GLY 7 -1.019 -25.153 20.943 28 HA2 GLY 7 1HA GLY 7 -2.784 -26.712 22.165 29 HA3 GLY 7 2HA GLY 7 -1.404 -26.916 23.235 30 H VAL 8 H VAL 8 -4.203 -25.340 22.990 31 HA VAL 8 HA VAL 8 -3.287 -23.194 24.749 32 HB VAL 8 HB VAL 8 -4.678 -21.519 23.599 33 HG11 VAL 8 1HG1 VAL 8 -3.204 -21.178 21.652 34 HG12 VAL 8 2HG1 VAL 8 -2.307 -21.589 23.115 35 HG13 VAL 8 3HG1 VAL 8 -2.571 -22.809 21.869 36 HG21 VAL 8 1HG2 VAL 8 -6.283 -22.959 22.518 37 HG22 VAL 8 2HG2 VAL 8 -5.460 -21.989 21.296 38 HG23 VAL 8 3HG2 VAL 8 -5.018 -23.681 21.523 39 H ARG 9 H ARG 9 -4.902 -22.368 26.138 40 HA ARG 9 HA ARG 9 -7.513 -23.680 26.089 41 HB2 ARG 9 1HB ARG 9 -6.284 -25.152 27.514 42 HB3 ARG 9 2HB ARG 9 -5.562 -23.806 28.386 43 HG2 ARG 9 1HG ARG 9 -7.238 -24.767 29.773 44 HG3 ARG 9 2HG ARG 9 -7.839 -23.208 29.205 45 HD2 ARG 9 1HD ARG 9 -9.589 -24.889 29.091 46 HD3 ARG 9 2HD ARG 9 -9.142 -24.352 27.473 47 HE ARG 9 HE ARG 9 -7.622 -26.513 27.710 48 HH11 ARG 9 2HH1 ARG 9 -10.969 -26.019 28.533 49 HH12 ARG 9 1HH1 ARG 9 -11.419 -27.666 28.239 50 HH21 ARG 9 2HH2 ARG 9 -8.203 -28.684 27.319 51 HH22 ARG 9 1HH2 ARG 9 -9.846 -29.181 27.550 52 H ALA 10 H ALA 10 -8.845 -21.992 25.997 53 HA ALA 10 HA ALA 10 -8.818 -20.046 28.135 54 HB1 ALA 10 1HB ALA 10 -7.290 -18.963 26.636 55 HB2 ALA 10 2HB ALA 10 -8.388 -19.197 25.275 56 HB3 ALA 10 3HB ALA 10 -8.830 -18.103 26.586 57 HA PRO 11 HA PRO 11 -13.164 -20.235 27.534 58 HB2 PRO 11 1HB PRO 11 -13.914 -17.804 28.484 59 HB3 PRO 11 2HB PRO 11 -13.361 -19.116 29.531 60 HG2 PRO 11 1HG PRO 11 -11.848 -16.746 28.503 61 HG3 PRO 11 2HG PRO 11 -11.848 -17.454 30.129 62 HD2 PRO 11 1HD PRO 11 -9.875 -17.925 28.336 63 HD3 PRO 11 2HD PRO 11 -10.382 -19.130 29.537 64 H VAL 12 H VAL 12 -15.031 -18.655 26.756 65 HA VAL 12 HA VAL 12 -14.270 -16.856 24.636 66 HB VAL 12 HB VAL 12 -14.074 -19.080 23.544 67 HG11 VAL 12 1HG1 VAL 12 -17.020 -19.406 23.545 68 HG12 VAL 12 2HG1 VAL 12 -15.742 -20.622 23.467 69 HG13 VAL 12 3HG1 VAL 12 -16.152 -19.869 25.009 70 HG21 VAL 12 1HG2 VAL 12 -16.031 -17.014 22.670 71 HG22 VAL 12 2HG2 VAL 12 -14.475 -17.462 21.970 72 HG23 VAL 12 3HG2 VAL 12 -15.884 -18.494 21.722 73 H THR 13 H THR 13 -15.949 -15.529 23.965 74 HA THR 13 HA THR 13 -18.233 -15.464 25.751 75 HB THR 13 HB THR 13 -17.058 -13.370 25.253 76 HG1 THR 13 1HG THR 13 -18.992 -12.193 24.570 77 HG21 THR 13 1HG2 THR 13 -17.848 -12.555 22.775 78 HG22 THR 13 2HG2 THR 13 -17.500 -14.260 22.489 79 HG23 THR 13 3HG2 THR 13 -16.254 -13.206 23.155 80 H LYS 14 H LYS 14 -20.423 -15.192 24.959 81 HA LYS 14 HA LYS 14 -21.274 -17.198 23.260 82 HB2 LYS 14 1HB LYS 14 -22.527 -14.706 24.319 83 HB3 LYS 14 2HB LYS 14 -23.365 -15.579 23.043 84 HG2 LYS 14 1HG LYS 14 -23.485 -17.556 24.392 85 HG3 LYS 14 2HG LYS 14 -22.474 -16.819 25.637 86 HD2 LYS 14 1HD LYS 14 -24.495 -16.392 26.576 87 HD3 LYS 14 2HD LYS 14 -24.412 -14.980 25.521 88 HE2 LYS 14 1HE LYS 14 -25.609 -17.537 24.530 89 HE3 LYS 14 2HE LYS 14 -26.557 -16.448 25.542 90 HZ1 LYS 14 1HZ LYS 14 -25.240 -15.694 22.988 91 HZ2 LYS 14 2HZ LYS 14 -26.205 -14.688 23.945 92 HZ3 LYS 14 3HZ LYS 14 -26.888 -16.029 23.173 93 H VAL 15 H VAL 15 -20.707 -17.439 21.197 94 HA VAL 15 HA VAL 15 -20.139 -15.197 19.487 95 HB VAL 15 HB VAL 15 -20.329 -18.141 18.837 96 HG11 VAL 15 1HG1 VAL 15 -20.444 -17.348 16.731 97 HG12 VAL 15 2HG1 VAL 15 -19.841 -15.753 17.187 98 HG13 VAL 15 3HG1 VAL 15 -18.713 -17.088 16.946 99 HG21 VAL 15 1HG2 VAL 15 -18.507 -17.041 20.451 100 HG22 VAL 15 2HG2 VAL 15 -18.129 -18.364 19.348 101 HG23 VAL 15 3HG2 VAL 15 -17.743 -16.703 18.898 102 H HIS 16 H HIS 16 -21.268 -14.559 17.644 103 HA HIS 16 HA HIS 16 -24.103 -14.727 17.828 104 HB2 HIS 16 1HB HIS 16 -24.074 -13.423 15.706 105 HB3 HIS 16 2HB HIS 16 -23.081 -12.710 16.974 106 HD1 HIS 16 1HD HIS 16 -22.971 -13.694 13.505 107 HD2 HIS 16 2HD HIS 16 -20.214 -13.364 16.596 108 HE1 HIS 16 1HE HIS 16 -20.717 -13.629 12.392 109 HE2 HIS 16 2HE HIS 16 -19.061 -13.516 14.286 110 H GLY 17 H GLY 17 -25.340 -15.153 15.642 111 HA2 GLY 17 1HA GLY 17 -25.651 -17.775 15.186 112 HA3 GLY 17 2HA GLY 17 -25.860 -16.598 13.898 113 H GLY 18 H GLY 18 -24.978 -19.320 13.619 114 HA2 GLY 18 1HA GLY 18 -22.148 -19.404 13.278 115 HA3 GLY 18 2HA GLY 18 -23.303 -20.572 12.654 116 H ALA 19 H ALA 19 -23.915 -20.483 10.544 117 HA ALA 19 HA ALA 19 -23.071 -18.179 8.942 118 HB1 ALA 19 1HB ALA 19 -22.270 -21.035 8.442 119 HB2 ALA 19 2HB ALA 19 -22.210 -19.787 7.197 120 HB3 ALA 19 3HB ALA 19 -21.225 -19.629 8.651 121 H GLY 20 H GLY 20 -24.394 -17.708 7.237 122 HA2 GLY 20 1HA GLY 20 -26.157 -19.495 5.976 123 HA3 GLY 20 2HA GLY 20 -27.031 -18.677 7.263 124 H SER 21 H SER 21 -26.238 -18.562 4.049 125 HA SER 21 HA SER 21 -26.446 -17.004 2.403 126 HB2 SER 21 1HB SER 21 -28.126 -15.515 4.434 127 HB3 SER 21 2HB SER 21 -28.175 -15.322 2.682 128 HG SER 21 HG SER 21 -28.574 -17.833 3.003 129 H ALA 22 H ALA 22 -24.113 -16.801 3.869 130 HA ALA 22 HA ALA 22 -23.530 -14.256 4.891 131 HB1 ALA 22 1HB ALA 22 -21.246 -14.873 4.784 132 HB2 ALA 22 2HB ALA 22 -22.147 -16.350 5.131 133 HB3 ALA 22 3HB ALA 22 -21.550 -16.044 3.500 134 H GLN 23 H GLN 23 -22.042 -12.655 3.907 135 HA GLN 23 HA GLN 23 -23.060 -11.806 1.373 136 HB2 GLN 23 1HB GLN 23 -21.040 -10.724 3.308 137 HB3 GLN 23 2HB GLN 23 -21.190 -10.023 1.702 138 HG2 GLN 23 1HG GLN 23 -23.450 -9.397 2.100 139 HG3 GLN 23 2HG GLN 23 -23.494 -10.306 3.610 140 HE21 GLN 23 1HE2 GLN 23 -24.068 -7.508 3.172 141 HE22 GLN 23 2HE2 GLN 23 -22.961 -6.618 4.155 142 H ARG 24 H ARG 24 -20.055 -13.238 2.515 143 HA ARG 24 HA ARG 24 -18.304 -14.193 1.422 144 HB2 ARG 24 1HB ARG 24 -20.320 -14.230 -0.826 145 HB3 ARG 24 2HB ARG 24 -18.732 -14.976 -0.938 146 HG2 ARG 24 1HG ARG 24 -20.572 -15.700 1.300 147 HG3 ARG 24 2HG ARG 24 -20.782 -16.417 -0.299 148 HD2 ARG 24 1HD ARG 24 -18.447 -17.189 -0.235 149 HD3 ARG 24 2HD ARG 24 -18.279 -16.507 1.382 150 HE ARG 24 HE ARG 24 -20.375 -18.491 0.970 151 HH11 ARG 24 2HH1 ARG 24 -17.209 -17.717 2.191 152 HH12 ARG 24 1HH1 ARG 24 -17.119 -19.112 3.214 153 HH21 ARG 24 2HH2 ARG 24 -20.270 -20.331 2.313 154 HH22 ARG 24 1HH2 ARG 24 -18.861 -20.599 3.283 155 H MET 25 H MET 25 -18.176 -11.470 1.679 156 HA MET 25 HA MET 25 -17.038 -10.590 -0.892 157 HB2 MET 25 1HB MET 25 -17.639 -8.384 -0.421 158 HB3 MET 25 2HB MET 25 -19.020 -9.308 0.154 159 HG2 MET 25 1HG MET 25 -16.780 -8.392 1.936 160 HG3 MET 25 2HG MET 25 -18.251 -7.462 1.656 161 HE1 MET 25 1HE MET 25 -16.957 -8.521 4.393 162 HE2 MET 25 2HE MET 25 -17.779 -9.894 5.136 163 HE3 MET 25 3HE MET 25 -16.590 -10.162 3.859 164 HA PRO 26 HA PRO 26 -13.048 -10.359 0.924 165 HB2 PRO 26 1HB PRO 26 -11.985 -8.251 -0.417 166 HB3 PRO 26 2HB PRO 26 -12.260 -9.828 -1.167 167 HG2 PRO 26 1HG PRO 26 -13.928 -7.346 -1.309 168 HG3 PRO 26 2HG PRO 26 -13.489 -8.475 -2.605 169 HD2 PRO 26 1HD PRO 26 -15.903 -8.531 -1.379 170 HD3 PRO 26 2HD PRO 26 -15.114 -9.994 -2.003 171 H LEU 27 H LEU 27 -11.917 -9.338 2.541 172 HA LEU 27 HA LEU 27 -13.234 -7.012 3.744 173 HB2 LEU 27 1HB LEU 27 -12.559 -9.333 4.892 174 HB3 LEU 27 2HB LEU 27 -11.064 -8.439 5.165 175 HG LEU 27 HG LEU 27 -12.458 -8.267 7.113 176 HD11 LEU 27 1HD1 LEU 27 -13.038 -5.582 6.272 177 HD12 LEU 27 2HD1 LEU 27 -11.456 -6.086 5.678 178 HD13 LEU 27 3HD1 LEU 27 -11.816 -6.164 7.403 179 HD21 LEU 27 1HD2 LEU 27 -14.583 -6.972 5.423 180 HD22 LEU 27 2HD2 LEU 27 -14.683 -7.470 7.113 181 HD23 LEU 27 3HD2 LEU 27 -14.600 -8.686 5.837 182 H CYS 28 H CYS 28 -12.368 -5.084 3.414 183 HA CYS 28 HA CYS 28 -10.010 -4.549 2.081 184 HB2 CYS 28 1HB CYS 28 -11.856 -2.919 2.509 185 HB3 CYS 28 2HB CYS 28 -11.285 -2.770 4.168 186 H ASP 29 H ASP 29 -7.933 -4.697 2.594 187 HA ASP 29 HA ASP 29 -7.152 -5.424 5.274 188 HB2 ASP 29 1HB ASP 29 -6.182 -6.289 3.013 189 HB3 ASP 29 2HB ASP 29 -5.210 -4.821 3.066 190 H LYS 30 H LYS 30 -7.887 -2.554 3.964 191 HA LYS 30 HA LYS 30 -5.695 -1.060 5.204 192 HB2 LYS 30 1HB LYS 30 -6.356 -0.424 2.924 193 HB3 LYS 30 2HB LYS 30 -7.991 -0.099 3.485 194 HG2 LYS 30 1HG LYS 30 -7.209 2.014 3.555 195 HG3 LYS 30 2HG LYS 30 -6.653 1.502 5.150 196 HD2 LYS 30 1HD LYS 30 -4.490 0.810 3.995 197 HD3 LYS 30 2HD LYS 30 -5.072 1.725 2.601 198 HE2 LYS 30 1HE LYS 30 -3.608 3.107 3.945 199 HE3 LYS 30 2HE LYS 30 -5.257 3.726 4.022 200 HZ1 LYS 30 1HZ LYS 30 -5.086 1.981 6.115 201 HZ2 LYS 30 2HZ LYS 30 -5.013 3.667 6.215 202 HZ3 LYS 30 3HZ LYS 30 -3.586 2.764 6.127 203 H CYS 31 H CYS 31 -9.263 -0.966 5.136 204 HA CYS 31 HA CYS 31 -9.187 0.134 7.869 205 HB2 CYS 31 1HB CYS 31 -11.339 1.178 7.404 206 HB3 CYS 31 2HB CYS 31 -10.158 1.667 6.194 207 H GLY 32 H GLY 32 -9.317 -2.721 6.688 208 HA2 GLY 32 1HA GLY 32 -10.563 -4.661 6.994 209 HA3 GLY 32 2HA GLY 32 -10.469 -4.112 8.661 210 H SER 33 H SER 33 -12.301 -2.892 5.865 211 HA SER 33 HA SER 33 -14.765 -3.323 7.426 212 HB2 SER 33 1HB SER 33 -14.044 -1.006 5.621 213 HB3 SER 33 2HB SER 33 -15.670 -1.297 6.236 214 HG SER 33 HG SER 33 -13.337 -0.586 7.646 215 H GLY 34 H GLY 34 -16.223 -4.597 6.495 216 HA2 GLY 34 1HA GLY 34 -15.989 -6.153 4.343 217 HA3 GLY 34 2HA GLY 34 -17.549 -5.479 4.793 218 H ILE 35 H ILE 35 -16.147 -6.110 2.158 219 HA ILE 35 HA ILE 35 -16.437 -3.451 0.925 220 HB ILE 35 HB ILE 35 -14.960 -5.853 -0.158 221 HG12 ILE 35 1HG1 ILE 35 -13.736 -3.257 0.751 222 HG13 ILE 35 2HG1 ILE 35 -13.992 -4.590 1.872 223 HG21 ILE 35 1HG2 ILE 35 -16.066 -3.771 -1.561 224 HG22 ILE 35 2HG2 ILE 35 -14.405 -3.236 -1.313 225 HG23 ILE 35 3HG2 ILE 35 -14.725 -4.779 -2.104 226 HD11 ILE 35 1HD1 ILE 35 -12.611 -6.025 0.418 227 HD12 ILE 35 2HD1 ILE 35 -12.294 -4.626 -0.609 228 HD13 ILE 35 3HD1 ILE 35 -11.735 -4.637 1.063 229 H VAL 36 H VAL 36 -18.108 -3.121 -0.385 230 HA VAL 36 HA VAL 36 -19.209 -5.246 -2.001 231 HB VAL 36 HB VAL 36 -20.504 -5.758 -0.100 232 HG11 VAL 36 1HG1 VAL 36 -21.897 -3.689 0.864 233 HG12 VAL 36 2HG1 VAL 36 -20.319 -4.160 1.497 234 HG13 VAL 36 3HG1 VAL 36 -20.446 -2.834 0.341 235 HG21 VAL 36 1HG2 VAL 36 -21.674 -4.889 -2.409 236 HG22 VAL 36 2HG2 VAL 36 -22.511 -5.722 -1.100 237 HG23 VAL 36 3HG2 VAL 36 -22.542 -3.961 -1.186 238 H GLY 37 H GLY 37 -19.541 -4.352 -3.922 239 HA2 GLY 37 1HA GLY 37 -20.958 -2.784 -5.183 240 HA3 GLY 37 2HA GLY 37 -20.500 -1.558 -4.010 241 H ALA 38 H ALA 38 -17.813 -1.817 -3.822 242 HA ALA 38 HA ALA 38 -16.645 -1.878 -6.474 243 HB1 ALA 38 1HB ALA 38 -16.411 0.311 -6.848 244 HB2 ALA 38 2HB ALA 38 -17.667 0.524 -5.627 245 HB3 ALA 38 3HB ALA 38 -15.966 0.641 -5.173 246 H VAL 39 H VAL 39 -14.702 -2.774 -6.312 247 HA VAL 39 HA VAL 39 -13.064 -2.248 -3.938 248 HB VAL 39 HB VAL 39 -14.402 -4.536 -3.958 249 HG11 VAL 39 1HG1 VAL 39 -13.191 -4.966 -6.258 250 HG12 VAL 39 2HG1 VAL 39 -11.894 -5.539 -5.207 251 HG13 VAL 39 3HG1 VAL 39 -13.491 -6.282 -5.123 252 HG21 VAL 39 1HG2 VAL 39 -12.846 -5.380 -2.420 253 HG22 VAL 39 2HG2 VAL 39 -11.486 -4.612 -3.240 254 HG23 VAL 39 3HG2 VAL 39 -12.642 -3.630 -2.339 255 H VAL 40 H VAL 40 -10.786 -3.024 -4.253 256 HA VAL 40 HA VAL 40 -9.978 -3.068 -7.075 257 HB VAL 40 HB VAL 40 -8.804 -1.248 -4.969 258 HG11 VAL 40 1HG1 VAL 40 -7.392 -0.457 -6.927 259 HG12 VAL 40 2HG1 VAL 40 -6.971 -2.023 -6.230 260 HG13 VAL 40 3HG1 VAL 40 -7.876 -1.944 -7.742 261 HG21 VAL 40 1HG2 VAL 40 -10.414 0.121 -5.705 262 HG22 VAL 40 2HG2 VAL 40 -9.436 0.269 -7.165 263 HG23 VAL 40 3HG2 VAL 40 -10.762 -0.892 -7.106 264 H LYS 41 H LYS 41 -9.190 -5.099 -7.146 265 HA LYS 41 HA LYS 41 -7.259 -5.912 -5.080 266 HB2 LYS 41 1HB LYS 41 -8.726 -7.653 -5.054 267 HB3 LYS 41 2HB LYS 41 -9.258 -7.369 -6.706 268 HG2 LYS 41 1HG LYS 41 -6.865 -8.244 -7.305 269 HG3 LYS 41 2HG LYS 41 -6.962 -8.975 -5.702 270 HD2 LYS 41 1HD LYS 41 -9.284 -9.816 -6.516 271 HD3 LYS 41 2HD LYS 41 -8.639 -9.490 -8.127 272 HE2 LYS 41 1HE LYS 41 -6.640 -10.898 -7.450 273 HE3 LYS 41 2HE LYS 41 -7.586 -11.394 -6.048 274 HZ1 LYS 41 1HZ LYS 41 -9.029 -12.589 -7.325 275 HZ2 LYS 41 2HZ LYS 41 -7.623 -12.777 -8.246 276 HZ3 LYS 41 3HZ LYS 41 -8.792 -11.645 -8.708 277 H ALA 42 H ALA 42 -5.185 -5.861 -5.609 278 HA ALA 42 HA ALA 42 -4.351 -5.438 -8.328 279 HB1 ALA 42 1HB ALA 42 -2.914 -5.625 -5.704 280 HB2 ALA 42 2HB ALA 42 -2.031 -5.581 -7.230 281 HB3 ALA 42 3HB ALA 42 -3.084 -4.240 -6.783 282 H ARG 43 H ARG 43 -2.866 -7.708 -6.048 283 HA ARG 43 HA ARG 43 -2.636 -9.648 -8.228 284 HB2 ARG 43 1HB ARG 43 -1.181 -9.242 -5.635 285 HB3 ARG 43 2HB ARG 43 -1.116 -10.797 -6.454 286 HG2 ARG 43 1HG ARG 43 -0.019 -9.893 -8.319 287 HG3 ARG 43 2HG ARG 43 -0.415 -8.238 -7.852 288 HD2 ARG 43 1HD ARG 43 1.124 -8.276 -6.058 289 HD3 ARG 43 2HD ARG 43 1.318 -10.025 -6.166 290 HE ARG 43 HE ARG 43 2.689 -8.036 -7.707 291 HH11 ARG 43 2HH1 ARG 43 1.567 -11.331 -7.675 292 HH12 ARG 43 1HH1 ARG 43 2.747 -11.882 -8.818 293 HH21 ARG 43 2HH2 ARG 43 4.248 -8.748 -9.213 294 HH22 ARG 43 1HH2 ARG 43 4.272 -10.411 -9.691 295 H ASP 44 H ASP 44 -2.784 -10.274 -4.752 296 HA ASP 44 HA ASP 44 -5.075 -12.060 -5.250 297 HB2 ASP 44 1HB ASP 44 -4.227 -13.613 -3.683 298 HB3 ASP 44 2HB ASP 44 -2.839 -13.142 -4.660 299 H LYS 45 H LYS 45 -3.826 -9.437 -3.442 300 HA LYS 45 HA LYS 45 -5.808 -9.665 -1.326 301 HB2 LYS 45 1HB LYS 45 -3.442 -7.931 -1.852 302 HB3 LYS 45 2HB LYS 45 -4.711 -7.298 -0.812 303 HG2 LYS 45 1HG LYS 45 -4.432 -9.647 0.361 304 HG3 LYS 45 2HG LYS 45 -2.823 -9.541 -0.358 305 HD2 LYS 45 1HD LYS 45 -4.045 -7.360 1.325 306 HD3 LYS 45 2HD LYS 45 -3.010 -8.633 1.977 307 HE2 LYS 45 1HE LYS 45 -2.095 -6.957 -0.329 308 HE3 LYS 45 2HE LYS 45 -1.964 -6.353 1.322 309 HZ1 LYS 45 1HZ LYS 45 -0.236 -7.673 1.725 310 HZ2 LYS 45 2HZ LYS 45 -0.147 -7.927 0.056 311 HZ3 LYS 45 3HZ LYS 45 -0.978 -9.028 1.035 312 H TYR 46 H TYR 46 -7.107 -7.683 -0.784 313 HA TYR 46 HA TYR 46 -7.989 -6.275 -3.213 314 HB2 TYR 46 1HB TYR 46 -9.792 -7.422 -1.071 315 HB3 TYR 46 2HB TYR 46 -10.319 -6.478 -2.460 316 HD1 TYR 46 1HD TYR 46 -8.173 -9.486 -1.846 317 HD2 TYR 46 2HD TYR 46 -11.256 -7.696 -4.169 318 HE1 TYR 46 1HE TYR 46 -8.369 -11.551 -3.167 319 HE2 TYR 46 2HE TYR 46 -11.462 -9.757 -5.495 320 HH TYR 46 HH TYR 46 -10.754 -11.837 -5.787 321 H ARG 47 H ARG 47 -8.739 -4.171 -2.932 322 HA ARG 47 HA ARG 47 -8.709 -3.023 -0.253 323 HB2 ARG 47 1HB ARG 47 -6.971 -1.963 -2.489 324 HB3 ARG 47 2HB ARG 47 -7.192 -1.208 -0.917 325 HG2 ARG 47 1HG ARG 47 -6.242 -4.013 -0.958 326 HG3 ARG 47 2HG ARG 47 -5.116 -2.757 -1.475 327 HD2 ARG 47 1HD ARG 47 -5.538 -1.556 0.641 328 HD3 ARG 47 2HD ARG 47 -6.586 -2.877 1.155 329 HE ARG 47 HE ARG 47 -4.685 -4.270 1.350 330 HH11 ARG 47 2HH1 ARG 47 -3.912 -0.983 0.503 331 HH12 ARG 47 1HH1 ARG 47 -2.248 -1.118 0.965 332 HH21 ARG 47 2HH2 ARG 47 -2.496 -4.460 1.962 333 HH22 ARG 47 1HH2 ARG 47 -1.443 -3.096 1.794 334 H HIS 48 H HIS 48 -9.954 -1.182 -0.039 335 HA HIS 48 HA HIS 48 -12.110 -0.847 -1.770 336 HB2 HIS 48 1HB HIS 48 -10.977 0.719 0.500 337 HB3 HIS 48 2HB HIS 48 -12.181 1.501 -0.520 338 HD2 HIS 48 2HD HIS 48 -14.277 -0.967 -0.875 339 HE1 HIS 48 1HE HIS 48 -14.293 -1.050 3.367 340 HE2 HIS 48 2HE HIS 48 -15.446 -1.827 1.267 341 HA PRO 49 HA PRO 49 -10.817 1.822 -5.001 342 HB2 PRO 49 1HB PRO 49 -12.912 3.531 -5.248 343 HB3 PRO 49 2HB PRO 49 -12.992 1.836 -5.743 344 HG2 PRO 49 1HG PRO 49 -13.981 3.122 -3.227 345 HG3 PRO 49 2HG PRO 49 -14.770 1.904 -4.246 346 HD2 PRO 49 1HD PRO 49 -13.492 1.271 -1.945 347 HD3 PRO 49 2HD PRO 49 -13.552 0.171 -3.337 348 H GLU 50 H GLU 50 -11.345 3.067 -1.873 349 HA GLU 50 HA GLU 50 -10.038 5.603 -2.614 350 HB2 GLU 50 1HB GLU 50 -11.081 6.582 -0.601 351 HB3 GLU 50 2HB GLU 50 -12.271 6.005 -1.759 352 HG2 GLU 50 1HG GLU 50 -12.460 3.918 -0.398 353 HG3 GLU 50 2HG GLU 50 -11.437 4.690 0.812 354 H CYS 51 H CYS 51 -9.952 2.774 -0.637 355 HA CYS 51 HA CYS 51 -8.018 3.742 1.242 356 HB2 CYS 51 1HB CYS 51 -9.008 0.973 0.558 357 HB3 CYS 51 2HB CYS 51 -7.794 1.275 1.796 358 H PHE 52 H PHE 52 -7.922 2.018 -1.811 359 HA PHE 52 HA PHE 52 -5.336 1.052 -1.816 360 HB2 PHE 52 1HB PHE 52 -7.291 1.014 -3.625 361 HB3 PHE 52 2HB PHE 52 -6.338 2.323 -4.318 362 HD1 PHE 52 2HD PHE 52 -5.357 -0.850 -2.626 363 HD2 PHE 52 1HD PHE 52 -5.225 1.519 -6.160 364 HE1 PHE 52 2HE PHE 52 -3.860 -2.499 -3.673 365 HE2 PHE 52 1HE PHE 52 -3.729 -0.127 -7.212 366 HZ PHE 52 HZ PHE 52 -3.044 -2.139 -5.968 367 H VAL 53 H VAL 53 -3.692 2.243 -1.029 368 HA VAL 53 HA VAL 53 -2.717 4.434 -2.612 369 HB VAL 53 HB VAL 53 -2.653 6.115 -0.881 370 HG11 VAL 53 1HG1 VAL 53 -4.636 6.037 -2.318 371 HG12 VAL 53 2HG1 VAL 53 -5.441 4.991 -1.147 372 HG13 VAL 53 3HG1 VAL 53 -5.023 6.648 -0.710 373 HG21 VAL 53 1HG2 VAL 53 -2.431 4.800 1.093 374 HG22 VAL 53 2HG2 VAL 53 -3.915 5.739 1.255 375 HG23 VAL 53 3HG2 VAL 53 -3.995 4.030 0.829 376 H CYS 54 H CYS 54 -0.685 5.396 -1.473 377 HA CYS 54 HA CYS 54 1.093 3.232 -1.001 378 HB2 CYS 54 1HB CYS 54 1.671 5.456 -2.070 379 HB3 CYS 54 2HB CYS 54 1.640 6.150 -0.453 380 H ALA 55 H ALA 55 2.640 3.297 0.920 381 HA ALA 55 HA ALA 55 1.033 3.533 3.372 382 HB1 ALA 55 1HB ALA 55 1.701 1.298 3.115 383 HB2 ALA 55 2HB ALA 55 3.339 1.752 2.641 384 HB3 ALA 55 3HB ALA 55 2.811 1.970 4.310 385 H ASP 56 H ASP 56 3.536 5.008 1.699 386 HA ASP 56 HA ASP 56 4.737 6.088 4.157 387 HB2 ASP 56 1HB ASP 56 6.138 4.991 2.255 388 HB3 ASP 56 2HB ASP 56 5.871 6.513 1.409 389 H CYS 57 H CYS 57 3.261 6.988 1.082 390 HA CYS 57 HA CYS 57 2.996 9.744 2.095 391 HB2 CYS 57 1HB CYS 57 2.862 10.439 -0.297 392 HB3 CYS 57 2HB CYS 57 4.415 9.735 0.143 393 H ASN 58 H ASN 58 1.377 6.922 1.147 394 HA ASN 58 HA ASN 58 -0.824 6.367 1.000 395 HB2 ASN 58 1HB ASN 58 -0.793 8.023 3.047 396 HB3 ASN 58 2HB ASN 58 -1.656 9.085 1.938 397 HD21 ASN 58 1HD2 ASN 58 -1.712 5.903 3.436 398 HD22 ASN 58 2HD2 ASN 58 -3.428 5.707 3.383 399 H LEU 59 H LEU 59 0.369 7.270 -1.314 400 HA LEU 59 HA LEU 59 -1.471 9.140 -2.578 401 HB2 LEU 59 1HB LEU 59 0.888 9.410 -3.033 402 HB3 LEU 59 2HB LEU 59 0.999 7.745 -3.599 403 HG LEU 59 HG LEU 59 -0.538 8.368 -5.475 404 HD11 LEU 59 1HD1 LEU 59 -1.557 10.333 -5.512 405 HD12 LEU 59 2HD1 LEU 59 -0.007 11.171 -5.454 406 HD13 LEU 59 3HD1 LEU 59 -0.824 10.725 -3.956 407 HD21 LEU 59 1HD2 LEU 59 1.215 9.672 -6.707 408 HD22 LEU 59 2HD2 LEU 59 1.790 8.194 -5.935 409 HD23 LEU 59 3HD2 LEU 59 2.117 9.761 -5.194 410 H ASN 60 H ASN 60 -2.899 8.628 -4.187 411 HA ASN 60 HA ASN 60 -4.122 6.148 -4.207 412 HB2 ASN 60 1HB ASN 60 -4.738 8.542 -5.276 413 HB3 ASN 60 2HB ASN 60 -4.239 7.693 -6.737 414 HD21 ASN 60 1HD2 ASN 60 -6.159 7.034 -3.823 415 HD22 ASN 60 2HD2 ASN 60 -7.473 6.281 -4.655 416 H LEU 61 H LEU 61 -3.344 4.248 -4.817 417 HA LEU 61 HA LEU 61 -1.331 4.140 -6.948 418 HB2 LEU 61 1HB LEU 61 -2.150 1.975 -5.019 419 HB3 LEU 61 2HB LEU 61 -0.772 1.946 -6.117 420 HG LEU 61 HG LEU 61 -1.059 3.870 -3.812 421 HD11 LEU 61 1HD1 LEU 61 0.950 1.730 -3.687 422 HD12 LEU 61 2HD1 LEU 61 -0.724 1.202 -3.518 423 HD13 LEU 61 3HD1 LEU 61 -0.067 2.414 -2.418 424 HD21 LEU 61 1HD2 LEU 61 1.207 4.431 -4.216 425 HD22 LEU 61 2HD2 LEU 61 0.387 4.509 -5.775 426 HD23 LEU 61 3HD2 LEU 61 1.398 3.119 -5.380 427 H LYS 62 H LYS 62 -4.446 4.239 -7.021 428 HA LYS 62 HA LYS 62 -5.265 1.795 -8.217 429 HB2 LYS 62 1HB LYS 62 -6.974 3.132 -7.274 430 HB3 LYS 62 2HB LYS 62 -6.445 4.565 -8.146 431 HG2 LYS 62 1HG LYS 62 -8.318 3.969 -9.327 432 HG3 LYS 62 2HG LYS 62 -7.049 3.170 -10.258 433 HD2 LYS 62 1HD LYS 62 -8.342 1.673 -8.031 434 HD3 LYS 62 2HD LYS 62 -9.238 1.886 -9.537 435 HE2 LYS 62 1HE LYS 62 -6.999 1.072 -10.625 436 HE3 LYS 62 2HE LYS 62 -6.702 0.396 -9.024 437 HZ1 LYS 62 1HZ LYS 62 -9.203 -0.418 -9.476 438 HZ2 LYS 62 2HZ LYS 62 -7.835 -1.337 -9.853 439 HZ3 LYS 62 3HZ LYS 62 -8.597 -0.424 -11.056 440 H GLN 63 H GLN 63 -5.099 5.000 -9.769 441 HA GLN 63 HA GLN 63 -4.923 3.877 -12.378 442 HB2 GLN 63 1HB GLN 63 -4.438 6.252 -13.061 443 HB3 GLN 63 2HB GLN 63 -5.938 6.021 -12.172 444 HG2 GLN 63 1HG GLN 63 -5.035 6.954 -10.206 445 HG3 GLN 63 2HG GLN 63 -3.391 6.882 -10.839 446 HE21 GLN 63 1HE2 GLN 63 -6.527 8.197 -11.868 447 HE22 GLN 63 2HE2 GLN 63 -5.918 9.749 -12.322 448 H LYS 64 H LYS 64 -2.581 5.305 -10.150 449 HA LYS 64 HA LYS 64 -0.385 5.174 -11.961 450 HB2 LYS 64 1HB LYS 64 -0.390 5.352 -8.942 451 HB3 LYS 64 2HB LYS 64 0.998 5.643 -9.981 452 HG2 LYS 64 1HG LYS 64 -0.170 7.542 -10.998 453 HG3 LYS 64 2HG LYS 64 -1.544 7.257 -9.927 454 HD2 LYS 64 1HD LYS 64 -0.150 7.687 -7.985 455 HD3 LYS 64 2HD LYS 64 1.265 7.891 -9.021 456 HE2 LYS 64 1HE LYS 64 -1.138 9.579 -9.522 457 HE3 LYS 64 2HE LYS 64 -0.103 9.966 -8.148 458 HZ1 LYS 64 1HZ LYS 64 0.375 10.326 -10.962 459 HZ2 LYS 64 2HZ LYS 64 1.671 9.604 -10.150 460 HZ3 LYS 64 3HZ LYS 64 1.083 11.104 -9.636 461 H GLY 65 H GLY 65 1.643 3.900 -11.318 462 HA2 GLY 65 1HA GLY 65 0.963 1.117 -11.390 463 HA3 GLY 65 2HA GLY 65 2.585 1.795 -11.394 464 H TYR 66 H TYR 66 0.345 0.053 -9.626 465 HA TYR 66 HA TYR 66 1.185 0.838 -6.994 466 HB2 TYR 66 1HB TYR 66 -0.274 -0.857 -6.188 467 HB3 TYR 66 2HB TYR 66 -1.073 -0.151 -7.588 468 HD1 TYR 66 2HD TYR 66 0.638 -3.121 -6.282 469 HD2 TYR 66 1HD TYR 66 -1.392 -1.429 -9.617 470 HE1 TYR 66 2HE TYR 66 0.430 -5.358 -7.283 471 HE2 TYR 66 1HE TYR 66 -1.606 -3.661 -10.627 472 HH TYR 66 HH TYR 66 -1.630 -6.192 -9.508 473 H PHE 67 H PHE 67 2.205 -0.648 -5.465 474 HA PHE 67 HA PHE 67 3.954 -2.651 -6.699 475 HB2 PHE 67 1HB PHE 67 4.789 -0.211 -5.192 476 HB3 PHE 67 2HB PHE 67 5.726 -1.687 -4.986 477 HD1 PHE 67 1HD PHE 67 4.218 0.281 -7.778 478 HD2 PHE 67 2HD PHE 67 7.561 -1.921 -6.332 479 HE1 PHE 67 1HE PHE 67 5.437 0.773 -9.858 480 HE2 PHE 67 2HE PHE 67 8.786 -1.432 -8.408 481 HZ PHE 67 HZ PHE 67 7.725 -0.083 -10.175 482 H PHE 68 H PHE 68 4.911 -4.141 -5.137 483 HA PHE 68 HA PHE 68 3.427 -4.290 -2.602 484 HB2 PHE 68 1HB PHE 68 3.615 -6.310 -4.776 485 HB3 PHE 68 2HB PHE 68 3.689 -6.903 -3.120 486 HD1 PHE 68 1HD PHE 68 1.820 -5.953 -1.529 487 HD2 PHE 68 2HD PHE 68 1.561 -6.086 -5.775 488 HE1 PHE 68 1HE PHE 68 -0.633 -5.844 -1.379 489 HE2 PHE 68 2HE PHE 68 -0.893 -5.975 -5.632 490 HZ PHE 68 HZ PHE 68 -1.993 -5.853 -3.432 491 H VAL 69 H VAL 69 5.024 -3.815 -1.200 492 HA VAL 69 HA VAL 69 7.493 -5.421 -1.362 493 HB VAL 69 HB VAL 69 7.161 -2.640 -0.227 494 HG11 VAL 69 1HG1 VAL 69 9.873 -3.595 -0.591 495 HG12 VAL 69 2HG1 VAL 69 9.116 -2.854 0.821 496 HG13 VAL 69 3HG1 VAL 69 8.968 -4.591 0.548 497 HG21 VAL 69 1HG2 VAL 69 7.165 -2.741 -2.687 498 HG22 VAL 69 2HG2 VAL 69 8.593 -1.927 -2.049 499 HG23 VAL 69 3HG2 VAL 69 8.712 -3.586 -2.636 500 H GLU 70 H GLU 70 7.319 -7.014 0.083 501 HA GLU 70 HA GLU 70 7.075 -8.114 2.059 502 HB2 GLU 70 1HB GLU 70 7.357 -5.303 3.122 503 HB3 GLU 70 2HB GLU 70 7.263 -6.719 4.159 504 HG2 GLU 70 1HG GLU 70 9.304 -6.653 1.996 505 HG3 GLU 70 2HG GLU 70 9.570 -5.707 3.459 506 H GLY 71 H GLY 71 4.743 -7.502 0.614 507 HA2 GLY 71 1HA GLY 71 2.495 -7.959 1.032 508 HA3 GLY 71 2HA GLY 71 2.795 -7.741 2.749 509 H GLU 72 H GLU 72 4.047 -5.130 2.414 510 HA GLU 72 HA GLU 72 1.631 -3.560 2.389 511 HB2 GLU 72 1HB GLU 72 3.583 -3.258 3.993 512 HB3 GLU 72 2HB GLU 72 4.453 -2.529 2.650 513 HG2 GLU 72 1HG GLU 72 3.469 -0.831 4.069 514 HG3 GLU 72 2HG GLU 72 2.742 -0.804 2.464 515 H LEU 73 H LEU 73 1.225 -1.750 1.054 516 HA LEU 73 HA LEU 73 2.297 -2.060 -1.640 517 HB2 LEU 73 1HB LEU 73 -0.133 -0.857 -0.443 518 HB3 LEU 73 2HB LEU 73 0.463 -0.147 -1.941 519 HG LEU 73 HG LEU 73 0.043 -3.097 -1.810 520 HD11 LEU 73 1HD1 LEU 73 -1.993 -1.356 -1.094 521 HD12 LEU 73 2HD1 LEU 73 -2.172 -3.020 -1.648 522 HD13 LEU 73 3HD1 LEU 73 -2.281 -1.691 -2.802 523 HD21 LEU 73 1HD2 LEU 73 0.380 -2.941 -3.999 524 HD22 LEU 73 2HD2 LEU 73 0.783 -1.240 -3.764 525 HD23 LEU 73 3HD2 LEU 73 -0.872 -1.709 -4.158 526 H TYR 74 H TYR 74 2.860 -0.136 -2.902 527 HA TYR 74 HA TYR 74 3.542 2.287 -1.509 528 HB2 TYR 74 1HB TYR 74 5.693 0.379 -2.419 529 HB3 TYR 74 2HB TYR 74 5.994 2.096 -2.180 530 HD1 TYR 74 2HD TYR 74 5.620 3.078 0.122 531 HD2 TYR 74 1HD TYR 74 5.685 -1.115 -0.598 532 HE1 TYR 74 2HE TYR 74 6.018 2.679 2.516 533 HE2 TYR 74 1HE TYR 74 6.082 -1.526 1.794 534 HH TYR 74 HH TYR 74 7.201 0.560 3.857 535 H CYS 75 H CYS 75 4.423 3.931 -2.953 536 HA CYS 75 HA CYS 75 3.280 3.676 -5.605 537 HB2 CYS 75 1HB CYS 75 3.762 6.077 -5.807 538 HB3 CYS 75 2HB CYS 75 2.880 5.723 -4.324 539 H GLU 76 H GLU 76 4.419 4.070 -7.548 540 HA GLU 76 HA GLU 76 6.660 2.697 -8.069 541 HB2 GLU 76 1HB GLU 76 5.278 3.901 -9.758 542 HB3 GLU 76 2HB GLU 76 6.088 5.394 -9.306 543 HG2 GLU 76 1HG GLU 76 8.257 4.229 -9.916 544 HG3 GLU 76 2HG GLU 76 7.253 2.984 -10.657 545 H THR 77 H THR 77 6.590 6.018 -6.858 546 HA THR 77 HA THR 77 9.346 6.528 -6.971 547 HB THR 77 HB THR 77 7.323 7.636 -5.014 548 HG1 THR 77 1HG THR 77 8.277 9.010 -7.277 549 HG21 THR 77 1HG2 THR 77 9.924 7.860 -4.638 550 HG22 THR 77 2HG2 THR 77 8.848 9.234 -4.381 551 HG23 THR 77 3HG2 THR 77 9.770 9.103 -5.879 552 H HIS 78 H HIS 78 7.510 5.951 -3.970 553 HA HIS 78 HA HIS 78 9.734 5.344 -2.398 554 HB2 HIS 78 1HB HIS 78 6.803 4.748 -2.137 555 HB3 HIS 78 2HB HIS 78 7.948 4.113 -0.959 556 HD2 HIS 78 2HD HIS 78 9.761 6.646 -0.301 557 HE1 HIS 78 1HE HIS 78 6.128 8.769 0.239 558 HE2 HIS 78 2HE HIS 78 8.619 8.780 0.611 559 H ALA 79 H ALA 79 7.379 3.089 -3.845 560 HA ALA 79 HA ALA 79 8.403 0.687 -3.092 561 HB1 ALA 79 1HB ALA 79 6.570 1.540 -4.982 562 HB2 ALA 79 2HB ALA 79 7.752 0.622 -5.916 563 HB3 ALA 79 3HB ALA 79 6.932 -0.131 -4.549 564 H ARG 80 H ARG 80 9.361 2.365 -6.097 565 HA ARG 80 HA ARG 80 11.316 0.718 -7.008 566 HB2 ARG 80 1HB ARG 80 10.940 3.666 -7.087 567 HB3 ARG 80 2HB ARG 80 12.512 3.044 -7.571 568 HG2 ARG 80 1HG ARG 80 11.153 1.459 -9.094 569 HG3 ARG 80 2HG ARG 80 9.840 2.611 -8.835 570 HD2 ARG 80 1HD ARG 80 11.278 4.419 -9.656 571 HD3 ARG 80 2HD ARG 80 12.577 3.258 -9.926 572 HE ARG 80 HE ARG 80 10.204 3.635 -11.544 573 HH11 ARG 80 2HH1 ARG 80 12.918 1.600 -10.763 574 HH12 ARG 80 1HH1 ARG 80 12.882 0.750 -12.272 575 HH21 ARG 80 2HH2 ARG 80 10.145 2.523 -13.535 576 HH22 ARG 80 1HH2 ARG 80 11.305 1.277 -13.849 577 H ALA 81 H ALA 81 11.628 3.092 -4.407 578 HA ALA 81 HA ALA 81 14.404 2.799 -4.004 579 HB1 ALA 81 1HB ALA 81 13.873 4.610 -2.818 580 HB2 ALA 81 2HB ALA 81 12.186 4.117 -2.667 581 HB3 ALA 81 3HB ALA 81 13.390 3.497 -1.538 582 H ARG 82 H ARG 82 11.630 1.002 -2.846 583 HA ARG 82 HA ARG 82 13.149 -0.498 -0.908 584 HB2 ARG 82 1HB ARG 82 10.358 -0.954 -1.981 585 HB3 ARG 82 2HB ARG 82 11.071 -1.775 -0.599 586 HG2 ARG 82 1HG ARG 82 10.918 0.072 0.755 587 HG3 ARG 82 2HG ARG 82 10.928 1.200 -0.603 588 HD2 ARG 82 1HD ARG 82 8.658 0.096 -1.204 589 HD3 ARG 82 2HD ARG 82 8.677 -0.452 0.472 590 HE ARG 82 HE ARG 82 8.086 2.164 -0.448 591 HH11 ARG 82 2HH1 ARG 82 9.638 0.437 2.146 592 HH12 ARG 82 1HH1 ARG 82 9.375 1.691 3.312 593 HH21 ARG 82 2HH2 ARG 82 7.734 3.822 1.079 594 HH22 ARG 82 1HH2 ARG 82 8.291 3.615 2.704 595 H THR 83 H THR 83 11.286 -1.509 -3.780 596 HA THR 83 HA THR 83 12.558 -4.035 -3.957 597 HB THR 83 HB THR 83 10.349 -3.715 -4.911 598 HG1 THR 83 1HG THR 83 10.765 -5.022 -6.560 599 HG21 THR 83 1HG2 THR 83 11.645 -1.935 -6.976 600 HG22 THR 83 2HG2 THR 83 10.705 -1.342 -5.606 601 HG23 THR 83 3HG2 THR 83 9.935 -2.341 -6.839 602 H SER 84 H SER 84 12.940 -1.031 -5.825 603 HA SER 84 HA SER 84 14.650 -0.237 -7.098 604 HB2 SER 84 1HB SER 84 15.962 -0.764 -5.019 605 HB3 SER 84 2HB SER 84 16.365 -2.324 -5.735 606 HG SER 84 HG SER 84 17.912 -0.529 -6.043 607 H GLY 85 H GLY 85 12.988 -2.028 -8.338 608 HA2 GLY 85 1HA GLY 85 13.635 -2.648 -10.702 609 HA3 GLY 85 2HA GLY 85 14.828 -3.691 -9.942 610 HA PRO 86 HA PRO 86 10.368 -5.497 -9.177 611 HB2 PRO 86 1HB PRO 86 8.560 -4.777 -11.069 612 HB3 PRO 86 2HB PRO 86 8.775 -3.886 -9.558 613 HG2 PRO 86 1HG PRO 86 9.852 -3.280 -12.285 614 HG3 PRO 86 2HG PRO 86 9.140 -2.177 -11.092 615 HD2 PRO 86 1HD PRO 86 11.815 -2.408 -11.449 616 HD3 PRO 86 2HD PRO 86 11.090 -2.037 -9.871 617 H SER 87 H SER 87 12.520 -5.497 -11.591 618 HA SER 87 HA SER 87 11.204 -7.490 -13.271 619 HB2 SER 87 1HB SER 87 12.552 -5.615 -14.276 620 HB3 SER 87 2HB SER 87 13.990 -6.348 -13.567 621 HG SER 87 HG SER 87 12.867 -8.305 -14.796 622 H SER 88 H SER 88 14.343 -7.189 -11.599 623 HA SER 88 HA SER 88 14.113 -9.906 -10.620 624 HB2 SER 88 1HB SER 88 16.208 -10.678 -11.607 625 HB3 SER 88 2HB SER 88 15.089 -10.192 -12.881 626 HG SER 88 HG SER 88 17.291 -9.405 -13.110 627 H GLY 89 H GLY 89 15.777 -10.448 -9.055 628 HA2 GLY 89 1HA GLY 89 17.676 -8.498 -8.191 629 HA3 GLY 89 2HA GLY 89 16.248 -8.498 -7.166 Start of MODEL 11 1 H1 GLY 1 H GLY 1 20.022 26.465 52.711 2 HA2 GLY 1 1HA GLY 1 21.144 24.950 50.846 3 HA3 GLY 1 2HA GLY 1 20.742 23.720 52.034 4 H SER 2 H SER 2 19.742 23.922 49.348 5 HA SER 2 HA SER 2 16.927 23.714 49.937 6 HB2 SER 2 1HB SER 2 17.822 25.732 47.866 7 HB3 SER 2 2HB SER 2 16.162 25.355 48.326 8 HG SER 2 HG SER 2 16.533 26.258 50.332 9 H SER 3 H SER 3 15.789 22.524 48.403 10 HA SER 3 HA SER 3 16.862 21.822 45.863 11 HB2 SER 3 1HB SER 3 17.358 19.477 46.270 12 HB3 SER 3 2HB SER 3 18.351 20.475 47.331 13 HG SER 3 HG SER 3 17.493 18.862 48.578 14 H GLY 4 H GLY 4 15.599 19.748 45.035 15 HA2 GLY 4 1HA GLY 4 13.237 18.817 45.958 16 HA3 GLY 4 2HA GLY 4 12.804 20.413 45.363 17 H SER 5 H SER 5 12.006 17.719 44.440 18 HA SER 5 HA SER 5 12.192 18.211 41.642 19 HB2 SER 5 1HB SER 5 14.026 16.218 42.879 20 HB3 SER 5 2HB SER 5 13.249 15.769 41.361 21 HG SER 5 HG SER 5 14.377 17.245 40.328 22 H SER 6 H SER 6 10.859 16.804 40.401 23 HA SER 6 HA SER 6 9.462 14.617 41.581 24 HB2 SER 6 1HB SER 6 8.130 17.307 41.454 25 HB3 SER 6 2HB SER 6 7.175 15.834 41.288 26 HG SER 6 HG SER 6 7.205 15.840 43.387 27 H GLY 7 H GLY 7 7.434 14.106 40.102 28 HA2 GLY 7 1HA GLY 7 7.048 14.911 37.551 29 HA3 GLY 7 2HA GLY 7 8.502 13.933 37.421 30 H VAL 8 H VAL 8 5.361 13.791 36.848 31 HA VAL 8 HA VAL 8 5.285 10.895 37.211 32 HB VAL 8 HB VAL 8 2.960 10.972 38.063 33 HG11 VAL 8 1HG1 VAL 8 3.643 10.983 40.222 34 HG12 VAL 8 2HG1 VAL 8 5.237 11.078 39.471 35 HG13 VAL 8 3HG1 VAL 8 4.456 12.541 40.073 36 HG21 VAL 8 1HG2 VAL 8 1.834 12.894 38.574 37 HG22 VAL 8 2HG2 VAL 8 3.310 13.815 38.866 38 HG23 VAL 8 3HG2 VAL 8 2.798 13.471 37.214 39 H ARG 9 H ARG 9 4.114 9.818 35.663 40 HA ARG 9 HA ARG 9 2.448 11.317 33.810 41 HB2 ARG 9 1HB ARG 9 4.972 9.886 32.977 42 HB3 ARG 9 2HB ARG 9 3.695 10.323 31.849 43 HG2 ARG 9 1HG ARG 9 5.011 12.370 33.598 44 HG3 ARG 9 2HG ARG 9 5.701 11.885 32.048 45 HD2 ARG 9 1HD ARG 9 4.427 13.646 31.358 46 HD3 ARG 9 2HD ARG 9 3.238 12.352 31.213 47 HE ARG 9 HE ARG 9 2.783 13.197 33.698 48 HH11 ARG 9 2HH1 ARG 9 3.226 14.970 30.735 49 HH12 ARG 9 1HH1 ARG 9 2.212 16.288 31.219 50 HH21 ARG 9 2HH2 ARG 9 1.445 14.926 34.347 51 HH22 ARG 9 1HH2 ARG 9 1.200 16.263 33.275 52 H ALA 10 H ALA 10 1.125 9.975 32.476 53 HA ALA 10 HA ALA 10 1.190 7.110 32.846 54 HB1 ALA 10 1HB ALA 10 -0.019 8.096 34.858 55 HB2 ALA 10 2HB ALA 10 -1.306 8.527 33.731 56 HB3 ALA 10 3HB ALA 10 -0.860 6.835 33.955 57 HA PRO 11 HA PRO 11 -0.308 7.758 28.692 58 HB2 PRO 11 1HB PRO 11 -0.257 5.138 27.981 59 HB3 PRO 11 2HB PRO 11 1.196 6.141 28.058 60 HG2 PRO 11 1HG PRO 11 0.136 4.185 30.061 61 HG3 PRO 11 2HG PRO 11 1.804 4.433 29.514 62 HD2 PRO 11 1HD PRO 11 0.874 5.432 31.852 63 HD3 PRO 11 2HD PRO 11 2.118 6.256 30.889 64 H VAL 12 H VAL 12 -2.056 6.678 27.329 65 HA VAL 12 HA VAL 12 -4.207 5.473 28.884 66 HB VAL 12 HB VAL 12 -4.572 8.050 27.351 67 HG11 VAL 12 1HG1 VAL 12 -6.644 6.422 28.817 68 HG12 VAL 12 2HG1 VAL 12 -6.908 7.913 27.910 69 HG13 VAL 12 3HG1 VAL 12 -6.437 6.437 27.066 70 HG21 VAL 12 1HG2 VAL 12 -5.537 8.584 29.775 71 HG22 VAL 12 2HG2 VAL 12 -4.342 7.369 30.227 72 HG23 VAL 12 3HG2 VAL 12 -3.839 8.821 29.361 73 H THR 13 H THR 13 -4.563 3.682 27.743 74 HA THR 13 HA THR 13 -5.061 3.956 24.858 75 HB THR 13 HB THR 13 -3.978 1.776 24.454 76 HG1 THR 13 1HG THR 13 -2.432 1.538 26.575 77 HG21 THR 13 1HG2 THR 13 -2.657 3.732 24.020 78 HG22 THR 13 2HG2 THR 13 -1.620 2.538 24.800 79 HG23 THR 13 3HG2 THR 13 -2.252 3.898 25.727 80 H LYS 14 H LYS 14 -6.684 2.680 24.026 81 HA LYS 14 HA LYS 14 -7.984 0.726 25.755 82 HB2 LYS 14 1HB LYS 14 -9.272 3.254 24.757 83 HB3 LYS 14 2HB LYS 14 -10.233 1.821 25.100 84 HG2 LYS 14 1HG LYS 14 -8.356 2.841 27.176 85 HG3 LYS 14 2HG LYS 14 -9.894 3.666 26.914 86 HD2 LYS 14 1HD LYS 14 -9.835 0.695 27.243 87 HD3 LYS 14 2HD LYS 14 -9.729 1.738 28.664 88 HE2 LYS 14 1HE LYS 14 -11.800 2.911 27.531 89 HE3 LYS 14 2HE LYS 14 -11.980 1.339 26.753 90 HZ1 LYS 14 1HZ LYS 14 -13.137 0.875 28.603 91 HZ2 LYS 14 2HZ LYS 14 -12.406 2.094 29.519 92 HZ3 LYS 14 3HZ LYS 14 -11.614 0.616 29.293 93 H VAL 15 H VAL 15 -8.903 -0.931 24.652 94 HA VAL 15 HA VAL 15 -9.308 -0.659 21.764 95 HB VAL 15 HB VAL 15 -7.052 -1.594 22.040 96 HG11 VAL 15 1HG1 VAL 15 -6.700 -2.881 23.829 97 HG12 VAL 15 2HG1 VAL 15 -8.418 -3.241 24.009 98 HG13 VAL 15 3HG1 VAL 15 -7.430 -4.187 22.896 99 HG21 VAL 15 1HG2 VAL 15 -8.549 -3.963 21.120 100 HG22 VAL 15 2HG2 VAL 15 -8.967 -2.436 20.344 101 HG23 VAL 15 3HG2 VAL 15 -7.303 -3.018 20.304 102 H HIS 16 H HIS 16 -10.774 -2.155 20.865 103 HA HIS 16 HA HIS 16 -12.069 -4.100 22.563 104 HB2 HIS 16 1HB HIS 16 -13.274 -2.107 23.242 105 HB3 HIS 16 2HB HIS 16 -13.571 -1.673 21.561 106 HD1 HIS 16 1HD HIS 16 -14.189 -4.914 23.470 107 HD2 HIS 16 2HD HIS 16 -16.188 -2.142 21.107 108 HE1 HIS 16 1HE HIS 16 -16.527 -5.806 23.220 109 HE2 HIS 16 2HE HIS 16 -17.693 -4.155 21.716 110 H GLY 17 H GLY 17 -12.930 -5.745 21.403 111 HA2 GLY 17 1HA GLY 17 -12.762 -5.497 18.477 112 HA3 GLY 17 2HA GLY 17 -12.699 -7.004 19.379 113 H GLY 18 H GLY 18 -14.367 -6.609 17.160 114 HA2 GLY 18 1HA GLY 18 -16.864 -7.424 18.264 115 HA3 GLY 18 2HA GLY 18 -16.961 -5.784 17.640 116 H ALA 19 H ALA 19 -17.819 -8.736 16.856 117 HA ALA 19 HA ALA 19 -17.796 -8.177 14.022 118 HB1 ALA 19 1HB ALA 19 -16.576 -10.777 14.913 119 HB2 ALA 19 2HB ALA 19 -16.629 -10.093 13.288 120 HB3 ALA 19 3HB ALA 19 -15.611 -9.353 14.524 121 H GLY 20 H GLY 20 -18.864 -10.149 12.835 122 HA2 GLY 20 1HA GLY 20 -20.708 -11.677 14.451 123 HA3 GLY 20 2HA GLY 20 -21.469 -10.384 13.535 124 H SER 21 H SER 21 -22.022 -10.758 11.477 125 HA SER 21 HA SER 21 -21.313 -13.364 10.351 126 HB2 SER 21 1HB SER 21 -23.567 -11.444 9.948 127 HB3 SER 21 2HB SER 21 -23.140 -12.527 8.623 128 HG SER 21 HG SER 21 -23.395 -14.274 10.105 129 H ALA 22 H ALA 22 -20.257 -13.620 8.436 130 HA ALA 22 HA ALA 22 -19.240 -11.165 7.158 131 HB1 ALA 22 1HB ALA 22 -17.769 -13.161 8.382 132 HB2 ALA 22 2HB ALA 22 -17.635 -13.529 6.662 133 HB3 ALA 22 3HB ALA 22 -17.156 -11.942 7.264 134 H GLN 23 H GLN 23 -20.020 -10.850 5.188 135 HA GLN 23 HA GLN 23 -21.432 -12.876 3.760 136 HB2 GLN 23 1HB GLN 23 -20.610 -10.057 3.094 137 HB3 GLN 23 2HB GLN 23 -21.423 -11.086 1.921 138 HG2 GLN 23 1HG GLN 23 -22.636 -10.752 4.615 139 HG3 GLN 23 2HG GLN 23 -22.766 -9.436 3.449 140 HE21 GLN 23 1HE2 GLN 23 -23.211 -10.534 1.118 141 HE22 GLN 23 2HE2 GLN 23 -24.625 -11.526 1.118 142 H ARG 24 H ARG 24 -20.883 -12.957 1.245 143 HA ARG 24 HA ARG 24 -18.324 -14.272 1.099 144 HB2 ARG 24 1HB ARG 24 -19.009 -15.032 -1.054 145 HB3 ARG 24 2HB ARG 24 -20.423 -15.111 -0.011 146 HG2 ARG 24 1HG ARG 24 -21.472 -13.354 -1.071 147 HG3 ARG 24 2HG ARG 24 -19.959 -12.691 -1.693 148 HD2 ARG 24 1HD ARG 24 -20.947 -13.616 -3.582 149 HD3 ARG 24 2HD ARG 24 -19.825 -14.872 -3.060 150 HE ARG 24 HE ARG 24 -22.146 -15.543 -1.830 151 HH11 ARG 24 2HH1 ARG 24 -21.276 -14.848 -5.129 152 HH12 ARG 24 1HH1 ARG 24 -22.480 -15.896 -5.804 153 HH21 ARG 24 2HH2 ARG 24 -23.734 -16.926 -2.707 154 HH22 ARG 24 1HH2 ARG 24 -23.878 -17.077 -4.426 155 H MET 25 H MET 25 -18.751 -11.210 1.288 156 HA MET 25 HA MET 25 -17.377 -10.339 -1.130 157 HB2 MET 25 1HB MET 25 -18.013 -8.188 -0.601 158 HB3 MET 25 2HB MET 25 -19.316 -9.106 0.141 159 HG2 MET 25 1HG MET 25 -16.942 -7.862 1.497 160 HG3 MET 25 2HG MET 25 -18.641 -7.430 1.677 161 HE1 MET 25 1HE MET 25 -16.759 -8.097 4.372 162 HE2 MET 25 2HE MET 25 -16.397 -9.818 4.510 163 HE3 MET 25 3HE MET 25 -15.784 -8.895 3.138 164 HA PRO 26 HA PRO 26 -13.340 -10.267 0.594 165 HB2 PRO 26 1HB PRO 26 -12.271 -8.119 -0.677 166 HB3 PRO 26 2HB PRO 26 -12.593 -9.654 -1.491 167 HG2 PRO 26 1HG PRO 26 -14.218 -7.140 -1.478 168 HG3 PRO 26 2HG PRO 26 -13.832 -8.215 -2.834 169 HD2 PRO 26 1HD PRO 26 -16.216 -8.285 -1.551 170 HD3 PRO 26 2HD PRO 26 -15.470 -9.732 -2.260 171 H LEU 27 H LEU 27 -12.107 -9.305 2.188 172 HA LEU 27 HA LEU 27 -13.363 -7.022 3.539 173 HB2 LEU 27 1HB LEU 27 -12.729 -9.397 4.578 174 HB3 LEU 27 2HB LEU 27 -11.194 -8.570 4.835 175 HG LEU 27 HG LEU 27 -12.559 -8.453 6.829 176 HD11 LEU 27 1HD1 LEU 27 -11.269 -6.368 5.670 177 HD12 LEU 27 2HD1 LEU 27 -11.962 -6.341 7.291 178 HD13 LEU 27 3HD1 LEU 27 -12.870 -5.678 5.933 179 HD21 LEU 27 1HD2 LEU 27 -14.607 -6.659 5.909 180 HD22 LEU 27 2HD2 LEU 27 -14.762 -8.181 6.787 181 HD23 LEU 27 3HD2 LEU 27 -14.681 -8.183 5.025 182 H CYS 28 H CYS 28 -12.452 -5.099 3.320 183 HA CYS 28 HA CYS 28 -10.136 -4.538 1.928 184 HB2 CYS 28 1HB CYS 28 -11.921 -2.895 2.545 185 HB3 CYS 28 2HB CYS 28 -11.266 -2.864 4.179 186 H ASP 29 H ASP 29 -8.041 -4.745 2.343 187 HA ASP 29 HA ASP 29 -7.171 -5.678 4.933 188 HB2 ASP 29 1HB ASP 29 -5.958 -5.416 2.229 189 HB3 ASP 29 2HB ASP 29 -4.863 -5.414 3.608 190 H LYS 30 H LYS 30 -7.874 -2.706 3.829 191 HA LYS 30 HA LYS 30 -5.603 -1.354 5.091 192 HB2 LYS 30 1HB LYS 30 -6.296 -0.546 2.884 193 HB3 LYS 30 2HB LYS 30 -7.917 -0.239 3.494 194 HG2 LYS 30 1HG LYS 30 -7.122 1.854 3.710 195 HG3 LYS 30 2HG LYS 30 -6.506 1.224 5.239 196 HD2 LYS 30 1HD LYS 30 -4.391 0.621 3.978 197 HD3 LYS 30 2HD LYS 30 -5.022 1.593 2.647 198 HE2 LYS 30 1HE LYS 30 -3.518 2.924 3.993 199 HE3 LYS 30 2HE LYS 30 -5.164 3.529 4.164 200 HZ1 LYS 30 1HZ LYS 30 -4.831 3.372 6.341 201 HZ2 LYS 30 2HZ LYS 30 -3.406 2.480 6.154 202 HZ3 LYS 30 3HZ LYS 30 -4.902 1.690 6.167 203 H CYS 31 H CYS 31 -9.167 -1.177 5.147 204 HA CYS 31 HA CYS 31 -8.980 -0.220 7.927 205 HB2 CYS 31 1HB CYS 31 -11.137 0.858 7.596 206 HB3 CYS 31 2HB CYS 31 -10.008 1.387 6.353 207 H GLY 32 H GLY 32 -9.183 -3.017 6.608 208 HA2 GLY 32 1HA GLY 32 -10.415 -4.967 6.884 209 HA3 GLY 32 2HA GLY 32 -10.267 -4.489 8.569 210 H SER 33 H SER 33 -12.178 -3.114 5.904 211 HA SER 33 HA SER 33 -14.597 -3.641 7.505 212 HB2 SER 33 1HB SER 33 -13.968 -1.217 5.805 213 HB3 SER 33 2HB SER 33 -15.536 -1.538 6.544 214 HG SER 33 HG SER 33 -14.773 -0.954 8.425 215 H GLY 34 H GLY 34 -16.028 -4.912 6.536 216 HA2 GLY 34 1HA GLY 34 -15.850 -6.268 4.245 217 HA3 GLY 34 2HA GLY 34 -17.406 -5.697 4.831 218 H ILE 35 H ILE 35 -16.161 -6.048 2.081 219 HA ILE 35 HA ILE 35 -16.617 -3.304 1.107 220 HB ILE 35 HB ILE 35 -15.110 -5.502 -0.312 221 HG12 ILE 35 1HG1 ILE 35 -13.819 -3.056 0.843 222 HG13 ILE 35 2HG1 ILE 35 -14.134 -4.442 1.882 223 HG21 ILE 35 1HG2 ILE 35 -14.652 -2.715 -1.063 224 HG22 ILE 35 2HG2 ILE 35 -14.926 -4.133 -2.073 225 HG23 ILE 35 3HG2 ILE 35 -16.296 -3.279 -1.365 226 HD11 ILE 35 1HD1 ILE 35 -11.857 -4.421 0.964 227 HD12 ILE 35 2HD1 ILE 35 -12.772 -5.848 0.478 228 HD13 ILE 35 3HD1 ILE 35 -12.531 -4.525 -0.662 229 H VAL 36 H VAL 36 -18.378 -2.960 -0.069 230 HA VAL 36 HA VAL 36 -19.473 -5.070 -1.747 231 HB VAL 36 HB VAL 36 -20.691 -5.510 0.262 232 HG11 VAL 36 1HG1 VAL 36 -20.870 -3.908 1.792 233 HG12 VAL 36 2HG1 VAL 36 -20.510 -2.653 0.604 234 HG13 VAL 36 3HG1 VAL 36 -22.169 -3.213 0.823 235 HG21 VAL 36 1HG2 VAL 36 -21.902 -4.732 -2.127 236 HG22 VAL 36 2HG2 VAL 36 -22.603 -5.733 -0.855 237 HG23 VAL 36 3HG2 VAL 36 -22.873 -3.990 -0.855 238 H GLY 37 H GLY 37 -19.765 -4.161 -3.668 239 HA2 GLY 37 1HA GLY 37 -21.172 -2.612 -4.949 240 HA3 GLY 37 2HA GLY 37 -20.774 -1.385 -3.755 241 H ALA 38 H ALA 38 -18.010 -1.861 -3.543 242 HA ALA 38 HA ALA 38 -16.860 -1.698 -6.188 243 HB1 ALA 38 1HB ALA 38 -16.947 0.510 -6.402 244 HB2 ALA 38 2HB ALA 38 -17.617 0.692 -4.781 245 HB3 ALA 38 3HB ALA 38 -15.870 0.638 -5.011 246 H VAL 39 H VAL 39 -14.951 -2.675 -6.112 247 HA VAL 39 HA VAL 39 -13.305 -2.427 -3.695 248 HB VAL 39 HB VAL 39 -14.692 -4.661 -3.944 249 HG11 VAL 39 1HG1 VAL 39 -13.501 -4.858 -6.301 250 HG12 VAL 39 2HG1 VAL 39 -12.245 -5.623 -5.326 251 HG13 VAL 39 3HG1 VAL 39 -13.882 -6.280 -5.331 252 HG21 VAL 39 1HG2 VAL 39 -12.449 -3.876 -2.545 253 HG22 VAL 39 2HG2 VAL 39 -13.386 -5.344 -2.266 254 HG23 VAL 39 3HG2 VAL 39 -11.954 -5.395 -3.294 255 H VAL 40 H VAL 40 -11.045 -2.916 -4.036 256 HA VAL 40 HA VAL 40 -10.204 -2.844 -6.854 257 HB VAL 40 HB VAL 40 -9.000 -1.158 -4.654 258 HG11 VAL 40 1HG1 VAL 40 -7.789 -0.118 -6.617 259 HG12 VAL 40 2HG1 VAL 40 -7.277 -1.744 -6.163 260 HG13 VAL 40 3HG1 VAL 40 -8.322 -1.506 -7.564 261 HG21 VAL 40 1HG2 VAL 40 -11.016 -0.104 -5.175 262 HG22 VAL 40 2HG2 VAL 40 -9.840 0.714 -6.204 263 HG23 VAL 40 3HG2 VAL 40 -10.901 -0.519 -6.885 264 H LYS 41 H LYS 41 -9.356 -4.844 -7.031 265 HA LYS 41 HA LYS 41 -7.451 -5.739 -4.978 266 HB2 LYS 41 1HB LYS 41 -8.801 -7.552 -5.140 267 HB3 LYS 41 2HB LYS 41 -9.367 -7.116 -6.747 268 HG2 LYS 41 1HG LYS 41 -6.996 -7.841 -7.504 269 HG3 LYS 41 2HG LYS 41 -6.953 -8.683 -5.953 270 HD2 LYS 41 1HD LYS 41 -9.262 -9.617 -6.690 271 HD3 LYS 41 2HD LYS 41 -8.747 -9.135 -8.308 272 HE2 LYS 41 1HE LYS 41 -8.004 -11.313 -8.217 273 HE3 LYS 41 2HE LYS 41 -6.570 -10.432 -7.693 274 HZ1 LYS 41 1HZ LYS 41 -8.040 -12.390 -6.300 275 HZ2 LYS 41 2HZ LYS 41 -8.087 -10.944 -5.424 276 HZ3 LYS 41 3HZ LYS 41 -6.599 -11.628 -5.847 277 H ALA 42 H ALA 42 -5.350 -5.727 -5.418 278 HA ALA 42 HA ALA 42 -4.427 -4.988 -8.050 279 HB1 ALA 42 1HB ALA 42 -3.201 -3.920 -6.411 280 HB2 ALA 42 2HB ALA 42 -3.129 -5.352 -5.384 281 HB3 ALA 42 3HB ALA 42 -2.142 -5.263 -6.843 282 H ARG 43 H ARG 43 -2.920 -7.416 -5.967 283 HA ARG 43 HA ARG 43 -2.689 -9.173 -8.304 284 HB2 ARG 43 1HB ARG 43 -0.722 -8.362 -6.713 285 HB3 ARG 43 2HB ARG 43 -1.254 -9.736 -5.753 286 HG2 ARG 43 1HG ARG 43 -0.828 -11.247 -7.556 287 HG3 ARG 43 2HG ARG 43 -0.499 -9.910 -8.659 288 HD2 ARG 43 1HD ARG 43 1.452 -9.286 -7.339 289 HD3 ARG 43 2HD ARG 43 1.110 -10.588 -6.200 290 HE ARG 43 HE ARG 43 2.103 -12.046 -7.646 291 HH11 ARG 43 2HH1 ARG 43 1.251 -9.152 -9.384 292 HH12 ARG 43 1HH1 ARG 43 2.039 -9.643 -10.847 293 HH21 ARG 43 2HH2 ARG 43 3.144 -12.703 -9.567 294 HH22 ARG 43 1HH2 ARG 43 3.114 -11.663 -10.950 295 H ASP 44 H ASP 44 -2.741 -9.928 -4.837 296 HA ASP 44 HA ASP 44 -4.899 -11.861 -5.382 297 HB2 ASP 44 1HB ASP 44 -2.780 -12.983 -4.871 298 HB3 ASP 44 2HB ASP 44 -2.654 -12.078 -3.365 299 H LYS 45 H LYS 45 -3.756 -9.274 -3.403 300 HA LYS 45 HA LYS 45 -5.820 -9.655 -1.390 301 HB2 LYS 45 1HB LYS 45 -3.477 -7.828 -1.714 302 HB3 LYS 45 2HB LYS 45 -4.786 -7.342 -0.644 303 HG2 LYS 45 1HG LYS 45 -4.432 -9.793 0.294 304 HG3 LYS 45 2HG LYS 45 -2.813 -9.535 -0.360 305 HD2 LYS 45 1HD LYS 45 -4.194 -7.609 1.503 306 HD3 LYS 45 2HD LYS 45 -3.098 -8.882 2.045 307 HE2 LYS 45 1HE LYS 45 -2.295 -6.837 -0.007 308 HE3 LYS 45 2HE LYS 45 -2.115 -6.551 1.724 309 HZ1 LYS 45 1HZ LYS 45 -0.918 -8.853 1.619 310 HZ2 LYS 45 2HZ LYS 45 -0.089 -7.435 1.217 311 HZ3 LYS 45 3HZ LYS 45 -0.686 -8.439 -0.006 312 H TYR 46 H TYR 46 -7.189 -7.755 -0.787 313 HA TYR 46 HA TYR 46 -8.026 -6.256 -3.182 314 HB2 TYR 46 1HB TYR 46 -9.781 -7.477 -1.043 315 HB3 TYR 46 2HB TYR 46 -10.357 -6.405 -2.314 316 HD1 TYR 46 1HD TYR 46 -8.366 -9.554 -1.970 317 HD2 TYR 46 2HD TYR 46 -11.280 -7.385 -4.184 318 HE1 TYR 46 1HE TYR 46 -8.668 -11.490 -3.456 319 HE2 TYR 46 2HE TYR 46 -11.592 -9.315 -5.676 320 HH TYR 46 HH TYR 46 -11.251 -11.830 -5.528 321 H ARG 47 H ARG 47 -8.845 -4.159 -2.852 322 HA ARG 47 HA ARG 47 -8.704 -3.028 -0.173 323 HB2 ARG 47 1HB ARG 47 -7.043 -1.976 -2.471 324 HB3 ARG 47 2HB ARG 47 -7.242 -1.177 -0.917 325 HG2 ARG 47 1HG ARG 47 -6.234 -3.973 -0.952 326 HG3 ARG 47 2HG ARG 47 -5.145 -2.671 -1.434 327 HD2 ARG 47 1HD ARG 47 -5.627 -1.522 0.696 328 HD3 ARG 47 2HD ARG 47 -6.643 -2.882 1.175 329 HE ARG 47 HE ARG 47 -4.739 -4.160 1.532 330 HH11 ARG 47 2HH1 ARG 47 -3.924 -1.067 0.158 331 HH12 ARG 47 1HH1 ARG 47 -2.231 -1.215 0.499 332 HH21 ARG 47 2HH2 ARG 47 -2.513 -4.367 1.986 333 HH22 ARG 47 1HH2 ARG 47 -1.430 -3.093 1.538 334 H HIS 48 H HIS 48 -9.943 -1.186 0.100 335 HA HIS 48 HA HIS 48 -12.175 -0.860 -1.532 336 HB2 HIS 48 1HB HIS 48 -10.967 0.639 0.723 337 HB3 HIS 48 2HB HIS 48 -12.118 1.523 -0.275 338 HD2 HIS 48 2HD HIS 48 -14.381 -0.771 -0.688 339 HE1 HIS 48 1HE HIS 48 -14.381 -1.006 3.548 340 HE2 HIS 48 2HE HIS 48 -15.597 -1.622 1.430 341 HA PRO 49 HA PRO 49 -11.054 1.822 -4.815 342 HB2 PRO 49 1HB PRO 49 -13.146 3.547 -4.940 343 HB3 PRO 49 2HB PRO 49 -13.265 1.855 -5.436 344 HG2 PRO 49 1HG PRO 49 -14.104 3.139 -2.865 345 HG3 PRO 49 2HG PRO 49 -14.958 1.930 -3.843 346 HD2 PRO 49 1HD PRO 49 -13.559 1.280 -1.618 347 HD3 PRO 49 2HD PRO 49 -13.704 0.186 -3.008 348 H GLU 50 H GLU 50 -11.416 3.069 -1.660 349 HA GLU 50 HA GLU 50 -10.105 5.584 -2.463 350 HB2 GLU 50 1HB GLU 50 -11.060 6.591 -0.421 351 HB3 GLU 50 2HB GLU 50 -12.300 6.029 -1.533 352 HG2 GLU 50 1HG GLU 50 -12.420 3.928 -0.140 353 HG3 GLU 50 2HG GLU 50 -11.418 4.767 1.043 354 H CYS 51 H CYS 51 -10.056 2.806 -0.379 355 HA CYS 51 HA CYS 51 -8.048 3.729 1.413 356 HB2 CYS 51 1HB CYS 51 -9.032 0.962 0.711 357 HB3 CYS 51 2HB CYS 51 -7.809 1.264 1.941 358 H PHE 52 H PHE 52 -8.011 2.057 -1.668 359 HA PHE 52 HA PHE 52 -5.422 1.094 -1.737 360 HB2 PHE 52 1HB PHE 52 -7.408 1.063 -3.505 361 HB3 PHE 52 2HB PHE 52 -6.491 2.397 -4.197 362 HD1 PHE 52 2HD PHE 52 -5.445 -0.802 -2.594 363 HD2 PHE 52 1HD PHE 52 -5.391 1.654 -6.070 364 HE1 PHE 52 2HE PHE 52 -3.951 -2.412 -3.703 365 HE2 PHE 52 1HE PHE 52 -3.897 0.048 -7.185 366 HZ PHE 52 HZ PHE 52 -3.174 -1.987 -6.002 367 H VAL 53 H VAL 53 -3.763 2.278 -0.972 368 HA VAL 53 HA VAL 53 -2.840 4.504 -2.543 369 HB VAL 53 HB VAL 53 -2.718 6.140 -0.766 370 HG11 VAL 53 1HG1 VAL 53 -4.731 6.112 -2.158 371 HG12 VAL 53 2HG1 VAL 53 -5.515 5.032 -1.003 372 HG13 VAL 53 3HG1 VAL 53 -5.084 6.675 -0.525 373 HG21 VAL 53 1HG2 VAL 53 -4.012 5.669 1.372 374 HG22 VAL 53 2HG2 VAL 53 -3.954 3.968 0.907 375 HG23 VAL 53 3HG2 VAL 53 -2.457 4.857 1.192 376 H CYS 54 H CYS 54 -0.777 5.449 -1.439 377 HA CYS 54 HA CYS 54 1.018 3.274 -1.068 378 HB2 CYS 54 1HB CYS 54 1.571 5.501 -2.130 379 HB3 CYS 54 2HB CYS 54 1.574 6.191 -0.510 380 H ALA 55 H ALA 55 2.610 3.271 0.797 381 HA ALA 55 HA ALA 55 1.094 3.491 3.306 382 HB1 ALA 55 1HB ALA 55 1.707 1.296 3.239 383 HB2 ALA 55 2HB ALA 55 3.183 1.619 2.328 384 HB3 ALA 55 3HB ALA 55 3.120 1.965 4.057 385 H ASP 56 H ASP 56 3.450 5.069 1.578 386 HA ASP 56 HA ASP 56 4.749 6.096 4.014 387 HB2 ASP 56 1HB ASP 56 6.099 4.991 2.063 388 HB3 ASP 56 2HB ASP 56 5.854 6.541 1.262 389 H CYS 57 H CYS 57 3.245 7.004 0.952 390 HA CYS 57 HA CYS 57 2.994 9.758 1.973 391 HB2 CYS 57 1HB CYS 57 2.864 10.470 -0.406 392 HB3 CYS 57 2HB CYS 57 4.407 9.730 0.007 393 H ASN 58 H ASN 58 1.355 6.942 1.116 394 HA ASN 58 HA ASN 58 -0.845 6.393 0.953 395 HB2 ASN 58 1HB ASN 58 -0.823 7.973 3.019 396 HB3 ASN 58 2HB ASN 58 -1.590 9.132 1.937 397 HD21 ASN 58 1HD2 ASN 58 -1.941 6.167 3.678 398 HD22 ASN 58 2HD2 ASN 58 -3.642 5.982 3.435 399 H LEU 59 H LEU 59 0.304 7.259 -1.378 400 HA LEU 59 HA LEU 59 -1.482 9.185 -2.624 401 HB2 LEU 59 1HB LEU 59 1.116 8.764 -2.987 402 HB3 LEU 59 2HB LEU 59 0.504 7.640 -4.200 403 HG LEU 59 HG LEU 59 -0.065 10.603 -4.100 404 HD11 LEU 59 1HD1 LEU 59 1.321 10.654 -6.151 405 HD12 LEU 59 2HD1 LEU 59 1.751 8.968 -5.865 406 HD13 LEU 59 3HD1 LEU 59 2.229 10.208 -4.706 407 HD21 LEU 59 1HD2 LEU 59 -1.896 9.871 -5.220 408 HD22 LEU 59 2HD2 LEU 59 -1.130 8.363 -5.718 409 HD23 LEU 59 3HD2 LEU 59 -0.757 9.864 -6.567 410 H ASN 60 H ASN 60 -3.040 8.727 -4.102 411 HA ASN 60 HA ASN 60 -4.290 6.231 -4.075 412 HB2 ASN 60 1HB ASN 60 -4.506 8.513 -6.047 413 HB3 ASN 60 2HB ASN 60 -5.569 7.109 -6.060 414 HD21 ASN 60 1HD2 ASN 60 -6.813 6.697 -4.102 415 HD22 ASN 60 2HD2 ASN 60 -7.350 8.041 -3.159 416 H LEU 61 H LEU 61 -3.245 4.441 -4.716 417 HA LEU 61 HA LEU 61 -1.507 4.446 -7.022 418 HB2 LEU 61 1HB LEU 61 -2.436 2.044 -5.473 419 HB3 LEU 61 2HB LEU 61 -0.979 2.211 -6.450 420 HG LEU 61 HG LEU 61 -1.477 3.648 -3.845 421 HD11 LEU 61 1HD1 LEU 61 0.673 1.767 -3.777 422 HD12 LEU 61 2HD1 LEU 61 -0.805 0.952 -4.284 423 HD13 LEU 61 3HD1 LEU 61 -0.769 1.848 -2.766 424 HD21 LEU 61 1HD2 LEU 61 1.263 3.411 -4.621 425 HD22 LEU 61 2HD2 LEU 61 0.312 4.867 -4.326 426 HD23 LEU 61 3HD2 LEU 61 0.344 4.144 -5.935 427 H LYS 62 H LYS 62 -4.809 3.829 -6.372 428 HA LYS 62 HA LYS 62 -5.708 1.921 -8.011 429 HB2 LYS 62 1HB LYS 62 -7.314 3.253 -6.896 430 HB3 LYS 62 2HB LYS 62 -6.751 4.726 -7.676 431 HG2 LYS 62 1HG LYS 62 -8.716 4.287 -8.795 432 HG3 LYS 62 2HG LYS 62 -7.508 3.570 -9.863 433 HD2 LYS 62 1HD LYS 62 -8.695 1.850 -7.749 434 HD3 LYS 62 2HD LYS 62 -9.701 2.262 -9.139 435 HE2 LYS 62 1HE LYS 62 -6.929 1.327 -9.653 436 HE3 LYS 62 2HE LYS 62 -8.114 0.135 -9.122 437 HZ1 LYS 62 1HZ LYS 62 -8.519 1.955 -11.431 438 HZ2 LYS 62 2HZ LYS 62 -9.497 0.653 -10.975 439 HZ3 LYS 62 3HZ LYS 62 -7.938 0.372 -11.568 440 H GLN 63 H GLN 63 -5.239 5.233 -9.260 441 HA GLN 63 HA GLN 63 -5.282 4.311 -11.978 442 HB2 GLN 63 1HB GLN 63 -4.642 6.732 -12.451 443 HB3 GLN 63 2HB GLN 63 -6.183 6.464 -11.648 444 HG2 GLN 63 1HG GLN 63 -5.300 7.132 -9.548 445 HG3 GLN 63 2HG GLN 63 -3.653 7.143 -10.176 446 HE21 GLN 63 1HE2 GLN 63 -6.819 8.597 -10.856 447 HE22 GLN 63 2HE2 GLN 63 -6.209 10.174 -11.208 448 H LYS 64 H LYS 64 -2.810 5.495 -9.740 449 HA LYS 64 HA LYS 64 -0.675 5.410 -11.612 450 HB2 LYS 64 1HB LYS 64 -0.659 5.365 -8.589 451 HB3 LYS 64 2HB LYS 64 0.776 5.553 -9.588 452 HG2 LYS 64 1HG LYS 64 -0.254 7.605 -10.558 453 HG3 LYS 64 2HG LYS 64 -1.556 7.443 -9.377 454 HD2 LYS 64 1HD LYS 64 -0.066 7.766 -7.559 455 HD3 LYS 64 2HD LYS 64 1.349 7.590 -8.599 456 HE2 LYS 64 1HE LYS 64 -0.674 9.810 -8.850 457 HE3 LYS 64 2HE LYS 64 0.832 9.943 -7.944 458 HZ1 LYS 64 1HZ LYS 64 2.086 9.910 -9.844 459 HZ2 LYS 64 2HZ LYS 64 0.715 10.729 -10.400 460 HZ3 LYS 64 3HZ LYS 64 0.920 9.087 -10.753 461 H GLY 65 H GLY 65 1.358 4.013 -10.877 462 HA2 GLY 65 1HA GLY 65 0.512 1.260 -11.234 463 HA3 GLY 65 2HA GLY 65 2.159 1.866 -11.313 464 H TYR 66 H TYR 66 -0.137 0.237 -9.435 465 HA TYR 66 HA TYR 66 0.869 0.775 -6.842 466 HB2 TYR 66 1HB TYR 66 -0.550 -0.941 -6.088 467 HB3 TYR 66 2HB TYR 66 -1.379 -0.285 -7.495 468 HD1 TYR 66 2HD TYR 66 0.618 -3.125 -6.247 469 HD2 TYR 66 1HD TYR 66 -1.762 -1.619 -9.436 470 HE1 TYR 66 2HE TYR 66 0.532 -5.375 -7.237 471 HE2 TYR 66 1HE TYR 66 -1.856 -3.865 -10.434 472 HH TYR 66 HH TYR 66 -0.658 -6.672 -8.756 473 H PHE 67 H PHE 67 1.964 -0.807 -5.448 474 HA PHE 67 HA PHE 67 3.698 -2.698 -6.848 475 HB2 PHE 67 1HB PHE 67 4.593 -0.273 -5.352 476 HB3 PHE 67 2HB PHE 67 5.568 -1.734 -5.242 477 HD1 PHE 67 1HD PHE 67 3.883 0.357 -7.832 478 HD2 PHE 67 2HD PHE 67 7.260 -2.004 -6.766 479 HE1 PHE 67 1HE PHE 67 4.946 0.913 -9.980 480 HE2 PHE 67 2HE PHE 67 8.328 -1.451 -8.912 481 HZ PHE 67 HZ PHE 67 7.172 0.010 -10.522 482 H PHE 68 H PHE 68 4.773 -4.211 -5.399 483 HA PHE 68 HA PHE 68 3.430 -4.460 -2.790 484 HB2 PHE 68 1HB PHE 68 3.668 -6.433 -5.003 485 HB3 PHE 68 2HB PHE 68 3.833 -7.043 -3.360 486 HD1 PHE 68 1HD PHE 68 1.960 -6.098 -1.701 487 HD2 PHE 68 2HD PHE 68 1.575 -6.455 -5.925 488 HE1 PHE 68 1HE PHE 68 -0.489 -6.141 -1.471 489 HE2 PHE 68 2HE PHE 68 -0.875 -6.497 -5.701 490 HZ PHE 68 HZ PHE 68 -1.910 -6.339 -3.472 491 H VAL 69 H VAL 69 5.044 -3.907 -1.436 492 HA VAL 69 HA VAL 69 7.593 -5.367 -1.700 493 HB VAL 69 HB VAL 69 7.167 -2.618 -0.520 494 HG11 VAL 69 1HG1 VAL 69 9.113 -4.468 0.125 495 HG12 VAL 69 2HG1 VAL 69 9.899 -3.433 -1.069 496 HG13 VAL 69 3HG1 VAL 69 9.200 -2.727 0.388 497 HG21 VAL 69 1HG2 VAL 69 8.757 -3.331 -2.971 498 HG22 VAL 69 2HG2 VAL 69 7.060 -2.858 -3.044 499 HG23 VAL 69 3HG2 VAL 69 8.263 -1.732 -2.415 500 H GLU 70 H GLU 70 7.422 -7.010 -0.289 501 HA GLU 70 HA GLU 70 7.318 -8.122 1.694 502 HB2 GLU 70 1HB GLU 70 7.487 -5.347 2.884 503 HB3 GLU 70 2HB GLU 70 7.701 -6.850 3.771 504 HG2 GLU 70 1HG GLU 70 9.582 -7.320 2.072 505 HG3 GLU 70 2HG GLU 70 9.491 -5.592 1.736 506 H GLY 71 H GLY 71 4.911 -7.552 0.367 507 HA2 GLY 71 1HA GLY 71 2.698 -8.070 0.899 508 HA3 GLY 71 2HA GLY 71 3.072 -7.817 2.597 509 H GLU 72 H GLU 72 4.224 -5.191 2.227 510 HA GLU 72 HA GLU 72 1.780 -3.677 2.268 511 HB2 GLU 72 1HB GLU 72 3.894 -3.350 3.729 512 HB3 GLU 72 2HB GLU 72 4.533 -2.477 2.343 513 HG2 GLU 72 1HG GLU 72 3.559 -0.954 3.955 514 HG3 GLU 72 2HG GLU 72 2.657 -0.926 2.441 515 H LEU 73 H LEU 73 1.472 -1.696 1.017 516 HA LEU 73 HA LEU 73 2.375 -2.070 -1.750 517 HB2 LEU 73 1HB LEU 73 -0.043 -0.906 -0.479 518 HB3 LEU 73 2HB LEU 73 0.481 -0.229 -2.019 519 HG LEU 73 HG LEU 73 0.183 -3.179 -1.844 520 HD11 LEU 73 1HD1 LEU 73 -2.001 -1.255 -1.405 521 HD12 LEU 73 2HD1 LEU 73 -1.881 -2.961 -0.974 522 HD13 LEU 73 3HD1 LEU 73 -2.304 -2.496 -2.622 523 HD21 LEU 73 1HD2 LEU 73 0.743 -1.391 -3.838 524 HD22 LEU 73 2HD2 LEU 73 -0.983 -1.675 -4.061 525 HD23 LEU 73 3HD2 LEU 73 0.144 -3.032 -4.076 526 H TYR 74 H TYR 74 2.708 -0.050 -3.032 527 HA TYR 74 HA TYR 74 3.392 2.369 -1.675 528 HB2 TYR 74 1HB TYR 74 5.605 0.549 -2.624 529 HB3 TYR 74 2HB TYR 74 5.834 2.275 -2.361 530 HD1 TYR 74 2HD TYR 74 5.544 3.209 -0.056 531 HD2 TYR 74 1HD TYR 74 5.588 -0.978 -0.810 532 HE1 TYR 74 2HE TYR 74 5.990 2.791 2.326 533 HE2 TYR 74 1HE TYR 74 6.033 -1.408 1.570 534 HH TYR 74 HH TYR 74 6.044 -0.475 3.639 535 H CYS 75 H CYS 75 4.093 4.047 -3.135 536 HA CYS 75 HA CYS 75 2.879 3.787 -5.723 537 HB2 CYS 75 1HB CYS 75 3.547 6.164 -6.000 538 HB3 CYS 75 2HB CYS 75 2.646 5.875 -4.515 539 H GLU 76 H GLU 76 4.036 4.578 -7.705 540 HA GLU 76 HA GLU 76 6.118 2.916 -8.400 541 HB2 GLU 76 1HB GLU 76 4.594 4.475 -9.845 542 HB3 GLU 76 2HB GLU 76 5.905 5.630 -9.653 543 HG2 GLU 76 1HG GLU 76 7.462 3.985 -10.615 544 HG3 GLU 76 2HG GLU 76 6.110 2.882 -10.864 545 H THR 77 H THR 77 6.268 6.182 -7.074 546 HA THR 77 HA THR 77 9.042 6.572 -7.377 547 HB THR 77 HB THR 77 7.217 7.759 -5.277 548 HG1 THR 77 1HG THR 77 6.932 9.417 -6.772 549 HG21 THR 77 1HG2 THR 77 9.828 7.884 -5.090 550 HG22 THR 77 2HG2 THR 77 8.849 9.326 -4.816 551 HG23 THR 77 3HG2 THR 77 9.661 9.091 -6.364 552 H HIS 78 H HIS 78 7.333 6.026 -4.294 553 HA HIS 78 HA HIS 78 9.591 5.326 -2.823 554 HB2 HIS 78 1HB HIS 78 6.660 4.769 -2.472 555 HB3 HIS 78 2HB HIS 78 7.838 4.096 -1.348 556 HD2 HIS 78 2HD HIS 78 9.716 6.629 -0.767 557 HE1 HIS 78 1HE HIS 78 6.119 8.725 0.048 558 HE2 HIS 78 2HE HIS 78 8.629 8.740 0.257 559 H ALA 79 H ALA 79 7.137 3.139 -4.210 560 HA ALA 79 HA ALA 79 8.168 0.710 -3.558 561 HB1 ALA 79 1HB ALA 79 7.087 1.330 -6.299 562 HB2 ALA 79 2HB ALA 79 7.039 -0.212 -5.444 563 HB3 ALA 79 3HB ALA 79 6.078 1.148 -4.864 564 H ARG 80 H ARG 80 8.999 2.477 -6.548 565 HA ARG 80 HA ARG 80 10.873 0.809 -7.610 566 HB2 ARG 80 1HB ARG 80 10.501 3.754 -7.628 567 HB3 ARG 80 2HB ARG 80 12.055 3.149 -8.184 568 HG2 ARG 80 1HG ARG 80 10.655 1.583 -9.681 569 HG3 ARG 80 2HG ARG 80 9.337 2.708 -9.345 570 HD2 ARG 80 1HD ARG 80 10.311 3.470 -11.345 571 HD3 ARG 80 2HD ARG 80 10.919 4.549 -10.090 572 HE ARG 80 HE ARG 80 12.651 2.322 -10.620 573 HH11 ARG 80 2HH1 ARG 80 11.762 5.544 -11.595 574 HH12 ARG 80 1HH1 ARG 80 13.300 5.891 -12.314 575 HH21 ARG 80 2HH2 ARG 80 14.680 2.767 -11.564 576 HH22 ARG 80 1HH2 ARG 80 14.958 4.311 -12.297 577 H ALA 81 H ALA 81 11.374 3.172 -5.022 578 HA ALA 81 HA ALA 81 14.157 2.841 -4.771 579 HB1 ALA 81 1HB ALA 81 13.560 4.691 -3.625 580 HB2 ALA 81 2HB ALA 81 11.999 4.024 -3.144 581 HB3 ALA 81 3HB ALA 81 13.462 3.559 -2.276 582 H ARG 82 H ARG 82 11.433 1.155 -3.283 583 HA ARG 82 HA ARG 82 13.039 -0.410 -1.518 584 HB2 ARG 82 1HB ARG 82 10.218 -0.897 -2.494 585 HB3 ARG 82 2HB ARG 82 10.987 -1.697 -1.129 586 HG2 ARG 82 1HG ARG 82 10.853 0.160 0.214 587 HG3 ARG 82 2HG ARG 82 10.802 1.276 -1.152 588 HD2 ARG 82 1HD ARG 82 8.529 0.133 -1.668 589 HD3 ARG 82 2HD ARG 82 8.611 -0.397 0.011 590 HE ARG 82 HE ARG 82 7.940 2.194 -0.910 591 HH11 ARG 82 2HH1 ARG 82 9.649 0.539 1.631 592 HH12 ARG 82 1HH1 ARG 82 9.418 1.806 2.790 593 HH21 ARG 82 2HH2 ARG 82 7.628 3.869 0.606 594 HH22 ARG 82 1HH2 ARG 82 8.267 3.700 2.206 595 H THR 83 H THR 83 11.131 -1.355 -4.383 596 HA THR 83 HA THR 83 12.596 -3.831 -4.621 597 HB THR 83 HB THR 83 10.185 -3.739 -5.148 598 HG1 THR 83 1HG THR 83 11.247 -4.335 -7.634 599 HG21 THR 83 1HG2 THR 83 9.319 -2.591 -7.020 600 HG22 THR 83 2HG2 THR 83 10.928 -2.242 -7.651 601 HG23 THR 83 3HG2 THR 83 10.353 -1.424 -6.198 602 H SER 84 H SER 84 13.776 -1.019 -5.101 603 HA SER 84 HA SER 84 14.447 -0.341 -7.584 604 HB2 SER 84 1HB SER 84 16.594 0.394 -6.812 605 HB3 SER 84 2HB SER 84 15.479 0.549 -5.455 606 HG SER 84 HG SER 84 17.341 -0.439 -4.723 607 H GLY 85 H GLY 85 15.784 -3.172 -5.916 608 HA2 GLY 85 1HA GLY 85 16.924 -4.055 -8.491 609 HA3 GLY 85 2HA GLY 85 17.523 -4.546 -6.914 610 HA PRO 86 HA PRO 86 13.369 -6.909 -7.837 611 HB2 PRO 86 1HB PRO 86 12.774 -7.122 -10.477 612 HB3 PRO 86 2HB PRO 86 12.161 -5.816 -9.457 613 HG2 PRO 86 1HG PRO 86 14.472 -5.808 -11.360 614 HG3 PRO 86 2HG PRO 86 13.223 -4.574 -11.112 615 HD2 PRO 86 1HD PRO 86 15.705 -4.369 -10.048 616 HD3 PRO 86 2HD PRO 86 14.264 -3.716 -9.242 617 H SER 87 H SER 87 16.434 -7.070 -9.148 618 HA SER 87 HA SER 87 17.810 -8.756 -9.818 619 HB2 SER 87 1HB SER 87 15.807 -10.512 -8.380 620 HB3 SER 87 2HB SER 87 17.475 -10.932 -8.768 621 HG SER 87 HG SER 87 18.194 -9.513 -7.275 622 H SER 88 H SER 88 15.897 -7.933 -11.707 623 HA SER 88 HA SER 88 14.558 -10.114 -12.923 624 HB2 SER 88 1HB SER 88 13.994 -7.703 -13.293 625 HB3 SER 88 2HB SER 88 15.470 -7.549 -14.245 626 HG SER 88 HG SER 88 13.207 -9.162 -14.796 627 H GLY 89 H GLY 89 17.523 -8.375 -13.892 628 HA2 GLY 89 1HA GLY 89 19.348 -10.185 -14.344 629 HA3 GLY 89 2HA GLY 89 18.224 -10.646 -15.613 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.273 -20.335 -59.444 2 HA2 GLY 1 1HA GLY 1 -10.781 -19.955 -58.251 3 HA3 GLY 1 2HA GLY 1 -9.551 -19.566 -57.058 4 H SER 2 H SER 2 -11.489 -17.782 -58.244 5 HA SER 2 HA SER 2 -10.203 -16.159 -60.207 6 HB2 SER 2 1HB SER 2 -12.682 -15.971 -58.562 7 HB3 SER 2 2HB SER 2 -12.048 -14.482 -59.261 8 HG SER 2 HG SER 2 -13.416 -16.450 -60.458 9 H SER 3 H SER 3 -8.913 -14.421 -59.979 10 HA SER 3 HA SER 3 -7.697 -13.951 -57.425 11 HB2 SER 3 1HB SER 3 -7.333 -12.495 -60.055 12 HB3 SER 3 2HB SER 3 -6.300 -12.322 -58.637 13 HG SER 3 HG SER 3 -5.862 -14.599 -58.845 14 H GLY 4 H GLY 4 -9.602 -11.937 -59.667 15 HA2 GLY 4 1HA GLY 4 -9.737 -9.662 -58.030 16 HA3 GLY 4 2HA GLY 4 -10.878 -10.064 -59.305 17 H SER 5 H SER 5 -10.438 -9.701 -55.987 18 HA SER 5 HA SER 5 -13.183 -10.506 -55.492 19 HB2 SER 5 1HB SER 5 -10.809 -11.887 -54.284 20 HB3 SER 5 2HB SER 5 -12.299 -11.733 -53.353 21 HG SER 5 HG SER 5 -13.365 -12.716 -55.195 22 H SER 6 H SER 6 -13.933 -9.827 -53.334 23 HA SER 6 HA SER 6 -12.336 -7.610 -52.236 24 HB2 SER 6 1HB SER 6 -14.433 -6.335 -51.912 25 HB3 SER 6 2HB SER 6 -14.120 -6.667 -53.616 26 HG SER 6 HG SER 6 -16.017 -7.547 -53.634 27 H GLY 7 H GLY 7 -12.614 -7.172 -50.013 28 HA2 GLY 7 1HA GLY 7 -13.643 -9.487 -48.514 29 HA3 GLY 7 2HA GLY 7 -12.427 -8.358 -47.935 30 H VAL 8 H VAL 8 -14.808 -9.177 -46.556 31 HA VAL 8 HA VAL 8 -16.056 -6.536 -46.238 32 HB VAL 8 HB VAL 8 -17.590 -7.997 -47.531 33 HG11 VAL 8 1HG1 VAL 8 -17.934 -9.650 -45.054 34 HG12 VAL 8 2HG1 VAL 8 -18.470 -9.989 -46.700 35 HG13 VAL 8 3HG1 VAL 8 -16.758 -10.091 -46.291 36 HG21 VAL 8 1HG2 VAL 8 -18.141 -6.504 -45.178 37 HG22 VAL 8 2HG2 VAL 8 -19.173 -6.758 -46.585 38 HG23 VAL 8 3HG2 VAL 8 -19.243 -7.881 -45.226 39 H ARG 9 H ARG 9 -16.563 -5.958 -44.155 40 HA ARG 9 HA ARG 9 -15.306 -7.543 -42.073 41 HB2 ARG 9 1HB ARG 9 -15.761 -5.583 -40.635 42 HB3 ARG 9 2HB ARG 9 -14.869 -5.159 -42.091 43 HG2 ARG 9 1HG ARG 9 -16.880 -4.292 -43.114 44 HG3 ARG 9 2HG ARG 9 -17.836 -4.802 -41.721 45 HD2 ARG 9 1HD ARG 9 -15.499 -3.007 -41.283 46 HD3 ARG 9 2HD ARG 9 -16.978 -2.324 -41.958 47 HE ARG 9 HE ARG 9 -17.969 -3.570 -39.855 48 HH11 ARG 9 2HH1 ARG 9 -15.074 -1.654 -40.117 49 HH12 ARG 9 1HH1 ARG 9 -15.126 -1.115 -38.471 50 HH21 ARG 9 2HH2 ARG 9 -18.048 -2.868 -37.686 51 HH22 ARG 9 1HH2 ARG 9 -16.817 -1.807 -37.089 52 H ALA 10 H ALA 10 -16.332 -8.641 -40.493 53 HA ALA 10 HA ALA 10 -19.274 -8.482 -40.410 54 HB1 ALA 10 1HB ALA 10 -18.531 -11.045 -39.539 55 HB2 ALA 10 2HB ALA 10 -19.370 -10.611 -41.029 56 HB3 ALA 10 3HB ALA 10 -17.611 -10.737 -41.012 57 HA PRO 11 HA PRO 11 -18.319 -7.433 -36.166 58 HB2 PRO 11 1HB PRO 11 -20.890 -6.937 -35.447 59 HB3 PRO 11 2HB PRO 11 -19.911 -5.788 -36.366 60 HG2 PRO 11 1HG PRO 11 -21.977 -7.722 -37.342 61 HG3 PRO 11 2HG PRO 11 -21.714 -6.033 -37.814 62 HD2 PRO 11 1HD PRO 11 -20.853 -8.115 -39.315 63 HD3 PRO 11 2HD PRO 11 -19.985 -6.569 -39.240 64 H VAL 12 H VAL 12 -19.259 -8.132 -34.009 65 HA VAL 12 HA VAL 12 -20.268 -10.896 -34.146 66 HB VAL 12 HB VAL 12 -18.880 -11.443 -32.170 67 HG11 VAL 12 1HG1 VAL 12 -16.910 -11.875 -33.370 68 HG12 VAL 12 2HG1 VAL 12 -18.180 -11.818 -34.594 69 HG13 VAL 12 3HG1 VAL 12 -17.104 -10.438 -34.373 70 HG21 VAL 12 1HG2 VAL 12 -17.429 -8.860 -32.703 71 HG22 VAL 12 2HG2 VAL 12 -18.648 -9.040 -31.441 72 HG23 VAL 12 3HG2 VAL 12 -17.169 -9.999 -31.381 73 H THR 13 H THR 13 -21.869 -11.418 -32.756 74 HA THR 13 HA THR 13 -23.037 -9.256 -31.204 75 HB THR 13 HB THR 13 -24.937 -10.801 -30.866 76 HG1 THR 13 1HG THR 13 -23.381 -12.576 -32.470 77 HG21 THR 13 1HG2 THR 13 -25.503 -9.671 -32.733 78 HG22 THR 13 2HG2 THR 13 -25.170 -11.200 -33.548 79 HG23 THR 13 3HG2 THR 13 -23.934 -9.943 -33.491 80 H LYS 14 H LYS 14 -23.079 -9.121 -29.034 81 HA LYS 14 HA LYS 14 -22.407 -11.430 -27.398 82 HB2 LYS 14 1HB LYS 14 -20.699 -8.970 -27.619 83 HB3 LYS 14 2HB LYS 14 -20.751 -9.886 -26.118 84 HG2 LYS 14 1HG LYS 14 -20.005 -11.885 -27.308 85 HG3 LYS 14 2HG LYS 14 -19.953 -10.966 -28.814 86 HD2 LYS 14 1HD LYS 14 -17.769 -10.762 -28.210 87 HD3 LYS 14 2HD LYS 14 -18.418 -9.378 -27.327 88 HE2 LYS 14 1HE LYS 14 -18.276 -12.085 -26.051 89 HE3 LYS 14 2HE LYS 14 -16.859 -11.037 -26.098 90 HZ1 LYS 14 1HZ LYS 14 -17.657 -9.906 -24.390 91 HZ2 LYS 14 2HZ LYS 14 -18.978 -10.959 -24.298 92 HZ3 LYS 14 3HZ LYS 14 -19.083 -9.551 -25.229 93 H VAL 15 H VAL 15 -22.565 -10.850 -25.018 94 HA VAL 15 HA VAL 15 -24.490 -8.676 -24.561 95 HB VAL 15 HB VAL 15 -25.767 -10.126 -23.025 96 HG11 VAL 15 1HG1 VAL 15 -27.142 -10.793 -24.676 97 HG12 VAL 15 2HG1 VAL 15 -25.992 -9.952 -25.717 98 HG13 VAL 15 3HG1 VAL 15 -25.877 -11.699 -25.506 99 HG21 VAL 15 1HG2 VAL 15 -24.064 -11.733 -22.441 100 HG22 VAL 15 2HG2 VAL 15 -25.440 -12.576 -23.152 101 HG23 VAL 15 3HG2 VAL 15 -23.983 -12.304 -24.108 102 H HIS 16 H HIS 16 -24.316 -7.624 -22.620 103 HA HIS 16 HA HIS 16 -21.830 -7.890 -21.228 104 HB2 HIS 16 1HB HIS 16 -22.412 -5.919 -20.096 105 HB3 HIS 16 2HB HIS 16 -23.170 -5.736 -21.675 106 HD1 HIS 16 1HD HIS 16 -23.902 -5.143 -18.300 107 HD2 HIS 16 2HD HIS 16 -26.035 -6.861 -21.424 108 HE1 HIS 16 1HE HIS 16 -26.319 -5.001 -17.622 109 HE2 HIS 16 2HE HIS 16 -27.584 -6.123 -19.489 110 H GLY 17 H GLY 17 -21.389 -8.927 -19.375 111 HA2 GLY 17 1HA GLY 17 -23.555 -10.462 -18.143 112 HA3 GLY 17 2HA GLY 17 -21.834 -10.736 -17.920 113 H GLY 18 H GLY 18 -20.741 -9.677 -16.299 114 HA2 GLY 18 1HA GLY 18 -20.580 -7.855 -14.708 115 HA3 GLY 18 2HA GLY 18 -22.335 -7.841 -14.628 116 H ALA 19 H ALA 19 -22.854 -8.359 -12.602 117 HA ALA 19 HA ALA 19 -22.079 -10.970 -11.600 118 HB1 ALA 19 1HB ALA 19 -21.588 -8.577 -9.847 119 HB2 ALA 19 2HB ALA 19 -21.113 -10.254 -9.571 120 HB3 ALA 19 3HB ALA 19 -20.325 -9.311 -10.836 121 H GLY 20 H GLY 20 -23.591 -11.865 -10.259 122 HA2 GLY 20 1HA GLY 20 -26.109 -10.415 -10.044 123 HA3 GLY 20 2HA GLY 20 -25.862 -12.126 -9.731 124 H SER 21 H SER 21 -25.730 -12.790 -7.679 125 HA SER 21 HA SER 21 -25.346 -10.735 -5.600 126 HB2 SER 21 1HB SER 21 -26.891 -12.035 -4.171 127 HB3 SER 21 2HB SER 21 -27.678 -11.469 -5.644 128 HG SER 21 HG SER 21 -26.946 -13.684 -6.443 129 H ALA 22 H ALA 22 -23.450 -11.030 -4.648 130 HA ALA 22 HA ALA 22 -22.210 -13.652 -4.572 131 HB1 ALA 22 1HB ALA 22 -20.936 -11.577 -5.126 132 HB2 ALA 22 2HB ALA 22 -21.145 -11.068 -3.450 133 HB3 ALA 22 3HB ALA 22 -20.239 -12.535 -3.819 134 H GLN 23 H GLN 23 -22.265 -14.998 -2.894 135 HA GLN 23 HA GLN 23 -23.868 -14.603 -0.656 136 HB2 GLN 23 1HB GLN 23 -21.621 -16.528 -1.212 137 HB3 GLN 23 2HB GLN 23 -22.506 -16.556 0.308 138 HG2 GLN 23 1HG GLN 23 -24.609 -16.791 -1.073 139 HG3 GLN 23 2HG GLN 23 -23.553 -17.081 -2.455 140 HE21 GLN 23 1HE2 GLN 23 -23.596 -18.132 0.937 141 HE22 GLN 23 2HE2 GLN 23 -23.459 -19.819 0.594 142 H ARG 24 H ARG 24 -20.321 -14.424 -0.908 143 HA ARG 24 HA ARG 24 -20.326 -12.837 1.575 144 HB2 ARG 24 1HB ARG 24 -18.248 -13.796 2.220 145 HB3 ARG 24 2HB ARG 24 -19.294 -15.133 1.761 146 HG2 ARG 24 1HG ARG 24 -18.136 -15.515 -0.228 147 HG3 ARG 24 2HG ARG 24 -17.363 -13.928 -0.186 148 HD2 ARG 24 1HD ARG 24 -16.058 -14.609 1.761 149 HD3 ARG 24 2HD ARG 24 -16.846 -16.186 1.747 150 HE ARG 24 HE ARG 24 -15.048 -15.207 -0.375 151 HH11 ARG 24 2HH1 ARG 24 -16.444 -17.773 1.518 152 HH12 ARG 24 1HH1 ARG 24 -15.489 -19.015 0.778 153 HH21 ARG 24 2HH2 ARG 24 -13.784 -16.833 -1.357 154 HH22 ARG 24 1HH2 ARG 24 -13.976 -18.479 -0.857 155 H MET 25 H MET 25 -18.465 -11.334 1.763 156 HA MET 25 HA MET 25 -17.513 -10.387 -0.853 157 HB2 MET 25 1HB MET 25 -18.044 -8.146 -0.379 158 HB3 MET 25 2HB MET 25 -19.471 -9.049 0.110 159 HG2 MET 25 1HG MET 25 -17.306 -8.117 1.980 160 HG3 MET 25 2HG MET 25 -18.829 -7.278 1.699 161 HE1 MET 25 1HE MET 25 -16.932 -9.258 3.879 162 HE2 MET 25 2HE MET 25 -18.018 -8.224 4.808 163 HE3 MET 25 3HE MET 25 -18.092 -9.977 4.996 164 HA PRO 26 HA PRO 26 -13.528 -10.203 0.980 165 HB2 PRO 26 1HB PRO 26 -12.415 -8.154 -0.411 166 HB3 PRO 26 2HB PRO 26 -12.719 -9.745 -1.121 167 HG2 PRO 26 1HG PRO 26 -14.334 -7.234 -1.338 168 HG3 PRO 26 2HG PRO 26 -13.913 -8.406 -2.600 169 HD2 PRO 26 1HD PRO 26 -16.333 -8.379 -1.387 170 HD3 PRO 26 2HD PRO 26 -15.573 -9.874 -1.966 171 H LEU 27 H LEU 27 -12.386 -9.164 2.577 172 HA LEU 27 HA LEU 27 -13.657 -6.774 3.705 173 HB2 LEU 27 1HB LEU 27 -13.042 -9.084 4.919 174 HB3 LEU 27 2HB LEU 27 -11.539 -8.205 5.193 175 HG LEU 27 HG LEU 27 -13.028 -8.004 7.103 176 HD11 LEU 27 1HD1 LEU 27 -13.393 -5.298 6.485 177 HD12 LEU 27 2HD1 LEU 27 -11.956 -5.807 5.599 178 HD13 LEU 27 3HD1 LEU 27 -12.040 -6.034 7.345 179 HD21 LEU 27 1HD2 LEU 27 -14.997 -7.523 5.026 180 HD22 LEU 27 2HD2 LEU 27 -15.052 -6.302 6.298 181 HD23 LEU 27 3HD2 LEU 27 -15.220 -8.010 6.707 182 H CYS 28 H CYS 28 -12.725 -4.870 3.413 183 HA CYS 28 HA CYS 28 -10.372 -4.406 2.047 184 HB2 CYS 28 1HB CYS 28 -12.158 -2.719 2.517 185 HB3 CYS 28 2HB CYS 28 -11.548 -2.597 4.164 186 H ASP 29 H ASP 29 -8.290 -4.608 2.526 187 HA ASP 29 HA ASP 29 -7.491 -5.387 5.187 188 HB2 ASP 29 1HB ASP 29 -6.220 -5.306 2.502 189 HB3 ASP 29 2HB ASP 29 -5.148 -5.204 3.896 190 H LYS 30 H LYS 30 -8.146 -2.483 3.896 191 HA LYS 30 HA LYS 30 -5.896 -1.070 5.125 192 HB2 LYS 30 1HB LYS 30 -6.574 -0.408 2.849 193 HB3 LYS 30 2HB LYS 30 -8.179 -0.009 3.448 194 HG2 LYS 30 1HG LYS 30 -7.306 2.065 3.519 195 HG3 LYS 30 2HG LYS 30 -6.716 1.515 5.089 196 HD2 LYS 30 1HD LYS 30 -4.621 0.756 3.883 197 HD3 LYS 30 2HD LYS 30 -5.214 1.654 2.484 198 HE2 LYS 30 1HE LYS 30 -4.888 2.907 5.199 199 HE3 LYS 30 2HE LYS 30 -3.585 2.862 4.013 200 HZ1 LYS 30 1HZ LYS 30 -6.253 4.094 3.582 201 HZ2 LYS 30 2HZ LYS 30 -4.977 4.078 2.472 202 HZ3 LYS 30 3HZ LYS 30 -4.827 4.940 3.919 203 H CYS 31 H CYS 31 -9.459 -0.861 5.095 204 HA CYS 31 HA CYS 31 -9.321 0.256 7.817 205 HB2 CYS 31 1HB CYS 31 -11.504 1.276 7.373 206 HB3 CYS 31 2HB CYS 31 -10.322 1.779 6.169 207 H GLY 32 H GLY 32 -9.521 -2.617 6.642 208 HA2 GLY 32 1HA GLY 32 -10.755 -4.546 7.026 209 HA3 GLY 32 2HA GLY 32 -10.627 -3.971 8.681 210 H SER 33 H SER 33 -12.509 -2.802 5.896 211 HA SER 33 HA SER 33 -14.945 -3.211 7.502 212 HB2 SER 33 1HB SER 33 -14.123 -0.855 5.818 213 HB3 SER 33 2HB SER 33 -15.821 -1.177 6.166 214 HG SER 33 HG SER 33 -15.155 0.131 7.785 215 H GLY 34 H GLY 34 -16.363 -4.542 6.597 216 HA2 GLY 34 1HA GLY 34 -16.149 -6.033 4.391 217 HA3 GLY 34 2HA GLY 34 -17.715 -5.445 4.932 218 H ILE 35 H ILE 35 -16.312 -5.907 2.224 219 HA ILE 35 HA ILE 35 -16.777 -3.234 1.087 220 HB ILE 35 HB ILE 35 -15.359 -5.574 -0.190 221 HG12 ILE 35 1HG1 ILE 35 -14.042 -3.061 0.806 222 HG13 ILE 35 2HG1 ILE 35 -14.291 -4.434 1.878 223 HG21 ILE 35 1HG2 ILE 35 -15.424 -4.414 -2.080 224 HG22 ILE 35 2HG2 ILE 35 -16.436 -3.209 -1.284 225 HG23 ILE 35 3HG2 ILE 35 -14.682 -3.026 -1.284 226 HD11 ILE 35 1HD1 ILE 35 -12.312 -4.026 -0.200 227 HD12 ILE 35 2HD1 ILE 35 -12.320 -5.154 1.156 228 HD13 ILE 35 3HD1 ILE 35 -13.145 -5.573 -0.346 229 H VAL 36 H VAL 36 -18.433 -2.886 -0.259 230 HA VAL 36 HA VAL 36 -19.656 -5.045 -1.744 231 HB VAL 36 HB VAL 36 -20.930 -5.400 0.200 232 HG11 VAL 36 1HG1 VAL 36 -20.827 -2.432 0.469 233 HG12 VAL 36 2HG1 VAL 36 -22.167 -3.316 1.202 234 HG13 VAL 36 3HG1 VAL 36 -20.506 -3.685 1.668 235 HG21 VAL 36 1HG2 VAL 36 -22.169 -4.932 -2.019 236 HG22 VAL 36 2HG2 VAL 36 -23.106 -5.023 -0.527 237 HG23 VAL 36 3HG2 VAL 36 -22.707 -3.453 -1.223 238 H GLY 37 H GLY 37 -19.762 -4.173 -3.707 239 HA2 GLY 37 1HA GLY 37 -21.201 -2.647 -5.047 240 HA3 GLY 37 2HA GLY 37 -20.709 -1.381 -3.931 241 H ALA 38 H ALA 38 -18.011 -1.803 -3.721 242 HA ALA 38 HA ALA 38 -16.860 -1.971 -6.372 243 HB1 ALA 38 1HB ALA 38 -15.911 0.499 -5.313 244 HB2 ALA 38 2HB ALA 38 -16.751 0.194 -6.834 245 HB3 ALA 38 3HB ALA 38 -17.673 0.541 -5.371 246 H VAL 39 H VAL 39 -14.919 -2.886 -6.224 247 HA VAL 39 HA VAL 39 -13.284 -2.425 -3.835 248 HB VAL 39 HB VAL 39 -14.685 -4.667 -3.856 249 HG11 VAL 39 1HG1 VAL 39 -13.563 -5.144 -6.170 250 HG12 VAL 39 2HG1 VAL 39 -12.223 -5.715 -5.175 251 HG13 VAL 39 3HG1 VAL 39 -13.817 -6.453 -5.016 252 HG21 VAL 39 1HG2 VAL 39 -12.411 -5.718 -2.868 253 HG22 VAL 39 2HG2 VAL 39 -11.973 -4.010 -2.900 254 HG23 VAL 39 3HG2 VAL 39 -13.397 -4.539 -2.004 255 H VAL 40 H VAL 40 -11.028 -2.939 -4.125 256 HA VAL 40 HA VAL 40 -10.198 -3.117 -6.945 257 HB VAL 40 HB VAL 40 -8.996 -1.312 -4.841 258 HG11 VAL 40 1HG1 VAL 40 -7.340 -0.697 -6.365 259 HG12 VAL 40 2HG1 VAL 40 -7.436 -2.451 -6.537 260 HG13 VAL 40 3HG1 VAL 40 -8.203 -1.403 -7.731 261 HG21 VAL 40 1HG2 VAL 40 -9.653 0.421 -6.646 262 HG22 VAL 40 2HG2 VAL 40 -10.756 -0.832 -7.216 263 HG23 VAL 40 3HG2 VAL 40 -10.903 -0.208 -5.573 264 H LYS 41 H LYS 41 -9.417 -5.152 -7.005 265 HA LYS 41 HA LYS 41 -7.498 -5.960 -4.926 266 HB2 LYS 41 1HB LYS 41 -9.001 -7.678 -4.887 267 HB3 LYS 41 2HB LYS 41 -9.491 -7.430 -6.558 268 HG2 LYS 41 1HG LYS 41 -7.113 -8.342 -7.101 269 HG3 LYS 41 2HG LYS 41 -7.205 -9.004 -5.467 270 HD2 LYS 41 1HD LYS 41 -9.570 -9.825 -6.309 271 HD3 LYS 41 2HD LYS 41 -8.799 -9.681 -7.890 272 HE2 LYS 41 1HE LYS 41 -6.866 -11.001 -6.630 273 HE3 LYS 41 2HE LYS 41 -8.227 -11.544 -5.650 274 HZ1 LYS 41 1HZ LYS 41 -7.435 -12.556 -8.082 275 HZ2 LYS 41 2HZ LYS 41 -8.843 -11.682 -8.420 276 HZ3 LYS 41 3HZ LYS 41 -8.869 -12.909 -7.257 277 H ALA 42 H ALA 42 -5.424 -5.923 -5.457 278 HA ALA 42 HA ALA 42 -4.591 -5.543 -8.184 279 HB1 ALA 42 1HB ALA 42 -3.151 -5.689 -5.559 280 HB2 ALA 42 2HB ALA 42 -2.271 -5.668 -7.088 281 HB3 ALA 42 3HB ALA 42 -3.324 -4.320 -6.658 282 H ARG 43 H ARG 43 -3.084 -7.766 -5.876 283 HA ARG 43 HA ARG 43 -2.880 -9.751 -8.018 284 HB2 ARG 43 1HB ARG 43 -1.365 -9.227 -5.493 285 HB3 ARG 43 2HB ARG 43 -1.358 -10.849 -6.172 286 HG2 ARG 43 1HG ARG 43 -0.212 -10.195 -8.069 287 HG3 ARG 43 2HG ARG 43 -0.684 -8.504 -7.892 288 HD2 ARG 43 1HD ARG 43 0.880 -8.114 -6.216 289 HD3 ARG 43 2HD ARG 43 1.037 -9.828 -5.832 290 HE ARG 43 HE ARG 43 1.936 -9.049 -8.473 291 HH11 ARG 43 2HH1 ARG 43 2.788 -9.641 -5.150 292 HH12 ARG 43 1HH1 ARG 43 4.467 -9.898 -5.490 293 HH21 ARG 43 2HH2 ARG 43 4.145 -9.386 -8.934 294 HH22 ARG 43 1HH2 ARG 43 5.238 -9.753 -7.642 295 H ASP 44 H ASP 44 -2.984 -10.297 -4.526 296 HA ASP 44 HA ASP 44 -5.273 -12.103 -4.957 297 HB2 ASP 44 1HB ASP 44 -4.376 -13.394 -2.993 298 HB3 ASP 44 2HB ASP 44 -3.354 -13.436 -4.427 299 H LYS 45 H LYS 45 -4.005 -9.442 -3.212 300 HA LYS 45 HA LYS 45 -5.963 -9.625 -1.072 301 HB2 LYS 45 1HB LYS 45 -3.616 -7.887 -1.673 302 HB3 LYS 45 2HB LYS 45 -4.874 -7.241 -0.628 303 HG2 LYS 45 1HG LYS 45 -4.577 -9.515 0.631 304 HG3 LYS 45 2HG LYS 45 -3.001 -9.508 -0.165 305 HD2 LYS 45 1HD LYS 45 -4.048 -7.191 1.451 306 HD3 LYS 45 2HD LYS 45 -3.066 -8.486 2.140 307 HE2 LYS 45 1HE LYS 45 -2.214 -6.798 -0.207 308 HE3 LYS 45 2HE LYS 45 -1.795 -6.432 1.466 309 HZ1 LYS 45 1HZ LYS 45 -1.191 -9.098 0.391 310 HZ2 LYS 45 2HZ LYS 45 -0.402 -8.227 1.608 311 HZ3 LYS 45 3HZ LYS 45 -0.182 -7.802 -0.015 312 H TYR 46 H TYR 46 -7.255 -7.624 -0.559 313 HA TYR 46 HA TYR 46 -8.179 -6.283 -3.009 314 HB2 TYR 46 1HB TYR 46 -9.955 -7.389 -0.824 315 HB3 TYR 46 2HB TYR 46 -10.499 -6.487 -2.234 316 HD1 TYR 46 1HD TYR 46 -8.358 -9.477 -1.525 317 HD2 TYR 46 2HD TYR 46 -11.410 -7.744 -3.931 318 HE1 TYR 46 1HE TYR 46 -8.550 -11.580 -2.786 319 HE2 TYR 46 2HE TYR 46 -11.610 -9.842 -5.198 320 HH TYR 46 HH TYR 46 -10.488 -11.820 -5.672 321 H ARG 47 H ARG 47 -8.887 -4.170 -2.779 322 HA ARG 47 HA ARG 47 -8.890 -2.964 -0.127 323 HB2 ARG 47 1HB ARG 47 -7.088 -1.982 -2.348 324 HB3 ARG 47 2HB ARG 47 -7.339 -1.179 -0.804 325 HG2 ARG 47 1HG ARG 47 -6.419 -3.996 -0.748 326 HG3 ARG 47 2HG ARG 47 -5.267 -2.761 -1.259 327 HD2 ARG 47 1HD ARG 47 -5.745 -1.509 0.817 328 HD3 ARG 47 2HD ARG 47 -6.816 -2.814 1.328 329 HE ARG 47 HE ARG 47 -4.945 -4.188 1.672 330 HH11 ARG 47 2HH1 ARG 47 -4.068 -1.013 0.545 331 HH12 ARG 47 1HH1 ARG 47 -2.404 -1.168 1.004 332 HH21 ARG 47 2HH2 ARG 47 -2.758 -4.404 2.280 333 HH22 ARG 47 1HH2 ARG 47 -1.660 -3.097 1.989 334 H HIS 48 H HIS 48 -10.171 -1.160 0.034 335 HA HIS 48 HA HIS 48 -12.276 -0.821 -1.729 336 HB2 HIS 48 1HB HIS 48 -11.133 0.793 0.496 337 HB3 HIS 48 2HB HIS 48 -12.285 1.588 -0.573 338 HD2 HIS 48 2HD HIS 48 -14.466 -0.812 -0.894 339 HE1 HIS 48 1HE HIS 48 -14.573 -0.752 3.347 340 HE2 HIS 48 2HE HIS 48 -15.711 -1.556 1.248 341 HA PRO 49 HA PRO 49 -10.926 1.694 -5.059 342 HB2 PRO 49 1HB PRO 49 -12.990 3.427 -5.383 343 HB3 PRO 49 2HB PRO 49 -13.097 1.716 -5.810 344 HG2 PRO 49 1HG PRO 49 -14.073 3.118 -3.352 345 HG3 PRO 49 2HG PRO 49 -14.879 1.874 -4.325 346 HD2 PRO 49 1HD PRO 49 -13.621 1.313 -1.994 347 HD3 PRO 49 2HD PRO 49 -13.695 0.159 -3.342 348 H GLU 50 H GLU 50 -11.445 3.074 -1.986 349 HA GLU 50 HA GLU 50 -10.078 5.548 -2.821 350 HB2 GLU 50 1HB GLU 50 -11.146 6.681 -0.944 351 HB3 GLU 50 2HB GLU 50 -12.355 5.967 -2.003 352 HG2 GLU 50 1HG GLU 50 -12.150 3.959 -0.307 353 HG3 GLU 50 2HG GLU 50 -11.589 5.238 0.769 354 H CYS 51 H CYS 51 -10.105 2.822 -0.694 355 HA CYS 51 HA CYS 51 -8.183 3.823 1.172 356 HB2 CYS 51 1HB CYS 51 -9.208 1.049 0.565 357 HB3 CYS 51 2HB CYS 51 -8.001 1.367 1.806 358 H PHE 52 H PHE 52 -8.047 2.010 -1.825 359 HA PHE 52 HA PHE 52 -5.481 0.996 -1.745 360 HB2 PHE 52 1HB PHE 52 -7.389 0.946 -3.598 361 HB3 PHE 52 2HB PHE 52 -6.405 2.228 -4.298 362 HD1 PHE 52 2HD PHE 52 -5.450 -0.889 -2.495 363 HD2 PHE 52 1HD PHE 52 -5.313 1.339 -6.120 364 HE1 PHE 52 2HE PHE 52 -3.952 -2.578 -3.473 365 HE2 PHE 52 1HE PHE 52 -3.816 -0.348 -7.104 366 HZ PHE 52 HZ PHE 52 -3.132 -2.309 -5.779 367 H VAL 53 H VAL 53 -3.832 2.174 -0.946 368 HA VAL 53 HA VAL 53 -2.841 4.367 -2.546 369 HB VAL 53 HB VAL 53 -2.641 5.959 -0.711 370 HG11 VAL 53 1HG1 VAL 53 -5.432 4.960 -1.244 371 HG12 VAL 53 2HG1 VAL 53 -5.079 6.479 -0.418 372 HG13 VAL 53 3HG1 VAL 53 -4.563 6.242 -2.088 373 HG21 VAL 53 1HG2 VAL 53 -4.085 5.463 1.359 374 HG22 VAL 53 2HG2 VAL 53 -3.972 3.776 0.858 375 HG23 VAL 53 3HG2 VAL 53 -2.508 4.683 1.238 376 H CYS 54 H CYS 54 -0.770 5.281 -1.358 377 HA CYS 54 HA CYS 54 1.006 3.074 -1.090 378 HB2 CYS 54 1HB CYS 54 1.581 5.348 -2.037 379 HB3 CYS 54 2HB CYS 54 1.585 5.952 -0.383 380 H ALA 55 H ALA 55 2.602 2.997 0.785 381 HA ALA 55 HA ALA 55 1.066 3.088 3.292 382 HB1 ALA 55 1HB ALA 55 1.675 0.906 3.170 383 HB2 ALA 55 2HB ALA 55 3.118 1.245 2.214 384 HB3 ALA 55 3HB ALA 55 3.126 1.533 3.953 385 H ASP 56 H ASP 56 3.531 4.657 1.649 386 HA ASP 56 HA ASP 56 4.797 5.580 4.138 387 HB2 ASP 56 1HB ASP 56 6.173 4.584 2.189 388 HB3 ASP 56 2HB ASP 56 5.861 6.116 1.377 389 H CYS 57 H CYS 57 3.281 6.673 1.144 390 HA CYS 57 HA CYS 57 3.050 9.364 2.325 391 HB2 CYS 57 1HB CYS 57 2.890 10.206 -0.012 392 HB3 CYS 57 2HB CYS 57 4.439 9.450 0.349 393 H ASN 58 H ASN 58 1.391 6.610 1.294 394 HA ASN 58 HA ASN 58 -0.814 6.081 1.123 395 HB2 ASN 58 1HB ASN 58 -0.716 7.622 3.273 396 HB3 ASN 58 2HB ASN 58 -1.640 8.721 2.252 397 HD21 ASN 58 1HD2 ASN 58 -3.756 8.400 2.023 398 HD22 ASN 58 2HD2 ASN 58 -4.624 7.032 2.622 399 H LEU 59 H LEU 59 0.322 7.114 -1.152 400 HA LEU 59 HA LEU 59 -1.524 9.088 -2.242 401 HB2 LEU 59 1HB LEU 59 0.793 9.412 -2.762 402 HB3 LEU 59 2HB LEU 59 0.937 7.761 -3.362 403 HG LEU 59 HG LEU 59 -0.514 8.329 -5.255 404 HD11 LEU 59 1HD1 LEU 59 -1.905 10.047 -5.007 405 HD12 LEU 59 2HD1 LEU 59 -0.521 11.092 -5.326 406 HD13 LEU 59 3HD1 LEU 59 -0.972 10.709 -3.665 407 HD21 LEU 59 1HD2 LEU 59 2.111 8.928 -4.948 408 HD22 LEU 59 2HD2 LEU 59 1.459 10.499 -5.415 409 HD23 LEU 59 3HD2 LEU 59 1.220 9.098 -6.460 410 H ASN 60 H ASN 60 -2.935 8.711 -3.927 411 HA ASN 60 HA ASN 60 -4.227 6.263 -4.060 412 HB2 ASN 60 1HB ASN 60 -4.767 8.732 -5.018 413 HB3 ASN 60 2HB ASN 60 -4.319 7.919 -6.515 414 HD21 ASN 60 1HD2 ASN 60 -6.235 7.250 -3.601 415 HD22 ASN 60 2HD2 ASN 60 -7.582 6.566 -4.440 416 H LEU 61 H LEU 61 -3.534 4.377 -4.796 417 HA LEU 61 HA LEU 61 -1.460 4.311 -6.861 418 HB2 LEU 61 1HB LEU 61 -2.532 2.057 -5.172 419 HB3 LEU 61 2HB LEU 61 -1.113 2.008 -6.217 420 HG LEU 61 HG LEU 61 -1.368 3.711 -3.739 421 HD11 LEU 61 1HD1 LEU 61 0.131 1.127 -4.146 422 HD12 LEU 61 2HD1 LEU 61 -1.355 1.313 -3.216 423 HD13 LEU 61 3HD1 LEU 61 0.123 2.116 -2.686 424 HD21 LEU 61 1HD2 LEU 61 1.238 3.573 -4.160 425 HD22 LEU 61 2HD2 LEU 61 0.239 4.801 -4.937 426 HD23 LEU 61 3HD2 LEU 61 0.714 3.355 -5.830 427 H LYS 62 H LYS 62 -4.794 3.555 -6.311 428 HA LYS 62 HA LYS 62 -5.509 1.649 -8.055 429 HB2 LYS 62 1HB LYS 62 -7.257 2.750 -6.935 430 HB3 LYS 62 2HB LYS 62 -6.774 4.328 -7.543 431 HG2 LYS 62 1HG LYS 62 -8.669 3.864 -8.774 432 HG3 LYS 62 2HG LYS 62 -7.373 3.360 -9.862 433 HD2 LYS 62 1HD LYS 62 -8.493 1.339 -7.989 434 HD3 LYS 62 2HD LYS 62 -9.474 1.818 -9.377 435 HE2 LYS 62 1HE LYS 62 -7.265 1.410 -10.709 436 HE3 LYS 62 2HE LYS 62 -6.823 0.440 -9.305 437 HZ1 LYS 62 1HZ LYS 62 -7.944 -0.781 -11.168 438 HZ2 LYS 62 2HZ LYS 62 -9.362 0.058 -10.785 439 HZ3 LYS 62 3HZ LYS 62 -8.659 -0.977 -9.647 440 H GLN 63 H GLN 63 -5.465 5.037 -9.171 441 HA GLN 63 HA GLN 63 -5.328 4.255 -11.913 442 HB2 GLN 63 1HB GLN 63 -4.959 6.728 -12.286 443 HB3 GLN 63 2HB GLN 63 -6.441 6.298 -11.444 444 HG2 GLN 63 1HG GLN 63 -5.655 7.077 -9.400 445 HG3 GLN 63 2HG GLN 63 -3.973 7.042 -9.928 446 HE21 GLN 63 1HE2 GLN 63 -7.036 8.541 -10.922 447 HE22 GLN 63 2HE2 GLN 63 -6.373 10.111 -11.202 448 H LYS 64 H LYS 64 -3.003 5.458 -9.548 449 HA LYS 64 HA LYS 64 -0.848 5.694 -11.404 450 HB2 LYS 64 1HB LYS 64 -0.826 5.498 -8.386 451 HB3 LYS 64 2HB LYS 64 0.560 5.929 -9.380 452 HG2 LYS 64 1HG LYS 64 -0.703 7.895 -10.203 453 HG3 LYS 64 2HG LYS 64 -1.999 7.485 -9.078 454 HD2 LYS 64 1HD LYS 64 -0.498 7.764 -7.197 455 HD3 LYS 64 2HD LYS 64 0.856 8.065 -8.289 456 HE2 LYS 64 1HE LYS 64 -1.601 9.773 -8.395 457 HE3 LYS 64 2HE LYS 64 -0.355 10.072 -7.185 458 HZ1 LYS 64 1HZ LYS 64 -0.137 10.245 -10.126 459 HZ2 LYS 64 2HZ LYS 64 1.238 10.087 -9.153 460 HZ3 LYS 64 3HZ LYS 64 0.221 11.427 -8.969 461 H GLY 65 H GLY 65 1.300 4.462 -10.644 462 HA2 GLY 65 1HA GLY 65 0.746 1.674 -11.197 463 HA3 GLY 65 2HA GLY 65 2.331 2.428 -11.110 464 H TYR 66 H TYR 66 0.151 0.398 -9.565 465 HA TYR 66 HA TYR 66 1.018 0.870 -6.864 466 HB2 TYR 66 1HB TYR 66 -0.471 -0.825 -6.235 467 HB3 TYR 66 2HB TYR 66 -1.240 -0.106 -7.646 468 HD1 TYR 66 2HD TYR 66 0.478 -3.062 -6.335 469 HD2 TYR 66 1HD TYR 66 -1.394 -1.327 -9.739 470 HE1 TYR 66 2HE TYR 66 0.386 -5.275 -7.404 471 HE2 TYR 66 1HE TYR 66 -1.492 -3.535 -10.818 472 HH TYR 66 HH TYR 66 -0.597 -6.459 -9.102 473 H PHE 67 H PHE 67 2.055 -0.806 -5.546 474 HA PHE 67 HA PHE 67 3.743 -2.687 -7.007 475 HB2 PHE 67 1HB PHE 67 4.716 -0.330 -5.453 476 HB3 PHE 67 2HB PHE 67 5.648 -1.822 -5.383 477 HD1 PHE 67 1HD PHE 67 4.055 0.444 -7.878 478 HD2 PHE 67 2HD PHE 67 7.288 -2.165 -6.955 479 HE1 PHE 67 1HE PHE 67 5.126 1.022 -10.016 480 HE2 PHE 67 2HE PHE 67 8.366 -1.591 -9.091 481 HZ PHE 67 HZ PHE 67 7.285 0.005 -10.625 482 H PHE 68 H PHE 68 4.989 -4.103 -5.447 483 HA PHE 68 HA PHE 68 3.577 -4.438 -2.896 484 HB2 PHE 68 1HB PHE 68 3.767 -6.378 -5.141 485 HB3 PHE 68 2HB PHE 68 3.938 -7.019 -3.510 486 HD1 PHE 68 1HD PHE 68 2.096 -6.568 -1.842 487 HD2 PHE 68 2HD PHE 68 1.665 -5.863 -6.017 488 HE1 PHE 68 1HE PHE 68 -0.352 -6.581 -1.588 489 HE2 PHE 68 2HE PHE 68 -0.783 -5.874 -5.770 490 HZ PHE 68 HZ PHE 68 -1.794 -6.232 -3.553 491 H VAL 69 H VAL 69 5.207 -3.931 -1.544 492 HA VAL 69 HA VAL 69 7.698 -5.488 -1.798 493 HB VAL 69 HB VAL 69 7.468 -2.674 -0.723 494 HG11 VAL 69 1HG1 VAL 69 9.313 -4.537 -0.041 495 HG12 VAL 69 2HG1 VAL 69 10.090 -3.792 -1.439 496 HG13 VAL 69 3HG1 VAL 69 9.614 -2.800 -0.060 497 HG21 VAL 69 1HG2 VAL 69 9.022 -3.342 -3.168 498 HG22 VAL 69 2HG2 VAL 69 7.268 -3.214 -3.303 499 HG23 VAL 69 3HG2 VAL 69 8.210 -1.842 -2.719 500 H GLU 70 H GLU 70 7.834 -6.915 -0.206 501 HA GLU 70 HA GLU 70 7.744 -7.884 1.851 502 HB2 GLU 70 1HB GLU 70 7.654 -4.997 2.737 503 HB3 GLU 70 2HB GLU 70 7.823 -6.358 3.838 504 HG2 GLU 70 1HG GLU 70 9.889 -6.998 2.556 505 HG3 GLU 70 2HG GLU 70 9.753 -5.450 1.724 506 H GLY 71 H GLY 71 5.363 -7.779 0.443 507 HA2 GLY 71 1HA GLY 71 3.128 -8.201 0.763 508 HA3 GLY 71 2HA GLY 71 3.478 -8.307 2.482 509 H GLU 72 H GLU 72 4.328 -5.392 0.851 510 HA GLU 72 HA GLU 72 1.891 -4.083 1.850 511 HB2 GLU 72 1HB GLU 72 3.703 -3.674 3.446 512 HB3 GLU 72 2HB GLU 72 4.720 -3.060 2.151 513 HG2 GLU 72 1HG GLU 72 3.964 -1.105 3.032 514 HG3 GLU 72 2HG GLU 72 2.728 -1.389 1.808 515 H LEU 73 H LEU 73 1.266 -2.177 0.744 516 HA LEU 73 HA LEU 73 2.098 -2.165 -2.041 517 HB2 LEU 73 1HB LEU 73 -0.223 -1.189 -0.498 518 HB3 LEU 73 2HB LEU 73 0.220 -0.245 -1.918 519 HG LEU 73 HG LEU 73 -0.129 -3.196 -2.192 520 HD11 LEU 73 1HD1 LEU 73 -2.491 -1.410 -2.520 521 HD12 LEU 73 2HD1 LEU 73 -2.091 -2.022 -0.916 522 HD13 LEU 73 3HD1 LEU 73 -2.421 -3.149 -2.232 523 HD21 LEU 73 1HD2 LEU 73 0.721 -1.660 -4.012 524 HD22 LEU 73 2HD2 LEU 73 -0.894 -0.952 -4.045 525 HD23 LEU 73 3HD2 LEU 73 -0.671 -2.660 -4.429 526 H TYR 74 H TYR 74 2.700 -0.239 -3.160 527 HA TYR 74 HA TYR 74 3.379 2.130 -1.664 528 HB2 TYR 74 1HB TYR 74 5.519 0.296 -2.739 529 HB3 TYR 74 2HB TYR 74 5.810 2.003 -2.420 530 HD1 TYR 74 2HD TYR 74 5.475 2.857 -0.055 531 HD2 TYR 74 1HD TYR 74 5.609 -1.288 -1.004 532 HE1 TYR 74 2HE TYR 74 5.952 2.339 2.302 533 HE2 TYR 74 1HE TYR 74 6.086 -1.818 1.350 534 HH TYR 74 HH TYR 74 7.223 0.170 3.489 535 H CYS 75 H CYS 75 4.265 3.838 -3.063 536 HA CYS 75 HA CYS 75 2.992 3.747 -5.664 537 HB2 CYS 75 1HB CYS 75 3.561 6.143 -5.774 538 HB3 CYS 75 2HB CYS 75 2.711 5.741 -4.285 539 H GLU 76 H GLU 76 4.113 4.495 -7.609 540 HA GLU 76 HA GLU 76 6.264 2.990 -8.334 541 HB2 GLU 76 1HB GLU 76 4.827 4.344 -9.868 542 HB3 GLU 76 2HB GLU 76 5.724 5.775 -9.376 543 HG2 GLU 76 1HG GLU 76 7.805 4.531 -10.165 544 HG3 GLU 76 2HG GLU 76 6.689 3.415 -10.950 545 H THR 77 H THR 77 6.329 6.214 -6.889 546 HA THR 77 HA THR 77 9.092 6.673 -7.110 547 HB THR 77 HB THR 77 7.208 7.700 -4.978 548 HG1 THR 77 1HG THR 77 6.403 8.773 -6.610 549 HG21 THR 77 1HG2 THR 77 9.949 7.896 -5.042 550 HG22 THR 77 2HG2 THR 77 8.862 9.004 -4.205 551 HG23 THR 77 3HG2 THR 77 9.435 9.388 -5.828 552 H HIS 78 H HIS 78 7.378 5.953 -4.068 553 HA HIS 78 HA HIS 78 9.635 5.215 -2.620 554 HB2 HIS 78 1HB HIS 78 6.711 4.607 -2.320 555 HB3 HIS 78 2HB HIS 78 7.884 3.870 -1.232 556 HD2 HIS 78 2HD HIS 78 9.729 6.302 -0.381 557 HE1 HIS 78 1HE HIS 78 6.145 8.446 0.364 558 HE2 HIS 78 2HE HIS 78 8.638 8.376 0.713 559 H ALA 79 H ALA 79 7.229 3.051 -4.125 560 HA ALA 79 HA ALA 79 8.309 0.614 -3.587 561 HB1 ALA 79 1HB ALA 79 7.017 1.550 -6.142 562 HB2 ALA 79 2HB ALA 79 7.363 -0.141 -5.777 563 HB3 ALA 79 3HB ALA 79 6.241 0.768 -4.765 564 H ARG 80 H ARG 80 9.142 2.603 -6.429 565 HA ARG 80 HA ARG 80 11.033 1.015 -7.603 566 HB2 ARG 80 1HB ARG 80 10.623 3.952 -7.432 567 HB3 ARG 80 2HB ARG 80 12.185 3.400 -8.024 568 HG2 ARG 80 1HG ARG 80 10.908 1.974 -9.675 569 HG3 ARG 80 2HG ARG 80 9.470 2.874 -9.191 570 HD2 ARG 80 1HD ARG 80 10.188 4.075 -11.026 571 HD3 ARG 80 2HD ARG 80 10.932 4.962 -9.697 572 HE ARG 80 HE ARG 80 12.979 4.379 -10.520 573 HH11 ARG 80 2HH1 ARG 80 10.585 2.225 -11.844 574 HH12 ARG 80 1HH1 ARG 80 11.696 1.441 -12.918 575 HH21 ARG 80 2HH2 ARG 80 14.450 3.354 -11.929 576 HH22 ARG 80 1HH2 ARG 80 13.894 2.083 -12.965 577 H ALA 81 H ALA 81 11.468 3.177 -4.839 578 HA ALA 81 HA ALA 81 14.261 2.891 -4.602 579 HB1 ALA 81 1HB ALA 81 12.075 3.944 -2.941 580 HB2 ALA 81 2HB ALA 81 13.499 3.395 -2.056 581 HB3 ALA 81 3HB ALA 81 13.660 4.628 -3.306 582 H ARG 82 H ARG 82 11.563 1.067 -3.225 583 HA ARG 82 HA ARG 82 13.183 -0.593 -1.572 584 HB2 ARG 82 1HB ARG 82 10.390 -1.086 -2.622 585 HB3 ARG 82 2HB ARG 82 11.161 -1.943 -1.293 586 HG2 ARG 82 1HG ARG 82 10.941 -0.181 0.156 587 HG3 ARG 82 2HG ARG 82 10.901 1.018 -1.138 588 HD2 ARG 82 1HD ARG 82 8.667 -0.151 -1.781 589 HD3 ARG 82 2HD ARG 82 8.718 -0.756 -0.126 590 HE ARG 82 HE ARG 82 8.011 1.859 -0.945 591 HH11 ARG 82 2HH1 ARG 82 9.703 0.130 1.559 592 HH12 ARG 82 1HH1 ARG 82 9.419 1.339 2.767 593 HH21 ARG 82 2HH2 ARG 82 7.630 3.458 0.637 594 HH22 ARG 82 1HH2 ARG 82 8.239 3.231 2.242 595 H THR 83 H THR 83 11.379 -1.320 -4.565 596 HA THR 83 HA THR 83 12.838 -3.779 -4.941 597 HB THR 83 HB THR 83 10.477 -3.651 -5.591 598 HG1 THR 83 1HG THR 83 12.494 -4.251 -7.434 599 HG21 THR 83 1HG2 THR 83 10.804 -2.212 -8.071 600 HG22 THR 83 2HG2 THR 83 11.204 -1.185 -6.694 601 HG23 THR 83 3HG2 THR 83 9.626 -1.968 -6.782 602 H SER 84 H SER 84 14.065 -0.949 -5.117 603 HA SER 84 HA SER 84 14.876 -0.339 -7.684 604 HB2 SER 84 1HB SER 84 15.348 1.045 -5.671 605 HB3 SER 84 2HB SER 84 16.580 -0.121 -5.190 606 HG SER 84 HG SER 84 17.838 1.076 -6.375 607 H GLY 85 H GLY 85 15.655 -1.734 -9.130 608 HA2 GLY 85 1HA GLY 85 17.232 -3.096 -10.133 609 HA3 GLY 85 2HA GLY 85 18.175 -3.029 -8.652 610 HA PRO 86 HA PRO 86 14.940 -6.548 -7.950 611 HB2 PRO 86 1HB PRO 86 13.369 -7.216 -10.060 612 HB3 PRO 86 2HB PRO 86 12.910 -5.993 -8.870 613 HG2 PRO 86 1HG PRO 86 14.096 -5.632 -11.595 614 HG3 PRO 86 2HG PRO 86 12.781 -4.730 -10.819 615 HD2 PRO 86 1HD PRO 86 15.315 -3.786 -10.953 616 HD3 PRO 86 2HD PRO 86 14.232 -3.423 -9.594 617 H SER 87 H SER 87 16.134 -8.338 -7.907 618 HA SER 87 HA SER 87 18.083 -9.106 -9.668 619 HB2 SER 87 1HB SER 87 17.533 -10.069 -7.355 620 HB3 SER 87 2HB SER 87 16.411 -11.140 -8.196 621 HG SER 87 HG SER 87 18.078 -12.104 -9.221 622 H SER 88 H SER 88 14.670 -10.051 -9.708 623 HA SER 88 HA SER 88 14.489 -11.981 -11.551 624 HB2 SER 88 1HB SER 88 12.820 -9.563 -11.056 625 HB3 SER 88 2HB SER 88 12.478 -10.506 -12.506 626 HG SER 88 HG SER 88 12.340 -12.360 -11.093 627 H GLY 89 H GLY 89 14.821 -8.536 -12.411 628 HA2 GLY 89 1HA GLY 89 14.813 -8.624 -15.124 629 HA3 GLY 89 2HA GLY 89 15.891 -7.574 -14.217 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -43.234 -10.904 -21.467 2 HA2 GLY 1 1HA GLY 1 -43.297 -13.049 -19.604 3 HA3 GLY 1 2HA GLY 1 -42.998 -13.656 -21.226 4 H SER 2 H SER 2 -41.157 -13.964 -19.168 5 HA SER 2 HA SER 2 -38.945 -12.325 -20.189 6 HB2 SER 2 1HB SER 2 -39.627 -11.377 -18.023 7 HB3 SER 2 2HB SER 2 -39.428 -12.958 -17.267 8 HG SER 2 HG SER 2 -37.490 -11.165 -18.196 9 H SER 3 H SER 3 -36.838 -13.292 -19.920 10 HA SER 3 HA SER 3 -36.687 -16.067 -19.117 11 HB2 SER 3 1HB SER 3 -36.609 -15.210 -21.983 12 HB3 SER 3 2HB SER 3 -35.571 -16.538 -21.464 13 HG SER 3 HG SER 3 -38.017 -16.902 -20.457 14 H GLY 4 H GLY 4 -34.391 -16.918 -19.522 15 HA2 GLY 4 1HA GLY 4 -32.111 -16.687 -19.300 16 HA3 GLY 4 2HA GLY 4 -32.280 -15.034 -19.872 17 H SER 5 H SER 5 -31.229 -16.811 -17.357 18 HA SER 5 HA SER 5 -31.529 -14.553 -15.512 19 HB2 SER 5 1HB SER 5 -31.997 -16.051 -13.635 20 HB3 SER 5 2HB SER 5 -33.225 -16.241 -14.886 21 HG SER 5 HG SER 5 -32.287 -18.150 -15.507 22 H SER 6 H SER 6 -29.464 -13.882 -15.471 23 HA SER 6 HA SER 6 -27.317 -15.853 -15.215 24 HB2 SER 6 1HB SER 6 -27.247 -12.878 -15.767 25 HB3 SER 6 2HB SER 6 -25.814 -13.896 -15.622 26 HG SER 6 HG SER 6 -26.552 -15.086 -17.408 27 H GLY 7 H GLY 7 -25.935 -15.946 -13.480 28 HA2 GLY 7 1HA GLY 7 -26.887 -14.585 -11.061 29 HA3 GLY 7 2HA GLY 7 -25.861 -16.011 -11.105 30 H VAL 8 H VAL 8 -24.026 -15.478 -10.110 31 HA VAL 8 HA VAL 8 -22.378 -13.391 -11.249 32 HB VAL 8 HB VAL 8 -21.936 -12.276 -9.097 33 HG11 VAL 8 1HG1 VAL 8 -24.007 -10.985 -8.990 34 HG12 VAL 8 2HG1 VAL 8 -23.547 -11.312 -10.662 35 HG13 VAL 8 3HG1 VAL 8 -24.843 -12.240 -9.905 36 HG21 VAL 8 1HG2 VAL 8 -23.725 -12.635 -7.300 37 HG22 VAL 8 2HG2 VAL 8 -24.074 -14.151 -8.132 38 HG23 VAL 8 3HG2 VAL 8 -22.470 -13.864 -7.459 39 H ARG 9 H ARG 9 -20.170 -13.473 -10.500 40 HA ARG 9 HA ARG 9 -19.483 -16.063 -9.272 41 HB2 ARG 9 1HB ARG 9 -17.929 -14.510 -11.351 42 HB3 ARG 9 2HB ARG 9 -17.418 -16.022 -10.613 43 HG2 ARG 9 1HG ARG 9 -20.027 -15.863 -12.059 44 HG3 ARG 9 2HG ARG 9 -18.517 -16.050 -12.952 45 HD2 ARG 9 1HD ARG 9 -18.127 -18.151 -12.123 46 HD3 ARG 9 2HD ARG 9 -19.029 -17.850 -10.639 47 HE ARG 9 HE ARG 9 -20.592 -17.967 -13.081 48 HH11 ARG 9 2HH1 ARG 9 -19.395 -19.644 -10.275 49 HH12 ARG 9 1HH1 ARG 9 -20.599 -20.888 -10.343 50 HH21 ARG 9 2HH2 ARG 9 -22.183 -19.598 -13.182 51 HH22 ARG 9 1HH2 ARG 9 -22.184 -20.861 -11.998 52 H ALA 10 H ALA 10 -18.359 -15.987 -7.441 53 HA ALA 10 HA ALA 10 -17.016 -13.459 -6.735 54 HB1 ALA 10 1HB ALA 10 -17.400 -14.727 -4.345 55 HB2 ALA 10 2HB ALA 10 -18.444 -13.472 -5.013 56 HB3 ALA 10 3HB ALA 10 -18.852 -15.172 -5.241 57 HA PRO 11 HA PRO 11 -13.220 -15.685 -6.553 58 HB2 PRO 11 1HB PRO 11 -11.837 -14.036 -4.898 59 HB3 PRO 11 2HB PRO 11 -12.190 -13.631 -6.582 60 HG2 PRO 11 1HG PRO 11 -13.591 -12.748 -4.088 61 HG3 PRO 11 2HG PRO 11 -13.142 -11.797 -5.516 62 HD2 PRO 11 1HD PRO 11 -15.655 -12.720 -5.111 63 HD3 PRO 11 2HD PRO 11 -14.956 -12.535 -6.732 64 H VAL 12 H VAL 12 -12.419 -17.321 -5.365 65 HA VAL 12 HA VAL 12 -13.671 -18.122 -2.965 66 HB VAL 12 HB VAL 12 -11.996 -19.896 -2.861 67 HG11 VAL 12 1HG1 VAL 12 -12.558 -21.012 -4.881 68 HG12 VAL 12 2HG1 VAL 12 -13.929 -19.979 -4.471 69 HG13 VAL 12 3HG1 VAL 12 -12.799 -19.487 -5.733 70 HG21 VAL 12 1HG2 VAL 12 -10.386 -19.834 -4.974 71 HG22 VAL 12 2HG2 VAL 12 -10.556 -18.096 -4.731 72 HG23 VAL 12 3HG2 VAL 12 -9.934 -19.111 -3.430 73 H THR 13 H THR 13 -13.171 -17.815 -0.874 74 HA THR 13 HA THR 13 -10.553 -16.840 -0.091 75 HB THR 13 HB THR 13 -11.715 -14.753 -0.620 76 HG1 THR 13 1HG THR 13 -10.612 -14.074 1.046 77 HG21 THR 13 1HG2 THR 13 -13.633 -14.206 1.100 78 HG22 THR 13 2HG2 THR 13 -13.831 -15.958 1.104 79 HG23 THR 13 3HG2 THR 13 -13.985 -15.056 -0.403 80 H LYS 14 H LYS 14 -10.087 -17.161 2.087 81 HA LYS 14 HA LYS 14 -11.287 -19.315 3.360 82 HB2 LYS 14 1HB LYS 14 -9.597 -17.076 4.477 83 HB3 LYS 14 2HB LYS 14 -10.072 -18.484 5.417 84 HG2 LYS 14 1HG LYS 14 -8.934 -19.926 3.769 85 HG3 LYS 14 2HG LYS 14 -8.395 -18.478 2.916 86 HD2 LYS 14 1HD LYS 14 -7.498 -17.831 5.317 87 HD3 LYS 14 2HD LYS 14 -7.522 -19.582 5.538 88 HE2 LYS 14 1HE LYS 14 -6.191 -19.778 3.427 89 HE3 LYS 14 2HE LYS 14 -6.043 -18.021 3.426 90 HZ1 LYS 14 1HZ LYS 14 -4.263 -18.300 4.696 91 HZ2 LYS 14 2HZ LYS 14 -4.576 -19.947 4.918 92 HZ3 LYS 14 3HZ LYS 14 -5.286 -18.806 5.945 93 H VAL 15 H VAL 15 -12.830 -19.557 4.920 94 HA VAL 15 HA VAL 15 -14.300 -17.133 5.728 95 HB VAL 15 HB VAL 15 -15.492 -19.823 5.038 96 HG11 VAL 15 1HG1 VAL 15 -16.466 -18.229 6.932 97 HG12 VAL 15 2HG1 VAL 15 -17.172 -17.430 5.526 98 HG13 VAL 15 3HG1 VAL 15 -17.507 -19.134 5.834 99 HG21 VAL 15 1HG2 VAL 15 -16.056 -17.218 3.663 100 HG22 VAL 15 2HG2 VAL 15 -14.710 -18.243 3.167 101 HG23 VAL 15 3HG2 VAL 15 -16.360 -18.860 3.096 102 H HIS 16 H HIS 16 -14.664 -16.903 7.848 103 HA HIS 16 HA HIS 16 -14.299 -19.246 9.592 104 HB2 HIS 16 1HB HIS 16 -12.315 -17.691 9.602 105 HB3 HIS 16 2HB HIS 16 -13.372 -16.451 10.271 106 HD1 HIS 16 1HD HIS 16 -12.019 -19.882 11.140 107 HD2 HIS 16 2HD HIS 16 -13.659 -16.539 12.983 108 HE1 HIS 16 1HE HIS 16 -11.793 -20.297 13.610 109 HE2 HIS 16 2HE HIS 16 -12.869 -18.300 14.705 110 H GLY 17 H GLY 17 -15.757 -19.492 11.211 111 HA2 GLY 17 1HA GLY 17 -17.179 -17.934 12.761 112 HA3 GLY 17 2HA GLY 17 -17.988 -17.590 11.240 113 H GLY 18 H GLY 18 -19.735 -18.763 10.821 114 HA2 GLY 18 1HA GLY 18 -20.562 -21.085 10.496 115 HA3 GLY 18 2HA GLY 18 -19.949 -21.416 12.109 116 H ALA 19 H ALA 19 -22.460 -19.859 10.249 117 HA ALA 19 HA ALA 19 -24.295 -20.118 12.455 118 HB1 ALA 19 1HB ALA 19 -24.148 -18.054 13.253 119 HB2 ALA 19 2HB ALA 19 -22.981 -17.612 12.007 120 HB3 ALA 19 3HB ALA 19 -24.708 -17.446 11.696 121 H GLY 20 H GLY 20 -26.498 -19.060 11.758 122 HA2 GLY 20 1HA GLY 20 -27.528 -20.422 9.622 123 HA3 GLY 20 2HA GLY 20 -28.216 -18.924 10.231 124 H SER 21 H SER 21 -27.226 -16.894 9.391 125 HA SER 21 HA SER 21 -27.072 -17.048 6.526 126 HB2 SER 21 1HB SER 21 -26.686 -14.626 8.298 127 HB3 SER 21 2HB SER 21 -27.065 -14.628 6.576 128 HG SER 21 HG SER 21 -28.975 -15.986 7.454 129 H ALA 22 H ALA 22 -25.360 -16.002 5.270 130 HA ALA 22 HA ALA 22 -22.764 -15.730 6.538 131 HB1 ALA 22 1HB ALA 22 -23.054 -18.175 6.023 132 HB2 ALA 22 2HB ALA 22 -23.078 -17.735 4.315 133 HB3 ALA 22 3HB ALA 22 -21.645 -17.409 5.290 134 H GLN 23 H GLN 23 -21.499 -14.285 5.504 135 HA GLN 23 HA GLN 23 -22.431 -13.320 2.881 136 HB2 GLN 23 1HB GLN 23 -21.139 -11.820 5.160 137 HB3 GLN 23 2HB GLN 23 -21.350 -11.142 3.551 138 HG2 GLN 23 1HG GLN 23 -23.639 -11.003 3.760 139 HG3 GLN 23 2HG GLN 23 -23.704 -12.242 5.012 140 HE21 GLN 23 1HE2 GLN 23 -24.948 -9.693 5.113 141 HE22 GLN 23 2HE2 GLN 23 -24.256 -8.826 6.437 142 H ARG 24 H ARG 24 -21.089 -13.628 1.240 143 HA ARG 24 HA ARG 24 -18.272 -14.224 1.821 144 HB2 ARG 24 1HB ARG 24 -19.375 -15.996 0.625 145 HB3 ARG 24 2HB ARG 24 -20.003 -14.867 -0.568 146 HG2 ARG 24 1HG ARG 24 -17.767 -14.444 -1.393 147 HG3 ARG 24 2HG ARG 24 -17.089 -15.497 -0.149 148 HD2 ARG 24 1HD ARG 24 -19.128 -16.492 -2.113 149 HD3 ARG 24 2HD ARG 24 -17.409 -16.459 -2.506 150 HE ARG 24 HE ARG 24 -18.243 -17.832 -0.064 151 HH11 ARG 24 2HH1 ARG 24 -17.078 -17.991 -3.341 152 HH12 ARG 24 1HH1 ARG 24 -16.565 -19.641 -3.217 153 HH21 ARG 24 2HH2 ARG 24 -17.571 -20.004 0.112 154 HH22 ARG 24 1HH2 ARG 24 -16.847 -20.785 -1.253 155 H MET 25 H MET 25 -17.048 -12.452 1.702 156 HA MET 25 HA MET 25 -16.761 -11.058 -0.763 157 HB2 MET 25 1HB MET 25 -17.544 -8.905 -0.192 158 HB3 MET 25 2HB MET 25 -18.835 -10.006 0.271 159 HG2 MET 25 1HG MET 25 -16.789 -8.851 2.151 160 HG3 MET 25 2HG MET 25 -18.429 -8.246 1.934 161 HE1 MET 25 1HE MET 25 -17.043 -9.108 4.683 162 HE2 MET 25 2HE MET 25 -17.409 -10.736 5.253 163 HE3 MET 25 3HE MET 25 -16.191 -10.493 4.001 164 HA PRO 26 HA PRO 26 -12.763 -10.383 0.923 165 HB2 PRO 26 1HB PRO 26 -11.980 -8.197 -0.483 166 HB3 PRO 26 2HB PRO 26 -12.103 -9.808 -1.201 167 HG2 PRO 26 1HG PRO 26 -14.037 -7.527 -1.325 168 HG3 PRO 26 2HG PRO 26 -13.517 -8.625 -2.617 169 HD2 PRO 26 1HD PRO 26 -15.871 -8.921 -1.313 170 HD3 PRO 26 2HD PRO 26 -14.947 -10.301 -1.940 171 H LEU 27 H LEU 27 -11.757 -9.268 2.539 172 HA LEU 27 HA LEU 27 -13.223 -6.977 3.651 173 HB2 LEU 27 1HB LEU 27 -12.565 -9.253 4.891 174 HB3 LEU 27 2HB LEU 27 -11.100 -8.327 5.212 175 HG LEU 27 HG LEU 27 -12.679 -8.192 7.069 176 HD11 LEU 27 1HD1 LEU 27 -12.094 -6.078 7.497 177 HD12 LEU 27 2HD1 LEU 27 -12.928 -5.457 6.073 178 HD13 LEU 27 3HD1 LEU 27 -11.304 -6.128 5.921 179 HD21 LEU 27 1HD2 LEU 27 -14.612 -8.089 5.090 180 HD22 LEU 27 2HD2 LEU 27 -14.612 -6.462 5.772 181 HD23 LEU 27 3HD2 LEU 27 -14.867 -7.858 6.820 182 H CYS 28 H CYS 28 -12.374 -5.032 3.379 183 HA CYS 28 HA CYS 28 -9.985 -4.459 2.121 184 HB2 CYS 28 1HB CYS 28 -11.919 -2.883 2.562 185 HB3 CYS 28 2HB CYS 28 -11.271 -2.667 4.184 186 H ASP 29 H ASP 29 -8.011 -5.033 2.737 187 HA ASP 29 HA ASP 29 -7.296 -5.569 5.437 188 HB2 ASP 29 1HB ASP 29 -6.277 -6.400 3.122 189 HB3 ASP 29 2HB ASP 29 -5.191 -5.040 3.394 190 H LYS 30 H LYS 30 -7.880 -2.702 4.007 191 HA LYS 30 HA LYS 30 -5.701 -1.243 5.301 192 HB2 LYS 30 1HB LYS 30 -6.296 -0.642 2.987 193 HB3 LYS 30 2HB LYS 30 -7.927 -0.246 3.513 194 HG2 LYS 30 1HG LYS 30 -7.118 1.841 3.616 195 HG3 LYS 30 2HG LYS 30 -6.484 1.314 5.178 196 HD2 LYS 30 1HD LYS 30 -4.434 0.528 3.788 197 HD3 LYS 30 2HD LYS 30 -5.060 1.635 2.564 198 HE2 LYS 30 1HE LYS 30 -3.453 2.817 3.882 199 HE3 LYS 30 2HE LYS 30 -5.053 3.434 4.289 200 HZ1 LYS 30 1HZ LYS 30 -4.849 1.577 6.129 201 HZ2 LYS 30 2HZ LYS 30 -4.229 3.133 6.363 202 HZ3 LYS 30 3HZ LYS 30 -3.197 1.871 5.913 203 H CYS 31 H CYS 31 -9.260 -1.042 5.129 204 HA CYS 31 HA CYS 31 -9.232 0.177 7.808 205 HB2 CYS 31 1HB CYS 31 -11.393 1.140 7.272 206 HB3 CYS 31 2HB CYS 31 -10.244 1.542 6.000 207 H GLY 32 H GLY 32 -9.369 -2.761 6.686 208 HA2 GLY 32 1HA GLY 32 -10.528 -4.708 7.164 209 HA3 GLY 32 2HA GLY 32 -10.445 -4.059 8.795 210 H SER 33 H SER 33 -12.310 -3.022 5.950 211 HA SER 33 HA SER 33 -14.768 -3.530 7.490 212 HB2 SER 33 1HB SER 33 -13.921 -1.039 7.137 213 HB3 SER 33 2HB SER 33 -14.686 -1.250 5.562 214 HG SER 33 HG SER 33 -16.207 -0.450 6.991 215 H GLY 34 H GLY 34 -16.261 -4.703 6.464 216 HA2 GLY 34 1HA GLY 34 -15.935 -6.183 4.249 217 HA3 GLY 34 2HA GLY 34 -17.514 -5.566 4.711 218 H ILE 35 H ILE 35 -16.205 -6.062 2.054 219 HA ILE 35 HA ILE 35 -16.450 -3.340 0.953 220 HB ILE 35 HB ILE 35 -15.015 -5.713 -0.243 221 HG12 ILE 35 1HG1 ILE 35 -13.717 -3.159 0.653 222 HG13 ILE 35 2HG1 ILE 35 -14.039 -4.440 1.816 223 HG21 ILE 35 1HG2 ILE 35 -16.135 -3.579 -1.561 224 HG22 ILE 35 2HG2 ILE 35 -14.461 -3.072 -1.337 225 HG23 ILE 35 3HG2 ILE 35 -14.820 -4.588 -2.163 226 HD11 ILE 35 1HD1 ILE 35 -12.439 -4.803 -0.704 227 HD12 ILE 35 2HD1 ILE 35 -11.749 -4.476 0.887 228 HD13 ILE 35 3HD1 ILE 35 -12.649 -5.966 0.605 229 H VAL 36 H VAL 36 -18.288 -2.962 -0.076 230 HA VAL 36 HA VAL 36 -19.427 -5.026 -1.802 231 HB VAL 36 HB VAL 36 -21.018 -3.608 0.339 232 HG11 VAL 36 1HG1 VAL 36 -21.938 -5.476 -1.844 233 HG12 VAL 36 2HG1 VAL 36 -22.940 -4.871 -0.523 234 HG13 VAL 36 3HG1 VAL 36 -22.294 -3.753 -1.724 235 HG21 VAL 36 1HG2 VAL 36 -20.902 -6.566 0.031 236 HG22 VAL 36 2HG2 VAL 36 -19.535 -5.742 0.781 237 HG23 VAL 36 3HG2 VAL 36 -21.147 -5.590 1.480 238 H GLY 37 H GLY 37 -19.680 -4.129 -3.733 239 HA2 GLY 37 1HA GLY 37 -21.056 -2.493 -4.985 240 HA3 GLY 37 2HA GLY 37 -20.473 -1.283 -3.852 241 H ALA 38 H ALA 38 -17.872 -1.481 -3.731 242 HA ALA 38 HA ALA 38 -16.759 -1.772 -6.411 243 HB1 ALA 38 1HB ALA 38 -15.809 0.706 -5.304 244 HB2 ALA 38 2HB ALA 38 -16.557 0.390 -6.871 245 HB3 ALA 38 3HB ALA 38 -17.565 0.732 -5.465 246 H VAL 39 H VAL 39 -14.775 -2.619 -6.344 247 HA VAL 39 HA VAL 39 -13.111 -2.218 -3.968 248 HB VAL 39 HB VAL 39 -14.498 -4.471 -4.023 249 HG11 VAL 39 1HG1 VAL 39 -13.607 -6.230 -5.219 250 HG12 VAL 39 2HG1 VAL 39 -13.413 -4.895 -6.357 251 HG13 VAL 39 3HG1 VAL 39 -12.037 -5.449 -5.403 252 HG21 VAL 39 1HG2 VAL 39 -11.560 -4.394 -3.341 253 HG22 VAL 39 2HG2 VAL 39 -12.862 -3.792 -2.314 254 HG23 VAL 39 3HG2 VAL 39 -12.757 -5.513 -2.688 255 H VAL 40 H VAL 40 -10.852 -2.834 -4.313 256 HA VAL 40 HA VAL 40 -10.072 -2.908 -7.148 257 HB VAL 40 HB VAL 40 -8.933 -1.086 -5.029 258 HG11 VAL 40 1HG1 VAL 40 -7.399 -0.330 -6.867 259 HG12 VAL 40 2HG1 VAL 40 -7.068 -1.944 -6.236 260 HG13 VAL 40 3HG1 VAL 40 -7.902 -1.753 -7.779 261 HG21 VAL 40 1HG2 VAL 40 -10.027 0.601 -6.024 262 HG22 VAL 40 2HG2 VAL 40 -9.699 -0.013 -7.645 263 HG23 VAL 40 3HG2 VAL 40 -11.041 -0.670 -6.708 264 H LYS 41 H LYS 41 -9.284 -4.938 -7.251 265 HA LYS 41 HA LYS 41 -7.361 -5.794 -5.199 266 HB2 LYS 41 1HB LYS 41 -8.859 -7.522 -5.273 267 HB3 LYS 41 2HB LYS 41 -9.287 -7.223 -6.952 268 HG2 LYS 41 1HG LYS 41 -6.940 -8.107 -7.498 269 HG3 LYS 41 2HG LYS 41 -6.954 -8.740 -5.850 270 HD2 LYS 41 1HD LYS 41 -9.342 -9.626 -6.661 271 HD3 LYS 41 2HD LYS 41 -8.523 -9.569 -8.224 272 HE2 LYS 41 1HE LYS 41 -6.613 -10.781 -6.836 273 HE3 LYS 41 2HE LYS 41 -7.988 -11.273 -5.849 274 HZ1 LYS 41 1HZ LYS 41 -8.809 -11.713 -8.413 275 HZ2 LYS 41 2HZ LYS 41 -8.265 -12.890 -7.327 276 HZ3 LYS 41 3HZ LYS 41 -7.188 -12.197 -8.432 277 H ALA 42 H ALA 42 -5.281 -5.680 -5.691 278 HA ALA 42 HA ALA 42 -4.396 -5.147 -8.368 279 HB1 ALA 42 1HB ALA 42 -3.134 -4.029 -6.780 280 HB2 ALA 42 2HB ALA 42 -3.032 -5.436 -5.721 281 HB3 ALA 42 3HB ALA 42 -2.093 -5.385 -7.213 282 H ARG 43 H ARG 43 -2.934 -7.525 -6.187 283 HA ARG 43 HA ARG 43 -2.695 -9.361 -8.456 284 HB2 ARG 43 1HB ARG 43 -0.774 -8.580 -6.797 285 HB3 ARG 43 2HB ARG 43 -1.399 -9.909 -5.829 286 HG2 ARG 43 1HG ARG 43 -0.954 -11.479 -7.581 287 HG3 ARG 43 2HG ARG 43 -0.512 -10.180 -8.691 288 HD2 ARG 43 1HD ARG 43 1.407 -9.622 -7.327 289 HD3 ARG 43 2HD ARG 43 0.937 -10.825 -6.127 290 HE ARG 43 HE ARG 43 1.204 -12.362 -8.265 291 HH11 ARG 43 2HH1 ARG 43 3.242 -9.791 -7.100 292 HH12 ARG 43 1HH1 ARG 43 4.697 -10.477 -7.744 293 HH21 ARG 43 2HH2 ARG 43 3.112 -13.274 -9.118 294 HH22 ARG 43 1HH2 ARG 43 4.622 -12.457 -8.893 295 H ASP 44 H ASP 44 -2.919 -10.040 -4.981 296 HA ASP 44 HA ASP 44 -5.164 -11.858 -5.567 297 HB2 ASP 44 1HB ASP 44 -2.860 -12.229 -3.646 298 HB3 ASP 44 2HB ASP 44 -4.300 -13.244 -3.646 299 H LYS 45 H LYS 45 -3.902 -9.332 -3.601 300 HA LYS 45 HA LYS 45 -5.907 -9.626 -1.528 301 HB2 LYS 45 1HB LYS 45 -3.583 -7.814 -2.011 302 HB3 LYS 45 2HB LYS 45 -4.856 -7.270 -0.926 303 HG2 LYS 45 1HG LYS 45 -4.511 -9.605 0.187 304 HG3 LYS 45 2HG LYS 45 -2.942 -9.533 -0.619 305 HD2 LYS 45 1HD LYS 45 -4.045 -7.437 1.253 306 HD3 LYS 45 2HD LYS 45 -2.851 -8.665 1.683 307 HE2 LYS 45 1HE LYS 45 -1.492 -6.872 1.216 308 HE3 LYS 45 2HE LYS 45 -1.541 -7.675 -0.353 309 HZ1 LYS 45 1HZ LYS 45 -2.359 -5.065 0.312 310 HZ2 LYS 45 2HZ LYS 45 -3.699 -5.926 -0.256 311 HZ3 LYS 45 3HZ LYS 45 -2.309 -5.801 -1.211 312 H TYR 46 H TYR 46 -7.125 -7.547 -0.910 313 HA TYR 46 HA TYR 46 -8.081 -6.150 -3.312 314 HB2 TYR 46 1HB TYR 46 -9.842 -7.346 -1.163 315 HB3 TYR 46 2HB TYR 46 -10.401 -6.361 -2.510 316 HD1 TYR 46 1HD TYR 46 -8.288 -9.408 -1.992 317 HD2 TYR 46 2HD TYR 46 -11.330 -7.504 -4.277 318 HE1 TYR 46 1HE TYR 46 -8.513 -11.434 -3.370 319 HE2 TYR 46 2HE TYR 46 -11.564 -9.524 -5.660 320 HH TYR 46 HH TYR 46 -10.464 -11.486 -6.254 321 H ARG 47 H ARG 47 -8.829 -4.051 -2.993 322 HA ARG 47 HA ARG 47 -8.793 -2.937 -0.304 323 HB2 ARG 47 1HB ARG 47 -6.978 -1.938 -2.507 324 HB3 ARG 47 2HB ARG 47 -7.266 -1.099 -0.988 325 HG2 ARG 47 1HG ARG 47 -6.297 -3.912 -0.916 326 HG3 ARG 47 2HG ARG 47 -5.163 -2.619 -1.312 327 HD2 ARG 47 1HD ARG 47 -5.573 -1.521 0.762 328 HD3 ARG 47 2HD ARG 47 -6.933 -2.583 1.123 329 HE ARG 47 HE ARG 47 -5.436 -4.275 1.708 330 HH11 ARG 47 2HH1 ARG 47 -3.779 -1.431 0.571 331 HH12 ARG 47 1HH1 ARG 47 -2.235 -1.929 1.179 332 HH21 ARG 47 2HH2 ARG 47 -3.409 -4.941 2.513 333 HH22 ARG 47 1HH2 ARG 47 -2.025 -3.926 2.282 334 H HIS 48 H HIS 48 -10.034 -1.100 -0.077 335 HA HIS 48 HA HIS 48 -12.154 -0.707 -1.838 336 HB2 HIS 48 1HB HIS 48 -11.042 0.811 0.475 337 HB3 HIS 48 2HB HIS 48 -12.228 1.616 -0.548 338 HD2 HIS 48 2HD HIS 48 -14.329 -0.839 -0.970 339 HE1 HIS 48 1HE HIS 48 -14.406 -0.984 3.269 340 HE2 HIS 48 2HE HIS 48 -15.532 -1.725 1.142 341 HA PRO 49 HA PRO 49 -10.774 2.001 -5.000 342 HB2 PRO 49 1HB PRO 49 -12.854 3.726 -5.262 343 HB3 PRO 49 2HB PRO 49 -12.933 2.040 -5.787 344 HG2 PRO 49 1HG PRO 49 -13.966 3.291 -3.271 345 HG3 PRO 49 2HG PRO 49 -14.741 2.095 -4.326 346 HD2 PRO 49 1HD PRO 49 -13.515 1.417 -2.009 347 HD3 PRO 49 2HD PRO 49 -13.553 0.340 -3.420 348 H GLU 50 H GLU 50 -11.344 3.191 -1.862 349 HA GLU 50 HA GLU 50 -10.012 5.733 -2.534 350 HB2 GLU 50 1HB GLU 50 -11.101 6.715 -0.573 351 HB3 GLU 50 2HB GLU 50 -12.286 6.089 -1.711 352 HG2 GLU 50 1HG GLU 50 -12.637 4.138 -0.342 353 HG3 GLU 50 2HG GLU 50 -11.362 4.647 0.763 354 H CYS 51 H CYS 51 -9.969 2.862 -0.627 355 HA CYS 51 HA CYS 51 -8.061 3.795 1.307 356 HB2 CYS 51 1HB CYS 51 -9.073 1.040 0.590 357 HB3 CYS 51 2HB CYS 51 -7.890 1.330 1.862 358 H PHE 52 H PHE 52 -7.950 2.053 -1.742 359 HA PHE 52 HA PHE 52 -5.364 1.076 -1.701 360 HB2 PHE 52 1HB PHE 52 -7.299 0.992 -3.523 361 HB3 PHE 52 2HB PHE 52 -6.356 2.298 -4.233 362 HD1 PHE 52 2HD PHE 52 -5.340 -0.829 -2.477 363 HD2 PHE 52 1HD PHE 52 -5.238 1.465 -6.061 364 HE1 PHE 52 2HE PHE 52 -3.822 -2.480 -3.487 365 HE2 PHE 52 1HE PHE 52 -3.720 -0.183 -7.078 366 HZ PHE 52 HZ PHE 52 -3.009 -2.159 -5.790 367 H VAL 53 H VAL 53 -3.725 2.282 -0.926 368 HA VAL 53 HA VAL 53 -2.777 4.477 -2.539 369 HB VAL 53 HB VAL 53 -2.654 6.128 -0.780 370 HG11 VAL 53 1HG1 VAL 53 -4.657 6.158 -2.137 371 HG12 VAL 53 2HG1 VAL 53 -5.434 4.993 -1.063 372 HG13 VAL 53 3HG1 VAL 53 -5.052 6.614 -0.481 373 HG21 VAL 53 1HG2 VAL 53 -3.980 4.033 0.933 374 HG22 VAL 53 2HG2 VAL 53 -2.383 4.747 1.158 375 HG23 VAL 53 3HG2 VAL 53 -3.829 5.730 1.388 376 H CYS 54 H CYS 54 -0.698 5.402 -1.496 377 HA CYS 54 HA CYS 54 1.075 3.221 -1.075 378 HB2 CYS 54 1HB CYS 54 1.679 5.372 -2.213 379 HB3 CYS 54 2HB CYS 54 1.632 6.161 -0.640 380 H ALA 55 H ALA 55 2.635 3.155 0.773 381 HA ALA 55 HA ALA 55 1.162 3.517 3.289 382 HB1 ALA 55 1HB ALA 55 3.566 1.770 2.784 383 HB2 ALA 55 2HB ALA 55 2.538 1.784 4.217 384 HB3 ALA 55 3HB ALA 55 1.893 1.222 2.675 385 H ASP 56 H ASP 56 3.400 5.105 1.524 386 HA ASP 56 HA ASP 56 4.840 6.074 3.907 387 HB2 ASP 56 1HB ASP 56 5.739 5.441 1.172 388 HB3 ASP 56 2HB ASP 56 6.349 6.963 1.816 389 H CYS 57 H CYS 57 3.277 7.008 0.880 390 HA CYS 57 HA CYS 57 3.092 9.764 1.911 391 HB2 CYS 57 1HB CYS 57 2.871 10.442 -0.501 392 HB3 CYS 57 2HB CYS 57 4.446 9.788 -0.065 393 H ASN 58 H ASN 58 1.395 6.977 0.992 394 HA ASN 58 HA ASN 58 -0.824 6.469 0.977 395 HB2 ASN 58 1HB ASN 58 -0.706 8.294 2.894 396 HB3 ASN 58 2HB ASN 58 -1.614 9.250 1.726 397 HD21 ASN 58 1HD2 ASN 58 -3.735 8.961 1.593 398 HD22 ASN 58 2HD2 ASN 58 -4.620 7.686 2.353 399 H LEU 59 H LEU 59 0.354 7.186 -1.408 400 HA LEU 59 HA LEU 59 -1.473 9.004 -2.769 401 HB2 LEU 59 1HB LEU 59 1.158 8.670 -3.062 402 HB3 LEU 59 2HB LEU 59 0.602 7.498 -4.256 403 HG LEU 59 HG LEU 59 -0.070 10.440 -4.235 404 HD11 LEU 59 1HD1 LEU 59 2.184 10.292 -4.849 405 HD12 LEU 59 2HD1 LEU 59 1.309 10.340 -6.379 406 HD13 LEU 59 3HD1 LEU 59 1.929 8.807 -5.766 407 HD21 LEU 59 1HD2 LEU 59 -0.806 8.190 -6.091 408 HD22 LEU 59 2HD2 LEU 59 -0.889 9.888 -6.560 409 HD23 LEU 59 3HD2 LEU 59 -1.881 9.291 -5.229 410 H ASN 60 H ASN 60 -3.085 8.382 -4.078 411 HA ASN 60 HA ASN 60 -4.169 5.842 -4.013 412 HB2 ASN 60 1HB ASN 60 -5.007 8.217 -4.986 413 HB3 ASN 60 2HB ASN 60 -4.645 7.387 -6.497 414 HD21 ASN 60 1HD2 ASN 60 -6.201 6.685 -3.383 415 HD22 ASN 60 2HD2 ASN 60 -7.562 5.861 -4.057 416 H LEU 61 H LEU 61 -3.051 4.069 -4.564 417 HA LEU 61 HA LEU 61 -1.322 4.057 -6.892 418 HB2 LEU 61 1HB LEU 61 -2.011 1.716 -5.138 419 HB3 LEU 61 2HB LEU 61 -0.598 1.920 -6.171 420 HG LEU 61 HG LEU 61 -1.118 3.598 -3.723 421 HD11 LEU 61 1HD1 LEU 61 -0.663 1.765 -2.537 422 HD12 LEU 61 2HD1 LEU 61 0.986 1.934 -3.137 423 HD13 LEU 61 3HD1 LEU 61 -0.147 0.863 -3.962 424 HD21 LEU 61 1HD2 LEU 61 1.612 3.353 -4.329 425 HD22 LEU 61 2HD2 LEU 61 0.593 4.783 -4.493 426 HD23 LEU 61 3HD2 LEU 61 0.795 3.682 -5.857 427 H LYS 62 H LYS 62 -4.419 4.138 -6.868 428 HA LYS 62 HA LYS 62 -5.326 1.744 -8.065 429 HB2 LYS 62 1HB LYS 62 -7.004 3.116 -7.168 430 HB3 LYS 62 2HB LYS 62 -6.381 4.555 -7.964 431 HG2 LYS 62 1HG LYS 62 -8.371 3.976 -9.086 432 HG3 LYS 62 2HG LYS 62 -7.045 3.500 -10.150 433 HD2 LYS 62 1HD LYS 62 -7.326 1.205 -8.848 434 HD3 LYS 62 2HD LYS 62 -8.967 1.818 -8.628 435 HE2 LYS 62 1HE LYS 62 -9.239 0.726 -10.611 436 HE3 LYS 62 2HE LYS 62 -8.739 2.304 -11.220 437 HZ1 LYS 62 1HZ LYS 62 -6.421 1.396 -11.234 438 HZ2 LYS 62 2HZ LYS 62 -7.470 0.693 -12.358 439 HZ3 LYS 62 3HZ LYS 62 -7.078 -0.134 -10.935 440 H GLN 63 H GLN 63 -4.900 4.926 -9.626 441 HA GLN 63 HA GLN 63 -4.803 3.734 -12.233 442 HB2 GLN 63 1HB GLN 63 -4.227 6.111 -12.934 443 HB3 GLN 63 2HB GLN 63 -5.783 5.880 -12.147 444 HG2 GLN 63 1HG GLN 63 -5.120 6.944 -10.217 445 HG3 GLN 63 2HG GLN 63 -3.408 6.652 -10.519 446 HE21 GLN 63 1HE2 GLN 63 -2.634 7.723 -12.626 447 HE22 GLN 63 2HE2 GLN 63 -3.118 9.367 -12.843 448 H LYS 64 H LYS 64 -2.462 5.088 -9.975 449 HA LYS 64 HA LYS 64 -0.252 4.893 -11.788 450 HB2 LYS 64 1HB LYS 64 -0.298 5.225 -8.782 451 HB3 LYS 64 2HB LYS 64 1.123 5.409 -9.802 452 HG2 LYS 64 1HG LYS 64 0.009 7.276 -10.966 453 HG3 LYS 64 2HG LYS 64 -1.356 7.117 -9.858 454 HD2 LYS 64 1HD LYS 64 0.135 7.574 -7.966 455 HD3 LYS 64 2HD LYS 64 1.493 7.744 -9.081 456 HE2 LYS 64 1HE LYS 64 -0.979 9.415 -9.379 457 HE3 LYS 64 2HE LYS 64 0.298 9.873 -8.253 458 HZ1 LYS 64 1HZ LYS 64 1.427 9.218 -10.752 459 HZ2 LYS 64 2HZ LYS 64 1.472 10.691 -9.923 460 HZ3 LYS 64 3HZ LYS 64 0.197 10.356 -10.982 461 H GLY 65 H GLY 65 1.473 3.417 -11.726 462 HA2 GLY 65 1HA GLY 65 0.799 0.730 -11.409 463 HA3 GLY 65 2HA GLY 65 2.440 1.345 -11.532 464 H TYR 66 H TYR 66 0.222 -0.208 -9.557 465 HA TYR 66 HA TYR 66 1.147 0.654 -7.006 466 HB2 TYR 66 1HB TYR 66 -0.179 -1.113 -6.102 467 HB3 TYR 66 2HB TYR 66 -1.067 -0.465 -7.477 468 HD1 TYR 66 2HD TYR 66 0.866 -3.326 -6.223 469 HD2 TYR 66 1HD TYR 66 -1.434 -1.791 -9.457 470 HE1 TYR 66 2HE TYR 66 0.727 -5.584 -7.188 471 HE2 TYR 66 1HE TYR 66 -1.581 -4.045 -10.430 472 HH TYR 66 HH TYR 66 0.360 -6.503 -9.677 473 H PHE 67 H PHE 67 2.144 -0.913 -5.429 474 HA PHE 67 HA PHE 67 4.044 -2.761 -6.663 475 HB2 PHE 67 1HB PHE 67 4.729 -0.270 -5.175 476 HB3 PHE 67 2HB PHE 67 5.734 -1.690 -4.908 477 HD1 PHE 67 1HD PHE 67 4.242 0.228 -7.739 478 HD2 PHE 67 2HD PHE 67 7.573 -1.961 -6.248 479 HE1 PHE 67 1HE PHE 67 5.490 0.731 -9.799 480 HE2 PHE 67 2HE PHE 67 8.827 -1.461 -8.305 481 HZ PHE 67 HZ PHE 67 7.786 -0.112 -10.083 482 H PHE 68 H PHE 68 5.015 -4.248 -5.146 483 HA PHE 68 HA PHE 68 3.515 -4.493 -2.624 484 HB2 PHE 68 1HB PHE 68 3.973 -6.499 -4.779 485 HB3 PHE 68 2HB PHE 68 3.987 -7.068 -3.114 486 HD1 PHE 68 1HD PHE 68 1.953 -6.154 -1.662 487 HD2 PHE 68 2HD PHE 68 1.978 -6.532 -5.901 488 HE1 PHE 68 1HE PHE 68 -0.506 -6.227 -1.666 489 HE2 PHE 68 2HE PHE 68 -0.481 -6.605 -5.912 490 HZ PHE 68 HZ PHE 68 -1.727 -6.451 -3.793 491 H VAL 69 H VAL 69 5.015 -3.900 -1.163 492 HA VAL 69 HA VAL 69 7.620 -5.279 -1.253 493 HB VAL 69 HB VAL 69 7.024 -2.568 -0.059 494 HG11 VAL 69 1HG1 VAL 69 8.986 -4.346 0.676 495 HG12 VAL 69 2HG1 VAL 69 9.808 -3.309 -0.491 496 HG13 VAL 69 3HG1 VAL 69 9.030 -2.601 0.925 497 HG21 VAL 69 1HG2 VAL 69 7.167 -2.973 -2.660 498 HG22 VAL 69 2HG2 VAL 69 7.926 -1.568 -1.911 499 HG23 VAL 69 3HG2 VAL 69 8.900 -2.977 -2.332 500 H GLU 70 H GLU 70 7.388 -6.951 0.120 501 HA GLU 70 HA GLU 70 7.170 -8.096 2.074 502 HB2 GLU 70 1HB GLU 70 7.224 -5.338 3.314 503 HB3 GLU 70 2HB GLU 70 7.411 -6.852 4.188 504 HG2 GLU 70 1HG GLU 70 9.390 -7.248 2.557 505 HG3 GLU 70 2HG GLU 70 9.301 -5.505 2.313 506 H GLY 71 H GLY 71 4.835 -7.460 0.596 507 HA2 GLY 71 1HA GLY 71 2.602 -8.043 0.992 508 HA3 GLY 71 2HA GLY 71 2.868 -7.806 2.713 509 H GLU 72 H GLU 72 4.039 -5.154 2.370 510 HA GLU 72 HA GLU 72 1.572 -3.667 2.309 511 HB2 GLU 72 1HB GLU 72 3.539 -3.303 3.911 512 HB3 GLU 72 2HB GLU 72 4.336 -2.500 2.565 513 HG2 GLU 72 1HG GLU 72 3.311 -0.848 3.952 514 HG3 GLU 72 2HG GLU 72 2.431 -0.931 2.427 515 H LEU 73 H LEU 73 1.221 -1.769 1.011 516 HA LEU 73 HA LEU 73 2.277 -2.106 -1.695 517 HB2 LEU 73 1HB LEU 73 -0.177 -0.937 -0.514 518 HB3 LEU 73 2HB LEU 73 0.416 -0.223 -2.012 519 HG LEU 73 HG LEU 73 0.095 -3.175 -1.927 520 HD11 LEU 73 1HD1 LEU 73 -2.184 -3.222 -2.012 521 HD12 LEU 73 2HD1 LEU 73 -2.311 -1.557 -2.578 522 HD13 LEU 73 3HD1 LEU 73 -1.956 -1.887 -0.882 523 HD21 LEU 73 1HD2 LEU 73 -0.879 -1.430 -4.116 524 HD22 LEU 73 2HD2 LEU 73 -0.044 -2.983 -4.186 525 HD23 LEU 73 3HD2 LEU 73 0.864 -1.507 -3.852 526 H TYR 74 H TYR 74 2.686 -0.092 -2.965 527 HA TYR 74 HA TYR 74 3.340 2.324 -1.596 528 HB2 TYR 74 1HB TYR 74 5.564 0.447 -2.387 529 HB3 TYR 74 2HB TYR 74 5.819 2.178 -2.194 530 HD1 TYR 74 2HD TYR 74 5.413 3.226 0.054 531 HD2 TYR 74 1HD TYR 74 5.473 -0.990 -0.511 532 HE1 TYR 74 2HE TYR 74 5.747 2.913 2.471 533 HE2 TYR 74 1HE TYR 74 5.805 -1.316 1.904 534 HH TYR 74 HH TYR 74 5.229 0.960 4.161 535 H CYS 75 H CYS 75 4.216 3.963 -3.044 536 HA CYS 75 HA CYS 75 3.105 3.699 -5.687 537 HB2 CYS 75 1HB CYS 75 3.769 6.060 -5.952 538 HB3 CYS 75 2HB CYS 75 2.851 5.799 -4.472 539 H GLU 76 H GLU 76 4.406 4.528 -7.594 540 HA GLU 76 HA GLU 76 6.514 2.814 -8.143 541 HB2 GLU 76 1HB GLU 76 5.067 4.273 -9.730 542 HB3 GLU 76 2HB GLU 76 6.299 5.500 -9.470 543 HG2 GLU 76 1HG GLU 76 7.972 4.184 -10.464 544 HG3 GLU 76 2HG GLU 76 6.975 2.732 -10.404 545 H THR 77 H THR 77 6.549 6.055 -6.791 546 HA THR 77 HA THR 77 9.340 6.492 -6.997 547 HB THR 77 HB THR 77 7.359 7.693 -5.052 548 HG1 THR 77 1HG THR 77 6.848 8.989 -6.652 549 HG21 THR 77 1HG2 THR 77 9.864 9.071 -5.879 550 HG22 THR 77 2HG2 THR 77 9.980 7.793 -4.670 551 HG23 THR 77 3HG2 THR 77 8.950 9.194 -4.376 552 H HIS 78 H HIS 78 7.508 6.033 -3.975 553 HA HIS 78 HA HIS 78 9.701 5.344 -2.406 554 HB2 HIS 78 1HB HIS 78 6.755 4.809 -2.140 555 HB3 HIS 78 2HB HIS 78 7.895 4.193 -0.948 556 HD2 HIS 78 2HD HIS 78 9.741 6.752 -0.403 557 HE1 HIS 78 1HE HIS 78 6.113 8.876 0.168 558 HE2 HIS 78 2HE HIS 78 8.612 8.905 0.480 559 H ALA 79 H ALA 79 7.302 3.174 -3.904 560 HA ALA 79 HA ALA 79 8.253 0.738 -3.124 561 HB1 ALA 79 1HB ALA 79 7.161 -0.214 -4.990 562 HB2 ALA 79 2HB ALA 79 6.240 1.231 -4.571 563 HB3 ALA 79 3HB ALA 79 7.347 1.258 -5.944 564 H ARG 80 H ARG 80 9.285 2.480 -6.062 565 HA ARG 80 HA ARG 80 11.182 0.737 -6.999 566 HB2 ARG 80 1HB ARG 80 10.837 3.685 -7.133 567 HB3 ARG 80 2HB ARG 80 12.403 3.041 -7.608 568 HG2 ARG 80 1HG ARG 80 11.162 1.498 -9.167 569 HG3 ARG 80 2HG ARG 80 9.718 2.450 -8.817 570 HD2 ARG 80 1HD ARG 80 11.112 4.481 -9.495 571 HD3 ARG 80 2HD ARG 80 12.256 3.320 -10.167 572 HE ARG 80 HE ARG 80 9.799 4.139 -11.322 573 HH11 ARG 80 2HH1 ARG 80 11.875 1.372 -10.926 574 HH12 ARG 80 1HH1 ARG 80 11.340 0.599 -12.382 575 HH21 ARG 80 2HH2 ARG 80 9.087 3.132 -13.240 576 HH22 ARG 80 1HH2 ARG 80 9.755 1.601 -13.698 577 H ALA 81 H ALA 81 11.566 3.190 -4.476 578 HA ALA 81 HA ALA 81 14.331 2.867 -4.076 579 HB1 ALA 81 1HB ALA 81 13.741 4.729 -2.972 580 HB2 ALA 81 2HB ALA 81 12.107 4.145 -2.655 581 HB3 ALA 81 3HB ALA 81 13.443 3.631 -1.624 582 H ARG 82 H ARG 82 11.585 1.023 -2.991 583 HA ARG 82 HA ARG 82 13.108 -0.441 -1.010 584 HB2 ARG 82 1HB ARG 82 10.320 -0.975 -2.049 585 HB3 ARG 82 2HB ARG 82 11.048 -1.662 -0.604 586 HG2 ARG 82 1HG ARG 82 10.953 0.367 0.551 587 HG3 ARG 82 2HG ARG 82 10.700 1.296 -0.928 588 HD2 ARG 82 1HD ARG 82 8.488 0.348 -1.184 589 HD3 ARG 82 2HD ARG 82 8.742 -0.690 0.218 590 HE ARG 82 HE ARG 82 7.903 2.021 0.244 591 HH11 ARG 82 2HH1 ARG 82 9.834 -0.291 1.989 592 HH12 ARG 82 1HH1 ARG 82 9.641 0.504 3.516 593 HH21 ARG 82 2HH2 ARG 82 7.641 3.077 2.248 594 HH22 ARG 82 1HH2 ARG 82 8.393 2.420 3.662 595 H THR 83 H THR 83 11.206 -1.465 -3.852 596 HA THR 83 HA THR 83 12.408 -4.007 -4.034 597 HB THR 83 HB THR 83 10.280 -3.697 -5.073 598 HG1 THR 83 1HG THR 83 11.002 -5.095 -6.482 599 HG21 THR 83 1HG2 THR 83 10.472 -2.218 -7.321 600 HG22 THR 83 2HG2 THR 83 11.597 -1.346 -6.279 601 HG23 THR 83 3HG2 THR 83 9.923 -1.574 -5.775 602 H SER 84 H SER 84 13.228 -0.893 -5.418 603 HA SER 84 HA SER 84 14.983 -0.171 -6.676 604 HB2 SER 84 1HB SER 84 16.136 -1.100 -4.606 605 HB3 SER 84 2HB SER 84 16.492 -2.539 -5.562 606 HG SER 84 HG SER 84 17.223 -0.534 -7.051 607 H GLY 85 H GLY 85 13.170 -1.784 -8.059 608 HA2 GLY 85 1HA GLY 85 13.447 -2.297 -10.414 609 HA3 GLY 85 2HA GLY 85 14.981 -3.054 -10.011 610 HA PRO 86 HA PRO 86 11.273 -5.965 -8.759 611 HB2 PRO 86 1HB PRO 86 9.113 -5.671 -10.376 612 HB3 PRO 86 2HB PRO 86 9.293 -4.802 -8.848 613 HG2 PRO 86 1HG PRO 86 9.823 -3.856 -11.638 614 HG3 PRO 86 2HG PRO 86 9.020 -3.009 -10.303 615 HD2 PRO 86 1HD PRO 86 11.597 -2.539 -10.985 616 HD3 PRO 86 2HD PRO 86 11.015 -2.415 -9.313 617 H SER 87 H SER 87 12.952 -7.243 -9.773 618 HA SER 87 HA SER 87 12.993 -7.754 -12.563 619 HB2 SER 87 1HB SER 87 14.524 -9.572 -12.020 620 HB3 SER 87 2HB SER 87 14.937 -8.144 -11.071 621 HG SER 87 HG SER 87 13.174 -9.567 -9.690 622 H SER 88 H SER 88 11.280 -9.167 -9.867 623 HA SER 88 HA SER 88 10.413 -11.504 -11.272 624 HB2 SER 88 1HB SER 88 10.582 -11.102 -8.704 625 HB3 SER 88 2HB SER 88 8.984 -10.377 -8.880 626 HG SER 88 HG SER 88 8.155 -12.293 -9.131 627 H GLY 89 H GLY 89 8.937 -8.382 -10.457 628 HA2 GLY 89 1HA GLY 89 7.564 -7.482 -12.372 629 HA3 GLY 89 2HA GLY 89 6.742 -9.035 -12.324 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -49.308 16.937 45.867 2 HA2 GLY 1 1HA GLY 1 -49.653 19.200 45.338 3 HA3 GLY 1 2HA GLY 1 -48.349 19.102 44.164 4 H SER 2 H SER 2 -50.370 20.421 43.232 5 HA SER 2 HA SER 2 -51.860 18.509 41.555 6 HB2 SER 2 1HB SER 2 -53.767 19.964 41.566 7 HB3 SER 2 2HB SER 2 -53.272 19.744 43.245 8 HG SER 2 HG SER 2 -53.592 22.010 41.989 9 H SER 3 H SER 3 -51.194 18.593 39.525 10 HA SER 3 HA SER 3 -50.421 21.205 38.401 11 HB2 SER 3 1HB SER 3 -49.038 18.556 38.237 12 HB3 SER 3 2HB SER 3 -48.921 19.666 36.871 13 HG SER 3 HG SER 3 -48.160 21.251 38.389 14 H GLY 4 H GLY 4 -50.356 21.012 35.883 15 HA2 GLY 4 1HA GLY 4 -52.870 19.688 35.074 16 HA3 GLY 4 2HA GLY 4 -52.287 21.200 34.394 17 H SER 5 H SER 5 -52.527 17.923 33.904 18 HA SER 5 HA SER 5 -50.771 18.070 31.598 19 HB2 SER 5 1HB SER 5 -49.311 17.263 33.449 20 HB3 SER 5 2HB SER 5 -50.398 15.891 33.666 21 HG SER 5 HG SER 5 -49.946 15.564 31.293 22 H SER 6 H SER 6 -52.039 17.429 29.996 23 HA SER 6 HA SER 6 -53.803 15.111 30.443 24 HB2 SER 6 1HB SER 6 -54.332 17.614 28.832 25 HB3 SER 6 2HB SER 6 -55.322 16.159 28.719 26 HG SER 6 HG SER 6 -55.339 16.493 31.189 27 H GLY 7 H GLY 7 -54.351 13.915 28.442 28 HA2 GLY 7 1HA GLY 7 -53.839 13.016 26.360 29 HA3 GLY 7 2HA GLY 7 -52.595 14.242 26.168 30 H VAL 8 H VAL 8 -52.729 11.195 25.879 31 HA VAL 8 HA VAL 8 -50.186 10.702 27.257 32 HB VAL 8 HB VAL 8 -52.511 8.773 27.236 33 HG11 VAL 8 1HG1 VAL 8 -49.789 8.201 27.231 34 HG12 VAL 8 2HG1 VAL 8 -50.274 8.063 28.922 35 HG13 VAL 8 3HG1 VAL 8 -51.100 7.112 27.686 36 HG21 VAL 8 1HG2 VAL 8 -51.229 9.663 29.749 37 HG22 VAL 8 2HG2 VAL 8 -52.238 10.842 28.912 38 HG23 VAL 8 3HG2 VAL 8 -52.919 9.292 29.406 39 H ARG 9 H ARG 9 -48.730 10.227 25.761 40 HA ARG 9 HA ARG 9 -49.490 8.443 23.557 41 HB2 ARG 9 1HB ARG 9 -48.477 9.790 21.906 42 HB3 ARG 9 2HB ARG 9 -49.453 10.894 22.865 43 HG2 ARG 9 1HG ARG 9 -46.571 10.514 23.533 44 HG3 ARG 9 2HG ARG 9 -47.035 11.547 22.179 45 HD2 ARG 9 1HD ARG 9 -48.395 12.911 23.640 46 HD3 ARG 9 2HD ARG 9 -48.069 11.834 24.997 47 HE ARG 9 HE ARG 9 -45.612 12.560 24.432 48 HH11 ARG 9 2HH1 ARG 9 -48.490 14.518 24.466 49 HH12 ARG 9 1HH1 ARG 9 -47.652 15.973 24.893 50 HH21 ARG 9 2HH2 ARG 9 -44.498 14.469 24.994 51 HH22 ARG 9 1HH2 ARG 9 -45.381 15.945 25.192 52 H ALA 10 H ALA 10 -47.892 7.053 22.854 53 HA ALA 10 HA ALA 10 -45.306 7.186 24.252 54 HB1 ALA 10 1HB ALA 10 -45.369 4.976 24.920 55 HB2 ALA 10 2HB ALA 10 -47.041 5.482 25.164 56 HB3 ALA 10 3HB ALA 10 -46.603 4.543 23.736 57 HA PRO 11 HA PRO 11 -43.496 6.578 20.293 58 HB2 PRO 11 1HB PRO 11 -41.165 5.386 21.009 59 HB3 PRO 11 2HB PRO 11 -41.489 7.101 21.281 60 HG2 PRO 11 1HG PRO 11 -41.685 4.809 23.197 61 HG3 PRO 11 2HG PRO 11 -41.011 6.429 23.456 62 HD2 PRO 11 1HD PRO 11 -43.486 5.727 24.303 63 HD3 PRO 11 2HD PRO 11 -43.087 7.377 23.781 64 H VAL 12 H VAL 12 -42.921 4.976 18.748 65 HA VAL 12 HA VAL 12 -44.441 2.710 18.641 66 HB VAL 12 HB VAL 12 -42.874 1.837 16.942 67 HG11 VAL 12 1HG1 VAL 12 -43.969 4.572 16.935 68 HG12 VAL 12 2HG1 VAL 12 -42.793 4.213 15.669 69 HG13 VAL 12 3HG1 VAL 12 -44.251 3.232 15.824 70 HG21 VAL 12 1HG2 VAL 12 -40.934 3.422 16.374 71 HG22 VAL 12 2HG2 VAL 12 -41.124 4.022 18.021 72 HG23 VAL 12 3HG2 VAL 12 -40.735 2.325 17.741 73 H THR 13 H THR 13 -41.121 2.977 19.859 74 HA THR 13 HA THR 13 -39.773 1.459 20.930 75 HB THR 13 HB THR 13 -41.622 2.231 22.612 76 HG1 THR 13 1HG THR 13 -40.460 -0.091 23.570 77 HG21 THR 13 1HG2 THR 13 -43.380 0.894 22.903 78 HG22 THR 13 2HG2 THR 13 -42.314 -0.465 23.262 79 HG23 THR 13 3HG2 THR 13 -42.793 -0.135 21.598 80 H LYS 14 H LYS 14 -40.993 0.426 18.515 81 HA LYS 14 HA LYS 14 -41.769 -2.299 19.063 82 HB2 LYS 14 1HB LYS 14 -41.603 -0.546 16.692 83 HB3 LYS 14 2HB LYS 14 -41.314 -2.253 16.387 84 HG2 LYS 14 1HG LYS 14 -43.539 -2.343 16.160 85 HG3 LYS 14 2HG LYS 14 -43.534 -2.388 17.925 86 HD2 LYS 14 1HD LYS 14 -43.594 0.176 17.791 87 HD3 LYS 14 2HD LYS 14 -44.054 -0.058 16.103 88 HE2 LYS 14 1HE LYS 14 -45.509 -1.357 18.395 89 HE3 LYS 14 2HE LYS 14 -45.952 0.224 17.753 90 HZ1 LYS 14 1HZ LYS 14 -45.679 -1.961 15.839 91 HZ2 LYS 14 2HZ LYS 14 -46.773 -0.672 15.860 92 HZ3 LYS 14 3HZ LYS 14 -47.022 -2.009 16.867 93 H VAL 15 H VAL 15 -40.448 -3.982 19.259 94 HA VAL 15 HA VAL 15 -37.684 -3.797 19.365 95 HB VAL 15 HB VAL 15 -39.024 -5.652 20.339 96 HG11 VAL 15 1HG1 VAL 15 -40.432 -6.020 18.318 97 HG12 VAL 15 2HG1 VAL 15 -39.041 -6.779 17.543 98 HG13 VAL 15 3HG1 VAL 15 -39.746 -7.498 18.992 99 HG21 VAL 15 1HG2 VAL 15 -37.300 -7.208 20.233 100 HG22 VAL 15 2HG2 VAL 15 -36.937 -6.841 18.547 101 HG23 VAL 15 3HG2 VAL 15 -36.494 -5.696 19.813 102 H HIS 16 H HIS 16 -36.020 -4.223 17.962 103 HA HIS 16 HA HIS 16 -36.662 -4.966 15.208 104 HB2 HIS 16 1HB HIS 16 -36.598 -2.430 15.466 105 HB3 HIS 16 2HB HIS 16 -34.876 -2.605 15.790 106 HD1 HIS 16 1HD HIS 16 -34.195 -1.351 13.657 107 HD2 HIS 16 2HD HIS 16 -36.519 -4.722 12.949 108 HE1 HIS 16 1HE HIS 16 -34.042 -1.766 11.181 109 HE2 HIS 16 2HE HIS 16 -35.524 -3.759 10.764 110 H GLY 17 H GLY 17 -34.648 -5.418 13.928 111 HA2 GLY 17 1HA GLY 17 -32.118 -5.696 14.478 112 HA3 GLY 17 2HA GLY 17 -32.748 -6.824 15.670 113 H GLY 18 H GLY 18 -31.906 -8.692 14.846 114 HA2 GLY 18 1HA GLY 18 -33.221 -10.283 13.135 115 HA3 GLY 18 2HA GLY 18 -32.243 -9.325 12.033 116 H ALA 19 H ALA 19 -31.888 -11.993 12.015 117 HA ALA 19 HA ALA 19 -29.853 -12.876 13.814 118 HB1 ALA 19 1HB ALA 19 -31.253 -13.979 11.459 119 HB2 ALA 19 2HB ALA 19 -29.652 -14.635 11.802 120 HB3 ALA 19 3HB ALA 19 -30.917 -14.710 13.029 121 H GLY 20 H GLY 20 -27.701 -12.679 13.677 122 HA2 GLY 20 1HA GLY 20 -26.397 -10.849 12.123 123 HA3 GLY 20 2HA GLY 20 -25.608 -12.260 12.810 124 H SER 21 H SER 21 -26.306 -10.654 9.989 125 HA SER 21 HA SER 21 -26.318 -13.045 8.313 126 HB2 SER 21 1HB SER 21 -27.815 -11.012 7.890 127 HB3 SER 21 2HB SER 21 -26.354 -10.186 7.349 128 HG SER 21 HG SER 21 -26.839 -12.699 6.268 129 H ALA 22 H ALA 22 -24.555 -13.829 7.367 130 HA ALA 22 HA ALA 22 -22.131 -12.151 7.336 131 HB1 ALA 22 1HB ALA 22 -22.474 -15.104 7.756 132 HB2 ALA 22 2HB ALA 22 -20.925 -14.398 7.295 133 HB3 ALA 22 3HB ALA 22 -21.695 -13.923 8.808 134 H GLN 23 H GLN 23 -21.099 -11.829 5.449 135 HA GLN 23 HA GLN 23 -22.127 -13.257 3.086 136 HB2 GLN 23 1HB GLN 23 -21.069 -10.442 3.357 137 HB3 GLN 23 2HB GLN 23 -21.362 -11.221 1.808 138 HG2 GLN 23 1HG GLN 23 -23.470 -10.821 3.915 139 HG3 GLN 23 2HG GLN 23 -23.183 -9.712 2.575 140 HE21 GLN 23 1HE2 GLN 23 -25.105 -12.125 3.583 141 HE22 GLN 23 2HE2 GLN 23 -25.604 -12.778 2.063 142 H ARG 24 H ARG 24 -20.548 -13.413 1.267 143 HA ARG 24 HA ARG 24 -17.951 -14.236 2.334 144 HB2 ARG 24 1HB ARG 24 -19.586 -14.989 -0.040 145 HB3 ARG 24 2HB ARG 24 -17.839 -15.137 -0.166 146 HG2 ARG 24 1HG ARG 24 -18.432 -17.232 0.555 147 HG3 ARG 24 2HG ARG 24 -18.058 -16.429 2.082 148 HD2 ARG 24 1HD ARG 24 -20.277 -16.269 2.694 149 HD3 ARG 24 2HD ARG 24 -20.849 -16.358 1.028 150 HE ARG 24 HE ARG 24 -20.452 -18.536 2.805 151 HH11 ARG 24 2HH1 ARG 24 -20.202 -17.613 -0.542 152 HH12 ARG 24 1HH1 ARG 24 -20.437 -19.223 -1.139 153 HH21 ARG 24 2HH2 ARG 24 -20.762 -20.659 2.032 154 HH22 ARG 24 1HH2 ARG 24 -20.757 -20.954 0.327 155 H MET 25 H MET 25 -18.906 -11.421 1.570 156 HA MET 25 HA MET 25 -17.385 -10.618 -0.687 157 HB2 MET 25 1HB MET 25 -18.051 -8.442 -0.191 158 HB3 MET 25 2HB MET 25 -19.356 -9.411 0.480 159 HG2 MET 25 1HG MET 25 -17.052 -8.273 2.047 160 HG3 MET 25 2HG MET 25 -18.672 -7.587 1.964 161 HE1 MET 25 1HE MET 25 -16.474 -10.162 4.143 162 HE2 MET 25 2HE MET 25 -16.764 -8.427 4.277 163 HE3 MET 25 3HE MET 25 -17.526 -9.539 5.415 164 HA PRO 26 HA PRO 26 -13.319 -10.254 0.930 165 HB2 PRO 26 1HB PRO 26 -12.395 -8.115 -0.463 166 HB3 PRO 26 2HB PRO 26 -12.653 -9.701 -1.198 167 HG2 PRO 26 1HG PRO 26 -14.408 -7.277 -1.259 168 HG3 PRO 26 2HG PRO 26 -13.997 -8.393 -2.574 169 HD2 PRO 26 1HD PRO 26 -16.344 -8.527 -1.230 170 HD3 PRO 26 2HD PRO 26 -15.539 -9.964 -1.891 171 H LEU 27 H LEU 27 -12.171 -9.217 2.513 172 HA LEU 27 HA LEU 27 -13.469 -6.877 3.723 173 HB2 LEU 27 1HB LEU 27 -12.825 -9.205 4.886 174 HB3 LEU 27 2HB LEU 27 -11.324 -8.323 5.159 175 HG LEU 27 HG LEU 27 -12.847 -8.199 7.079 176 HD11 LEU 27 1HD1 LEU 27 -11.300 -6.268 6.182 177 HD12 LEU 27 2HD1 LEU 27 -12.374 -6.016 7.558 178 HD13 LEU 27 3HD1 LEU 27 -12.844 -5.445 5.957 179 HD21 LEU 27 1HD2 LEU 27 -14.744 -6.327 6.084 180 HD22 LEU 27 2HD2 LEU 27 -15.029 -7.906 6.816 181 HD23 LEU 27 3HD2 LEU 27 -14.796 -7.771 5.072 182 H CYS 28 H CYS 28 -12.552 -4.962 3.456 183 HA CYS 28 HA CYS 28 -10.220 -4.454 2.072 184 HB2 CYS 28 1HB CYS 28 -12.044 -2.806 2.655 185 HB3 CYS 28 2HB CYS 28 -11.318 -2.675 4.253 186 H ASP 29 H ASP 29 -8.172 -4.874 2.522 187 HA ASP 29 HA ASP 29 -7.331 -5.609 5.166 188 HB2 ASP 29 1HB ASP 29 -6.101 -5.542 2.461 189 HB3 ASP 29 2HB ASP 29 -5.007 -5.469 3.839 190 H LYS 30 H LYS 30 -7.944 -2.687 3.886 191 HA LYS 30 HA LYS 30 -5.651 -1.325 5.093 192 HB2 LYS 30 1HB LYS 30 -6.258 -0.596 2.855 193 HB3 LYS 30 2HB LYS 30 -7.910 -0.284 3.374 194 HG2 LYS 30 1HG LYS 30 -7.172 1.828 3.546 195 HG3 LYS 30 2HG LYS 30 -6.569 1.276 5.110 196 HD2 LYS 30 1HD LYS 30 -4.428 0.648 3.871 197 HD3 LYS 30 2HD LYS 30 -5.057 1.612 2.532 198 HE2 LYS 30 1HE LYS 30 -3.547 2.918 3.944 199 HE3 LYS 30 2HE LYS 30 -5.186 3.565 3.983 200 HZ1 LYS 30 1HZ LYS 30 -4.141 3.467 6.187 201 HZ2 LYS 30 2HZ LYS 30 -4.025 1.784 6.056 202 HZ3 LYS 30 3HZ LYS 30 -5.545 2.526 6.104 203 H CYS 31 H CYS 31 -9.207 -1.021 5.090 204 HA CYS 31 HA CYS 31 -9.021 0.092 7.810 205 HB2 CYS 31 1HB CYS 31 -11.116 1.219 7.402 206 HB3 CYS 31 2HB CYS 31 -10.016 1.583 6.077 207 H GLY 32 H GLY 32 -9.273 -2.782 6.666 208 HA2 GLY 32 1HA GLY 32 -10.533 -4.689 7.070 209 HA3 GLY 32 2HA GLY 32 -10.393 -4.101 8.720 210 H SER 33 H SER 33 -12.255 -2.865 5.955 211 HA SER 33 HA SER 33 -14.699 -3.263 7.554 212 HB2 SER 33 1HB SER 33 -13.740 -0.829 7.092 213 HB3 SER 33 2HB SER 33 -14.566 -1.053 5.549 214 HG SER 33 HG SER 33 -16.488 -1.304 6.624 215 H GLY 34 H GLY 34 -16.282 -4.385 6.608 216 HA2 GLY 34 1HA GLY 34 -16.074 -5.939 4.415 217 HA3 GLY 34 2HA GLY 34 -17.614 -5.270 4.932 218 H ILE 35 H ILE 35 -16.383 -5.845 2.233 219 HA ILE 35 HA ILE 35 -16.663 -3.143 1.090 220 HB ILE 35 HB ILE 35 -15.266 -5.516 -0.150 221 HG12 ILE 35 1HG1 ILE 35 -13.896 -3.029 0.827 222 HG13 ILE 35 2HG1 ILE 35 -14.236 -4.347 1.943 223 HG21 ILE 35 1HG2 ILE 35 -14.596 -2.902 -1.186 224 HG22 ILE 35 2HG2 ILE 35 -15.141 -4.346 -2.038 225 HG23 ILE 35 3HG2 ILE 35 -16.320 -3.238 -1.338 226 HD11 ILE 35 1HD1 ILE 35 -12.941 -5.866 0.545 227 HD12 ILE 35 2HD1 ILE 35 -12.605 -4.547 -0.577 228 HD13 ILE 35 3HD1 ILE 35 -11.977 -4.485 1.069 229 H VAL 36 H VAL 36 -18.460 -2.780 -0.015 230 HA VAL 36 HA VAL 36 -19.640 -4.899 -1.632 231 HB VAL 36 HB VAL 36 -21.227 -3.408 0.463 232 HG11 VAL 36 1HG1 VAL 36 -22.473 -3.722 -1.628 233 HG12 VAL 36 2HG1 VAL 36 -22.145 -5.454 -1.555 234 HG13 VAL 36 3HG1 VAL 36 -23.140 -4.691 -0.315 235 HG21 VAL 36 1HG2 VAL 36 -20.324 -6.266 0.230 236 HG22 VAL 36 2HG2 VAL 36 -20.059 -5.137 1.559 237 HG23 VAL 36 3HG2 VAL 36 -21.672 -5.781 1.259 238 H GLY 37 H GLY 37 -19.809 -4.026 -3.586 239 HA2 GLY 37 1HA GLY 37 -21.234 -2.439 -4.873 240 HA3 GLY 37 2HA GLY 37 -20.650 -1.198 -3.775 241 H ALA 38 H ALA 38 -18.011 -1.525 -3.654 242 HA ALA 38 HA ALA 38 -16.924 -1.836 -6.331 243 HB1 ALA 38 1HB ALA 38 -16.075 0.705 -5.158 244 HB2 ALA 38 2HB ALA 38 -16.532 0.314 -6.817 245 HB3 ALA 38 3HB ALA 38 -17.778 0.658 -5.616 246 H VAL 39 H VAL 39 -15.058 -2.877 -6.161 247 HA VAL 39 HA VAL 39 -13.375 -2.399 -3.794 248 HB VAL 39 HB VAL 39 -14.733 -4.657 -3.915 249 HG11 VAL 39 1HG1 VAL 39 -13.602 -4.994 -6.261 250 HG12 VAL 39 2HG1 VAL 39 -12.272 -5.626 -5.288 251 HG13 VAL 39 3HG1 VAL 39 -13.871 -6.363 -5.184 252 HG21 VAL 39 1HG2 VAL 39 -12.529 -3.774 -2.545 253 HG22 VAL 39 2HG2 VAL 39 -13.400 -5.274 -2.225 254 HG23 VAL 39 3HG2 VAL 39 -11.963 -5.290 -3.247 255 H VAL 40 H VAL 40 -11.102 -3.006 -4.109 256 HA VAL 40 HA VAL 40 -10.262 -3.005 -6.926 257 HB VAL 40 HB VAL 40 -9.098 -1.242 -4.766 258 HG11 VAL 40 1HG1 VAL 40 -7.570 -0.426 -6.432 259 HG12 VAL 40 2HG1 VAL 40 -7.421 -2.182 -6.341 260 HG13 VAL 40 3HG1 VAL 40 -8.312 -1.438 -7.670 261 HG21 VAL 40 1HG2 VAL 40 -10.863 -0.711 -7.129 262 HG22 VAL 40 2HG2 VAL 40 -11.048 -0.173 -5.459 263 HG23 VAL 40 3HG2 VAL 40 -9.805 0.545 -6.485 264 H LYS 41 H LYS 41 -9.437 -5.019 -7.045 265 HA LYS 41 HA LYS 41 -7.505 -5.846 -4.985 266 HB2 LYS 41 1HB LYS 41 -8.975 -7.593 -4.994 267 HB3 LYS 41 2HB LYS 41 -9.467 -7.312 -6.659 268 HG2 LYS 41 1HG LYS 41 -7.067 -8.160 -7.217 269 HG3 LYS 41 2HG LYS 41 -7.155 -8.870 -5.603 270 HD2 LYS 41 1HD LYS 41 -9.262 -9.990 -6.251 271 HD3 LYS 41 2HD LYS 41 -9.081 -9.336 -7.880 272 HE2 LYS 41 1HE LYS 41 -6.875 -10.935 -6.647 273 HE3 LYS 41 2HE LYS 41 -8.267 -11.752 -7.355 274 HZ1 LYS 41 1HZ LYS 41 -6.656 -9.745 -8.825 275 HZ2 LYS 41 2HZ LYS 41 -7.805 -10.814 -9.457 276 HZ3 LYS 41 3HZ LYS 41 -6.329 -11.404 -8.878 277 H ALA 42 H ALA 42 -5.427 -5.826 -5.508 278 HA ALA 42 HA ALA 42 -4.594 -5.308 -8.215 279 HB1 ALA 42 1HB ALA 42 -2.268 -5.535 -7.084 280 HB2 ALA 42 2HB ALA 42 -3.294 -4.155 -6.690 281 HB3 ALA 42 3HB ALA 42 -3.194 -5.524 -5.583 282 H ARG 43 H ARG 43 -3.107 -7.644 -6.004 283 HA ARG 43 HA ARG 43 -2.891 -9.523 -8.240 284 HB2 ARG 43 1HB ARG 43 -1.379 -9.116 -5.692 285 HB3 ARG 43 2HB ARG 43 -1.372 -10.706 -6.443 286 HG2 ARG 43 1HG ARG 43 -0.337 -9.884 -8.400 287 HG3 ARG 43 2HG ARG 43 -0.617 -8.207 -7.927 288 HD2 ARG 43 1HD ARG 43 0.962 -8.374 -6.142 289 HD3 ARG 43 2HD ARG 43 1.112 -10.116 -6.367 290 HE ARG 43 HE ARG 43 1.829 -8.799 -8.748 291 HH11 ARG 43 2HH1 ARG 43 2.977 -9.327 -5.504 292 HH12 ARG 43 1HH1 ARG 43 4.649 -9.177 -5.931 293 HH21 ARG 43 2HH2 ARG 43 4.027 -8.599 -9.323 294 HH22 ARG 43 1HH2 ARG 43 5.245 -8.761 -8.104 295 H ASP 44 H ASP 44 -3.014 -10.214 -4.772 296 HA ASP 44 HA ASP 44 -5.289 -12.014 -5.295 297 HB2 ASP 44 1HB ASP 44 -3.371 -13.359 -4.798 298 HB3 ASP 44 2HB ASP 44 -2.947 -12.350 -3.418 299 H LYS 45 H LYS 45 -4.013 -9.454 -3.384 300 HA LYS 45 HA LYS 45 -5.998 -9.720 -1.287 301 HB2 LYS 45 1HB LYS 45 -3.668 -7.933 -1.810 302 HB3 LYS 45 2HB LYS 45 -4.935 -7.349 -0.739 303 HG2 LYS 45 1HG LYS 45 -4.598 -9.703 0.392 304 HG3 LYS 45 2HG LYS 45 -3.007 -9.577 -0.364 305 HD2 LYS 45 1HD LYS 45 -4.201 -7.426 1.377 306 HD3 LYS 45 2HD LYS 45 -3.147 -8.703 1.989 307 HE2 LYS 45 1HE LYS 45 -1.576 -7.881 0.046 308 HE3 LYS 45 2HE LYS 45 -2.514 -6.397 0.209 309 HZ1 LYS 45 1HZ LYS 45 -1.454 -5.878 2.076 310 HZ2 LYS 45 2HZ LYS 45 -0.353 -7.110 1.714 311 HZ3 LYS 45 3HZ LYS 45 -1.664 -7.421 2.737 312 H TYR 46 H TYR 46 -7.255 -7.685 -0.693 313 HA TYR 46 HA TYR 46 -8.226 -6.317 -3.110 314 HB2 TYR 46 1HB TYR 46 -9.943 -7.446 -0.890 315 HB3 TYR 46 2HB TYR 46 -10.529 -6.493 -2.248 316 HD1 TYR 46 1HD TYR 46 -8.340 -9.496 -1.782 317 HD2 TYR 46 2HD TYR 46 -11.580 -7.714 -3.887 318 HE1 TYR 46 1HE TYR 46 -8.606 -11.554 -3.103 319 HE2 TYR 46 2HE TYR 46 -11.856 -9.767 -5.213 320 HH TYR 46 HH TYR 46 -10.622 -11.704 -5.884 321 H ARG 47 H ARG 47 -8.960 -4.206 -2.834 322 HA ARG 47 HA ARG 47 -8.846 -3.017 -0.178 323 HB2 ARG 47 1HB ARG 47 -7.120 -2.063 -2.470 324 HB3 ARG 47 2HB ARG 47 -7.345 -1.202 -0.953 325 HG2 ARG 47 1HG ARG 47 -6.390 -4.010 -0.836 326 HG3 ARG 47 2HG ARG 47 -5.264 -2.761 -1.372 327 HD2 ARG 47 1HD ARG 47 -5.683 -1.500 0.678 328 HD3 ARG 47 2HD ARG 47 -6.826 -2.733 1.209 329 HE ARG 47 HE ARG 47 -5.046 -4.158 1.681 330 HH11 ARG 47 2HH1 ARG 47 -3.944 -1.186 0.243 331 HH12 ARG 47 1HH1 ARG 47 -2.285 -1.440 0.673 332 HH21 ARG 47 2HH2 ARG 47 -2.865 -4.505 2.253 333 HH22 ARG 47 1HH2 ARG 47 -1.672 -3.329 1.816 334 H HIS 48 H HIS 48 -10.058 -1.151 0.033 335 HA HIS 48 HA HIS 48 -12.259 -0.823 -1.636 336 HB2 HIS 48 1HB HIS 48 -11.038 0.747 0.573 337 HB3 HIS 48 2HB HIS 48 -12.205 1.580 -0.450 338 HD2 HIS 48 2HD HIS 48 -14.413 -0.815 -0.756 339 HE1 HIS 48 1HE HIS 48 -14.442 -0.771 3.486 340 HE2 HIS 48 2HE HIS 48 -15.623 -1.559 1.405 341 HA PRO 49 HA PRO 49 -11.041 1.738 -4.982 342 HB2 PRO 49 1HB PRO 49 -13.108 3.485 -5.194 343 HB3 PRO 49 2HB PRO 49 -13.242 1.780 -5.641 344 HG2 PRO 49 1HG PRO 49 -14.106 3.153 -3.125 345 HG3 PRO 49 2HG PRO 49 -14.959 1.927 -4.080 346 HD2 PRO 49 1HD PRO 49 -13.607 1.326 -1.812 347 HD3 PRO 49 2HD PRO 49 -13.744 0.192 -3.171 348 H GLU 50 H GLU 50 -11.426 3.078 -1.871 349 HA GLU 50 HA GLU 50 -10.080 5.556 -2.728 350 HB2 GLU 50 1HB GLU 50 -11.050 6.643 -0.750 351 HB3 GLU 50 2HB GLU 50 -12.296 6.018 -1.821 352 HG2 GLU 50 1HG GLU 50 -12.308 3.961 -0.301 353 HG3 GLU 50 2HG GLU 50 -11.413 4.965 0.839 354 H CYS 51 H CYS 51 -10.064 2.823 -0.593 355 HA CYS 51 HA CYS 51 -8.065 3.775 1.199 356 HB2 CYS 51 1HB CYS 51 -9.103 1.014 0.561 357 HB3 CYS 51 2HB CYS 51 -7.846 1.301 1.761 358 H PHE 52 H PHE 52 -8.022 2.062 -1.854 359 HA PHE 52 HA PHE 52 -5.457 1.043 -1.892 360 HB2 PHE 52 1HB PHE 52 -7.442 1.112 -3.693 361 HB3 PHE 52 2HB PHE 52 -6.407 2.359 -4.381 362 HD1 PHE 52 2HD PHE 52 -5.597 -0.850 -2.671 363 HD2 PHE 52 1HD PHE 52 -5.373 1.469 -6.234 364 HE1 PHE 52 2HE PHE 52 -4.201 -2.589 -3.711 365 HE2 PHE 52 1HE PHE 52 -3.977 -0.267 -7.279 366 HZ PHE 52 HZ PHE 52 -3.388 -2.298 -6.017 367 H VAL 53 H VAL 53 -3.779 2.187 -1.107 368 HA VAL 53 HA VAL 53 -2.774 4.381 -2.668 369 HB VAL 53 HB VAL 53 -2.646 6.026 -0.900 370 HG11 VAL 53 1HG1 VAL 53 -5.003 6.620 -0.708 371 HG12 VAL 53 2HG1 VAL 53 -4.632 6.038 -2.333 372 HG13 VAL 53 3HG1 VAL 53 -5.464 4.987 -1.186 373 HG21 VAL 53 1HG2 VAL 53 -2.456 4.704 1.057 374 HG22 VAL 53 2HG2 VAL 53 -3.950 5.626 1.224 375 HG23 VAL 53 3HG2 VAL 53 -4.011 3.924 0.766 376 H CYS 54 H CYS 54 -0.705 5.273 -1.553 377 HA CYS 54 HA CYS 54 1.041 3.079 -1.153 378 HB2 CYS 54 1HB CYS 54 1.666 5.308 -2.148 379 HB3 CYS 54 2HB CYS 54 1.607 5.979 -0.521 380 H ALA 55 H ALA 55 2.592 3.027 0.755 381 HA ALA 55 HA ALA 55 1.008 3.193 3.226 382 HB1 ALA 55 1HB ALA 55 3.318 1.433 2.443 383 HB2 ALA 55 2HB ALA 55 2.726 1.558 4.100 384 HB3 ALA 55 3HB ALA 55 1.663 0.957 2.827 385 H ASP 56 H ASP 56 3.561 4.662 1.599 386 HA ASP 56 HA ASP 56 4.793 5.626 4.085 387 HB2 ASP 56 1HB ASP 56 6.133 4.627 2.079 388 HB3 ASP 56 2HB ASP 56 5.877 6.209 1.349 389 H CYS 57 H CYS 57 3.313 6.724 1.070 390 HA CYS 57 HA CYS 57 3.078 9.416 2.247 391 HB2 CYS 57 1HB CYS 57 2.896 10.236 -0.105 392 HB3 CYS 57 2HB CYS 57 4.453 9.504 0.268 393 H ASN 58 H ASN 58 1.410 6.673 1.121 394 HA ASN 58 HA ASN 58 -0.800 6.148 1.001 395 HB2 ASN 58 1HB ASN 58 -0.708 7.666 3.152 396 HB3 ASN 58 2HB ASN 58 -1.586 8.805 2.135 397 HD21 ASN 58 1HD2 ASN 58 -3.706 8.524 1.820 398 HD22 ASN 58 2HD2 ASN 58 -4.622 7.185 2.415 399 H LEU 59 H LEU 59 0.331 7.156 -1.281 400 HA LEU 59 HA LEU 59 -1.510 9.135 -2.376 401 HB2 LEU 59 1HB LEU 59 0.876 9.372 -2.834 402 HB3 LEU 59 2HB LEU 59 0.894 7.783 -3.594 403 HG LEU 59 HG LEU 59 -0.743 8.729 -5.286 404 HD11 LEU 59 1HD1 LEU 59 -1.366 10.878 -5.268 405 HD12 LEU 59 2HD1 LEU 59 0.232 11.441 -4.778 406 HD13 LEU 59 3HD1 LEU 59 -0.898 10.835 -3.568 407 HD21 LEU 59 1HD2 LEU 59 1.386 8.386 -6.116 408 HD22 LEU 59 2HD2 LEU 59 2.119 9.550 -5.012 409 HD23 LEU 59 3HD2 LEU 59 1.162 10.115 -6.383 410 H ASN 60 H ASN 60 -2.897 8.754 -4.088 411 HA ASN 60 HA ASN 60 -4.191 6.303 -4.213 412 HB2 ASN 60 1HB ASN 60 -4.748 8.760 -5.166 413 HB3 ASN 60 2HB ASN 60 -4.263 7.972 -6.665 414 HD21 ASN 60 1HD2 ASN 60 -6.219 7.237 -3.794 415 HD22 ASN 60 2HD2 ASN 60 -7.542 6.547 -4.665 416 H LEU 61 H LEU 61 -3.567 4.414 -5.005 417 HA LEU 61 HA LEU 61 -1.454 4.347 -7.036 418 HB2 LEU 61 1HB LEU 61 -2.541 2.111 -5.332 419 HB3 LEU 61 2HB LEU 61 -1.143 2.025 -6.402 420 HG LEU 61 HG LEU 61 -1.311 3.766 -3.945 421 HD11 LEU 61 1HD1 LEU 61 -1.046 0.996 -4.057 422 HD12 LEU 61 2HD1 LEU 61 -0.672 2.048 -2.693 423 HD13 LEU 61 3HD1 LEU 61 0.594 1.607 -3.838 424 HD21 LEU 61 1HD2 LEU 61 0.244 4.288 -5.982 425 HD22 LEU 61 2HD2 LEU 61 1.205 2.960 -5.331 426 HD23 LEU 61 3HD2 LEU 61 0.870 4.377 -4.335 427 H LYS 62 H LYS 62 -4.790 3.575 -6.493 428 HA LYS 62 HA LYS 62 -5.537 1.689 -8.215 429 HB2 LYS 62 1HB LYS 62 -7.248 2.910 -7.135 430 HB3 LYS 62 2HB LYS 62 -6.730 4.429 -7.853 431 HG2 LYS 62 1HG LYS 62 -8.622 3.934 -9.064 432 HG3 LYS 62 2HG LYS 62 -7.344 3.291 -10.098 433 HD2 LYS 62 1HD LYS 62 -8.542 1.480 -8.067 434 HD3 LYS 62 2HD LYS 62 -9.504 1.876 -9.493 435 HE2 LYS 62 1HE LYS 62 -6.674 1.068 -9.900 436 HE3 LYS 62 2HE LYS 62 -7.830 -0.182 -9.444 437 HZ1 LYS 62 1HZ LYS 62 -8.324 1.672 -11.697 438 HZ2 LYS 62 2HZ LYS 62 -9.097 0.206 -11.360 439 HZ3 LYS 62 3HZ LYS 62 -7.494 0.212 -11.901 440 H GLN 63 H GLN 63 -5.287 5.044 -9.404 441 HA GLN 63 HA GLN 63 -5.185 4.208 -12.129 442 HB2 GLN 63 1HB GLN 63 -4.581 6.653 -12.514 443 HB3 GLN 63 2HB GLN 63 -6.133 6.334 -11.752 444 HG2 GLN 63 1HG GLN 63 -5.250 6.900 -9.592 445 HG3 GLN 63 2HG GLN 63 -3.627 7.069 -10.260 446 HE21 GLN 63 1HE2 GLN 63 -6.904 8.365 -10.498 447 HE22 GLN 63 2HE2 GLN 63 -6.429 9.978 -10.894 448 H LYS 64 H LYS 64 -2.780 5.439 -9.833 449 HA LYS 64 HA LYS 64 -0.611 5.408 -11.660 450 HB2 LYS 64 1HB LYS 64 -0.690 5.372 -8.641 451 HB3 LYS 64 2HB LYS 64 0.793 5.517 -9.574 452 HG2 LYS 64 1HG LYS 64 -0.210 7.565 -10.640 453 HG3 LYS 64 2HG LYS 64 -1.497 7.458 -9.436 454 HD2 LYS 64 1HD LYS 64 -0.037 7.892 -7.665 455 HD3 LYS 64 2HD LYS 64 1.389 7.480 -8.619 456 HE2 LYS 64 1HE LYS 64 1.363 9.845 -8.389 457 HE3 LYS 64 2HE LYS 64 0.888 9.483 -10.047 458 HZ1 LYS 64 1HZ LYS 64 -1.482 9.636 -9.149 459 HZ2 LYS 64 2HZ LYS 64 -0.627 11.080 -9.358 460 HZ3 LYS 64 3HZ LYS 64 -0.799 10.415 -7.812 461 H GLY 65 H GLY 65 1.442 4.051 -10.893 462 HA2 GLY 65 1HA GLY 65 0.682 1.289 -11.328 463 HA3 GLY 65 2HA GLY 65 2.317 1.934 -11.309 464 H TYR 66 H TYR 66 0.013 0.156 -9.615 465 HA TYR 66 HA TYR 66 0.911 0.670 -6.955 466 HB2 TYR 66 1HB TYR 66 -0.581 -1.006 -6.278 467 HB3 TYR 66 2HB TYR 66 -1.338 -0.336 -7.719 468 HD1 TYR 66 2HD TYR 66 0.396 -3.239 -6.304 469 HD2 TYR 66 1HD TYR 66 -1.498 -1.634 -9.759 470 HE1 TYR 66 2HE TYR 66 0.315 -5.488 -7.297 471 HE2 TYR 66 1HE TYR 66 -1.586 -3.878 -10.761 472 HH TYR 66 HH TYR 66 0.086 -6.575 -9.378 473 H PHE 67 H PHE 67 1.993 -0.883 -5.570 474 HA PHE 67 HA PHE 67 3.722 -2.792 -6.969 475 HB2 PHE 67 1HB PHE 67 4.579 -0.439 -5.344 476 HB3 PHE 67 2HB PHE 67 5.529 -1.918 -5.238 477 HD1 PHE 67 1HD PHE 67 3.950 0.185 -7.889 478 HD2 PHE 67 2HD PHE 67 7.338 -2.063 -6.629 479 HE1 PHE 67 1HE PHE 67 5.124 0.797 -9.963 480 HE2 PHE 67 2HE PHE 67 8.517 -1.454 -8.701 481 HZ PHE 67 HZ PHE 67 7.411 -0.022 -10.371 482 H PHE 68 H PHE 68 5.034 -4.072 -5.238 483 HA PHE 68 HA PHE 68 3.485 -4.497 -2.798 484 HB2 PHE 68 1HB PHE 68 3.733 -6.416 -5.052 485 HB3 PHE 68 2HB PHE 68 3.876 -7.075 -3.426 486 HD1 PHE 68 1HD PHE 68 1.999 -6.385 -1.758 487 HD2 PHE 68 2HD PHE 68 1.646 -6.167 -5.994 488 HE1 PHE 68 1HE PHE 68 -0.453 -6.411 -1.552 489 HE2 PHE 68 2HE PHE 68 -0.806 -6.192 -5.795 490 HZ PHE 68 HZ PHE 68 -1.858 -6.313 -3.572 491 H VAL 69 H VAL 69 5.075 -3.997 -1.396 492 HA VAL 69 HA VAL 69 7.578 -5.542 -1.594 493 HB VAL 69 HB VAL 69 7.271 -2.728 -0.537 494 HG11 VAL 69 1HG1 VAL 69 9.855 -4.196 -0.950 495 HG12 VAL 69 2HG1 VAL 69 9.546 -2.738 -0.004 496 HG13 VAL 69 3HG1 VAL 69 8.967 -4.303 0.570 497 HG21 VAL 69 1HG2 VAL 69 7.244 -3.230 -3.092 498 HG22 VAL 69 2HG2 VAL 69 8.267 -1.937 -2.466 499 HG23 VAL 69 3HG2 VAL 69 8.972 -3.503 -2.869 500 H GLU 70 H GLU 70 7.529 -7.051 -0.062 501 HA GLU 70 HA GLU 70 7.362 -8.062 1.969 502 HB2 GLU 70 1HB GLU 70 7.494 -5.191 2.889 503 HB3 GLU 70 2HB GLU 70 7.474 -6.555 3.998 504 HG2 GLU 70 1HG GLU 70 9.505 -6.530 1.833 505 HG3 GLU 70 2HG GLU 70 9.724 -5.449 3.207 506 H GLY 71 H GLY 71 5.024 -7.901 0.595 507 HA2 GLY 71 1HA GLY 71 2.766 -8.189 0.892 508 HA3 GLY 71 2HA GLY 71 3.091 -8.269 2.617 509 H GLU 72 H GLU 72 4.140 -5.434 0.993 510 HA GLU 72 HA GLU 72 1.751 -3.983 1.919 511 HB2 GLU 72 1HB GLU 72 3.637 -3.657 3.487 512 HB3 GLU 72 2HB GLU 72 4.613 -3.039 2.161 513 HG2 GLU 72 1HG GLU 72 3.901 -1.089 3.097 514 HG3 GLU 72 2HG GLU 72 2.635 -1.346 1.897 515 H LEU 73 H LEU 73 1.243 -2.056 0.775 516 HA LEU 73 HA LEU 73 2.107 -2.149 -2.008 517 HB2 LEU 73 1HB LEU 73 -0.237 -1.114 -0.541 518 HB3 LEU 73 2HB LEU 73 0.252 -0.203 -1.969 519 HG LEU 73 HG LEU 73 -0.142 -3.157 -2.179 520 HD11 LEU 73 1HD1 LEU 73 -2.167 -1.347 -1.318 521 HD12 LEU 73 2HD1 LEU 73 -2.298 -3.067 -1.684 522 HD13 LEU 73 3HD1 LEU 73 -2.531 -1.874 -2.961 523 HD21 LEU 73 1HD2 LEU 73 0.768 -1.502 -3.977 524 HD22 LEU 73 2HD2 LEU 73 -0.934 -1.081 -4.174 525 HD23 LEU 73 3HD2 LEU 73 -0.400 -2.743 -4.430 526 H TYR 74 H TYR 74 2.720 -0.229 -3.156 527 HA TYR 74 HA TYR 74 3.412 2.149 -1.686 528 HB2 TYR 74 1HB TYR 74 5.541 0.262 -2.680 529 HB3 TYR 74 2HB TYR 74 5.856 1.975 -2.425 530 HD1 TYR 74 2HD TYR 74 5.578 2.928 -0.110 531 HD2 TYR 74 1HD TYR 74 5.521 -1.257 -0.872 532 HE1 TYR 74 2HE TYR 74 6.023 2.496 2.269 533 HE2 TYR 74 1HE TYR 74 5.965 -1.702 1.506 534 HH TYR 74 HH TYR 74 6.252 -0.822 3.522 535 H CYS 75 H CYS 75 4.214 3.859 -3.071 536 HA CYS 75 HA CYS 75 3.015 3.733 -5.691 537 HB2 CYS 75 1HB CYS 75 3.633 6.121 -5.832 538 HB3 CYS 75 2HB CYS 75 2.748 5.752 -4.355 539 H GLU 76 H GLU 76 4.135 4.357 -7.652 540 HA GLU 76 HA GLU 76 6.296 2.837 -8.307 541 HB2 GLU 76 1HB GLU 76 4.755 4.369 -9.766 542 HB3 GLU 76 2HB GLU 76 6.037 5.551 -9.548 543 HG2 GLU 76 1HG GLU 76 7.591 3.647 -10.364 544 HG3 GLU 76 2HG GLU 76 6.102 2.939 -10.989 545 H THR 77 H THR 77 6.327 6.067 -6.908 546 HA THR 77 HA THR 77 9.088 6.567 -7.181 547 HB THR 77 HB THR 77 7.224 7.626 -5.048 548 HG1 THR 77 1HG THR 77 7.843 8.553 -7.669 549 HG21 THR 77 1HG2 THR 77 9.830 7.859 -4.889 550 HG22 THR 77 2HG2 THR 77 8.793 9.249 -4.566 551 HG23 THR 77 3HG2 THR 77 9.593 9.089 -6.129 552 H HIS 78 H HIS 78 7.390 5.892 -4.119 553 HA HIS 78 HA HIS 78 9.673 5.210 -2.672 554 HB2 HIS 78 1HB HIS 78 6.755 4.593 -2.312 555 HB3 HIS 78 2HB HIS 78 7.954 3.929 -1.206 556 HD2 HIS 78 2HD HIS 78 9.785 6.505 -0.624 557 HE1 HIS 78 1HE HIS 78 6.147 8.490 0.285 558 HE2 HIS 78 2HE HIS 78 8.659 8.572 0.451 559 H ALA 79 H ALA 79 7.244 3.010 -4.084 560 HA ALA 79 HA ALA 79 8.308 0.585 -3.485 561 HB1 ALA 79 1HB ALA 79 6.219 1.083 -4.821 562 HB2 ALA 79 2HB ALA 79 7.263 1.191 -6.239 563 HB3 ALA 79 3HB ALA 79 7.156 -0.320 -5.336 564 H ARG 80 H ARG 80 9.177 2.508 -6.361 565 HA ARG 80 HA ARG 80 11.096 0.827 -7.425 566 HB2 ARG 80 1HB ARG 80 10.624 3.768 -7.519 567 HB3 ARG 80 2HB ARG 80 12.159 3.162 -8.124 568 HG2 ARG 80 1HG ARG 80 10.831 1.593 -9.582 569 HG3 ARG 80 2HG ARG 80 9.399 2.509 -9.110 570 HD2 ARG 80 1HD ARG 80 10.034 3.519 -11.102 571 HD3 ARG 80 2HD ARG 80 10.741 4.572 -9.878 572 HE ARG 80 HE ARG 80 12.781 2.949 -10.361 573 HH11 ARG 80 2HH1 ARG 80 10.597 4.522 -12.569 574 HH12 ARG 80 1HH1 ARG 80 11.763 4.636 -13.846 575 HH21 ARG 80 2HH2 ARG 80 14.325 3.094 -12.034 576 HH22 ARG 80 1HH2 ARG 80 13.883 3.823 -13.541 577 H ALA 81 H ALA 81 11.443 3.271 -4.893 578 HA ALA 81 HA ALA 81 14.247 3.099 -4.631 579 HB1 ALA 81 1HB ALA 81 12.160 4.553 -3.429 580 HB2 ALA 81 2HB ALA 81 13.028 3.742 -2.125 581 HB3 ALA 81 3HB ALA 81 13.897 4.793 -3.243 582 H ARG 82 H ARG 82 11.601 1.281 -3.195 583 HA ARG 82 HA ARG 82 13.266 -0.119 -1.326 584 HB2 ARG 82 1HB ARG 82 10.489 -0.825 -2.291 585 HB3 ARG 82 2HB ARG 82 11.287 -1.449 -0.853 586 HG2 ARG 82 1HG ARG 82 11.024 0.518 0.315 587 HG3 ARG 82 2HG ARG 82 10.875 1.489 -1.152 588 HD2 ARG 82 1HD ARG 82 8.698 1.448 -0.394 589 HD3 ARG 82 2HD ARG 82 8.709 0.097 -1.527 590 HE ARG 82 HE ARG 82 8.220 -1.270 0.224 591 HH11 ARG 82 2HH1 ARG 82 9.768 1.590 1.468 592 HH12 ARG 82 1HH1 ARG 82 9.591 1.122 3.127 593 HH21 ARG 82 2HH2 ARG 82 7.981 -1.896 2.404 594 HH22 ARG 82 1HH2 ARG 82 8.575 -0.861 3.658 595 H THR 83 H THR 83 11.366 -1.311 -4.102 596 HA THR 83 HA THR 83 12.987 -3.689 -4.274 597 HB THR 83 HB THR 83 10.485 -3.561 -4.781 598 HG1 THR 83 1HG THR 83 12.254 -4.735 -6.687 599 HG21 THR 83 1HG2 THR 83 11.269 -2.845 -7.568 600 HG22 THR 83 2HG2 THR 83 11.007 -1.549 -6.400 601 HG23 THR 83 3HG2 THR 83 9.709 -2.687 -6.761 602 H SER 84 H SER 84 14.013 -0.858 -4.880 603 HA SER 84 HA SER 84 14.592 -0.196 -7.379 604 HB2 SER 84 1HB SER 84 15.700 0.909 -5.534 605 HB3 SER 84 2HB SER 84 16.642 -0.539 -5.180 606 HG SER 84 HG SER 84 17.440 -0.253 -7.434 607 H GLY 85 H GLY 85 15.899 -3.058 -5.780 608 HA2 GLY 85 1HA GLY 85 17.838 -3.983 -7.382 609 HA3 GLY 85 2HA GLY 85 16.580 -5.046 -6.770 610 HA PRO 86 HA PRO 86 15.402 -5.927 -10.902 611 HB2 PRO 86 1HB PRO 86 12.797 -6.595 -10.529 612 HB3 PRO 86 2HB PRO 86 14.137 -7.637 -10.034 613 HG2 PRO 86 1HG PRO 86 12.490 -5.757 -8.386 614 HG3 PRO 86 2HG PRO 86 13.034 -7.400 -8.000 615 HD2 PRO 86 1HD PRO 86 14.268 -5.193 -7.033 616 HD3 PRO 86 2HD PRO 86 15.143 -6.695 -7.393 617 H SER 87 H SER 87 15.626 -3.753 -11.702 618 HA SER 87 HA SER 87 13.083 -2.626 -12.518 619 HB2 SER 87 1HB SER 87 15.082 -1.063 -10.874 620 HB3 SER 87 2HB SER 87 13.804 -0.307 -11.826 621 HG SER 87 HG SER 87 13.663 -1.511 -9.401 622 H SER 88 H SER 88 13.453 -2.848 -14.649 623 HA SER 88 HA SER 88 16.032 -2.177 -15.792 624 HB2 SER 88 1HB SER 88 14.699 -4.145 -16.579 625 HB3 SER 88 2HB SER 88 13.496 -3.022 -17.214 626 HG SER 88 HG SER 88 14.756 -3.263 -18.924 627 H GLY 89 H GLY 89 12.692 -0.987 -15.945 628 HA2 GLY 89 1HA GLY 89 13.749 1.615 -16.806 629 HA3 GLY 89 2HA GLY 89 12.475 0.865 -17.756 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -39.677 -40.494 -21.067 2 HA2 GLY 1 1HA GLY 1 -36.998 -40.270 -22.167 3 HA3 GLY 1 2HA GLY 1 -38.301 -39.915 -23.291 4 H SER 2 H SER 2 -36.132 -38.500 -21.337 5 HA SER 2 HA SER 2 -37.445 -35.970 -21.413 6 HB2 SER 2 1HB SER 2 -38.480 -37.142 -19.387 7 HB3 SER 2 2HB SER 2 -36.892 -37.007 -18.632 8 HG SER 2 HG SER 2 -38.647 -35.233 -18.436 9 H SER 3 H SER 3 -36.083 -34.236 -20.504 10 HA SER 3 HA SER 3 -33.261 -35.013 -20.230 11 HB2 SER 3 1HB SER 3 -34.483 -33.122 -22.195 12 HB3 SER 3 2HB SER 3 -32.889 -32.740 -21.544 13 HG SER 3 HG SER 3 -32.422 -33.983 -23.246 14 H GLY 4 H GLY 4 -31.982 -33.652 -18.954 15 HA2 GLY 4 1HA GLY 4 -32.277 -31.212 -17.951 16 HA3 GLY 4 2HA GLY 4 -33.513 -32.069 -17.043 17 H SER 5 H SER 5 -31.308 -30.776 -15.866 18 HA SER 5 HA SER 5 -29.371 -32.821 -15.180 19 HB2 SER 5 1HB SER 5 -28.351 -31.050 -13.783 20 HB3 SER 5 2HB SER 5 -28.598 -30.518 -15.445 21 HG SER 5 HG SER 5 -29.490 -29.386 -13.233 22 H SER 6 H SER 6 -31.748 -30.838 -13.413 23 HA SER 6 HA SER 6 -32.930 -31.219 -11.507 24 HB2 SER 6 1HB SER 6 -32.246 -34.107 -12.108 25 HB3 SER 6 2HB SER 6 -33.407 -33.583 -10.888 26 HG SER 6 HG SER 6 -33.630 -33.645 -13.645 27 H GLY 7 H GLY 7 -30.279 -30.432 -11.221 28 HA2 GLY 7 1HA GLY 7 -28.657 -30.225 -9.610 29 HA3 GLY 7 2HA GLY 7 -29.805 -30.975 -8.510 30 H VAL 8 H VAL 8 -26.808 -31.250 -9.045 31 HA VAL 8 HA VAL 8 -26.625 -34.077 -9.740 32 HB VAL 8 HB VAL 8 -24.959 -32.531 -10.679 33 HG11 VAL 8 1HG1 VAL 8 -23.477 -31.269 -9.415 34 HG12 VAL 8 2HG1 VAL 8 -24.992 -31.099 -8.526 35 HG13 VAL 8 3HG1 VAL 8 -23.755 -32.220 -7.956 36 HG21 VAL 8 1HG2 VAL 8 -23.991 -34.579 -10.687 37 HG22 VAL 8 2HG2 VAL 8 -22.907 -33.811 -9.528 38 HG23 VAL 8 3HG2 VAL 8 -24.234 -34.823 -8.958 39 H ARG 9 H ARG 9 -26.186 -31.929 -6.985 40 HA ARG 9 HA ARG 9 -26.064 -34.300 -5.249 41 HB2 ARG 9 1HB ARG 9 -24.356 -33.392 -3.913 42 HB3 ARG 9 2HB ARG 9 -23.826 -33.102 -5.565 43 HG2 ARG 9 1HG ARG 9 -25.375 -30.974 -4.188 44 HG3 ARG 9 2HG ARG 9 -23.691 -31.230 -3.725 45 HD2 ARG 9 1HD ARG 9 -22.909 -30.740 -5.880 46 HD3 ARG 9 2HD ARG 9 -24.507 -30.939 -6.598 47 HE ARG 9 HE ARG 9 -24.891 -28.862 -4.947 48 HH11 ARG 9 2HH1 ARG 9 -22.420 -29.533 -7.306 49 HH12 ARG 9 1HH1 ARG 9 -22.142 -27.865 -7.682 50 HH21 ARG 9 2HH2 ARG 9 -24.534 -26.662 -5.434 51 HH22 ARG 9 1HH2 ARG 9 -23.345 -26.232 -6.616 52 H ALA 10 H ALA 10 -26.750 -33.874 -3.018 53 HA ALA 10 HA ALA 10 -28.318 -31.466 -2.574 54 HB1 ALA 10 1HB ALA 10 -29.559 -33.779 -3.557 55 HB2 ALA 10 2HB ALA 10 -29.969 -33.697 -1.843 56 HB3 ALA 10 3HB ALA 10 -30.333 -32.335 -2.902 57 HA PRO 11 HA PRO 11 -26.267 -32.616 1.292 58 HB2 PRO 11 1HB PRO 11 -26.415 -30.124 2.357 59 HB3 PRO 11 2HB PRO 11 -25.169 -30.600 1.197 60 HG2 PRO 11 1HG PRO 11 -27.711 -29.089 0.733 61 HG3 PRO 11 2HG PRO 11 -26.093 -28.783 0.077 62 HD2 PRO 11 1HD PRO 11 -28.032 -30.025 -1.348 63 HD3 PRO 11 2HD PRO 11 -26.309 -30.403 -1.549 64 H VAL 12 H VAL 12 -26.923 -31.868 3.654 65 HA VAL 12 HA VAL 12 -29.858 -32.046 3.872 66 HB VAL 12 HB VAL 12 -28.874 -34.198 4.454 67 HG11 VAL 12 1HG1 VAL 12 -26.655 -33.194 5.138 68 HG12 VAL 12 2HG1 VAL 12 -27.405 -32.828 6.693 69 HG13 VAL 12 3HG1 VAL 12 -27.261 -34.501 6.154 70 HG21 VAL 12 1HG2 VAL 12 -29.505 -33.408 7.170 71 HG22 VAL 12 2HG2 VAL 12 -30.635 -32.720 6.004 72 HG23 VAL 12 3HG2 VAL 12 -30.388 -34.465 6.069 73 H THR 13 H THR 13 -30.612 -30.219 4.703 74 HA THR 13 HA THR 13 -29.649 -29.226 7.212 75 HB THR 13 HB THR 13 -28.008 -28.194 5.666 76 HG1 THR 13 1HG THR 13 -29.231 -25.906 6.329 77 HG21 THR 13 1HG2 THR 13 -28.563 -26.980 3.835 78 HG22 THR 13 2HG2 THR 13 -30.024 -26.328 4.578 79 HG23 THR 13 3HG2 THR 13 -30.030 -27.956 3.901 80 H LYS 14 H LYS 14 -30.903 -27.279 7.918 81 HA LYS 14 HA LYS 14 -33.646 -27.705 7.642 82 HB2 LYS 14 1HB LYS 14 -32.516 -26.509 9.532 83 HB3 LYS 14 2HB LYS 14 -32.316 -25.121 8.471 84 HG2 LYS 14 1HG LYS 14 -34.835 -25.152 8.191 85 HG3 LYS 14 2HG LYS 14 -34.865 -26.294 9.538 86 HD2 LYS 14 1HD LYS 14 -33.435 -24.510 10.759 87 HD3 LYS 14 2HD LYS 14 -34.039 -23.414 9.514 88 HE2 LYS 14 1HE LYS 14 -36.364 -24.263 10.153 89 HE3 LYS 14 2HE LYS 14 -35.590 -24.938 11.587 90 HZ1 LYS 14 1HZ LYS 14 -34.688 -22.370 11.494 91 HZ2 LYS 14 2HZ LYS 14 -35.922 -22.951 12.494 92 HZ3 LYS 14 3HZ LYS 14 -36.304 -22.228 11.013 93 H VAL 15 H VAL 15 -35.285 -26.294 6.741 94 HA VAL 15 HA VAL 15 -35.003 -25.796 4.038 95 HB VAL 15 HB VAL 15 -37.059 -24.462 4.178 96 HG11 VAL 15 1HG1 VAL 15 -37.797 -26.535 6.082 97 HG12 VAL 15 2HG1 VAL 15 -38.270 -26.325 4.395 98 HG13 VAL 15 3HG1 VAL 15 -36.751 -27.129 4.793 99 HG21 VAL 15 1HG2 VAL 15 -37.470 -23.236 5.983 100 HG22 VAL 15 2HG2 VAL 15 -37.760 -24.718 6.894 101 HG23 VAL 15 3HG2 VAL 15 -36.146 -24.011 6.853 102 H HIS 16 H HIS 16 -34.703 -23.945 2.788 103 HA HIS 16 HA HIS 16 -34.109 -21.405 3.988 104 HB2 HIS 16 1HB HIS 16 -31.809 -21.238 3.473 105 HB3 HIS 16 2HB HIS 16 -31.988 -22.804 4.257 106 HD1 HIS 16 1HD HIS 16 -31.491 -21.281 0.839 107 HD2 HIS 16 2HD HIS 16 -31.226 -24.967 2.739 108 HE1 HIS 16 1HE HIS 16 -30.410 -22.822 -0.829 109 HE2 HIS 16 2HE HIS 16 -30.338 -25.066 0.312 110 H GLY 17 H GLY 17 -33.238 -19.856 2.217 111 HA2 GLY 17 1HA GLY 17 -34.463 -20.577 -0.371 112 HA3 GLY 17 2HA GLY 17 -34.775 -19.024 0.389 113 H GLY 18 H GLY 18 -32.929 -17.576 0.706 114 HA2 GLY 18 1HA GLY 18 -30.690 -16.919 0.192 115 HA3 GLY 18 2HA GLY 18 -30.661 -18.131 -1.080 116 H ALA 19 H ALA 19 -31.612 -14.905 -0.204 117 HA ALA 19 HA ALA 19 -31.878 -14.259 -3.046 118 HB1 ALA 19 1HB ALA 19 -34.145 -14.470 -2.556 119 HB2 ALA 19 2HB ALA 19 -33.961 -13.769 -0.947 120 HB3 ALA 19 3HB ALA 19 -33.843 -12.741 -2.375 121 H GLY 20 H GLY 20 -32.145 -11.741 -3.235 122 HA2 GLY 20 1HA GLY 20 -31.421 -9.605 -2.658 123 HA3 GLY 20 2HA GLY 20 -30.806 -10.251 -1.144 124 H SER 21 H SER 21 -28.844 -9.160 -1.321 125 HA SER 21 HA SER 21 -27.164 -9.652 -3.640 126 HB2 SER 21 1HB SER 21 -26.748 -8.007 -1.136 127 HB3 SER 21 2HB SER 21 -25.539 -8.170 -2.410 128 HG SER 21 HG SER 21 -28.004 -6.843 -2.444 129 H ALA 22 H ALA 22 -25.099 -10.626 -3.534 130 HA ALA 22 HA ALA 22 -24.955 -13.016 -2.113 131 HB1 ALA 22 1HB ALA 22 -22.534 -13.008 -2.781 132 HB2 ALA 22 2HB ALA 22 -23.678 -12.776 -4.103 133 HB3 ALA 22 3HB ALA 22 -22.796 -11.396 -3.448 134 H GLN 23 H GLN 23 -23.841 -13.680 -0.291 135 HA GLN 23 HA GLN 23 -23.389 -11.612 1.690 136 HB2 GLN 23 1HB GLN 23 -23.493 -14.617 1.796 137 HB3 GLN 23 2HB GLN 23 -22.949 -13.666 3.171 138 HG2 GLN 23 1HG GLN 23 -25.033 -12.773 3.555 139 HG3 GLN 23 2HG GLN 23 -25.565 -13.030 1.894 140 HE21 GLN 23 1HE2 GLN 23 -26.839 -14.700 1.518 141 HE22 GLN 23 2HE2 GLN 23 -27.081 -16.047 2.572 142 H ARG 24 H ARG 24 -21.540 -14.249 0.190 143 HA ARG 24 HA ARG 24 -19.123 -13.818 1.521 144 HB2 ARG 24 1HB ARG 24 -19.426 -15.833 0.270 145 HB3 ARG 24 2HB ARG 24 -19.712 -14.939 -1.217 146 HG2 ARG 24 1HG ARG 24 -17.415 -14.231 -1.293 147 HG3 ARG 24 2HG ARG 24 -17.101 -14.967 0.280 148 HD2 ARG 24 1HD ARG 24 -18.121 -16.590 -2.027 149 HD3 ARG 24 2HD ARG 24 -16.401 -16.251 -1.838 150 HE ARG 24 HE ARG 24 -18.036 -17.720 0.127 151 HH11 ARG 24 2HH1 ARG 24 -15.003 -17.044 -1.444 152 HH12 ARG 24 1HH1 ARG 24 -14.140 -18.287 -0.600 153 HH21 ARG 24 2HH2 ARG 24 -16.911 -19.360 1.243 154 HH22 ARG 24 1HH2 ARG 24 -15.226 -19.605 0.927 155 H MET 25 H MET 25 -18.259 -11.831 1.660 156 HA MET 25 HA MET 25 -17.607 -10.469 -0.861 157 HB2 MET 25 1HB MET 25 -18.230 -8.354 -0.037 158 HB3 MET 25 2HB MET 25 -19.559 -9.418 0.406 159 HG2 MET 25 1HG MET 25 -17.326 -8.605 2.252 160 HG3 MET 25 2HG MET 25 -18.914 -7.842 2.190 161 HE1 MET 25 1HE MET 25 -17.853 -10.849 5.088 162 HE2 MET 25 2HE MET 25 -16.759 -10.048 3.960 163 HE3 MET 25 3HE MET 25 -17.792 -9.087 5.019 164 HA PRO 26 HA PRO 26 -13.503 -10.351 0.716 165 HB2 PRO 26 1HB PRO 26 -12.540 -8.229 -0.676 166 HB3 PRO 26 2HB PRO 26 -12.852 -9.802 -1.418 167 HG2 PRO 26 1HG PRO 26 -14.540 -7.330 -1.438 168 HG3 PRO 26 2HG PRO 26 -14.178 -8.448 -2.766 169 HD2 PRO 26 1HD PRO 26 -16.509 -8.526 -1.390 170 HD3 PRO 26 2HD PRO 26 -15.753 -9.981 -2.072 171 H LEU 27 H LEU 27 -12.355 -9.395 2.332 172 HA LEU 27 HA LEU 27 -13.564 -7.031 3.575 173 HB2 LEU 27 1HB LEU 27 -12.917 -9.379 4.693 174 HB3 LEU 27 2HB LEU 27 -11.398 -8.519 4.935 175 HG LEU 27 HG LEU 27 -12.809 -8.370 6.908 176 HD11 LEU 27 1HD1 LEU 27 -13.176 -5.643 6.389 177 HD12 LEU 27 2HD1 LEU 27 -11.778 -6.134 5.433 178 HD13 LEU 27 3HD1 LEU 27 -11.798 -6.415 7.174 179 HD21 LEU 27 1HD2 LEU 27 -14.991 -7.775 6.920 180 HD22 LEU 27 2HD2 LEU 27 -14.925 -8.372 5.261 181 HD23 LEU 27 3HD2 LEU 27 -14.805 -6.641 5.582 182 H CYS 28 H CYS 28 -12.622 -5.119 3.375 183 HA CYS 28 HA CYS 28 -10.346 -4.593 1.905 184 HB2 CYS 28 1HB CYS 28 -12.080 -2.922 2.581 185 HB3 CYS 28 2HB CYS 28 -11.375 -2.906 4.194 186 H ASP 29 H ASP 29 -8.207 -4.547 2.283 187 HA ASP 29 HA ASP 29 -7.266 -5.595 4.829 188 HB2 ASP 29 1HB ASP 29 -6.175 -5.377 2.081 189 HB3 ASP 29 2HB ASP 29 -5.005 -5.293 3.395 190 H LYS 30 H LYS 30 -8.006 -2.624 3.752 191 HA LYS 30 HA LYS 30 -5.692 -1.270 4.928 192 HB2 LYS 30 1HB LYS 30 -6.838 -0.625 2.678 193 HB3 LYS 30 2HB LYS 30 -8.044 0.137 3.706 194 HG2 LYS 30 1HG LYS 30 -6.700 1.923 3.470 195 HG3 LYS 30 2HG LYS 30 -5.817 1.161 4.795 196 HD2 LYS 30 1HD LYS 30 -4.527 -0.065 2.919 197 HD3 LYS 30 2HD LYS 30 -5.174 1.197 1.867 198 HE2 LYS 30 1HE LYS 30 -3.915 2.835 2.830 199 HE3 LYS 30 2HE LYS 30 -3.900 2.048 4.407 200 HZ1 LYS 30 1HZ LYS 30 -1.921 1.997 2.438 201 HZ2 LYS 30 2HZ LYS 30 -2.523 0.424 2.585 202 HZ3 LYS 30 3HZ LYS 30 -1.914 1.227 3.944 203 H CYS 31 H CYS 31 -9.240 -0.891 5.069 204 HA CYS 31 HA CYS 31 -8.951 0.038 7.841 205 HB2 CYS 31 1HB CYS 31 -11.197 0.993 7.575 206 HB3 CYS 31 2HB CYS 31 -10.106 1.581 6.325 207 H GLY 32 H GLY 32 -9.715 -2.699 6.109 208 HA2 GLY 32 1HA GLY 32 -10.660 -4.709 6.685 209 HA3 GLY 32 2HA GLY 32 -10.474 -4.194 8.355 210 H SER 33 H SER 33 -12.466 -2.842 5.744 211 HA SER 33 HA SER 33 -14.838 -3.398 7.402 212 HB2 SER 33 1HB SER 33 -14.102 -0.944 5.823 213 HB3 SER 33 2HB SER 33 -15.783 -1.304 6.212 214 HG SER 33 HG SER 33 -15.414 -0.567 8.133 215 H GLY 34 H GLY 34 -16.276 -4.697 6.482 216 HA2 GLY 34 1HA GLY 34 -16.182 -6.106 4.246 217 HA3 GLY 34 2HA GLY 34 -17.716 -5.448 4.796 218 H ILE 35 H ILE 35 -16.286 -5.922 2.086 219 HA ILE 35 HA ILE 35 -16.657 -3.216 0.994 220 HB ILE 35 HB ILE 35 -15.279 -5.568 -0.304 221 HG12 ILE 35 1HG1 ILE 35 -13.941 -3.105 0.801 222 HG13 ILE 35 2HG1 ILE 35 -14.197 -4.537 1.792 223 HG21 ILE 35 1HG2 ILE 35 -15.571 -4.359 -2.155 224 HG22 ILE 35 2HG2 ILE 35 -16.114 -2.950 -1.245 225 HG23 ILE 35 3HG2 ILE 35 -14.390 -3.237 -1.479 226 HD11 ILE 35 1HD1 ILE 35 -12.302 -4.067 -0.410 227 HD12 ILE 35 2HD1 ILE 35 -12.137 -5.044 1.049 228 HD13 ILE 35 3HD1 ILE 35 -13.033 -5.670 -0.335 229 H VAL 36 H VAL 36 -18.480 -2.827 -0.058 230 HA VAL 36 HA VAL 36 -19.684 -4.927 -1.697 231 HB VAL 36 HB VAL 36 -21.229 -3.377 0.387 232 HG11 VAL 36 1HG1 VAL 36 -22.232 -3.986 -1.992 233 HG12 VAL 36 2HG1 VAL 36 -22.459 -5.553 -1.213 234 HG13 VAL 36 3HG1 VAL 36 -23.189 -4.106 -0.515 235 HG21 VAL 36 1HG2 VAL 36 -21.424 -5.321 1.612 236 HG22 VAL 36 2HG2 VAL 36 -21.087 -6.356 0.225 237 HG23 VAL 36 3HG2 VAL 36 -19.778 -5.459 0.993 238 H GLY 37 H GLY 37 -19.793 -4.061 -3.661 239 HA2 GLY 37 1HA GLY 37 -21.129 -2.496 -5.026 240 HA3 GLY 37 2HA GLY 37 -20.661 -1.244 -3.885 241 H ALA 38 H ALA 38 -18.036 -1.440 -3.596 242 HA ALA 38 HA ALA 38 -16.811 -1.627 -6.243 243 HB1 ALA 38 1HB ALA 38 -15.996 0.560 -6.303 244 HB2 ALA 38 2HB ALA 38 -17.669 0.741 -5.772 245 HB3 ALA 38 3HB ALA 38 -16.356 0.839 -4.599 246 H VAL 39 H VAL 39 -14.789 -2.415 -6.178 247 HA VAL 39 HA VAL 39 -13.228 -2.223 -3.717 248 HB VAL 39 HB VAL 39 -14.644 -4.431 -3.894 249 HG11 VAL 39 1HG1 VAL 39 -12.237 -5.458 -5.312 250 HG12 VAL 39 2HG1 VAL 39 -13.871 -6.119 -5.234 251 HG13 VAL 39 3HG1 VAL 39 -13.529 -4.728 -6.263 252 HG21 VAL 39 1HG2 VAL 39 -12.316 -3.675 -2.582 253 HG22 VAL 39 2HG2 VAL 39 -13.342 -5.058 -2.198 254 HG23 VAL 39 3HG2 VAL 39 -11.946 -5.262 -3.257 255 H VAL 40 H VAL 40 -10.971 -2.863 -4.019 256 HA VAL 40 HA VAL 40 -10.093 -2.827 -6.825 257 HB VAL 40 HB VAL 40 -8.942 -1.122 -4.612 258 HG11 VAL 40 1HG1 VAL 40 -7.499 -0.233 -6.483 259 HG12 VAL 40 2HG1 VAL 40 -7.117 -1.864 -5.927 260 HG13 VAL 40 3HG1 VAL 40 -8.014 -1.630 -7.429 261 HG21 VAL 40 1HG2 VAL 40 -10.784 0.060 -5.332 262 HG22 VAL 40 2HG2 VAL 40 -9.536 0.669 -6.419 263 HG23 VAL 40 3HG2 VAL 40 -10.672 -0.559 -6.979 264 H LYS 41 H LYS 41 -9.312 -4.858 -6.970 265 HA LYS 41 HA LYS 41 -7.411 -5.756 -4.910 266 HB2 LYS 41 1HB LYS 41 -8.862 -7.500 -4.917 267 HB3 LYS 41 2HB LYS 41 -9.452 -7.138 -6.533 268 HG2 LYS 41 1HG LYS 41 -7.190 -8.040 -7.343 269 HG3 LYS 41 2HG LYS 41 -7.049 -8.728 -5.724 270 HD2 LYS 41 1HD LYS 41 -9.394 -9.698 -6.167 271 HD3 LYS 41 2HD LYS 41 -9.065 -9.333 -7.862 272 HE2 LYS 41 1HE LYS 41 -8.327 -11.511 -7.700 273 HE3 LYS 41 2HE LYS 41 -6.839 -10.609 -7.418 274 HZ1 LYS 41 1HZ LYS 41 -6.996 -12.321 -5.793 275 HZ2 LYS 41 2HZ LYS 41 -8.573 -11.878 -5.373 276 HZ3 LYS 41 3HZ LYS 41 -7.280 -10.852 -5.003 277 H ALA 42 H ALA 42 -5.332 -5.841 -5.432 278 HA ALA 42 HA ALA 42 -4.496 -5.329 -8.150 279 HB1 ALA 42 1HB ALA 42 -3.065 -5.572 -5.529 280 HB2 ALA 42 2HB ALA 42 -2.177 -5.529 -7.052 281 HB3 ALA 42 3HB ALA 42 -3.208 -4.174 -6.594 282 H ARG 43 H ARG 43 -3.024 -7.649 -5.915 283 HA ARG 43 HA ARG 43 -2.838 -9.562 -8.123 284 HB2 ARG 43 1HB ARG 43 -1.361 -9.229 -5.528 285 HB3 ARG 43 2HB ARG 43 -1.304 -10.753 -6.405 286 HG2 ARG 43 1HG ARG 43 -0.088 -9.873 -8.136 287 HG3 ARG 43 2HG ARG 43 -0.680 -8.233 -7.860 288 HD2 ARG 43 1HD ARG 43 0.702 -7.998 -5.915 289 HD3 ARG 43 2HD ARG 43 1.175 -9.695 -5.989 290 HE ARG 43 HE ARG 43 1.848 -8.109 -8.316 291 HH11 ARG 43 2HH1 ARG 43 2.881 -9.369 -5.240 292 HH12 ARG 43 1HH1 ARG 43 4.570 -9.218 -5.599 293 HH21 ARG 43 2HH2 ARG 43 4.067 -7.905 -8.800 294 HH22 ARG 43 1HH2 ARG 43 5.243 -8.384 -7.623 295 H ASP 44 H ASP 44 -2.972 -10.216 -4.649 296 HA ASP 44 HA ASP 44 -5.277 -11.983 -5.152 297 HB2 ASP 44 1HB ASP 44 -3.229 -12.388 -2.973 298 HB3 ASP 44 2HB ASP 44 -4.439 -13.531 -3.550 299 H LYS 45 H LYS 45 -3.986 -9.399 -3.305 300 HA LYS 45 HA LYS 45 -5.966 -9.621 -1.192 301 HB2 LYS 45 1HB LYS 45 -3.596 -7.895 -1.723 302 HB3 LYS 45 2HB LYS 45 -4.857 -7.258 -0.676 303 HG2 LYS 45 1HG LYS 45 -4.581 -9.618 0.485 304 HG3 LYS 45 2HG LYS 45 -2.973 -9.505 -0.234 305 HD2 LYS 45 1HD LYS 45 -4.206 -7.349 1.476 306 HD3 LYS 45 2HD LYS 45 -3.143 -8.613 2.100 307 HE2 LYS 45 1HE LYS 45 -1.602 -7.745 0.113 308 HE3 LYS 45 2HE LYS 45 -2.520 -6.266 0.393 309 HZ1 LYS 45 1HZ LYS 45 -1.225 -7.711 2.619 310 HZ2 LYS 45 2HZ LYS 45 -1.732 -6.099 2.560 311 HZ3 LYS 45 3HZ LYS 45 -0.368 -6.589 1.687 312 H TYR 46 H TYR 46 -7.221 -7.599 -0.625 313 HA TYR 46 HA TYR 46 -8.137 -6.204 -3.049 314 HB2 TYR 46 1HB TYR 46 -9.918 -7.300 -0.863 315 HB3 TYR 46 2HB TYR 46 -10.453 -6.380 -2.265 316 HD1 TYR 46 1HD TYR 46 -8.327 -9.395 -1.618 317 HD2 TYR 46 2HD TYR 46 -11.427 -7.626 -3.933 318 HE1 TYR 46 1HE TYR 46 -8.561 -11.486 -2.892 319 HE2 TYR 46 2HE TYR 46 -11.670 -9.712 -5.213 320 HH TYR 46 HH TYR 46 -9.949 -12.630 -4.315 321 H ARG 47 H ARG 47 -8.924 -4.099 -2.751 322 HA ARG 47 HA ARG 47 -8.801 -2.931 -0.088 323 HB2 ARG 47 1HB ARG 47 -7.097 -1.927 -2.376 324 HB3 ARG 47 2HB ARG 47 -7.305 -1.110 -0.832 325 HG2 ARG 47 1HG ARG 47 -6.328 -3.919 -0.835 326 HG3 ARG 47 2HG ARG 47 -5.219 -2.627 -1.302 327 HD2 ARG 47 1HD ARG 47 -5.733 -1.468 0.817 328 HD3 ARG 47 2HD ARG 47 -6.762 -2.823 1.282 329 HE ARG 47 HE ARG 47 -4.857 -4.136 1.611 330 HH11 ARG 47 2HH1 ARG 47 -4.051 -0.947 0.469 331 HH12 ARG 47 1HH1 ARG 47 -2.376 -1.077 0.892 332 HH21 ARG 47 2HH2 ARG 47 -2.653 -4.319 2.172 333 HH22 ARG 47 1HH2 ARG 47 -1.582 -2.996 1.859 334 H HIS 48 H HIS 48 -10.071 -1.123 0.155 335 HA HIS 48 HA HIS 48 -12.248 -0.778 -1.541 336 HB2 HIS 48 1HB HIS 48 -11.090 0.749 0.733 337 HB3 HIS 48 2HB HIS 48 -12.267 1.581 -0.279 338 HD2 HIS 48 2HD HIS 48 -14.455 -0.778 -0.678 339 HE1 HIS 48 1HE HIS 48 -14.448 -1.001 3.559 340 HE2 HIS 48 2HE HIS 48 -15.644 -1.661 1.443 341 HA PRO 49 HA PRO 49 -11.029 1.921 -4.776 342 HB2 PRO 49 1HB PRO 49 -13.108 3.658 -4.945 343 HB3 PRO 49 2HB PRO 49 -13.224 1.970 -5.455 344 HG2 PRO 49 1HG PRO 49 -14.122 3.243 -2.899 345 HG3 PRO 49 2HG PRO 49 -14.957 2.045 -3.906 346 HD2 PRO 49 1HD PRO 49 -13.621 1.373 -1.648 347 HD3 PRO 49 2HD PRO 49 -13.735 0.288 -3.049 348 H GLU 50 H GLU 50 -11.462 3.148 -1.624 349 HA GLU 50 HA GLU 50 -10.120 5.662 -2.376 350 HB2 GLU 50 1HB GLU 50 -11.142 6.707 -0.428 351 HB3 GLU 50 2HB GLU 50 -12.379 6.030 -1.478 352 HG2 GLU 50 1HG GLU 50 -12.590 4.102 -0.007 353 HG3 GLU 50 2HG GLU 50 -11.330 4.754 1.039 354 H CYS 51 H CYS 51 -10.084 2.835 -0.388 355 HA CYS 51 HA CYS 51 -8.123 3.747 1.481 356 HB2 CYS 51 1HB CYS 51 -9.144 1.003 0.747 357 HB3 CYS 51 2HB CYS 51 -7.908 1.261 1.973 358 H PHE 52 H PHE 52 -8.044 2.104 -1.614 359 HA PHE 52 HA PHE 52 -5.466 1.114 -1.644 360 HB2 PHE 52 1HB PHE 52 -7.426 1.140 -3.452 361 HB3 PHE 52 2HB PHE 52 -6.456 2.452 -4.115 362 HD1 PHE 52 2HD PHE 52 -5.512 -0.769 -2.493 363 HD2 PHE 52 1HD PHE 52 -5.358 1.671 -5.977 364 HE1 PHE 52 2HE PHE 52 -4.037 -2.414 -3.576 365 HE2 PHE 52 1HE PHE 52 -3.883 0.030 -7.066 366 HZ PHE 52 HZ PHE 52 -3.220 -2.015 -5.865 367 H VAL 53 H VAL 53 -3.797 2.261 -0.854 368 HA VAL 53 HA VAL 53 -2.837 4.507 -2.375 369 HB VAL 53 HB VAL 53 -2.707 6.103 -0.562 370 HG11 VAL 53 1HG1 VAL 53 -4.705 6.144 -1.965 371 HG12 VAL 53 2HG1 VAL 53 -5.512 5.032 -0.858 372 HG13 VAL 53 3HG1 VAL 53 -5.074 6.653 -0.318 373 HG21 VAL 53 1HG2 VAL 53 -2.483 4.642 1.329 374 HG22 VAL 53 2HG2 VAL 53 -3.899 5.662 1.580 375 HG23 VAL 53 3HG2 VAL 53 -4.099 3.986 1.072 376 H CYS 54 H CYS 54 -0.737 5.351 -1.382 377 HA CYS 54 HA CYS 54 1.017 3.170 -1.005 378 HB2 CYS 54 1HB CYS 54 1.580 5.436 -1.999 379 HB3 CYS 54 2HB CYS 54 1.625 6.054 -0.351 380 H ALA 55 H ALA 55 2.610 3.102 0.860 381 HA ALA 55 HA ALA 55 1.097 3.282 3.375 382 HB1 ALA 55 1HB ALA 55 1.803 1.030 2.746 383 HB2 ALA 55 2HB ALA 55 3.484 1.564 2.705 384 HB3 ALA 55 3HB ALA 55 2.597 1.559 4.230 385 H ASP 56 H ASP 56 3.493 4.843 1.684 386 HA ASP 56 HA ASP 56 4.835 5.763 4.138 387 HB2 ASP 56 1HB ASP 56 6.137 4.716 2.128 388 HB3 ASP 56 2HB ASP 56 5.895 6.294 1.382 389 H CYS 57 H CYS 57 3.311 6.827 1.134 390 HA CYS 57 HA CYS 57 3.112 9.535 2.280 391 HB2 CYS 57 1HB CYS 57 2.977 10.359 -0.059 392 HB3 CYS 57 2HB CYS 57 4.509 9.568 0.301 393 H ASN 58 H ASN 58 1.427 6.789 1.246 394 HA ASN 58 HA ASN 58 -0.789 6.281 1.153 395 HB2 ASN 58 1HB ASN 58 -0.688 7.995 3.177 396 HB3 ASN 58 2HB ASN 58 -1.601 9.007 2.061 397 HD21 ASN 58 1HD2 ASN 58 -3.718 8.685 1.868 398 HD22 ASN 58 2HD2 ASN 58 -4.593 7.368 2.564 399 H LEU 59 H LEU 59 0.362 7.073 -1.186 400 HA LEU 59 HA LEU 59 -1.404 9.018 -2.448 401 HB2 LEU 59 1HB LEU 59 1.175 8.722 -2.785 402 HB3 LEU 59 2HB LEU 59 0.680 7.467 -3.920 403 HG LEU 59 HG LEU 59 -0.027 10.397 -4.072 404 HD11 LEU 59 1HD1 LEU 59 1.479 8.987 -6.193 405 HD12 LEU 59 2HD1 LEU 59 2.342 9.349 -4.698 406 HD13 LEU 59 3HD1 LEU 59 1.601 10.653 -5.626 407 HD21 LEU 59 1HD2 LEU 59 -1.826 9.604 -5.164 408 HD22 LEU 59 2HD2 LEU 59 -1.112 8.009 -5.402 409 HD23 LEU 59 3HD2 LEU 59 -0.678 9.340 -6.476 410 H ASN 60 H ASN 60 -2.992 8.533 -3.863 411 HA ASN 60 HA ASN 60 -4.222 6.055 -3.872 412 HB2 ASN 60 1HB ASN 60 -4.903 8.498 -4.805 413 HB3 ASN 60 2HB ASN 60 -4.563 7.678 -6.326 414 HD21 ASN 60 1HD2 ASN 60 -6.193 6.968 -3.251 415 HD22 ASN 60 2HD2 ASN 60 -7.594 6.254 -3.966 416 H LEU 61 H LEU 61 -3.348 4.202 -4.527 417 HA LEU 61 HA LEU 61 -1.548 4.165 -6.823 418 HB2 LEU 61 1HB LEU 61 -2.309 1.841 -5.076 419 HB3 LEU 61 2HB LEU 61 -0.903 1.994 -6.127 420 HG LEU 61 HG LEU 61 -1.346 3.615 -3.622 421 HD11 LEU 61 1HD1 LEU 61 -0.685 1.845 -2.466 422 HD12 LEU 61 2HD1 LEU 61 0.842 1.875 -3.347 423 HD13 LEU 61 3HD1 LEU 61 -0.501 0.900 -3.944 424 HD21 LEU 61 1HD2 LEU 61 1.360 3.290 -4.632 425 HD22 LEU 61 2HD2 LEU 61 0.499 4.752 -4.149 426 HD23 LEU 61 3HD2 LEU 61 0.300 4.109 -5.779 427 H LYS 62 H LYS 62 -4.673 4.303 -6.694 428 HA LYS 62 HA LYS 62 -5.673 1.977 -7.917 429 HB2 LYS 62 1HB LYS 62 -7.269 3.438 -6.988 430 HB3 LYS 62 2HB LYS 62 -6.613 4.833 -7.836 431 HG2 LYS 62 1HG LYS 62 -8.590 4.371 -8.962 432 HG3 LYS 62 2HG LYS 62 -7.347 3.636 -9.978 433 HD2 LYS 62 1HD LYS 62 -7.820 1.480 -8.687 434 HD3 LYS 62 2HD LYS 62 -9.277 2.291 -8.106 435 HE2 LYS 62 1HE LYS 62 -10.206 2.409 -10.240 436 HE3 LYS 62 2HE LYS 62 -8.651 2.166 -11.034 437 HZ1 LYS 62 1HZ LYS 62 -8.992 -0.008 -11.061 438 HZ2 LYS 62 2HZ LYS 62 -10.553 0.247 -10.462 439 HZ3 LYS 62 3HZ LYS 62 -9.276 -0.054 -9.394 440 H GLN 63 H GLN 63 -5.168 5.139 -9.494 441 HA GLN 63 HA GLN 63 -5.128 3.937 -12.096 442 HB2 GLN 63 1HB GLN 63 -4.531 6.273 -12.837 443 HB3 GLN 63 2HB GLN 63 -6.044 6.127 -11.951 444 HG2 GLN 63 1HG GLN 63 -5.073 7.030 -9.981 445 HG3 GLN 63 2HG GLN 63 -3.452 6.942 -10.668 446 HE21 GLN 63 1HE2 GLN 63 -3.219 8.194 -12.770 447 HE22 GLN 63 2HE2 GLN 63 -3.930 9.768 -12.802 448 H LYS 64 H LYS 64 -2.713 5.351 -9.932 449 HA LYS 64 HA LYS 64 -0.534 5.063 -11.737 450 HB2 LYS 64 1HB LYS 64 -0.518 5.317 -8.724 451 HB3 LYS 64 2HB LYS 64 0.877 5.521 -9.775 452 HG2 LYS 64 1HG LYS 64 -0.205 7.445 -10.832 453 HG3 LYS 64 2HG LYS 64 -1.594 7.244 -9.761 454 HD2 LYS 64 1HD LYS 64 -0.048 7.541 -7.823 455 HD3 LYS 64 2HD LYS 64 1.237 7.924 -8.971 456 HE2 LYS 64 1HE LYS 64 0.268 9.966 -8.115 457 HE3 LYS 64 2HE LYS 64 -0.122 9.793 -9.826 458 HZ1 LYS 64 1HZ LYS 64 -1.884 10.170 -7.716 459 HZ2 LYS 64 2HZ LYS 64 -2.138 8.590 -8.263 460 HZ3 LYS 64 3HZ LYS 64 -2.266 9.887 -9.340 461 H GLY 65 H GLY 65 1.027 3.482 -11.888 462 HA2 GLY 65 1HA GLY 65 0.300 0.831 -11.511 463 HA3 GLY 65 2HA GLY 65 1.952 1.386 -11.741 464 H TYR 66 H TYR 66 -0.235 -0.034 -9.602 465 HA TYR 66 HA TYR 66 0.885 0.752 -7.123 466 HB2 TYR 66 1HB TYR 66 -0.413 -1.008 -6.153 467 HB3 TYR 66 2HB TYR 66 -1.374 -0.311 -7.453 468 HD1 TYR 66 2HD TYR 66 0.692 -3.215 -6.482 469 HD2 TYR 66 1HD TYR 66 -2.036 -1.617 -9.330 470 HE1 TYR 66 2HE TYR 66 0.430 -5.449 -7.477 471 HE2 TYR 66 1HE TYR 66 -2.306 -3.847 -10.332 472 HH TYR 66 HH TYR 66 -1.405 -6.648 -8.850 473 H PHE 67 H PHE 67 1.886 -0.921 -5.612 474 HA PHE 67 HA PHE 67 3.710 -2.747 -6.984 475 HB2 PHE 67 1HB PHE 67 4.499 -0.335 -5.412 476 HB3 PHE 67 2HB PHE 67 5.495 -1.781 -5.279 477 HD1 PHE 67 1HD PHE 67 3.882 0.307 -7.918 478 HD2 PHE 67 2HD PHE 67 7.261 -1.990 -6.724 479 HE1 PHE 67 1HE PHE 67 5.027 0.911 -10.010 480 HE2 PHE 67 2HE PHE 67 8.412 -1.389 -8.814 481 HZ PHE 67 HZ PHE 67 7.296 0.064 -10.460 482 H PHE 68 H PHE 68 4.991 -4.049 -5.320 483 HA PHE 68 HA PHE 68 3.543 -4.413 -2.807 484 HB2 PHE 68 1HB PHE 68 3.687 -6.375 -5.042 485 HB3 PHE 68 2HB PHE 68 3.835 -6.999 -3.402 486 HD1 PHE 68 2HD PHE 68 1.668 -4.802 -5.484 487 HD2 PHE 68 1HD PHE 68 1.930 -7.501 -2.203 488 HE1 PHE 68 2HE PHE 68 -0.781 -4.749 -5.249 489 HE2 PHE 68 1HE PHE 68 -0.518 -7.453 -1.963 490 HZ PHE 68 HZ PHE 68 -1.877 -6.075 -3.486 491 H VAL 69 H VAL 69 5.199 -3.932 -1.477 492 HA VAL 69 HA VAL 69 7.662 -5.528 -1.763 493 HB VAL 69 HB VAL 69 7.469 -2.707 -0.695 494 HG11 VAL 69 1HG1 VAL 69 9.778 -2.766 -0.330 495 HG12 VAL 69 2HG1 VAL 69 9.206 -4.319 0.283 496 HG13 VAL 69 3HG1 VAL 69 9.987 -4.225 -1.297 497 HG21 VAL 69 1HG2 VAL 69 8.095 -1.905 -2.707 498 HG22 VAL 69 2HG2 VAL 69 9.119 -3.296 -3.063 499 HG23 VAL 69 3HG2 VAL 69 7.375 -3.399 -3.306 500 H GLU 70 H GLU 70 7.784 -6.969 -0.182 501 HA GLU 70 HA GLU 70 7.657 -7.967 1.859 502 HB2 GLU 70 1HB GLU 70 7.810 -5.084 2.744 503 HB3 GLU 70 2HB GLU 70 7.864 -6.442 3.858 504 HG2 GLU 70 1HG GLU 70 9.782 -6.421 1.595 505 HG3 GLU 70 2HG GLU 70 10.054 -5.304 2.931 506 H GLY 71 H GLY 71 5.265 -7.819 0.575 507 HA2 GLY 71 1HA GLY 71 3.014 -8.067 0.949 508 HA3 GLY 71 2HA GLY 71 3.412 -8.195 2.655 509 H GLU 72 H GLU 72 4.095 -5.396 0.640 510 HA GLU 72 HA GLU 72 1.859 -3.935 1.819 511 HB2 GLU 72 1HB GLU 72 3.832 -3.663 3.336 512 HB3 GLU 72 2HB GLU 72 4.697 -2.915 2.001 513 HG2 GLU 72 1HG GLU 72 3.504 -0.986 2.118 514 HG3 GLU 72 2HG GLU 72 2.057 -1.786 2.728 515 H LEU 73 H LEU 73 1.283 -2.039 0.688 516 HA LEU 73 HA LEU 73 2.131 -2.068 -2.098 517 HB2 LEU 73 1HB LEU 73 -0.202 -1.051 -0.589 518 HB3 LEU 73 2HB LEU 73 0.254 -0.161 -2.040 519 HG LEU 73 HG LEU 73 -0.139 -3.122 -2.176 520 HD11 LEU 73 1HD1 LEU 73 -2.106 -1.748 -1.060 521 HD12 LEU 73 2HD1 LEU 73 -2.412 -3.030 -2.231 522 HD13 LEU 73 3HD1 LEU 73 -2.446 -1.343 -2.742 523 HD21 LEU 73 1HD2 LEU 73 -0.301 -2.792 -4.425 524 HD22 LEU 73 2HD2 LEU 73 0.744 -1.432 -4.013 525 HD23 LEU 73 3HD2 LEU 73 -0.985 -1.175 -4.253 526 H TYR 74 H TYR 74 2.734 -0.141 -3.224 527 HA TYR 74 HA TYR 74 3.399 2.234 -1.735 528 HB2 TYR 74 1HB TYR 74 5.550 0.389 -2.764 529 HB3 TYR 74 2HB TYR 74 5.840 2.100 -2.471 530 HD1 TYR 74 2HD TYR 74 5.461 2.993 -0.120 531 HD2 TYR 74 1HD TYR 74 5.643 -1.164 -1.006 532 HE1 TYR 74 2HE TYR 74 5.914 2.514 2.249 533 HE2 TYR 74 1HE TYR 74 6.096 -1.655 1.361 534 HH TYR 74 HH TYR 74 6.803 -0.676 3.342 535 H CYS 75 H CYS 75 4.102 3.981 -3.093 536 HA CYS 75 HA CYS 75 2.923 3.853 -5.716 537 HB2 CYS 75 1HB CYS 75 3.473 6.251 -5.833 538 HB3 CYS 75 2HB CYS 75 2.631 5.851 -4.340 539 H GLU 76 H GLU 76 3.989 4.353 -7.689 540 HA GLU 76 HA GLU 76 6.175 2.937 -8.367 541 HB2 GLU 76 1HB GLU 76 4.632 4.436 -9.821 542 HB3 GLU 76 2HB GLU 76 5.846 5.678 -9.549 543 HG2 GLU 76 1HG GLU 76 7.538 4.001 -10.425 544 HG3 GLU 76 2HG GLU 76 6.154 3.056 -10.970 545 H THR 77 H THR 77 6.207 6.197 -7.009 546 HA THR 77 HA THR 77 8.956 6.698 -7.255 547 HB THR 77 HB THR 77 7.065 7.717 -5.126 548 HG1 THR 77 1HG THR 77 6.273 8.841 -6.724 549 HG21 THR 77 1HG2 THR 77 8.850 9.692 -5.462 550 HG22 THR 77 2HG2 THR 77 9.887 8.305 -5.798 551 HG23 THR 77 3HG2 THR 77 9.042 8.421 -4.255 552 H HIS 78 H HIS 78 7.280 5.960 -4.195 553 HA HIS 78 HA HIS 78 9.579 5.281 -2.769 554 HB2 HIS 78 1HB HIS 78 6.664 4.683 -2.406 555 HB3 HIS 78 2HB HIS 78 7.849 3.932 -1.342 556 HD2 HIS 78 2HD HIS 78 9.729 6.313 -0.482 557 HE1 HIS 78 1HE HIS 78 6.199 8.546 0.260 558 HE2 HIS 78 2HE HIS 78 8.689 8.413 0.612 559 H ALA 79 H ALA 79 7.168 3.086 -4.218 560 HA ALA 79 HA ALA 79 8.257 0.659 -3.656 561 HB1 ALA 79 1HB ALA 79 6.645 -0.049 -5.005 562 HB2 ALA 79 2HB ALA 79 6.345 1.629 -5.458 563 HB3 ALA 79 3HB ALA 79 7.454 0.643 -6.412 564 H ARG 80 H ARG 80 9.063 2.597 -6.542 565 HA ARG 80 HA ARG 80 10.982 0.979 -7.656 566 HB2 ARG 80 1HB ARG 80 10.521 3.921 -7.635 567 HB3 ARG 80 2HB ARG 80 12.058 3.340 -8.260 568 HG2 ARG 80 1HG ARG 80 10.649 1.781 -9.729 569 HG3 ARG 80 2HG ARG 80 9.298 2.834 -9.301 570 HD2 ARG 80 1HD ARG 80 10.478 4.755 -10.197 571 HD3 ARG 80 2HD ARG 80 11.884 3.751 -10.553 572 HE ARG 80 HE ARG 80 9.367 3.820 -12.016 573 HH11 ARG 80 2HH1 ARG 80 12.478 2.333 -11.532 574 HH12 ARG 80 1HH1 ARG 80 12.500 1.567 -13.085 575 HH21 ARG 80 2HH2 ARG 80 9.384 2.816 -14.065 576 HH22 ARG 80 1HH2 ARG 80 10.739 1.843 -14.526 577 H ALA 81 H ALA 81 11.374 3.328 -5.040 578 HA ALA 81 HA ALA 81 14.170 3.147 -4.802 579 HB1 ALA 81 1HB ALA 81 13.650 4.872 -3.496 580 HB2 ALA 81 2HB ALA 81 11.984 4.322 -3.308 581 HB3 ALA 81 3HB ALA 81 13.245 3.690 -2.250 582 H ARG 82 H ARG 82 11.553 1.313 -3.283 583 HA ARG 82 HA ARG 82 13.267 -0.209 -1.587 584 HB2 ARG 82 1HB ARG 82 10.486 -0.940 -2.512 585 HB3 ARG 82 2HB ARG 82 11.316 -1.521 -1.075 586 HG2 ARG 82 1HG ARG 82 11.095 0.533 0.024 587 HG3 ARG 82 2HG ARG 82 10.702 1.386 -1.470 588 HD2 ARG 82 1HD ARG 82 8.626 1.192 -0.491 589 HD3 ARG 82 2HD ARG 82 8.662 -0.233 -1.529 590 HE ARG 82 HE ARG 82 8.450 -1.487 0.354 591 HH11 ARG 82 2HH1 ARG 82 9.966 1.526 1.218 592 HH12 ARG 82 1HH1 ARG 82 10.039 1.154 2.909 593 HH21 ARG 82 2HH2 ARG 82 8.541 -1.988 2.577 594 HH22 ARG 82 1HH2 ARG 82 9.229 -0.845 3.681 595 H THR 83 H THR 83 11.362 -1.175 -4.448 596 HA THR 83 HA THR 83 12.897 -3.597 -4.748 597 HB THR 83 HB THR 83 10.497 -3.574 -5.288 598 HG1 THR 83 1HG THR 83 12.449 -4.255 -7.179 599 HG21 THR 83 1HG2 THR 83 9.563 -1.981 -6.535 600 HG22 THR 83 2HG2 THR 83 10.644 -2.345 -7.880 601 HG23 THR 83 3HG2 THR 83 11.136 -1.193 -6.639 602 H SER 84 H SER 84 14.008 -0.744 -5.151 603 HA SER 84 HA SER 84 14.676 0.007 -7.616 604 HB2 SER 84 1HB SER 84 16.815 0.764 -6.812 605 HB3 SER 84 2HB SER 84 15.665 0.902 -5.482 606 HG SER 84 HG SER 84 16.895 -0.390 -4.394 607 H GLY 85 H GLY 85 16.050 -2.834 -6.002 608 HA2 GLY 85 1HA GLY 85 17.316 -3.599 -8.552 609 HA3 GLY 85 2HA GLY 85 17.801 -4.185 -6.968 610 HA PRO 86 HA PRO 86 13.696 -6.453 -8.252 611 HB2 PRO 86 1HB PRO 86 13.170 -6.427 -10.915 612 HB3 PRO 86 2HB PRO 86 12.532 -5.214 -9.798 613 HG2 PRO 86 1HG PRO 86 14.892 -5.046 -11.632 614 HG3 PRO 86 2HG PRO 86 13.639 -3.834 -11.307 615 HD2 PRO 86 1HD PRO 86 16.093 -3.735 -10.165 616 HD3 PRO 86 2HD PRO 86 14.632 -3.151 -9.342 617 H SER 87 H SER 87 15.078 -8.185 -7.723 618 HA SER 87 HA SER 87 17.090 -9.389 -8.985 619 HB2 SER 87 1HB SER 87 16.007 -10.291 -6.952 620 HB3 SER 87 2HB SER 87 14.683 -10.903 -7.942 621 HG SER 87 HG SER 87 16.298 -12.491 -7.490 622 H SER 88 H SER 88 13.693 -9.809 -9.928 623 HA SER 88 HA SER 88 14.271 -11.520 -12.129 624 HB2 SER 88 1HB SER 88 11.849 -10.016 -11.196 625 HB3 SER 88 2HB SER 88 11.857 -10.747 -12.801 626 HG SER 88 HG SER 88 12.613 -12.703 -11.542 627 H GLY 89 H GLY 89 14.371 -11.073 -14.318 628 HA2 GLY 89 1HA GLY 89 14.674 -9.831 -16.234 629 HA3 GLY 89 2HA GLY 89 13.962 -8.462 -15.393 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -16.860 29.088 50.100 2 HA2 GLY 1 1HA GLY 1 -17.025 29.136 47.288 3 HA3 GLY 1 2HA GLY 1 -15.349 29.376 47.760 4 H SER 2 H SER 2 -16.991 27.118 46.467 5 HA SER 2 HA SER 2 -15.637 24.985 47.920 6 HB2 SER 2 1HB SER 2 -18.607 24.923 47.333 7 HB3 SER 2 2HB SER 2 -17.663 23.569 47.956 8 HG SER 2 HG SER 2 -17.902 24.388 49.864 9 H SER 3 H SER 3 -15.333 23.072 46.684 10 HA SER 3 HA SER 3 -16.265 22.867 43.990 11 HB2 SER 3 1HB SER 3 -14.450 24.623 43.830 12 HB3 SER 3 2HB SER 3 -13.303 23.377 44.321 13 HG SER 3 HG SER 3 -13.239 22.969 42.258 14 H GLY 4 H GLY 4 -15.555 20.907 42.942 15 HA2 GLY 4 1HA GLY 4 -14.075 19.020 44.624 16 HA3 GLY 4 2HA GLY 4 -15.721 18.598 44.175 17 H SER 5 H SER 5 -13.718 16.911 43.480 18 HA SER 5 HA SER 5 -13.846 17.034 40.581 19 HB2 SER 5 1HB SER 5 -11.725 18.207 41.204 20 HB3 SER 5 2HB SER 5 -11.179 16.719 41.976 21 HG SER 5 HG SER 5 -10.777 15.879 40.081 22 H SER 6 H SER 6 -14.740 15.140 40.117 23 HA SER 6 HA SER 6 -13.846 12.757 41.600 24 HB2 SER 6 1HB SER 6 -15.978 11.794 41.289 25 HB3 SER 6 2HB SER 6 -16.313 13.479 41.686 26 HG SER 6 HG SER 6 -17.357 13.529 39.873 27 H GLY 7 H GLY 7 -14.344 10.690 40.159 28 HA2 GLY 7 1HA GLY 7 -13.936 10.933 37.353 29 HA3 GLY 7 2HA GLY 7 -12.422 10.574 38.171 30 H VAL 8 H VAL 8 -15.458 9.345 37.105 31 HA VAL 8 HA VAL 8 -14.567 6.638 37.789 32 HB VAL 8 HB VAL 8 -17.352 7.684 38.317 33 HG11 VAL 8 1HG1 VAL 8 -17.188 5.176 39.416 34 HG12 VAL 8 2HG1 VAL 8 -17.979 5.580 37.891 35 HG13 VAL 8 3HG1 VAL 8 -16.316 4.990 37.895 36 HG21 VAL 8 1HG2 VAL 8 -15.771 6.385 40.439 37 HG22 VAL 8 2HG2 VAL 8 -15.210 7.975 39.924 38 HG23 VAL 8 3HG2 VAL 8 -16.857 7.772 40.520 39 H ARG 9 H ARG 9 -14.278 5.762 35.839 40 HA ARG 9 HA ARG 9 -16.480 5.970 33.898 41 HB2 ARG 9 1HB ARG 9 -14.214 7.270 33.450 42 HB3 ARG 9 2HB ARG 9 -13.677 5.682 32.918 43 HG2 ARG 9 1HG ARG 9 -15.525 5.598 31.316 44 HG3 ARG 9 2HG ARG 9 -16.045 7.200 31.843 45 HD2 ARG 9 1HD ARG 9 -13.295 6.639 30.756 46 HD3 ARG 9 2HD ARG 9 -14.651 7.117 29.735 47 HE ARG 9 HE ARG 9 -14.461 8.980 31.790 48 HH11 ARG 9 2HH1 ARG 9 -12.565 7.879 29.085 49 HH12 ARG 9 1HH1 ARG 9 -11.785 9.407 28.843 50 HH21 ARG 9 2HH2 ARG 9 -13.440 10.997 31.481 51 HH22 ARG 9 1HH2 ARG 9 -12.283 11.179 30.207 52 H ALA 10 H ALA 10 -16.416 4.197 32.252 53 HA ALA 10 HA ALA 10 -15.077 1.759 33.115 54 HB1 ALA 10 1HB ALA 10 -16.893 1.119 34.271 55 HB2 ALA 10 2HB ALA 10 -17.952 2.260 33.442 56 HB3 ALA 10 3HB ALA 10 -17.541 0.724 32.679 57 HA PRO 11 HA PRO 11 -14.782 1.064 28.785 58 HB2 PRO 11 1HB PRO 11 -14.537 -1.639 28.747 59 HB3 PRO 11 2HB PRO 11 -13.242 -0.565 29.289 60 HG2 PRO 11 1HG PRO 11 -15.221 -2.116 30.914 61 HG3 PRO 11 2HG PRO 11 -13.482 -1.897 31.180 62 HD2 PRO 11 1HD PRO 11 -15.352 -0.485 32.536 63 HD3 PRO 11 2HD PRO 11 -13.761 0.186 32.125 64 H VAL 12 H VAL 12 -15.776 -0.191 26.986 65 HA VAL 12 HA VAL 12 -18.417 -1.295 27.544 66 HB VAL 12 HB VAL 12 -19.500 0.104 25.829 67 HG11 VAL 12 1HG1 VAL 12 -19.479 2.250 27.159 68 HG12 VAL 12 2HG1 VAL 12 -19.846 0.785 28.072 69 HG13 VAL 12 3HG1 VAL 12 -18.241 1.510 28.173 70 HG21 VAL 12 1HG2 VAL 12 -18.460 1.939 24.802 71 HG22 VAL 12 2HG2 VAL 12 -17.093 1.900 25.916 72 HG23 VAL 12 3HG2 VAL 12 -17.272 0.639 24.696 73 H THR 13 H THR 13 -19.373 -2.354 25.658 74 HA THR 13 HA THR 13 -17.372 -3.124 23.638 75 HB THR 13 HB THR 13 -17.555 -4.964 25.210 76 HG1 THR 13 1HG THR 13 -17.598 -5.288 22.794 77 HG21 THR 13 1HG2 THR 13 -20.301 -4.210 25.276 78 HG22 THR 13 2HG2 THR 13 -19.462 -5.396 26.276 79 HG23 THR 13 3HG2 THR 13 -20.198 -5.891 24.752 80 H LYS 14 H LYS 14 -18.048 -2.470 21.713 81 HA LYS 14 HA LYS 14 -20.876 -2.069 21.192 82 HB2 LYS 14 1HB LYS 14 -18.347 -1.400 19.716 83 HB3 LYS 14 2HB LYS 14 -19.906 -1.310 18.907 84 HG2 LYS 14 1HG LYS 14 -20.676 0.268 20.644 85 HG3 LYS 14 2HG LYS 14 -19.060 0.227 21.354 86 HD2 LYS 14 1HD LYS 14 -19.423 0.910 18.462 87 HD3 LYS 14 2HD LYS 14 -19.685 2.135 19.706 88 HE2 LYS 14 1HE LYS 14 -17.427 1.774 20.549 89 HE3 LYS 14 2HE LYS 14 -17.165 0.514 19.344 90 HZ1 LYS 14 1HZ LYS 14 -17.481 3.423 18.908 91 HZ2 LYS 14 2HZ LYS 14 -17.654 2.307 17.649 92 HZ3 LYS 14 3HZ LYS 14 -16.181 2.432 18.471 93 H VAL 15 H VAL 15 -22.053 -3.758 20.580 94 HA VAL 15 HA VAL 15 -20.807 -5.861 18.954 95 HB VAL 15 HB VAL 15 -23.416 -5.888 20.479 96 HG11 VAL 15 1HG1 VAL 15 -22.105 -7.870 18.665 97 HG12 VAL 15 2HG1 VAL 15 -23.113 -8.425 20.003 98 HG13 VAL 15 3HG1 VAL 15 -23.797 -7.382 18.756 99 HG21 VAL 15 1HG2 VAL 15 -21.192 -5.904 21.753 100 HG22 VAL 15 2HG2 VAL 15 -22.355 -7.178 22.118 101 HG23 VAL 15 3HG2 VAL 15 -20.969 -7.519 21.081 102 H HIS 16 H HIS 16 -21.560 -6.413 16.957 103 HA HIS 16 HA HIS 16 -22.711 -4.534 15.310 104 HB2 HIS 16 1HB HIS 16 -21.527 -6.502 14.464 105 HB3 HIS 16 2HB HIS 16 -22.831 -7.544 15.025 106 HD1 HIS 16 1HD HIS 16 -22.580 -4.502 12.737 107 HD2 HIS 16 2HD HIS 16 -24.482 -8.187 12.997 108 HE1 HIS 16 1HE HIS 16 -23.949 -4.702 10.637 109 HE2 HIS 16 2HE HIS 16 -25.157 -6.901 10.856 110 H GLY 17 H GLY 17 -24.398 -7.455 16.493 111 HA2 GLY 17 1HA GLY 17 -26.651 -6.412 17.552 112 HA3 GLY 17 2HA GLY 17 -26.962 -6.291 15.826 113 H GLY 18 H GLY 18 -26.993 -8.257 14.567 114 HA2 GLY 18 1HA GLY 18 -26.806 -10.833 15.673 115 HA3 GLY 18 2HA GLY 18 -28.480 -10.309 15.779 116 H ALA 19 H ALA 19 -25.832 -10.331 13.388 117 HA ALA 19 HA ALA 19 -27.793 -10.784 11.269 118 HB1 ALA 19 1HB ALA 19 -26.368 -9.166 10.506 119 HB2 ALA 19 2HB ALA 19 -24.973 -9.839 11.348 120 HB3 ALA 19 3HB ALA 19 -25.567 -10.605 9.875 121 H GLY 20 H GLY 20 -28.345 -12.848 10.967 122 HA2 GLY 20 1HA GLY 20 -26.695 -15.049 11.699 123 HA3 GLY 20 2HA GLY 20 -28.190 -15.136 10.779 124 H SER 21 H SER 21 -28.054 -14.588 8.461 125 HA SER 21 HA SER 21 -25.483 -15.507 7.360 126 HB2 SER 21 1HB SER 21 -27.257 -17.044 6.824 127 HB3 SER 21 2HB SER 21 -28.297 -15.732 6.271 128 HG SER 21 HG SER 21 -26.717 -17.146 4.794 129 H ALA 22 H ALA 22 -24.359 -14.226 6.033 130 HA ALA 22 HA ALA 22 -25.689 -11.831 4.948 131 HB1 ALA 22 1HB ALA 22 -23.183 -10.927 5.208 132 HB2 ALA 22 2HB ALA 22 -24.408 -10.747 6.465 133 HB3 ALA 22 3HB ALA 22 -23.227 -12.053 6.565 134 H GLN 23 H GLN 23 -24.116 -10.789 3.236 135 HA GLN 23 HA GLN 23 -23.737 -12.813 1.214 136 HB2 GLN 23 1HB GLN 23 -23.537 -9.812 1.238 137 HB3 GLN 23 2HB GLN 23 -23.009 -10.752 -0.151 138 HG2 GLN 23 1HG GLN 23 -25.143 -10.293 -0.778 139 HG3 GLN 23 2HG GLN 23 -25.404 -11.812 0.077 140 HE21 GLN 23 1HE2 GLN 23 -26.580 -11.831 1.930 141 HE22 GLN 23 2HE2 GLN 23 -27.388 -10.445 2.570 142 H ARG 24 H ARG 24 -21.810 -13.328 0.171 143 HA ARG 24 HA ARG 24 -19.463 -13.152 1.830 144 HB2 ARG 24 1HB ARG 24 -18.418 -14.562 0.084 145 HB3 ARG 24 2HB ARG 24 -19.928 -15.233 0.686 146 HG2 ARG 24 1HG ARG 24 -20.899 -13.894 -1.393 147 HG3 ARG 24 2HG ARG 24 -19.258 -14.156 -1.987 148 HD2 ARG 24 1HD ARG 24 -20.229 -16.072 -2.744 149 HD3 ARG 24 2HD ARG 24 -19.741 -16.618 -1.140 150 HE ARG 24 HE ARG 24 -21.959 -16.687 -0.508 151 HH11 ARG 24 2HH1 ARG 24 -21.643 -15.149 -3.615 152 HH12 ARG 24 1HH1 ARG 24 -23.343 -15.178 -3.949 153 HH21 ARG 24 2HH2 ARG 24 -24.199 -16.732 -0.936 154 HH22 ARG 24 1HH2 ARG 24 -24.796 -16.078 -2.424 155 H MET 25 H MET 25 -17.993 -11.596 1.739 156 HA MET 25 HA MET 25 -17.263 -10.399 -0.800 157 HB2 MET 25 1HB MET 25 -17.752 -8.162 -0.248 158 HB3 MET 25 2HB MET 25 -19.200 -9.061 0.186 159 HG2 MET 25 1HG MET 25 -17.050 -8.193 2.105 160 HG3 MET 25 2HG MET 25 -18.595 -7.381 1.861 161 HE1 MET 25 1HE MET 25 -17.807 -10.206 5.052 162 HE2 MET 25 2HE MET 25 -16.630 -9.567 3.905 163 HE3 MET 25 3HE MET 25 -17.621 -8.463 4.859 164 HA PRO 26 HA PRO 26 -13.274 -10.313 1.031 165 HB2 PRO 26 1HB PRO 26 -12.143 -8.225 -0.286 166 HB3 PRO 26 2HB PRO 26 -12.463 -9.786 -1.053 167 HG2 PRO 26 1HG PRO 26 -14.054 -7.253 -1.176 168 HG3 PRO 26 2HG PRO 26 -13.646 -8.382 -2.481 169 HD2 PRO 26 1HD PRO 26 -16.064 -8.376 -1.263 170 HD3 PRO 26 2HD PRO 26 -15.319 -9.857 -1.899 171 H LEU 27 H LEU 27 -12.059 -9.297 2.612 172 HA LEU 27 HA LEU 27 -13.339 -6.974 3.867 173 HB2 LEU 27 1HB LEU 27 -12.678 -9.313 4.984 174 HB3 LEU 27 2HB LEU 27 -11.166 -8.445 5.238 175 HG LEU 27 HG LEU 27 -12.506 -8.258 7.214 176 HD11 LEU 27 1HD1 LEU 27 -11.458 -6.116 5.843 177 HD12 LEU 27 2HD1 LEU 27 -11.976 -6.116 7.528 178 HD13 LEU 27 3HD1 LEU 27 -13.080 -5.569 6.267 179 HD21 LEU 27 1HD2 LEU 27 -14.680 -8.683 6.011 180 HD22 LEU 27 2HD2 LEU 27 -14.675 -6.976 5.566 181 HD23 LEU 27 3HD2 LEU 27 -14.732 -7.445 7.266 182 H CYS 28 H CYS 28 -12.454 -5.056 3.532 183 HA CYS 28 HA CYS 28 -10.110 -4.537 2.171 184 HB2 CYS 28 1HB CYS 28 -11.928 -2.888 2.644 185 HB3 CYS 28 2HB CYS 28 -11.329 -2.762 4.295 186 H ASP 29 H ASP 29 -8.027 -4.709 2.649 187 HA ASP 29 HA ASP 29 -7.215 -5.462 5.317 188 HB2 ASP 29 1HB ASP 29 -6.304 -6.340 3.030 189 HB3 ASP 29 2HB ASP 29 -5.292 -4.900 3.085 190 H LYS 30 H LYS 30 -7.915 -2.579 4.015 191 HA LYS 30 HA LYS 30 -5.671 -1.128 5.211 192 HB2 LYS 30 1HB LYS 30 -6.359 -0.476 2.946 193 HB3 LYS 30 2HB LYS 30 -7.981 -0.130 3.532 194 HG2 LYS 30 1HG LYS 30 -7.191 1.973 3.617 195 HG3 LYS 30 2HG LYS 30 -6.567 1.443 5.180 196 HD2 LYS 30 1HD LYS 30 -4.435 0.829 4.053 197 HD3 LYS 30 2HD LYS 30 -5.071 1.527 2.561 198 HE2 LYS 30 1HE LYS 30 -4.723 3.019 5.160 199 HE3 LYS 30 2HE LYS 30 -3.591 3.069 3.809 200 HZ1 LYS 30 1HZ LYS 30 -4.842 4.895 3.354 201 HZ2 LYS 30 2HZ LYS 30 -6.249 4.267 4.053 202 HZ3 LYS 30 3HZ LYS 30 -5.759 3.744 2.520 203 H CYS 31 H CYS 31 -9.237 -1.033 5.241 204 HA CYS 31 HA CYS 31 -9.084 0.076 7.967 205 HB2 CYS 31 1HB CYS 31 -11.207 1.190 7.553 206 HB3 CYS 31 2HB CYS 31 -10.041 1.649 6.316 207 H GLY 32 H GLY 32 -9.302 -2.762 6.777 208 HA2 GLY 32 1HA GLY 32 -10.596 -4.671 7.083 209 HA3 GLY 32 2HA GLY 32 -10.464 -4.139 8.753 210 H SER 33 H SER 33 -12.307 -2.867 5.987 211 HA SER 33 HA SER 33 -14.756 -3.236 7.586 212 HB2 SER 33 1HB SER 33 -14.014 -0.935 5.766 213 HB3 SER 33 2HB SER 33 -15.630 -1.183 6.428 214 HG SER 33 HG SER 33 -14.063 0.246 7.606 215 H GLY 34 H GLY 34 -16.196 -4.545 6.685 216 HA2 GLY 34 1HA GLY 34 -16.027 -6.051 4.494 217 HA3 GLY 34 2HA GLY 34 -17.576 -5.406 5.016 218 H ILE 35 H ILE 35 -16.159 -5.938 2.325 219 HA ILE 35 HA ILE 35 -16.538 -3.264 1.159 220 HB ILE 35 HB ILE 35 -15.153 -5.656 -0.060 221 HG12 ILE 35 1HG1 ILE 35 -13.802 -3.134 0.864 222 HG13 ILE 35 2HG1 ILE 35 -14.092 -4.458 1.987 223 HG21 ILE 35 1HG2 ILE 35 -15.018 -4.521 -1.973 224 HG22 ILE 35 2HG2 ILE 35 -16.249 -3.450 -1.307 225 HG23 ILE 35 3HG2 ILE 35 -14.542 -3.037 -1.150 226 HD11 ILE 35 1HD1 ILE 35 -12.855 -5.945 0.397 227 HD12 ILE 35 2HD1 ILE 35 -12.411 -4.492 -0.499 228 HD13 ILE 35 3HD1 ILE 35 -11.886 -4.692 1.172 229 H VAL 36 H VAL 36 -18.258 -2.887 -0.071 230 HA VAL 36 HA VAL 36 -19.464 -4.977 -1.664 231 HB VAL 36 HB VAL 36 -20.675 -5.447 0.318 232 HG11 VAL 36 1HG1 VAL 36 -20.296 -3.698 1.785 233 HG12 VAL 36 2HG1 VAL 36 -20.792 -2.473 0.616 234 HG13 VAL 36 3HG1 VAL 36 -22.003 -3.492 1.395 235 HG21 VAL 36 1HG2 VAL 36 -22.371 -5.602 -1.145 236 HG22 VAL 36 2HG2 VAL 36 -22.964 -4.138 -0.362 237 HG23 VAL 36 3HG2 VAL 36 -22.034 -4.024 -1.856 238 H GLY 37 H GLY 37 -19.758 -4.040 -3.571 239 HA2 GLY 37 1HA GLY 37 -21.207 -2.445 -4.781 240 HA3 GLY 37 2HA GLY 37 -20.694 -1.236 -3.613 241 H ALA 38 H ALA 38 -18.011 -1.535 -3.499 242 HA ALA 38 HA ALA 38 -16.922 -1.593 -6.187 243 HB1 ALA 38 1HB ALA 38 -16.744 0.593 -6.550 244 HB2 ALA 38 2HB ALA 38 -17.825 0.834 -5.177 245 HB3 ALA 38 3HB ALA 38 -16.078 0.873 -4.941 246 H VAL 39 H VAL 39 -14.999 -2.540 -6.099 247 HA VAL 39 HA VAL 39 -13.288 -2.106 -3.755 248 HB VAL 39 HB VAL 39 -14.666 -4.376 -3.834 249 HG11 VAL 39 1HG1 VAL 39 -13.762 -6.103 -5.048 250 HG12 VAL 39 2HG1 VAL 39 -13.512 -4.756 -6.159 251 HG13 VAL 39 3HG1 VAL 39 -12.178 -5.339 -5.163 252 HG21 VAL 39 1HG2 VAL 39 -12.945 -3.585 -2.168 253 HG22 VAL 39 2HG2 VAL 39 -13.046 -5.332 -2.389 254 HG23 VAL 39 3HG2 VAL 39 -11.736 -4.422 -3.142 255 H VAL 40 H VAL 40 -11.029 -2.787 -4.138 256 HA VAL 40 HA VAL 40 -10.284 -2.807 -6.981 257 HB VAL 40 HB VAL 40 -9.035 -1.038 -4.874 258 HG11 VAL 40 1HG1 VAL 40 -7.451 -0.348 -6.465 259 HG12 VAL 40 2HG1 VAL 40 -7.486 -2.107 -6.593 260 HG13 VAL 40 3HG1 VAL 40 -8.322 -1.118 -7.791 261 HG21 VAL 40 1HG2 VAL 40 -9.755 0.741 -6.582 262 HG22 VAL 40 2HG2 VAL 40 -10.831 -0.504 -7.216 263 HG23 VAL 40 3HG2 VAL 40 -10.996 0.037 -5.546 264 H LYS 41 H LYS 41 -9.494 -4.834 -7.108 265 HA LYS 41 HA LYS 41 -7.531 -5.692 -5.094 266 HB2 LYS 41 1HB LYS 41 -9.028 -7.421 -5.123 267 HB3 LYS 41 2HB LYS 41 -9.505 -7.123 -6.789 268 HG2 LYS 41 1HG LYS 41 -7.123 -7.990 -7.351 269 HG3 LYS 41 2HG LYS 41 -7.197 -8.692 -5.733 270 HD2 LYS 41 1HD LYS 41 -9.302 -9.821 -6.351 271 HD3 LYS 41 2HD LYS 41 -9.154 -9.164 -7.983 272 HE2 LYS 41 1HE LYS 41 -6.932 -10.770 -6.781 273 HE3 LYS 41 2HE LYS 41 -8.327 -11.575 -7.497 274 HZ1 LYS 41 1HZ LYS 41 -6.232 -9.988 -8.789 275 HZ2 LYS 41 2HZ LYS 41 -7.782 -9.955 -9.463 276 HZ3 LYS 41 3HZ LYS 41 -6.963 -11.426 -9.297 277 H ALA 42 H ALA 42 -5.453 -5.759 -5.628 278 HA ALA 42 HA ALA 42 -4.626 -5.159 -8.322 279 HB1 ALA 42 1HB ALA 42 -3.290 -4.090 -6.768 280 HB2 ALA 42 2HB ALA 42 -3.214 -5.499 -5.709 281 HB3 ALA 42 3HB ALA 42 -2.300 -5.480 -7.217 282 H ARG 43 H ARG 43 -3.170 -7.599 -6.206 283 HA ARG 43 HA ARG 43 -3.058 -9.419 -8.502 284 HB2 ARG 43 1HB ARG 43 -1.040 -8.679 -6.939 285 HB3 ARG 43 2HB ARG 43 -1.636 -10.004 -5.948 286 HG2 ARG 43 1HG ARG 43 -1.182 -11.596 -7.592 287 HG3 ARG 43 2HG ARG 43 -1.057 -10.379 -8.863 288 HD2 ARG 43 1HD ARG 43 0.976 -9.498 -7.753 289 HD3 ARG 43 2HD ARG 43 0.868 -10.813 -6.583 290 HE ARG 43 HE ARG 43 1.497 -11.091 -9.438 291 HH11 ARG 43 2HH1 ARG 43 1.304 -12.427 -6.229 292 HH12 ARG 43 1HH1 ARG 43 2.199 -13.855 -6.629 293 HH21 ARG 43 2HH2 ARG 43 2.678 -12.967 -9.977 294 HH22 ARG 43 1HH2 ARG 43 2.981 -14.161 -8.761 295 H ASP 44 H ASP 44 -3.096 -10.131 -5.029 296 HA ASP 44 HA ASP 44 -5.381 -11.929 -5.511 297 HB2 ASP 44 1HB ASP 44 -4.434 -13.227 -3.521 298 HB3 ASP 44 2HB ASP 44 -3.544 -13.335 -5.038 299 H LYS 45 H LYS 45 -4.019 -9.422 -3.559 300 HA LYS 45 HA LYS 45 -6.000 -9.666 -1.462 301 HB2 LYS 45 1HB LYS 45 -3.642 -7.917 -1.984 302 HB3 LYS 45 2HB LYS 45 -4.889 -7.321 -0.896 303 HG2 LYS 45 1HG LYS 45 -4.573 -9.725 0.176 304 HG3 LYS 45 2HG LYS 45 -2.974 -9.554 -0.551 305 HD2 LYS 45 1HD LYS 45 -4.238 -7.501 1.259 306 HD3 LYS 45 2HD LYS 45 -3.122 -8.753 1.810 307 HE2 LYS 45 1HE LYS 45 -2.306 -7.006 -0.460 308 HE3 LYS 45 2HE LYS 45 -2.276 -6.338 1.171 309 HZ1 LYS 45 1HZ LYS 45 -0.394 -7.404 1.571 310 HZ2 LYS 45 2HZ LYS 45 -0.363 -7.945 -0.032 311 HZ3 LYS 45 3HZ LYS 45 -1.085 -8.895 1.168 312 H TYR 46 H TYR 46 -7.269 -7.680 -0.840 313 HA TYR 46 HA TYR 46 -8.204 -6.222 -3.220 314 HB2 TYR 46 1HB TYR 46 -9.964 -7.367 -1.043 315 HB3 TYR 46 2HB TYR 46 -10.511 -6.424 -2.424 316 HD1 TYR 46 1HD TYR 46 -8.430 -9.472 -1.792 317 HD2 TYR 46 2HD TYR 46 -11.438 -7.615 -4.161 318 HE1 TYR 46 1HE TYR 46 -8.668 -11.540 -3.101 319 HE2 TYR 46 2HE TYR 46 -11.684 -9.679 -5.476 320 HH TYR 46 HH TYR 46 -10.750 -12.563 -4.565 321 H ARG 47 H ARG 47 -8.898 -4.112 -2.894 322 HA ARG 47 HA ARG 47 -8.814 -3.006 -0.200 323 HB2 ARG 47 1HB ARG 47 -7.061 -1.970 -2.436 324 HB3 ARG 47 2HB ARG 47 -7.271 -1.202 -0.868 325 HG2 ARG 47 1HG ARG 47 -6.364 -4.026 -0.917 326 HG3 ARG 47 2HG ARG 47 -5.218 -2.773 -1.397 327 HD2 ARG 47 1HD ARG 47 -5.750 -1.589 0.743 328 HD3 ARG 47 2HD ARG 47 -6.698 -2.998 1.218 329 HE ARG 47 HE ARG 47 -4.717 -4.234 1.436 330 HH11 ARG 47 2HH1 ARG 47 -4.125 -0.952 0.438 331 HH12 ARG 47 1HH1 ARG 47 -2.439 -0.997 0.835 332 HH21 ARG 47 2HH2 ARG 47 -2.499 -4.306 1.963 333 HH22 ARG 47 1HH2 ARG 47 -1.515 -2.906 1.701 334 H HIS 48 H HIS 48 -10.037 -1.162 0.057 335 HA HIS 48 HA HIS 48 -12.198 -0.750 -1.637 336 HB2 HIS 48 1HB HIS 48 -10.986 0.781 0.616 337 HB3 HIS 48 2HB HIS 48 -12.191 1.594 -0.379 338 HD2 HIS 48 2HD HIS 48 -14.355 -0.815 -0.700 339 HE1 HIS 48 1HE HIS 48 -14.283 -0.929 3.540 340 HE2 HIS 48 2HE HIS 48 -15.499 -1.660 1.460 341 HA PRO 49 HA PRO 49 -10.906 1.906 -4.879 342 HB2 PRO 49 1HB PRO 49 -12.954 3.678 -5.068 343 HB3 PRO 49 2HB PRO 49 -13.095 1.990 -5.571 344 HG2 PRO 49 1HG PRO 49 -13.987 3.288 -3.026 345 HG3 PRO 49 2HG PRO 49 -14.836 2.101 -4.033 346 HD2 PRO 49 1HD PRO 49 -13.525 1.415 -1.765 347 HD3 PRO 49 2HD PRO 49 -13.650 0.327 -3.162 348 H GLU 50 H GLU 50 -11.315 3.141 -1.732 349 HA GLU 50 HA GLU 50 -9.945 5.639 -2.488 350 HB2 GLU 50 1HB GLU 50 -10.999 6.764 -0.677 351 HB3 GLU 50 2HB GLU 50 -12.264 5.887 -1.527 352 HG2 GLU 50 1HG GLU 50 -11.846 4.042 0.225 353 HG3 GLU 50 2HG GLU 50 -11.039 5.315 1.138 354 H CYS 51 H CYS 51 -9.934 2.809 -0.503 355 HA CYS 51 HA CYS 51 -7.936 3.703 1.341 356 HB2 CYS 51 1HB CYS 51 -9.026 0.970 0.662 357 HB3 CYS 51 2HB CYS 51 -7.785 1.229 1.884 358 H PHE 52 H PHE 52 -7.942 1.903 -1.683 359 HA PHE 52 HA PHE 52 -5.366 0.912 -1.715 360 HB2 PHE 52 1HB PHE 52 -7.347 0.791 -3.468 361 HB3 PHE 52 2HB PHE 52 -6.456 2.108 -4.225 362 HD1 PHE 52 2HD PHE 52 -5.351 -1.011 -2.506 363 HD2 PHE 52 1HD PHE 52 -5.363 1.306 -6.077 364 HE1 PHE 52 2HE PHE 52 -3.848 -2.644 -3.567 365 HE2 PHE 52 1HE PHE 52 -3.860 -0.324 -7.143 366 HZ PHE 52 HZ PHE 52 -3.099 -2.302 -5.888 367 H VAL 53 H VAL 53 -3.692 2.115 -1.012 368 HA VAL 53 HA VAL 53 -2.724 4.225 -2.699 369 HB VAL 53 HB VAL 53 -2.606 5.975 -1.020 370 HG11 VAL 53 1HG1 VAL 53 -5.434 4.950 -1.239 371 HG12 VAL 53 2HG1 VAL 53 -4.929 6.619 -0.965 372 HG13 VAL 53 3HG1 VAL 53 -4.582 5.833 -2.506 373 HG21 VAL 53 1HG2 VAL 53 -3.891 3.909 0.730 374 HG22 VAL 53 2HG2 VAL 53 -2.461 4.893 1.040 375 HG23 VAL 53 3HG2 VAL 53 -4.064 5.630 1.075 376 H CYS 54 H CYS 54 -0.674 5.227 -1.618 377 HA CYS 54 HA CYS 54 1.103 3.083 -1.086 378 HB2 CYS 54 1HB CYS 54 1.679 5.276 -2.213 379 HB3 CYS 54 2HB CYS 54 1.648 6.016 -0.616 380 H ALA 55 H ALA 55 2.648 3.169 0.824 381 HA ALA 55 HA ALA 55 1.059 3.488 3.279 382 HB1 ALA 55 1HB ALA 55 1.732 1.223 2.967 383 HB2 ALA 55 2HB ALA 55 3.402 1.700 2.658 384 HB3 ALA 55 3HB ALA 55 2.713 1.894 4.270 385 H ASP 56 H ASP 56 3.544 4.912 1.556 386 HA ASP 56 HA ASP 56 4.793 6.019 3.978 387 HB2 ASP 56 1HB ASP 56 6.160 4.875 2.082 388 HB3 ASP 56 2HB ASP 56 5.892 6.380 1.207 389 H CYS 57 H CYS 57 3.270 6.875 0.916 390 HA CYS 57 HA CYS 57 3.054 9.653 1.877 391 HB2 CYS 57 1HB CYS 57 2.875 10.297 -0.530 392 HB3 CYS 57 2HB CYS 57 4.433 9.598 -0.099 393 H ASN 58 H ASN 58 1.389 6.830 1.000 394 HA ASN 58 HA ASN 58 -0.819 6.295 0.899 395 HB2 ASN 58 1HB ASN 58 -0.708 8.025 2.914 396 HB3 ASN 58 2HB ASN 58 -1.663 9.008 1.807 397 HD21 ASN 58 1HD2 ASN 58 -1.528 5.932 3.491 398 HD22 ASN 58 2HD2 ASN 58 -3.232 5.651 3.501 399 H LEU 59 H LEU 59 0.395 7.275 -1.426 400 HA LEU 59 HA LEU 59 -1.453 9.129 -2.673 401 HB2 LEU 59 1HB LEU 59 0.942 9.267 -3.151 402 HB3 LEU 59 2HB LEU 59 0.905 7.632 -3.807 403 HG LEU 59 HG LEU 59 -0.693 8.497 -5.558 404 HD11 LEU 59 1HD1 LEU 59 -0.994 10.786 -5.893 405 HD12 LEU 59 2HD1 LEU 59 0.309 11.215 -4.786 406 HD13 LEU 59 3HD1 LEU 59 -1.208 10.575 -4.155 407 HD21 LEU 59 1HD2 LEU 59 1.888 9.984 -5.743 408 HD22 LEU 59 2HD2 LEU 59 1.034 9.053 -6.974 409 HD23 LEU 59 3HD2 LEU 59 1.901 8.222 -5.681 410 H ASN 60 H ASN 60 -2.710 8.647 -4.522 411 HA ASN 60 HA ASN 60 -4.071 6.178 -4.408 412 HB2 ASN 60 1HB ASN 60 -4.085 8.477 -6.347 413 HB3 ASN 60 2HB ASN 60 -5.009 7.014 -6.680 414 HD21 ASN 60 1HD2 ASN 60 -6.486 6.309 -4.920 415 HD22 ASN 60 2HD2 ASN 60 -7.334 7.538 -4.051 416 H LEU 61 H LEU 61 -3.379 4.273 -5.098 417 HA LEU 61 HA LEU 61 -1.393 4.168 -7.254 418 HB2 LEU 61 1HB LEU 61 -2.236 1.957 -5.392 419 HB3 LEU 61 2HB LEU 61 -0.848 1.964 -6.479 420 HG LEU 61 HG LEU 61 -1.180 3.701 -4.032 421 HD11 LEU 61 1HD1 LEU 61 -0.106 2.154 -2.835 422 HD12 LEU 61 2HD1 LEU 61 1.032 1.805 -4.136 423 HD13 LEU 61 3HD1 LEU 61 -0.554 1.034 -4.122 424 HD21 LEU 61 1HD2 LEU 61 1.170 3.368 -5.895 425 HD22 LEU 61 2HD2 LEU 61 1.127 4.355 -4.433 426 HD23 LEU 61 3HD2 LEU 61 0.115 4.780 -5.815 427 H LYS 62 H LYS 62 -4.674 3.766 -6.721 428 HA LYS 62 HA LYS 62 -5.628 1.622 -7.992 429 HB2 LYS 62 1HB LYS 62 -7.243 3.178 -7.360 430 HB3 LYS 62 2HB LYS 62 -6.448 4.497 -8.209 431 HG2 LYS 62 1HG LYS 62 -8.258 4.123 -9.558 432 HG3 LYS 62 2HG LYS 62 -7.042 3.106 -10.335 433 HD2 LYS 62 1HD LYS 62 -7.920 1.186 -8.978 434 HD3 LYS 62 2HD LYS 62 -9.237 2.239 -8.459 435 HE2 LYS 62 1HE LYS 62 -8.700 1.985 -11.373 436 HE3 LYS 62 2HE LYS 62 -9.473 0.632 -10.549 437 HZ1 LYS 62 1HZ LYS 62 -10.819 2.844 -9.665 438 HZ2 LYS 62 2HZ LYS 62 -11.364 1.735 -10.820 439 HZ3 LYS 62 3HZ LYS 62 -10.575 3.149 -11.311 440 H GLN 63 H GLN 63 -5.012 4.549 -9.933 441 HA GLN 63 HA GLN 63 -4.741 2.937 -12.318 442 HB2 GLN 63 1HB GLN 63 -4.207 5.325 -13.277 443 HB3 GLN 63 2HB GLN 63 -5.853 4.882 -12.844 444 HG2 GLN 63 1HG GLN 63 -4.172 6.151 -10.759 445 HG3 GLN 63 2HG GLN 63 -4.756 7.161 -12.081 446 HE21 GLN 63 1HE2 GLN 63 -7.147 6.857 -12.553 447 HE22 GLN 63 2HE2 GLN 63 -8.194 6.793 -11.180 448 H LYS 64 H LYS 64 -2.682 4.959 -10.280 449 HA LYS 64 HA LYS 64 -0.364 4.852 -11.864 450 HB2 LYS 64 1HB LYS 64 -0.610 5.116 -8.861 451 HB3 LYS 64 2HB LYS 64 0.839 5.463 -9.795 452 HG2 LYS 64 1HG LYS 64 -0.384 7.235 -10.989 453 HG3 LYS 64 2HG LYS 64 -1.795 6.911 -9.979 454 HD2 LYS 64 1HD LYS 64 -0.595 7.557 -7.999 455 HD3 LYS 64 2HD LYS 64 0.911 7.704 -8.908 456 HE2 LYS 64 1HE LYS 64 0.341 9.715 -9.783 457 HE3 LYS 64 2HE LYS 64 -1.372 9.308 -9.881 458 HZ1 LYS 64 1HZ LYS 64 0.035 10.719 -7.843 459 HZ2 LYS 64 2HZ LYS 64 -0.828 9.415 -7.200 460 HZ3 LYS 64 3HZ LYS 64 -1.631 10.595 -8.107 461 H GLY 65 H GLY 65 1.384 3.477 -11.906 462 HA2 GLY 65 1HA GLY 65 1.013 0.766 -11.620 463 HA3 GLY 65 2HA GLY 65 2.590 1.541 -11.615 464 H TYR 66 H TYR 66 0.378 -0.253 -9.825 465 HA TYR 66 HA TYR 66 1.232 0.598 -7.211 466 HB2 TYR 66 1HB TYR 66 -0.236 -1.068 -6.357 467 HB3 TYR 66 2HB TYR 66 -1.043 -0.374 -7.758 468 HD1 TYR 66 2HD TYR 66 0.712 -3.336 -6.463 469 HD2 TYR 66 1HD TYR 66 -1.470 -1.689 -9.723 470 HE1 TYR 66 2HE TYR 66 0.464 -5.586 -7.426 471 HE2 TYR 66 1HE TYR 66 -1.726 -3.934 -10.695 472 HH TYR 66 HH TYR 66 -0.698 -6.811 -8.966 473 H PHE 67 H PHE 67 2.239 -0.879 -5.658 474 HA PHE 67 HA PHE 67 3.963 -2.917 -6.870 475 HB2 PHE 67 1HB PHE 67 4.830 -0.478 -5.370 476 HB3 PHE 67 2HB PHE 67 5.762 -1.961 -5.198 477 HD1 PHE 67 1HD PHE 67 4.225 0.070 -7.928 478 HD2 PHE 67 2HD PHE 67 7.559 -2.214 -6.592 479 HE1 PHE 67 1HE PHE 67 5.408 0.578 -10.024 480 HE2 PHE 67 2HE PHE 67 8.748 -1.709 -8.686 481 HZ PHE 67 HZ PHE 67 7.673 -0.310 -10.405 482 H PHE 68 H PHE 68 4.823 -4.457 -5.352 483 HA PHE 68 HA PHE 68 3.350 -4.550 -2.803 484 HB2 PHE 68 1HB PHE 68 3.594 -6.596 -4.947 485 HB3 PHE 68 2HB PHE 68 3.644 -7.167 -3.283 486 HD1 PHE 68 1HD PHE 68 1.742 -6.115 -1.744 487 HD2 PHE 68 2HD PHE 68 1.552 -6.501 -5.978 488 HE1 PHE 68 1HE PHE 68 -0.714 -6.025 -1.638 489 HE2 PHE 68 2HE PHE 68 -0.905 -6.410 -5.880 490 HZ PHE 68 HZ PHE 68 -2.041 -6.171 -3.708 491 H VAL 69 H VAL 69 4.919 -4.043 -1.381 492 HA VAL 69 HA VAL 69 7.401 -5.633 -1.477 493 HB VAL 69 HB VAL 69 7.031 -2.830 -0.411 494 HG11 VAL 69 1HG1 VAL 69 8.652 -4.446 0.793 495 HG12 VAL 69 2HG1 VAL 69 9.659 -4.246 -0.643 496 HG13 VAL 69 3HG1 VAL 69 9.228 -2.843 0.336 497 HG21 VAL 69 1HG2 VAL 69 8.887 -3.625 -2.618 498 HG22 VAL 69 2HG2 VAL 69 7.185 -3.312 -2.956 499 HG23 VAL 69 3HG2 VAL 69 8.192 -2.045 -2.256 500 H GLU 70 H GLU 70 7.214 -7.201 -0.006 501 HA GLU 70 HA GLU 70 6.957 -8.261 1.990 502 HB2 GLU 70 1HB GLU 70 7.203 -5.420 2.970 503 HB3 GLU 70 2HB GLU 70 7.040 -6.786 4.065 504 HG2 GLU 70 1HG GLU 70 9.170 -6.889 2.000 505 HG3 GLU 70 2HG GLU 70 9.393 -5.823 3.387 506 H GLY 71 H GLY 71 4.642 -7.645 0.467 507 HA2 GLY 71 1HA GLY 71 2.392 -8.141 0.836 508 HA3 GLY 71 2HA GLY 71 2.652 -7.925 2.560 509 H GLU 72 H GLU 72 3.887 -5.298 2.246 510 HA GLU 72 HA GLU 72 1.454 -3.754 2.183 511 HB2 GLU 72 1HB GLU 72 3.391 -3.438 3.812 512 HB3 GLU 72 2HB GLU 72 4.254 -2.678 2.482 513 HG2 GLU 72 1HG GLU 72 3.347 -0.879 3.602 514 HG3 GLU 72 2HG GLU 72 2.188 -1.152 2.303 515 H LEU 73 H LEU 73 1.089 -1.905 0.864 516 HA LEU 73 HA LEU 73 2.162 -2.229 -1.828 517 HB2 LEU 73 1HB LEU 73 -0.251 -1.005 -0.631 518 HB3 LEU 73 2HB LEU 73 0.368 -0.259 -2.103 519 HG LEU 73 HG LEU 73 -0.069 -3.205 -2.087 520 HD11 LEU 73 1HD1 LEU 73 -2.352 -1.385 -2.720 521 HD12 LEU 73 2HD1 LEU 73 -2.084 -1.926 -1.063 522 HD13 LEU 73 3HD1 LEU 73 -2.359 -3.108 -2.342 523 HD21 LEU 73 1HD2 LEU 73 -1.045 -2.065 -4.405 524 HD22 LEU 73 2HD2 LEU 73 0.545 -2.797 -4.190 525 HD23 LEU 73 3HD2 LEU 73 0.342 -1.055 -3.995 526 H TYR 74 H TYR 74 2.693 -0.261 -3.088 527 HA TYR 74 HA TYR 74 3.435 2.130 -1.700 528 HB2 TYR 74 1HB TYR 74 5.562 0.165 -2.536 529 HB3 TYR 74 2HB TYR 74 5.898 1.883 -2.352 530 HD1 TYR 74 2HD TYR 74 5.504 2.951 -0.087 531 HD2 TYR 74 1HD TYR 74 5.518 -1.264 -0.668 532 HE1 TYR 74 2HE TYR 74 5.867 2.625 2.324 533 HE2 TYR 74 1HE TYR 74 5.879 -1.601 1.741 534 HH TYR 74 HH TYR 74 7.007 0.519 3.746 535 H CYS 75 H CYS 75 4.234 3.781 -3.122 536 HA CYS 75 HA CYS 75 3.161 3.526 -5.785 537 HB2 CYS 75 1HB CYS 75 3.736 5.911 -6.002 538 HB3 CYS 75 2HB CYS 75 2.822 5.595 -4.531 539 H GLU 76 H GLU 76 4.317 3.883 -7.730 540 HA GLU 76 HA GLU 76 6.527 2.430 -8.216 541 HB2 GLU 76 1HB GLU 76 5.032 3.948 -9.784 542 HB3 GLU 76 2HB GLU 76 6.379 5.064 -9.614 543 HG2 GLU 76 1HG GLU 76 7.896 3.517 -10.576 544 HG3 GLU 76 2HG GLU 76 6.709 2.215 -10.508 545 H THR 77 H THR 77 6.503 5.759 -7.043 546 HA THR 77 HA THR 77 9.267 6.241 -7.199 547 HB THR 77 HB THR 77 7.301 7.407 -5.219 548 HG1 THR 77 1HG THR 77 8.038 8.146 -7.864 549 HG21 THR 77 1HG2 THR 77 9.634 8.936 -6.210 550 HG22 THR 77 2HG2 THR 77 9.969 7.636 -5.067 551 HG23 THR 77 3HG2 THR 77 8.868 8.939 -4.622 552 H HIS 78 H HIS 78 7.458 5.763 -4.167 553 HA HIS 78 HA HIS 78 9.684 5.147 -2.605 554 HB2 HIS 78 1HB HIS 78 6.746 4.603 -2.306 555 HB3 HIS 78 2HB HIS 78 7.892 3.971 -1.127 556 HD2 HIS 78 2HD HIS 78 9.755 6.494 -0.548 557 HE1 HIS 78 1HE HIS 78 6.158 8.673 0.011 558 HE2 HIS 78 2HE HIS 78 8.655 8.659 0.343 559 H ALA 79 H ALA 79 7.272 2.891 -3.957 560 HA ALA 79 HA ALA 79 8.295 0.497 -3.172 561 HB1 ALA 79 1HB ALA 79 7.471 -0.353 -5.462 562 HB2 ALA 79 2HB ALA 79 6.305 0.387 -4.365 563 HB3 ALA 79 3HB ALA 79 6.951 1.312 -5.721 564 H ARG 80 H ARG 80 9.189 2.132 -6.218 565 HA ARG 80 HA ARG 80 11.088 0.434 -7.172 566 HB2 ARG 80 1HB ARG 80 10.834 3.412 -7.244 567 HB3 ARG 80 2HB ARG 80 12.295 2.669 -7.881 568 HG2 ARG 80 1HG ARG 80 11.062 1.449 -9.509 569 HG3 ARG 80 2HG ARG 80 9.526 1.907 -8.770 570 HD2 ARG 80 1HD ARG 80 9.748 4.150 -9.460 571 HD3 ARG 80 2HD ARG 80 11.454 3.940 -9.854 572 HE ARG 80 HE ARG 80 10.238 2.217 -11.534 573 HH11 ARG 80 2HH1 ARG 80 9.721 5.583 -10.808 574 HH12 ARG 80 1HH1 ARG 80 9.140 5.970 -12.394 575 HH21 ARG 80 2HH2 ARG 80 9.475 2.715 -13.625 576 HH22 ARG 80 1HH2 ARG 80 9.000 4.338 -13.995 577 H ALA 81 H ALA 81 11.498 2.823 -4.602 578 HA ALA 81 HA ALA 81 14.297 2.412 -4.286 579 HB1 ALA 81 1HB ALA 81 13.624 3.442 -1.918 580 HB2 ALA 81 2HB ALA 81 13.755 4.419 -3.381 581 HB3 ALA 81 3HB ALA 81 12.174 3.869 -2.827 582 H ARG 82 H ARG 82 11.427 0.943 -2.912 583 HA ARG 82 HA ARG 82 12.810 -0.465 -0.840 584 HB2 ARG 82 1HB ARG 82 10.099 -1.095 -2.014 585 HB3 ARG 82 2HB ARG 82 10.713 -1.586 -0.442 586 HG2 ARG 82 1HG ARG 82 10.604 0.623 0.396 587 HG3 ARG 82 2HG ARG 82 10.324 1.290 -1.214 588 HD2 ARG 82 1HD ARG 82 8.225 1.290 -0.129 589 HD3 ARG 82 2HD ARG 82 8.190 -0.059 -1.264 590 HE ARG 82 HE ARG 82 7.864 -1.437 0.515 591 HH11 ARG 82 2HH1 ARG 82 9.445 1.451 1.646 592 HH12 ARG 82 1HH1 ARG 82 9.412 0.974 3.311 593 HH21 ARG 82 2HH2 ARG 82 7.814 -2.076 2.704 594 HH22 ARG 82 1HH2 ARG 82 8.485 -1.033 3.912 595 H THR 83 H THR 83 11.109 -1.670 -3.738 596 HA THR 83 HA THR 83 12.067 -4.267 -3.669 597 HB THR 83 HB THR 83 10.283 -3.759 -5.166 598 HG1 THR 83 1HG THR 83 11.073 -4.743 -7.043 599 HG21 THR 83 1HG2 THR 83 12.095 -1.615 -6.054 600 HG22 THR 83 2HG2 THR 83 10.333 -1.658 -5.991 601 HG23 THR 83 3HG2 THR 83 11.186 -2.409 -7.339 602 H SER 84 H SER 84 13.625 -1.353 -4.775 603 HA SER 84 HA SER 84 15.684 -0.926 -5.660 604 HB2 SER 84 1HB SER 84 16.347 -1.721 -3.432 605 HB3 SER 84 2HB SER 84 16.395 -3.378 -4.031 606 HG SER 84 HG SER 84 18.348 -2.981 -4.657 607 H GLY 85 H GLY 85 13.923 -2.603 -7.246 608 HA2 GLY 85 1HA GLY 85 15.775 -4.463 -8.553 609 HA3 GLY 85 2HA GLY 85 14.041 -4.373 -8.823 610 HA PRO 86 HA PRO 86 14.533 -1.818 -12.346 611 HB2 PRO 86 1HB PRO 86 12.776 0.221 -11.990 612 HB3 PRO 86 2HB PRO 86 12.268 -1.434 -12.347 613 HG2 PRO 86 1HG PRO 86 12.376 -0.011 -9.716 614 HG3 PRO 86 2HG PRO 86 11.112 -1.073 -10.362 615 HD2 PRO 86 1HD PRO 86 12.952 -1.923 -8.567 616 HD3 PRO 86 2HD PRO 86 12.264 -2.991 -9.807 617 H SER 87 H SER 87 16.455 -0.824 -12.566 618 HA SER 87 HA SER 87 17.857 0.787 -10.944 619 HB2 SER 87 1HB SER 87 18.790 1.905 -12.999 620 HB3 SER 87 2HB SER 87 18.779 0.143 -13.068 621 HG SER 87 HG SER 87 17.707 1.808 -14.788 622 H SER 88 H SER 88 15.633 2.123 -13.396 623 HA SER 88 HA SER 88 15.755 4.773 -12.568 624 HB2 SER 88 1HB SER 88 13.699 5.113 -13.817 625 HB3 SER 88 2HB SER 88 14.731 3.987 -14.698 626 HG SER 88 HG SER 88 12.701 3.122 -12.926 627 H GLY 89 H GLY 89 15.525 5.296 -10.466 628 HA2 GLY 89 1HA GLY 89 13.412 5.940 -9.112 629 HA3 GLY 89 2HA GLY 89 13.235 4.196 -8.988 Start of MODEL 17 1 H1 GLY 1 H GLY 1 7.758 -46.437 58.633 2 HA2 GLY 1 1HA GLY 1 8.253 -45.078 56.807 3 HA3 GLY 1 2HA GLY 1 8.469 -46.519 55.824 4 H SER 2 H SER 2 7.276 -45.349 54.185 5 HA SER 2 HA SER 2 4.441 -45.919 54.361 6 HB2 SER 2 1HB SER 2 4.948 -43.501 55.222 7 HB3 SER 2 2HB SER 2 5.166 -43.133 53.511 8 HG SER 2 HG SER 2 2.948 -42.995 54.618 9 H SER 3 H SER 3 3.476 -46.220 52.374 10 HA SER 3 HA SER 3 5.330 -46.278 50.098 11 HB2 SER 3 1HB SER 3 2.665 -47.683 50.379 12 HB3 SER 3 2HB SER 3 3.868 -47.940 49.115 13 HG SER 3 HG SER 3 3.972 -48.657 51.839 14 H GLY 4 H GLY 4 4.242 -45.940 47.916 15 HA2 GLY 4 1HA GLY 4 1.926 -44.259 47.809 16 HA3 GLY 4 2HA GLY 4 3.412 -43.342 47.611 17 H SER 5 H SER 5 1.852 -43.118 45.551 18 HA SER 5 HA SER 5 3.252 -44.527 43.456 19 HB2 SER 5 1HB SER 5 0.252 -44.839 43.727 20 HB3 SER 5 2HB SER 5 1.230 -45.414 42.377 21 HG SER 5 HG SER 5 2.426 -46.531 44.241 22 H SER 6 H SER 6 2.874 -43.621 41.352 23 HA SER 6 HA SER 6 1.247 -41.234 41.148 24 HB2 SER 6 1HB SER 6 3.200 -39.847 40.375 25 HB3 SER 6 2HB SER 6 3.226 -40.244 42.093 26 HG SER 6 HG SER 6 5.228 -40.554 40.731 27 H GLY 7 H GLY 7 1.277 -40.332 38.926 28 HA2 GLY 7 1HA GLY 7 2.151 -42.292 36.909 29 HA3 GLY 7 2HA GLY 7 0.485 -41.734 36.920 30 H VAL 8 H VAL 8 1.162 -41.155 34.661 31 HA VAL 8 HA VAL 8 1.974 -38.351 34.641 32 HB VAL 8 HB VAL 8 3.509 -38.659 32.764 33 HG11 VAL 8 1HG1 VAL 8 5.362 -39.656 33.981 34 HG12 VAL 8 2HG1 VAL 8 4.387 -38.652 35.057 35 HG13 VAL 8 3HG1 VAL 8 4.236 -40.409 35.111 36 HG21 VAL 8 1HG2 VAL 8 2.647 -41.496 33.041 37 HG22 VAL 8 2HG2 VAL 8 2.919 -40.536 31.586 38 HG23 VAL 8 3HG2 VAL 8 4.292 -41.159 32.501 39 H ARG 9 H ARG 9 0.484 -37.262 33.556 40 HA ARG 9 HA ARG 9 -0.695 -38.459 31.151 41 HB2 ARG 9 1HB ARG 9 -2.226 -37.179 33.420 42 HB3 ARG 9 2HB ARG 9 -2.918 -37.528 31.841 43 HG2 ARG 9 1HG ARG 9 -1.698 -39.627 33.615 44 HG3 ARG 9 2HG ARG 9 -3.413 -39.209 33.625 45 HD2 ARG 9 1HD ARG 9 -2.109 -39.868 31.029 46 HD3 ARG 9 2HD ARG 9 -2.493 -41.181 32.141 47 HE ARG 9 HE ARG 9 -4.826 -39.945 32.056 48 HH11 ARG 9 2HH1 ARG 9 -2.626 -40.705 29.467 49 HH12 ARG 9 1HH1 ARG 9 -3.874 -40.855 28.275 50 HH21 ARG 9 2HH2 ARG 9 -6.479 -40.140 30.495 51 HH22 ARG 9 1HH2 ARG 9 -6.065 -40.533 28.861 52 H ALA 10 H ALA 10 -1.899 -36.798 29.843 53 HA ALA 10 HA ALA 10 -1.015 -34.052 30.248 54 HB1 ALA 10 1HB ALA 10 0.823 -34.753 28.982 55 HB2 ALA 10 2HB ALA 10 -0.174 -35.752 27.923 56 HB3 ALA 10 3HB ALA 10 -0.252 -33.994 27.808 57 HA PRO 11 HA PRO 11 -5.267 -33.838 28.801 58 HB2 PRO 11 1HB PRO 11 -5.612 -31.236 29.492 59 HB3 PRO 11 2HB PRO 11 -5.703 -32.560 30.660 60 HG2 PRO 11 1HG PRO 11 -3.429 -30.702 30.076 61 HG3 PRO 11 2HG PRO 11 -4.039 -31.266 31.643 62 HD2 PRO 11 1HD PRO 11 -1.842 -32.326 30.468 63 HD3 PRO 11 2HD PRO 11 -2.934 -33.283 31.488 64 H VAL 12 H VAL 12 -6.165 -33.118 26.925 65 HA VAL 12 HA VAL 12 -4.422 -31.551 25.153 66 HB VAL 12 HB VAL 12 -5.103 -33.764 24.320 67 HG11 VAL 12 1HG1 VAL 12 -7.461 -33.371 25.517 68 HG12 VAL 12 2HG1 VAL 12 -7.894 -32.892 23.875 69 HG13 VAL 12 3HG1 VAL 12 -7.241 -34.502 24.183 70 HG21 VAL 12 1HG2 VAL 12 -6.317 -32.806 22.188 71 HG22 VAL 12 2HG2 VAL 12 -5.914 -31.258 22.931 72 HG23 VAL 12 3HG2 VAL 12 -4.634 -32.406 22.535 73 H THR 13 H THR 13 -5.075 -29.664 24.244 74 HA THR 13 HA THR 13 -7.838 -28.783 24.570 75 HB THR 13 HB THR 13 -7.170 -26.607 25.505 76 HG1 THR 13 1HG THR 13 -4.629 -27.675 26.113 77 HG21 THR 13 1HG2 THR 13 -7.719 -28.724 26.913 78 HG22 THR 13 2HG2 THR 13 -7.050 -27.304 27.717 79 HG23 THR 13 3HG2 THR 13 -6.008 -28.674 27.335 80 H LYS 14 H LYS 14 -8.454 -28.156 22.617 81 HA LYS 14 HA LYS 14 -6.779 -26.328 21.093 82 HB2 LYS 14 1HB LYS 14 -6.417 -28.853 20.448 83 HB3 LYS 14 2HB LYS 14 -7.944 -28.646 19.601 84 HG2 LYS 14 1HG LYS 14 -6.551 -28.086 17.914 85 HG3 LYS 14 2HG LYS 14 -6.681 -26.497 18.672 86 HD2 LYS 14 1HD LYS 14 -4.562 -28.351 19.637 87 HD3 LYS 14 2HD LYS 14 -4.334 -27.563 18.074 88 HE2 LYS 14 1HE LYS 14 -4.736 -25.378 19.175 89 HE3 LYS 14 2HE LYS 14 -4.825 -26.211 20.725 90 HZ1 LYS 14 1HZ LYS 14 -2.457 -26.768 19.153 91 HZ2 LYS 14 2HZ LYS 14 -2.611 -26.469 20.810 92 HZ3 LYS 14 3HZ LYS 14 -2.583 -25.178 19.717 93 H VAL 15 H VAL 15 -7.924 -24.956 19.768 94 HA VAL 15 HA VAL 15 -10.744 -25.416 19.274 95 HB VAL 15 HB VAL 15 -10.794 -24.385 21.491 96 HG11 VAL 15 1HG1 VAL 15 -9.432 -22.008 20.232 97 HG12 VAL 15 2HG1 VAL 15 -9.925 -22.189 21.917 98 HG13 VAL 15 3HG1 VAL 15 -8.624 -23.186 21.266 99 HG21 VAL 15 1HG2 VAL 15 -11.658 -22.240 19.592 100 HG22 VAL 15 2HG2 VAL 15 -12.437 -23.823 19.566 101 HG23 VAL 15 3HG2 VAL 15 -12.470 -22.847 21.035 102 H HIS 16 H HIS 16 -11.233 -24.704 17.306 103 HA HIS 16 HA HIS 16 -9.920 -22.330 16.237 104 HB2 HIS 16 1HB HIS 16 -8.543 -24.304 15.549 105 HB3 HIS 16 2HB HIS 16 -9.953 -24.937 14.704 106 HD1 HIS 16 1HD HIS 16 -10.926 -23.169 12.807 107 HD2 HIS 16 2HD HIS 16 -6.962 -22.768 13.985 108 HE1 HIS 16 1HE HIS 16 -9.816 -21.835 10.988 109 HE2 HIS 16 2HE HIS 16 -7.399 -21.678 11.680 110 H GLY 17 H GLY 17 -11.275 -21.099 15.069 111 HA2 GLY 17 1HA GLY 17 -13.367 -22.088 13.447 112 HA3 GLY 17 2HA GLY 17 -14.020 -21.596 15.003 113 H GLY 18 H GLY 18 -13.848 -20.564 12.004 114 HA2 GLY 18 1HA GLY 18 -14.678 -18.063 12.167 115 HA3 GLY 18 2HA GLY 18 -12.979 -17.827 12.550 116 H ALA 19 H ALA 19 -15.282 -18.168 10.081 117 HA ALA 19 HA ALA 19 -13.194 -17.833 8.073 118 HB1 ALA 19 1HB ALA 19 -15.205 -19.653 7.069 119 HB2 ALA 19 2HB ALA 19 -13.447 -19.791 7.047 120 HB3 ALA 19 3HB ALA 19 -14.355 -20.324 8.462 121 H GLY 20 H GLY 20 -14.330 -17.503 5.832 122 HA2 GLY 20 1HA GLY 20 -16.244 -15.358 6.245 123 HA3 GLY 20 2HA GLY 20 -15.447 -15.771 4.734 124 H SER 21 H SER 21 -17.350 -17.862 6.868 125 HA SER 21 HA SER 21 -18.756 -19.088 4.785 126 HB2 SER 21 1HB SER 21 -18.517 -20.039 7.065 127 HB3 SER 21 2HB SER 21 -19.629 -18.812 7.671 128 HG SER 21 HG SER 21 -20.144 -21.120 6.270 129 H ALA 22 H ALA 22 -19.743 -16.468 6.973 130 HA ALA 22 HA ALA 22 -22.224 -16.085 5.516 131 HB1 ALA 22 1HB ALA 22 -21.887 -13.975 7.324 132 HB2 ALA 22 2HB ALA 22 -22.885 -15.415 7.527 133 HB3 ALA 22 3HB ALA 22 -21.225 -15.402 8.122 134 H GLN 23 H GLN 23 -19.186 -14.348 6.068 135 HA GLN 23 HA GLN 23 -19.898 -12.053 4.560 136 HB2 GLN 23 1HB GLN 23 -17.174 -13.141 5.288 137 HB3 GLN 23 2HB GLN 23 -17.473 -11.545 4.613 138 HG2 GLN 23 1HG GLN 23 -18.473 -12.567 7.261 139 HG3 GLN 23 2HG GLN 23 -17.146 -11.434 7.012 140 HE21 GLN 23 1HE2 GLN 23 -20.604 -11.890 6.765 141 HE22 GLN 23 2HE2 GLN 23 -21.020 -10.214 6.754 142 H ARG 24 H ARG 24 -20.520 -12.330 2.497 143 HA ARG 24 HA ARG 24 -19.052 -14.154 0.762 144 HB2 ARG 24 1HB ARG 24 -21.592 -13.992 0.817 145 HB3 ARG 24 2HB ARG 24 -21.416 -12.439 0.011 146 HG2 ARG 24 1HG ARG 24 -21.898 -14.155 -1.608 147 HG3 ARG 24 2HG ARG 24 -20.255 -13.558 -1.845 148 HD2 ARG 24 1HD ARG 24 -19.369 -15.490 -0.653 149 HD3 ARG 24 2HD ARG 24 -21.006 -16.075 -0.363 150 HE ARG 24 HE ARG 24 -19.472 -16.434 -2.720 151 HH11 ARG 24 2HH1 ARG 24 -22.722 -15.878 -1.602 152 HH12 ARG 24 1HH1 ARG 24 -23.462 -16.642 -2.970 153 HH21 ARG 24 2HH2 ARG 24 -20.435 -17.443 -4.525 154 HH22 ARG 24 1HH2 ARG 24 -22.160 -17.533 -4.631 155 H MET 25 H MET 25 -18.296 -11.287 1.805 156 HA MET 25 HA MET 25 -17.280 -10.377 -0.801 157 HB2 MET 25 1HB MET 25 -17.841 -8.164 -0.416 158 HB3 MET 25 2HB MET 25 -19.227 -9.007 0.262 159 HG2 MET 25 1HG MET 25 -16.899 -7.859 1.783 160 HG3 MET 25 2HG MET 25 -18.543 -7.229 1.730 161 HE1 MET 25 1HE MET 25 -17.261 -7.730 4.652 162 HE2 MET 25 2HE MET 25 -17.081 -9.429 5.088 163 HE3 MET 25 3HE MET 25 -16.130 -8.752 3.765 164 HA PRO 26 HA PRO 26 -13.308 -10.277 1.065 165 HB2 PRO 26 1HB PRO 26 -12.147 -8.225 -0.281 166 HB3 PRO 26 2HB PRO 26 -12.472 -9.797 -1.021 167 HG2 PRO 26 1HG PRO 26 -14.040 -7.253 -1.207 168 HG3 PRO 26 2HG PRO 26 -13.629 -8.410 -2.486 169 HD2 PRO 26 1HD PRO 26 -16.059 -8.361 -1.293 170 HD3 PRO 26 2HD PRO 26 -15.320 -9.859 -1.893 171 H LEU 27 H LEU 27 -12.067 -9.215 2.609 172 HA LEU 27 HA LEU 27 -13.350 -6.869 3.820 173 HB2 LEU 27 1HB LEU 27 -12.711 -9.189 4.987 174 HB3 LEU 27 2HB LEU 27 -11.194 -8.326 5.232 175 HG LEU 27 HG LEU 27 -12.569 -8.107 7.194 176 HD11 LEU 27 1HD1 LEU 27 -11.474 -5.988 5.773 177 HD12 LEU 27 2HD1 LEU 27 -11.909 -6.006 7.481 178 HD13 LEU 27 3HD1 LEU 27 -13.060 -5.410 6.285 179 HD21 LEU 27 1HD2 LEU 27 -14.668 -6.687 5.592 180 HD22 LEU 27 2HD2 LEU 27 -14.772 -7.348 7.224 181 HD23 LEU 27 3HD2 LEU 27 -14.725 -8.433 5.834 182 H CYS 28 H CYS 28 -12.455 -4.965 3.433 183 HA CYS 28 HA CYS 28 -10.094 -4.495 2.084 184 HB2 CYS 28 1HB CYS 28 -11.940 -2.839 2.533 185 HB3 CYS 28 2HB CYS 28 -11.279 -2.637 4.152 186 H ASP 29 H ASP 29 -8.044 -4.823 2.599 187 HA ASP 29 HA ASP 29 -7.260 -5.460 5.286 188 HB2 ASP 29 1HB ASP 29 -6.326 -6.362 3.004 189 HB3 ASP 29 2HB ASP 29 -5.284 -4.945 3.095 190 H LYS 30 H LYS 30 -7.919 -2.595 3.918 191 HA LYS 30 HA LYS 30 -5.684 -1.139 5.126 192 HB2 LYS 30 1HB LYS 30 -6.301 -0.511 2.845 193 HB3 LYS 30 2HB LYS 30 -7.947 -0.177 3.366 194 HG2 LYS 30 1HG LYS 30 -7.179 1.937 3.434 195 HG3 LYS 30 2HG LYS 30 -6.625 1.444 5.036 196 HD2 LYS 30 1HD LYS 30 -4.446 0.787 3.960 197 HD3 LYS 30 2HD LYS 30 -5.023 1.569 2.487 198 HE2 LYS 30 1HE LYS 30 -3.643 3.122 3.684 199 HE3 LYS 30 2HE LYS 30 -5.316 3.667 3.786 200 HZ1 LYS 30 1HZ LYS 30 -5.161 2.196 5.985 201 HZ2 LYS 30 2HZ LYS 30 -4.792 3.847 5.955 202 HZ3 LYS 30 3HZ LYS 30 -3.549 2.701 5.882 203 H CYS 31 H CYS 31 -9.248 -1.000 5.080 204 HA CYS 31 HA CYS 31 -9.140 0.207 7.765 205 HB2 CYS 31 1HB CYS 31 -11.288 1.239 7.288 206 HB3 CYS 31 2HB CYS 31 -10.137 1.657 6.024 207 H GLY 32 H GLY 32 -9.319 -2.696 6.652 208 HA2 GLY 32 1HA GLY 32 -10.542 -4.622 7.075 209 HA3 GLY 32 2HA GLY 32 -10.429 -4.007 8.717 210 H SER 33 H SER 33 -12.284 -2.800 5.940 211 HA SER 33 HA SER 33 -14.736 -3.241 7.516 212 HB2 SER 33 1HB SER 33 -13.815 -0.797 7.026 213 HB3 SER 33 2HB SER 33 -14.630 -1.056 5.484 214 HG SER 33 HG SER 33 -15.917 -0.092 7.233 215 H GLY 34 H GLY 34 -16.340 -4.338 6.557 216 HA2 GLY 34 1HA GLY 34 -16.092 -5.956 4.412 217 HA3 GLY 34 2HA GLY 34 -17.638 -5.258 4.873 218 H ILE 35 H ILE 35 -16.300 -5.910 2.225 219 HA ILE 35 HA ILE 35 -16.531 -3.239 1.003 220 HB ILE 35 HB ILE 35 -15.126 -5.674 -0.101 221 HG12 ILE 35 1HG1 ILE 35 -13.792 -3.118 0.742 222 HG13 ILE 35 2HG1 ILE 35 -14.129 -4.377 1.926 223 HG21 ILE 35 1HG2 ILE 35 -14.829 -4.586 -2.040 224 HG22 ILE 35 2HG2 ILE 35 -16.211 -3.623 -1.518 225 HG23 ILE 35 3HG2 ILE 35 -14.572 -3.034 -1.244 226 HD11 ILE 35 1HD1 ILE 35 -12.775 -5.945 0.693 227 HD12 ILE 35 2HD1 ILE 35 -12.503 -4.752 -0.577 228 HD13 ILE 35 3HD1 ILE 35 -11.847 -4.486 1.039 229 H VAL 36 H VAL 36 -18.192 -2.863 -0.308 230 HA VAL 36 HA VAL 36 -19.383 -4.979 -1.880 231 HB VAL 36 HB VAL 36 -20.683 -5.363 0.059 232 HG11 VAL 36 1HG1 VAL 36 -20.420 -3.673 1.559 233 HG12 VAL 36 2HG1 VAL 36 -20.575 -2.411 0.335 234 HG13 VAL 36 3HG1 VAL 36 -22.012 -3.238 0.940 235 HG21 VAL 36 1HG2 VAL 36 -21.826 -4.736 -2.271 236 HG22 VAL 36 2HG2 VAL 36 -22.758 -5.213 -0.852 237 HG23 VAL 36 3HG2 VAL 36 -22.578 -3.506 -1.255 238 H GLY 37 H GLY 37 -19.788 -4.152 -3.819 239 HA2 GLY 37 1HA GLY 37 -21.098 -2.548 -5.120 240 HA3 GLY 37 2HA GLY 37 -20.573 -1.310 -3.988 241 H ALA 38 H ALA 38 -17.889 -1.734 -3.814 242 HA ALA 38 HA ALA 38 -16.746 -1.926 -6.463 243 HB1 ALA 38 1HB ALA 38 -17.656 0.556 -5.689 244 HB2 ALA 38 2HB ALA 38 -15.937 0.611 -5.297 245 HB3 ALA 38 3HB ALA 38 -16.455 0.233 -6.939 246 H VAL 39 H VAL 39 -14.802 -2.829 -6.300 247 HA VAL 39 HA VAL 39 -13.177 -2.325 -3.909 248 HB VAL 39 HB VAL 39 -14.537 -4.588 -3.936 249 HG11 VAL 39 1HG1 VAL 39 -13.662 -6.349 -5.115 250 HG12 VAL 39 2HG1 VAL 39 -13.378 -5.031 -6.253 251 HG13 VAL 39 3HG1 VAL 39 -12.062 -5.618 -5.235 252 HG21 VAL 39 1HG2 VAL 39 -11.605 -4.579 -3.240 253 HG22 VAL 39 2HG2 VAL 39 -12.854 -3.806 -2.263 254 HG23 VAL 39 3HG2 VAL 39 -12.879 -5.553 -2.505 255 H VAL 40 H VAL 40 -10.904 -2.973 -4.191 256 HA VAL 40 HA VAL 40 -10.061 -3.064 -7.007 257 HB VAL 40 HB VAL 40 -8.869 -1.275 -4.884 258 HG11 VAL 40 1HG1 VAL 40 -7.303 -0.541 -6.535 259 HG12 VAL 40 2HG1 VAL 40 -7.220 -2.302 -6.455 260 HG13 VAL 40 3HG1 VAL 40 -8.078 -1.518 -7.781 261 HG21 VAL 40 1HG2 VAL 40 -10.578 -0.747 -7.295 262 HG22 VAL 40 2HG2 VAL 40 -10.826 -0.221 -5.629 263 HG23 VAL 40 3HG2 VAL 40 -9.542 0.500 -6.600 264 H LYS 41 H LYS 41 -9.275 -5.096 -7.079 265 HA LYS 41 HA LYS 41 -7.374 -5.924 -4.992 266 HB2 LYS 41 1HB LYS 41 -8.860 -7.655 -5.003 267 HB3 LYS 41 2HB LYS 41 -9.339 -7.374 -6.672 268 HG2 LYS 41 1HG LYS 41 -6.991 -8.275 -7.255 269 HG3 LYS 41 2HG LYS 41 -7.012 -8.922 -5.612 270 HD2 LYS 41 1HD LYS 41 -9.398 -9.785 -6.384 271 HD3 LYS 41 2HD LYS 41 -8.650 -9.670 -7.979 272 HE2 LYS 41 1HE LYS 41 -6.698 -10.975 -6.887 273 HE3 LYS 41 2HE LYS 41 -7.880 -11.383 -5.644 274 HZ1 LYS 41 1HZ LYS 41 -9.294 -12.346 -7.337 275 HZ2 LYS 41 2HZ LYS 41 -7.766 -13.071 -7.377 276 HZ3 LYS 41 3HZ LYS 41 -8.189 -11.926 -8.548 277 H ALA 42 H ALA 42 -5.288 -5.963 -5.482 278 HA ALA 42 HA ALA 42 -4.405 -5.473 -8.179 279 HB1 ALA 42 1HB ALA 42 -2.104 -5.699 -7.042 280 HB2 ALA 42 2HB ALA 42 -3.132 -4.334 -6.602 281 HB3 ALA 42 3HB ALA 42 -3.021 -5.735 -5.536 282 H ARG 43 H ARG 43 -2.931 -7.797 -5.958 283 HA ARG 43 HA ARG 43 -2.762 -9.709 -8.169 284 HB2 ARG 43 1HB ARG 43 -0.804 -8.899 -6.561 285 HB3 ARG 43 2HB ARG 43 -1.425 -10.198 -5.552 286 HG2 ARG 43 1HG ARG 43 -0.923 -11.834 -7.151 287 HG3 ARG 43 2HG ARG 43 -0.719 -10.637 -8.432 288 HD2 ARG 43 1HD ARG 43 1.251 -9.748 -7.188 289 HD3 ARG 43 2HD ARG 43 1.081 -11.090 -6.057 290 HE ARG 43 HE ARG 43 2.144 -12.405 -7.579 291 HH11 ARG 43 2HH1 ARG 43 0.723 -9.709 -9.262 292 HH12 ARG 43 1HH1 ARG 43 1.386 -10.153 -10.800 293 HH21 ARG 43 2HH2 ARG 43 3.021 -13.000 -9.599 294 HH22 ARG 43 1HH2 ARG 43 2.692 -12.025 -10.991 295 H ASP 44 H ASP 44 -2.930 -10.278 -4.672 296 HA ASP 44 HA ASP 44 -5.191 -12.104 -5.166 297 HB2 ASP 44 1HB ASP 44 -2.724 -12.427 -3.511 298 HB3 ASP 44 2HB ASP 44 -4.211 -13.200 -2.968 299 H LYS 45 H LYS 45 -3.889 -9.530 -3.269 300 HA LYS 45 HA LYS 45 -5.922 -9.716 -1.213 301 HB2 LYS 45 1HB LYS 45 -3.550 -7.981 -1.724 302 HB3 LYS 45 2HB LYS 45 -4.825 -7.355 -0.687 303 HG2 LYS 45 1HG LYS 45 -4.547 -9.704 0.482 304 HG3 LYS 45 2HG LYS 45 -2.937 -9.601 -0.235 305 HD2 LYS 45 1HD LYS 45 -4.142 -7.396 1.425 306 HD3 LYS 45 2HD LYS 45 -3.163 -8.694 2.113 307 HE2 LYS 45 1HE LYS 45 -2.101 -7.143 -0.203 308 HE3 LYS 45 2HE LYS 45 -2.076 -6.410 1.400 309 HZ1 LYS 45 1HZ LYS 45 -1.062 -8.801 1.946 310 HZ2 LYS 45 2HZ LYS 45 -0.110 -7.471 1.515 311 HZ3 LYS 45 3HZ LYS 45 -0.521 -8.629 0.352 312 H TYR 46 H TYR 46 -7.227 -7.738 -0.690 313 HA TYR 46 HA TYR 46 -8.095 -6.352 -3.139 314 HB2 TYR 46 1HB TYR 46 -9.882 -7.458 -0.962 315 HB3 TYR 46 2HB TYR 46 -10.424 -6.502 -2.337 316 HD1 TYR 46 1HD TYR 46 -8.330 -9.551 -1.752 317 HD2 TYR 46 2HD TYR 46 -11.385 -7.690 -4.055 318 HE1 TYR 46 1HE TYR 46 -8.577 -11.610 -3.076 319 HE2 TYR 46 2HE TYR 46 -11.642 -9.743 -5.385 320 HH TYR 46 HH TYR 46 -10.019 -12.709 -4.519 321 H ARG 47 H ARG 47 -8.810 -4.232 -2.900 322 HA ARG 47 HA ARG 47 -8.760 -3.027 -0.248 323 HB2 ARG 47 1HB ARG 47 -6.999 -2.052 -2.505 324 HB3 ARG 47 2HB ARG 47 -7.216 -1.247 -0.957 325 HG2 ARG 47 1HG ARG 47 -6.313 -4.065 -0.901 326 HG3 ARG 47 2HG ARG 47 -5.163 -2.849 -1.463 327 HD2 ARG 47 1HD ARG 47 -5.595 -1.559 0.612 328 HD3 ARG 47 2HD ARG 47 -6.625 -2.875 1.174 329 HE ARG 47 HE ARG 47 -4.724 -4.211 1.475 330 HH11 ARG 47 2HH1 ARG 47 -3.930 -1.055 0.238 331 HH12 ARG 47 1HH1 ARG 47 -2.246 -1.184 0.624 332 HH21 ARG 47 2HH2 ARG 47 -2.509 -4.392 1.989 333 HH22 ARG 47 1HH2 ARG 47 -1.439 -3.083 1.620 334 H HIS 48 H HIS 48 -9.997 -1.185 -0.069 335 HA HIS 48 HA HIS 48 -12.144 -0.847 -1.798 336 HB2 HIS 48 1HB HIS 48 -10.969 0.753 0.421 337 HB3 HIS 48 2HB HIS 48 -12.144 1.548 -0.622 338 HD2 HIS 48 2HD HIS 48 -14.307 -0.881 -0.918 339 HE1 HIS 48 1HE HIS 48 -14.357 -0.815 3.323 340 HE2 HIS 48 2HE HIS 48 -15.515 -1.634 1.241 341 HA PRO 49 HA PRO 49 -10.835 1.700 -5.120 342 HB2 PRO 49 1HB PRO 49 -12.892 3.451 -5.391 343 HB3 PRO 49 2HB PRO 49 -13.018 1.745 -5.835 344 HG2 PRO 49 1HG PRO 49 -13.944 3.127 -3.346 345 HG3 PRO 49 2HG PRO 49 -14.775 1.899 -4.319 346 HD2 PRO 49 1HD PRO 49 -13.482 1.303 -2.016 347 HD3 PRO 49 2HD PRO 49 -13.587 0.165 -3.374 348 H GLU 50 H GLU 50 -11.286 3.045 -2.023 349 HA GLU 50 HA GLU 50 -9.925 5.524 -2.854 350 HB2 GLU 50 1HB GLU 50 -10.939 6.623 -0.918 351 HB3 GLU 50 2HB GLU 50 -12.170 5.960 -1.983 352 HG2 GLU 50 1HG GLU 50 -12.127 3.924 -0.412 353 HG3 GLU 50 2HG GLU 50 -11.302 5.002 0.712 354 H CYS 51 H CYS 51 -9.950 2.793 -0.713 355 HA CYS 51 HA CYS 51 -7.984 3.746 1.113 356 HB2 CYS 51 1HB CYS 51 -9.015 0.987 0.459 357 HB3 CYS 51 2HB CYS 51 -7.776 1.270 1.677 358 H PHE 52 H PHE 52 -7.884 1.983 -1.918 359 HA PHE 52 HA PHE 52 -5.309 0.994 -1.899 360 HB2 PHE 52 1HB PHE 52 -7.260 0.984 -3.725 361 HB3 PHE 52 2HB PHE 52 -6.257 2.251 -4.424 362 HD1 PHE 52 2HD PHE 52 -5.432 -0.945 -2.687 363 HD2 PHE 52 1HD PHE 52 -5.116 1.401 -6.225 364 HE1 PHE 52 2HE PHE 52 -3.976 -2.657 -3.688 365 HE2 PHE 52 1HE PHE 52 -3.660 -0.309 -7.232 366 HZ PHE 52 HZ PHE 52 -3.088 -2.340 -5.963 367 H VAL 53 H VAL 53 -3.660 2.177 -1.107 368 HA VAL 53 HA VAL 53 -2.642 4.336 -2.704 369 HB VAL 53 HB VAL 53 -2.566 6.029 -0.964 370 HG11 VAL 53 1HG1 VAL 53 -4.498 5.948 -2.507 371 HG12 VAL 53 2HG1 VAL 53 -5.388 5.019 -1.300 372 HG13 VAL 53 3HG1 VAL 53 -4.890 6.675 -0.949 373 HG21 VAL 53 1HG2 VAL 53 -4.126 5.586 1.063 374 HG22 VAL 53 2HG2 VAL 53 -3.856 3.886 0.680 375 HG23 VAL 53 3HG2 VAL 53 -2.489 4.930 1.074 376 H CYS 54 H CYS 54 -0.626 5.306 -1.520 377 HA CYS 54 HA CYS 54 1.129 3.130 -1.002 378 HB2 CYS 54 1HB CYS 54 1.758 5.322 -2.087 379 HB3 CYS 54 2HB CYS 54 1.674 6.057 -0.490 380 H ALA 55 H ALA 55 2.633 3.182 0.944 381 HA ALA 55 HA ALA 55 0.989 3.470 3.366 382 HB1 ALA 55 1HB ALA 55 3.223 1.614 2.636 383 HB2 ALA 55 2HB ALA 55 2.802 1.906 4.324 384 HB3 ALA 55 3HB ALA 55 1.602 1.234 3.219 385 H ASP 56 H ASP 56 3.520 4.910 1.722 386 HA ASP 56 HA ASP 56 4.710 5.982 4.189 387 HB2 ASP 56 1HB ASP 56 6.105 4.856 2.282 388 HB3 ASP 56 2HB ASP 56 5.897 6.404 1.468 389 H CYS 57 H CYS 57 3.289 6.884 1.089 390 HA CYS 57 HA CYS 57 3.045 9.649 2.083 391 HB2 CYS 57 1HB CYS 57 2.971 10.343 -0.305 392 HB3 CYS 57 2HB CYS 57 4.498 9.594 0.149 393 H ASN 58 H ASN 58 1.406 6.843 1.111 394 HA ASN 58 HA ASN 58 -0.797 6.315 0.917 395 HB2 ASN 58 1HB ASN 58 -0.788 7.920 2.991 396 HB3 ASN 58 2HB ASN 58 -1.588 9.038 1.890 397 HD21 ASN 58 1HD2 ASN 58 -1.820 5.982 3.543 398 HD22 ASN 58 2HD2 ASN 58 -3.525 5.781 3.349 399 H LEU 59 H LEU 59 0.454 7.263 -1.362 400 HA LEU 59 HA LEU 59 -1.334 9.172 -2.630 401 HB2 LEU 59 1HB LEU 59 1.001 9.417 -3.100 402 HB3 LEU 59 2HB LEU 59 1.128 7.729 -3.591 403 HG LEU 59 HG LEU 59 -0.488 8.352 -5.480 404 HD11 LEU 59 1HD1 LEU 59 0.504 11.091 -5.467 405 HD12 LEU 59 2HD1 LEU 59 -0.608 10.745 -4.143 406 HD13 LEU 59 3HD1 LEU 59 -1.110 10.468 -5.811 407 HD21 LEU 59 1HD2 LEU 59 1.830 7.835 -5.890 408 HD22 LEU 59 2HD2 LEU 59 2.319 9.453 -5.387 409 HD23 LEU 59 3HD2 LEU 59 1.369 9.235 -6.858 410 H ASN 60 H ASN 60 -2.624 8.726 -4.427 411 HA ASN 60 HA ASN 60 -3.971 6.273 -4.426 412 HB2 ASN 60 1HB ASN 60 -3.873 8.560 -6.380 413 HB3 ASN 60 2HB ASN 60 -4.828 7.119 -6.714 414 HD21 ASN 60 1HD2 ASN 60 -6.179 6.442 -4.705 415 HD22 ASN 60 2HD2 ASN 60 -7.086 7.722 -3.982 416 H LEU 61 H LEU 61 -3.389 4.357 -5.184 417 HA LEU 61 HA LEU 61 -1.276 4.225 -7.222 418 HB2 LEU 61 1HB LEU 61 -2.259 2.021 -5.421 419 HB3 LEU 61 2HB LEU 61 -0.831 1.994 -6.453 420 HG LEU 61 HG LEU 61 -1.188 3.763 -4.035 421 HD11 LEU 61 1HD1 LEU 61 0.635 2.241 -3.130 422 HD12 LEU 61 2HD1 LEU 61 0.197 1.126 -4.424 423 HD13 LEU 61 3HD1 LEU 61 -0.997 1.574 -3.206 424 HD21 LEU 61 1HD2 LEU 61 1.216 4.183 -4.319 425 HD22 LEU 61 2HD2 LEU 61 0.277 4.745 -5.702 426 HD23 LEU 61 3HD2 LEU 61 1.195 3.242 -5.811 427 H LYS 62 H LYS 62 -4.593 3.550 -6.617 428 HA LYS 62 HA LYS 62 -5.352 1.503 -8.173 429 HB2 LYS 62 1HB LYS 62 -7.060 2.775 -7.157 430 HB3 LYS 62 2HB LYS 62 -6.553 4.255 -7.962 431 HG2 LYS 62 1HG LYS 62 -8.480 3.663 -9.097 432 HG3 LYS 62 2HG LYS 62 -7.196 3.041 -10.137 433 HD2 LYS 62 1HD LYS 62 -7.539 0.868 -8.682 434 HD3 LYS 62 2HD LYS 62 -9.136 1.572 -8.416 435 HE2 LYS 62 1HE LYS 62 -9.551 1.642 -10.787 436 HE3 LYS 62 2HE LYS 62 -7.906 1.109 -11.130 437 HZ1 LYS 62 1HZ LYS 62 -8.544 -0.988 -10.941 438 HZ2 LYS 62 2HZ LYS 62 -10.145 -0.475 -10.757 439 HZ3 LYS 62 3HZ LYS 62 -9.174 -0.723 -9.394 440 H GLN 63 H GLN 63 -5.176 4.769 -9.600 441 HA GLN 63 HA GLN 63 -5.054 3.713 -12.257 442 HB2 GLN 63 1HB GLN 63 -4.638 6.132 -12.869 443 HB3 GLN 63 2HB GLN 63 -6.137 5.809 -12.007 444 HG2 GLN 63 1HG GLN 63 -5.239 6.661 -9.972 445 HG3 GLN 63 2HG GLN 63 -3.625 6.776 -10.671 446 HE21 GLN 63 1HE2 GLN 63 -6.932 7.934 -11.205 447 HE22 GLN 63 2HE2 GLN 63 -6.479 9.523 -11.708 448 H LYS 64 H LYS 64 -2.730 5.159 -10.022 449 HA LYS 64 HA LYS 64 -0.557 5.157 -11.864 450 HB2 LYS 64 1HB LYS 64 -0.528 5.244 -8.841 451 HB3 LYS 64 2HB LYS 64 0.838 5.610 -9.888 452 HG2 LYS 64 1HG LYS 64 -0.485 7.473 -10.864 453 HG3 LYS 64 2HG LYS 64 -1.740 7.148 -9.666 454 HD2 LYS 64 1HD LYS 64 -0.167 7.602 -7.866 455 HD3 LYS 64 2HD LYS 64 1.126 7.860 -9.040 456 HE2 LYS 64 1HE LYS 64 0.347 10.005 -8.380 457 HE3 LYS 64 2HE LYS 64 -0.263 9.715 -10.008 458 HZ1 LYS 64 1HZ LYS 64 -2.112 10.509 -8.934 459 HZ2 LYS 64 2HZ LYS 64 -1.730 9.770 -7.461 460 HZ3 LYS 64 3HZ LYS 64 -2.329 8.842 -8.742 461 H GLY 65 H GLY 65 1.567 3.980 -10.959 462 HA2 GLY 65 1HA GLY 65 1.000 1.166 -11.268 463 HA3 GLY 65 2HA GLY 65 2.590 1.908 -11.171 464 H TYR 66 H TYR 66 0.495 -0.114 -9.629 465 HA TYR 66 HA TYR 66 1.167 0.623 -6.911 466 HB2 TYR 66 1HB TYR 66 -0.322 -1.063 -6.225 467 HB3 TYR 66 2HB TYR 66 -1.049 -0.415 -7.691 468 HD1 TYR 66 1HD TYR 66 -1.114 -1.733 -9.737 469 HD2 TYR 66 2HD TYR 66 0.608 -3.303 -6.177 470 HE1 TYR 66 1HE TYR 66 -1.177 -3.991 -10.710 471 HE2 TYR 66 2HE TYR 66 0.551 -5.565 -7.141 472 HH TYR 66 HH TYR 66 0.039 -6.163 -10.402 473 H PHE 67 H PHE 67 2.121 -0.979 -5.422 474 HA PHE 67 HA PHE 67 3.922 -2.907 -6.675 475 HB2 PHE 67 1HB PHE 67 4.755 -0.470 -5.162 476 HB3 PHE 67 2HB PHE 67 5.698 -1.944 -4.963 477 HD1 PHE 67 1HD PHE 67 4.230 0.140 -7.687 478 HD2 PHE 67 2HD PHE 67 7.475 -2.281 -6.373 479 HE1 PHE 67 1HE PHE 67 5.443 0.642 -9.768 480 HE2 PHE 67 2HE PHE 67 8.693 -1.782 -8.452 481 HZ PHE 67 HZ PHE 67 7.678 -0.318 -10.152 482 H PHE 68 H PHE 68 4.914 -4.381 -5.104 483 HA PHE 68 HA PHE 68 3.405 -4.565 -2.586 484 HB2 PHE 68 1HB PHE 68 3.684 -6.580 -4.755 485 HB3 PHE 68 2HB PHE 68 3.752 -7.170 -3.097 486 HD1 PHE 68 1HD PHE 68 1.835 -6.110 -1.545 487 HD2 PHE 68 2HD PHE 68 1.636 -6.582 -5.771 488 HE1 PHE 68 1HE PHE 68 -0.622 -6.072 -1.430 489 HE2 PHE 68 2HE PHE 68 -0.821 -6.544 -5.663 490 HZ PHE 68 HZ PHE 68 -1.954 -6.288 -3.491 491 H VAL 69 H VAL 69 4.964 -4.046 -1.158 492 HA VAL 69 HA VAL 69 7.496 -5.550 -1.299 493 HB VAL 69 HB VAL 69 7.013 -2.824 -0.088 494 HG11 VAL 69 1HG1 VAL 69 9.774 -3.578 -0.420 495 HG12 VAL 69 2HG1 VAL 69 8.928 -3.019 1.024 496 HG13 VAL 69 3HG1 VAL 69 8.926 -4.733 0.608 497 HG21 VAL 69 1HG2 VAL 69 7.074 -2.922 -2.578 498 HG22 VAL 69 2HG2 VAL 69 8.366 -1.956 -1.867 499 HG23 VAL 69 3HG2 VAL 69 8.707 -3.579 -2.465 500 H GLU 70 H GLU 70 7.220 -7.235 0.049 501 HA GLU 70 HA GLU 70 6.947 -8.416 1.974 502 HB2 GLU 70 1HB GLU 70 7.225 -5.704 3.284 503 HB3 GLU 70 2HB GLU 70 7.351 -7.255 4.103 504 HG2 GLU 70 1HG GLU 70 9.290 -7.793 2.636 505 HG3 GLU 70 2HG GLU 70 9.207 -6.147 2.013 506 H GLY 71 H GLY 71 4.623 -7.739 0.612 507 HA2 GLY 71 1HA GLY 71 2.371 -8.138 1.069 508 HA3 GLY 71 2HA GLY 71 2.704 -7.919 2.781 509 H GLU 72 H GLU 72 3.997 -5.351 2.473 510 HA GLU 72 HA GLU 72 1.638 -3.714 2.474 511 HB2 GLU 72 1HB GLU 72 3.652 -3.450 4.007 512 HB3 GLU 72 2HB GLU 72 4.493 -2.755 2.628 513 HG2 GLU 72 1HG GLU 72 3.693 -0.933 3.861 514 HG3 GLU 72 2HG GLU 72 2.601 -1.084 2.486 515 H LEU 73 H LEU 73 1.333 -1.809 1.183 516 HA LEU 73 HA LEU 73 2.305 -2.184 -1.555 517 HB2 LEU 73 1HB LEU 73 -0.113 -0.990 -0.327 518 HB3 LEU 73 2HB LEU 73 0.458 -0.282 -1.836 519 HG LEU 73 HG LEU 73 0.026 -3.234 -1.662 520 HD11 LEU 73 1HD1 LEU 73 -2.021 -1.209 -1.334 521 HD12 LEU 73 2HD1 LEU 73 -2.126 -2.961 -1.169 522 HD13 LEU 73 3HD1 LEU 73 -2.298 -2.214 -2.757 523 HD21 LEU 73 1HD2 LEU 73 -0.845 -1.918 -4.055 524 HD22 LEU 73 2HD2 LEU 73 0.426 -3.122 -3.842 525 HD23 LEU 73 3HD2 LEU 73 0.794 -1.407 -3.651 526 H TYR 74 H TYR 74 2.780 -0.222 -2.833 527 HA TYR 74 HA TYR 74 3.469 2.204 -1.475 528 HB2 TYR 74 1HB TYR 74 5.652 0.310 -2.342 529 HB3 TYR 74 2HB TYR 74 5.927 2.033 -2.112 530 HD1 TYR 74 2HD TYR 74 5.603 3.027 0.166 531 HD2 TYR 74 1HD TYR 74 5.558 -1.175 -0.498 532 HE1 TYR 74 2HE TYR 74 5.981 2.650 2.567 533 HE2 TYR 74 1HE TYR 74 5.935 -1.564 1.901 534 HH TYR 74 HH TYR 74 7.109 0.490 3.935 535 H CYS 75 H CYS 75 4.278 3.846 -2.931 536 HA CYS 75 HA CYS 75 3.139 3.574 -5.563 537 HB2 CYS 75 1HB CYS 75 3.780 5.951 -5.824 538 HB3 CYS 75 2HB CYS 75 2.850 5.665 -4.357 539 H GLU 76 H GLU 76 4.337 4.235 -7.519 540 HA GLU 76 HA GLU 76 6.472 2.627 -8.094 541 HB2 GLU 76 1HB GLU 76 5.060 3.965 -9.714 542 HB3 GLU 76 2HB GLU 76 6.083 5.346 -9.344 543 HG2 GLU 76 1HG GLU 76 8.039 3.864 -10.037 544 HG3 GLU 76 2HG GLU 76 6.820 2.793 -10.727 545 H THR 77 H THR 77 6.546 5.914 -6.815 546 HA THR 77 HA THR 77 9.328 6.319 -7.009 547 HB THR 77 HB THR 77 7.383 7.523 -5.029 548 HG1 THR 77 1HG THR 77 7.307 7.784 -7.550 549 HG21 THR 77 1HG2 THR 77 10.163 7.658 -5.036 550 HG22 THR 77 2HG2 THR 77 9.058 8.746 -4.197 551 HG23 THR 77 3HG2 THR 77 9.646 9.156 -5.808 552 H HIS 78 H HIS 78 7.513 5.833 -3.979 553 HA HIS 78 HA HIS 78 9.715 5.155 -2.419 554 HB2 HIS 78 1HB HIS 78 6.771 4.634 -2.162 555 HB3 HIS 78 2HB HIS 78 7.894 3.940 -0.996 556 HD2 HIS 78 2HD HIS 78 9.773 6.362 -0.226 557 HE1 HIS 78 1HE HIS 78 6.237 8.660 0.237 558 HE2 HIS 78 2HE HIS 78 8.712 8.535 0.690 559 H ALA 79 H ALA 79 7.300 2.939 -3.830 560 HA ALA 79 HA ALA 79 8.312 0.525 -3.100 561 HB1 ALA 79 1HB ALA 79 6.267 0.741 -4.380 562 HB2 ALA 79 2HB ALA 79 7.181 1.241 -5.803 563 HB3 ALA 79 3HB ALA 79 7.357 -0.396 -5.172 564 H ARG 80 H ARG 80 9.249 2.266 -6.072 565 HA ARG 80 HA ARG 80 11.162 0.550 -7.030 566 HB2 ARG 80 1HB ARG 80 10.803 3.507 -7.166 567 HB3 ARG 80 2HB ARG 80 12.322 2.830 -7.737 568 HG2 ARG 80 1HG ARG 80 11.021 1.339 -9.242 569 HG3 ARG 80 2HG ARG 80 9.560 2.196 -8.746 570 HD2 ARG 80 1HD ARG 80 10.261 4.197 -9.741 571 HD3 ARG 80 2HD ARG 80 11.935 3.656 -9.853 572 HE ARG 80 HE ARG 80 10.293 1.964 -11.391 573 HH11 ARG 80 2HH1 ARG 80 11.575 5.201 -11.373 574 HH12 ARG 80 1HH1 ARG 80 11.563 5.355 -13.099 575 HH21 ARG 80 2HH2 ARG 80 10.274 2.154 -13.664 576 HH22 ARG 80 1HH2 ARG 80 10.822 3.622 -14.401 577 H ALA 81 H ALA 81 11.536 3.024 -4.529 578 HA ALA 81 HA ALA 81 14.326 2.734 -4.191 579 HB1 ALA 81 1HB ALA 81 13.682 3.680 -1.822 580 HB2 ALA 81 2HB ALA 81 13.574 4.688 -3.266 581 HB3 ALA 81 3HB ALA 81 12.121 3.943 -2.600 582 H ARG 82 H ARG 82 11.588 0.959 -2.966 583 HA ARG 82 HA ARG 82 13.121 -0.426 -0.947 584 HB2 ARG 82 1HB ARG 82 10.352 -1.059 -1.978 585 HB3 ARG 82 2HB ARG 82 11.079 -1.636 -0.484 586 HG2 ARG 82 1HG ARG 82 10.889 0.432 0.555 587 HG3 ARG 82 2HG ARG 82 10.716 1.292 -0.976 588 HD2 ARG 82 1HD ARG 82 8.556 1.296 -0.125 589 HD3 ARG 82 2HD ARG 82 8.544 -0.071 -1.238 590 HE ARG 82 HE ARG 82 8.060 -1.399 0.542 591 HH11 ARG 82 2HH1 ARG 82 9.724 1.428 1.710 592 HH12 ARG 82 1HH1 ARG 82 9.597 0.974 3.377 593 HH21 ARG 82 2HH2 ARG 82 7.887 -2.008 2.733 594 HH22 ARG 82 1HH2 ARG 82 8.552 -0.981 3.958 595 H THR 83 H THR 83 11.342 -1.483 -3.856 596 HA THR 83 HA THR 83 12.549 -4.054 -3.900 597 HB THR 83 HB THR 83 10.427 -3.835 -4.962 598 HG1 THR 83 1HG THR 83 12.557 -4.202 -6.809 599 HG21 THR 83 1HG2 THR 83 10.805 -2.351 -7.285 600 HG22 THR 83 2HG2 THR 83 11.579 -1.396 -6.020 601 HG23 THR 83 3HG2 THR 83 9.886 -1.863 -5.862 602 H SER 84 H SER 84 13.312 -0.978 -5.403 603 HA SER 84 HA SER 84 14.962 -0.356 -6.876 604 HB2 SER 84 1HB SER 84 17.150 -0.679 -5.984 605 HB3 SER 84 2HB SER 84 16.061 -0.614 -4.599 606 HG SER 84 HG SER 84 16.901 -3.032 -5.816 607 H GLY 85 H GLY 85 13.483 -2.706 -7.721 608 HA2 GLY 85 1HA GLY 85 15.588 -4.221 -9.127 609 HA3 GLY 85 2HA GLY 85 13.962 -4.812 -8.817 610 HA PRO 86 HA PRO 86 12.549 -3.407 -12.716 611 HB2 PRO 86 1HB PRO 86 10.149 -2.261 -12.174 612 HB3 PRO 86 2HB PRO 86 10.419 -4.006 -12.096 613 HG2 PRO 86 1HG PRO 86 10.360 -1.998 -9.877 614 HG3 PRO 86 2HG PRO 86 9.645 -3.620 -9.938 615 HD2 PRO 86 1HD PRO 86 11.980 -3.105 -8.669 616 HD3 PRO 86 2HD PRO 86 11.647 -4.658 -9.462 617 H SER 87 H SER 87 14.197 -1.475 -11.093 618 HA SER 87 HA SER 87 13.547 0.889 -12.677 619 HB2 SER 87 1HB SER 87 13.922 2.353 -10.658 620 HB3 SER 87 2HB SER 87 12.435 1.406 -10.611 621 HG SER 87 HG SER 87 13.757 1.406 -8.645 622 H SER 88 H SER 88 15.325 2.463 -12.723 623 HA SER 88 HA SER 88 17.749 1.359 -13.398 624 HB2 SER 88 1HB SER 88 18.691 3.654 -13.145 625 HB3 SER 88 2HB SER 88 17.171 3.626 -14.038 626 HG SER 88 HG SER 88 16.669 5.118 -12.623 627 H GLY 89 H GLY 89 17.044 3.070 -10.343 628 HA2 GLY 89 1HA GLY 89 19.335 1.644 -9.145 629 HA3 GLY 89 2HA GLY 89 18.743 3.209 -8.606 Start of MODEL 18 1 H1 GLY 1 H GLY 1 20.442 2.747 15.659 2 HA2 GLY 1 1HA GLY 1 20.526 -0.189 15.977 3 HA3 GLY 1 2HA GLY 1 21.239 0.889 17.169 4 H SER 2 H SER 2 18.969 -1.126 17.212 5 HA SER 2 HA SER 2 17.241 0.431 18.908 6 HB2 SER 2 1HB SER 2 16.113 -0.819 16.391 7 HB3 SER 2 2HB SER 2 15.159 -0.105 17.690 8 HG SER 2 HG SER 2 15.462 1.738 16.753 9 H SER 3 H SER 3 15.590 -0.933 19.973 10 HA SER 3 HA SER 3 16.128 -3.805 19.868 11 HB2 SER 3 1HB SER 3 16.693 -2.003 22.173 12 HB3 SER 3 2HB SER 3 16.008 -3.589 22.527 13 HG SER 3 HG SER 3 17.871 -4.444 22.100 14 H GLY 4 H GLY 4 14.468 -5.107 20.808 15 HA2 GLY 4 1HA GLY 4 12.094 -3.914 21.888 16 HA3 GLY 4 2HA GLY 4 11.886 -4.413 20.216 17 H SER 5 H SER 5 10.200 -5.757 21.344 18 HA SER 5 HA SER 5 11.201 -8.436 21.604 19 HB2 SER 5 1HB SER 5 10.210 -6.929 24.003 20 HB3 SER 5 2HB SER 5 9.943 -8.668 23.885 21 HG SER 5 HG SER 5 12.001 -9.009 24.219 22 H SER 6 H SER 6 9.346 -9.986 22.073 23 HA SER 6 HA SER 6 6.714 -8.976 21.376 24 HB2 SER 6 1HB SER 6 8.052 -9.491 19.225 25 HB3 SER 6 2HB SER 6 7.857 -11.185 19.677 26 HG SER 6 HG SER 6 6.093 -10.834 18.501 27 H GLY 7 H GLY 7 5.034 -10.363 21.943 28 HA2 GLY 7 1HA GLY 7 5.779 -12.942 23.139 29 HA3 GLY 7 2HA GLY 7 4.902 -11.774 24.116 30 H VAL 8 H VAL 8 4.254 -14.523 23.011 31 HA VAL 8 HA VAL 8 1.567 -13.818 22.094 32 HB VAL 8 HB VAL 8 3.327 -15.824 20.679 33 HG11 VAL 8 1HG1 VAL 8 0.877 -15.255 19.324 34 HG12 VAL 8 2HG1 VAL 8 1.489 -16.803 19.909 35 HG13 VAL 8 3HG1 VAL 8 0.524 -15.776 20.970 36 HG21 VAL 8 1HG2 VAL 8 3.942 -13.664 19.947 37 HG22 VAL 8 2HG2 VAL 8 2.851 -14.296 18.714 38 HG23 VAL 8 3HG2 VAL 8 2.265 -13.122 19.892 39 H ARG 9 H ARG 9 0.265 -14.700 23.554 40 HA ARG 9 HA ARG 9 0.479 -17.530 24.146 41 HB2 ARG 9 1HB ARG 9 0.597 -17.317 26.521 42 HB3 ARG 9 2HB ARG 9 1.909 -16.358 25.849 43 HG2 ARG 9 1HG ARG 9 -0.720 -15.114 26.567 44 HG3 ARG 9 2HG ARG 9 0.545 -15.367 27.771 45 HD2 ARG 9 1HD ARG 9 2.043 -13.939 26.646 46 HD3 ARG 9 2HD ARG 9 1.065 -13.941 25.179 47 HE ARG 9 HE ARG 9 -0.307 -12.336 26.112 48 HH11 ARG 9 2HH1 ARG 9 1.920 -13.551 28.495 49 HH12 ARG 9 1HH1 ARG 9 1.564 -12.310 29.651 50 HH21 ARG 9 2HH2 ARG 9 -0.786 -10.698 27.625 51 HH22 ARG 9 1HH2 ARG 9 0.024 -10.688 29.155 52 H ALA 10 H ALA 10 -1.469 -18.453 24.573 53 HA ALA 10 HA ALA 10 -3.762 -16.687 25.073 54 HB1 ALA 10 1HB ALA 10 -3.349 -17.521 22.589 55 HB2 ALA 10 2HB ALA 10 -4.179 -18.952 23.203 56 HB3 ALA 10 3HB ALA 10 -4.969 -17.376 23.271 57 HA PRO 11 HA PRO 11 -4.312 -19.833 28.194 58 HB2 PRO 11 1HB PRO 11 -6.478 -18.676 29.353 59 HB3 PRO 11 2HB PRO 11 -4.825 -18.111 29.626 60 HG2 PRO 11 1HG PRO 11 -6.917 -17.026 27.780 61 HG3 PRO 11 2HG PRO 11 -5.800 -16.150 28.843 62 HD2 PRO 11 1HD PRO 11 -5.369 -16.422 26.184 63 HD3 PRO 11 2HD PRO 11 -4.044 -16.340 27.362 64 H VAL 12 H VAL 12 -6.257 -21.110 28.992 65 HA VAL 12 HA VAL 12 -7.879 -21.872 26.666 66 HB VAL 12 HB VAL 12 -6.524 -23.666 27.629 67 HG11 VAL 12 1HG1 VAL 12 -6.812 -24.465 29.857 68 HG12 VAL 12 2HG1 VAL 12 -6.531 -22.726 29.953 69 HG13 VAL 12 3HG1 VAL 12 -8.163 -23.368 30.139 70 HG21 VAL 12 1HG2 VAL 12 -8.660 -25.111 28.377 71 HG22 VAL 12 2HG2 VAL 12 -9.477 -23.754 27.602 72 HG23 VAL 12 3HG2 VAL 12 -8.303 -24.709 26.697 73 H THR 13 H THR 13 -9.913 -21.211 26.615 74 HA THR 13 HA THR 13 -11.650 -21.446 28.873 75 HB THR 13 HB THR 13 -10.541 -19.317 29.450 76 HG1 THR 13 1HG THR 13 -12.981 -19.805 29.620 77 HG21 THR 13 1HG2 THR 13 -9.895 -18.342 27.427 78 HG22 THR 13 2HG2 THR 13 -11.239 -17.331 27.957 79 HG23 THR 13 3HG2 THR 13 -11.491 -18.550 26.709 80 H LYS 14 H LYS 14 -13.874 -20.948 28.350 81 HA LYS 14 HA LYS 14 -14.384 -21.234 25.479 82 HB2 LYS 14 1HB LYS 14 -16.036 -21.821 27.930 83 HB3 LYS 14 2HB LYS 14 -16.735 -21.807 26.316 84 HG2 LYS 14 1HG LYS 14 -15.682 -23.728 25.689 85 HG3 LYS 14 2HG LYS 14 -14.312 -23.462 26.770 86 HD2 LYS 14 1HD LYS 14 -15.497 -25.278 27.693 87 HD3 LYS 14 2HD LYS 14 -15.934 -23.883 28.682 88 HE2 LYS 14 1HE LYS 14 -17.901 -25.213 28.171 89 HE3 LYS 14 2HE LYS 14 -18.007 -23.633 27.397 90 HZ1 LYS 14 1HZ LYS 14 -16.874 -25.868 25.874 91 HZ2 LYS 14 2HZ LYS 14 -17.747 -24.526 25.328 92 HZ3 LYS 14 3HZ LYS 14 -18.552 -25.808 26.084 93 H VAL 15 H VAL 15 -16.270 -20.104 24.564 94 HA VAL 15 HA VAL 15 -16.920 -17.576 25.899 95 HB VAL 15 HB VAL 15 -16.613 -16.321 23.808 96 HG11 VAL 15 1HG1 VAL 15 -14.084 -16.459 23.751 97 HG12 VAL 15 2HG1 VAL 15 -14.814 -16.164 25.330 98 HG13 VAL 15 3HG1 VAL 15 -14.225 -17.775 24.916 99 HG21 VAL 15 1HG2 VAL 15 -15.243 -17.402 21.998 100 HG22 VAL 15 2HG2 VAL 15 -15.550 -18.949 22.789 101 HG23 VAL 15 3HG2 VAL 15 -16.894 -18.004 22.149 102 H HIS 16 H HIS 16 -18.749 -16.437 24.812 103 HA HIS 16 HA HIS 16 -20.541 -18.285 23.393 104 HB2 HIS 16 1HB HIS 16 -20.904 -17.728 26.023 105 HB3 HIS 16 2HB HIS 16 -21.831 -16.421 25.292 106 HD1 HIS 16 1HD HIS 16 -23.357 -18.473 26.874 107 HD2 HIS 16 2HD HIS 16 -22.600 -18.875 22.809 108 HE1 HIS 16 1HE HIS 16 -25.125 -20.040 26.013 109 HE2 HIS 16 2HE HIS 16 -24.595 -20.336 23.568 110 H GLY 17 H GLY 17 -21.976 -17.339 21.936 111 HA2 GLY 17 1HA GLY 17 -23.012 -15.535 20.821 112 HA3 GLY 17 2HA GLY 17 -21.904 -14.432 21.623 113 H GLY 18 H GLY 18 -22.513 -14.364 18.862 114 HA2 GLY 18 1HA GLY 18 -19.986 -14.077 17.738 115 HA3 GLY 18 2HA GLY 18 -20.549 -15.682 17.297 116 H ALA 19 H ALA 19 -20.041 -13.191 15.706 117 HA ALA 19 HA ALA 19 -22.491 -13.335 14.144 118 HB1 ALA 19 1HB ALA 19 -22.459 -10.779 13.950 119 HB2 ALA 19 2HB ALA 19 -23.124 -11.487 15.423 120 HB3 ALA 19 3HB ALA 19 -21.494 -10.814 15.427 121 H GLY 20 H GLY 20 -21.750 -13.904 12.206 122 HA2 GLY 20 1HA GLY 20 -19.476 -12.386 11.099 123 HA3 GLY 20 2HA GLY 20 -19.526 -14.138 10.971 124 H SER 21 H SER 21 -20.334 -14.949 9.158 125 HA SER 21 HA SER 21 -21.421 -15.134 7.168 126 HB2 SER 21 1HB SER 21 -23.261 -13.135 8.495 127 HB3 SER 21 2HB SER 21 -23.596 -13.881 6.933 128 HG SER 21 HG SER 21 -23.219 -15.244 9.395 129 H ALA 22 H ALA 22 -19.195 -13.489 7.219 130 HA ALA 22 HA ALA 22 -19.944 -11.318 5.370 131 HB1 ALA 22 1HB ALA 22 -18.448 -11.180 7.721 132 HB2 ALA 22 2HB ALA 22 -17.272 -11.055 6.412 133 HB3 ALA 22 3HB ALA 22 -18.626 -9.927 6.492 134 H GLN 23 H GLN 23 -19.222 -14.281 4.992 135 HA GLN 23 HA GLN 23 -16.768 -14.163 3.471 136 HB2 GLN 23 1HB GLN 23 -18.685 -16.284 4.286 137 HB3 GLN 23 2HB GLN 23 -17.730 -16.576 2.839 138 HG2 GLN 23 1HG GLN 23 -15.683 -16.301 4.080 139 HG3 GLN 23 2HG GLN 23 -16.586 -15.866 5.530 140 HE21 GLN 23 1HE2 GLN 23 -16.711 -18.463 3.108 141 HE22 GLN 23 2HE2 GLN 23 -16.772 -19.756 4.251 142 H ARG 24 H ARG 24 -19.396 -12.709 2.756 143 HA ARG 24 HA ARG 24 -19.785 -13.787 0.057 144 HB2 ARG 24 1HB ARG 24 -21.371 -11.758 1.641 145 HB3 ARG 24 2HB ARG 24 -21.734 -12.226 -0.015 146 HG2 ARG 24 1HG ARG 24 -22.044 -14.557 0.757 147 HG3 ARG 24 2HG ARG 24 -21.801 -14.000 2.414 148 HD2 ARG 24 1HD ARG 24 -23.967 -13.056 0.539 149 HD3 ARG 24 2HD ARG 24 -24.180 -14.210 1.855 150 HE ARG 24 HE ARG 24 -23.204 -12.115 3.170 151 HH11 ARG 24 2HH1 ARG 24 -25.682 -12.305 0.733 152 HH12 ARG 24 1HH1 ARG 24 -26.565 -10.943 1.339 153 HH21 ARG 24 2HH2 ARG 24 -24.357 -10.320 3.977 154 HH22 ARG 24 1HH2 ARG 24 -25.810 -9.814 3.183 155 H MET 25 H MET 25 -17.708 -11.770 1.435 156 HA MET 25 HA MET 25 -17.075 -10.423 -0.987 157 HB2 MET 25 1HB MET 25 -17.632 -8.214 -0.522 158 HB3 MET 25 2HB MET 25 -19.038 -9.092 0.065 159 HG2 MET 25 1HG MET 25 -16.787 -7.951 1.698 160 HG3 MET 25 2HG MET 25 -18.465 -7.414 1.658 161 HE1 MET 25 1HE MET 25 -16.047 -8.843 3.771 162 HE2 MET 25 2HE MET 25 -17.310 -7.865 4.520 163 HE3 MET 25 3HE MET 25 -17.071 -9.538 5.028 164 HA PRO 26 HA PRO 26 -13.120 -10.350 0.916 165 HB2 PRO 26 1HB PRO 26 -11.959 -8.259 -0.367 166 HB3 PRO 26 2HB PRO 26 -12.269 -9.813 -1.150 167 HG2 PRO 26 1HG PRO 26 -13.850 -7.275 -1.286 168 HG3 PRO 26 2HG PRO 26 -13.421 -8.397 -2.590 169 HD2 PRO 26 1HD PRO 26 -15.862 -8.391 -1.417 170 HD3 PRO 26 2HD PRO 26 -15.109 -9.870 -2.048 171 H LEU 27 H LEU 27 -11.912 -9.333 2.509 172 HA LEU 27 HA LEU 27 -13.220 -7.029 3.770 173 HB2 LEU 27 1HB LEU 27 -12.552 -9.370 4.876 174 HB3 LEU 27 2HB LEU 27 -11.046 -8.495 5.146 175 HG LEU 27 HG LEU 27 -12.416 -8.340 7.113 176 HD11 LEU 27 1HD1 LEU 27 -12.929 -5.633 6.139 177 HD12 LEU 27 2HD1 LEU 27 -11.292 -6.209 5.831 178 HD13 LEU 27 3HD1 LEU 27 -11.924 -6.190 7.477 179 HD21 LEU 27 1HD2 LEU 27 -14.563 -8.618 5.627 180 HD22 LEU 27 2HD2 LEU 27 -14.558 -6.855 5.668 181 HD23 LEU 27 3HD2 LEU 27 -14.636 -7.773 7.173 182 H CYS 28 H CYS 28 -12.348 -5.102 3.452 183 HA CYS 28 HA CYS 28 -9.993 -4.560 2.118 184 HB2 CYS 28 1HB CYS 28 -11.814 -2.920 2.547 185 HB3 CYS 28 2HB CYS 28 -11.282 -2.810 4.222 186 H ASP 29 H ASP 29 -7.904 -4.625 2.626 187 HA ASP 29 HA ASP 29 -7.112 -5.434 5.284 188 HB2 ASP 29 1HB ASP 29 -6.135 -6.212 2.987 189 HB3 ASP 29 2HB ASP 29 -5.170 -4.743 3.106 190 H LYS 30 H LYS 30 -7.890 -2.540 4.055 191 HA LYS 30 HA LYS 30 -5.718 -1.052 5.338 192 HB2 LYS 30 1HB LYS 30 -6.421 -0.397 3.052 193 HB3 LYS 30 2HB LYS 30 -8.027 -0.033 3.671 194 HG2 LYS 30 1HG LYS 30 -7.200 2.054 3.781 195 HG3 LYS 30 2HG LYS 30 -6.554 1.485 5.322 196 HD2 LYS 30 1HD LYS 30 -4.459 0.846 4.126 197 HD3 LYS 30 2HD LYS 30 -5.113 1.609 2.675 198 HE2 LYS 30 1HE LYS 30 -3.595 3.106 3.878 199 HE3 LYS 30 2HE LYS 30 -5.237 3.745 3.834 200 HZ1 LYS 30 1HZ LYS 30 -3.856 3.713 6.041 201 HZ2 LYS 30 2HZ LYS 30 -4.438 2.128 6.142 202 HZ3 LYS 30 3HZ LYS 30 -5.523 3.423 6.057 203 H CYS 31 H CYS 31 -9.286 -1.012 5.259 204 HA CYS 31 HA CYS 31 -9.239 0.055 8.004 205 HB2 CYS 31 1HB CYS 31 -11.436 1.014 7.552 206 HB3 CYS 31 2HB CYS 31 -10.274 1.563 6.349 207 H GLY 32 H GLY 32 -9.301 -2.796 6.762 208 HA2 GLY 32 1HA GLY 32 -10.491 -4.773 7.059 209 HA3 GLY 32 2HA GLY 32 -10.353 -4.261 8.734 210 H SER 33 H SER 33 -12.321 -3.106 5.998 211 HA SER 33 HA SER 33 -14.717 -3.648 7.621 212 HB2 SER 33 1HB SER 33 -15.435 -1.516 7.472 213 HB3 SER 33 2HB SER 33 -13.777 -1.123 7.019 214 HG SER 33 HG SER 33 -16.032 -1.029 5.527 215 H GLY 34 H GLY 34 -16.180 -4.885 6.643 216 HA2 GLY 34 1HA GLY 34 -15.969 -6.307 4.403 217 HA3 GLY 34 2HA GLY 34 -17.529 -5.677 4.914 218 H ILE 35 H ILE 35 -16.165 -6.143 2.227 219 HA ILE 35 HA ILE 35 -16.471 -3.419 1.150 220 HB ILE 35 HB ILE 35 -15.055 -5.784 -0.087 221 HG12 ILE 35 1HG1 ILE 35 -13.762 -3.230 0.829 222 HG13 ILE 35 2HG1 ILE 35 -14.034 -4.551 1.960 223 HG21 ILE 35 1HG2 ILE 35 -16.218 -3.765 -1.441 224 HG22 ILE 35 2HG2 ILE 35 -14.633 -3.061 -1.126 225 HG23 ILE 35 3HG2 ILE 35 -14.761 -4.598 -1.982 226 HD11 ILE 35 1HD1 ILE 35 -12.450 -4.738 -0.592 227 HD12 ILE 35 2HD1 ILE 35 -11.778 -4.579 1.031 228 HD13 ILE 35 3HD1 ILE 35 -12.684 -6.026 0.590 229 H VAL 36 H VAL 36 -18.103 -2.986 -0.193 230 HA VAL 36 HA VAL 36 -19.328 -5.039 -1.811 231 HB VAL 36 HB VAL 36 -20.584 -5.463 0.173 232 HG11 VAL 36 1HG1 VAL 36 -21.987 -3.348 1.000 233 HG12 VAL 36 2HG1 VAL 36 -20.406 -3.761 1.664 234 HG13 VAL 36 3HG1 VAL 36 -20.545 -2.513 0.425 235 HG21 VAL 36 1HG2 VAL 36 -21.840 -4.167 -2.120 236 HG22 VAL 36 2HG2 VAL 36 -22.254 -5.674 -1.302 237 HG23 VAL 36 3HG2 VAL 36 -22.834 -4.136 -0.663 238 H GLY 37 H GLY 37 -19.894 -4.170 -3.699 239 HA2 GLY 37 1HA GLY 37 -21.171 -2.503 -4.919 240 HA3 GLY 37 2HA GLY 37 -20.608 -1.307 -3.760 241 H ALA 38 H ALA 38 -17.950 -1.647 -3.656 242 HA ALA 38 HA ALA 38 -16.848 -1.819 -6.329 243 HB1 ALA 38 1HB ALA 38 -17.772 0.642 -5.517 244 HB2 ALA 38 2HB ALA 38 -16.050 0.714 -5.139 245 HB3 ALA 38 3HB ALA 38 -16.578 0.349 -6.782 246 H VAL 39 H VAL 39 -14.899 -2.717 -6.205 247 HA VAL 39 HA VAL 39 -13.252 -2.241 -3.820 248 HB VAL 39 HB VAL 39 -14.552 -4.526 -3.903 249 HG11 VAL 39 1HG1 VAL 39 -12.116 -5.505 -5.290 250 HG12 VAL 39 2HG1 VAL 39 -13.737 -6.199 -5.220 251 HG13 VAL 39 3HG1 VAL 39 -13.410 -4.826 -6.278 252 HG21 VAL 39 1HG2 VAL 39 -12.871 -5.501 -2.538 253 HG22 VAL 39 2HG2 VAL 39 -11.599 -4.557 -3.313 254 HG23 VAL 39 3HG2 VAL 39 -12.784 -3.758 -2.280 255 H VAL 40 H VAL 40 -10.964 -2.887 -4.150 256 HA VAL 40 HA VAL 40 -10.142 -2.829 -6.970 257 HB VAL 40 HB VAL 40 -9.002 -1.071 -4.794 258 HG11 VAL 40 1HG1 VAL 40 -7.385 -0.310 -6.334 259 HG12 VAL 40 2HG1 VAL 40 -7.350 -2.071 -6.439 260 HG13 VAL 40 3HG1 VAL 40 -8.171 -1.128 -7.683 261 HG21 VAL 40 1HG2 VAL 40 -10.953 -0.025 -5.528 262 HG22 VAL 40 2HG2 VAL 40 -9.690 0.717 -6.510 263 HG23 VAL 40 3HG2 VAL 40 -10.716 -0.542 -7.198 264 H LYS 41 H LYS 41 -9.304 -4.837 -7.114 265 HA LYS 41 HA LYS 41 -7.358 -5.676 -5.073 266 HB2 LYS 41 1HB LYS 41 -8.806 -7.440 -5.108 267 HB3 LYS 41 2HB LYS 41 -9.312 -7.131 -6.764 268 HG2 LYS 41 1HG LYS 41 -6.952 -7.962 -7.397 269 HG3 LYS 41 2HG LYS 41 -6.936 -8.647 -5.770 270 HD2 LYS 41 1HD LYS 41 -9.321 -9.533 -6.550 271 HD3 LYS 41 2HD LYS 41 -8.564 -9.393 -8.138 272 HE2 LYS 41 1HE LYS 41 -6.600 -10.675 -7.037 273 HE3 LYS 41 2HE LYS 41 -7.789 -11.117 -5.814 274 HZ1 LYS 41 1HZ LYS 41 -7.477 -12.095 -8.491 275 HZ2 LYS 41 2HZ LYS 41 -9.066 -11.624 -8.155 276 HZ3 LYS 41 3HZ LYS 41 -8.302 -12.778 -7.182 277 H ALA 42 H ALA 42 -5.277 -5.694 -5.593 278 HA ALA 42 HA ALA 42 -4.447 -5.098 -8.289 279 HB1 ALA 42 1HB ALA 42 -2.123 -5.321 -7.184 280 HB2 ALA 42 2HB ALA 42 -3.165 -3.977 -6.714 281 HB3 ALA 42 3HB ALA 42 -3.027 -5.392 -5.671 282 H ARG 43 H ARG 43 -2.915 -7.461 -6.146 283 HA ARG 43 HA ARG 43 -2.722 -9.301 -8.415 284 HB2 ARG 43 1HB ARG 43 -0.770 -8.511 -6.797 285 HB3 ARG 43 2HB ARG 43 -1.369 -9.840 -5.814 286 HG2 ARG 43 1HG ARG 43 -0.734 -11.436 -7.338 287 HG3 ARG 43 2HG ARG 43 -0.794 -10.313 -8.698 288 HD2 ARG 43 1HD ARG 43 1.175 -9.132 -7.566 289 HD3 ARG 43 2HD ARG 43 1.317 -10.587 -6.580 290 HE ARG 43 HE ARG 43 1.366 -10.811 -9.504 291 HH11 ARG 43 2HH1 ARG 43 2.957 -11.108 -6.422 292 HH12 ARG 43 1HH1 ARG 43 4.297 -12.007 -7.053 293 HH21 ARG 43 2HH2 ARG 43 3.124 -11.994 -10.347 294 HH22 ARG 43 1HH2 ARG 43 4.391 -12.510 -9.286 295 H ASP 44 H ASP 44 -2.868 -9.982 -4.937 296 HA ASP 44 HA ASP 44 -5.104 -11.825 -5.480 297 HB2 ASP 44 1HB ASP 44 -3.060 -13.064 -4.976 298 HB3 ASP 44 2HB ASP 44 -2.851 -12.147 -3.486 299 H LYS 45 H LYS 45 -3.827 -9.298 -3.503 300 HA LYS 45 HA LYS 45 -5.842 -9.582 -1.443 301 HB2 LYS 45 1HB LYS 45 -3.506 -7.788 -1.916 302 HB3 LYS 45 2HB LYS 45 -4.783 -7.222 -0.848 303 HG2 LYS 45 1HG LYS 45 -4.434 -9.636 0.207 304 HG3 LYS 45 2HG LYS 45 -2.822 -9.407 -0.476 305 HD2 LYS 45 1HD LYS 45 -4.189 -7.397 1.308 306 HD3 LYS 45 2HD LYS 45 -3.081 -8.639 1.897 307 HE2 LYS 45 1HE LYS 45 -2.200 -6.864 -0.328 308 HE3 LYS 45 2HE LYS 45 -2.236 -6.213 1.310 309 HZ1 LYS 45 1HZ LYS 45 -0.774 -7.961 2.034 310 HZ2 LYS 45 2HZ LYS 45 -0.073 -7.165 0.717 311 HZ3 LYS 45 3HZ LYS 45 -0.794 -8.680 0.502 312 H TYR 46 H TYR 46 -7.173 -7.638 -0.847 313 HA TYR 46 HA TYR 46 -8.085 -6.194 -3.245 314 HB2 TYR 46 1HB TYR 46 -9.837 -7.394 -1.090 315 HB3 TYR 46 2HB TYR 46 -10.404 -6.409 -2.433 316 HD1 TYR 46 1HD TYR 46 -8.273 -9.447 -1.934 317 HD2 TYR 46 2HD TYR 46 -11.340 -7.554 -4.195 318 HE1 TYR 46 1HE TYR 46 -8.496 -11.470 -3.315 319 HE2 TYR 46 2HE TYR 46 -11.572 -9.572 -5.581 320 HH TYR 46 HH TYR 46 -9.819 -11.603 -6.181 321 H ARG 47 H ARG 47 -8.845 -4.097 -2.932 322 HA ARG 47 HA ARG 47 -8.784 -2.974 -0.245 323 HB2 ARG 47 1HB ARG 47 -7.064 -1.906 -2.491 324 HB3 ARG 47 2HB ARG 47 -7.287 -1.137 -0.925 325 HG2 ARG 47 1HG ARG 47 -6.318 -3.938 -0.953 326 HG3 ARG 47 2HG ARG 47 -5.201 -2.671 -1.463 327 HD2 ARG 47 1HD ARG 47 -5.705 -1.468 0.659 328 HD3 ARG 47 2HD ARG 47 -6.661 -2.859 1.167 329 HE ARG 47 HE ARG 47 -4.688 -4.106 1.400 330 HH11 ARG 47 2HH1 ARG 47 -4.077 -0.848 0.335 331 HH12 ARG 47 1HH1 ARG 47 -2.390 -0.898 0.725 332 HH21 ARG 47 2HH2 ARG 47 -2.467 -4.184 1.917 333 HH22 ARG 47 1HH2 ARG 47 -1.475 -2.796 1.624 334 H HIS 48 H HIS 48 -10.059 -1.166 0.006 335 HA HIS 48 HA HIS 48 -12.229 -0.815 -1.690 336 HB2 HIS 48 1HB HIS 48 -11.054 0.772 0.549 337 HB3 HIS 48 2HB HIS 48 -12.306 1.521 -0.439 338 HD2 HIS 48 2HD HIS 48 -14.455 -0.835 -0.700 339 HE1 HIS 48 1HE HIS 48 -14.168 -1.167 3.519 340 HE2 HIS 48 2HE HIS 48 -15.490 -1.791 1.469 341 HA PRO 49 HA PRO 49 -11.010 1.870 -4.935 342 HB2 PRO 49 1HB PRO 49 -13.098 3.596 -5.118 343 HB3 PRO 49 2HB PRO 49 -13.203 1.904 -5.620 344 HG2 PRO 49 1HG PRO 49 -14.116 3.184 -3.073 345 HG3 PRO 49 2HG PRO 49 -14.941 1.978 -4.077 346 HD2 PRO 49 1HD PRO 49 -13.608 1.323 -1.813 347 HD3 PRO 49 2HD PRO 49 -13.713 0.231 -3.209 348 H GLU 50 H GLU 50 -11.421 3.090 -1.787 349 HA GLU 50 HA GLU 50 -10.121 5.624 -2.549 350 HB2 GLU 50 1HB GLU 50 -11.105 6.607 -0.514 351 HB3 GLU 50 2HB GLU 50 -12.334 6.031 -1.631 352 HG2 GLU 50 1HG GLU 50 -12.400 3.914 -0.237 353 HG3 GLU 50 2HG GLU 50 -11.452 4.799 0.957 354 H CYS 51 H CYS 51 -10.087 2.835 -0.470 355 HA CYS 51 HA CYS 51 -8.082 3.756 1.328 356 HB2 CYS 51 1HB CYS 51 -9.082 0.993 0.632 357 HB3 CYS 51 2HB CYS 51 -7.854 1.288 1.859 358 H PHE 52 H PHE 52 -8.040 2.077 -1.749 359 HA PHE 52 HA PHE 52 -5.464 1.093 -1.812 360 HB2 PHE 52 1HB PHE 52 -7.449 1.127 -3.597 361 HB3 PHE 52 2HB PHE 52 -6.473 2.424 -4.277 362 HD1 PHE 52 2HD PHE 52 -5.476 -0.755 -2.616 363 HD2 PHE 52 1HD PHE 52 -5.471 1.580 -6.174 364 HE1 PHE 52 2HE PHE 52 -4.029 -2.422 -3.704 365 HE2 PHE 52 1HE PHE 52 -4.025 -0.083 -7.268 366 HZ PHE 52 HZ PHE 52 -3.301 -2.086 -6.032 367 H VAL 53 H VAL 53 -3.791 2.247 -1.034 368 HA VAL 53 HA VAL 53 -2.827 4.470 -2.580 369 HB VAL 53 HB VAL 53 -2.701 6.096 -0.791 370 HG11 VAL 53 1HG1 VAL 53 -5.053 6.680 -0.600 371 HG12 VAL 53 2HG1 VAL 53 -4.695 6.091 -2.225 372 HG13 VAL 53 3HG1 VAL 53 -5.514 5.043 -1.066 373 HG21 VAL 53 1HG2 VAL 53 -3.898 3.888 0.838 374 HG22 VAL 53 2HG2 VAL 53 -2.504 4.909 1.195 375 HG23 VAL 53 3HG2 VAL 53 -4.135 5.574 1.300 376 H CYS 54 H CYS 54 -0.758 5.374 -1.480 377 HA CYS 54 HA CYS 54 1.007 3.187 -1.095 378 HB2 CYS 54 1HB CYS 54 1.593 5.425 -2.117 379 HB3 CYS 54 2HB CYS 54 1.583 6.089 -0.486 380 H ALA 55 H ALA 55 2.594 3.183 0.794 381 HA ALA 55 HA ALA 55 1.040 3.358 3.284 382 HB1 ALA 55 1HB ALA 55 2.724 1.732 4.167 383 HB2 ALA 55 2HB ALA 55 1.731 1.120 2.843 384 HB3 ALA 55 3HB ALA 55 3.391 1.631 2.537 385 H ASP 56 H ASP 56 3.516 4.870 1.605 386 HA ASP 56 HA ASP 56 4.765 5.879 4.069 387 HB2 ASP 56 1HB ASP 56 6.141 4.822 2.139 388 HB3 ASP 56 2HB ASP 56 5.849 6.346 1.305 389 H CYS 57 H CYS 57 3.252 6.867 1.039 390 HA CYS 57 HA CYS 57 3.018 9.597 2.126 391 HB2 CYS 57 1HB CYS 57 2.862 10.361 -0.236 392 HB3 CYS 57 2HB CYS 57 4.409 9.613 0.147 393 H ASN 58 H ASN 58 1.363 6.807 1.177 394 HA ASN 58 HA ASN 58 -0.840 6.270 1.012 395 HB2 ASN 58 1HB ASN 58 -0.764 7.803 3.141 396 HB3 ASN 58 2HB ASN 58 -1.621 8.946 2.110 397 HD21 ASN 58 1HD2 ASN 58 -3.730 8.603 1.622 398 HD22 ASN 58 2HD2 ASN 58 -4.671 7.312 2.280 399 H LEU 59 H LEU 59 0.291 7.258 -1.286 400 HA LEU 59 HA LEU 59 -1.555 9.210 -2.413 401 HB2 LEU 59 1HB LEU 59 0.765 9.509 -2.944 402 HB3 LEU 59 2HB LEU 59 0.894 7.847 -3.518 403 HG LEU 59 HG LEU 59 -0.679 8.454 -5.369 404 HD11 LEU 59 1HD1 LEU 59 -1.818 10.350 -5.144 405 HD12 LEU 59 2HD1 LEU 59 -0.325 11.190 -5.560 406 HD13 LEU 59 3HD1 LEU 59 -0.747 10.931 -3.868 407 HD21 LEU 59 1HD2 LEU 59 1.537 10.338 -5.735 408 HD22 LEU 59 2HD2 LEU 59 1.084 8.917 -6.678 409 HD23 LEU 59 3HD2 LEU 59 2.021 8.730 -5.194 410 H ASN 60 H ASN 60 -2.990 8.798 -4.063 411 HA ASN 60 HA ASN 60 -4.261 6.332 -4.146 412 HB2 ASN 60 1HB ASN 60 -4.871 8.782 -5.087 413 HB3 ASN 60 2HB ASN 60 -4.420 7.996 -6.597 414 HD21 ASN 60 1HD2 ASN 60 -6.306 7.288 -3.673 415 HD22 ASN 60 2HD2 ASN 60 -7.638 6.567 -4.504 416 H LEU 61 H LEU 61 -3.714 4.451 -5.012 417 HA LEU 61 HA LEU 61 -1.639 4.405 -7.090 418 HB2 LEU 61 1HB LEU 61 -2.628 2.107 -5.415 419 HB3 LEU 61 2HB LEU 61 -1.196 2.142 -6.442 420 HG LEU 61 HG LEU 61 -1.545 3.798 -3.945 421 HD11 LEU 61 1HD1 LEU 61 -1.239 1.846 -2.891 422 HD12 LEU 61 2HD1 LEU 61 0.436 2.011 -3.418 423 HD13 LEU 61 3HD1 LEU 61 -0.690 1.026 -4.353 424 HD21 LEU 61 1HD2 LEU 61 0.687 3.393 -5.905 425 HD22 LEU 61 2HD2 LEU 61 1.009 3.879 -4.240 426 HD23 LEU 61 3HD2 LEU 61 0.015 4.899 -5.280 427 H LYS 62 H LYS 62 -4.958 3.755 -6.494 428 HA LYS 62 HA LYS 62 -5.772 1.799 -8.130 429 HB2 LYS 62 1HB LYS 62 -7.450 3.065 -7.064 430 HB3 LYS 62 2HB LYS 62 -6.902 4.568 -7.796 431 HG2 LYS 62 1HG LYS 62 -8.832 4.097 -8.971 432 HG3 LYS 62 2HG LYS 62 -7.571 3.457 -10.028 433 HD2 LYS 62 1HD LYS 62 -8.746 1.627 -8.003 434 HD3 LYS 62 2HD LYS 62 -9.735 2.051 -9.402 435 HE2 LYS 62 1HE LYS 62 -7.669 1.427 -10.794 436 HE3 LYS 62 2HE LYS 62 -7.082 0.648 -9.325 437 HZ1 LYS 62 1HZ LYS 62 -9.608 0.026 -10.756 438 HZ2 LYS 62 2HZ LYS 62 -9.134 -0.674 -9.292 439 HZ3 LYS 62 3HZ LYS 62 -8.224 -0.944 -10.692 440 H GLN 63 H GLN 63 -5.523 5.114 -9.428 441 HA GLN 63 HA GLN 63 -5.438 4.165 -12.125 442 HB2 GLN 63 1HB GLN 63 -4.961 6.591 -12.644 443 HB3 GLN 63 2HB GLN 63 -6.458 6.282 -11.774 444 HG2 GLN 63 1HG GLN 63 -5.562 7.078 -9.746 445 HG3 GLN 63 2HG GLN 63 -3.918 7.065 -10.382 446 HE21 GLN 63 1HE2 GLN 63 -3.913 8.382 -12.610 447 HE22 GLN 63 2HE2 GLN 63 -4.538 9.984 -12.448 448 H LYS 64 H LYS 64 -3.063 5.453 -9.846 449 HA LYS 64 HA LYS 64 -0.898 5.471 -11.694 450 HB2 LYS 64 1HB LYS 64 -0.876 5.420 -8.670 451 HB3 LYS 64 2HB LYS 64 0.517 5.759 -9.688 452 HG2 LYS 64 1HG LYS 64 -0.660 7.733 -10.585 453 HG3 LYS 64 2HG LYS 64 -1.992 7.410 -9.473 454 HD2 LYS 64 1HD LYS 64 -0.546 7.736 -7.572 455 HD3 LYS 64 2HD LYS 64 0.862 7.898 -8.625 456 HE2 LYS 64 1HE LYS 64 -1.459 9.733 -9.002 457 HE3 LYS 64 2HE LYS 64 -0.351 10.016 -7.660 458 HZ1 LYS 64 1HZ LYS 64 -0.012 10.840 -10.244 459 HZ2 LYS 64 2HZ LYS 64 1.037 9.521 -10.103 460 HZ3 LYS 64 3HZ LYS 64 1.172 10.827 -9.036 461 H GLY 65 H GLY 65 1.193 4.186 -10.881 462 HA2 GLY 65 1HA GLY 65 0.511 1.399 -11.275 463 HA3 GLY 65 2HA GLY 65 2.128 2.086 -11.247 464 H TYR 66 H TYR 66 0.081 0.066 -9.658 465 HA TYR 66 HA TYR 66 0.875 0.709 -6.954 466 HB2 TYR 66 1HB TYR 66 -0.573 -1.012 -6.263 467 HB3 TYR 66 2HB TYR 66 -1.365 -0.315 -7.671 468 HD1 TYR 66 2HD TYR 66 0.577 -3.204 -6.449 469 HD2 TYR 66 1HD TYR 66 -1.725 -1.601 -9.648 470 HE1 TYR 66 2HE TYR 66 0.487 -5.430 -7.491 471 HE2 TYR 66 1HE TYR 66 -1.823 -3.823 -10.699 472 HH TYR 66 HH TYR 66 -0.967 -6.659 -9.082 473 H PHE 67 H PHE 67 2.015 -0.780 -5.569 474 HA PHE 67 HA PHE 67 3.732 -2.714 -6.947 475 HB2 PHE 67 1HB PHE 67 4.613 -0.314 -5.395 476 HB3 PHE 67 2HB PHE 67 5.588 -1.778 -5.325 477 HD1 PHE 67 1HD PHE 67 3.872 0.313 -7.899 478 HD2 PHE 67 2HD PHE 67 7.321 -1.931 -6.811 479 HE1 PHE 67 1HE PHE 67 4.941 0.930 -10.027 480 HE2 PHE 67 2HE PHE 67 8.396 -1.317 -8.937 481 HZ PHE 67 HZ PHE 67 7.206 0.116 -10.549 482 H PHE 68 H PHE 68 4.775 -4.241 -5.490 483 HA PHE 68 HA PHE 68 3.418 -4.486 -2.891 484 HB2 PHE 68 1HB PHE 68 3.581 -6.446 -5.122 485 HB3 PHE 68 2HB PHE 68 3.732 -7.075 -3.485 486 HD1 PHE 68 1HD PHE 68 1.898 -5.965 -1.823 487 HD2 PHE 68 2HD PHE 68 1.484 -6.510 -6.024 488 HE1 PHE 68 1HE PHE 68 -0.550 -5.929 -1.583 489 HE2 PHE 68 2HE PHE 68 -0.964 -6.474 -5.791 490 HZ PHE 68 HZ PHE 68 -1.985 -6.182 -3.569 491 H VAL 69 H VAL 69 5.052 -4.006 -1.535 492 HA VAL 69 HA VAL 69 7.553 -5.540 -1.831 493 HB VAL 69 HB VAL 69 7.219 -2.793 -0.616 494 HG11 VAL 69 1HG1 VAL 69 9.788 -4.273 -1.130 495 HG12 VAL 69 2HG1 VAL 69 9.550 -2.785 -0.210 496 HG13 VAL 69 3HG1 VAL 69 8.949 -4.319 0.420 497 HG21 VAL 69 1HG2 VAL 69 7.059 -2.780 -3.057 498 HG22 VAL 69 2HG2 VAL 69 8.549 -2.013 -2.510 499 HG23 VAL 69 3HG2 VAL 69 8.589 -3.650 -3.165 500 H GLU 70 H GLU 70 7.397 -7.179 -0.423 501 HA GLU 70 HA GLU 70 7.266 -8.310 1.546 502 HB2 GLU 70 1HB GLU 70 7.478 -5.548 2.760 503 HB3 GLU 70 2HB GLU 70 7.667 -7.061 3.635 504 HG2 GLU 70 1HG GLU 70 9.514 -7.494 1.811 505 HG3 GLU 70 2HG GLU 70 9.503 -5.734 1.717 506 H GLY 71 H GLY 71 4.867 -7.677 0.223 507 HA2 GLY 71 1HA GLY 71 2.643 -8.153 0.738 508 HA3 GLY 71 2HA GLY 71 3.022 -7.960 2.443 509 H GLU 72 H GLU 72 4.246 -5.341 2.100 510 HA GLU 72 HA GLU 72 1.830 -3.778 2.216 511 HB2 GLU 72 1HB GLU 72 3.899 -3.504 3.699 512 HB3 GLU 72 2HB GLU 72 4.643 -2.707 2.321 513 HG2 GLU 72 1HG GLU 72 3.805 -0.980 3.654 514 HG3 GLU 72 2HG GLU 72 2.652 -1.142 2.330 515 H LEU 73 H LEU 73 1.404 -1.893 0.958 516 HA LEU 73 HA LEU 73 2.343 -2.167 -1.800 517 HB2 LEU 73 1HB LEU 73 -0.089 -1.103 -0.495 518 HB3 LEU 73 2HB LEU 73 0.431 -0.299 -1.975 519 HG LEU 73 HG LEU 73 0.193 -3.259 -2.027 520 HD11 LEU 73 1HD1 LEU 73 -1.952 -3.341 -1.488 521 HD12 LEU 73 2HD1 LEU 73 -2.318 -2.183 -2.766 522 HD13 LEU 73 3HD1 LEU 73 -1.946 -1.612 -1.140 523 HD21 LEU 73 1HD2 LEU 73 0.111 -2.952 -4.249 524 HD22 LEU 73 2HD2 LEU 73 0.767 -1.357 -3.879 525 HD23 LEU 73 3HD2 LEU 73 -0.969 -1.563 -4.121 526 H TYR 74 H TYR 74 2.733 -0.166 -3.047 527 HA TYR 74 HA TYR 74 3.400 2.241 -1.632 528 HB2 TYR 74 1HB TYR 74 5.596 0.465 -2.700 529 HB3 TYR 74 2HB TYR 74 5.824 2.176 -2.354 530 HD1 TYR 74 2HD TYR 74 5.489 2.985 0.016 531 HD2 TYR 74 1HD TYR 74 5.704 -1.145 -0.982 532 HE1 TYR 74 2HE TYR 74 5.980 2.449 2.365 533 HE2 TYR 74 1HE TYR 74 6.195 -1.693 1.365 534 HH TYR 74 HH TYR 74 7.120 -0.581 3.360 535 H CYS 75 H CYS 75 4.220 3.929 -3.090 536 HA CYS 75 HA CYS 75 2.926 3.728 -5.671 537 HB2 CYS 75 1HB CYS 75 3.460 6.126 -5.871 538 HB3 CYS 75 2HB CYS 75 2.642 5.764 -4.354 539 H GLU 76 H GLU 76 4.012 4.445 -7.654 540 HA GLU 76 HA GLU 76 6.160 2.936 -8.377 541 HB2 GLU 76 1HB GLU 76 4.607 4.468 -9.796 542 HB3 GLU 76 2HB GLU 76 5.849 5.686 -9.539 543 HG2 GLU 76 1HG GLU 76 7.501 4.289 -10.600 544 HG3 GLU 76 2HG GLU 76 6.333 2.979 -10.761 545 H THR 77 H THR 77 6.226 6.169 -6.965 546 HA THR 77 HA THR 77 8.989 6.636 -7.245 547 HB THR 77 HB THR 77 7.095 7.714 -5.147 548 HG1 THR 77 1HG THR 77 6.679 8.133 -7.480 549 HG21 THR 77 1HG2 THR 77 8.695 9.224 -4.501 550 HG22 THR 77 2HG2 THR 77 9.534 9.165 -6.051 551 HG23 THR 77 3HG2 THR 77 9.725 7.848 -4.894 552 H HIS 78 H HIS 78 7.305 5.983 -4.171 553 HA HIS 78 HA HIS 78 9.581 5.280 -2.731 554 HB2 HIS 78 1HB HIS 78 6.660 4.685 -2.377 555 HB3 HIS 78 2HB HIS 78 7.848 3.981 -1.283 556 HD2 HIS 78 2HD HIS 78 9.688 6.395 -0.463 557 HE1 HIS 78 1HE HIS 78 6.135 8.632 0.150 558 HE2 HIS 78 2HE HIS 78 8.620 8.523 0.549 559 H ALA 79 H ALA 79 7.148 3.087 -4.146 560 HA ALA 79 HA ALA 79 8.215 0.659 -3.562 561 HB1 ALA 79 1HB ALA 79 6.139 1.306 -4.984 562 HB2 ALA 79 2HB ALA 79 7.243 1.129 -6.348 563 HB3 ALA 79 3HB ALA 79 6.947 -0.236 -5.271 564 H ARG 80 H ARG 80 9.048 2.561 -6.465 565 HA ARG 80 HA ARG 80 10.935 0.927 -7.586 566 HB2 ARG 80 1HB ARG 80 10.527 3.870 -7.527 567 HB3 ARG 80 2HB ARG 80 12.080 3.290 -8.113 568 HG2 ARG 80 1HG ARG 80 10.794 1.811 -9.700 569 HG3 ARG 80 2HG ARG 80 9.352 2.712 -9.228 570 HD2 ARG 80 1HD ARG 80 10.127 3.759 -11.186 571 HD3 ARG 80 2HD ARG 80 10.636 4.807 -9.863 572 HE ARG 80 HE ARG 80 12.352 3.160 -11.550 573 HH11 ARG 80 2HH1 ARG 80 12.028 5.296 -8.820 574 HH12 ARG 80 1HH1 ARG 80 13.718 5.672 -8.748 575 HH21 ARG 80 2HH2 ARG 80 14.579 3.647 -11.465 576 HH22 ARG 80 1HH2 ARG 80 15.168 4.734 -10.254 577 H ALA 81 H ALA 81 11.391 3.227 -4.934 578 HA ALA 81 HA ALA 81 14.184 2.924 -4.693 579 HB1 ALA 81 1HB ALA 81 12.020 3.958 -2.922 580 HB2 ALA 81 2HB ALA 81 13.626 3.679 -2.247 581 HB3 ALA 81 3HB ALA 81 13.419 4.792 -3.599 582 H ARG 82 H ARG 82 11.469 1.190 -3.250 583 HA ARG 82 HA ARG 82 13.084 -0.385 -1.497 584 HB2 ARG 82 1HB ARG 82 10.276 -0.919 -2.482 585 HB3 ARG 82 2HB ARG 82 11.051 -1.666 -1.092 586 HG2 ARG 82 1HG ARG 82 10.885 0.237 0.196 587 HG3 ARG 82 2HG ARG 82 10.771 1.301 -1.207 588 HD2 ARG 82 1HD ARG 82 8.538 0.134 -1.671 589 HD3 ARG 82 2HD ARG 82 8.663 -0.477 -0.021 590 HE ARG 82 HE ARG 82 7.892 2.135 -0.803 591 HH11 ARG 82 2HH1 ARG 82 9.674 0.405 1.637 592 HH12 ARG 82 1HH1 ARG 82 9.408 1.600 2.863 593 HH21 ARG 82 2HH2 ARG 82 7.536 3.715 0.802 594 HH22 ARG 82 1HH2 ARG 82 8.192 3.482 2.388 595 H THR 83 H THR 83 11.165 -1.323 -4.357 596 HA THR 83 HA THR 83 12.664 -3.774 -4.636 597 HB THR 83 HB THR 83 10.217 -3.628 -5.140 598 HG1 THR 83 1HG THR 83 11.905 -4.437 -7.295 599 HG21 THR 83 1HG2 THR 83 10.289 -1.425 -6.273 600 HG22 THR 83 2HG2 THR 83 9.485 -2.663 -7.237 601 HG23 THR 83 3HG2 THR 83 11.135 -2.177 -7.624 602 H SER 84 H SER 84 13.816 -0.954 -5.089 603 HA SER 84 HA SER 84 14.447 -0.248 -7.584 604 HB2 SER 84 1HB SER 84 15.468 0.702 -5.502 605 HB3 SER 84 2HB SER 84 16.583 -0.664 -5.480 606 HG SER 84 HG SER 84 17.130 0.060 -7.699 607 H GLY 85 H GLY 85 15.899 -3.025 -5.913 608 HA2 GLY 85 1HA GLY 85 16.979 -3.912 -8.514 609 HA3 GLY 85 2HA GLY 85 17.679 -4.328 -6.957 610 HA PRO 86 HA PRO 86 13.611 -6.919 -7.632 611 HB2 PRO 86 1HB PRO 86 12.947 -7.267 -10.242 612 HB3 PRO 86 2HB PRO 86 12.301 -5.952 -9.254 613 HG2 PRO 86 1HG PRO 86 14.550 -5.909 -11.230 614 HG3 PRO 86 2HG PRO 86 13.249 -4.728 -10.989 615 HD2 PRO 86 1HD PRO 86 15.749 -4.360 -10.016 616 HD3 PRO 86 2HD PRO 86 14.303 -3.746 -9.190 617 H SER 87 H SER 87 13.843 -9.088 -7.611 618 HA SER 87 HA SER 87 16.278 -10.291 -8.274 619 HB2 SER 87 1HB SER 87 13.573 -11.332 -7.518 620 HB3 SER 87 2HB SER 87 14.806 -12.463 -8.073 621 HG SER 87 HG SER 87 14.685 -10.959 -5.738 622 H SER 88 H SER 88 16.559 -12.164 -9.764 623 HA SER 88 HA SER 88 16.163 -11.408 -12.416 624 HB2 SER 88 1HB SER 88 17.056 -13.554 -13.024 625 HB3 SER 88 2HB SER 88 17.889 -13.033 -11.559 626 HG SER 88 HG SER 88 16.531 -15.267 -11.948 627 H GLY 89 H GLY 89 14.377 -13.750 -10.433 628 HA2 GLY 89 1HA GLY 89 12.232 -14.551 -10.638 629 HA3 GLY 89 2HA GLY 89 11.936 -13.262 -11.795 Start of MODEL 19 1 H1 GLY 1 H GLY 1 36.271 -21.275 -7.663 2 HA2 GLY 1 1HA GLY 1 34.580 -21.625 -9.287 3 HA3 GLY 1 2HA GLY 1 35.169 -23.266 -9.509 4 H SER 2 H SER 2 34.024 -21.362 -6.717 5 HA SER 2 HA SER 2 31.931 -23.366 -6.283 6 HB2 SER 2 1HB SER 2 33.910 -22.457 -4.180 7 HB3 SER 2 2HB SER 2 32.461 -23.406 -3.848 8 HG SER 2 HG SER 2 34.849 -24.268 -4.626 9 H SER 3 H SER 3 30.229 -22.635 -4.836 10 HA SER 3 HA SER 3 30.138 -19.794 -4.231 11 HB2 SER 3 1HB SER 3 28.207 -21.118 -6.146 12 HB3 SER 3 2HB SER 3 27.924 -19.547 -5.396 13 HG SER 3 HG SER 3 29.069 -18.762 -6.959 14 H GLY 4 H GLY 4 28.224 -19.213 -2.939 15 HA2 GLY 4 1HA GLY 4 26.842 -21.477 -1.697 16 HA3 GLY 4 2HA GLY 4 27.817 -20.448 -0.658 17 H SER 5 H SER 5 25.540 -20.354 0.317 18 HA SER 5 HA SER 5 23.843 -18.388 -1.029 19 HB2 SER 5 1HB SER 5 23.393 -20.197 1.346 20 HB3 SER 5 2HB SER 5 22.255 -18.931 0.887 21 HG SER 5 HG SER 5 23.136 -20.954 -0.891 22 H SER 6 H SER 6 24.282 -16.328 -0.635 23 HA SER 6 HA SER 6 25.362 -15.572 1.989 24 HB2 SER 6 1HB SER 6 25.462 -14.266 -0.724 25 HB3 SER 6 2HB SER 6 25.825 -13.358 0.744 26 HG SER 6 HG SER 6 27.108 -15.785 0.552 27 H GLY 7 H GLY 7 24.142 -14.507 3.405 28 HA2 GLY 7 1HA GLY 7 22.287 -12.498 2.784 29 HA3 GLY 7 2HA GLY 7 21.408 -14.009 2.964 30 H VAL 8 H VAL 8 20.472 -14.083 4.889 31 HA VAL 8 HA VAL 8 22.073 -13.767 7.278 32 HB VAL 8 HB VAL 8 20.606 -12.134 8.343 33 HG11 VAL 8 1HG1 VAL 8 21.539 -11.008 5.712 34 HG12 VAL 8 2HG1 VAL 8 21.431 -10.186 7.270 35 HG13 VAL 8 3HG1 VAL 8 22.638 -11.448 7.018 36 HG21 VAL 8 1HG2 VAL 8 18.601 -12.725 6.942 37 HG22 VAL 8 2HG2 VAL 8 18.855 -11.000 7.205 38 HG23 VAL 8 3HG2 VAL 8 19.296 -11.730 5.662 39 H ARG 9 H ARG 9 21.245 -14.855 9.034 40 HA ARG 9 HA ARG 9 18.773 -16.379 8.532 41 HB2 ARG 9 1HB ARG 9 21.360 -17.111 9.847 42 HB3 ARG 9 2HB ARG 9 19.881 -17.916 10.354 43 HG2 ARG 9 1HG ARG 9 19.492 -18.640 8.046 44 HG3 ARG 9 2HG ARG 9 20.994 -17.853 7.557 45 HD2 ARG 9 1HD ARG 9 21.985 -19.347 9.500 46 HD3 ARG 9 2HD ARG 9 20.568 -20.333 9.142 47 HE ARG 9 HE ARG 9 21.456 -20.817 7.038 48 HH11 ARG 9 2HH1 ARG 9 23.487 -18.619 8.817 49 HH12 ARG 9 1HH1 ARG 9 24.856 -18.836 7.777 50 HH21 ARG 9 2HH2 ARG 9 23.251 -21.112 5.662 51 HH22 ARG 9 1HH2 ARG 9 24.720 -20.254 5.982 52 H ALA 10 H ALA 10 17.171 -15.395 9.599 53 HA ALA 10 HA ALA 10 17.603 -14.776 12.446 54 HB1 ALA 10 1HB ALA 10 17.200 -12.868 10.542 55 HB2 ALA 10 2HB ALA 10 15.557 -13.160 11.115 56 HB3 ALA 10 3HB ALA 10 16.817 -12.687 12.255 57 HA PRO 11 HA PRO 11 14.188 -17.499 13.091 58 HB2 PRO 11 1HB PRO 11 13.613 -16.782 15.646 59 HB3 PRO 11 2HB PRO 11 15.014 -17.771 15.217 60 HG2 PRO 11 1HG PRO 11 14.871 -14.836 15.790 61 HG3 PRO 11 2HG PRO 11 16.075 -16.023 16.325 62 HD2 PRO 11 1HD PRO 11 16.515 -14.333 14.256 63 HD3 PRO 11 2HD PRO 11 17.207 -15.966 14.318 64 H VAL 12 H VAL 12 11.913 -17.469 13.395 65 HA VAL 12 HA VAL 12 10.693 -14.792 13.175 66 HB VAL 12 HB VAL 12 9.786 -17.343 11.833 67 HG11 VAL 12 1HG1 VAL 12 8.577 -14.591 11.946 68 HG12 VAL 12 2HG1 VAL 12 8.163 -15.769 10.699 69 HG13 VAL 12 3HG1 VAL 12 7.838 -16.127 12.395 70 HG21 VAL 12 1HG2 VAL 12 11.821 -16.061 10.929 71 HG22 VAL 12 2HG2 VAL 12 10.520 -16.451 9.804 72 HG23 VAL 12 3HG2 VAL 12 10.657 -14.821 10.463 73 H THR 13 H THR 13 8.890 -14.370 14.370 74 HA THR 13 HA THR 13 8.141 -16.419 16.341 75 HB THR 13 HB THR 13 9.011 -14.287 17.255 76 HG1 THR 13 1HG THR 13 7.557 -15.412 18.544 77 HG21 THR 13 1HG2 THR 13 8.116 -12.832 15.443 78 HG22 THR 13 2HG2 THR 13 7.744 -12.245 17.064 79 HG23 THR 13 3HG2 THR 13 6.501 -13.058 16.114 80 H LYS 14 H LYS 14 5.876 -16.503 17.013 81 HA LYS 14 HA LYS 14 4.050 -15.854 14.792 82 HB2 LYS 14 1HB LYS 14 2.800 -17.844 15.272 83 HB3 LYS 14 2HB LYS 14 4.493 -18.293 15.119 84 HG2 LYS 14 1HG LYS 14 4.441 -17.939 17.743 85 HG3 LYS 14 2HG LYS 14 2.731 -18.306 17.501 86 HD2 LYS 14 1HD LYS 14 3.411 -20.365 16.278 87 HD3 LYS 14 2HD LYS 14 5.087 -20.014 16.705 88 HE2 LYS 14 1HE LYS 14 4.496 -21.463 18.389 89 HE3 LYS 14 2HE LYS 14 4.132 -19.909 19.138 90 HZ1 LYS 14 1HZ LYS 14 1.811 -20.199 18.484 91 HZ2 LYS 14 2HZ LYS 14 2.332 -21.458 19.485 92 HZ3 LYS 14 3HZ LYS 14 2.174 -21.712 17.820 93 H VAL 15 H VAL 15 2.526 -14.426 15.269 94 HA VAL 15 HA VAL 15 1.595 -14.229 18.058 95 HB VAL 15 HB VAL 15 3.040 -12.316 17.541 96 HG11 VAL 15 1HG1 VAL 15 1.522 -12.342 15.074 97 HG12 VAL 15 2HG1 VAL 15 1.550 -10.740 15.815 98 HG13 VAL 15 3HG1 VAL 15 3.063 -11.568 15.443 99 HG21 VAL 15 1HG2 VAL 15 1.505 -10.556 18.204 100 HG22 VAL 15 2HG2 VAL 15 0.128 -11.539 17.705 101 HG23 VAL 15 3HG2 VAL 15 1.128 -12.048 19.067 102 H HIS 16 H HIS 16 -0.582 -13.696 18.368 103 HA HIS 16 HA HIS 16 -2.264 -13.928 15.958 104 HB2 HIS 16 1HB HIS 16 -3.930 -15.079 17.307 105 HB3 HIS 16 2HB HIS 16 -2.386 -15.920 17.421 106 HD1 HIS 16 1HD HIS 16 -4.881 -14.053 19.440 107 HD2 HIS 16 2HD HIS 16 -1.127 -15.758 19.952 108 HE1 HIS 16 1HE HIS 16 -4.513 -14.134 21.926 109 HE2 HIS 16 2HE HIS 16 -2.200 -15.090 22.209 110 H GLY 17 H GLY 17 -3.828 -12.437 15.640 111 HA2 GLY 17 1HA GLY 17 -4.992 -10.873 17.703 112 HA3 GLY 17 2HA GLY 17 -3.735 -9.958 16.886 113 H GLY 18 H GLY 18 -6.350 -9.089 16.862 114 HA2 GLY 18 1HA GLY 18 -7.453 -8.010 15.044 115 HA3 GLY 18 2HA GLY 18 -6.953 -9.330 13.997 116 H ALA 19 H ALA 19 -9.595 -8.269 14.221 117 HA ALA 19 HA ALA 19 -11.001 -10.742 14.754 118 HB1 ALA 19 1HB ALA 19 -12.697 -9.055 16.063 119 HB2 ALA 19 2HB ALA 19 -11.557 -10.154 16.842 120 HB3 ALA 19 3HB ALA 19 -11.119 -8.465 16.587 121 H GLY 20 H GLY 20 -12.423 -11.038 13.170 122 HA2 GLY 20 1HA GLY 20 -14.424 -9.444 12.288 123 HA3 GLY 20 2HA GLY 20 -13.044 -8.869 11.364 124 H SER 21 H SER 21 -15.539 -10.257 10.535 125 HA SER 21 HA SER 21 -14.238 -12.381 8.983 126 HB2 SER 21 1HB SER 21 -16.318 -13.767 9.231 127 HB3 SER 21 2HB SER 21 -15.404 -13.570 10.726 128 HG SER 21 HG SER 21 -17.182 -11.576 10.475 129 H ALA 22 H ALA 22 -14.989 -12.641 6.899 130 HA ALA 22 HA ALA 22 -16.545 -10.409 5.864 131 HB1 ALA 22 1HB ALA 22 -14.970 -10.585 4.296 132 HB2 ALA 22 2HB ALA 22 -14.518 -12.209 4.816 133 HB3 ALA 22 3HB ALA 22 -15.869 -11.983 3.706 134 H GLN 23 H GLN 23 -18.461 -10.599 4.733 135 HA GLN 23 HA GLN 23 -19.764 -13.239 4.832 136 HB2 GLN 23 1HB GLN 23 -20.536 -11.290 6.440 137 HB3 GLN 23 2HB GLN 23 -21.383 -10.736 5.001 138 HG2 GLN 23 1HG GLN 23 -22.184 -13.257 4.954 139 HG3 GLN 23 2HG GLN 23 -21.853 -13.130 6.681 140 HE21 GLN 23 1HE2 GLN 23 -24.203 -13.545 6.754 141 HE22 GLN 23 2HE2 GLN 23 -25.270 -12.190 6.666 142 H ARG 24 H ARG 24 -19.646 -13.886 2.756 143 HA ARG 24 HA ARG 24 -19.902 -13.922 0.491 144 HB2 ARG 24 1HB ARG 24 -22.285 -13.705 1.376 145 HB3 ARG 24 2HB ARG 24 -22.182 -12.003 0.943 146 HG2 ARG 24 1HG ARG 24 -21.604 -12.777 -1.398 147 HG3 ARG 24 2HG ARG 24 -22.091 -14.390 -0.874 148 HD2 ARG 24 1HD ARG 24 -24.005 -13.472 -1.875 149 HD3 ARG 24 2HD ARG 24 -24.278 -13.317 -0.140 150 HE ARG 24 HE ARG 24 -24.111 -11.018 -0.335 151 HH11 ARG 24 2HH1 ARG 24 -23.274 -12.562 -3.341 152 HH12 ARG 24 1HH1 ARG 24 -23.318 -11.093 -4.259 153 HH21 ARG 24 2HH2 ARG 24 -24.172 -9.077 -1.532 154 HH22 ARG 24 1HH2 ARG 24 -23.828 -9.111 -3.229 155 H MET 25 H MET 25 -18.126 -11.894 1.567 156 HA MET 25 HA MET 25 -17.646 -10.421 -0.795 157 HB2 MET 25 1HB MET 25 -18.457 -8.341 -0.384 158 HB3 MET 25 2HB MET 25 -19.629 -9.235 0.575 159 HG2 MET 25 1HG MET 25 -17.098 -8.279 1.831 160 HG3 MET 25 2HG MET 25 -18.435 -7.161 1.574 161 HE1 MET 25 1HE MET 25 -17.930 -8.912 5.359 162 HE2 MET 25 2HE MET 25 -16.748 -8.639 4.079 163 HE3 MET 25 3HE MET 25 -17.767 -7.311 4.636 164 HA PRO 26 HA PRO 26 -13.651 -10.273 1.020 165 HB2 PRO 26 1HB PRO 26 -12.574 -8.158 -0.299 166 HB3 PRO 26 2HB PRO 26 -12.862 -9.724 -1.067 167 HG2 PRO 26 1HG PRO 26 -14.511 -7.228 -1.177 168 HG3 PRO 26 2HG PRO 26 -14.084 -8.345 -2.486 169 HD2 PRO 26 1HD PRO 26 -16.495 -8.396 -1.256 170 HD3 PRO 26 2HD PRO 26 -15.720 -9.858 -1.898 171 H LEU 27 H LEU 27 -12.341 -9.128 2.489 172 HA LEU 27 HA LEU 27 -13.678 -6.831 3.754 173 HB2 LEU 27 1HB LEU 27 -13.090 -9.174 4.912 174 HB3 LEU 27 2HB LEU 27 -11.576 -8.321 5.207 175 HG LEU 27 HG LEU 27 -12.963 -8.086 7.138 176 HD11 LEU 27 1HD1 LEU 27 -12.434 -5.942 7.422 177 HD12 LEU 27 2HD1 LEU 27 -13.525 -5.416 6.141 178 HD13 LEU 27 3HD1 LEU 27 -11.896 -5.961 5.742 179 HD21 LEU 27 1HD2 LEU 27 -15.074 -7.255 5.169 180 HD22 LEU 27 2HD2 LEU 27 -15.182 -6.860 6.885 181 HD23 LEU 27 3HD2 LEU 27 -15.133 -8.546 6.368 182 H CYS 28 H CYS 28 -12.740 -4.936 3.433 183 HA CYS 28 HA CYS 28 -10.354 -4.483 2.122 184 HB2 CYS 28 1HB CYS 28 -12.151 -2.792 2.554 185 HB3 CYS 28 2HB CYS 28 -11.563 -2.658 4.208 186 H ASP 29 H ASP 29 -8.300 -4.779 2.651 187 HA ASP 29 HA ASP 29 -7.564 -5.510 5.337 188 HB2 ASP 29 1HB ASP 29 -6.620 -6.392 3.052 189 HB3 ASP 29 2HB ASP 29 -5.557 -4.993 3.174 190 H LYS 30 H LYS 30 -8.154 -2.612 4.002 191 HA LYS 30 HA LYS 30 -5.907 -1.213 5.251 192 HB2 LYS 30 1HB LYS 30 -6.549 -0.556 2.967 193 HB3 LYS 30 2HB LYS 30 -8.162 -0.150 3.537 194 HG2 LYS 30 1HG LYS 30 -7.311 1.923 3.643 195 HG3 LYS 30 2HG LYS 30 -6.683 1.367 5.196 196 HD2 LYS 30 1HD LYS 30 -4.610 0.629 3.938 197 HD3 LYS 30 2HD LYS 30 -5.240 1.532 2.558 198 HE2 LYS 30 1HE LYS 30 -4.775 2.725 5.286 199 HE3 LYS 30 2HE LYS 30 -3.602 2.787 3.972 200 HZ1 LYS 30 1HZ LYS 30 -6.266 3.697 3.293 201 HZ2 LYS 30 2HZ LYS 30 -4.761 4.362 2.900 202 HZ3 LYS 30 3HZ LYS 30 -5.449 4.663 4.416 203 H CYS 31 H CYS 31 -9.469 -1.004 5.198 204 HA CYS 31 HA CYS 31 -9.345 0.131 7.914 205 HB2 CYS 31 1HB CYS 31 -11.452 1.240 7.458 206 HB3 CYS 31 2HB CYS 31 -10.297 1.644 6.192 207 H GLY 32 H GLY 32 -9.571 -2.737 6.749 208 HA2 GLY 32 1HA GLY 32 -10.828 -4.650 7.121 209 HA3 GLY 32 2HA GLY 32 -10.750 -4.057 8.774 210 H SER 33 H SER 33 -12.512 -2.796 5.959 211 HA SER 33 HA SER 33 -15.007 -3.179 7.482 212 HB2 SER 33 1HB SER 33 -14.037 -0.765 6.948 213 HB3 SER 33 2HB SER 33 -14.816 -1.054 5.392 214 HG SER 33 HG SER 33 -16.767 -1.404 6.509 215 H GLY 34 H GLY 34 -16.631 -4.247 6.512 216 HA2 GLY 34 1HA GLY 34 -16.355 -5.935 4.415 217 HA3 GLY 34 2HA GLY 34 -17.900 -5.210 4.836 218 H ILE 35 H ILE 35 -16.431 -5.919 2.234 219 HA ILE 35 HA ILE 35 -16.702 -3.284 0.943 220 HB ILE 35 HB ILE 35 -15.154 -5.690 -0.027 221 HG12 ILE 35 1HG1 ILE 35 -14.019 -3.033 0.823 222 HG13 ILE 35 2HG1 ILE 35 -14.265 -4.339 1.977 223 HG21 ILE 35 1HG2 ILE 35 -15.220 -4.748 -2.034 224 HG22 ILE 35 2HG2 ILE 35 -16.161 -3.398 -1.402 225 HG23 ILE 35 3HG2 ILE 35 -14.399 -3.333 -1.374 226 HD11 ILE 35 1HD1 ILE 35 -12.701 -5.722 0.889 227 HD12 ILE 35 2HD1 ILE 35 -12.648 -4.672 -0.527 228 HD13 ILE 35 3HD1 ILE 35 -11.957 -4.127 1.001 229 H VAL 36 H VAL 36 -18.415 -3.008 -0.313 230 HA VAL 36 HA VAL 36 -19.409 -5.156 -1.979 231 HB VAL 36 HB VAL 36 -20.711 -5.693 -0.078 232 HG11 VAL 36 1HG1 VAL 36 -20.749 -2.771 0.316 233 HG12 VAL 36 2HG1 VAL 36 -22.221 -3.632 0.771 234 HG13 VAL 36 3HG1 VAL 36 -20.677 -4.077 1.499 235 HG21 VAL 36 1HG2 VAL 36 -21.910 -4.588 -2.413 236 HG22 VAL 36 2HG2 VAL 36 -22.496 -5.894 -1.384 237 HG23 VAL 36 3HG2 VAL 36 -22.936 -4.224 -1.026 238 H GLY 37 H GLY 37 -19.662 -4.245 -3.904 239 HA2 GLY 37 1HA GLY 37 -21.123 -2.719 -5.189 240 HA3 GLY 37 2HA GLY 37 -20.714 -1.484 -4.008 241 H ALA 38 H ALA 38 -17.982 -1.834 -3.788 242 HA ALA 38 HA ALA 38 -16.792 -1.807 -6.417 243 HB1 ALA 38 1HB ALA 38 -16.832 0.374 -6.808 244 HB2 ALA 38 2HB ALA 38 -17.754 0.624 -5.324 245 HB3 ALA 38 3HB ALA 38 -15.991 0.674 -5.287 246 H VAL 39 H VAL 39 -14.844 -2.687 -6.235 247 HA VAL 39 HA VAL 39 -13.243 -2.165 -3.835 248 HB VAL 39 HB VAL 39 -14.541 -4.435 -3.804 249 HG11 VAL 39 1HG1 VAL 39 -13.543 -4.873 -6.187 250 HG12 VAL 39 2HG1 VAL 39 -12.148 -5.446 -5.270 251 HG13 VAL 39 3HG1 VAL 39 -13.728 -6.196 -5.035 252 HG21 VAL 39 1HG2 VAL 39 -12.909 -5.328 -2.385 253 HG22 VAL 39 2HG2 VAL 39 -11.586 -4.603 -3.300 254 HG23 VAL 39 3HG2 VAL 39 -12.636 -3.587 -2.313 255 H VAL 40 H VAL 40 -10.955 -2.930 -4.125 256 HA VAL 40 HA VAL 40 -10.107 -2.940 -6.935 257 HB VAL 40 HB VAL 40 -8.948 -1.139 -4.804 258 HG11 VAL 40 1HG1 VAL 40 -8.124 -1.253 -7.690 259 HG12 VAL 40 2HG1 VAL 40 -7.309 -0.457 -6.343 260 HG13 VAL 40 3HG1 VAL 40 -7.328 -2.218 -6.447 261 HG21 VAL 40 1HG2 VAL 40 -10.566 -0.593 -7.282 262 HG22 VAL 40 2HG2 VAL 40 -10.958 -0.173 -5.615 263 HG23 VAL 40 3HG2 VAL 40 -9.637 0.650 -6.444 264 H LYS 41 H LYS 41 -9.299 -4.964 -7.010 265 HA LYS 41 HA LYS 41 -7.383 -5.769 -4.927 266 HB2 LYS 41 1HB LYS 41 -8.861 -7.509 -4.919 267 HB3 LYS 41 2HB LYS 41 -9.345 -7.246 -6.590 268 HG2 LYS 41 1HG LYS 41 -6.934 -8.112 -7.112 269 HG3 LYS 41 2HG LYS 41 -7.063 -8.819 -5.500 270 HD2 LYS 41 1HD LYS 41 -9.165 -9.918 -6.186 271 HD3 LYS 41 2HD LYS 41 -8.956 -9.259 -7.810 272 HE2 LYS 41 1HE LYS 41 -6.804 -10.908 -6.534 273 HE3 LYS 41 2HE LYS 41 -8.181 -11.679 -7.320 274 HZ1 LYS 41 1HZ LYS 41 -7.157 -11.399 -9.246 275 HZ2 LYS 41 2HZ LYS 41 -5.877 -10.582 -8.501 276 HZ3 LYS 41 3HZ LYS 41 -7.225 -9.720 -9.050 277 H ALA 42 H ALA 42 -5.297 -5.890 -5.427 278 HA ALA 42 HA ALA 42 -4.437 -5.377 -8.137 279 HB1 ALA 42 1HB ALA 42 -3.152 -4.220 -6.591 280 HB2 ALA 42 2HB ALA 42 -3.041 -5.601 -5.498 281 HB3 ALA 42 3HB ALA 42 -2.126 -5.593 -7.006 282 H ARG 43 H ARG 43 -3.020 -7.708 -5.873 283 HA ARG 43 HA ARG 43 -2.802 -9.619 -8.082 284 HB2 ARG 43 1HB ARG 43 -1.322 -9.219 -5.511 285 HB3 ARG 43 2HB ARG 43 -1.316 -10.805 -6.272 286 HG2 ARG 43 1HG ARG 43 -0.150 -10.052 -8.129 287 HG3 ARG 43 2HG ARG 43 -0.584 -8.366 -7.839 288 HD2 ARG 43 1HD ARG 43 1.004 -8.101 -6.191 289 HD3 ARG 43 2HD ARG 43 1.047 -9.823 -5.811 290 HE ARG 43 HE ARG 43 2.601 -10.136 -7.486 291 HH11 ARG 43 2HH1 ARG 43 1.295 -6.913 -7.650 292 HH12 ARG 43 1HH1 ARG 43 2.476 -6.352 -8.787 293 HH21 ARG 43 2HH2 ARG 43 4.161 -9.409 -8.983 294 HH22 ARG 43 1HH2 ARG 43 4.105 -7.773 -9.545 295 H ASP 44 H ASP 44 -2.974 -10.264 -4.608 296 HA ASP 44 HA ASP 44 -5.275 -12.031 -5.132 297 HB2 ASP 44 1HB ASP 44 -3.168 -12.410 -2.996 298 HB3 ASP 44 2HB ASP 44 -4.462 -13.528 -3.418 299 H LYS 45 H LYS 45 -3.969 -9.476 -3.233 300 HA LYS 45 HA LYS 45 -5.970 -9.682 -1.148 301 HB2 LYS 45 1HB LYS 45 -3.613 -7.941 -1.688 302 HB3 LYS 45 2HB LYS 45 -4.882 -7.304 -0.650 303 HG2 LYS 45 1HG LYS 45 -4.632 -9.542 0.623 304 HG3 LYS 45 2HG LYS 45 -3.076 -9.642 -0.207 305 HD2 LYS 45 1HD LYS 45 -3.921 -7.218 1.361 306 HD3 LYS 45 2HD LYS 45 -3.075 -8.578 2.102 307 HE2 LYS 45 1HE LYS 45 -2.056 -7.008 -0.263 308 HE3 LYS 45 2HE LYS 45 -1.578 -6.717 1.409 309 HZ1 LYS 45 1HZ LYS 45 -1.222 -9.317 0.025 310 HZ2 LYS 45 2HZ LYS 45 -0.602 -8.867 1.533 311 HZ3 LYS 45 3HZ LYS 45 -0.017 -8.133 0.125 312 H TYR 46 H TYR 46 -7.246 -7.670 -0.597 313 HA TYR 46 HA TYR 46 -8.176 -6.306 -3.033 314 HB2 TYR 46 1HB TYR 46 -9.918 -7.433 -0.831 315 HB3 TYR 46 2HB TYR 46 -10.492 -6.467 -2.186 316 HD1 TYR 46 1HD TYR 46 -8.333 -9.491 -1.711 317 HD2 TYR 46 2HD TYR 46 -11.519 -7.663 -3.858 318 HE1 TYR 46 1HE TYR 46 -8.597 -11.537 -3.049 319 HE2 TYR 46 2HE TYR 46 -11.793 -9.705 -5.202 320 HH TYR 46 HH TYR 46 -9.578 -12.022 -5.495 321 H ARG 47 H ARG 47 -8.934 -4.196 -2.773 322 HA ARG 47 HA ARG 47 -8.836 -2.991 -0.124 323 HB2 ARG 47 1HB ARG 47 -7.121 -1.997 -2.408 324 HB3 ARG 47 2HB ARG 47 -7.317 -1.200 -0.853 325 HG2 ARG 47 1HG ARG 47 -6.378 -4.014 -0.858 326 HG3 ARG 47 2HG ARG 47 -5.253 -2.758 -1.381 327 HD2 ARG 47 1HD ARG 47 -5.597 -1.563 0.716 328 HD3 ARG 47 2HD ARG 47 -6.757 -2.785 1.234 329 HE ARG 47 HE ARG 47 -4.983 -4.309 1.526 330 HH11 ARG 47 2HH1 ARG 47 -3.911 -1.151 0.529 331 HH12 ARG 47 1HH1 ARG 47 -2.266 -1.415 1.006 332 HH21 ARG 47 2HH2 ARG 47 -2.821 -4.669 2.158 333 HH22 ARG 47 1HH2 ARG 47 -1.647 -3.417 1.932 334 H HIS 48 H HIS 48 -10.104 -1.178 0.081 335 HA HIS 48 HA HIS 48 -12.274 -0.850 -1.613 336 HB2 HIS 48 1HB HIS 48 -11.090 0.710 0.616 337 HB3 HIS 48 2HB HIS 48 -12.220 1.566 -0.429 338 HD2 HIS 48 2HD HIS 48 -14.450 -0.803 -0.802 339 HE1 HIS 48 1HE HIS 48 -14.589 -0.764 3.438 340 HE2 HIS 48 2HE HIS 48 -15.725 -1.535 1.326 341 HA PRO 49 HA PRO 49 -11.046 1.709 -4.955 342 HB2 PRO 49 1HB PRO 49 -13.121 3.443 -5.189 343 HB3 PRO 49 2HB PRO 49 -13.241 1.736 -5.632 344 HG2 PRO 49 1HG PRO 49 -14.133 3.110 -3.127 345 HG3 PRO 49 2HG PRO 49 -14.972 1.876 -4.085 346 HD2 PRO 49 1HD PRO 49 -13.634 1.289 -1.805 347 HD3 PRO 49 2HD PRO 49 -13.753 0.151 -3.162 348 H GLU 50 H GLU 50 -11.467 3.057 -1.852 349 HA GLU 50 HA GLU 50 -10.125 5.539 -2.704 350 HB2 GLU 50 1HB GLU 50 -11.154 6.680 -0.838 351 HB3 GLU 50 2HB GLU 50 -12.403 5.898 -1.797 352 HG2 GLU 50 1HG GLU 50 -12.148 3.963 -0.093 353 HG3 GLU 50 2HG GLU 50 -11.384 5.189 0.917 354 H CYS 51 H CYS 51 -10.154 2.842 -0.506 355 HA CYS 51 HA CYS 51 -8.184 3.797 1.297 356 HB2 CYS 51 1HB CYS 51 -9.163 1.023 0.623 357 HB3 CYS 51 2HB CYS 51 -7.938 1.325 1.851 358 H PHE 52 H PHE 52 -8.055 2.156 -1.783 359 HA PHE 52 HA PHE 52 -5.483 1.148 -1.782 360 HB2 PHE 52 1HB PHE 52 -7.418 1.220 -3.622 361 HB3 PHE 52 2HB PHE 52 -6.409 2.515 -4.258 362 HD1 PHE 52 2HD PHE 52 -5.627 -0.768 -2.670 363 HD2 PHE 52 1HD PHE 52 -5.227 1.759 -6.071 364 HE1 PHE 52 2HE PHE 52 -4.164 -2.437 -3.734 365 HE2 PHE 52 1HE PHE 52 -3.765 0.095 -7.141 366 HZ PHE 52 HZ PHE 52 -3.231 -2.006 -5.972 367 H VAL 53 H VAL 53 -3.834 2.288 -0.931 368 HA VAL 53 HA VAL 53 -2.843 4.552 -2.417 369 HB VAL 53 HB VAL 53 -2.709 6.103 -0.563 370 HG11 VAL 53 1HG1 VAL 53 -5.501 5.040 -0.976 371 HG12 VAL 53 2HG1 VAL 53 -5.111 6.610 -0.272 372 HG13 VAL 53 3HG1 VAL 53 -4.682 6.263 -1.947 373 HG21 VAL 53 1HG2 VAL 53 -4.136 3.964 1.011 374 HG22 VAL 53 2HG2 VAL 53 -2.506 4.579 1.288 375 HG23 VAL 53 3HG2 VAL 53 -3.901 5.623 1.563 376 H CYS 54 H CYS 54 -0.761 5.392 -1.312 377 HA CYS 54 HA CYS 54 0.986 3.178 -1.002 378 HB2 CYS 54 1HB CYS 54 1.567 5.459 -1.958 379 HB3 CYS 54 2HB CYS 54 1.612 6.046 -0.299 380 H ALA 55 H ALA 55 2.577 3.088 0.871 381 HA ALA 55 HA ALA 55 1.048 3.224 3.379 382 HB1 ALA 55 1HB ALA 55 2.711 1.544 4.201 383 HB2 ALA 55 2HB ALA 55 1.694 0.986 2.872 384 HB3 ALA 55 3HB ALA 55 3.360 1.476 2.563 385 H ASP 56 H ASP 56 3.431 4.836 1.730 386 HA ASP 56 HA ASP 56 4.738 5.735 4.212 387 HB2 ASP 56 1HB ASP 56 6.081 4.682 2.227 388 HB3 ASP 56 2HB ASP 56 5.872 6.267 1.488 389 H CYS 57 H CYS 57 3.268 6.790 1.183 390 HA CYS 57 HA CYS 57 3.068 9.508 2.308 391 HB2 CYS 57 1HB CYS 57 2.953 10.308 -0.047 392 HB3 CYS 57 2HB CYS 57 4.485 9.536 0.350 393 H ASN 58 H ASN 58 1.380 6.761 1.306 394 HA ASN 58 HA ASN 58 -0.836 6.263 1.174 395 HB2 ASN 58 1HB ASN 58 -0.745 7.984 3.194 396 HB3 ASN 58 2HB ASN 58 -1.650 8.991 2.068 397 HD21 ASN 58 1HD2 ASN 58 -3.767 8.699 1.919 398 HD22 ASN 58 2HD2 ASN 58 -4.646 7.372 2.592 399 H LEU 59 H LEU 59 0.340 7.047 -1.155 400 HA LEU 59 HA LEU 59 -1.418 8.990 -2.436 401 HB2 LEU 59 1HB LEU 59 1.193 8.636 -2.730 402 HB3 LEU 59 2HB LEU 59 0.650 7.482 -3.947 403 HG LEU 59 HG LEU 59 -0.056 10.416 -3.907 404 HD11 LEU 59 1HD1 LEU 59 2.362 9.875 -4.335 405 HD12 LEU 59 2HD1 LEU 59 1.533 10.728 -5.637 406 HD13 LEU 59 3HD1 LEU 59 1.832 8.995 -5.769 407 HD21 LEU 59 1HD2 LEU 59 -1.765 9.094 -4.982 408 HD22 LEU 59 2HD2 LEU 59 -0.552 8.240 -5.936 409 HD23 LEU 59 3HD2 LEU 59 -0.837 9.960 -6.206 410 H ASN 60 H ASN 60 -3.057 8.473 -3.749 411 HA ASN 60 HA ASN 60 -4.196 5.958 -3.826 412 HB2 ASN 60 1HB ASN 60 -4.984 8.404 -4.656 413 HB3 ASN 60 2HB ASN 60 -4.650 7.653 -6.214 414 HD21 ASN 60 1HD2 ASN 60 -6.207 6.816 -3.134 415 HD22 ASN 60 2HD2 ASN 60 -7.589 6.060 -3.845 416 H LEU 61 H LEU 61 -3.168 4.184 -4.508 417 HA LEU 61 HA LEU 61 -1.465 4.280 -6.867 418 HB2 LEU 61 1HB LEU 61 -2.092 1.893 -5.146 419 HB3 LEU 61 2HB LEU 61 -0.741 2.094 -6.260 420 HG LEU 61 HG LEU 61 -1.106 3.661 -3.707 421 HD11 LEU 61 1HD1 LEU 61 -0.249 1.948 -2.597 422 HD12 LEU 61 2HD1 LEU 61 1.153 1.937 -3.667 423 HD13 LEU 61 3HD1 LEU 61 -0.272 0.980 -4.072 424 HD21 LEU 61 1HD2 LEU 61 1.427 3.987 -4.200 425 HD22 LEU 61 2HD2 LEU 61 0.238 4.983 -5.039 426 HD23 LEU 61 3HD2 LEU 61 0.968 3.601 -5.858 427 H LYS 62 H LYS 62 -4.555 4.359 -6.749 428 HA LYS 62 HA LYS 62 -5.480 2.000 -8.018 429 HB2 LYS 62 1HB LYS 62 -7.164 3.256 -7.006 430 HB3 LYS 62 2HB LYS 62 -6.569 4.772 -7.669 431 HG2 LYS 62 1HG LYS 62 -8.563 4.306 -8.817 432 HG3 LYS 62 2HG LYS 62 -7.262 3.900 -9.939 433 HD2 LYS 62 1HD LYS 62 -7.546 1.512 -8.829 434 HD3 LYS 62 2HD LYS 62 -9.172 2.122 -8.512 435 HE2 LYS 62 1HE LYS 62 -9.513 1.201 -10.569 436 HE3 LYS 62 2HE LYS 62 -9.014 2.819 -11.058 437 HZ1 LYS 62 1HZ LYS 62 -7.926 0.712 -12.112 438 HZ2 LYS 62 2HZ LYS 62 -6.959 0.753 -10.725 439 HZ3 LYS 62 3HZ LYS 62 -6.990 2.080 -11.773 440 H GLN 63 H GLN 63 -5.162 5.270 -9.414 441 HA GLN 63 HA GLN 63 -5.206 4.265 -12.087 442 HB2 GLN 63 1HB GLN 63 -4.563 6.665 -12.649 443 HB3 GLN 63 2HB GLN 63 -6.089 6.434 -11.805 444 HG2 GLN 63 1HG GLN 63 -5.218 7.226 -9.779 445 HG3 GLN 63 2HG GLN 63 -3.554 7.080 -10.343 446 HE21 GLN 63 1HE2 GLN 63 -6.564 8.680 -11.341 447 HE22 GLN 63 2HE2 GLN 63 -5.832 10.200 -11.714 448 H LYS 64 H LYS 64 -2.690 5.438 -9.904 449 HA LYS 64 HA LYS 64 -0.591 5.277 -11.832 450 HB2 LYS 64 1HB LYS 64 -0.478 5.369 -8.811 451 HB3 LYS 64 2HB LYS 64 0.906 5.562 -9.880 452 HG2 LYS 64 1HG LYS 64 -0.153 7.564 -10.847 453 HG3 LYS 64 2HG LYS 64 -1.485 7.385 -9.702 454 HD2 LYS 64 1HD LYS 64 0.104 7.614 -7.841 455 HD3 LYS 64 2HD LYS 64 1.419 7.826 -9.000 456 HE2 LYS 64 1HE LYS 64 -0.990 9.607 -9.065 457 HE3 LYS 64 2HE LYS 64 0.329 9.917 -7.936 458 HZ1 LYS 64 1HZ LYS 64 1.571 10.754 -9.556 459 HZ2 LYS 64 2HZ LYS 64 0.198 10.733 -10.544 460 HZ3 LYS 64 3HZ LYS 64 1.285 9.438 -10.580 461 H GLY 65 H GLY 65 1.392 3.874 -11.333 462 HA2 GLY 65 1HA GLY 65 0.541 1.131 -11.435 463 HA3 GLY 65 2HA GLY 65 2.193 1.717 -11.562 464 H TYR 66 H TYR 66 -0.066 0.156 -9.601 465 HA TYR 66 HA TYR 66 1.003 0.804 -7.045 466 HB2 TYR 66 1HB TYR 66 -0.429 -0.873 -6.184 467 HB3 TYR 66 2HB TYR 66 -1.295 -0.176 -7.548 468 HD1 TYR 66 2HD TYR 66 0.500 -3.132 -6.320 469 HD2 TYR 66 1HD TYR 66 -1.721 -1.467 -9.543 470 HE1 TYR 66 2HE TYR 66 0.253 -5.374 -7.300 471 HE2 TYR 66 1HE TYR 66 -1.976 -3.705 -10.532 472 HH TYR 66 HH TYR 66 -1.931 -6.212 -9.444 473 H PHE 67 H PHE 67 2.018 -0.829 -5.601 474 HA PHE 67 HA PHE 67 3.718 -2.759 -6.999 475 HB2 PHE 67 1HB PHE 67 4.646 -0.410 -5.393 476 HB3 PHE 67 2HB PHE 67 5.589 -1.896 -5.365 477 HD1 PHE 67 1HD PHE 67 3.944 0.355 -7.845 478 HD2 PHE 67 2HD PHE 67 7.288 -2.098 -6.889 479 HE1 PHE 67 1HE PHE 67 5.022 1.008 -9.958 480 HE2 PHE 67 2HE PHE 67 8.372 -1.449 -9.000 481 HZ PHE 67 HZ PHE 67 7.240 0.106 -10.537 482 H PHE 68 H PHE 68 4.935 -4.148 -5.383 483 HA PHE 68 HA PHE 68 3.496 -4.451 -2.850 484 HB2 PHE 68 1HB PHE 68 3.559 -6.389 -5.098 485 HB3 PHE 68 2HB PHE 68 3.758 -7.051 -3.479 486 HD1 PHE 68 2HD PHE 68 1.490 -5.250 -5.732 487 HD2 PHE 68 1HD PHE 68 1.947 -7.091 -1.922 488 HE1 PHE 68 2HE PHE 68 -0.947 -5.175 -5.408 489 HE2 PHE 68 1HE PHE 68 -0.491 -7.020 -1.592 490 HZ PHE 68 HZ PHE 68 -1.941 -6.060 -3.336 491 H VAL 69 H VAL 69 5.158 -4.015 -1.513 492 HA VAL 69 HA VAL 69 7.609 -5.625 -1.831 493 HB VAL 69 HB VAL 69 7.427 -2.896 -0.551 494 HG11 VAL 69 1HG1 VAL 69 9.998 -4.039 -1.446 495 HG12 VAL 69 2HG1 VAL 69 9.620 -3.064 -0.024 496 HG13 VAL 69 3HG1 VAL 69 9.256 -4.790 -0.034 497 HG21 VAL 69 1HG2 VAL 69 8.584 -2.057 -2.524 498 HG22 VAL 69 2HG2 VAL 69 8.530 -3.662 -3.254 499 HG23 VAL 69 3HG2 VAL 69 7.034 -2.772 -2.967 500 H GLU 70 H GLU 70 8.488 -6.577 -0.013 501 HA GLU 70 HA GLU 70 8.145 -7.857 1.888 502 HB2 GLU 70 1HB GLU 70 8.016 -6.141 3.903 503 HB3 GLU 70 2HB GLU 70 9.481 -6.334 2.952 504 HG2 GLU 70 1HG GLU 70 9.245 -4.313 1.912 505 HG3 GLU 70 2HG GLU 70 7.492 -4.299 2.097 506 H GLY 71 H GLY 71 5.673 -7.453 0.494 507 HA2 GLY 71 1HA GLY 71 3.462 -7.971 0.888 508 HA3 GLY 71 2HA GLY 71 3.862 -8.154 2.589 509 H GLU 72 H GLU 72 4.202 -5.306 0.503 510 HA GLU 72 HA GLU 72 1.970 -3.990 1.800 511 HB2 GLU 72 1HB GLU 72 3.934 -3.664 3.330 512 HB3 GLU 72 2HB GLU 72 4.736 -2.799 2.027 513 HG2 GLU 72 1HG GLU 72 3.413 -0.965 2.235 514 HG3 GLU 72 2HG GLU 72 2.028 -1.891 2.809 515 H LEU 73 H LEU 73 1.249 -2.145 0.703 516 HA LEU 73 HA LEU 73 2.057 -2.042 -2.076 517 HB2 LEU 73 1HB LEU 73 -0.229 -1.081 -0.466 518 HB3 LEU 73 2HB LEU 73 0.182 -0.130 -1.892 519 HG LEU 73 HG LEU 73 -0.220 -3.087 -2.126 520 HD11 LEU 73 1HD1 LEU 73 -2.179 -1.395 -1.092 521 HD12 LEU 73 2HD1 LEU 73 -2.408 -3.008 -1.766 522 HD13 LEU 73 3HD1 LEU 73 -2.586 -1.588 -2.797 523 HD21 LEU 73 1HD2 LEU 73 0.700 -1.546 -3.956 524 HD22 LEU 73 2HD2 LEU 73 -0.945 -0.919 -4.070 525 HD23 LEU 73 3HD2 LEU 73 -0.628 -2.627 -4.379 526 H TYR 74 H TYR 74 2.733 -0.160 -3.169 527 HA TYR 74 HA TYR 74 3.388 2.221 -1.675 528 HB2 TYR 74 1HB TYR 74 5.528 0.363 -2.701 529 HB3 TYR 74 2HB TYR 74 5.830 2.075 -2.423 530 HD1 TYR 74 2HD TYR 74 5.320 2.975 -0.055 531 HD2 TYR 74 1HD TYR 74 5.758 -1.160 -0.953 532 HE1 TYR 74 2HE TYR 74 5.776 2.514 2.318 533 HE2 TYR 74 1HE TYR 74 6.214 -1.633 1.417 534 HH TYR 74 HH TYR 74 6.767 0.884 3.719 535 H CYS 75 H CYS 75 4.172 3.953 -3.043 536 HA CYS 75 HA CYS 75 2.956 3.858 -5.654 537 HB2 CYS 75 1HB CYS 75 3.586 6.245 -5.775 538 HB3 CYS 75 2HB CYS 75 2.709 5.863 -4.296 539 H GLU 76 H GLU 76 4.064 4.516 -7.617 540 HA GLU 76 HA GLU 76 6.199 2.990 -8.328 541 HB2 GLU 76 1HB GLU 76 4.691 4.496 -9.780 542 HB3 GLU 76 2HB GLU 76 5.877 5.755 -9.466 543 HG2 GLU 76 1HG GLU 76 7.619 4.173 -10.368 544 HG3 GLU 76 2HG GLU 76 6.286 3.152 -10.904 545 H THR 77 H THR 77 6.289 6.182 -6.845 546 HA THR 77 HA THR 77 9.062 6.634 -7.124 547 HB THR 77 HB THR 77 7.210 7.703 -4.984 548 HG1 THR 77 1HG THR 77 7.560 9.569 -6.687 549 HG21 THR 77 1HG2 THR 77 9.565 9.211 -5.986 550 HG22 THR 77 2HG2 THR 77 9.868 7.861 -4.891 551 HG23 THR 77 3HG2 THR 77 8.830 9.194 -4.384 552 H HIS 78 H HIS 78 7.355 5.962 -4.067 553 HA HIS 78 HA HIS 78 9.615 5.217 -2.624 554 HB2 HIS 78 1HB HIS 78 6.686 4.651 -2.293 555 HB3 HIS 78 2HB HIS 78 7.858 3.916 -1.203 556 HD2 HIS 78 2HD HIS 78 9.749 6.374 -0.458 557 HE1 HIS 78 1HE HIS 78 6.180 8.509 0.378 558 HE2 HIS 78 2HE HIS 78 8.684 8.459 0.642 559 H ALA 79 H ALA 79 7.164 3.064 -4.071 560 HA ALA 79 HA ALA 79 8.192 0.619 -3.514 561 HB1 ALA 79 1HB ALA 79 6.801 -0.195 -5.099 562 HB2 ALA 79 2HB ALA 79 6.202 1.465 -5.100 563 HB3 ALA 79 3HB ALA 79 7.356 0.943 -6.327 564 H ARG 80 H ARG 80 9.116 2.576 -6.350 565 HA ARG 80 HA ARG 80 10.998 0.916 -7.465 566 HB2 ARG 80 1HB ARG 80 10.566 3.845 -7.421 567 HB3 ARG 80 2HB ARG 80 12.165 3.307 -7.917 568 HG2 ARG 80 1HG ARG 80 10.791 1.703 -9.476 569 HG3 ARG 80 2HG ARG 80 9.535 2.920 -9.247 570 HD2 ARG 80 1HD ARG 80 10.565 3.817 -11.065 571 HD3 ARG 80 2HD ARG 80 11.552 4.552 -9.803 572 HE ARG 80 HE ARG 80 13.327 3.226 -10.444 573 HH11 ARG 80 2HH1 ARG 80 10.418 2.193 -12.054 574 HH12 ARG 80 1HH1 ARG 80 11.246 1.146 -13.159 575 HH21 ARG 80 2HH2 ARG 80 14.428 1.852 -11.893 576 HH22 ARG 80 1HH2 ARG 80 13.527 0.952 -13.066 577 H ALA 81 H ALA 81 11.390 3.134 -4.747 578 HA ALA 81 HA ALA 81 14.177 2.900 -4.463 579 HB1 ALA 81 1HB ALA 81 12.076 4.206 -3.116 580 HB2 ALA 81 2HB ALA 81 12.945 3.257 -1.910 581 HB3 ALA 81 3HB ALA 81 13.812 4.431 -2.900 582 H ARG 82 H ARG 82 11.506 0.999 -3.144 583 HA ARG 82 HA ARG 82 13.164 -0.631 -1.485 584 HB2 ARG 82 1HB ARG 82 10.367 -1.161 -2.505 585 HB3 ARG 82 2HB ARG 82 11.163 -2.004 -1.183 586 HG2 ARG 82 1HG ARG 82 10.896 -0.269 0.273 587 HG3 ARG 82 2HG ARG 82 10.902 0.948 -1.005 588 HD2 ARG 82 1HD ARG 82 8.663 -0.199 -1.708 589 HD3 ARG 82 2HD ARG 82 8.671 -0.792 -0.047 590 HE ARG 82 HE ARG 82 8.013 1.824 -0.899 591 HH11 ARG 82 2HH1 ARG 82 9.654 0.104 1.646 592 HH12 ARG 82 1HH1 ARG 82 9.369 1.330 2.836 593 HH21 ARG 82 2HH2 ARG 82 7.631 3.445 0.660 594 HH22 ARG 82 1HH2 ARG 82 8.217 3.230 2.274 595 H THR 83 H THR 83 11.341 -1.365 -4.465 596 HA THR 83 HA THR 83 12.825 -3.808 -4.862 597 HB THR 83 HB THR 83 10.451 -3.698 -5.484 598 HG1 THR 83 1HG THR 83 12.330 -4.122 -7.576 599 HG21 THR 83 1HG2 THR 83 11.305 -1.292 -6.821 600 HG22 THR 83 2HG2 THR 83 9.671 -1.864 -6.485 601 HG23 THR 83 3HG2 THR 83 10.500 -2.377 -7.954 602 H SER 84 H SER 84 14.045 -0.991 -5.025 603 HA SER 84 HA SER 84 14.809 -0.333 -7.593 604 HB2 SER 84 1HB SER 84 15.345 1.086 -5.690 605 HB3 SER 84 2HB SER 84 16.438 -0.140 -5.048 606 HG SER 84 HG SER 84 17.853 0.257 -6.665 607 H GLY 85 H GLY 85 15.413 -1.856 -9.028 608 HA2 GLY 85 1HA GLY 85 17.142 -3.058 -10.082 609 HA3 GLY 85 2HA GLY 85 17.948 -3.218 -8.528 610 HA PRO 86 HA PRO 86 14.452 -6.547 -8.473 611 HB2 PRO 86 1HB PRO 86 12.989 -6.846 -10.740 612 HB3 PRO 86 2HB PRO 86 12.532 -5.737 -9.441 613 HG2 PRO 86 1HG PRO 86 13.925 -5.154 -12.026 614 HG3 PRO 86 2HG PRO 86 12.624 -4.252 -11.228 615 HD2 PRO 86 1HD PRO 86 15.220 -3.491 -11.094 616 HD3 PRO 86 2HD PRO 86 14.073 -3.209 -9.769 617 H SER 87 H SER 87 14.040 -8.679 -9.746 618 HA SER 87 HA SER 87 16.320 -10.008 -10.244 619 HB2 SER 87 1HB SER 87 13.866 -10.850 -10.296 620 HB3 SER 87 2HB SER 87 13.962 -10.552 -12.032 621 HG SER 87 HG SER 87 15.760 -11.967 -12.092 622 H SER 88 H SER 88 14.358 -8.678 -12.913 623 HA SER 88 HA SER 88 16.489 -8.989 -14.799 624 HB2 SER 88 1HB SER 88 14.985 -8.041 -16.408 625 HB3 SER 88 2HB SER 88 14.027 -9.085 -15.358 626 HG SER 88 HG SER 88 14.299 -6.309 -14.889 627 H GLY 89 H GLY 89 17.444 -7.230 -16.036 628 HA2 GLY 89 1HA GLY 89 18.826 -5.389 -14.578 629 HA3 GLY 89 2HA GLY 89 18.434 -5.161 -16.276 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.286 36.934 32.623 2 HA2 GLY 1 1HA GLY 1 4.127 35.705 34.173 3 HA3 GLY 1 2HA GLY 1 4.264 35.722 32.421 4 H SER 2 H SER 2 4.551 33.840 35.146 5 HA SER 2 HA SER 2 5.697 31.665 33.611 6 HB2 SER 2 1HB SER 2 7.520 31.187 35.054 7 HB3 SER 2 2HB SER 2 7.622 32.918 34.731 8 HG SER 2 HG SER 2 6.366 33.123 36.763 9 H SER 3 H SER 3 5.648 29.595 34.890 10 HA SER 3 HA SER 3 4.362 28.030 35.934 11 HB2 SER 3 1HB SER 3 4.633 30.242 37.919 12 HB3 SER 3 2HB SER 3 3.510 28.933 38.285 13 HG SER 3 HG SER 3 5.139 27.551 38.441 14 H GLY 4 H GLY 4 2.983 29.459 33.991 15 HA2 GLY 4 1HA GLY 4 0.289 29.665 35.193 16 HA3 GLY 4 2HA GLY 4 0.819 30.668 33.850 17 H SER 5 H SER 5 -0.207 27.478 34.828 18 HA SER 5 HA SER 5 -0.864 26.894 32.033 19 HB2 SER 5 1HB SER 5 -0.116 24.513 32.407 20 HB3 SER 5 2HB SER 5 1.192 25.694 32.343 21 HG SER 5 HG SER 5 1.575 24.415 34.102 22 H SER 6 H SER 6 -2.812 25.960 31.754 23 HA SER 6 HA SER 6 -4.239 25.046 34.165 24 HB2 SER 6 1HB SER 6 -5.489 26.440 31.789 25 HB3 SER 6 2HB SER 6 -6.289 25.985 33.292 26 HG SER 6 HG SER 6 -5.768 28.130 33.458 27 H GLY 7 H GLY 7 -5.871 23.418 33.828 28 HA2 GLY 7 1HA GLY 7 -5.546 21.905 31.316 29 HA3 GLY 7 2HA GLY 7 -5.432 21.096 32.873 30 H VAL 8 H VAL 8 -7.266 20.384 30.861 31 HA VAL 8 HA VAL 8 -9.748 20.741 32.346 32 HB VAL 8 HB VAL 8 -11.046 21.235 30.308 33 HG11 VAL 8 1HG1 VAL 8 -10.570 23.106 31.662 34 HG12 VAL 8 2HG1 VAL 8 -8.892 23.170 31.120 35 HG13 VAL 8 3HG1 VAL 8 -10.195 23.607 30.013 36 HG21 VAL 8 1HG2 VAL 8 -10.156 21.018 28.286 37 HG22 VAL 8 2HG2 VAL 8 -8.979 22.280 28.649 38 HG23 VAL 8 3HG2 VAL 8 -8.608 20.596 29.018 39 H ARG 9 H ARG 9 -10.757 18.854 32.546 40 HA ARG 9 HA ARG 9 -9.824 16.571 31.027 41 HB2 ARG 9 1HB ARG 9 -11.476 16.989 33.466 42 HB3 ARG 9 2HB ARG 9 -11.736 15.507 32.556 43 HG2 ARG 9 1HG ARG 9 -10.156 14.936 34.171 44 HG3 ARG 9 2HG ARG 9 -9.212 15.177 32.699 45 HD2 ARG 9 1HD ARG 9 -9.632 17.440 34.609 46 HD3 ARG 9 2HD ARG 9 -8.400 16.222 34.936 47 HE ARG 9 HE ARG 9 -8.356 18.238 32.859 48 HH11 ARG 9 2HH1 ARG 9 -7.011 15.267 34.076 49 HH12 ARG 9 1HH1 ARG 9 -5.523 15.430 33.202 50 HH21 ARG 9 2HH2 ARG 9 -6.403 18.465 31.704 51 HH22 ARG 9 1HH2 ARG 9 -5.178 17.250 31.854 52 H ALA 10 H ALA 10 -10.885 15.556 29.425 53 HA ALA 10 HA ALA 10 -13.586 16.528 28.751 54 HB1 ALA 10 1HB ALA 10 -13.007 16.851 26.612 55 HB2 ALA 10 2HB ALA 10 -11.351 16.852 27.221 56 HB3 ALA 10 3HB ALA 10 -12.042 15.376 26.549 57 HA PRO 11 HA PRO 11 -15.110 12.414 28.818 58 HB2 PRO 11 1HB PRO 11 -16.804 12.379 26.696 59 HB3 PRO 11 2HB PRO 11 -17.152 13.260 28.189 60 HG2 PRO 11 1HG PRO 11 -16.074 14.287 25.592 61 HG3 PRO 11 2HG PRO 11 -17.309 14.995 26.649 62 HD2 PRO 11 1HD PRO 11 -14.743 15.858 26.626 63 HD3 PRO 11 2HD PRO 11 -15.746 15.884 28.091 64 H VAL 12 H VAL 12 -15.069 10.356 27.785 65 HA VAL 12 HA VAL 12 -13.545 10.192 25.283 66 HB VAL 12 HB VAL 12 -11.909 9.886 27.063 67 HG11 VAL 12 1HG1 VAL 12 -14.044 8.331 28.244 68 HG12 VAL 12 2HG1 VAL 12 -12.523 7.436 28.215 69 HG13 VAL 12 3HG1 VAL 12 -12.603 9.018 28.992 70 HG21 VAL 12 1HG2 VAL 12 -12.111 8.384 24.895 71 HG22 VAL 12 2HG2 VAL 12 -10.859 8.098 26.104 72 HG23 VAL 12 3HG2 VAL 12 -12.318 7.106 26.093 73 H THR 13 H THR 13 -14.176 8.594 23.927 74 HA THR 13 HA THR 13 -16.643 7.247 24.498 75 HB THR 13 HB THR 13 -16.105 8.102 22.235 76 HG1 THR 13 1HG THR 13 -17.530 6.207 22.687 77 HG21 THR 13 1HG2 THR 13 -13.654 7.268 22.457 78 HG22 THR 13 2HG2 THR 13 -14.442 7.209 20.880 79 HG23 THR 13 3HG2 THR 13 -14.299 5.744 21.850 80 H LYS 14 H LYS 14 -16.862 5.347 25.462 81 HA LYS 14 HA LYS 14 -14.556 3.517 25.510 82 HB2 LYS 14 1HB LYS 14 -15.476 2.601 27.570 83 HB3 LYS 14 2HB LYS 14 -15.266 4.340 27.719 84 HG2 LYS 14 1HG LYS 14 -17.757 4.447 27.010 85 HG3 LYS 14 2HG LYS 14 -17.784 2.752 27.501 86 HD2 LYS 14 1HD LYS 14 -17.199 3.283 29.724 87 HD3 LYS 14 2HD LYS 14 -16.722 4.925 29.288 88 HE2 LYS 14 1HE LYS 14 -19.539 3.930 28.960 89 HE3 LYS 14 2HE LYS 14 -18.962 4.633 30.471 90 HZ1 LYS 14 1HZ LYS 14 -20.065 6.255 29.018 91 HZ2 LYS 14 2HZ LYS 14 -18.884 5.999 27.835 92 HZ3 LYS 14 3HZ LYS 14 -18.454 6.669 29.328 93 H VAL 15 H VAL 15 -17.920 3.854 24.707 94 HA VAL 15 HA VAL 15 -18.610 1.133 24.483 95 HB VAL 15 HB VAL 15 -20.444 1.884 23.029 96 HG11 VAL 15 1HG1 VAL 15 -21.004 2.059 25.274 97 HG12 VAL 15 2HG1 VAL 15 -19.861 3.372 25.561 98 HG13 VAL 15 3HG1 VAL 15 -21.347 3.676 24.660 99 HG21 VAL 15 1HG2 VAL 15 -19.434 4.694 23.290 100 HG22 VAL 15 2HG2 VAL 15 -18.945 3.673 21.937 101 HG23 VAL 15 3HG2 VAL 15 -20.650 4.048 22.188 102 H HIS 16 H HIS 16 -18.549 -0.299 22.789 103 HA HIS 16 HA HIS 16 -17.645 0.447 20.175 104 HB2 HIS 16 1HB HIS 16 -15.509 -0.448 20.138 105 HB3 HIS 16 2HB HIS 16 -15.557 0.263 21.748 106 HD1 HIS 16 1HD HIS 16 -14.126 -2.488 20.383 107 HD2 HIS 16 2HD HIS 16 -16.897 -2.108 23.456 108 HE1 HIS 16 1HE HIS 16 -13.920 -4.596 21.739 109 HE2 HIS 16 2HE HIS 16 -15.665 -4.381 23.542 110 H GLY 17 H GLY 17 -17.212 -1.633 18.840 111 HA2 GLY 17 1HA GLY 17 -17.762 -4.143 19.116 112 HA3 GLY 17 2HA GLY 17 -19.349 -3.526 19.550 113 H GLY 18 H GLY 18 -18.996 -5.291 17.439 114 HA2 GLY 18 1HA GLY 18 -20.378 -4.000 15.371 115 HA3 GLY 18 2HA GLY 18 -18.681 -4.070 14.922 116 H ALA 19 H ALA 19 -21.414 -6.081 15.944 117 HA ALA 19 HA ALA 19 -20.156 -8.369 14.585 118 HB1 ALA 19 1HB ALA 19 -21.163 -9.795 16.060 119 HB2 ALA 19 2HB ALA 19 -20.972 -8.376 17.091 120 HB3 ALA 19 3HB ALA 19 -22.531 -8.717 16.341 121 H GLY 20 H GLY 20 -20.824 -8.482 12.531 122 HA2 GLY 20 1HA GLY 20 -23.196 -9.337 11.627 123 HA3 GLY 20 2HA GLY 20 -23.494 -7.612 11.787 124 H SER 21 H SER 21 -21.342 -9.976 10.260 125 HA SER 21 HA SER 21 -21.367 -8.428 7.817 126 HB2 SER 21 1HB SER 21 -19.465 -7.539 9.310 127 HB3 SER 21 2HB SER 21 -18.668 -9.079 8.990 128 HG SER 21 HG SER 21 -19.546 -8.080 6.682 129 H ALA 22 H ALA 22 -21.841 -9.919 6.355 130 HA ALA 22 HA ALA 22 -21.301 -12.695 6.729 131 HB1 ALA 22 1HB ALA 22 -22.872 -11.082 4.961 132 HB2 ALA 22 2HB ALA 22 -21.936 -12.250 4.027 133 HB3 ALA 22 3HB ALA 22 -23.006 -12.805 5.314 134 H GLN 23 H GLN 23 -20.341 -13.907 4.709 135 HA GLN 23 HA GLN 23 -17.712 -12.692 4.184 136 HB2 GLN 23 1HB GLN 23 -18.021 -14.936 5.508 137 HB3 GLN 23 2HB GLN 23 -18.231 -15.627 3.905 138 HG2 GLN 23 1HG GLN 23 -16.039 -14.714 3.254 139 HG3 GLN 23 2HG GLN 23 -15.828 -14.110 4.897 140 HE21 GLN 23 1HE2 GLN 23 -15.061 -16.552 2.861 141 HE22 GLN 23 2HE2 GLN 23 -14.726 -17.800 4.007 142 H ARG 24 H ARG 24 -20.377 -12.598 2.669 143 HA ARG 24 HA ARG 24 -19.777 -13.940 0.185 144 HB2 ARG 24 1HB ARG 24 -22.019 -12.285 1.238 145 HB3 ARG 24 2HB ARG 24 -21.821 -12.386 -0.506 146 HG2 ARG 24 1HG ARG 24 -23.357 -14.069 0.088 147 HG3 ARG 24 2HG ARG 24 -21.832 -14.891 -0.246 148 HD2 ARG 24 1HD ARG 24 -22.461 -14.049 2.546 149 HD3 ARG 24 2HD ARG 24 -23.236 -15.488 1.885 150 HE ARG 24 HE ARG 24 -20.562 -15.277 2.783 151 HH11 ARG 24 2HH1 ARG 24 -22.512 -16.746 0.302 152 HH12 ARG 24 1HH1 ARG 24 -21.440 -18.087 0.071 153 HH21 ARG 24 2HH2 ARG 24 -19.142 -17.037 2.488 154 HH22 ARG 24 1HH2 ARG 24 -19.524 -18.252 1.315 155 H MET 25 H MET 25 -18.162 -11.601 1.430 156 HA MET 25 HA MET 25 -17.527 -10.378 -1.101 157 HB2 MET 25 1HB MET 25 -18.080 -8.164 -0.633 158 HB3 MET 25 2HB MET 25 -19.470 -9.053 -0.022 159 HG2 MET 25 1HG MET 25 -17.182 -7.994 1.621 160 HG3 MET 25 2HG MET 25 -18.798 -7.301 1.515 161 HE1 MET 25 1HE MET 25 -17.044 -10.254 4.152 162 HE2 MET 25 2HE MET 25 -16.514 -8.761 3.378 163 HE3 MET 25 3HE MET 25 -17.561 -8.696 4.797 164 HA PRO 26 HA PRO 26 -13.516 -10.240 0.679 165 HB2 PRO 26 1HB PRO 26 -12.419 -8.151 -0.664 166 HB3 PRO 26 2HB PRO 26 -12.735 -9.718 -1.418 167 HG2 PRO 26 1HG PRO 26 -14.348 -7.199 -1.534 168 HG3 PRO 26 2HG PRO 26 -13.947 -8.331 -2.838 169 HD2 PRO 26 1HD PRO 26 -16.350 -8.339 -1.591 170 HD3 PRO 26 2HD PRO 26 -15.600 -9.816 -2.228 171 H LEU 27 H LEU 27 -12.444 -9.320 2.363 172 HA LEU 27 HA LEU 27 -13.644 -6.913 3.528 173 HB2 LEU 27 1HB LEU 27 -13.170 -9.260 4.697 174 HB3 LEU 27 2HB LEU 27 -11.610 -8.496 4.994 175 HG LEU 27 HG LEU 27 -12.998 -8.194 6.922 176 HD11 LEU 27 1HD1 LEU 27 -11.806 -6.118 5.510 177 HD12 LEU 27 2HD1 LEU 27 -12.257 -6.121 7.214 178 HD13 LEU 27 3HD1 LEU 27 -13.374 -5.481 6.009 179 HD21 LEU 27 1HD2 LEU 27 -15.040 -7.478 4.895 180 HD22 LEU 27 2HD2 LEU 27 -15.092 -6.625 6.438 181 HD23 LEU 27 3HD2 LEU 27 -15.201 -8.385 6.399 182 H CYS 28 H CYS 28 -12.628 -5.031 3.403 183 HA CYS 28 HA CYS 28 -10.265 -4.573 2.054 184 HB2 CYS 28 1HB CYS 28 -11.905 -2.815 2.574 185 HB3 CYS 28 2HB CYS 28 -11.455 -2.897 4.274 186 H ASP 29 H ASP 29 -8.203 -3.720 2.884 187 HA ASP 29 HA ASP 29 -7.370 -5.189 5.296 188 HB2 ASP 29 1HB ASP 29 -6.331 -5.810 3.063 189 HB3 ASP 29 2HB ASP 29 -5.560 -4.226 3.082 190 H LYS 30 H LYS 30 -7.437 -2.095 3.711 191 HA LYS 30 HA LYS 30 -5.580 -0.766 5.398 192 HB2 LYS 30 1HB LYS 30 -6.377 0.020 3.133 193 HB3 LYS 30 2HB LYS 30 -7.885 0.490 3.906 194 HG2 LYS 30 1HG LYS 30 -6.845 2.479 4.062 195 HG3 LYS 30 2HG LYS 30 -6.154 1.753 5.515 196 HD2 LYS 30 1HD LYS 30 -4.173 1.095 4.275 197 HD3 LYS 30 2HD LYS 30 -4.873 1.723 2.781 198 HE2 LYS 30 1HE LYS 30 -3.295 3.321 3.657 199 HE3 LYS 30 2HE LYS 30 -4.926 3.975 3.798 200 HZ1 LYS 30 1HZ LYS 30 -3.300 4.136 5.786 201 HZ2 LYS 30 2HZ LYS 30 -3.740 2.528 6.067 202 HZ3 LYS 30 3HZ LYS 30 -4.921 3.739 6.070 203 H CYS 31 H CYS 31 -9.144 -0.788 5.349 204 HA CYS 31 HA CYS 31 -9.104 0.183 8.128 205 HB2 CYS 31 1HB CYS 31 -11.369 1.002 7.745 206 HB3 CYS 31 2HB CYS 31 -10.276 1.651 6.527 207 H GLY 32 H GLY 32 -10.218 -2.338 5.992 208 HA2 GLY 32 1HA GLY 32 -10.852 -4.499 6.549 209 HA3 GLY 32 2HA GLY 32 -10.750 -4.057 8.247 210 H SER 33 H SER 33 -12.672 -2.433 5.774 211 HA SER 33 HA SER 33 -15.080 -3.150 7.307 212 HB2 SER 33 1HB SER 33 -14.287 -0.713 5.766 213 HB3 SER 33 2HB SER 33 -15.999 -1.119 5.885 214 HG SER 33 HG SER 33 -14.182 -0.454 7.931 215 H GLY 34 H GLY 34 -16.436 -4.546 6.409 216 HA2 GLY 34 1HA GLY 34 -16.267 -6.023 4.230 217 HA3 GLY 34 2HA GLY 34 -17.830 -5.390 4.723 218 H ILE 35 H ILE 35 -16.104 -5.843 2.097 219 HA ILE 35 HA ILE 35 -16.658 -3.225 0.886 220 HB ILE 35 HB ILE 35 -15.071 -5.496 -0.309 221 HG12 ILE 35 1HG1 ILE 35 -13.815 -3.018 0.804 222 HG13 ILE 35 2HG1 ILE 35 -14.237 -4.329 1.900 223 HG21 ILE 35 1HG2 ILE 35 -15.775 -4.091 -2.043 224 HG22 ILE 35 2HG2 ILE 35 -15.540 -2.635 -1.078 225 HG23 ILE 35 3HG2 ILE 35 -14.144 -3.538 -1.666 226 HD11 ILE 35 1HD1 ILE 35 -11.863 -4.230 0.916 227 HD12 ILE 35 2HD1 ILE 35 -12.706 -5.779 0.952 228 HD13 ILE 35 3HD1 ILE 35 -12.614 -4.860 -0.550 229 H VAL 36 H VAL 36 -18.407 -2.993 -0.327 230 HA VAL 36 HA VAL 36 -19.335 -5.161 -2.020 231 HB VAL 36 HB VAL 36 -20.565 -5.653 -0.004 232 HG11 VAL 36 1HG1 VAL 36 -21.186 -4.087 1.442 233 HG12 VAL 36 2HG1 VAL 36 -20.533 -2.860 0.355 234 HG13 VAL 36 3HG1 VAL 36 -22.227 -3.337 0.233 235 HG21 VAL 36 1HG2 VAL 36 -22.186 -6.191 -1.431 236 HG22 VAL 36 2HG2 VAL 36 -22.917 -4.624 -1.081 237 HG23 VAL 36 3HG2 VAL 36 -21.829 -4.802 -2.457 238 H GLY 37 H GLY 37 -19.459 -4.190 -3.935 239 HA2 GLY 37 1HA GLY 37 -20.961 -2.743 -5.269 240 HA3 GLY 37 2HA GLY 37 -20.700 -1.509 -4.046 241 H ALA 38 H ALA 38 -17.914 -1.839 -3.717 242 HA ALA 38 HA ALA 38 -16.658 -1.561 -6.300 243 HB1 ALA 38 1HB ALA 38 -16.586 0.653 -6.487 244 HB2 ALA 38 2HB ALA 38 -17.768 0.730 -5.180 245 HB3 ALA 38 3HB ALA 38 -16.046 0.841 -4.819 246 H VAL 39 H VAL 39 -14.759 -2.529 -6.097 247 HA VAL 39 HA VAL 39 -13.165 -2.081 -3.679 248 HB VAL 39 HB VAL 39 -14.441 -4.267 -3.507 249 HG11 VAL 39 1HG1 VAL 39 -14.110 -5.991 -4.945 250 HG12 VAL 39 2HG1 VAL 39 -13.797 -4.665 -6.067 251 HG13 VAL 39 3HG1 VAL 39 -12.451 -5.515 -5.308 252 HG21 VAL 39 1HG2 VAL 39 -11.457 -4.634 -3.529 253 HG22 VAL 39 2HG2 VAL 39 -12.284 -3.655 -2.317 254 HG23 VAL 39 3HG2 VAL 39 -12.643 -5.376 -2.456 255 H VAL 40 H VAL 40 -10.891 -2.883 -3.968 256 HA VAL 40 HA VAL 40 -10.037 -2.828 -6.780 257 HB VAL 40 HB VAL 40 -8.811 -1.192 -4.556 258 HG11 VAL 40 1HG1 VAL 40 -7.954 -1.524 -7.429 259 HG12 VAL 40 2HG1 VAL 40 -7.273 -0.364 -6.287 260 HG13 VAL 40 3HG1 VAL 40 -7.086 -2.095 -6.005 261 HG21 VAL 40 1HG2 VAL 40 -10.519 -0.529 -6.919 262 HG22 VAL 40 2HG2 VAL 40 -10.649 0.032 -5.252 263 HG23 VAL 40 3HG2 VAL 40 -9.370 0.655 -6.295 264 H LYS 41 H LYS 41 -9.315 -4.876 -6.965 265 HA LYS 41 HA LYS 41 -7.430 -5.865 -4.932 266 HB2 LYS 41 1HB LYS 41 -8.993 -7.528 -4.966 267 HB3 LYS 41 2HB LYS 41 -9.486 -7.178 -6.617 268 HG2 LYS 41 1HG LYS 41 -7.158 -8.149 -7.238 269 HG3 LYS 41 2HG LYS 41 -7.241 -8.878 -5.633 270 HD2 LYS 41 1HD LYS 41 -9.618 -9.630 -6.416 271 HD3 LYS 41 2HD LYS 41 -8.957 -9.362 -8.031 272 HE2 LYS 41 1HE LYS 41 -7.022 -10.839 -7.334 273 HE3 LYS 41 2HE LYS 41 -7.975 -11.261 -5.913 274 HZ1 LYS 41 1HZ LYS 41 -8.161 -12.291 -8.530 275 HZ2 LYS 41 2HZ LYS 41 -9.633 -11.570 -8.115 276 HZ3 LYS 41 3HZ LYS 41 -8.982 -12.786 -7.137 277 H ALA 42 H ALA 42 -5.359 -5.881 -5.476 278 HA ALA 42 HA ALA 42 -4.530 -5.395 -8.188 279 HB1 ALA 42 1HB ALA 42 -2.206 -5.692 -7.095 280 HB2 ALA 42 2HB ALA 42 -3.188 -4.296 -6.649 281 HB3 ALA 42 3HB ALA 42 -3.102 -5.692 -5.575 282 H ARG 43 H ARG 43 -3.094 -7.784 -6.004 283 HA ARG 43 HA ARG 43 -2.974 -9.666 -8.244 284 HB2 ARG 43 1HB ARG 43 -1.514 -9.542 -5.606 285 HB3 ARG 43 2HB ARG 43 -1.398 -10.914 -6.700 286 HG2 ARG 43 1HG ARG 43 -0.286 -9.670 -8.332 287 HG3 ARG 43 2HG ARG 43 -0.773 -8.131 -7.617 288 HD2 ARG 43 1HD ARG 43 0.736 -8.368 -5.825 289 HD3 ARG 43 2HD ARG 43 0.993 -10.080 -6.165 290 HE ARG 43 HE ARG 43 2.164 -7.820 -7.598 291 HH11 ARG 43 2HH1 ARG 43 1.785 -11.261 -7.237 292 HH12 ARG 43 1HH1 ARG 43 3.161 -11.647 -8.216 293 HH21 ARG 43 2HH2 ARG 43 3.978 -8.315 -8.889 294 HH22 ARG 43 1HH2 ARG 43 4.408 -9.970 -9.155 295 H ASP 44 H ASP 44 -3.100 -10.360 -4.776 296 HA ASP 44 HA ASP 44 -5.443 -12.074 -5.288 297 HB2 ASP 44 1HB ASP 44 -4.629 -13.575 -3.541 298 HB3 ASP 44 2HB ASP 44 -3.408 -13.373 -4.794 299 H LYS 45 H LYS 45 -4.083 -9.545 -3.409 300 HA LYS 45 HA LYS 45 -6.064 -9.748 -1.295 301 HB2 LYS 45 1HB LYS 45 -3.662 -8.056 -1.812 302 HB3 LYS 45 2HB LYS 45 -4.901 -7.430 -0.732 303 HG2 LYS 45 1HG LYS 45 -4.646 -9.828 0.356 304 HG3 LYS 45 2HG LYS 45 -3.043 -9.712 -0.374 305 HD2 LYS 45 1HD LYS 45 -4.241 -7.605 1.420 306 HD3 LYS 45 2HD LYS 45 -3.167 -8.888 1.982 307 HE2 LYS 45 1HE LYS 45 -2.323 -7.138 -0.287 308 HE3 LYS 45 2HE LYS 45 -2.208 -6.536 1.366 309 HZ1 LYS 45 1HZ LYS 45 -0.752 -8.295 1.944 310 HZ2 LYS 45 2HZ LYS 45 -0.164 -7.637 0.502 311 HZ3 LYS 45 3HZ LYS 45 -1.012 -9.101 0.479 312 H TYR 46 H TYR 46 -7.274 -7.710 -0.698 313 HA TYR 46 HA TYR 46 -8.152 -6.250 -3.097 314 HB2 TYR 46 1HB TYR 46 -9.956 -7.367 -0.940 315 HB3 TYR 46 2HB TYR 46 -10.476 -6.382 -2.303 316 HD1 TYR 46 1HD TYR 46 -8.414 -9.466 -1.789 317 HD2 TYR 46 2HD TYR 46 -11.494 -7.542 -4.006 318 HE1 TYR 46 1HE TYR 46 -8.704 -11.501 -3.140 319 HE2 TYR 46 2HE TYR 46 -11.793 -9.572 -5.363 320 HH TYR 46 HH TYR 46 -9.917 -12.511 -4.710 321 H ARG 47 H ARG 47 -8.886 -4.133 -2.763 322 HA ARG 47 HA ARG 47 -8.743 -3.020 -0.076 323 HB2 ARG 47 1HB ARG 47 -7.034 -1.983 -2.345 324 HB3 ARG 47 2HB ARG 47 -7.202 -1.229 -0.765 325 HG2 ARG 47 1HG ARG 47 -6.303 -4.056 -0.878 326 HG3 ARG 47 2HG ARG 47 -5.165 -2.791 -1.345 327 HD2 ARG 47 1HD ARG 47 -5.620 -1.661 0.819 328 HD3 ARG 47 2HD ARG 47 -6.629 -3.032 1.279 329 HE ARG 47 HE ARG 47 -4.700 -4.365 1.454 330 HH11 ARG 47 2HH1 ARG 47 -3.979 -1.077 0.562 331 HH12 ARG 47 1HH1 ARG 47 -2.299 -1.199 0.966 332 HH21 ARG 47 2HH2 ARG 47 -2.490 -4.537 1.988 333 HH22 ARG 47 1HH2 ARG 47 -1.452 -3.168 1.776 334 H HIS 48 H HIS 48 -9.968 -1.184 0.202 335 HA HIS 48 HA HIS 48 -12.148 -0.765 -1.469 336 HB2 HIS 48 1HB HIS 48 -10.924 0.727 0.799 337 HB3 HIS 48 2HB HIS 48 -12.112 1.576 -0.186 338 HD2 HIS 48 2HD HIS 48 -14.370 -0.689 -0.545 339 HE1 HIS 48 1HE HIS 48 -14.217 -1.051 3.679 340 HE2 HIS 48 2HE HIS 48 -15.508 -1.606 1.589 341 HA PRO 49 HA PRO 49 -10.879 1.913 -4.701 342 HB2 PRO 49 1HB PRO 49 -12.945 3.666 -4.876 343 HB3 PRO 49 2HB PRO 49 -13.070 1.979 -5.389 344 HG2 PRO 49 1HG PRO 49 -13.971 3.254 -2.835 345 HG3 PRO 49 2HG PRO 49 -14.809 2.064 -3.848 346 HD2 PRO 49 1HD PRO 49 -13.489 1.379 -1.586 347 HD3 PRO 49 2HD PRO 49 -13.605 0.297 -2.989 348 H GLU 50 H GLU 50 -11.279 3.118 -1.545 349 HA GLU 50 HA GLU 50 -9.948 5.640 -2.289 350 HB2 GLU 50 1HB GLU 50 -10.978 6.713 -0.410 351 HB3 GLU 50 2HB GLU 50 -12.240 5.900 -1.325 352 HG2 GLU 50 1HG GLU 50 -11.793 3.957 0.370 353 HG3 GLU 50 2HG GLU 50 -11.130 5.257 1.359 354 H CYS 51 H CYS 51 -9.927 2.822 -0.263 355 HA CYS 51 HA CYS 51 -7.920 3.711 1.555 356 HB2 CYS 51 1HB CYS 51 -8.951 0.965 0.837 357 HB3 CYS 51 2HB CYS 51 -7.721 1.237 2.068 358 H PHE 52 H PHE 52 -7.899 1.987 -1.508 359 HA PHE 52 HA PHE 52 -5.314 1.021 -1.567 360 HB2 PHE 52 1HB PHE 52 -7.299 0.958 -3.330 361 HB3 PHE 52 2HB PHE 52 -6.390 2.286 -4.045 362 HD1 PHE 52 2HD PHE 52 -5.358 -0.906 -2.414 363 HD2 PHE 52 1HD PHE 52 -5.259 1.540 -5.895 364 HE1 PHE 52 2HE PHE 52 -3.860 -2.525 -3.505 365 HE2 PHE 52 1HE PHE 52 -3.762 -0.075 -6.992 366 HZ PHE 52 HZ PHE 52 -3.060 -2.110 -5.797 367 H VAL 53 H VAL 53 -3.642 2.206 -0.836 368 HA VAL 53 HA VAL 53 -2.713 4.399 -2.444 369 HB VAL 53 HB VAL 53 -2.590 6.073 -0.706 370 HG11 VAL 53 1HG1 VAL 53 -4.955 6.614 -0.467 371 HG12 VAL 53 2HG1 VAL 53 -4.609 6.014 -2.091 372 HG13 VAL 53 3HG1 VAL 53 -5.388 4.962 -0.908 373 HG21 VAL 53 1HG2 VAL 53 -2.324 4.861 1.285 374 HG22 VAL 53 2HG2 VAL 53 -3.899 5.637 1.444 375 HG23 VAL 53 3HG2 VAL 53 -3.797 3.929 1.017 376 H CYS 54 H CYS 54 -0.632 5.332 -1.421 377 HA CYS 54 HA CYS 54 1.146 3.167 -0.981 378 HB2 CYS 54 1HB CYS 54 1.691 5.386 -2.086 379 HB3 CYS 54 2HB CYS 54 1.737 6.083 -0.470 380 H ALA 55 H ALA 55 2.750 3.211 0.880 381 HA ALA 55 HA ALA 55 1.237 3.479 3.386 382 HB1 ALA 55 1HB ALA 55 2.792 1.842 4.319 383 HB2 ALA 55 2HB ALA 55 2.000 1.220 2.871 384 HB3 ALA 55 3HB ALA 55 3.666 1.794 2.788 385 H ASP 56 H ASP 56 3.531 5.074 1.626 386 HA ASP 56 HA ASP 56 4.837 6.151 4.039 387 HB2 ASP 56 1HB ASP 56 6.209 4.993 2.137 388 HB3 ASP 56 2HB ASP 56 5.962 6.513 1.283 389 H CYS 57 H CYS 57 3.356 6.962 0.940 390 HA CYS 57 HA CYS 57 3.089 9.745 1.876 391 HB2 CYS 57 1HB CYS 57 2.959 10.372 -0.536 392 HB3 CYS 57 2HB CYS 57 4.512 9.685 -0.072 393 H ASN 58 H ASN 58 1.462 6.902 1.131 394 HA ASN 58 HA ASN 58 -0.739 6.344 0.992 395 HB2 ASN 58 1HB ASN 58 -0.748 8.048 2.950 396 HB3 ASN 58 2HB ASN 58 -1.481 9.147 1.785 397 HD21 ASN 58 1HD2 ASN 58 -1.881 6.225 3.620 398 HD22 ASN 58 2HD2 ASN 58 -3.586 6.071 3.386 399 H LEU 59 H LEU 59 0.437 7.044 -1.378 400 HA LEU 59 HA LEU 59 -1.357 8.866 -2.771 401 HB2 LEU 59 1HB LEU 59 1.253 8.521 -3.057 402 HB3 LEU 59 2HB LEU 59 0.720 7.281 -4.190 403 HG LEU 59 HG LEU 59 0.000 10.207 -4.344 404 HD11 LEU 59 1HD1 LEU 59 1.534 10.347 -6.178 405 HD12 LEU 59 2HD1 LEU 59 1.888 8.623 -6.076 406 HD13 LEU 59 3HD1 LEU 59 2.395 9.704 -4.779 407 HD21 LEU 59 1HD2 LEU 59 -0.353 8.833 -6.789 408 HD22 LEU 59 2HD2 LEU 59 -1.580 9.588 -5.771 409 HD23 LEU 59 3HD2 LEU 59 -1.159 7.892 -5.533 410 H ASN 60 H ASN 60 -2.975 8.261 -4.082 411 HA ASN 60 HA ASN 60 -4.101 5.733 -3.984 412 HB2 ASN 60 1HB ASN 60 -4.913 8.119 -4.959 413 HB3 ASN 60 2HB ASN 60 -4.582 7.274 -6.469 414 HD21 ASN 60 1HD2 ASN 60 -6.100 6.595 -3.331 415 HD22 ASN 60 2HD2 ASN 60 -7.486 5.796 -3.985 416 H LEU 61 H LEU 61 -3.061 3.929 -4.564 417 HA LEU 61 HA LEU 61 -1.348 3.895 -6.912 418 HB2 LEU 61 1HB LEU 61 -2.014 1.586 -5.106 419 HB3 LEU 61 2HB LEU 61 -0.634 1.750 -6.189 420 HG LEU 61 HG LEU 61 -1.069 3.416 -3.712 421 HD11 LEU 61 1HD1 LEU 61 -0.080 0.724 -4.034 422 HD12 LEU 61 2HD1 LEU 61 -0.396 1.641 -2.561 423 HD13 LEU 61 3HD1 LEU 61 1.161 1.791 -3.375 424 HD21 LEU 61 1HD2 LEU 61 0.944 3.370 -5.878 425 HD22 LEU 61 2HD2 LEU 61 1.550 3.565 -4.233 426 HD23 LEU 61 3HD2 LEU 61 0.375 4.710 -4.882 427 H LYS 62 H LYS 62 -4.438 4.003 -6.837 428 HA LYS 62 HA LYS 62 -5.403 1.605 -7.969 429 HB2 LYS 62 1HB LYS 62 -7.022 3.066 -7.072 430 HB3 LYS 62 2HB LYS 62 -6.403 4.443 -7.975 431 HG2 LYS 62 1HG LYS 62 -8.381 3.889 -9.063 432 HG3 LYS 62 2HG LYS 62 -7.125 3.162 -10.068 433 HD2 LYS 62 1HD LYS 62 -7.531 1.042 -8.663 434 HD3 LYS 62 2HD LYS 62 -9.032 1.830 -8.172 435 HE2 LYS 62 1HE LYS 62 -9.720 2.009 -10.496 436 HE3 LYS 62 2HE LYS 62 -8.196 1.294 -11.021 437 HZ1 LYS 62 1HZ LYS 62 -9.497 -0.363 -9.116 438 HZ2 LYS 62 2HZ LYS 62 -9.005 -0.729 -10.692 439 HZ3 LYS 62 3HZ LYS 62 -10.525 -0.040 -10.420 440 H GLN 63 H GLN 63 -4.959 4.733 -9.630 441 HA GLN 63 HA GLN 63 -4.899 3.464 -12.200 442 HB2 GLN 63 1HB GLN 63 -4.333 5.797 -12.994 443 HB3 GLN 63 2HB GLN 63 -5.854 5.636 -12.127 444 HG2 GLN 63 1HG GLN 63 -4.954 6.622 -10.177 445 HG3 GLN 63 2HG GLN 63 -3.309 6.520 -10.802 446 HE21 GLN 63 1HE2 GLN 63 -6.462 7.891 -11.682 447 HE22 GLN 63 2HE2 GLN 63 -5.837 9.390 -12.273 448 H LYS 64 H LYS 64 -2.510 4.960 -10.065 449 HA LYS 64 HA LYS 64 -0.325 4.684 -11.864 450 HB2 LYS 64 1HB LYS 64 -0.319 4.979 -8.854 451 HB3 LYS 64 2HB LYS 64 1.076 5.189 -9.905 452 HG2 LYS 64 1HG LYS 64 -0.058 7.073 -11.003 453 HG3 LYS 64 2HG LYS 64 -1.416 6.880 -9.892 454 HD2 LYS 64 1HD LYS 64 0.079 7.311 -7.998 455 HD3 LYS 64 2HD LYS 64 1.433 7.510 -9.113 456 HE2 LYS 64 1HE LYS 64 0.556 9.673 -8.434 457 HE3 LYS 64 2HE LYS 64 0.287 9.408 -10.155 458 HZ1 LYS 64 1HZ LYS 64 -1.649 10.357 -8.988 459 HZ2 LYS 64 2HZ LYS 64 -1.759 8.952 -8.054 460 HZ3 LYS 64 3HZ LYS 64 -1.992 8.875 -9.728 461 H GLY 65 H GLY 65 1.273 3.134 -11.981 462 HA2 GLY 65 1HA GLY 65 0.599 0.475 -11.598 463 HA3 GLY 65 2HA GLY 65 2.244 1.061 -11.792 464 H TYR 66 H TYR 66 -0.086 -0.201 -9.625 465 HA TYR 66 HA TYR 66 1.028 0.560 -7.161 466 HB2 TYR 66 1HB TYR 66 -0.297 -1.184 -6.188 467 HB3 TYR 66 2HB TYR 66 -1.231 -0.487 -7.507 468 HD1 TYR 66 2HD TYR 66 0.727 -3.419 -6.438 469 HD2 TYR 66 1HD TYR 66 -1.821 -1.786 -9.429 470 HE1 TYR 66 2HE TYR 66 0.453 -5.658 -7.419 471 HE2 TYR 66 1HE TYR 66 -2.103 -4.021 -10.417 472 HH TYR 66 HH TYR 66 -0.422 -6.314 -10.291 473 H PHE 67 H PHE 67 1.940 -1.154 -5.600 474 HA PHE 67 HA PHE 67 3.828 -2.955 -6.924 475 HB2 PHE 67 1HB PHE 67 4.520 -0.555 -5.314 476 HB3 PHE 67 2HB PHE 67 5.474 -2.007 -5.028 477 HD1 PHE 67 1HD PHE 67 4.233 0.126 -7.818 478 HD2 PHE 67 2HD PHE 67 7.315 -2.417 -6.349 479 HE1 PHE 67 1HE PHE 67 5.597 0.638 -9.801 480 HE2 PHE 67 2HE PHE 67 8.683 -1.908 -8.329 481 HZ PHE 67 HZ PHE 67 7.825 -0.378 -10.058 482 H PHE 68 H PHE 68 5.139 -4.129 -5.060 483 HA PHE 68 HA PHE 68 3.517 -4.621 -2.703 484 HB2 PHE 68 1HB PHE 68 3.759 -6.528 -4.971 485 HB3 PHE 68 2HB PHE 68 3.862 -7.198 -3.347 486 HD1 PHE 68 1HD PHE 68 1.967 -6.718 -1.734 487 HD2 PHE 68 2HD PHE 68 1.698 -5.992 -5.919 488 HE1 PHE 68 1HE PHE 68 -0.487 -6.696 -1.569 489 HE2 PHE 68 2HE PHE 68 -0.757 -5.968 -5.761 490 HZ PHE 68 HZ PHE 68 -1.853 -6.320 -3.584 491 H VAL 69 H VAL 69 5.104 -4.162 -1.284 492 HA VAL 69 HA VAL 69 7.550 -5.798 -1.435 493 HB VAL 69 HB VAL 69 7.459 -2.961 -0.407 494 HG11 VAL 69 1HG1 VAL 69 9.179 -4.518 0.534 495 HG12 VAL 69 2HG1 VAL 69 9.836 -4.678 -1.096 496 HG13 VAL 69 3HG1 VAL 69 9.837 -3.107 -0.294 497 HG21 VAL 69 1HG2 VAL 69 8.969 -2.693 -2.552 498 HG22 VAL 69 2HG2 VAL 69 8.009 -4.059 -3.119 499 HG23 VAL 69 3HG2 VAL 69 7.213 -2.558 -2.648 500 H GLU 70 H GLU 70 7.405 -7.225 0.169 501 HA GLU 70 HA GLU 70 7.256 -8.095 2.268 502 HB2 GLU 70 1HB GLU 70 7.227 -5.202 3.148 503 HB3 GLU 70 2HB GLU 70 7.474 -6.590 4.199 504 HG2 GLU 70 1HG GLU 70 9.568 -7.073 3.248 505 HG3 GLU 70 2HG GLU 70 9.280 -6.003 1.878 506 H GLY 71 H GLY 71 4.904 -7.641 0.700 507 HA2 GLY 71 1HA GLY 71 2.662 -8.120 1.067 508 HA3 GLY 71 2HA GLY 71 2.937 -7.938 2.793 509 H GLU 72 H GLU 72 4.220 -5.246 2.167 510 HA GLU 72 HA GLU 72 1.734 -3.744 2.313 511 HB2 GLU 72 1HB GLU 72 3.622 -3.346 3.910 512 HB3 GLU 72 2HB GLU 72 4.569 -2.732 2.562 513 HG2 GLU 72 1HG GLU 72 3.752 -0.805 3.520 514 HG3 GLU 72 2HG GLU 72 2.599 -1.101 2.221 515 H LEU 73 H LEU 73 1.311 -1.890 1.009 516 HA LEU 73 HA LEU 73 2.314 -2.203 -1.716 517 HB2 LEU 73 1HB LEU 73 -0.128 -1.113 -0.469 518 HB3 LEU 73 2HB LEU 73 0.431 -0.289 -1.923 519 HG LEU 73 HG LEU 73 0.147 -3.251 -2.004 520 HD11 LEU 73 1HD1 LEU 73 -2.113 -3.314 -2.032 521 HD12 LEU 73 2HD1 LEU 73 -2.263 -1.675 -2.666 522 HD13 LEU 73 3HD1 LEU 73 -1.927 -1.930 -0.954 523 HD21 LEU 73 1HD2 LEU 73 -0.781 -1.370 -4.108 524 HD22 LEU 73 2HD2 LEU 73 0.001 -2.944 -4.258 525 HD23 LEU 73 3HD2 LEU 73 0.956 -1.522 -3.837 526 H TYR 74 H TYR 74 2.761 -0.235 -2.992 527 HA TYR 74 HA TYR 74 3.426 2.196 -1.628 528 HB2 TYR 74 1HB TYR 74 5.650 0.390 -2.591 529 HB3 TYR 74 2HB TYR 74 5.867 2.093 -2.206 530 HD1 TYR 74 2HD TYR 74 5.429 2.864 0.159 531 HD2 TYR 74 1HD TYR 74 5.668 -1.251 -0.898 532 HE1 TYR 74 2HE TYR 74 5.807 2.285 2.520 533 HE2 TYR 74 1HE TYR 74 6.046 -1.841 1.460 534 HH TYR 74 HH TYR 74 5.442 0.207 3.986 535 H CYS 75 H CYS 75 4.275 3.839 -3.096 536 HA CYS 75 HA CYS 75 3.084 3.581 -5.711 537 HB2 CYS 75 1HB CYS 75 3.695 5.956 -5.971 538 HB3 CYS 75 2HB CYS 75 2.818 5.666 -4.472 539 H GLU 76 H GLU 76 4.228 4.148 -7.691 540 HA GLU 76 HA GLU 76 6.397 2.579 -8.248 541 HB2 GLU 76 1HB GLU 76 4.864 3.945 -9.828 542 HB3 GLU 76 2HB GLU 76 6.056 5.223 -9.634 543 HG2 GLU 76 1HG GLU 76 7.793 3.590 -10.403 544 HG3 GLU 76 2HG GLU 76 6.477 2.484 -10.795 545 H THR 77 H THR 77 6.380 5.830 -6.937 546 HA THR 77 HA THR 77 9.134 6.380 -7.270 547 HB THR 77 HB THR 77 7.288 7.488 -5.147 548 HG1 THR 77 1HG THR 77 6.361 8.506 -6.743 549 HG21 THR 77 1HG2 THR 77 8.866 9.050 -4.679 550 HG22 THR 77 2HG2 THR 77 9.466 9.097 -6.337 551 HG23 THR 77 3HG2 THR 77 9.958 7.793 -5.257 552 H HIS 78 H HIS 78 7.482 5.838 -4.160 553 HA HIS 78 HA HIS 78 9.784 5.226 -2.716 554 HB2 HIS 78 1HB HIS 78 6.878 4.580 -2.284 555 HB3 HIS 78 2HB HIS 78 8.111 4.028 -1.153 556 HD2 HIS 78 2HD HIS 78 9.864 6.645 -0.688 557 HE1 HIS 78 1HE HIS 78 6.192 8.661 -0.015 558 HE2 HIS 78 2HE HIS 78 8.698 8.771 0.213 559 H ALA 79 H ALA 79 7.323 2.928 -3.903 560 HA ALA 79 HA ALA 79 8.391 0.547 -3.238 561 HB1 ALA 79 1HB ALA 79 6.365 0.515 -4.419 562 HB2 ALA 79 2HB ALA 79 7.057 1.364 -5.802 563 HB3 ALA 79 3HB ALA 79 7.514 -0.308 -5.474 564 H ARG 80 H ARG 80 9.254 2.271 -6.243 565 HA ARG 80 HA ARG 80 11.160 0.578 -7.235 566 HB2 ARG 80 1HB ARG 80 10.733 3.514 -7.371 567 HB3 ARG 80 2HB ARG 80 12.304 2.915 -7.889 568 HG2 ARG 80 1HG ARG 80 11.035 1.308 -9.386 569 HG3 ARG 80 2HG ARG 80 9.602 2.274 -9.026 570 HD2 ARG 80 1HD ARG 80 10.419 4.134 -10.131 571 HD3 ARG 80 2HD ARG 80 12.097 3.615 -9.976 572 HE ARG 80 HE ARG 80 11.115 1.734 -11.591 573 HH11 ARG 80 2HH1 ARG 80 10.786 5.199 -11.656 574 HH12 ARG 80 1HH1 ARG 80 10.634 5.283 -13.380 575 HH21 ARG 80 2HH2 ARG 80 10.917 1.831 -13.861 576 HH22 ARG 80 1HH2 ARG 80 10.708 3.367 -14.633 577 H ALA 81 H ALA 81 11.517 2.938 -4.642 578 HA ALA 81 HA ALA 81 14.345 2.580 -4.374 579 HB1 ALA 81 1HB ALA 81 12.233 3.998 -2.813 580 HB2 ALA 81 2HB ALA 81 13.819 3.727 -2.089 581 HB3 ALA 81 3HB ALA 81 13.681 4.640 -3.591 582 H ARG 82 H ARG 82 11.549 0.930 -3.218 583 HA ARG 82 HA ARG 82 12.851 -0.316 -0.973 584 HB2 ARG 82 1HB ARG 82 10.326 -1.325 -2.250 585 HB3 ARG 82 2HB ARG 82 10.812 -1.395 -0.561 586 HG2 ARG 82 1HG ARG 82 10.551 1.065 -0.432 587 HG3 ARG 82 2HG ARG 82 9.937 1.047 -2.087 588 HD2 ARG 82 1HD ARG 82 7.905 0.593 -1.319 589 HD3 ARG 82 2HD ARG 82 8.510 -0.912 -0.628 590 HE ARG 82 HE ARG 82 7.990 1.568 0.772 591 HH11 ARG 82 2HH1 ARG 82 9.530 -1.553 0.835 592 HH12 ARG 82 1HH1 ARG 82 9.622 -1.618 2.564 593 HH21 ARG 82 2HH2 ARG 82 8.104 1.494 3.048 594 HH22 ARG 82 1HH2 ARG 82 8.809 0.115 3.822 595 H THR 83 H THR 83 11.389 -1.712 -3.915 596 HA THR 83 HA THR 83 12.685 -4.194 -3.687 597 HB THR 83 HB THR 83 10.719 -4.021 -5.059 598 HG1 THR 83 1HG THR 83 12.513 -5.475 -5.708 599 HG21 THR 83 1HG2 THR 83 12.338 -2.036 -6.644 600 HG22 THR 83 2HG2 THR 83 10.774 -1.796 -5.864 601 HG23 THR 83 3HG2 THR 83 10.899 -2.822 -7.293 602 H SER 84 H SER 84 13.605 -1.203 -5.285 603 HA SER 84 HA SER 84 15.518 -0.529 -6.319 604 HB2 SER 84 1HB SER 84 16.300 -1.379 -3.961 605 HB3 SER 84 2HB SER 84 17.047 -2.677 -4.891 606 HG SER 84 HG SER 84 18.526 -1.332 -5.526 607 H GLY 85 H GLY 85 13.941 -2.604 -7.599 608 HA2 GLY 85 1HA GLY 85 16.021 -4.163 -8.982 609 HA3 GLY 85 2HA GLY 85 14.307 -4.551 -8.961 610 HA PRO 86 HA PRO 86 13.629 -2.453 -12.744 611 HB2 PRO 86 1HB PRO 86 11.354 -1.033 -12.319 612 HB3 PRO 86 2HB PRO 86 11.373 -2.794 -12.468 613 HG2 PRO 86 1HG PRO 86 11.287 -1.103 -9.999 614 HG3 PRO 86 2HG PRO 86 10.374 -2.575 -10.379 615 HD2 PRO 86 1HD PRO 86 12.565 -2.589 -8.788 616 HD3 PRO 86 2HD PRO 86 12.135 -3.958 -9.833 617 H SER 87 H SER 87 14.714 -0.812 -10.136 618 HA SER 87 HA SER 87 15.541 1.447 -11.657 619 HB2 SER 87 1HB SER 87 13.100 1.961 -11.009 620 HB3 SER 87 2HB SER 87 13.712 2.147 -9.366 621 HG SER 87 HG SER 87 13.898 3.839 -11.484 622 H SER 88 H SER 88 16.854 2.961 -10.354 623 HA SER 88 HA SER 88 17.686 2.010 -7.736 624 HB2 SER 88 1HB SER 88 19.105 0.694 -9.218 625 HB3 SER 88 2HB SER 88 19.597 2.151 -10.081 626 HG SER 88 HG SER 88 20.440 2.881 -8.002 627 H GLY 89 H GLY 89 18.248 3.651 -6.434 628 HA2 GLY 89 1HA GLY 89 19.708 5.870 -6.827 629 HA3 GLY 89 2HA GLY 89 18.163 6.340 -7.521
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