NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
490768 | 2rqs | 11080 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 23.019 3.316 13.309 2 H2 GLY 1 2HT GLY 1 22.349 1.904 12.664 3 H3 GLY 1 3HT GLY 1 21.440 2.867 13.716 4 HA2 GLY 1 1HA GLY 1 20.549 3.718 11.865 5 HA3 GLY 1 2HA GLY 1 22.033 4.658 11.830 6 HA PRO 2 HA PRO 2 22.569 0.988 8.695 7 HB2 PRO 2 2HB PRO 2 20.267 -0.183 7.854 8 HB3 PRO 2 1HB PRO 2 21.202 -0.783 9.229 9 HG2 PRO 2 2HG PRO 2 18.751 0.937 9.210 10 HG3 PRO 2 1HG PRO 2 19.141 -0.442 10.254 11 HD2 PRO 2 2HD PRO 2 19.422 2.125 11.066 12 HD3 PRO 2 1HD PRO 2 20.488 0.823 11.634 13 H MET 3 H MET 3 22.273 0.989 6.369 14 HA MET 3 HA MET 3 21.659 3.548 5.345 15 HB2 MET 3 2HB MET 3 22.920 1.191 4.415 16 HB3 MET 3 1HB MET 3 21.652 1.575 3.260 17 HG2 MET 3 2HG MET 3 22.711 3.398 2.503 18 HG3 MET 3 1HG MET 3 23.287 3.858 4.103 19 HE1 MET 3 3HE MET 3 25.016 4.729 2.462 20 HE2 MET 3 1HE MET 3 26.436 3.818 1.945 21 HE3 MET 3 2HE MET 3 26.221 4.228 3.647 22 H GLY 4 H GLY 4 19.862 4.375 4.431 23 HA2 GLY 4 2HA GLY 4 17.870 3.435 2.989 24 HA3 GLY 4 1HA GLY 4 17.444 2.731 4.542 25 H SER 5 H SER 5 18.773 5.925 3.732 26 HA SER 5 HA SER 5 16.852 7.197 5.462 27 HB2 SER 5 2HB SER 5 18.522 8.862 3.667 28 HB3 SER 5 1HB SER 5 18.230 9.013 5.400 29 HG SER 5 HG SER 5 20.300 8.353 5.258 30 H MET 6 H MET 6 15.624 9.131 4.695 31 HA MET 6 HA MET 6 14.072 10.124 3.362 32 HB2 MET 6 2HB MET 6 16.176 9.518 1.624 33 HB3 MET 6 1HB MET 6 14.737 8.923 0.806 34 HG2 MET 6 2HG MET 6 14.660 11.030 0.035 35 HG3 MET 6 1HG MET 6 13.839 11.322 1.567 36 HE1 MET 6 3HE MET 6 14.564 14.047 1.251 37 HE2 MET 6 1HE MET 6 15.674 14.325 2.593 38 HE3 MET 6 2HE MET 6 14.295 13.246 2.799 39 H ALA 7 H ALA 7 12.084 9.407 3.675 40 HA ALA 7 HA ALA 7 11.123 7.112 2.175 41 HB1 ALA 7 1HB ALA 7 11.368 7.142 5.148 42 HB2 ALA 7 2HB ALA 7 11.658 5.829 4.007 43 HB3 ALA 7 3HB ALA 7 10.007 6.308 4.401 44 H ASP 8 H ASP 8 10.576 9.856 1.913 45 HA ASP 8 HA ASP 8 8.384 10.872 3.238 46 HB2 ASP 8 2HB ASP 8 9.550 11.253 0.537 47 HB3 ASP 8 1HB ASP 8 7.902 11.825 0.767 48 H LYS 9 H LYS 9 8.479 8.523 0.620 49 HA LYS 9 HA LYS 9 5.626 8.416 0.354 50 HB2 LYS 9 2HB LYS 9 7.884 6.841 -0.828 51 HB3 LYS 9 1HB LYS 9 6.199 6.493 -1.167 52 HG2 LYS 9 2HG LYS 9 6.990 7.785 -2.943 53 HG3 LYS 9 1HG LYS 9 5.991 8.865 -1.973 54 HD2 LYS 9 2HD LYS 9 7.751 10.157 -1.416 55 HD3 LYS 9 1HD LYS 9 8.835 8.779 -1.236 56 HE2 LYS 9 2HE LYS 9 8.252 8.919 -3.962 57 HE3 LYS 9 1HE LYS 9 8.516 10.581 -3.453 58 HZ1 LYS 9 3HZ LYS 9 10.390 8.364 -3.581 59 HZ2 LYS 9 1HZ LYS 9 10.558 9.399 -2.254 60 HZ3 LYS 9 2HZ LYS 9 10.652 10.017 -3.825 61 H ILE 10 H ILE 10 4.623 6.233 0.271 62 HA ILE 10 HA ILE 10 5.420 4.678 2.641 63 HB ILE 10 HB ILE 10 2.694 4.156 1.842 64 HG12 ILE 10 2HG1 ILE 10 3.303 7.005 2.641 65 HG13 ILE 10 1HG1 ILE 10 2.765 6.487 1.047 66 HG21 ILE 10 1HG2 ILE 10 3.274 5.484 4.409 67 HG22 ILE 10 2HG2 ILE 10 4.147 3.983 4.096 68 HG23 ILE 10 3HG2 ILE 10 2.385 3.998 4.069 69 HD11 ILE 10 3HD1 ILE 10 0.632 6.000 1.787 70 HD12 ILE 10 1HD1 ILE 10 1.047 7.449 2.703 71 HD13 ILE 10 2HD1 ILE 10 1.140 5.863 3.470 72 H LYS 11 H LYS 11 5.614 2.547 2.409 73 HA LYS 11 HA LYS 11 5.361 1.517 -0.329 74 HB2 LYS 11 2HB LYS 11 7.092 0.360 1.851 75 HB3 LYS 11 1HB LYS 11 7.181 0.063 0.118 76 HG2 LYS 11 2HG LYS 11 8.443 1.869 -0.258 77 HG3 LYS 11 1HG LYS 11 7.501 2.897 0.837 78 HD2 LYS 11 2HD LYS 11 9.357 2.815 2.112 79 HD3 LYS 11 1HD LYS 11 8.745 1.231 2.594 80 HE2 LYS 11 2HE LYS 11 10.486 0.208 1.665 81 HE3 LYS 11 1HE LYS 11 10.209 1.026 0.128 82 HZ1 LYS 11 3HZ LYS 11 11.805 2.012 2.426 83 HZ2 LYS 11 1HZ LYS 11 11.398 2.971 1.092 84 HZ3 LYS 11 2HZ LYS 11 12.368 1.602 0.885 85 H CYS 12 H CYS 12 3.354 0.711 -0.393 86 HA CYS 12 HA CYS 12 2.758 -1.531 1.405 87 HB2 CYS 12 2HB CYS 12 1.591 0.797 1.852 88 HB3 CYS 12 1HB CYS 12 0.564 0.308 0.511 89 HG CYS 12 HG CYS 12 -0.342 -1.611 1.934 90 H SER 13 H SER 13 0.590 -2.584 0.447 91 HA SER 13 HA SER 13 0.759 -2.710 -2.480 92 HB2 SER 13 2HB SER 13 0.320 -5.270 -2.107 93 HB3 SER 13 1HB SER 13 1.965 -4.645 -2.008 94 HG SER 13 HG SER 13 1.660 -4.539 0.288 95 H HIS 14 H HIS 14 -1.257 -3.754 -3.430 96 HA HIS 14 HA HIS 14 -3.536 -3.553 -1.593 97 HB2 HIS 14 2HB HIS 14 -4.799 -2.160 -3.076 98 HB3 HIS 14 1HB HIS 14 -3.240 -1.392 -2.801 99 HD1 HIS 14 1HD HIS 14 -1.436 -2.454 -4.855 100 HD2 HIS 14 2HD HIS 14 -5.459 -1.796 -5.659 101 HE1 HIS 14 1HE HIS 14 -1.594 -2.234 -7.354 102 HE2 HIS 14 2HE HIS 14 -4.022 -1.736 -7.808 103 H ILE 15 H ILE 15 -5.374 -4.628 -2.067 104 HA ILE 15 HA ILE 15 -5.313 -6.540 -4.304 105 HB ILE 15 HB ILE 15 -5.610 -7.091 -1.387 106 HG12 ILE 15 2HG1 ILE 15 -4.518 -9.232 -2.137 107 HG13 ILE 15 1HG1 ILE 15 -4.431 -8.547 -3.753 108 HG21 ILE 15 1HG2 ILE 15 -7.206 -8.492 -3.511 109 HG22 ILE 15 2HG2 ILE 15 -7.763 -7.813 -1.983 110 HG23 ILE 15 3HG2 ILE 15 -6.771 -9.272 -1.992 111 HD11 ILE 15 3HD1 ILE 15 -2.704 -8.170 -1.495 112 HD12 ILE 15 1HD1 ILE 15 -3.338 -6.627 -2.062 113 HD13 ILE 15 2HD1 ILE 15 -2.480 -7.685 -3.178 114 H LEU 16 H LEU 16 -7.447 -7.221 -5.016 115 HA LEU 16 HA LEU 16 -9.668 -5.590 -4.009 116 HB2 LEU 16 2HB LEU 16 -8.380 -5.360 -6.583 117 HB3 LEU 16 1HB LEU 16 -10.071 -5.779 -6.771 118 HG LEU 16 HG LEU 16 -9.061 -3.424 -5.185 119 HD11 LEU 16 1HD1 LEU 16 -10.592 -3.061 -7.683 120 HD12 LEU 16 2HD1 LEU 16 -8.919 -3.592 -7.852 121 HD13 LEU 16 3HD1 LEU 16 -9.286 -2.094 -6.999 122 HD21 LEU 16 3HD2 LEU 16 -11.859 -3.777 -6.148 123 HD22 LEU 16 1HD2 LEU 16 -11.246 -2.856 -4.775 124 HD23 LEU 16 2HD2 LEU 16 -11.335 -4.614 -4.686 125 H VAL 17 H VAL 17 -11.580 -6.597 -3.885 126 HA VAL 17 HA VAL 17 -12.119 -8.982 -5.454 127 HB VAL 17 HB VAL 17 -12.724 -10.355 -3.558 128 HG11 VAL 17 1HG1 VAL 17 -10.291 -10.131 -4.447 129 HG12 VAL 17 2HG1 VAL 17 -10.599 -11.046 -2.972 130 HG13 VAL 17 3HG1 VAL 17 -9.977 -9.400 -2.873 131 HG21 VAL 17 3HG2 VAL 17 -13.372 -9.205 -1.741 132 HG22 VAL 17 1HG2 VAL 17 -12.297 -7.850 -2.087 133 HG23 VAL 17 2HG2 VAL 17 -11.671 -9.297 -1.297 134 H LYS 18 H LYS 18 -14.248 -9.128 -5.980 135 HA LYS 18 HA LYS 18 -15.969 -6.971 -5.277 136 HB2 LYS 18 2HB LYS 18 -16.685 -9.583 -6.629 137 HB3 LYS 18 1HB LYS 18 -17.649 -8.114 -6.627 138 HG2 LYS 18 2HG LYS 18 -14.898 -7.863 -7.659 139 HG3 LYS 18 1HG LYS 18 -16.021 -8.815 -8.631 140 HD2 LYS 18 2HD LYS 18 -16.887 -6.935 -9.439 141 HD3 LYS 18 1HD LYS 18 -17.397 -6.484 -7.811 142 HE2 LYS 18 2HE LYS 18 -16.054 -4.712 -8.128 143 HE3 LYS 18 1HE LYS 18 -14.762 -5.842 -7.731 144 HZ1 LYS 18 3HZ LYS 18 -14.810 -4.389 -9.954 145 HZ2 LYS 18 1HZ LYS 18 -15.587 -5.784 -10.515 146 HZ3 LYS 18 2HZ LYS 18 -14.038 -5.889 -9.847 147 H LYS 19 H LYS 19 -15.615 -10.297 -4.220 148 HA LYS 19 HA LYS 19 -17.975 -10.313 -2.613 149 HB2 LYS 19 2HB LYS 19 -16.860 -12.348 -1.562 150 HB3 LYS 19 1HB LYS 19 -17.212 -12.442 -3.280 151 HG2 LYS 19 2HG LYS 19 -14.932 -12.075 -3.849 152 HG3 LYS 19 1HG LYS 19 -14.527 -11.703 -2.175 153 HD2 LYS 19 2HD LYS 19 -15.129 -14.004 -1.537 154 HD3 LYS 19 1HD LYS 19 -15.481 -14.363 -3.227 155 HE2 LYS 19 2HE LYS 19 -13.089 -13.659 -3.715 156 HE3 LYS 19 1HE LYS 19 -12.826 -13.716 -1.972 157 HZ1 LYS 19 3HZ LYS 19 -13.945 -16.086 -2.359 158 HZ2 LYS 19 1HZ LYS 19 -12.275 -15.833 -2.444 159 HZ3 LYS 19 2HZ LYS 19 -13.195 -15.893 -3.862 160 H GLN 20 H GLN 20 -17.692 -8.290 -1.605 161 HA GLN 20 HA GLN 20 -15.644 -7.314 -0.147 162 HB2 GLN 20 2HB GLN 20 -17.425 -6.230 1.312 163 HB3 GLN 20 1HB GLN 20 -17.545 -5.952 -0.419 164 HG2 GLN 20 2HG GLN 20 -19.214 -7.816 -0.508 165 HG3 GLN 20 1HG GLN 20 -19.187 -7.832 1.254 166 HE21 GLN 20 1HE2 GLN 20 -20.633 -6.540 -1.461 167 HE22 GLN 20 2HE2 GLN 20 -21.476 -5.229 -0.716 168 H GLY 21 H GLY 21 -17.649 -10.016 0.781 169 HA2 GLY 21 2HA GLY 21 -17.043 -9.924 3.555 170 HA3 GLY 21 1HA GLY 21 -17.619 -11.335 2.677 171 H GLU 22 H GLU 22 -15.388 -11.259 0.776 172 HA GLU 22 HA GLU 22 -13.553 -12.853 2.254 173 HB2 GLU 22 2HB GLU 22 -12.591 -13.345 0.237 174 HB3 GLU 22 1HB GLU 22 -14.172 -12.842 -0.316 175 HG2 GLU 22 2HG GLU 22 -12.819 -11.737 -1.765 176 HG3 GLU 22 1HG GLU 22 -12.991 -10.530 -0.494 177 H ALA 23 H ALA 23 -13.475 -9.592 0.936 178 HA ALA 23 HA ALA 23 -10.874 -8.844 1.371 179 HB1 ALA 23 1HB ALA 23 -13.160 -7.014 2.050 180 HB2 ALA 23 2HB ALA 23 -12.771 -7.459 0.386 181 HB3 ALA 23 3HB ALA 23 -11.585 -6.602 1.372 182 H LEU 24 H LEU 24 -13.495 -9.117 3.719 183 HA LEU 24 HA LEU 24 -11.993 -8.054 5.914 184 HB2 LEU 24 2HB LEU 24 -14.626 -8.478 5.490 185 HB3 LEU 24 1HB LEU 24 -14.249 -9.894 6.452 186 HG LEU 24 HG LEU 24 -15.098 -7.989 7.790 187 HD11 LEU 24 1HD1 LEU 24 -12.378 -8.159 8.820 188 HD12 LEU 24 2HD1 LEU 24 -13.055 -9.725 8.373 189 HD13 LEU 24 3HD1 LEU 24 -13.899 -8.698 9.533 190 HD21 LEU 24 3HD2 LEU 24 -12.548 -6.542 7.641 191 HD22 LEU 24 1HD2 LEU 24 -14.198 -5.931 7.765 192 HD23 LEU 24 2HD2 LEU 24 -13.557 -6.427 6.198 193 H ALA 25 H ALA 25 -12.507 -11.211 4.523 194 HA ALA 25 HA ALA 25 -11.400 -12.674 6.729 195 HB1 ALA 25 1HB ALA 25 -12.277 -13.357 3.955 196 HB2 ALA 25 2HB ALA 25 -12.870 -13.964 5.502 197 HB3 ALA 25 3HB ALA 25 -11.313 -14.510 4.878 198 H VAL 26 H VAL 26 -10.230 -11.918 3.433 199 HA VAL 26 HA VAL 26 -7.737 -13.073 3.599 200 HB VAL 26 HB VAL 26 -6.958 -11.542 1.907 201 HG11 VAL 26 1HG1 VAL 26 -9.867 -12.215 1.495 202 HG12 VAL 26 2HG1 VAL 26 -8.501 -13.292 1.211 203 HG13 VAL 26 3HG1 VAL 26 -8.702 -11.845 0.223 204 HG21 VAL 26 3HG2 VAL 26 -8.417 -9.640 1.181 205 HG22 VAL 26 1HG2 VAL 26 -7.660 -9.432 2.762 206 HG23 VAL 26 2HG2 VAL 26 -9.362 -9.887 2.650 207 H GLN 27 H GLN 27 -8.674 -9.799 4.652 208 HA GLN 27 HA GLN 27 -6.163 -8.926 5.460 209 HB2 GLN 27 2HB GLN 27 -7.287 -7.311 6.835 210 HB3 GLN 27 1HB GLN 27 -8.241 -7.537 5.378 211 HG2 GLN 27 2HG GLN 27 -9.995 -8.387 6.488 212 HG3 GLN 27 1HG GLN 27 -8.995 -9.211 7.678 213 HE21 GLN 27 1HE2 GLN 27 -9.374 -5.825 6.694 214 HE22 GLN 27 2HE2 GLN 27 -9.686 -5.221 8.282 215 H GLU 28 H GLU 28 -8.474 -11.001 7.034 216 HA GLU 28 HA GLU 28 -7.135 -11.161 9.547 217 HB2 GLU 28 2HB GLU 28 -9.508 -12.297 8.279 218 HB3 GLU 28 1HB GLU 28 -8.689 -13.441 9.329 219 HG2 GLU 28 2HG GLU 28 -8.825 -10.969 10.687 220 HG3 GLU 28 1HG GLU 28 -10.419 -11.309 10.023 221 H ARG 29 H ARG 29 -7.328 -13.290 6.721 222 HA ARG 29 HA ARG 29 -5.528 -15.230 7.827 223 HB2 ARG 29 2HB ARG 29 -6.772 -16.423 6.400 224 HB3 ARG 29 1HB ARG 29 -7.288 -14.990 5.531 225 HG2 ARG 29 2HG ARG 29 -5.533 -15.127 4.012 226 HG3 ARG 29 1HG ARG 29 -4.578 -16.178 5.061 227 HD2 ARG 29 2HD ARG 29 -5.361 -17.886 3.867 228 HD3 ARG 29 1HD ARG 29 -6.918 -17.596 4.644 229 HE ARG 29 HE ARG 29 -6.472 -15.978 2.309 230 HH11 ARG 29 1HH1 ARG 29 -7.614 -19.061 3.477 231 HH12 ARG 29 2HH1 ARG 29 -8.620 -19.353 2.098 232 HH21 ARG 29 1HH2 ARG 29 -7.796 -16.359 0.494 233 HH22 ARG 29 2HH2 ARG 29 -8.723 -17.818 0.404 234 H LEU 30 H LEU 30 -5.165 -12.380 5.914 235 HA LEU 30 HA LEU 30 -2.882 -12.887 4.459 236 HB2 LEU 30 2HB LEU 30 -4.373 -10.802 4.543 237 HB3 LEU 30 1HB LEU 30 -3.354 -10.273 5.863 238 HG LEU 30 HG LEU 30 -2.652 -9.241 3.797 239 HD11 LEU 30 1HD1 LEU 30 -0.410 -9.507 4.112 240 HD12 LEU 30 2HD1 LEU 30 -0.518 -11.265 4.212 241 HD13 LEU 30 3HD1 LEU 30 -1.007 -10.271 5.586 242 HD21 LEU 30 3HD2 LEU 30 -3.099 -11.892 2.738 243 HD22 LEU 30 1HD2 LEU 30 -1.506 -11.282 2.292 244 HD23 LEU 30 2HD2 LEU 30 -2.950 -10.352 1.893 245 H LYS 31 H LYS 31 -3.100 -11.739 7.815 246 HA LYS 31 HA LYS 31 -0.276 -11.675 8.208 247 HB2 LYS 31 2HB LYS 31 -0.899 -11.491 10.633 248 HB3 LYS 31 1HB LYS 31 -1.624 -10.278 9.590 249 HG2 LYS 31 2HG LYS 31 -3.293 -12.629 9.861 250 HG3 LYS 31 1HG LYS 31 -2.941 -11.869 11.414 251 HD2 LYS 31 2HD LYS 31 -3.527 -9.780 9.618 252 HD3 LYS 31 1HD LYS 31 -4.740 -11.031 9.343 253 HE2 LYS 31 2HE LYS 31 -5.553 -10.902 11.506 254 HE3 LYS 31 1HE LYS 31 -4.061 -10.203 12.133 255 HZ1 LYS 31 3HZ LYS 31 -6.283 -8.894 10.733 256 HZ2 LYS 31 1HZ LYS 31 -4.728 -8.248 10.564 257 HZ3 LYS 31 2HZ LYS 31 -5.424 -8.387 12.099 258 H ALA 32 H ALA 32 -2.439 -14.234 7.967 259 HA ALA 32 HA ALA 32 -1.626 -16.010 9.939 260 HB1 ALA 32 1HB ALA 32 -3.556 -16.311 8.388 261 HB2 ALA 32 2HB ALA 32 -2.553 -17.750 8.577 262 HB3 ALA 32 3HB ALA 32 -2.408 -16.756 7.125 263 H GLY 33 H GLY 33 0.028 -14.936 7.112 264 HA2 GLY 33 2HA GLY 33 2.526 -15.447 7.504 265 HA3 GLY 33 1HA GLY 33 1.967 -17.099 7.314 266 H GLU 34 H GLU 34 -0.070 -15.734 5.334 267 HA GLU 34 HA GLU 34 1.452 -16.388 2.996 268 HB2 GLU 34 2HB GLU 34 -0.615 -15.647 1.780 269 HB3 GLU 34 1HB GLU 34 -0.877 -16.919 2.966 270 HG2 GLU 34 2HG GLU 34 -1.841 -15.392 4.510 271 HG3 GLU 34 1HG GLU 34 -1.364 -14.007 3.529 272 H LYS 35 H LYS 35 1.901 -14.977 1.227 273 HA LYS 35 HA LYS 35 2.716 -12.342 2.121 274 HB2 LYS 35 2HB LYS 35 3.907 -14.160 0.486 275 HB3 LYS 35 1HB LYS 35 3.167 -13.089 -0.696 276 HG2 LYS 35 2HG LYS 35 4.347 -11.202 0.170 277 HG3 LYS 35 1HG LYS 35 4.949 -12.143 1.536 278 HD2 LYS 35 2HD LYS 35 5.924 -13.666 -0.384 279 HD3 LYS 35 1HD LYS 35 5.791 -12.179 -1.323 280 HE2 LYS 35 2HE LYS 35 7.137 -12.253 1.361 281 HE3 LYS 35 1HE LYS 35 8.004 -12.628 -0.128 282 HZ1 LYS 35 3HZ LYS 35 8.305 -10.328 0.410 283 HZ2 LYS 35 1HZ LYS 35 6.635 -10.076 0.527 284 HZ3 LYS 35 2HZ LYS 35 7.335 -10.427 -0.972 285 H PHE 36 H PHE 36 1.768 -10.479 1.605 286 HA PHE 36 HA PHE 36 -0.813 -10.262 0.697 287 HB2 PHE 36 2HB PHE 36 0.871 -8.504 1.730 288 HB3 PHE 36 1HB PHE 36 1.099 -8.063 0.040 289 HD1 PHE 36 1HD PHE 36 -1.525 -8.550 2.603 290 HD2 PHE 36 2HD PHE 36 -0.378 -6.613 -0.990 291 HE1 PHE 36 1HE PHE 36 -3.558 -7.168 2.718 292 HE2 PHE 36 2HE PHE 36 -2.401 -5.214 -0.889 293 HZ PHE 36 HZ PHE 36 -3.996 -5.492 0.967 294 H GLY 37 H GLY 37 2.158 -9.822 -1.207 295 HA2 GLY 37 2HA GLY 37 1.002 -9.202 -3.654 296 HA3 GLY 37 1HA GLY 37 2.544 -10.021 -3.456 297 H LYS 38 H LYS 38 1.427 -12.328 -2.109 298 HA LYS 38 HA LYS 38 0.933 -13.998 -4.290 299 HB2 LYS 38 2HB LYS 38 1.699 -14.685 -1.983 300 HB3 LYS 38 1HB LYS 38 0.031 -14.512 -1.453 301 HG2 LYS 38 2HG LYS 38 -0.051 -16.707 -1.920 302 HG3 LYS 38 1HG LYS 38 -0.325 -16.131 -3.565 303 HD2 LYS 38 2HD LYS 38 1.368 -17.723 -3.802 304 HD3 LYS 38 1HD LYS 38 2.231 -16.183 -3.797 305 HE2 LYS 38 2HE LYS 38 2.498 -16.557 -1.278 306 HE3 LYS 38 1HE LYS 38 2.011 -18.220 -1.601 307 HZ1 LYS 38 3HZ LYS 38 4.215 -18.484 -1.874 308 HZ2 LYS 38 1HZ LYS 38 4.493 -16.857 -2.246 309 HZ3 LYS 38 2HZ LYS 38 3.905 -17.908 -3.434 310 H LEU 39 H LEU 39 -1.355 -12.751 -1.870 311 HA LEU 39 HA LEU 39 -3.701 -13.797 -2.902 312 HB2 LEU 39 2HB LEU 39 -3.259 -11.153 -1.522 313 HB3 LEU 39 1HB LEU 39 -4.831 -11.838 -1.838 314 HG LEU 39 HG LEU 39 -4.348 -12.276 0.441 315 HD11 LEU 39 1HD1 LEU 39 -5.419 -14.131 -0.567 316 HD12 LEU 39 2HD1 LEU 39 -4.171 -14.769 0.500 317 HD13 LEU 39 3HD1 LEU 39 -3.903 -14.728 -1.242 318 HD21 LEU 39 3HD2 LEU 39 -1.823 -11.975 0.075 319 HD22 LEU 39 1HD2 LEU 39 -1.809 -13.710 -0.240 320 HD23 LEU 39 2HD2 LEU 39 -2.362 -13.104 1.320 321 H ALA 40 H ALA 40 -1.786 -11.085 -3.969 322 HA ALA 40 HA ALA 40 -3.563 -9.637 -5.496 323 HB1 ALA 40 1HB ALA 40 -0.965 -9.420 -5.051 324 HB2 ALA 40 2HB ALA 40 -1.746 -8.629 -6.420 325 HB3 ALA 40 3HB ALA 40 -0.882 -10.148 -6.655 326 H LYS 41 H LYS 41 -1.575 -12.376 -6.569 327 HA LYS 41 HA LYS 41 -3.068 -12.586 -9.043 328 HB2 LYS 41 2HB LYS 41 -1.509 -14.448 -9.537 329 HB3 LYS 41 1HB LYS 41 -0.680 -12.946 -9.150 330 HG2 LYS 41 2HG LYS 41 0.323 -13.825 -7.359 331 HG3 LYS 41 1HG LYS 41 -1.142 -14.654 -6.829 332 HD2 LYS 41 2HD LYS 41 0.387 -15.652 -9.201 333 HD3 LYS 41 1HD LYS 41 0.920 -16.051 -7.567 334 HE2 LYS 41 2HE LYS 41 -1.098 -17.178 -7.081 335 HE3 LYS 41 1HE LYS 41 -1.899 -16.514 -8.505 336 HZ1 LYS 41 3HZ LYS 41 -1.369 -18.696 -9.077 337 HZ2 LYS 41 1HZ LYS 41 0.170 -18.622 -8.376 338 HZ3 LYS 41 2HZ LYS 41 -0.148 -17.786 -9.813 339 H GLU 42 H GLU 42 -3.042 -13.998 -5.894 340 HA GLU 42 HA GLU 42 -4.226 -16.480 -6.550 341 HB2 GLU 42 2HB GLU 42 -3.277 -15.138 -4.225 342 HB3 GLU 42 1HB GLU 42 -4.867 -15.784 -3.880 343 HG2 GLU 42 2HG GLU 42 -3.551 -17.831 -5.217 344 HG3 GLU 42 1HG GLU 42 -2.342 -17.138 -4.137 345 H LEU 43 H LEU 43 -5.823 -13.822 -4.687 346 HA LEU 43 HA LEU 43 -8.305 -14.650 -6.045 347 HB2 LEU 43 2HB LEU 43 -9.422 -13.647 -3.912 348 HB3 LEU 43 1HB LEU 43 -8.826 -15.291 -3.930 349 HG LEU 43 HG LEU 43 -8.338 -13.989 -1.847 350 HD11 LEU 43 1HD1 LEU 43 -6.737 -15.783 -3.292 351 HD12 LEU 43 2HD1 LEU 43 -6.740 -15.482 -1.555 352 HD13 LEU 43 3HD1 LEU 43 -5.650 -14.577 -2.605 353 HD21 LEU 43 3HD2 LEU 43 -7.048 -12.138 -1.801 354 HD22 LEU 43 1HD2 LEU 43 -7.653 -11.951 -3.446 355 HD23 LEU 43 2HD2 LEU 43 -6.062 -12.655 -3.166 356 H SER 44 H SER 44 -6.190 -12.046 -5.561 357 HA SER 44 HA SER 44 -8.008 -9.893 -5.566 358 HB2 SER 44 2HB SER 44 -5.261 -10.170 -5.508 359 HB3 SER 44 1HB SER 44 -5.549 -9.357 -7.037 360 HG SER 44 HG SER 44 -5.744 -7.631 -5.878 361 H ILE 45 H ILE 45 -9.234 -9.034 -7.090 362 HA ILE 45 HA ILE 45 -9.115 -10.148 -9.781 363 HB ILE 45 HB ILE 45 -11.249 -8.805 -10.102 364 HG12 ILE 45 2HG1 ILE 45 -11.823 -8.713 -7.259 365 HG13 ILE 45 1HG1 ILE 45 -10.459 -7.680 -7.665 366 HG21 ILE 45 1HG2 ILE 45 -11.035 -11.020 -8.081 367 HG22 ILE 45 2HG2 ILE 45 -11.445 -11.132 -9.794 368 HG23 ILE 45 3HG2 ILE 45 -12.585 -10.406 -8.661 369 HD11 ILE 45 3HD1 ILE 45 -11.778 -6.160 -8.580 370 HD12 ILE 45 1HD1 ILE 45 -13.126 -7.041 -7.861 371 HD13 ILE 45 2HD1 ILE 45 -12.647 -7.369 -9.528 372 H ASP 46 H ASP 46 -7.835 -7.553 -8.165 373 HA ASP 46 HA ASP 46 -8.162 -5.313 -9.682 374 HB2 ASP 46 2HB ASP 46 -6.732 -5.605 -7.603 375 HB3 ASP 46 1HB ASP 46 -5.459 -6.187 -8.666 376 H GLY 47 H GLY 47 -7.534 -4.562 -11.623 377 HA2 GLY 47 2HA GLY 47 -6.836 -6.362 -13.661 378 HA3 GLY 47 1HA GLY 47 -6.801 -4.611 -13.795 379 H GLY 48 H GLY 48 -4.969 -5.594 -15.227 380 HA2 GLY 48 2HA GLY 48 -2.681 -6.618 -14.991 381 HA3 GLY 48 1HA GLY 48 -2.670 -4.925 -15.430 382 H SER 49 H SER 49 -3.207 -3.744 -12.933 383 HA SER 49 HA SER 49 -0.694 -3.558 -11.816 384 HB2 SER 49 2HB SER 49 -2.106 -2.821 -9.692 385 HB3 SER 49 1HB SER 49 -2.051 -1.825 -11.146 386 HG SER 49 HG SER 49 -4.185 -2.679 -10.017 387 H ALA 50 H ALA 50 -3.120 -5.984 -11.245 388 HA ALA 50 HA ALA 50 -2.077 -6.942 -8.768 389 HB1 ALA 50 1HB ALA 50 -3.698 -8.575 -8.852 390 HB2 ALA 50 2HB ALA 50 -3.637 -8.696 -10.612 391 HB3 ALA 50 3HB ALA 50 -4.420 -7.312 -9.849 392 H LYS 51 H LYS 51 -1.208 -7.365 -12.072 393 HA LYS 51 HA LYS 51 0.065 -9.883 -11.868 394 HB2 LYS 51 2HB LYS 51 -0.298 -7.836 -13.864 395 HB3 LYS 51 1HB LYS 51 1.357 -8.417 -13.886 396 HG2 LYS 51 2HG LYS 51 0.776 -10.413 -14.726 397 HG3 LYS 51 1HG LYS 51 -0.671 -10.523 -13.721 398 HD2 LYS 51 2HD LYS 51 -1.228 -10.404 -16.108 399 HD3 LYS 51 1HD LYS 51 -1.847 -9.008 -15.222 400 HE2 LYS 51 2HE LYS 51 -0.070 -7.624 -16.035 401 HE3 LYS 51 1HE LYS 51 0.748 -9.012 -16.752 402 HZ1 LYS 51 3HZ LYS 51 -0.612 -9.006 -18.529 403 HZ2 LYS 51 1HZ LYS 51 -0.845 -7.381 -18.115 404 HZ3 LYS 51 2HZ LYS 51 -1.977 -8.546 -17.642 405 H ARG 52 H ARG 52 0.922 -6.837 -10.656 406 HA ARG 52 HA ARG 52 3.756 -7.586 -10.485 407 HB2 ARG 52 2HB ARG 52 3.875 -5.119 -9.563 408 HB3 ARG 52 1HB ARG 52 3.839 -5.441 -11.288 409 HG2 ARG 52 2HG ARG 52 1.340 -5.091 -11.172 410 HG3 ARG 52 1HG ARG 52 1.599 -4.479 -9.537 411 HD2 ARG 52 2HD ARG 52 1.577 -2.583 -10.941 412 HD3 ARG 52 1HD ARG 52 3.271 -2.873 -10.552 413 HE ARG 52 HE ARG 52 2.400 -4.106 -13.004 414 HH11 ARG 52 1HH1 ARG 52 3.697 -1.210 -11.548 415 HH12 ARG 52 2HH1 ARG 52 4.401 -0.635 -13.022 416 HH21 ARG 52 1HH2 ARG 52 3.326 -3.349 -14.942 417 HH22 ARG 52 2HH2 ARG 52 4.192 -1.849 -14.949 418 H ASP 53 H ASP 53 1.496 -8.648 -8.883 419 HA ASP 53 HA ASP 53 1.037 -9.277 -6.769 420 HB2 ASP 53 2HB ASP 53 2.821 -9.714 -5.343 421 HB3 ASP 53 1HB ASP 53 3.594 -9.681 -6.920 422 H GLY 54 H GLY 54 0.540 -6.491 -7.676 423 HA2 GLY 54 2HA GLY 54 -0.368 -4.574 -6.807 424 HA3 GLY 54 1HA GLY 54 -0.636 -5.504 -5.340 425 H SER 55 H SER 55 2.613 -5.229 -6.435 426 HA SER 55 HA SER 55 3.483 -4.006 -4.053 427 HB2 SER 55 2HB SER 55 4.761 -4.655 -6.680 428 HB3 SER 55 1HB SER 55 5.612 -3.596 -5.557 429 HG SER 55 HG SER 55 5.924 -6.009 -5.430 430 H LEU 56 H LEU 56 2.171 -2.148 -3.857 431 HA LEU 56 HA LEU 56 2.077 -0.067 -5.747 432 HB2 LEU 56 2HB LEU 56 1.561 -0.186 -2.791 433 HB3 LEU 56 1HB LEU 56 1.418 1.310 -3.672 434 HG LEU 56 HG LEU 56 -0.238 -1.181 -3.965 435 HD11 LEU 56 1HD1 LEU 56 -0.949 1.688 -3.388 436 HD12 LEU 56 2HD1 LEU 56 -0.883 0.377 -2.209 437 HD13 LEU 56 3HD1 LEU 56 -2.081 0.339 -3.503 438 HD21 LEU 56 3HD2 LEU 56 0.381 0.851 -5.975 439 HD22 LEU 56 1HD2 LEU 56 -1.344 0.614 -5.701 440 HD23 LEU 56 2HD2 LEU 56 -0.328 -0.754 -6.160 441 H GLY 57 H GLY 57 4.467 -0.972 -3.422 442 HA2 GLY 57 2HA GLY 57 6.515 -0.089 -2.891 443 HA3 GLY 57 1HA GLY 57 6.456 0.665 -4.475 444 H TYR 58 H TYR 58 7.647 2.410 -3.446 445 HA TYR 58 HA TYR 58 6.539 3.937 -1.335 446 HB2 TYR 58 2HB TYR 58 8.243 5.467 -3.162 447 HB3 TYR 58 1HB TYR 58 8.417 5.186 -1.442 448 HD1 TYR 58 1HD TYR 58 9.281 3.968 -4.789 449 HD2 TYR 58 2HD TYR 58 9.753 3.338 -0.609 450 HE1 TYR 58 1HE TYR 58 11.147 2.432 -5.237 451 HE2 TYR 58 2HE TYR 58 11.622 1.801 -1.045 452 HH TYR 58 HH TYR 58 12.494 0.419 -2.813 453 H PHE 59 H PHE 59 4.701 4.991 -1.428 454 HA PHE 59 HA PHE 59 4.116 6.578 -3.838 455 HB2 PHE 59 2HB PHE 59 2.262 5.032 -2.056 456 HB3 PHE 59 1HB PHE 59 1.684 6.421 -2.952 457 HD1 PHE 59 1HD PHE 59 4.057 5.225 -5.079 458 HD2 PHE 59 2HD PHE 59 0.274 4.091 -3.483 459 HE1 PHE 59 1HE PHE 59 3.656 3.806 -7.043 460 HE2 PHE 59 2HE PHE 59 -0.129 2.670 -5.448 461 HZ PHE 59 HZ PHE 59 1.563 2.524 -7.231 462 H GLY 60 H GLY 60 3.008 8.592 -3.421 463 HA2 GLY 60 2HA GLY 60 3.597 9.608 -0.710 464 HA3 GLY 60 1HA GLY 60 3.835 10.565 -2.159 465 H ARG 61 H ARG 61 2.425 11.984 -0.659 466 HA ARG 61 HA ARG 61 -0.350 11.340 -0.480 467 HB2 ARG 61 2HB ARG 61 1.038 13.998 -0.089 468 HB3 ARG 61 1HB ARG 61 -0.605 13.610 0.398 469 HG2 ARG 61 2HG ARG 61 0.254 13.105 2.384 470 HG3 ARG 61 1HG ARG 61 0.888 11.646 1.617 471 HD2 ARG 61 2HD ARG 61 2.999 12.637 1.252 472 HD3 ARG 61 1HD ARG 61 2.387 14.252 1.606 473 HE ARG 61 HE ARG 61 3.278 12.284 3.496 474 HH11 ARG 61 1HH1 ARG 61 1.232 15.073 3.036 475 HH12 ARG 61 2HH1 ARG 61 1.239 15.511 4.711 476 HH21 ARG 61 1HH2 ARG 61 3.291 12.858 5.699 477 HH22 ARG 61 2HH2 ARG 61 2.410 14.254 6.223 478 H GLY 62 H GLY 62 -0.728 10.867 -2.723 479 HA2 GLY 62 2HA GLY 62 -2.224 12.476 -4.148 480 HA3 GLY 62 1HA GLY 62 -0.659 13.155 -4.537 481 H LYS 63 H LYS 63 -1.392 9.725 -4.066 482 HA LYS 63 HA LYS 63 -0.950 9.303 -6.943 483 HB2 LYS 63 2HB LYS 63 0.786 8.542 -4.844 484 HB3 LYS 63 1HB LYS 63 0.040 7.068 -5.441 485 HG2 LYS 63 2HG LYS 63 1.358 9.089 -7.233 486 HG3 LYS 63 1HG LYS 63 2.205 7.709 -6.529 487 HD2 LYS 63 2HD LYS 63 0.153 6.392 -7.569 488 HD3 LYS 63 1HD LYS 63 0.119 7.789 -8.648 489 HE2 LYS 63 2HE LYS 63 2.773 7.189 -8.617 490 HE3 LYS 63 1HE LYS 63 2.053 5.587 -8.459 491 HZ1 LYS 63 3HZ LYS 63 1.989 5.732 -10.689 492 HZ2 LYS 63 1HZ LYS 63 2.013 7.425 -10.708 493 HZ3 LYS 63 2HZ LYS 63 0.565 6.601 -10.412 494 H MET 64 H MET 64 -2.216 7.931 -3.925 495 HA MET 64 HA MET 64 -3.937 6.149 -5.501 496 HB2 MET 64 2HB MET 64 -3.704 6.021 -2.516 497 HB3 MET 64 1HB MET 64 -4.092 4.738 -3.653 498 HG2 MET 64 2HG MET 64 -1.978 4.123 -3.151 499 HG3 MET 64 1HG MET 64 -1.621 5.233 -4.472 500 HE1 MET 64 3HE MET 64 -0.551 4.105 -1.211 501 HE2 MET 64 1HE MET 64 -1.921 4.966 -0.509 502 HE3 MET 64 2HE MET 64 -0.275 5.509 -0.183 503 H VAL 65 H VAL 65 -6.160 5.774 -4.552 504 HA VAL 65 HA VAL 65 -7.648 8.131 -4.620 505 HB VAL 65 HB VAL 65 -9.553 6.784 -3.809 506 HG11 VAL 65 1HG1 VAL 65 -7.805 5.949 -6.038 507 HG12 VAL 65 2HG1 VAL 65 -9.487 6.477 -6.049 508 HG13 VAL 65 3HG1 VAL 65 -9.084 4.823 -5.580 509 HG21 VAL 65 3HG2 VAL 65 -7.975 4.294 -3.751 510 HG22 VAL 65 1HG2 VAL 65 -9.363 4.781 -2.778 511 HG23 VAL 65 2HG2 VAL 65 -7.756 5.383 -2.386 512 H LYS 66 H LYS 66 -9.024 9.042 -2.910 513 HA LYS 66 HA LYS 66 -7.551 9.944 -0.742 514 HB2 LYS 66 2HB LYS 66 -9.702 10.884 -1.808 515 HB3 LYS 66 1HB LYS 66 -10.551 9.833 -0.684 516 HG2 LYS 66 2HG LYS 66 -10.132 11.160 1.068 517 HG3 LYS 66 1HG LYS 66 -8.474 11.481 0.554 518 HD2 LYS 66 2HD LYS 66 -10.820 12.707 -0.862 519 HD3 LYS 66 1HD LYS 66 -10.131 13.443 0.586 520 HE2 LYS 66 2HE LYS 66 -8.882 14.523 -0.975 521 HE3 LYS 66 1HE LYS 66 -7.879 13.086 -0.780 522 HZ1 LYS 66 3HZ LYS 66 -8.719 13.960 -3.134 523 HZ2 LYS 66 1HZ LYS 66 -10.001 12.918 -2.763 524 HZ3 LYS 66 2HZ LYS 66 -8.417 12.327 -2.818 525 HA PRO 67 HA PRO 67 -9.971 6.853 2.107 526 HB2 PRO 67 2HB PRO 67 -10.813 4.566 0.851 527 HB3 PRO 67 1HB PRO 67 -11.851 5.935 1.197 528 HG2 PRO 67 2HG PRO 67 -10.560 5.116 -1.345 529 HG3 PRO 67 1HG PRO 67 -12.119 5.910 -1.084 530 HD2 PRO 67 2HD PRO 67 -9.881 7.199 -1.962 531 HD3 PRO 67 1HD PRO 67 -11.184 7.995 -1.069 532 H PHE 68 H PHE 68 -8.248 5.532 -0.651 533 HA PHE 68 HA PHE 68 -6.973 3.432 0.822 534 HB2 PHE 68 2HB PHE 68 -7.402 3.359 -1.648 535 HB3 PHE 68 1HB PHE 68 -6.167 4.597 -1.851 536 HD1 PHE 68 1HD PHE 68 -3.820 4.045 -0.940 537 HD2 PHE 68 2HD PHE 68 -6.818 1.126 -1.711 538 HE1 PHE 68 1HE PHE 68 -2.085 2.306 -1.078 539 HE2 PHE 68 2HE PHE 68 -5.089 -0.619 -1.851 540 HZ PHE 68 HZ PHE 68 -2.720 -0.029 -1.533 541 H GLU 69 H GLU 69 -5.864 6.525 -0.544 542 HA GLU 69 HA GLU 69 -3.232 6.447 0.320 543 HB2 GLU 69 2HB GLU 69 -4.524 8.149 -1.179 544 HB3 GLU 69 1HB GLU 69 -4.798 9.001 0.334 545 HG2 GLU 69 2HG GLU 69 -2.056 8.364 0.244 546 HG3 GLU 69 1HG GLU 69 -2.492 8.990 -1.346 547 H ASP 70 H ASP 70 -6.160 7.233 2.055 548 HA ASP 70 HA ASP 70 -4.972 8.428 4.323 549 HB2 ASP 70 2HB ASP 70 -7.628 7.324 3.624 550 HB3 ASP 70 1HB ASP 70 -7.246 7.378 5.342 551 H ALA 71 H ALA 71 -6.163 5.121 3.783 552 HA ALA 71 HA ALA 71 -5.116 4.156 6.264 553 HB1 ALA 71 1HB ALA 71 -5.623 1.892 4.958 554 HB2 ALA 71 2HB ALA 71 -6.569 2.999 3.960 555 HB3 ALA 71 3HB ALA 71 -6.894 2.873 5.689 556 H ALA 72 H ALA 72 -3.655 4.875 3.330 557 HA ALA 72 HA ALA 72 -1.800 2.742 3.120 558 HB1 ALA 72 1HB ALA 72 -0.780 3.972 1.425 559 HB2 ALA 72 2HB ALA 72 -1.267 5.517 2.123 560 HB3 ALA 72 3HB ALA 72 -2.468 4.478 1.355 561 H PHE 73 H PHE 73 -1.737 5.840 4.806 562 HA PHE 73 HA PHE 73 0.946 5.193 5.820 563 HB2 PHE 73 2HB PHE 73 0.924 7.635 6.548 564 HB3 PHE 73 1HB PHE 73 0.993 7.331 4.818 565 HD1 PHE 73 1HD PHE 73 -1.566 7.827 7.488 566 HD2 PHE 73 2HD PHE 73 -0.368 8.592 3.477 567 HE1 PHE 73 1HE PHE 73 -3.554 9.241 7.168 568 HE2 PHE 73 2HE PHE 73 -2.353 10.009 3.150 569 HZ PHE 73 HZ PHE 73 -3.950 10.333 4.996 570 H ARG 74 H ARG 74 -1.867 4.299 6.796 571 HA ARG 74 HA ARG 74 -1.689 5.333 9.531 572 HB2 ARG 74 2HB ARG 74 -3.919 4.738 9.851 573 HB3 ARG 74 1HB ARG 74 -3.885 5.282 8.182 574 HG2 ARG 74 2HG ARG 74 -3.931 3.028 7.378 575 HG3 ARG 74 1HG ARG 74 -3.739 2.392 9.011 576 HD2 ARG 74 2HD ARG 74 -5.958 4.066 9.157 577 HD3 ARG 74 1HD ARG 74 -6.136 3.218 7.622 578 HE ARG 74 HE ARG 74 -6.564 1.293 8.777 579 HH11 ARG 74 1HH1 ARG 74 -5.103 3.597 10.954 580 HH12 ARG 74 2HH1 ARG 74 -5.366 2.623 12.361 581 HH21 ARG 74 1HH2 ARG 74 -6.913 0.012 10.627 582 HH22 ARG 74 2HH2 ARG 74 -6.394 0.588 12.176 583 H LEU 75 H LEU 75 -1.261 2.453 7.637 584 HA LEU 75 HA LEU 75 -0.838 0.877 10.075 585 HB2 LEU 75 2HB LEU 75 -1.309 0.092 7.214 586 HB3 LEU 75 1HB LEU 75 -0.750 -1.054 8.407 587 HG LEU 75 HG LEU 75 -3.437 0.131 8.038 588 HD11 LEU 75 1HD1 LEU 75 -3.289 -2.084 7.413 589 HD12 LEU 75 2HD1 LEU 75 -3.921 -2.190 9.057 590 HD13 LEU 75 3HD1 LEU 75 -2.211 -2.495 8.748 591 HD21 LEU 75 3HD2 LEU 75 -2.407 -0.647 10.767 592 HD22 LEU 75 1HD2 LEU 75 -4.073 -0.241 10.355 593 HD23 LEU 75 2HD2 LEU 75 -2.815 0.992 10.258 594 H GLN 76 H GLN 76 1.156 2.368 10.130 595 HA GLN 76 HA GLN 76 3.328 1.753 8.390 596 HB2 GLN 76 2HB GLN 76 3.008 3.266 10.950 597 HB3 GLN 76 1HB GLN 76 4.625 2.816 10.428 598 HG2 GLN 76 2HG GLN 76 3.668 3.874 8.146 599 HG3 GLN 76 1HG GLN 76 2.766 4.816 9.332 600 HE21 GLN 76 1HE2 GLN 76 3.773 6.397 10.429 601 HE22 GLN 76 2HE2 GLN 76 5.445 6.792 10.264 602 H VAL 77 H VAL 77 1.907 0.226 11.075 603 HA VAL 77 HA VAL 77 4.130 -1.143 12.161 604 HB VAL 77 HB VAL 77 2.164 -1.075 13.488 605 HG11 VAL 77 1HG1 VAL 77 0.077 -2.352 12.597 606 HG12 VAL 77 2HG1 VAL 77 0.795 -2.039 11.016 607 HG13 VAL 77 3HG1 VAL 77 0.381 -0.694 12.079 608 HG21 VAL 77 3HG2 VAL 77 1.743 -3.879 12.744 609 HG22 VAL 77 1HG2 VAL 77 2.264 -3.174 14.276 610 HG23 VAL 77 2HG2 VAL 77 3.437 -3.442 12.987 611 H GLY 78 H GLY 78 2.152 -1.651 9.348 612 HA2 GLY 78 2HA GLY 78 2.840 -2.994 7.518 613 HA3 GLY 78 1HA GLY 78 3.839 -3.918 8.618 614 H GLU 79 H GLU 79 0.417 -3.074 8.416 615 HA GLU 79 HA GLU 79 -0.208 -5.943 8.515 616 HB2 GLU 79 2HB GLU 79 -0.282 -4.618 10.751 617 HB3 GLU 79 1HB GLU 79 -1.776 -3.975 10.120 618 HG2 GLU 79 2HG GLU 79 -1.714 -6.832 9.853 619 HG3 GLU 79 1HG GLU 79 -1.381 -6.355 11.517 620 H VAL 80 H VAL 80 -2.719 -6.173 8.265 621 HA VAL 80 HA VAL 80 -3.362 -4.797 5.824 622 HB VAL 80 HB VAL 80 -5.073 -6.775 7.339 623 HG11 VAL 80 1HG1 VAL 80 -6.531 -5.758 5.876 624 HG12 VAL 80 2HG1 VAL 80 -5.918 -7.079 4.882 625 HG13 VAL 80 3HG1 VAL 80 -5.277 -5.449 4.674 626 HG21 VAL 80 3HG2 VAL 80 -2.989 -7.842 6.759 627 HG22 VAL 80 1HG2 VAL 80 -3.089 -7.228 5.107 628 HG23 VAL 80 2HG2 VAL 80 -4.253 -8.431 5.676 629 H SER 81 H SER 81 -5.117 -3.395 5.501 630 HA SER 81 HA SER 81 -6.046 -2.109 7.972 631 HB2 SER 81 2HB SER 81 -4.796 -0.939 5.912 632 HB3 SER 81 1HB SER 81 -6.457 -0.794 5.337 633 HG SER 81 HG SER 81 -6.716 0.760 6.711 634 H GLU 82 H GLU 82 -8.213 -1.130 7.910 635 HA GLU 82 HA GLU 82 -10.207 -2.993 7.649 636 HB2 GLU 82 2HB GLU 82 -10.544 0.001 7.432 637 HB3 GLU 82 1HB GLU 82 -11.790 -1.154 7.884 638 HG2 GLU 82 2HG GLU 82 -11.217 -0.609 9.972 639 HG3 GLU 82 1HG GLU 82 -9.879 -1.726 9.712 640 HA PRO 83 HA PRO 83 -11.390 -3.420 3.449 641 HB2 PRO 83 2HB PRO 83 -14.137 -3.336 3.675 642 HB3 PRO 83 1HB PRO 83 -13.150 -4.765 3.995 643 HG2 PRO 83 2HG PRO 83 -14.292 -2.776 5.916 644 HG3 PRO 83 1HG PRO 83 -14.184 -4.541 6.059 645 HD2 PRO 83 2HD PRO 83 -12.474 -2.931 7.347 646 HD3 PRO 83 1HD PRO 83 -11.942 -4.480 6.659 647 H VAL 84 H VAL 84 -10.795 -1.635 2.345 648 HA VAL 84 HA VAL 84 -12.447 0.786 2.551 649 HB VAL 84 HB VAL 84 -9.782 0.374 1.180 650 HG11 VAL 84 1HG1 VAL 84 -11.097 2.106 0.095 651 HG12 VAL 84 2HG1 VAL 84 -9.740 2.814 0.971 652 HG13 VAL 84 3HG1 VAL 84 -11.368 2.899 1.648 653 HG21 VAL 84 3HG2 VAL 84 -10.545 1.434 3.868 654 HG22 VAL 84 1HG2 VAL 84 -9.095 2.023 3.053 655 HG23 VAL 84 2HG2 VAL 84 -9.259 0.307 3.429 656 H LYS 85 H LYS 85 -13.992 1.078 1.091 657 HA LYS 85 HA LYS 85 -13.780 -0.305 -1.489 658 HB2 LYS 85 2HB LYS 85 -15.803 -0.588 0.068 659 HB3 LYS 85 1HB LYS 85 -16.251 1.040 -0.416 660 HG2 LYS 85 2HG LYS 85 -15.645 -0.797 -2.627 661 HG3 LYS 85 1HG LYS 85 -17.069 -1.204 -1.669 662 HD2 LYS 85 2HD LYS 85 -17.233 1.553 -2.077 663 HD3 LYS 85 1HD LYS 85 -16.700 0.891 -3.623 664 HE2 LYS 85 2HE LYS 85 -18.685 -0.068 -4.024 665 HE3 LYS 85 1HE LYS 85 -18.840 -0.650 -2.368 666 HZ1 LYS 85 3HZ LYS 85 -19.716 1.898 -3.530 667 HZ2 LYS 85 1HZ LYS 85 -19.303 1.852 -1.890 668 HZ3 LYS 85 2HZ LYS 85 -20.538 0.857 -2.480 669 H SER 86 H SER 86 -12.974 0.895 -3.071 670 HA SER 86 HA SER 86 -13.627 3.768 -3.130 671 HB2 SER 86 2HB SER 86 -11.473 2.704 -4.878 672 HB3 SER 86 1HB SER 86 -11.551 4.219 -3.980 673 HG SER 86 HG SER 86 -10.030 2.916 -3.008 674 H GLU 87 H GLU 87 -13.145 4.399 -5.712 675 HA GLU 87 HA GLU 87 -15.495 3.617 -7.022 676 HB2 GLU 87 2HB GLU 87 -14.336 4.629 -9.070 677 HB3 GLU 87 1HB GLU 87 -14.581 5.679 -7.681 678 HG2 GLU 87 2HG GLU 87 -12.059 4.404 -7.399 679 HG3 GLU 87 1HG GLU 87 -12.174 5.062 -9.030 680 H PHE 88 H PHE 88 -12.474 2.033 -6.759 681 HA PHE 88 HA PHE 88 -12.830 0.462 -9.174 682 HB2 PHE 88 2HB PHE 88 -10.667 0.885 -7.198 683 HB3 PHE 88 1HB PHE 88 -10.722 -0.698 -7.959 684 HD1 PHE 88 1HD PHE 88 -10.783 2.927 -8.798 685 HD2 PHE 88 2HD PHE 88 -9.686 -1.006 -10.001 686 HE1 PHE 88 1HE PHE 88 -9.642 3.853 -10.772 687 HE2 PHE 88 2HE PHE 88 -8.542 -0.086 -11.975 688 HZ PHE 88 HZ PHE 88 -8.519 2.346 -12.364 689 H GLY 89 H GLY 89 -12.954 -0.000 -5.655 690 HA2 GLY 89 2HA GLY 89 -14.942 -1.811 -5.466 691 HA3 GLY 89 1HA GLY 89 -13.587 -2.817 -5.948 692 H TYR 90 H TYR 90 -13.898 -3.928 -3.924 693 HA TYR 90 HA TYR 90 -13.381 -2.503 -1.473 694 HB2 TYR 90 2HB TYR 90 -14.659 -4.886 -2.205 695 HB3 TYR 90 1HB TYR 90 -13.247 -5.399 -1.302 696 HD1 TYR 90 1HD TYR 90 -15.183 -2.285 -0.721 697 HD2 TYR 90 2HD TYR 90 -14.310 -6.209 0.651 698 HE1 TYR 90 1HE TYR 90 -16.384 -1.818 1.376 699 HE2 TYR 90 2HE TYR 90 -15.502 -5.755 2.748 700 HH TYR 90 HH TYR 90 -17.464 -2.968 3.176 701 H HIS 91 H HIS 91 -11.357 -1.717 -1.466 702 HA HIS 91 HA HIS 91 -9.096 -3.257 -2.373 703 HB2 HIS 91 2HB HIS 91 -9.413 -0.505 -1.182 704 HB3 HIS 91 1HB HIS 91 -7.840 -1.192 -1.555 705 HD1 HIS 91 1HD HIS 91 -10.282 0.938 -2.962 706 HD2 HIS 91 2HD HIS 91 -7.813 -2.040 -4.475 707 HE1 HIS 91 1HE HIS 91 -10.145 1.372 -5.434 708 HE2 HIS 91 2HE HIS 91 -8.552 -0.372 -6.308 709 H VAL 92 H VAL 92 -7.093 -3.215 -1.042 710 HA VAL 92 HA VAL 92 -7.437 -3.521 1.834 711 HB VAL 92 HB VAL 92 -6.081 -5.714 0.261 712 HG11 VAL 92 1HG1 VAL 92 -5.305 -6.086 2.336 713 HG12 VAL 92 2HG1 VAL 92 -6.902 -6.780 2.620 714 HG13 VAL 92 3HG1 VAL 92 -6.567 -5.114 3.092 715 HG21 VAL 92 3HG2 VAL 92 -8.102 -7.092 0.731 716 HG22 VAL 92 1HG2 VAL 92 -8.384 -5.783 -0.417 717 HG23 VAL 92 2HG2 VAL 92 -8.929 -5.623 1.253 718 H ILE 93 H ILE 93 -5.347 -3.370 2.962 719 HA ILE 93 HA ILE 93 -3.086 -2.666 1.234 720 HB ILE 93 HB ILE 93 -3.319 -0.811 3.478 721 HG12 ILE 93 2HG1 ILE 93 -5.391 -0.727 1.273 722 HG13 ILE 93 1HG1 ILE 93 -5.699 -0.946 2.993 723 HG21 ILE 93 1HG2 ILE 93 -2.012 0.382 2.138 724 HG22 ILE 93 2HG2 ILE 93 -3.219 0.370 0.857 725 HG23 ILE 93 3HG2 ILE 93 -2.062 -0.954 0.987 726 HD11 ILE 93 3HD1 ILE 93 -6.206 1.274 2.670 727 HD12 ILE 93 1HD1 ILE 93 -4.897 1.516 1.514 728 HD13 ILE 93 2HD1 ILE 93 -4.537 1.355 3.233 729 H LYS 94 H LYS 94 -1.314 -3.623 1.872 730 HA LYS 94 HA LYS 94 -0.813 -4.033 4.741 731 HB2 LYS 94 2HB LYS 94 -1.440 -6.199 3.819 732 HB3 LYS 94 1HB LYS 94 -0.276 -6.008 2.518 733 HG2 LYS 94 2HG LYS 94 0.678 -7.494 4.090 734 HG3 LYS 94 1HG LYS 94 1.526 -5.956 4.256 735 HD2 LYS 94 2HD LYS 94 0.827 -5.674 6.366 736 HD3 LYS 94 1HD LYS 94 -0.819 -6.178 5.978 737 HE2 LYS 94 2HE LYS 94 0.461 -7.631 7.620 738 HE3 LYS 94 1HE LYS 94 -0.303 -8.454 6.262 739 HZ1 LYS 94 3HZ LYS 94 2.490 -7.584 6.011 740 HZ2 LYS 94 1HZ LYS 94 1.701 -8.891 5.280 741 HZ3 LYS 94 2HZ LYS 94 2.146 -8.975 6.909 742 H ARG 95 H ARG 95 0.933 -2.874 5.273 743 HA ARG 95 HA ARG 95 2.566 -1.563 3.462 744 HB2 ARG 95 2HB ARG 95 2.223 -1.450 6.150 745 HB3 ARG 95 1HB ARG 95 3.814 -2.193 6.056 746 HG2 ARG 95 2HG ARG 95 3.764 -0.030 4.228 747 HG3 ARG 95 1HG ARG 95 3.108 0.539 5.764 748 HD2 ARG 95 2HD ARG 95 5.612 0.750 5.473 749 HD3 ARG 95 1HD ARG 95 5.065 -0.065 6.937 750 HE ARG 95 HE ARG 95 5.614 -1.862 4.767 751 HH11 ARG 95 1HH1 ARG 95 7.016 -0.104 7.434 752 HH12 ARG 95 2HH1 ARG 95 8.360 -1.183 7.602 753 HH21 ARG 95 1HH2 ARG 95 7.380 -3.283 4.986 754 HH22 ARG 95 2HH2 ARG 95 8.566 -2.988 6.212 755 H LEU 96 H LEU 96 4.362 -1.969 2.426 756 HA LEU 96 HA LEU 96 6.112 -4.127 3.094 757 HB2 LEU 96 2HB LEU 96 5.620 -5.545 1.431 758 HB3 LEU 96 1HB LEU 96 4.060 -4.764 1.445 759 HG LEU 96 HG LEU 96 5.062 -3.193 -0.347 760 HD11 LEU 96 1HD1 LEU 96 6.736 -4.747 -1.713 761 HD12 LEU 96 2HD1 LEU 96 7.158 -5.270 -0.082 762 HD13 LEU 96 3HD1 LEU 96 7.297 -3.568 -0.526 763 HD21 LEU 96 3HD2 LEU 96 4.227 -4.555 -2.050 764 HD22 LEU 96 1HD2 LEU 96 3.353 -5.067 -0.607 765 HD23 LEU 96 2HD2 LEU 96 4.691 -6.039 -1.217 766 H GLY 97 H GLY 97 8.018 -3.199 2.963 767 HA2 GLY 97 2HA GLY 97 8.820 -1.762 0.588 768 HA3 GLY 97 1HA GLY 97 8.744 -0.781 2.038 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 24.497 1.157 6.267 2 H2 GLY 1 2HT GLY 1 25.277 0.189 5.120 3 H3 GLY 1 3HT GLY 1 23.848 -0.348 5.845 4 HA2 GLY 1 1HA GLY 1 23.695 0.573 3.488 5 HA3 GLY 1 2HA GLY 1 22.513 1.110 4.672 6 HA PRO 2 HA PRO 2 25.254 4.585 2.565 7 HB2 PRO 2 2HB PRO 2 22.646 5.061 1.200 8 HB3 PRO 2 1HB PRO 2 24.292 5.253 0.583 9 HG2 PRO 2 2HG PRO 2 22.808 3.167 -0.145 10 HG3 PRO 2 1HG PRO 2 24.543 2.984 0.170 11 HD2 PRO 2 2HD PRO 2 22.213 2.191 1.859 12 HD3 PRO 2 1HD PRO 2 23.781 1.385 1.643 13 H MET 3 H MET 3 24.635 6.938 2.700 14 HA MET 3 HA MET 3 22.794 7.351 4.963 15 HB2 MET 3 2HB MET 3 25.514 8.045 4.671 16 HB3 MET 3 1HB MET 3 24.612 9.551 4.582 17 HG2 MET 3 2HG MET 3 23.477 8.918 6.703 18 HG3 MET 3 1HG MET 3 24.553 7.526 6.805 19 HE1 MET 3 3HE MET 3 24.249 11.438 7.433 20 HE2 MET 3 1HE MET 3 25.268 11.249 8.861 21 HE3 MET 3 2HE MET 3 23.875 10.194 8.625 22 H GLY 4 H GLY 4 21.166 8.784 4.768 23 HA2 GLY 4 2HA GLY 4 20.063 10.690 3.923 24 HA3 GLY 4 1HA GLY 4 21.205 10.731 2.589 25 H SER 5 H SER 5 18.875 8.351 3.869 26 HA SER 5 HA SER 5 18.131 7.634 1.154 27 HB2 SER 5 2HB SER 5 17.702 6.466 3.861 28 HB3 SER 5 1HB SER 5 16.514 6.090 2.613 29 HG SER 5 HG SER 5 17.957 4.935 1.567 30 H MET 6 H MET 6 16.008 7.737 0.336 31 HA MET 6 HA MET 6 14.315 9.746 1.670 32 HB2 MET 6 2HB MET 6 15.405 10.145 -0.687 33 HB3 MET 6 1HB MET 6 14.086 9.130 -1.251 34 HG2 MET 6 2HG MET 6 12.467 10.664 -0.633 35 HG3 MET 6 1HG MET 6 13.538 11.487 0.501 36 HE1 MET 6 3HE MET 6 12.519 13.797 -0.622 37 HE2 MET 6 1HE MET 6 11.593 12.802 -1.747 38 HE3 MET 6 2HE MET 6 12.606 14.111 -2.355 39 H ALA 7 H ALA 7 12.445 9.041 2.441 40 HA ALA 7 HA ALA 7 11.124 6.770 1.115 41 HB1 ALA 7 1HB ALA 7 11.243 7.083 4.108 42 HB2 ALA 7 2HB ALA 7 12.347 6.058 3.190 43 HB3 ALA 7 3HB ALA 7 10.617 5.717 3.185 44 H ASP 8 H ASP 8 10.604 9.580 0.837 45 HA ASP 8 HA ASP 8 8.562 10.588 2.418 46 HB2 ASP 8 2HB ASP 8 9.760 11.225 -0.102 47 HB3 ASP 8 1HB ASP 8 8.011 11.336 -0.275 48 H LYS 9 H LYS 9 8.468 8.147 -0.062 49 HA LYS 9 HA LYS 9 5.602 8.109 -0.255 50 HB2 LYS 9 2HB LYS 9 7.744 6.325 -1.370 51 HB3 LYS 9 1HB LYS 9 6.033 6.137 -1.697 52 HG2 LYS 9 2HG LYS 9 6.936 7.260 -3.535 53 HG3 LYS 9 1HG LYS 9 6.067 8.481 -2.609 54 HD2 LYS 9 2HD LYS 9 7.962 9.601 -2.098 55 HD3 LYS 9 1HD LYS 9 8.900 8.120 -1.896 56 HE2 LYS 9 2HE LYS 9 8.331 8.186 -4.600 57 HE3 LYS 9 1HE LYS 9 8.657 9.867 -4.195 58 HZ1 LYS 9 3HZ LYS 9 10.733 9.021 -4.707 59 HZ2 LYS 9 1HZ LYS 9 10.441 7.534 -3.953 60 HZ3 LYS 9 2HZ LYS 9 10.710 8.918 -3.018 61 H ILE 10 H ILE 10 4.639 5.856 -0.245 62 HA ILE 10 HA ILE 10 5.423 4.478 2.232 63 HB ILE 10 HB ILE 10 2.640 4.045 1.507 64 HG12 ILE 10 2HG1 ILE 10 3.407 6.852 2.330 65 HG13 ILE 10 1HG1 ILE 10 2.861 6.389 0.722 66 HG21 ILE 10 1HG2 ILE 10 2.527 4.977 3.984 67 HG22 ILE 10 2HG2 ILE 10 4.259 4.660 3.914 68 HG23 ILE 10 3HG2 ILE 10 3.111 3.353 3.621 69 HD11 ILE 10 3HD1 ILE 10 1.087 7.398 2.089 70 HD12 ILE 10 1HD1 ILE 10 1.252 6.073 3.241 71 HD13 ILE 10 2HD1 ILE 10 0.712 5.748 1.594 72 H LYS 11 H LYS 11 5.510 2.318 2.140 73 HA LYS 11 HA LYS 11 5.128 1.140 -0.521 74 HB2 LYS 11 2HB LYS 11 6.933 0.062 1.636 75 HB3 LYS 11 1HB LYS 11 6.945 -0.310 -0.084 76 HG2 LYS 11 2HG LYS 11 8.254 1.429 -0.573 77 HG3 LYS 11 1HG LYS 11 7.335 2.549 0.449 78 HD2 LYS 11 2HD LYS 11 9.218 2.534 1.693 79 HD3 LYS 11 1HD LYS 11 8.565 1.021 2.325 80 HE2 LYS 11 2HE LYS 11 10.280 -0.122 1.495 81 HE3 LYS 11 1HE LYS 11 9.983 0.526 -0.118 82 HZ1 LYS 11 3HZ LYS 11 12.197 1.084 0.628 83 HZ2 LYS 11 1HZ LYS 11 11.584 1.830 2.018 84 HZ3 LYS 11 2HZ LYS 11 11.271 2.493 0.493 85 H CYS 12 H CYS 12 3.135 0.355 -0.475 86 HA CYS 12 HA CYS 12 2.501 -1.663 1.565 87 HB2 CYS 12 2HB CYS 12 1.333 0.691 1.662 88 HB3 CYS 12 1HB CYS 12 0.352 0.043 0.355 89 HG CYS 12 HG CYS 12 -0.678 -1.625 1.975 90 H SER 13 H SER 13 0.352 -2.826 0.716 91 HA SER 13 HA SER 13 0.834 -3.610 -2.079 92 HB2 SER 13 2HB SER 13 1.452 -5.525 -0.902 93 HB3 SER 13 1HB SER 13 0.261 -5.251 0.369 94 HG SER 13 HG SER 13 -1.347 -5.926 -1.020 95 H HIS 14 H HIS 14 -1.170 -4.526 -3.158 96 HA HIS 14 HA HIS 14 -3.644 -3.448 -2.011 97 HB2 HIS 14 2HB HIS 14 -2.930 -1.695 -3.473 98 HB3 HIS 14 1HB HIS 14 -2.572 -2.836 -4.765 99 HD1 HIS 14 1HD HIS 14 -4.215 -2.446 -6.557 100 HD2 HIS 14 2HD HIS 14 -5.973 -2.268 -2.798 101 HE1 HIS 14 1HE HIS 14 -6.670 -2.100 -6.980 102 HE2 HIS 14 2HE HIS 14 -7.728 -2.145 -4.694 103 H ILE 15 H ILE 15 -5.479 -4.549 -2.462 104 HA ILE 15 HA ILE 15 -5.523 -6.618 -4.489 105 HB ILE 15 HB ILE 15 -5.813 -7.280 -1.554 106 HG12 ILE 15 2HG1 ILE 15 -4.141 -9.126 -2.412 107 HG13 ILE 15 1HG1 ILE 15 -3.819 -7.958 -3.685 108 HG21 ILE 15 1HG2 ILE 15 -6.028 -9.626 -3.060 109 HG22 ILE 15 2HG2 ILE 15 -7.104 -8.464 -3.835 110 HG23 ILE 15 3HG2 ILE 15 -7.294 -8.835 -2.119 111 HD11 ILE 15 3HD1 ILE 15 -3.665 -6.438 -1.409 112 HD12 ILE 15 1HD1 ILE 15 -2.302 -7.127 -2.291 113 HD13 ILE 15 2HD1 ILE 15 -2.980 -7.983 -0.906 114 H LEU 16 H LEU 16 -7.439 -6.401 -5.483 115 HA LEU 16 HA LEU 16 -9.708 -5.353 -3.928 116 HB2 LEU 16 2HB LEU 16 -8.651 -4.545 -6.402 117 HB3 LEU 16 1HB LEU 16 -10.156 -5.352 -6.775 118 HG LEU 16 HG LEU 16 -9.920 -3.109 -4.774 119 HD11 LEU 16 1HD1 LEU 16 -10.684 -1.613 -6.424 120 HD12 LEU 16 2HD1 LEU 16 -11.015 -2.919 -7.565 121 HD13 LEU 16 3HD1 LEU 16 -9.349 -2.500 -7.161 122 HD21 LEU 16 3HD2 LEU 16 -11.908 -4.987 -5.118 123 HD22 LEU 16 1HD2 LEU 16 -12.481 -3.612 -6.061 124 HD23 LEU 16 2HD2 LEU 16 -12.090 -3.409 -4.355 125 H VAL 17 H VAL 17 -11.598 -6.425 -3.819 126 HA VAL 17 HA VAL 17 -12.113 -8.694 -5.563 127 HB VAL 17 HB VAL 17 -12.706 -10.152 -3.636 128 HG11 VAL 17 1HG1 VAL 17 -10.772 -11.012 -4.344 129 HG12 VAL 17 2HG1 VAL 17 -10.052 -10.223 -2.942 130 HG13 VAL 17 3HG1 VAL 17 -10.019 -9.430 -4.513 131 HG21 VAL 17 3HG2 VAL 17 -11.163 -9.303 -1.556 132 HG22 VAL 17 1HG2 VAL 17 -12.909 -9.083 -1.673 133 HG23 VAL 17 2HG2 VAL 17 -11.822 -7.780 -2.158 134 H LYS 18 H LYS 18 -14.263 -8.896 -6.010 135 HA LYS 18 HA LYS 18 -16.028 -6.856 -5.131 136 HB2 LYS 18 2HB LYS 18 -16.156 -9.159 -6.961 137 HB3 LYS 18 1HB LYS 18 -17.691 -8.735 -6.219 138 HG2 LYS 18 2HG LYS 18 -17.945 -7.134 -7.719 139 HG3 LYS 18 1HG LYS 18 -16.519 -6.323 -7.071 140 HD2 LYS 18 2HD LYS 18 -15.086 -7.506 -8.596 141 HD3 LYS 18 1HD LYS 18 -16.430 -8.504 -9.152 142 HE2 LYS 18 2HE LYS 18 -17.465 -6.114 -9.688 143 HE3 LYS 18 1HE LYS 18 -15.757 -5.685 -9.788 144 HZ1 LYS 18 3HZ LYS 18 -17.205 -7.721 -11.383 145 HZ2 LYS 18 1HZ LYS 18 -15.517 -7.599 -11.355 146 HZ3 LYS 18 2HZ LYS 18 -16.448 -6.316 -11.942 147 H LYS 19 H LYS 19 -15.563 -10.222 -4.193 148 HA LYS 19 HA LYS 19 -17.855 -10.314 -2.503 149 HB2 LYS 19 2HB LYS 19 -16.522 -12.345 -1.541 150 HB3 LYS 19 1HB LYS 19 -17.195 -12.416 -3.163 151 HG2 LYS 19 2HG LYS 19 -15.183 -12.441 -4.168 152 HG3 LYS 19 1HG LYS 19 -14.427 -11.432 -2.936 153 HD2 LYS 19 2HD LYS 19 -13.483 -13.307 -2.164 154 HD3 LYS 19 1HD LYS 19 -15.083 -13.758 -1.580 155 HE2 LYS 19 2HE LYS 19 -13.776 -14.529 -4.180 156 HE3 LYS 19 1HE LYS 19 -14.254 -15.588 -2.854 157 HZ1 LYS 19 3HZ LYS 19 -15.917 -15.843 -4.445 158 HZ2 LYS 19 1HZ LYS 19 -15.982 -14.191 -4.803 159 HZ3 LYS 19 2HZ LYS 19 -16.598 -14.764 -3.335 160 H GLN 20 H GLN 20 -17.533 -8.303 -1.468 161 HA GLN 20 HA GLN 20 -15.440 -7.387 -0.026 162 HB2 GLN 20 2HB GLN 20 -17.119 -6.199 1.399 163 HB3 GLN 20 1HB GLN 20 -17.375 -6.030 -0.331 164 HG2 GLN 20 2HG GLN 20 -19.221 -7.462 -0.315 165 HG3 GLN 20 1HG GLN 20 -18.809 -8.116 1.269 166 HE21 GLN 20 1HE2 GLN 20 -18.586 -6.194 2.942 167 HE22 GLN 20 2HE2 GLN 20 -19.960 -5.148 2.986 168 H GLY 21 H GLY 21 -17.463 -10.070 0.915 169 HA2 GLY 21 2HA GLY 21 -16.844 -9.957 3.682 170 HA3 GLY 21 1HA GLY 21 -17.399 -11.387 2.819 171 H GLU 22 H GLU 22 -15.204 -11.242 0.901 172 HA GLU 22 HA GLU 22 -13.290 -12.768 2.352 173 HB2 GLU 22 2HB GLU 22 -12.244 -13.116 0.287 174 HB3 GLU 22 1HB GLU 22 -13.948 -12.986 -0.106 175 HG2 GLU 22 2HG GLU 22 -13.580 -11.287 -1.455 176 HG3 GLU 22 1HG GLU 22 -12.621 -10.437 -0.256 177 H ALA 23 H ALA 23 -13.478 -9.509 1.106 178 HA ALA 23 HA ALA 23 -10.886 -8.618 1.418 179 HB1 ALA 23 1HB ALA 23 -11.735 -6.425 1.390 180 HB2 ALA 23 2HB ALA 23 -13.256 -6.911 2.137 181 HB3 ALA 23 3HB ALA 23 -12.907 -7.370 0.470 182 H LEU 24 H LEU 24 -13.413 -9.030 3.841 183 HA LEU 24 HA LEU 24 -11.934 -7.816 5.970 184 HB2 LEU 24 2HB LEU 24 -14.533 -8.420 5.651 185 HB3 LEU 24 1HB LEU 24 -14.033 -9.823 6.576 186 HG LEU 24 HG LEU 24 -14.958 -7.997 7.973 187 HD11 LEU 24 1HD1 LEU 24 -13.632 -8.582 9.683 188 HD12 LEU 24 2HD1 LEU 24 -12.165 -8.054 8.859 189 HD13 LEU 24 3HD1 LEU 24 -12.858 -9.633 8.497 190 HD21 LEU 24 3HD2 LEU 24 -13.536 -6.325 6.360 191 HD22 LEU 24 1HD2 LEU 24 -12.523 -6.379 7.803 192 HD23 LEU 24 2HD2 LEU 24 -14.211 -5.884 7.928 193 H ALA 25 H ALA 25 -12.192 -11.026 4.630 194 HA ALA 25 HA ALA 25 -10.853 -12.288 6.860 195 HB1 ALA 25 1HB ALA 25 -10.821 -14.258 5.194 196 HB2 ALA 25 2HB ALA 25 -11.863 -13.235 4.203 197 HB3 ALA 25 3HB ALA 25 -12.375 -13.707 5.823 198 H VAL 26 H VAL 26 -10.013 -11.302 3.563 199 HA VAL 26 HA VAL 26 -7.521 -12.444 3.319 200 HB VAL 26 HB VAL 26 -7.004 -10.906 1.633 201 HG11 VAL 26 1HG1 VAL 26 -9.565 -12.022 1.764 202 HG12 VAL 26 2HG1 VAL 26 -8.684 -11.512 0.325 203 HG13 VAL 26 3HG1 VAL 26 -9.784 -10.391 1.128 204 HG21 VAL 26 3HG2 VAL 26 -8.519 -8.736 1.523 205 HG22 VAL 26 1HG2 VAL 26 -7.025 -8.783 2.463 206 HG23 VAL 26 2HG2 VAL 26 -8.580 -8.991 3.267 207 H GLN 27 H GLN 27 -8.434 -9.570 5.141 208 HA GLN 27 HA GLN 27 -5.835 -8.621 5.611 209 HB2 GLN 27 2HB GLN 27 -6.760 -7.169 7.176 210 HB3 GLN 27 1HB GLN 27 -8.112 -7.487 6.103 211 HG2 GLN 27 2HG GLN 27 -9.307 -8.524 7.700 212 HG3 GLN 27 1HG GLN 27 -7.897 -9.240 8.466 213 HE21 GLN 27 1HE2 GLN 27 -8.751 -5.882 7.754 214 HE22 GLN 27 2HE2 GLN 27 -8.637 -5.327 9.386 215 H GLU 28 H GLU 28 -7.868 -10.846 7.474 216 HA GLU 28 HA GLU 28 -5.839 -11.411 9.409 217 HB2 GLU 28 2HB GLU 28 -7.382 -12.886 10.387 218 HB3 GLU 28 1HB GLU 28 -8.376 -11.608 9.709 219 HG2 GLU 28 2HG GLU 28 -9.508 -13.050 8.478 220 HG3 GLU 28 1HG GLU 28 -8.032 -13.710 7.783 221 H ARG 29 H ARG 29 -6.772 -12.667 6.329 222 HA ARG 29 HA ARG 29 -5.386 -15.166 6.546 223 HB2 ARG 29 2HB ARG 29 -7.416 -14.403 5.041 224 HB3 ARG 29 1HB ARG 29 -6.137 -13.946 3.928 225 HG2 ARG 29 2HG ARG 29 -6.924 -16.135 3.377 226 HG3 ARG 29 1HG ARG 29 -5.283 -16.262 4.017 227 HD2 ARG 29 2HD ARG 29 -6.154 -17.878 5.313 228 HD3 ARG 29 1HD ARG 29 -6.756 -16.533 6.282 229 HE ARG 29 HE ARG 29 -8.528 -17.323 4.158 230 HH11 ARG 29 1HH1 ARG 29 -7.581 -17.909 7.466 231 HH12 ARG 29 2HH1 ARG 29 -9.107 -18.595 7.913 232 HH21 ARG 29 1HH2 ARG 29 -10.535 -18.225 4.745 233 HH22 ARG 29 2HH2 ARG 29 -10.784 -18.774 6.369 234 H LEU 30 H LEU 30 -4.690 -11.999 5.197 235 HA LEU 30 HA LEU 30 -2.500 -12.555 3.616 236 HB2 LEU 30 2HB LEU 30 -3.728 -10.342 4.008 237 HB3 LEU 30 1HB LEU 30 -2.660 -10.121 5.378 238 HG LEU 30 HG LEU 30 -1.849 -8.904 3.430 239 HD11 LEU 30 1HD1 LEU 30 -0.342 -10.268 5.112 240 HD12 LEU 30 2HD1 LEU 30 0.353 -9.410 3.736 241 HD13 LEU 30 3HD1 LEU 30 0.081 -11.151 3.646 242 HD21 LEU 30 3HD2 LEU 30 -1.701 -9.741 1.356 243 HD22 LEU 30 1HD2 LEU 30 -2.805 -10.980 1.956 244 HD23 LEU 30 2HD2 LEU 30 -1.068 -11.289 1.918 245 H LYS 31 H LYS 31 -2.364 -11.507 7.030 246 HA LYS 31 HA LYS 31 0.412 -12.075 7.270 247 HB2 LYS 31 2HB LYS 31 0.144 -11.582 9.611 248 HB3 LYS 31 1HB LYS 31 -0.797 -10.428 8.679 249 HG2 LYS 31 2HG LYS 31 -2.356 -12.755 9.418 250 HG3 LYS 31 1HG LYS 31 -1.679 -11.927 10.823 251 HD2 LYS 31 2HD LYS 31 -2.610 -9.872 9.209 252 HD3 LYS 31 1HD LYS 31 -3.836 -11.130 9.053 253 HE2 LYS 31 2HE LYS 31 -4.393 -11.055 11.280 254 HE3 LYS 31 1HE LYS 31 -2.807 -10.457 11.765 255 HZ1 LYS 31 3HZ LYS 31 -4.305 -8.677 12.023 256 HZ2 LYS 31 1HZ LYS 31 -5.015 -8.933 10.509 257 HZ3 LYS 31 2HZ LYS 31 -3.439 -8.331 10.614 258 H ALA 32 H ALA 32 -2.249 -14.123 7.146 259 HA ALA 32 HA ALA 32 -1.426 -16.084 9.046 260 HB1 ALA 32 1HB ALA 32 -3.765 -15.734 8.197 261 HB2 ALA 32 2HB ALA 32 -3.206 -17.406 8.232 262 HB3 ALA 32 3HB ALA 32 -3.256 -16.526 6.705 263 H GLY 33 H GLY 33 0.861 -15.640 7.672 264 HA2 GLY 33 2HA GLY 33 2.563 -16.965 6.875 265 HA3 GLY 33 1HA GLY 33 1.400 -18.246 6.623 266 H GLU 34 H GLU 34 -0.079 -15.891 5.029 267 HA GLU 34 HA GLU 34 1.190 -16.669 2.513 268 HB2 GLU 34 2HB GLU 34 -1.218 -15.004 2.333 269 HB3 GLU 34 1HB GLU 34 -0.827 -16.514 1.527 270 HG2 GLU 34 2HG GLU 34 -1.422 -17.735 3.581 271 HG3 GLU 34 1HG GLU 34 -1.888 -16.206 4.324 272 H LYS 35 H LYS 35 1.531 -15.087 0.837 273 HA LYS 35 HA LYS 35 2.335 -12.484 1.950 274 HB2 LYS 35 2HB LYS 35 4.090 -14.081 0.976 275 HB3 LYS 35 1HB LYS 35 3.397 -13.696 -0.594 276 HG2 LYS 35 2HG LYS 35 3.903 -11.332 -0.240 277 HG3 LYS 35 1HG LYS 35 4.601 -11.720 1.334 278 HD2 LYS 35 2HD LYS 35 5.600 -13.070 -1.145 279 HD3 LYS 35 1HD LYS 35 6.166 -11.453 -0.716 280 HE2 LYS 35 2HE LYS 35 7.452 -12.225 0.950 281 HE3 LYS 35 1HE LYS 35 6.209 -13.342 1.514 282 HZ1 LYS 35 3HZ LYS 35 8.401 -13.788 -0.348 283 HZ2 LYS 35 1HZ LYS 35 6.940 -14.556 -0.719 284 HZ3 LYS 35 2HZ LYS 35 7.695 -14.845 0.767 285 H PHE 36 H PHE 36 1.840 -10.603 0.894 286 HA PHE 36 HA PHE 36 -0.587 -10.335 -0.364 287 HB2 PHE 36 2HB PHE 36 0.498 -8.154 -1.315 288 HB3 PHE 36 1HB PHE 36 0.275 -8.330 0.420 289 HD1 PHE 36 1HD PHE 36 2.809 -8.939 -2.242 290 HD2 PHE 36 2HD PHE 36 2.056 -7.931 1.824 291 HE1 PHE 36 1HE PHE 36 5.214 -8.541 -1.900 292 HE2 PHE 36 2HE PHE 36 4.459 -7.532 2.173 293 HZ PHE 36 HZ PHE 36 6.041 -7.836 0.311 294 H GLY 37 H GLY 37 2.484 -11.206 -1.737 295 HA2 GLY 37 2HA GLY 37 2.011 -10.645 -4.437 296 HA3 GLY 37 1HA GLY 37 3.095 -11.889 -3.834 297 H LYS 38 H LYS 38 1.016 -13.368 -2.457 298 HA LYS 38 HA LYS 38 0.139 -14.957 -4.668 299 HB2 LYS 38 2HB LYS 38 -1.019 -15.386 -1.961 300 HB3 LYS 38 1HB LYS 38 -0.445 -16.560 -3.132 301 HG2 LYS 38 2HG LYS 38 1.846 -15.205 -2.400 302 HG3 LYS 38 1HG LYS 38 0.927 -15.328 -0.899 303 HD2 LYS 38 2HD LYS 38 0.662 -17.836 -2.022 304 HD3 LYS 38 1HD LYS 38 2.325 -17.388 -2.409 305 HE2 LYS 38 2HE LYS 38 1.253 -17.012 0.361 306 HE3 LYS 38 1HE LYS 38 1.817 -18.596 -0.170 307 HZ1 LYS 38 3HZ LYS 38 3.596 -16.351 -0.686 308 HZ2 LYS 38 1HZ LYS 38 3.957 -17.927 -0.190 309 HZ3 LYS 38 2HZ LYS 38 3.406 -16.791 0.935 310 H LEU 39 H LEU 39 -1.544 -13.016 -2.210 311 HA LEU 39 HA LEU 39 -4.152 -13.455 -3.007 312 HB2 LEU 39 2HB LEU 39 -2.917 -10.947 -1.883 313 HB3 LEU 39 1HB LEU 39 -4.637 -11.192 -2.048 314 HG LEU 39 HG LEU 39 -4.149 -11.634 0.212 315 HD11 LEU 39 1HD1 LEU 39 -5.655 -13.260 -0.758 316 HD12 LEU 39 2HD1 LEU 39 -4.654 -14.013 0.483 317 HD13 LEU 39 3HD1 LEU 39 -4.291 -14.278 -1.222 318 HD21 LEU 39 3HD2 LEU 39 -2.085 -13.697 -0.411 319 HD22 LEU 39 1HD2 LEU 39 -2.328 -12.758 1.062 320 HD23 LEU 39 2HD2 LEU 39 -1.634 -11.993 -0.369 321 H ALA 40 H ALA 40 -1.768 -11.241 -4.359 322 HA ALA 40 HA ALA 40 -3.371 -9.631 -5.931 323 HB1 ALA 40 1HB ALA 40 -1.185 -8.963 -5.982 324 HB2 ALA 40 2HB ALA 40 -1.292 -9.775 -7.546 325 HB3 ALA 40 3HB ALA 40 -0.572 -10.608 -6.167 326 H LYS 41 H LYS 41 -1.884 -12.722 -6.847 327 HA LYS 41 HA LYS 41 -3.474 -12.846 -9.265 328 HB2 LYS 41 2HB LYS 41 -2.229 -14.852 -9.774 329 HB3 LYS 41 1HB LYS 41 -1.111 -13.607 -9.233 330 HG2 LYS 41 2HG LYS 41 -0.865 -14.638 -7.103 331 HG3 LYS 41 1HG LYS 41 -2.181 -15.765 -7.434 332 HD2 LYS 41 2HD LYS 41 -0.902 -17.068 -8.816 333 HD3 LYS 41 1HD LYS 41 0.137 -15.726 -9.299 334 HE2 LYS 41 2HE LYS 41 1.571 -16.065 -7.598 335 HE3 LYS 41 1HE LYS 41 0.283 -16.437 -6.454 336 HZ1 LYS 41 3HZ LYS 41 1.900 -18.288 -7.106 337 HZ2 LYS 41 1HZ LYS 41 1.039 -18.360 -8.561 338 HZ3 LYS 41 2HZ LYS 41 0.248 -18.650 -7.095 339 H GLU 42 H GLU 42 -3.584 -14.021 -6.021 340 HA GLU 42 HA GLU 42 -5.242 -16.277 -6.494 341 HB2 GLU 42 2HB GLU 42 -3.985 -15.007 -4.241 342 HB3 GLU 42 1HB GLU 42 -5.634 -15.440 -3.849 343 HG2 GLU 42 2HG GLU 42 -4.833 -17.706 -5.050 344 HG3 GLU 42 1HG GLU 42 -3.305 -17.148 -4.370 345 H LEU 43 H LEU 43 -6.162 -13.266 -4.719 346 HA LEU 43 HA LEU 43 -8.843 -13.677 -5.860 347 HB2 LEU 43 2HB LEU 43 -9.532 -12.303 -3.713 348 HB3 LEU 43 1HB LEU 43 -9.395 -14.044 -3.716 349 HG LEU 43 HG LEU 43 -8.429 -12.841 -1.722 350 HD11 LEU 43 1HD1 LEU 43 -7.455 -15.063 -3.197 351 HD12 LEU 43 2HD1 LEU 43 -7.413 -14.780 -1.457 352 HD13 LEU 43 3HD1 LEU 43 -6.086 -14.219 -2.474 353 HD21 LEU 43 3HD2 LEU 43 -6.775 -11.360 -1.886 354 HD22 LEU 43 1HD2 LEU 43 -7.209 -11.255 -3.590 355 HD23 LEU 43 2HD2 LEU 43 -5.905 -12.323 -3.078 356 H SER 44 H SER 44 -6.272 -11.410 -5.654 357 HA SER 44 HA SER 44 -7.781 -9.016 -5.777 358 HB2 SER 44 2HB SER 44 -5.195 -9.388 -5.534 359 HB3 SER 44 1HB SER 44 -5.218 -9.266 -7.283 360 HG SER 44 HG SER 44 -4.945 -7.218 -6.554 361 H ILE 45 H ILE 45 -9.010 -8.199 -7.319 362 HA ILE 45 HA ILE 45 -8.923 -9.472 -9.963 363 HB ILE 45 HB ILE 45 -11.224 -8.397 -10.209 364 HG12 ILE 45 2HG1 ILE 45 -11.723 -8.377 -7.364 365 HG13 ILE 45 1HG1 ILE 45 -10.454 -7.229 -7.764 366 HG21 ILE 45 1HG2 ILE 45 -12.322 -10.196 -9.043 367 HG22 ILE 45 2HG2 ILE 45 -10.901 -10.451 -8.030 368 HG23 ILE 45 3HG2 ILE 45 -10.825 -10.794 -9.758 369 HD11 ILE 45 3HD1 ILE 45 -12.511 -6.889 -9.654 370 HD12 ILE 45 1HD1 ILE 45 -11.974 -5.784 -8.385 371 HD13 ILE 45 2HD1 ILE 45 -13.251 -6.960 -8.051 372 H ASP 46 H ASP 46 -8.692 -6.363 -8.361 373 HA ASP 46 HA ASP 46 -8.218 -5.144 -11.000 374 HB2 ASP 46 2HB ASP 46 -10.408 -4.453 -10.149 375 HB3 ASP 46 1HB ASP 46 -9.654 -3.865 -8.674 376 H GLY 47 H GLY 47 -6.085 -4.785 -11.085 377 HA2 GLY 47 2HA GLY 47 -4.908 -2.748 -9.598 378 HA3 GLY 47 1HA GLY 47 -4.457 -4.261 -8.829 379 H GLY 48 H GLY 48 -2.910 -2.176 -10.332 380 HA2 GLY 48 2HA GLY 48 -1.990 -3.554 -12.707 381 HA3 GLY 48 1HA GLY 48 -1.333 -2.062 -12.041 382 H SER 49 H SER 49 -1.029 -3.116 -9.388 383 HA SER 49 HA SER 49 1.532 -4.377 -9.723 384 HB2 SER 49 2HB SER 49 1.307 -4.379 -7.092 385 HB3 SER 49 1HB SER 49 1.616 -2.879 -7.964 386 HG SER 49 HG SER 49 -0.870 -3.826 -6.983 387 H ALA 50 H ALA 50 -1.453 -5.660 -9.942 388 HA ALA 50 HA ALA 50 -1.299 -7.880 -8.169 389 HB1 ALA 50 1HB ALA 50 -2.839 -8.640 -10.394 390 HB2 ALA 50 2HB ALA 50 -3.128 -6.915 -10.168 391 HB3 ALA 50 3HB ALA 50 -3.420 -8.039 -8.840 392 H LYS 51 H LYS 51 0.067 -7.032 -11.177 393 HA LYS 51 HA LYS 51 0.879 -9.714 -11.900 394 HB2 LYS 51 2HB LYS 51 1.212 -6.967 -13.071 395 HB3 LYS 51 1HB LYS 51 2.134 -8.323 -13.679 396 HG2 LYS 51 2HG LYS 51 -0.860 -8.308 -13.515 397 HG3 LYS 51 1HG LYS 51 0.039 -7.786 -14.937 398 HD2 LYS 51 2HD LYS 51 0.357 -9.894 -15.596 399 HD3 LYS 51 1HD LYS 51 0.969 -10.359 -14.008 400 HE2 LYS 51 2HE LYS 51 -1.899 -9.941 -13.981 401 HE3 LYS 51 1HE LYS 51 -1.425 -11.153 -15.170 402 HZ1 LYS 51 3HZ LYS 51 -0.029 -12.097 -13.246 403 HZ2 LYS 51 1HZ LYS 51 -1.696 -12.377 -13.249 404 HZ3 LYS 51 2HZ LYS 51 -1.042 -11.182 -12.249 405 H ARG 52 H ARG 52 1.978 -7.066 -10.068 406 HA ARG 52 HA ARG 52 4.756 -7.994 -10.065 407 HB2 ARG 52 2HB ARG 52 3.483 -5.404 -9.181 408 HB3 ARG 52 1HB ARG 52 5.164 -5.808 -8.867 409 HG2 ARG 52 2HG ARG 52 5.014 -6.250 -11.537 410 HG3 ARG 52 1HG ARG 52 3.866 -4.924 -11.338 411 HD2 ARG 52 2HD ARG 52 5.768 -3.861 -9.910 412 HD3 ARG 52 1HD ARG 52 6.802 -4.995 -10.779 413 HE ARG 52 HE ARG 52 5.086 -3.428 -12.478 414 HH11 ARG 52 1HH1 ARG 52 8.171 -3.562 -10.854 415 HH12 ARG 52 2HH1 ARG 52 8.928 -2.437 -11.932 416 HH21 ARG 52 1HH2 ARG 52 6.078 -1.950 -13.896 417 HH22 ARG 52 2HH2 ARG 52 7.738 -1.520 -13.658 418 H ASP 53 H ASP 53 2.449 -9.249 -8.648 419 HA ASP 53 HA ASP 53 2.063 -10.329 -6.714 420 HB2 ASP 53 2HB ASP 53 3.842 -11.002 -5.430 421 HB3 ASP 53 1HB ASP 53 4.675 -10.492 -6.887 422 H GLY 54 H GLY 54 0.969 -7.822 -7.025 423 HA2 GLY 54 2HA GLY 54 -0.100 -6.161 -5.859 424 HA3 GLY 54 1HA GLY 54 -0.039 -7.281 -4.509 425 H SER 55 H SER 55 2.842 -5.987 -6.016 426 HA SER 55 HA SER 55 3.549 -4.750 -3.475 427 HB2 SER 55 2HB SER 55 5.805 -4.551 -4.435 428 HB3 SER 55 1HB SER 55 5.207 -6.205 -4.547 429 HG SER 55 HG SER 55 4.704 -5.814 -6.725 430 H LEU 56 H LEU 56 2.170 -2.928 -3.542 431 HA LEU 56 HA LEU 56 1.911 -1.103 -5.616 432 HB2 LEU 56 2HB LEU 56 1.895 -0.573 -2.644 433 HB3 LEU 56 1HB LEU 56 1.330 0.550 -3.850 434 HG LEU 56 HG LEU 56 0.122 -2.127 -3.185 435 HD11 LEU 56 1HD1 LEU 56 -0.211 0.212 -1.882 436 HD12 LEU 56 2HD1 LEU 56 -1.457 -1.030 -2.019 437 HD13 LEU 56 3HD1 LEU 56 -1.463 0.349 -3.118 438 HD21 LEU 56 3HD2 LEU 56 -0.008 -0.557 -5.613 439 HD22 LEU 56 1HD2 LEU 56 -1.599 -0.751 -4.875 440 HD23 LEU 56 2HD2 LEU 56 -0.635 -2.171 -5.277 441 H GLY 57 H GLY 57 4.365 -1.340 -3.097 442 HA2 GLY 57 2HA GLY 57 6.550 -0.580 -3.133 443 HA3 GLY 57 1HA GLY 57 6.255 0.083 -4.732 444 H TYR 58 H TYR 58 7.636 1.822 -3.749 445 HA TYR 58 HA TYR 58 6.557 3.473 -1.705 446 HB2 TYR 58 2HB TYR 58 8.356 4.853 -3.552 447 HB3 TYR 58 1HB TYR 58 8.492 4.625 -1.820 448 HD1 TYR 58 1HD TYR 58 9.372 3.282 -5.108 449 HD2 TYR 58 2HD TYR 58 9.718 2.729 -0.904 450 HE1 TYR 58 1HE TYR 58 11.180 1.656 -5.478 451 HE2 TYR 58 2HE TYR 58 11.526 1.101 -1.262 452 HH TYR 58 HH TYR 58 13.175 0.522 -2.957 453 H PHE 59 H PHE 59 4.764 4.586 -1.894 454 HA PHE 59 HA PHE 59 4.358 6.175 -4.333 455 HB2 PHE 59 2HB PHE 59 2.280 4.670 -2.751 456 HB3 PHE 59 1HB PHE 59 1.875 5.973 -3.854 457 HD1 PHE 59 1HD PHE 59 3.888 5.350 -6.013 458 HD2 PHE 59 2HD PHE 59 1.223 2.863 -3.814 459 HE1 PHE 59 1HE PHE 59 3.832 3.758 -7.887 460 HE2 PHE 59 2HE PHE 59 1.162 1.269 -5.686 461 HZ PHE 59 HZ PHE 59 2.466 1.716 -7.726 462 H GLY 60 H GLY 60 3.319 8.201 -3.980 463 HA2 GLY 60 2HA GLY 60 3.807 9.186 -1.257 464 HA3 GLY 60 1HA GLY 60 3.739 10.181 -2.697 465 H ARG 61 H ARG 61 2.307 11.364 -1.017 466 HA ARG 61 HA ARG 61 -0.378 10.266 -0.845 467 HB2 ARG 61 2HB ARG 61 -0.848 12.158 0.634 468 HB3 ARG 61 1HB ARG 61 0.583 11.285 1.166 469 HG2 ARG 61 2HG ARG 61 1.882 13.071 -0.178 470 HG3 ARG 61 1HG ARG 61 0.379 13.990 -0.088 471 HD2 ARG 61 2HD ARG 61 0.768 14.557 2.028 472 HD3 ARG 61 1HD ARG 61 1.065 12.881 2.485 473 HE ARG 61 HE ARG 61 3.031 14.897 1.896 474 HH11 ARG 61 1HH1 ARG 61 2.400 11.469 2.056 475 HH12 ARG 61 2HH1 ARG 61 4.065 11.045 2.271 476 HH21 ARG 61 1HH2 ARG 61 5.222 14.343 2.177 477 HH22 ARG 61 2HH2 ARG 61 5.667 12.676 2.338 478 H GLY 62 H GLY 62 -1.361 10.450 -2.780 479 HA2 GLY 62 2HA GLY 62 -2.748 12.495 -3.652 480 HA3 GLY 62 1HA GLY 62 -1.167 12.980 -4.227 481 H LYS 63 H LYS 63 -0.938 9.775 -4.458 482 HA LYS 63 HA LYS 63 -1.675 9.816 -7.274 483 HB2 LYS 63 2HB LYS 63 0.232 8.327 -5.603 484 HB3 LYS 63 1HB LYS 63 -0.553 7.359 -6.844 485 HG2 LYS 63 2HG LYS 63 0.115 9.339 -8.407 486 HG3 LYS 63 1HG LYS 63 1.289 9.683 -7.136 487 HD2 LYS 63 2HD LYS 63 1.158 6.864 -7.928 488 HD3 LYS 63 1HD LYS 63 1.682 7.954 -9.212 489 HE2 LYS 63 2HE LYS 63 3.116 8.867 -7.077 490 HE3 LYS 63 1HE LYS 63 3.049 7.136 -6.750 491 HZ1 LYS 63 3HZ LYS 63 4.910 7.307 -8.057 492 HZ2 LYS 63 1HZ LYS 63 4.278 8.548 -9.018 493 HZ3 LYS 63 2HZ LYS 63 3.741 6.959 -9.226 494 H MET 64 H MET 64 -2.413 7.979 -4.333 495 HA MET 64 HA MET 64 -4.340 6.346 -5.781 496 HB2 MET 64 2HB MET 64 -3.861 6.264 -2.814 497 HB3 MET 64 1HB MET 64 -4.470 4.988 -3.860 498 HG2 MET 64 2HG MET 64 -2.405 4.180 -3.836 499 HG3 MET 64 1HG MET 64 -1.990 5.510 -4.915 500 HE1 MET 64 3HE MET 64 -1.353 4.281 -0.957 501 HE2 MET 64 1HE MET 64 0.290 4.449 -1.578 502 HE3 MET 64 2HE MET 64 -0.916 3.552 -2.502 503 H VAL 65 H VAL 65 -6.510 5.997 -4.751 504 HA VAL 65 HA VAL 65 -7.980 8.370 -4.735 505 HB VAL 65 HB VAL 65 -9.869 7.025 -3.910 506 HG11 VAL 65 1HG1 VAL 65 -9.580 5.124 -5.698 507 HG12 VAL 65 2HG1 VAL 65 -8.139 6.045 -6.129 508 HG13 VAL 65 3HG1 VAL 65 -9.725 6.811 -6.192 509 HG21 VAL 65 3HG2 VAL 65 -8.418 4.488 -3.906 510 HG22 VAL 65 1HG2 VAL 65 -9.655 5.090 -2.802 511 HG23 VAL 65 2HG2 VAL 65 -7.973 5.570 -2.591 512 H LYS 66 H LYS 66 -9.369 9.164 -2.929 513 HA LYS 66 HA LYS 66 -7.810 10.052 -0.801 514 HB2 LYS 66 2HB LYS 66 -10.131 10.852 -1.816 515 HB3 LYS 66 1HB LYS 66 -10.762 9.941 -0.452 516 HG2 LYS 66 2HG LYS 66 -9.395 11.289 1.071 517 HG3 LYS 66 1HG LYS 66 -8.792 12.214 -0.305 518 HD2 LYS 66 2HD LYS 66 -11.299 12.647 -0.796 519 HD3 LYS 66 1HD LYS 66 -11.542 12.159 0.882 520 HE2 LYS 66 2HE LYS 66 -11.327 14.584 0.684 521 HE3 LYS 66 1HE LYS 66 -10.001 13.897 1.621 522 HZ1 LYS 66 3HZ LYS 66 -8.518 14.189 -0.148 523 HZ2 LYS 66 1HZ LYS 66 -9.410 15.625 -0.110 524 HZ3 LYS 66 2HZ LYS 66 -9.751 14.449 -1.276 525 HA PRO 67 HA PRO 67 -10.086 6.870 2.045 526 HB2 PRO 67 2HB PRO 67 -10.954 4.603 0.741 527 HB3 PRO 67 1HB PRO 67 -11.988 5.929 1.236 528 HG2 PRO 67 2HG PRO 67 -10.949 5.230 -1.434 529 HG3 PRO 67 1HG PRO 67 -12.428 6.091 -0.994 530 HD2 PRO 67 2HD PRO 67 -10.150 7.270 -2.009 531 HD3 PRO 67 1HD PRO 67 -11.399 8.115 -1.085 532 H PHE 68 H PHE 68 -8.493 5.602 -0.823 533 HA PHE 68 HA PHE 68 -7.128 3.497 0.558 534 HB2 PHE 68 2HB PHE 68 -7.693 3.534 -1.916 535 HB3 PHE 68 1HB PHE 68 -6.379 4.687 -2.113 536 HD1 PHE 68 1HD PHE 68 -7.221 1.216 -1.260 537 HD2 PHE 68 2HD PHE 68 -4.106 4.001 -2.062 538 HE1 PHE 68 1HE PHE 68 -5.624 -0.642 -1.487 539 HE2 PHE 68 2HE PHE 68 -2.502 2.149 -2.291 540 HZ PHE 68 HZ PHE 68 -3.261 -0.176 -2.002 541 H GLU 69 H GLU 69 -6.113 6.623 -0.809 542 HA GLU 69 HA GLU 69 -3.439 6.539 -0.038 543 HB2 GLU 69 2HB GLU 69 -4.727 8.235 -1.524 544 HB3 GLU 69 1HB GLU 69 -5.027 9.089 -0.018 545 HG2 GLU 69 2HG GLU 69 -2.368 8.723 0.164 546 HG3 GLU 69 1HG GLU 69 -2.555 8.810 -1.588 547 H ASP 70 H ASP 70 -6.315 7.341 1.772 548 HA ASP 70 HA ASP 70 -5.041 8.545 3.994 549 HB2 ASP 70 2HB ASP 70 -7.729 7.710 3.261 550 HB3 ASP 70 1HB ASP 70 -7.388 7.391 4.960 551 H ALA 71 H ALA 71 -6.233 5.237 3.447 552 HA ALA 71 HA ALA 71 -5.252 4.275 5.956 553 HB1 ALA 71 1HB ALA 71 -6.530 3.046 3.565 554 HB2 ALA 71 2HB ALA 71 -7.037 3.026 5.255 555 HB3 ALA 71 3HB ALA 71 -5.700 2.004 4.722 556 H ALA 72 H ALA 72 -3.708 5.015 3.061 557 HA ALA 72 HA ALA 72 -1.806 2.914 2.928 558 HB1 ALA 72 1HB ALA 72 -1.273 5.687 1.929 559 HB2 ALA 72 2HB ALA 72 -2.449 4.643 1.131 560 HB3 ALA 72 3HB ALA 72 -0.761 4.142 1.250 561 H PHE 73 H PHE 73 -1.599 6.223 4.226 562 HA PHE 73 HA PHE 73 0.946 5.568 5.496 563 HB2 PHE 73 2HB PHE 73 0.869 8.038 6.133 564 HB3 PHE 73 1HB PHE 73 1.013 7.668 4.418 565 HD1 PHE 73 1HD PHE 73 -1.638 8.268 6.973 566 HD2 PHE 73 2HD PHE 73 -0.331 8.817 2.961 567 HE1 PHE 73 1HE PHE 73 -3.631 9.636 6.516 568 HE2 PHE 73 2HE PHE 73 -2.322 10.185 2.496 569 HZ PHE 73 HZ PHE 73 -3.976 10.593 4.274 570 H ARG 74 H ARG 74 -1.894 4.686 6.370 571 HA ARG 74 HA ARG 74 -1.921 5.825 9.065 572 HB2 ARG 74 2HB ARG 74 -3.976 5.322 7.384 573 HB3 ARG 74 1HB ARG 74 -3.948 3.813 8.287 574 HG2 ARG 74 2HG ARG 74 -4.620 4.794 10.221 575 HG3 ARG 74 1HG ARG 74 -3.844 6.332 9.842 576 HD2 ARG 74 2HD ARG 74 -5.628 6.554 8.013 577 HD3 ARG 74 1HD ARG 74 -6.469 5.256 8.860 578 HE ARG 74 HE ARG 74 -5.732 7.398 10.602 579 HH11 ARG 74 1HH1 ARG 74 -8.110 6.361 8.268 580 HH12 ARG 74 2HH1 ARG 74 -9.368 7.356 8.920 581 HH21 ARG 74 1HH2 ARG 74 -7.384 8.707 11.462 582 HH22 ARG 74 2HH2 ARG 74 -8.955 8.690 10.733 583 H LEU 75 H LEU 75 -1.272 2.876 7.332 584 HA LEU 75 HA LEU 75 -0.900 1.440 9.863 585 HB2 LEU 75 2HB LEU 75 -1.207 0.491 7.030 586 HB3 LEU 75 1HB LEU 75 -0.700 -0.572 8.318 587 HG LEU 75 HG LEU 75 -3.378 0.538 7.728 588 HD11 LEU 75 1HD1 LEU 75 -3.154 -1.707 7.251 589 HD12 LEU 75 2HD1 LEU 75 -3.880 -1.723 8.859 590 HD13 LEU 75 3HD1 LEU 75 -2.150 -2.012 8.670 591 HD21 LEU 75 3HD2 LEU 75 -4.139 0.302 10.022 592 HD22 LEU 75 1HD2 LEU 75 -2.887 1.540 9.927 593 HD23 LEU 75 2HD2 LEU 75 -2.497 -0.063 10.552 594 H GLN 76 H GLN 76 1.043 2.922 10.017 595 HA GLN 76 HA GLN 76 3.316 2.323 8.382 596 HB2 GLN 76 2HB GLN 76 2.828 3.942 10.849 597 HB3 GLN 76 1HB GLN 76 4.480 3.524 10.417 598 HG2 GLN 76 2HG GLN 76 3.559 4.445 8.049 599 HG3 GLN 76 1HG GLN 76 2.619 5.424 9.174 600 HE21 GLN 76 1HE2 GLN 76 3.526 7.233 9.822 601 HE22 GLN 76 2HE2 GLN 76 5.217 7.584 9.826 602 H VAL 77 H VAL 77 1.796 0.881 11.054 603 HA VAL 77 HA VAL 77 4.003 -0.363 12.320 604 HB VAL 77 HB VAL 77 1.981 -0.275 13.559 605 HG11 VAL 77 1HG1 VAL 77 0.764 -1.207 11.037 606 HG12 VAL 77 2HG1 VAL 77 0.168 -0.054 12.231 607 HG13 VAL 77 3HG1 VAL 77 0.022 -1.787 12.527 608 HG21 VAL 77 3HG2 VAL 77 1.648 -3.122 12.949 609 HG22 VAL 77 1HG2 VAL 77 2.093 -2.327 14.460 610 HG23 VAL 77 2HG2 VAL 77 3.322 -2.637 13.235 611 H GLY 78 H GLY 78 2.166 -1.070 9.458 612 HA2 GLY 78 2HA GLY 78 2.964 -2.491 7.738 613 HA3 GLY 78 1HA GLY 78 3.929 -3.334 8.930 614 H GLU 79 H GLU 79 0.514 -2.583 8.456 615 HA GLU 79 HA GLU 79 -0.085 -5.442 8.715 616 HB2 GLU 79 2HB GLU 79 -0.268 -3.994 10.872 617 HB3 GLU 79 1HB GLU 79 -1.745 -3.415 10.144 618 HG2 GLU 79 2HG GLU 79 -1.635 -6.278 10.039 619 HG3 GLU 79 1HG GLU 79 -1.367 -5.712 11.687 620 H VAL 80 H VAL 80 -2.579 -5.715 8.381 621 HA VAL 80 HA VAL 80 -3.150 -4.478 5.848 622 HB VAL 80 HB VAL 80 -4.852 -6.418 7.423 623 HG11 VAL 80 1HG1 VAL 80 -5.550 -6.800 4.858 624 HG12 VAL 80 2HG1 VAL 80 -5.157 -5.083 4.808 625 HG13 VAL 80 3HG1 VAL 80 -6.380 -5.674 5.931 626 HG21 VAL 80 3HG2 VAL 80 -2.992 -6.993 5.118 627 HG22 VAL 80 1HG2 VAL 80 -3.953 -8.162 6.025 628 HG23 VAL 80 2HG2 VAL 80 -2.621 -7.316 6.811 629 H SER 81 H SER 81 -4.963 -3.151 5.397 630 HA SER 81 HA SER 81 -5.923 -1.718 7.770 631 HB2 SER 81 2HB SER 81 -4.795 -0.766 5.445 632 HB3 SER 81 1HB SER 81 -6.518 -0.511 5.168 633 HG SER 81 HG SER 81 -4.954 1.013 6.551 634 H GLU 82 H GLU 82 -8.099 -0.905 7.786 635 HA GLU 82 HA GLU 82 -10.028 -2.837 7.612 636 HB2 GLU 82 2HB GLU 82 -10.368 0.159 7.484 637 HB3 GLU 82 1HB GLU 82 -11.676 -0.978 7.781 638 HG2 GLU 82 2HG GLU 82 -11.231 -0.764 9.938 639 HG3 GLU 82 1HG GLU 82 -9.752 -1.674 9.642 640 HA PRO 83 HA PRO 83 -11.446 -3.349 3.500 641 HB2 PRO 83 2HB PRO 83 -14.179 -3.253 3.874 642 HB3 PRO 83 1HB PRO 83 -13.179 -4.681 4.160 643 HG2 PRO 83 2HG PRO 83 -14.204 -2.659 6.113 644 HG3 PRO 83 1HG PRO 83 -14.093 -4.421 6.277 645 HD2 PRO 83 2HD PRO 83 -12.309 -2.808 7.445 646 HD3 PRO 83 1HD PRO 83 -11.816 -4.360 6.736 647 H VAL 84 H VAL 84 -10.939 -1.594 2.309 648 HA VAL 84 HA VAL 84 -12.558 0.838 2.596 649 HB VAL 84 HB VAL 84 -9.986 0.366 1.075 650 HG11 VAL 84 1HG1 VAL 84 -11.340 2.026 -0.059 651 HG12 VAL 84 2HG1 VAL 84 -9.965 2.799 0.732 652 HG13 VAL 84 3HG1 VAL 84 -11.572 2.906 1.454 653 HG21 VAL 84 3HG2 VAL 84 -9.191 2.106 2.803 654 HG22 VAL 84 1HG2 VAL 84 -9.382 0.427 3.314 655 HG23 VAL 84 2HG2 VAL 84 -10.618 1.618 3.720 656 H LYS 85 H LYS 85 -14.394 0.576 1.446 657 HA LYS 85 HA LYS 85 -14.296 -0.597 -1.219 658 HB2 LYS 85 2HB LYS 85 -16.113 -1.344 0.163 659 HB3 LYS 85 1HB LYS 85 -16.576 0.308 0.543 660 HG2 LYS 85 2HG LYS 85 -18.087 -0.769 -1.070 661 HG3 LYS 85 1HG LYS 85 -17.309 0.674 -1.722 662 HD2 LYS 85 2HD LYS 85 -16.045 -0.512 -3.209 663 HD3 LYS 85 1HD LYS 85 -15.981 -1.944 -2.179 664 HE2 LYS 85 2HE LYS 85 -18.646 -1.777 -2.767 665 HE3 LYS 85 1HE LYS 85 -17.905 -1.196 -4.257 666 HZ1 LYS 85 3HZ LYS 85 -16.624 -3.542 -3.221 667 HZ2 LYS 85 1HZ LYS 85 -17.222 -3.236 -4.774 668 HZ3 LYS 85 2HZ LYS 85 -18.260 -3.800 -3.565 669 H SER 86 H SER 86 -13.776 0.693 -2.851 670 HA SER 86 HA SER 86 -14.726 3.484 -2.792 671 HB2 SER 86 2HB SER 86 -12.434 2.515 -4.490 672 HB3 SER 86 1HB SER 86 -12.806 4.162 -3.976 673 HG SER 86 HG SER 86 -11.890 2.032 -2.339 674 H GLU 87 H GLU 87 -14.468 4.243 -5.347 675 HA GLU 87 HA GLU 87 -16.738 3.210 -6.605 676 HB2 GLU 87 2HB GLU 87 -15.984 4.467 -8.594 677 HB3 GLU 87 1HB GLU 87 -15.894 5.425 -7.123 678 HG2 GLU 87 2HG GLU 87 -13.407 4.454 -7.149 679 HG3 GLU 87 1HG GLU 87 -13.740 4.438 -8.880 680 H PHE 88 H PHE 88 -13.513 2.033 -6.528 681 HA PHE 88 HA PHE 88 -13.813 0.433 -8.931 682 HB2 PHE 88 2HB PHE 88 -11.608 1.245 -7.175 683 HB3 PHE 88 1HB PHE 88 -11.494 -0.420 -7.732 684 HD1 PHE 88 1HD PHE 88 -11.498 3.096 -8.739 685 HD2 PHE 88 2HD PHE 88 -11.130 -0.934 -10.056 686 HE1 PHE 88 1HE PHE 88 -10.604 3.885 -10.891 687 HE2 PHE 88 2HE PHE 88 -10.234 -0.152 -12.209 688 HZ PHE 88 HZ PHE 88 -9.969 2.260 -12.629 689 H GLY 89 H GLY 89 -14.212 0.094 -5.500 690 HA2 GLY 89 2HA GLY 89 -15.725 -1.968 -5.139 691 HA3 GLY 89 1HA GLY 89 -14.341 -2.838 -5.775 692 H TYR 90 H TYR 90 -14.651 -3.936 -3.656 693 HA TYR 90 HA TYR 90 -13.926 -2.553 -1.264 694 HB2 TYR 90 2HB TYR 90 -14.953 -5.116 -2.030 695 HB3 TYR 90 1HB TYR 90 -13.573 -5.352 -0.977 696 HD1 TYR 90 1HD TYR 90 -16.775 -3.479 -1.228 697 HD2 TYR 90 2HD TYR 90 -13.856 -5.190 1.348 698 HE1 TYR 90 1HE TYR 90 -18.216 -3.010 0.706 699 HE2 TYR 90 2HE TYR 90 -15.290 -4.729 3.290 700 HH TYR 90 HH TYR 90 -17.898 -2.653 3.196 701 H HIS 91 H HIS 91 -11.927 -1.650 -1.395 702 HA HIS 91 HA HIS 91 -9.686 -3.054 -2.518 703 HB2 HIS 91 2HB HIS 91 -9.913 -0.406 -1.085 704 HB3 HIS 91 1HB HIS 91 -8.415 -1.022 -1.769 705 HD1 HIS 91 1HD HIS 91 -11.939 -0.238 -2.976 706 HD2 HIS 91 2HD HIS 91 -8.007 -0.215 -4.316 707 HE1 HIS 91 1HE HIS 91 -12.025 0.731 -5.293 708 HE2 HIS 91 2HE HIS 91 -9.625 0.806 -6.056 709 H VAL 92 H VAL 92 -7.602 -3.111 -1.331 710 HA VAL 92 HA VAL 92 -7.763 -3.568 1.541 711 HB VAL 92 HB VAL 92 -6.706 -5.712 -0.312 712 HG11 VAL 92 1HG1 VAL 92 -7.126 -5.721 2.674 713 HG12 VAL 92 2HG1 VAL 92 -5.571 -5.563 1.858 714 HG13 VAL 92 3HG1 VAL 92 -6.499 -7.053 1.703 715 HG21 VAL 92 3HG2 VAL 92 -9.249 -5.698 1.312 716 HG22 VAL 92 1HG2 VAL 92 -8.629 -7.052 0.365 717 HG23 VAL 92 2HG2 VAL 92 -9.147 -5.572 -0.444 718 H ILE 93 H ILE 93 -5.626 -3.559 2.542 719 HA ILE 93 HA ILE 93 -3.384 -2.993 0.785 720 HB ILE 93 HB ILE 93 -3.280 -0.946 2.765 721 HG12 ILE 93 2HG1 ILE 93 -5.771 -0.813 1.049 722 HG13 ILE 93 1HG1 ILE 93 -5.773 -1.170 2.772 723 HG21 ILE 93 1HG2 ILE 93 -2.048 -0.664 0.806 724 HG22 ILE 93 2HG2 ILE 93 -3.379 0.474 0.614 725 HG23 ILE 93 3HG2 ILE 93 -3.414 -1.075 -0.226 726 HD11 ILE 93 3HD1 ILE 93 -6.328 1.127 2.469 727 HD12 ILE 93 1HD1 ILE 93 -4.915 1.386 1.447 728 HD13 ILE 93 2HD1 ILE 93 -4.709 1.039 3.163 729 H LYS 94 H LYS 94 -1.581 -3.829 1.515 730 HA LYS 94 HA LYS 94 -1.220 -4.210 4.409 731 HB2 LYS 94 2HB LYS 94 -1.774 -6.320 2.910 732 HB3 LYS 94 1HB LYS 94 -0.069 -6.200 2.497 733 HG2 LYS 94 2HG LYS 94 -1.118 -6.381 5.311 734 HG3 LYS 94 1HG LYS 94 -0.554 -7.758 4.362 735 HD2 LYS 94 2HD LYS 94 1.587 -6.259 4.070 736 HD3 LYS 94 1HD LYS 94 0.990 -5.501 5.546 737 HE2 LYS 94 2HE LYS 94 1.480 -8.456 5.200 738 HE3 LYS 94 1HE LYS 94 2.603 -7.334 5.965 739 HZ1 LYS 94 3HZ LYS 94 1.359 -8.398 7.664 740 HZ2 LYS 94 1HZ LYS 94 -0.114 -8.066 6.901 741 HZ3 LYS 94 2HZ LYS 94 0.795 -6.807 7.569 742 H ARG 95 H ARG 95 0.463 -3.019 5.032 743 HA ARG 95 HA ARG 95 2.230 -1.724 3.340 744 HB2 ARG 95 2HB ARG 95 1.726 -1.766 6.079 745 HB3 ARG 95 1HB ARG 95 3.420 -2.209 5.930 746 HG2 ARG 95 2HG ARG 95 3.384 -0.125 4.261 747 HG3 ARG 95 1HG ARG 95 2.067 0.347 5.337 748 HD2 ARG 95 2HD ARG 95 4.325 1.196 6.009 749 HD3 ARG 95 1HD ARG 95 3.492 0.256 7.245 750 HE ARG 95 HE ARG 95 5.136 -1.336 7.106 751 HH11 ARG 95 1HH1 ARG 95 5.402 0.822 4.376 752 HH12 ARG 95 2HH1 ARG 95 6.922 0.178 3.855 753 HH21 ARG 95 1HH2 ARG 95 7.135 -2.185 6.422 754 HH22 ARG 95 2HH2 ARG 95 7.905 -1.530 5.016 755 H LEU 96 H LEU 96 4.116 -2.140 2.459 756 HA LEU 96 HA LEU 96 5.811 -4.269 3.305 757 HB2 LEU 96 2HB LEU 96 5.458 -5.750 1.657 758 HB3 LEU 96 1HB LEU 96 3.876 -5.019 1.588 759 HG LEU 96 HG LEU 96 4.928 -3.465 -0.206 760 HD11 LEU 96 1HD1 LEU 96 6.649 -5.020 -1.487 761 HD12 LEU 96 2HD1 LEU 96 7.010 -5.548 0.158 762 HD13 LEU 96 3HD1 LEU 96 7.174 -3.847 -0.277 763 HD21 LEU 96 3HD2 LEU 96 3.608 -4.656 -1.521 764 HD22 LEU 96 1HD2 LEU 96 3.563 -5.924 -0.297 765 HD23 LEU 96 2HD2 LEU 96 4.784 -5.970 -1.569 766 H GLY 97 H GLY 97 7.718 -3.344 3.251 767 HA2 GLY 97 2HA GLY 97 8.665 -2.015 0.866 768 HA3 GLY 97 1HA GLY 97 8.500 -0.969 2.263 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 16.326 21.187 10.135 2 H2 GLY 1 2HT GLY 1 17.027 21.384 8.609 3 H3 GLY 1 3HT GLY 1 17.928 20.712 9.873 4 HA2 GLY 1 1HA GLY 1 16.570 18.760 9.919 5 HA3 GLY 1 2HA GLY 1 15.487 19.472 8.734 6 HA PRO 2 HA PRO 2 19.229 17.149 6.789 7 HB2 PRO 2 2HB PRO 2 18.183 14.668 6.439 8 HB3 PRO 2 1HB PRO 2 19.111 15.126 7.873 9 HG2 PRO 2 2HG PRO 2 16.144 14.959 7.509 10 HG3 PRO 2 1HG PRO 2 17.135 14.414 8.874 11 HD2 PRO 2 2HD PRO 2 15.751 16.739 8.919 12 HD3 PRO 2 1HD PRO 2 17.296 16.534 9.766 13 H MET 3 H MET 3 19.255 17.667 4.703 14 HA MET 3 HA MET 3 16.772 17.723 3.188 15 HB2 MET 3 2HB MET 3 18.037 18.946 1.509 16 HB3 MET 3 1HB MET 3 18.289 19.660 3.095 17 HG2 MET 3 2HG MET 3 20.427 19.650 2.340 18 HG3 MET 3 1HG MET 3 20.382 18.061 3.102 19 HE1 MET 3 3HE MET 3 22.291 16.456 0.367 20 HE2 MET 3 1HE MET 3 21.388 16.010 1.816 21 HE3 MET 3 2HE MET 3 22.475 17.400 1.846 22 H GLY 4 H GLY 4 16.258 16.371 1.553 23 HA2 GLY 4 2HA GLY 4 17.086 14.994 -0.324 24 HA3 GLY 4 1HA GLY 4 18.286 14.360 0.791 25 H SER 5 H SER 5 14.739 14.782 0.788 26 HA SER 5 HA SER 5 14.225 12.531 2.391 27 HB2 SER 5 2HB SER 5 12.260 13.554 0.355 28 HB3 SER 5 1HB SER 5 11.949 12.917 1.970 29 HG SER 5 HG SER 5 13.176 14.848 2.697 30 H MET 6 H MET 6 12.959 10.594 1.664 31 HA MET 6 HA MET 6 13.224 9.728 -1.052 32 HB2 MET 6 2HB MET 6 14.688 7.761 -0.499 33 HB3 MET 6 1HB MET 6 15.501 9.319 -0.477 34 HG2 MET 6 2HG MET 6 16.306 8.656 1.487 35 HG3 MET 6 1HG MET 6 14.715 9.078 2.115 36 HE1 MET 6 3HE MET 6 16.390 6.980 3.853 37 HE2 MET 6 1HE MET 6 15.022 5.916 4.180 38 HE3 MET 6 2HE MET 6 14.786 7.664 4.116 39 H ALA 7 H ALA 7 12.759 8.722 2.320 40 HA ALA 7 HA ALA 7 10.924 6.623 1.460 41 HB1 ALA 7 1HB ALA 7 12.736 6.489 3.357 42 HB2 ALA 7 2HB ALA 7 11.192 5.649 3.511 43 HB3 ALA 7 3HB ALA 7 11.445 7.189 4.335 44 H ASP 8 H ASP 8 10.405 9.671 1.450 45 HA ASP 8 HA ASP 8 8.470 10.322 3.343 46 HB2 ASP 8 2HB ASP 8 9.577 11.556 1.116 47 HB3 ASP 8 1HB ASP 8 7.873 11.405 0.698 48 H LYS 9 H LYS 9 8.301 8.266 0.571 49 HA LYS 9 HA LYS 9 5.436 8.200 0.432 50 HB2 LYS 9 2HB LYS 9 7.650 6.722 -0.941 51 HB3 LYS 9 1HB LYS 9 5.962 6.309 -1.187 52 HG2 LYS 9 2HG LYS 9 6.760 7.726 -2.956 53 HG3 LYS 9 1HG LYS 9 5.538 8.573 -2.009 54 HD2 LYS 9 2HD LYS 9 7.305 9.754 -0.811 55 HD3 LYS 9 1HD LYS 9 8.525 8.900 -1.754 56 HE2 LYS 9 2HE LYS 9 8.256 10.241 -3.513 57 HE3 LYS 9 1HE LYS 9 6.502 10.190 -3.394 58 HZ1 LYS 9 3HZ LYS 9 8.146 12.308 -2.760 59 HZ2 LYS 9 1HZ LYS 9 7.612 11.712 -1.270 60 HZ3 LYS 9 2HZ LYS 9 6.490 12.182 -2.446 61 H ILE 10 H ILE 10 4.431 5.980 0.263 62 HA ILE 10 HA ILE 10 5.248 4.392 2.607 63 HB ILE 10 HB ILE 10 2.539 4.019 1.440 64 HG12 ILE 10 2HG1 ILE 10 3.125 6.297 3.343 65 HG13 ILE 10 1HG1 ILE 10 2.900 6.511 1.610 66 HG21 ILE 10 1HG2 ILE 10 3.198 4.234 4.341 67 HG22 ILE 10 2HG2 ILE 10 3.674 2.801 3.428 68 HG23 ILE 10 3HG2 ILE 10 1.973 3.258 3.526 69 HD11 ILE 10 3HD1 ILE 10 0.909 5.647 3.663 70 HD12 ILE 10 1HD1 ILE 10 0.655 5.359 1.944 71 HD13 ILE 10 2HD1 ILE 10 0.828 7.009 2.543 72 H LYS 11 H LYS 11 5.630 2.316 2.338 73 HA LYS 11 HA LYS 11 5.407 1.261 -0.393 74 HB2 LYS 11 2HB LYS 11 7.225 0.163 1.751 75 HB3 LYS 11 1HB LYS 11 7.320 -0.062 0.008 76 HG2 LYS 11 2HG LYS 11 8.405 1.880 -0.338 77 HG3 LYS 11 1HG LYS 11 7.527 2.747 0.933 78 HD2 LYS 11 2HD LYS 11 9.590 2.627 1.910 79 HD3 LYS 11 1HD LYS 11 8.932 1.089 2.475 80 HE2 LYS 11 2HE LYS 11 10.492 -0.055 1.375 81 HE3 LYS 11 1HE LYS 11 10.125 0.787 -0.130 82 HZ1 LYS 11 3HZ LYS 11 12.006 1.643 1.999 83 HZ2 LYS 11 1HZ LYS 11 11.533 2.644 0.719 84 HZ3 LYS 11 2HZ LYS 11 12.380 1.214 0.407 85 H CYS 12 H CYS 12 3.317 0.504 -0.237 86 HA CYS 12 HA CYS 12 3.004 -1.794 1.542 87 HB2 CYS 12 2HB CYS 12 0.750 0.106 0.952 88 HB3 CYS 12 1HB CYS 12 0.770 -1.205 2.115 89 HG CYS 12 HG CYS 12 1.162 1.319 3.097 90 H SER 13 H SER 13 0.785 -2.929 0.825 91 HA SER 13 HA SER 13 0.883 -3.251 -2.097 92 HB2 SER 13 2HB SER 13 1.934 -5.209 -1.297 93 HB3 SER 13 1HB SER 13 0.818 -5.353 0.061 94 HG SER 13 HG SER 13 0.487 -6.079 -2.610 95 H HIS 14 H HIS 14 -1.161 -4.243 -2.988 96 HA HIS 14 HA HIS 14 -3.486 -3.715 -1.291 97 HB2 HIS 14 2HB HIS 14 -4.570 -2.321 -2.894 98 HB3 HIS 14 1HB HIS 14 -2.955 -1.669 -2.645 99 HD1 HIS 14 1HD HIS 14 -2.134 -4.320 -4.686 100 HD2 HIS 14 2HD HIS 14 -4.238 -0.808 -5.401 101 HE1 HIS 14 1HE HIS 14 -2.012 -3.957 -7.171 102 HE2 HIS 14 2HE HIS 14 -3.209 -1.775 -7.566 103 H ILE 15 H ILE 15 -5.456 -4.604 -1.994 104 HA ILE 15 HA ILE 15 -5.376 -6.579 -4.139 105 HB ILE 15 HB ILE 15 -5.885 -7.232 -1.239 106 HG12 ILE 15 2HG1 ILE 15 -4.470 -9.283 -2.172 107 HG13 ILE 15 1HG1 ILE 15 -3.983 -8.090 -3.367 108 HG21 ILE 15 1HG2 ILE 15 -6.428 -9.557 -2.628 109 HG22 ILE 15 2HG2 ILE 15 -7.271 -8.317 -3.554 110 HG23 ILE 15 3HG2 ILE 15 -7.610 -8.516 -1.837 111 HD11 ILE 15 3HD1 ILE 15 -2.370 -7.674 -1.867 112 HD12 ILE 15 1HD1 ILE 15 -3.315 -8.295 -0.514 113 HD13 ILE 15 2HD1 ILE 15 -3.615 -6.667 -1.125 114 H LEU 16 H LEU 16 -7.358 -6.844 -5.133 115 HA LEU 16 HA LEU 16 -9.616 -5.386 -3.934 116 HB2 LEU 16 2HB LEU 16 -8.225 -4.813 -6.342 117 HB3 LEU 16 1HB LEU 16 -9.832 -5.356 -6.772 118 HG LEU 16 HG LEU 16 -9.394 -3.189 -4.733 119 HD11 LEU 16 1HD1 LEU 16 -8.402 -2.145 -6.517 120 HD12 LEU 16 2HD1 LEU 16 -10.094 -1.737 -6.800 121 HD13 LEU 16 3HD1 LEU 16 -9.338 -3.048 -7.708 122 HD21 LEU 16 3HD2 LEU 16 -11.583 -4.159 -4.685 123 HD22 LEU 16 1HD2 LEU 16 -11.728 -4.042 -6.439 124 HD23 LEU 16 2HD2 LEU 16 -11.696 -2.576 -5.456 125 H VAL 17 H VAL 17 -11.532 -6.363 -3.897 126 HA VAL 17 HA VAL 17 -12.211 -8.467 -5.760 127 HB VAL 17 HB VAL 17 -12.845 -10.080 -4.006 128 HG11 VAL 17 1HG1 VAL 17 -10.840 -11.139 -4.006 129 HG12 VAL 17 2HG1 VAL 17 -9.938 -9.680 -3.590 130 HG13 VAL 17 3HG1 VAL 17 -10.521 -9.918 -5.237 131 HG21 VAL 17 3HG2 VAL 17 -11.929 -7.916 -2.286 132 HG22 VAL 17 1HG2 VAL 17 -11.280 -9.493 -1.844 133 HG23 VAL 17 2HG2 VAL 17 -13.023 -9.258 -1.947 134 H LYS 18 H LYS 18 -14.362 -8.498 -6.141 135 HA LYS 18 HA LYS 18 -16.013 -6.505 -4.978 136 HB2 LYS 18 2HB LYS 18 -16.853 -8.945 -6.566 137 HB3 LYS 18 1HB LYS 18 -17.820 -7.506 -6.280 138 HG2 LYS 18 2HG LYS 18 -16.730 -6.288 -7.842 139 HG3 LYS 18 1HG LYS 18 -15.190 -7.099 -7.559 140 HD2 LYS 18 2HD LYS 18 -16.483 -9.155 -8.597 141 HD3 LYS 18 1HD LYS 18 -17.455 -7.876 -9.326 142 HE2 LYS 18 2HE LYS 18 -15.772 -7.178 -10.671 143 HE3 LYS 18 1HE LYS 18 -14.525 -7.541 -9.479 144 HZ1 LYS 18 3HZ LYS 18 -14.331 -9.005 -11.366 145 HZ2 LYS 18 1HZ LYS 18 -15.935 -9.517 -11.191 146 HZ3 LYS 18 2HZ LYS 18 -14.790 -9.901 -10.008 147 H LYS 19 H LYS 19 -15.071 -9.617 -4.005 148 HA LYS 19 HA LYS 19 -17.335 -10.378 -2.482 149 HB2 LYS 19 2HB LYS 19 -14.986 -11.522 -3.370 150 HB3 LYS 19 1HB LYS 19 -14.716 -11.362 -1.655 151 HG2 LYS 19 2HG LYS 19 -16.844 -12.894 -3.069 152 HG3 LYS 19 1HG LYS 19 -15.599 -13.513 -1.991 153 HD2 LYS 19 2HD LYS 19 -16.663 -12.604 -0.082 154 HD3 LYS 19 1HD LYS 19 -17.740 -11.609 -1.062 155 HE2 LYS 19 2HE LYS 19 -19.172 -13.309 -1.447 156 HE3 LYS 19 1HE LYS 19 -17.883 -14.507 -1.564 157 HZ1 LYS 19 3HZ LYS 19 -19.150 -13.430 0.886 158 HZ2 LYS 19 1HZ LYS 19 -17.690 -14.282 0.923 159 HZ3 LYS 19 2HZ LYS 19 -19.094 -15.036 0.360 160 H GLN 20 H GLN 20 -17.678 -8.286 -1.412 161 HA GLN 20 HA GLN 20 -15.961 -6.896 0.169 162 HB2 GLN 20 2HB GLN 20 -18.807 -7.417 1.005 163 HB3 GLN 20 1HB GLN 20 -17.841 -5.978 1.303 164 HG2 GLN 20 2HG GLN 20 -18.750 -5.075 -0.497 165 HG3 GLN 20 1HG GLN 20 -17.892 -6.266 -1.472 166 HE21 GLN 20 1HE2 GLN 20 -19.065 -7.585 -2.674 167 HE22 GLN 20 2HE2 GLN 20 -20.759 -7.877 -2.499 168 H GLY 21 H GLY 21 -17.708 -9.836 1.133 169 HA2 GLY 21 2HA GLY 21 -16.895 -9.689 3.848 170 HA3 GLY 21 1HA GLY 21 -17.514 -11.121 3.044 171 H GLU 22 H GLU 22 -15.419 -11.039 1.002 172 HA GLU 22 HA GLU 22 -13.492 -12.628 2.332 173 HB2 GLU 22 2HB GLU 22 -12.760 -13.121 0.248 174 HB3 GLU 22 1HB GLU 22 -14.290 -12.409 -0.217 175 HG2 GLU 22 2HG GLU 22 -12.823 -11.411 -1.658 176 HG3 GLU 22 1HG GLU 22 -12.918 -10.231 -0.352 177 H ALA 23 H ALA 23 -13.482 -9.346 1.086 178 HA ALA 23 HA ALA 23 -10.878 -8.574 1.395 179 HB1 ALA 23 1HB ALA 23 -12.500 -7.076 0.451 180 HB2 ALA 23 2HB ALA 23 -11.754 -6.286 1.841 181 HB3 ALA 23 3HB ALA 23 -13.369 -6.978 1.984 182 H LEU 24 H LEU 24 -13.361 -8.877 3.878 183 HA LEU 24 HA LEU 24 -11.770 -7.837 6.012 184 HB2 LEU 24 2HB LEU 24 -14.408 -8.246 5.708 185 HB3 LEU 24 1HB LEU 24 -14.003 -9.701 6.596 186 HG LEU 24 HG LEU 24 -14.708 -8.092 8.192 187 HD11 LEU 24 1HD1 LEU 24 -11.720 -7.909 8.353 188 HD12 LEU 24 2HD1 LEU 24 -12.573 -9.429 8.621 189 HD13 LEU 24 3HD1 LEU 24 -12.896 -8.043 9.661 190 HD21 LEU 24 3HD2 LEU 24 -12.752 -6.201 6.895 191 HD22 LEU 24 1HD2 LEU 24 -13.638 -5.874 8.384 192 HD23 LEU 24 2HD2 LEU 24 -14.512 -6.086 6.867 193 H ALA 25 H ALA 25 -12.232 -10.977 4.579 194 HA ALA 25 HA ALA 25 -11.065 -12.432 6.768 195 HB1 ALA 25 1HB ALA 25 -12.537 -13.750 5.582 196 HB2 ALA 25 2HB ALA 25 -10.990 -14.260 4.906 197 HB3 ALA 25 3HB ALA 25 -12.007 -13.123 4.020 198 H VAL 26 H VAL 26 -9.990 -11.700 3.442 199 HA VAL 26 HA VAL 26 -7.496 -12.825 3.510 200 HB VAL 26 HB VAL 26 -6.798 -11.317 1.777 201 HG11 VAL 26 1HG1 VAL 26 -8.649 -11.583 0.195 202 HG12 VAL 26 2HG1 VAL 26 -9.730 -11.966 1.534 203 HG13 VAL 26 3HG1 VAL 26 -8.384 -13.040 1.153 204 HG21 VAL 26 3HG2 VAL 26 -8.228 -9.381 1.128 205 HG22 VAL 26 1HG2 VAL 26 -7.434 -9.200 2.693 206 HG23 VAL 26 2HG2 VAL 26 -9.146 -9.623 2.614 207 H GLN 27 H GLN 27 -8.470 -9.742 4.947 208 HA GLN 27 HA GLN 27 -5.887 -8.749 5.389 209 HB2 GLN 27 2HB GLN 27 -6.848 -7.268 7.024 210 HB3 GLN 27 1HB GLN 27 -7.973 -7.416 5.682 211 HG2 GLN 27 2HG GLN 27 -9.435 -8.756 6.923 212 HG3 GLN 27 1HG GLN 27 -8.245 -9.039 8.188 213 HE21 GLN 27 1HE2 GLN 27 -9.130 -6.015 6.603 214 HE22 GLN 27 2HE2 GLN 27 -9.691 -5.223 8.032 215 H GLU 28 H GLU 28 -7.950 -10.781 7.430 216 HA GLU 28 HA GLU 28 -5.978 -11.094 9.478 217 HB2 GLU 28 2HB GLU 28 -7.574 -12.278 10.621 218 HB3 GLU 28 1HB GLU 28 -8.615 -11.394 9.515 219 HG2 GLU 28 2HG GLU 28 -9.497 -13.436 9.194 220 HG3 GLU 28 1HG GLU 28 -8.179 -13.573 8.032 221 H ARG 29 H ARG 29 -6.812 -12.720 6.541 222 HA ARG 29 HA ARG 29 -5.365 -15.140 7.064 223 HB2 ARG 29 2HB ARG 29 -7.378 -14.584 5.438 224 HB3 ARG 29 1HB ARG 29 -6.079 -14.241 4.308 225 HG2 ARG 29 2HG ARG 29 -6.912 -16.508 4.065 226 HG3 ARG 29 1HG ARG 29 -5.222 -16.499 4.581 227 HD2 ARG 29 2HD ARG 29 -7.093 -16.515 6.813 228 HD3 ARG 29 1HD ARG 29 -7.280 -17.913 5.757 229 HE ARG 29 HE ARG 29 -5.062 -17.331 7.494 230 HH11 ARG 29 1HH1 ARG 29 -6.100 -19.075 4.655 231 HH12 ARG 29 2HH1 ARG 29 -4.848 -20.266 4.777 232 HH21 ARG 29 1HH2 ARG 29 -3.415 -18.896 7.656 233 HH22 ARG 29 2HH2 ARG 29 -3.324 -20.165 6.481 234 H LEU 30 H LEU 30 -4.738 -12.131 5.374 235 HA LEU 30 HA LEU 30 -2.497 -12.769 3.904 236 HB2 LEU 30 2HB LEU 30 -3.817 -10.600 3.973 237 HB3 LEU 30 1HB LEU 30 -2.860 -10.160 5.369 238 HG LEU 30 HG LEU 30 -1.930 -9.086 3.445 239 HD11 LEU 30 1HD1 LEU 30 -0.427 -10.288 5.176 240 HD12 LEU 30 2HD1 LEU 30 0.293 -9.665 3.690 241 HD13 LEU 30 3HD1 LEU 30 -0.065 -11.385 3.844 242 HD21 LEU 30 3HD2 LEU 30 -1.788 -9.973 1.395 243 HD22 LEU 30 1HD2 LEU 30 -2.874 -11.213 2.020 244 HD23 LEU 30 2HD2 LEU 30 -1.133 -11.497 1.994 245 H LYS 31 H LYS 31 -2.492 -11.359 7.187 246 HA LYS 31 HA LYS 31 0.306 -11.772 7.534 247 HB2 LYS 31 2HB LYS 31 -0.030 -11.006 9.793 248 HB3 LYS 31 1HB LYS 31 -0.995 -10.013 8.711 249 HG2 LYS 31 2HG LYS 31 -2.447 -12.313 9.746 250 HG3 LYS 31 1HG LYS 31 -1.877 -11.220 11.008 251 HD2 LYS 31 2HD LYS 31 -2.886 -9.540 9.036 252 HD3 LYS 31 1HD LYS 31 -4.023 -10.887 9.092 253 HE2 LYS 31 2HE LYS 31 -4.488 -10.537 11.373 254 HE3 LYS 31 1HE LYS 31 -3.092 -9.480 11.576 255 HZ1 LYS 31 3HZ LYS 31 -4.319 -8.025 9.849 256 HZ2 LYS 31 1HZ LYS 31 -4.826 -7.996 11.463 257 HZ3 LYS 31 2HZ LYS 31 -5.689 -8.898 10.322 258 H ALA 32 H ALA 32 -2.280 -13.908 7.608 259 HA ALA 32 HA ALA 32 -1.686 -15.593 9.752 260 HB1 ALA 32 1HB ALA 32 -3.728 -15.610 8.232 261 HB2 ALA 32 2HB ALA 32 -3.094 -17.178 8.730 262 HB3 ALA 32 3HB ALA 32 -2.751 -16.561 7.114 263 H GLY 33 H GLY 33 -0.085 -15.142 6.729 264 HA2 GLY 33 2HA GLY 33 2.294 -16.209 7.196 265 HA3 GLY 33 1HA GLY 33 1.342 -17.652 6.895 266 H GLU 34 H GLU 34 -0.325 -15.922 4.984 267 HA GLU 34 HA GLU 34 1.225 -16.581 2.642 268 HB2 GLU 34 2HB GLU 34 -0.751 -15.844 1.387 269 HB3 GLU 34 1HB GLU 34 -1.173 -16.996 2.644 270 HG2 GLU 34 2HG GLU 34 -1.803 -15.038 4.084 271 HG3 GLU 34 1HG GLU 34 -1.599 -14.024 2.657 272 H LYS 35 H LYS 35 1.640 -15.064 0.912 273 HA LYS 35 HA LYS 35 2.394 -12.437 1.978 274 HB2 LYS 35 2HB LYS 35 4.142 -12.372 0.458 275 HB3 LYS 35 1HB LYS 35 4.054 -14.085 0.835 276 HG2 LYS 35 2HG LYS 35 2.677 -14.387 -1.229 277 HG3 LYS 35 1HG LYS 35 3.014 -12.699 -1.624 278 HD2 LYS 35 2HD LYS 35 5.372 -13.141 -1.739 279 HD3 LYS 35 1HD LYS 35 5.140 -14.786 -1.146 280 HE2 LYS 35 2HE LYS 35 3.511 -14.834 -3.283 281 HE3 LYS 35 1HE LYS 35 4.696 -13.653 -3.838 282 HZ1 LYS 35 3HZ LYS 35 6.331 -15.196 -3.930 283 HZ2 LYS 35 1HZ LYS 35 5.021 -16.239 -4.172 284 HZ3 LYS 35 2HZ LYS 35 5.723 -16.107 -2.640 285 H PHE 36 H PHE 36 1.944 -10.536 0.883 286 HA PHE 36 HA PHE 36 -0.579 -10.210 -0.168 287 HB2 PHE 36 2HB PHE 36 0.572 -8.102 -1.290 288 HB3 PHE 36 1HB PHE 36 0.316 -8.189 0.447 289 HD1 PHE 36 1HD PHE 36 2.850 -8.847 -2.190 290 HD2 PHE 36 2HD PHE 36 2.110 -7.941 1.901 291 HE1 PHE 36 1HE PHE 36 5.261 -8.515 -1.833 292 HE2 PHE 36 2HE PHE 36 4.520 -7.605 2.266 293 HZ PHE 36 HZ PHE 36 6.099 -7.892 0.398 294 H GLY 37 H GLY 37 2.442 -10.835 -1.880 295 HA2 GLY 37 2HA GLY 37 1.571 -10.413 -4.497 296 HA3 GLY 37 1HA GLY 37 2.858 -11.514 -4.029 297 H LYS 38 H LYS 38 1.153 -13.213 -2.405 298 HA LYS 38 HA LYS 38 0.306 -15.011 -4.412 299 HB2 LYS 38 2HB LYS 38 0.204 -14.911 -1.447 300 HB3 LYS 38 1HB LYS 38 -0.928 -15.997 -2.241 301 HG2 LYS 38 2HG LYS 38 1.945 -16.083 -3.016 302 HG3 LYS 38 1HG LYS 38 1.430 -16.833 -1.503 303 HD2 LYS 38 2HD LYS 38 0.141 -17.410 -4.164 304 HD3 LYS 38 1HD LYS 38 1.479 -18.358 -3.508 305 HE2 LYS 38 2HE LYS 38 -0.337 -18.215 -1.418 306 HE3 LYS 38 1HE LYS 38 -1.348 -18.422 -2.848 307 HZ1 LYS 38 3HZ LYS 38 -0.872 -20.579 -2.260 308 HZ2 LYS 38 1HZ LYS 38 0.703 -20.226 -1.752 309 HZ3 LYS 38 2HZ LYS 38 0.338 -20.281 -3.403 310 H LEU 39 H LEU 39 -1.583 -13.115 -2.061 311 HA LEU 39 HA LEU 39 -4.122 -13.805 -2.950 312 HB2 LEU 39 2HB LEU 39 -3.192 -11.201 -1.751 313 HB3 LEU 39 1HB LEU 39 -4.867 -11.660 -1.947 314 HG LEU 39 HG LEU 39 -4.364 -12.056 0.319 315 HD11 LEU 39 1HD1 LEU 39 -5.654 -13.845 -0.517 316 HD12 LEU 39 2HD1 LEU 39 -4.420 -14.556 0.519 317 HD13 LEU 39 3HD1 LEU 39 -4.246 -14.625 -1.234 318 HD21 LEU 39 3HD2 LEU 39 -2.435 -12.973 1.194 319 HD22 LEU 39 1HD2 LEU 39 -1.823 -12.063 -0.187 320 HD23 LEU 39 2HD2 LEU 39 -2.028 -13.810 -0.303 321 H ALA 40 H ALA 40 -1.830 -11.464 -4.175 322 HA ALA 40 HA ALA 40 -3.421 -9.852 -5.741 323 HB1 ALA 40 1HB ALA 40 -1.028 -9.498 -5.427 324 HB2 ALA 40 2HB ALA 40 -1.457 -9.486 -7.137 325 HB3 ALA 40 3HB ALA 40 -0.684 -10.906 -6.434 326 H LYS 41 H LYS 41 -1.874 -12.903 -6.695 327 HA LYS 41 HA LYS 41 -3.424 -13.009 -9.141 328 HB2 LYS 41 2HB LYS 41 -2.162 -15.123 -9.530 329 HB3 LYS 41 1HB LYS 41 -1.133 -13.716 -9.299 330 HG2 LYS 41 2HG LYS 41 -0.403 -14.424 -7.225 331 HG3 LYS 41 1HG LYS 41 -1.797 -15.479 -6.982 332 HD2 LYS 41 2HD LYS 41 -0.224 -17.054 -7.482 333 HD3 LYS 41 1HD LYS 41 -0.787 -16.687 -9.113 334 HE2 LYS 41 2HE LYS 41 1.443 -15.073 -7.987 335 HE3 LYS 41 1HE LYS 41 1.785 -16.723 -8.507 336 HZ1 LYS 41 3HZ LYS 41 2.191 -15.311 -10.340 337 HZ2 LYS 41 1HZ LYS 41 0.717 -14.499 -10.151 338 HZ3 LYS 41 2HZ LYS 41 0.736 -16.107 -10.674 339 H GLU 42 H GLU 42 -3.544 -14.274 -5.926 340 HA GLU 42 HA GLU 42 -5.061 -16.599 -6.452 341 HB2 GLU 42 2HB GLU 42 -3.929 -15.284 -4.200 342 HB3 GLU 42 1HB GLU 42 -5.593 -15.669 -3.822 343 HG2 GLU 42 2HG GLU 42 -4.861 -18.001 -4.878 344 HG3 GLU 42 1HG GLU 42 -3.290 -17.447 -4.302 345 H LEU 43 H LEU 43 -6.277 -13.691 -4.703 346 HA LEU 43 HA LEU 43 -8.865 -14.220 -6.012 347 HB2 LEU 43 2HB LEU 43 -9.865 -13.098 -3.938 348 HB3 LEU 43 1HB LEU 43 -9.317 -14.756 -3.818 349 HG LEU 43 HG LEU 43 -8.773 -13.261 -1.865 350 HD11 LEU 43 1HD1 LEU 43 -7.345 -15.324 -3.048 351 HD12 LEU 43 2HD1 LEU 43 -7.195 -14.738 -1.393 352 HD13 LEU 43 3HD1 LEU 43 -6.130 -14.109 -2.651 353 HD21 LEU 43 3HD2 LEU 43 -8.100 -11.351 -3.462 354 HD22 LEU 43 1HD2 LEU 43 -6.548 -12.181 -3.550 355 HD23 LEU 43 2HD2 LEU 43 -7.152 -11.607 -1.998 356 H SER 44 H SER 44 -6.407 -11.924 -5.605 357 HA SER 44 HA SER 44 -7.901 -9.541 -5.654 358 HB2 SER 44 2HB SER 44 -5.141 -10.324 -5.924 359 HB3 SER 44 1HB SER 44 -5.528 -9.055 -7.074 360 HG SER 44 HG SER 44 -4.883 -8.168 -5.101 361 H ILE 45 H ILE 45 -8.931 -8.464 -7.211 362 HA ILE 45 HA ILE 45 -8.954 -9.617 -9.909 363 HB ILE 45 HB ILE 45 -10.969 -8.126 -10.228 364 HG12 ILE 45 2HG1 ILE 45 -11.439 -7.969 -7.342 365 HG13 ILE 45 1HG1 ILE 45 -10.105 -6.962 -7.886 366 HG21 ILE 45 1HG2 ILE 45 -12.278 -9.608 -8.396 367 HG22 ILE 45 2HG2 ILE 45 -10.757 -10.497 -8.497 368 HG23 ILE 45 3HG2 ILE 45 -11.721 -10.230 -9.949 369 HD11 ILE 45 3HD1 ILE 45 -11.613 -5.434 -8.405 370 HD12 ILE 45 1HD1 ILE 45 -12.941 -6.570 -8.153 371 HD13 ILE 45 2HD1 ILE 45 -12.131 -6.492 -9.720 372 H ASP 46 H ASP 46 -7.553 -7.104 -8.198 373 HA ASP 46 HA ASP 46 -7.675 -4.853 -9.726 374 HB2 ASP 46 2HB ASP 46 -5.428 -4.307 -8.927 375 HB3 ASP 46 1HB ASP 46 -6.393 -5.020 -7.639 376 H GLY 47 H GLY 47 -6.945 -4.152 -11.644 377 HA2 GLY 47 2HA GLY 47 -6.287 -5.989 -13.660 378 HA3 GLY 47 1HA GLY 47 -6.153 -4.242 -13.792 379 H GLY 48 H GLY 48 -4.357 -5.311 -15.184 380 HA2 GLY 48 2HA GLY 48 -2.133 -6.464 -14.923 381 HA3 GLY 48 1HA GLY 48 -2.024 -4.771 -15.350 382 H SER 49 H SER 49 -2.581 -3.630 -12.800 383 HA SER 49 HA SER 49 -0.073 -3.527 -11.666 384 HB2 SER 49 2HB SER 49 -1.806 -1.876 -11.179 385 HB3 SER 49 1HB SER 49 -2.735 -3.085 -10.293 386 HG SER 49 HG SER 49 -1.005 -1.497 -9.265 387 H ALA 50 H ALA 50 -2.463 -6.002 -11.288 388 HA ALA 50 HA ALA 50 -1.531 -7.047 -8.802 389 HB1 ALA 50 1HB ALA 50 -2.844 -8.911 -10.662 390 HB2 ALA 50 2HB ALA 50 -3.760 -7.459 -10.267 391 HB3 ALA 50 3HB ALA 50 -3.214 -8.533 -8.980 392 H LYS 51 H LYS 51 -0.444 -7.258 -12.054 393 HA LYS 51 HA LYS 51 0.865 -9.759 -11.937 394 HB2 LYS 51 2HB LYS 51 0.598 -7.578 -13.803 395 HB3 LYS 51 1HB LYS 51 2.252 -8.160 -13.768 396 HG2 LYS 51 2HG LYS 51 1.726 -10.038 -14.843 397 HG3 LYS 51 1HG LYS 51 0.304 -10.314 -13.834 398 HD2 LYS 51 2HD LYS 51 -0.260 -8.092 -15.490 399 HD3 LYS 51 1HD LYS 51 0.442 -9.344 -16.517 400 HE2 LYS 51 2HE LYS 51 -1.357 -10.671 -16.325 401 HE3 LYS 51 1HE LYS 51 -1.531 -10.344 -14.601 402 HZ1 LYS 51 3HZ LYS 51 -2.235 -8.216 -16.485 403 HZ2 LYS 51 1HZ LYS 51 -2.906 -8.589 -14.976 404 HZ3 LYS 51 2HZ LYS 51 -3.301 -9.521 -16.331 405 H ARG 52 H ARG 52 1.599 -6.828 -10.420 406 HA ARG 52 HA ARG 52 4.443 -7.527 -10.208 407 HB2 ARG 52 2HB ARG 52 4.505 -5.178 -9.064 408 HB3 ARG 52 1HB ARG 52 4.434 -5.300 -10.814 409 HG2 ARG 52 2HG ARG 52 2.004 -4.933 -10.717 410 HG3 ARG 52 1HG ARG 52 2.125 -4.742 -8.966 411 HD2 ARG 52 2HD ARG 52 2.078 -2.568 -10.014 412 HD3 ARG 52 1HD ARG 52 3.671 -2.850 -9.312 413 HE ARG 52 HE ARG 52 3.536 -3.592 -12.071 414 HH11 ARG 52 1HH1 ARG 52 3.956 -0.900 -9.889 415 HH12 ARG 52 2HH1 ARG 52 4.840 0.051 -11.036 416 HH21 ARG 52 1HH2 ARG 52 4.699 -2.343 -13.578 417 HH22 ARG 52 2HH2 ARG 52 5.262 -0.767 -13.130 418 H ASP 53 H ASP 53 2.168 -8.813 -8.807 419 HA ASP 53 HA ASP 53 1.729 -9.733 -6.796 420 HB2 ASP 53 2HB ASP 53 3.475 -10.139 -5.333 421 HB3 ASP 53 1HB ASP 53 4.341 -9.793 -6.821 422 H GLY 54 H GLY 54 1.052 -6.878 -7.485 423 HA2 GLY 54 2HA GLY 54 -0.193 -5.221 -6.499 424 HA3 GLY 54 1HA GLY 54 -0.350 -6.281 -5.107 425 H SER 55 H SER 55 2.857 -5.552 -6.073 426 HA SER 55 HA SER 55 3.444 -4.300 -3.597 427 HB2 SER 55 2HB SER 55 4.994 -4.767 -6.130 428 HB3 SER 55 1HB SER 55 5.665 -3.770 -4.839 429 HG SER 55 HG SER 55 5.796 -5.491 -3.548 430 H LEU 56 H LEU 56 2.026 -2.517 -3.481 431 HA LEU 56 HA LEU 56 1.734 -0.493 -5.355 432 HB2 LEU 56 2HB LEU 56 1.637 -0.345 -2.345 433 HB3 LEU 56 1HB LEU 56 1.141 0.957 -3.387 434 HG LEU 56 HG LEU 56 -0.162 -1.728 -3.027 435 HD11 LEU 56 1HD1 LEU 56 -0.752 1.068 -2.307 436 HD12 LEU 56 2HD1 LEU 56 -1.192 -0.435 -1.498 437 HD13 LEU 56 3HD1 LEU 56 -2.113 0.115 -2.896 438 HD21 LEU 56 3HD2 LEU 56 -1.734 -0.310 -4.807 439 HD22 LEU 56 1HD2 LEU 56 -0.730 -1.711 -5.183 440 HD23 LEU 56 2HD2 LEU 56 -0.099 -0.083 -5.418 441 H GLY 57 H GLY 57 4.389 -1.194 -3.257 442 HA2 GLY 57 2HA GLY 57 6.451 -0.223 -3.014 443 HA3 GLY 57 1HA GLY 57 6.168 0.513 -4.582 444 H TYR 58 H TYR 58 7.447 2.277 -3.545 445 HA TYR 58 HA TYR 58 6.360 3.762 -1.396 446 HB2 TYR 58 2HB TYR 58 7.973 5.368 -3.236 447 HB3 TYR 58 1HB TYR 58 8.207 5.039 -1.530 448 HD1 TYR 58 1HD TYR 58 8.917 3.843 -4.941 449 HD2 TYR 58 2HD TYR 58 9.695 3.309 -0.793 450 HE1 TYR 58 1HE TYR 58 10.810 2.372 -5.491 451 HE2 TYR 58 2HE TYR 58 11.590 1.837 -1.331 452 HH TYR 58 HH TYR 58 12.410 0.470 -3.117 453 H PHE 59 H PHE 59 4.492 4.770 -1.429 454 HA PHE 59 HA PHE 59 3.792 6.334 -3.823 455 HB2 PHE 59 2HB PHE 59 2.071 4.706 -2.009 456 HB3 PHE 59 1HB PHE 59 1.397 6.150 -2.739 457 HD1 PHE 59 1HD PHE 59 2.603 6.142 -5.391 458 HD2 PHE 59 2HD PHE 59 1.052 2.920 -3.084 459 HE1 PHE 59 1HE PHE 59 2.128 4.897 -7.458 460 HE2 PHE 59 2HE PHE 59 0.574 1.671 -5.148 461 HZ PHE 59 HZ PHE 59 1.112 2.658 -7.338 462 H GLY 60 H GLY 60 2.684 8.329 -3.382 463 HA2 GLY 60 2HA GLY 60 3.319 9.375 -0.695 464 HA3 GLY 60 1HA GLY 60 3.610 10.306 -2.150 465 H ARG 61 H ARG 61 2.231 11.786 -0.687 466 HA ARG 61 HA ARG 61 -0.582 11.229 -0.608 467 HB2 ARG 61 2HB ARG 61 -0.708 13.619 0.221 468 HB3 ARG 61 1HB ARG 61 0.253 12.520 1.201 469 HG2 ARG 61 2HG ARG 61 1.751 13.963 -0.869 470 HG3 ARG 61 1HG ARG 61 1.061 14.971 0.403 471 HD2 ARG 61 2HD ARG 61 2.103 12.931 1.858 472 HD3 ARG 61 1HD ARG 61 3.244 13.006 0.515 473 HE ARG 61 HE ARG 61 4.014 15.011 1.319 474 HH11 ARG 61 1HH1 ARG 61 1.003 14.229 2.904 475 HH12 ARG 61 2HH1 ARG 61 1.135 15.512 4.059 476 HH21 ARG 61 1HH2 ARG 61 4.187 16.699 2.836 477 HH22 ARG 61 2HH2 ARG 61 2.940 16.915 4.020 478 H GLY 62 H GLY 62 -0.888 10.879 -2.884 479 HA2 GLY 62 2HA GLY 62 -2.259 12.617 -4.289 480 HA3 GLY 62 1HA GLY 62 -0.650 13.243 -4.585 481 H LYS 63 H LYS 63 -1.542 9.833 -4.305 482 HA LYS 63 HA LYS 63 -1.129 9.514 -7.192 483 HB2 LYS 63 2HB LYS 63 0.436 8.275 -4.983 484 HB3 LYS 63 1HB LYS 63 0.076 7.279 -6.387 485 HG2 LYS 63 2HG LYS 63 0.979 9.699 -7.432 486 HG3 LYS 63 1HG LYS 63 2.039 9.360 -6.062 487 HD2 LYS 63 2HD LYS 63 3.143 8.206 -7.700 488 HD3 LYS 63 1HD LYS 63 2.053 6.940 -7.129 489 HE2 LYS 63 2HE LYS 63 1.367 6.738 -9.239 490 HE3 LYS 63 1HE LYS 63 0.574 8.300 -9.041 491 HZ1 LYS 63 3HZ LYS 63 3.031 7.630 -10.452 492 HZ2 LYS 63 1HZ LYS 63 3.020 9.106 -9.625 493 HZ3 LYS 63 2HZ LYS 63 1.858 8.793 -10.813 494 H MET 64 H MET 64 -2.083 7.874 -4.180 495 HA MET 64 HA MET 64 -3.853 6.117 -5.703 496 HB2 MET 64 2HB MET 64 -3.393 6.061 -2.726 497 HB3 MET 64 1HB MET 64 -4.009 4.771 -3.751 498 HG2 MET 64 2HG MET 64 -1.838 4.531 -4.799 499 HG3 MET 64 1HG MET 64 -1.209 5.874 -3.847 500 HE1 MET 64 3HE MET 64 -1.452 6.036 -1.482 501 HE2 MET 64 1HE MET 64 -0.110 5.031 -0.934 502 HE3 MET 64 2HE MET 64 -1.739 4.737 -0.325 503 H VAL 65 H VAL 65 -6.028 5.651 -4.583 504 HA VAL 65 HA VAL 65 -7.598 7.964 -4.675 505 HB VAL 65 HB VAL 65 -9.434 6.586 -3.806 506 HG11 VAL 65 1HG1 VAL 65 -9.076 4.614 -5.491 507 HG12 VAL 65 2HG1 VAL 65 -7.652 5.545 -5.958 508 HG13 VAL 65 3HG1 VAL 65 -9.257 6.269 -6.074 509 HG21 VAL 65 3HG2 VAL 65 -7.863 4.117 -3.652 510 HG22 VAL 65 1HG2 VAL 65 -9.171 4.697 -2.620 511 HG23 VAL 65 2HG2 VAL 65 -7.527 5.280 -2.373 512 H LYS 66 H LYS 66 -8.926 8.892 -2.955 513 HA LYS 66 HA LYS 66 -7.393 9.782 -0.796 514 HB2 LYS 66 2HB LYS 66 -9.805 10.482 -1.958 515 HB3 LYS 66 1HB LYS 66 -10.263 9.980 -0.335 516 HG2 LYS 66 2HG LYS 66 -9.863 12.203 0.002 517 HG3 LYS 66 1HG LYS 66 -8.275 11.528 0.374 518 HD2 LYS 66 2HD LYS 66 -7.312 12.557 -1.368 519 HD3 LYS 66 1HD LYS 66 -8.633 12.129 -2.458 520 HE2 LYS 66 2HE LYS 66 -8.685 14.465 -2.373 521 HE3 LYS 66 1HE LYS 66 -9.965 13.959 -1.271 522 HZ1 LYS 66 3HZ LYS 66 -8.584 14.405 0.589 523 HZ2 LYS 66 1HZ LYS 66 -8.497 15.761 -0.418 524 HZ3 LYS 66 2HZ LYS 66 -7.221 14.653 -0.380 525 HA PRO 67 HA PRO 67 -10.078 6.859 2.017 526 HB2 PRO 67 2HB PRO 67 -10.848 4.546 0.708 527 HB3 PRO 67 1HB PRO 67 -11.909 5.890 1.084 528 HG2 PRO 67 2HG PRO 67 -10.637 5.131 -1.471 529 HG3 PRO 67 1HG PRO 67 -12.156 5.989 -1.182 530 HD2 PRO 67 2HD PRO 67 -9.848 7.184 -2.036 531 HD3 PRO 67 1HD PRO 67 -11.130 8.021 -1.161 532 H PHE 68 H PHE 68 -8.338 5.342 -0.651 533 HA PHE 68 HA PHE 68 -7.107 3.357 1.013 534 HB2 PHE 68 2HB PHE 68 -7.563 3.224 -1.518 535 HB3 PHE 68 1HB PHE 68 -6.097 4.182 -1.699 536 HD1 PHE 68 1HD PHE 68 -3.958 3.255 -0.640 537 HD2 PHE 68 2HD PHE 68 -7.446 0.920 -1.326 538 HE1 PHE 68 1HE PHE 68 -2.603 1.205 -0.523 539 HE2 PHE 68 2HE PHE 68 -6.099 -1.135 -1.209 540 HZ PHE 68 HZ PHE 68 -3.673 -0.994 -0.809 541 H GLU 69 H GLU 69 -5.882 6.268 -0.650 542 HA GLU 69 HA GLU 69 -3.267 6.173 0.288 543 HB2 GLU 69 2HB GLU 69 -4.337 7.754 -1.440 544 HB3 GLU 69 1HB GLU 69 -4.768 8.757 -0.061 545 HG2 GLU 69 2HG GLU 69 -1.949 7.900 -0.239 546 HG3 GLU 69 1HG GLU 69 -2.507 9.052 -1.453 547 H ASP 70 H ASP 70 -6.193 7.258 1.848 548 HA ASP 70 HA ASP 70 -5.011 8.646 4.003 549 HB2 ASP 70 2HB ASP 70 -7.403 8.839 3.366 550 HB3 ASP 70 1HB ASP 70 -7.668 7.197 3.946 551 H ALA 71 H ALA 71 -6.302 5.332 3.795 552 HA ALA 71 HA ALA 71 -5.332 4.610 6.389 553 HB1 ALA 71 1HB ALA 71 -7.167 3.355 5.868 554 HB2 ALA 71 2HB ALA 71 -5.890 2.236 5.389 555 HB3 ALA 71 3HB ALA 71 -6.719 3.203 4.169 556 H ALA 72 H ALA 72 -3.807 4.966 3.417 557 HA ALA 72 HA ALA 72 -2.022 2.785 3.417 558 HB1 ALA 72 1HB ALA 72 -2.529 4.370 1.509 559 HB2 ALA 72 2HB ALA 72 -0.836 3.928 1.730 560 HB3 ALA 72 3HB ALA 72 -1.418 5.501 2.280 561 H PHE 73 H PHE 73 -1.686 6.093 4.675 562 HA PHE 73 HA PHE 73 0.875 5.391 5.884 563 HB2 PHE 73 2HB PHE 73 0.846 7.844 6.560 564 HB3 PHE 73 1HB PHE 73 0.910 7.514 4.831 565 HD1 PHE 73 1HD PHE 73 -1.452 8.323 7.580 566 HD2 PHE 73 2HD PHE 73 -0.657 8.452 3.400 567 HE1 PHE 73 1HE PHE 73 -3.458 9.708 7.244 568 HE2 PHE 73 2HE PHE 73 -2.661 9.836 3.058 569 HZ PHE 73 HZ PHE 73 -4.065 10.462 4.980 570 H ARG 74 H ARG 74 -1.964 4.532 6.795 571 HA ARG 74 HA ARG 74 -1.905 5.590 9.522 572 HB2 ARG 74 2HB ARG 74 -4.021 5.295 7.937 573 HB3 ARG 74 1HB ARG 74 -4.000 3.673 8.615 574 HG2 ARG 74 2HG ARG 74 -5.325 4.635 10.163 575 HG3 ARG 74 1HG ARG 74 -3.773 5.079 10.876 576 HD2 ARG 74 2HD ARG 74 -4.991 6.893 8.853 577 HD3 ARG 74 1HD ARG 74 -5.667 6.870 10.481 578 HE ARG 74 HE ARG 74 -2.919 7.126 10.752 579 HH11 ARG 74 1HH1 ARG 74 -5.561 8.951 9.382 580 HH12 ARG 74 2HH1 ARG 74 -4.801 10.485 9.644 581 HH21 ARG 74 1HH2 ARG 74 -1.920 9.143 11.099 582 HH22 ARG 74 2HH2 ARG 74 -2.734 10.594 10.620 583 H LEU 75 H LEU 75 -1.419 2.664 7.686 584 HA LEU 75 HA LEU 75 -1.095 1.105 10.140 585 HB2 LEU 75 2HB LEU 75 -1.161 0.275 7.247 586 HB3 LEU 75 1HB LEU 75 -0.888 -0.833 8.571 587 HG LEU 75 HG LEU 75 -3.406 0.531 7.746 588 HD11 LEU 75 1HD1 LEU 75 -3.176 -1.670 6.979 589 HD12 LEU 75 2HD1 LEU 75 -4.228 -1.783 8.390 590 HD13 LEU 75 3HD1 LEU 75 -2.520 -2.225 8.522 591 HD21 LEU 75 3HD2 LEU 75 -4.432 0.069 9.891 592 HD22 LEU 75 1HD2 LEU 75 -3.077 1.176 10.110 593 HD23 LEU 75 2HD2 LEU 75 -2.900 -0.530 10.526 594 H GLN 76 H GLN 76 0.837 2.803 10.208 595 HA GLN 76 HA GLN 76 3.167 2.236 8.723 596 HB2 GLN 76 2HB GLN 76 2.651 3.637 11.331 597 HB3 GLN 76 1HB GLN 76 4.296 3.349 10.783 598 HG2 GLN 76 2HG GLN 76 3.450 4.454 8.580 599 HG3 GLN 76 1HG GLN 76 2.194 5.113 9.625 600 HE21 GLN 76 1HE2 GLN 76 3.400 7.072 8.708 601 HE22 GLN 76 2HE2 GLN 76 4.670 7.701 9.696 602 H VAL 77 H VAL 77 1.640 0.724 11.401 603 HA VAL 77 HA VAL 77 3.816 -0.637 12.558 604 HB VAL 77 HB VAL 77 1.766 -0.616 13.770 605 HG11 VAL 77 1HG1 VAL 77 -0.157 -2.091 12.626 606 HG12 VAL 77 2HG1 VAL 77 0.604 -1.429 11.181 607 HG13 VAL 77 3HG1 VAL 77 -0.025 -0.344 12.420 608 HG21 VAL 77 3HG2 VAL 77 1.476 -3.427 13.011 609 HG22 VAL 77 1HG2 VAL 77 1.902 -2.709 14.565 610 HG23 VAL 77 2HG2 VAL 77 3.141 -2.943 13.332 611 H GLY 78 H GLY 78 1.987 -1.122 9.653 612 HA2 GLY 78 2HA GLY 78 2.707 -2.404 7.824 613 HA3 GLY 78 1HA GLY 78 3.769 -3.280 8.893 614 H GLU 79 H GLU 79 0.326 -2.699 8.526 615 HA GLU 79 HA GLU 79 -0.097 -5.597 8.650 616 HB2 GLU 79 2HB GLU 79 -0.366 -4.288 10.882 617 HB3 GLU 79 1HB GLU 79 -1.869 -3.744 10.180 618 HG2 GLU 79 2HG GLU 79 -1.612 -6.584 9.908 619 HG3 GLU 79 1HG GLU 79 -1.374 -6.103 11.587 620 H VAL 80 H VAL 80 -2.591 -5.982 8.289 621 HA VAL 80 HA VAL 80 -3.183 -4.639 5.819 622 HB VAL 80 HB VAL 80 -4.844 -6.699 7.283 623 HG11 VAL 80 1HG1 VAL 80 -6.371 -5.780 5.848 624 HG12 VAL 80 2HG1 VAL 80 -5.635 -6.967 4.774 625 HG13 VAL 80 3HG1 VAL 80 -5.142 -5.277 4.687 626 HG21 VAL 80 3HG2 VAL 80 -2.823 -6.992 5.059 627 HG22 VAL 80 1HG2 VAL 80 -3.950 -8.260 5.552 628 HG23 VAL 80 2HG2 VAL 80 -2.732 -7.672 6.686 629 H SER 81 H SER 81 -5.031 -3.325 5.435 630 HA SER 81 HA SER 81 -5.984 -2.037 7.891 631 HB2 SER 81 2HB SER 81 -4.928 -0.446 6.501 632 HB3 SER 81 1HB SER 81 -5.716 -1.067 5.052 633 HG SER 81 HG SER 81 -7.416 0.104 5.479 634 H GLU 82 H GLU 82 -8.136 -1.145 7.886 635 HA GLU 82 HA GLU 82 -10.109 -3.035 7.712 636 HB2 GLU 82 2HB GLU 82 -11.662 -1.216 8.089 637 HB3 GLU 82 1HB GLU 82 -10.187 -0.889 8.977 638 HG2 GLU 82 2HG GLU 82 -9.951 1.042 7.950 639 HG3 GLU 82 1HG GLU 82 -9.960 0.226 6.388 640 HA PRO 83 HA PRO 83 -11.530 -3.381 3.566 641 HB2 PRO 83 2HB PRO 83 -14.245 -3.204 3.807 642 HB3 PRO 83 1HB PRO 83 -13.314 -4.639 4.251 643 HG2 PRO 83 2HG PRO 83 -14.386 -2.459 5.994 644 HG3 PRO 83 1HG PRO 83 -14.354 -4.209 6.279 645 HD2 PRO 83 2HD PRO 83 -12.576 -2.527 7.415 646 HD3 PRO 83 1HD PRO 83 -12.145 -4.184 6.955 647 H VAL 84 H VAL 84 -10.856 -1.622 2.436 648 HA VAL 84 HA VAL 84 -12.481 0.824 2.573 649 HB VAL 84 HB VAL 84 -9.775 0.349 1.306 650 HG11 VAL 84 1HG1 VAL 84 -11.400 2.885 1.509 651 HG12 VAL 84 2HG1 VAL 84 -11.028 1.990 0.032 652 HG13 VAL 84 3HG1 VAL 84 -9.733 2.777 0.936 653 HG21 VAL 84 3HG2 VAL 84 -8.808 1.168 3.163 654 HG22 VAL 84 1HG2 VAL 84 -10.307 0.661 3.942 655 HG23 VAL 84 2HG2 VAL 84 -10.096 2.339 3.443 656 H LYS 85 H LYS 85 -14.216 0.472 1.282 657 HA LYS 85 HA LYS 85 -13.801 -0.642 -1.381 658 HB2 LYS 85 2HB LYS 85 -16.146 -0.974 -1.495 659 HB3 LYS 85 1HB LYS 85 -15.665 -1.434 0.131 660 HG2 LYS 85 2HG LYS 85 -17.474 -0.198 0.668 661 HG3 LYS 85 1HG LYS 85 -16.295 1.114 0.599 662 HD2 LYS 85 2HD LYS 85 -17.676 2.080 -0.869 663 HD3 LYS 85 1HD LYS 85 -17.114 0.867 -2.020 664 HE2 LYS 85 2HE LYS 85 -19.613 0.871 -0.362 665 HE3 LYS 85 1HE LYS 85 -19.450 0.735 -2.112 666 HZ1 LYS 85 3HZ LYS 85 -19.773 -1.432 -1.652 667 HZ2 LYS 85 1HZ LYS 85 -19.210 -1.313 -0.061 668 HZ3 LYS 85 2HZ LYS 85 -18.111 -1.419 -1.343 669 H SER 86 H SER 86 -13.357 0.681 -2.981 670 HA SER 86 HA SER 86 -14.347 3.447 -2.866 671 HB2 SER 86 2HB SER 86 -11.967 2.170 -4.190 672 HB3 SER 86 1HB SER 86 -12.589 3.714 -4.773 673 HG SER 86 HG SER 86 -11.766 3.153 -2.114 674 H GLU 87 H GLU 87 -14.368 4.263 -5.390 675 HA GLU 87 HA GLU 87 -16.730 3.239 -6.460 676 HB2 GLU 87 2HB GLU 87 -15.980 4.467 -8.573 677 HB3 GLU 87 1HB GLU 87 -16.144 5.424 -7.105 678 HG2 GLU 87 2HG GLU 87 -13.472 4.305 -7.525 679 HG3 GLU 87 1HG GLU 87 -13.993 5.451 -8.760 680 H PHE 88 H PHE 88 -13.512 2.067 -6.708 681 HA PHE 88 HA PHE 88 -14.013 0.537 -9.120 682 HB2 PHE 88 2HB PHE 88 -11.665 1.195 -7.452 683 HB3 PHE 88 1HB PHE 88 -11.631 -0.391 -8.213 684 HD1 PHE 88 1HD PHE 88 -12.027 -0.492 -10.738 685 HD2 PHE 88 2HD PHE 88 -11.076 3.092 -8.651 686 HE1 PHE 88 1HE PHE 88 -11.287 0.537 -12.848 687 HE2 PHE 88 2HE PHE 88 -10.333 4.127 -10.756 688 HZ PHE 88 HZ PHE 88 -10.439 2.849 -12.858 689 H GLY 89 H GLY 89 -13.619 -0.043 -5.644 690 HA2 GLY 89 2HA GLY 89 -15.319 -2.135 -5.338 691 HA3 GLY 89 1HA GLY 89 -13.871 -2.906 -5.959 692 H TYR 90 H TYR 90 -14.251 -3.989 -3.801 693 HA TYR 90 HA TYR 90 -13.564 -2.549 -1.431 694 HB2 TYR 90 2HB TYR 90 -14.477 -5.195 -2.169 695 HB3 TYR 90 1HB TYR 90 -13.192 -5.288 -0.982 696 HD1 TYR 90 1HD TYR 90 -16.403 -3.515 -1.636 697 HD2 TYR 90 2HD TYR 90 -13.733 -5.084 1.280 698 HE1 TYR 90 1HE TYR 90 -18.036 -2.999 0.129 699 HE2 TYR 90 2HE TYR 90 -15.361 -4.579 3.052 700 HH TYR 90 HH TYR 90 -17.703 -2.528 2.866 701 H HIS 91 H HIS 91 -11.576 -1.751 -1.213 702 HA HIS 91 HA HIS 91 -9.294 -3.188 -2.321 703 HB2 HIS 91 2HB HIS 91 -9.607 -0.410 -1.190 704 HB3 HIS 91 1HB HIS 91 -8.060 -1.078 -1.684 705 HD1 HIS 91 1HD HIS 91 -11.479 -0.453 -3.230 706 HD2 HIS 91 2HD HIS 91 -7.459 -0.581 -4.274 707 HE1 HIS 91 1HE HIS 91 -11.389 0.250 -5.641 708 HE2 HIS 91 2HE HIS 91 -8.938 0.246 -6.228 709 H VAL 92 H VAL 92 -7.244 -3.066 -1.041 710 HA VAL 92 HA VAL 92 -7.534 -3.269 1.847 711 HB VAL 92 HB VAL 92 -6.285 -5.540 0.293 712 HG11 VAL 92 1HG1 VAL 92 -7.027 -5.273 3.205 713 HG12 VAL 92 2HG1 VAL 92 -5.395 -5.171 2.543 714 HG13 VAL 92 3HG1 VAL 92 -6.294 -6.686 2.444 715 HG21 VAL 92 3HG2 VAL 92 -8.531 -5.829 -0.213 716 HG22 VAL 92 1HG2 VAL 92 -9.067 -5.197 1.343 717 HG23 VAL 92 2HG2 VAL 92 -8.336 -6.799 1.249 718 H ILE 93 H ILE 93 -5.469 -3.103 2.946 719 HA ILE 93 HA ILE 93 -3.231 -2.364 1.180 720 HB ILE 93 HB ILE 93 -3.416 -0.800 3.667 721 HG12 ILE 93 2HG1 ILE 93 -5.349 -0.340 1.386 722 HG13 ILE 93 1HG1 ILE 93 -5.772 -0.769 3.036 723 HG21 ILE 93 1HG2 ILE 93 -1.678 -0.100 2.372 724 HG22 ILE 93 2HG2 ILE 93 -2.933 0.986 1.777 725 HG23 ILE 93 3HG2 ILE 93 -2.511 -0.460 0.861 726 HD11 ILE 93 3HD1 ILE 93 -4.575 1.812 2.071 727 HD12 ILE 93 1HD1 ILE 93 -4.754 1.385 3.772 728 HD13 ILE 93 2HD1 ILE 93 -6.181 1.552 2.750 729 H LYS 94 H LYS 94 -1.455 -3.450 1.632 730 HA LYS 94 HA LYS 94 -0.922 -4.231 4.417 731 HB2 LYS 94 2HB LYS 94 -1.662 -6.230 3.277 732 HB3 LYS 94 1HB LYS 94 -0.554 -5.934 1.948 733 HG2 LYS 94 2HG LYS 94 0.220 -7.700 3.474 734 HG3 LYS 94 1HG LYS 94 1.343 -6.344 3.373 735 HD2 LYS 94 2HD LYS 94 0.773 -5.558 5.497 736 HD3 LYS 94 1HD LYS 94 -0.740 -6.466 5.527 737 HE2 LYS 94 2HE LYS 94 1.127 -8.450 5.263 738 HE3 LYS 94 1HE LYS 94 1.965 -7.282 6.285 739 HZ1 LYS 94 3HZ LYS 94 0.861 -8.456 7.864 740 HZ2 LYS 94 1HZ LYS 94 -0.428 -8.865 6.846 741 HZ3 LYS 94 2HZ LYS 94 -0.342 -7.317 7.525 742 H ARG 95 H ARG 95 0.754 -3.012 5.000 743 HA ARG 95 HA ARG 95 2.558 -1.743 3.336 744 HB2 ARG 95 2HB ARG 95 2.060 -1.324 5.809 745 HB3 ARG 95 1HB ARG 95 3.242 -2.586 6.131 746 HG2 ARG 95 2HG ARG 95 4.986 -1.318 5.112 747 HG3 ARG 95 1HG ARG 95 3.836 -0.115 4.522 748 HD2 ARG 95 2HD ARG 95 3.396 -0.246 7.271 749 HD3 ARG 95 1HD ARG 95 5.148 -0.313 7.090 750 HE ARG 95 HE ARG 95 3.477 1.949 6.669 751 HH11 ARG 95 1HH1 ARG 95 6.387 0.398 5.528 752 HH12 ARG 95 2HH1 ARG 95 7.100 1.872 4.966 753 HH21 ARG 95 1HH2 ARG 95 4.413 3.888 5.930 754 HH22 ARG 95 2HH2 ARG 95 5.981 3.853 5.194 755 H LEU 96 H LEU 96 4.484 -2.131 2.540 756 HA LEU 96 HA LEU 96 6.140 -4.317 3.252 757 HB2 LEU 96 2HB LEU 96 5.739 -5.751 1.577 758 HB3 LEU 96 1HB LEU 96 4.173 -4.989 1.519 759 HG LEU 96 HG LEU 96 5.246 -3.418 -0.239 760 HD11 LEU 96 1HD1 LEU 96 7.331 -5.485 0.126 761 HD12 LEU 96 2HD1 LEU 96 7.482 -3.790 -0.338 762 HD13 LEU 96 3HD1 LEU 96 6.970 -4.989 -1.527 763 HD21 LEU 96 3HD2 LEU 96 5.092 -6.020 -1.522 764 HD22 LEU 96 1HD2 LEU 96 4.076 -4.592 -1.721 765 HD23 LEU 96 2HD2 LEU 96 3.759 -5.724 -0.406 766 H GLY 97 H GLY 97 8.064 -3.356 3.200 767 HA2 GLY 97 2HA GLY 97 8.954 -1.971 0.827 768 HA3 GLY 97 1HA GLY 97 8.803 -0.955 2.247 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 25.397 16.543 -7.822 2 H2 GLY 1 2HT GLY 1 25.092 15.598 -9.191 3 H3 GLY 1 3HT GLY 1 26.655 15.675 -8.548 4 HA2 GLY 1 1HA GLY 1 25.051 13.656 -8.056 5 HA3 GLY 1 2HA GLY 1 26.233 14.226 -6.888 6 HA PRO 2 HA PRO 2 21.875 15.901 -5.536 7 HB2 PRO 2 2HB PRO 2 19.755 14.503 -6.496 8 HB3 PRO 2 1HB PRO 2 20.404 15.934 -7.301 9 HG2 PRO 2 2HG PRO 2 20.872 13.043 -7.915 10 HG3 PRO 2 1HG PRO 2 20.566 14.388 -9.029 11 HD2 PRO 2 2HD PRO 2 23.049 13.413 -8.574 12 HD3 PRO 2 1HD PRO 2 22.749 15.124 -8.941 13 H MET 3 H MET 3 21.760 15.222 -3.498 14 HA MET 3 HA MET 3 21.150 12.393 -2.984 15 HB2 MET 3 2HB MET 3 23.609 13.586 -2.460 16 HB3 MET 3 1HB MET 3 22.794 13.589 -0.903 17 HG2 MET 3 2HG MET 3 22.720 11.299 -0.780 18 HG3 MET 3 1HG MET 3 22.814 11.095 -2.528 19 HE1 MET 3 3HE MET 3 24.336 10.376 0.504 20 HE2 MET 3 1HE MET 3 26.030 10.071 0.117 21 HE3 MET 3 2HE MET 3 24.759 9.172 -0.713 22 H GLY 4 H GLY 4 19.885 11.970 -1.164 23 HA2 GLY 4 2HA GLY 4 19.102 13.129 0.999 24 HA3 GLY 4 1HA GLY 4 18.483 14.338 -0.118 25 H SER 5 H SER 5 18.431 10.779 0.127 26 HA SER 5 HA SER 5 15.746 10.708 -0.939 27 HB2 SER 5 2HB SER 5 15.972 8.262 -0.749 28 HB3 SER 5 1HB SER 5 17.363 8.968 -1.571 29 HG SER 5 HG SER 5 18.609 8.351 0.013 30 H MET 6 H MET 6 13.927 10.703 0.203 31 HA MET 6 HA MET 6 14.101 10.194 3.100 32 HB2 MET 6 2HB MET 6 12.920 12.364 1.587 33 HB3 MET 6 1HB MET 6 11.719 11.582 2.607 34 HG2 MET 6 2HG MET 6 12.651 12.329 4.510 35 HG3 MET 6 1HG MET 6 14.296 12.167 3.897 36 HE1 MET 6 3HE MET 6 14.545 15.195 1.520 37 HE2 MET 6 1HE MET 6 14.839 13.467 1.709 38 HE3 MET 6 2HE MET 6 15.645 14.619 2.773 39 H ALA 7 H ALA 7 11.930 9.489 4.041 40 HA ALA 7 HA ALA 7 10.828 7.391 2.298 41 HB1 ALA 7 1HB ALA 7 10.524 7.426 5.278 42 HB2 ALA 7 2HB ALA 7 12.007 6.843 4.522 43 HB3 ALA 7 3HB ALA 7 10.468 6.058 4.167 44 H ASP 8 H ASP 8 9.949 10.196 2.320 45 HA ASP 8 HA ASP 8 7.606 10.636 3.740 46 HB2 ASP 8 2HB ASP 8 9.017 12.010 1.821 47 HB3 ASP 8 1HB ASP 8 7.518 11.632 0.979 48 H LYS 9 H LYS 9 8.205 8.556 1.047 49 HA LYS 9 HA LYS 9 5.434 8.211 0.355 50 HB2 LYS 9 2HB LYS 9 8.025 7.045 -0.586 51 HB3 LYS 9 1HB LYS 9 6.498 6.316 -1.052 52 HG2 LYS 9 2HG LYS 9 7.477 7.906 -2.695 53 HG3 LYS 9 1HG LYS 9 5.820 8.260 -2.215 54 HD2 LYS 9 2HD LYS 9 7.132 10.287 -2.308 55 HD3 LYS 9 1HD LYS 9 6.666 9.950 -0.642 56 HE2 LYS 9 2HE LYS 9 8.853 10.380 -0.259 57 HE3 LYS 9 1HE LYS 9 9.029 8.688 -0.719 58 HZ1 LYS 9 3HZ LYS 9 10.523 9.552 -2.142 59 HZ2 LYS 9 1HZ LYS 9 9.813 11.089 -2.153 60 HZ3 LYS 9 2HZ LYS 9 9.161 9.849 -3.100 61 H ILE 10 H ILE 10 4.503 6.058 0.248 62 HA ILE 10 HA ILE 10 5.229 4.457 2.611 63 HB ILE 10 HB ILE 10 2.577 4.035 1.354 64 HG12 ILE 10 2HG1 ILE 10 3.097 6.389 3.185 65 HG13 ILE 10 1HG1 ILE 10 2.820 6.516 1.451 66 HG21 ILE 10 1HG2 ILE 10 3.164 4.320 4.270 67 HG22 ILE 10 2HG2 ILE 10 3.636 2.864 3.391 68 HG23 ILE 10 3HG2 ILE 10 1.940 3.342 3.456 69 HD11 ILE 10 3HD1 ILE 10 0.747 6.978 2.368 70 HD12 ILE 10 1HD1 ILE 10 0.916 5.741 3.613 71 HD13 ILE 10 2HD1 ILE 10 0.625 5.271 1.939 72 H LYS 11 H LYS 11 5.653 2.395 2.339 73 HA LYS 11 HA LYS 11 5.531 1.350 -0.404 74 HB2 LYS 11 2HB LYS 11 7.307 0.252 1.774 75 HB3 LYS 11 1HB LYS 11 7.460 0.071 0.031 76 HG2 LYS 11 2HG LYS 11 8.524 2.038 -0.234 77 HG3 LYS 11 1HG LYS 11 7.600 2.856 1.035 78 HD2 LYS 11 2HD LYS 11 9.638 2.737 2.061 79 HD3 LYS 11 1HD LYS 11 8.978 1.182 2.573 80 HE2 LYS 11 2HE LYS 11 10.541 0.055 1.451 81 HE3 LYS 11 1HE LYS 11 10.274 1.001 -0.012 82 HZ1 LYS 11 3HZ LYS 11 12.490 1.382 0.641 83 HZ2 LYS 11 1HZ LYS 11 12.069 1.633 2.261 84 HZ3 LYS 11 2HZ LYS 11 11.648 2.778 1.090 85 H CYS 12 H CYS 12 3.435 0.582 -0.273 86 HA CYS 12 HA CYS 12 3.122 -1.756 1.453 87 HB2 CYS 12 2HB CYS 12 0.842 0.124 0.911 88 HB3 CYS 12 1HB CYS 12 0.909 -1.187 2.073 89 HG CYS 12 HG CYS 12 1.683 0.437 3.713 90 H SER 13 H SER 13 0.901 -2.873 0.703 91 HA SER 13 HA SER 13 0.973 -3.071 -2.231 92 HB2 SER 13 2HB SER 13 0.462 -5.561 -1.847 93 HB3 SER 13 1HB SER 13 2.111 -5.026 -1.527 94 HG SER 13 HG SER 13 1.583 -4.949 0.687 95 H HIS 14 H HIS 14 -1.047 -4.088 -3.136 96 HA HIS 14 HA HIS 14 -3.365 -3.660 -1.393 97 HB2 HIS 14 2HB HIS 14 -4.533 -2.374 -3.060 98 HB3 HIS 14 1HB HIS 14 -2.979 -1.613 -2.741 99 HD1 HIS 14 1HD HIS 14 -2.024 -4.284 -4.780 100 HD2 HIS 14 2HD HIS 14 -4.068 -0.742 -5.517 101 HE1 HIS 14 1HE HIS 14 -1.782 -3.871 -7.247 102 HE2 HIS 14 2HE HIS 14 -2.961 -1.682 -7.657 103 H ILE 15 H ILE 15 -5.340 -4.601 -2.106 104 HA ILE 15 HA ILE 15 -5.231 -6.586 -4.227 105 HB ILE 15 HB ILE 15 -5.525 -7.301 -1.315 106 HG12 ILE 15 2HG1 ILE 15 -4.063 -9.259 -2.341 107 HG13 ILE 15 1HG1 ILE 15 -3.739 -8.059 -3.585 108 HG21 ILE 15 1HG2 ILE 15 -7.256 -8.614 -1.854 109 HG22 ILE 15 2HG2 ILE 15 -6.050 -9.642 -2.625 110 HG23 ILE 15 3HG2 ILE 15 -6.953 -8.471 -3.584 111 HD11 ILE 15 3HD1 ILE 15 -3.360 -6.674 -1.231 112 HD12 ILE 15 1HD1 ILE 15 -2.103 -7.342 -2.272 113 HD13 ILE 15 2HD1 ILE 15 -2.697 -8.273 -0.897 114 H LEU 16 H LEU 16 -7.111 -6.539 -5.297 115 HA LEU 16 HA LEU 16 -9.427 -5.305 -3.972 116 HB2 LEU 16 2HB LEU 16 -8.314 -5.190 -6.672 117 HB3 LEU 16 1HB LEU 16 -10.037 -5.469 -6.657 118 HG LEU 16 HG LEU 16 -9.740 -3.135 -6.833 119 HD11 LEU 16 1HD1 LEU 16 -11.010 -4.290 -4.595 120 HD12 LEU 16 2HD1 LEU 16 -11.373 -2.761 -5.394 121 HD13 LEU 16 3HD1 LEU 16 -10.236 -2.803 -4.050 122 HD21 LEU 16 3HD2 LEU 16 -8.041 -1.981 -5.962 123 HD22 LEU 16 1HD2 LEU 16 -7.347 -3.555 -5.575 124 HD23 LEU 16 2HD2 LEU 16 -8.270 -2.676 -4.357 125 H VAL 17 H VAL 17 -11.345 -6.323 -3.787 126 HA VAL 17 HA VAL 17 -11.899 -8.737 -5.290 127 HB VAL 17 HB VAL 17 -12.365 -10.130 -3.363 128 HG11 VAL 17 1HG1 VAL 17 -9.603 -9.081 -2.877 129 HG12 VAL 17 2HG1 VAL 17 -10.013 -9.863 -4.403 130 HG13 VAL 17 3HG1 VAL 17 -10.176 -10.748 -2.892 131 HG21 VAL 17 3HG2 VAL 17 -12.973 -8.899 -1.548 132 HG22 VAL 17 1HG2 VAL 17 -11.785 -7.634 -1.867 133 HG23 VAL 17 2HG2 VAL 17 -11.278 -9.157 -1.133 134 H LYS 18 H LYS 18 -14.039 -8.942 -5.706 135 HA LYS 18 HA LYS 18 -15.759 -6.792 -4.997 136 HB2 LYS 18 2HB LYS 18 -16.311 -9.403 -6.410 137 HB3 LYS 18 1HB LYS 18 -17.493 -8.114 -6.230 138 HG2 LYS 18 2HG LYS 18 -16.278 -6.658 -7.614 139 HG3 LYS 18 1HG LYS 18 -14.828 -7.661 -7.530 140 HD2 LYS 18 2HD LYS 18 -17.255 -8.958 -8.604 141 HD3 LYS 18 1HD LYS 18 -16.537 -7.694 -9.605 142 HE2 LYS 18 2HE LYS 18 -14.602 -8.873 -9.946 143 HE3 LYS 18 1HE LYS 18 -14.749 -9.762 -8.431 144 HZ1 LYS 18 3HZ LYS 18 -15.845 -10.369 -11.052 145 HZ2 LYS 18 1HZ LYS 18 -16.869 -10.678 -9.740 146 HZ3 LYS 18 2HZ LYS 18 -15.347 -11.412 -9.816 147 H LYS 19 H LYS 19 -15.441 -10.117 -3.837 148 HA LYS 19 HA LYS 19 -17.832 -10.015 -2.284 149 HB2 LYS 19 2HB LYS 19 -17.324 -12.205 -2.691 150 HB3 LYS 19 1HB LYS 19 -15.594 -11.913 -2.709 151 HG2 LYS 19 2HG LYS 19 -15.463 -11.987 -0.378 152 HG3 LYS 19 1HG LYS 19 -17.212 -11.924 -0.185 153 HD2 LYS 19 2HD LYS 19 -16.934 -14.135 -1.734 154 HD3 LYS 19 1HD LYS 19 -15.446 -14.203 -0.788 155 HE2 LYS 19 2HE LYS 19 -16.948 -13.825 1.251 156 HE3 LYS 19 1HE LYS 19 -18.290 -14.226 0.179 157 HZ1 LYS 19 3HZ LYS 19 -16.028 -15.950 0.997 158 HZ2 LYS 19 1HZ LYS 19 -17.008 -16.325 -0.330 159 HZ3 LYS 19 2HZ LYS 19 -17.684 -16.221 1.216 160 H GLN 20 H GLN 20 -17.474 -7.960 -1.325 161 HA GLN 20 HA GLN 20 -15.374 -7.071 0.120 162 HB2 GLN 20 2HB GLN 20 -16.892 -5.608 1.307 163 HB3 GLN 20 1HB GLN 20 -17.410 -5.765 -0.366 164 HG2 GLN 20 2HG GLN 20 -19.365 -6.677 0.198 165 HG3 GLN 20 1HG GLN 20 -18.638 -7.711 1.426 166 HE21 GLN 20 1HE2 GLN 20 -21.039 -5.833 1.280 167 HE22 GLN 20 2HE2 GLN 20 -20.906 -4.888 2.720 168 H GLY 21 H GLY 21 -17.530 -9.605 1.143 169 HA2 GLY 21 2HA GLY 21 -16.936 -9.404 3.914 170 HA3 GLY 21 1HA GLY 21 -17.547 -10.841 3.103 171 H GLU 22 H GLU 22 -15.311 -10.811 1.186 172 HA GLU 22 HA GLU 22 -13.470 -12.362 2.730 173 HB2 GLU 22 2HB GLU 22 -12.409 -12.855 0.681 174 HB3 GLU 22 1HB GLU 22 -14.123 -12.784 0.329 175 HG2 GLU 22 2HG GLU 22 -13.824 -11.221 -1.189 176 HG3 GLU 22 1HG GLU 22 -12.872 -10.234 -0.087 177 H ALA 23 H ALA 23 -13.527 -9.175 1.288 178 HA ALA 23 HA ALA 23 -10.893 -8.387 1.531 179 HB1 ALA 23 1HB ALA 23 -11.799 -6.070 1.826 180 HB2 ALA 23 2HB ALA 23 -13.411 -6.774 1.943 181 HB3 ALA 23 3HB ALA 23 -12.481 -6.944 0.453 182 H LEU 24 H LEU 24 -13.375 -8.739 3.968 183 HA LEU 24 HA LEU 24 -11.908 -7.497 6.090 184 HB2 LEU 24 2HB LEU 24 -14.472 -7.953 5.857 185 HB3 LEU 24 1HB LEU 24 -14.072 -9.532 6.500 186 HG LEU 24 HG LEU 24 -14.880 -7.861 8.193 187 HD11 LEU 24 1HD1 LEU 24 -13.380 -9.907 8.604 188 HD12 LEU 24 2HD1 LEU 24 -13.507 -8.691 9.874 189 HD13 LEU 24 3HD1 LEU 24 -12.086 -8.731 8.831 190 HD21 LEU 24 3HD2 LEU 24 -13.645 -5.930 7.201 191 HD22 LEU 24 1HD2 LEU 24 -12.154 -6.629 7.832 192 HD23 LEU 24 2HD2 LEU 24 -13.428 -6.120 8.940 193 H ALA 25 H ALA 25 -12.397 -10.780 4.936 194 HA ALA 25 HA ALA 25 -10.997 -12.045 7.075 195 HB1 ALA 25 1HB ALA 25 -12.045 -12.945 4.420 196 HB2 ALA 25 2HB ALA 25 -12.560 -13.412 6.041 197 HB3 ALA 25 3HB ALA 25 -11.028 -14.006 5.397 198 H VAL 26 H VAL 26 -10.130 -11.281 3.701 199 HA VAL 26 HA VAL 26 -7.683 -12.463 3.515 200 HB VAL 26 HB VAL 26 -7.022 -10.789 1.899 201 HG11 VAL 26 1HG1 VAL 26 -9.921 -10.889 1.350 202 HG12 VAL 26 2HG1 VAL 26 -9.126 -12.434 1.654 203 HG13 VAL 26 3HG1 VAL 26 -8.556 -11.389 0.353 204 HG21 VAL 26 3HG2 VAL 26 -8.277 -8.757 1.527 205 HG22 VAL 26 1HG2 VAL 26 -7.709 -8.805 3.197 206 HG23 VAL 26 2HG2 VAL 26 -9.393 -9.175 2.826 207 H GLN 27 H GLN 27 -8.441 -9.449 5.210 208 HA GLN 27 HA GLN 27 -5.805 -8.637 5.673 209 HB2 GLN 27 2HB GLN 27 -6.661 -7.044 7.098 210 HB3 GLN 27 1HB GLN 27 -8.082 -7.424 6.144 211 HG2 GLN 27 2HG GLN 27 -9.219 -8.041 7.938 212 HG3 GLN 27 1HG GLN 27 -7.931 -9.096 8.495 213 HE21 GLN 27 1HE2 GLN 27 -8.443 -5.604 8.133 214 HE22 GLN 27 2HE2 GLN 27 -7.880 -5.187 9.712 215 H GLU 28 H GLU 28 -7.934 -10.699 7.628 216 HA GLU 28 HA GLU 28 -5.912 -11.266 9.570 217 HB2 GLU 28 2HB GLU 28 -7.504 -12.592 10.645 218 HB3 GLU 28 1HB GLU 28 -8.474 -11.355 9.861 219 HG2 GLU 28 2HG GLU 28 -9.685 -12.947 8.935 220 HG3 GLU 28 1HG GLU 28 -8.273 -13.460 8.019 221 H ARG 29 H ARG 29 -6.965 -12.673 6.574 222 HA ARG 29 HA ARG 29 -5.609 -15.177 6.930 223 HB2 ARG 29 2HB ARG 29 -7.614 -15.037 5.565 224 HB3 ARG 29 1HB ARG 29 -6.836 -13.885 4.494 225 HG2 ARG 29 2HG ARG 29 -6.707 -15.866 3.322 226 HG3 ARG 29 1HG ARG 29 -5.117 -15.757 4.082 227 HD2 ARG 29 2HD ARG 29 -5.629 -17.391 5.664 228 HD3 ARG 29 1HD ARG 29 -7.364 -17.218 5.420 229 HE ARG 29 HE ARG 29 -6.503 -18.112 3.024 230 HH11 ARG 29 1HH1 ARG 29 -6.022 -19.244 6.289 231 HH12 ARG 29 2HH1 ARG 29 -5.879 -20.906 5.824 232 HH21 ARG 29 1HH2 ARG 29 -6.316 -20.297 2.410 233 HH22 ARG 29 2HH2 ARG 29 -6.046 -21.504 3.622 234 H LEU 30 H LEU 30 -4.790 -12.063 5.611 235 HA LEU 30 HA LEU 30 -2.602 -12.910 4.011 236 HB2 LEU 30 2HB LEU 30 -3.894 -10.715 3.888 237 HB3 LEU 30 1HB LEU 30 -2.960 -10.195 5.274 238 HG LEU 30 HG LEU 30 -2.023 -9.305 3.218 239 HD11 LEU 30 1HD1 LEU 30 0.177 -9.683 3.732 240 HD12 LEU 30 2HD1 LEU 30 -0.067 -11.409 4.000 241 HD13 LEU 30 3HD1 LEU 30 -0.606 -10.244 5.211 242 HD21 LEU 30 3HD2 LEU 30 -0.860 -11.521 1.973 243 HD22 LEU 30 1HD2 LEU 30 -2.161 -10.503 1.356 244 HD23 LEU 30 2HD2 LEU 30 -2.541 -11.966 2.263 245 H LYS 31 H LYS 31 -2.912 -11.629 7.288 246 HA LYS 31 HA LYS 31 -0.145 -11.665 7.857 247 HB2 LYS 31 2HB LYS 31 -2.530 -10.686 8.960 248 HB3 LYS 31 1HB LYS 31 -1.849 -11.757 10.155 249 HG2 LYS 31 2HG LYS 31 -1.095 -9.472 10.493 250 HG3 LYS 31 1HG LYS 31 0.264 -10.512 10.061 251 HD2 LYS 31 2HD LYS 31 -1.023 -9.398 7.715 252 HD3 LYS 31 1HD LYS 31 -0.477 -8.131 8.823 253 HE2 LYS 31 2HE LYS 31 1.353 -10.391 8.139 254 HE3 LYS 31 1HE LYS 31 1.138 -9.067 6.995 255 HZ1 LYS 31 3HZ LYS 31 2.498 -9.100 9.555 256 HZ2 LYS 31 1HZ LYS 31 1.563 -7.723 9.256 257 HZ3 LYS 31 2HZ LYS 31 2.795 -8.158 8.182 258 H ALA 32 H ALA 32 -2.406 -14.144 7.571 259 HA ALA 32 HA ALA 32 -1.710 -15.842 9.703 260 HB1 ALA 32 1HB ALA 32 -2.656 -17.645 8.240 261 HB2 ALA 32 2HB ALA 32 -2.850 -16.427 6.979 262 HB3 ALA 32 3HB ALA 32 -3.722 -16.264 8.503 263 H GLY 33 H GLY 33 -0.176 -15.172 6.657 264 HA2 GLY 33 2HA GLY 33 2.325 -15.907 7.119 265 HA3 GLY 33 1HA GLY 33 1.570 -17.470 6.872 266 H GLU 34 H GLU 34 -0.314 -15.984 4.920 267 HA GLU 34 HA GLU 34 1.203 -16.627 2.581 268 HB2 GLU 34 2HB GLU 34 -0.792 -15.893 1.341 269 HB3 GLU 34 1HB GLU 34 -1.196 -17.020 2.626 270 HG2 GLU 34 2HG GLU 34 -1.833 -15.085 4.042 271 HG3 GLU 34 1HG GLU 34 -1.563 -14.036 2.652 272 H LYS 35 H LYS 35 1.602 -15.168 0.799 273 HA LYS 35 HA LYS 35 2.443 -12.535 1.770 274 HB2 LYS 35 2HB LYS 35 3.979 -14.250 0.542 275 HB3 LYS 35 1HB LYS 35 3.189 -13.653 -0.910 276 HG2 LYS 35 2HG LYS 35 4.462 -11.841 -0.941 277 HG3 LYS 35 1HG LYS 35 4.054 -11.458 0.734 278 HD2 LYS 35 2HD LYS 35 6.220 -11.863 1.154 279 HD3 LYS 35 1HD LYS 35 5.776 -13.566 1.026 280 HE2 LYS 35 2HE LYS 35 7.697 -13.175 -0.355 281 HE3 LYS 35 1HE LYS 35 6.305 -13.463 -1.399 282 HZ1 LYS 35 3HZ LYS 35 7.904 -11.072 -1.066 283 HZ2 LYS 35 1HZ LYS 35 6.235 -10.803 -1.152 284 HZ3 LYS 35 2HZ LYS 35 7.028 -11.611 -2.409 285 H PHE 36 H PHE 36 1.771 -10.649 0.885 286 HA PHE 36 HA PHE 36 -0.750 -10.395 -0.180 287 HB2 PHE 36 2HB PHE 36 0.177 -8.121 -1.060 288 HB3 PHE 36 1HB PHE 36 0.124 -8.416 0.675 289 HD1 PHE 36 1HD PHE 36 2.400 -8.677 -2.257 290 HD2 PHE 36 2HD PHE 36 2.033 -8.132 1.947 291 HE1 PHE 36 1HE PHE 36 4.812 -8.222 -2.109 292 HE2 PHE 36 2HE PHE 36 4.444 -7.673 2.103 293 HZ PHE 36 HZ PHE 36 5.838 -7.718 0.073 294 H GLY 37 H GLY 37 2.287 -10.903 -1.857 295 HA2 GLY 37 2HA GLY 37 1.465 -10.271 -4.464 296 HA3 GLY 37 1HA GLY 37 2.761 -11.385 -4.050 297 H LYS 38 H LYS 38 1.155 -13.248 -2.602 298 HA LYS 38 HA LYS 38 0.302 -14.902 -4.716 299 HB2 LYS 38 2HB LYS 38 1.084 -15.791 -2.568 300 HB3 LYS 38 1HB LYS 38 -0.313 -15.094 -1.762 301 HG2 LYS 38 2HG LYS 38 -1.271 -17.080 -2.054 302 HG3 LYS 38 1HG LYS 38 -1.459 -16.606 -3.743 303 HD2 LYS 38 2HD LYS 38 -0.013 -18.163 -4.419 304 HD3 LYS 38 1HD LYS 38 1.190 -17.650 -3.234 305 HE2 LYS 38 2HE LYS 38 0.440 -19.137 -1.632 306 HE3 LYS 38 1HE LYS 38 -1.167 -19.256 -2.349 307 HZ1 LYS 38 3HZ LYS 38 0.275 -20.273 -4.312 308 HZ2 LYS 38 1HZ LYS 38 -0.334 -21.219 -3.048 309 HZ3 LYS 38 2HZ LYS 38 1.274 -20.698 -3.017 310 H LEU 39 H LEU 39 -1.579 -13.185 -2.230 311 HA LEU 39 HA LEU 39 -4.124 -13.869 -3.062 312 HB2 LEU 39 2HB LEU 39 -3.141 -11.303 -1.826 313 HB3 LEU 39 1HB LEU 39 -4.833 -11.683 -2.043 314 HG LEU 39 HG LEU 39 -4.268 -12.126 0.233 315 HD11 LEU 39 1HD1 LEU 39 -4.785 -14.510 0.425 316 HD12 LEU 39 2HD1 LEU 39 -4.456 -14.712 -1.296 317 HD13 LEU 39 3HD1 LEU 39 -5.804 -13.703 -0.767 318 HD21 LEU 39 3HD2 LEU 39 -1.788 -12.420 -0.287 319 HD22 LEU 39 1HD2 LEU 39 -2.181 -14.108 -0.615 320 HD23 LEU 39 2HD2 LEU 39 -2.476 -13.429 0.984 321 H ALA 40 H ALA 40 -1.890 -11.521 -4.373 322 HA ALA 40 HA ALA 40 -3.529 -9.888 -5.864 323 HB1 ALA 40 1HB ALA 40 -0.959 -9.899 -5.590 324 HB2 ALA 40 2HB ALA 40 -1.658 -9.285 -7.088 325 HB3 ALA 40 3HB ALA 40 -0.976 -10.913 -7.034 326 H LYS 41 H LYS 41 -2.019 -12.908 -6.959 327 HA LYS 41 HA LYS 41 -3.725 -12.989 -9.298 328 HB2 LYS 41 2HB LYS 41 -2.442 -14.948 -9.938 329 HB3 LYS 41 1HB LYS 41 -1.353 -13.656 -9.452 330 HG2 LYS 41 2HG LYS 41 -0.362 -15.296 -8.286 331 HG3 LYS 41 1HG LYS 41 -1.627 -14.944 -7.107 332 HD2 LYS 41 2HD LYS 41 -1.790 -17.242 -7.316 333 HD3 LYS 41 1HD LYS 41 -3.005 -16.682 -8.469 334 HE2 LYS 41 2HE LYS 41 -0.183 -17.217 -9.328 335 HE3 LYS 41 1HE LYS 41 -1.356 -18.527 -9.200 336 HZ1 LYS 41 3HZ LYS 41 -1.235 -16.318 -11.105 337 HZ2 LYS 41 1HZ LYS 41 -2.773 -16.838 -10.624 338 HZ3 LYS 41 2HZ LYS 41 -1.697 -17.928 -11.344 339 H GLU 42 H GLU 42 -3.646 -14.303 -6.103 340 HA GLU 42 HA GLU 42 -5.186 -16.629 -6.597 341 HB2 GLU 42 2HB GLU 42 -3.935 -15.354 -4.365 342 HB3 GLU 42 1HB GLU 42 -5.562 -15.811 -3.919 343 HG2 GLU 42 2HG GLU 42 -3.521 -17.659 -5.117 344 HG3 GLU 42 1HG GLU 42 -3.904 -17.541 -3.400 345 H LEU 43 H LEU 43 -6.277 -13.735 -4.730 346 HA LEU 43 HA LEU 43 -8.937 -14.239 -5.897 347 HB2 LEU 43 2HB LEU 43 -9.717 -12.998 -3.714 348 HB3 LEU 43 1HB LEU 43 -9.442 -14.726 -3.750 349 HG LEU 43 HG LEU 43 -8.570 -13.516 -1.728 350 HD11 LEU 43 1HD1 LEU 43 -7.416 -15.589 -3.276 351 HD12 LEU 43 2HD1 LEU 43 -7.348 -15.343 -1.532 352 HD13 LEU 43 3HD1 LEU 43 -6.111 -14.637 -2.569 353 HD21 LEU 43 3HD2 LEU 43 -7.553 -11.720 -3.495 354 HD22 LEU 43 1HD2 LEU 43 -6.133 -12.702 -3.137 355 HD23 LEU 43 2HD2 LEU 43 -7.010 -11.912 -1.830 356 H SER 44 H SER 44 -6.449 -11.946 -5.596 357 HA SER 44 HA SER 44 -7.957 -9.568 -5.581 358 HB2 SER 44 2HB SER 44 -5.275 -10.199 -5.604 359 HB3 SER 44 1HB SER 44 -5.505 -9.387 -7.146 360 HG SER 44 HG SER 44 -5.565 -7.598 -6.078 361 H ILE 45 H ILE 45 -8.944 -8.418 -7.107 362 HA ILE 45 HA ILE 45 -9.228 -9.647 -9.742 363 HB ILE 45 HB ILE 45 -11.188 -8.219 -10.017 364 HG12 ILE 45 2HG1 ILE 45 -10.653 -7.200 -7.230 365 HG13 ILE 45 1HG1 ILE 45 -10.198 -6.307 -8.674 366 HG21 ILE 45 1HG2 ILE 45 -11.091 -10.390 -8.521 367 HG22 ILE 45 2HG2 ILE 45 -12.567 -9.434 -8.653 368 HG23 ILE 45 3HG2 ILE 45 -11.518 -9.247 -7.247 369 HD11 ILE 45 3HD1 ILE 45 -12.933 -6.961 -7.656 370 HD12 ILE 45 1HD1 ILE 45 -12.653 -6.459 -9.324 371 HD13 ILE 45 2HD1 ILE 45 -12.220 -5.384 -7.994 372 H ASP 46 H ASP 46 -7.616 -7.090 -8.219 373 HA ASP 46 HA ASP 46 -7.614 -4.981 -9.940 374 HB2 ASP 46 2HB ASP 46 -6.380 -4.830 -7.912 375 HB3 ASP 46 1HB ASP 46 -5.346 -6.180 -8.356 376 H GLY 47 H GLY 47 -6.841 -4.489 -11.903 377 HA2 GLY 47 2HA GLY 47 -6.245 -6.520 -13.745 378 HA3 GLY 47 1HA GLY 47 -6.037 -4.799 -14.026 379 H GLY 48 H GLY 48 -4.260 -6.065 -15.293 380 HA2 GLY 48 2HA GLY 48 -2.092 -7.276 -14.878 381 HA3 GLY 48 1HA GLY 48 -1.897 -5.633 -15.445 382 H SER 49 H SER 49 -2.384 -4.185 -13.104 383 HA SER 49 HA SER 49 0.080 -4.183 -11.861 384 HB2 SER 49 2HB SER 49 -2.611 -3.218 -10.901 385 HB3 SER 49 1HB SER 49 -1.137 -2.966 -9.968 386 HG SER 49 HG SER 49 -0.895 -1.277 -11.188 387 H ALA 50 H ALA 50 -2.626 -6.258 -11.272 388 HA ALA 50 HA ALA 50 -1.907 -7.115 -8.655 389 HB1 ALA 50 1HB ALA 50 -4.186 -7.345 -9.497 390 HB2 ALA 50 2HB ALA 50 -3.528 -8.908 -9.017 391 HB3 ALA 50 3HB ALA 50 -3.625 -8.481 -10.725 392 H LYS 51 H LYS 51 -0.776 -7.847 -11.809 393 HA LYS 51 HA LYS 51 0.304 -10.436 -11.168 394 HB2 LYS 51 2HB LYS 51 -0.012 -8.775 -13.524 395 HB3 LYS 51 1HB LYS 51 1.597 -9.475 -13.449 396 HG2 LYS 51 2HG LYS 51 0.852 -11.545 -13.883 397 HG3 LYS 51 1HG LYS 51 -0.573 -11.352 -12.859 398 HD2 LYS 51 2HD LYS 51 -1.196 -9.669 -14.870 399 HD3 LYS 51 1HD LYS 51 -0.226 -10.855 -15.746 400 HE2 LYS 51 2HE LYS 51 -1.648 -12.647 -14.971 401 HE3 LYS 51 1HE LYS 51 -2.564 -11.528 -13.963 402 HZ1 LYS 51 3HZ LYS 51 -2.817 -10.376 -16.349 403 HZ2 LYS 51 1HZ LYS 51 -3.919 -11.506 -15.740 404 HZ3 LYS 51 2HZ LYS 51 -2.715 -11.996 -16.823 405 H ARG 52 H ARG 52 1.116 -7.367 -10.322 406 HA ARG 52 HA ARG 52 4.003 -7.873 -10.279 407 HB2 ARG 52 2HB ARG 52 2.911 -5.248 -9.420 408 HB3 ARG 52 1HB ARG 52 4.346 -5.617 -10.356 409 HG2 ARG 52 2HG ARG 52 3.065 -5.926 -12.346 410 HG3 ARG 52 1HG ARG 52 1.552 -5.803 -11.447 411 HD2 ARG 52 2HD ARG 52 2.090 -3.732 -12.656 412 HD3 ARG 52 1HD ARG 52 2.023 -3.487 -10.913 413 HE ARG 52 HE ARG 52 4.396 -3.397 -12.607 414 HH11 ARG 52 1HH1 ARG 52 3.043 -3.262 -9.387 415 HH12 ARG 52 2HH1 ARG 52 4.447 -2.520 -8.699 416 HH21 ARG 52 1HH2 ARG 52 6.237 -2.424 -11.695 417 HH22 ARG 52 2HH2 ARG 52 6.258 -2.045 -10.005 418 H ASP 53 H ASP 53 1.922 -9.045 -8.494 419 HA ASP 53 HA ASP 53 1.629 -9.601 -6.331 420 HB2 ASP 53 2HB ASP 53 3.506 -9.775 -4.961 421 HB3 ASP 53 1HB ASP 53 4.200 -9.786 -6.576 422 H GLY 54 H GLY 54 0.883 -6.897 -7.374 423 HA2 GLY 54 2HA GLY 54 -0.120 -4.997 -6.579 424 HA3 GLY 54 1HA GLY 54 -0.343 -5.893 -5.085 425 H SER 55 H SER 55 2.893 -5.435 -6.183 426 HA SER 55 HA SER 55 3.685 -4.128 -3.830 427 HB2 SER 55 2HB SER 55 4.958 -4.799 -6.423 428 HB3 SER 55 1HB SER 55 5.711 -3.506 -5.491 429 HG SER 55 HG SER 55 5.723 -5.003 -3.698 430 H LEU 56 H LEU 56 2.274 -2.350 -3.576 431 HA LEU 56 HA LEU 56 1.928 -0.292 -5.452 432 HB2 LEU 56 2HB LEU 56 1.736 -0.268 -2.444 433 HB3 LEU 56 1HB LEU 56 1.296 1.094 -3.433 434 HG LEU 56 HG LEU 56 -0.050 -1.589 -3.269 435 HD11 LEU 56 1HD1 LEU 56 -1.104 -0.355 -1.700 436 HD12 LEU 56 2HD1 LEU 56 -1.992 0.244 -3.101 437 HD13 LEU 56 3HD1 LEU 56 -0.650 1.179 -2.442 438 HD21 LEU 56 3HD2 LEU 56 -1.571 -0.168 -5.022 439 HD22 LEU 56 1HD2 LEU 56 -0.418 -1.423 -5.476 440 HD23 LEU 56 2HD2 LEU 56 0.059 0.273 -5.530 441 H GLY 57 H GLY 57 4.536 -1.033 -3.304 442 HA2 GLY 57 2HA GLY 57 6.569 -0.034 -2.940 443 HA3 GLY 57 1HA GLY 57 6.360 0.680 -4.529 444 H TYR 58 H TYR 58 7.573 2.464 -3.486 445 HA TYR 58 HA TYR 58 6.475 3.980 -1.381 446 HB2 TYR 58 2HB TYR 58 8.044 5.504 -3.350 447 HB3 TYR 58 1HB TYR 58 8.250 5.373 -1.614 448 HD1 TYR 58 1HD TYR 58 9.156 3.968 -4.870 449 HD2 TYR 58 2HD TYR 58 9.666 3.632 -0.660 450 HE1 TYR 58 1HE TYR 58 11.095 2.499 -5.229 451 HE2 TYR 58 2HE TYR 58 11.607 2.162 -1.009 452 HH TYR 58 HH TYR 58 12.541 0.710 -2.689 453 H PHE 59 H PHE 59 4.775 5.212 -1.317 454 HA PHE 59 HA PHE 59 4.032 6.805 -3.649 455 HB2 PHE 59 2HB PHE 59 2.160 5.040 -2.091 456 HB3 PHE 59 1HB PHE 59 1.593 6.396 -3.041 457 HD1 PHE 59 1HD PHE 59 3.807 5.891 -5.241 458 HD2 PHE 59 2HD PHE 59 0.833 3.478 -3.383 459 HE1 PHE 59 1HE PHE 59 3.709 4.475 -7.247 460 HE2 PHE 59 2HE PHE 59 0.733 2.058 -5.386 461 HZ PHE 59 HZ PHE 59 2.170 2.553 -7.321 462 H GLY 60 H GLY 60 3.021 8.741 -3.126 463 HA2 GLY 60 2HA GLY 60 3.376 9.502 -0.301 464 HA3 GLY 60 1HA GLY 60 3.524 10.609 -1.652 465 H ARG 61 H ARG 61 2.000 11.754 -0.046 466 HA ARG 61 HA ARG 61 -0.734 10.832 -0.123 467 HB2 ARG 61 2HB ARG 61 -1.016 13.242 0.986 468 HB3 ARG 61 1HB ARG 61 -0.495 11.839 1.906 469 HG2 ARG 61 2HG ARG 61 0.858 13.753 2.463 470 HG3 ARG 61 1HG ARG 61 1.842 12.546 1.636 471 HD2 ARG 61 2HD ARG 61 1.803 13.793 -0.394 472 HD3 ARG 61 1HD ARG 61 0.571 14.888 0.233 473 HE ARG 61 HE ARG 61 3.025 14.874 1.744 474 HH11 ARG 61 1HH1 ARG 61 1.306 16.297 -0.942 475 HH12 ARG 61 2HH1 ARG 61 2.235 17.759 -0.921 476 HH21 ARG 61 1HH2 ARG 61 4.244 16.796 1.771 477 HH22 ARG 61 2HH2 ARG 61 3.902 18.043 0.618 478 H GLY 62 H GLY 62 -1.189 10.887 -2.315 479 HA2 GLY 62 2HA GLY 62 -2.624 12.788 -3.413 480 HA3 GLY 62 1HA GLY 62 -1.031 13.468 -3.670 481 H LYS 63 H LYS 63 -1.883 10.043 -3.835 482 HA LYS 63 HA LYS 63 -1.553 10.126 -6.749 483 HB2 LYS 63 2HB LYS 63 0.496 9.324 -5.188 484 HB3 LYS 63 1HB LYS 63 -0.361 7.799 -5.362 485 HG2 LYS 63 2HG LYS 63 0.372 7.522 -7.438 486 HG3 LYS 63 1HG LYS 63 -0.095 9.161 -7.898 487 HD2 LYS 63 2HD LYS 63 2.285 8.929 -6.169 488 HD3 LYS 63 1HD LYS 63 2.458 8.301 -7.808 489 HE2 LYS 63 2HE LYS 63 3.104 10.525 -8.016 490 HE3 LYS 63 1HE LYS 63 1.421 10.540 -8.543 491 HZ1 LYS 63 3HZ LYS 63 2.374 11.278 -5.829 492 HZ2 LYS 63 1HZ LYS 63 0.771 11.330 -6.366 493 HZ3 LYS 63 2HZ LYS 63 1.921 12.371 -7.036 494 H MET 64 H MET 64 -2.495 8.164 -3.942 495 HA MET 64 HA MET 64 -4.246 6.566 -5.651 496 HB2 MET 64 2HB MET 64 -4.611 5.288 -3.448 497 HB3 MET 64 1HB MET 64 -3.039 5.160 -4.225 498 HG2 MET 64 2HG MET 64 -3.267 7.341 -2.285 499 HG3 MET 64 1HG MET 64 -3.439 5.724 -1.606 500 HE1 MET 64 3HE MET 64 -0.854 5.331 -0.251 501 HE2 MET 64 1HE MET 64 -0.174 4.231 -1.450 502 HE3 MET 64 2HE MET 64 -1.909 4.231 -1.140 503 H VAL 65 H VAL 65 -6.413 5.959 -4.578 504 HA VAL 65 HA VAL 65 -8.047 8.202 -4.500 505 HB VAL 65 HB VAL 65 -9.813 6.737 -3.631 506 HG11 VAL 65 1HG1 VAL 65 -9.312 4.793 -5.388 507 HG12 VAL 65 2HG1 VAL 65 -8.077 5.948 -5.894 508 HG13 VAL 65 3HG1 VAL 65 -9.776 6.422 -5.876 509 HG21 VAL 65 3HG2 VAL 65 -8.135 4.330 -3.596 510 HG22 VAL 65 1HG2 VAL 65 -9.459 4.807 -2.532 511 HG23 VAL 65 2HG2 VAL 65 -7.843 5.459 -2.277 512 H LYS 66 H LYS 66 -9.333 9.071 -2.743 513 HA LYS 66 HA LYS 66 -7.799 9.960 -0.598 514 HB2 LYS 66 2HB LYS 66 -10.077 10.795 -1.666 515 HB3 LYS 66 1HB LYS 66 -10.761 9.901 -0.316 516 HG2 LYS 66 2HG LYS 66 -8.583 11.896 0.141 517 HG3 LYS 66 1HG LYS 66 -10.259 12.415 -0.042 518 HD2 LYS 66 2HD LYS 66 -9.384 10.316 1.930 519 HD3 LYS 66 1HD LYS 66 -9.493 12.032 2.328 520 HE2 LYS 66 2HE LYS 66 -11.869 10.859 1.039 521 HE3 LYS 66 1HE LYS 66 -11.512 10.271 2.661 522 HZ1 LYS 66 3HZ LYS 66 -11.227 12.893 3.008 523 HZ2 LYS 66 1HZ LYS 66 -12.688 12.076 3.251 524 HZ3 LYS 66 2HZ LYS 66 -12.407 12.892 1.796 525 HA PRO 67 HA PRO 67 -10.222 6.859 2.243 526 HB2 PRO 67 2HB PRO 67 -11.037 4.567 0.961 527 HB3 PRO 67 1HB PRO 67 -12.089 5.914 1.349 528 HG2 PRO 67 2HG PRO 67 -10.839 5.160 -1.230 529 HG3 PRO 67 1HG PRO 67 -12.393 5.950 -0.922 530 HD2 PRO 67 2HD PRO 67 -10.168 7.256 -1.815 531 HD3 PRO 67 1HD PRO 67 -11.456 8.030 -0.888 532 H PHE 68 H PHE 68 -8.557 5.464 -0.539 533 HA PHE 68 HA PHE 68 -7.227 3.445 1.005 534 HB2 PHE 68 2HB PHE 68 -7.756 3.351 -1.499 535 HB3 PHE 68 1HB PHE 68 -6.368 4.413 -1.718 536 HD1 PHE 68 1HD PHE 68 -4.106 3.624 -1.126 537 HD2 PHE 68 2HD PHE 68 -7.485 1.040 -1.056 538 HE1 PHE 68 1HE PHE 68 -2.608 1.673 -1.145 539 HE2 PHE 68 2HE PHE 68 -5.993 -0.918 -1.072 540 HZ PHE 68 HZ PHE 68 -3.551 -0.601 -1.117 541 H GLU 69 H GLU 69 -6.206 6.492 -0.515 542 HA GLU 69 HA GLU 69 -3.537 6.465 0.248 543 HB2 GLU 69 2HB GLU 69 -4.776 8.115 -1.277 544 HB3 GLU 69 1HB GLU 69 -5.206 8.972 0.196 545 HG2 GLU 69 2HG GLU 69 -2.462 8.572 0.385 546 HG3 GLU 69 1HG GLU 69 -2.748 8.994 -1.305 547 H ASP 70 H ASP 70 -6.409 7.269 2.066 548 HA ASP 70 HA ASP 70 -5.118 8.506 4.267 549 HB2 ASP 70 2HB ASP 70 -7.814 7.632 3.580 550 HB3 ASP 70 1HB ASP 70 -7.444 7.380 5.284 551 H ALA 71 H ALA 71 -6.366 5.204 3.800 552 HA ALA 71 HA ALA 71 -5.302 4.264 6.282 553 HB1 ALA 71 1HB ALA 71 -5.826 1.982 5.050 554 HB2 ALA 71 2HB ALA 71 -6.738 3.053 3.985 555 HB3 ALA 71 3HB ALA 71 -7.107 3.001 5.710 556 H ALA 72 H ALA 72 -3.870 4.936 3.314 557 HA ALA 72 HA ALA 72 -2.023 2.807 3.096 558 HB1 ALA 72 1HB ALA 72 -2.672 4.560 1.345 559 HB2 ALA 72 2HB ALA 72 -0.985 4.056 1.418 560 HB3 ALA 72 3HB ALA 72 -1.477 5.593 2.128 561 H PHE 73 H PHE 73 -1.828 5.988 4.652 562 HA PHE 73 HA PHE 73 0.788 5.256 5.760 563 HB2 PHE 73 2HB PHE 73 0.771 7.725 6.481 564 HB3 PHE 73 1HB PHE 73 0.957 7.372 4.767 565 HD1 PHE 73 1HD PHE 73 -1.868 7.854 7.169 566 HD2 PHE 73 2HD PHE 73 -0.188 8.763 3.365 567 HE1 PHE 73 1HE PHE 73 -3.793 9.302 6.668 568 HE2 PHE 73 2HE PHE 73 -2.109 10.212 2.858 569 HZ PHE 73 HZ PHE 73 -3.915 10.484 4.511 570 H ARG 74 H ARG 74 -2.053 4.446 6.676 571 HA ARG 74 HA ARG 74 -2.007 5.529 9.391 572 HB2 ARG 74 2HB ARG 74 -4.084 4.952 7.679 573 HB3 ARG 74 1HB ARG 74 -4.083 3.560 8.753 574 HG2 ARG 74 2HG ARG 74 -4.797 4.756 10.523 575 HG3 ARG 74 1HG ARG 74 -3.871 6.189 10.066 576 HD2 ARG 74 2HD ARG 74 -5.616 7.099 9.012 577 HD3 ARG 74 1HD ARG 74 -5.998 5.592 8.178 578 HE ARG 74 HE ARG 74 -7.238 6.616 10.543 579 HH11 ARG 74 1HH1 ARG 74 -6.431 3.691 8.821 580 HH12 ARG 74 2HH1 ARG 74 -7.707 2.767 9.538 581 HH21 ARG 74 1HH2 ARG 74 -8.919 5.404 11.487 582 HH22 ARG 74 2HH2 ARG 74 -9.120 3.740 11.052 583 H LEU 75 H LEU 75 -1.356 2.627 7.602 584 HA LEU 75 HA LEU 75 -1.007 1.122 10.095 585 HB2 LEU 75 2HB LEU 75 -1.296 0.269 7.230 586 HB3 LEU 75 1HB LEU 75 -0.741 -0.835 8.467 587 HG LEU 75 HG LEU 75 -3.460 0.227 7.961 588 HD11 LEU 75 1HD1 LEU 75 -3.140 -1.989 7.355 589 HD12 LEU 75 2HD1 LEU 75 -3.915 -2.098 8.935 590 HD13 LEU 75 3HD1 LEU 75 -2.173 -2.341 8.788 591 HD21 LEU 75 3HD2 LEU 75 -4.179 -0.174 10.253 592 HD22 LEU 75 1HD2 LEU 75 -2.990 1.127 10.195 593 HD23 LEU 75 2HD2 LEU 75 -2.511 -0.481 10.737 594 H GLN 76 H GLN 76 0.924 2.696 10.223 595 HA GLN 76 HA GLN 76 3.210 2.129 8.621 596 HB2 GLN 76 2HB GLN 76 2.703 3.671 11.133 597 HB3 GLN 76 1HB GLN 76 4.357 3.283 10.689 598 HG2 GLN 76 2HG GLN 76 3.408 4.260 8.347 599 HG3 GLN 76 1HG GLN 76 2.484 5.206 9.511 600 HE21 GLN 76 1HE2 GLN 76 3.642 7.042 8.712 601 HE22 GLN 76 2HE2 GLN 76 5.239 7.375 9.277 602 H VAL 77 H VAL 77 1.701 0.603 11.259 603 HA VAL 77 HA VAL 77 3.901 -0.661 12.496 604 HB VAL 77 HB VAL 77 1.862 -0.671 13.703 605 HG11 VAL 77 1HG1 VAL 77 -0.131 -1.999 12.716 606 HG12 VAL 77 2HG1 VAL 77 0.672 -1.724 11.169 607 HG13 VAL 77 3HG1 VAL 77 0.169 -0.353 12.158 608 HG21 VAL 77 3HG2 VAL 77 1.596 -3.491 12.939 609 HG22 VAL 77 1HG2 VAL 77 1.972 -2.767 14.504 610 HG23 VAL 77 2HG2 VAL 77 3.246 -2.987 13.307 611 H GLY 78 H GLY 78 2.126 -1.282 9.577 612 HA2 GLY 78 2HA GLY 78 2.981 -2.607 7.811 613 HA3 GLY 78 1HA GLY 78 3.945 -3.483 8.978 614 H GLU 79 H GLU 79 0.514 -2.783 8.535 615 HA GLU 79 HA GLU 79 -0.013 -5.667 8.606 616 HB2 GLU 79 2HB GLU 79 -0.247 -4.367 10.852 617 HB3 GLU 79 1HB GLU 79 -1.734 -3.781 10.152 618 HG2 GLU 79 2HG GLU 79 -1.509 -6.638 9.881 619 HG3 GLU 79 1HG GLU 79 -1.336 -6.137 11.564 620 H VAL 80 H VAL 80 -2.506 -5.976 8.238 621 HA VAL 80 HA VAL 80 -3.080 -4.561 5.791 622 HB VAL 80 HB VAL 80 -4.684 -6.743 7.135 623 HG11 VAL 80 1HG1 VAL 80 -5.481 -6.976 4.667 624 HG12 VAL 80 2HG1 VAL 80 -4.948 -5.302 4.530 625 HG13 VAL 80 3HG1 VAL 80 -6.192 -5.736 5.701 626 HG21 VAL 80 3HG2 VAL 80 -3.690 -8.228 5.439 627 HG22 VAL 80 1HG2 VAL 80 -2.475 -7.545 6.523 628 HG23 VAL 80 2HG2 VAL 80 -2.666 -6.897 4.894 629 H SER 81 H SER 81 -4.935 -3.294 5.406 630 HA SER 81 HA SER 81 -6.085 -2.171 7.864 631 HB2 SER 81 2HB SER 81 -6.697 -0.625 5.507 632 HB3 SER 81 1HB SER 81 -5.781 -0.156 6.939 633 HG SER 81 HG SER 81 -4.806 -1.478 4.628 634 H GLU 82 H GLU 82 -8.319 -1.414 7.765 635 HA GLU 82 HA GLU 82 -10.124 -3.423 7.290 636 HB2 GLU 82 2HB GLU 82 -10.679 -0.454 7.297 637 HB3 GLU 82 1HB GLU 82 -11.879 -1.718 7.524 638 HG2 GLU 82 2HG GLU 82 -11.514 -1.389 9.698 639 HG3 GLU 82 1HG GLU 82 -10.061 -2.352 9.439 640 HA PRO 83 HA PRO 83 -11.086 -3.618 3.019 641 HB2 PRO 83 2HB PRO 83 -13.822 -3.871 3.104 642 HB3 PRO 83 1HB PRO 83 -12.693 -5.196 3.389 643 HG2 PRO 83 2HG PRO 83 -14.154 -3.490 5.363 644 HG3 PRO 83 1HG PRO 83 -13.846 -5.238 5.399 645 HD2 PRO 83 2HD PRO 83 -12.405 -3.520 6.880 646 HD3 PRO 83 1HD PRO 83 -11.672 -4.966 6.152 647 H VAL 84 H VAL 84 -10.672 -1.707 2.073 648 HA VAL 84 HA VAL 84 -12.560 0.516 2.422 649 HB VAL 84 HB VAL 84 -9.843 0.470 1.093 650 HG11 VAL 84 1HG1 VAL 84 -11.571 2.841 1.799 651 HG12 VAL 84 2HG1 VAL 84 -11.379 2.172 0.178 652 HG13 VAL 84 3HG1 VAL 84 -9.992 2.872 1.012 653 HG21 VAL 84 3HG2 VAL 84 -9.272 1.935 3.109 654 HG22 VAL 84 1HG2 VAL 84 -9.425 0.197 3.372 655 HG23 VAL 84 2HG2 VAL 84 -10.739 1.279 3.838 656 H LYS 85 H LYS 85 -14.210 0.420 1.020 657 HA LYS 85 HA LYS 85 -13.786 -0.627 -1.661 658 HB2 LYS 85 2HB LYS 85 -15.770 -1.292 -0.271 659 HB3 LYS 85 1HB LYS 85 -16.360 0.356 -0.433 660 HG2 LYS 85 2HG LYS 85 -15.678 -1.097 -2.922 661 HG3 LYS 85 1HG LYS 85 -17.127 -1.599 -2.051 662 HD2 LYS 85 2HD LYS 85 -17.996 0.666 -2.140 663 HD3 LYS 85 1HD LYS 85 -16.519 1.223 -2.930 664 HE2 LYS 85 2HE LYS 85 -16.995 -0.256 -4.831 665 HE3 LYS 85 1HE LYS 85 -18.484 -0.778 -4.043 666 HZ1 LYS 85 3HZ LYS 85 -19.372 1.409 -4.219 667 HZ2 LYS 85 1HZ LYS 85 -18.788 0.979 -5.748 668 HZ3 LYS 85 2HZ LYS 85 -17.904 2.040 -4.771 669 H SER 86 H SER 86 -13.102 0.690 -3.177 670 HA SER 86 HA SER 86 -13.923 3.513 -3.099 671 HB2 SER 86 2HB SER 86 -11.474 2.105 -3.980 672 HB3 SER 86 1HB SER 86 -12.000 3.425 -5.024 673 HG SER 86 HG SER 86 -11.200 3.493 -2.330 674 H GLU 87 H GLU 87 -13.630 4.283 -5.669 675 HA GLU 87 HA GLU 87 -16.002 3.405 -6.887 676 HB2 GLU 87 2HB GLU 87 -15.076 4.630 -8.918 677 HB3 GLU 87 1HB GLU 87 -15.263 5.572 -7.446 678 HG2 GLU 87 2HG GLU 87 -12.649 4.401 -7.530 679 HG3 GLU 87 1HG GLU 87 -12.970 5.277 -9.025 680 H PHE 88 H PHE 88 -12.889 2.009 -6.855 681 HA PHE 88 HA PHE 88 -13.308 0.544 -9.339 682 HB2 PHE 88 2HB PHE 88 -11.004 1.141 -7.596 683 HB3 PHE 88 1HB PHE 88 -10.991 -0.456 -8.332 684 HD1 PHE 88 1HD PHE 88 -10.861 -0.711 -10.752 685 HD2 PHE 88 2HD PHE 88 -10.747 3.126 -8.914 686 HE1 PHE 88 1HE PHE 88 -10.011 0.263 -12.846 687 HE2 PHE 88 2HE PHE 88 -9.898 4.107 -11.004 688 HZ PHE 88 HZ PHE 88 -9.528 2.674 -12.974 689 H GLY 89 H GLY 89 -13.207 0.002 -5.858 690 HA2 GLY 89 2HA GLY 89 -14.921 -2.086 -5.662 691 HA3 GLY 89 1HA GLY 89 -13.424 -2.870 -6.136 692 H TYR 90 H TYR 90 -13.839 -3.950 -4.039 693 HA TYR 90 HA TYR 90 -13.355 -2.398 -1.664 694 HB2 TYR 90 2HB TYR 90 -14.322 -5.052 -2.336 695 HB3 TYR 90 1HB TYR 90 -13.191 -5.086 -0.999 696 HD1 TYR 90 1HD TYR 90 -16.432 -3.842 -2.162 697 HD2 TYR 90 2HD TYR 90 -13.761 -4.073 1.140 698 HE1 TYR 90 1HE TYR 90 -18.229 -3.086 -0.666 699 HE2 TYR 90 2HE TYR 90 -15.554 -3.314 2.647 700 HH TYR 90 HH TYR 90 -18.021 -3.287 2.704 701 H HIS 91 H HIS 91 -11.353 -1.579 -1.673 702 HA HIS 91 HA HIS 91 -9.062 -3.113 -2.480 703 HB2 HIS 91 2HB HIS 91 -9.321 -0.344 -1.311 704 HB3 HIS 91 1HB HIS 91 -7.811 -1.047 -1.870 705 HD1 HIS 91 1HD HIS 91 -11.265 -0.754 -3.466 706 HD2 HIS 91 2HD HIS 91 -7.262 -0.003 -4.289 707 HE1 HIS 91 1HE HIS 91 -11.218 0.141 -5.815 708 HE2 HIS 91 2HE HIS 91 -8.797 0.681 -6.255 709 H VAL 92 H VAL 92 -7.076 -3.005 -1.136 710 HA VAL 92 HA VAL 92 -7.434 -3.185 1.740 711 HB VAL 92 HB VAL 92 -6.251 -5.505 0.200 712 HG11 VAL 92 1HG1 VAL 92 -5.262 -5.155 2.400 713 HG12 VAL 92 2HG1 VAL 92 -6.236 -6.626 2.375 714 HG13 VAL 92 3HG1 VAL 92 -6.867 -5.163 3.133 715 HG21 VAL 92 3HG2 VAL 92 -8.301 -6.692 1.263 716 HG22 VAL 92 1HG2 VAL 92 -8.511 -5.764 -0.222 717 HG23 VAL 92 2HG2 VAL 92 -8.986 -5.067 1.328 718 H ILE 93 H ILE 93 -5.396 -2.974 2.864 719 HA ILE 93 HA ILE 93 -3.133 -2.309 1.097 720 HB ILE 93 HB ILE 93 -3.298 -0.733 3.578 721 HG12 ILE 93 2HG1 ILE 93 -5.282 -0.374 1.329 722 HG13 ILE 93 1HG1 ILE 93 -5.628 -0.586 3.039 723 HG21 ILE 93 1HG2 ILE 93 -1.895 -0.683 1.174 724 HG22 ILE 93 2HG2 ILE 93 -1.854 0.527 2.457 725 HG23 ILE 93 3HG2 ILE 93 -2.969 0.714 1.104 726 HD11 ILE 93 3HD1 ILE 93 -4.401 1.820 1.716 727 HD12 ILE 93 1HD1 ILE 93 -4.536 1.607 3.461 728 HD13 ILE 93 2HD1 ILE 93 -5.992 1.697 2.468 729 H LYS 94 H LYS 94 -1.367 -3.400 1.547 730 HA LYS 94 HA LYS 94 -0.835 -4.187 4.331 731 HB2 LYS 94 2HB LYS 94 -1.634 -6.064 2.710 732 HB3 LYS 94 1HB LYS 94 -0.016 -5.944 2.038 733 HG2 LYS 94 2HG LYS 94 -0.698 -6.571 4.901 734 HG3 LYS 94 1HG LYS 94 -0.147 -7.721 3.681 735 HD2 LYS 94 2HD LYS 94 1.941 -6.351 3.462 736 HD3 LYS 94 1HD LYS 94 1.392 -5.405 4.847 737 HE2 LYS 94 2HE LYS 94 1.591 -7.213 6.311 738 HE3 LYS 94 1HE LYS 94 1.618 -8.391 4.999 739 HZ1 LYS 94 3HZ LYS 94 3.769 -6.391 5.277 740 HZ2 LYS 94 1HZ LYS 94 3.805 -7.884 4.483 741 HZ3 LYS 94 2HZ LYS 94 3.803 -7.824 6.173 742 H ARG 95 H ARG 95 0.860 -3.020 4.931 743 HA ARG 95 HA ARG 95 2.654 -1.717 3.277 744 HB2 ARG 95 2HB ARG 95 2.159 -1.395 5.788 745 HB3 ARG 95 1HB ARG 95 3.412 -2.604 6.033 746 HG2 ARG 95 2HG ARG 95 4.000 -0.248 4.312 747 HG3 ARG 95 1HG ARG 95 3.988 -0.057 6.065 748 HD2 ARG 95 2HD ARG 95 5.438 -2.399 5.565 749 HD3 ARG 95 1HD ARG 95 5.990 -1.233 4.364 750 HE ARG 95 HE ARG 95 6.056 0.199 6.641 751 HH11 ARG 95 1HH1 ARG 95 7.322 -2.945 5.807 752 HH12 ARG 95 2HH1 ARG 95 8.655 -2.837 6.906 753 HH21 ARG 95 1HH2 ARG 95 7.809 0.342 8.087 754 HH22 ARG 95 2HH2 ARG 95 8.932 -0.972 8.201 755 H LEU 96 H LEU 96 4.584 -2.078 2.479 756 HA LEU 96 HA LEU 96 6.245 -4.274 3.126 757 HB2 LEU 96 2HB LEU 96 5.833 -5.682 1.437 758 HB3 LEU 96 1HB LEU 96 4.266 -4.919 1.394 759 HG LEU 96 HG LEU 96 5.324 -3.325 -0.348 760 HD11 LEU 96 1HD1 LEU 96 7.423 -5.389 -0.022 761 HD12 LEU 96 2HD1 LEU 96 7.566 -3.684 -0.451 762 HD13 LEU 96 3HD1 LEU 96 7.054 -4.859 -1.663 763 HD21 LEU 96 3HD2 LEU 96 4.215 -4.503 -1.885 764 HD22 LEU 96 1HD2 LEU 96 3.817 -5.583 -0.548 765 HD23 LEU 96 2HD2 LEU 96 5.176 -5.956 -1.610 766 H GLY 97 H GLY 97 8.166 -3.311 3.076 767 HA2 GLY 97 2HA GLY 97 9.030 -1.876 0.723 768 HA3 GLY 97 1HA GLY 97 8.891 -0.890 2.166 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 23.440 15.273 8.625 2 H2 GLY 1 2HT GLY 1 23.485 15.353 6.935 3 H3 GLY 1 3HT GLY 1 24.816 14.753 7.789 4 HA2 GLY 1 1HA GLY 1 23.947 12.719 8.044 5 HA3 GLY 1 2HA GLY 1 22.337 13.368 8.321 6 HA PRO 2 HA PRO 2 22.192 11.059 4.289 7 HB2 PRO 2 2HB PRO 2 19.325 11.273 5.079 8 HB3 PRO 2 1HB PRO 2 20.212 9.892 4.426 9 HG2 PRO 2 2HG PRO 2 19.579 9.998 7.009 10 HG3 PRO 2 1HG PRO 2 21.143 9.351 6.480 11 HD2 PRO 2 2HD PRO 2 20.500 11.990 7.718 12 HD3 PRO 2 1HD PRO 2 21.937 10.966 7.921 13 H MET 3 H MET 3 22.016 12.050 2.377 14 HA MET 3 HA MET 3 20.268 14.407 2.157 15 HB2 MET 3 2HB MET 3 22.589 15.166 2.414 16 HB3 MET 3 1HB MET 3 23.073 14.163 1.053 17 HG2 MET 3 2HG MET 3 22.275 15.610 -0.473 18 HG3 MET 3 1HG MET 3 20.900 16.076 0.525 19 HE1 MET 3 3HE MET 3 22.398 19.558 0.025 20 HE2 MET 3 1HE MET 3 20.910 18.784 0.569 21 HE3 MET 3 2HE MET 3 21.676 18.264 -0.932 22 H GLY 4 H GLY 4 18.921 14.336 0.475 23 HA2 GLY 4 2HA GLY 4 18.351 13.971 -1.793 24 HA3 GLY 4 1HA GLY 4 19.674 12.821 -1.915 25 H SER 5 H SER 5 19.140 11.156 0.225 26 HA SER 5 HA SER 5 17.036 9.555 -0.862 27 HB2 SER 5 2HB SER 5 19.093 9.264 1.246 28 HB3 SER 5 1HB SER 5 17.627 8.309 1.469 29 HG SER 5 HG SER 5 19.405 8.284 -0.736 30 H MET 6 H MET 6 14.949 9.599 -0.361 31 HA MET 6 HA MET 6 14.139 10.590 2.283 32 HB2 MET 6 2HB MET 6 13.903 12.356 0.480 33 HB3 MET 6 1HB MET 6 12.684 11.323 -0.258 34 HG2 MET 6 2HG MET 6 11.121 11.877 1.241 35 HG3 MET 6 1HG MET 6 12.256 11.847 2.589 36 HE1 MET 6 3HE MET 6 10.567 15.385 2.745 37 HE2 MET 6 1HE MET 6 10.403 13.688 3.202 38 HE3 MET 6 2HE MET 6 9.760 14.254 1.659 39 H ALA 7 H ALA 7 12.112 9.809 3.034 40 HA ALA 7 HA ALA 7 11.005 7.539 1.527 41 HB1 ALA 7 1HB ALA 7 12.558 6.717 3.270 42 HB2 ALA 7 2HB ALA 7 10.893 6.186 3.517 43 HB3 ALA 7 3HB ALA 7 11.553 7.499 4.492 44 H ASP 8 H ASP 8 10.085 10.313 1.910 45 HA ASP 8 HA ASP 8 8.052 10.523 3.806 46 HB2 ASP 8 2HB ASP 8 8.978 12.033 1.562 47 HB3 ASP 8 1HB ASP 8 7.224 11.917 1.467 48 H LYS 9 H LYS 9 8.187 8.684 0.891 49 HA LYS 9 HA LYS 9 5.357 8.412 0.586 50 HB2 LYS 9 2HB LYS 9 7.741 7.130 -0.711 51 HB3 LYS 9 1HB LYS 9 6.092 6.675 -1.097 52 HG2 LYS 9 2HG LYS 9 6.656 8.174 -2.743 53 HG3 LYS 9 1HG LYS 9 5.727 9.154 -1.615 54 HD2 LYS 9 2HD LYS 9 8.677 9.003 -1.267 55 HD3 LYS 9 1HD LYS 9 8.058 9.946 -2.622 56 HE2 LYS 9 2HE LYS 9 6.639 10.472 -0.143 57 HE3 LYS 9 1HE LYS 9 8.363 10.813 -0.027 58 HZ1 LYS 9 3HZ LYS 9 6.944 11.794 -2.385 59 HZ2 LYS 9 1HZ LYS 9 8.233 12.485 -1.535 60 HZ3 LYS 9 2HZ LYS 9 6.661 12.589 -0.919 61 H ILE 10 H ILE 10 4.433 6.214 0.370 62 HA ILE 10 HA ILE 10 5.313 4.527 2.618 63 HB ILE 10 HB ILE 10 2.601 4.137 1.475 64 HG12 ILE 10 2HG1 ILE 10 3.135 6.366 3.448 65 HG13 ILE 10 1HG1 ILE 10 2.901 6.635 1.723 66 HG21 ILE 10 1HG2 ILE 10 3.760 2.868 3.392 67 HG22 ILE 10 2HG2 ILE 10 2.069 3.336 3.571 68 HG23 ILE 10 3HG2 ILE 10 3.334 4.274 4.370 69 HD11 ILE 10 3HD1 ILE 10 0.759 5.048 2.546 70 HD12 ILE 10 1HD1 ILE 10 0.731 6.754 2.100 71 HD13 ILE 10 2HD1 ILE 10 0.958 6.286 3.787 72 H LYS 11 H LYS 11 5.742 2.478 2.245 73 HA LYS 11 HA LYS 11 5.519 1.551 -0.531 74 HB2 LYS 11 2HB LYS 11 7.349 0.357 1.548 75 HB3 LYS 11 1HB LYS 11 7.455 0.252 -0.207 76 HG2 LYS 11 2HG LYS 11 8.592 2.164 -0.388 77 HG3 LYS 11 1HG LYS 11 7.595 3.009 0.806 78 HD2 LYS 11 2HD LYS 11 9.531 2.923 1.992 79 HD3 LYS 11 1HD LYS 11 8.915 1.327 2.429 80 HE2 LYS 11 2HE LYS 11 10.607 0.306 1.402 81 HE3 LYS 11 1HE LYS 11 10.365 1.246 -0.071 82 HZ1 LYS 11 3HZ LYS 11 12.009 1.953 2.290 83 HZ2 LYS 11 1HZ LYS 11 11.572 3.092 1.116 84 HZ3 LYS 11 2HZ LYS 11 12.514 1.754 0.689 85 H CYS 12 H CYS 12 3.428 0.781 -0.384 86 HA CYS 12 HA CYS 12 3.149 -1.645 1.227 87 HB2 CYS 12 2HB CYS 12 0.855 0.261 0.852 88 HB3 CYS 12 1HB CYS 12 0.969 -1.092 1.961 89 HG CYS 12 HG CYS 12 1.825 0.456 3.631 90 H SER 13 H SER 13 0.890 -2.715 0.455 91 HA SER 13 HA SER 13 0.840 -2.674 -2.485 92 HB2 SER 13 2HB SER 13 1.301 -5.000 -0.665 93 HB3 SER 13 1HB SER 13 0.372 -5.262 -2.143 94 HG SER 13 HG SER 13 2.225 -5.344 -3.104 95 H HIS 14 H HIS 14 -1.181 -3.721 -3.377 96 HA HIS 14 HA HIS 14 -3.411 -3.519 -1.476 97 HB2 HIS 14 2HB HIS 14 -4.743 -2.258 -3.053 98 HB3 HIS 14 1HB HIS 14 -3.227 -1.415 -2.762 99 HD1 HIS 14 1HD HIS 14 -2.269 -4.000 -4.947 100 HD2 HIS 14 2HD HIS 14 -4.391 -0.463 -5.450 101 HE1 HIS 14 1HE HIS 14 -2.127 -3.475 -7.399 102 HE2 HIS 14 2HE HIS 14 -3.348 -1.289 -7.667 103 H ILE 15 H ILE 15 -5.364 -4.527 -2.052 104 HA ILE 15 HA ILE 15 -5.260 -6.555 -4.165 105 HB ILE 15 HB ILE 15 -5.409 -7.073 -1.231 106 HG12 ILE 15 2HG1 ILE 15 -4.277 -9.204 -2.082 107 HG13 ILE 15 1HG1 ILE 15 -4.195 -8.401 -3.642 108 HG21 ILE 15 1HG2 ILE 15 -6.551 -9.224 -1.588 109 HG22 ILE 15 2HG2 ILE 15 -6.875 -8.760 -3.256 110 HG23 ILE 15 3HG2 ILE 15 -7.596 -7.846 -1.932 111 HD11 ILE 15 3HD1 ILE 15 -3.209 -6.648 -1.629 112 HD12 ILE 15 1HD1 ILE 15 -2.367 -7.340 -3.014 113 HD13 ILE 15 2HD1 ILE 15 -2.413 -8.214 -1.482 114 H LEU 16 H LEU 16 -7.073 -6.357 -5.326 115 HA LEU 16 HA LEU 16 -9.442 -5.176 -4.055 116 HB2 LEU 16 2HB LEU 16 -8.212 -4.947 -6.674 117 HB3 LEU 16 1HB LEU 16 -9.918 -5.326 -6.790 118 HG LEU 16 HG LEU 16 -8.880 -3.037 -5.138 119 HD11 LEU 16 1HD1 LEU 16 -9.843 -1.719 -7.164 120 HD12 LEU 16 2HD1 LEU 16 -9.507 -3.204 -8.051 121 HD13 LEU 16 3HD1 LEU 16 -8.199 -2.352 -7.232 122 HD21 LEU 16 3HD2 LEU 16 -11.224 -2.244 -5.461 123 HD22 LEU 16 1HD2 LEU 16 -11.079 -3.721 -4.506 124 HD23 LEU 16 2HD2 LEU 16 -11.594 -3.806 -6.191 125 H VAL 17 H VAL 17 -11.225 -6.325 -3.723 126 HA VAL 17 HA VAL 17 -11.762 -8.679 -5.373 127 HB VAL 17 HB VAL 17 -12.300 -10.086 -3.492 128 HG11 VAL 17 1HG1 VAL 17 -10.187 -10.766 -3.323 129 HG12 VAL 17 2HG1 VAL 17 -9.718 -9.318 -2.433 130 HG13 VAL 17 3HG1 VAL 17 -9.729 -9.306 -4.196 131 HG21 VAL 17 3HG2 VAL 17 -11.380 -9.056 -1.186 132 HG22 VAL 17 1HG2 VAL 17 -13.063 -8.935 -1.699 133 HG23 VAL 17 2HG2 VAL 17 -11.962 -7.580 -1.961 134 H LYS 18 H LYS 18 -13.890 -8.863 -5.904 135 HA LYS 18 HA LYS 18 -15.623 -6.705 -5.219 136 HB2 LYS 18 2HB LYS 18 -17.336 -8.066 -6.504 137 HB3 LYS 18 1HB LYS 18 -15.889 -7.616 -7.393 138 HG2 LYS 18 2HG LYS 18 -15.407 -10.126 -6.173 139 HG3 LYS 18 1HG LYS 18 -16.984 -10.198 -6.959 140 HD2 LYS 18 2HD LYS 18 -14.744 -8.964 -8.469 141 HD3 LYS 18 1HD LYS 18 -14.724 -10.716 -8.261 142 HE2 LYS 18 2HE LYS 18 -17.202 -9.330 -9.204 143 HE3 LYS 18 1HE LYS 18 -15.897 -9.688 -10.334 144 HZ1 LYS 18 3HZ LYS 18 -17.238 -11.540 -10.488 145 HZ2 LYS 18 1HZ LYS 18 -17.613 -11.556 -8.837 146 HZ3 LYS 18 2HZ LYS 18 -16.083 -12.050 -9.362 147 H LYS 19 H LYS 19 -15.344 -10.059 -4.182 148 HA LYS 19 HA LYS 19 -17.732 -10.028 -2.633 149 HB2 LYS 19 2HB LYS 19 -16.475 -12.075 -1.547 150 HB3 LYS 19 1HB LYS 19 -17.138 -12.170 -3.168 151 HG2 LYS 19 2HG LYS 19 -15.125 -12.292 -4.163 152 HG3 LYS 19 1HG LYS 19 -14.338 -11.282 -2.953 153 HD2 LYS 19 2HD LYS 19 -13.487 -13.148 -2.074 154 HD3 LYS 19 1HD LYS 19 -15.123 -13.584 -1.579 155 HE2 LYS 19 2HE LYS 19 -15.470 -14.772 -3.660 156 HE3 LYS 19 1HE LYS 19 -13.888 -14.261 -4.247 157 HZ1 LYS 19 3HZ LYS 19 -13.261 -16.243 -3.438 158 HZ2 LYS 19 1HZ LYS 19 -14.577 -16.370 -2.382 159 HZ3 LYS 19 2HZ LYS 19 -13.230 -15.445 -1.948 160 H GLN 20 H GLN 20 -17.398 -8.000 -1.624 161 HA GLN 20 HA GLN 20 -15.355 -7.110 -0.096 162 HB2 GLN 20 2HB GLN 20 -17.148 -5.934 1.287 163 HB3 GLN 20 1HB GLN 20 -17.146 -5.641 -0.445 164 HG2 GLN 20 2HG GLN 20 -19.288 -6.181 -0.457 165 HG3 GLN 20 1HG GLN 20 -18.809 -7.841 -0.104 166 HE21 GLN 20 1HE2 GLN 20 -19.192 -8.681 1.882 167 HE22 GLN 20 2HE2 GLN 20 -20.027 -7.844 3.140 168 H GLY 21 H GLY 21 -17.515 -9.700 0.793 169 HA2 GLY 21 2HA GLY 21 -17.015 -9.568 3.586 170 HA3 GLY 21 1HA GLY 21 -17.590 -10.985 2.717 171 H GLU 22 H GLU 22 -15.318 -10.952 0.883 172 HA GLU 22 HA GLU 22 -13.536 -12.559 2.408 173 HB2 GLU 22 2HB GLU 22 -12.420 -12.961 0.388 174 HB3 GLU 22 1HB GLU 22 -14.096 -12.748 -0.077 175 HG2 GLU 22 2HG GLU 22 -13.549 -11.121 -1.451 176 HG3 GLU 22 1HG GLU 22 -12.715 -10.248 -0.182 177 H ALA 23 H ALA 23 -13.469 -9.290 1.136 178 HA ALA 23 HA ALA 23 -10.846 -8.567 1.565 179 HB1 ALA 23 1HB ALA 23 -13.339 -6.904 1.949 180 HB2 ALA 23 2HB ALA 23 -12.390 -7.067 0.470 181 HB3 ALA 23 3HB ALA 23 -11.702 -6.252 1.876 182 H LEU 24 H LEU 24 -13.505 -8.826 3.852 183 HA LEU 24 HA LEU 24 -12.070 -7.771 6.092 184 HB2 LEU 24 2HB LEU 24 -14.675 -8.099 5.615 185 HB3 LEU 24 1HB LEU 24 -14.386 -9.606 6.464 186 HG LEU 24 HG LEU 24 -15.220 -7.746 7.906 187 HD11 LEU 24 1HD1 LEU 24 -13.607 -9.740 8.543 188 HD12 LEU 24 2HD1 LEU 24 -14.067 -8.505 9.716 189 HD13 LEU 24 3HD1 LEU 24 -12.505 -8.409 8.902 190 HD21 LEU 24 3HD2 LEU 24 -14.247 -5.747 7.955 191 HD22 LEU 24 1HD2 LEU 24 -13.262 -6.264 6.587 192 HD23 LEU 24 2HD2 LEU 24 -12.658 -6.459 8.233 193 H ALA 25 H ALA 25 -12.464 -10.925 4.666 194 HA ALA 25 HA ALA 25 -11.414 -12.318 6.970 195 HB1 ALA 25 1HB ALA 25 -12.998 -13.570 5.800 196 HB2 ALA 25 2HB ALA 25 -11.458 -14.282 5.322 197 HB3 ALA 25 3HB ALA 25 -12.292 -13.172 4.233 198 H VAL 26 H VAL 26 -10.291 -11.477 3.720 199 HA VAL 26 HA VAL 26 -7.864 -12.808 3.720 200 HB VAL 26 HB VAL 26 -7.183 -11.476 1.926 201 HG11 VAL 26 1HG1 VAL 26 -9.962 -10.854 1.343 202 HG12 VAL 26 2HG1 VAL 26 -9.744 -12.486 1.975 203 HG13 VAL 26 3HG1 VAL 26 -8.856 -11.970 0.541 204 HG21 VAL 26 3HG2 VAL 26 -7.202 -9.305 2.940 205 HG22 VAL 26 1HG2 VAL 26 -8.965 -9.301 3.011 206 HG23 VAL 26 2HG2 VAL 26 -8.147 -9.228 1.451 207 H GLN 27 H GLN 27 -8.666 -9.627 5.053 208 HA GLN 27 HA GLN 27 -6.112 -8.738 5.632 209 HB2 GLN 27 2HB GLN 27 -7.097 -7.254 7.233 210 HB3 GLN 27 1HB GLN 27 -8.230 -7.425 5.899 211 HG2 GLN 27 2HG GLN 27 -9.592 -8.917 7.184 212 HG3 GLN 27 1HG GLN 27 -8.432 -8.906 8.504 213 HE21 GLN 27 1HE2 GLN 27 -9.683 -6.259 6.523 214 HE22 GLN 27 2HE2 GLN 27 -10.352 -5.358 7.837 215 H GLU 28 H GLU 28 -8.253 -10.662 7.742 216 HA GLU 28 HA GLU 28 -6.238 -11.047 9.729 217 HB2 GLU 28 2HB GLU 28 -8.194 -11.347 10.807 218 HB3 GLU 28 1HB GLU 28 -9.048 -11.769 9.333 219 HG2 GLU 28 2HG GLU 28 -8.412 -14.040 9.508 220 HG3 GLU 28 1HG GLU 28 -7.249 -13.688 10.785 221 H ARG 29 H ARG 29 -7.317 -12.770 6.904 222 HA ARG 29 HA ARG 29 -5.985 -15.229 7.505 223 HB2 ARG 29 2HB ARG 29 -7.952 -15.201 6.092 224 HB3 ARG 29 1HB ARG 29 -7.158 -14.131 4.950 225 HG2 ARG 29 2HG ARG 29 -6.816 -16.044 3.837 226 HG3 ARG 29 1HG ARG 29 -5.427 -16.175 4.918 227 HD2 ARG 29 2HD ARG 29 -6.589 -18.271 4.918 228 HD3 ARG 29 1HD ARG 29 -6.839 -17.498 6.479 229 HE ARG 29 HE ARG 29 -8.832 -17.855 4.364 230 HH11 ARG 29 1HH1 ARG 29 -8.053 -16.713 7.576 231 HH12 ARG 29 2HH1 ARG 29 -9.709 -16.594 8.064 232 HH21 ARG 29 1HH2 ARG 29 -11.002 -17.693 5.013 233 HH22 ARG 29 2HH2 ARG 29 -11.380 -17.149 6.613 234 H LEU 30 H LEU 30 -5.080 -12.257 5.971 235 HA LEU 30 HA LEU 30 -2.984 -13.104 4.348 236 HB2 LEU 30 2HB LEU 30 -4.090 -10.786 4.619 237 HB3 LEU 30 1HB LEU 30 -2.906 -10.527 5.882 238 HG LEU 30 HG LEU 30 -2.152 -9.542 3.804 239 HD11 LEU 30 1HD1 LEU 30 -0.405 -11.932 4.006 240 HD12 LEU 30 2HD1 LEU 30 -0.632 -10.948 5.452 241 HD13 LEU 30 3HD1 LEU 30 0.014 -10.220 3.981 242 HD21 LEU 30 3HD2 LEU 30 -2.764 -10.501 1.893 243 HD22 LEU 30 1HD2 LEU 30 -3.135 -12.026 2.698 244 HD23 LEU 30 2HD2 LEU 30 -1.489 -11.688 2.166 245 H LYS 31 H LYS 31 -2.909 -12.085 7.756 246 HA LYS 31 HA LYS 31 -0.113 -12.553 8.053 247 HB2 LYS 31 2HB LYS 31 -0.660 -12.400 10.523 248 HB3 LYS 31 1HB LYS 31 -1.073 -10.999 9.548 249 HG2 LYS 31 2HG LYS 31 -3.259 -12.890 9.713 250 HG3 LYS 31 1HG LYS 31 -2.731 -12.333 11.301 251 HD2 LYS 31 2HD LYS 31 -2.802 -10.068 9.613 252 HD3 LYS 31 1HD LYS 31 -4.295 -10.964 9.336 253 HE2 LYS 31 2HE LYS 31 -4.910 -10.840 11.609 254 HE3 LYS 31 1HE LYS 31 -3.297 -10.326 12.096 255 HZ1 LYS 31 3HZ LYS 31 -4.685 -8.605 10.206 256 HZ2 LYS 31 1HZ LYS 31 -3.701 -8.198 11.520 257 HZ3 LYS 31 2HZ LYS 31 -5.313 -8.643 11.776 258 H ALA 32 H ALA 32 -2.706 -14.669 7.790 259 HA ALA 32 HA ALA 32 -2.192 -16.634 9.676 260 HB1 ALA 32 1HB ALA 32 -4.170 -16.564 8.194 261 HB2 ALA 32 2HB ALA 32 -3.395 -18.148 8.232 262 HB3 ALA 32 3HB ALA 32 -3.149 -17.079 6.851 263 H GLY 33 H GLY 33 -0.369 -15.748 6.893 264 HA2 GLY 33 2HA GLY 33 1.990 -16.713 7.232 265 HA3 GLY 33 1HA GLY 33 1.150 -18.234 6.999 266 H GLU 34 H GLU 34 -0.599 -16.416 5.077 267 HA GLU 34 HA GLU 34 0.807 -17.266 2.713 268 HB2 GLU 34 2HB GLU 34 -1.137 -16.201 1.526 269 HB3 GLU 34 1HB GLU 34 -1.567 -17.470 2.665 270 HG2 GLU 34 2HG GLU 34 -2.311 -15.879 4.271 271 HG3 GLU 34 1HG GLU 34 -1.660 -14.539 3.328 272 H LYS 35 H LYS 35 1.460 -15.900 0.981 273 HA LYS 35 HA LYS 35 2.656 -13.432 1.914 274 HB2 LYS 35 2HB LYS 35 3.569 -15.334 0.241 275 HB3 LYS 35 1HB LYS 35 2.889 -14.216 -0.934 276 HG2 LYS 35 2HG LYS 35 4.979 -13.360 -0.817 277 HG3 LYS 35 1HG LYS 35 4.258 -12.466 0.523 278 HD2 LYS 35 2HD LYS 35 5.514 -15.126 1.037 279 HD3 LYS 35 1HD LYS 35 6.542 -13.706 0.836 280 HE2 LYS 35 2HE LYS 35 4.652 -12.773 2.560 281 HE3 LYS 35 1HE LYS 35 4.771 -14.463 3.051 282 HZ1 LYS 35 3HZ LYS 35 7.347 -13.811 2.838 283 HZ2 LYS 35 1HZ LYS 35 6.467 -13.683 4.277 284 HZ3 LYS 35 2HZ LYS 35 6.707 -12.319 3.308 285 H PHE 36 H PHE 36 2.068 -11.409 1.367 286 HA PHE 36 HA PHE 36 -0.513 -10.815 0.577 287 HB2 PHE 36 2HB PHE 36 1.329 -9.320 1.655 288 HB3 PHE 36 1HB PHE 36 1.728 -8.912 -0.011 289 HD1 PHE 36 1HD PHE 36 -1.208 -9.121 2.254 290 HD2 PHE 36 2HD PHE 36 0.664 -7.126 -0.994 291 HE1 PHE 36 1HE PHE 36 -3.025 -7.465 2.245 292 HE2 PHE 36 2HE PHE 36 -1.148 -5.464 -1.012 293 HZ PHE 36 HZ PHE 36 -2.994 -5.625 0.605 294 H GLY 37 H GLY 37 2.440 -10.802 -1.402 295 HA2 GLY 37 2HA GLY 37 1.315 -9.927 -3.796 296 HA3 GLY 37 1HA GLY 37 2.732 -10.957 -3.673 297 H LYS 38 H LYS 38 1.335 -13.125 -2.351 298 HA LYS 38 HA LYS 38 0.552 -14.630 -4.571 299 HB2 LYS 38 2HB LYS 38 1.325 -15.575 -2.408 300 HB3 LYS 38 1HB LYS 38 -0.202 -15.095 -1.680 301 HG2 LYS 38 2HG LYS 38 -1.004 -17.078 -2.248 302 HG3 LYS 38 1HG LYS 38 -0.916 -16.566 -3.933 303 HD2 LYS 38 2HD LYS 38 0.457 -18.317 -4.199 304 HD3 LYS 38 1HD LYS 38 1.668 -17.300 -3.418 305 HE2 LYS 38 2HE LYS 38 0.492 -18.291 -1.239 306 HE3 LYS 38 1HE LYS 38 0.146 -19.610 -2.355 307 HZ1 LYS 38 3HZ LYS 38 2.881 -18.580 -2.282 308 HZ2 LYS 38 1HZ LYS 38 2.327 -20.161 -2.526 309 HZ3 LYS 38 2HZ LYS 38 2.365 -19.509 -0.966 310 H LEU 39 H LEU 39 -1.440 -13.106 -2.055 311 HA LEU 39 HA LEU 39 -3.951 -13.869 -2.925 312 HB2 LEU 39 2HB LEU 39 -3.077 -11.289 -1.636 313 HB3 LEU 39 1HB LEU 39 -4.752 -11.708 -1.900 314 HG LEU 39 HG LEU 39 -4.152 -12.140 0.399 315 HD11 LEU 39 1HD1 LEU 39 -4.412 -14.759 -1.058 316 HD12 LEU 39 2HD1 LEU 39 -5.745 -13.645 -0.743 317 HD13 LEU 39 3HD1 LEU 39 -4.896 -14.405 0.601 318 HD21 LEU 39 3HD2 LEU 39 -2.154 -14.178 -0.540 319 HD22 LEU 39 1HD2 LEU 39 -2.432 -13.589 1.099 320 HD23 LEU 39 2HD2 LEU 39 -1.706 -12.528 -0.109 321 H ALA 40 H ALA 40 -1.835 -11.347 -4.144 322 HA ALA 40 HA ALA 40 -3.569 -9.812 -5.637 323 HB1 ALA 40 1HB ALA 40 -1.729 -8.955 -6.674 324 HB2 ALA 40 2HB ALA 40 -0.980 -10.536 -6.892 325 HB3 ALA 40 3HB ALA 40 -0.944 -9.753 -5.311 326 H LYS 41 H LYS 41 -1.811 -12.694 -6.725 327 HA LYS 41 HA LYS 41 -3.421 -12.869 -9.124 328 HB2 LYS 41 2HB LYS 41 -1.999 -14.808 -9.660 329 HB3 LYS 41 1HB LYS 41 -1.052 -13.374 -9.292 330 HG2 LYS 41 2HG LYS 41 -0.182 -14.261 -7.395 331 HG3 LYS 41 1HG LYS 41 -1.619 -15.228 -7.057 332 HD2 LYS 41 2HD LYS 41 -0.924 -16.966 -8.362 333 HD3 LYS 41 1HD LYS 41 -0.025 -15.921 -9.464 334 HE2 LYS 41 2HE LYS 41 1.621 -17.125 -8.311 335 HE3 LYS 41 1HE LYS 41 1.588 -15.547 -7.526 336 HZ1 LYS 41 3HZ LYS 41 1.496 -17.845 -6.201 337 HZ2 LYS 41 1HZ LYS 41 -0.163 -17.571 -6.393 338 HZ3 LYS 41 2HZ LYS 41 0.802 -16.417 -5.619 339 H GLU 42 H GLU 42 -3.356 -14.220 -5.941 340 HA GLU 42 HA GLU 42 -4.726 -16.631 -6.515 341 HB2 GLU 42 2HB GLU 42 -3.641 -15.312 -4.215 342 HB3 GLU 42 1HB GLU 42 -5.240 -15.916 -3.840 343 HG2 GLU 42 2HG GLU 42 -4.153 -18.040 -5.137 344 HG3 GLU 42 1HG GLU 42 -2.750 -17.359 -4.318 345 H LEU 43 H LEU 43 -6.055 -13.840 -4.645 346 HA LEU 43 HA LEU 43 -8.646 -14.521 -5.874 347 HB2 LEU 43 2HB LEU 43 -9.558 -13.342 -3.708 348 HB3 LEU 43 1HB LEU 43 -9.160 -15.046 -3.738 349 HG LEU 43 HG LEU 43 -8.421 -13.793 -1.697 350 HD11 LEU 43 1HD1 LEU 43 -7.110 -15.777 -3.200 351 HD12 LEU 43 2HD1 LEU 43 -7.020 -15.482 -1.464 352 HD13 LEU 43 3HD1 LEU 43 -5.864 -14.713 -2.549 353 HD21 LEU 43 3HD2 LEU 43 -6.030 -12.772 -3.052 354 HD22 LEU 43 1HD2 LEU 43 -6.989 -12.071 -1.753 355 HD23 LEU 43 2HD2 LEU 43 -7.517 -11.904 -3.425 356 H SER 44 H SER 44 -6.345 -12.027 -5.440 357 HA SER 44 HA SER 44 -8.051 -9.791 -5.513 358 HB2 SER 44 2HB SER 44 -5.317 -10.208 -5.389 359 HB3 SER 44 1HB SER 44 -5.535 -9.385 -6.929 360 HG SER 44 HG SER 44 -7.043 -8.200 -5.060 361 H ILE 45 H ILE 45 -8.976 -8.658 -7.123 362 HA ILE 45 HA ILE 45 -9.013 -9.916 -9.765 363 HB ILE 45 HB ILE 45 -10.982 -8.335 -10.137 364 HG12 ILE 45 2HG1 ILE 45 -11.331 -8.216 -7.196 365 HG13 ILE 45 1HG1 ILE 45 -10.140 -7.117 -7.881 366 HG21 ILE 45 1HG2 ILE 45 -11.756 -10.445 -9.890 367 HG22 ILE 45 2HG2 ILE 45 -12.363 -9.799 -8.366 368 HG23 ILE 45 3HG2 ILE 45 -10.857 -10.716 -8.396 369 HD11 ILE 45 3HD1 ILE 45 -11.781 -5.728 -8.360 370 HD12 ILE 45 1HD1 ILE 45 -12.983 -6.906 -7.833 371 HD13 ILE 45 2HD1 ILE 45 -12.415 -6.914 -9.503 372 H ASP 46 H ASP 46 -7.586 -7.335 -8.169 373 HA ASP 46 HA ASP 46 -7.644 -5.177 -9.834 374 HB2 ASP 46 2HB ASP 46 -6.441 -5.020 -7.788 375 HB3 ASP 46 1HB ASP 46 -5.352 -6.326 -8.240 376 H GLY 47 H GLY 47 -6.843 -4.606 -11.775 377 HA2 GLY 47 2HA GLY 47 -6.161 -6.584 -13.648 378 HA3 GLY 47 1HA GLY 47 -5.981 -4.852 -13.887 379 H GLY 48 H GLY 48 -4.135 -6.056 -15.131 380 HA2 GLY 48 2HA GLY 48 -1.959 -7.234 -14.671 381 HA3 GLY 48 1HA GLY 48 -1.777 -5.573 -15.193 382 H SER 49 H SER 49 -2.374 -4.194 -12.837 383 HA SER 49 HA SER 49 0.047 -4.173 -11.509 384 HB2 SER 49 2HB SER 49 -2.602 -3.410 -10.263 385 HB3 SER 49 1HB SER 49 -1.006 -2.794 -9.834 386 HG SER 49 HG SER 49 -2.636 -2.178 -12.005 387 H ALA 50 H ALA 50 -2.623 -6.334 -11.062 388 HA ALA 50 HA ALA 50 -1.947 -7.227 -8.436 389 HB1 ALA 50 1HB ALA 50 -4.211 -7.465 -9.419 390 HB2 ALA 50 2HB ALA 50 -3.557 -8.985 -8.808 391 HB3 ALA 50 3HB ALA 50 -3.563 -8.663 -10.542 392 H LYS 51 H LYS 51 -1.061 -8.057 -11.679 393 HA LYS 51 HA LYS 51 0.138 -10.562 -11.163 394 HB2 LYS 51 2HB LYS 51 0.199 -8.561 -13.379 395 HB3 LYS 51 1HB LYS 51 1.369 -9.861 -13.375 396 HG2 LYS 51 2HG LYS 51 -1.597 -10.290 -13.199 397 HG3 LYS 51 1HG LYS 51 -0.688 -10.301 -14.711 398 HD2 LYS 51 2HD LYS 51 -0.508 -12.510 -14.319 399 HD3 LYS 51 1HD LYS 51 0.772 -12.026 -13.205 400 HE2 LYS 51 2HE LYS 51 -0.403 -13.140 -11.660 401 HE3 LYS 51 1HE LYS 51 -1.469 -11.735 -11.666 402 HZ1 LYS 51 3HZ LYS 51 -1.846 -14.101 -13.418 403 HZ2 LYS 51 1HZ LYS 51 -2.921 -12.813 -13.194 404 HZ3 LYS 51 2HZ LYS 51 -2.624 -13.898 -11.930 405 H ARG 52 H ARG 52 1.092 -7.380 -10.476 406 HA ARG 52 HA ARG 52 3.911 -8.150 -10.216 407 HB2 ARG 52 2HB ARG 52 3.732 -5.436 -9.608 408 HB3 ARG 52 1HB ARG 52 4.302 -6.140 -11.110 409 HG2 ARG 52 2HG ARG 52 1.814 -6.112 -11.804 410 HG3 ARG 52 1HG ARG 52 1.631 -4.965 -10.476 411 HD2 ARG 52 2HD ARG 52 2.667 -3.320 -11.596 412 HD3 ARG 52 1HD ARG 52 3.898 -4.405 -12.241 413 HE ARG 52 HE ARG 52 1.434 -4.887 -13.522 414 HH11 ARG 52 1HH1 ARG 52 3.991 -2.518 -13.372 415 HH12 ARG 52 2HH1 ARG 52 3.735 -1.955 -14.988 416 HH21 ARG 52 1HH2 ARG 52 1.092 -4.146 -15.650 417 HH22 ARG 52 2HH2 ARG 52 2.090 -2.878 -16.281 418 H ASP 53 H ASP 53 1.660 -8.888 -8.428 419 HA ASP 53 HA ASP 53 1.279 -9.201 -6.229 420 HB2 ASP 53 2HB ASP 53 3.083 -9.341 -4.790 421 HB3 ASP 53 1HB ASP 53 3.877 -9.456 -6.353 422 H GLY 54 H GLY 54 0.836 -6.515 -7.633 423 HA2 GLY 54 2HA GLY 54 -0.058 -4.475 -7.091 424 HA3 GLY 54 1HA GLY 54 -0.557 -5.246 -5.592 425 H SER 55 H SER 55 2.803 -5.005 -6.464 426 HA SER 55 HA SER 55 3.552 -3.807 -4.049 427 HB2 SER 55 2HB SER 55 4.898 -4.372 -6.641 428 HB3 SER 55 1HB SER 55 5.667 -3.201 -5.568 429 HG SER 55 HG SER 55 5.890 -5.765 -5.412 430 H LEU 56 H LEU 56 2.165 -2.010 -3.792 431 HA LEU 56 HA LEU 56 1.957 0.133 -5.582 432 HB2 LEU 56 2HB LEU 56 1.603 -0.015 -2.595 433 HB3 LEU 56 1HB LEU 56 1.284 1.434 -3.503 434 HG LEU 56 HG LEU 56 -0.172 -1.192 -3.651 435 HD11 LEU 56 1HD1 LEU 56 -2.082 0.592 -3.357 436 HD12 LEU 56 2HD1 LEU 56 -0.770 1.549 -2.671 437 HD13 LEU 56 3HD1 LEU 56 -1.177 -0.018 -1.971 438 HD21 LEU 56 3HD2 LEU 56 -1.560 0.374 -5.337 439 HD22 LEU 56 1HD2 LEU 56 -0.324 -0.768 -5.863 440 HD23 LEU 56 2HD2 LEU 56 0.075 0.940 -5.674 441 H GLY 57 H GLY 57 4.520 -0.823 -3.514 442 HA2 GLY 57 2HA GLY 57 6.526 0.140 -2.955 443 HA3 GLY 57 1HA GLY 57 6.413 0.888 -4.538 444 H TYR 58 H TYR 58 7.680 2.557 -3.292 445 HA TYR 58 HA TYR 58 6.496 4.086 -1.260 446 HB2 TYR 58 2HB TYR 58 8.198 5.729 -2.935 447 HB3 TYR 58 1HB TYR 58 8.417 5.243 -1.262 448 HD1 TYR 58 1HD TYR 58 9.016 4.228 -4.775 449 HD2 TYR 58 2HD TYR 58 9.984 3.557 -0.688 450 HE1 TYR 58 1HE TYR 58 10.890 2.789 -5.460 451 HE2 TYR 58 2HE TYR 58 11.861 2.119 -1.361 452 HH TYR 58 HH TYR 58 13.292 1.728 -3.261 453 H PHE 59 H PHE 59 4.657 5.132 -1.378 454 HA PHE 59 HA PHE 59 4.136 6.808 -3.743 455 HB2 PHE 59 2HB PHE 59 2.343 4.897 -2.355 456 HB3 PHE 59 1HB PHE 59 1.643 6.434 -2.827 457 HD1 PHE 59 1HD PHE 59 4.202 4.409 -4.602 458 HD2 PHE 59 2HD PHE 59 0.219 5.901 -4.575 459 HE1 PHE 59 1HE PHE 59 3.882 3.576 -6.892 460 HE2 PHE 59 2HE PHE 59 -0.111 5.069 -6.867 461 HZ PHE 59 HZ PHE 59 1.721 3.904 -8.028 462 H GLY 60 H GLY 60 2.674 8.657 -3.206 463 HA2 GLY 60 2HA GLY 60 3.048 9.482 -0.398 464 HA3 GLY 60 1HA GLY 60 3.389 10.585 -1.721 465 H ARG 61 H ARG 61 1.775 11.801 -0.256 466 HA ARG 61 HA ARG 61 -0.983 11.023 -0.621 467 HB2 ARG 61 2HB ARG 61 -1.504 12.955 0.783 468 HB3 ARG 61 1HB ARG 61 -0.278 11.947 1.537 469 HG2 ARG 61 2HG ARG 61 1.370 13.619 0.372 470 HG3 ARG 61 1HG ARG 61 -0.042 14.676 0.375 471 HD2 ARG 61 2HD ARG 61 -0.220 13.988 2.875 472 HD3 ARG 61 1HD ARG 61 1.471 13.525 2.685 473 HE ARG 61 HE ARG 61 0.934 16.174 1.743 474 HH11 ARG 61 1HH1 ARG 61 1.611 14.265 4.585 475 HH12 ARG 61 2HH1 ARG 61 2.279 15.595 5.472 476 HH21 ARG 61 1HH2 ARG 61 1.813 17.923 2.907 477 HH22 ARG 61 2HH2 ARG 61 2.394 17.673 4.519 478 H GLY 62 H GLY 62 -1.467 11.248 -2.740 479 HA2 GLY 62 2HA GLY 62 -2.545 13.368 -3.841 480 HA3 GLY 62 1HA GLY 62 -0.857 13.777 -4.065 481 H LYS 63 H LYS 63 -2.251 10.541 -4.274 482 HA LYS 63 HA LYS 63 -2.158 10.572 -7.170 483 HB2 LYS 63 2HB LYS 63 -0.136 9.191 -5.480 484 HB3 LYS 63 1HB LYS 63 -0.722 8.338 -6.902 485 HG2 LYS 63 2HG LYS 63 -0.043 11.081 -7.515 486 HG3 LYS 63 1HG LYS 63 1.318 10.212 -6.803 487 HD2 LYS 63 2HD LYS 63 0.259 8.404 -8.608 488 HD3 LYS 63 1HD LYS 63 0.113 9.954 -9.437 489 HE2 LYS 63 2HE LYS 63 2.369 10.259 -9.557 490 HE3 LYS 63 1HE LYS 63 2.678 9.362 -8.070 491 HZ1 LYS 63 3HZ LYS 63 3.506 8.066 -9.841 492 HZ2 LYS 63 1HZ LYS 63 2.099 8.261 -10.760 493 HZ3 LYS 63 2HZ LYS 63 2.069 7.318 -9.357 494 H MET 64 H MET 64 -2.572 8.638 -4.226 495 HA MET 64 HA MET 64 -4.335 6.792 -5.622 496 HB2 MET 64 2HB MET 64 -3.704 6.763 -2.679 497 HB3 MET 64 1HB MET 64 -4.238 5.428 -3.691 498 HG2 MET 64 2HG MET 64 -2.011 5.812 -4.950 499 HG3 MET 64 1HG MET 64 -1.538 6.686 -3.495 500 HE1 MET 64 3HE MET 64 -0.278 5.743 -1.852 501 HE2 MET 64 1HE MET 64 -0.403 4.131 -1.146 502 HE3 MET 64 2HE MET 64 -1.699 5.302 -0.906 503 H VAL 65 H VAL 65 -6.404 6.169 -4.499 504 HA VAL 65 HA VAL 65 -8.145 8.353 -4.402 505 HB VAL 65 HB VAL 65 -9.835 6.793 -3.559 506 HG11 VAL 65 1HG1 VAL 65 -9.429 4.956 -5.349 507 HG12 VAL 65 2HG1 VAL 65 -8.032 5.942 -5.786 508 HG13 VAL 65 3HG1 VAL 65 -9.655 6.629 -5.859 509 HG21 VAL 65 3HG2 VAL 65 -8.084 4.446 -3.572 510 HG22 VAL 65 1HG2 VAL 65 -9.385 4.885 -2.464 511 HG23 VAL 65 2HG2 VAL 65 -7.777 5.572 -2.253 512 H LYS 66 H LYS 66 -9.414 9.160 -2.622 513 HA LYS 66 HA LYS 66 -7.894 10.032 -0.463 514 HB2 LYS 66 2HB LYS 66 -10.270 10.748 -1.507 515 HB3 LYS 66 1HB LYS 66 -10.822 9.909 -0.064 516 HG2 LYS 66 2HG LYS 66 -9.672 11.392 1.361 517 HG3 LYS 66 1HG LYS 66 -8.739 12.069 0.026 518 HD2 LYS 66 2HD LYS 66 -10.401 13.670 0.523 519 HD3 LYS 66 1HD LYS 66 -10.951 12.849 -0.939 520 HE2 LYS 66 2HE LYS 66 -12.119 11.292 0.895 521 HE3 LYS 66 1HE LYS 66 -12.058 12.800 1.808 522 HZ1 LYS 66 3HZ LYS 66 -13.121 13.861 -0.186 523 HZ2 LYS 66 1HZ LYS 66 -14.103 12.780 0.667 524 HZ3 LYS 66 2HZ LYS 66 -13.392 12.304 -0.792 525 HA PRO 67 HA PRO 67 -10.238 6.786 2.296 526 HB2 PRO 67 2HB PRO 67 -10.912 4.489 0.911 527 HB3 PRO 67 1HB PRO 67 -12.040 5.743 1.390 528 HG2 PRO 67 2HG PRO 67 -10.830 5.178 -1.244 529 HG3 PRO 67 1HG PRO 67 -12.386 5.925 -0.859 530 HD2 PRO 67 2HD PRO 67 -10.188 7.297 -1.743 531 HD3 PRO 67 1HD PRO 67 -11.489 8.014 -0.793 532 H PHE 68 H PHE 68 -8.489 5.533 -0.498 533 HA PHE 68 HA PHE 68 -7.087 3.537 1.018 534 HB2 PHE 68 2HB PHE 68 -7.588 3.474 -1.493 535 HB3 PHE 68 1HB PHE 68 -6.241 4.592 -1.677 536 HD1 PHE 68 1HD PHE 68 -3.978 3.858 -0.709 537 HD2 PHE 68 2HD PHE 68 -7.210 1.190 -1.450 538 HE1 PHE 68 1HE PHE 68 -2.405 1.966 -0.738 539 HE2 PHE 68 2HE PHE 68 -5.643 -0.706 -1.478 540 HZ PHE 68 HZ PHE 68 -3.238 -0.319 -1.121 541 H GLU 69 H GLU 69 -6.153 6.637 -0.454 542 HA GLU 69 HA GLU 69 -3.498 6.698 0.343 543 HB2 GLU 69 2HB GLU 69 -4.845 8.320 -1.161 544 HB3 GLU 69 1HB GLU 69 -5.214 9.164 0.336 545 HG2 GLU 69 2HG GLU 69 -2.444 8.742 0.349 546 HG3 GLU 69 1HG GLU 69 -2.855 9.265 -1.285 547 H ASP 70 H ASP 70 -6.415 7.375 2.146 548 HA ASP 70 HA ASP 70 -5.196 8.650 4.365 549 HB2 ASP 70 2HB ASP 70 -7.737 8.395 3.633 550 HB3 ASP 70 1HB ASP 70 -7.671 7.024 4.736 551 H ALA 71 H ALA 71 -6.295 5.294 3.891 552 HA ALA 71 HA ALA 71 -5.170 4.400 6.367 553 HB1 ALA 71 1HB ALA 71 -7.086 3.424 4.721 554 HB2 ALA 71 2HB ALA 71 -6.286 2.489 5.985 555 HB3 ALA 71 3HB ALA 71 -5.728 2.374 4.316 556 H ALA 72 H ALA 72 -3.802 5.144 3.391 557 HA ALA 72 HA ALA 72 -1.877 3.121 3.081 558 HB1 ALA 72 1HB ALA 72 -0.930 4.459 1.448 559 HB2 ALA 72 2HB ALA 72 -1.335 5.954 2.293 560 HB3 ALA 72 3HB ALA 72 -2.597 5.031 1.481 561 H PHE 73 H PHE 73 -1.771 6.199 4.839 562 HA PHE 73 HA PHE 73 0.886 5.520 5.863 563 HB2 PHE 73 2HB PHE 73 0.721 7.880 6.848 564 HB3 PHE 73 1HB PHE 73 0.855 7.744 5.099 565 HD1 PHE 73 1HD PHE 73 -1.790 7.884 7.726 566 HD2 PHE 73 2HD PHE 73 -0.544 9.030 3.823 567 HE1 PHE 73 1HE PHE 73 -3.839 9.224 7.470 568 HE2 PHE 73 2HE PHE 73 -2.590 10.373 3.559 569 HZ PHE 73 HZ PHE 73 -4.240 10.470 5.384 570 H ARG 74 H ARG 74 -1.876 4.414 6.719 571 HA ARG 74 HA ARG 74 -1.818 5.162 9.546 572 HB2 ARG 74 2HB ARG 74 -3.835 3.846 7.771 573 HB3 ARG 74 1HB ARG 74 -3.916 3.582 9.507 574 HG2 ARG 74 2HG ARG 74 -3.819 6.166 9.656 575 HG3 ARG 74 1HG ARG 74 -4.305 6.106 7.960 576 HD2 ARG 74 2HD ARG 74 -6.412 5.817 8.594 577 HD3 ARG 74 1HD ARG 74 -5.960 4.297 9.363 578 HE ARG 74 HE ARG 74 -5.278 6.131 11.218 579 HH11 ARG 74 1HH1 ARG 74 -8.210 5.579 9.406 580 HH12 ARG 74 2HH1 ARG 74 -9.245 6.191 10.653 581 HH21 ARG 74 1HH2 ARG 74 -6.638 6.936 12.858 582 HH22 ARG 74 2HH2 ARG 74 -8.351 6.962 12.613 583 H LEU 75 H LEU 75 -1.129 2.503 7.405 584 HA LEU 75 HA LEU 75 -0.775 0.672 9.656 585 HB2 LEU 75 2HB LEU 75 -0.258 -0.034 6.793 586 HB3 LEU 75 1HB LEU 75 -0.725 -1.085 8.114 587 HG LEU 75 HG LEU 75 -2.488 0.879 6.661 588 HD11 LEU 75 1HD1 LEU 75 -3.275 -0.879 5.513 589 HD12 LEU 75 2HD1 LEU 75 -3.214 -1.948 6.915 590 HD13 LEU 75 3HD1 LEU 75 -1.754 -1.643 5.970 591 HD21 LEU 75 3HD2 LEU 75 -2.781 -0.486 9.274 592 HD22 LEU 75 1HD2 LEU 75 -4.184 -0.491 8.207 593 HD23 LEU 75 2HD2 LEU 75 -3.464 1.038 8.707 594 H GLN 76 H GLN 76 1.028 2.606 9.913 595 HA GLN 76 HA GLN 76 3.449 2.347 8.531 596 HB2 GLN 76 2HB GLN 76 2.965 3.206 11.390 597 HB3 GLN 76 1HB GLN 76 4.463 3.455 10.501 598 HG2 GLN 76 2HG GLN 76 3.361 4.907 8.947 599 HG3 GLN 76 1HG GLN 76 1.793 4.565 9.670 600 HE21 GLN 76 1HE2 GLN 76 1.671 5.080 12.053 601 HE22 GLN 76 2HE2 GLN 76 2.400 6.560 12.566 602 H VAL 77 H VAL 77 2.066 0.584 11.187 603 HA VAL 77 HA VAL 77 4.356 -0.826 12.044 604 HB VAL 77 HB VAL 77 2.476 -0.859 13.491 605 HG11 VAL 77 1HG1 VAL 77 0.521 -0.508 12.432 606 HG12 VAL 77 2HG1 VAL 77 0.407 -2.268 12.476 607 HG13 VAL 77 3HG1 VAL 77 0.992 -1.459 11.023 608 HG21 VAL 77 3HG2 VAL 77 2.640 -2.999 14.151 609 HG22 VAL 77 1HG2 VAL 77 3.740 -3.176 12.783 610 HG23 VAL 77 2HG2 VAL 77 2.040 -3.622 12.611 611 H GLY 78 H GLY 78 2.211 -1.196 9.340 612 HA2 GLY 78 2HA GLY 78 2.691 -2.421 7.400 613 HA3 GLY 78 1HA GLY 78 3.881 -3.331 8.294 614 H GLU 79 H GLU 79 0.444 -2.788 8.074 615 HA GLU 79 HA GLU 79 0.006 -5.661 8.387 616 HB2 GLU 79 2HB GLU 79 -0.212 -4.199 10.537 617 HB3 GLU 79 1HB GLU 79 -1.736 -3.723 9.835 618 HG2 GLU 79 2HG GLU 79 -1.352 -6.592 9.804 619 HG3 GLU 79 1HG GLU 79 -1.255 -5.913 11.428 620 H VAL 80 H VAL 80 -2.523 -6.004 8.095 621 HA VAL 80 HA VAL 80 -3.100 -4.832 5.536 622 HB VAL 80 HB VAL 80 -4.753 -6.745 7.199 623 HG11 VAL 80 1HG1 VAL 80 -5.251 -5.389 4.633 624 HG12 VAL 80 2HG1 VAL 80 -6.388 -6.036 5.814 625 HG13 VAL 80 3HG1 VAL 80 -5.598 -7.116 4.666 626 HG21 VAL 80 3HG2 VAL 80 -3.985 -8.406 5.478 627 HG22 VAL 80 1HG2 VAL 80 -2.720 -7.813 6.556 628 HG23 VAL 80 2HG2 VAL 80 -2.839 -7.187 4.911 629 H SER 81 H SER 81 -4.953 -3.523 5.054 630 HA SER 81 HA SER 81 -5.831 -1.975 7.387 631 HB2 SER 81 2HB SER 81 -5.031 -1.271 4.701 632 HB3 SER 81 1HB SER 81 -6.638 -0.636 5.053 633 HG SER 81 HG SER 81 -4.607 0.604 5.689 634 H GLU 82 H GLU 82 -7.973 -1.292 7.587 635 HA GLU 82 HA GLU 82 -9.903 -3.226 7.380 636 HB2 GLU 82 2HB GLU 82 -10.363 -0.242 7.398 637 HB3 GLU 82 1HB GLU 82 -11.522 -1.473 7.882 638 HG2 GLU 82 2HG GLU 82 -10.710 -1.499 9.934 639 HG3 GLU 82 1HG GLU 82 -9.092 -1.847 9.321 640 HA PRO 83 HA PRO 83 -11.531 -3.544 3.336 641 HB2 PRO 83 2HB PRO 83 -14.245 -3.175 3.861 642 HB3 PRO 83 1HB PRO 83 -13.379 -4.710 3.974 643 HG2 PRO 83 2HG PRO 83 -14.087 -2.768 6.134 644 HG3 PRO 83 1HG PRO 83 -14.110 -4.540 6.166 645 HD2 PRO 83 2HD PRO 83 -12.125 -3.186 7.331 646 HD3 PRO 83 1HD PRO 83 -11.797 -4.685 6.430 647 H VAL 84 H VAL 84 -10.828 -1.766 2.236 648 HA VAL 84 HA VAL 84 -12.359 0.725 2.509 649 HB VAL 84 HB VAL 84 -9.725 0.260 1.097 650 HG11 VAL 84 1HG1 VAL 84 -11.324 2.760 1.621 651 HG12 VAL 84 2HG1 VAL 84 -10.868 2.074 0.058 652 HG13 VAL 84 3HG1 VAL 84 -9.633 2.761 1.114 653 HG21 VAL 84 3HG2 VAL 84 -8.999 1.842 3.051 654 HG22 VAL 84 1HG2 VAL 84 -9.124 0.100 3.309 655 HG23 VAL 84 2HG2 VAL 84 -10.421 1.167 3.851 656 H LYS 85 H LYS 85 -14.110 0.595 1.209 657 HA LYS 85 HA LYS 85 -13.848 -0.578 -1.443 658 HB2 LYS 85 2HB LYS 85 -15.817 -0.991 0.143 659 HB3 LYS 85 1HB LYS 85 -16.341 0.636 -0.268 660 HG2 LYS 85 2HG LYS 85 -15.795 -1.402 -2.393 661 HG3 LYS 85 1HG LYS 85 -17.348 -1.330 -1.562 662 HD2 LYS 85 2HD LYS 85 -16.744 1.312 -2.294 663 HD3 LYS 85 1HD LYS 85 -16.341 0.316 -3.695 664 HE2 LYS 85 2HE LYS 85 -18.502 -0.353 -4.015 665 HE3 LYS 85 1HE LYS 85 -18.915 -0.206 -2.307 666 HZ1 LYS 85 3HZ LYS 85 -20.013 1.491 -3.618 667 HZ2 LYS 85 1HZ LYS 85 -18.526 2.053 -4.198 668 HZ3 LYS 85 2HZ LYS 85 -18.905 2.203 -2.555 669 H SER 86 H SER 86 -13.129 0.675 -3.022 670 HA SER 86 HA SER 86 -13.854 3.528 -3.002 671 HB2 SER 86 2HB SER 86 -11.443 2.038 -3.861 672 HB3 SER 86 1HB SER 86 -11.933 3.369 -4.908 673 HG SER 86 HG SER 86 -11.802 4.756 -3.145 674 H GLU 87 H GLU 87 -13.645 4.309 -5.513 675 HA GLU 87 HA GLU 87 -15.991 3.412 -6.746 676 HB2 GLU 87 2HB GLU 87 -15.192 4.697 -8.727 677 HB3 GLU 87 1HB GLU 87 -15.133 5.608 -7.225 678 HG2 GLU 87 2HG GLU 87 -12.651 4.643 -7.213 679 HG3 GLU 87 1HG GLU 87 -12.937 4.647 -8.952 680 H PHE 88 H PHE 88 -12.832 2.091 -6.764 681 HA PHE 88 HA PHE 88 -13.222 0.613 -9.234 682 HB2 PHE 88 2HB PHE 88 -10.966 1.185 -7.420 683 HB3 PHE 88 1HB PHE 88 -10.936 -0.402 -8.177 684 HD1 PHE 88 1HD PHE 88 -10.905 3.221 -8.792 685 HD2 PHE 88 2HD PHE 88 -10.497 -0.654 -10.506 686 HE1 PHE 88 1HE PHE 88 -9.994 4.229 -10.844 687 HE2 PHE 88 2HE PHE 88 -9.584 0.347 -12.560 688 HZ PHE 88 HZ PHE 88 -9.331 2.791 -12.731 689 H GLY 89 H GLY 89 -13.042 -0.009 -5.748 690 HA2 GLY 89 2HA GLY 89 -14.835 -2.064 -5.599 691 HA3 GLY 89 1HA GLY 89 -13.342 -2.857 -6.068 692 H TYR 90 H TYR 90 -13.694 -3.983 -4.012 693 HA TYR 90 HA TYR 90 -13.279 -2.480 -1.586 694 HB2 TYR 90 2HB TYR 90 -14.270 -5.068 -2.344 695 HB3 TYR 90 1HB TYR 90 -13.026 -5.257 -1.126 696 HD1 TYR 90 1HD TYR 90 -16.104 -3.292 -1.845 697 HD2 TYR 90 2HD TYR 90 -13.617 -5.040 1.129 698 HE1 TYR 90 1HE TYR 90 -17.755 -2.696 -0.123 699 HE2 TYR 90 2HE TYR 90 -15.263 -4.455 2.858 700 HH TYR 90 HH TYR 90 -17.609 -3.931 3.067 701 H HIS 91 H HIS 91 -11.276 -1.616 -1.579 702 HA HIS 91 HA HIS 91 -8.971 -3.118 -2.422 703 HB2 HIS 91 2HB HIS 91 -9.499 -0.327 -1.529 704 HB3 HIS 91 1HB HIS 91 -7.854 -0.935 -1.429 705 HD1 HIS 91 1HD HIS 91 -10.344 0.359 -3.800 706 HD2 HIS 91 2HD HIS 91 -6.719 -1.665 -3.970 707 HE1 HIS 91 1HE HIS 91 -9.558 0.585 -6.178 708 HE2 HIS 91 2HE HIS 91 -7.390 -0.695 -6.272 709 H VAL 92 H VAL 92 -6.999 -3.088 -1.108 710 HA VAL 92 HA VAL 92 -7.341 -3.317 1.778 711 HB VAL 92 HB VAL 92 -6.034 -5.540 0.200 712 HG11 VAL 92 1HG1 VAL 92 -6.772 -5.204 3.099 713 HG12 VAL 92 2HG1 VAL 92 -5.158 -5.376 2.407 714 HG13 VAL 92 3HG1 VAL 92 -6.277 -6.740 2.387 715 HG21 VAL 92 3HG2 VAL 92 -8.758 -5.612 1.490 716 HG22 VAL 92 1HG2 VAL 92 -7.975 -6.902 0.576 717 HG23 VAL 92 2HG2 VAL 92 -8.479 -5.423 -0.241 718 H ILE 93 H ILE 93 -5.243 -3.154 2.897 719 HA ILE 93 HA ILE 93 -3.027 -2.407 1.112 720 HB ILE 93 HB ILE 93 -3.376 -0.729 3.529 721 HG12 ILE 93 2HG1 ILE 93 -5.075 -0.471 1.042 722 HG13 ILE 93 1HG1 ILE 93 -5.639 -0.667 2.694 723 HG21 ILE 93 1HG2 ILE 93 -2.413 -0.263 0.714 724 HG22 ILE 93 2HG2 ILE 93 -1.430 -0.414 2.170 725 HG23 ILE 93 3HG2 ILE 93 -2.484 0.985 1.960 726 HD11 ILE 93 3HD1 ILE 93 -4.551 1.746 1.340 727 HD12 ILE 93 1HD1 ILE 93 -4.372 1.578 3.087 728 HD13 ILE 93 2HD1 ILE 93 -5.979 1.569 2.360 729 H LYS 94 H LYS 94 -1.245 -3.429 1.605 730 HA LYS 94 HA LYS 94 -0.631 -3.998 4.420 731 HB2 LYS 94 2HB LYS 94 -1.354 -6.100 3.477 732 HB3 LYS 94 1HB LYS 94 -0.298 -5.892 2.090 733 HG2 LYS 94 2HG LYS 94 0.591 -7.506 3.695 734 HG3 LYS 94 1HG LYS 94 1.656 -6.112 3.502 735 HD2 LYS 94 2HD LYS 94 1.281 -5.361 5.617 736 HD3 LYS 94 1HD LYS 94 -0.375 -5.968 5.654 737 HE2 LYS 94 2HE LYS 94 1.738 -8.017 5.526 738 HE3 LYS 94 1HE LYS 94 1.677 -7.077 7.017 739 HZ1 LYS 94 3HZ LYS 94 -0.643 -8.503 5.832 740 HZ2 LYS 94 1HZ LYS 94 -0.602 -7.707 7.324 741 HZ3 LYS 94 2HZ LYS 94 0.313 -9.108 7.087 742 H ARG 95 H ARG 95 1.097 -2.832 4.913 743 HA ARG 95 HA ARG 95 2.800 -1.584 3.119 744 HB2 ARG 95 2HB ARG 95 2.397 -1.190 5.663 745 HB3 ARG 95 1HB ARG 95 3.739 -2.307 5.861 746 HG2 ARG 95 2HG ARG 95 4.858 -0.661 4.098 747 HG3 ARG 95 1HG ARG 95 3.714 0.465 4.833 748 HD2 ARG 95 2HD ARG 95 4.940 0.627 6.685 749 HD3 ARG 95 1HD ARG 95 5.063 -1.125 6.836 750 HE ARG 95 HE ARG 95 7.131 -1.040 5.844 751 HH11 ARG 95 1HH1 ARG 95 5.537 2.036 5.431 752 HH12 ARG 95 2HH1 ARG 95 6.953 2.833 4.834 753 HH21 ARG 95 1HH2 ARG 95 8.996 0.005 5.060 754 HH22 ARG 95 2HH2 ARG 95 8.916 1.679 4.623 755 H LEU 96 H LEU 96 4.694 -1.970 2.259 756 HA LEU 96 HA LEU 96 6.378 -4.153 2.942 757 HB2 LEU 96 2HB LEU 96 5.917 -5.585 1.283 758 HB3 LEU 96 1HB LEU 96 4.370 -4.783 1.219 759 HG LEU 96 HG LEU 96 5.463 -3.246 -0.542 760 HD11 LEU 96 1HD1 LEU 96 7.695 -3.624 -0.638 761 HD12 LEU 96 2HD1 LEU 96 7.185 -4.846 -1.807 762 HD13 LEU 96 3HD1 LEU 96 7.541 -5.312 -0.144 763 HD21 LEU 96 3HD2 LEU 96 4.611 -4.552 -2.230 764 HD22 LEU 96 1HD2 LEU 96 3.790 -5.210 -0.813 765 HD23 LEU 96 2HD2 LEU 96 5.179 -6.056 -1.500 766 H GLY 97 H GLY 97 8.299 -3.188 2.860 767 HA2 GLY 97 2HA GLY 97 9.138 -1.773 0.485 768 HA3 GLY 97 1HA GLY 97 9.014 -0.774 1.921 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 23.733 18.096 -4.731 2 H2 GLY 1 2HT GLY 1 22.588 19.054 -5.524 3 H3 GLY 1 3HT GLY 1 23.686 18.132 -6.423 4 HA2 GLY 1 1HA GLY 1 21.863 16.793 -6.575 5 HA3 GLY 1 2HA GLY 1 22.641 16.146 -5.139 6 HA PRO 2 HA PRO 2 18.270 17.972 -4.297 7 HB2 PRO 2 2HB PRO 2 16.656 15.849 -4.759 8 HB3 PRO 2 1HB PRO 2 17.048 17.034 -6.009 9 HG2 PRO 2 2HG PRO 2 18.229 14.325 -5.531 10 HG3 PRO 2 1HG PRO 2 17.752 15.083 -7.061 11 HD2 PRO 2 2HD PRO 2 20.327 14.986 -6.210 12 HD3 PRO 2 1HD PRO 2 19.692 16.316 -7.201 13 H MET 3 H MET 3 19.256 17.866 -2.195 14 HA MET 3 HA MET 3 19.375 15.427 -0.721 15 HB2 MET 3 2HB MET 3 19.790 16.927 1.232 16 HB3 MET 3 1HB MET 3 20.875 17.205 -0.124 17 HG2 MET 3 2HG MET 3 20.222 19.312 -0.335 18 HG3 MET 3 1HG MET 3 18.516 18.869 -0.283 19 HE1 MET 3 3HE MET 3 21.496 18.441 1.876 20 HE2 MET 3 1HE MET 3 20.528 17.927 3.257 21 HE3 MET 3 2HE MET 3 21.280 19.521 3.254 22 H GLY 4 H GLY 4 18.046 14.711 0.957 23 HA2 GLY 4 2HA GLY 4 16.114 15.356 2.431 24 HA3 GLY 4 1HA GLY 4 15.344 15.905 0.951 25 H SER 5 H SER 5 17.025 13.240 0.060 26 HA SER 5 HA SER 5 14.742 11.649 -0.316 27 HB2 SER 5 2HB SER 5 16.925 11.535 -1.610 28 HB3 SER 5 1HB SER 5 17.581 10.620 -0.252 29 HG SER 5 HG SER 5 15.463 9.917 -1.988 30 H MET 6 H MET 6 13.739 10.195 0.928 31 HA MET 6 HA MET 6 14.998 8.661 2.946 32 HB2 MET 6 2HB MET 6 14.555 11.201 3.815 33 HB3 MET 6 1HB MET 6 13.049 10.426 4.284 34 HG2 MET 6 2HG MET 6 14.898 8.616 5.137 35 HG3 MET 6 1HG MET 6 15.738 10.144 5.388 36 HE1 MET 6 3HE MET 6 13.560 7.680 7.454 37 HE2 MET 6 1HE MET 6 14.162 8.683 8.775 38 HE3 MET 6 2HE MET 6 15.253 8.177 7.483 39 H ALA 7 H ALA 7 12.821 8.209 4.642 40 HA ALA 7 HA ALA 7 11.066 6.770 2.818 41 HB1 ALA 7 1HB ALA 7 10.715 5.284 4.489 42 HB2 ALA 7 2HB ALA 7 10.678 6.529 5.738 43 HB3 ALA 7 3HB ALA 7 12.222 5.968 5.097 44 H ASP 8 H ASP 8 10.577 9.425 2.588 45 HA ASP 8 HA ASP 8 8.610 10.438 4.352 46 HB2 ASP 8 2HB ASP 8 9.454 11.153 1.552 47 HB3 ASP 8 1HB ASP 8 8.100 11.966 2.333 48 H LYS 9 H LYS 9 8.439 8.610 1.341 49 HA LYS 9 HA LYS 9 5.554 8.664 1.358 50 HB2 LYS 9 2HB LYS 9 5.606 7.895 -0.793 51 HB3 LYS 9 1HB LYS 9 7.131 8.742 -0.714 52 HG2 LYS 9 2HG LYS 9 6.800 5.798 -0.323 53 HG3 LYS 9 1HG LYS 9 7.254 6.561 -1.845 54 HD2 LYS 9 2HD LYS 9 9.357 6.163 -1.047 55 HD3 LYS 9 1HD LYS 9 9.066 7.703 -0.243 56 HE2 LYS 9 2HE LYS 9 8.816 6.758 1.800 57 HE3 LYS 9 1HE LYS 9 8.140 5.267 1.148 58 HZ1 LYS 9 3HZ LYS 9 10.366 4.978 2.128 59 HZ2 LYS 9 1HZ LYS 9 11.005 6.029 0.966 60 HZ3 LYS 9 2HZ LYS 9 10.321 4.558 0.490 61 H ILE 10 H ILE 10 4.476 6.428 0.828 62 HA ILE 10 HA ILE 10 5.409 4.610 2.942 63 HB ILE 10 HB ILE 10 2.588 4.473 2.001 64 HG12 ILE 10 2HG1 ILE 10 2.673 6.160 4.299 65 HG13 ILE 10 1HG1 ILE 10 3.701 6.882 3.067 66 HG21 ILE 10 1HG2 ILE 10 4.194 3.679 4.340 67 HG22 ILE 10 2HG2 ILE 10 2.858 2.851 3.541 68 HG23 ILE 10 3HG2 ILE 10 2.532 4.171 4.665 69 HD11 ILE 10 3HD1 ILE 10 1.575 6.279 1.569 70 HD12 ILE 10 1HD1 ILE 10 1.756 7.808 2.431 71 HD13 ILE 10 2HD1 ILE 10 0.784 6.511 3.128 72 H LYS 11 H LYS 11 5.664 2.548 2.529 73 HA LYS 11 HA LYS 11 5.283 1.681 -0.245 74 HB2 LYS 11 2HB LYS 11 7.068 0.332 1.758 75 HB3 LYS 11 1HB LYS 11 7.165 0.307 -0.000 76 HG2 LYS 11 2HG LYS 11 8.518 2.061 -0.026 77 HG3 LYS 11 1HG LYS 11 7.421 3.031 0.981 78 HD2 LYS 11 2HD LYS 11 9.232 2.922 2.372 79 HD3 LYS 11 1HD LYS 11 8.416 1.440 2.873 80 HE2 LYS 11 2HE LYS 11 10.258 0.311 2.359 81 HE3 LYS 11 1HE LYS 11 10.005 0.740 0.669 82 HZ1 LYS 11 3HZ LYS 11 11.292 2.721 2.390 83 HZ2 LYS 11 1HZ LYS 11 11.557 2.376 0.755 84 HZ3 LYS 11 2HZ LYS 11 12.204 1.367 1.949 85 H CYS 12 H CYS 12 3.224 0.916 -0.195 86 HA CYS 12 HA CYS 12 2.674 -1.267 1.701 87 HB2 CYS 12 2HB CYS 12 1.384 1.024 1.763 88 HB3 CYS 12 1HB CYS 12 0.483 0.321 0.426 89 HG CYS 12 HG CYS 12 -0.537 -0.083 2.918 90 H SER 13 H SER 13 0.635 -2.542 0.810 91 HA SER 13 HA SER 13 1.156 -3.258 -2.000 92 HB2 SER 13 2HB SER 13 0.942 -5.543 -1.506 93 HB3 SER 13 1HB SER 13 1.851 -4.931 -0.124 94 HG SER 13 HG SER 13 0.084 -6.279 0.483 95 H HIS 14 H HIS 14 -0.808 -4.283 -3.066 96 HA HIS 14 HA HIS 14 -3.298 -3.343 -1.837 97 HB2 HIS 14 2HB HIS 14 -4.041 -2.214 -3.762 98 HB3 HIS 14 1HB HIS 14 -2.369 -1.707 -3.556 99 HD1 HIS 14 1HD HIS 14 -0.607 -3.028 -5.160 100 HD2 HIS 14 2HD HIS 14 -4.620 -3.202 -6.224 101 HE1 HIS 14 1HE HIS 14 -0.632 -3.721 -7.578 102 HE2 HIS 14 2HE HIS 14 -3.069 -3.744 -8.220 103 H ILE 15 H ILE 15 -5.197 -4.310 -2.484 104 HA ILE 15 HA ILE 15 -5.179 -6.563 -4.282 105 HB ILE 15 HB ILE 15 -5.438 -6.919 -1.303 106 HG12 ILE 15 2HG1 ILE 15 -4.064 -9.043 -2.200 107 HG13 ILE 15 1HG1 ILE 15 -3.667 -7.903 -3.472 108 HG21 ILE 15 1HG2 ILE 15 -7.156 -8.307 -1.595 109 HG22 ILE 15 2HG2 ILE 15 -6.033 -9.386 -2.421 110 HG23 ILE 15 3HG2 ILE 15 -7.004 -8.245 -3.352 111 HD11 ILE 15 3HD1 ILE 15 -2.010 -7.276 -2.128 112 HD12 ILE 15 1HD1 ILE 15 -2.746 -8.034 -0.716 113 HD13 ILE 15 2HD1 ILE 15 -3.256 -6.421 -1.217 114 H LEU 16 H LEU 16 -7.096 -6.609 -5.287 115 HA LEU 16 HA LEU 16 -9.350 -5.221 -3.998 116 HB2 LEU 16 2HB LEU 16 -8.263 -4.359 -6.195 117 HB3 LEU 16 1HB LEU 16 -9.143 -5.660 -6.950 118 HG LEU 16 HG LEU 16 -11.253 -4.730 -6.282 119 HD11 LEU 16 1HD1 LEU 16 -11.258 -3.720 -4.284 120 HD12 LEU 16 2HD1 LEU 16 -10.862 -2.268 -5.202 121 HD13 LEU 16 3HD1 LEU 16 -9.580 -3.201 -4.427 122 HD21 LEU 16 3HD2 LEU 16 -9.952 -2.233 -7.146 123 HD22 LEU 16 1HD2 LEU 16 -11.303 -3.117 -7.856 124 HD23 LEU 16 2HD2 LEU 16 -9.647 -3.649 -8.154 125 H VAL 17 H VAL 17 -11.148 -6.300 -3.600 126 HA VAL 17 HA VAL 17 -11.824 -8.674 -5.157 127 HB VAL 17 HB VAL 17 -12.326 -10.020 -3.201 128 HG11 VAL 17 1HG1 VAL 17 -9.722 -9.727 -2.255 129 HG12 VAL 17 2HG1 VAL 17 -9.660 -9.201 -3.934 130 HG13 VAL 17 3HG1 VAL 17 -10.275 -10.803 -3.536 131 HG21 VAL 17 3HG2 VAL 17 -11.338 -7.637 -1.656 132 HG22 VAL 17 1HG2 VAL 17 -11.436 -9.252 -0.951 133 HG23 VAL 17 2HG2 VAL 17 -12.897 -8.453 -1.534 134 H LYS 18 H LYS 18 -13.999 -8.808 -5.531 135 HA LYS 18 HA LYS 18 -15.602 -6.596 -4.648 136 HB2 LYS 18 2HB LYS 18 -15.764 -8.649 -6.698 137 HB3 LYS 18 1HB LYS 18 -17.314 -8.410 -5.902 138 HG2 LYS 18 2HG LYS 18 -17.552 -6.814 -7.466 139 HG3 LYS 18 1HG LYS 18 -16.615 -5.852 -6.321 140 HD2 LYS 18 2HD LYS 18 -14.650 -7.120 -7.729 141 HD3 LYS 18 1HD LYS 18 -15.882 -6.879 -8.967 142 HE2 LYS 18 2HE LYS 18 -14.761 -4.728 -7.174 143 HE3 LYS 18 1HE LYS 18 -14.287 -5.007 -8.849 144 HZ1 LYS 18 3HZ LYS 18 -15.858 -3.424 -9.162 145 HZ2 LYS 18 1HZ LYS 18 -16.743 -3.841 -7.782 146 HZ3 LYS 18 2HZ LYS 18 -16.879 -4.773 -9.188 147 H LYS 19 H LYS 19 -15.364 -10.009 -3.813 148 HA LYS 19 HA LYS 19 -17.760 -10.027 -2.264 149 HB2 LYS 19 2HB LYS 19 -17.256 -12.179 -2.834 150 HB3 LYS 19 1HB LYS 19 -15.525 -11.885 -2.841 151 HG2 LYS 19 2HG LYS 19 -15.363 -12.176 -0.539 152 HG3 LYS 19 1HG LYS 19 -17.106 -12.076 -0.303 153 HD2 LYS 19 2HD LYS 19 -17.354 -14.175 -1.594 154 HD3 LYS 19 1HD LYS 19 -15.596 -14.285 -1.703 155 HE2 LYS 19 2HE LYS 19 -16.209 -15.683 0.092 156 HE3 LYS 19 1HE LYS 19 -15.573 -14.212 0.830 157 HZ1 LYS 19 3HZ LYS 19 -17.875 -15.320 1.537 158 HZ2 LYS 19 1HZ LYS 19 -18.440 -14.265 0.339 159 HZ3 LYS 19 2HZ LYS 19 -17.577 -13.660 1.664 160 H GLN 20 H GLN 20 -17.407 -8.055 -1.149 161 HA GLN 20 HA GLN 20 -15.315 -7.276 0.369 162 HB2 GLN 20 2HB GLN 20 -17.272 -5.882 0.008 163 HB3 GLN 20 1HB GLN 20 -18.239 -6.929 1.033 164 HG2 GLN 20 2HG GLN 20 -16.011 -6.114 2.557 165 HG3 GLN 20 1HG GLN 20 -16.641 -4.682 1.752 166 HE21 GLN 20 1HE2 GLN 20 -17.205 -7.108 4.129 167 HE22 GLN 20 2HE2 GLN 20 -18.658 -6.439 4.779 168 H GLY 21 H GLY 21 -17.451 -9.902 1.181 169 HA2 GLY 21 2HA GLY 21 -16.877 -9.908 3.961 170 HA3 GLY 21 1HA GLY 21 -17.445 -11.292 3.033 171 H GLU 22 H GLU 22 -15.237 -11.109 1.138 172 HA GLU 22 HA GLU 22 -13.331 -12.682 2.574 173 HB2 GLU 22 2HB GLU 22 -12.272 -13.014 0.494 174 HB3 GLU 22 1HB GLU 22 -13.989 -12.975 0.154 175 HG2 GLU 22 2HG GLU 22 -13.746 -11.312 -1.266 176 HG3 GLU 22 1HG GLU 22 -12.814 -10.367 -0.110 177 H ALA 23 H ALA 23 -13.513 -9.418 1.335 178 HA ALA 23 HA ALA 23 -10.887 -8.578 1.639 179 HB1 ALA 23 1HB ALA 23 -11.839 -6.299 1.937 180 HB2 ALA 23 2HB ALA 23 -13.441 -7.019 2.073 181 HB3 ALA 23 3HB ALA 23 -12.536 -7.164 0.567 182 H LEU 24 H LEU 24 -13.448 -8.998 4.004 183 HA LEU 24 HA LEU 24 -12.016 -7.822 6.192 184 HB2 LEU 24 2HB LEU 24 -14.602 -8.327 5.822 185 HB3 LEU 24 1HB LEU 24 -14.183 -9.822 6.634 186 HG LEU 24 HG LEU 24 -15.022 -8.293 8.270 187 HD11 LEU 24 1HD1 LEU 24 -12.063 -8.133 8.678 188 HD12 LEU 24 2HD1 LEU 24 -12.894 -9.689 8.702 189 HD13 LEU 24 3HD1 LEU 24 -13.341 -8.434 9.857 190 HD21 LEU 24 3HD2 LEU 24 -14.793 -6.184 7.254 191 HD22 LEU 24 1HD2 LEU 24 -13.048 -6.367 7.077 192 HD23 LEU 24 2HD2 LEU 24 -13.752 -6.132 8.677 193 H ALA 25 H ALA 25 -12.235 -10.987 4.761 194 HA ALA 25 HA ALA 25 -10.979 -12.316 7.002 195 HB1 ALA 25 1HB ALA 25 -11.974 -13.191 4.319 196 HB2 ALA 25 2HB ALA 25 -12.498 -13.699 5.925 197 HB3 ALA 25 3HB ALA 25 -10.948 -14.251 5.288 198 H VAL 26 H VAL 26 -10.080 -11.375 3.706 199 HA VAL 26 HA VAL 26 -7.571 -12.531 3.570 200 HB VAL 26 HB VAL 26 -7.066 -11.105 1.770 201 HG11 VAL 26 1HG1 VAL 26 -9.506 -12.402 1.922 202 HG12 VAL 26 2HG1 VAL 26 -8.705 -11.837 0.457 203 HG13 VAL 26 3HG1 VAL 26 -9.904 -10.819 1.255 204 HG21 VAL 26 3HG2 VAL 26 -9.101 -9.169 2.870 205 HG22 VAL 26 1HG2 VAL 26 -8.256 -8.987 1.333 206 HG23 VAL 26 2HG2 VAL 26 -7.351 -8.956 2.846 207 H GLN 27 H GLN 27 -8.555 -9.498 5.068 208 HA GLN 27 HA GLN 27 -6.038 -8.388 5.474 209 HB2 GLN 27 2HB GLN 27 -7.043 -7.027 7.187 210 HB3 GLN 27 1HB GLN 27 -8.209 -7.232 5.885 211 HG2 GLN 27 2HG GLN 27 -9.378 -8.912 7.167 212 HG3 GLN 27 1HG GLN 27 -8.208 -8.764 8.469 213 HE21 GLN 27 1HE2 GLN 27 -9.802 -6.300 6.492 214 HE22 GLN 27 2HE2 GLN 27 -10.538 -5.467 7.813 215 H GLU 28 H GLU 28 -7.897 -10.487 7.683 216 HA GLU 28 HA GLU 28 -5.728 -10.754 9.524 217 HB2 GLU 28 2HB GLU 28 -7.590 -11.179 10.725 218 HB3 GLU 28 1HB GLU 28 -8.507 -11.662 9.307 219 HG2 GLU 28 2HG GLU 28 -7.669 -13.882 9.424 220 HG3 GLU 28 1HG GLU 28 -6.496 -13.439 10.662 221 H ARG 29 H ARG 29 -6.787 -12.424 6.682 222 HA ARG 29 HA ARG 29 -5.321 -14.840 7.171 223 HB2 ARG 29 2HB ARG 29 -7.333 -14.881 5.823 224 HB3 ARG 29 1HB ARG 29 -6.636 -13.739 4.687 225 HG2 ARG 29 2HG ARG 29 -6.195 -15.587 3.507 226 HG3 ARG 29 1HG ARG 29 -4.793 -15.697 4.573 227 HD2 ARG 29 2HD ARG 29 -5.580 -17.776 4.953 228 HD3 ARG 29 1HD ARG 29 -6.641 -16.943 6.087 229 HE ARG 29 HE ARG 29 -7.694 -17.135 3.414 230 HH11 ARG 29 1HH1 ARG 29 -7.432 -18.710 6.517 231 HH12 ARG 29 2HH1 ARG 29 -8.854 -19.672 6.287 232 HH21 ARG 29 1HH2 ARG 29 -9.565 -18.398 3.111 233 HH22 ARG 29 2HH2 ARG 29 -10.065 -19.495 4.356 234 H LEU 30 H LEU 30 -4.732 -11.845 5.443 235 HA LEU 30 HA LEU 30 -2.588 -12.554 3.849 236 HB2 LEU 30 2HB LEU 30 -3.832 -10.323 4.029 237 HB3 LEU 30 1HB LEU 30 -2.723 -9.940 5.329 238 HG LEU 30 HG LEU 30 -2.008 -8.951 3.206 239 HD11 LEU 30 1HD1 LEU 30 -0.430 -10.070 5.021 240 HD12 LEU 30 2HD1 LEU 30 0.204 -9.329 3.552 241 HD13 LEU 30 3HD1 LEU 30 0.008 -11.078 3.641 242 HD21 LEU 30 3HD2 LEU 30 -1.337 -11.630 2.104 243 HD22 LEU 30 1HD2 LEU 30 -1.658 -10.111 1.268 244 HD23 LEU 30 2HD2 LEU 30 -2.993 -11.044 1.944 245 H LYS 31 H LYS 31 -2.398 -11.164 7.130 246 HA LYS 31 HA LYS 31 0.399 -11.667 7.363 247 HB2 LYS 31 2HB LYS 31 0.169 -10.910 9.645 248 HB3 LYS 31 1HB LYS 31 -0.769 -9.864 8.592 249 HG2 LYS 31 2HG LYS 31 -2.358 -12.058 9.601 250 HG3 LYS 31 1HG LYS 31 -1.641 -11.109 10.905 251 HD2 LYS 31 2HD LYS 31 -2.553 -9.210 9.092 252 HD3 LYS 31 1HD LYS 31 -3.813 -10.443 9.103 253 HE2 LYS 31 2HE LYS 31 -3.490 -10.277 11.709 254 HE3 LYS 31 1HE LYS 31 -2.850 -8.684 11.307 255 HZ1 LYS 31 3HZ LYS 31 -4.995 -8.094 11.440 256 HZ2 LYS 31 1HZ LYS 31 -5.572 -9.667 11.195 257 HZ3 LYS 31 2HZ LYS 31 -5.102 -8.722 9.872 258 H ALA 32 H ALA 32 -2.255 -13.711 7.541 259 HA ALA 32 HA ALA 32 -1.659 -15.411 9.664 260 HB1 ALA 32 1HB ALA 32 -3.738 -15.386 8.222 261 HB2 ALA 32 2HB ALA 32 -3.113 -16.977 8.658 262 HB3 ALA 32 3HB ALA 32 -2.818 -16.326 7.045 263 H GLY 33 H GLY 33 -0.108 -15.021 6.607 264 HA2 GLY 33 2HA GLY 33 2.251 -16.135 7.011 265 HA3 GLY 33 1HA GLY 33 1.261 -17.566 6.789 266 H GLU 34 H GLU 34 -0.417 -15.794 4.884 267 HA GLU 34 HA GLU 34 0.971 -16.632 2.509 268 HB2 GLU 34 2HB GLU 34 -0.978 -15.728 1.311 269 HB3 GLU 34 1HB GLU 34 -1.452 -16.809 2.612 270 HG2 GLU 34 2HG GLU 34 -1.858 -14.797 4.030 271 HG3 GLU 34 1HG GLU 34 -1.569 -13.807 2.602 272 H LYS 35 H LYS 35 1.456 -15.218 0.716 273 HA LYS 35 HA LYS 35 2.525 -12.653 1.655 274 HB2 LYS 35 2HB LYS 35 3.981 -14.437 0.519 275 HB3 LYS 35 1HB LYS 35 3.167 -13.978 -0.970 276 HG2 LYS 35 2HG LYS 35 3.964 -11.690 -0.714 277 HG3 LYS 35 1HG LYS 35 4.767 -12.135 0.794 278 HD2 LYS 35 2HD LYS 35 5.371 -13.594 -1.753 279 HD3 LYS 35 1HD LYS 35 6.155 -12.056 -1.388 280 HE2 LYS 35 2HE LYS 35 7.153 -12.928 0.576 281 HE3 LYS 35 1HE LYS 35 6.149 -14.377 0.527 282 HZ1 LYS 35 3HZ LYS 35 8.642 -14.298 -0.373 283 HZ2 LYS 35 1HZ LYS 35 7.824 -13.903 -1.801 284 HZ3 LYS 35 2HZ LYS 35 7.472 -15.347 -0.997 285 H PHE 36 H PHE 36 2.016 -10.733 0.723 286 HA PHE 36 HA PHE 36 -0.479 -10.290 -0.340 287 HB2 PHE 36 2HB PHE 36 0.617 -8.129 -1.275 288 HB3 PHE 36 1HB PHE 36 0.598 -8.384 0.466 289 HD1 PHE 36 1HD PHE 36 2.726 -8.750 -2.550 290 HD2 PHE 36 2HD PHE 36 2.583 -8.386 1.688 291 HE1 PHE 36 1HE PHE 36 5.173 -8.497 -2.493 292 HE2 PHE 36 2HE PHE 36 5.029 -8.134 1.753 293 HZ PHE 36 HZ PHE 36 6.329 -8.190 -0.339 294 H GLY 37 H GLY 37 2.470 -11.175 -1.990 295 HA2 GLY 37 2HA GLY 37 1.700 -10.541 -4.623 296 HA3 GLY 37 1HA GLY 37 2.907 -11.733 -4.170 297 H LYS 38 H LYS 38 1.071 -13.353 -2.614 298 HA LYS 38 HA LYS 38 0.121 -15.030 -4.690 299 HB2 LYS 38 2HB LYS 38 -0.254 -15.039 -1.701 300 HB3 LYS 38 1HB LYS 38 -1.010 -16.242 -2.736 301 HG2 LYS 38 2HG LYS 38 1.821 -15.955 -3.288 302 HG3 LYS 38 1HG LYS 38 1.503 -16.388 -1.608 303 HD2 LYS 38 2HD LYS 38 0.080 -17.845 -3.792 304 HD3 LYS 38 1HD LYS 38 1.761 -18.248 -3.434 305 HE2 LYS 38 2HE LYS 38 1.033 -18.482 -1.015 306 HE3 LYS 38 1HE LYS 38 -0.624 -18.417 -1.610 307 HZ1 LYS 38 3HZ LYS 38 -0.344 -20.633 -1.717 308 HZ2 LYS 38 1HZ LYS 38 1.342 -20.544 -1.826 309 HZ3 LYS 38 2HZ LYS 38 0.389 -20.285 -3.201 310 H LEU 39 H LEU 39 -1.629 -13.121 -2.237 311 HA LEU 39 HA LEU 39 -4.213 -13.643 -3.067 312 HB2 LEU 39 2HB LEU 39 -3.098 -11.099 -1.895 313 HB3 LEU 39 1HB LEU 39 -4.803 -11.443 -2.056 314 HG LEU 39 HG LEU 39 -4.296 -11.877 0.195 315 HD11 LEU 39 1HD1 LEU 39 -5.697 -13.589 -0.653 316 HD12 LEU 39 2HD1 LEU 39 -4.518 -14.354 0.412 317 HD13 LEU 39 3HD1 LEU 39 -4.328 -14.464 -1.338 318 HD21 LEU 39 3HD2 LEU 39 -1.771 -12.022 -0.318 319 HD22 LEU 39 1HD2 LEU 39 -2.065 -13.755 -0.474 320 HD23 LEU 39 2HD2 LEU 39 -2.420 -12.934 1.045 321 H ALA 40 H ALA 40 -1.848 -11.397 -4.353 322 HA ALA 40 HA ALA 40 -3.417 -9.739 -5.898 323 HB1 ALA 40 1HB ALA 40 -0.658 -10.824 -6.314 324 HB2 ALA 40 2HB ALA 40 -1.149 -9.211 -5.801 325 HB3 ALA 40 3HB ALA 40 -1.396 -9.719 -7.472 326 H LYS 41 H LYS 41 -1.982 -12.838 -6.853 327 HA LYS 41 HA LYS 41 -3.560 -12.913 -9.281 328 HB2 LYS 41 2HB LYS 41 -2.328 -14.948 -9.790 329 HB3 LYS 41 1HB LYS 41 -1.219 -13.673 -9.305 330 HG2 LYS 41 2HG LYS 41 -1.248 -14.686 -6.997 331 HG3 LYS 41 1HG LYS 41 -2.102 -16.057 -7.707 332 HD2 LYS 41 2HD LYS 41 -0.248 -16.850 -8.708 333 HD3 LYS 41 1HD LYS 41 0.320 -15.240 -9.151 334 HE2 LYS 41 2HE LYS 41 1.922 -15.912 -7.631 335 HE3 LYS 41 1HE LYS 41 0.809 -14.998 -6.613 336 HZ1 LYS 41 3HZ LYS 41 1.020 -16.868 -5.371 337 HZ2 LYS 41 1HZ LYS 41 1.312 -17.875 -6.700 338 HZ3 LYS 41 2HZ LYS 41 -0.263 -17.372 -6.349 339 H GLU 42 H GLU 42 -3.699 -14.148 -6.057 340 HA GLU 42 HA GLU 42 -5.290 -16.433 -6.584 341 HB2 GLU 42 2HB GLU 42 -4.073 -15.179 -4.332 342 HB3 GLU 42 1HB GLU 42 -5.734 -15.556 -3.929 343 HG2 GLU 42 2HG GLU 42 -4.332 -17.714 -5.300 344 HG3 GLU 42 1HG GLU 42 -3.629 -17.269 -3.746 345 H LEU 43 H LEU 43 -6.370 -13.522 -4.755 346 HA LEU 43 HA LEU 43 -9.007 -13.949 -6.004 347 HB2 LEU 43 2HB LEU 43 -9.910 -12.819 -3.882 348 HB3 LEU 43 1HB LEU 43 -9.430 -14.501 -3.810 349 HG LEU 43 HG LEU 43 -8.767 -13.081 -1.843 350 HD11 LEU 43 1HD1 LEU 43 -6.186 -14.009 -2.757 351 HD12 LEU 43 2HD1 LEU 43 -7.468 -15.171 -3.103 352 HD13 LEU 43 3HD1 LEU 43 -7.210 -14.610 -1.452 353 HD21 LEU 43 3HD2 LEU 43 -7.114 -11.470 -1.981 354 HD22 LEU 43 1HD2 LEU 43 -8.064 -11.163 -3.434 355 HD23 LEU 43 2HD2 LEU 43 -6.539 -12.042 -3.544 356 H SER 44 H SER 44 -6.465 -11.754 -5.627 357 HA SER 44 HA SER 44 -7.861 -9.313 -5.602 358 HB2 SER 44 2HB SER 44 -5.137 -10.228 -6.080 359 HB3 SER 44 1HB SER 44 -5.544 -8.803 -7.014 360 HG SER 44 HG SER 44 -5.075 -9.051 -4.364 361 H ILE 45 H ILE 45 -8.731 -8.058 -7.173 362 HA ILE 45 HA ILE 45 -8.879 -9.235 -9.869 363 HB ILE 45 HB ILE 45 -10.828 -7.467 -10.052 364 HG12 ILE 45 2HG1 ILE 45 -11.298 -8.137 -7.198 365 HG13 ILE 45 1HG1 ILE 45 -10.126 -6.870 -7.528 366 HG21 ILE 45 1HG2 ILE 45 -12.349 -9.279 -8.996 367 HG22 ILE 45 2HG2 ILE 45 -10.847 -10.181 -8.801 368 HG23 ILE 45 3HG2 ILE 45 -11.374 -9.685 -10.409 369 HD11 ILE 45 3HD1 ILE 45 -12.805 -6.514 -7.268 370 HD12 ILE 45 1HD1 ILE 45 -12.607 -6.578 -9.020 371 HD13 ILE 45 2HD1 ILE 45 -11.697 -5.399 -8.071 372 H ASP 46 H ASP 46 -7.267 -6.905 -8.212 373 HA ASP 46 HA ASP 46 -7.331 -4.566 -9.614 374 HB2 ASP 46 2HB ASP 46 -4.913 -4.319 -9.027 375 HB3 ASP 46 1HB ASP 46 -5.929 -4.793 -7.669 376 H GLY 47 H GLY 47 -6.655 -3.821 -11.552 377 HA2 GLY 47 2HA GLY 47 -6.251 -5.617 -13.676 378 HA3 GLY 47 1HA GLY 47 -5.979 -3.881 -13.745 379 H GLY 48 H GLY 48 -4.304 -5.036 -15.251 380 HA2 GLY 48 2HA GLY 48 -2.171 -6.369 -15.086 381 HA3 GLY 48 1HA GLY 48 -1.935 -4.676 -15.454 382 H SER 49 H SER 49 -2.336 -3.569 -12.882 383 HA SER 49 HA SER 49 0.181 -3.719 -11.771 384 HB2 SER 49 2HB SER 49 -1.527 -1.961 -11.291 385 HB3 SER 49 1HB SER 49 -2.354 -3.108 -10.239 386 HG SER 49 HG SER 49 0.352 -2.321 -9.920 387 H ALA 50 H ALA 50 -2.369 -6.014 -11.469 388 HA ALA 50 HA ALA 50 -1.604 -7.155 -8.974 389 HB1 ALA 50 1HB ALA 50 -3.798 -7.410 -10.458 390 HB2 ALA 50 2HB ALA 50 -3.304 -8.626 -9.281 391 HB3 ALA 50 3HB ALA 50 -2.944 -8.856 -10.994 392 H LYS 51 H LYS 51 -0.357 -7.345 -12.160 393 HA LYS 51 HA LYS 51 0.896 -9.907 -11.917 394 HB2 LYS 51 2HB LYS 51 0.602 -7.847 -13.930 395 HB3 LYS 51 1HB LYS 51 2.261 -8.417 -13.860 396 HG2 LYS 51 2HG LYS 51 1.744 -10.429 -14.718 397 HG3 LYS 51 1HG LYS 51 0.213 -10.523 -13.841 398 HD2 LYS 51 2HD LYS 51 -0.124 -10.400 -16.271 399 HD3 LYS 51 1HD LYS 51 -0.821 -9.010 -15.437 400 HE2 LYS 51 2HE LYS 51 0.981 -7.606 -16.101 401 HE3 LYS 51 1HE LYS 51 1.914 -8.978 -16.693 402 HZ1 LYS 51 3HZ LYS 51 -0.223 -9.245 -18.196 403 HZ2 LYS 51 1HZ LYS 51 1.063 -8.240 -18.642 404 HZ3 LYS 51 2HZ LYS 51 -0.324 -7.578 -17.938 405 H ARG 52 H ARG 52 1.427 -7.011 -10.449 406 HA ARG 52 HA ARG 52 4.326 -7.349 -10.266 407 HB2 ARG 52 2HB ARG 52 3.015 -5.004 -9.015 408 HB3 ARG 52 1HB ARG 52 4.511 -5.110 -9.921 409 HG2 ARG 52 2HG ARG 52 2.643 -5.601 -11.854 410 HG3 ARG 52 1HG ARG 52 1.829 -4.426 -10.821 411 HD2 ARG 52 2HD ARG 52 4.642 -3.830 -11.450 412 HD3 ARG 52 1HD ARG 52 3.533 -3.778 -12.819 413 HE ARG 52 HE ARG 52 2.535 -2.342 -10.563 414 HH11 ARG 52 1HH1 ARG 52 4.711 -2.142 -13.285 415 HH12 ARG 52 2HH1 ARG 52 4.631 -0.414 -13.381 416 HH21 ARG 52 1HH2 ARG 52 2.431 -0.069 -10.688 417 HH22 ARG 52 2HH2 ARG 52 3.339 0.762 -11.906 418 H ASP 53 H ASP 53 2.225 -8.964 -8.899 419 HA ASP 53 HA ASP 53 1.768 -9.890 -6.891 420 HB2 ASP 53 2HB ASP 53 3.580 -10.264 -5.415 421 HB3 ASP 53 1HB ASP 53 4.289 -10.168 -7.021 422 H GLY 54 H GLY 54 0.790 -7.252 -7.360 423 HA2 GLY 54 2HA GLY 54 -0.204 -5.497 -6.266 424 HA3 GLY 54 1HA GLY 54 -0.382 -6.638 -4.945 425 H SER 55 H SER 55 2.790 -5.762 -6.035 426 HA SER 55 HA SER 55 3.349 -4.593 -3.447 427 HB2 SER 55 2HB SER 55 4.918 -5.760 -5.633 428 HB3 SER 55 1HB SER 55 5.663 -4.335 -4.911 429 HG SER 55 HG SER 55 5.592 -6.804 -3.955 430 H LEU 56 H LEU 56 2.178 -2.675 -3.539 431 HA LEU 56 HA LEU 56 2.340 -0.776 -5.601 432 HB2 LEU 56 2HB LEU 56 1.602 -0.597 -2.696 433 HB3 LEU 56 1HB LEU 56 1.613 0.822 -3.710 434 HG LEU 56 HG LEU 56 -0.178 -1.585 -3.876 435 HD11 LEU 56 1HD1 LEU 56 -0.512 1.337 -3.370 436 HD12 LEU 56 2HD1 LEU 56 -1.147 -0.041 -2.470 437 HD13 LEU 56 3HD1 LEU 56 -1.849 0.393 -4.030 438 HD21 LEU 56 3HD2 LEU 56 0.067 -1.422 -6.117 439 HD22 LEU 56 1HD2 LEU 56 0.663 0.238 -6.043 440 HD23 LEU 56 2HD2 LEU 56 -1.066 -0.086 -5.911 441 H GLY 57 H GLY 57 4.597 -1.683 -3.210 442 HA2 GLY 57 2HA GLY 57 6.630 -0.836 -2.573 443 HA3 GLY 57 1HA GLY 57 6.681 -0.131 -4.180 444 H TYR 58 H TYR 58 7.943 1.449 -2.813 445 HA TYR 58 HA TYR 58 6.684 3.128 -0.977 446 HB2 TYR 58 2HB TYR 58 8.443 4.810 -1.766 447 HB3 TYR 58 1HB TYR 58 9.001 3.340 -1.002 448 HD1 TYR 58 1HD TYR 58 10.105 1.595 -2.367 449 HD2 TYR 58 2HD TYR 58 8.854 5.294 -4.059 450 HE1 TYR 58 1HE TYR 58 11.517 1.165 -4.336 451 HE2 TYR 58 2HE TYR 58 10.261 4.873 -6.034 452 HH TYR 58 HH TYR 58 12.667 2.594 -6.125 453 H PHE 59 H PHE 59 5.042 4.408 -1.240 454 HA PHE 59 HA PHE 59 4.881 6.075 -3.623 455 HB2 PHE 59 2HB PHE 59 2.434 5.727 -3.764 456 HB3 PHE 59 1HB PHE 59 3.366 4.293 -4.142 457 HD1 PHE 59 1HD PHE 59 1.669 5.935 -1.272 458 HD2 PHE 59 2HD PHE 59 2.757 2.288 -3.169 459 HE1 PHE 59 1HE PHE 59 0.382 4.686 0.408 460 HE2 PHE 59 2HE PHE 59 1.466 1.028 -1.493 461 HZ PHE 59 HZ PHE 59 0.277 2.231 0.299 462 H GLY 60 H GLY 60 4.091 8.056 -3.257 463 HA2 GLY 60 2HA GLY 60 3.922 8.799 -0.444 464 HA3 GLY 60 1HA GLY 60 4.092 9.898 -1.802 465 H ARG 61 H ARG 61 2.375 10.954 -0.320 466 HA ARG 61 HA ARG 61 -0.285 9.854 -0.652 467 HB2 ARG 61 2HB ARG 61 -0.956 11.856 0.714 468 HB3 ARG 61 1HB ARG 61 0.161 10.759 1.514 469 HG2 ARG 61 2HG ARG 61 1.708 12.339 1.736 470 HG3 ARG 61 1HG ARG 61 1.542 12.849 0.056 471 HD2 ARG 61 2HD ARG 61 -0.740 13.843 1.029 472 HD3 ARG 61 1HD ARG 61 0.232 13.887 2.499 473 HE ARG 61 HE ARG 61 0.443 15.636 0.284 474 HH11 ARG 61 1HH1 ARG 61 2.389 13.971 2.655 475 HH12 ARG 61 2HH1 ARG 61 3.664 15.140 2.613 476 HH21 ARG 61 1HH2 ARG 61 2.120 17.175 0.226 477 HH22 ARG 61 2HH2 ARG 61 3.512 16.960 1.234 478 H GLY 62 H GLY 62 -0.948 10.110 -2.719 479 HA2 GLY 62 2HA GLY 62 -2.184 12.194 -3.722 480 HA3 GLY 62 1HA GLY 62 -0.533 12.690 -4.019 481 H LYS 63 H LYS 63 -1.780 9.385 -4.262 482 HA LYS 63 HA LYS 63 -1.821 9.535 -7.160 483 HB2 LYS 63 2HB LYS 63 0.537 8.789 -5.900 484 HB3 LYS 63 1HB LYS 63 -0.202 7.256 -6.343 485 HG2 LYS 63 2HG LYS 63 -0.310 9.200 -8.497 486 HG3 LYS 63 1HG LYS 63 1.338 8.862 -7.967 487 HD2 LYS 63 2HD LYS 63 0.814 6.422 -8.179 488 HD3 LYS 63 1HD LYS 63 -0.728 6.879 -8.909 489 HE2 LYS 63 2HE LYS 63 0.565 8.160 -10.626 490 HE3 LYS 63 1HE LYS 63 2.038 7.462 -9.954 491 HZ1 LYS 63 3HZ LYS 63 0.614 5.264 -10.347 492 HZ2 LYS 63 1HZ LYS 63 1.634 5.919 -11.528 493 HZ3 LYS 63 2HZ LYS 63 -0.030 6.223 -11.583 494 H MET 64 H MET 64 -3.547 8.774 -4.723 495 HA MET 64 HA MET 64 -4.793 6.498 -6.016 496 HB2 MET 64 2HB MET 64 -4.945 5.279 -3.793 497 HB3 MET 64 1HB MET 64 -3.376 5.263 -4.587 498 HG2 MET 64 2HG MET 64 -3.511 7.531 -2.871 499 HG3 MET 64 1HG MET 64 -4.015 6.101 -1.973 500 HE1 MET 64 3HE MET 64 -1.374 3.976 -1.388 501 HE2 MET 64 1HE MET 64 -2.874 4.777 -0.924 502 HE3 MET 64 2HE MET 64 -1.326 5.411 -0.365 503 H VAL 65 H VAL 65 -6.839 5.860 -4.682 504 HA VAL 65 HA VAL 65 -8.517 8.104 -4.586 505 HB VAL 65 HB VAL 65 -10.217 6.623 -3.632 506 HG11 VAL 65 1HG1 VAL 65 -9.912 6.493 -6.002 507 HG12 VAL 65 2HG1 VAL 65 -10.170 4.858 -5.395 508 HG13 VAL 65 3HG1 VAL 65 -8.544 5.396 -5.817 509 HG21 VAL 65 3HG2 VAL 65 -8.165 5.380 -2.356 510 HG22 VAL 65 1HG2 VAL 65 -8.524 4.227 -3.639 511 HG23 VAL 65 2HG2 VAL 65 -9.790 4.718 -2.516 512 H LYS 66 H LYS 66 -9.719 8.935 -2.739 513 HA LYS 66 HA LYS 66 -8.041 9.810 -0.680 514 HB2 LYS 66 2HB LYS 66 -10.774 10.211 -1.507 515 HB3 LYS 66 1HB LYS 66 -10.672 10.108 0.246 516 HG2 LYS 66 2HG LYS 66 -10.187 12.280 0.161 517 HG3 LYS 66 1HG LYS 66 -8.580 11.758 -0.345 518 HD2 LYS 66 2HD LYS 66 -8.894 12.949 -2.204 519 HD3 LYS 66 1HD LYS 66 -10.080 11.734 -2.684 520 HE2 LYS 66 2HE LYS 66 -10.711 14.175 -1.029 521 HE3 LYS 66 1HE LYS 66 -10.928 14.073 -2.778 522 HZ1 LYS 66 3HZ LYS 66 -13.006 13.606 -1.787 523 HZ2 LYS 66 1HZ LYS 66 -12.333 12.507 -0.689 524 HZ3 LYS 66 2HZ LYS 66 -12.406 12.123 -2.333 525 HA PRO 67 HA PRO 67 -10.416 6.728 2.244 526 HB2 PRO 67 2HB PRO 67 -11.256 4.440 0.958 527 HB3 PRO 67 1HB PRO 67 -12.303 5.772 1.400 528 HG2 PRO 67 2HG PRO 67 -11.125 5.066 -1.225 529 HG3 PRO 67 1HG PRO 67 -12.677 5.834 -0.860 530 HD2 PRO 67 2HD PRO 67 -10.512 7.184 -1.807 531 HD3 PRO 67 1HD PRO 67 -11.758 7.925 -0.801 532 H PHE 68 H PHE 68 -8.838 5.350 -0.589 533 HA PHE 68 HA PHE 68 -7.457 3.320 0.894 534 HB2 PHE 68 2HB PHE 68 -8.080 3.277 -1.595 535 HB3 PHE 68 1HB PHE 68 -6.673 4.305 -1.844 536 HD1 PHE 68 1HD PHE 68 -7.817 0.969 -0.819 537 HD2 PHE 68 2HD PHE 68 -4.459 3.428 -1.715 538 HE1 PHE 68 1HE PHE 68 -6.384 -1.029 -0.923 539 HE2 PHE 68 2HE PHE 68 -3.023 1.434 -1.821 540 HZ PHE 68 HZ PHE 68 -3.985 -0.798 -1.426 541 H GLU 69 H GLU 69 -6.428 6.348 -0.682 542 HA GLU 69 HA GLU 69 -3.747 6.266 0.076 543 HB2 GLU 69 2HB GLU 69 -5.003 7.880 -1.520 544 HB3 GLU 69 1HB GLU 69 -5.281 8.842 -0.075 545 HG2 GLU 69 2HG GLU 69 -2.502 7.988 -0.521 546 HG3 GLU 69 1HG GLU 69 -3.156 9.120 -1.703 547 H ASP 70 H ASP 70 -6.596 7.251 1.839 548 HA ASP 70 HA ASP 70 -5.298 8.596 3.958 549 HB2 ASP 70 2HB ASP 70 -7.739 8.754 3.428 550 HB3 ASP 70 1HB ASP 70 -7.938 7.125 4.067 551 H ALA 71 H ALA 71 -6.484 5.258 3.660 552 HA ALA 71 HA ALA 71 -5.473 4.469 6.216 553 HB1 ALA 71 1HB ALA 71 -6.682 3.003 3.904 554 HB2 ALA 71 2HB ALA 71 -7.322 3.242 5.530 555 HB3 ALA 71 3HB ALA 71 -5.976 2.133 5.264 556 H ALA 72 H ALA 72 -3.958 5.019 3.267 557 HA ALA 72 HA ALA 72 -2.078 2.910 3.198 558 HB1 ALA 72 1HB ALA 72 -1.232 5.528 2.140 559 HB2 ALA 72 2HB ALA 72 -2.735 4.875 1.486 560 HB3 ALA 72 3HB ALA 72 -1.244 3.939 1.374 561 H PHE 73 H PHE 73 -1.883 6.200 4.525 562 HA PHE 73 HA PHE 73 0.715 5.600 5.704 563 HB2 PHE 73 2HB PHE 73 0.583 8.032 6.424 564 HB3 PHE 73 1HB PHE 73 0.620 7.743 4.687 565 HD1 PHE 73 1HD PHE 73 -1.765 8.284 7.489 566 HD2 PHE 73 2HD PHE 73 -0.968 8.728 3.332 567 HE1 PHE 73 1HE PHE 73 -3.843 9.575 7.233 568 HE2 PHE 73 2HE PHE 73 -3.044 10.021 3.070 569 HZ PHE 73 HZ PHE 73 -4.485 10.443 5.021 570 H ARG 74 H ARG 74 -2.057 4.563 6.636 571 HA ARG 74 HA ARG 74 -1.991 5.578 9.385 572 HB2 ARG 74 2HB ARG 74 -4.075 4.616 7.616 573 HB3 ARG 74 1HB ARG 74 -4.106 3.764 9.153 574 HG2 ARG 74 2HG ARG 74 -4.760 5.588 10.308 575 HG3 ARG 74 1HG ARG 74 -3.836 6.698 9.295 576 HD2 ARG 74 2HD ARG 74 -5.571 6.121 7.475 577 HD3 ARG 74 1HD ARG 74 -6.546 5.511 8.813 578 HE ARG 74 HE ARG 74 -6.000 8.261 8.173 579 HH11 ARG 74 1HH1 ARG 74 -6.918 6.034 10.698 580 HH12 ARG 74 2HH1 ARG 74 -7.699 7.246 11.656 581 HH21 ARG 74 1HH2 ARG 74 -7.026 9.857 9.432 582 HH22 ARG 74 2HH2 ARG 74 -7.760 9.417 10.938 583 H LEU 75 H LEU 75 -1.367 2.751 7.469 584 HA LEU 75 HA LEU 75 -0.964 1.154 9.898 585 HB2 LEU 75 2HB LEU 75 -1.257 0.379 7.008 586 HB3 LEU 75 1HB LEU 75 -0.766 -0.754 8.245 587 HG LEU 75 HG LEU 75 -3.435 0.308 7.612 588 HD11 LEU 75 1HD1 LEU 75 -3.942 -1.916 8.815 589 HD12 LEU 75 2HD1 LEU 75 -2.200 -2.179 8.709 590 HD13 LEU 75 3HD1 LEU 75 -3.150 -1.953 7.239 591 HD21 LEU 75 3HD2 LEU 75 -2.679 -0.185 10.493 592 HD22 LEU 75 1HD2 LEU 75 -4.285 0.186 9.867 593 HD23 LEU 75 2HD2 LEU 75 -3.010 1.401 9.797 594 H GLN 76 H GLN 76 0.959 2.840 9.917 595 HA GLN 76 HA GLN 76 3.217 2.231 8.298 596 HB2 GLN 76 2HB GLN 76 2.749 3.835 10.780 597 HB3 GLN 76 1HB GLN 76 4.399 3.442 10.319 598 HG2 GLN 76 2HG GLN 76 3.489 4.358 7.973 599 HG3 GLN 76 1HG GLN 76 2.461 5.280 9.068 600 HE21 GLN 76 1HE2 GLN 76 3.270 7.035 10.010 601 HE22 GLN 76 2HE2 GLN 76 4.928 7.518 9.966 602 H VAL 77 H VAL 77 1.769 0.767 11.001 603 HA VAL 77 HA VAL 77 4.010 -0.455 12.221 604 HB VAL 77 HB VAL 77 2.019 -0.397 13.501 605 HG11 VAL 77 1HG1 VAL 77 -0.001 -1.806 12.592 606 HG12 VAL 77 2HG1 VAL 77 0.735 -1.451 11.029 607 HG13 VAL 77 3HG1 VAL 77 0.235 -0.132 12.088 608 HG21 VAL 77 3HG2 VAL 77 3.363 -2.740 13.151 609 HG22 VAL 77 1HG2 VAL 77 1.696 -3.241 12.856 610 HG23 VAL 77 2HG2 VAL 77 2.131 -2.461 14.379 611 H GLY 78 H GLY 78 2.132 -1.188 9.389 612 HA2 GLY 78 2HA GLY 78 2.937 -2.607 7.659 613 HA3 GLY 78 1HA GLY 78 3.904 -3.447 8.852 614 H GLU 79 H GLU 79 0.485 -2.685 8.435 615 HA GLU 79 HA GLU 79 -0.113 -5.546 8.682 616 HB2 GLU 79 2HB GLU 79 -0.286 -4.094 10.840 617 HB3 GLU 79 1HB GLU 79 -1.768 -3.521 10.118 618 HG2 GLU 79 2HG GLU 79 -1.664 -6.377 10.006 619 HG3 GLU 79 1HG GLU 79 -1.362 -5.825 11.652 620 H VAL 80 H VAL 80 -2.620 -5.807 8.357 621 HA VAL 80 HA VAL 80 -3.188 -4.494 5.841 622 HB VAL 80 HB VAL 80 -4.865 -6.581 7.237 623 HG11 VAL 80 1HG1 VAL 80 -5.267 -6.861 4.557 624 HG12 VAL 80 2HG1 VAL 80 -5.064 -5.117 4.706 625 HG13 VAL 80 3HG1 VAL 80 -6.310 -5.941 5.641 626 HG21 VAL 80 3HG2 VAL 80 -2.631 -7.461 6.836 627 HG22 VAL 80 1HG2 VAL 80 -2.717 -6.951 5.150 628 HG23 VAL 80 2HG2 VAL 80 -3.798 -8.211 5.746 629 H SER 81 H SER 81 -5.079 -3.283 5.421 630 HA SER 81 HA SER 81 -6.199 -2.047 7.837 631 HB2 SER 81 2HB SER 81 -6.458 -0.899 5.071 632 HB3 SER 81 1HB SER 81 -6.497 -0.066 6.624 633 HG SER 81 HG SER 81 -4.317 -0.944 5.124 634 H GLU 82 H GLU 82 -8.428 -1.437 7.855 635 HA GLU 82 HA GLU 82 -10.196 -3.483 7.401 636 HB2 GLU 82 2HB GLU 82 -10.764 -0.521 7.564 637 HB3 GLU 82 1HB GLU 82 -11.987 -1.777 7.692 638 HG2 GLU 82 2HG GLU 82 -11.628 -1.799 9.873 639 HG3 GLU 82 1HG GLU 82 -10.038 -2.486 9.547 640 HA PRO 83 HA PRO 83 -11.402 -3.666 3.191 641 HB2 PRO 83 2HB PRO 83 -14.170 -3.658 3.443 642 HB3 PRO 83 1HB PRO 83 -13.140 -5.086 3.574 643 HG2 PRO 83 2HG PRO 83 -14.320 -3.392 5.731 644 HG3 PRO 83 1HG PRO 83 -14.103 -5.151 5.675 645 HD2 PRO 83 2HD PRO 83 -12.469 -3.587 7.113 646 HD3 PRO 83 1HD PRO 83 -11.860 -5.018 6.255 647 H VAL 84 H VAL 84 -10.878 -1.790 2.203 648 HA VAL 84 HA VAL 84 -12.593 0.559 2.611 649 HB VAL 84 HB VAL 84 -9.947 0.342 1.161 650 HG11 VAL 84 1HG1 VAL 84 -11.624 2.748 1.865 651 HG12 VAL 84 2HG1 VAL 84 -11.285 2.125 0.248 652 HG13 VAL 84 3HG1 VAL 84 -9.983 2.807 1.221 653 HG21 VAL 84 3HG2 VAL 84 -10.664 1.157 3.950 654 HG22 VAL 84 1HG2 VAL 84 -9.236 1.817 3.152 655 HG23 VAL 84 2HG2 VAL 84 -9.384 0.076 3.395 656 H LYS 85 H LYS 85 -14.298 0.561 1.293 657 HA LYS 85 HA LYS 85 -14.084 -0.528 -1.398 658 HB2 LYS 85 2HB LYS 85 -16.038 -1.189 -0.175 659 HB3 LYS 85 1HB LYS 85 -16.417 0.475 0.233 660 HG2 LYS 85 2HG LYS 85 -17.927 -0.191 -1.460 661 HG3 LYS 85 1HG LYS 85 -16.764 0.901 -2.212 662 HD2 LYS 85 2HD LYS 85 -15.884 -0.726 -3.517 663 HD3 LYS 85 1HD LYS 85 -16.085 -1.972 -2.284 664 HE2 LYS 85 2HE LYS 85 -18.457 -2.107 -2.770 665 HE3 LYS 85 1HE LYS 85 -18.313 -0.800 -3.943 666 HZ1 LYS 85 3HZ LYS 85 -17.298 -2.146 -5.458 667 HZ2 LYS 85 1HZ LYS 85 -18.281 -3.289 -4.691 668 HZ3 LYS 85 2HZ LYS 85 -16.641 -3.182 -4.294 669 H SER 86 H SER 86 -13.372 0.757 -2.949 670 HA SER 86 HA SER 86 -14.077 3.615 -2.852 671 HB2 SER 86 2HB SER 86 -11.969 2.731 -4.731 672 HB3 SER 86 1HB SER 86 -12.023 4.145 -3.681 673 HG SER 86 HG SER 86 -10.468 2.355 -3.186 674 H GLU 87 H GLU 87 -13.680 4.366 -5.423 675 HA GLU 87 HA GLU 87 -16.057 3.648 -6.692 676 HB2 GLU 87 2HB GLU 87 -14.937 4.680 -8.751 677 HB3 GLU 87 1HB GLU 87 -15.121 5.703 -7.332 678 HG2 GLU 87 2HG GLU 87 -12.601 4.273 -7.327 679 HG3 GLU 87 1HG GLU 87 -12.805 5.268 -8.767 680 H PHE 88 H PHE 88 -13.063 1.985 -6.574 681 HA PHE 88 HA PHE 88 -13.610 0.458 -8.995 682 HB2 PHE 88 2HB PHE 88 -11.266 0.795 -7.185 683 HB3 PHE 88 1HB PHE 88 -11.394 -0.701 -8.100 684 HD1 PHE 88 1HD PHE 88 -11.586 2.989 -8.573 685 HD2 PHE 88 2HD PHE 88 -10.499 -0.782 -10.221 686 HE1 PHE 88 1HE PHE 88 -10.633 4.126 -10.536 687 HE2 PHE 88 2HE PHE 88 -9.542 0.350 -12.187 688 HZ PHE 88 HZ PHE 88 -9.609 2.807 -12.346 689 H GLY 89 H GLY 89 -13.443 -0.005 -5.484 690 HA2 GLY 89 2HA GLY 89 -15.360 -1.848 -5.104 691 HA3 GLY 89 1HA GLY 89 -14.058 -2.836 -5.738 692 H TYR 90 H TYR 90 -14.389 -3.888 -3.626 693 HA TYR 90 HA TYR 90 -13.603 -2.518 -1.258 694 HB2 TYR 90 2HB TYR 90 -13.834 -5.484 -1.779 695 HB3 TYR 90 1HB TYR 90 -13.845 -4.691 -0.229 696 HD1 TYR 90 1HD TYR 90 -15.746 -3.065 0.287 697 HD2 TYR 90 2HD TYR 90 -15.846 -5.838 -2.932 698 HE1 TYR 90 1HE TYR 90 -18.193 -2.841 0.180 699 HE2 TYR 90 2HE TYR 90 -18.292 -5.624 -3.053 700 HH TYR 90 HH TYR 90 -20.152 -4.950 -1.707 701 H HIS 91 H HIS 91 -11.597 -1.706 -1.384 702 HA HIS 91 HA HIS 91 -9.381 -3.250 -2.404 703 HB2 HIS 91 2HB HIS 91 -9.528 -0.478 -1.213 704 HB3 HIS 91 1HB HIS 91 -8.082 -1.188 -1.915 705 HD1 HIS 91 1HD HIS 91 -11.426 0.213 -2.839 706 HD2 HIS 91 2HD HIS 91 -7.999 -1.218 -4.702 707 HE1 HIS 91 1HE HIS 91 -11.662 0.848 -5.260 708 HE2 HIS 91 2HE HIS 91 -9.524 0.074 -6.344 709 H VAL 92 H VAL 92 -7.293 -3.156 -1.173 710 HA VAL 92 HA VAL 92 -7.538 -3.371 1.724 711 HB VAL 92 HB VAL 92 -6.325 -5.611 0.094 712 HG11 VAL 92 1HG1 VAL 92 -5.231 -5.510 2.172 713 HG12 VAL 92 2HG1 VAL 92 -6.453 -6.766 2.358 714 HG13 VAL 92 3HG1 VAL 92 -6.727 -5.162 3.037 715 HG21 VAL 92 3HG2 VAL 92 -9.060 -5.236 1.205 716 HG22 VAL 92 1HG2 VAL 92 -8.342 -6.846 1.256 717 HG23 VAL 92 2HG2 VAL 92 -8.544 -6.021 -0.288 718 H ILE 93 H ILE 93 -5.537 -3.040 2.804 719 HA ILE 93 HA ILE 93 -3.249 -2.416 1.066 720 HB ILE 93 HB ILE 93 -3.372 -0.617 3.346 721 HG12 ILE 93 2HG1 ILE 93 -5.605 -0.480 1.309 722 HG13 ILE 93 1HG1 ILE 93 -5.778 -0.713 3.044 723 HG21 ILE 93 1HG2 ILE 93 -2.191 0.645 1.949 724 HG22 ILE 93 2HG2 ILE 93 -3.454 0.596 0.720 725 HG23 ILE 93 3HG2 ILE 93 -2.259 -0.698 0.809 726 HD11 ILE 93 3HD1 ILE 93 -4.981 1.519 3.463 727 HD12 ILE 93 1HD1 ILE 93 -6.318 1.570 2.316 728 HD13 ILE 93 2HD1 ILE 93 -4.659 1.759 1.746 729 H LYS 94 H LYS 94 -1.467 -3.397 1.683 730 HA LYS 94 HA LYS 94 -1.049 -3.976 4.539 731 HB2 LYS 94 2HB LYS 94 -1.687 -5.978 2.970 732 HB3 LYS 94 1HB LYS 94 -0.019 -5.843 2.430 733 HG2 LYS 94 2HG LYS 94 -0.869 -6.237 5.291 734 HG3 LYS 94 1HG LYS 94 -0.338 -7.522 4.204 735 HD2 LYS 94 2HD LYS 94 1.757 -5.968 3.903 736 HD3 LYS 94 1HD LYS 94 1.234 -5.318 5.458 737 HE2 LYS 94 2HE LYS 94 1.565 -8.267 5.009 738 HE3 LYS 94 1HE LYS 94 2.925 -7.245 5.468 739 HZ1 LYS 94 3HZ LYS 94 1.637 -6.549 7.430 740 HZ2 LYS 94 1HZ LYS 94 1.955 -8.210 7.419 741 HZ3 LYS 94 2HZ LYS 94 0.417 -7.641 7.006 742 H ARG 95 H ARG 95 0.575 -2.688 5.135 743 HA ARG 95 HA ARG 95 2.382 -1.442 3.453 744 HB2 ARG 95 2HB ARG 95 1.865 -1.521 6.235 745 HB3 ARG 95 1HB ARG 95 3.592 -1.773 6.020 746 HG2 ARG 95 2HG ARG 95 3.085 0.303 4.309 747 HG3 ARG 95 1HG ARG 95 1.985 0.630 5.649 748 HD2 ARG 95 2HD ARG 95 4.098 1.723 6.058 749 HD3 ARG 95 1HD ARG 95 3.880 0.413 7.216 750 HE ARG 95 HE ARG 95 5.329 -0.491 4.958 751 HH11 ARG 95 1HH1 ARG 95 5.676 1.450 7.840 752 HH12 ARG 95 2HH1 ARG 95 7.378 1.164 7.978 753 HH21 ARG 95 1HH2 ARG 95 7.568 -0.868 5.139 754 HH22 ARG 95 2HH2 ARG 95 8.452 -0.152 6.445 755 H LEU 96 H LEU 96 4.242 -1.934 2.563 756 HA LEU 96 HA LEU 96 5.960 -3.988 3.529 757 HB2 LEU 96 2HB LEU 96 5.582 -5.599 2.017 758 HB3 LEU 96 1HB LEU 96 3.993 -4.887 1.928 759 HG LEU 96 HG LEU 96 4.992 -3.478 -0.013 760 HD11 LEU 96 1HD1 LEU 96 6.684 -5.117 -1.210 761 HD12 LEU 96 2HD1 LEU 96 7.081 -5.535 0.456 762 HD13 LEU 96 3HD1 LEU 96 7.241 -3.867 -0.096 763 HD21 LEU 96 3HD2 LEU 96 3.707 -6.017 0.130 764 HD22 LEU 96 1HD2 LEU 96 4.814 -6.010 -1.242 765 HD23 LEU 96 2HD2 LEU 96 3.569 -4.769 -1.108 766 H GLY 97 H GLY 97 7.865 -3.070 3.355 767 HA2 GLY 97 2HA GLY 97 8.750 -1.940 0.846 768 HA3 GLY 97 1HA GLY 97 8.616 -0.784 2.156 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 28.618 5.742 -1.404 2 H2 GLY 1 2HT GLY 1 29.517 6.846 -0.490 3 H3 GLY 1 3HT GLY 1 28.662 7.373 -1.851 4 HA2 GLY 1 1HA GLY 1 27.203 6.085 0.349 5 HA3 GLY 1 2HA GLY 1 27.696 7.763 0.514 6 HA PRO 2 HA PRO 2 24.619 7.268 -3.362 7 HB2 PRO 2 2HB PRO 2 23.003 5.153 -2.021 8 HB3 PRO 2 1HB PRO 2 23.333 5.396 -3.740 9 HG2 PRO 2 2HG PRO 2 24.577 3.477 -2.381 10 HG3 PRO 2 1HG PRO 2 25.437 4.426 -3.610 11 HD2 PRO 2 2HD PRO 2 25.578 4.601 -0.634 12 HD3 PRO 2 1HD PRO 2 26.858 4.832 -1.842 13 H MET 3 H MET 3 22.728 8.472 -3.394 14 HA MET 3 HA MET 3 21.259 8.855 -0.905 15 HB2 MET 3 2HB MET 3 21.418 11.325 -1.109 16 HB3 MET 3 1HB MET 3 22.959 10.560 -0.750 17 HG2 MET 3 2HG MET 3 23.313 10.631 -3.311 18 HG3 MET 3 1HG MET 3 22.030 11.841 -3.282 19 HE1 MET 3 3HE MET 3 25.257 11.928 -0.332 20 HE2 MET 3 1HE MET 3 26.205 11.801 -1.814 21 HE3 MET 3 2HE MET 3 24.967 10.598 -1.455 22 H GLY 4 H GLY 4 19.143 9.509 -1.184 23 HA2 GLY 4 2HA GLY 4 17.704 10.760 -2.937 24 HA3 GLY 4 1HA GLY 4 18.200 9.426 -3.968 25 H SER 5 H SER 5 18.114 7.549 -1.653 26 HA SER 5 HA SER 5 15.278 6.952 -1.844 27 HB2 SER 5 2HB SER 5 16.063 4.861 -0.516 28 HB3 SER 5 1HB SER 5 16.564 5.028 -2.199 29 HG SER 5 HG SER 5 18.104 5.729 0.082 30 H MET 6 H MET 6 13.852 6.871 -0.158 31 HA MET 6 HA MET 6 14.745 7.343 2.557 32 HB2 MET 6 2HB MET 6 14.073 9.541 0.987 33 HB3 MET 6 1HB MET 6 12.619 9.229 1.924 34 HG2 MET 6 2HG MET 6 13.918 9.340 3.985 35 HG3 MET 6 1HG MET 6 15.380 9.637 3.050 36 HE1 MET 6 3HE MET 6 15.828 13.030 3.122 37 HE2 MET 6 1HE MET 6 16.273 11.416 3.676 38 HE3 MET 6 2HE MET 6 15.397 12.509 4.750 39 H ALA 7 H ALA 7 12.581 7.699 3.948 40 HA ALA 7 HA ALA 7 10.643 5.694 2.990 41 HB1 ALA 7 1HB ALA 7 12.311 5.267 5.054 42 HB2 ALA 7 2HB ALA 7 10.703 4.553 4.932 43 HB3 ALA 7 3HB ALA 7 10.953 6.004 5.903 44 H ASP 8 H ASP 8 10.686 8.723 2.944 45 HA ASP 8 HA ASP 8 8.896 9.813 4.776 46 HB2 ASP 8 2HB ASP 8 9.535 10.480 1.909 47 HB3 ASP 8 1HB ASP 8 8.353 11.411 2.825 48 H LYS 9 H LYS 9 8.295 8.305 1.648 49 HA LYS 9 HA LYS 9 5.436 8.419 2.009 50 HB2 LYS 9 2HB LYS 9 5.220 7.826 -0.221 51 HB3 LYS 9 1HB LYS 9 6.693 8.773 -0.206 52 HG2 LYS 9 2HG LYS 9 6.598 5.785 -0.134 53 HG3 LYS 9 1HG LYS 9 6.825 6.744 -1.594 54 HD2 LYS 9 2HD LYS 9 8.634 6.751 0.829 55 HD3 LYS 9 1HD LYS 9 8.981 5.969 -0.707 56 HE2 LYS 9 2HE LYS 9 8.704 8.258 -1.771 57 HE3 LYS 9 1HE LYS 9 8.747 8.908 -0.134 58 HZ1 LYS 9 3HZ LYS 9 10.915 7.441 -0.039 59 HZ2 LYS 9 1HZ LYS 9 10.939 9.019 -0.656 60 HZ3 LYS 9 2HZ LYS 9 10.889 7.697 -1.712 61 H ILE 10 H ILE 10 4.279 6.238 1.239 62 HA ILE 10 HA ILE 10 5.305 4.217 3.112 63 HB ILE 10 HB ILE 10 2.492 4.105 2.133 64 HG12 ILE 10 2HG1 ILE 10 2.438 5.473 4.605 65 HG13 ILE 10 1HG1 ILE 10 3.580 6.351 3.594 66 HG21 ILE 10 1HG2 ILE 10 2.086 2.988 4.173 67 HG22 ILE 10 2HG2 ILE 10 3.642 3.492 4.839 68 HG23 ILE 10 3HG2 ILE 10 3.582 2.332 3.510 69 HD11 ILE 10 3HD1 ILE 10 0.691 6.213 3.456 70 HD12 ILE 10 1HD1 ILE 10 1.464 5.890 1.903 71 HD13 ILE 10 2HD1 ILE 10 1.807 7.391 2.765 72 H LYS 11 H LYS 11 5.621 2.225 2.512 73 HA LYS 11 HA LYS 11 5.189 1.567 -0.311 74 HB2 LYS 11 2HB LYS 11 7.125 0.093 1.442 75 HB3 LYS 11 1HB LYS 11 7.170 0.356 -0.298 76 HG2 LYS 11 2HG LYS 11 8.459 2.146 -0.069 77 HG3 LYS 11 1HG LYS 11 7.345 2.900 1.088 78 HD2 LYS 11 2HD LYS 11 9.176 2.658 2.428 79 HD3 LYS 11 1HD LYS 11 8.442 1.076 2.695 80 HE2 LYS 11 2HE LYS 11 10.329 0.139 1.990 81 HE3 LYS 11 1HE LYS 11 10.020 0.815 0.391 82 HZ1 LYS 11 3HZ LYS 11 11.276 2.513 2.430 83 HZ2 LYS 11 1HZ LYS 11 11.447 2.548 0.747 84 HZ3 LYS 11 2HZ LYS 11 12.220 1.346 1.652 85 H CYS 12 H CYS 12 3.082 0.783 -0.043 86 HA CYS 12 HA CYS 12 2.912 -1.675 1.551 87 HB2 CYS 12 2HB CYS 12 0.621 0.198 1.004 88 HB3 CYS 12 1HB CYS 12 0.587 -1.230 2.021 89 HG CYS 12 HG CYS 12 2.581 0.578 3.203 90 H SER 13 H SER 13 0.769 -2.904 0.771 91 HA SER 13 HA SER 13 0.965 -3.162 -2.158 92 HB2 SER 13 2HB SER 13 1.621 -5.283 -1.816 93 HB3 SER 13 1HB SER 13 1.380 -5.123 -0.077 94 HG SER 13 HG SER 13 -0.296 -6.184 -2.022 95 H HIS 14 H HIS 14 -1.036 -4.119 -3.165 96 HA HIS 14 HA HIS 14 -3.440 -3.499 -1.609 97 HB2 HIS 14 2HB HIS 14 -4.397 -2.148 -3.272 98 HB3 HIS 14 1HB HIS 14 -2.732 -1.598 -3.161 99 HD1 HIS 14 1HD HIS 14 -1.830 -4.229 -4.958 100 HD2 HIS 14 2HD HIS 14 -4.474 -1.175 -5.928 101 HE1 HIS 14 1HE HIS 14 -1.908 -4.178 -7.471 102 HE2 HIS 14 2HE HIS 14 -3.444 -2.264 -8.036 103 H ILE 15 H ILE 15 -5.304 -4.581 -2.134 104 HA ILE 15 HA ILE 15 -5.233 -6.604 -4.234 105 HB ILE 15 HB ILE 15 -5.553 -7.239 -1.300 106 HG12 ILE 15 2HG1 ILE 15 -3.957 -9.152 -2.321 107 HG13 ILE 15 1HG1 ILE 15 -3.590 -7.847 -3.438 108 HG21 ILE 15 1HG2 ILE 15 -6.407 -9.375 -1.776 109 HG22 ILE 15 2HG2 ILE 15 -6.076 -9.216 -3.500 110 HG23 ILE 15 3HG2 ILE 15 -7.372 -8.276 -2.761 111 HD11 ILE 15 3HD1 ILE 15 -3.065 -8.044 -0.516 112 HD12 ILE 15 1HD1 ILE 15 -3.265 -6.457 -1.259 113 HD13 ILE 15 2HD1 ILE 15 -1.995 -7.542 -1.826 114 H LEU 16 H LEU 16 -7.042 -6.267 -5.346 115 HA LEU 16 HA LEU 16 -9.384 -5.165 -3.981 116 HB2 LEU 16 2HB LEU 16 -8.217 -4.879 -6.609 117 HB3 LEU 16 1HB LEU 16 -9.908 -5.314 -6.724 118 HG LEU 16 HG LEU 16 -9.025 -3.047 -4.973 119 HD11 LEU 16 1HD1 LEU 16 -9.778 -1.659 -7.041 120 HD12 LEU 16 2HD1 LEU 16 -9.325 -3.108 -7.942 121 HD13 LEU 16 3HD1 LEU 16 -8.127 -2.274 -6.950 122 HD21 LEU 16 3HD2 LEU 16 -11.575 -4.024 -6.172 123 HD22 LEU 16 1HD2 LEU 16 -11.385 -2.311 -5.803 124 HD23 LEU 16 2HD2 LEU 16 -11.234 -3.509 -4.520 125 H VAL 17 H VAL 17 -11.170 -6.289 -3.629 126 HA VAL 17 HA VAL 17 -11.800 -8.619 -5.271 127 HB VAL 17 HB VAL 17 -12.260 -10.051 -3.375 128 HG11 VAL 17 1HG1 VAL 17 -9.591 -9.319 -2.492 129 HG12 VAL 17 2HG1 VAL 17 -9.736 -9.356 -4.248 130 HG13 VAL 17 3HG1 VAL 17 -10.154 -10.781 -3.302 131 HG21 VAL 17 3HG2 VAL 17 -12.877 -8.920 -1.518 132 HG22 VAL 17 1HG2 VAL 17 -11.790 -7.571 -1.846 133 HG23 VAL 17 2HG2 VAL 17 -11.166 -9.053 -1.123 134 H LYS 18 H LYS 18 -13.978 -8.737 -5.686 135 HA LYS 18 HA LYS 18 -15.604 -6.566 -4.810 136 HB2 LYS 18 2HB LYS 18 -16.069 -9.001 -6.499 137 HB3 LYS 18 1HB LYS 18 -17.447 -8.065 -5.939 138 HG2 LYS 18 2HG LYS 18 -16.938 -6.266 -7.246 139 HG3 LYS 18 1HG LYS 18 -15.209 -6.621 -7.254 140 HD2 LYS 18 2HD LYS 18 -16.099 -8.784 -8.555 141 HD3 LYS 18 1HD LYS 18 -17.371 -7.645 -8.999 142 HE2 LYS 18 2HE LYS 18 -14.678 -6.537 -9.217 143 HE3 LYS 18 1HE LYS 18 -14.956 -7.923 -10.270 144 HZ1 LYS 18 3HZ LYS 18 -17.180 -6.531 -10.691 145 HZ2 LYS 18 1HZ LYS 18 -15.779 -6.344 -11.621 146 HZ3 LYS 18 2HZ LYS 18 -16.112 -5.261 -10.366 147 H LYS 19 H LYS 19 -15.314 -9.943 -3.873 148 HA LYS 19 HA LYS 19 -17.603 -9.930 -2.185 149 HB2 LYS 19 2HB LYS 19 -16.279 -11.988 -1.197 150 HB3 LYS 19 1HB LYS 19 -17.039 -12.066 -2.776 151 HG2 LYS 19 2HG LYS 19 -15.080 -12.136 -3.896 152 HG3 LYS 19 1HG LYS 19 -14.223 -11.181 -2.689 153 HD2 LYS 19 2HD LYS 19 -13.436 -13.036 -1.737 154 HD3 LYS 19 1HD LYS 19 -15.071 -13.658 -1.520 155 HE2 LYS 19 2HE LYS 19 -14.835 -14.206 -4.086 156 HE3 LYS 19 1HE LYS 19 -13.113 -14.158 -3.708 157 HZ1 LYS 19 3HZ LYS 19 -13.384 -16.268 -3.094 158 HZ2 LYS 19 1HZ LYS 19 -15.071 -16.151 -3.056 159 HZ3 LYS 19 2HZ LYS 19 -14.160 -15.675 -1.713 160 H GLN 20 H GLN 20 -17.204 -7.909 -1.173 161 HA GLN 20 HA GLN 20 -15.080 -7.059 0.272 162 HB2 GLN 20 2HB GLN 20 -17.047 -5.693 -0.105 163 HB3 GLN 20 1HB GLN 20 -17.997 -6.714 0.963 164 HG2 GLN 20 2HG GLN 20 -15.630 -5.683 2.274 165 HG3 GLN 20 1HG GLN 20 -16.655 -4.396 1.645 166 HE21 GLN 20 1HE2 GLN 20 -16.231 -6.744 4.066 167 HE22 GLN 20 2HE2 GLN 20 -17.708 -6.474 4.921 168 H GLY 21 H GLY 21 -17.219 -9.647 1.215 169 HA2 GLY 21 2HA GLY 21 -16.610 -9.548 3.985 170 HA3 GLY 21 1HA GLY 21 -17.215 -10.958 3.124 171 H GLU 22 H GLU 22 -15.020 -10.896 1.207 172 HA GLU 22 HA GLU 22 -13.147 -12.473 2.668 173 HB2 GLU 22 2HB GLU 22 -12.136 -12.898 0.601 174 HB3 GLU 22 1HB GLU 22 -13.835 -12.703 0.210 175 HG2 GLU 22 2HG GLU 22 -13.387 -11.058 -1.180 176 HG3 GLU 22 1HG GLU 22 -12.439 -10.203 0.021 177 H ALA 23 H ALA 23 -13.223 -9.235 1.327 178 HA ALA 23 HA ALA 23 -10.590 -8.449 1.651 179 HB1 ALA 23 1HB ALA 23 -13.110 -6.811 1.985 180 HB2 ALA 23 2HB ALA 23 -12.185 -7.036 0.500 181 HB3 ALA 23 3HB ALA 23 -11.488 -6.135 1.847 182 H LEU 24 H LEU 24 -13.195 -8.700 3.990 183 HA LEU 24 HA LEU 24 -11.771 -7.483 6.158 184 HB2 LEU 24 2HB LEU 24 -14.341 -7.846 5.795 185 HB3 LEU 24 1HB LEU 24 -14.038 -9.403 6.533 186 HG LEU 24 HG LEU 24 -14.853 -7.780 8.167 187 HD11 LEU 24 1HD1 LEU 24 -13.462 -8.439 9.855 188 HD12 LEU 24 2HD1 LEU 24 -11.999 -8.163 8.908 189 HD13 LEU 24 3HD1 LEU 24 -12.995 -9.585 8.598 190 HD21 LEU 24 3HD2 LEU 24 -13.991 -5.744 7.149 191 HD22 LEU 24 1HD2 LEU 24 -12.342 -6.242 7.519 192 HD23 LEU 24 2HD2 LEU 24 -13.465 -5.876 8.826 193 H ALA 25 H ALA 25 -12.056 -10.695 4.856 194 HA ALA 25 HA ALA 25 -10.876 -11.950 7.182 195 HB1 ALA 25 1HB ALA 25 -11.873 -12.954 4.541 196 HB2 ALA 25 2HB ALA 25 -12.499 -13.275 6.157 197 HB3 ALA 25 3HB ALA 25 -10.972 -13.996 5.644 198 H VAL 26 H VAL 26 -9.923 -11.208 3.854 199 HA VAL 26 HA VAL 26 -7.492 -12.527 3.766 200 HB VAL 26 HB VAL 26 -6.889 -11.188 1.927 201 HG11 VAL 26 1HG1 VAL 26 -8.559 -11.893 0.642 202 HG12 VAL 26 2HG1 VAL 26 -9.679 -10.727 1.345 203 HG13 VAL 26 3HG1 VAL 26 -9.435 -12.293 2.120 204 HG21 VAL 26 3HG2 VAL 26 -8.782 -9.093 2.986 205 HG22 VAL 26 1HG2 VAL 26 -7.970 -9.011 1.423 206 HG23 VAL 26 2HG2 VAL 26 -7.023 -8.995 2.912 207 H GLN 27 H GLN 27 -8.313 -9.450 5.240 208 HA GLN 27 HA GLN 27 -5.812 -8.344 5.593 209 HB2 GLN 27 2HB GLN 27 -6.741 -7.151 7.505 210 HB3 GLN 27 1HB GLN 27 -7.916 -7.216 6.197 211 HG2 GLN 27 2HG GLN 27 -8.995 -9.123 7.346 212 HG3 GLN 27 1HG GLN 27 -7.899 -8.877 8.697 213 HE21 GLN 27 1HE2 GLN 27 -9.630 -6.557 6.656 214 HE22 GLN 27 2HE2 GLN 27 -10.480 -5.792 7.950 215 H GLU 28 H GLU 28 -7.485 -10.542 7.863 216 HA GLU 28 HA GLU 28 -5.173 -10.869 9.508 217 HB2 GLU 28 2HB GLU 28 -6.931 -11.344 10.839 218 HB3 GLU 28 1HB GLU 28 -7.959 -11.783 9.483 219 HG2 GLU 28 2HG GLU 28 -7.015 -13.999 9.430 220 HG3 GLU 28 1HG GLU 28 -5.864 -13.572 10.696 221 H ARG 29 H ARG 29 -6.566 -12.513 6.778 222 HA ARG 29 HA ARG 29 -5.143 -14.947 6.979 223 HB2 ARG 29 2HB ARG 29 -7.234 -14.393 5.599 224 HB3 ARG 29 1HB ARG 29 -6.123 -13.723 4.413 225 HG2 ARG 29 2HG ARG 29 -6.749 -15.979 3.826 226 HG3 ARG 29 1HG ARG 29 -5.028 -15.896 4.209 227 HD2 ARG 29 2HD ARG 29 -5.383 -16.878 6.354 228 HD3 ARG 29 1HD ARG 29 -7.133 -16.740 6.191 229 HE ARG 29 HE ARG 29 -5.455 -18.810 5.133 230 HH11 ARG 29 1HH1 ARG 29 -8.463 -17.092 4.695 231 HH12 ARG 29 2HH1 ARG 29 -9.219 -18.387 3.829 232 HH21 ARG 29 1HH2 ARG 29 -6.449 -20.512 3.993 233 HH22 ARG 29 2HH2 ARG 29 -8.077 -20.329 3.432 234 H LEU 30 H LEU 30 -4.454 -11.891 5.368 235 HA LEU 30 HA LEU 30 -2.346 -12.621 3.746 236 HB2 LEU 30 2HB LEU 30 -3.526 -10.356 4.027 237 HB3 LEU 30 1HB LEU 30 -2.358 -10.047 5.296 238 HG LEU 30 HG LEU 30 -1.652 -9.016 3.212 239 HD11 LEU 30 1HD1 LEU 30 0.226 -11.302 3.436 240 HD12 LEU 30 2HD1 LEU 30 -0.064 -10.321 4.873 241 HD13 LEU 30 3HD1 LEU 30 0.547 -9.568 3.399 242 HD21 LEU 30 3HD2 LEU 30 -2.704 -11.311 2.029 243 HD22 LEU 30 1HD2 LEU 30 -0.966 -11.403 1.743 244 HD23 LEU 30 2HD2 LEU 30 -1.872 -9.983 1.222 245 H LYS 31 H LYS 31 -2.038 -11.291 7.050 246 HA LYS 31 HA LYS 31 0.737 -11.932 7.210 247 HB2 LYS 31 2HB LYS 31 0.588 -11.207 9.520 248 HB3 LYS 31 1HB LYS 31 -0.280 -10.085 8.483 249 HG2 LYS 31 2HG LYS 31 -1.994 -12.191 9.500 250 HG3 LYS 31 1HG LYS 31 -1.229 -11.259 10.788 251 HD2 LYS 31 2HD LYS 31 -2.042 -9.347 8.944 252 HD3 LYS 31 1HD LYS 31 -3.363 -10.514 8.971 253 HE2 LYS 31 2HE LYS 31 -3.732 -8.767 10.619 254 HE3 LYS 31 1HE LYS 31 -3.480 -10.322 11.409 255 HZ1 LYS 31 3HZ LYS 31 -0.987 -9.361 11.332 256 HZ2 LYS 31 1HZ LYS 31 -2.039 -9.147 12.641 257 HZ3 LYS 31 2HZ LYS 31 -1.862 -7.922 11.490 258 H ALA 32 H ALA 32 -2.010 -13.849 7.445 259 HA ALA 32 HA ALA 32 -1.433 -15.591 9.543 260 HB1 ALA 32 1HB ALA 32 -2.978 -17.091 8.558 261 HB2 ALA 32 2HB ALA 32 -2.711 -16.423 6.948 262 HB3 ALA 32 3HB ALA 32 -3.551 -15.469 8.170 263 H GLY 33 H GLY 33 0.095 -15.218 6.483 264 HA2 GLY 33 2HA GLY 33 2.390 -16.474 6.827 265 HA3 GLY 33 1HA GLY 33 1.319 -17.840 6.571 266 H GLU 34 H GLU 34 -0.287 -15.959 4.740 267 HA GLU 34 HA GLU 34 1.072 -16.753 2.326 268 HB2 GLU 34 2HB GLU 34 -0.883 -15.805 1.174 269 HB3 GLU 34 1HB GLU 34 -1.350 -16.928 2.443 270 HG2 GLU 34 2HG GLU 34 -1.692 -14.926 3.928 271 HG3 GLU 34 1HG GLU 34 -1.485 -13.930 2.492 272 H LYS 35 H LYS 35 1.553 -15.286 0.575 273 HA LYS 35 HA LYS 35 2.680 -12.782 1.585 274 HB2 LYS 35 2HB LYS 35 3.919 -14.628 0.157 275 HB3 LYS 35 1HB LYS 35 3.181 -13.768 -1.188 276 HG2 LYS 35 2HG LYS 35 4.484 -11.932 -0.914 277 HG3 LYS 35 1HG LYS 35 4.613 -12.146 0.833 278 HD2 LYS 35 2HD LYS 35 5.893 -14.371 -0.239 279 HD3 LYS 35 1HD LYS 35 6.389 -13.033 -1.276 280 HE2 LYS 35 2HE LYS 35 6.440 -12.622 1.667 281 HE3 LYS 35 1HE LYS 35 7.690 -13.637 0.949 282 HZ1 LYS 35 3HZ LYS 35 8.248 -11.223 1.152 283 HZ2 LYS 35 1HZ LYS 35 7.072 -10.906 -0.022 284 HZ3 LYS 35 2HZ LYS 35 8.415 -11.860 -0.405 285 H PHE 36 H PHE 36 2.122 -10.804 0.842 286 HA PHE 36 HA PHE 36 -0.408 -10.274 -0.086 287 HB2 PHE 36 2HB PHE 36 0.717 -8.062 -0.950 288 HB3 PHE 36 1HB PHE 36 0.632 -8.399 0.775 289 HD1 PHE 36 1HD PHE 36 2.885 -8.805 -2.162 290 HD2 PHE 36 2HD PHE 36 2.553 -8.309 2.052 291 HE1 PHE 36 1HE PHE 36 5.329 -8.575 -2.001 292 HE2 PHE 36 2HE PHE 36 4.997 -8.076 2.220 293 HZ PHE 36 HZ PHE 36 6.387 -8.209 0.193 294 H GLY 37 H GLY 37 2.496 -10.919 -1.949 295 HA2 GLY 37 2HA GLY 37 1.517 -10.142 -4.474 296 HA3 GLY 37 1HA GLY 37 2.836 -11.266 -4.188 297 H LYS 38 H LYS 38 1.235 -13.135 -2.662 298 HA LYS 38 HA LYS 38 0.336 -14.777 -4.761 299 HB2 LYS 38 2HB LYS 38 1.127 -15.517 -2.480 300 HB3 LYS 38 1HB LYS 38 -0.442 -15.028 -1.856 301 HG2 LYS 38 2HG LYS 38 -1.059 -17.128 -2.267 302 HG3 LYS 38 1HG LYS 38 -1.136 -16.630 -3.958 303 HD2 LYS 38 2HD LYS 38 0.215 -18.479 -4.123 304 HD3 LYS 38 1HD LYS 38 1.425 -17.210 -3.915 305 HE2 LYS 38 2HE LYS 38 1.137 -17.741 -1.380 306 HE3 LYS 38 1HE LYS 38 0.472 -19.266 -1.965 307 HZ1 LYS 38 3HZ LYS 38 2.674 -19.175 -3.403 308 HZ2 LYS 38 1HZ LYS 38 2.643 -19.842 -1.849 309 HZ3 LYS 38 2HZ LYS 38 3.209 -18.265 -2.081 310 H LEU 39 H LEU 39 -1.532 -13.056 -2.259 311 HA LEU 39 HA LEU 39 -4.078 -13.738 -3.082 312 HB2 LEU 39 2HB LEU 39 -3.132 -11.141 -1.878 313 HB3 LEU 39 1HB LEU 39 -4.813 -11.595 -2.040 314 HG LEU 39 HG LEU 39 -4.242 -12.023 0.207 315 HD11 LEU 39 1HD1 LEU 39 -5.580 -13.777 -0.694 316 HD12 LEU 39 2HD1 LEU 39 -4.391 -14.494 0.390 317 HD13 LEU 39 3HD1 LEU 39 -4.165 -14.593 -1.354 318 HD21 LEU 39 3HD2 LEU 39 -1.963 -13.817 -0.499 319 HD22 LEU 39 1HD2 LEU 39 -2.298 -12.961 1.005 320 HD23 LEU 39 2HD2 LEU 39 -1.712 -12.073 -0.403 321 H ALA 40 H ALA 40 -1.908 -11.290 -4.357 322 HA ALA 40 HA ALA 40 -3.623 -9.741 -5.857 323 HB1 ALA 40 1HB ALA 40 -1.713 -9.313 -7.348 324 HB2 ALA 40 2HB ALA 40 -0.847 -10.651 -6.594 325 HB3 ALA 40 3HB ALA 40 -1.267 -9.227 -5.643 326 H LYS 41 H LYS 41 -1.944 -12.684 -6.911 327 HA LYS 41 HA LYS 41 -3.570 -12.844 -9.302 328 HB2 LYS 41 2HB LYS 41 -2.184 -14.742 -9.895 329 HB3 LYS 41 1HB LYS 41 -1.165 -13.407 -9.370 330 HG2 LYS 41 2HG LYS 41 -1.160 -14.536 -7.083 331 HG3 LYS 41 1HG LYS 41 -1.815 -15.948 -7.916 332 HD2 LYS 41 2HD LYS 41 0.669 -14.583 -8.896 333 HD3 LYS 41 1HD LYS 41 0.738 -15.780 -7.603 334 HE2 LYS 41 2HE LYS 41 -0.762 -17.120 -9.380 335 HE3 LYS 41 1HE LYS 41 0.181 -16.120 -10.485 336 HZ1 LYS 41 3HZ LYS 41 1.652 -17.785 -10.284 337 HZ2 LYS 41 1HZ LYS 41 1.025 -18.329 -8.810 338 HZ3 LYS 41 2HZ LYS 41 2.085 -17.012 -8.844 339 H GLU 42 H GLU 42 -3.527 -14.162 -6.103 340 HA GLU 42 HA GLU 42 -4.952 -16.548 -6.640 341 HB2 GLU 42 2HB GLU 42 -3.827 -15.218 -4.372 342 HB3 GLU 42 1HB GLU 42 -5.442 -15.761 -3.974 343 HG2 GLU 42 2HG GLU 42 -3.342 -17.533 -5.180 344 HG3 GLU 42 1HG GLU 42 -3.621 -17.378 -3.446 345 H LEU 43 H LEU 43 -6.217 -13.726 -4.782 346 HA LEU 43 HA LEU 43 -8.826 -14.337 -6.010 347 HB2 LEU 43 2HB LEU 43 -9.773 -13.247 -3.868 348 HB3 LEU 43 1HB LEU 43 -9.234 -14.911 -3.830 349 HG LEU 43 HG LEU 43 -8.607 -13.525 -1.838 350 HD11 LEU 43 1HD1 LEU 43 -6.977 -14.988 -1.510 351 HD12 LEU 43 2HD1 LEU 43 -5.989 -14.284 -2.791 352 HD13 LEU 43 3HD1 LEU 43 -7.207 -15.499 -3.182 353 HD21 LEU 43 3HD2 LEU 43 -7.987 -11.555 -3.461 354 HD22 LEU 43 1HD2 LEU 43 -6.404 -12.333 -3.443 355 HD23 LEU 43 2HD2 LEU 43 -7.132 -11.782 -1.937 356 H SER 44 H SER 44 -6.454 -11.931 -5.608 357 HA SER 44 HA SER 44 -8.082 -9.634 -5.606 358 HB2 SER 44 2HB SER 44 -5.377 -10.104 -5.516 359 HB3 SER 44 1HB SER 44 -5.573 -9.331 -7.081 360 HG SER 44 HG SER 44 -6.920 -8.182 -4.943 361 H ILE 45 H ILE 45 -9.007 -8.448 -7.153 362 HA ILE 45 HA ILE 45 -9.110 -9.603 -9.847 363 HB ILE 45 HB ILE 45 -11.107 -8.000 -10.081 364 HG12 ILE 45 2HG1 ILE 45 -11.449 -8.173 -7.146 365 HG13 ILE 45 1HG1 ILE 45 -10.259 -7.007 -7.711 366 HG21 ILE 45 1HG2 ILE 45 -10.940 -10.600 -9.420 367 HG22 ILE 45 2HG2 ILE 45 -12.466 -9.743 -9.634 368 HG23 ILE 45 3HG2 ILE 45 -11.807 -9.982 -8.016 369 HD11 ILE 45 3HD1 ILE 45 -11.874 -5.574 -8.136 370 HD12 ILE 45 1HD1 ILE 45 -13.069 -6.753 -7.593 371 HD13 ILE 45 2HD1 ILE 45 -12.586 -6.704 -9.290 372 H ASP 46 H ASP 46 -7.657 -7.124 -8.150 373 HA ASP 46 HA ASP 46 -7.790 -4.855 -9.651 374 HB2 ASP 46 2HB ASP 46 -6.512 -4.835 -7.646 375 HB3 ASP 46 1HB ASP 46 -5.435 -6.096 -8.231 376 H GLY 47 H GLY 47 -7.067 -4.134 -11.569 377 HA2 GLY 47 2HA GLY 47 -6.443 -5.956 -13.609 378 HA3 GLY 47 1HA GLY 47 -6.286 -4.209 -13.723 379 H GLY 48 H GLY 48 -4.485 -5.289 -15.124 380 HA2 GLY 48 2HA GLY 48 -2.283 -6.474 -14.850 381 HA3 GLY 48 1HA GLY 48 -2.136 -4.775 -15.243 382 H SER 49 H SER 49 -2.654 -3.609 -12.741 383 HA SER 49 HA SER 49 -0.172 -3.660 -11.535 384 HB2 SER 49 2HB SER 49 -2.882 -2.912 -10.440 385 HB3 SER 49 1HB SER 49 -1.403 -2.717 -9.498 386 HG SER 49 HG SER 49 -0.639 -1.499 -11.425 387 H ALA 50 H ALA 50 -2.854 -5.837 -11.072 388 HA ALA 50 HA ALA 50 -1.949 -6.987 -8.617 389 HB1 ALA 50 1HB ALA 50 -3.762 -8.342 -10.594 390 HB2 ALA 50 2HB ALA 50 -4.321 -7.036 -9.550 391 HB3 ALA 50 3HB ALA 50 -3.708 -8.529 -8.840 392 H LYS 51 H LYS 51 -1.218 -7.400 -11.943 393 HA LYS 51 HA LYS 51 -0.170 -10.033 -11.838 394 HB2 LYS 51 2HB LYS 51 -0.102 -7.752 -13.751 395 HB3 LYS 51 1HB LYS 51 1.049 -9.047 -13.960 396 HG2 LYS 51 2HG LYS 51 -1.911 -9.487 -13.758 397 HG3 LYS 51 1HG LYS 51 -1.059 -9.255 -15.284 398 HD2 LYS 51 2HD LYS 51 -0.325 -11.367 -15.296 399 HD3 LYS 51 1HD LYS 51 0.213 -11.263 -13.619 400 HE2 LYS 51 2HE LYS 51 -1.426 -12.740 -13.219 401 HE3 LYS 51 1HE LYS 51 -2.489 -11.336 -13.316 402 HZ1 LYS 51 3HZ LYS 51 -1.922 -13.348 -15.410 403 HZ2 LYS 51 1HZ LYS 51 -2.623 -11.851 -15.775 404 HZ3 LYS 51 2HZ LYS 51 -3.417 -12.925 -14.739 405 H ARG 52 H ARG 52 0.912 -7.096 -10.647 406 HA ARG 52 HA ARG 52 3.729 -7.876 -10.698 407 HB2 ARG 52 2HB ARG 52 2.251 -5.336 -10.620 408 HB3 ARG 52 1HB ARG 52 3.646 -5.395 -9.561 409 HG2 ARG 52 2HG ARG 52 4.391 -6.468 -12.083 410 HG3 ARG 52 1HG ARG 52 3.562 -4.934 -12.345 411 HD2 ARG 52 2HD ARG 52 5.079 -3.793 -10.879 412 HD3 ARG 52 1HD ARG 52 5.824 -5.315 -10.390 413 HE ARG 52 HE ARG 52 7.130 -5.213 -12.255 414 HH11 ARG 52 1HH1 ARG 52 4.371 -3.130 -12.732 415 HH12 ARG 52 2HH1 ARG 52 4.952 -2.496 -14.236 416 HH21 ARG 52 1HH2 ARG 52 7.896 -4.380 -14.232 417 HH22 ARG 52 2HH2 ARG 52 6.952 -3.207 -15.088 418 H ASP 53 H ASP 53 1.556 -9.002 -8.958 419 HA ASP 53 HA ASP 53 1.432 -9.855 -6.865 420 HB2 ASP 53 2HB ASP 53 3.363 -10.181 -5.730 421 HB3 ASP 53 1HB ASP 53 4.094 -9.507 -7.178 422 H GLY 54 H GLY 54 0.783 -6.876 -7.694 423 HA2 GLY 54 2HA GLY 54 -0.410 -5.183 -6.710 424 HA3 GLY 54 1HA GLY 54 -0.688 -6.278 -5.363 425 H SER 55 H SER 55 2.566 -5.586 -6.256 426 HA SER 55 HA SER 55 3.104 -4.441 -3.692 427 HB2 SER 55 2HB SER 55 4.685 -5.330 -6.027 428 HB3 SER 55 1HB SER 55 5.399 -4.023 -5.084 429 HG SER 55 HG SER 55 4.391 -6.359 -3.856 430 H LEU 56 H LEU 56 1.912 -2.556 -3.604 431 HA LEU 56 HA LEU 56 1.946 -0.524 -5.546 432 HB2 LEU 56 2HB LEU 56 1.255 -0.621 -2.633 433 HB3 LEU 56 1HB LEU 56 1.268 0.907 -3.474 434 HG LEU 56 HG LEU 56 -0.533 -1.459 -3.906 435 HD11 LEU 56 1HD1 LEU 56 -2.263 0.330 -3.704 436 HD12 LEU 56 2HD1 LEU 56 -0.968 1.448 -3.275 437 HD13 LEU 56 3HD1 LEU 56 -1.305 0.055 -2.249 438 HD21 LEU 56 3HD2 LEU 56 -0.173 -1.018 -6.123 439 HD22 LEU 56 1HD2 LEU 56 0.213 0.682 -5.837 440 HD23 LEU 56 2HD2 LEU 56 -1.463 0.135 -5.778 441 H GLY 57 H GLY 57 4.325 -1.546 -3.346 442 HA2 GLY 57 2HA GLY 57 6.320 -0.653 -2.644 443 HA3 GLY 57 1HA GLY 57 6.348 0.078 -4.240 444 H TYR 58 H TYR 58 7.599 1.653 -2.876 445 HA TYR 58 HA TYR 58 6.415 3.276 -0.968 446 HB2 TYR 58 2HB TYR 58 8.063 5.017 -1.779 447 HB3 TYR 58 1HB TYR 58 8.739 3.505 -1.216 448 HD1 TYR 58 1HD TYR 58 9.672 1.897 -2.884 449 HD2 TYR 58 2HD TYR 58 8.280 5.759 -4.007 450 HE1 TYR 58 1HE TYR 58 10.878 1.703 -5.018 451 HE2 TYR 58 2HE TYR 58 9.484 5.574 -6.149 452 HH TYR 58 HH TYR 58 11.872 3.602 -6.750 453 H PHE 59 H PHE 59 4.829 4.649 -1.027 454 HA PHE 59 HA PHE 59 4.399 6.323 -3.353 455 HB2 PHE 59 2HB PHE 59 1.948 5.890 -3.329 456 HB3 PHE 59 1HB PHE 59 2.913 4.533 -3.876 457 HD1 PHE 59 1HD PHE 59 1.389 5.894 -0.769 458 HD2 PHE 59 2HD PHE 59 2.444 2.438 -3.017 459 HE1 PHE 59 1HE PHE 59 0.288 4.474 0.907 460 HE2 PHE 59 2HE PHE 59 1.340 1.010 -1.343 461 HZ PHE 59 HZ PHE 59 0.258 2.030 0.622 462 H GLY 60 H GLY 60 3.575 8.262 -2.858 463 HA2 GLY 60 2HA GLY 60 3.315 8.799 0.024 464 HA3 GLY 60 1HA GLY 60 3.822 9.968 -1.178 465 H ARG 61 H ARG 61 2.090 11.129 0.180 466 HA ARG 61 HA ARG 61 -0.633 10.479 -0.259 467 HB2 ARG 61 2HB ARG 61 -1.041 12.774 0.682 468 HB3 ARG 61 1HB ARG 61 -0.097 11.710 1.716 469 HG2 ARG 61 2HG ARG 61 1.456 13.424 -0.104 470 HG3 ARG 61 1HG ARG 61 0.565 14.257 1.171 471 HD2 ARG 61 2HD ARG 61 1.894 11.928 2.220 472 HD3 ARG 61 1HD ARG 61 3.041 12.962 1.374 473 HE ARG 61 HE ARG 61 2.681 14.634 2.946 474 HH11 ARG 61 1HH1 ARG 61 0.568 11.914 3.539 475 HH12 ARG 61 2HH1 ARG 61 0.137 12.442 5.130 476 HH21 ARG 61 1HH2 ARG 61 2.110 15.323 5.038 477 HH22 ARG 61 2HH2 ARG 61 1.011 14.373 5.981 478 H GLY 62 H GLY 62 -0.865 10.289 -2.478 479 HA2 GLY 62 2HA GLY 62 -1.977 12.149 -3.944 480 HA3 GLY 62 1HA GLY 62 -0.308 12.646 -4.104 481 H LYS 63 H LYS 63 -1.489 9.320 -3.955 482 HA LYS 63 HA LYS 63 -0.866 8.998 -6.802 483 HB2 LYS 63 2HB LYS 63 0.339 7.503 -4.499 484 HB3 LYS 63 1HB LYS 63 0.171 6.724 -6.067 485 HG2 LYS 63 2HG LYS 63 1.372 9.379 -6.209 486 HG3 LYS 63 1HG LYS 63 2.303 8.227 -5.251 487 HD2 LYS 63 2HD LYS 63 3.160 7.778 -7.320 488 HD3 LYS 63 1HD LYS 63 1.800 6.653 -7.317 489 HE2 LYS 63 2HE LYS 63 1.024 7.634 -9.151 490 HE3 LYS 63 1HE LYS 63 0.801 9.123 -8.233 491 HZ1 LYS 63 3HZ LYS 63 3.257 8.320 -9.699 492 HZ2 LYS 63 1HZ LYS 63 3.098 9.724 -8.767 493 HZ3 LYS 63 2HZ LYS 63 2.165 9.524 -10.163 494 H MET 64 H MET 64 -2.332 7.576 -3.900 495 HA MET 64 HA MET 64 -4.053 5.945 -5.633 496 HB2 MET 64 2HB MET 64 -3.714 5.677 -2.649 497 HB3 MET 64 1HB MET 64 -4.465 4.530 -3.747 498 HG2 MET 64 2HG MET 64 -2.409 3.576 -3.355 499 HG3 MET 64 1HG MET 64 -2.147 4.434 -4.870 500 HE1 MET 64 3HE MET 64 -2.417 6.176 -1.323 501 HE2 MET 64 1HE MET 64 -0.753 6.020 -0.766 502 HE3 MET 64 2HE MET 64 -1.744 4.580 -0.990 503 H VAL 65 H VAL 65 -6.288 5.533 -4.565 504 HA VAL 65 HA VAL 65 -7.771 7.887 -4.692 505 HB VAL 65 HB VAL 65 -9.656 6.575 -3.795 506 HG11 VAL 65 1HG1 VAL 65 -9.832 5.052 -5.598 507 HG12 VAL 65 2HG1 VAL 65 -8.080 4.883 -5.719 508 HG13 VAL 65 3HG1 VAL 65 -8.853 6.398 -6.183 509 HG21 VAL 65 3HG2 VAL 65 -7.812 5.237 -2.346 510 HG22 VAL 65 1HG2 VAL 65 -8.101 4.082 -3.644 511 HG23 VAL 65 2HG2 VAL 65 -9.443 4.647 -2.648 512 H LYS 66 H LYS 66 -9.141 8.837 -2.990 513 HA LYS 66 HA LYS 66 -7.620 9.790 -0.852 514 HB2 LYS 66 2HB LYS 66 -9.860 10.629 -2.024 515 HB3 LYS 66 1HB LYS 66 -10.581 9.851 -0.622 516 HG2 LYS 66 2HG LYS 66 -8.634 11.292 0.567 517 HG3 LYS 66 1HG LYS 66 -9.007 12.323 -0.814 518 HD2 LYS 66 2HD LYS 66 -10.780 13.088 0.290 519 HD3 LYS 66 1HD LYS 66 -11.480 11.470 0.226 520 HE2 LYS 66 2HE LYS 66 -9.883 11.071 2.284 521 HE3 LYS 66 1HE LYS 66 -10.006 12.823 2.432 522 HZ1 LYS 66 3HZ LYS 66 -12.495 11.346 2.071 523 HZ2 LYS 66 1HZ LYS 66 -12.174 12.712 3.017 524 HZ3 LYS 66 2HZ LYS 66 -11.722 11.178 3.566 525 HA PRO 67 HA PRO 67 -10.231 6.895 2.045 526 HB2 PRO 67 2HB PRO 67 -11.038 4.561 0.814 527 HB3 PRO 67 1HB PRO 67 -12.084 5.928 1.148 528 HG2 PRO 67 2HG PRO 67 -10.821 5.078 -1.386 529 HG3 PRO 67 1HG PRO 67 -12.345 5.937 -1.122 530 HD2 PRO 67 2HD PRO 67 -10.046 7.118 -2.020 531 HD3 PRO 67 1HD PRO 67 -11.329 7.977 -1.166 532 H PHE 68 H PHE 68 -8.560 5.303 -0.628 533 HA PHE 68 HA PHE 68 -7.290 3.346 1.028 534 HB2 PHE 68 2HB PHE 68 -7.747 3.165 -1.481 535 HB3 PHE 68 1HB PHE 68 -6.346 4.207 -1.704 536 HD1 PHE 68 1HD PHE 68 -4.123 3.426 -0.739 537 HD2 PHE 68 2HD PHE 68 -7.487 0.867 -1.236 538 HE1 PHE 68 1HE PHE 68 -2.640 1.466 -0.646 539 HE2 PHE 68 2HE PHE 68 -6.008 -1.099 -1.143 540 HZ PHE 68 HZ PHE 68 -3.582 -0.800 -0.850 541 H GLU 69 H GLU 69 -6.127 6.275 -0.626 542 HA GLU 69 HA GLU 69 -3.500 6.222 0.288 543 HB2 GLU 69 2HB GLU 69 -4.579 7.760 -1.457 544 HB3 GLU 69 1HB GLU 69 -5.073 8.763 -0.099 545 HG2 GLU 69 2HG GLU 69 -2.394 8.369 0.361 546 HG3 GLU 69 1HG GLU 69 -2.486 8.498 -1.396 547 H ASP 70 H ASP 70 -6.440 7.274 1.852 548 HA ASP 70 HA ASP 70 -5.256 8.686 3.997 549 HB2 ASP 70 2HB ASP 70 -7.645 8.886 3.381 550 HB3 ASP 70 1HB ASP 70 -7.910 7.233 3.931 551 H ALA 71 H ALA 71 -6.499 5.358 3.769 552 HA ALA 71 HA ALA 71 -5.554 4.641 6.375 553 HB1 ALA 71 1HB ALA 71 -6.919 3.253 4.141 554 HB2 ALA 71 2HB ALA 71 -7.326 3.318 5.856 555 HB3 ALA 71 3HB ALA 71 -6.032 2.259 5.297 556 H ALA 72 H ALA 72 -4.027 4.980 3.377 557 HA ALA 72 HA ALA 72 -2.183 2.864 3.405 558 HB1 ALA 72 1HB ALA 72 -1.057 5.290 2.309 559 HB2 ALA 72 2HB ALA 72 -2.717 5.045 1.767 560 HB3 ALA 72 3HB ALA 72 -1.507 3.789 1.498 561 H PHE 73 H PHE 73 -1.895 6.182 4.655 562 HA PHE 73 HA PHE 73 0.618 5.479 5.963 563 HB2 PHE 73 2HB PHE 73 0.556 7.962 6.608 564 HB3 PHE 73 1HB PHE 73 0.772 7.574 4.904 565 HD1 PHE 73 1HD PHE 73 -1.992 8.226 7.324 566 HD2 PHE 73 2HD PHE 73 -0.476 8.746 3.382 567 HE1 PHE 73 1HE PHE 73 -3.940 9.621 6.763 568 HE2 PHE 73 2HE PHE 73 -2.420 10.142 2.814 569 HZ PHE 73 HZ PHE 73 -4.156 10.579 4.505 570 H ARG 74 H ARG 74 -2.251 4.659 6.789 571 HA ARG 74 HA ARG 74 -2.288 5.780 9.493 572 HB2 ARG 74 2HB ARG 74 -4.359 5.561 7.920 573 HB3 ARG 74 1HB ARG 74 -4.346 3.877 8.422 574 HG2 ARG 74 2HG ARG 74 -4.714 4.456 10.689 575 HG3 ARG 74 1HG ARG 74 -4.411 6.165 10.370 576 HD2 ARG 74 2HD ARG 74 -6.490 6.518 9.571 577 HD3 ARG 74 1HD ARG 74 -6.558 4.949 8.770 578 HE ARG 74 HE ARG 74 -6.721 4.795 11.636 579 HH11 ARG 74 1HH1 ARG 74 -8.534 5.216 8.684 580 HH12 ARG 74 2HH1 ARG 74 -10.023 4.663 9.371 581 HH21 ARG 74 1HH2 ARG 74 -8.679 4.066 12.543 582 HH22 ARG 74 2HH2 ARG 74 -10.106 4.009 11.563 583 H LEU 75 H LEU 75 -1.619 2.875 7.732 584 HA LEU 75 HA LEU 75 -1.402 1.346 10.226 585 HB2 LEU 75 2HB LEU 75 -1.595 0.537 7.341 586 HB3 LEU 75 1HB LEU 75 -1.088 -0.595 8.574 587 HG LEU 75 HG LEU 75 -3.779 0.465 7.970 588 HD11 LEU 75 1HD1 LEU 75 -4.295 -1.829 8.960 589 HD12 LEU 75 2HD1 LEU 75 -2.549 -2.083 8.948 590 HD13 LEU 75 3HD1 LEU 75 -3.407 -1.772 7.437 591 HD21 LEU 75 3HD2 LEU 75 -4.603 0.143 10.231 592 HD22 LEU 75 1HD2 LEU 75 -3.388 1.422 10.206 593 HD23 LEU 75 2HD2 LEU 75 -2.967 -0.183 10.803 594 H GLN 76 H GLN 76 0.543 3.109 10.155 595 HA GLN 76 HA GLN 76 2.874 2.473 8.735 596 HB2 GLN 76 2HB GLN 76 2.349 3.929 11.307 597 HB3 GLN 76 1HB GLN 76 3.998 3.620 10.783 598 HG2 GLN 76 2HG GLN 76 3.174 4.677 8.546 599 HG3 GLN 76 1HG GLN 76 1.920 5.374 9.568 600 HE21 GLN 76 1HE2 GLN 76 4.457 6.348 8.104 601 HE22 GLN 76 2HE2 GLN 76 5.223 7.355 9.281 602 H VAL 77 H VAL 77 1.338 0.974 11.402 603 HA VAL 77 HA VAL 77 3.505 -0.321 12.638 604 HB VAL 77 HB VAL 77 1.422 -0.314 13.788 605 HG11 VAL 77 1HG1 VAL 77 -0.265 -2.042 12.333 606 HG12 VAL 77 2HG1 VAL 77 0.337 -0.835 11.197 607 HG13 VAL 77 3HG1 VAL 77 -0.491 -0.326 12.669 608 HG21 VAL 77 3HG2 VAL 77 1.556 -2.391 14.635 609 HG22 VAL 77 1HG2 VAL 77 2.871 -2.604 13.479 610 HG23 VAL 77 2HG2 VAL 77 1.243 -3.154 13.076 611 H GLY 78 H GLY 78 1.782 -0.933 9.682 612 HA2 GLY 78 2HA GLY 78 2.652 -2.260 7.926 613 HA3 GLY 78 1HA GLY 78 3.618 -3.121 9.103 614 H GLU 79 H GLU 79 0.180 -2.449 8.723 615 HA GLU 79 HA GLU 79 -0.308 -5.344 8.771 616 HB2 GLU 79 2HB GLU 79 -0.574 -4.042 11.008 617 HB3 GLU 79 1HB GLU 79 -2.062 -3.473 10.296 618 HG2 GLU 79 2HG GLU 79 -1.833 -6.319 10.014 619 HG3 GLU 79 1HG GLU 79 -1.626 -5.842 11.698 620 H VAL 80 H VAL 80 -2.800 -5.681 8.386 621 HA VAL 80 HA VAL 80 -3.361 -4.279 5.927 622 HB VAL 80 HB VAL 80 -4.896 -6.530 7.228 623 HG11 VAL 80 1HG1 VAL 80 -5.326 -4.930 4.790 624 HG12 VAL 80 2HG1 VAL 80 -6.484 -5.796 5.799 625 HG13 VAL 80 3HG1 VAL 80 -5.516 -6.674 4.612 626 HG21 VAL 80 3HG2 VAL 80 -2.867 -6.570 4.993 627 HG22 VAL 80 1HG2 VAL 80 -3.832 -7.948 5.523 628 HG23 VAL 80 2HG2 VAL 80 -2.652 -7.226 6.616 629 H SER 81 H SER 81 -5.253 -3.079 5.502 630 HA SER 81 HA SER 81 -6.495 -1.999 7.936 631 HB2 SER 81 2HB SER 81 -7.201 -0.348 5.791 632 HB3 SER 81 1HB SER 81 -5.966 -0.029 7.008 633 HG SER 81 HG SER 81 -5.032 0.106 4.979 634 H GLU 82 H GLU 82 -8.744 -1.353 7.823 635 HA GLU 82 HA GLU 82 -10.466 -3.415 7.268 636 HB2 GLU 82 2HB GLU 82 -11.150 -0.473 7.325 637 HB3 GLU 82 1HB GLU 82 -12.281 -1.798 7.552 638 HG2 GLU 82 2HG GLU 82 -11.914 -1.474 9.726 639 HG3 GLU 82 1HG GLU 82 -10.411 -2.353 9.447 640 HA PRO 83 HA PRO 83 -11.425 -3.594 2.996 641 HB2 PRO 83 2HB PRO 83 -14.196 -3.662 3.083 642 HB3 PRO 83 1HB PRO 83 -13.138 -5.063 3.283 643 HG2 PRO 83 2HG PRO 83 -14.485 -3.390 5.358 644 HG3 PRO 83 1HG PRO 83 -14.235 -5.144 5.317 645 HD2 PRO 83 2HD PRO 83 -12.717 -3.554 6.850 646 HD3 PRO 83 1HD PRO 83 -12.031 -4.971 6.026 647 H VAL 84 H VAL 84 -10.890 -1.706 2.054 648 HA VAL 84 HA VAL 84 -12.688 0.599 2.344 649 HB VAL 84 HB VAL 84 -9.942 0.434 1.082 650 HG11 VAL 84 1HG1 VAL 84 -11.394 2.185 0.117 651 HG12 VAL 84 2HG1 VAL 84 -9.998 2.839 0.973 652 HG13 VAL 84 3HG1 VAL 84 -11.592 2.878 1.729 653 HG21 VAL 84 3HG2 VAL 84 -9.377 1.909 3.103 654 HG22 VAL 84 1HG2 VAL 84 -9.572 0.178 3.367 655 HG23 VAL 84 2HG2 VAL 84 -10.873 1.286 3.801 656 H LYS 85 H LYS 85 -14.316 0.495 0.918 657 HA LYS 85 HA LYS 85 -13.866 -0.600 -1.738 658 HB2 LYS 85 2HB LYS 85 -15.922 -1.015 -0.184 659 HB3 LYS 85 1HB LYS 85 -16.480 0.530 -0.813 660 HG2 LYS 85 2HG LYS 85 -15.799 -1.898 -2.459 661 HG3 LYS 85 1HG LYS 85 -17.422 -1.333 -2.061 662 HD2 LYS 85 2HD LYS 85 -16.480 0.910 -3.135 663 HD3 LYS 85 1HD LYS 85 -15.442 -0.240 -3.982 664 HE2 LYS 85 2HE LYS 85 -17.218 -0.156 -5.423 665 HE3 LYS 85 1HE LYS 85 -17.715 -1.493 -4.388 666 HZ1 LYS 85 3HZ LYS 85 -18.528 1.219 -3.638 667 HZ2 LYS 85 1HZ LYS 85 -19.331 -0.252 -3.400 668 HZ3 LYS 85 2HZ LYS 85 -19.332 0.476 -4.927 669 H SER 86 H SER 86 -13.122 0.680 -3.261 670 HA SER 86 HA SER 86 -13.894 3.517 -3.253 671 HB2 SER 86 2HB SER 86 -11.457 2.048 -4.056 672 HB3 SER 86 1HB SER 86 -11.939 3.352 -5.140 673 HG SER 86 HG SER 86 -11.040 3.454 -2.511 674 H GLU 87 H GLU 87 -13.529 4.216 -5.843 675 HA GLU 87 HA GLU 87 -15.901 3.366 -7.080 676 HB2 GLU 87 2HB GLU 87 -14.953 4.528 -9.113 677 HB3 GLU 87 1HB GLU 87 -15.050 5.507 -7.655 678 HG2 GLU 87 2HG GLU 87 -12.523 4.343 -7.568 679 HG3 GLU 87 1HG GLU 87 -12.759 4.804 -9.253 680 H PHE 88 H PHE 88 -12.853 1.861 -6.921 681 HA PHE 88 HA PHE 88 -13.268 0.340 -9.377 682 HB2 PHE 88 2HB PHE 88 -10.962 0.918 -7.611 683 HB3 PHE 88 1HB PHE 88 -10.978 -0.671 -8.367 684 HD1 PHE 88 1HD PHE 88 -11.044 2.958 -9.047 685 HD2 PHE 88 2HD PHE 88 -10.454 -0.941 -10.646 686 HE1 PHE 88 1HE PHE 88 -10.164 3.946 -11.120 687 HE2 PHE 88 2HE PHE 88 -9.572 0.040 -12.723 688 HZ PHE 88 HZ PHE 88 -9.425 2.488 -12.963 689 H GLY 89 H GLY 89 -13.163 -0.104 -5.871 690 HA2 GLY 89 2HA GLY 89 -14.927 -2.141 -5.600 691 HA3 GLY 89 1HA GLY 89 -13.463 -2.977 -6.084 692 H TYR 90 H TYR 90 -13.862 -4.008 -3.972 693 HA TYR 90 HA TYR 90 -13.362 -2.452 -1.616 694 HB2 TYR 90 2HB TYR 90 -13.663 -5.413 -2.097 695 HB3 TYR 90 1HB TYR 90 -13.514 -4.680 -0.525 696 HD1 TYR 90 1HD TYR 90 -15.281 -2.978 0.189 697 HD2 TYR 90 2HD TYR 90 -15.762 -5.593 -3.131 698 HE1 TYR 90 1HE TYR 90 -17.711 -2.609 0.259 699 HE2 TYR 90 2HE TYR 90 -18.193 -5.233 -3.071 700 HH TYR 90 HH TYR 90 -19.756 -3.667 -0.453 701 H HIS 91 H HIS 91 -11.366 -1.612 -1.652 702 HA HIS 91 HA HIS 91 -9.063 -3.131 -2.461 703 HB2 HIS 91 2HB HIS 91 -9.366 -0.352 -1.325 704 HB3 HIS 91 1HB HIS 91 -7.837 -1.039 -1.856 705 HD1 HIS 91 1HD HIS 91 -11.280 -0.381 -3.335 706 HD2 HIS 91 2HD HIS 91 -7.278 -0.496 -4.446 707 HE1 HIS 91 1HE HIS 91 -11.231 0.343 -5.742 708 HE2 HIS 91 2HE HIS 91 -8.810 0.174 -6.419 709 H VAL 92 H VAL 92 -7.068 -2.995 -1.110 710 HA VAL 92 HA VAL 92 -7.438 -3.167 1.766 711 HB VAL 92 HB VAL 92 -6.195 -5.484 0.277 712 HG11 VAL 92 1HG1 VAL 92 -6.853 -4.954 3.161 713 HG12 VAL 92 2HG1 VAL 92 -5.290 -5.347 2.444 714 HG13 VAL 92 3HG1 VAL 92 -6.550 -6.578 2.542 715 HG21 VAL 92 3HG2 VAL 92 -8.200 -6.770 0.830 716 HG22 VAL 92 1HG2 VAL 92 -8.585 -5.405 -0.218 717 HG23 VAL 92 2HG2 VAL 92 -8.947 -5.322 1.506 718 H ILE 93 H ILE 93 -5.484 -2.791 2.897 719 HA ILE 93 HA ILE 93 -3.175 -2.156 1.169 720 HB ILE 93 HB ILE 93 -3.384 -0.680 3.715 721 HG12 ILE 93 2HG1 ILE 93 -5.258 -0.151 1.403 722 HG13 ILE 93 1HG1 ILE 93 -5.707 -0.540 3.056 723 HG21 ILE 93 1HG2 ILE 93 -1.551 -0.149 2.365 724 HG22 ILE 93 2HG2 ILE 93 -2.685 1.175 2.101 725 HG23 ILE 93 3HG2 ILE 93 -2.528 -0.106 0.899 726 HD11 ILE 93 3HD1 ILE 93 -4.920 2.018 1.864 727 HD12 ILE 93 1HD1 ILE 93 -4.224 1.682 3.450 728 HD13 ILE 93 2HD1 ILE 93 -5.973 1.673 3.236 729 H LYS 94 H LYS 94 -1.408 -3.273 1.597 730 HA LYS 94 HA LYS 94 -0.911 -4.154 4.358 731 HB2 LYS 94 2HB LYS 94 -1.660 -6.102 3.134 732 HB3 LYS 94 1HB LYS 94 -0.523 -5.773 1.836 733 HG2 LYS 94 2HG LYS 94 0.185 -7.607 3.332 734 HG3 LYS 94 1HG LYS 94 1.342 -6.275 3.259 735 HD2 LYS 94 2HD LYS 94 0.739 -5.492 5.392 736 HD3 LYS 94 1HD LYS 94 -0.750 -6.438 5.410 737 HE2 LYS 94 2HE LYS 94 1.516 -8.169 5.072 738 HE3 LYS 94 1HE LYS 94 1.749 -7.139 6.483 739 HZ1 LYS 94 3HZ LYS 94 0.481 -9.380 6.693 740 HZ2 LYS 94 1HZ LYS 94 -0.833 -8.488 6.109 741 HZ3 LYS 94 2HZ LYS 94 -0.063 -8.021 7.541 742 H ARG 95 H ARG 95 0.770 -2.974 5.003 743 HA ARG 95 HA ARG 95 2.612 -1.677 3.396 744 HB2 ARG 95 2HB ARG 95 2.053 -1.424 5.931 745 HB3 ARG 95 1HB ARG 95 3.366 -2.574 6.145 746 HG2 ARG 95 2HG ARG 95 4.811 -1.006 4.810 747 HG3 ARG 95 1HG ARG 95 3.501 0.170 4.929 748 HD2 ARG 95 2HD ARG 95 4.363 0.806 6.877 749 HD3 ARG 95 1HD ARG 95 3.871 -0.755 7.532 750 HE ARG 95 HE ARG 95 6.063 -1.431 7.498 751 HH11 ARG 95 1HH1 ARG 95 5.739 1.497 5.626 752 HH12 ARG 95 2HH1 ARG 95 7.447 1.724 5.454 753 HH21 ARG 95 1HH2 ARG 95 8.309 -1.134 7.272 754 HH22 ARG 95 2HH2 ARG 95 8.907 0.232 6.388 755 H LEU 96 H LEU 96 4.437 -2.155 2.456 756 HA LEU 96 HA LEU 96 6.137 -4.295 3.189 757 HB2 LEU 96 2HB LEU 96 5.667 -5.822 1.609 758 HB3 LEU 96 1HB LEU 96 4.077 -5.110 1.670 759 HG LEU 96 HG LEU 96 4.951 -3.592 -0.256 760 HD11 LEU 96 1HD1 LEU 96 6.537 -5.172 -1.661 761 HD12 LEU 96 2HD1 LEU 96 7.047 -5.687 -0.053 762 HD13 LEU 96 3HD1 LEU 96 7.184 -3.991 -0.520 763 HD21 LEU 96 3HD2 LEU 96 3.476 -4.805 -1.366 764 HD22 LEU 96 1HD2 LEU 96 3.614 -6.090 -0.165 765 HD23 LEU 96 2HD2 LEU 96 4.669 -6.084 -1.579 766 H GLY 97 H GLY 97 8.061 -3.362 2.943 767 HA2 GLY 97 2HA GLY 97 8.786 -2.139 0.427 768 HA3 GLY 97 1HA GLY 97 8.736 -1.031 1.783 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 23.979 5.121 -9.191 2 H2 GLY 1 2HT GLY 1 25.341 4.118 -9.222 3 H3 GLY 1 3HT GLY 1 25.508 5.780 -9.491 4 HA2 GLY 1 1HA GLY 1 24.886 4.381 -6.963 5 HA3 GLY 1 2HA GLY 1 26.228 5.465 -7.300 6 HA PRO 2 HA PRO 2 22.139 8.053 -6.675 7 HB2 PRO 2 2HB PRO 2 20.433 6.928 -4.883 8 HB3 PRO 2 1HB PRO 2 20.298 6.679 -6.626 9 HG2 PRO 2 2HG PRO 2 21.516 4.903 -4.550 10 HG3 PRO 2 1HG PRO 2 20.465 4.473 -5.912 11 HD2 PRO 2 2HD PRO 2 23.147 4.139 -5.990 12 HD3 PRO 2 1HD PRO 2 22.197 4.545 -7.434 13 H MET 3 H MET 3 21.773 9.514 -4.947 14 HA MET 3 HA MET 3 23.024 8.919 -2.379 15 HB2 MET 3 2HB MET 3 23.761 11.385 -3.962 16 HB3 MET 3 1HB MET 3 24.397 10.908 -2.394 17 HG2 MET 3 2HG MET 3 25.092 8.746 -3.762 18 HG3 MET 3 1HG MET 3 25.046 9.894 -5.097 19 HE1 MET 3 3HE MET 3 28.698 9.993 -4.920 20 HE2 MET 3 1HE MET 3 27.285 9.106 -5.493 21 HE3 MET 3 2HE MET 3 28.173 8.534 -4.080 22 H GLY 4 H GLY 4 21.607 9.457 -0.863 23 HA2 GLY 4 2HA GLY 4 20.364 11.074 0.357 24 HA3 GLY 4 1HA GLY 4 20.120 11.970 -1.133 25 H SER 5 H SER 5 19.436 8.668 0.036 26 HA SER 5 HA SER 5 16.908 8.689 -1.393 27 HB2 SER 5 2HB SER 5 18.137 6.510 0.313 28 HB3 SER 5 1HB SER 5 16.751 6.336 -0.763 29 HG SER 5 HG SER 5 19.400 7.008 -1.535 30 H MET 6 H MET 6 14.925 8.846 -0.495 31 HA MET 6 HA MET 6 14.799 9.181 2.430 32 HB2 MET 6 2HB MET 6 13.236 10.541 0.236 33 HB3 MET 6 1HB MET 6 12.756 10.602 1.927 34 HG2 MET 6 2HG MET 6 14.994 11.582 2.442 35 HG3 MET 6 1HG MET 6 15.280 11.682 0.706 36 HE1 MET 6 3HE MET 6 15.518 14.633 0.849 37 HE2 MET 6 1HE MET 6 15.690 13.944 2.463 38 HE3 MET 6 2HE MET 6 14.605 15.309 2.197 39 H ALA 7 H ALA 7 12.246 9.024 3.027 40 HA ALA 7 HA ALA 7 11.148 6.630 1.739 41 HB1 ALA 7 1HB ALA 7 11.346 6.895 4.732 42 HB2 ALA 7 2HB ALA 7 12.485 5.975 3.748 43 HB3 ALA 7 3HB ALA 7 10.787 5.501 3.807 44 H ASP 8 H ASP 8 10.423 9.499 1.732 45 HA ASP 8 HA ASP 8 8.229 10.061 3.358 46 HB2 ASP 8 2HB ASP 8 8.968 10.988 0.585 47 HB3 ASP 8 1HB ASP 8 7.537 11.585 1.418 48 H LYS 9 H LYS 9 8.529 7.945 0.657 49 HA LYS 9 HA LYS 9 5.721 7.764 0.079 50 HB2 LYS 9 2HB LYS 9 8.212 6.425 -0.888 51 HB3 LYS 9 1HB LYS 9 6.642 5.755 -1.288 52 HG2 LYS 9 2HG LYS 9 7.598 7.198 -3.038 53 HG3 LYS 9 1HG LYS 9 6.024 7.745 -2.464 54 HD2 LYS 9 2HD LYS 9 8.437 8.847 -1.137 55 HD3 LYS 9 1HD LYS 9 8.090 9.393 -2.780 56 HE2 LYS 9 2HE LYS 9 5.639 9.516 -1.569 57 HE3 LYS 9 1HE LYS 9 6.731 9.989 -0.275 58 HZ1 LYS 9 3HZ LYS 9 6.540 12.002 -1.213 59 HZ2 LYS 9 1HZ LYS 9 6.040 11.390 -2.709 60 HZ3 LYS 9 2HZ LYS 9 7.685 11.424 -2.316 61 H ILE 10 H ILE 10 4.670 5.624 0.039 62 HA ILE 10 HA ILE 10 5.340 4.101 2.470 63 HB ILE 10 HB ILE 10 2.673 3.753 1.206 64 HG12 ILE 10 2HG1 ILE 10 3.208 6.073 3.068 65 HG13 ILE 10 1HG1 ILE 10 3.114 6.251 1.320 66 HG21 ILE 10 1HG2 ILE 10 1.996 3.109 3.307 67 HG22 ILE 10 2HG2 ILE 10 3.251 4.048 4.119 68 HG23 ILE 10 3HG2 ILE 10 3.672 2.564 3.262 69 HD11 ILE 10 3HD1 ILE 10 0.886 4.971 2.830 70 HD12 ILE 10 1HD1 ILE 10 0.853 5.784 1.267 71 HD13 ILE 10 2HD1 ILE 10 1.030 6.727 2.747 72 H LYS 11 H LYS 11 5.673 2.006 2.304 73 HA LYS 11 HA LYS 11 5.570 0.852 -0.392 74 HB2 LYS 11 2HB LYS 11 7.190 -0.232 1.908 75 HB3 LYS 11 1HB LYS 11 7.396 -0.523 0.186 76 HG2 LYS 11 2HG LYS 11 8.647 1.303 -0.111 77 HG3 LYS 11 1HG LYS 11 7.635 2.310 0.934 78 HD2 LYS 11 2HD LYS 11 9.489 2.238 2.244 79 HD3 LYS 11 1HD LYS 11 8.765 0.724 2.785 80 HE2 LYS 11 2HE LYS 11 10.431 -0.488 1.927 81 HE3 LYS 11 1HE LYS 11 10.368 0.378 0.391 82 HZ1 LYS 11 3HZ LYS 11 12.481 0.796 1.282 83 HZ2 LYS 11 1HZ LYS 11 11.877 1.102 2.834 84 HZ3 LYS 11 2HZ LYS 11 11.601 2.210 1.585 85 H CYS 12 H CYS 12 3.414 0.222 -0.304 86 HA CYS 12 HA CYS 12 2.934 -2.063 1.449 87 HB2 CYS 12 2HB CYS 12 0.763 -0.092 0.798 88 HB3 CYS 12 1HB CYS 12 0.730 -1.383 1.984 89 HG CYS 12 HG CYS 12 2.673 0.172 3.197 90 H SER 13 H SER 13 0.698 -3.099 0.628 91 HA SER 13 HA SER 13 0.952 -3.429 -2.290 92 HB2 SER 13 2HB SER 13 1.797 -5.403 -1.091 93 HB3 SER 13 1HB SER 13 0.267 -5.542 -0.226 94 HG SER 13 HG SER 13 -0.754 -5.964 -2.194 95 H HIS 14 H HIS 14 -1.090 -4.250 -3.332 96 HA HIS 14 HA HIS 14 -3.483 -3.366 -1.868 97 HB2 HIS 14 2HB HIS 14 -4.335 -2.228 -3.811 98 HB3 HIS 14 1HB HIS 14 -2.725 -1.614 -3.462 99 HD1 HIS 14 1HD HIS 14 -3.786 -1.182 -6.235 100 HD2 HIS 14 2HD HIS 14 -1.652 -4.580 -5.162 101 HE1 HIS 14 1HE HIS 14 -2.851 -2.095 -8.383 102 HE2 HIS 14 2HE HIS 14 -1.673 -4.220 -7.722 103 H ILE 15 H ILE 15 -5.447 -4.323 -2.441 104 HA ILE 15 HA ILE 15 -5.516 -6.451 -4.394 105 HB ILE 15 HB ILE 15 -5.778 -7.037 -1.442 106 HG12 ILE 15 2HG1 ILE 15 -4.242 -9.002 -2.391 107 HG13 ILE 15 1HG1 ILE 15 -3.868 -7.787 -3.604 108 HG21 ILE 15 1HG2 ILE 15 -7.111 -8.290 -3.709 109 HG22 ILE 15 2HG2 ILE 15 -7.433 -8.435 -1.981 110 HG23 ILE 15 3HG2 ILE 15 -6.183 -9.427 -2.732 111 HD11 ILE 15 3HD1 ILE 15 -2.270 -7.200 -2.156 112 HD12 ILE 15 1HD1 ILE 15 -3.089 -7.950 -0.787 113 HD13 ILE 15 2HD1 ILE 15 -3.577 -6.347 -1.336 114 H LEU 16 H LEU 16 -7.514 -6.552 -5.290 115 HA LEU 16 HA LEU 16 -9.747 -5.362 -3.773 116 HB2 LEU 16 2HB LEU 16 -8.678 -4.345 -6.100 117 HB3 LEU 16 1HB LEU 16 -10.031 -5.285 -6.680 118 HG LEU 16 HG LEU 16 -10.312 -3.223 -4.504 119 HD11 LEU 16 1HD1 LEU 16 -9.451 -2.286 -6.687 120 HD12 LEU 16 2HD1 LEU 16 -10.978 -1.624 -6.105 121 HD13 LEU 16 3HD1 LEU 16 -10.972 -2.812 -7.407 122 HD21 LEU 16 3HD2 LEU 16 -12.347 -4.099 -4.350 123 HD22 LEU 16 1HD2 LEU 16 -12.047 -5.171 -5.718 124 HD23 LEU 16 2HD2 LEU 16 -12.657 -3.539 -5.994 125 H VAL 17 H VAL 17 -11.648 -6.406 -3.737 126 HA VAL 17 HA VAL 17 -12.205 -8.577 -5.585 127 HB VAL 17 HB VAL 17 -12.793 -10.151 -3.783 128 HG11 VAL 17 1HG1 VAL 17 -10.845 -10.964 -4.490 129 HG12 VAL 17 2HG1 VAL 17 -10.194 -10.313 -2.988 130 HG13 VAL 17 3HG1 VAL 17 -10.058 -9.387 -4.478 131 HG21 VAL 17 3HG2 VAL 17 -13.023 -9.345 -1.732 132 HG22 VAL 17 1HG2 VAL 17 -12.135 -7.875 -2.135 133 HG23 VAL 17 2HG2 VAL 17 -11.266 -9.318 -1.624 134 H LYS 18 H LYS 18 -14.374 -8.757 -5.965 135 HA LYS 18 HA LYS 18 -16.125 -6.793 -4.910 136 HB2 LYS 18 2HB LYS 18 -16.328 -9.066 -6.783 137 HB3 LYS 18 1HB LYS 18 -17.813 -8.698 -5.919 138 HG2 LYS 18 2HG LYS 18 -18.149 -6.783 -7.043 139 HG3 LYS 18 1HG LYS 18 -16.433 -6.372 -7.063 140 HD2 LYS 18 2HD LYS 18 -16.183 -8.243 -8.783 141 HD3 LYS 18 1HD LYS 18 -17.942 -8.203 -8.909 142 HE2 LYS 18 2HE LYS 18 -16.412 -5.656 -9.149 143 HE3 LYS 18 1HE LYS 18 -16.438 -6.769 -10.517 144 HZ1 LYS 18 3HZ LYS 18 -18.870 -6.702 -10.446 145 HZ2 LYS 18 1HZ LYS 18 -18.209 -5.166 -10.707 146 HZ3 LYS 18 2HZ LYS 18 -18.810 -5.580 -9.182 147 H LYS 19 H LYS 19 -15.056 -9.842 -3.814 148 HA LYS 19 HA LYS 19 -17.253 -10.563 -2.174 149 HB2 LYS 19 2HB LYS 19 -14.918 -11.711 -3.093 150 HB3 LYS 19 1HB LYS 19 -14.594 -11.475 -1.395 151 HG2 LYS 19 2HG LYS 19 -16.605 -13.195 -2.724 152 HG3 LYS 19 1HG LYS 19 -15.465 -13.603 -1.447 153 HD2 LYS 19 2HD LYS 19 -17.024 -11.703 -0.241 154 HD3 LYS 19 1HD LYS 19 -18.190 -12.538 -1.269 155 HE2 LYS 19 2HE LYS 19 -18.215 -14.312 0.078 156 HE3 LYS 19 1HE LYS 19 -16.455 -14.415 0.076 157 HZ1 LYS 19 3HZ LYS 19 -16.831 -12.325 1.679 158 HZ2 LYS 19 1HZ LYS 19 -16.723 -13.920 2.238 159 HZ3 LYS 19 2HZ LYS 19 -18.238 -13.201 2.018 160 H GLN 20 H GLN 20 -17.552 -8.380 -1.226 161 HA GLN 20 HA GLN 20 -15.777 -6.957 0.263 162 HB2 GLN 20 2HB GLN 20 -17.810 -6.290 1.676 163 HB3 GLN 20 1HB GLN 20 -17.879 -5.980 -0.053 164 HG2 GLN 20 2HG GLN 20 -19.457 -7.594 -0.422 165 HG3 GLN 20 1HG GLN 20 -18.975 -8.542 0.985 166 HE21 GLN 20 1HE2 GLN 20 -20.494 -8.592 2.464 167 HE22 GLN 20 2HE2 GLN 20 -21.559 -7.298 2.886 168 H GLY 21 H GLY 21 -17.392 -9.919 1.247 169 HA2 GLY 21 2HA GLY 21 -16.657 -9.661 3.994 170 HA3 GLY 21 1HA GLY 21 -17.249 -11.122 3.226 171 H GLU 22 H GLU 22 -15.137 -11.032 1.194 172 HA GLU 22 HA GLU 22 -13.183 -12.541 2.588 173 HB2 GLU 22 2HB GLU 22 -12.440 -13.092 0.520 174 HB3 GLU 22 1HB GLU 22 -13.990 -12.447 0.040 175 HG2 GLU 22 2HG GLU 22 -12.768 -11.299 -1.422 176 HG3 GLU 22 1HG GLU 22 -12.472 -10.236 -0.051 177 H ALA 23 H ALA 23 -13.296 -9.310 1.247 178 HA ALA 23 HA ALA 23 -10.706 -8.441 1.555 179 HB1 ALA 23 1HB ALA 23 -12.639 -7.168 0.554 180 HB2 ALA 23 2HB ALA 23 -11.549 -6.216 1.562 181 HB3 ALA 23 3HB ALA 23 -13.106 -6.739 2.199 182 H LEU 24 H LEU 24 -13.224 -8.775 3.988 183 HA LEU 24 HA LEU 24 -11.775 -7.510 6.101 184 HB2 LEU 24 2HB LEU 24 -14.333 -8.004 5.845 185 HB3 LEU 24 1HB LEU 24 -13.919 -9.548 6.562 186 HG LEU 24 HG LEU 24 -14.744 -7.892 8.210 187 HD11 LEU 24 1HD1 LEU 24 -12.772 -9.710 8.498 188 HD12 LEU 24 2HD1 LEU 24 -13.428 -8.748 9.823 189 HD13 LEU 24 3HD1 LEU 24 -11.939 -8.245 9.023 190 HD21 LEU 24 3HD2 LEU 24 -13.760 -5.878 8.604 191 HD22 LEU 24 1HD2 LEU 24 -13.415 -6.030 6.881 192 HD23 LEU 24 2HD2 LEU 24 -12.170 -6.424 8.066 193 H ALA 25 H ALA 25 -12.085 -10.776 4.895 194 HA ALA 25 HA ALA 25 -10.744 -11.988 7.129 195 HB1 ALA 25 1HB ALA 25 -12.280 -13.389 6.070 196 HB2 ALA 25 2HB ALA 25 -10.715 -13.988 5.517 197 HB3 ALA 25 3HB ALA 25 -11.694 -12.971 4.458 198 H VAL 26 H VAL 26 -9.861 -11.159 3.787 199 HA VAL 26 HA VAL 26 -7.375 -12.291 3.620 200 HB VAL 26 HB VAL 26 -6.809 -10.795 1.917 201 HG11 VAL 26 1HG1 VAL 26 -8.489 -11.345 0.579 202 HG12 VAL 26 2HG1 VAL 26 -9.602 -10.263 1.416 203 HG13 VAL 26 3HG1 VAL 26 -9.350 -11.903 2.012 204 HG21 VAL 26 3HG2 VAL 26 -6.810 -8.660 2.747 205 HG22 VAL 26 1HG2 VAL 26 -8.412 -8.821 3.466 206 HG23 VAL 26 2HG2 VAL 26 -8.248 -8.600 1.725 207 H GLN 27 H GLN 27 -8.261 -9.338 5.353 208 HA GLN 27 HA GLN 27 -5.664 -8.427 5.842 209 HB2 GLN 27 2HB GLN 27 -6.583 -6.927 7.344 210 HB3 GLN 27 1HB GLN 27 -7.967 -7.302 6.335 211 HG2 GLN 27 2HG GLN 27 -9.123 -8.124 8.046 212 HG3 GLN 27 1HG GLN 27 -7.759 -9.042 8.663 213 HE21 GLN 27 1HE2 GLN 27 -8.842 -5.684 8.360 214 HE22 GLN 27 2HE2 GLN 27 -8.306 -5.190 9.926 215 H GLU 28 H GLU 28 -7.720 -10.608 7.724 216 HA GLU 28 HA GLU 28 -5.690 -11.206 9.650 217 HB2 GLU 28 2HB GLU 28 -7.263 -12.643 10.641 218 HB3 GLU 28 1HB GLU 28 -8.231 -11.343 9.963 219 HG2 GLU 28 2HG GLU 28 -9.132 -12.677 8.328 220 HG3 GLU 28 1HG GLU 28 -7.790 -13.817 8.357 221 H ARG 29 H ARG 29 -6.734 -12.516 6.610 222 HA ARG 29 HA ARG 29 -5.383 -15.028 6.862 223 HB2 ARG 29 2HB ARG 29 -7.456 -14.377 5.435 224 HB3 ARG 29 1HB ARG 29 -6.266 -13.836 4.259 225 HG2 ARG 29 2HG ARG 29 -6.813 -16.004 3.613 226 HG3 ARG 29 1HG ARG 29 -5.261 -16.164 4.442 227 HD2 ARG 29 2HD ARG 29 -6.914 -17.913 5.064 228 HD3 ARG 29 1HD ARG 29 -6.339 -16.959 6.431 229 HE ARG 29 HE ARG 29 -8.480 -16.260 6.770 230 HH11 ARG 29 1HH1 ARG 29 -8.212 -17.407 3.485 231 HH12 ARG 29 2HH1 ARG 29 -9.902 -17.229 3.152 232 HH21 ARG 29 1HH2 ARG 29 -10.704 -16.024 6.333 233 HH22 ARG 29 2HH2 ARG 29 -11.317 -16.442 4.768 234 H LEU 30 H LEU 30 -4.590 -11.915 5.440 235 HA LEU 30 HA LEU 30 -2.539 -12.607 3.738 236 HB2 LEU 30 2HB LEU 30 -3.594 -10.320 4.215 237 HB3 LEU 30 1HB LEU 30 -2.415 -10.175 5.500 238 HG LEU 30 HG LEU 30 -1.628 -9.006 3.543 239 HD11 LEU 30 1HD1 LEU 30 0.528 -9.785 3.556 240 HD12 LEU 30 2HD1 LEU 30 0.035 -11.477 3.521 241 HD13 LEU 30 3HD1 LEU 30 -0.111 -10.547 5.012 242 HD21 LEU 30 3HD2 LEU 30 -1.192 -11.300 1.817 243 HD22 LEU 30 1HD2 LEU 30 -1.891 -9.724 1.448 244 HD23 LEU 30 2HD2 LEU 30 -2.904 -11.002 2.114 245 H LYS 31 H LYS 31 -2.234 -11.797 7.199 246 HA LYS 31 HA LYS 31 0.550 -12.412 7.280 247 HB2 LYS 31 2HB LYS 31 0.282 -12.241 9.733 248 HB3 LYS 31 1HB LYS 31 -0.385 -10.858 8.877 249 HG2 LYS 31 2HG LYS 31 -2.354 -12.943 9.294 250 HG3 LYS 31 1HG LYS 31 -1.654 -12.363 10.808 251 HD2 LYS 31 2HD LYS 31 -2.143 -10.070 9.273 252 HD3 LYS 31 1HD LYS 31 -3.563 -11.094 9.062 253 HE2 LYS 31 2HE LYS 31 -3.586 -11.342 11.585 254 HE3 LYS 31 1HE LYS 31 -2.394 -10.045 11.627 255 HZ1 LYS 31 3HZ LYS 31 -4.294 -8.993 10.054 256 HZ2 LYS 31 1HZ LYS 31 -4.193 -8.739 11.725 257 HZ3 LYS 31 2HZ LYS 31 -5.233 -9.922 11.109 258 H ALA 32 H ALA 32 -2.165 -14.374 7.096 259 HA ALA 32 HA ALA 32 -1.380 -16.493 8.816 260 HB1 ALA 32 1HB ALA 32 -3.170 -16.873 6.457 261 HB2 ALA 32 2HB ALA 32 -3.703 -15.938 7.854 262 HB3 ALA 32 3HB ALA 32 -3.240 -17.630 8.047 263 H GLY 33 H GLY 33 0.906 -15.959 7.387 264 HA2 GLY 33 2HA GLY 33 2.579 -17.250 6.486 265 HA3 GLY 33 1HA GLY 33 1.408 -18.524 6.232 266 H GLU 34 H GLU 34 -0.125 -16.123 4.766 267 HA GLU 34 HA GLU 34 1.004 -16.847 2.178 268 HB2 GLU 34 2HB GLU 34 -1.028 -15.578 1.305 269 HB3 GLU 34 1HB GLU 34 -1.340 -17.065 2.191 270 HG2 GLU 34 2HG GLU 34 -1.957 -15.837 4.148 271 HG3 GLU 34 1HG GLU 34 -1.484 -14.316 3.395 272 H LYS 35 H LYS 35 1.500 -15.268 0.572 273 HA LYS 35 HA LYS 35 2.529 -12.787 1.754 274 HB2 LYS 35 2HB LYS 35 4.067 -14.448 0.564 275 HB3 LYS 35 1HB LYS 35 3.295 -13.924 -0.928 276 HG2 LYS 35 2HG LYS 35 4.124 -11.729 -0.704 277 HG3 LYS 35 1HG LYS 35 4.603 -12.002 0.972 278 HD2 LYS 35 2HD LYS 35 5.826 -13.881 -0.896 279 HD3 LYS 35 1HD LYS 35 6.244 -12.199 -1.228 280 HE2 LYS 35 2HE LYS 35 6.353 -12.908 1.607 281 HE3 LYS 35 1HE LYS 35 7.482 -13.817 0.603 282 HZ1 LYS 35 3HZ LYS 35 7.878 -11.368 -0.332 283 HZ2 LYS 35 1HZ LYS 35 8.758 -12.012 0.962 284 HZ3 LYS 35 2HZ LYS 35 7.447 -10.985 1.258 285 H PHE 36 H PHE 36 2.008 -10.816 0.982 286 HA PHE 36 HA PHE 36 -0.428 -10.282 -0.145 287 HB2 PHE 36 2HB PHE 36 0.748 -8.076 -0.923 288 HB3 PHE 36 1HB PHE 36 0.599 -8.424 0.797 289 HD1 PHE 36 1HD PHE 36 2.950 -8.871 -2.052 290 HD2 PHE 36 2HD PHE 36 2.473 -8.332 2.140 291 HE1 PHE 36 1HE PHE 36 5.390 -8.683 -1.805 292 HE2 PHE 36 2HE PHE 36 4.913 -8.143 2.397 293 HZ PHE 36 HZ PHE 36 6.374 -8.319 0.423 294 H GLY 37 H GLY 37 2.568 -11.067 -1.760 295 HA2 GLY 37 2HA GLY 37 1.907 -10.251 -4.365 296 HA3 GLY 37 1HA GLY 37 3.067 -11.502 -3.953 297 H LYS 38 H LYS 38 1.151 -13.168 -2.582 298 HA LYS 38 HA LYS 38 0.230 -14.679 -4.793 299 HB2 LYS 38 2HB LYS 38 0.873 -15.745 -2.702 300 HB3 LYS 38 1HB LYS 38 -0.409 -14.899 -1.846 301 HG2 LYS 38 2HG LYS 38 -1.898 -16.452 -2.375 302 HG3 LYS 38 1HG LYS 38 -1.461 -16.384 -4.084 303 HD2 LYS 38 2HD LYS 38 -0.940 -18.570 -3.521 304 HD3 LYS 38 1HD LYS 38 0.614 -17.752 -3.348 305 HE2 LYS 38 2HE LYS 38 -0.959 -17.669 -0.906 306 HE3 LYS 38 1HE LYS 38 -0.646 -19.319 -1.444 307 HZ1 LYS 38 3HZ LYS 38 1.551 -17.359 -1.346 308 HZ2 LYS 38 1HZ LYS 38 1.619 -19.046 -1.238 309 HZ3 LYS 38 2HZ LYS 38 1.052 -18.138 0.070 310 H LEU 39 H LEU 39 -1.515 -12.847 -2.289 311 HA LEU 39 HA LEU 39 -4.103 -13.289 -3.138 312 HB2 LEU 39 2HB LEU 39 -2.934 -10.808 -1.899 313 HB3 LEU 39 1HB LEU 39 -4.645 -11.093 -2.083 314 HG LEU 39 HG LEU 39 -4.178 -11.618 0.157 315 HD11 LEU 39 1HD1 LEU 39 -5.607 -13.262 -0.859 316 HD12 LEU 39 2HD1 LEU 39 -4.551 -14.047 0.315 317 HD13 LEU 39 3HD1 LEU 39 -4.210 -14.189 -1.408 318 HD21 LEU 39 3HD2 LEU 39 -1.647 -11.834 -0.367 319 HD22 LEU 39 1HD2 LEU 39 -2.006 -13.551 -0.535 320 HD23 LEU 39 2HD2 LEU 39 -2.332 -12.728 0.991 321 H ALA 40 H ALA 40 -1.742 -10.979 -4.363 322 HA ALA 40 HA ALA 40 -3.356 -9.319 -5.869 323 HB1 ALA 40 1HB ALA 40 -1.394 -8.471 -6.473 324 HB2 ALA 40 2HB ALA 40 -0.980 -9.939 -7.359 325 HB3 ALA 40 3HB ALA 40 -0.607 -9.811 -5.640 326 H LYS 41 H LYS 41 -1.813 -12.336 -6.928 327 HA LYS 41 HA LYS 41 -3.395 -12.370 -9.354 328 HB2 LYS 41 2HB LYS 41 -1.503 -14.483 -8.322 329 HB3 LYS 41 1HB LYS 41 -2.103 -14.307 -9.966 330 HG2 LYS 41 2HG LYS 41 -0.943 -11.905 -9.638 331 HG3 LYS 41 1HG LYS 41 0.068 -12.887 -8.575 332 HD2 LYS 41 2HD LYS 41 -0.103 -14.489 -10.759 333 HD3 LYS 41 1HD LYS 41 -0.162 -12.892 -11.507 334 HE2 LYS 41 2HE LYS 41 2.122 -13.462 -11.420 335 HE3 LYS 41 1HE LYS 41 1.870 -12.319 -10.101 336 HZ1 LYS 41 3HZ LYS 41 1.440 -14.610 -8.837 337 HZ2 LYS 41 1HZ LYS 41 2.968 -13.890 -8.947 338 HZ3 LYS 41 2HZ LYS 41 2.545 -15.142 -10.002 339 H GLU 42 H GLU 42 -3.494 -13.704 -6.170 340 HA GLU 42 HA GLU 42 -5.096 -15.972 -6.755 341 HB2 GLU 42 2HB GLU 42 -3.897 -14.764 -4.435 342 HB3 GLU 42 1HB GLU 42 -5.534 -15.267 -4.082 343 HG2 GLU 42 2HG GLU 42 -3.857 -17.206 -5.531 344 HG3 GLU 42 1HG GLU 42 -3.421 -16.876 -3.855 345 H LEU 43 H LEU 43 -6.103 -13.067 -4.859 346 HA LEU 43 HA LEU 43 -8.771 -13.496 -6.030 347 HB2 LEU 43 2HB LEU 43 -9.506 -12.227 -3.838 348 HB3 LEU 43 1HB LEU 43 -9.307 -13.963 -3.899 349 HG LEU 43 HG LEU 43 -8.388 -12.797 -1.864 350 HD11 LEU 43 1HD1 LEU 43 -7.350 -14.938 -3.403 351 HD12 LEU 43 2HD1 LEU 43 -7.292 -14.698 -1.657 352 HD13 LEU 43 3HD1 LEU 43 -5.998 -14.070 -2.677 353 HD21 LEU 43 3HD2 LEU 43 -6.775 -11.263 -1.967 354 HD22 LEU 43 1HD2 LEU 43 -7.225 -11.098 -3.662 355 HD23 LEU 43 2HD2 LEU 43 -5.883 -12.144 -3.205 356 H SER 44 H SER 44 -6.252 -11.189 -5.732 357 HA SER 44 HA SER 44 -7.806 -8.823 -5.764 358 HB2 SER 44 2HB SER 44 -5.200 -9.179 -5.561 359 HB3 SER 44 1HB SER 44 -5.260 -8.940 -7.295 360 HG SER 44 HG SER 44 -5.158 -6.915 -6.694 361 H ILE 45 H ILE 45 -9.032 -7.958 -7.274 362 HA ILE 45 HA ILE 45 -8.958 -9.143 -9.956 363 HB ILE 45 HB ILE 45 -11.265 -8.064 -10.162 364 HG12 ILE 45 2HG1 ILE 45 -11.815 -8.181 -7.343 365 HG13 ILE 45 1HG1 ILE 45 -10.506 -7.045 -7.632 366 HG21 ILE 45 1HG2 ILE 45 -11.186 -10.397 -9.988 367 HG22 ILE 45 2HG2 ILE 45 -12.301 -9.894 -8.717 368 HG23 ILE 45 3HG2 ILE 45 -10.644 -10.340 -8.309 369 HD11 ILE 45 3HD1 ILE 45 -13.282 -6.686 -7.995 370 HD12 ILE 45 1HD1 ILE 45 -12.482 -6.532 -9.560 371 HD13 ILE 45 2HD1 ILE 45 -11.967 -5.525 -8.202 372 H ASP 46 H ASP 46 -8.672 -6.085 -8.273 373 HA ASP 46 HA ASP 46 -8.314 -4.795 -10.900 374 HB2 ASP 46 2HB ASP 46 -10.452 -4.189 -9.673 375 HB3 ASP 46 1HB ASP 46 -9.428 -3.385 -8.489 376 H GLY 47 H GLY 47 -6.164 -4.580 -11.063 377 HA2 GLY 47 2HA GLY 47 -4.850 -2.540 -9.705 378 HA3 GLY 47 1HA GLY 47 -4.411 -4.043 -8.906 379 H GLY 48 H GLY 48 -2.881 -2.063 -10.580 380 HA2 GLY 48 2HA GLY 48 -2.154 -3.555 -12.951 381 HA3 GLY 48 1HA GLY 48 -1.403 -2.070 -12.377 382 H SER 49 H SER 49 -0.953 -3.045 -9.718 383 HA SER 49 HA SER 49 1.547 -4.362 -10.175 384 HB2 SER 49 2HB SER 49 0.265 -3.871 -7.488 385 HB3 SER 49 1HB SER 49 1.981 -4.008 -7.870 386 HG SER 49 HG SER 49 0.213 -1.905 -8.560 387 H ALA 50 H ALA 50 -1.539 -5.581 -10.065 388 HA ALA 50 HA ALA 50 -1.271 -7.802 -8.347 389 HB1 ALA 50 1HB ALA 50 -3.437 -7.832 -8.898 390 HB2 ALA 50 2HB ALA 50 -2.941 -8.676 -10.366 391 HB3 ALA 50 3HB ALA 50 -3.154 -6.924 -10.385 392 H LYS 51 H LYS 51 0.010 -7.044 -11.422 393 HA LYS 51 HA LYS 51 0.721 -9.782 -12.072 394 HB2 LYS 51 2HB LYS 51 0.562 -7.222 -13.460 395 HB3 LYS 51 1HB LYS 51 2.023 -8.112 -13.847 396 HG2 LYS 51 2HG LYS 51 0.914 -9.668 -15.023 397 HG3 LYS 51 1HG LYS 51 -0.423 -9.717 -13.872 398 HD2 LYS 51 2HD LYS 51 -0.808 -7.276 -14.920 399 HD3 LYS 51 1HD LYS 51 -0.071 -8.082 -16.304 400 HE2 LYS 51 2HE LYS 51 -1.747 -9.865 -16.146 401 HE3 LYS 51 1HE LYS 51 -2.486 -9.041 -14.773 402 HZ1 LYS 51 3HZ LYS 51 -3.772 -8.362 -16.548 403 HZ2 LYS 51 1HZ LYS 51 -2.460 -8.249 -17.612 404 HZ3 LYS 51 2HZ LYS 51 -2.676 -7.081 -16.407 405 H ARG 52 H ARG 52 1.865 -7.387 -10.112 406 HA ARG 52 HA ARG 52 4.637 -8.344 -10.285 407 HB2 ARG 52 2HB ARG 52 3.807 -5.615 -9.304 408 HB3 ARG 52 1HB ARG 52 5.423 -6.176 -9.700 409 HG2 ARG 52 2HG ARG 52 3.310 -6.098 -11.806 410 HG3 ARG 52 1HG ARG 52 4.170 -4.628 -11.347 411 HD2 ARG 52 2HD ARG 52 5.991 -5.241 -12.478 412 HD3 ARG 52 1HD ARG 52 5.986 -6.847 -11.751 413 HE ARG 52 HE ARG 52 5.084 -7.645 -13.681 414 HH11 ARG 52 1HH1 ARG 52 4.418 -4.224 -13.506 415 HH12 ARG 52 2HH1 ARG 52 3.679 -4.160 -15.071 416 HH21 ARG 52 1HH2 ARG 52 4.114 -7.564 -15.739 417 HH22 ARG 52 2HH2 ARG 52 3.505 -6.057 -16.339 418 H ASP 53 H ASP 53 2.286 -9.256 -8.664 419 HA ASP 53 HA ASP 53 2.003 -10.165 -6.606 420 HB2 ASP 53 2HB ASP 53 3.862 -10.757 -5.495 421 HB3 ASP 53 1HB ASP 53 4.736 -9.949 -6.785 422 H GLY 54 H GLY 54 1.176 -7.463 -7.390 423 HA2 GLY 54 2HA GLY 54 0.110 -5.653 -6.477 424 HA3 GLY 54 1HA GLY 54 -0.122 -6.675 -5.068 425 H SER 55 H SER 55 3.125 -6.028 -6.025 426 HA SER 55 HA SER 55 3.654 -4.718 -3.542 427 HB2 SER 55 2HB SER 55 5.246 -5.728 -5.815 428 HB3 SER 55 1HB SER 55 5.941 -4.353 -4.959 429 HG SER 55 HG SER 55 6.224 -5.553 -3.226 430 H LEU 56 H LEU 56 2.333 -2.886 -3.654 431 HA LEU 56 HA LEU 56 2.368 -0.959 -5.674 432 HB2 LEU 56 2HB LEU 56 1.692 -0.880 -2.758 433 HB3 LEU 56 1HB LEU 56 1.659 0.583 -3.700 434 HG LEU 56 HG LEU 56 -0.078 -1.853 -3.970 435 HD11 LEU 56 1HD1 LEU 56 -0.480 1.031 -3.312 436 HD12 LEU 56 2HD1 LEU 56 -1.051 -0.406 -2.463 437 HD13 LEU 56 3HD1 LEU 56 -1.800 0.077 -3.985 438 HD21 LEU 56 3HD2 LEU 56 0.313 -1.505 -6.214 439 HD22 LEU 56 1HD2 LEU 56 0.552 0.232 -6.013 440 HD23 LEU 56 2HD2 LEU 56 -1.073 -0.451 -5.929 441 H GLY 57 H GLY 57 4.686 -1.700 -3.239 442 HA2 GLY 57 2HA GLY 57 6.708 -0.765 -2.690 443 HA3 GLY 57 1HA GLY 57 6.700 -0.111 -4.318 444 H TYR 58 H TYR 58 7.868 1.681 -3.264 445 HA TYR 58 HA TYR 58 6.644 3.321 -1.328 446 HB2 TYR 58 2HB TYR 58 8.415 4.731 -3.207 447 HB3 TYR 58 1HB TYR 58 8.472 4.647 -1.456 448 HD1 TYR 58 1HD TYR 58 9.509 3.001 -4.585 449 HD2 TYR 58 2HD TYR 58 9.870 3.036 -0.345 450 HE1 TYR 58 1HE TYR 58 11.442 1.489 -4.743 451 HE2 TYR 58 2HE TYR 58 11.802 1.523 -0.492 452 HH TYR 58 HH TYR 58 13.481 0.826 -2.064 453 H PHE 59 H PHE 59 4.944 4.558 -1.477 454 HA PHE 59 HA PHE 59 4.500 6.121 -3.889 455 HB2 PHE 59 2HB PHE 59 2.026 5.652 -3.754 456 HB3 PHE 59 1HB PHE 59 3.018 4.332 -4.347 457 HD1 PHE 59 1HD PHE 59 1.254 5.614 -1.365 458 HD2 PHE 59 2HD PHE 59 2.976 2.232 -3.291 459 HE1 PHE 59 1HE PHE 59 0.262 4.145 0.339 460 HE2 PHE 59 2HE PHE 59 1.988 0.756 -1.588 461 HZ PHE 59 HZ PHE 59 0.627 1.715 0.229 462 H GLY 60 H GLY 60 3.682 8.094 -3.507 463 HA2 GLY 60 2HA GLY 60 3.490 8.842 -0.677 464 HA3 GLY 60 1HA GLY 60 3.789 9.947 -2.008 465 H ARG 61 H ARG 61 2.034 11.060 -0.615 466 HA ARG 61 HA ARG 61 -0.639 10.069 -1.005 467 HB2 ARG 61 2HB ARG 61 -1.339 12.085 0.208 468 HB3 ARG 61 1HB ARG 61 -0.091 11.210 1.084 469 HG2 ARG 61 2HG ARG 61 1.551 12.848 -0.003 470 HG3 ARG 61 1HG ARG 61 0.122 13.808 -0.392 471 HD2 ARG 61 2HD ARG 61 0.686 12.839 2.392 472 HD3 ARG 61 1HD ARG 61 1.348 14.354 1.780 473 HE ARG 61 HE ARG 61 -1.230 14.701 1.259 474 HH11 ARG 61 1HH1 ARG 61 0.321 13.490 4.147 475 HH12 ARG 61 2HH1 ARG 61 -0.925 14.062 5.203 476 HH21 ARG 61 1HH2 ARG 61 -2.864 15.453 2.651 477 HH22 ARG 61 2HH2 ARG 61 -2.733 15.175 4.355 478 H GLY 62 H GLY 62 -1.162 10.102 -3.105 479 HA2 GLY 62 2HA GLY 62 -2.315 12.068 -4.399 480 HA3 GLY 62 1HA GLY 62 -0.644 12.511 -4.668 481 H LYS 63 H LYS 63 -1.930 9.227 -4.551 482 HA LYS 63 HA LYS 63 -1.626 8.984 -7.451 483 HB2 LYS 63 2HB LYS 63 0.517 8.303 -6.336 484 HB3 LYS 63 1HB LYS 63 -0.376 7.028 -5.516 485 HG2 LYS 63 2HG LYS 63 0.491 5.882 -7.293 486 HG3 LYS 63 1HG LYS 63 -1.075 6.364 -7.947 487 HD2 LYS 63 2HD LYS 63 0.015 8.323 -8.999 488 HD3 LYS 63 1HD LYS 63 1.572 7.735 -8.414 489 HE2 LYS 63 2HE LYS 63 -0.280 6.358 -10.354 490 HE3 LYS 63 1HE LYS 63 1.287 7.082 -10.717 491 HZ1 LYS 63 3HZ LYS 63 0.676 4.569 -9.329 492 HZ2 LYS 63 1HZ LYS 63 2.090 5.401 -8.910 493 HZ3 LYS 63 2HZ LYS 63 1.848 4.891 -10.504 494 H MET 64 H MET 64 -2.559 7.345 -4.439 495 HA MET 64 HA MET 64 -4.458 5.682 -5.894 496 HB2 MET 64 2HB MET 64 -3.980 5.712 -2.919 497 HB3 MET 64 1HB MET 64 -4.710 4.433 -3.881 498 HG2 MET 64 2HG MET 64 -2.695 3.490 -3.796 499 HG3 MET 64 1HG MET 64 -2.264 4.658 -5.044 500 HE1 MET 64 3HE MET 64 -1.387 5.141 -0.550 501 HE2 MET 64 1HE MET 64 -1.633 3.554 -1.280 502 HE3 MET 64 2HE MET 64 -2.953 4.726 -1.247 503 H VAL 65 H VAL 65 -6.655 5.386 -4.794 504 HA VAL 65 HA VAL 65 -8.084 7.786 -4.960 505 HB VAL 65 HB VAL 65 -10.006 6.535 -4.078 506 HG11 VAL 65 1HG1 VAL 65 -8.290 5.116 -6.103 507 HG12 VAL 65 2HG1 VAL 65 -9.584 6.275 -6.401 508 HG13 VAL 65 3HG1 VAL 65 -9.964 4.674 -5.769 509 HG21 VAL 65 3HG2 VAL 65 -8.103 5.094 -2.684 510 HG22 VAL 65 1HG2 VAL 65 -8.694 3.954 -3.890 511 HG23 VAL 65 2HG2 VAL 65 -9.823 4.728 -2.779 512 H LYS 66 H LYS 66 -9.447 8.748 -3.244 513 HA LYS 66 HA LYS 66 -7.904 9.710 -1.137 514 HB2 LYS 66 2HB LYS 66 -10.354 10.322 -2.251 515 HB3 LYS 66 1HB LYS 66 -10.775 9.825 -0.618 516 HG2 LYS 66 2HG LYS 66 -8.507 11.557 -0.510 517 HG3 LYS 66 1HG LYS 66 -9.772 12.309 -1.482 518 HD2 LYS 66 2HD LYS 66 -10.578 12.985 0.508 519 HD3 LYS 66 1HD LYS 66 -11.220 11.344 0.603 520 HE2 LYS 66 2HE LYS 66 -8.448 11.571 1.493 521 HE3 LYS 66 1HE LYS 66 -9.575 12.532 2.450 522 HZ1 LYS 66 3HZ LYS 66 -9.782 10.577 3.534 523 HZ2 LYS 66 1HZ LYS 66 -9.352 9.637 2.192 524 HZ3 LYS 66 2HZ LYS 66 -10.918 10.265 2.322 525 HA PRO 67 HA PRO 67 -10.379 6.781 1.823 526 HB2 PRO 67 2HB PRO 67 -11.222 4.447 0.570 527 HB3 PRO 67 1HB PRO 67 -12.254 5.778 1.055 528 HG2 PRO 67 2HG PRO 67 -11.311 5.002 -1.606 529 HG3 PRO 67 1HG PRO 67 -12.700 5.997 -1.154 530 HD2 PRO 67 2HD PRO 67 -10.306 6.917 -2.234 531 HD3 PRO 67 1HD PRO 67 -11.522 7.906 -1.423 532 H PHE 68 H PHE 68 -8.726 5.278 -0.904 533 HA PHE 68 HA PHE 68 -7.458 3.261 0.694 534 HB2 PHE 68 2HB PHE 68 -7.963 3.168 -1.824 535 HB3 PHE 68 1HB PHE 68 -6.520 4.156 -2.025 536 HD1 PHE 68 1HD PHE 68 -4.344 3.245 -0.979 537 HD2 PHE 68 2HD PHE 68 -7.790 0.871 -1.746 538 HE1 PHE 68 1HE PHE 68 -2.949 1.218 -0.943 539 HE2 PHE 68 2HE PHE 68 -6.404 -1.162 -1.711 540 HZ PHE 68 HZ PHE 68 -3.979 -0.990 -1.309 541 H GLU 69 H GLU 69 -6.327 6.245 -0.883 542 HA GLU 69 HA GLU 69 -3.674 6.147 -0.038 543 HB2 GLU 69 2HB GLU 69 -4.892 7.760 -1.677 544 HB3 GLU 69 1HB GLU 69 -5.174 8.737 -0.243 545 HG2 GLU 69 2HG GLU 69 -2.537 8.302 0.008 546 HG3 GLU 69 1HG GLU 69 -2.693 8.231 -1.747 547 H ASP 70 H ASP 70 -6.576 7.160 1.625 548 HA ASP 70 HA ASP 70 -5.359 8.514 3.780 549 HB2 ASP 70 2HB ASP 70 -8.006 7.705 3.023 550 HB3 ASP 70 1HB ASP 70 -7.739 7.291 4.712 551 H ALA 71 H ALA 71 -6.521 5.163 3.485 552 HA ALA 71 HA ALA 71 -5.526 4.404 6.059 553 HB1 ALA 71 1HB ALA 71 -6.944 3.091 3.838 554 HB2 ALA 71 2HB ALA 71 -7.210 2.988 5.579 555 HB3 ALA 71 3HB ALA 71 -5.928 2.041 4.826 556 H ALA 72 H ALA 72 -4.005 4.935 3.109 557 HA ALA 72 HA ALA 72 -2.091 2.848 3.105 558 HB1 ALA 72 1HB ALA 72 -1.495 3.750 1.161 559 HB2 ALA 72 2HB ALA 72 -1.126 5.302 1.914 560 HB3 ALA 72 3HB ALA 72 -2.777 4.935 1.413 561 H PHE 73 H PHE 73 -1.906 6.228 4.221 562 HA PHE 73 HA PHE 73 0.655 5.663 5.503 563 HB2 PHE 73 2HB PHE 73 0.518 8.161 6.063 564 HB3 PHE 73 1HB PHE 73 0.713 7.725 4.370 565 HD1 PHE 73 1HD PHE 73 -1.910 8.559 6.873 566 HD2 PHE 73 2HD PHE 73 -0.715 8.614 2.790 567 HE1 PHE 73 1HE PHE 73 -3.908 9.878 6.310 568 HE2 PHE 73 2HE PHE 73 -2.711 9.935 2.219 569 HZ PHE 73 HZ PHE 73 -4.311 10.567 3.980 570 H ARG 74 H ARG 74 -2.163 4.773 6.428 571 HA ARG 74 HA ARG 74 -2.146 5.981 9.097 572 HB2 ARG 74 2HB ARG 74 -4.274 5.848 7.727 573 HB3 ARG 74 1HB ARG 74 -4.213 4.105 7.952 574 HG2 ARG 74 2HG ARG 74 -4.771 4.227 10.159 575 HG3 ARG 74 1HG ARG 74 -4.067 5.832 10.362 576 HD2 ARG 74 2HD ARG 74 -6.049 6.782 10.045 577 HD3 ARG 74 1HD ARG 74 -6.219 5.980 8.485 578 HE ARG 74 HE ARG 74 -7.449 5.221 10.971 579 HH11 ARG 74 1HH1 ARG 74 -6.407 4.100 7.835 580 HH12 ARG 74 2HH1 ARG 74 -7.514 2.768 7.805 581 HH21 ARG 74 1HH2 ARG 74 -8.906 3.471 10.933 582 HH22 ARG 74 2HH2 ARG 74 -8.933 2.412 9.563 583 H LEU 75 H LEU 75 -1.477 3.041 7.400 584 HA LEU 75 HA LEU 75 -1.221 1.578 9.930 585 HB2 LEU 75 2HB LEU 75 -1.447 0.691 7.072 586 HB3 LEU 75 1HB LEU 75 -0.906 -0.404 8.320 587 HG LEU 75 HG LEU 75 -3.616 0.585 7.726 588 HD11 LEU 75 1HD1 LEU 75 -4.037 -1.669 8.897 589 HD12 LEU 75 2HD1 LEU 75 -2.290 -1.880 8.759 590 HD13 LEU 75 3HD1 LEU 75 -3.271 -1.658 7.310 591 HD21 LEU 75 3HD2 LEU 75 -4.409 0.375 10.007 592 HD22 LEU 75 1HD2 LEU 75 -3.206 1.661 9.909 593 HD23 LEU 75 2HD2 LEU 75 -2.766 0.090 10.580 594 H GLN 76 H GLN 76 0.705 3.318 9.862 595 HA GLN 76 HA GLN 76 3.036 2.645 8.426 596 HB2 GLN 76 2HB GLN 76 2.445 4.289 10.853 597 HB3 GLN 76 1HB GLN 76 4.118 3.877 10.502 598 HG2 GLN 76 2HG GLN 76 3.299 4.755 8.081 599 HG3 GLN 76 1HG GLN 76 2.305 5.745 9.149 600 HE21 GLN 76 1HE2 GLN 76 4.188 6.888 7.526 601 HE22 GLN 76 2HE2 GLN 76 5.483 7.511 8.486 602 H VAL 77 H VAL 77 1.486 1.226 11.118 603 HA VAL 77 HA VAL 77 3.668 0.034 12.442 604 HB VAL 77 HB VAL 77 1.584 0.064 13.584 605 HG11 VAL 77 1HG1 VAL 77 0.498 -0.507 11.029 606 HG12 VAL 77 2HG1 VAL 77 -0.350 -0.059 12.509 607 HG13 VAL 77 3HG1 VAL 77 -0.053 -1.758 12.143 608 HG21 VAL 77 3HG2 VAL 77 1.414 -2.803 13.006 609 HG22 VAL 77 1HG2 VAL 77 1.754 -1.967 14.524 610 HG23 VAL 77 2HG2 VAL 77 3.048 -2.235 13.355 611 H GLY 78 H GLY 78 1.974 -0.731 9.510 612 HA2 GLY 78 2HA GLY 78 2.888 -2.118 7.823 613 HA3 GLY 78 1HA GLY 78 3.832 -2.933 9.051 614 H GLU 79 H GLU 79 0.393 -2.279 8.587 615 HA GLU 79 HA GLU 79 -0.089 -5.173 8.760 616 HB2 GLU 79 2HB GLU 79 -0.383 -3.767 10.926 617 HB3 GLU 79 1HB GLU 79 -1.861 -3.227 10.170 618 HG2 GLU 79 2HG GLU 79 -1.637 -6.085 10.033 619 HG3 GLU 79 1HG GLU 79 -1.451 -5.524 11.693 620 H VAL 80 H VAL 80 -2.559 -5.551 8.363 621 HA VAL 80 HA VAL 80 -3.119 -4.314 5.827 622 HB VAL 80 HB VAL 80 -4.714 -6.402 7.320 623 HG11 VAL 80 1HG1 VAL 80 -6.271 -5.683 5.832 624 HG12 VAL 80 2HG1 VAL 80 -5.392 -6.781 4.769 625 HG13 VAL 80 3HG1 VAL 80 -5.068 -5.050 4.709 626 HG21 VAL 80 3HG2 VAL 80 -3.675 -8.037 5.884 627 HG22 VAL 80 1HG2 VAL 80 -2.416 -7.116 6.709 628 HG23 VAL 80 2HG2 VAL 80 -2.795 -6.774 5.020 629 H SER 81 H SER 81 -5.033 -3.120 5.330 630 HA SER 81 HA SER 81 -6.137 -1.777 7.695 631 HB2 SER 81 2HB SER 81 -5.147 -0.185 6.263 632 HB3 SER 81 1HB SER 81 -5.834 -0.931 4.820 633 HG SER 81 HG SER 81 -6.868 0.994 6.372 634 H GLU 82 H GLU 82 -8.336 -1.219 7.790 635 HA GLU 82 HA GLU 82 -10.118 -3.271 7.460 636 HB2 GLU 82 2HB GLU 82 -10.363 -0.358 7.952 637 HB3 GLU 82 1HB GLU 82 -11.829 -1.209 7.480 638 HG2 GLU 82 2HG GLU 82 -11.275 -2.853 9.342 639 HG3 GLU 82 1HG GLU 82 -10.107 -1.653 9.894 640 HA PRO 83 HA PRO 83 -11.713 -3.513 3.393 641 HB2 PRO 83 2HB PRO 83 -14.436 -3.289 3.790 642 HB3 PRO 83 1HB PRO 83 -13.505 -4.773 4.026 643 HG2 PRO 83 2HG PRO 83 -14.415 -2.761 6.042 644 HG3 PRO 83 1HG PRO 83 -14.398 -4.532 6.154 645 HD2 PRO 83 2HD PRO 83 -12.525 -3.050 7.359 646 HD3 PRO 83 1HD PRO 83 -12.117 -4.602 6.599 647 H VAL 84 H VAL 84 -11.090 -1.725 2.288 648 HA VAL 84 HA VAL 84 -12.662 0.738 2.592 649 HB VAL 84 HB VAL 84 -10.040 0.266 1.160 650 HG11 VAL 84 1HG1 VAL 84 -9.964 2.703 0.882 651 HG12 VAL 84 2HG1 VAL 84 -11.589 2.825 1.560 652 HG13 VAL 84 3HG1 VAL 84 -11.332 1.984 0.030 653 HG21 VAL 84 3HG2 VAL 84 -9.464 0.273 3.388 654 HG22 VAL 84 1HG2 VAL 84 -10.761 1.382 3.830 655 HG23 VAL 84 2HG2 VAL 84 -9.335 1.984 2.985 656 H LYS 85 H LYS 85 -14.459 0.525 1.373 657 HA LYS 85 HA LYS 85 -14.286 -0.607 -1.304 658 HB2 LYS 85 2HB LYS 85 -16.158 -1.365 -0.032 659 HB3 LYS 85 1HB LYS 85 -16.598 0.275 0.425 660 HG2 LYS 85 2HG LYS 85 -18.119 -0.613 -1.246 661 HG3 LYS 85 1HG LYS 85 -17.214 0.761 -1.884 662 HD2 LYS 85 2HD LYS 85 -16.061 -0.516 -3.373 663 HD3 LYS 85 1HD LYS 85 -16.059 -1.932 -2.322 664 HE2 LYS 85 2HE LYS 85 -18.747 -1.358 -3.070 665 HE3 LYS 85 1HE LYS 85 -17.752 -1.367 -4.524 666 HZ1 LYS 85 3HZ LYS 85 -18.292 -3.547 -2.630 667 HZ2 LYS 85 1HZ LYS 85 -16.835 -3.548 -3.491 668 HZ3 LYS 85 2HZ LYS 85 -18.308 -3.566 -4.320 669 H SER 86 H SER 86 -13.706 0.688 -2.907 670 HA SER 86 HA SER 86 -14.523 3.514 -2.813 671 HB2 SER 86 2HB SER 86 -12.323 2.287 -4.489 672 HB3 SER 86 1HB SER 86 -12.659 4.004 -4.274 673 HG SER 86 HG SER 86 -10.936 2.853 -2.934 674 H GLU 87 H GLU 87 -14.296 4.256 -5.398 675 HA GLU 87 HA GLU 87 -16.716 3.467 -6.531 676 HB2 GLU 87 2HB GLU 87 -15.946 4.632 -8.563 677 HB3 GLU 87 1HB GLU 87 -15.655 5.574 -7.108 678 HG2 GLU 87 2HG GLU 87 -13.294 4.503 -7.198 679 HG3 GLU 87 1HG GLU 87 -13.702 4.184 -8.882 680 H PHE 88 H PHE 88 -13.643 1.924 -6.626 681 HA PHE 88 HA PHE 88 -14.303 0.360 -8.991 682 HB2 PHE 88 2HB PHE 88 -11.870 0.867 -7.392 683 HB3 PHE 88 1HB PHE 88 -12.006 -0.749 -8.077 684 HD1 PHE 88 1HD PHE 88 -11.754 2.831 -8.843 685 HD2 PHE 88 2HD PHE 88 -11.830 -1.115 -10.432 686 HE1 PHE 88 1HE PHE 88 -10.959 3.692 -11.006 687 HE2 PHE 88 2HE PHE 88 -11.034 -0.263 -12.598 688 HZ PHE 88 HZ PHE 88 -10.599 2.143 -12.888 689 H GLY 89 H GLY 89 -13.883 -0.101 -5.501 690 HA2 GLY 89 2HA GLY 89 -15.763 -1.983 -5.029 691 HA3 GLY 89 1HA GLY 89 -14.455 -2.935 -5.701 692 H TYR 90 H TYR 90 -14.631 -3.989 -3.608 693 HA TYR 90 HA TYR 90 -13.845 -2.618 -1.236 694 HB2 TYR 90 2HB TYR 90 -14.759 -5.252 -2.042 695 HB3 TYR 90 1HB TYR 90 -13.459 -5.356 -0.874 696 HD1 TYR 90 1HD TYR 90 -16.691 -3.596 -1.444 697 HD2 TYR 90 2HD TYR 90 -13.980 -5.227 1.396 698 HE1 TYR 90 1HE TYR 90 -18.309 -3.141 0.350 699 HE2 TYR 90 2HE TYR 90 -15.592 -4.783 3.199 700 HH TYR 90 HH TYR 90 -17.719 -2.864 3.332 701 H HIS 91 H HIS 91 -11.862 -1.692 -1.407 702 HA HIS 91 HA HIS 91 -9.616 -3.080 -2.556 703 HB2 HIS 91 2HB HIS 91 -10.010 -0.386 -1.293 704 HB3 HIS 91 1HB HIS 91 -8.394 -0.992 -1.626 705 HD1 HIS 91 1HD HIS 91 -11.231 0.678 -3.200 706 HD2 HIS 91 2HD HIS 91 -7.914 -1.491 -4.449 707 HE1 HIS 91 1HE HIS 91 -10.977 1.190 -5.648 708 HE2 HIS 91 2HE HIS 91 -8.912 -0.064 -6.363 709 H VAL 92 H VAL 92 -7.503 -3.029 -1.357 710 HA VAL 92 HA VAL 92 -7.666 -3.476 1.510 711 HB VAL 92 HB VAL 92 -6.555 -5.623 -0.306 712 HG11 VAL 92 1HG1 VAL 92 -5.391 -6.027 1.584 713 HG12 VAL 92 2HG1 VAL 92 -6.896 -6.786 2.100 714 HG13 VAL 92 3HG1 VAL 92 -6.523 -5.137 2.601 715 HG21 VAL 92 3HG2 VAL 92 -8.495 -6.968 0.620 716 HG22 VAL 92 1HG2 VAL 92 -8.897 -5.736 -0.576 717 HG23 VAL 92 2HG2 VAL 92 -9.186 -5.432 1.137 718 H ILE 93 H ILE 93 -5.597 -3.346 2.538 719 HA ILE 93 HA ILE 93 -3.354 -2.625 0.787 720 HB ILE 93 HB ILE 93 -3.569 -0.997 3.238 721 HG12 ILE 93 2HG1 ILE 93 -5.478 -0.693 0.921 722 HG13 ILE 93 1HG1 ILE 93 -5.865 -0.800 2.630 723 HG21 ILE 93 1HG2 ILE 93 -1.717 -0.705 1.734 724 HG22 ILE 93 2HG2 ILE 93 -2.728 0.739 1.676 725 HG23 ILE 93 3HG2 ILE 93 -2.807 -0.447 0.373 726 HD11 ILE 93 3HD1 ILE 93 -4.911 1.392 3.010 727 HD12 ILE 93 1HD1 ILE 93 -6.144 1.463 1.750 728 HD13 ILE 93 2HD1 ILE 93 -4.434 1.498 1.314 729 H LYS 94 H LYS 94 -1.566 -3.676 1.316 730 HA LYS 94 HA LYS 94 -1.164 -4.445 4.126 731 HB2 LYS 94 2HB LYS 94 -1.831 -6.457 2.979 732 HB3 LYS 94 1HB LYS 94 -0.684 -6.157 1.683 733 HG2 LYS 94 2HG LYS 94 -0.023 -7.914 3.356 734 HG3 LYS 94 1HG LYS 94 1.163 -6.643 3.071 735 HD2 LYS 94 2HD LYS 94 0.376 -5.486 5.101 736 HD3 LYS 94 1HD LYS 94 -0.757 -6.806 5.395 737 HE2 LYS 94 2HE LYS 94 1.476 -6.829 6.655 738 HE3 LYS 94 1HE LYS 94 0.949 -8.322 5.877 739 HZ1 LYS 94 3HZ LYS 94 2.463 -7.996 4.118 740 HZ2 LYS 94 1HZ LYS 94 3.339 -7.692 5.535 741 HZ3 LYS 94 2HZ LYS 94 2.800 -6.404 4.581 742 H ARG 95 H ARG 95 0.467 -3.247 4.800 743 HA ARG 95 HA ARG 95 2.385 -1.988 3.246 744 HB2 ARG 95 2HB ARG 95 1.731 -1.498 5.646 745 HB3 ARG 95 1HB ARG 95 2.805 -2.813 6.104 746 HG2 ARG 95 2HG ARG 95 4.133 -0.973 4.327 747 HG3 ARG 95 1HG ARG 95 3.477 -0.139 5.737 748 HD2 ARG 95 2HD ARG 95 4.795 -1.310 7.213 749 HD3 ARG 95 1HD ARG 95 4.963 -2.692 6.131 750 HE ARG 95 HE ARG 95 6.228 -0.304 5.154 751 HH11 ARG 95 1HH1 ARG 95 6.617 -3.121 7.177 752 HH12 ARG 95 2HH1 ARG 95 8.345 -3.115 7.066 753 HH21 ARG 95 1HH2 ARG 95 8.499 -0.295 5.005 754 HH22 ARG 95 2HH2 ARG 95 9.414 -1.511 5.832 755 H LEU 96 H LEU 96 4.330 -2.448 2.527 756 HA LEU 96 HA LEU 96 5.901 -4.639 3.403 757 HB2 LEU 96 2HB LEU 96 5.583 -6.111 1.741 758 HB3 LEU 96 1HB LEU 96 4.022 -5.344 1.607 759 HG LEU 96 HG LEU 96 5.185 -3.818 -0.145 760 HD11 LEU 96 1HD1 LEU 96 7.200 -5.943 0.315 761 HD12 LEU 96 2HD1 LEU 96 7.421 -4.250 -0.131 762 HD13 LEU 96 3HD1 LEU 96 6.918 -5.426 -1.347 763 HD21 LEU 96 3HD2 LEU 96 3.853 -6.338 -0.304 764 HD22 LEU 96 1HD2 LEU 96 5.042 -6.219 -1.601 765 HD23 LEU 96 2HD2 LEU 96 3.803 -4.977 -1.423 766 H GLY 97 H GLY 97 7.848 -3.740 3.425 767 HA2 GLY 97 2HA GLY 97 8.901 -2.452 1.063 768 HA3 GLY 97 1HA GLY 97 8.708 -1.390 2.444 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 19.850 18.157 8.371 2 H2 GLY 1 2HT GLY 1 20.471 16.773 7.623 3 H3 GLY 1 3HT GLY 1 20.208 16.783 9.292 4 HA2 GLY 1 1HA GLY 1 17.864 16.848 9.031 5 HA3 GLY 1 2HA GLY 1 18.038 17.111 7.302 6 HA PRO 2 HA PRO 2 17.534 12.483 8.658 7 HB2 PRO 2 2HB PRO 2 15.179 12.861 6.869 8 HB3 PRO 2 1HB PRO 2 15.331 11.893 8.340 9 HG2 PRO 2 2HG PRO 2 14.033 14.216 8.376 10 HG3 PRO 2 1HG PRO 2 15.066 13.730 9.733 11 HD2 PRO 2 2HD PRO 2 15.585 15.724 7.574 12 HD3 PRO 2 1HD PRO 2 16.068 15.757 9.282 13 H MET 3 H MET 3 19.439 12.258 7.372 14 HA MET 3 HA MET 3 19.042 12.107 4.475 15 HB2 MET 3 2HB MET 3 21.498 12.199 6.213 16 HB3 MET 3 1HB MET 3 21.584 11.765 4.512 17 HG2 MET 3 2HG MET 3 20.117 14.239 5.109 18 HG3 MET 3 1HG MET 3 21.844 14.273 5.460 19 HE1 MET 3 3HE MET 3 19.106 13.638 2.764 20 HE2 MET 3 1HE MET 3 19.823 14.549 1.435 21 HE3 MET 3 2HE MET 3 19.439 15.359 2.955 22 H GLY 4 H GLY 4 19.147 10.236 3.343 23 HA2 GLY 4 2HA GLY 4 19.798 7.979 2.988 24 HA3 GLY 4 1HA GLY 4 20.018 7.797 4.721 25 H SER 5 H SER 5 17.745 8.446 5.868 26 HA SER 5 HA SER 5 15.915 6.404 4.904 27 HB2 SER 5 2HB SER 5 16.492 6.458 7.295 28 HB3 SER 5 1HB SER 5 15.829 8.087 7.421 29 HG SER 5 HG SER 5 14.139 6.901 7.996 30 H MET 6 H MET 6 14.187 6.828 3.711 31 HA MET 6 HA MET 6 12.941 9.483 3.907 32 HB2 MET 6 2HB MET 6 13.929 8.075 1.460 33 HB3 MET 6 1HB MET 6 12.499 9.092 1.339 34 HG2 MET 6 2HG MET 6 13.843 10.824 1.064 35 HG3 MET 6 1HG MET 6 14.356 10.624 2.738 36 HE1 MET 6 3HE MET 6 15.993 9.897 -1.164 37 HE2 MET 6 1HE MET 6 16.905 11.208 -0.415 38 HE3 MET 6 2HE MET 6 15.142 11.259 -0.437 39 H ALA 7 H ALA 7 10.969 9.135 4.691 40 HA ALA 7 HA ALA 7 9.399 6.917 3.554 41 HB1 ALA 7 1HB ALA 7 8.755 6.151 5.573 42 HB2 ALA 7 2HB ALA 7 8.724 7.759 6.295 43 HB3 ALA 7 3HB ALA 7 10.257 6.908 6.101 44 H ASP 8 H ASP 8 9.569 9.826 2.886 45 HA ASP 8 HA ASP 8 7.395 11.287 3.812 46 HB2 ASP 8 2HB ASP 8 9.232 12.127 2.313 47 HB3 ASP 8 1HB ASP 8 8.438 11.305 0.972 48 H LYS 9 H LYS 9 7.585 8.779 1.392 49 HA LYS 9 HA LYS 9 4.700 8.938 0.970 50 HB2 LYS 9 2HB LYS 9 4.937 8.082 -1.153 51 HB3 LYS 9 1HB LYS 9 6.354 9.095 -0.996 52 HG2 LYS 9 2HG LYS 9 6.345 6.139 -0.527 53 HG3 LYS 9 1HG LYS 9 6.757 6.897 -2.065 54 HD2 LYS 9 2HD LYS 9 8.189 7.217 0.579 55 HD3 LYS 9 1HD LYS 9 8.807 6.439 -0.872 56 HE2 LYS 9 2HE LYS 9 8.422 8.737 -1.988 57 HE3 LYS 9 1HE LYS 9 8.372 9.348 -0.335 58 HZ1 LYS 9 3HZ LYS 9 10.575 8.283 0.003 59 HZ2 LYS 9 1HZ LYS 9 10.589 9.538 -1.133 60 HZ3 LYS 9 2HZ LYS 9 10.621 7.928 -1.649 61 H ILE 10 H ILE 10 3.835 6.589 0.301 62 HA ILE 10 HA ILE 10 4.544 4.945 2.635 63 HB ILE 10 HB ILE 10 2.039 4.358 1.159 64 HG12 ILE 10 2HG1 ILE 10 1.997 6.821 1.324 65 HG13 ILE 10 1HG1 ILE 10 0.801 6.069 2.378 66 HG21 ILE 10 1HG2 ILE 10 1.260 3.723 3.312 67 HG22 ILE 10 2HG2 ILE 10 2.610 4.532 4.108 68 HG23 ILE 10 3HG2 ILE 10 2.895 3.089 3.134 69 HD11 ILE 10 3HD1 ILE 10 2.146 7.992 3.332 70 HD12 ILE 10 1HD1 ILE 10 3.501 6.862 3.372 71 HD13 ILE 10 2HD1 ILE 10 2.039 6.517 4.296 72 H LYS 11 H LYS 11 4.682 2.785 2.479 73 HA LYS 11 HA LYS 11 5.017 1.713 -0.227 74 HB2 LYS 11 2HB LYS 11 6.697 0.719 2.047 75 HB3 LYS 11 1HB LYS 11 7.032 0.716 0.319 76 HG2 LYS 11 2HG LYS 11 8.046 2.696 0.391 77 HG3 LYS 11 1HG LYS 11 6.795 3.434 1.404 78 HD2 LYS 11 2HD LYS 11 8.639 3.482 2.798 79 HD3 LYS 11 1HD LYS 11 7.885 1.960 3.277 80 HE2 LYS 11 2HE LYS 11 9.817 0.950 2.845 81 HE3 LYS 11 1HE LYS 11 9.558 1.308 1.139 82 HZ1 LYS 11 3HZ LYS 11 11.713 2.092 2.337 83 HZ2 LYS 11 1HZ LYS 11 10.740 3.370 2.865 84 HZ3 LYS 11 2HZ LYS 11 10.958 3.103 1.211 85 H CYS 12 H CYS 12 2.774 1.047 0.117 86 HA CYS 12 HA CYS 12 2.623 -1.356 1.805 87 HB2 CYS 12 2HB CYS 12 0.233 0.278 0.989 88 HB3 CYS 12 1HB CYS 12 0.319 -0.974 2.216 89 HG CYS 12 HG CYS 12 0.598 1.852 2.808 90 H SER 13 H SER 13 0.569 -2.690 0.988 91 HA SER 13 HA SER 13 0.979 -3.180 -1.890 92 HB2 SER 13 2HB SER 13 1.823 -4.991 -0.381 93 HB3 SER 13 1HB SER 13 0.181 -5.198 0.227 94 HG SER 13 HG SER 13 -0.469 -5.814 -1.834 95 H HIS 14 H HIS 14 -0.969 -4.183 -2.979 96 HA HIS 14 HA HIS 14 -3.467 -3.342 -1.685 97 HB2 HIS 14 2HB HIS 14 -4.283 -2.334 -3.725 98 HB3 HIS 14 1HB HIS 14 -2.745 -1.599 -3.286 99 HD1 HIS 14 1HD HIS 14 -3.524 -1.236 -6.113 100 HD2 HIS 14 2HD HIS 14 -1.472 -4.611 -4.832 101 HE1 HIS 14 1HE HIS 14 -2.402 -2.160 -8.166 102 HE2 HIS 14 2HE HIS 14 -1.262 -4.266 -7.385 103 H ILE 15 H ILE 15 -5.364 -4.325 -2.366 104 HA ILE 15 HA ILE 15 -5.293 -6.564 -4.183 105 HB ILE 15 HB ILE 15 -5.552 -6.945 -1.209 106 HG12 ILE 15 2HG1 ILE 15 -4.158 -9.049 -2.112 107 HG13 ILE 15 1HG1 ILE 15 -3.771 -7.905 -3.383 108 HG21 ILE 15 1HG2 ILE 15 -6.121 -9.414 -2.323 109 HG22 ILE 15 2HG2 ILE 15 -7.100 -8.287 -3.261 110 HG23 ILE 15 3HG2 ILE 15 -7.259 -8.344 -1.506 111 HD11 ILE 15 3HD1 ILE 15 -2.830 -8.042 -0.640 112 HD12 ILE 15 1HD1 ILE 15 -3.387 -6.434 -1.101 113 HD13 ILE 15 2HD1 ILE 15 -2.130 -7.235 -2.044 114 H LEU 16 H LEU 16 -7.173 -6.519 -5.250 115 HA LEU 16 HA LEU 16 -9.479 -5.240 -3.940 116 HB2 LEU 16 2HB LEU 16 -8.411 -4.265 -6.072 117 HB3 LEU 16 1HB LEU 16 -9.176 -5.587 -6.897 118 HG LEU 16 HG LEU 16 -11.367 -4.807 -6.234 119 HD11 LEU 16 1HD1 LEU 16 -9.840 -3.308 -4.292 120 HD12 LEU 16 2HD1 LEU 16 -11.556 -3.708 -4.315 121 HD13 LEU 16 3HD1 LEU 16 -10.974 -2.278 -5.166 122 HD21 LEU 16 3HD2 LEU 16 -10.504 -3.861 -8.267 123 HD22 LEU 16 1HD2 LEU 16 -9.611 -2.634 -7.366 124 HD23 LEU 16 2HD2 LEU 16 -11.375 -2.605 -7.386 125 H VAL 17 H VAL 17 -11.310 -6.340 -3.649 126 HA VAL 17 HA VAL 17 -11.861 -8.698 -5.273 127 HB VAL 17 HB VAL 17 -12.354 -10.125 -3.400 128 HG11 VAL 17 1HG1 VAL 17 -10.232 -10.799 -3.199 129 HG12 VAL 17 2HG1 VAL 17 -9.734 -9.295 -2.430 130 HG13 VAL 17 3HG1 VAL 17 -9.825 -9.401 -4.186 131 HG21 VAL 17 3HG2 VAL 17 -13.114 -8.908 -1.622 132 HG22 VAL 17 1HG2 VAL 17 -11.894 -7.649 -1.819 133 HG23 VAL 17 2HG2 VAL 17 -11.460 -9.195 -1.088 134 H LYS 18 H LYS 18 -13.991 -8.924 -5.741 135 HA LYS 18 HA LYS 18 -15.755 -6.800 -5.037 136 HB2 LYS 18 2HB LYS 18 -15.755 -9.065 -6.874 137 HB3 LYS 18 1HB LYS 18 -17.338 -8.774 -6.169 138 HG2 LYS 18 2HG LYS 18 -17.403 -7.474 -8.065 139 HG3 LYS 18 1HG LYS 18 -16.906 -6.308 -6.838 140 HD2 LYS 18 2HD LYS 18 -15.264 -5.815 -8.294 141 HD3 LYS 18 1HD LYS 18 -14.500 -7.272 -7.652 142 HE2 LYS 18 2HE LYS 18 -16.291 -7.163 -10.079 143 HE3 LYS 18 1HE LYS 18 -14.529 -7.221 -10.116 144 HZ1 LYS 18 3HZ LYS 18 -15.043 -9.417 -10.355 145 HZ2 LYS 18 1HZ LYS 18 -16.443 -9.327 -9.409 146 HZ3 LYS 18 2HZ LYS 18 -14.922 -9.341 -8.670 147 H LYS 19 H LYS 19 -15.388 -10.138 -3.958 148 HA LYS 19 HA LYS 19 -17.800 -10.127 -2.424 149 HB2 LYS 19 2HB LYS 19 -17.263 -12.293 -2.919 150 HB3 LYS 19 1HB LYS 19 -15.535 -11.980 -2.912 151 HG2 LYS 19 2HG LYS 19 -15.412 -12.169 -0.593 152 HG3 LYS 19 1HG LYS 19 -17.161 -12.099 -0.396 153 HD2 LYS 19 2HD LYS 19 -17.414 -14.259 -1.416 154 HD3 LYS 19 1HD LYS 19 -15.703 -14.310 -1.842 155 HE2 LYS 19 2HE LYS 19 -15.276 -15.298 0.098 156 HE3 LYS 19 1HE LYS 19 -15.842 -13.854 0.938 157 HZ1 LYS 19 3HZ LYS 19 -17.320 -15.295 1.792 158 HZ2 LYS 19 1HZ LYS 19 -17.179 -16.395 0.512 159 HZ3 LYS 19 2HZ LYS 19 -18.156 -15.024 0.349 160 H GLN 20 H GLN 20 -17.474 -8.114 -1.381 161 HA GLN 20 HA GLN 20 -15.398 -7.247 0.106 162 HB2 GLN 20 2HB GLN 20 -17.141 -6.063 1.541 163 HB3 GLN 20 1HB GLN 20 -17.209 -5.779 -0.192 164 HG2 GLN 20 2HG GLN 20 -19.302 -6.476 -0.260 165 HG3 GLN 20 1HG GLN 20 -18.838 -8.029 0.432 166 HE21 GLN 20 1HE2 GLN 20 -18.364 -7.834 2.883 167 HE22 GLN 20 2HE2 GLN 20 -19.568 -6.997 3.796 168 H GLY 21 H GLY 21 -17.506 -9.863 1.032 169 HA2 GLY 21 2HA GLY 21 -16.922 -9.748 3.812 170 HA3 GLY 21 1HA GLY 21 -17.500 -11.168 2.946 171 H GLU 22 H GLU 22 -15.287 -11.083 1.045 172 HA GLU 22 HA GLU 22 -13.430 -12.657 2.518 173 HB2 GLU 22 2HB GLU 22 -12.342 -13.024 0.460 174 HB3 GLU 22 1HB GLU 22 -14.052 -12.936 0.089 175 HG2 GLU 22 2HG GLU 22 -13.738 -11.285 -1.331 176 HG3 GLU 22 1HG GLU 22 -12.802 -10.363 -0.159 177 H ALA 23 H ALA 23 -13.478 -9.387 1.262 178 HA ALA 23 HA ALA 23 -10.848 -8.618 1.585 179 HB1 ALA 23 1HB ALA 23 -12.559 -7.175 0.581 180 HB2 ALA 23 2HB ALA 23 -11.682 -6.334 1.859 181 HB3 ALA 23 3HB ALA 23 -13.302 -6.956 2.165 182 H LEU 24 H LEU 24 -13.396 -8.953 3.988 183 HA LEU 24 HA LEU 24 -11.869 -7.874 6.156 184 HB2 LEU 24 2HB LEU 24 -14.502 -8.336 5.794 185 HB3 LEU 24 1HB LEU 24 -14.078 -9.765 6.717 186 HG LEU 24 HG LEU 24 -14.931 -7.881 8.102 187 HD11 LEU 24 1HD1 LEU 24 -13.653 -8.508 9.849 188 HD12 LEU 24 2HD1 LEU 24 -12.140 -8.191 8.999 189 HD13 LEU 24 3HD1 LEU 24 -13.029 -9.683 8.691 190 HD21 LEU 24 3HD2 LEU 24 -12.377 -6.444 7.982 191 HD22 LEU 24 1HD2 LEU 24 -14.025 -5.828 8.110 192 HD23 LEU 24 2HD2 LEU 24 -13.377 -6.294 6.537 193 H ALA 25 H ALA 25 -12.271 -11.019 4.714 194 HA ALA 25 HA ALA 25 -11.034 -12.411 6.931 195 HB1 ALA 25 1HB ALA 25 -12.633 -13.718 5.863 196 HB2 ALA 25 2HB ALA 25 -11.113 -14.345 5.223 197 HB3 ALA 25 3HB ALA 25 -12.091 -13.241 4.253 198 H VAL 26 H VAL 26 -10.134 -11.466 3.634 199 HA VAL 26 HA VAL 26 -7.670 -12.725 3.475 200 HB VAL 26 HB VAL 26 -7.127 -11.333 1.671 201 HG11 VAL 26 1HG1 VAL 26 -9.975 -10.881 1.246 202 HG12 VAL 26 2HG1 VAL 26 -9.603 -12.507 1.817 203 HG13 VAL 26 3HG1 VAL 26 -8.839 -11.892 0.352 204 HG21 VAL 26 3HG2 VAL 26 -8.989 -9.277 2.849 205 HG22 VAL 26 1HG2 VAL 26 -8.232 -9.141 1.263 206 HG23 VAL 26 2HG2 VAL 26 -7.233 -9.176 2.718 207 H GLN 27 H GLN 27 -8.515 -9.615 4.931 208 HA GLN 27 HA GLN 27 -5.937 -8.668 5.376 209 HB2 GLN 27 2HB GLN 27 -6.875 -7.202 7.020 210 HB3 GLN 27 1HB GLN 27 -8.065 -7.384 5.738 211 HG2 GLN 27 2HG GLN 27 -9.348 -8.894 7.079 212 HG3 GLN 27 1HG GLN 27 -8.125 -8.881 8.343 213 HE21 GLN 27 1HE2 GLN 27 -9.536 -6.256 6.437 214 HE22 GLN 27 2HE2 GLN 27 -10.133 -5.361 7.789 215 H GLU 28 H GLU 28 -7.980 -10.647 7.516 216 HA GLU 28 HA GLU 28 -5.913 -11.027 9.452 217 HB2 GLU 28 2HB GLU 28 -7.504 -12.072 10.707 218 HB3 GLU 28 1HB GLU 28 -8.572 -11.222 9.599 219 HG2 GLU 28 2HG GLU 28 -8.756 -13.248 8.235 220 HG3 GLU 28 1HG GLU 28 -7.709 -14.098 9.371 221 H ARG 29 H ARG 29 -6.974 -12.692 6.596 222 HA ARG 29 HA ARG 29 -5.583 -15.141 7.143 223 HB2 ARG 29 2HB ARG 29 -7.570 -15.208 5.797 224 HB3 ARG 29 1HB ARG 29 -6.913 -14.032 4.672 225 HG2 ARG 29 2HG ARG 29 -6.324 -15.755 3.419 226 HG3 ARG 29 1HG ARG 29 -5.061 -16.075 4.611 227 HD2 ARG 29 2HD ARG 29 -7.795 -17.309 4.415 228 HD3 ARG 29 1HD ARG 29 -6.229 -18.112 4.313 229 HE ARG 29 HE ARG 29 -6.534 -16.837 6.823 230 HH11 ARG 29 1HH1 ARG 29 -7.597 -19.626 5.012 231 HH12 ARG 29 2HH1 ARG 29 -7.885 -20.588 6.424 232 HH21 ARG 29 1HH2 ARG 29 -6.912 -18.101 8.680 233 HH22 ARG 29 2HH2 ARG 29 -7.496 -19.722 8.505 234 H LEU 30 H LEU 30 -4.847 -12.157 5.494 235 HA LEU 30 HA LEU 30 -2.746 -12.942 3.861 236 HB2 LEU 30 2HB LEU 30 -3.890 -10.658 4.089 237 HB3 LEU 30 1HB LEU 30 -2.758 -10.352 5.392 238 HG LEU 30 HG LEU 30 -1.971 -9.342 3.333 239 HD11 LEU 30 1HD1 LEU 30 -0.447 -10.667 5.031 240 HD12 LEU 30 2HD1 LEU 30 0.215 -9.948 3.562 241 HD13 LEU 30 3HD1 LEU 30 -0.150 -11.673 3.612 242 HD21 LEU 30 3HD2 LEU 30 -2.102 -10.304 1.330 243 HD22 LEU 30 1HD2 LEU 30 -3.061 -11.567 2.100 244 HD23 LEU 30 2HD2 LEU 30 -1.323 -11.779 1.901 245 H LYS 31 H LYS 31 -2.544 -11.689 7.190 246 HA LYS 31 HA LYS 31 0.239 -12.268 7.439 247 HB2 LYS 31 2HB LYS 31 -0.044 -11.658 9.780 248 HB3 LYS 31 1HB LYS 31 -0.863 -10.500 8.743 249 HG2 LYS 31 2HG LYS 31 -2.638 -12.636 9.519 250 HG3 LYS 31 1HG LYS 31 -1.928 -11.842 10.928 251 HD2 LYS 31 2HD LYS 31 -2.604 -9.741 9.258 252 HD3 LYS 31 1HD LYS 31 -3.936 -10.881 9.055 253 HE2 LYS 31 2HE LYS 31 -2.905 -9.839 11.691 254 HE3 LYS 31 1HE LYS 31 -4.358 -9.276 10.867 255 HZ1 LYS 31 3HZ LYS 31 -4.238 -12.133 11.291 256 HZ2 LYS 31 1HZ LYS 31 -5.518 -11.053 11.534 257 HZ3 LYS 31 2HZ LYS 31 -4.316 -11.221 12.712 258 H ALA 32 H ALA 32 -2.472 -14.250 7.480 259 HA ALA 32 HA ALA 32 -1.937 -16.068 9.524 260 HB1 ALA 32 1HB ALA 32 -3.119 -16.803 6.858 261 HB2 ALA 32 2HB ALA 32 -4.012 -15.913 8.092 262 HB3 ALA 32 3HB ALA 32 -3.428 -17.543 8.428 263 H GLY 33 H GLY 33 -0.374 -15.575 6.488 264 HA2 GLY 33 2HA GLY 33 1.950 -16.792 6.852 265 HA3 GLY 33 1HA GLY 33 0.910 -18.165 6.519 266 H GLU 34 H GLU 34 -0.689 -16.241 4.722 267 HA GLU 34 HA GLU 34 0.754 -16.914 2.317 268 HB2 GLU 34 2HB GLU 34 -1.193 -15.971 1.145 269 HB3 GLU 34 1HB GLU 34 -1.665 -17.152 2.355 270 HG2 GLU 34 2HG GLU 34 -2.170 -15.271 3.902 271 HG3 GLU 34 1HG GLU 34 -1.844 -14.159 2.574 272 H LYS 35 H LYS 35 1.244 -15.364 0.639 273 HA LYS 35 HA LYS 35 2.204 -12.837 1.782 274 HB2 LYS 35 2HB LYS 35 3.679 -14.609 0.500 275 HB3 LYS 35 1HB LYS 35 3.026 -13.809 -0.922 276 HG2 LYS 35 2HG LYS 35 4.699 -12.365 -0.723 277 HG3 LYS 35 1HG LYS 35 3.846 -11.715 0.677 278 HD2 LYS 35 2HD LYS 35 5.484 -14.106 1.195 279 HD3 LYS 35 1HD LYS 35 6.383 -12.658 0.742 280 HE2 LYS 35 2HE LYS 35 4.261 -12.593 2.863 281 HE3 LYS 35 1HE LYS 35 5.918 -13.064 3.234 282 HZ1 LYS 35 3HZ LYS 35 6.390 -10.825 1.935 283 HZ2 LYS 35 1HZ LYS 35 6.079 -10.850 3.599 284 HZ3 LYS 35 2HZ LYS 35 4.846 -10.449 2.514 285 H PHE 36 H PHE 36 1.623 -10.887 0.985 286 HA PHE 36 HA PHE 36 -0.818 -10.455 -0.171 287 HB2 PHE 36 2HB PHE 36 0.276 -8.219 -0.969 288 HB3 PHE 36 1HB PHE 36 0.125 -8.549 0.754 289 HD1 PHE 36 1HD PHE 36 2.519 -8.908 -2.075 290 HD2 PHE 36 2HD PHE 36 1.982 -8.374 2.113 291 HE1 PHE 36 1HE PHE 36 4.946 -8.600 -1.808 292 HE2 PHE 36 2HE PHE 36 4.407 -8.062 2.387 293 HZ PHE 36 HZ PHE 36 5.892 -8.174 0.425 294 H GLY 37 H GLY 37 2.190 -11.220 -1.754 295 HA2 GLY 37 2HA GLY 37 1.512 -10.437 -4.374 296 HA3 GLY 37 1HA GLY 37 2.717 -11.639 -3.943 297 H LYS 38 H LYS 38 0.908 -13.397 -2.568 298 HA LYS 38 HA LYS 38 0.032 -14.951 -4.759 299 HB2 LYS 38 2HB LYS 38 -0.834 -15.251 -1.882 300 HB3 LYS 38 1HB LYS 38 -0.820 -16.494 -3.125 301 HG2 LYS 38 2HG LYS 38 1.802 -15.564 -3.015 302 HG3 LYS 38 1HG LYS 38 1.276 -15.658 -1.334 303 HD2 LYS 38 2HD LYS 38 0.333 -17.996 -2.568 304 HD3 LYS 38 1HD LYS 38 1.984 -17.777 -3.149 305 HE2 LYS 38 2HE LYS 38 2.230 -17.223 -0.482 306 HE3 LYS 38 1HE LYS 38 1.000 -18.486 -0.486 307 HZ1 LYS 38 3HZ LYS 38 2.736 -19.566 -2.143 308 HZ2 LYS 38 1HZ LYS 38 2.836 -19.780 -0.468 309 HZ3 LYS 38 2HZ LYS 38 3.813 -18.632 -1.234 310 H LEU 39 H LEU 39 -1.812 -13.193 -2.265 311 HA LEU 39 HA LEU 39 -4.365 -13.701 -3.191 312 HB2 LEU 39 2HB LEU 39 -3.301 -11.208 -1.871 313 HB3 LEU 39 1HB LEU 39 -4.998 -11.545 -2.105 314 HG LEU 39 HG LEU 39 -4.559 -12.082 0.142 315 HD11 LEU 39 1HD1 LEU 39 -4.789 -14.572 0.229 316 HD12 LEU 39 2HD1 LEU 39 -4.567 -14.587 -1.519 317 HD13 LEU 39 3HD1 LEU 39 -5.945 -13.744 -0.812 318 HD21 LEU 39 3HD2 LEU 39 -2.022 -12.215 -0.305 319 HD22 LEU 39 1HD2 LEU 39 -2.318 -13.936 -0.553 320 HD23 LEU 39 2HD2 LEU 39 -2.712 -13.189 0.995 321 H ALA 40 H ALA 40 -1.969 -11.419 -4.328 322 HA ALA 40 HA ALA 40 -3.481 -9.680 -5.838 323 HB1 ALA 40 1HB ALA 40 -1.503 -9.315 -7.185 324 HB2 ALA 40 2HB ALA 40 -0.800 -10.824 -6.601 325 HB3 ALA 40 3HB ALA 40 -1.058 -9.481 -5.486 326 H LYS 41 H LYS 41 -2.051 -12.745 -6.907 327 HA LYS 41 HA LYS 41 -3.591 -12.699 -9.359 328 HB2 LYS 41 2HB LYS 41 -2.411 -14.876 -9.790 329 HB3 LYS 41 1HB LYS 41 -1.353 -13.485 -9.584 330 HG2 LYS 41 2HG LYS 41 -0.492 -14.252 -7.625 331 HG3 LYS 41 1HG LYS 41 -1.968 -15.112 -7.182 332 HD2 LYS 41 2HD LYS 41 -0.385 -16.789 -7.667 333 HD3 LYS 41 1HD LYS 41 -1.430 -16.707 -9.087 334 HE2 LYS 41 2HE LYS 41 0.645 -16.743 -10.073 335 HE3 LYS 41 1HE LYS 41 0.369 -15.006 -9.938 336 HZ1 LYS 41 3HZ LYS 41 1.775 -14.883 -8.065 337 HZ2 LYS 41 1HZ LYS 41 2.608 -15.816 -9.205 338 HZ3 LYS 41 2HZ LYS 41 1.844 -16.564 -7.894 339 H GLU 42 H GLU 42 -3.794 -14.077 -6.196 340 HA GLU 42 HA GLU 42 -5.384 -16.330 -6.843 341 HB2 GLU 42 2HB GLU 42 -4.210 -15.167 -4.524 342 HB3 GLU 42 1HB GLU 42 -5.886 -15.529 -4.168 343 HG2 GLU 42 2HG GLU 42 -3.875 -17.473 -5.267 344 HG3 GLU 42 1HG GLU 42 -4.395 -17.370 -3.585 345 H LEU 43 H LEU 43 -6.504 -13.480 -4.941 346 HA LEU 43 HA LEU 43 -9.104 -13.844 -6.281 347 HB2 LEU 43 2HB LEU 43 -10.064 -12.785 -4.148 348 HB3 LEU 43 1HB LEU 43 -9.598 -14.472 -4.123 349 HG LEU 43 HG LEU 43 -8.986 -13.132 -2.085 350 HD11 LEU 43 1HD1 LEU 43 -6.381 -14.037 -2.945 351 HD12 LEU 43 2HD1 LEU 43 -7.652 -15.176 -3.390 352 HD13 LEU 43 3HD1 LEU 43 -7.455 -14.689 -1.709 353 HD21 LEU 43 3HD2 LEU 43 -6.705 -12.042 -3.681 354 HD22 LEU 43 1HD2 LEU 43 -7.324 -11.525 -2.113 355 HD23 LEU 43 2HD2 LEU 43 -8.227 -11.160 -3.582 356 H SER 44 H SER 44 -6.563 -11.680 -5.717 357 HA SER 44 HA SER 44 -7.949 -9.234 -5.669 358 HB2 SER 44 2HB SER 44 -5.208 -10.144 -6.045 359 HB3 SER 44 1HB SER 44 -5.565 -8.679 -6.942 360 HG SER 44 HG SER 44 -5.174 -9.007 -4.306 361 H ILE 45 H ILE 45 -8.754 -7.931 -7.222 362 HA ILE 45 HA ILE 45 -8.868 -9.025 -9.948 363 HB ILE 45 HB ILE 45 -10.748 -7.439 -10.286 364 HG12 ILE 45 2HG1 ILE 45 -10.377 -6.913 -7.338 365 HG13 ILE 45 1HG1 ILE 45 -10.047 -5.768 -8.626 366 HG21 ILE 45 1HG2 ILE 45 -11.447 -8.967 -7.831 367 HG22 ILE 45 2HG2 ILE 45 -10.859 -9.855 -9.237 368 HG23 ILE 45 3HG2 ILE 45 -12.301 -8.849 -9.370 369 HD11 ILE 45 3HD1 ILE 45 -12.083 -5.048 -7.987 370 HD12 ILE 45 1HD1 ILE 45 -12.610 -6.645 -7.457 371 HD13 ILE 45 2HD1 ILE 45 -12.586 -6.250 -9.178 372 H ASP 46 H ASP 46 -7.204 -6.764 -8.164 373 HA ASP 46 HA ASP 46 -7.052 -4.446 -9.582 374 HB2 ASP 46 2HB ASP 46 -4.741 -4.232 -8.776 375 HB3 ASP 46 1HB ASP 46 -5.807 -4.844 -7.513 376 H GLY 47 H GLY 47 -6.233 -3.745 -11.463 377 HA2 GLY 47 2HA GLY 47 -5.764 -5.549 -13.566 378 HA3 GLY 47 1HA GLY 47 -5.438 -3.823 -13.612 379 H GLY 48 H GLY 48 -3.744 -5.020 -15.038 380 HA2 GLY 48 2HA GLY 48 -1.663 -6.421 -14.801 381 HA3 GLY 48 1HA GLY 48 -1.362 -4.732 -15.148 382 H SER 49 H SER 49 -1.818 -3.625 -12.587 383 HA SER 49 HA SER 49 0.654 -3.874 -11.392 384 HB2 SER 49 2HB SER 49 -0.754 -2.005 -10.859 385 HB3 SER 49 1HB SER 49 -1.991 -3.059 -10.174 386 HG SER 49 HG SER 49 0.644 -2.908 -9.149 387 H ALA 50 H ALA 50 -1.941 -6.116 -11.237 388 HA ALA 50 HA ALA 50 -1.327 -7.291 -8.708 389 HB1 ALA 50 1HB ALA 50 -3.087 -8.647 -9.094 390 HB2 ALA 50 2HB ALA 50 -2.585 -9.002 -10.748 391 HB3 ALA 50 3HB ALA 50 -3.433 -7.499 -10.387 392 H LYS 51 H LYS 51 0.010 -7.453 -11.846 393 HA LYS 51 HA LYS 51 1.227 -10.022 -11.667 394 HB2 LYS 51 2HB LYS 51 1.372 -7.654 -13.468 395 HB3 LYS 51 1HB LYS 51 2.665 -8.827 -13.535 396 HG2 LYS 51 2HG LYS 51 -0.234 -9.545 -13.826 397 HG3 LYS 51 1HG LYS 51 0.820 -9.162 -15.186 398 HD2 LYS 51 2HD LYS 51 1.739 -11.198 -15.157 399 HD3 LYS 51 1HD LYS 51 2.010 -11.125 -13.415 400 HE2 LYS 51 2HE LYS 51 -0.529 -11.576 -13.241 401 HE3 LYS 51 1HE LYS 51 -0.391 -12.106 -14.916 402 HZ1 LYS 51 3HZ LYS 51 1.311 -13.189 -12.745 403 HZ2 LYS 51 1HZ LYS 51 1.104 -13.806 -14.306 404 HZ3 LYS 51 2HZ LYS 51 -0.164 -13.888 -13.190 405 H ARG 52 H ARG 52 1.807 -7.079 -10.211 406 HA ARG 52 HA ARG 52 4.667 -7.577 -9.848 407 HB2 ARG 52 2HB ARG 52 3.524 -5.109 -8.725 408 HB3 ARG 52 1HB ARG 52 4.966 -5.348 -9.695 409 HG2 ARG 52 2HG ARG 52 3.594 -5.469 -11.716 410 HG3 ARG 52 1HG ARG 52 2.151 -5.198 -10.739 411 HD2 ARG 52 2HD ARG 52 2.456 -3.012 -10.961 412 HD3 ARG 52 1HD ARG 52 3.964 -3.157 -10.062 413 HE ARG 52 HE ARG 52 3.652 -2.893 -12.930 414 HH11 ARG 52 1HH1 ARG 52 5.796 -3.679 -10.285 415 HH12 ARG 52 2HH1 ARG 52 7.234 -3.408 -11.209 416 HH21 ARG 52 1HH2 ARG 52 5.547 -2.536 -14.141 417 HH22 ARG 52 2HH2 ARG 52 7.094 -2.758 -13.395 418 H ASP 53 H ASP 53 2.416 -9.010 -8.522 419 HA ASP 53 HA ASP 53 1.866 -9.859 -6.510 420 HB2 ASP 53 2HB ASP 53 3.578 -10.256 -4.984 421 HB3 ASP 53 1HB ASP 53 4.449 -10.027 -6.490 422 H GLY 54 H GLY 54 1.066 -7.131 -7.202 423 HA2 GLY 54 2HA GLY 54 -0.063 -5.379 -6.247 424 HA3 GLY 54 1HA GLY 54 -0.305 -6.447 -4.877 425 H SER 55 H SER 55 2.941 -5.735 -5.758 426 HA SER 55 HA SER 55 3.415 -4.459 -3.238 427 HB2 SER 55 2HB SER 55 5.751 -4.373 -3.941 428 HB3 SER 55 1HB SER 55 5.082 -5.967 -4.289 429 HG SER 55 HG SER 55 4.675 -5.046 -6.468 430 H LEU 56 H LEU 56 2.157 -2.583 -3.320 431 HA LEU 56 HA LEU 56 2.273 -0.681 -5.387 432 HB2 LEU 56 2HB LEU 56 1.424 -0.587 -2.516 433 HB3 LEU 56 1HB LEU 56 1.444 0.870 -3.469 434 HG LEU 56 HG LEU 56 -0.254 -1.582 -3.854 435 HD11 LEU 56 1HD1 LEU 56 -2.029 0.254 -3.869 436 HD12 LEU 56 2HD1 LEU 56 -0.767 1.301 -3.218 437 HD13 LEU 56 3HD1 LEU 56 -1.263 -0.139 -2.329 438 HD21 LEU 56 3HD2 LEU 56 -1.136 0.013 -5.802 439 HD22 LEU 56 1HD2 LEU 56 0.094 -1.225 -6.063 440 HD23 LEU 56 2HD2 LEU 56 0.571 0.459 -5.831 441 H GLY 57 H GLY 57 4.522 -1.503 -2.961 442 HA2 GLY 57 2HA GLY 57 6.454 -0.517 -2.196 443 HA3 GLY 57 1HA GLY 57 6.607 0.028 -3.856 444 H TYR 58 H TYR 58 7.766 1.764 -2.658 445 HA TYR 58 HA TYR 58 6.330 3.598 -1.081 446 HB2 TYR 58 2HB TYR 58 8.200 5.158 -1.639 447 HB3 TYR 58 1HB TYR 58 8.677 3.662 -0.874 448 HD1 TYR 58 1HD TYR 58 9.873 1.939 -2.188 449 HD2 TYR 58 2HD TYR 58 8.827 5.704 -3.875 450 HE1 TYR 58 1HE TYR 58 11.445 1.541 -4.038 451 HE2 TYR 58 2HE TYR 58 10.395 5.314 -5.730 452 HH TYR 58 HH TYR 58 12.779 3.433 -5.761 453 H PHE 59 H PHE 59 4.679 4.728 -1.731 454 HA PHE 59 HA PHE 59 4.931 6.366 -4.116 455 HB2 PHE 59 2HB PHE 59 2.604 4.538 -3.575 456 HB3 PHE 59 1HB PHE 59 2.501 5.922 -4.635 457 HD1 PHE 59 1HD PHE 59 5.403 5.516 -5.735 458 HD2 PHE 59 2HD PHE 59 2.020 2.969 -5.297 459 HE1 PHE 59 1HE PHE 59 6.193 4.149 -7.619 460 HE2 PHE 59 2HE PHE 59 2.809 1.596 -7.180 461 HZ PHE 59 HZ PHE 59 4.896 2.185 -8.343 462 H GLY 60 H GLY 60 3.758 8.259 -3.992 463 HA2 GLY 60 2HA GLY 60 2.766 8.862 -1.281 464 HA3 GLY 60 1HA GLY 60 3.567 10.027 -2.320 465 H ARG 61 H ARG 61 1.458 11.152 -1.559 466 HA ARG 61 HA ARG 61 -0.960 10.351 -2.842 467 HB2 ARG 61 2HB ARG 61 -1.882 12.422 -1.961 468 HB3 ARG 61 1HB ARG 61 -0.953 11.600 -0.715 469 HG2 ARG 61 2HG ARG 61 0.249 13.425 -0.397 470 HG3 ARG 61 1HG ARG 61 0.801 13.360 -2.072 471 HD2 ARG 61 2HD ARG 61 -1.094 14.662 -2.795 472 HD3 ARG 61 1HD ARG 61 -1.790 14.617 -1.175 473 HE ARG 61 HE ARG 61 0.630 15.772 -0.789 474 HH11 ARG 61 1HH1 ARG 61 -2.033 16.445 -2.943 475 HH12 ARG 61 2HH1 ARG 61 -1.721 18.148 -2.999 476 HH21 ARG 61 1HH2 ARG 61 1.042 18.011 -0.861 477 HH22 ARG 61 2HH2 ARG 61 0.025 19.037 -1.816 478 H GLY 62 H GLY 62 -2.069 11.560 -4.470 479 HA2 GLY 62 2HA GLY 62 -1.495 13.674 -5.908 480 HA3 GLY 62 1HA GLY 62 -0.193 12.626 -6.436 481 H LYS 63 H LYS 63 -1.685 10.188 -6.367 482 HA LYS 63 HA LYS 63 -3.835 10.599 -8.302 483 HB2 LYS 63 2HB LYS 63 -1.308 9.046 -8.813 484 HB3 LYS 63 1HB LYS 63 -2.795 8.694 -9.683 485 HG2 LYS 63 2HG LYS 63 -2.075 11.526 -9.674 486 HG3 LYS 63 1HG LYS 63 -0.889 10.482 -10.461 487 HD2 LYS 63 2HD LYS 63 -3.664 9.871 -11.164 488 HD3 LYS 63 1HD LYS 63 -3.145 11.490 -11.640 489 HE2 LYS 63 2HE LYS 63 -1.007 10.006 -12.407 490 HE3 LYS 63 1HE LYS 63 -2.322 8.859 -12.659 491 HZ1 LYS 63 3HZ LYS 63 -1.958 11.523 -13.893 492 HZ2 LYS 63 1HZ LYS 63 -3.452 10.730 -13.905 493 HZ3 LYS 63 2HZ LYS 63 -2.113 10.024 -14.660 494 H MET 64 H MET 64 -3.534 9.622 -5.485 495 HA MET 64 HA MET 64 -4.621 6.907 -5.844 496 HB2 MET 64 2HB MET 64 -3.647 7.928 -3.203 497 HB3 MET 64 1HB MET 64 -3.762 6.272 -3.776 498 HG2 MET 64 2HG MET 64 -1.912 6.799 -5.380 499 HG3 MET 64 1HG MET 64 -1.725 8.342 -4.549 500 HE1 MET 64 3HE MET 64 -0.854 4.603 -4.612 501 HE2 MET 64 1HE MET 64 -2.275 4.558 -3.569 502 HE3 MET 64 2HE MET 64 -0.684 4.178 -2.909 503 H VAL 65 H VAL 65 -6.316 6.280 -4.267 504 HA VAL 65 HA VAL 65 -8.321 8.339 -4.153 505 HB VAL 65 HB VAL 65 -9.835 6.631 -3.368 506 HG11 VAL 65 1HG1 VAL 65 -9.712 6.470 -5.657 507 HG12 VAL 65 2HG1 VAL 65 -9.287 4.827 -5.178 508 HG13 VAL 65 3HG1 VAL 65 -8.022 5.967 -5.641 509 HG21 VAL 65 3HG2 VAL 65 -7.623 5.513 -2.152 510 HG22 VAL 65 1HG2 VAL 65 -8.011 4.367 -3.433 511 HG23 VAL 65 2HG2 VAL 65 -9.232 4.802 -2.237 512 H LYS 66 H LYS 66 -9.313 9.177 -2.323 513 HA LYS 66 HA LYS 66 -7.662 9.841 -0.188 514 HB2 LYS 66 2HB LYS 66 -10.359 10.381 -1.021 515 HB3 LYS 66 1HB LYS 66 -10.313 10.121 0.718 516 HG2 LYS 66 2HG LYS 66 -9.929 12.364 0.630 517 HG3 LYS 66 1HG LYS 66 -8.269 11.764 0.584 518 HD2 LYS 66 2HD LYS 66 -9.571 12.013 -2.040 519 HD3 LYS 66 1HD LYS 66 -9.317 13.536 -1.189 520 HE2 LYS 66 2HE LYS 66 -6.969 13.122 -1.008 521 HE3 LYS 66 1HE LYS 66 -7.159 11.479 -1.619 522 HZ1 LYS 66 3HZ LYS 66 -8.183 12.805 -3.644 523 HZ2 LYS 66 1HZ LYS 66 -6.522 12.504 -3.518 524 HZ3 LYS 66 2HZ LYS 66 -7.146 14.011 -3.069 525 HA PRO 67 HA PRO 67 -10.117 6.597 2.475 526 HB2 PRO 67 2HB PRO 67 -10.883 4.376 1.033 527 HB3 PRO 67 1HB PRO 67 -11.961 5.667 1.528 528 HG2 PRO 67 2HG PRO 67 -10.740 5.115 -1.107 529 HG3 PRO 67 1HG PRO 67 -12.282 5.892 -0.722 530 HD2 PRO 67 2HD PRO 67 -10.045 7.231 -1.549 531 HD3 PRO 67 1HD PRO 67 -11.333 7.956 -0.588 532 H PHE 68 H PHE 68 -8.468 5.318 -0.379 533 HA PHE 68 HA PHE 68 -7.097 3.272 1.093 534 HB2 PHE 68 2HB PHE 68 -7.680 3.268 -1.411 535 HB3 PHE 68 1HB PHE 68 -6.264 4.295 -1.612 536 HD1 PHE 68 1HD PHE 68 -4.019 3.418 -0.971 537 HD2 PHE 68 2HD PHE 68 -7.477 0.942 -1.128 538 HE1 PHE 68 1HE PHE 68 -2.582 1.423 -1.057 539 HE2 PHE 68 2HE PHE 68 -6.047 -1.058 -1.213 540 HZ PHE 68 HZ PHE 68 -3.595 -0.819 -1.178 541 H GLU 69 H GLU 69 -6.104 6.355 -0.373 542 HA GLU 69 HA GLU 69 -3.418 6.273 0.403 543 HB2 GLU 69 2HB GLU 69 -4.700 7.894 -1.187 544 HB3 GLU 69 1HB GLU 69 -4.957 8.842 0.272 545 HG2 GLU 69 2HG GLU 69 -2.251 8.271 0.315 546 HG3 GLU 69 1HG GLU 69 -2.601 8.577 -1.387 547 H ASP 70 H ASP 70 -6.306 7.210 2.129 548 HA ASP 70 HA ASP 70 -5.085 8.564 4.278 549 HB2 ASP 70 2HB ASP 70 -7.741 7.346 3.754 550 HB3 ASP 70 1HB ASP 70 -7.313 7.622 5.439 551 H ALA 71 H ALA 71 -6.074 5.170 3.902 552 HA ALA 71 HA ALA 71 -5.141 4.409 6.496 553 HB1 ALA 71 1HB ALA 71 -6.283 3.007 4.145 554 HB2 ALA 71 2HB ALA 71 -6.781 2.977 5.836 555 HB3 ALA 71 3HB ALA 71 -5.374 2.051 5.316 556 H ALA 72 H ALA 72 -3.615 4.854 3.460 557 HA ALA 72 HA ALA 72 -1.589 2.971 3.468 558 HB1 ALA 72 1HB ALA 72 -0.434 4.353 1.952 559 HB2 ALA 72 2HB ALA 72 -1.166 5.817 2.607 560 HB3 ALA 72 3HB ALA 72 -2.147 4.681 1.682 561 H PHE 73 H PHE 73 -1.474 6.243 4.883 562 HA PHE 73 HA PHE 73 1.033 5.611 6.203 563 HB2 PHE 73 2HB PHE 73 0.614 8.026 7.144 564 HB3 PHE 73 1HB PHE 73 1.146 7.794 5.485 565 HD1 PHE 73 1HD PHE 73 -2.033 8.023 7.430 566 HD2 PHE 73 2HD PHE 73 0.062 8.970 3.849 567 HE1 PHE 73 1HE PHE 73 -3.978 9.303 6.634 568 HE2 PHE 73 2HE PHE 73 -1.878 10.253 3.048 569 HZ PHE 73 HZ PHE 73 -3.902 10.420 4.440 570 H ARG 74 H ARG 74 -1.736 4.450 6.961 571 HA ARG 74 HA ARG 74 -1.801 5.308 9.760 572 HB2 ARG 74 2HB ARG 74 -3.865 4.972 8.070 573 HB3 ARG 74 1HB ARG 74 -3.775 3.345 8.729 574 HG2 ARG 74 2HG ARG 74 -4.500 3.980 10.771 575 HG3 ARG 74 1HG ARG 74 -3.706 5.555 10.685 576 HD2 ARG 74 2HD ARG 74 -5.430 6.413 9.259 577 HD3 ARG 74 1HD ARG 74 -6.160 4.816 9.100 578 HE ARG 74 HE ARG 74 -6.232 5.285 11.770 579 HH11 ARG 74 1HH1 ARG 74 -7.325 7.077 8.981 580 HH12 ARG 74 2HH1 ARG 74 -8.638 7.828 9.823 581 HH21 ARG 74 1HH2 ARG 74 -7.958 6.274 12.878 582 HH22 ARG 74 2HH2 ARG 74 -8.997 7.372 12.036 583 H LEU 75 H LEU 75 -1.159 2.563 7.695 584 HA LEU 75 HA LEU 75 -0.668 0.888 10.054 585 HB2 LEU 75 2HB LEU 75 -1.039 0.186 7.154 586 HB3 LEU 75 1HB LEU 75 -0.555 -0.976 8.363 587 HG LEU 75 HG LEU 75 -3.212 0.190 7.830 588 HD11 LEU 75 1HD1 LEU 75 -3.729 -2.105 8.910 589 HD12 LEU 75 2HD1 LEU 75 -2.003 -2.397 8.680 590 HD13 LEU 75 3HD1 LEU 75 -3.033 -2.037 7.291 591 HD21 LEU 75 3HD2 LEU 75 -2.708 1.114 10.071 592 HD22 LEU 75 1HD2 LEU 75 -2.373 -0.521 10.643 593 HD23 LEU 75 2HD2 LEU 75 -3.996 -0.089 10.103 594 H GLN 76 H GLN 76 1.286 2.303 10.325 595 HA GLN 76 HA GLN 76 3.488 1.869 8.521 596 HB2 GLN 76 2HB GLN 76 3.084 3.320 11.102 597 HB3 GLN 76 1HB GLN 76 4.724 2.910 10.618 598 HG2 GLN 76 2HG GLN 76 3.788 3.993 8.328 599 HG3 GLN 76 1HG GLN 76 2.868 4.904 9.524 600 HE21 GLN 76 1HE2 GLN 76 4.854 5.945 7.775 601 HE22 GLN 76 2HE2 GLN 76 6.138 6.558 8.753 602 H VAL 77 H VAL 77 2.067 0.207 11.105 603 HA VAL 77 HA VAL 77 4.333 -1.112 12.194 604 HB VAL 77 HB VAL 77 2.393 -1.100 13.548 605 HG11 VAL 77 1HG1 VAL 77 0.538 -0.725 12.287 606 HG12 VAL 77 2HG1 VAL 77 0.328 -2.452 12.580 607 HG13 VAL 77 3HG1 VAL 77 1.006 -1.893 11.050 608 HG21 VAL 77 3HG2 VAL 77 2.002 -3.893 12.705 609 HG22 VAL 77 1HG2 VAL 77 2.455 -3.230 14.278 610 HG23 VAL 77 2HG2 VAL 77 3.677 -3.432 13.023 611 H GLY 78 H GLY 78 2.349 -1.642 9.387 612 HA2 GLY 78 2HA GLY 78 3.078 -2.983 7.555 613 HA3 GLY 78 1HA GLY 78 4.044 -3.917 8.677 614 H GLU 79 H GLU 79 0.646 -3.030 8.332 615 HA GLU 79 HA GLU 79 -0.052 -5.872 8.477 616 HB2 GLU 79 2HB GLU 79 -0.105 -4.527 10.710 617 HB3 GLU 79 1HB GLU 79 -1.586 -3.864 10.066 618 HG2 GLU 79 2HG GLU 79 -1.604 -6.710 9.806 619 HG3 GLU 79 1HG GLU 79 -1.218 -6.259 11.468 620 H VAL 80 H VAL 80 -2.569 -6.029 8.222 621 HA VAL 80 HA VAL 80 -3.178 -4.598 5.790 622 HB VAL 80 HB VAL 80 -4.848 -6.668 7.226 623 HG11 VAL 80 1HG1 VAL 80 -5.647 -6.852 4.700 624 HG12 VAL 80 2HG1 VAL 80 -5.160 -5.157 4.694 625 HG13 VAL 80 3HG1 VAL 80 -6.382 -5.720 5.836 626 HG21 VAL 80 3HG2 VAL 80 -4.004 -8.241 5.532 627 HG22 VAL 80 1HG2 VAL 80 -2.712 -7.614 6.556 628 HG23 VAL 80 2HG2 VAL 80 -2.925 -6.986 4.920 629 H SER 81 H SER 81 -5.024 -3.247 5.501 630 HA SER 81 HA SER 81 -5.935 -2.049 8.024 631 HB2 SER 81 2HB SER 81 -4.769 -0.746 6.053 632 HB3 SER 81 1HB SER 81 -6.392 -0.754 5.367 633 HG SER 81 HG SER 81 -5.434 0.867 7.205 634 H GLU 82 H GLU 82 -8.142 -1.163 8.046 635 HA GLU 82 HA GLU 82 -10.058 -3.104 7.821 636 HB2 GLU 82 2HB GLU 82 -10.269 -0.107 7.895 637 HB3 GLU 82 1HB GLU 82 -11.701 -1.124 7.847 638 HG2 GLU 82 2HG GLU 82 -11.340 -1.971 9.952 639 HG3 GLU 82 1HG GLU 82 -9.610 -1.640 9.903 640 HA PRO 83 HA PRO 83 -11.489 -3.559 3.709 641 HB2 PRO 83 2HB PRO 83 -14.223 -3.277 4.048 642 HB3 PRO 83 1HB PRO 83 -13.319 -4.767 4.323 643 HG2 PRO 83 2HG PRO 83 -14.243 -2.717 6.291 644 HG3 PRO 83 1HG PRO 83 -14.217 -4.484 6.440 645 HD2 PRO 83 2HD PRO 83 -12.367 -2.965 7.637 646 HD3 PRO 83 1HD PRO 83 -11.944 -4.535 6.920 647 H VAL 84 H VAL 84 -10.805 -1.818 2.558 648 HA VAL 84 HA VAL 84 -12.354 0.671 2.732 649 HB VAL 84 HB VAL 84 -9.725 0.156 1.330 650 HG11 VAL 84 1HG1 VAL 84 -9.617 2.646 1.257 651 HG12 VAL 84 2HG1 VAL 84 -11.295 2.684 1.804 652 HG13 VAL 84 3HG1 VAL 84 -10.888 1.944 0.254 653 HG21 VAL 84 3HG2 VAL 84 -9.146 0.044 3.559 654 HG22 VAL 84 1HG2 VAL 84 -10.401 1.180 4.052 655 HG23 VAL 84 2HG2 VAL 84 -8.957 1.765 3.223 656 H LYS 85 H LYS 85 -14.073 0.596 1.421 657 HA LYS 85 HA LYS 85 -13.801 -0.611 -1.232 658 HB2 LYS 85 2HB LYS 85 -15.711 -1.226 0.301 659 HB3 LYS 85 1HB LYS 85 -16.317 0.410 0.085 660 HG2 LYS 85 2HG LYS 85 -15.782 -1.365 -2.267 661 HG3 LYS 85 1HG LYS 85 -17.297 -1.458 -1.369 662 HD2 LYS 85 2HD LYS 85 -17.399 1.096 -1.717 663 HD3 LYS 85 1HD LYS 85 -16.185 0.823 -2.970 664 HE2 LYS 85 2HE LYS 85 -17.646 -0.275 -4.335 665 HE3 LYS 85 1HE LYS 85 -18.603 -0.900 -2.994 666 HZ1 LYS 85 3HZ LYS 85 -18.649 1.857 -4.093 667 HZ2 LYS 85 1HZ LYS 85 -19.443 1.398 -2.671 668 HZ3 LYS 85 2HZ LYS 85 -19.893 0.713 -4.151 669 H SER 86 H SER 86 -13.184 0.710 -2.799 670 HA SER 86 HA SER 86 -14.104 3.508 -2.727 671 HB2 SER 86 2HB SER 86 -11.733 2.354 -4.218 672 HB3 SER 86 1HB SER 86 -12.174 4.058 -4.115 673 HG SER 86 HG SER 86 -10.793 2.519 -2.354 674 H GLU 87 H GLU 87 -13.775 4.291 -5.281 675 HA GLU 87 HA GLU 87 -16.066 3.364 -6.575 676 HB2 GLU 87 2HB GLU 87 -15.085 4.523 -8.605 677 HB3 GLU 87 1HB GLU 87 -15.260 5.513 -7.162 678 HG2 GLU 87 2HG GLU 87 -12.704 4.414 -6.988 679 HG3 GLU 87 1HG GLU 87 -12.902 4.876 -8.678 680 H PHE 88 H PHE 88 -12.900 2.036 -6.469 681 HA PHE 88 HA PHE 88 -13.239 0.468 -8.887 682 HB2 PHE 88 2HB PHE 88 -11.031 1.001 -6.973 683 HB3 PHE 88 1HB PHE 88 -10.998 -0.542 -7.817 684 HD1 PHE 88 1HD PHE 88 -10.993 3.115 -8.267 685 HD2 PHE 88 2HD PHE 88 -10.411 -0.679 -10.104 686 HE1 PHE 88 1HE PHE 88 -10.011 4.222 -10.233 687 HE2 PHE 88 2HE PHE 88 -9.428 0.421 -12.072 688 HZ PHE 88 HZ PHE 88 -9.226 2.875 -12.139 689 H GLY 89 H GLY 89 -13.489 0.067 -5.412 690 HA2 GLY 89 2HA GLY 89 -15.198 -1.898 -5.102 691 HA3 GLY 89 1HA GLY 89 -13.850 -2.827 -5.732 692 H TYR 90 H TYR 90 -14.287 -3.901 -3.605 693 HA TYR 90 HA TYR 90 -13.491 -2.570 -1.209 694 HB2 TYR 90 2HB TYR 90 -14.629 -5.101 -2.005 695 HB3 TYR 90 1HB TYR 90 -13.334 -5.355 -0.853 696 HD1 TYR 90 1HD TYR 90 -16.394 -3.296 -1.368 697 HD2 TYR 90 2HD TYR 90 -13.800 -5.177 1.429 698 HE1 TYR 90 1HE TYR 90 -17.942 -2.711 0.451 699 HE2 TYR 90 2HE TYR 90 -15.342 -4.602 3.255 700 HH TYR 90 HH TYR 90 -17.722 -2.345 3.009 701 H HIS 91 H HIS 91 -11.432 -1.811 -1.312 702 HA HIS 91 HA HIS 91 -9.290 -3.498 -2.296 703 HB2 HIS 91 2HB HIS 91 -9.608 -0.630 -1.614 704 HB3 HIS 91 1HB HIS 91 -7.999 -1.310 -1.438 705 HD1 HIS 91 1HD HIS 91 -10.241 0.106 -3.905 706 HD2 HIS 91 2HD HIS 91 -7.035 -2.537 -3.934 707 HE1 HIS 91 1HE HIS 91 -9.461 0.022 -6.294 708 HE2 HIS 91 2HE HIS 91 -7.469 -1.520 -6.273 709 H VAL 92 H VAL 92 -7.211 -3.458 -1.054 710 HA VAL 92 HA VAL 92 -7.551 -3.631 1.848 711 HB VAL 92 HB VAL 92 -6.190 -5.804 0.249 712 HG11 VAL 92 1HG1 VAL 92 -6.209 -7.012 2.395 713 HG12 VAL 92 2HG1 VAL 92 -6.893 -5.584 3.171 714 HG13 VAL 92 3HG1 VAL 92 -5.276 -5.517 2.471 715 HG21 VAL 92 3HG2 VAL 92 -8.069 -7.220 0.661 716 HG22 VAL 92 1HG2 VAL 92 -8.669 -5.735 -0.081 717 HG23 VAL 92 2HG2 VAL 92 -8.847 -5.988 1.656 718 H ILE 93 H ILE 93 -5.791 -2.836 2.936 719 HA ILE 93 HA ILE 93 -3.430 -2.185 1.288 720 HB ILE 93 HB ILE 93 -3.952 -0.618 3.751 721 HG12 ILE 93 2HG1 ILE 93 -5.661 -0.523 1.283 722 HG13 ILE 93 1HG1 ILE 93 -6.161 -0.486 2.965 723 HG21 ILE 93 1HG2 ILE 93 -1.967 -0.213 2.424 724 HG22 ILE 93 2HG2 ILE 93 -3.038 1.187 2.348 725 HG23 ILE 93 3HG2 ILE 93 -2.953 0.066 0.988 726 HD11 ILE 93 3HD1 ILE 93 -4.978 1.731 1.331 727 HD12 ILE 93 1HD1 ILE 93 -5.061 1.793 3.092 728 HD13 ILE 93 2HD1 ILE 93 -6.543 1.671 2.144 729 H LYS 94 H LYS 94 -1.613 -3.152 1.839 730 HA LYS 94 HA LYS 94 -1.158 -3.819 4.667 731 HB2 LYS 94 2HB LYS 94 -1.678 -5.740 2.840 732 HB3 LYS 94 1HB LYS 94 0.064 -5.607 2.645 733 HG2 LYS 94 2HG LYS 94 -1.241 -5.997 5.322 734 HG3 LYS 94 1HG LYS 94 -0.761 -7.340 4.283 735 HD2 LYS 94 2HD LYS 94 1.439 -5.566 4.430 736 HD3 LYS 94 1HD LYS 94 0.840 -5.792 6.073 737 HE2 LYS 94 2HE LYS 94 1.360 -8.089 4.203 738 HE3 LYS 94 1HE LYS 94 2.603 -7.431 5.266 739 HZ1 LYS 94 3HZ LYS 94 0.064 -8.093 6.518 740 HZ2 LYS 94 1HZ LYS 94 1.644 -8.315 7.084 741 HZ3 LYS 94 2HZ LYS 94 0.982 -9.405 5.972 742 H ARG 95 H ARG 95 0.394 -2.448 5.267 743 HA ARG 95 HA ARG 95 2.229 -1.193 3.597 744 HB2 ARG 95 2HB ARG 95 1.689 -0.279 5.759 745 HB3 ARG 95 1HB ARG 95 2.343 -1.694 6.567 746 HG2 ARG 95 2HG ARG 95 4.148 -0.138 4.796 747 HG3 ARG 95 1HG ARG 95 3.710 0.550 6.360 748 HD2 ARG 95 2HD ARG 95 4.914 -0.970 7.512 749 HD3 ARG 95 1HD ARG 95 4.511 -2.281 6.404 750 HE ARG 95 HE ARG 95 6.220 -0.621 5.022 751 HH11 ARG 95 1HH1 ARG 95 6.346 -2.504 7.957 752 HH12 ARG 95 2HH1 ARG 95 8.050 -2.793 7.847 753 HH21 ARG 95 1HH2 ARG 95 8.460 -1.002 4.872 754 HH22 ARG 95 2HH2 ARG 95 9.250 -1.941 6.095 755 H LEU 96 H LEU 96 4.134 -1.684 2.800 756 HA LEU 96 HA LEU 96 5.872 -3.646 3.900 757 HB2 LEU 96 2HB LEU 96 5.588 -5.340 2.450 758 HB3 LEU 96 1HB LEU 96 3.975 -4.691 2.308 759 HG LEU 96 HG LEU 96 4.963 -3.329 0.320 760 HD11 LEU 96 1HD1 LEU 96 7.221 -3.664 0.280 761 HD12 LEU 96 2HD1 LEU 96 6.710 -4.973 -0.788 762 HD13 LEU 96 3HD1 LEU 96 7.097 -5.311 0.899 763 HD21 LEU 96 3HD2 LEU 96 4.871 -6.035 -0.657 764 HD22 LEU 96 1HD2 LEU 96 3.726 -4.713 -0.886 765 HD23 LEU 96 2HD2 LEU 96 3.602 -5.749 0.536 766 H GLY 97 H GLY 97 7.763 -2.634 3.721 767 HA2 GLY 97 2HA GLY 97 8.660 -1.652 1.158 768 HA3 GLY 97 1HA GLY 97 8.445 -0.410 2.374 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 13.087 19.359 9.769 2 H2 GLY 1 2HT GLY 1 12.350 19.005 11.251 3 H3 GLY 1 3HT GLY 1 12.384 17.841 10.024 4 HA2 GLY 1 1HA GLY 1 14.698 18.881 11.561 5 HA3 GLY 1 2HA GLY 1 14.021 17.262 11.650 6 HA PRO 2 HA PRO 2 16.973 15.737 8.761 7 HB2 PRO 2 2HB PRO 2 14.659 14.452 7.387 8 HB3 PRO 2 1HB PRO 2 16.171 13.735 7.957 9 HG2 PRO 2 2HG PRO 2 13.903 13.364 9.301 10 HG3 PRO 2 1HG PRO 2 15.438 13.614 10.156 11 HD2 PRO 2 2HD PRO 2 13.168 15.506 9.738 12 HD3 PRO 2 1HD PRO 2 14.246 15.324 11.138 13 H MET 3 H MET 3 17.545 15.779 6.474 14 HA MET 3 HA MET 3 15.906 17.530 4.799 15 HB2 MET 3 2HB MET 3 18.135 18.480 6.160 16 HB3 MET 3 1HB MET 3 18.740 18.153 4.541 17 HG2 MET 3 2HG MET 3 17.433 19.755 3.575 18 HG3 MET 3 1HG MET 3 16.189 19.646 4.819 19 HE1 MET 3 3HE MET 3 16.399 22.763 4.765 20 HE2 MET 3 1HE MET 3 17.263 22.061 3.397 21 HE3 MET 3 2HE MET 3 18.062 23.245 4.432 22 H GLY 4 H GLY 4 15.533 16.379 3.024 23 HA2 GLY 4 2HA GLY 4 16.403 15.602 0.911 24 HA3 GLY 4 1HA GLY 4 17.813 14.997 1.768 25 H SER 5 H SER 5 14.415 14.582 2.657 26 HA SER 5 HA SER 5 14.737 11.803 3.111 27 HB2 SER 5 2HB SER 5 12.490 13.742 3.192 28 HB3 SER 5 1HB SER 5 12.060 12.042 3.000 29 HG SER 5 HG SER 5 12.180 12.355 5.160 30 H MET 6 H MET 6 14.482 10.102 1.801 31 HA MET 6 HA MET 6 13.525 10.620 -0.933 32 HB2 MET 6 2HB MET 6 15.897 9.412 -0.004 33 HB3 MET 6 1HB MET 6 14.924 8.117 -0.687 34 HG2 MET 6 2HG MET 6 15.150 8.874 -2.790 35 HG3 MET 6 1HG MET 6 15.084 10.567 -2.304 36 HE1 MET 6 3HE MET 6 17.879 8.608 -4.283 37 HE2 MET 6 1HE MET 6 18.159 10.347 -4.392 38 HE3 MET 6 2HE MET 6 16.519 9.709 -4.504 39 H ALA 7 H ALA 7 12.997 8.782 1.941 40 HA ALA 7 HA ALA 7 11.204 6.924 0.572 41 HB1 ALA 7 1HB ALA 7 11.231 5.606 2.510 42 HB2 ALA 7 2HB ALA 7 11.793 6.941 3.515 43 HB3 ALA 7 3HB ALA 7 12.885 6.200 2.346 44 H ASP 8 H ASP 8 10.586 9.801 0.871 45 HA ASP 8 HA ASP 8 8.732 10.319 2.879 46 HB2 ASP 8 2HB ASP 8 9.617 12.064 1.410 47 HB3 ASP 8 1HB ASP 8 8.771 11.360 0.036 48 H LYS 9 H LYS 9 8.466 8.327 0.076 49 HA LYS 9 HA LYS 9 5.600 8.255 0.024 50 HB2 LYS 9 2HB LYS 9 7.812 6.875 -1.441 51 HB3 LYS 9 1HB LYS 9 6.158 6.318 -1.590 52 HG2 LYS 9 2HG LYS 9 6.837 7.797 -3.412 53 HG3 LYS 9 1HG LYS 9 5.481 8.449 -2.497 54 HD2 LYS 9 2HD LYS 9 8.225 9.233 -1.682 55 HD3 LYS 9 1HD LYS 9 7.574 9.928 -3.169 56 HE2 LYS 9 2HE LYS 9 5.541 10.058 -1.211 57 HE3 LYS 9 1HE LYS 9 7.027 10.637 -0.470 58 HZ1 LYS 9 3HZ LYS 9 5.439 12.199 -1.879 59 HZ2 LYS 9 1HZ LYS 9 6.423 11.637 -3.137 60 HZ3 LYS 9 2HZ LYS 9 7.113 12.435 -1.813 61 H ILE 10 H ILE 10 4.488 6.145 0.095 62 HA ILE 10 HA ILE 10 5.550 4.509 2.295 63 HB ILE 10 HB ILE 10 2.695 4.192 1.684 64 HG12 ILE 10 2HG1 ILE 10 3.597 6.740 3.032 65 HG13 ILE 10 1HG1 ILE 10 3.047 6.656 1.361 66 HG21 ILE 10 1HG2 ILE 10 4.339 3.474 3.702 67 HG22 ILE 10 2HG2 ILE 10 2.585 3.594 3.849 68 HG23 ILE 10 3HG2 ILE 10 3.609 4.928 4.381 69 HD11 ILE 10 3HD1 ILE 10 0.899 5.699 2.231 70 HD12 ILE 10 1HD1 ILE 10 1.213 7.381 2.661 71 HD13 ILE 10 2HD1 ILE 10 1.468 6.104 3.850 72 H LYS 11 H LYS 11 5.674 2.380 2.034 73 HA LYS 11 HA LYS 11 5.151 1.379 -0.671 74 HB2 LYS 11 2HB LYS 11 6.977 0.103 1.354 75 HB3 LYS 11 1HB LYS 11 6.961 -0.106 -0.394 76 HG2 LYS 11 2HG LYS 11 8.374 1.582 -0.691 77 HG3 LYS 11 1HG LYS 11 7.389 2.686 0.287 78 HD2 LYS 11 2HD LYS 11 9.164 2.645 1.673 79 HD3 LYS 11 1HD LYS 11 8.497 1.100 2.204 80 HE2 LYS 11 2HE LYS 11 10.229 -0.035 1.373 81 HE3 LYS 11 1HE LYS 11 10.138 0.815 -0.170 82 HZ1 LYS 11 3HZ LYS 11 11.297 2.700 0.969 83 HZ2 LYS 11 1HZ LYS 11 12.232 1.303 0.773 84 HZ3 LYS 11 2HZ LYS 11 11.565 1.670 2.284 85 H CYS 12 H CYS 12 3.118 0.635 -0.600 86 HA CYS 12 HA CYS 12 2.538 -1.504 1.337 87 HB2 CYS 12 2HB CYS 12 1.369 0.831 1.578 88 HB3 CYS 12 1HB CYS 12 0.375 0.266 0.243 89 HG CYS 12 HG CYS 12 -0.713 -1.422 1.760 90 H SER 13 H SER 13 0.376 -2.646 0.487 91 HA SER 13 HA SER 13 0.774 -3.272 -2.361 92 HB2 SER 13 2HB SER 13 1.536 -5.201 -1.239 93 HB3 SER 13 1HB SER 13 0.276 -5.093 -0.010 94 HG SER 13 HG SER 13 -0.788 -6.419 -1.231 95 H HIS 14 H HIS 14 -1.223 -4.199 -3.407 96 HA HIS 14 HA HIS 14 -3.676 -3.190 -2.135 97 HB2 HIS 14 2HB HIS 14 -4.447 -2.196 -4.171 98 HB3 HIS 14 1HB HIS 14 -2.828 -1.588 -3.859 99 HD1 HIS 14 1HD HIS 14 -2.020 -4.719 -5.085 100 HD2 HIS 14 2HD HIS 14 -3.651 -1.348 -6.883 101 HE1 HIS 14 1HE HIS 14 -1.550 -4.973 -7.541 102 HE2 HIS 14 2HE HIS 14 -2.631 -2.971 -8.618 103 H ILE 15 H ILE 15 -5.609 -4.211 -2.666 104 HA ILE 15 HA ILE 15 -5.619 -6.481 -4.447 105 HB ILE 15 HB ILE 15 -5.827 -6.841 -1.458 106 HG12 ILE 15 2HG1 ILE 15 -4.328 -8.883 -2.314 107 HG13 ILE 15 1HG1 ILE 15 -3.990 -7.756 -3.617 108 HG21 ILE 15 1HG2 ILE 15 -6.308 -9.322 -2.387 109 HG22 ILE 15 2HG2 ILE 15 -7.138 -8.365 -3.613 110 HG23 ILE 15 3HG2 ILE 15 -7.575 -8.190 -1.914 111 HD11 ILE 15 3HD1 ILE 15 -3.651 -6.195 -1.406 112 HD12 ILE 15 1HD1 ILE 15 -2.367 -7.021 -2.289 113 HD13 ILE 15 2HD1 ILE 15 -3.071 -7.768 -0.855 114 H LEU 16 H LEU 16 -7.612 -6.743 -5.322 115 HA LEU 16 HA LEU 16 -9.891 -5.476 -3.938 116 HB2 LEU 16 2HB LEU 16 -9.005 -5.288 -6.766 117 HB3 LEU 16 1HB LEU 16 -10.729 -5.362 -6.472 118 HG LEU 16 HG LEU 16 -10.033 -3.061 -6.665 119 HD11 LEU 16 1HD1 LEU 16 -11.361 -4.157 -4.410 120 HD12 LEU 16 2HD1 LEU 16 -11.582 -2.581 -5.169 121 HD13 LEU 16 3HD1 LEU 16 -10.404 -2.776 -3.874 122 HD21 LEU 16 3HD2 LEU 16 -8.182 -2.194 -5.748 123 HD22 LEU 16 1HD2 LEU 16 -7.689 -3.879 -5.571 124 HD23 LEU 16 2HD2 LEU 16 -8.430 -3.028 -4.215 125 H VAL 17 H VAL 17 -11.753 -6.575 -3.804 126 HA VAL 17 HA VAL 17 -12.204 -8.947 -5.416 127 HB VAL 17 HB VAL 17 -12.606 -10.421 -3.548 128 HG11 VAL 17 1HG1 VAL 17 -9.945 -9.275 -2.849 129 HG12 VAL 17 2HG1 VAL 17 -10.211 -9.868 -4.487 130 HG13 VAL 17 3HG1 VAL 17 -10.412 -10.952 -3.116 131 HG21 VAL 17 3HG2 VAL 17 -11.613 -9.388 -1.265 132 HG22 VAL 17 1HG2 VAL 17 -13.323 -9.343 -1.691 133 HG23 VAL 17 2HG2 VAL 17 -12.304 -7.933 -1.985 134 H LYS 18 H LYS 18 -14.357 -9.194 -5.863 135 HA LYS 18 HA LYS 18 -16.130 -7.120 -5.071 136 HB2 LYS 18 2HB LYS 18 -16.166 -9.362 -6.924 137 HB3 LYS 18 1HB LYS 18 -17.719 -9.155 -6.127 138 HG2 LYS 18 2HG LYS 18 -17.963 -7.825 -7.979 139 HG3 LYS 18 1HG LYS 18 -17.413 -6.655 -6.779 140 HD2 LYS 18 2HD LYS 18 -15.271 -6.546 -7.686 141 HD3 LYS 18 1HD LYS 18 -15.451 -8.083 -8.534 142 HE2 LYS 18 2HE LYS 18 -17.182 -5.741 -9.225 143 HE3 LYS 18 1HE LYS 18 -15.553 -5.878 -9.883 144 HZ1 LYS 18 3HZ LYS 18 -16.625 -7.014 -11.484 145 HZ2 LYS 18 1HZ LYS 18 -17.937 -7.420 -10.494 146 HZ3 LYS 18 2HZ LYS 18 -16.499 -8.307 -10.400 147 H LYS 19 H LYS 19 -15.693 -10.462 -4.029 148 HA LYS 19 HA LYS 19 -18.014 -10.482 -2.374 149 HB2 LYS 19 2HB LYS 19 -16.706 -12.492 -1.327 150 HB3 LYS 19 1HB LYS 19 -17.367 -12.611 -2.948 151 HG2 LYS 19 2HG LYS 19 -15.352 -12.710 -3.934 152 HG3 LYS 19 1HG LYS 19 -14.597 -11.640 -2.755 153 HD2 LYS 19 2HD LYS 19 -13.660 -13.470 -1.879 154 HD3 LYS 19 1HD LYS 19 -15.265 -13.892 -1.282 155 HE2 LYS 19 2HE LYS 19 -14.122 -14.706 -3.952 156 HE3 LYS 19 1HE LYS 19 -14.207 -15.735 -2.524 157 HZ1 LYS 19 3HZ LYS 19 -16.746 -14.967 -2.736 158 HZ2 LYS 19 1HZ LYS 19 -16.134 -16.368 -3.461 159 HZ3 LYS 19 2HZ LYS 19 -16.305 -14.951 -4.368 160 H GLN 20 H GLN 20 -17.690 -8.439 -1.404 161 HA GLN 20 HA GLN 20 -15.607 -7.486 0.028 162 HB2 GLN 20 2HB GLN 20 -17.297 -6.243 1.400 163 HB3 GLN 20 1HB GLN 20 -17.516 -6.115 -0.339 164 HG2 GLN 20 2HG GLN 20 -19.653 -6.552 0.176 165 HG3 GLN 20 1HG GLN 20 -19.095 -8.224 0.163 166 HE21 GLN 20 1HE2 GLN 20 -18.827 -5.558 2.491 167 HE22 GLN 20 2HE2 GLN 20 -19.486 -6.431 3.828 168 H GLY 21 H GLY 21 -17.658 -10.119 1.049 169 HA2 GLY 21 2HA GLY 21 -17.067 -9.900 3.818 170 HA3 GLY 21 1HA GLY 21 -17.616 -11.362 3.003 171 H GLU 22 H GLU 22 -15.411 -11.304 1.099 172 HA GLU 22 HA GLU 22 -13.509 -12.778 2.618 173 HB2 GLU 22 2HB GLU 22 -12.449 -13.207 0.574 174 HB3 GLU 22 1HB GLU 22 -14.150 -13.089 0.168 175 HG2 GLU 22 2HG GLU 22 -13.754 -11.475 -1.269 176 HG3 GLU 22 1HG GLU 22 -12.864 -10.539 -0.082 177 H ALA 23 H ALA 23 -13.657 -9.567 1.233 178 HA ALA 23 HA ALA 23 -11.074 -8.673 1.507 179 HB1 ALA 23 1HB ALA 23 -12.100 -6.869 0.702 180 HB2 ALA 23 2HB ALA 23 -12.690 -6.523 2.330 181 HB3 ALA 23 3HB ALA 23 -13.672 -7.479 1.217 182 H LEU 24 H LEU 24 -13.585 -8.973 3.973 183 HA LEU 24 HA LEU 24 -12.039 -7.765 6.057 184 HB2 LEU 24 2HB LEU 24 -14.681 -8.384 5.742 185 HB3 LEU 24 1HB LEU 24 -14.161 -9.640 6.848 186 HG LEU 24 HG LEU 24 -15.068 -7.728 8.058 187 HD11 LEU 24 1HD1 LEU 24 -12.223 -7.395 8.703 188 HD12 LEU 24 2HD1 LEU 24 -12.790 -9.066 8.652 189 HD13 LEU 24 3HD1 LEU 24 -13.572 -7.903 9.721 190 HD21 LEU 24 3HD2 LEU 24 -13.305 -6.257 6.239 191 HD22 LEU 24 1HD2 LEU 24 -13.238 -5.714 7.915 192 HD23 LEU 24 2HD2 LEU 24 -14.780 -5.743 7.059 193 H ALA 25 H ALA 25 -12.406 -10.993 4.792 194 HA ALA 25 HA ALA 25 -11.118 -12.241 7.062 195 HB1 ALA 25 1HB ALA 25 -12.734 -13.596 6.053 196 HB2 ALA 25 2HB ALA 25 -11.198 -14.275 5.515 197 HB3 ALA 25 3HB ALA 25 -12.138 -13.254 4.428 198 H VAL 26 H VAL 26 -10.223 -11.265 3.793 199 HA VAL 26 HA VAL 26 -7.786 -12.584 3.587 200 HB VAL 26 HB VAL 26 -7.226 -11.190 1.806 201 HG11 VAL 26 1HG1 VAL 26 -9.839 -12.139 2.018 202 HG12 VAL 26 2HG1 VAL 26 -8.962 -11.735 0.543 203 HG13 VAL 26 3HG1 VAL 26 -9.984 -10.527 1.319 204 HG21 VAL 26 3HG2 VAL 26 -8.476 -8.931 1.532 205 HG22 VAL 26 1HG2 VAL 26 -7.107 -9.037 2.642 206 HG23 VAL 26 2HG2 VAL 26 -8.755 -9.077 3.265 207 H GLN 27 H GLN 27 -8.613 -9.619 5.285 208 HA GLN 27 HA GLN 27 -6.005 -8.679 5.685 209 HB2 GLN 27 2HB GLN 27 -6.889 -7.209 7.289 210 HB3 GLN 27 1HB GLN 27 -8.220 -7.482 6.179 211 HG2 GLN 27 2HG GLN 27 -9.424 -8.694 7.708 212 HG3 GLN 27 1HG GLN 27 -8.007 -9.143 8.643 213 HE21 GLN 27 1HE2 GLN 27 -9.438 -6.083 7.554 214 HE22 GLN 27 2HE2 GLN 27 -9.442 -5.338 9.113 215 H GLU 28 H GLU 28 -8.019 -10.793 7.708 216 HA GLU 28 HA GLU 28 -5.927 -11.327 9.582 217 HB2 GLU 28 2HB GLU 28 -7.489 -12.553 10.743 218 HB3 GLU 28 1HB GLU 28 -8.555 -11.517 9.808 219 HG2 GLU 28 2HG GLU 28 -9.587 -13.435 9.315 220 HG3 GLU 28 1HG GLU 28 -8.306 -13.603 8.118 221 H ARG 29 H ARG 29 -6.985 -12.663 6.581 222 HA ARG 29 HA ARG 29 -5.661 -15.192 6.825 223 HB2 ARG 29 2HB ARG 29 -7.701 -14.517 5.375 224 HB3 ARG 29 1HB ARG 29 -6.500 -13.917 4.241 225 HG2 ARG 29 2HG ARG 29 -7.096 -16.083 3.539 226 HG3 ARG 29 1HG ARG 29 -5.484 -16.206 4.250 227 HD2 ARG 29 2HD ARG 29 -6.201 -17.472 5.982 228 HD3 ARG 29 1HD ARG 29 -7.748 -16.632 6.091 229 HE ARG 29 HE ARG 29 -7.480 -18.306 3.766 230 HH11 ARG 29 1HH1 ARG 29 -8.428 -18.183 7.123 231 HH12 ARG 29 2HH1 ARG 29 -9.478 -19.557 7.006 232 HH21 ARG 29 1HH2 ARG 29 -8.859 -20.111 3.610 233 HH22 ARG 29 2HH2 ARG 29 -9.723 -20.650 5.011 234 H LEU 30 H LEU 30 -4.884 -12.058 5.466 235 HA LEU 30 HA LEU 30 -2.753 -12.677 3.824 236 HB2 LEU 30 2HB LEU 30 -3.921 -10.430 4.292 237 HB3 LEU 30 1HB LEU 30 -2.767 -10.249 5.596 238 HG LEU 30 HG LEU 30 -1.993 -9.038 3.662 239 HD11 LEU 30 1HD1 LEU 30 -0.448 -10.555 5.139 240 HD12 LEU 30 2HD1 LEU 30 0.186 -9.728 3.714 241 HD13 LEU 30 3HD1 LEU 30 -0.235 -11.438 3.627 242 HD21 LEU 30 3HD2 LEU 30 -1.363 -11.144 1.849 243 HD22 LEU 30 1HD2 LEU 30 -2.392 -9.734 1.593 244 HD23 LEU 30 2HD2 LEU 30 -3.081 -11.227 2.233 245 H LYS 31 H LYS 31 -2.497 -11.640 7.238 246 HA LYS 31 HA LYS 31 0.260 -12.356 7.404 247 HB2 LYS 31 2HB LYS 31 -0.024 -11.934 9.837 248 HB3 LYS 31 1HB LYS 31 -0.570 -10.608 8.824 249 HG2 LYS 31 2HG LYS 31 -2.734 -12.424 9.354 250 HG3 LYS 31 1HG LYS 31 -1.984 -11.885 10.856 251 HD2 LYS 31 2HD LYS 31 -2.294 -9.680 9.027 252 HD3 LYS 31 1HD LYS 31 -3.835 -10.496 9.286 253 HE2 LYS 31 2HE LYS 31 -2.870 -10.375 11.821 254 HE3 LYS 31 1HE LYS 31 -2.206 -8.893 11.133 255 HZ1 LYS 31 3HZ LYS 31 -4.719 -8.768 10.263 256 HZ2 LYS 31 1HZ LYS 31 -4.201 -8.077 11.718 257 HZ3 LYS 31 2HZ LYS 31 -4.960 -9.588 11.723 258 H ALA 32 H ALA 32 -2.534 -14.208 7.418 259 HA ALA 32 HA ALA 32 -2.098 -16.116 9.382 260 HB1 ALA 32 1HB ALA 32 -4.129 -15.843 7.907 261 HB2 ALA 32 2HB ALA 32 -3.613 -17.503 8.207 262 HB3 ALA 32 3HB ALA 32 -3.240 -16.726 6.667 263 H GLY 33 H GLY 33 -0.401 -15.569 6.439 264 HA2 GLY 33 2HA GLY 33 1.846 -16.903 6.822 265 HA3 GLY 33 1HA GLY 33 0.763 -18.218 6.403 266 H GLU 34 H GLU 34 -0.672 -16.109 4.636 267 HA GLU 34 HA GLU 34 0.884 -16.733 2.268 268 HB2 GLU 34 2HB GLU 34 -1.037 -15.747 1.045 269 HB3 GLU 34 1HB GLU 34 -1.504 -17.052 2.125 270 HG2 GLU 34 2HG GLU 34 -2.316 -15.469 3.752 271 HG3 GLU 34 1HG GLU 34 -1.754 -14.123 2.763 272 H LYS 35 H LYS 35 1.425 -15.106 0.676 273 HA LYS 35 HA LYS 35 2.292 -12.623 1.966 274 HB2 LYS 35 2HB LYS 35 4.000 -14.031 0.848 275 HB3 LYS 35 1HB LYS 35 3.151 -13.814 -0.676 276 HG2 LYS 35 2HG LYS 35 4.594 -12.131 -0.974 277 HG3 LYS 35 1HG LYS 35 3.501 -11.239 0.085 278 HD2 LYS 35 2HD LYS 35 5.405 -10.860 1.246 279 HD3 LYS 35 1HD LYS 35 5.036 -12.443 1.930 280 HE2 LYS 35 2HE LYS 35 7.323 -12.487 1.302 281 HE3 LYS 35 1HE LYS 35 6.448 -13.443 0.106 282 HZ1 LYS 35 3HZ LYS 35 6.429 -11.409 -1.312 283 HZ2 LYS 35 1HZ LYS 35 7.968 -12.060 -1.047 284 HZ3 LYS 35 2HZ LYS 35 7.476 -10.679 -0.204 285 H PHE 36 H PHE 36 1.799 -10.620 1.194 286 HA PHE 36 HA PHE 36 -0.661 -10.109 0.103 287 HB2 PHE 36 2HB PHE 36 0.434 -7.874 -0.635 288 HB3 PHE 36 1HB PHE 36 0.382 -8.265 1.080 289 HD1 PHE 36 1HD PHE 36 2.601 -8.614 -1.894 290 HD2 PHE 36 2HD PHE 36 2.314 -8.105 2.321 291 HE1 PHE 36 1HE PHE 36 5.043 -8.342 -1.764 292 HE2 PHE 36 2HE PHE 36 4.755 -7.830 2.459 293 HZ PHE 36 HZ PHE 36 6.124 -7.950 0.415 294 H GLY 37 H GLY 37 2.301 -10.908 -1.545 295 HA2 GLY 37 2HA GLY 37 1.567 -10.055 -4.135 296 HA3 GLY 37 1HA GLY 37 2.797 -11.249 -3.754 297 H LYS 38 H LYS 38 1.121 -13.105 -2.420 298 HA LYS 38 HA LYS 38 0.224 -14.639 -4.580 299 HB2 LYS 38 2HB LYS 38 0.849 -15.568 -2.374 300 HB3 LYS 38 1HB LYS 38 -0.601 -14.856 -1.679 301 HG2 LYS 38 2HG LYS 38 -1.973 -16.416 -2.584 302 HG3 LYS 38 1HG LYS 38 -0.961 -16.638 -4.013 303 HD2 LYS 38 2HD LYS 38 -0.477 -18.602 -2.990 304 HD3 LYS 38 1HD LYS 38 0.703 -17.599 -2.144 305 HE2 LYS 38 2HE LYS 38 -0.260 -18.111 -0.212 306 HE3 LYS 38 1HE LYS 38 -1.757 -17.359 -0.765 307 HZ1 LYS 38 3HZ LYS 38 -2.354 -19.529 -0.240 308 HZ2 LYS 38 1HZ LYS 38 -0.957 -20.198 -0.925 309 HZ3 LYS 38 2HZ LYS 38 -2.173 -19.574 -1.923 310 H LEU 39 H LEU 39 -1.640 -12.781 -2.185 311 HA LEU 39 HA LEU 39 -4.195 -13.310 -3.105 312 HB2 LEU 39 2HB LEU 39 -3.109 -10.768 -1.903 313 HB3 LEU 39 1HB LEU 39 -4.810 -11.077 -2.155 314 HG LEU 39 HG LEU 39 -4.361 -11.483 0.141 315 HD11 LEU 39 1HD1 LEU 39 -4.897 -13.868 0.382 316 HD12 LEU 39 2HD1 LEU 39 -4.537 -14.103 -1.328 317 HD13 LEU 39 3HD1 LEU 39 -5.879 -13.066 -0.843 318 HD21 LEU 39 3HD2 LEU 39 -1.856 -11.848 -0.297 319 HD22 LEU 39 1HD2 LEU 39 -2.288 -13.545 -0.507 320 HD23 LEU 39 2HD2 LEU 39 -2.612 -12.736 1.025 321 H ALA 40 H ALA 40 -1.799 -11.045 -4.312 322 HA ALA 40 HA ALA 40 -3.327 -9.426 -5.943 323 HB1 ALA 40 1HB ALA 40 -0.679 -9.692 -5.476 324 HB2 ALA 40 2HB ALA 40 -1.364 -8.679 -6.744 325 HB3 ALA 40 3HB ALA 40 -0.785 -10.298 -7.128 326 H LYS 41 H LYS 41 -1.769 -12.484 -6.813 327 HA LYS 41 HA LYS 41 -3.228 -12.615 -9.312 328 HB2 LYS 41 2HB LYS 41 -1.414 -14.719 -8.147 329 HB3 LYS 41 1HB LYS 41 -1.880 -14.511 -9.829 330 HG2 LYS 41 2HG LYS 41 -0.014 -13.361 -10.131 331 HG3 LYS 41 1HG LYS 41 -0.686 -12.097 -9.099 332 HD2 LYS 41 2HD LYS 41 0.312 -13.106 -7.144 333 HD3 LYS 41 1HD LYS 41 0.880 -14.475 -8.100 334 HE2 LYS 41 2HE LYS 41 1.717 -11.617 -8.560 335 HE3 LYS 41 1HE LYS 41 2.636 -12.776 -7.600 336 HZ1 LYS 41 3HZ LYS 41 2.308 -14.149 -9.853 337 HZ2 LYS 41 1HZ LYS 41 3.639 -13.145 -9.564 338 HZ3 LYS 41 2HZ LYS 41 2.337 -12.578 -10.482 339 H GLU 42 H GLU 42 -3.505 -13.817 -6.091 340 HA GLU 42 HA GLU 42 -5.031 -16.143 -6.718 341 HB2 GLU 42 2HB GLU 42 -3.871 -14.950 -4.395 342 HB3 GLU 42 1HB GLU 42 -5.525 -15.393 -4.046 343 HG2 GLU 42 2HG GLU 42 -3.606 -17.302 -5.322 344 HG3 GLU 42 1HG GLU 42 -3.736 -17.119 -3.572 345 H LEU 43 H LEU 43 -6.170 -13.292 -4.819 346 HA LEU 43 HA LEU 43 -8.795 -13.769 -6.072 347 HB2 LEU 43 2HB LEU 43 -9.661 -12.589 -3.915 348 HB3 LEU 43 1HB LEU 43 -9.300 -14.300 -3.923 349 HG LEU 43 HG LEU 43 -8.541 -13.030 -1.894 350 HD11 LEU 43 1HD1 LEU 43 -6.016 -14.056 -2.795 351 HD12 LEU 43 2HD1 LEU 43 -7.336 -15.109 -3.305 352 HD13 LEU 43 3HD1 LEU 43 -7.135 -14.711 -1.599 353 HD21 LEU 43 3HD2 LEU 43 -7.628 -11.156 -3.571 354 HD22 LEU 43 1HD2 LEU 43 -6.149 -12.091 -3.353 355 HD23 LEU 43 2HD2 LEU 43 -6.971 -11.406 -1.954 356 H SER 44 H SER 44 -6.306 -11.520 -5.760 357 HA SER 44 HA SER 44 -7.766 -9.104 -5.726 358 HB2 SER 44 2HB SER 44 -5.038 -9.981 -6.353 359 HB3 SER 44 1HB SER 44 -5.527 -8.509 -7.169 360 HG SER 44 HG SER 44 -5.263 -9.040 -4.435 361 H ILE 45 H ILE 45 -9.023 -8.203 -7.216 362 HA ILE 45 HA ILE 45 -9.029 -9.367 -9.911 363 HB ILE 45 HB ILE 45 -11.324 -8.538 -10.076 364 HG12 ILE 45 2HG1 ILE 45 -11.403 -7.840 -7.190 365 HG13 ILE 45 1HG1 ILE 45 -10.653 -6.664 -8.258 366 HG21 ILE 45 1HG2 ILE 45 -12.304 -10.121 -8.626 367 HG22 ILE 45 2HG2 ILE 45 -11.000 -9.957 -7.448 368 HG23 ILE 45 3HG2 ILE 45 -10.698 -10.748 -8.995 369 HD11 ILE 45 3HD1 ILE 45 -12.731 -5.888 -8.449 370 HD12 ILE 45 1HD1 ILE 45 -13.458 -7.411 -7.934 371 HD13 ILE 45 2HD1 ILE 45 -12.928 -7.206 -9.605 372 H ASP 46 H ASP 46 -8.632 -6.325 -8.223 373 HA ASP 46 HA ASP 46 -8.310 -5.021 -10.846 374 HB2 ASP 46 2HB ASP 46 -10.417 -4.382 -9.607 375 HB3 ASP 46 1HB ASP 46 -9.380 -3.628 -8.401 376 H GLY 47 H GLY 47 -6.151 -4.826 -11.051 377 HA2 GLY 47 2HA GLY 47 -4.807 -2.803 -9.697 378 HA3 GLY 47 1HA GLY 47 -4.369 -4.311 -8.909 379 H GLY 48 H GLY 48 -2.849 -2.324 -10.578 380 HA2 GLY 48 2HA GLY 48 -2.110 -3.824 -12.945 381 HA3 GLY 48 1HA GLY 48 -1.383 -2.320 -12.388 382 H SER 49 H SER 49 -0.991 -3.326 -9.695 383 HA SER 49 HA SER 49 1.560 -4.562 -10.099 384 HB2 SER 49 2HB SER 49 0.386 -4.393 -7.373 385 HB3 SER 49 1HB SER 49 2.008 -3.986 -7.928 386 HG SER 49 HG SER 49 -0.333 -2.447 -7.973 387 H ALA 50 H ALA 50 -1.327 -5.949 -10.418 388 HA ALA 50 HA ALA 50 -1.238 -8.153 -8.640 389 HB1 ALA 50 1HB ALA 50 -3.148 -8.778 -9.640 390 HB2 ALA 50 2HB ALA 50 -2.424 -8.721 -11.248 391 HB3 ALA 50 3HB ALA 50 -3.040 -7.244 -10.507 392 H LYS 51 H LYS 51 0.401 -7.264 -11.495 393 HA LYS 51 HA LYS 51 1.442 -9.912 -12.053 394 HB2 LYS 51 2HB LYS 51 1.626 -7.197 -13.314 395 HB3 LYS 51 1HB LYS 51 2.761 -8.449 -13.760 396 HG2 LYS 51 2HG LYS 51 -0.196 -8.890 -13.873 397 HG3 LYS 51 1HG LYS 51 0.696 -8.164 -15.209 398 HD2 LYS 51 2HD LYS 51 1.162 -10.220 -15.925 399 HD3 LYS 51 1HD LYS 51 2.153 -10.442 -14.482 400 HE2 LYS 51 2HE LYS 51 0.111 -11.191 -13.274 401 HE3 LYS 51 1HE LYS 51 -0.772 -11.102 -14.798 402 HZ1 LYS 51 3HZ LYS 51 -0.141 -13.320 -14.611 403 HZ2 LYS 51 1HZ LYS 51 1.409 -12.947 -14.042 404 HZ3 LYS 51 2HZ LYS 51 1.015 -12.674 -15.664 405 H ARG 52 H ARG 52 2.196 -7.107 -10.261 406 HA ARG 52 HA ARG 52 5.019 -7.835 -9.979 407 HB2 ARG 52 2HB ARG 52 3.584 -5.322 -9.121 408 HB3 ARG 52 1HB ARG 52 5.314 -5.603 -9.047 409 HG2 ARG 52 2HG ARG 52 4.939 -6.047 -11.648 410 HG3 ARG 52 1HG ARG 52 3.596 -4.941 -11.356 411 HD2 ARG 52 2HD ARG 52 4.958 -3.175 -10.981 412 HD3 ARG 52 1HD ARG 52 6.192 -4.159 -10.194 413 HE ARG 52 HE ARG 52 6.406 -4.919 -12.762 414 HH11 ARG 52 1HH1 ARG 52 6.314 -1.769 -11.258 415 HH12 ARG 52 2HH1 ARG 52 7.298 -1.024 -12.471 416 HH21 ARG 52 1HH2 ARG 52 7.701 -3.939 -14.357 417 HH22 ARG 52 2HH2 ARG 52 8.085 -2.255 -14.232 418 H ASP 53 H ASP 53 2.675 -9.172 -8.671 419 HA ASP 53 HA ASP 53 2.133 -10.101 -6.696 420 HB2 ASP 53 2HB ASP 53 3.837 -10.679 -5.234 421 HB3 ASP 53 1HB ASP 53 4.701 -10.396 -6.736 422 H GLY 54 H GLY 54 1.101 -7.597 -7.163 423 HA2 GLY 54 2HA GLY 54 0.022 -5.860 -6.125 424 HA3 GLY 54 1HA GLY 54 0.005 -6.915 -4.722 425 H SER 55 H SER 55 2.966 -5.736 -6.162 426 HA SER 55 HA SER 55 3.630 -4.436 -3.652 427 HB2 SER 55 2HB SER 55 5.887 -4.179 -4.666 428 HB3 SER 55 1HB SER 55 5.333 -5.852 -4.642 429 HG SER 55 HG SER 55 6.076 -4.385 -6.735 430 H LEU 56 H LEU 56 2.204 -2.656 -3.757 431 HA LEU 56 HA LEU 56 2.014 -0.837 -5.869 432 HB2 LEU 56 2HB LEU 56 1.616 -0.525 -2.904 433 HB3 LEU 56 1HB LEU 56 1.338 0.793 -4.009 434 HG LEU 56 HG LEU 56 -0.174 -1.795 -3.785 435 HD11 LEU 56 1HD1 LEU 56 -0.635 1.030 -3.137 436 HD12 LEU 56 2HD1 LEU 56 -1.331 -0.431 -2.434 437 HD13 LEU 56 3HD1 LEU 56 -1.976 0.216 -3.944 438 HD21 LEU 56 3HD2 LEU 56 -1.468 -0.452 -5.754 439 HD22 LEU 56 1HD2 LEU 56 -0.325 -1.767 -6.027 440 HD23 LEU 56 2HD2 LEU 56 0.213 -0.094 -6.147 441 H GLY 57 H GLY 57 4.379 -1.174 -3.323 442 HA2 GLY 57 2HA GLY 57 6.475 -0.252 -3.114 443 HA3 GLY 57 1HA GLY 57 6.269 0.437 -4.715 444 H TYR 58 H TYR 58 7.511 2.186 -3.544 445 HA TYR 58 HA TYR 58 6.336 3.734 -1.527 446 HB2 TYR 58 2HB TYR 58 7.949 5.263 -3.459 447 HB3 TYR 58 1HB TYR 58 8.115 5.124 -1.716 448 HD1 TYR 58 1HD TYR 58 9.046 3.662 -4.957 449 HD2 TYR 58 2HD TYR 58 9.577 3.464 -0.740 450 HE1 TYR 58 1HE TYR 58 11.003 2.209 -5.279 451 HE2 TYR 58 2HE TYR 58 11.536 2.009 -1.052 452 HH TYR 58 HH TYR 58 13.094 1.619 -3.975 453 H PHE 59 H PHE 59 4.575 4.883 -1.535 454 HA PHE 59 HA PHE 59 3.819 6.338 -3.972 455 HB2 PHE 59 2HB PHE 59 2.149 4.546 -2.281 456 HB3 PHE 59 1HB PHE 59 1.399 6.010 -2.895 457 HD1 PHE 59 1HD PHE 59 2.617 6.272 -5.538 458 HD2 PHE 59 2HD PHE 59 1.212 2.808 -3.500 459 HE1 PHE 59 1HE PHE 59 2.212 5.172 -7.699 460 HE2 PHE 59 2HE PHE 59 0.803 1.703 -5.661 461 HZ PHE 59 HZ PHE 59 1.304 2.883 -7.762 462 H GLY 60 H GLY 60 2.382 8.226 -3.439 463 HA2 GLY 60 2HA GLY 60 2.857 9.212 -0.709 464 HA3 GLY 60 1HA GLY 60 3.383 10.190 -2.068 465 H ARG 61 H ARG 61 1.852 11.660 -0.753 466 HA ARG 61 HA ARG 61 -0.946 11.208 -0.990 467 HB2 ARG 61 2HB ARG 61 -1.173 13.504 -0.138 468 HB3 ARG 61 1HB ARG 61 -0.068 12.553 0.843 469 HG2 ARG 61 2HG ARG 61 1.760 13.623 -0.675 470 HG3 ARG 61 1HG ARG 61 0.509 14.826 -0.992 471 HD2 ARG 61 2HD ARG 61 1.491 15.783 0.829 472 HD3 ARG 61 1HD ARG 61 0.294 14.775 1.641 473 HE ARG 61 HE ARG 61 1.992 13.485 2.485 474 HH11 ARG 61 1HH1 ARG 61 3.261 15.526 -0.046 475 HH12 ARG 61 2HH1 ARG 61 4.913 15.132 0.294 476 HH21 ARG 61 1HH2 ARG 61 4.163 12.967 2.933 477 HH22 ARG 61 2HH2 ARG 61 5.425 13.678 1.984 478 H GLY 62 H GLY 62 -1.176 10.808 -3.216 479 HA2 GLY 62 2HA GLY 62 -2.287 12.571 -4.797 480 HA3 GLY 62 1HA GLY 62 -0.615 13.031 -5.019 481 H LYS 63 H LYS 63 -1.838 9.735 -4.617 482 HA LYS 63 HA LYS 63 -1.281 9.215 -7.447 483 HB2 LYS 63 2HB LYS 63 -0.024 7.875 -5.081 484 HB3 LYS 63 1HB LYS 63 -0.252 6.981 -6.577 485 HG2 LYS 63 2HG LYS 63 1.001 9.623 -6.874 486 HG3 LYS 63 1HG LYS 63 1.947 8.426 -5.988 487 HD2 LYS 63 2HD LYS 63 2.629 7.914 -8.098 488 HD3 LYS 63 1HD LYS 63 1.191 6.896 -8.029 489 HE2 LYS 63 2HE LYS 63 0.725 7.938 -9.981 490 HE3 LYS 63 1HE LYS 63 0.076 9.170 -8.898 491 HZ1 LYS 63 3HZ LYS 63 1.727 10.596 -9.385 492 HZ2 LYS 63 1HZ LYS 63 1.853 9.681 -10.805 493 HZ3 LYS 63 2HZ LYS 63 2.905 9.388 -9.514 494 H MET 64 H MET 64 -2.546 7.816 -4.419 495 HA MET 64 HA MET 64 -4.478 6.303 -6.039 496 HB2 MET 64 2HB MET 64 -4.737 4.816 -4.119 497 HB3 MET 64 1HB MET 64 -3.054 4.918 -4.612 498 HG2 MET 64 2HG MET 64 -3.019 6.815 -2.766 499 HG3 MET 64 1HG MET 64 -4.374 5.874 -2.144 500 HE1 MET 64 3HE MET 64 -0.786 6.318 -2.755 501 HE2 MET 64 1HE MET 64 0.018 5.026 -1.864 502 HE3 MET 64 2HE MET 64 -0.889 6.264 -0.995 503 H VAL 65 H VAL 65 -6.609 5.901 -4.879 504 HA VAL 65 HA VAL 65 -8.009 8.276 -4.617 505 HB VAL 65 HB VAL 65 -9.850 6.937 -3.682 506 HG11 VAL 65 1HG1 VAL 65 -8.357 6.187 -6.111 507 HG12 VAL 65 2HG1 VAL 65 -10.031 6.708 -5.919 508 HG13 VAL 65 3HG1 VAL 65 -9.583 5.038 -5.572 509 HG21 VAL 65 3HG2 VAL 65 -8.358 4.406 -3.881 510 HG22 VAL 65 1HG2 VAL 65 -9.612 4.898 -2.744 511 HG23 VAL 65 2HG2 VAL 65 -7.949 5.429 -2.506 512 H LYS 66 H LYS 66 -9.211 9.089 -2.736 513 HA LYS 66 HA LYS 66 -7.500 9.805 -0.640 514 HB2 LYS 66 2HB LYS 66 -10.078 10.513 -1.546 515 HB3 LYS 66 1HB LYS 66 -10.241 10.103 0.156 516 HG2 LYS 66 2HG LYS 66 -9.477 12.107 0.682 517 HG3 LYS 66 1HG LYS 66 -7.931 11.693 -0.063 518 HD2 LYS 66 2HD LYS 66 -8.380 13.452 -1.397 519 HD3 LYS 66 1HD LYS 66 -9.407 12.300 -2.253 520 HE2 LYS 66 2HE LYS 66 -11.185 13.063 -0.474 521 HE3 LYS 66 1HE LYS 66 -10.157 14.492 -0.377 522 HZ1 LYS 66 3HZ LYS 66 -10.940 13.552 -3.034 523 HZ2 LYS 66 1HZ LYS 66 -10.685 15.130 -2.477 524 HZ3 LYS 66 2HZ LYS 66 -12.119 14.321 -2.096 525 HA PRO 67 HA PRO 67 -10.074 6.748 2.151 526 HB2 PRO 67 2HB PRO 67 -10.980 4.547 0.733 527 HB3 PRO 67 1HB PRO 67 -11.985 5.876 1.283 528 HG2 PRO 67 2HG PRO 67 -10.913 5.291 -1.405 529 HG3 PRO 67 1HG PRO 67 -12.385 6.156 -0.946 530 HD2 PRO 67 2HD PRO 67 -10.113 7.363 -1.873 531 HD3 PRO 67 1HD PRO 67 -11.307 8.159 -0.850 532 H PHE 68 H PHE 68 -8.579 5.375 -0.729 533 HA PHE 68 HA PHE 68 -7.290 3.244 0.678 534 HB2 PHE 68 2HB PHE 68 -7.904 3.359 -1.822 535 HB3 PHE 68 1HB PHE 68 -6.424 4.295 -2.007 536 HD1 PHE 68 1HD PHE 68 -7.620 1.081 -0.541 537 HD2 PHE 68 2HD PHE 68 -4.479 3.185 -2.493 538 HE1 PHE 68 1HE PHE 68 -6.329 -1.007 -0.706 539 HE2 PHE 68 2HE PHE 68 -3.183 1.103 -2.660 540 HZ PHE 68 HZ PHE 68 -4.107 -0.998 -1.767 541 H GLU 69 H GLU 69 -6.104 6.270 -0.780 542 HA GLU 69 HA GLU 69 -3.439 6.030 0.030 543 HB2 GLU 69 2HB GLU 69 -4.570 7.724 -1.585 544 HB3 GLU 69 1HB GLU 69 -4.824 8.687 -0.138 545 HG2 GLU 69 2HG GLU 69 -2.094 7.717 -0.404 546 HG3 GLU 69 1HG GLU 69 -2.607 8.737 -1.747 547 H ASP 70 H ASP 70 -6.280 7.170 1.721 548 HA ASP 70 HA ASP 70 -5.028 8.477 3.864 549 HB2 ASP 70 2HB ASP 70 -7.711 7.308 3.358 550 HB3 ASP 70 1HB ASP 70 -7.273 7.587 5.041 551 H ALA 71 H ALA 71 -6.137 5.114 3.552 552 HA ALA 71 HA ALA 71 -5.157 4.355 6.131 553 HB1 ALA 71 1HB ALA 71 -6.766 2.870 5.652 554 HB2 ALA 71 2HB ALA 71 -5.488 2.001 4.806 555 HB3 ALA 71 3HB ALA 71 -6.569 3.068 3.910 556 H ALA 72 H ALA 72 -3.606 4.938 3.208 557 HA ALA 72 HA ALA 72 -1.666 2.897 3.147 558 HB1 ALA 72 1HB ALA 72 -1.163 5.691 2.180 559 HB2 ALA 72 2HB ALA 72 -2.264 4.601 1.336 560 HB3 ALA 72 3HB ALA 72 -0.565 4.167 1.523 561 H PHE 73 H PHE 73 -1.571 6.157 4.565 562 HA PHE 73 HA PHE 73 1.004 5.571 5.802 563 HB2 PHE 73 2HB PHE 73 0.778 7.984 6.602 564 HB3 PHE 73 1HB PHE 73 0.927 7.739 4.865 565 HD1 PHE 73 1HD PHE 73 -1.587 8.258 7.550 566 HD2 PHE 73 2HD PHE 73 -0.646 8.637 3.417 567 HE1 PHE 73 1HE PHE 73 -3.669 9.520 7.197 568 HE2 PHE 73 2HE PHE 73 -2.726 9.902 3.056 569 HZ PHE 73 HZ PHE 73 -4.240 10.343 4.947 570 H ARG 74 H ARG 74 -1.770 4.465 6.617 571 HA ARG 74 HA ARG 74 -1.824 5.386 9.398 572 HB2 ARG 74 2HB ARG 74 -3.850 4.777 7.582 573 HB3 ARG 74 1HB ARG 74 -3.840 3.416 8.694 574 HG2 ARG 74 2HG ARG 74 -4.257 4.811 10.554 575 HG3 ARG 74 1HG ARG 74 -3.921 6.273 9.622 576 HD2 ARG 74 2HD ARG 74 -5.887 5.696 8.181 577 HD3 ARG 74 1HD ARG 74 -6.260 4.398 9.315 578 HE ARG 74 HE ARG 74 -7.076 5.958 10.782 579 HH11 ARG 74 1HH1 ARG 74 -5.236 7.584 8.302 580 HH12 ARG 74 2HH1 ARG 74 -5.731 9.167 8.799 581 HH21 ARG 74 1HH2 ARG 74 -7.726 8.040 11.439 582 HH22 ARG 74 2HH2 ARG 74 -7.142 9.427 10.580 583 H LEU 75 H LEU 75 -1.011 2.650 7.427 584 HA LEU 75 HA LEU 75 -0.732 0.945 9.796 585 HB2 LEU 75 2HB LEU 75 -0.277 0.050 6.974 586 HB3 LEU 75 1HB LEU 75 -0.721 -0.912 8.368 587 HG LEU 75 HG LEU 75 -2.515 1.029 6.918 588 HD11 LEU 75 1HD1 LEU 75 -1.772 -1.442 6.116 589 HD12 LEU 75 2HD1 LEU 75 -3.341 -0.711 5.762 590 HD13 LEU 75 3HD1 LEU 75 -3.173 -1.824 7.120 591 HD21 LEU 75 3HD2 LEU 75 -4.052 0.808 8.546 592 HD22 LEU 75 1HD2 LEU 75 -2.667 0.401 9.557 593 HD23 LEU 75 2HD2 LEU 75 -3.645 -0.882 8.844 594 H GLN 76 H GLN 76 1.114 2.754 10.044 595 HA GLN 76 HA GLN 76 3.505 2.428 8.603 596 HB2 GLN 76 2HB GLN 76 2.858 3.539 11.318 597 HB3 GLN 76 1HB GLN 76 4.529 3.396 10.786 598 HG2 GLN 76 2HG GLN 76 3.572 4.639 8.656 599 HG3 GLN 76 1HG GLN 76 2.377 5.193 9.825 600 HE21 GLN 76 1HE2 GLN 76 5.576 5.492 8.677 601 HE22 GLN 76 2HE2 GLN 76 6.104 6.715 9.777 602 H VAL 77 H VAL 77 2.115 0.712 11.296 603 HA VAL 77 HA VAL 77 4.398 -0.704 12.156 604 HB VAL 77 HB VAL 77 2.512 -0.725 13.603 605 HG11 VAL 77 1HG1 VAL 77 1.016 -1.514 11.153 606 HG12 VAL 77 2HG1 VAL 77 0.622 -0.311 12.382 607 HG13 VAL 77 3HG1 VAL 77 0.402 -2.027 12.725 608 HG21 VAL 77 3HG2 VAL 77 2.068 -3.489 12.748 609 HG22 VAL 77 1HG2 VAL 77 2.690 -2.857 14.273 610 HG23 VAL 77 2HG2 VAL 77 3.770 -3.051 12.894 611 H GLY 78 H GLY 78 2.250 -1.065 9.459 612 HA2 GLY 78 2HA GLY 78 2.715 -2.286 7.517 613 HA3 GLY 78 1HA GLY 78 3.910 -3.197 8.399 614 H GLU 79 H GLU 79 0.467 -2.649 8.262 615 HA GLU 79 HA GLU 79 0.035 -5.530 8.516 616 HB2 GLU 79 2HB GLU 79 -0.122 -4.134 10.711 617 HB3 GLU 79 1HB GLU 79 -1.656 -3.616 10.059 618 HG2 GLU 79 2HG GLU 79 -1.301 -6.488 9.943 619 HG3 GLU 79 1HG GLU 79 -1.182 -5.846 11.578 620 H VAL 80 H VAL 80 -2.502 -5.867 8.276 621 HA VAL 80 HA VAL 80 -3.141 -4.602 5.777 622 HB VAL 80 HB VAL 80 -4.716 -6.606 7.406 623 HG11 VAL 80 1HG1 VAL 80 -5.840 -6.862 5.039 624 HG12 VAL 80 2HG1 VAL 80 -5.328 -5.185 4.857 625 HG13 VAL 80 3HG1 VAL 80 -6.401 -5.638 6.180 626 HG21 VAL 80 3HG2 VAL 80 -2.622 -7.475 6.476 627 HG22 VAL 80 1HG2 VAL 80 -3.114 -6.938 4.867 628 HG23 VAL 80 2HG2 VAL 80 -4.027 -8.203 5.695 629 H SER 81 H SER 81 -5.014 -3.312 5.393 630 HA SER 81 HA SER 81 -5.804 -1.811 7.784 631 HB2 SER 81 2HB SER 81 -5.098 -1.055 5.083 632 HB3 SER 81 1HB SER 81 -6.677 -0.406 5.522 633 HG SER 81 HG SER 81 -4.598 0.783 6.102 634 H GLU 82 H GLU 82 -7.946 -0.854 7.780 635 HA GLU 82 HA GLU 82 -9.974 -2.697 7.860 636 HB2 GLU 82 2HB GLU 82 -11.468 -0.781 8.065 637 HB3 GLU 82 1HB GLU 82 -9.975 -0.457 8.927 638 HG2 GLU 82 2HG GLU 82 -9.623 1.358 7.730 639 HG3 GLU 82 1HG GLU 82 -9.712 0.415 6.242 640 HA PRO 83 HA PRO 83 -11.507 -3.313 3.771 641 HB2 PRO 83 2HB PRO 83 -14.199 -3.178 4.062 642 HB3 PRO 83 1HB PRO 83 -13.240 -4.534 4.663 643 HG2 PRO 83 2HG PRO 83 -14.296 -2.158 6.150 644 HG3 PRO 83 1HG PRO 83 -14.292 -3.864 6.630 645 HD2 PRO 83 2HD PRO 83 -12.467 -2.099 7.554 646 HD3 PRO 83 1HD PRO 83 -12.075 -3.807 7.278 647 H VAL 84 H VAL 84 -10.874 -1.616 2.517 648 HA VAL 84 HA VAL 84 -12.499 0.832 2.558 649 HB VAL 84 HB VAL 84 -9.861 0.308 1.179 650 HG11 VAL 84 1HG1 VAL 84 -11.431 2.866 1.501 651 HG12 VAL 84 2HG1 VAL 84 -11.204 1.960 0.002 652 HG13 VAL 84 3HG1 VAL 84 -9.822 2.724 0.788 653 HG21 VAL 84 3HG2 VAL 84 -10.560 1.649 3.770 654 HG22 VAL 84 1HG2 VAL 84 -9.065 2.009 2.905 655 HG23 VAL 84 2HG2 VAL 84 -9.386 0.368 3.471 656 H LYS 85 H LYS 85 -14.243 0.576 1.272 657 HA LYS 85 HA LYS 85 -13.890 -0.699 -1.342 658 HB2 LYS 85 2HB LYS 85 -15.781 -1.302 0.327 659 HB3 LYS 85 1HB LYS 85 -16.525 0.199 -0.210 660 HG2 LYS 85 2HG LYS 85 -15.669 -1.922 -2.148 661 HG3 LYS 85 1HG LYS 85 -17.246 -1.955 -1.356 662 HD2 LYS 85 2HD LYS 85 -17.680 0.324 -2.242 663 HD3 LYS 85 1HD LYS 85 -16.154 0.231 -3.126 664 HE2 LYS 85 2HE LYS 85 -16.991 -1.763 -4.306 665 HE3 LYS 85 1HE LYS 85 -18.528 -1.602 -3.456 666 HZ1 LYS 85 3HZ LYS 85 -17.648 0.782 -4.837 667 HZ2 LYS 85 1HZ LYS 85 -19.178 0.060 -4.786 668 HZ3 LYS 85 2HZ LYS 85 -18.002 -0.524 -5.852 669 H SER 86 H SER 86 -13.366 0.637 -2.943 670 HA SER 86 HA SER 86 -14.519 3.350 -2.932 671 HB2 SER 86 2HB SER 86 -11.943 2.337 -4.149 672 HB3 SER 86 1HB SER 86 -12.592 3.952 -4.424 673 HG SER 86 HG SER 86 -11.045 3.236 -2.477 674 H GLU 87 H GLU 87 -14.287 4.189 -5.422 675 HA GLU 87 HA GLU 87 -16.404 3.089 -6.805 676 HB2 GLU 87 2HB GLU 87 -15.528 4.309 -8.789 677 HB3 GLU 87 1HB GLU 87 -15.600 5.295 -7.336 678 HG2 GLU 87 2HG GLU 87 -13.146 4.719 -7.014 679 HG3 GLU 87 1HG GLU 87 -13.189 4.117 -8.670 680 H PHE 88 H PHE 88 -13.099 2.048 -6.714 681 HA PHE 88 HA PHE 88 -13.285 0.417 -9.081 682 HB2 PHE 88 2HB PHE 88 -11.206 1.029 -7.053 683 HB3 PHE 88 1HB PHE 88 -11.074 -0.521 -7.876 684 HD1 PHE 88 1HD PHE 88 -11.125 -0.486 -10.444 685 HD2 PHE 88 2HD PHE 88 -10.404 2.958 -8.050 686 HE1 PHE 88 1HE PHE 88 -10.078 0.629 -12.370 687 HE2 PHE 88 2HE PHE 88 -9.355 4.080 -9.972 688 HZ PHE 88 HZ PHE 88 -9.191 2.915 -12.137 689 H GLY 89 H GLY 89 -13.426 -0.092 -5.582 690 HA2 GLY 89 2HA GLY 89 -15.194 -2.101 -5.416 691 HA3 GLY 89 1HA GLY 89 -13.747 -2.960 -5.919 692 H TYR 90 H TYR 90 -14.091 -4.092 -3.878 693 HA TYR 90 HA TYR 90 -13.616 -2.669 -1.421 694 HB2 TYR 90 2HB TYR 90 -14.680 -5.178 -2.222 695 HB3 TYR 90 1HB TYR 90 -13.319 -5.512 -1.170 696 HD1 TYR 90 1HD TYR 90 -16.591 -3.841 -1.408 697 HD2 TYR 90 2HD TYR 90 -13.455 -5.063 1.187 698 HE1 TYR 90 1HE TYR 90 -18.028 -3.381 0.532 699 HE2 TYR 90 2HE TYR 90 -14.885 -4.621 3.135 700 HH TYR 90 HH TYR 90 -17.203 -4.395 3.707 701 H HIS 91 H HIS 91 -11.623 -1.802 -1.346 702 HA HIS 91 HA HIS 91 -9.311 -3.232 -2.304 703 HB2 HIS 91 2HB HIS 91 -9.598 -0.541 -0.969 704 HB3 HIS 91 1HB HIS 91 -8.092 -1.179 -1.614 705 HD1 HIS 91 1HD HIS 91 -11.578 -0.319 -2.856 706 HD2 HIS 91 2HD HIS 91 -7.655 -0.529 -4.206 707 HE1 HIS 91 1HE HIS 91 -11.626 0.584 -5.200 708 HE2 HIS 91 2HE HIS 91 -9.224 0.548 -5.958 709 H VAL 92 H VAL 92 -7.358 -3.395 -1.066 710 HA VAL 92 HA VAL 92 -7.582 -3.620 1.825 711 HB VAL 92 HB VAL 92 -6.616 -5.952 0.156 712 HG11 VAL 92 1HG1 VAL 92 -7.295 -6.248 3.016 713 HG12 VAL 92 2HG1 VAL 92 -5.838 -5.325 2.647 714 HG13 VAL 92 3HG1 VAL 92 -6.001 -6.984 2.072 715 HG21 VAL 92 3HG2 VAL 92 -8.865 -6.181 -0.161 716 HG22 VAL 92 1HG2 VAL 92 -9.274 -5.326 1.326 717 HG23 VAL 92 2HG2 VAL 92 -8.710 -6.994 1.397 718 H ILE 93 H ILE 93 -5.774 -2.752 2.683 719 HA ILE 93 HA ILE 93 -3.412 -2.563 0.933 720 HB ILE 93 HB ILE 93 -3.347 -0.713 3.161 721 HG12 ILE 93 2HG1 ILE 93 -5.739 -0.628 1.317 722 HG13 ILE 93 1HG1 ILE 93 -5.735 -0.637 3.077 723 HG21 ILE 93 1HG2 ILE 93 -2.346 -0.894 0.610 724 HG22 ILE 93 2HG2 ILE 93 -2.260 0.525 1.653 725 HG23 ILE 93 3HG2 ILE 93 -3.557 0.379 0.467 726 HD11 ILE 93 3HD1 ILE 93 -4.533 1.604 2.911 727 HD12 ILE 93 1HD1 ILE 93 -6.244 1.558 2.485 728 HD13 ILE 93 2HD1 ILE 93 -5.020 1.597 1.216 729 H LYS 94 H LYS 94 -1.643 -3.560 1.492 730 HA LYS 94 HA LYS 94 -1.119 -4.133 4.329 731 HB2 LYS 94 2HB LYS 94 -1.853 -6.118 2.717 732 HB3 LYS 94 1HB LYS 94 -0.160 -6.051 2.252 733 HG2 LYS 94 2HG LYS 94 -1.200 -6.449 5.048 734 HG3 LYS 94 1HG LYS 94 -0.543 -7.704 3.994 735 HD2 LYS 94 2HD LYS 94 1.591 -6.389 3.916 736 HD3 LYS 94 1HD LYS 94 0.911 -5.332 5.155 737 HE2 LYS 94 2HE LYS 94 1.907 -6.760 6.578 738 HE3 LYS 94 1HE LYS 94 0.485 -7.757 6.274 739 HZ1 LYS 94 3HZ LYS 94 3.230 -8.130 5.404 740 HZ2 LYS 94 1HZ LYS 94 2.042 -8.504 4.258 741 HZ3 LYS 94 2HZ LYS 94 2.042 -9.278 5.762 742 H ARG 95 H ARG 95 0.598 -2.949 4.866 743 HA ARG 95 HA ARG 95 2.306 -1.674 3.109 744 HB2 ARG 95 2HB ARG 95 1.881 -1.463 5.732 745 HB3 ARG 95 1HB ARG 95 3.379 -2.383 5.778 746 HG2 ARG 95 2HG ARG 95 3.282 0.010 4.029 747 HG3 ARG 95 1HG ARG 95 3.353 0.257 5.776 748 HD2 ARG 95 2HD ARG 95 5.251 -1.686 5.351 749 HD3 ARG 95 1HD ARG 95 5.413 -0.665 3.924 750 HE ARG 95 HE ARG 95 5.361 1.108 5.976 751 HH11 ARG 95 1HH1 ARG 95 7.271 -1.731 5.292 752 HH12 ARG 95 2HH1 ARG 95 8.669 -1.145 6.129 753 HH21 ARG 95 1HH2 ARG 95 7.201 1.880 7.079 754 HH22 ARG 95 2HH2 ARG 95 8.629 0.903 7.147 755 H LEU 96 H LEU 96 4.162 -2.087 2.165 756 HA LEU 96 HA LEU 96 5.843 -4.274 2.877 757 HB2 LEU 96 2HB LEU 96 5.406 -5.690 1.194 758 HB3 LEU 96 1HB LEU 96 3.841 -4.921 1.190 759 HG LEU 96 HG LEU 96 4.877 -3.332 -0.579 760 HD11 LEU 96 1HD1 LEU 96 6.931 -5.461 -0.335 761 HD12 LEU 96 2HD1 LEU 96 7.116 -3.748 -0.717 762 HD13 LEU 96 3HD1 LEU 96 6.540 -4.872 -1.950 763 HD21 LEU 96 3HD2 LEU 96 3.343 -4.481 -1.693 764 HD22 LEU 96 1HD2 LEU 96 3.653 -5.945 -0.761 765 HD23 LEU 96 2HD2 LEU 96 4.638 -5.576 -2.178 766 H GLY 97 H GLY 97 7.764 -3.378 2.793 767 HA2 GLY 97 2HA GLY 97 8.653 -1.974 0.430 768 HA3 GLY 97 1HA GLY 97 8.554 -0.980 1.871 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 15.985 9.758 14.620 2 H2 GLY 1 2HT GLY 1 17.406 10.243 13.842 3 H3 GLY 1 3HT GLY 1 17.337 8.740 14.614 4 HA2 GLY 1 1HA GLY 1 17.138 8.757 12.094 5 HA3 GLY 1 2HA GLY 1 15.983 7.799 13.007 6 HA PRO 2 HA PRO 2 13.878 12.047 11.490 7 HB2 PRO 2 2HB PRO 2 15.364 12.044 8.905 8 HB3 PRO 2 1HB PRO 2 14.785 13.406 9.869 9 HG2 PRO 2 2HG PRO 2 17.366 12.758 9.854 10 HG3 PRO 2 1HG PRO 2 16.569 13.291 11.347 11 HD2 PRO 2 2HD PRO 2 17.379 10.545 10.504 12 HD3 PRO 2 1HD PRO 2 17.382 11.279 12.121 13 H MET 3 H MET 3 12.009 10.976 11.178 14 HA MET 3 HA MET 3 11.777 8.950 9.116 15 HB2 MET 3 2HB MET 3 9.703 10.015 11.040 16 HB3 MET 3 1HB MET 3 9.515 8.608 10.001 17 HG2 MET 3 2HG MET 3 11.448 8.917 12.285 18 HG3 MET 3 1HG MET 3 10.006 7.905 12.244 19 HE1 MET 3 3HE MET 3 10.896 4.752 11.165 20 HE2 MET 3 1HE MET 3 10.128 5.862 12.300 21 HE3 MET 3 2HE MET 3 11.741 5.233 12.637 22 H GLY 4 H GLY 4 10.938 9.243 7.146 23 HA2 GLY 4 2HA GLY 4 9.123 10.263 5.821 24 HA3 GLY 4 1HA GLY 4 9.499 11.775 6.634 25 H SER 5 H SER 5 12.352 11.515 6.470 26 HA SER 5 HA SER 5 12.716 12.520 3.807 27 HB2 SER 5 2HB SER 5 14.369 12.320 6.271 28 HB3 SER 5 1HB SER 5 15.229 12.430 4.736 29 HG SER 5 HG SER 5 14.907 14.501 5.244 30 H MET 6 H MET 6 13.261 11.399 2.069 31 HA MET 6 HA MET 6 14.273 9.856 0.720 32 HB2 MET 6 2HB MET 6 15.892 9.755 2.934 33 HB3 MET 6 1HB MET 6 15.346 8.088 2.799 34 HG2 MET 6 2HG MET 6 16.096 8.089 0.438 35 HG3 MET 6 1HG MET 6 16.752 9.706 0.687 36 HE1 MET 6 3HE MET 6 20.062 8.009 0.530 37 HE2 MET 6 1HE MET 6 18.727 8.708 -0.386 38 HE3 MET 6 2HE MET 6 18.828 6.961 -0.171 39 H ALA 7 H ALA 7 11.937 9.279 3.008 40 HA ALA 7 HA ALA 7 10.996 6.951 1.556 41 HB1 ALA 7 1HB ALA 7 11.119 6.723 4.542 42 HB2 ALA 7 2HB ALA 7 12.470 6.205 3.533 43 HB3 ALA 7 3HB ALA 7 10.885 5.457 3.338 44 H ASP 8 H ASP 8 10.187 9.754 1.976 45 HA ASP 8 HA ASP 8 8.079 10.081 3.740 46 HB2 ASP 8 2HB ASP 8 9.026 11.924 2.435 47 HB3 ASP 8 1HB ASP 8 8.368 11.232 0.956 48 H LYS 9 H LYS 9 8.213 8.263 0.785 49 HA LYS 9 HA LYS 9 5.370 8.021 0.500 50 HB2 LYS 9 2HB LYS 9 7.761 6.888 -0.893 51 HB3 LYS 9 1HB LYS 9 6.156 6.271 -1.219 52 HG2 LYS 9 2HG LYS 9 6.849 7.912 -2.860 53 HG3 LYS 9 1HG LYS 9 5.440 8.466 -1.963 54 HD2 LYS 9 2HD LYS 9 8.093 9.241 -0.911 55 HD3 LYS 9 1HD LYS 9 7.584 9.999 -2.422 56 HE2 LYS 9 2HE LYS 9 5.337 10.092 -0.795 57 HE3 LYS 9 1HE LYS 9 6.680 10.465 0.278 58 HZ1 LYS 9 3HZ LYS 9 7.195 12.363 -0.864 59 HZ2 LYS 9 1HZ LYS 9 5.516 12.339 -1.077 60 HZ3 LYS 9 2HZ LYS 9 6.534 11.814 -2.322 61 H ILE 10 H ILE 10 4.323 5.921 0.425 62 HA ILE 10 HA ILE 10 5.419 4.132 2.487 63 HB ILE 10 HB ILE 10 2.534 4.015 1.717 64 HG12 ILE 10 2HG1 ILE 10 2.889 5.592 4.100 65 HG13 ILE 10 1HG1 ILE 10 3.718 6.368 2.754 66 HG21 ILE 10 1HG2 ILE 10 4.281 3.031 3.860 67 HG22 ILE 10 2HG2 ILE 10 2.826 2.323 3.159 68 HG23 ILE 10 3HG2 ILE 10 2.691 3.589 4.380 69 HD11 ILE 10 3HD1 ILE 10 1.769 7.203 2.155 70 HD12 ILE 10 1HD1 ILE 10 0.914 6.201 3.330 71 HD13 ILE 10 2HD1 ILE 10 1.274 5.567 1.723 72 H LYS 11 H LYS 11 5.869 2.179 1.960 73 HA LYS 11 HA LYS 11 5.320 1.290 -0.760 74 HB2 LYS 11 2HB LYS 11 7.114 -0.081 1.236 75 HB3 LYS 11 1HB LYS 11 7.157 -0.175 -0.522 76 HG2 LYS 11 2HG LYS 11 8.506 1.585 -0.685 77 HG3 LYS 11 1HG LYS 11 7.518 2.570 0.412 78 HD2 LYS 11 2HD LYS 11 9.335 2.409 1.746 79 HD3 LYS 11 1HD LYS 11 8.657 0.833 2.156 80 HE2 LYS 11 2HE LYS 11 10.351 -0.254 1.191 81 HE3 LYS 11 1HE LYS 11 10.270 0.749 -0.257 82 HZ1 LYS 11 3HZ LYS 11 11.698 1.365 2.271 83 HZ2 LYS 11 1HZ LYS 11 11.489 2.480 1.015 84 HZ3 LYS 11 2HZ LYS 11 12.384 1.069 0.755 85 H CYS 12 H CYS 12 3.284 0.533 -0.752 86 HA CYS 12 HA CYS 12 2.684 -1.658 1.113 87 HB2 CYS 12 2HB CYS 12 0.699 -0.708 1.695 88 HB3 CYS 12 1HB CYS 12 1.530 0.765 1.236 89 HG CYS 12 HG CYS 12 -0.861 -0.450 -0.205 90 H SER 13 H SER 13 0.521 -2.743 0.259 91 HA SER 13 HA SER 13 0.842 -3.325 -2.610 92 HB2 SER 13 2HB SER 13 0.703 -5.619 -2.259 93 HB3 SER 13 1HB SER 13 1.612 -5.118 -0.834 94 HG SER 13 HG SER 13 -0.669 -4.926 0.093 95 H HIS 14 H HIS 14 -1.189 -4.144 -3.631 96 HA HIS 14 HA HIS 14 -3.589 -3.294 -2.159 97 HB2 HIS 14 2HB HIS 14 -4.466 -2.159 -4.097 98 HB3 HIS 14 1HB HIS 14 -2.873 -1.513 -3.730 99 HD1 HIS 14 1HD HIS 14 -3.923 -1.070 -6.502 100 HD2 HIS 14 2HD HIS 14 -1.719 -4.431 -5.460 101 HE1 HIS 14 1HE HIS 14 -2.952 -1.932 -8.655 102 HE2 HIS 14 2HE HIS 14 -1.733 -4.039 -8.014 103 H ILE 15 H ILE 15 -5.500 -4.334 -2.614 104 HA ILE 15 HA ILE 15 -5.570 -6.411 -4.635 105 HB ILE 15 HB ILE 15 -5.806 -7.036 -1.689 106 HG12 ILE 15 2HG1 ILE 15 -4.237 -8.954 -2.600 107 HG13 ILE 15 1HG1 ILE 15 -3.929 -7.804 -3.891 108 HG21 ILE 15 1HG2 ILE 15 -7.458 -8.436 -2.246 109 HG22 ILE 15 2HG2 ILE 15 -6.193 -9.420 -2.980 110 HG23 ILE 15 3HG2 ILE 15 -7.122 -8.295 -3.972 111 HD11 ILE 15 3HD1 ILE 15 -2.971 -7.838 -1.154 112 HD12 ILE 15 1HD1 ILE 15 -3.637 -6.277 -1.631 113 HD13 ILE 15 2HD1 ILE 15 -2.333 -7.003 -2.571 114 H LEU 16 H LEU 16 -7.574 -6.626 -5.486 115 HA LEU 16 HA LEU 16 -9.805 -5.351 -4.035 116 HB2 LEU 16 2HB LEU 16 -8.955 -5.187 -6.873 117 HB3 LEU 16 1HB LEU 16 -10.678 -5.228 -6.563 118 HG LEU 16 HG LEU 16 -9.908 -2.941 -6.768 119 HD11 LEU 16 1HD1 LEU 16 -10.350 -2.567 -4.028 120 HD12 LEU 16 2HD1 LEU 16 -11.255 -4.012 -4.479 121 HD13 LEU 16 3HD1 LEU 16 -11.529 -2.496 -5.336 122 HD21 LEU 16 3HD2 LEU 16 -7.685 -3.923 -5.326 123 HD22 LEU 16 1HD2 LEU 16 -8.420 -2.642 -4.364 124 HD23 LEU 16 2HD2 LEU 16 -7.918 -2.319 -6.023 125 H VAL 17 H VAL 17 -11.687 -6.425 -3.847 126 HA VAL 17 HA VAL 17 -12.203 -8.791 -5.451 127 HB VAL 17 HB VAL 17 -12.565 -10.270 -3.588 128 HG11 VAL 17 1HG1 VAL 17 -9.908 -9.160 -2.858 129 HG12 VAL 17 2HG1 VAL 17 -10.161 -9.643 -4.534 130 HG13 VAL 17 3HG1 VAL 17 -10.375 -10.814 -3.243 131 HG21 VAL 17 3HG2 VAL 17 -11.552 -9.248 -1.310 132 HG22 VAL 17 1HG2 VAL 17 -13.267 -9.209 -1.718 133 HG23 VAL 17 2HG2 VAL 17 -12.257 -7.792 -2.013 134 H LYS 18 H LYS 18 -14.357 -9.024 -5.855 135 HA LYS 18 HA LYS 18 -16.101 -6.935 -5.028 136 HB2 LYS 18 2HB LYS 18 -16.208 -9.214 -6.868 137 HB3 LYS 18 1HB LYS 18 -17.754 -8.860 -6.108 138 HG2 LYS 18 2HG LYS 18 -18.078 -7.117 -7.433 139 HG3 LYS 18 1HG LYS 18 -16.511 -6.430 -7.004 140 HD2 LYS 18 2HD LYS 18 -15.441 -7.897 -8.672 141 HD3 LYS 18 1HD LYS 18 -17.030 -8.515 -9.123 142 HE2 LYS 18 2HE LYS 18 -16.889 -5.606 -9.155 143 HE3 LYS 18 1HE LYS 18 -15.742 -6.361 -10.259 144 HZ1 LYS 18 3HZ LYS 18 -17.898 -7.772 -10.824 145 HZ2 LYS 18 1HZ LYS 18 -17.539 -6.314 -11.605 146 HZ3 LYS 18 2HZ LYS 18 -18.654 -6.340 -10.334 147 H LYS 19 H LYS 19 -15.685 -10.291 -4.020 148 HA LYS 19 HA LYS 19 -18.006 -10.252 -2.339 149 HB2 LYS 19 2HB LYS 19 -17.161 -12.387 -1.440 150 HB3 LYS 19 1HB LYS 19 -17.264 -12.383 -3.194 151 HG2 LYS 19 2HG LYS 19 -14.757 -11.699 -3.054 152 HG3 LYS 19 1HG LYS 19 -14.885 -12.380 -1.436 153 HD2 LYS 19 2HD LYS 19 -15.987 -13.986 -3.663 154 HD3 LYS 19 1HD LYS 19 -14.230 -13.851 -3.561 155 HE2 LYS 19 2HE LYS 19 -14.115 -15.156 -1.740 156 HE3 LYS 19 1HE LYS 19 -15.534 -14.414 -1.003 157 HZ1 LYS 19 3HZ LYS 19 -16.951 -15.776 -2.364 158 HZ2 LYS 19 1HZ LYS 19 -15.858 -16.772 -1.539 159 HZ3 LYS 19 2HZ LYS 19 -15.623 -16.432 -3.179 160 H GLN 20 H GLN 20 -17.614 -8.280 -1.334 161 HA GLN 20 HA GLN 20 -15.493 -7.383 0.071 162 HB2 GLN 20 2HB GLN 20 -17.209 -6.236 1.572 163 HB3 GLN 20 1HB GLN 20 -17.320 -5.937 -0.157 164 HG2 GLN 20 2HG GLN 20 -18.914 -8.194 0.844 165 HG3 GLN 20 1HG GLN 20 -19.408 -6.599 1.404 166 HE21 GLN 20 1HE2 GLN 20 -20.816 -8.414 -0.350 167 HE22 GLN 20 2HE2 GLN 20 -21.058 -7.572 -1.840 168 H GLY 21 H GLY 21 -17.540 -10.025 1.072 169 HA2 GLY 21 2HA GLY 21 -16.896 -9.885 3.828 170 HA3 GLY 21 1HA GLY 21 -17.468 -11.321 2.992 171 H GLU 22 H GLU 22 -15.265 -11.185 1.053 172 HA GLU 22 HA GLU 22 -13.345 -12.700 2.529 173 HB2 GLU 22 2HB GLU 22 -12.315 -13.104 0.472 174 HB3 GLU 22 1HB GLU 22 -14.012 -12.954 0.060 175 HG2 GLU 22 2HG GLU 22 -13.594 -11.264 -1.312 176 HG3 GLU 22 1HG GLU 22 -12.651 -10.422 -0.101 177 H ALA 23 H ALA 23 -13.543 -9.483 1.162 178 HA ALA 23 HA ALA 23 -10.967 -8.562 1.434 179 HB1 ALA 23 1HB ALA 23 -12.519 -7.140 0.374 180 HB2 ALA 23 2HB ALA 23 -12.059 -6.297 1.855 181 HB3 ALA 23 3HB ALA 23 -13.600 -7.149 1.769 182 H LEU 24 H LEU 24 -13.426 -9.026 3.892 183 HA LEU 24 HA LEU 24 -11.987 -7.721 5.996 184 HB2 LEU 24 2HB LEU 24 -14.540 -8.333 5.764 185 HB3 LEU 24 1HB LEU 24 -14.036 -9.839 6.501 186 HG LEU 24 HG LEU 24 -14.849 -8.411 8.234 187 HD11 LEU 24 1HD1 LEU 24 -13.105 -8.572 9.731 188 HD12 LEU 24 2HD1 LEU 24 -11.894 -8.110 8.536 189 HD13 LEU 24 3HD1 LEU 24 -12.617 -9.717 8.481 190 HD21 LEU 24 3HD2 LEU 24 -13.641 -6.215 8.662 191 HD22 LEU 24 1HD2 LEU 24 -14.762 -6.256 7.302 192 HD23 LEU 24 2HD2 LEU 24 -13.025 -6.358 7.016 193 H ALA 25 H ALA 25 -12.355 -11.041 4.880 194 HA ALA 25 HA ALA 25 -10.864 -12.216 7.011 195 HB1 ALA 25 1HB ALA 25 -11.864 -13.206 4.363 196 HB2 ALA 25 2HB ALA 25 -12.381 -13.660 5.988 197 HB3 ALA 25 3HB ALA 25 -10.816 -14.199 5.378 198 H VAL 26 H VAL 26 -10.089 -11.486 3.605 199 HA VAL 26 HA VAL 26 -7.566 -12.506 3.427 200 HB VAL 26 HB VAL 26 -7.109 -11.068 1.643 201 HG11 VAL 26 1HG1 VAL 26 -9.593 -12.264 1.837 202 HG12 VAL 26 2HG1 VAL 26 -8.817 -11.688 0.362 203 HG13 VAL 26 3HG1 VAL 26 -9.945 -10.647 1.230 204 HG21 VAL 26 3HG2 VAL 26 -8.968 -9.082 2.935 205 HG22 VAL 26 1HG2 VAL 26 -8.298 -8.893 1.316 206 HG23 VAL 26 2HG2 VAL 26 -7.224 -8.936 2.716 207 H GLN 27 H GLN 27 -8.495 -9.434 4.939 208 HA GLN 27 HA GLN 27 -5.899 -8.487 5.394 209 HB2 GLN 27 2HB GLN 27 -6.848 -6.869 6.766 210 HB3 GLN 27 1HB GLN 27 -8.191 -7.300 5.720 211 HG2 GLN 27 2HG GLN 27 -9.279 -7.326 7.688 212 HG3 GLN 27 1HG GLN 27 -8.684 -8.978 7.721 213 HE21 GLN 27 1HE2 GLN 27 -8.482 -5.836 9.100 214 HE22 GLN 27 2HE2 GLN 27 -7.425 -6.237 10.408 215 H GLU 28 H GLU 28 -7.985 -10.564 7.347 216 HA GLU 28 HA GLU 28 -6.086 -10.913 9.455 217 HB2 GLU 28 2HB GLU 28 -8.810 -11.566 8.970 218 HB3 GLU 28 1HB GLU 28 -7.978 -13.053 9.357 219 HG2 GLU 28 2HG GLU 28 -8.302 -10.624 11.017 220 HG3 GLU 28 1HG GLU 28 -8.762 -12.274 11.390 221 H ARG 29 H ARG 29 -6.901 -12.562 6.495 222 HA ARG 29 HA ARG 29 -5.386 -14.931 7.045 223 HB2 ARG 29 2HB ARG 29 -7.309 -15.097 5.627 224 HB3 ARG 29 1HB ARG 29 -6.697 -13.847 4.556 225 HG2 ARG 29 2HG ARG 29 -6.350 -15.837 3.409 226 HG3 ARG 29 1HG ARG 29 -4.766 -15.436 4.075 227 HD2 ARG 29 2HD ARG 29 -4.709 -17.297 5.305 228 HD3 ARG 29 1HD ARG 29 -6.348 -17.043 5.902 229 HE ARG 29 HE ARG 29 -5.534 -18.730 3.719 230 HH11 ARG 29 1HH1 ARG 29 -8.179 -16.939 5.125 231 HH12 ARG 29 2HH1 ARG 29 -9.399 -17.900 4.359 232 HH21 ARG 29 1HH2 ARG 29 -7.138 -19.993 2.711 233 HH22 ARG 29 2HH2 ARG 29 -8.809 -19.632 2.989 234 H LEU 30 H LEU 30 -4.775 -11.886 5.452 235 HA LEU 30 HA LEU 30 -2.600 -12.499 3.868 236 HB2 LEU 30 2HB LEU 30 -3.855 -10.284 4.164 237 HB3 LEU 30 1HB LEU 30 -2.764 -9.977 5.498 238 HG LEU 30 HG LEU 30 -1.935 -8.839 3.565 239 HD11 LEU 30 1HD1 LEU 30 -0.189 -11.264 3.720 240 HD12 LEU 30 2HD1 LEU 30 -0.362 -10.181 5.099 241 HD13 LEU 30 3HD1 LEU 30 0.270 -9.569 3.570 242 HD21 LEU 30 3HD2 LEU 30 -2.023 -9.607 1.466 243 HD22 LEU 30 1HD2 LEU 30 -3.093 -10.851 2.112 244 HD23 LEU 30 2HD2 LEU 30 -1.373 -11.184 1.918 245 H LYS 31 H LYS 31 -2.450 -11.274 7.217 246 HA LYS 31 HA LYS 31 0.334 -11.835 7.476 247 HB2 LYS 31 2HB LYS 31 0.055 -11.195 9.802 248 HB3 LYS 31 1HB LYS 31 -0.794 -10.062 8.762 249 HG2 LYS 31 2HG LYS 31 -2.503 -12.239 9.603 250 HG3 LYS 31 1HG LYS 31 -1.818 -11.363 10.973 251 HD2 LYS 31 2HD LYS 31 -2.587 -9.376 9.186 252 HD3 LYS 31 1HD LYS 31 -3.887 -10.567 9.108 253 HE2 LYS 31 2HE LYS 31 -4.418 -8.970 10.816 254 HE3 LYS 31 1HE LYS 31 -4.018 -10.504 11.587 255 HZ1 LYS 31 3HZ LYS 31 -2.624 -7.960 11.687 256 HZ2 LYS 31 1HZ LYS 31 -1.633 -9.327 11.557 257 HZ3 LYS 31 2HZ LYS 31 -2.721 -9.189 12.845 258 H ALA 32 H ALA 32 -2.361 -13.836 7.527 259 HA ALA 32 HA ALA 32 -1.842 -15.626 9.595 260 HB1 ALA 32 1HB ALA 32 -2.969 -16.382 6.906 261 HB2 ALA 32 2HB ALA 32 -3.892 -15.524 8.142 262 HB3 ALA 32 3HB ALA 32 -3.279 -17.145 8.467 263 H GLY 33 H GLY 33 -0.227 -15.164 6.580 264 HA2 GLY 33 2HA GLY 33 2.100 -16.353 7.001 265 HA3 GLY 33 1HA GLY 33 1.078 -17.742 6.677 266 H GLU 34 H GLU 34 -0.514 -15.865 4.825 267 HA GLU 34 HA GLU 34 0.995 -16.548 2.456 268 HB2 GLU 34 2HB GLU 34 -0.991 -15.520 1.274 269 HB3 GLU 34 1HB GLU 34 -1.347 -16.908 2.292 270 HG2 GLU 34 2HG GLU 34 -2.394 -15.623 3.903 271 HG3 GLU 34 1HG GLU 34 -1.619 -14.135 3.367 272 H LYS 35 H LYS 35 1.470 -14.998 0.767 273 HA LYS 35 HA LYS 35 2.334 -12.440 1.910 274 HB2 LYS 35 2HB LYS 35 3.953 -14.065 0.756 275 HB3 LYS 35 1HB LYS 35 3.196 -13.556 -0.747 276 HG2 LYS 35 2HG LYS 35 4.345 -11.656 -0.794 277 HG3 LYS 35 1HG LYS 35 3.980 -11.301 0.895 278 HD2 LYS 35 2HD LYS 35 5.879 -13.490 0.575 279 HD3 LYS 35 1HD LYS 35 6.452 -11.976 -0.127 280 HE2 LYS 35 2HE LYS 35 6.825 -11.088 1.883 281 HE3 LYS 35 1HE LYS 35 5.230 -11.562 2.465 282 HZ1 LYS 35 3HZ LYS 35 7.391 -13.554 2.238 283 HZ2 LYS 35 1HZ LYS 35 6.015 -13.584 3.224 284 HZ3 LYS 35 2HZ LYS 35 7.298 -12.544 3.593 285 H PHE 36 H PHE 36 1.804 -10.498 1.040 286 HA PHE 36 HA PHE 36 -0.651 -10.047 -0.063 287 HB2 PHE 36 2HB PHE 36 0.466 -7.878 -0.986 288 HB3 PHE 36 1HB PHE 36 0.405 -8.139 0.754 289 HD1 PHE 36 1HD PHE 36 2.614 -8.645 -2.193 290 HD2 PHE 36 2HD PHE 36 2.346 -8.016 2.006 291 HE1 PHE 36 1HE PHE 36 5.061 -8.411 -2.076 292 HE2 PHE 36 2HE PHE 36 4.792 -7.780 2.131 293 HZ PHE 36 HZ PHE 36 6.152 -7.978 0.088 294 H GLY 37 H GLY 37 2.305 -10.909 -1.705 295 HA2 GLY 37 2HA GLY 37 1.567 -10.253 -4.336 296 HA3 GLY 37 1HA GLY 37 2.751 -11.469 -3.878 297 H LYS 38 H LYS 38 1.094 -13.200 -2.444 298 HA LYS 38 HA LYS 38 0.092 -14.826 -4.476 299 HB2 LYS 38 2HB LYS 38 0.738 -15.476 -2.094 300 HB3 LYS 38 1HB LYS 38 -0.858 -14.914 -1.616 301 HG2 LYS 38 2HG LYS 38 -1.833 -16.782 -2.318 302 HG3 LYS 38 1HG LYS 38 -0.981 -16.739 -3.863 303 HD2 LYS 38 2HD LYS 38 0.601 -18.182 -3.168 304 HD3 LYS 38 1HD LYS 38 0.698 -17.454 -1.564 305 HE2 LYS 38 2HE LYS 38 -1.102 -18.712 -0.757 306 HE3 LYS 38 1HE LYS 38 -1.655 -19.127 -2.380 307 HZ1 LYS 38 3HZ LYS 38 -0.238 -20.767 -0.838 308 HZ2 LYS 38 1HZ LYS 38 1.019 -20.023 -1.692 309 HZ3 LYS 38 2HZ LYS 38 -0.213 -20.827 -2.528 310 H LEU 39 H LEU 39 -1.688 -12.798 -2.148 311 HA LEU 39 HA LEU 39 -4.266 -13.309 -3.012 312 HB2 LEU 39 2HB LEU 39 -3.097 -10.744 -1.943 313 HB3 LEU 39 1HB LEU 39 -4.809 -11.011 -2.167 314 HG LEU 39 HG LEU 39 -4.363 -11.325 0.140 315 HD11 LEU 39 1HD1 LEU 39 -4.598 -14.014 -1.188 316 HD12 LEU 39 2HD1 LEU 39 -5.920 -12.919 -0.778 317 HD13 LEU 39 3HD1 LEU 39 -4.970 -13.670 0.501 318 HD21 LEU 39 3HD2 LEU 39 -2.648 -12.591 1.079 319 HD22 LEU 39 1HD2 LEU 39 -1.871 -11.767 -0.274 320 HD23 LEU 39 2HD2 LEU 39 -2.338 -13.460 -0.425 321 H ALA 40 H ALA 40 -1.834 -11.155 -4.338 322 HA ALA 40 HA ALA 40 -3.329 -9.576 -6.033 323 HB1 ALA 40 1HB ALA 40 -0.615 -10.126 -5.652 324 HB2 ALA 40 2HB ALA 40 -1.321 -8.849 -6.640 325 HB3 ALA 40 3HB ALA 40 -0.920 -10.407 -7.366 326 H LYS 41 H LYS 41 -1.840 -12.701 -6.787 327 HA LYS 41 HA LYS 41 -3.332 -12.909 -9.260 328 HB2 LYS 41 2HB LYS 41 -1.611 -15.068 -8.079 329 HB3 LYS 41 1HB LYS 41 -1.986 -14.768 -9.769 330 HG2 LYS 41 2HG LYS 41 -0.600 -12.789 -9.760 331 HG3 LYS 41 1HG LYS 41 -0.285 -12.987 -8.037 332 HD2 LYS 41 2HD LYS 41 0.353 -15.429 -9.363 333 HD3 LYS 41 1HD LYS 41 1.130 -14.101 -10.228 334 HE2 LYS 41 2HE LYS 41 1.640 -13.421 -7.650 335 HE3 LYS 41 1HE LYS 41 1.655 -15.182 -7.546 336 HZ1 LYS 41 3HZ LYS 41 3.231 -13.633 -9.527 337 HZ2 LYS 41 1HZ LYS 41 3.341 -15.290 -9.203 338 HZ3 LYS 41 2HZ LYS 41 3.846 -14.166 -8.044 339 H GLU 42 H GLU 42 -3.582 -13.983 -5.986 340 HA GLU 42 HA GLU 42 -5.179 -16.286 -6.506 341 HB2 GLU 42 2HB GLU 42 -3.960 -15.033 -4.239 342 HB3 GLU 42 1HB GLU 42 -5.615 -15.447 -3.859 343 HG2 GLU 42 2HG GLU 42 -4.054 -17.528 -5.228 344 HG3 GLU 42 1HG GLU 42 -3.552 -17.131 -3.585 345 H LEU 43 H LEU 43 -6.197 -13.333 -4.696 346 HA LEU 43 HA LEU 43 -8.852 -13.776 -5.895 347 HB2 LEU 43 2HB LEU 43 -9.649 -12.501 -3.763 348 HB3 LEU 43 1HB LEU 43 -9.353 -14.224 -3.733 349 HG LEU 43 HG LEU 43 -8.523 -12.922 -1.748 350 HD11 LEU 43 1HD1 LEU 43 -7.420 -15.093 -3.115 351 HD12 LEU 43 2HD1 LEU 43 -7.204 -14.663 -1.418 352 HD13 LEU 43 3HD1 LEU 43 -6.057 -14.088 -2.627 353 HD21 LEU 43 3HD2 LEU 43 -6.097 -12.144 -3.236 354 HD22 LEU 43 1HD2 LEU 43 -6.902 -11.362 -1.878 355 HD23 LEU 43 2HD2 LEU 43 -7.531 -11.156 -3.511 356 H SER 44 H SER 44 -6.307 -11.581 -5.784 357 HA SER 44 HA SER 44 -7.717 -9.133 -5.748 358 HB2 SER 44 2HB SER 44 -5.040 -10.047 -6.335 359 HB3 SER 44 1HB SER 44 -5.524 -8.784 -7.451 360 HG SER 44 HG SER 44 -4.678 -7.761 -5.705 361 H ILE 45 H ILE 45 -9.055 -8.261 -7.189 362 HA ILE 45 HA ILE 45 -9.246 -9.515 -9.834 363 HB ILE 45 HB ILE 45 -11.537 -8.714 -9.881 364 HG12 ILE 45 2HG1 ILE 45 -11.611 -7.846 -7.077 365 HG13 ILE 45 1HG1 ILE 45 -10.678 -6.775 -8.112 366 HG21 ILE 45 1HG2 ILE 45 -11.054 -9.931 -7.178 367 HG22 ILE 45 2HG2 ILE 45 -10.841 -10.839 -8.677 368 HG23 ILE 45 3HG2 ILE 45 -12.424 -10.182 -8.260 369 HD11 ILE 45 3HD1 ILE 45 -13.543 -7.179 -7.924 370 HD12 ILE 45 1HD1 ILE 45 -12.939 -7.201 -9.581 371 HD13 ILE 45 2HD1 ILE 45 -12.622 -5.808 -8.546 372 H ASP 46 H ASP 46 -8.700 -6.433 -8.268 373 HA ASP 46 HA ASP 46 -8.534 -5.212 -10.943 374 HB2 ASP 46 2HB ASP 46 -10.545 -4.487 -9.640 375 HB3 ASP 46 1HB ASP 46 -9.453 -3.774 -8.459 376 H GLY 47 H GLY 47 -6.343 -5.228 -11.217 377 HA2 GLY 47 2HA GLY 47 -4.883 -3.108 -10.166 378 HA3 GLY 47 1HA GLY 47 -4.464 -4.523 -9.215 379 H GLY 48 H GLY 48 -2.970 -2.804 -11.196 380 HA2 GLY 48 2HA GLY 48 -2.395 -4.586 -13.393 381 HA3 GLY 48 1HA GLY 48 -1.567 -3.077 -13.024 382 H SER 49 H SER 49 -0.802 -3.546 -10.430 383 HA SER 49 HA SER 49 1.562 -5.009 -10.795 384 HB2 SER 49 2HB SER 49 0.215 -3.934 -8.322 385 HB3 SER 49 1HB SER 49 1.781 -4.744 -8.279 386 HG SER 49 HG SER 49 1.621 -2.305 -8.553 387 H ALA 50 H ALA 50 -1.486 -6.257 -10.527 388 HA ALA 50 HA ALA 50 -1.430 -8.255 -8.645 389 HB1 ALA 50 1HB ALA 50 -3.145 -9.250 -9.809 390 HB2 ALA 50 2HB ALA 50 -2.420 -8.888 -11.380 391 HB3 ALA 50 3HB ALA 50 -3.199 -7.605 -10.452 392 H LYS 51 H LYS 51 0.384 -8.036 -11.605 393 HA LYS 51 HA LYS 51 1.176 -10.817 -11.511 394 HB2 LYS 51 2HB LYS 51 2.611 -10.114 -13.501 395 HB3 LYS 51 1HB LYS 51 0.877 -10.083 -13.655 396 HG2 LYS 51 2HG LYS 51 1.715 -8.163 -14.734 397 HG3 LYS 51 1HG LYS 51 0.902 -7.645 -13.261 398 HD2 LYS 51 2HD LYS 51 3.516 -8.084 -12.477 399 HD3 LYS 51 1HD LYS 51 3.666 -7.348 -14.065 400 HE2 LYS 51 2HE LYS 51 1.674 -5.920 -12.715 401 HE3 LYS 51 1HE LYS 51 2.977 -6.142 -11.560 402 HZ1 LYS 51 3HZ LYS 51 4.415 -4.905 -12.797 403 HZ2 LYS 51 1HZ LYS 51 2.968 -4.138 -13.224 404 HZ3 LYS 51 2HZ LYS 51 3.666 -5.271 -14.269 405 H ARG 52 H ARG 52 2.286 -7.829 -10.445 406 HA ARG 52 HA ARG 52 4.977 -8.885 -9.909 407 HB2 ARG 52 2HB ARG 52 5.799 -6.701 -9.735 408 HB3 ARG 52 1HB ARG 52 4.670 -6.632 -11.073 409 HG2 ARG 52 2HG ARG 52 3.012 -5.580 -9.681 410 HG3 ARG 52 1HG ARG 52 4.035 -5.767 -8.261 411 HD2 ARG 52 2HD ARG 52 4.792 -3.719 -8.710 412 HD3 ARG 52 1HD ARG 52 5.676 -4.461 -10.043 413 HE ARG 52 HE ARG 52 2.970 -3.681 -10.675 414 HH11 ARG 52 1HH1 ARG 52 6.318 -2.694 -10.595 415 HH12 ARG 52 2HH1 ARG 52 6.111 -1.462 -11.794 416 HH21 ARG 52 1HH2 ARG 52 2.699 -2.060 -12.249 417 HH22 ARG 52 2HH2 ARG 52 4.058 -1.101 -12.731 418 H ASP 53 H ASP 53 2.504 -9.541 -8.400 419 HA ASP 53 HA ASP 53 2.080 -10.131 -6.248 420 HB2 ASP 53 2HB ASP 53 3.791 -10.264 -4.759 421 HB3 ASP 53 1HB ASP 53 4.756 -9.870 -6.169 422 H GLY 54 H GLY 54 1.739 -7.243 -7.562 423 HA2 GLY 54 2HA GLY 54 0.333 -5.498 -7.024 424 HA3 GLY 54 1HA GLY 54 -0.037 -6.326 -5.518 425 H SER 55 H SER 55 3.263 -5.682 -6.342 426 HA SER 55 HA SER 55 3.717 -4.251 -3.949 427 HB2 SER 55 2HB SER 55 5.989 -3.998 -4.718 428 HB3 SER 55 1HB SER 55 5.434 -5.610 -5.172 429 HG SER 55 HG SER 55 6.562 -4.186 -6.807 430 H LEU 56 H LEU 56 2.313 -2.481 -3.917 431 HA LEU 56 HA LEU 56 2.080 -0.562 -5.949 432 HB2 LEU 56 2HB LEU 56 1.658 -0.385 -2.972 433 HB3 LEU 56 1HB LEU 56 1.337 0.955 -4.041 434 HG LEU 56 HG LEU 56 -0.091 -1.684 -3.893 435 HD11 LEU 56 1HD1 LEU 56 -0.607 1.045 -3.059 436 HD12 LEU 56 2HD1 LEU 56 -1.421 -0.453 -2.605 437 HD13 LEU 56 3HD1 LEU 56 -1.897 0.398 -4.073 438 HD21 LEU 56 3HD2 LEU 56 -1.432 -0.453 -5.842 439 HD22 LEU 56 1HD2 LEU 56 -0.111 -1.579 -6.159 440 HD23 LEU 56 2HD2 LEU 56 0.183 0.160 -6.192 441 H GLY 57 H GLY 57 4.495 -1.076 -3.508 442 HA2 GLY 57 2HA GLY 57 6.553 -0.104 -3.204 443 HA3 GLY 57 1HA GLY 57 6.336 0.671 -4.764 444 H TYR 58 H TYR 58 7.571 2.343 -3.396 445 HA TYR 58 HA TYR 58 6.304 3.750 -1.341 446 HB2 TYR 58 2HB TYR 58 7.923 5.465 -3.085 447 HB3 TYR 58 1HB TYR 58 8.076 5.151 -1.366 448 HD1 TYR 58 1HD TYR 58 9.008 3.962 -4.732 449 HD2 TYR 58 2HD TYR 58 9.638 3.530 -0.546 450 HE1 TYR 58 1HE TYR 58 11.001 2.594 -5.180 451 HE2 TYR 58 2HE TYR 58 11.636 2.165 -0.984 452 HH TYR 58 HH TYR 58 13.126 1.990 -3.980 453 H PHE 59 H PHE 59 4.539 4.888 -1.325 454 HA PHE 59 HA PHE 59 3.830 6.473 -3.692 455 HB2 PHE 59 2HB PHE 59 2.167 4.500 -2.247 456 HB3 PHE 59 1HB PHE 59 1.382 6.016 -2.650 457 HD1 PHE 59 1HD PHE 59 3.794 3.791 -4.437 458 HD2 PHE 59 2HD PHE 59 0.052 5.814 -4.492 459 HE1 PHE 59 1HE PHE 59 3.404 3.002 -6.735 460 HE2 PHE 59 2HE PHE 59 -0.347 5.025 -6.787 461 HZ PHE 59 HZ PHE 59 1.331 3.617 -7.911 462 H GLY 60 H GLY 60 2.367 8.289 -3.110 463 HA2 GLY 60 2HA GLY 60 2.677 9.106 -0.308 464 HA3 GLY 60 1HA GLY 60 3.273 10.171 -1.570 465 H ARG 61 H ARG 61 1.661 11.550 -0.263 466 HA ARG 61 HA ARG 61 -1.117 11.112 -0.702 467 HB2 ARG 61 2HB ARG 61 -1.386 13.376 0.254 468 HB3 ARG 61 1HB ARG 61 -0.386 12.340 1.263 469 HG2 ARG 61 2HG ARG 61 1.506 13.527 -0.257 470 HG3 ARG 61 1HG ARG 61 0.294 14.807 -0.178 471 HD2 ARG 61 2HD ARG 61 0.449 13.824 2.420 472 HD3 ARG 61 1HD ARG 61 2.119 13.856 1.859 473 HE ARG 61 HE ARG 61 1.193 16.284 1.132 474 HH11 ARG 61 1HH1 ARG 61 1.136 14.532 4.150 475 HH12 ARG 61 2HH1 ARG 61 1.180 15.963 5.124 476 HH21 ARG 61 1HH2 ARG 61 1.250 18.166 2.412 477 HH22 ARG 61 2HH2 ARG 61 1.243 18.026 4.139 478 H GLY 62 H GLY 62 -1.302 10.880 -2.927 479 HA2 GLY 62 2HA GLY 62 -2.248 12.781 -4.458 480 HA3 GLY 62 1HA GLY 62 -0.545 13.154 -4.589 481 H LYS 63 H LYS 63 -1.961 9.922 -4.397 482 HA LYS 63 HA LYS 63 -1.506 9.489 -7.238 483 HB2 LYS 63 2HB LYS 63 0.253 8.493 -5.125 484 HB3 LYS 63 1HB LYS 63 -0.355 7.218 -6.171 485 HG2 LYS 63 2HG LYS 63 0.892 7.875 -7.909 486 HG3 LYS 63 1HG LYS 63 0.611 9.589 -7.594 487 HD2 LYS 63 2HD LYS 63 2.521 9.801 -6.438 488 HD3 LYS 63 1HD LYS 63 2.269 8.284 -5.571 489 HE2 LYS 63 2HE LYS 63 3.446 7.065 -7.084 490 HE3 LYS 63 1HE LYS 63 2.968 8.086 -8.440 491 HZ1 LYS 63 3HZ LYS 63 5.140 8.673 -8.251 492 HZ2 LYS 63 1HZ LYS 63 5.208 8.386 -6.584 493 HZ3 LYS 63 2HZ LYS 63 4.486 9.798 -7.172 494 H MET 64 H MET 64 -2.406 7.982 -4.143 495 HA MET 64 HA MET 64 -4.265 6.219 -5.561 496 HB2 MET 64 2HB MET 64 -3.729 6.163 -2.603 497 HB3 MET 64 1HB MET 64 -4.320 4.867 -3.634 498 HG2 MET 64 2HG MET 64 -2.031 5.025 -4.787 499 HG3 MET 64 1HG MET 64 -1.540 5.929 -3.356 500 HE1 MET 64 3HE MET 64 -1.901 3.720 -0.476 501 HE2 MET 64 1HE MET 64 -1.608 5.306 -1.191 502 HE3 MET 64 2HE MET 64 -0.325 4.096 -1.177 503 H VAL 65 H VAL 65 -6.396 5.826 -4.413 504 HA VAL 65 HA VAL 65 -7.889 8.203 -4.371 505 HB VAL 65 HB VAL 65 -9.750 6.828 -3.525 506 HG11 VAL 65 1HG1 VAL 65 -9.525 4.988 -5.366 507 HG12 VAL 65 2HG1 VAL 65 -8.069 5.884 -5.804 508 HG13 VAL 65 3HG1 VAL 65 -9.639 6.688 -5.821 509 HG21 VAL 65 3HG2 VAL 65 -9.508 4.822 -2.525 510 HG22 VAL 65 1HG2 VAL 65 -7.863 5.379 -2.240 511 HG23 VAL 65 2HG2 VAL 65 -8.210 4.326 -3.608 512 H LYS 66 H LYS 66 -9.194 9.019 -2.546 513 HA LYS 66 HA LYS 66 -7.579 9.771 -0.392 514 HB2 LYS 66 2HB LYS 66 -10.274 10.278 -1.302 515 HB3 LYS 66 1HB LYS 66 -10.222 10.143 0.449 516 HG2 LYS 66 2HG LYS 66 -8.406 11.828 0.477 517 HG3 LYS 66 1HG LYS 66 -8.609 12.018 -1.266 518 HD2 LYS 66 2HD LYS 66 -9.935 13.727 -0.488 519 HD3 LYS 66 1HD LYS 66 -11.117 12.422 -0.619 520 HE2 LYS 66 2HE LYS 66 -11.378 12.260 1.620 521 HE3 LYS 66 1HE LYS 66 -9.679 12.596 1.948 522 HZ1 LYS 66 3HZ LYS 66 -11.699 14.310 2.407 523 HZ2 LYS 66 1HZ LYS 66 -11.157 14.841 0.895 524 HZ3 LYS 66 2HZ LYS 66 -10.084 14.768 2.199 525 HA PRO 67 HA PRO 67 -10.165 6.680 2.329 526 HB2 PRO 67 2HB PRO 67 -11.022 4.466 0.909 527 HB3 PRO 67 1HB PRO 67 -12.047 5.797 1.411 528 HG2 PRO 67 2HG PRO 67 -10.887 5.184 -1.235 529 HG3 PRO 67 1HG PRO 67 -12.383 6.038 -0.834 530 HD2 PRO 67 2HD PRO 67 -10.090 7.256 -1.703 531 HD3 PRO 67 1HD PRO 67 -11.330 8.054 -0.735 532 H PHE 68 H PHE 68 -8.564 5.324 -0.507 533 HA PHE 68 HA PHE 68 -7.282 3.214 0.948 534 HB2 PHE 68 2HB PHE 68 -7.816 3.237 -1.550 535 HB3 PHE 68 1HB PHE 68 -6.415 4.285 -1.736 536 HD1 PHE 68 1HD PHE 68 -4.169 3.439 -1.365 537 HD2 PHE 68 2HD PHE 68 -7.568 0.899 -1.053 538 HE1 PHE 68 1HE PHE 68 -2.701 1.468 -1.493 539 HE2 PHE 68 2HE PHE 68 -6.106 -1.078 -1.178 540 HZ PHE 68 HZ PHE 68 -3.671 -0.793 -1.400 541 H GLU 69 H GLU 69 -6.100 6.243 -0.520 542 HA GLU 69 HA GLU 69 -3.456 6.054 0.350 543 HB2 GLU 69 2HB GLU 69 -4.516 7.716 -1.298 544 HB3 GLU 69 1HB GLU 69 -4.938 8.665 0.122 545 HG2 GLU 69 2HG GLU 69 -2.140 7.843 0.054 546 HG3 GLU 69 1HG GLU 69 -2.617 8.865 -1.301 547 H ASP 70 H ASP 70 -6.342 7.121 2.003 548 HA ASP 70 HA ASP 70 -5.140 8.427 4.179 549 HB2 ASP 70 2HB ASP 70 -7.804 7.189 3.660 550 HB3 ASP 70 1HB ASP 70 -7.380 7.572 5.326 551 H ALA 71 H ALA 71 -6.285 5.074 3.852 552 HA ALA 71 HA ALA 71 -5.275 4.291 6.413 553 HB1 ALA 71 1HB ALA 71 -5.765 1.952 5.470 554 HB2 ALA 71 2HB ALA 71 -6.460 2.811 4.095 555 HB3 ALA 71 3HB ALA 71 -7.119 3.057 5.712 556 H ALA 72 H ALA 72 -3.764 4.853 3.465 557 HA ALA 72 HA ALA 72 -1.864 2.758 3.408 558 HB1 ALA 72 1HB ALA 72 -1.453 5.527 2.304 559 HB2 ALA 72 2HB ALA 72 -2.459 4.311 1.514 560 HB3 ALA 72 3HB ALA 72 -0.736 4.015 1.748 561 H PHE 73 H PHE 73 -1.672 6.085 4.647 562 HA PHE 73 HA PHE 73 0.909 5.507 5.873 563 HB2 PHE 73 2HB PHE 73 0.799 7.960 6.495 564 HB3 PHE 73 1HB PHE 73 0.829 7.614 4.769 565 HD1 PHE 73 1HD PHE 73 -1.543 8.264 7.559 566 HD2 PHE 73 2HD PHE 73 -0.760 8.561 3.388 567 HE1 PHE 73 1HE PHE 73 -3.617 9.555 7.266 568 HE2 PHE 73 2HE PHE 73 -2.833 9.851 3.087 569 HZ PHE 73 HZ PHE 73 -4.264 10.346 5.026 570 H ARG 74 H ARG 74 -1.890 4.534 6.807 571 HA ARG 74 HA ARG 74 -1.817 5.633 9.526 572 HB2 ARG 74 2HB ARG 74 -3.935 4.939 7.779 573 HB3 ARG 74 1HB ARG 74 -3.988 3.803 9.118 574 HG2 ARG 74 2HG ARG 74 -4.422 5.443 10.673 575 HG3 ARG 74 1HG ARG 74 -3.718 6.720 9.676 576 HD2 ARG 74 2HD ARG 74 -5.754 5.900 8.091 577 HD3 ARG 74 1HD ARG 74 -6.443 5.604 9.687 578 HE ARG 74 HE ARG 74 -5.261 8.193 9.492 579 HH11 ARG 74 1HH1 ARG 74 -8.118 6.352 8.700 580 HH12 ARG 74 2HH1 ARG 74 -9.158 7.736 8.686 581 HH21 ARG 74 1HH2 ARG 74 -6.628 10.014 9.476 582 HH22 ARG 74 2HH2 ARG 74 -8.312 9.816 9.128 583 H LEU 75 H LEU 75 -1.322 2.735 7.675 584 HA LEU 75 HA LEU 75 -0.970 1.181 10.137 585 HB2 LEU 75 2HB LEU 75 -1.445 0.424 7.281 586 HB3 LEU 75 1HB LEU 75 -0.792 -0.739 8.408 587 HG LEU 75 HG LEU 75 -3.537 0.346 8.188 588 HD11 LEU 75 1HD1 LEU 75 -2.209 -2.258 8.834 589 HD12 LEU 75 2HD1 LEU 75 -3.228 -1.845 7.454 590 HD13 LEU 75 3HD1 LEU 75 -3.940 -2.008 9.060 591 HD21 LEU 75 3HD2 LEU 75 -2.318 -0.434 10.837 592 HD22 LEU 75 1HD2 LEU 75 -4.040 -0.216 10.530 593 HD23 LEU 75 2HD2 LEU 75 -2.941 1.158 10.402 594 H GLN 76 H GLN 76 1.020 2.852 9.994 595 HA GLN 76 HA GLN 76 3.226 2.137 8.400 596 HB2 GLN 76 2HB GLN 76 2.873 3.686 10.936 597 HB3 GLN 76 1HB GLN 76 4.497 3.235 10.433 598 HG2 GLN 76 2HG GLN 76 3.653 4.251 8.136 599 HG3 GLN 76 1HG GLN 76 2.594 5.153 9.218 600 HE21 GLN 76 1HE2 GLN 76 6.000 4.147 9.092 601 HE22 GLN 76 2HE2 GLN 76 6.647 5.681 9.551 602 H VAL 77 H VAL 77 1.780 0.683 11.128 603 HA VAL 77 HA VAL 77 3.950 -0.674 12.284 604 HB VAL 77 HB VAL 77 1.919 -0.666 13.508 605 HG11 VAL 77 1HG1 VAL 77 0.724 -1.404 10.917 606 HG12 VAL 77 2HG1 VAL 77 0.112 -0.356 12.195 607 HG13 VAL 77 3HG1 VAL 77 -0.030 -2.107 12.348 608 HG21 VAL 77 3HG2 VAL 77 1.598 -3.467 12.689 609 HG22 VAL 77 1HG2 VAL 77 1.986 -2.779 14.268 610 HG23 VAL 77 2HG2 VAL 77 3.259 -2.996 13.066 611 H GLY 78 H GLY 78 2.135 -1.210 9.371 612 HA2 GLY 78 2HA GLY 78 2.952 -2.516 7.572 613 HA3 GLY 78 1HA GLY 78 3.913 -3.427 8.715 614 H GLU 79 H GLU 79 0.471 -2.664 8.418 615 HA GLU 79 HA GLU 79 -0.075 -5.551 8.358 616 HB2 GLU 79 2HB GLU 79 -0.220 -4.370 10.672 617 HB3 GLU 79 1HB GLU 79 -1.726 -3.735 10.059 618 HG2 GLU 79 2HG GLU 79 -1.485 -6.596 9.665 619 HG3 GLU 79 1HG GLU 79 -1.350 -6.130 11.361 620 H VAL 80 H VAL 80 -2.581 -5.835 8.063 621 HA VAL 80 HA VAL 80 -3.227 -4.311 5.707 622 HB VAL 80 HB VAL 80 -4.843 -6.507 7.004 623 HG11 VAL 80 1HG1 VAL 80 -5.061 -5.043 4.396 624 HG12 VAL 80 2HG1 VAL 80 -6.308 -5.345 5.607 625 HG13 VAL 80 3HG1 VAL 80 -5.723 -6.665 4.593 626 HG21 VAL 80 3HG2 VAL 80 -3.000 -6.731 4.626 627 HG22 VAL 80 1HG2 VAL 80 -3.865 -8.034 5.446 628 HG23 VAL 80 2HG2 VAL 80 -2.550 -7.193 6.270 629 H SER 81 H SER 81 -5.123 -3.060 5.423 630 HA SER 81 HA SER 81 -6.133 -1.967 7.954 631 HB2 SER 81 2HB SER 81 -6.295 -0.723 5.203 632 HB3 SER 81 1HB SER 81 -6.636 0.059 6.747 633 HG SER 81 HG SER 81 -4.607 0.636 6.522 634 H GLU 82 H GLU 82 -8.365 -1.162 7.950 635 HA GLU 82 HA GLU 82 -10.209 -3.161 7.620 636 HB2 GLU 82 2HB GLU 82 -10.631 -0.175 7.684 637 HB3 GLU 82 1HB GLU 82 -11.937 -1.346 7.801 638 HG2 GLU 82 2HG GLU 82 -11.542 -1.724 9.953 639 HG3 GLU 82 1HG GLU 82 -9.806 -1.887 9.692 640 HA PRO 83 HA PRO 83 -11.521 -3.574 3.462 641 HB2 PRO 83 2HB PRO 83 -14.279 -3.382 3.805 642 HB3 PRO 83 1HB PRO 83 -13.327 -4.859 3.972 643 HG2 PRO 83 2HG PRO 83 -14.320 -2.989 6.079 644 HG3 PRO 83 1HG PRO 83 -14.204 -4.759 6.109 645 HD2 PRO 83 2HD PRO 83 -12.425 -3.241 7.402 646 HD3 PRO 83 1HD PRO 83 -11.922 -4.724 6.564 647 H VAL 84 H VAL 84 -10.905 -1.773 2.360 648 HA VAL 84 HA VAL 84 -12.551 0.650 2.594 649 HB VAL 84 HB VAL 84 -9.900 0.266 1.191 650 HG11 VAL 84 1HG1 VAL 84 -11.473 2.781 1.747 651 HG12 VAL 84 2HG1 VAL 84 -11.255 2.016 0.171 652 HG13 VAL 84 3HG1 VAL 84 -9.868 2.702 1.018 653 HG21 VAL 84 3HG2 VAL 84 -10.622 1.319 3.901 654 HG22 VAL 84 1HG2 VAL 84 -9.145 1.827 3.080 655 HG23 VAL 84 2HG2 VAL 84 -9.402 0.123 3.462 656 H LYS 85 H LYS 85 -14.271 0.521 1.279 657 HA LYS 85 HA LYS 85 -13.982 -0.640 -1.383 658 HB2 LYS 85 2HB LYS 85 -15.905 -1.408 -0.194 659 HB3 LYS 85 1HB LYS 85 -16.377 0.230 0.233 660 HG2 LYS 85 2HG LYS 85 -17.755 -0.823 -1.553 661 HG3 LYS 85 1HG LYS 85 -17.018 0.715 -2.006 662 HD2 LYS 85 2HD LYS 85 -15.420 -0.331 -3.373 663 HD3 LYS 85 1HD LYS 85 -15.714 -1.914 -2.651 664 HE2 LYS 85 2HE LYS 85 -18.067 -0.681 -3.896 665 HE3 LYS 85 1HE LYS 85 -16.760 -1.055 -5.016 666 HZ1 LYS 85 3HZ LYS 85 -18.412 -2.870 -4.687 667 HZ2 LYS 85 1HZ LYS 85 -17.869 -3.019 -3.091 668 HZ3 LYS 85 2HZ LYS 85 -16.812 -3.323 -4.376 669 H SER 86 H SER 86 -13.333 0.666 -2.951 670 HA SER 86 HA SER 86 -14.152 3.493 -2.869 671 HB2 SER 86 2HB SER 86 -11.693 2.108 -3.748 672 HB3 SER 86 1HB SER 86 -12.237 3.414 -4.801 673 HG SER 86 HG SER 86 -11.049 3.551 -2.380 674 H GLU 87 H GLU 87 -13.944 4.314 -5.382 675 HA GLU 87 HA GLU 87 -16.283 3.417 -6.619 676 HB2 GLU 87 2HB GLU 87 -15.506 4.725 -8.584 677 HB3 GLU 87 1HB GLU 87 -15.416 5.620 -7.074 678 HG2 GLU 87 2HG GLU 87 -12.938 4.606 -7.136 679 HG3 GLU 87 1HG GLU 87 -13.267 4.698 -8.865 680 H PHE 88 H PHE 88 -13.099 2.129 -6.684 681 HA PHE 88 HA PHE 88 -13.504 0.667 -9.157 682 HB2 PHE 88 2HB PHE 88 -11.241 1.250 -7.369 683 HB3 PHE 88 1HB PHE 88 -11.214 -0.359 -8.079 684 HD1 PHE 88 1HD PHE 88 -12.040 -0.188 -10.723 685 HD2 PHE 88 2HD PHE 88 -9.926 2.747 -8.480 686 HE1 PHE 88 1HE PHE 88 -11.136 0.750 -12.809 687 HE2 PHE 88 2HE PHE 88 -9.019 3.690 -10.563 688 HZ PHE 88 HZ PHE 88 -9.624 2.692 -12.732 689 H GLY 89 H GLY 89 -13.304 0.002 -5.679 690 HA2 GLY 89 2HA GLY 89 -15.108 -2.039 -5.533 691 HA3 GLY 89 1HA GLY 89 -13.630 -2.839 -6.040 692 H TYR 90 H TYR 90 -13.972 -3.993 -4.007 693 HA TYR 90 HA TYR 90 -13.526 -2.567 -1.546 694 HB2 TYR 90 2HB TYR 90 -14.469 -5.154 -2.385 695 HB3 TYR 90 1HB TYR 90 -13.218 -5.351 -1.176 696 HD1 TYR 90 1HD TYR 90 -16.412 -3.587 -1.849 697 HD2 TYR 90 2HD TYR 90 -13.734 -5.063 1.106 698 HE1 TYR 90 1HE TYR 90 -18.069 -3.081 -0.105 699 HE2 TYR 90 2HE TYR 90 -15.387 -4.567 2.857 700 HH TYR 90 HH TYR 90 -18.633 -3.721 2.139 701 H HIS 91 H HIS 91 -11.536 -1.666 -1.530 702 HA HIS 91 HA HIS 91 -9.211 -3.062 -2.475 703 HB2 HIS 91 2HB HIS 91 -9.577 -0.399 -1.107 704 HB3 HIS 91 1HB HIS 91 -8.019 -1.006 -1.655 705 HD1 HIS 91 1HD HIS 91 -11.450 -0.457 -3.222 706 HD2 HIS 91 2HD HIS 91 -7.409 -0.085 -4.112 707 HE1 HIS 91 1HE HIS 91 -11.360 0.505 -5.543 708 HE2 HIS 91 2HE HIS 91 -8.905 0.654 -6.089 709 H VAL 92 H VAL 92 -7.204 -3.018 -1.142 710 HA VAL 92 HA VAL 92 -7.488 -3.403 1.708 711 HB VAL 92 HB VAL 92 -6.489 -5.695 0.007 712 HG11 VAL 92 1HG1 VAL 92 -7.172 -5.856 2.910 713 HG12 VAL 92 2HG1 VAL 92 -5.605 -5.225 2.405 714 HG13 VAL 92 3HG1 VAL 92 -6.082 -6.863 1.956 715 HG21 VAL 92 3HG2 VAL 92 -8.519 -6.886 0.811 716 HG22 VAL 92 1HG2 VAL 92 -8.869 -5.546 -0.279 717 HG23 VAL 92 2HG2 VAL 92 -9.110 -5.357 1.458 718 H ILE 93 H ILE 93 -5.725 -2.508 2.606 719 HA ILE 93 HA ILE 93 -3.338 -2.190 0.923 720 HB ILE 93 HB ILE 93 -3.464 -0.701 3.464 721 HG12 ILE 93 2HG1 ILE 93 -5.454 -0.284 1.244 722 HG13 ILE 93 1HG1 ILE 93 -5.743 -0.362 2.975 723 HG21 ILE 93 1HG2 ILE 93 -2.422 1.008 2.183 724 HG22 ILE 93 2HG2 ILE 93 -2.888 0.243 0.664 725 HG23 ILE 93 3HG2 ILE 93 -1.687 -0.522 1.704 726 HD11 ILE 93 3HD1 ILE 93 -6.011 1.896 2.175 727 HD12 ILE 93 1HD1 ILE 93 -4.382 1.879 1.498 728 HD13 ILE 93 2HD1 ILE 93 -4.612 1.799 3.245 729 H LYS 94 H LYS 94 -1.593 -3.330 1.332 730 HA LYS 94 HA LYS 94 -1.066 -4.209 4.088 731 HB2 LYS 94 2HB LYS 94 -1.894 -6.026 2.402 732 HB3 LYS 94 1HB LYS 94 -0.270 -5.912 1.748 733 HG2 LYS 94 2HG LYS 94 -1.034 -6.678 4.553 734 HG3 LYS 94 1HG LYS 94 -0.364 -7.728 3.303 735 HD2 LYS 94 2HD LYS 94 1.679 -6.298 3.295 736 HD3 LYS 94 1HD LYS 94 1.008 -5.419 4.670 737 HE2 LYS 94 2HE LYS 94 1.534 -7.048 6.116 738 HE3 LYS 94 1HE LYS 94 1.007 -8.320 5.016 739 HZ1 LYS 94 3HZ LYS 94 3.189 -7.670 3.776 740 HZ2 LYS 94 1HZ LYS 94 3.243 -8.708 5.110 741 HZ3 LYS 94 2HZ LYS 94 3.651 -7.078 5.290 742 H ARG 95 H ARG 95 0.731 -3.255 4.761 743 HA ARG 95 HA ARG 95 2.476 -1.813 3.143 744 HB2 ARG 95 2HB ARG 95 2.086 -2.012 5.814 745 HB3 ARG 95 1HB ARG 95 3.615 -2.861 5.652 746 HG2 ARG 95 2HG ARG 95 4.464 -0.795 5.900 747 HG3 ARG 95 1HG ARG 95 4.154 -0.697 4.166 748 HD2 ARG 95 2HD ARG 95 2.409 0.335 6.396 749 HD3 ARG 95 1HD ARG 95 3.304 1.287 5.216 750 HE ARG 95 HE ARG 95 1.727 0.717 3.579 751 HH11 ARG 95 1HH1 ARG 95 0.937 -0.703 6.677 752 HH12 ARG 95 2HH1 ARG 95 -0.697 -1.054 6.232 753 HH21 ARG 95 1HH2 ARG 95 -0.424 0.261 3.009 754 HH22 ARG 95 2HH2 ARG 95 -1.470 -0.506 4.156 755 H LEU 96 H LEU 96 4.303 -2.193 2.130 756 HA LEU 96 HA LEU 96 5.912 -4.493 2.553 757 HB2 LEU 96 2HB LEU 96 5.363 -5.752 0.789 758 HB3 LEU 96 1HB LEU 96 3.822 -4.948 0.916 759 HG LEU 96 HG LEU 96 4.830 -3.253 -0.773 760 HD11 LEU 96 1HD1 LEU 96 7.042 -3.716 -1.051 761 HD12 LEU 96 2HD1 LEU 96 6.380 -4.736 -2.331 762 HD13 LEU 96 3HD1 LEU 96 6.826 -5.447 -0.781 763 HD21 LEU 96 3HD2 LEU 96 3.240 -4.258 -1.943 764 HD22 LEU 96 1HD2 LEU 96 3.479 -5.777 -1.080 765 HD23 LEU 96 2HD2 LEU 96 4.457 -5.406 -2.500 766 H GLY 97 H GLY 97 7.865 -3.654 2.453 767 HA2 GLY 97 2HA GLY 97 8.692 -2.092 0.167 768 HA3 GLY 97 1HA GLY 97 8.689 -1.213 1.683 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 15.267 4.090 11.519 2 H2 GLY 1 2HT GLY 1 16.483 4.631 12.562 3 H3 GLY 1 3HT GLY 1 16.138 2.981 12.453 4 HA2 GLY 1 1HA GLY 1 17.618 2.733 10.848 5 HA3 GLY 1 2HA GLY 1 16.703 3.870 9.871 6 HA PRO 2 HA PRO 2 20.949 5.607 11.041 7 HB2 PRO 2 2HB PRO 2 21.993 5.719 8.538 8 HB3 PRO 2 1HB PRO 2 22.163 4.307 9.586 9 HG2 PRO 2 2HG PRO 2 20.233 4.783 7.349 10 HG3 PRO 2 1HG PRO 2 21.161 3.322 7.733 11 HD2 PRO 2 2HD PRO 2 18.550 3.603 8.389 12 HD3 PRO 2 1HD PRO 2 19.687 2.667 9.381 13 H MET 3 H MET 3 21.992 7.590 9.839 14 HA MET 3 HA MET 3 20.005 9.617 9.748 15 HB2 MET 3 2HB MET 3 22.964 9.533 9.297 16 HB3 MET 3 1HB MET 3 22.063 10.974 8.845 17 HG2 MET 3 2HG MET 3 21.461 11.439 11.040 18 HG3 MET 3 1HG MET 3 21.797 9.796 11.581 19 HE1 MET 3 3HE MET 3 24.025 10.426 13.702 20 HE2 MET 3 1HE MET 3 22.512 11.291 13.437 21 HE3 MET 3 2HE MET 3 24.030 12.182 13.539 22 H GLY 4 H GLY 4 18.825 10.321 8.093 23 HA2 GLY 4 2HA GLY 4 18.654 11.100 5.822 24 HA3 GLY 4 1HA GLY 4 19.822 9.871 5.358 25 H SER 5 H SER 5 16.906 9.552 7.352 26 HA SER 5 HA SER 5 16.091 7.194 5.992 27 HB2 SER 5 2HB SER 5 15.474 7.441 8.295 28 HB3 SER 5 1HB SER 5 14.676 8.981 7.977 29 HG SER 5 HG SER 5 13.351 6.951 8.148 30 H MET 6 H MET 6 14.119 6.879 4.803 31 HA MET 6 HA MET 6 12.957 9.263 3.573 32 HB2 MET 6 2HB MET 6 14.910 8.290 2.190 33 HB3 MET 6 1HB MET 6 13.813 6.963 1.835 34 HG2 MET 6 2HG MET 6 12.198 8.933 1.165 35 HG3 MET 6 1HG MET 6 13.720 9.798 0.956 36 HE1 MET 6 3HE MET 6 13.999 10.008 -1.884 37 HE2 MET 6 1HE MET 6 15.154 8.710 -2.188 38 HE3 MET 6 2HE MET 6 15.243 9.638 -0.691 39 H ALA 7 H ALA 7 11.218 8.535 5.020 40 HA ALA 7 HA ALA 7 9.647 6.370 3.782 41 HB1 ALA 7 1HB ALA 7 9.149 6.999 6.627 42 HB2 ALA 7 2HB ALA 7 10.659 6.169 6.248 43 HB3 ALA 7 3HB ALA 7 9.116 5.452 5.781 44 H ASP 8 H ASP 8 9.669 9.323 3.329 45 HA ASP 8 HA ASP 8 7.500 10.619 4.486 46 HB2 ASP 8 2HB ASP 8 8.683 10.848 1.714 47 HB3 ASP 8 1HB ASP 8 7.436 11.936 2.320 48 H LYS 9 H LYS 9 7.617 8.660 1.542 49 HA LYS 9 HA LYS 9 4.733 8.666 1.349 50 HB2 LYS 9 2HB LYS 9 4.931 8.015 -0.829 51 HB3 LYS 9 1HB LYS 9 6.437 8.876 -0.616 52 HG2 LYS 9 2HG LYS 9 6.287 5.934 -0.213 53 HG3 LYS 9 1HG LYS 9 6.465 6.629 -1.820 54 HD2 LYS 9 2HD LYS 9 8.277 7.674 0.271 55 HD3 LYS 9 1HD LYS 9 8.565 6.017 -0.247 56 HE2 LYS 9 2HE LYS 9 8.307 7.101 -2.641 57 HE3 LYS 9 1HE LYS 9 8.779 8.561 -1.772 58 HZ1 LYS 9 3HZ LYS 9 10.374 6.141 -1.358 59 HZ2 LYS 9 1HZ LYS 9 10.856 7.762 -1.369 60 HZ3 LYS 9 2HZ LYS 9 10.553 6.959 -2.827 61 H ILE 10 H ILE 10 3.838 6.352 0.603 62 HA ILE 10 HA ILE 10 4.598 4.612 2.849 63 HB ILE 10 HB ILE 10 2.047 4.097 1.423 64 HG12 ILE 10 2HG1 ILE 10 1.970 6.527 1.673 65 HG13 ILE 10 1HG1 ILE 10 0.875 5.756 2.819 66 HG21 ILE 10 1HG2 ILE 10 2.703 4.142 4.360 67 HG22 ILE 10 2HG2 ILE 10 2.953 2.741 3.318 68 HG23 ILE 10 3HG2 ILE 10 1.327 3.373 3.569 69 HD11 ILE 10 3HD1 ILE 10 1.925 6.642 4.546 70 HD12 ILE 10 1HD1 ILE 10 2.810 7.639 3.389 71 HD13 ILE 10 2HD1 ILE 10 3.494 6.109 3.945 72 H LYS 11 H LYS 11 4.741 2.463 2.601 73 HA LYS 11 HA LYS 11 4.996 1.501 -0.154 74 HB2 LYS 11 2HB LYS 11 6.735 0.419 2.036 75 HB3 LYS 11 1HB LYS 11 7.021 0.471 0.298 76 HG2 LYS 11 2HG LYS 11 8.000 2.476 0.383 77 HG3 LYS 11 1HG LYS 11 6.829 3.145 1.532 78 HD2 LYS 11 2HD LYS 11 8.794 3.114 2.764 79 HD3 LYS 11 1HD LYS 11 8.050 1.583 3.231 80 HE2 LYS 11 2HE LYS 11 9.921 0.561 2.600 81 HE3 LYS 11 1HE LYS 11 9.540 1.011 0.938 82 HZ1 LYS 11 3HZ LYS 11 11.054 2.668 0.945 83 HZ2 LYS 11 1HZ LYS 11 11.784 1.719 2.142 84 HZ3 LYS 11 2HZ LYS 11 10.829 3.044 2.579 85 H CYS 12 H CYS 12 2.772 0.816 0.199 86 HA CYS 12 HA CYS 12 2.642 -1.636 1.817 87 HB2 CYS 12 2HB CYS 12 0.256 0.045 1.081 88 HB3 CYS 12 1HB CYS 12 0.331 -1.263 2.247 89 HG CYS 12 HG CYS 12 2.146 0.876 3.196 90 H SER 13 H SER 13 0.584 -2.954 0.989 91 HA SER 13 HA SER 13 1.047 -3.432 -1.874 92 HB2 SER 13 2HB SER 13 1.567 -5.233 -0.067 93 HB3 SER 13 1HB SER 13 -0.182 -5.447 -0.011 94 HG SER 13 HG SER 13 1.283 -5.531 -2.429 95 H HIS 14 H HIS 14 -0.871 -4.322 -3.073 96 HA HIS 14 HA HIS 14 -3.376 -3.188 -2.028 97 HB2 HIS 14 2HB HIS 14 -2.652 -1.649 -3.685 98 HB3 HIS 14 1HB HIS 14 -2.204 -2.940 -4.794 99 HD1 HIS 14 1HD HIS 14 -5.506 -2.405 -2.999 100 HD2 HIS 14 2HD HIS 14 -3.949 -2.599 -6.844 101 HE1 HIS 14 1HE HIS 14 -7.493 -2.286 -4.534 102 HE2 HIS 14 2HE HIS 14 -6.517 -2.296 -6.857 103 H ILE 15 H ILE 15 -5.234 -4.243 -2.382 104 HA ILE 15 HA ILE 15 -5.336 -6.587 -4.081 105 HB ILE 15 HB ILE 15 -5.569 -6.748 -1.082 106 HG12 ILE 15 2HG1 ILE 15 -4.177 -8.902 -1.812 107 HG13 ILE 15 1HG1 ILE 15 -3.809 -7.884 -3.193 108 HG21 ILE 15 1HG2 ILE 15 -7.284 -8.153 -1.294 109 HG22 ILE 15 2HG2 ILE 15 -6.157 -9.277 -2.054 110 HG23 ILE 15 3HG2 ILE 15 -7.128 -8.194 -3.050 111 HD11 ILE 15 3HD1 ILE 15 -2.854 -7.742 -0.445 112 HD12 ILE 15 1HD1 ILE 15 -3.377 -6.189 -1.101 113 HD13 ILE 15 2HD1 ILE 15 -2.137 -7.127 -1.934 114 H LEU 16 H LEU 16 -7.203 -6.449 -5.137 115 HA LEU 16 HA LEU 16 -9.454 -5.063 -3.834 116 HB2 LEU 16 2HB LEU 16 -8.196 -4.699 -6.361 117 HB3 LEU 16 1HB LEU 16 -9.832 -5.245 -6.647 118 HG LEU 16 HG LEU 16 -9.282 -2.954 -4.791 119 HD11 LEU 16 1HD1 LEU 16 -8.423 -1.850 -6.541 120 HD12 LEU 16 2HD1 LEU 16 -10.092 -1.773 -7.104 121 HD13 LEU 16 3HD1 LEU 16 -9.017 -3.033 -7.706 122 HD21 LEU 16 3HD2 LEU 16 -11.623 -4.222 -6.052 123 HD22 LEU 16 1HD2 LEU 16 -11.628 -2.459 -6.012 124 HD23 LEU 16 2HD2 LEU 16 -11.478 -3.376 -4.512 125 H VAL 17 H VAL 17 -11.396 -6.011 -3.680 126 HA VAL 17 HA VAL 17 -12.074 -8.329 -5.288 127 HB VAL 17 HB VAL 17 -12.721 -9.655 -3.259 128 HG11 VAL 17 1HG1 VAL 17 -10.439 -9.689 -4.649 129 HG12 VAL 17 2HG1 VAL 17 -10.749 -10.776 -3.296 130 HG13 VAL 17 3HG1 VAL 17 -9.788 -9.317 -3.053 131 HG21 VAL 17 3HG2 VAL 17 -11.778 -7.268 -1.954 132 HG22 VAL 17 1HG2 VAL 17 -10.896 -8.681 -1.382 133 HG23 VAL 17 2HG2 VAL 17 -12.653 -8.643 -1.283 134 H LYS 18 H LYS 18 -14.224 -8.402 -5.691 135 HA LYS 18 HA LYS 18 -15.861 -6.256 -4.753 136 HB2 LYS 18 2HB LYS 18 -17.672 -7.474 -6.047 137 HB3 LYS 18 1HB LYS 18 -16.266 -6.981 -6.977 138 HG2 LYS 18 2HG LYS 18 -16.131 -9.687 -5.843 139 HG3 LYS 18 1HG LYS 18 -17.373 -9.438 -7.070 140 HD2 LYS 18 2HD LYS 18 -15.854 -9.075 -8.729 141 HD3 LYS 18 1HD LYS 18 -14.666 -8.365 -7.636 142 HE2 LYS 18 2HE LYS 18 -15.360 -11.297 -7.685 143 HE3 LYS 18 1HE LYS 18 -14.027 -10.591 -8.600 144 HZ1 LYS 18 3HZ LYS 18 -14.335 -10.542 -5.646 145 HZ2 LYS 18 1HZ LYS 18 -13.070 -9.818 -6.506 146 HZ3 LYS 18 2HZ LYS 18 -13.247 -11.499 -6.517 147 H LYS 19 H LYS 19 -15.523 -9.653 -3.993 148 HA LYS 19 HA LYS 19 -17.839 -9.801 -2.330 149 HB2 LYS 19 2HB LYS 19 -16.725 -11.924 -1.490 150 HB3 LYS 19 1HB LYS 19 -17.081 -11.866 -3.210 151 HG2 LYS 19 2HG LYS 19 -14.787 -11.413 -3.730 152 HG3 LYS 19 1HG LYS 19 -14.394 -11.258 -2.019 153 HD2 LYS 19 2HD LYS 19 -14.835 -13.583 -1.639 154 HD3 LYS 19 1HD LYS 19 -15.477 -13.774 -3.272 155 HE2 LYS 19 2HE LYS 19 -12.686 -12.790 -2.914 156 HE3 LYS 19 1HE LYS 19 -13.023 -14.507 -2.694 157 HZ1 LYS 19 3HZ LYS 19 -14.013 -13.145 -5.102 158 HZ2 LYS 19 1HZ LYS 19 -13.590 -14.770 -4.885 159 HZ3 LYS 19 2HZ LYS 19 -12.383 -13.591 -5.022 160 H GLN 20 H GLN 20 -17.536 -7.883 -1.131 161 HA GLN 20 HA GLN 20 -15.449 -7.025 0.350 162 HB2 GLN 20 2HB GLN 20 -17.529 -5.791 0.175 163 HB3 GLN 20 1HB GLN 20 -18.363 -6.999 1.142 164 HG2 GLN 20 2HG GLN 20 -16.672 -6.405 2.977 165 HG3 GLN 20 1HG GLN 20 -16.337 -4.974 2.008 166 HE21 GLN 20 1HE2 GLN 20 -19.086 -4.741 1.064 167 HE22 GLN 20 2HE2 GLN 20 -20.004 -4.145 2.400 168 H GLY 21 H GLY 21 -17.377 -9.855 1.075 169 HA2 GLY 21 2HA GLY 21 -16.680 -10.007 3.822 170 HA3 GLY 21 1HA GLY 21 -17.235 -11.351 2.832 171 H GLU 22 H GLU 22 -15.083 -11.018 0.873 172 HA GLU 22 HA GLU 22 -13.119 -12.644 2.142 173 HB2 GLU 22 2HB GLU 22 -12.197 -12.898 0.058 174 HB3 GLU 22 1HB GLU 22 -13.827 -12.456 -0.397 175 HG2 GLU 22 2HG GLU 22 -12.598 -11.152 -1.791 176 HG3 GLU 22 1HG GLU 22 -12.793 -10.063 -0.421 177 H ALA 23 H ALA 23 -13.293 -9.298 1.116 178 HA ALA 23 HA ALA 23 -10.745 -8.387 1.519 179 HB1 ALA 23 1HB ALA 23 -12.436 -6.923 0.648 180 HB2 ALA 23 2HB ALA 23 -11.791 -6.197 2.121 181 HB3 ALA 23 3HB ALA 23 -13.355 -7.010 2.153 182 H LEU 24 H LEU 24 -13.262 -8.973 3.930 183 HA LEU 24 HA LEU 24 -11.707 -8.054 6.154 184 HB2 LEU 24 2HB LEU 24 -14.370 -8.626 5.727 185 HB3 LEU 24 1HB LEU 24 -13.855 -9.954 6.751 186 HG LEU 24 HG LEU 24 -14.817 -8.017 7.989 187 HD11 LEU 24 1HD1 LEU 24 -13.635 -8.825 9.679 188 HD12 LEU 24 2HD1 LEU 24 -12.238 -7.876 9.171 189 HD13 LEU 24 3HD1 LEU 24 -12.471 -9.509 8.546 190 HD21 LEU 24 3HD2 LEU 24 -12.462 -6.372 7.943 191 HD22 LEU 24 1HD2 LEU 24 -14.140 -5.934 7.627 192 HD23 LEU 24 2HD2 LEU 24 -13.125 -6.536 6.318 193 H ALA 25 H ALA 25 -12.117 -11.080 4.493 194 HA ALA 25 HA ALA 25 -10.975 -12.687 6.581 195 HB1 ALA 25 1HB ALA 25 -12.433 -13.911 5.286 196 HB2 ALA 25 2HB ALA 25 -10.876 -14.380 4.602 197 HB3 ALA 25 3HB ALA 25 -11.876 -13.181 3.779 198 H VAL 26 H VAL 26 -9.847 -11.611 3.374 199 HA VAL 26 HA VAL 26 -7.346 -12.783 3.407 200 HB VAL 26 HB VAL 26 -6.642 -11.231 1.741 201 HG11 VAL 26 1HG1 VAL 26 -9.600 -11.732 1.448 202 HG12 VAL 26 2HG1 VAL 26 -8.312 -12.868 1.053 203 HG13 VAL 26 3HG1 VAL 26 -8.474 -11.370 0.140 204 HG21 VAL 26 3HG2 VAL 26 -7.205 -9.143 2.770 205 HG22 VAL 26 1HG2 VAL 26 -8.930 -9.498 2.656 206 HG23 VAL 26 2HG2 VAL 26 -7.990 -9.215 1.191 207 H GLN 27 H GLN 27 -8.345 -9.708 4.867 208 HA GLN 27 HA GLN 27 -5.837 -8.684 5.445 209 HB2 GLN 27 2HB GLN 27 -6.891 -7.398 7.225 210 HB3 GLN 27 1HB GLN 27 -7.924 -7.432 5.802 211 HG2 GLN 27 2HG GLN 27 -9.290 -9.155 6.835 212 HG3 GLN 27 1HG GLN 27 -8.273 -9.112 8.270 213 HE21 GLN 27 1HE2 GLN 27 -9.600 -6.535 6.232 214 HE22 GLN 27 2HE2 GLN 27 -10.433 -5.720 7.508 215 H GLU 28 H GLU 28 -7.830 -10.804 7.508 216 HA GLU 28 HA GLU 28 -5.764 -11.157 9.447 217 HB2 GLU 28 2HB GLU 28 -7.684 -11.597 10.540 218 HB3 GLU 28 1HB GLU 28 -8.538 -12.014 9.064 219 HG2 GLU 28 2HG GLU 28 -7.692 -14.252 9.138 220 HG3 GLU 28 1HG GLU 28 -6.645 -13.860 10.501 221 H ARG 29 H ARG 29 -6.766 -12.805 6.550 222 HA ARG 29 HA ARG 29 -5.303 -15.217 7.052 223 HB2 ARG 29 2HB ARG 29 -7.285 -15.239 5.652 224 HB3 ARG 29 1HB ARG 29 -6.544 -14.105 4.536 225 HG2 ARG 29 2HG ARG 29 -6.289 -16.110 3.448 226 HG3 ARG 29 1HG ARG 29 -4.731 -15.928 4.260 227 HD2 ARG 29 2HD ARG 29 -5.041 -17.858 5.312 228 HD3 ARG 29 1HD ARG 29 -6.518 -17.232 6.047 229 HE ARG 29 HE ARG 29 -7.334 -17.959 3.581 230 HH11 ARG 29 1HH1 ARG 29 -5.547 -19.627 6.071 231 HH12 ARG 29 2HH1 ARG 29 -6.139 -21.191 5.624 232 HH21 ARG 29 1HH2 ARG 29 -8.118 -20.015 2.994 233 HH22 ARG 29 2HH2 ARG 29 -7.599 -21.412 3.877 234 H LEU 30 H LEU 30 -4.618 -12.172 5.517 235 HA LEU 30 HA LEU 30 -2.462 -12.860 3.899 236 HB2 LEU 30 2HB LEU 30 -3.704 -10.643 4.082 237 HB3 LEU 30 1HB LEU 30 -2.676 -10.283 5.449 238 HG LEU 30 HG LEU 30 -1.787 -9.190 3.511 239 HD11 LEU 30 1HD1 LEU 30 0.418 -9.829 3.674 240 HD12 LEU 30 2HD1 LEU 30 0.026 -11.546 3.763 241 HD13 LEU 30 3HD1 LEU 30 -0.262 -10.503 5.156 242 HD21 LEU 30 3HD2 LEU 30 -2.540 -11.668 2.204 243 HD22 LEU 30 1HD2 LEU 30 -0.914 -11.145 1.769 244 HD23 LEU 30 2HD2 LEU 30 -2.284 -10.061 1.524 245 H LYS 31 H LYS 31 -2.338 -11.548 7.215 246 HA LYS 31 HA LYS 31 0.448 -12.082 7.505 247 HB2 LYS 31 2HB LYS 31 0.155 -11.390 9.812 248 HB3 LYS 31 1HB LYS 31 -0.703 -10.291 8.744 249 HG2 LYS 31 2HG LYS 31 -2.372 -12.482 9.669 250 HG3 LYS 31 1HG LYS 31 -1.723 -11.506 10.988 251 HD2 LYS 31 2HD LYS 31 -2.550 -9.674 9.040 252 HD3 LYS 31 1HD LYS 31 -3.824 -10.892 9.112 253 HE2 LYS 31 2HE LYS 31 -4.353 -9.170 10.685 254 HE3 LYS 31 1HE LYS 31 -3.863 -10.604 11.587 255 HZ1 LYS 31 3HZ LYS 31 -2.025 -9.594 12.368 256 HZ2 LYS 31 1HZ LYS 31 -2.901 -8.177 12.063 257 HZ3 LYS 31 2HZ LYS 31 -1.749 -8.716 10.948 258 H ALA 32 H ALA 32 -2.222 -14.113 7.578 259 HA ALA 32 HA ALA 32 -1.679 -15.847 9.693 260 HB1 ALA 32 1HB ALA 32 -3.436 -16.977 8.902 261 HB2 ALA 32 2HB ALA 32 -2.692 -17.195 7.318 262 HB3 ALA 32 3HB ALA 32 -3.556 -15.704 7.688 263 H GLY 33 H GLY 33 -0.121 -15.475 6.620 264 HA2 GLY 33 2HA GLY 33 2.226 -16.656 7.112 265 HA3 GLY 33 1HA GLY 33 1.198 -18.032 6.758 266 H GLU 34 H GLU 34 -0.312 -16.083 4.865 267 HA GLU 34 HA GLU 34 1.335 -16.755 2.564 268 HB2 GLU 34 2HB GLU 34 -0.588 -16.067 1.218 269 HB3 GLU 34 1HB GLU 34 -1.058 -17.232 2.451 270 HG2 GLU 34 2HG GLU 34 -1.885 -15.379 3.848 271 HG3 GLU 34 1HG GLU 34 -1.478 -14.253 2.556 272 H LYS 35 H LYS 35 1.777 -15.209 0.885 273 HA LYS 35 HA LYS 35 2.476 -12.606 2.013 274 HB2 LYS 35 2HB LYS 35 4.052 -14.306 0.692 275 HB3 LYS 35 1HB LYS 35 3.419 -13.415 -0.684 276 HG2 LYS 35 2HG LYS 35 4.298 -11.368 0.121 277 HG3 LYS 35 1HG LYS 35 4.681 -12.076 1.691 278 HD2 LYS 35 2HD LYS 35 6.745 -12.048 0.638 279 HD3 LYS 35 1HD LYS 35 6.178 -13.689 0.321 280 HE2 LYS 35 2HE LYS 35 5.259 -11.873 -1.721 281 HE3 LYS 35 1HE LYS 35 7.012 -11.786 -1.550 282 HZ1 LYS 35 3HZ LYS 35 6.034 -14.479 -1.532 283 HZ2 LYS 35 1HZ LYS 35 7.254 -13.780 -2.473 284 HZ3 LYS 35 2HZ LYS 35 5.640 -13.662 -2.961 285 H PHE 36 H PHE 36 1.931 -10.686 1.096 286 HA PHE 36 HA PHE 36 -0.552 -10.319 -0.006 287 HB2 PHE 36 2HB PHE 36 0.576 -8.114 -0.943 288 HB3 PHE 36 1HB PHE 36 0.343 -8.348 0.787 289 HD1 PHE 36 1HD PHE 36 2.853 -8.800 -1.919 290 HD2 PHE 36 2HD PHE 36 2.147 -8.198 2.234 291 HE1 PHE 36 1HE PHE 36 5.268 -8.504 -1.555 292 HE2 PHE 36 2HE PHE 36 4.562 -7.897 2.605 293 HZ PHE 36 HZ PHE 36 6.127 -8.052 0.709 294 H GLY 37 H GLY 37 2.481 -10.950 -1.656 295 HA2 GLY 37 2HA GLY 37 1.715 -10.315 -4.274 296 HA3 GLY 37 1HA GLY 37 2.950 -11.486 -3.837 297 H LYS 38 H LYS 38 1.146 -13.205 -2.356 298 HA LYS 38 HA LYS 38 0.275 -14.860 -4.480 299 HB2 LYS 38 2HB LYS 38 -0.131 -14.916 -1.502 300 HB3 LYS 38 1HB LYS 38 -0.939 -16.076 -2.544 301 HG2 LYS 38 2HG LYS 38 0.877 -17.324 -2.217 302 HG3 LYS 38 1HG LYS 38 1.629 -16.267 -3.416 303 HD2 LYS 38 2HD LYS 38 1.872 -14.865 -1.042 304 HD3 LYS 38 1HD LYS 38 2.162 -16.540 -0.572 305 HE2 LYS 38 2HE LYS 38 3.526 -15.276 -2.927 306 HE3 LYS 38 1HE LYS 38 4.175 -15.160 -1.292 307 HZ1 LYS 38 3HZ LYS 38 3.695 -17.795 -1.526 308 HZ2 LYS 38 1HZ LYS 38 5.192 -17.064 -1.822 309 HZ3 LYS 38 2HZ LYS 38 4.147 -17.403 -3.108 310 H LEU 39 H LEU 39 -1.559 -13.024 -2.045 311 HA LEU 39 HA LEU 39 -4.119 -13.577 -2.930 312 HB2 LEU 39 2HB LEU 39 -3.036 -11.056 -1.685 313 HB3 LEU 39 1HB LEU 39 -4.738 -11.347 -1.944 314 HG LEU 39 HG LEU 39 -4.205 -11.790 0.359 315 HD11 LEU 39 1HD1 LEU 39 -5.011 -14.064 0.572 316 HD12 LEU 39 2HD1 LEU 39 -4.627 -14.376 -1.120 317 HD13 LEU 39 3HD1 LEU 39 -5.880 -13.208 -0.699 318 HD21 LEU 39 3HD2 LEU 39 -2.573 -13.301 1.118 319 HD22 LEU 39 1HD2 LEU 39 -1.771 -12.331 -0.116 320 HD23 LEU 39 2HD2 LEU 39 -2.318 -13.964 -0.495 321 H ALA 40 H ALA 40 -1.792 -11.247 -4.145 322 HA ALA 40 HA ALA 40 -3.369 -9.610 -5.698 323 HB1 ALA 40 1HB ALA 40 -1.048 -9.140 -5.461 324 HB2 ALA 40 2HB ALA 40 -1.366 -9.381 -7.179 325 HB3 ALA 40 3HB ALA 40 -0.602 -10.661 -6.237 326 H LYS 41 H LYS 41 -1.801 -12.618 -6.731 327 HA LYS 41 HA LYS 41 -3.368 -12.688 -9.164 328 HB2 LYS 41 2HB LYS 41 -2.053 -14.678 -9.711 329 HB3 LYS 41 1HB LYS 41 -1.013 -13.338 -9.247 330 HG2 LYS 41 2HG LYS 41 -1.278 -14.527 -6.866 331 HG3 LYS 41 1HG LYS 41 -1.480 -15.928 -7.918 332 HD2 LYS 41 2HD LYS 41 0.757 -14.081 -8.530 333 HD3 LYS 41 1HD LYS 41 0.911 -15.087 -7.087 334 HE2 LYS 41 2HE LYS 41 -0.032 -16.488 -9.492 335 HE3 LYS 41 1HE LYS 41 1.614 -15.864 -9.591 336 HZ1 LYS 41 3HZ LYS 41 1.208 -18.210 -8.642 337 HZ2 LYS 41 1HZ LYS 41 0.762 -17.397 -7.226 338 HZ3 LYS 41 2HZ LYS 41 2.315 -17.194 -7.865 339 H GLU 42 H GLU 42 -3.492 -14.019 -5.980 340 HA GLU 42 HA GLU 42 -4.963 -16.366 -6.606 341 HB2 GLU 42 2HB GLU 42 -3.841 -15.133 -4.291 342 HB3 GLU 42 1HB GLU 42 -5.485 -15.603 -3.931 343 HG2 GLU 42 2HG GLU 42 -3.331 -17.397 -5.011 344 HG3 GLU 42 1HG GLU 42 -3.915 -17.356 -3.348 345 H LEU 43 H LEU 43 -6.199 -13.574 -4.693 346 HA LEU 43 HA LEU 43 -8.795 -14.071 -6.002 347 HB2 LEU 43 2HB LEU 43 -9.775 -13.052 -3.852 348 HB3 LEU 43 1HB LEU 43 -9.237 -14.719 -3.840 349 HG LEU 43 HG LEU 43 -8.654 -13.366 -1.805 350 HD11 LEU 43 1HD1 LEU 43 -7.265 -15.349 -3.121 351 HD12 LEU 43 2HD1 LEU 43 -7.023 -14.828 -1.454 352 HD13 LEU 43 3HD1 LEU 43 -6.027 -14.149 -2.745 353 HD21 LEU 43 3HD2 LEU 43 -8.002 -11.357 -3.322 354 HD22 LEU 43 1HD2 LEU 43 -6.437 -12.164 -3.408 355 HD23 LEU 43 2HD2 LEU 43 -7.090 -11.671 -1.847 356 H SER 44 H SER 44 -6.363 -11.775 -5.447 357 HA SER 44 HA SER 44 -7.877 -9.406 -5.405 358 HB2 SER 44 2HB SER 44 -5.081 -10.169 -5.861 359 HB3 SER 44 1HB SER 44 -5.554 -8.680 -6.652 360 HG SER 44 HG SER 44 -5.202 -9.217 -3.993 361 H ILE 45 H ILE 45 -9.015 -8.398 -6.925 362 HA ILE 45 HA ILE 45 -8.910 -9.402 -9.672 363 HB ILE 45 HB ILE 45 -10.961 -7.921 -9.961 364 HG12 ILE 45 2HG1 ILE 45 -11.493 -8.032 -7.075 365 HG13 ILE 45 1HG1 ILE 45 -10.209 -6.914 -7.520 366 HG21 ILE 45 1HG2 ILE 45 -12.282 -9.696 -9.485 367 HG22 ILE 45 2HG2 ILE 45 -11.613 -9.900 -7.867 368 HG23 ILE 45 3HG2 ILE 45 -10.723 -10.492 -9.269 369 HD11 ILE 45 3HD1 ILE 45 -11.708 -5.421 -8.137 370 HD12 ILE 45 1HD1 ILE 45 -12.992 -6.527 -7.650 371 HD13 ILE 45 2HD1 ILE 45 -12.388 -6.553 -9.309 372 H ASP 46 H ASP 46 -7.418 -7.070 -7.939 373 HA ASP 46 HA ASP 46 -7.595 -4.678 -9.233 374 HB2 ASP 46 2HB ASP 46 -5.292 -4.254 -8.546 375 HB3 ASP 46 1HB ASP 46 -6.169 -5.088 -7.269 376 H GLY 47 H GLY 47 -6.956 -3.808 -11.127 377 HA2 GLY 47 2HA GLY 47 -6.513 -5.468 -13.347 378 HA3 GLY 47 1HA GLY 47 -6.297 -3.724 -13.324 379 H GLY 48 H GLY 48 -4.618 -4.731 -14.912 380 HA2 GLY 48 2HA GLY 48 -2.449 -6.006 -14.878 381 HA3 GLY 48 1HA GLY 48 -2.264 -4.286 -15.132 382 H SER 49 H SER 49 -2.646 -3.380 -12.469 383 HA SER 49 HA SER 49 -0.098 -3.537 -11.432 384 HB2 SER 49 2HB SER 49 -2.719 -2.643 -10.438 385 HB3 SER 49 1HB SER 49 -1.566 -3.078 -9.174 386 HG SER 49 HG SER 49 -0.095 -1.616 -10.101 387 H ALA 50 H ALA 50 -2.579 -5.925 -11.242 388 HA ALA 50 HA ALA 50 -1.691 -7.228 -8.869 389 HB1 ALA 50 1HB ALA 50 -3.930 -7.438 -10.326 390 HB2 ALA 50 2HB ALA 50 -3.388 -8.684 -9.202 391 HB3 ALA 50 3HB ALA 50 -3.055 -8.842 -10.929 392 H LYS 51 H LYS 51 -0.568 -7.145 -12.107 393 HA LYS 51 HA LYS 51 0.742 -9.680 -12.136 394 HB2 LYS 51 2HB LYS 51 0.394 -7.430 -13.920 395 HB3 LYS 51 1HB LYS 51 2.061 -7.976 -13.928 396 HG2 LYS 51 2HG LYS 51 1.564 -9.888 -14.994 397 HG3 LYS 51 1HG LYS 51 0.065 -10.117 -14.090 398 HD2 LYS 51 2HD LYS 51 -0.599 -7.971 -15.577 399 HD3 LYS 51 1HD LYS 51 0.540 -8.764 -16.667 400 HE2 LYS 51 2HE LYS 51 -0.747 -10.854 -16.448 401 HE3 LYS 51 1HE LYS 51 -1.903 -10.016 -15.413 402 HZ1 LYS 51 3HZ LYS 51 -1.871 -8.422 -17.553 403 HZ2 LYS 51 1HZ LYS 51 -2.969 -9.693 -17.347 404 HZ3 LYS 51 2HZ LYS 51 -1.584 -9.917 -18.292 405 H ARG 52 H ARG 52 1.302 -6.809 -10.529 406 HA ARG 52 HA ARG 52 4.185 -7.266 -10.309 407 HB2 ARG 52 2HB ARG 52 3.119 -4.893 -8.968 408 HB3 ARG 52 1HB ARG 52 4.450 -5.046 -10.100 409 HG2 ARG 52 2HG ARG 52 2.475 -5.319 -11.836 410 HG3 ARG 52 1HG ARG 52 1.610 -4.400 -10.604 411 HD2 ARG 52 2HD ARG 52 2.475 -2.589 -11.586 412 HD3 ARG 52 1HD ARG 52 3.984 -3.046 -10.798 413 HE ARG 52 HE ARG 52 4.831 -3.668 -12.836 414 HH11 ARG 52 1HH1 ARG 52 1.380 -3.223 -13.119 415 HH12 ARG 52 2HH1 ARG 52 1.380 -3.346 -14.847 416 HH21 ARG 52 1HH2 ARG 52 4.831 -3.831 -15.108 417 HH22 ARG 52 2HH2 ARG 52 3.339 -3.692 -15.975 418 H ASP 53 H ASP 53 2.002 -8.814 -9.012 419 HA ASP 53 HA ASP 53 1.511 -9.796 -7.044 420 HB2 ASP 53 2HB ASP 53 3.260 -10.207 -5.526 421 HB3 ASP 53 1HB ASP 53 4.057 -10.011 -7.080 422 H GLY 54 H GLY 54 0.651 -7.058 -7.544 423 HA2 GLY 54 2HA GLY 54 -0.454 -5.366 -6.461 424 HA3 GLY 54 1HA GLY 54 -0.667 -6.521 -5.157 425 H SER 55 H SER 55 2.565 -5.735 -6.052 426 HA SER 55 HA SER 55 3.047 -4.594 -3.460 427 HB2 SER 55 2HB SER 55 4.667 -5.588 -5.703 428 HB3 SER 55 1HB SER 55 5.367 -4.193 -4.881 429 HG SER 55 HG SER 55 6.072 -5.835 -3.679 430 H LEU 56 H LEU 56 1.947 -2.672 -3.346 431 HA LEU 56 HA LEU 56 1.997 -0.684 -5.352 432 HB2 LEU 56 2HB LEU 56 1.259 -0.713 -2.448 433 HB3 LEU 56 1HB LEU 56 1.284 0.791 -3.328 434 HG LEU 56 HG LEU 56 -0.523 -1.578 -3.710 435 HD11 LEU 56 1HD1 LEU 56 -0.809 1.277 -2.924 436 HD12 LEU 56 2HD1 LEU 56 -1.531 -0.168 -2.220 437 HD13 LEU 56 3HD1 LEU 56 -2.148 0.473 -3.742 438 HD21 LEU 56 3HD2 LEU 56 -0.278 -1.242 -5.930 439 HD22 LEU 56 1HD2 LEU 56 0.358 0.390 -5.724 440 HD23 LEU 56 2HD2 LEU 56 -1.380 0.101 -5.624 441 H GLY 57 H GLY 57 4.351 -1.696 -3.124 442 HA2 GLY 57 2HA GLY 57 6.319 -0.768 -2.364 443 HA3 GLY 57 1HA GLY 57 6.408 -0.114 -3.988 444 H TYR 58 H TYR 58 7.589 1.610 -2.870 445 HA TYR 58 HA TYR 58 6.205 3.305 -1.073 446 HB2 TYR 58 2HB TYR 58 8.027 4.935 -1.622 447 HB3 TYR 58 1HB TYR 58 8.553 3.407 -0.953 448 HD1 TYR 58 1HD TYR 58 9.748 1.786 -2.369 449 HD2 TYR 58 2HD TYR 58 8.541 5.579 -3.875 450 HE1 TYR 58 1HE TYR 58 11.262 1.499 -4.286 451 HE2 TYR 58 2HE TYR 58 10.050 5.300 -5.799 452 HH TYR 58 HH TYR 58 11.380 2.406 -6.691 453 H PHE 59 H PHE 59 4.508 4.428 -1.590 454 HA PHE 59 HA PHE 59 4.587 6.085 -3.997 455 HB2 PHE 59 2HB PHE 59 2.258 4.417 -3.071 456 HB3 PHE 59 1HB PHE 59 2.077 5.780 -4.155 457 HD1 PHE 59 1HD PHE 59 4.866 5.063 -5.534 458 HD2 PHE 59 2HD PHE 59 1.253 2.950 -4.750 459 HE1 PHE 59 1HE PHE 59 5.302 3.607 -7.465 460 HE2 PHE 59 2HE PHE 59 1.688 1.490 -6.680 461 HZ PHE 59 HZ PHE 59 3.713 1.817 -8.041 462 H GLY 60 H GLY 60 3.549 8.055 -3.764 463 HA2 GLY 60 2HA GLY 60 3.119 8.796 -0.949 464 HA3 GLY 60 1HA GLY 60 3.679 9.890 -2.197 465 H ARG 61 H ARG 61 1.819 11.102 -1.051 466 HA ARG 61 HA ARG 61 -0.831 10.309 -1.857 467 HB2 ARG 61 2HB ARG 61 0.022 12.891 -0.547 468 HB3 ARG 61 1HB ARG 61 -1.592 12.196 -0.580 469 HG2 ARG 61 2HG ARG 61 -1.092 10.613 1.014 470 HG3 ARG 61 1HG ARG 61 0.640 10.675 0.682 471 HD2 ARG 61 2HD ARG 61 -0.821 13.030 1.831 472 HD3 ARG 61 1HD ARG 61 -0.221 11.733 2.859 473 HE ARG 61 HE ARG 61 1.975 12.365 2.355 474 HH11 ARG 61 1HH1 ARG 61 -0.345 14.388 0.694 475 HH12 ARG 61 2HH1 ARG 61 0.814 15.621 0.329 476 HH21 ARG 61 1HH2 ARG 61 3.489 13.989 1.872 477 HH22 ARG 61 2HH2 ARG 61 2.985 15.396 0.995 478 H GLY 62 H GLY 62 -1.720 10.862 -3.726 479 HA2 GLY 62 2HA GLY 62 -2.049 13.159 -4.942 480 HA3 GLY 62 1HA GLY 62 -0.372 12.878 -5.349 481 H LYS 63 H LYS 63 -1.076 9.883 -5.396 482 HA LYS 63 HA LYS 63 -2.320 9.907 -8.069 483 HB2 LYS 63 2HB LYS 63 0.243 9.318 -7.689 484 HB3 LYS 63 1HB LYS 63 -0.425 7.735 -7.320 485 HG2 LYS 63 2HG LYS 63 0.051 7.602 -9.581 486 HG3 LYS 63 1HG LYS 63 -1.674 7.974 -9.556 487 HD2 LYS 63 2HD LYS 63 -1.376 10.046 -10.428 488 HD3 LYS 63 1HD LYS 63 0.168 10.287 -9.606 489 HE2 LYS 63 2HE LYS 63 -0.174 8.395 -11.921 490 HE3 LYS 63 1HE LYS 63 0.252 10.093 -12.131 491 HZ1 LYS 63 3HZ LYS 63 2.120 8.362 -12.005 492 HZ2 LYS 63 1HZ LYS 63 1.829 8.366 -10.336 493 HZ3 LYS 63 2HZ LYS 63 2.295 9.792 -11.118 494 H MET 64 H MET 64 -2.291 8.481 -4.914 495 HA MET 64 HA MET 64 -3.961 6.245 -5.746 496 HB2 MET 64 2HB MET 64 -3.301 6.904 -2.895 497 HB3 MET 64 1HB MET 64 -3.639 5.338 -3.613 498 HG2 MET 64 2HG MET 64 -1.513 5.230 -4.623 499 HG3 MET 64 1HG MET 64 -1.191 6.933 -4.299 500 HE1 MET 64 3HE MET 64 -1.635 3.463 -1.618 501 HE2 MET 64 1HE MET 64 -0.011 3.371 -2.299 502 HE3 MET 64 2HE MET 64 -1.408 3.502 -3.367 503 H VAL 65 H VAL 65 -5.984 5.790 -4.555 504 HA VAL 65 HA VAL 65 -7.749 7.999 -4.708 505 HB VAL 65 HB VAL 65 -9.484 6.488 -3.933 506 HG11 VAL 65 1HG1 VAL 65 -9.016 4.554 -5.562 507 HG12 VAL 65 2HG1 VAL 65 -7.516 5.412 -5.919 508 HG13 VAL 65 3HG1 VAL 65 -9.069 6.194 -6.207 509 HG21 VAL 65 3HG2 VAL 65 -7.554 5.342 -2.383 510 HG22 VAL 65 1HG2 VAL 65 -7.771 4.131 -3.644 511 HG23 VAL 65 2HG2 VAL 65 -9.149 4.657 -2.677 512 H LYS 66 H LYS 66 -9.036 8.916 -3.019 513 HA LYS 66 HA LYS 66 -7.561 9.795 -0.822 514 HB2 LYS 66 2HB LYS 66 -9.825 10.620 -2.022 515 HB3 LYS 66 1HB LYS 66 -10.508 9.875 -0.583 516 HG2 LYS 66 2HG LYS 66 -9.089 11.292 0.819 517 HG3 LYS 66 1HG LYS 66 -8.422 12.047 -0.630 518 HD2 LYS 66 2HD LYS 66 -10.396 13.151 -1.119 519 HD3 LYS 66 1HD LYS 66 -11.380 12.013 -0.198 520 HE2 LYS 66 2HE LYS 66 -10.757 12.960 1.852 521 HE3 LYS 66 1HE LYS 66 -9.380 13.802 1.144 522 HZ1 LYS 66 3HZ LYS 66 -11.158 15.041 -0.198 523 HZ2 LYS 66 1HZ LYS 66 -10.946 15.462 1.428 524 HZ3 LYS 66 2HZ LYS 66 -12.244 14.480 0.970 525 HA PRO 67 HA PRO 67 -10.227 6.816 1.935 526 HB2 PRO 67 2HB PRO 67 -11.005 4.511 0.653 527 HB3 PRO 67 1HB PRO 67 -12.054 5.888 0.938 528 HG2 PRO 67 2HG PRO 67 -10.634 5.053 -1.530 529 HG3 PRO 67 1HG PRO 67 -12.200 5.855 -1.353 530 HD2 PRO 67 2HD PRO 67 -9.925 7.137 -2.124 531 HD3 PRO 67 1HD PRO 67 -11.256 7.934 -1.281 532 H PHE 68 H PHE 68 -8.472 5.279 -0.715 533 HA PHE 68 HA PHE 68 -7.229 3.315 0.967 534 HB2 PHE 68 2HB PHE 68 -7.688 3.132 -1.551 535 HB3 PHE 68 1HB PHE 68 -6.259 4.138 -1.765 536 HD1 PHE 68 1HD PHE 68 -4.045 3.301 -1.096 537 HD2 PHE 68 2HD PHE 68 -7.509 0.832 -0.989 538 HE1 PHE 68 1HE PHE 68 -2.613 1.303 -1.003 539 HE2 PHE 68 2HE PHE 68 -6.082 -1.171 -0.891 540 HZ PHE 68 HZ PHE 68 -3.632 -0.937 -0.900 541 H GLU 69 H GLU 69 -6.085 6.257 -0.678 542 HA GLU 69 HA GLU 69 -3.443 6.192 0.221 543 HB2 GLU 69 2HB GLU 69 -4.461 7.708 -1.540 544 HB3 GLU 69 1HB GLU 69 -5.056 8.702 -0.219 545 HG2 GLU 69 2HG GLU 69 -2.418 8.456 0.412 546 HG3 GLU 69 1HG GLU 69 -2.373 8.474 -1.350 547 H ASP 70 H ASP 70 -6.375 7.245 1.792 548 HA ASP 70 HA ASP 70 -5.177 8.692 3.905 549 HB2 ASP 70 2HB ASP 70 -7.561 8.903 3.287 550 HB3 ASP 70 1HB ASP 70 -7.844 7.265 3.864 551 H ALA 71 H ALA 71 -6.360 5.345 3.696 552 HA ALA 71 HA ALA 71 -5.514 4.689 6.347 553 HB1 ALA 71 1HB ALA 71 -7.225 3.315 5.788 554 HB2 ALA 71 2HB ALA 71 -5.891 2.279 5.279 555 HB3 ALA 71 3HB ALA 71 -6.762 3.246 4.087 556 H ALA 72 H ALA 72 -3.812 5.069 3.473 557 HA ALA 72 HA ALA 72 -1.952 2.965 3.592 558 HB1 ALA 72 1HB ALA 72 -1.106 5.635 2.593 559 HB2 ALA 72 2HB ALA 72 -2.426 4.805 1.770 560 HB3 ALA 72 3HB ALA 72 -0.846 4.033 1.902 561 H PHE 73 H PHE 73 -1.866 6.229 4.979 562 HA PHE 73 HA PHE 73 0.671 5.659 6.283 563 HB2 PHE 73 2HB PHE 73 0.378 8.049 7.130 564 HB3 PHE 73 1HB PHE 73 0.591 7.839 5.396 565 HD1 PHE 73 1HD PHE 73 -1.874 8.539 8.045 566 HD2 PHE 73 2HD PHE 73 -1.087 8.481 3.863 567 HE1 PHE 73 1HE PHE 73 -3.951 9.794 7.642 568 HE2 PHE 73 2HE PHE 73 -3.162 9.738 3.451 569 HZ PHE 73 HZ PHE 73 -4.597 10.396 5.343 570 H ARG 74 H ARG 74 -2.085 4.460 7.046 571 HA ARG 74 HA ARG 74 -2.186 5.354 9.834 572 HB2 ARG 74 2HB ARG 74 -4.079 3.531 8.339 573 HB3 ARG 74 1HB ARG 74 -4.309 4.155 9.968 574 HG2 ARG 74 2HG ARG 74 -4.085 5.912 7.540 575 HG3 ARG 74 1HG ARG 74 -5.616 5.313 8.178 576 HD2 ARG 74 2HD ARG 74 -3.982 6.493 10.253 577 HD3 ARG 74 1HD ARG 74 -4.278 7.626 8.935 578 HE ARG 74 HE ARG 74 -6.732 6.613 9.420 579 HH11 ARG 74 1HH1 ARG 74 -4.302 8.031 11.486 580 HH12 ARG 74 2HH1 ARG 74 -5.452 8.669 12.610 581 HH21 ARG 74 1HH2 ARG 74 -8.245 7.454 10.898 582 HH22 ARG 74 2HH2 ARG 74 -7.692 8.342 12.278 583 H LEU 75 H LEU 75 -1.435 2.601 7.825 584 HA LEU 75 HA LEU 75 -0.960 0.967 10.214 585 HB2 LEU 75 2HB LEU 75 -1.229 0.231 7.312 586 HB3 LEU 75 1HB LEU 75 -0.735 -0.906 8.544 587 HG LEU 75 HG LEU 75 -3.415 0.169 7.931 588 HD11 LEU 75 1HD1 LEU 75 -3.132 -2.057 7.409 589 HD12 LEU 75 2HD1 LEU 75 -3.898 -2.134 8.997 590 HD13 LEU 75 3HD1 LEU 75 -2.157 -2.377 8.846 591 HD21 LEU 75 3HD2 LEU 75 -2.623 -0.487 10.770 592 HD22 LEU 75 1HD2 LEU 75 -4.248 -0.129 10.188 593 HD23 LEU 75 2HD2 LEU 75 -3.011 1.127 10.171 594 H GLN 76 H GLN 76 0.941 2.467 10.499 595 HA GLN 76 HA GLN 76 3.204 2.058 8.772 596 HB2 GLN 76 2HB GLN 76 2.697 3.534 11.322 597 HB3 GLN 76 1HB GLN 76 4.356 3.184 10.860 598 HG2 GLN 76 2HG GLN 76 3.425 4.196 8.546 599 HG3 GLN 76 1HG GLN 76 2.422 5.071 9.699 600 HE21 GLN 76 1HE2 GLN 76 3.423 7.023 9.189 601 HE22 GLN 76 2HE2 GLN 76 5.020 7.401 9.730 602 H VAL 77 H VAL 77 1.759 0.414 11.356 603 HA VAL 77 HA VAL 77 4.026 -0.825 12.531 604 HB VAL 77 HB VAL 77 2.047 -0.852 13.827 605 HG11 VAL 77 1HG1 VAL 77 0.244 -0.526 12.456 606 HG12 VAL 77 2HG1 VAL 77 0.030 -2.230 12.854 607 HG13 VAL 77 3HG1 VAL 77 0.749 -1.768 11.311 608 HG21 VAL 77 3HG2 VAL 77 1.746 -3.664 13.019 609 HG22 VAL 77 1HG2 VAL 77 2.154 -2.967 14.589 610 HG23 VAL 77 2HG2 VAL 77 3.404 -3.161 13.360 611 H GLY 78 H GLY 78 2.141 -1.449 9.678 612 HA2 GLY 78 2HA GLY 78 2.964 -2.778 7.884 613 HA3 GLY 78 1HA GLY 78 3.925 -3.674 9.039 614 H GLU 79 H GLU 79 0.516 -2.908 8.557 615 HA GLU 79 HA GLU 79 -0.087 -5.770 8.696 616 HB2 GLU 79 2HB GLU 79 -0.282 -4.382 10.909 617 HB3 GLU 79 1HB GLU 79 -1.778 -3.836 10.201 618 HG2 GLU 79 2HG GLU 79 -1.675 -6.654 9.960 619 HG3 GLU 79 1HG GLU 79 -1.230 -6.229 11.612 620 H VAL 80 H VAL 80 -2.588 -6.013 8.335 621 HA VAL 80 HA VAL 80 -3.135 -4.618 5.869 622 HB VAL 80 HB VAL 80 -4.760 -6.761 7.251 623 HG11 VAL 80 1HG1 VAL 80 -5.173 -5.174 4.799 624 HG12 VAL 80 2HG1 VAL 80 -6.346 -5.962 5.854 625 HG13 VAL 80 3HG1 VAL 80 -5.463 -6.906 4.654 626 HG21 VAL 80 3HG2 VAL 80 -2.486 -7.464 6.518 627 HG22 VAL 80 1HG2 VAL 80 -2.926 -7.016 4.868 628 HG23 VAL 80 2HG2 VAL 80 -3.793 -8.313 5.692 629 H SER 81 H SER 81 -4.962 -3.308 5.481 630 HA SER 81 HA SER 81 -6.062 -2.126 7.933 631 HB2 SER 81 2HB SER 81 -4.922 -0.967 5.644 632 HB3 SER 81 1HB SER 81 -6.646 -0.615 5.536 633 HG SER 81 HG SER 81 -6.387 0.055 7.834 634 H GLU 82 H GLU 82 -8.272 -1.329 7.866 635 HA GLU 82 HA GLU 82 -10.130 -3.292 7.432 636 HB2 GLU 82 2HB GLU 82 -10.448 -0.304 7.598 637 HB3 GLU 82 1HB GLU 82 -11.824 -1.395 7.509 638 HG2 GLU 82 2HG GLU 82 -11.559 -2.130 9.626 639 HG3 GLU 82 1HG GLU 82 -9.803 -1.996 9.570 640 HA PRO 83 HA PRO 83 -11.247 -3.514 3.206 641 HB2 PRO 83 2HB PRO 83 -13.996 -3.564 3.384 642 HB3 PRO 83 1HB PRO 83 -12.955 -4.962 3.659 643 HG2 PRO 83 2HG PRO 83 -14.219 -3.119 5.645 644 HG3 PRO 83 1HG PRO 83 -14.036 -4.881 5.708 645 HD2 PRO 83 2HD PRO 83 -12.422 -3.255 7.104 646 HD3 PRO 83 1HD PRO 83 -11.817 -4.754 6.366 647 H VAL 84 H VAL 84 -10.719 -1.643 2.204 648 HA VAL 84 HA VAL 84 -12.469 0.696 2.532 649 HB VAL 84 HB VAL 84 -9.787 0.471 1.149 650 HG11 VAL 84 1HG1 VAL 84 -11.201 2.228 0.202 651 HG12 VAL 84 2HG1 VAL 84 -9.823 2.901 1.071 652 HG13 VAL 84 3HG1 VAL 84 -11.424 2.919 1.811 653 HG21 VAL 84 3HG2 VAL 84 -9.346 0.229 3.437 654 HG22 VAL 84 1HG2 VAL 84 -10.571 1.416 3.887 655 HG23 VAL 84 2HG2 VAL 84 -9.080 1.941 3.105 656 H LYS 85 H LYS 85 -14.148 0.652 1.163 657 HA LYS 85 HA LYS 85 -13.838 -0.495 -1.492 658 HB2 LYS 85 2HB LYS 85 -15.847 -0.831 0.133 659 HB3 LYS 85 1HB LYS 85 -16.374 0.732 -0.473 660 HG2 LYS 85 2HG LYS 85 -15.648 -1.395 -2.423 661 HG3 LYS 85 1HG LYS 85 -17.194 -1.492 -1.579 662 HD2 LYS 85 2HD LYS 85 -18.042 0.334 -2.639 663 HD3 LYS 85 1HD LYS 85 -16.469 1.122 -2.772 664 HE2 LYS 85 2HE LYS 85 -15.843 -0.410 -4.561 665 HE3 LYS 85 1HE LYS 85 -17.396 -1.234 -4.415 666 HZ1 LYS 85 3HZ LYS 85 -18.042 0.183 -5.996 667 HZ2 LYS 85 1HZ LYS 85 -16.743 1.237 -5.743 668 HZ3 LYS 85 2HZ LYS 85 -18.120 1.342 -4.767 669 H SER 86 H SER 86 -13.108 0.736 -3.057 670 HA SER 86 HA SER 86 -13.755 3.603 -3.050 671 HB2 SER 86 2HB SER 86 -11.647 2.147 -4.667 672 HB3 SER 86 1HB SER 86 -11.862 3.892 -4.554 673 HG SER 86 HG SER 86 -11.073 2.109 -2.497 674 H GLU 87 H GLU 87 -13.482 4.255 -5.664 675 HA GLU 87 HA GLU 87 -15.960 3.486 -6.764 676 HB2 GLU 87 2HB GLU 87 -15.063 4.637 -8.846 677 HB3 GLU 87 1HB GLU 87 -15.136 5.608 -7.382 678 HG2 GLU 87 2HG GLU 87 -12.594 4.332 -7.508 679 HG3 GLU 87 1HG GLU 87 -12.920 5.112 -9.055 680 H PHE 88 H PHE 88 -12.979 1.872 -6.751 681 HA PHE 88 HA PHE 88 -13.571 0.401 -9.212 682 HB2 PHE 88 2HB PHE 88 -11.143 1.035 -7.691 683 HB3 PHE 88 1HB PHE 88 -11.211 -0.629 -8.259 684 HD1 PHE 88 1HD PHE 88 -11.765 -0.972 -10.758 685 HD2 PHE 88 2HD PHE 88 -10.421 2.712 -9.105 686 HE1 PHE 88 1HE PHE 88 -11.037 -0.239 -12.992 687 HE2 PHE 88 2HE PHE 88 -9.692 3.453 -11.336 688 HZ PHE 88 HZ PHE 88 -10.001 1.976 -13.283 689 H GLY 89 H GLY 89 -13.362 -0.017 -5.732 690 HA2 GLY 89 2HA GLY 89 -15.080 -2.060 -5.375 691 HA3 GLY 89 1HA GLY 89 -13.634 -2.902 -5.907 692 H TYR 90 H TYR 90 -14.077 -3.863 -3.693 693 HA TYR 90 HA TYR 90 -13.364 -2.234 -1.444 694 HB2 TYR 90 2HB TYR 90 -14.465 -4.881 -1.926 695 HB3 TYR 90 1HB TYR 90 -13.280 -4.878 -0.635 696 HD1 TYR 90 1HD TYR 90 -13.594 -3.117 1.239 697 HD2 TYR 90 2HD TYR 90 -16.645 -4.171 -1.531 698 HE1 TYR 90 1HE TYR 90 -15.287 -2.185 2.760 699 HE2 TYR 90 2HE TYR 90 -18.347 -3.245 -0.018 700 HH TYR 90 HH TYR 90 -18.748 -2.294 1.959 701 H HIS 91 H HIS 91 -11.348 -1.503 -1.590 702 HA HIS 91 HA HIS 91 -9.135 -3.122 -2.433 703 HB2 HIS 91 2HB HIS 91 -9.308 -0.330 -1.298 704 HB3 HIS 91 1HB HIS 91 -7.812 -1.074 -1.840 705 HD1 HIS 91 1HD HIS 91 -11.192 -1.074 -3.578 706 HD2 HIS 91 2HD HIS 91 -7.299 0.261 -4.146 707 HE1 HIS 91 1HE HIS 91 -11.142 -0.125 -5.904 708 HE2 HIS 91 2HE HIS 91 -8.801 0.764 -6.190 709 H VAL 92 H VAL 92 -7.094 -3.071 -1.110 710 HA VAL 92 HA VAL 92 -7.479 -3.251 1.773 711 HB VAL 92 HB VAL 92 -6.178 -5.534 0.293 712 HG11 VAL 92 1HG1 VAL 92 -5.374 -5.777 2.388 713 HG12 VAL 92 2HG1 VAL 92 -6.947 -6.524 2.670 714 HG13 VAL 92 3HG1 VAL 92 -6.678 -4.839 3.115 715 HG21 VAL 92 3HG2 VAL 92 -8.587 -5.389 -0.278 716 HG22 VAL 92 1HG2 VAL 92 -8.968 -5.492 1.441 717 HG23 VAL 92 2HG2 VAL 92 -8.175 -6.843 0.631 718 H ILE 93 H ILE 93 -5.623 -2.740 2.915 719 HA ILE 93 HA ILE 93 -3.242 -2.146 1.276 720 HB ILE 93 HB ILE 93 -3.512 -0.623 3.775 721 HG12 ILE 93 2HG1 ILE 93 -5.473 -0.282 1.507 722 HG13 ILE 93 1HG1 ILE 93 -5.822 -0.477 3.218 723 HG21 ILE 93 1HG2 ILE 93 -2.026 0.633 2.716 724 HG22 ILE 93 2HG2 ILE 93 -3.151 0.929 1.392 725 HG23 ILE 93 3HG2 ILE 93 -2.097 -0.485 1.356 726 HD11 ILE 93 3HD1 ILE 93 -6.221 1.785 2.690 727 HD12 ILE 93 1HD1 ILE 93 -4.687 1.931 1.832 728 HD13 ILE 93 2HD1 ILE 93 -4.703 1.742 3.585 729 H LYS 94 H LYS 94 -1.481 -3.221 1.792 730 HA LYS 94 HA LYS 94 -1.078 -4.057 4.584 731 HB2 LYS 94 2HB LYS 94 -1.752 -5.902 2.844 732 HB3 LYS 94 1HB LYS 94 -0.080 -5.754 2.323 733 HG2 LYS 94 2HG LYS 94 -1.029 -6.473 5.087 734 HG3 LYS 94 1HG LYS 94 -0.314 -7.566 3.901 735 HD2 LYS 94 2HD LYS 94 1.749 -6.176 3.955 736 HD3 LYS 94 1HD LYS 94 1.026 -5.229 5.257 737 HE2 LYS 94 2HE LYS 94 2.263 -6.742 6.460 738 HE3 LYS 94 1HE LYS 94 0.713 -7.576 6.376 739 HZ1 LYS 94 3HZ LYS 94 1.848 -8.505 4.179 740 HZ2 LYS 94 1HZ LYS 94 2.033 -9.252 5.685 741 HZ3 LYS 94 2HZ LYS 94 3.243 -8.231 5.095 742 H ARG 95 H ARG 95 0.548 -2.816 5.267 743 HA ARG 95 HA ARG 95 2.406 -1.508 3.681 744 HB2 ARG 95 2HB ARG 95 1.854 -1.750 6.455 745 HB3 ARG 95 1HB ARG 95 3.581 -1.991 6.232 746 HG2 ARG 95 2HG ARG 95 3.278 0.162 4.699 747 HG3 ARG 95 1HG ARG 95 1.929 0.423 5.806 748 HD2 ARG 95 2HD ARG 95 3.863 1.534 6.687 749 HD3 ARG 95 1HD ARG 95 3.506 0.138 7.704 750 HE ARG 95 HE ARG 95 5.507 -0.788 7.083 751 HH11 ARG 95 1HH1 ARG 95 4.761 1.853 4.929 752 HH12 ARG 95 2HH1 ARG 95 6.314 1.832 4.164 753 HH21 ARG 95 1HH2 ARG 95 7.549 -0.820 6.076 754 HH22 ARG 95 2HH2 ARG 95 7.897 0.313 4.814 755 H LEU 96 H LEU 96 4.221 -2.017 2.747 756 HA LEU 96 HA LEU 96 5.983 -4.062 3.621 757 HB2 LEU 96 2HB LEU 96 5.598 -5.666 2.089 758 HB3 LEU 96 1HB LEU 96 3.982 -5.013 2.112 759 HG LEU 96 HG LEU 96 4.829 -3.530 0.141 760 HD11 LEU 96 1HD1 LEU 96 6.463 -5.108 -1.202 761 HD12 LEU 96 2HD1 LEU 96 6.969 -5.572 0.422 762 HD13 LEU 96 3HD1 LEU 96 7.077 -3.886 -0.085 763 HD21 LEU 96 3HD2 LEU 96 3.606 -6.107 0.302 764 HD22 LEU 96 1HD2 LEU 96 4.606 -6.017 -1.148 765 HD23 LEU 96 2HD2 LEU 96 3.344 -4.817 -0.871 766 H GLY 97 H GLY 97 7.883 -3.067 3.367 767 HA2 GLY 97 2HA GLY 97 8.613 -1.949 0.807 768 HA3 GLY 97 1HA GLY 97 8.503 -0.776 2.105 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 11.404 18.665 -10.233 2 H2 GLY 1 2HT GLY 1 10.730 19.981 -9.413 3 H3 GLY 1 3HT GLY 1 11.345 18.669 -8.542 4 HA2 GLY 1 1HA GLY 1 13.239 19.919 -10.335 5 HA3 GLY 1 2HA GLY 1 12.695 20.939 -9.011 6 HA PRO 2 HA PRO 2 15.749 19.262 -6.319 7 HB2 PRO 2 2HB PRO 2 13.550 18.998 -4.323 8 HB3 PRO 2 1HB PRO 2 15.122 19.792 -4.167 9 HG2 PRO 2 2HG PRO 2 12.903 21.230 -4.477 10 HG3 PRO 2 1HG PRO 2 14.415 21.704 -5.276 11 HD2 PRO 2 2HD PRO 2 11.986 20.406 -6.427 12 HD3 PRO 2 1HD PRO 2 13.079 21.602 -7.152 13 H MET 3 H MET 3 16.194 17.258 -7.202 14 HA MET 3 HA MET 3 14.449 15.017 -6.483 15 HB2 MET 3 2HB MET 3 15.656 13.740 -8.159 16 HB3 MET 3 1HB MET 3 15.090 15.253 -8.852 17 HG2 MET 3 2HG MET 3 17.431 16.146 -8.298 18 HG3 MET 3 1HG MET 3 17.876 14.450 -8.119 19 HE1 MET 3 3HE MET 3 16.364 16.451 -11.964 20 HE2 MET 3 1HE MET 3 16.107 17.001 -10.308 21 HE3 MET 3 2HE MET 3 15.176 15.644 -10.941 22 H GLY 4 H GLY 4 14.995 13.580 -4.968 23 HA2 GLY 4 2HA GLY 4 17.204 12.312 -4.302 24 HA3 GLY 4 1HA GLY 4 17.589 13.897 -3.652 25 H SER 5 H SER 5 14.521 12.105 -3.690 26 HA SER 5 HA SER 5 14.017 12.746 -0.949 27 HB2 SER 5 2HB SER 5 12.050 11.136 -1.304 28 HB3 SER 5 1HB SER 5 12.092 12.582 -2.311 29 HG SER 5 HG SER 5 11.736 10.342 -3.285 30 H MET 6 H MET 6 13.456 11.054 0.672 31 HA MET 6 HA MET 6 15.453 8.896 0.569 32 HB2 MET 6 2HB MET 6 14.409 10.629 2.733 33 HB3 MET 6 1HB MET 6 14.733 8.958 3.168 34 HG2 MET 6 2HG MET 6 16.802 10.526 1.704 35 HG3 MET 6 1HG MET 6 16.576 10.774 3.434 36 HE1 MET 6 3HE MET 6 19.308 10.107 2.921 37 HE2 MET 6 1HE MET 6 19.061 9.335 1.355 38 HE3 MET 6 2HE MET 6 19.812 8.436 2.673 39 H ALA 7 H ALA 7 12.450 9.324 2.430 40 HA ALA 7 HA ALA 7 11.276 6.984 1.162 41 HB1 ALA 7 1HB ALA 7 10.996 5.712 3.157 42 HB2 ALA 7 2HB ALA 7 11.653 7.013 4.151 43 HB3 ALA 7 3HB ALA 7 12.704 6.136 3.038 44 H ASP 8 H ASP 8 10.641 9.830 1.324 45 HA ASP 8 HA ASP 8 8.640 10.459 3.141 46 HB2 ASP 8 2HB ASP 8 9.178 11.350 0.320 47 HB3 ASP 8 1HB ASP 8 7.775 11.948 1.199 48 H LYS 9 H LYS 9 8.549 8.401 0.349 49 HA LYS 9 HA LYS 9 5.686 8.270 0.194 50 HB2 LYS 9 2HB LYS 9 7.983 6.947 -1.189 51 HB3 LYS 9 1HB LYS 9 6.352 6.338 -1.395 52 HG2 LYS 9 2HG LYS 9 7.023 7.826 -3.196 53 HG3 LYS 9 1HG LYS 9 5.646 8.469 -2.307 54 HD2 LYS 9 2HD LYS 9 8.356 9.290 -1.429 55 HD3 LYS 9 1HD LYS 9 7.764 9.949 -2.956 56 HE2 LYS 9 2HE LYS 9 5.631 10.144 -1.153 57 HE3 LYS 9 1HE LYS 9 7.063 10.652 -0.266 58 HZ1 LYS 9 3HZ LYS 9 7.292 12.493 -1.511 59 HZ2 LYS 9 1HZ LYS 9 5.646 12.270 -1.832 60 HZ3 LYS 9 2HZ LYS 9 6.804 11.736 -2.941 61 H ILE 10 H ILE 10 4.581 6.183 0.286 62 HA ILE 10 HA ILE 10 5.646 4.528 2.472 63 HB ILE 10 HB ILE 10 2.790 4.205 1.876 64 HG12 ILE 10 2HG1 ILE 10 3.692 6.770 3.194 65 HG13 ILE 10 1HG1 ILE 10 3.118 6.665 1.533 66 HG21 ILE 10 1HG2 ILE 10 4.506 4.511 4.317 67 HG22 ILE 10 2HG2 ILE 10 3.609 3.097 3.764 68 HG23 ILE 10 3HG2 ILE 10 2.745 4.488 4.417 69 HD11 ILE 10 3HD1 ILE 10 1.062 6.952 2.287 70 HD12 ILE 10 1HD1 ILE 10 1.624 6.875 3.956 71 HD13 ILE 10 2HD1 ILE 10 1.184 5.395 3.105 72 H LYS 11 H LYS 11 5.822 2.424 2.173 73 HA LYS 11 HA LYS 11 5.258 1.428 -0.524 74 HB2 LYS 11 2HB LYS 11 7.144 0.194 1.479 75 HB3 LYS 11 1HB LYS 11 7.074 -0.073 -0.261 76 HG2 LYS 11 2HG LYS 11 8.367 1.693 -0.706 77 HG3 LYS 11 1HG LYS 11 7.518 2.743 0.441 78 HD2 LYS 11 2HD LYS 11 9.466 2.630 1.574 79 HD3 LYS 11 1HD LYS 11 8.834 1.080 2.135 80 HE2 LYS 11 2HE LYS 11 10.448 -0.041 1.088 81 HE3 LYS 11 1HE LYS 11 10.134 0.805 -0.428 82 HZ1 LYS 11 3HZ LYS 11 11.808 1.828 1.804 83 HZ2 LYS 11 1HZ LYS 11 11.521 2.625 0.339 84 HZ3 LYS 11 2HZ LYS 11 12.391 1.176 0.357 85 H CYS 12 H CYS 12 3.224 0.675 -0.409 86 HA CYS 12 HA CYS 12 2.712 -1.491 1.515 87 HB2 CYS 12 2HB CYS 12 1.515 0.822 1.797 88 HB3 CYS 12 1HB CYS 12 0.511 0.261 0.467 89 HG CYS 12 HG CYS 12 0.546 -0.929 3.322 90 H SER 13 H SER 13 0.571 -2.677 0.693 91 HA SER 13 HA SER 13 0.894 -3.207 -2.184 92 HB2 SER 13 2HB SER 13 1.822 -5.128 -1.191 93 HB3 SER 13 1HB SER 13 0.639 -5.135 0.116 94 HG SER 13 HG SER 13 0.522 -6.327 -2.303 95 H HIS 14 H HIS 14 -1.097 -4.215 -3.165 96 HA HIS 14 HA HIS 14 -3.527 -3.437 -1.714 97 HB2 HIS 14 2HB HIS 14 -4.445 -2.272 -3.553 98 HB3 HIS 14 1HB HIS 14 -2.794 -1.685 -3.401 99 HD1 HIS 14 1HD HIS 14 -1.973 -4.618 -4.898 100 HD2 HIS 14 2HD HIS 14 -4.166 -1.374 -6.292 101 HE1 HIS 14 1HE HIS 14 -1.858 -4.753 -7.407 102 HE2 HIS 14 2HE HIS 14 -3.117 -2.732 -8.225 103 H ILE 15 H ILE 15 -5.444 -4.472 -2.306 104 HA ILE 15 HA ILE 15 -5.337 -6.689 -4.167 105 HB ILE 15 HB ILE 15 -5.626 -7.079 -1.193 106 HG12 ILE 15 2HG1 ILE 15 -4.134 -9.129 -2.145 107 HG13 ILE 15 1HG1 ILE 15 -3.744 -7.886 -3.322 108 HG21 ILE 15 1HG2 ILE 15 -6.880 -8.938 -1.365 109 HG22 ILE 15 2HG2 ILE 15 -6.106 -9.443 -2.866 110 HG23 ILE 15 3HG2 ILE 15 -7.399 -8.248 -2.900 111 HD11 ILE 15 3HD1 ILE 15 -3.113 -8.032 -0.432 112 HD12 ILE 15 1HD1 ILE 15 -3.378 -6.443 -1.148 113 HD13 ILE 15 2HD1 ILE 15 -2.120 -7.499 -1.788 114 H LEU 16 H LEU 16 -7.117 -6.446 -5.319 115 HA LEU 16 HA LEU 16 -9.492 -5.265 -4.083 116 HB2 LEU 16 2HB LEU 16 -8.274 -4.522 -6.312 117 HB3 LEU 16 1HB LEU 16 -9.278 -5.765 -7.004 118 HG LEU 16 HG LEU 16 -11.282 -4.637 -6.402 119 HD11 LEU 16 1HD1 LEU 16 -10.868 -2.276 -5.255 120 HD12 LEU 16 2HD1 LEU 16 -9.505 -3.153 -4.559 121 HD13 LEU 16 3HD1 LEU 16 -11.150 -3.748 -4.326 122 HD21 LEU 16 3HD2 LEU 16 -10.982 -3.391 -8.214 123 HD22 LEU 16 1HD2 LEU 16 -9.238 -3.354 -7.955 124 HD23 LEU 16 2HD2 LEU 16 -10.270 -2.143 -7.192 125 H VAL 17 H VAL 17 -11.288 -6.414 -3.720 126 HA VAL 17 HA VAL 17 -11.789 -8.821 -5.296 127 HB VAL 17 HB VAL 17 -12.257 -10.214 -3.403 128 HG11 VAL 17 1HG1 VAL 17 -10.119 -10.806 -3.131 129 HG12 VAL 17 2HG1 VAL 17 -9.693 -9.266 -2.388 130 HG13 VAL 17 3HG1 VAL 17 -9.737 -9.418 -4.142 131 HG21 VAL 17 3HG2 VAL 17 -11.860 -7.703 -1.838 132 HG22 VAL 17 1HG2 VAL 17 -11.508 -9.258 -1.083 133 HG23 VAL 17 2HG2 VAL 17 -13.124 -8.926 -1.703 134 H LYS 18 H LYS 18 -13.903 -9.090 -5.791 135 HA LYS 18 HA LYS 18 -15.713 -6.980 -5.124 136 HB2 LYS 18 2HB LYS 18 -16.050 -9.539 -6.688 137 HB3 LYS 18 1HB LYS 18 -17.353 -8.384 -6.458 138 HG2 LYS 18 2HG LYS 18 -16.588 -7.063 -8.070 139 HG3 LYS 18 1HG LYS 18 -14.950 -7.094 -7.418 140 HD2 LYS 18 2HD LYS 18 -14.400 -9.046 -8.617 141 HD3 LYS 18 1HD LYS 18 -16.091 -9.393 -8.982 142 HE2 LYS 18 2HE LYS 18 -16.118 -8.014 -10.757 143 HE3 LYS 18 1HE LYS 18 -15.138 -6.792 -9.948 144 HZ1 LYS 18 3HZ LYS 18 -14.118 -9.290 -11.191 145 HZ2 LYS 18 1HZ LYS 18 -13.172 -8.129 -10.400 146 HZ3 LYS 18 2HZ LYS 18 -13.975 -7.734 -11.836 147 H LYS 19 H LYS 19 -15.320 -10.328 -4.085 148 HA LYS 19 HA LYS 19 -17.769 -10.394 -2.620 149 HB2 LYS 19 2HB LYS 19 -17.140 -12.542 -3.084 150 HB3 LYS 19 1HB LYS 19 -15.426 -12.166 -3.030 151 HG2 LYS 19 2HG LYS 19 -15.361 -12.335 -0.708 152 HG3 LYS 19 1HG LYS 19 -17.116 -12.337 -0.561 153 HD2 LYS 19 2HD LYS 19 -17.203 -14.504 -1.692 154 HD3 LYS 19 1HD LYS 19 -15.446 -14.495 -1.853 155 HE2 LYS 19 2HE LYS 19 -15.738 -15.802 0.025 156 HE3 LYS 19 1HE LYS 19 -15.481 -14.208 0.732 157 HZ1 LYS 19 3HZ LYS 19 -17.355 -15.400 1.736 158 HZ2 LYS 19 1HZ LYS 19 -18.141 -15.434 0.237 159 HZ3 LYS 19 2HZ LYS 19 -17.845 -13.956 1.005 160 H GLN 20 H GLN 20 -17.547 -8.371 -1.585 161 HA GLN 20 HA GLN 20 -15.547 -7.414 -0.045 162 HB2 GLN 20 2HB GLN 20 -18.395 -7.148 0.886 163 HB3 GLN 20 1HB GLN 20 -17.095 -5.972 1.006 164 HG2 GLN 20 2HG GLN 20 -17.150 -5.670 -1.423 165 HG3 GLN 20 1HG GLN 20 -18.463 -6.839 -1.534 166 HE21 GLN 20 1HE2 GLN 20 -18.834 -4.377 -2.559 167 HE22 GLN 20 2HE2 GLN 20 -19.938 -3.474 -1.584 168 H GLY 21 H GLY 21 -17.587 -10.094 0.840 169 HA2 GLY 21 2HA GLY 21 -17.081 -9.948 3.633 170 HA3 GLY 21 1HA GLY 21 -17.591 -11.388 2.760 171 H GLU 22 H GLU 22 -15.330 -11.242 0.918 172 HA GLU 22 HA GLU 22 -13.466 -12.752 2.449 173 HB2 GLU 22 2HB GLU 22 -12.306 -13.088 0.425 174 HB3 GLU 22 1HB GLU 22 -14.007 -13.062 0.006 175 HG2 GLU 22 2HG GLU 22 -13.715 -11.404 -1.409 176 HG3 GLU 22 1HG GLU 22 -12.835 -10.449 -0.220 177 H ALA 23 H ALA 23 -13.578 -9.491 1.175 178 HA ALA 23 HA ALA 23 -10.989 -8.633 1.566 179 HB1 ALA 23 1HB ALA 23 -12.179 -6.381 2.170 180 HB2 ALA 23 2HB ALA 23 -13.640 -7.259 1.717 181 HB3 ALA 23 3HB ALA 23 -12.335 -7.055 0.547 182 H LEU 24 H LEU 24 -13.586 -9.050 3.904 183 HA LEU 24 HA LEU 24 -12.162 -7.923 6.116 184 HB2 LEU 24 2HB LEU 24 -14.762 -8.464 5.681 185 HB3 LEU 24 1HB LEU 24 -14.326 -9.897 6.592 186 HG LEU 24 HG LEU 24 -15.256 -8.151 8.036 187 HD11 LEU 24 1HD1 LEU 24 -13.122 -9.717 8.552 188 HD12 LEU 24 2HD1 LEU 24 -13.883 -8.662 9.744 189 HD13 LEU 24 3HD1 LEU 24 -12.439 -8.126 8.885 190 HD21 LEU 24 3HD2 LEU 24 -14.573 -6.008 8.068 191 HD22 LEU 24 1HD2 LEU 24 -13.962 -6.379 6.456 192 HD23 LEU 24 2HD2 LEU 24 -12.877 -6.436 7.844 193 H ALA 25 H ALA 25 -12.408 -11.082 4.665 194 HA ALA 25 HA ALA 25 -11.180 -12.423 6.919 195 HB1 ALA 25 1HB ALA 25 -12.130 -13.297 4.214 196 HB2 ALA 25 2HB ALA 25 -12.688 -13.801 5.810 197 HB3 ALA 25 3HB ALA 25 -11.127 -14.357 5.205 198 H VAL 26 H VAL 26 -10.245 -11.655 3.569 199 HA VAL 26 HA VAL 26 -7.722 -12.727 3.505 200 HB VAL 26 HB VAL 26 -7.180 -11.281 1.726 201 HG11 VAL 26 1HG1 VAL 26 -9.524 -12.669 1.756 202 HG12 VAL 26 2HG1 VAL 26 -8.805 -11.923 0.329 203 HG13 VAL 26 3HG1 VAL 26 -10.056 -11.070 1.234 204 HG21 VAL 26 3HG2 VAL 26 -7.507 -9.142 2.788 205 HG22 VAL 26 1HG2 VAL 26 -9.254 -9.377 2.806 206 HG23 VAL 26 2HG2 VAL 26 -8.409 -9.177 1.272 207 H GLN 27 H GLN 27 -8.743 -9.687 4.987 208 HA GLN 27 HA GLN 27 -6.185 -8.658 5.485 209 HB2 GLN 27 2HB GLN 27 -7.211 -7.192 7.076 210 HB3 GLN 27 1HB GLN 27 -8.355 -7.410 5.758 211 HG2 GLN 27 2HG GLN 27 -9.702 -8.850 7.046 212 HG3 GLN 27 1HG GLN 27 -8.492 -8.971 8.316 213 HE21 GLN 27 1HE2 GLN 27 -9.581 -6.093 6.600 214 HE22 GLN 27 2HE2 GLN 27 -10.223 -5.288 7.988 215 H GLU 28 H GLU 28 -8.278 -10.714 7.471 216 HA GLU 28 HA GLU 28 -6.337 -11.072 9.539 217 HB2 GLU 28 2HB GLU 28 -7.912 -12.509 10.558 218 HB3 GLU 28 1HB GLU 28 -8.869 -11.271 9.762 219 HG2 GLU 28 2HG GLU 28 -9.687 -12.713 8.184 220 HG3 GLU 28 1HG GLU 28 -8.319 -13.816 8.316 221 H ARG 29 H ARG 29 -7.135 -12.662 6.566 222 HA ARG 29 HA ARG 29 -5.723 -15.100 7.105 223 HB2 ARG 29 2HB ARG 29 -7.701 -14.755 5.530 224 HB3 ARG 29 1HB ARG 29 -6.550 -14.049 4.407 225 HG2 ARG 29 2HG ARG 29 -6.893 -16.314 3.796 226 HG3 ARG 29 1HG ARG 29 -5.270 -16.180 4.480 227 HD2 ARG 29 2HD ARG 29 -6.731 -16.763 6.693 228 HD3 ARG 29 1HD ARG 29 -7.627 -17.643 5.457 229 HE ARG 29 HE ARG 29 -4.886 -18.179 5.159 230 HH11 ARG 29 1HH1 ARG 29 -7.520 -18.833 7.354 231 HH12 ARG 29 2HH1 ARG 29 -6.856 -20.336 7.902 232 HH21 ARG 29 1HH2 ARG 29 -4.012 -20.156 5.878 233 HH22 ARG 29 2HH2 ARG 29 -4.863 -21.087 7.065 234 H LEU 30 H LEU 30 -5.005 -12.080 5.470 235 HA LEU 30 HA LEU 30 -2.753 -12.763 4.028 236 HB2 LEU 30 2HB LEU 30 -4.014 -10.545 4.132 237 HB3 LEU 30 1HB LEU 30 -3.026 -10.166 5.526 238 HG LEU 30 HG LEU 30 -2.117 -9.127 3.531 239 HD11 LEU 30 1HD1 LEU 30 0.071 -9.596 3.968 240 HD12 LEU 30 2HD1 LEU 30 -0.194 -11.339 4.016 241 HD13 LEU 30 3HD1 LEU 30 -0.681 -10.335 5.382 242 HD21 LEU 30 3HD2 LEU 30 -1.967 -10.120 1.538 243 HD22 LEU 30 1HD2 LEU 30 -2.973 -11.395 2.224 244 HD23 LEU 30 2HD2 LEU 30 -1.218 -11.565 2.217 245 H LYS 31 H LYS 31 -2.815 -11.473 7.358 246 HA LYS 31 HA LYS 31 -0.028 -11.914 7.763 247 HB2 LYS 31 2HB LYS 31 -0.436 -11.271 10.056 248 HB3 LYS 31 1HB LYS 31 -1.329 -10.201 8.986 249 HG2 LYS 31 2HG LYS 31 -2.913 -12.486 9.779 250 HG3 LYS 31 1HG LYS 31 -2.326 -11.574 11.172 251 HD2 LYS 31 2HD LYS 31 -3.161 -9.612 9.414 252 HD3 LYS 31 1HD LYS 31 -4.360 -10.888 9.208 253 HE2 LYS 31 2HE LYS 31 -3.535 -9.648 11.831 254 HE3 LYS 31 1HE LYS 31 -5.018 -9.292 10.946 255 HZ1 LYS 31 3HZ LYS 31 -4.532 -12.094 11.541 256 HZ2 LYS 31 1HZ LYS 31 -5.971 -11.206 11.602 257 HZ3 LYS 31 2HZ LYS 31 -4.862 -11.110 12.876 258 H ALA 32 H ALA 32 -2.634 -14.031 7.677 259 HA ALA 32 HA ALA 32 -2.112 -15.814 9.757 260 HB1 ALA 32 1HB ALA 32 -4.109 -15.763 8.194 261 HB2 ALA 32 2HB ALA 32 -3.479 -17.357 8.610 262 HB3 ALA 32 3HB ALA 32 -3.103 -16.642 7.041 263 H GLY 33 H GLY 33 -0.396 -15.228 6.826 264 HA2 GLY 33 2HA GLY 33 1.961 -16.300 7.289 265 HA3 GLY 33 1HA GLY 33 1.026 -17.749 6.964 266 H GLU 34 H GLU 34 -0.609 -15.949 5.051 267 HA GLU 34 HA GLU 34 0.938 -16.631 2.717 268 HB2 GLU 34 2HB GLU 34 -1.008 -15.804 1.458 269 HB3 GLU 34 1HB GLU 34 -1.469 -16.970 2.689 270 HG2 GLU 34 2HG GLU 34 -2.077 -15.050 4.166 271 HG3 GLU 34 1HG GLU 34 -1.794 -13.984 2.793 272 H LYS 35 H LYS 35 1.420 -15.120 1.005 273 HA LYS 35 HA LYS 35 2.276 -12.531 2.082 274 HB2 LYS 35 2HB LYS 35 3.874 -14.188 0.923 275 HB3 LYS 35 1HB LYS 35 3.105 -13.679 -0.572 276 HG2 LYS 35 2HG LYS 35 3.683 -11.286 0.246 277 HG3 LYS 35 1HG LYS 35 4.837 -12.119 1.289 278 HD2 LYS 35 2HD LYS 35 4.868 -13.017 -1.501 279 HD3 LYS 35 1HD LYS 35 5.324 -11.327 -1.280 280 HE2 LYS 35 2HE LYS 35 6.714 -12.539 0.726 281 HE3 LYS 35 1HE LYS 35 6.740 -13.783 -0.524 282 HZ1 LYS 35 3HZ LYS 35 7.654 -12.172 -2.067 283 HZ2 LYS 35 1HZ LYS 35 8.640 -12.297 -0.697 284 HZ3 LYS 35 2HZ LYS 35 7.611 -10.966 -0.882 285 H PHE 36 H PHE 36 1.790 -10.601 1.097 286 HA PHE 36 HA PHE 36 -0.725 -10.270 -0.009 287 HB2 PHE 36 2HB PHE 36 0.234 -8.015 -0.798 288 HB3 PHE 36 1HB PHE 36 0.247 -8.353 0.928 289 HD1 PHE 36 1HD PHE 36 2.385 -8.534 -2.108 290 HD2 PHE 36 2HD PHE 36 2.220 -8.172 2.129 291 HE1 PHE 36 1HE PHE 36 4.809 -8.118 -2.053 292 HE2 PHE 36 2HE PHE 36 4.643 -7.754 2.191 293 HZ PHE 36 HZ PHE 36 5.942 -7.726 0.099 294 H GLY 37 H GLY 37 2.346 -10.869 -1.583 295 HA2 GLY 37 2HA GLY 37 1.629 -10.204 -4.215 296 HA3 GLY 37 1HA GLY 37 2.887 -11.341 -3.760 297 H LYS 38 H LYS 38 1.096 -13.121 -2.335 298 HA LYS 38 HA LYS 38 0.317 -14.768 -4.507 299 HB2 LYS 38 2HB LYS 38 1.036 -15.681 -2.344 300 HB3 LYS 38 1HB LYS 38 -0.384 -14.986 -1.575 301 HG2 LYS 38 2HG LYS 38 -1.587 -16.771 -2.082 302 HG3 LYS 38 1HG LYS 38 -1.204 -16.590 -3.794 303 HD2 LYS 38 2HD LYS 38 0.370 -18.197 -3.738 304 HD3 LYS 38 1HD LYS 38 0.977 -17.683 -2.164 305 HE2 LYS 38 2HE LYS 38 -0.992 -18.758 -1.109 306 HE3 LYS 38 1HE LYS 38 -1.473 -19.356 -2.698 307 HZ1 LYS 38 3HZ LYS 38 1.250 -19.956 -1.884 308 HZ2 LYS 38 1HZ LYS 38 0.119 -20.927 -2.686 309 HZ3 LYS 38 2HZ LYS 38 0.036 -20.739 -1.007 310 H LEU 39 H LEU 39 -1.609 -13.046 -2.051 311 HA LEU 39 HA LEU 39 -4.138 -13.701 -2.947 312 HB2 LEU 39 2HB LEU 39 -3.194 -11.123 -1.708 313 HB3 LEU 39 1HB LEU 39 -4.873 -11.545 -1.929 314 HG LEU 39 HG LEU 39 -4.387 -11.986 0.338 315 HD11 LEU 39 1HD1 LEU 39 -4.578 -14.465 0.503 316 HD12 LEU 39 2HD1 LEU 39 -4.334 -14.545 -1.240 317 HD13 LEU 39 3HD1 LEU 39 -5.740 -13.706 -0.582 318 HD21 LEU 39 3HD2 LEU 39 -2.110 -13.806 -0.335 319 HD22 LEU 39 1HD2 LEU 39 -2.503 -13.023 1.196 320 HD23 LEU 39 2HD2 LEU 39 -1.853 -12.071 -0.139 321 H ALA 40 H ALA 40 -1.885 -11.308 -4.172 322 HA ALA 40 HA ALA 40 -3.528 -9.714 -5.707 323 HB1 ALA 40 1HB ALA 40 -1.416 -9.774 -7.311 324 HB2 ALA 40 2HB ALA 40 -0.697 -10.563 -5.907 325 HB3 ALA 40 3HB ALA 40 -1.388 -8.949 -5.753 326 H LYS 41 H LYS 41 -1.917 -12.711 -6.710 327 HA LYS 41 HA LYS 41 -3.490 -12.830 -9.141 328 HB2 LYS 41 2HB LYS 41 -2.162 -14.821 -9.656 329 HB3 LYS 41 1HB LYS 41 -1.132 -13.465 -9.223 330 HG2 LYS 41 2HG LYS 41 -0.971 -14.419 -6.923 331 HG3 LYS 41 1HG LYS 41 -1.834 -15.839 -7.516 332 HD2 LYS 41 2HD LYS 41 0.588 -16.199 -7.514 333 HD3 LYS 41 1HD LYS 41 -0.069 -16.244 -9.150 334 HE2 LYS 41 2HE LYS 41 1.170 -14.503 -9.795 335 HE3 LYS 41 1HE LYS 41 0.737 -13.568 -8.365 336 HZ1 LYS 41 3HZ LYS 41 2.606 -14.171 -7.302 337 HZ2 LYS 41 1HZ LYS 41 3.192 -14.475 -8.861 338 HZ3 LYS 41 2HZ LYS 41 2.598 -15.748 -7.917 339 H GLU 42 H GLU 42 -3.564 -14.129 -5.939 340 HA GLU 42 HA GLU 42 -5.040 -16.481 -6.505 341 HB2 GLU 42 2HB GLU 42 -3.897 -15.203 -4.224 342 HB3 GLU 42 1HB GLU 42 -5.536 -15.680 -3.841 343 HG2 GLU 42 2HG GLU 42 -4.614 -17.907 -5.085 344 HG3 GLU 42 1HG GLU 42 -3.156 -17.309 -4.295 345 H LEU 43 H LEU 43 -6.271 -13.634 -4.655 346 HA LEU 43 HA LEU 43 -8.879 -14.201 -5.909 347 HB2 LEU 43 2HB LEU 43 -9.805 -13.048 -3.773 348 HB3 LEU 43 1HB LEU 43 -9.358 -14.740 -3.747 349 HG LEU 43 HG LEU 43 -8.675 -13.401 -1.738 350 HD11 LEU 43 1HD1 LEU 43 -6.091 -14.295 -2.607 351 HD12 LEU 43 2HD1 LEU 43 -7.344 -15.426 -3.115 352 HD13 LEU 43 3HD1 LEU 43 -7.181 -14.997 -1.413 353 HD21 LEU 43 3HD2 LEU 43 -7.159 -11.715 -1.811 354 HD22 LEU 43 1HD2 LEU 43 -7.885 -11.486 -3.401 355 HD23 LEU 43 2HD2 LEU 43 -6.355 -12.346 -3.246 356 H SER 44 H SER 44 -6.464 -11.861 -5.515 357 HA SER 44 HA SER 44 -8.002 -9.501 -5.544 358 HB2 SER 44 2HB SER 44 -5.225 -10.262 -5.917 359 HB3 SER 44 1HB SER 44 -5.676 -8.906 -6.933 360 HG SER 44 HG SER 44 -6.700 -8.217 -4.750 361 H ILE 45 H ILE 45 -8.790 -8.237 -7.183 362 HA ILE 45 HA ILE 45 -8.961 -9.531 -9.819 363 HB ILE 45 HB ILE 45 -10.859 -7.736 -10.100 364 HG12 ILE 45 2HG1 ILE 45 -11.292 -8.180 -7.192 365 HG13 ILE 45 1HG1 ILE 45 -10.125 -6.951 -7.651 366 HG21 ILE 45 1HG2 ILE 45 -10.896 -10.375 -8.732 367 HG22 ILE 45 2HG2 ILE 45 -11.568 -9.900 -10.291 368 HG23 ILE 45 3HG2 ILE 45 -12.386 -9.437 -8.799 369 HD11 ILE 45 3HD1 ILE 45 -12.541 -6.674 -9.176 370 HD12 ILE 45 1HD1 ILE 45 -11.731 -5.514 -8.123 371 HD13 ILE 45 2HD1 ILE 45 -12.875 -6.673 -7.444 372 H ASP 46 H ASP 46 -7.344 -7.097 -8.250 373 HA ASP 46 HA ASP 46 -7.335 -4.875 -9.835 374 HB2 ASP 46 2HB ASP 46 -4.945 -4.587 -9.184 375 HB3 ASP 46 1HB ASP 46 -6.000 -4.976 -7.827 376 H GLY 47 H GLY 47 -6.596 -4.293 -11.802 377 HA2 GLY 47 2HA GLY 47 -6.148 -6.249 -13.769 378 HA3 GLY 47 1HA GLY 47 -5.868 -4.525 -13.966 379 H GLY 48 H GLY 48 -4.188 -5.800 -15.348 380 HA2 GLY 48 2HA GLY 48 -2.063 -7.127 -15.061 381 HA3 GLY 48 1HA GLY 48 -1.818 -5.468 -15.561 382 H SER 49 H SER 49 -2.215 -4.146 -13.109 383 HA SER 49 HA SER 49 0.292 -4.231 -11.969 384 HB2 SER 49 2HB SER 49 -2.336 -3.125 -11.160 385 HB3 SER 49 1HB SER 49 -1.137 -3.299 -9.879 386 HG SER 49 HG SER 49 -0.588 -2.033 -12.352 387 H ALA 50 H ALA 50 -2.267 -6.475 -11.511 388 HA ALA 50 HA ALA 50 -1.569 -7.387 -8.904 389 HB1 ALA 50 1HB ALA 50 -3.735 -7.757 -10.381 390 HB2 ALA 50 2HB ALA 50 -3.251 -8.906 -9.135 391 HB3 ALA 50 3HB ALA 50 -2.877 -9.230 -10.829 392 H LYS 51 H LYS 51 -0.263 -7.863 -12.036 393 HA LYS 51 HA LYS 51 0.987 -10.388 -11.526 394 HB2 LYS 51 2HB LYS 51 0.750 -8.501 -13.730 395 HB3 LYS 51 1HB LYS 51 2.365 -9.175 -13.606 396 HG2 LYS 51 2HG LYS 51 1.706 -11.120 -14.448 397 HG3 LYS 51 1HG LYS 51 0.366 -11.227 -13.304 398 HD2 LYS 51 2HD LYS 51 -0.275 -9.234 -15.224 399 HD3 LYS 51 1HD LYS 51 0.285 -10.663 -16.091 400 HE2 LYS 51 2HE LYS 51 -1.564 -11.815 -15.588 401 HE3 LYS 51 1HE LYS 51 -1.520 -11.306 -13.900 402 HZ1 LYS 51 3HZ LYS 51 -3.386 -10.539 -15.653 403 HZ2 LYS 51 1HZ LYS 51 -2.298 -9.248 -15.782 404 HZ3 LYS 51 2HZ LYS 51 -2.960 -9.649 -14.278 405 H ARG 52 H ARG 52 1.527 -7.323 -10.404 406 HA ARG 52 HA ARG 52 4.422 -7.683 -10.145 407 HB2 ARG 52 2HB ARG 52 3.237 -5.168 -9.176 408 HB3 ARG 52 1HB ARG 52 4.650 -5.438 -10.179 409 HG2 ARG 52 2HG ARG 52 2.669 -6.076 -11.913 410 HG3 ARG 52 1HG ARG 52 1.894 -4.823 -10.942 411 HD2 ARG 52 2HD ARG 52 2.895 -3.547 -12.563 412 HD3 ARG 52 1HD ARG 52 4.155 -3.559 -11.330 413 HE ARG 52 HE ARG 52 4.799 -5.684 -12.857 414 HH11 ARG 52 1HH1 ARG 52 4.080 -2.356 -13.627 415 HH12 ARG 52 2HH1 ARG 52 5.097 -2.331 -15.028 416 HH21 ARG 52 1HH2 ARG 52 6.137 -5.651 -14.700 417 HH22 ARG 52 2HH2 ARG 52 6.264 -4.200 -15.638 418 H ASP 53 H ASP 53 2.281 -9.074 -8.612 419 HA ASP 53 HA ASP 53 1.819 -9.756 -6.515 420 HB2 ASP 53 2HB ASP 53 3.593 -9.931 -4.982 421 HB3 ASP 53 1HB ASP 53 4.368 -9.953 -6.559 422 H GLY 54 H GLY 54 0.919 -7.130 -7.390 423 HA2 GLY 54 2HA GLY 54 -0.185 -5.309 -6.546 424 HA3 GLY 54 1HA GLY 54 -0.373 -6.272 -5.089 425 H SER 55 H SER 55 2.829 -5.533 -6.167 426 HA SER 55 HA SER 55 3.442 -4.196 -3.736 427 HB2 SER 55 2HB SER 55 4.908 -4.992 -6.178 428 HB3 SER 55 1HB SER 55 5.565 -3.604 -5.311 429 HG SER 55 HG SER 55 4.889 -6.012 -3.995 430 H LEU 56 H LEU 56 2.018 -2.426 -3.638 431 HA LEU 56 HA LEU 56 1.673 -0.474 -5.596 432 HB2 LEU 56 2HB LEU 56 1.512 -0.323 -2.593 433 HB3 LEU 56 1HB LEU 56 1.115 1.033 -3.614 434 HG LEU 56 HG LEU 56 -0.323 -1.596 -3.373 435 HD11 LEU 56 1HD1 LEU 56 -0.834 1.224 -2.661 436 HD12 LEU 56 2HD1 LEU 56 -1.335 -0.262 -1.856 437 HD13 LEU 56 3HD1 LEU 56 -2.202 0.303 -3.284 438 HD21 LEU 56 3HD2 LEU 56 -1.808 -0.282 -5.182 439 HD22 LEU 56 1HD2 LEU 56 -0.582 -1.473 -5.615 440 HD23 LEU 56 2HD2 LEU 56 -0.200 0.247 -5.677 441 H GLY 57 H GLY 57 4.265 -1.005 -3.343 442 HA2 GLY 57 2HA GLY 57 6.356 -0.072 -3.214 443 HA3 GLY 57 1HA GLY 57 6.033 0.693 -4.759 444 H TYR 58 H TYR 58 7.314 2.439 -3.755 445 HA TYR 58 HA TYR 58 6.311 3.888 -1.539 446 HB2 TYR 58 2HB TYR 58 7.879 5.473 -3.447 447 HB3 TYR 58 1HB TYR 58 8.144 5.193 -1.734 448 HD1 TYR 58 1HD TYR 58 8.859 4.008 -5.128 449 HD2 TYR 58 2HD TYR 58 9.558 3.363 -0.982 450 HE1 TYR 58 1HE TYR 58 10.732 2.514 -5.682 451 HE2 TYR 58 2HE TYR 58 11.432 1.867 -1.525 452 HH TYR 58 HH TYR 58 12.017 0.733 -4.711 453 H PHE 59 H PHE 59 4.637 5.154 -1.404 454 HA PHE 59 HA PHE 59 3.840 6.758 -3.720 455 HB2 PHE 59 2HB PHE 59 2.024 5.068 -2.012 456 HB3 PHE 59 1HB PHE 59 1.428 6.428 -2.944 457 HD1 PHE 59 1HD PHE 59 3.520 5.806 -5.258 458 HD2 PHE 59 2HD PHE 59 0.544 3.555 -3.210 459 HE1 PHE 59 1HE PHE 59 3.266 4.358 -7.227 460 HE2 PHE 59 2HE PHE 59 0.284 2.105 -5.178 461 HZ PHE 59 HZ PHE 59 1.645 2.505 -7.190 462 H GLY 60 H GLY 60 2.753 8.711 -3.146 463 HA2 GLY 60 2HA GLY 60 3.242 9.486 -0.338 464 HA3 GLY 60 1HA GLY 60 3.569 10.562 -1.686 465 H ARG 61 H ARG 61 2.106 11.868 -0.139 466 HA ARG 61 HA ARG 61 -0.698 11.254 -0.249 467 HB2 ARG 61 2HB ARG 61 -0.955 13.437 0.920 468 HB3 ARG 61 1HB ARG 61 0.139 12.332 1.740 469 HG2 ARG 61 2HG ARG 61 1.781 13.806 0.056 470 HG3 ARG 61 1HG ARG 61 0.625 14.977 0.689 471 HD2 ARG 61 2HD ARG 61 1.770 15.049 2.588 472 HD3 ARG 61 1HD ARG 61 1.408 13.344 2.854 473 HE ARG 61 HE ARG 61 3.894 14.478 1.925 474 HH11 ARG 61 1HH1 ARG 61 1.936 11.595 2.139 475 HH12 ARG 61 2HH1 ARG 61 3.282 10.519 1.971 476 HH21 ARG 61 1HH2 ARG 61 5.663 13.062 1.702 477 HH22 ARG 61 2HH2 ARG 61 5.396 11.350 1.723 478 H GLY 62 H GLY 62 -1.064 11.213 -2.492 479 HA2 GLY 62 2HA GLY 62 -2.306 13.169 -3.718 480 HA3 GLY 62 1HA GLY 62 -0.657 13.709 -3.952 481 H LYS 63 H LYS 63 -1.779 10.354 -4.013 482 HA LYS 63 HA LYS 63 -1.449 10.299 -6.919 483 HB2 LYS 63 2HB LYS 63 0.285 8.962 -4.937 484 HB3 LYS 63 1HB LYS 63 -0.245 7.953 -6.276 485 HG2 LYS 63 2HG LYS 63 0.585 10.418 -7.373 486 HG3 LYS 63 1HG LYS 63 1.816 9.918 -6.213 487 HD2 LYS 63 2HD LYS 63 2.551 8.839 -8.101 488 HD3 LYS 63 1HD LYS 63 1.528 7.589 -7.394 489 HE2 LYS 63 2HE LYS 63 0.600 9.555 -9.483 490 HE3 LYS 63 1HE LYS 63 1.200 7.937 -9.847 491 HZ1 LYS 63 3HZ LYS 63 -1.253 8.691 -8.376 492 HZ2 LYS 63 1HZ LYS 63 -0.595 7.136 -8.271 493 HZ3 LYS 63 2HZ LYS 63 -1.113 7.736 -9.763 494 H MET 64 H MET 64 -2.265 8.369 -4.037 495 HA MET 64 HA MET 64 -4.066 6.724 -5.629 496 HB2 MET 64 2HB MET 64 -3.803 6.443 -2.665 497 HB3 MET 64 1HB MET 64 -4.084 5.206 -3.881 498 HG2 MET 64 2HG MET 64 -1.941 4.691 -3.526 499 HG3 MET 64 1HG MET 64 -1.615 6.061 -4.586 500 HE1 MET 64 3HE MET 64 -0.558 4.418 -1.507 501 HE2 MET 64 1HE MET 64 -2.087 4.972 -0.823 502 HE3 MET 64 2HE MET 64 -0.563 5.616 -0.214 503 H VAL 65 H VAL 65 -6.232 6.188 -4.560 504 HA VAL 65 HA VAL 65 -7.842 8.467 -4.535 505 HB VAL 65 HB VAL 65 -9.638 7.019 -3.683 506 HG11 VAL 65 1HG1 VAL 65 -9.899 6.072 -5.695 507 HG12 VAL 65 2HG1 VAL 65 -8.402 5.150 -5.558 508 HG13 VAL 65 3HG1 VAL 65 -8.357 6.830 -6.092 509 HG21 VAL 65 3HG2 VAL 65 -9.298 5.111 -2.560 510 HG22 VAL 65 1HG2 VAL 65 -7.642 5.684 -2.375 511 HG23 VAL 65 2HG2 VAL 65 -8.047 4.569 -3.679 512 H LYS 66 H LYS 66 -9.317 9.087 -2.679 513 HA LYS 66 HA LYS 66 -7.748 10.067 -0.560 514 HB2 LYS 66 2HB LYS 66 -10.175 10.705 -1.606 515 HB3 LYS 66 1HB LYS 66 -10.654 9.944 -0.095 516 HG2 LYS 66 2HG LYS 66 -10.286 11.882 0.908 517 HG3 LYS 66 1HG LYS 66 -8.564 11.652 0.596 518 HD2 LYS 66 2HD LYS 66 -8.793 12.806 -1.546 519 HD3 LYS 66 1HD LYS 66 -10.521 13.015 -1.256 520 HE2 LYS 66 2HE LYS 66 -10.153 14.849 -0.056 521 HE3 LYS 66 1HE LYS 66 -9.023 13.992 0.990 522 HZ1 LYS 66 3HZ LYS 66 -7.240 14.495 -0.459 523 HZ2 LYS 66 1HZ LYS 66 -8.083 15.943 -0.219 524 HZ3 LYS 66 2HZ LYS 66 -8.273 15.081 -1.662 525 HA PRO 67 HA PRO 67 -10.003 6.813 2.230 526 HB2 PRO 67 2HB PRO 67 -10.742 4.521 0.873 527 HB3 PRO 67 1HB PRO 67 -11.844 5.789 1.383 528 HG2 PRO 67 2HG PRO 67 -10.759 5.183 -1.289 529 HG3 PRO 67 1HG PRO 67 -12.263 6.000 -0.844 530 HD2 PRO 67 2HD PRO 67 -10.000 7.244 -1.818 531 HD3 PRO 67 1HD PRO 67 -11.285 8.046 -0.911 532 H PHE 68 H PHE 68 -8.344 5.562 -0.617 533 HA PHE 68 HA PHE 68 -6.914 3.543 0.825 534 HB2 PHE 68 2HB PHE 68 -7.508 3.581 -1.685 535 HB3 PHE 68 1HB PHE 68 -6.105 4.629 -1.863 536 HD1 PHE 68 1HD PHE 68 -3.854 3.752 -1.109 537 HD2 PHE 68 2HD PHE 68 -7.275 1.265 -1.581 538 HE1 PHE 68 1HE PHE 68 -2.394 1.778 -1.243 539 HE2 PHE 68 2HE PHE 68 -5.821 -0.716 -1.715 540 HZ PHE 68 HZ PHE 68 -3.377 -0.460 -1.546 541 H GLU 69 H GLU 69 -5.983 6.658 -0.640 542 HA GLU 69 HA GLU 69 -3.307 6.634 0.167 543 HB2 GLU 69 2HB GLU 69 -4.419 8.210 -1.479 544 HB3 GLU 69 1HB GLU 69 -5.013 9.109 -0.088 545 HG2 GLU 69 2HG GLU 69 -2.293 8.822 0.379 546 HG3 GLU 69 1HG GLU 69 -2.417 9.149 -1.349 547 H ASP 70 H ASP 70 -6.225 7.520 1.876 548 HA ASP 70 HA ASP 70 -4.982 8.849 4.046 549 HB2 ASP 70 2HB ASP 70 -7.399 9.048 3.463 550 HB3 ASP 70 1HB ASP 70 -7.637 7.398 4.035 551 H ALA 71 H ALA 71 -6.094 5.507 3.598 552 HA ALA 71 HA ALA 71 -5.230 4.665 6.194 553 HB1 ALA 71 1HB ALA 71 -7.003 3.422 5.331 554 HB2 ALA 71 2HB ALA 71 -5.615 2.349 5.164 555 HB3 ALA 71 3HB ALA 71 -6.225 3.225 3.760 556 H ALA 72 H ALA 72 -3.615 5.221 3.258 557 HA ALA 72 HA ALA 72 -1.671 3.238 3.184 558 HB1 ALA 72 1HB ALA 72 -0.523 4.575 1.684 559 HB2 ALA 72 2HB ALA 72 -1.000 6.069 2.493 560 HB3 ALA 72 3HB ALA 72 -2.178 5.169 1.537 561 H PHE 73 H PHE 73 -1.610 6.342 4.913 562 HA PHE 73 HA PHE 73 0.921 5.630 6.170 563 HB2 PHE 73 2HB PHE 73 0.613 7.946 7.239 564 HB3 PHE 73 1HB PHE 73 0.901 7.883 5.504 565 HD1 PHE 73 1HD PHE 73 -1.718 8.298 8.077 566 HD2 PHE 73 2HD PHE 73 -0.663 8.742 3.978 567 HE1 PHE 73 1HE PHE 73 -3.776 9.591 7.691 568 HE2 PHE 73 2HE PHE 73 -2.719 10.036 3.585 569 HZ PHE 73 HZ PHE 73 -4.280 10.459 5.442 570 H ARG 74 H ARG 74 -1.868 4.430 6.776 571 HA ARG 74 HA ARG 74 -2.078 5.088 9.613 572 HB2 ARG 74 2HB ARG 74 -3.918 4.233 7.583 573 HB3 ARG 74 1HB ARG 74 -3.955 3.089 8.917 574 HG2 ARG 74 2HG ARG 74 -5.488 4.533 9.714 575 HG3 ARG 74 1HG ARG 74 -4.052 5.371 10.308 576 HD2 ARG 74 2HD ARG 74 -4.077 6.651 8.115 577 HD3 ARG 74 1HD ARG 74 -5.689 5.982 7.859 578 HE ARG 74 HE ARG 74 -4.948 8.079 9.680 579 HH11 ARG 74 1HH1 ARG 74 -7.291 5.590 8.984 580 HH12 ARG 74 2HH1 ARG 74 -8.560 6.359 9.877 581 HH21 ARG 74 1HH2 ARG 74 -6.614 9.094 10.853 582 HH22 ARG 74 2HH2 ARG 74 -8.176 8.350 10.937 583 H LEU 75 H LEU 75 -1.016 2.529 7.504 584 HA LEU 75 HA LEU 75 -0.687 0.728 9.797 585 HB2 LEU 75 2HB LEU 75 -0.081 -0.073 6.988 586 HB3 LEU 75 1HB LEU 75 -0.614 -1.064 8.329 587 HG LEU 75 HG LEU 75 -2.306 0.837 6.717 588 HD11 LEU 75 1HD1 LEU 75 -3.060 -0.967 5.603 589 HD12 LEU 75 2HD1 LEU 75 -2.972 -2.009 7.023 590 HD13 LEU 75 3HD1 LEU 75 -1.513 -1.663 6.090 591 HD21 LEU 75 3HD2 LEU 75 -3.077 -0.889 9.070 592 HD22 LEU 75 1HD2 LEU 75 -4.170 0.088 8.090 593 HD23 LEU 75 2HD2 LEU 75 -2.946 0.870 9.090 594 H GLN 76 H GLN 76 1.062 2.533 10.246 595 HA GLN 76 HA GLN 76 3.501 2.364 8.801 596 HB2 GLN 76 2HB GLN 76 2.766 3.446 11.511 597 HB3 GLN 76 1HB GLN 76 4.436 3.419 10.959 598 HG2 GLN 76 2HG GLN 76 3.452 4.619 8.857 599 HG3 GLN 76 1HG GLN 76 2.136 5.022 9.956 600 HE21 GLN 76 1HE2 GLN 76 2.366 7.012 10.666 601 HE22 GLN 76 2HE2 GLN 76 3.843 7.755 11.162 602 H VAL 77 H VAL 77 2.036 0.492 11.295 603 HA VAL 77 HA VAL 77 4.378 -0.787 12.292 604 HB VAL 77 HB VAL 77 2.483 -0.855 13.713 605 HG11 VAL 77 1HG1 VAL 77 0.558 -0.523 12.569 606 HG12 VAL 77 2HG1 VAL 77 0.438 -2.275 12.736 607 HG13 VAL 77 3HG1 VAL 77 1.039 -1.571 11.235 608 HG21 VAL 77 3HG2 VAL 77 2.115 -3.633 12.845 609 HG22 VAL 77 1HG2 VAL 77 2.667 -2.987 14.394 610 HG23 VAL 77 2HG2 VAL 77 3.801 -3.151 13.054 611 H GLY 78 H GLY 78 2.299 -1.267 9.552 612 HA2 GLY 78 2HA GLY 78 2.895 -2.514 7.644 613 HA3 GLY 78 1HA GLY 78 4.034 -3.408 8.614 614 H GLU 79 H GLU 79 0.602 -2.835 8.309 615 HA GLU 79 HA GLU 79 0.123 -5.705 8.606 616 HB2 GLU 79 2HB GLU 79 -0.103 -4.233 10.753 617 HB3 GLU 79 1HB GLU 79 -1.613 -3.744 10.029 618 HG2 GLU 79 2HG GLU 79 -1.252 -6.618 10.020 619 HG3 GLU 79 1HG GLU 79 -1.183 -5.925 11.639 620 H VAL 80 H VAL 80 -2.417 -6.009 8.279 621 HA VAL 80 HA VAL 80 -2.935 -4.812 5.718 622 HB VAL 80 HB VAL 80 -4.670 -6.690 7.340 623 HG11 VAL 80 1HG1 VAL 80 -6.246 -5.892 5.924 624 HG12 VAL 80 2HG1 VAL 80 -5.495 -7.031 4.806 625 HG13 VAL 80 3HG1 VAL 80 -5.060 -5.325 4.748 626 HG21 VAL 80 3HG2 VAL 80 -2.712 -7.173 5.099 627 HG22 VAL 80 1HG2 VAL 80 -3.924 -8.356 5.602 628 HG23 VAL 80 2HG2 VAL 80 -2.676 -7.834 6.734 629 H SER 81 H SER 81 -4.792 -3.501 5.222 630 HA SER 81 HA SER 81 -5.634 -1.912 7.538 631 HB2 SER 81 2HB SER 81 -4.831 -0.295 6.167 632 HB3 SER 81 1HB SER 81 -5.020 -1.285 4.720 633 HG SER 81 HG SER 81 -6.722 0.566 5.829 634 H GLU 82 H GLU 82 -7.768 -1.091 7.631 635 HA GLU 82 HA GLU 82 -9.740 -2.997 7.533 636 HB2 GLU 82 2HB GLU 82 -10.144 -0.010 7.380 637 HB3 GLU 82 1HB GLU 82 -11.315 -1.193 7.949 638 HG2 GLU 82 2HG GLU 82 -10.486 -1.095 9.991 639 HG3 GLU 82 1HG GLU 82 -8.883 -1.521 9.390 640 HA PRO 83 HA PRO 83 -11.357 -3.474 3.500 641 HB2 PRO 83 2HB PRO 83 -14.066 -3.176 4.026 642 HB3 PRO 83 1HB PRO 83 -13.153 -4.674 4.228 643 HG2 PRO 83 2HG PRO 83 -13.906 -2.623 6.274 644 HG3 PRO 83 1HG PRO 83 -13.907 -4.392 6.407 645 HD2 PRO 83 2HD PRO 83 -11.936 -2.948 7.489 646 HD3 PRO 83 1HD PRO 83 -11.592 -4.493 6.674 647 H VAL 84 H VAL 84 -10.729 -1.717 2.321 648 HA VAL 84 HA VAL 84 -12.279 0.764 2.588 649 HB VAL 84 HB VAL 84 -9.699 0.248 1.097 650 HG11 VAL 84 1HG1 VAL 84 -11.272 2.789 1.495 651 HG12 VAL 84 2HG1 VAL 84 -10.954 1.958 -0.030 652 HG13 VAL 84 3HG1 VAL 84 -9.629 2.714 0.854 653 HG21 VAL 84 3HG2 VAL 84 -8.851 1.909 2.864 654 HG22 VAL 84 1HG2 VAL 84 -9.131 0.239 3.359 655 HG23 VAL 84 2HG2 VAL 84 -10.313 1.487 3.756 656 H LYS 85 H LYS 85 -14.115 0.474 1.424 657 HA LYS 85 HA LYS 85 -13.959 -0.671 -1.249 658 HB2 LYS 85 2HB LYS 85 -15.777 -1.273 0.407 659 HB3 LYS 85 1HB LYS 85 -16.414 0.348 0.178 660 HG2 LYS 85 2HG LYS 85 -15.957 -1.417 -2.186 661 HG3 LYS 85 1HG LYS 85 -17.392 -1.631 -1.181 662 HD2 LYS 85 2HD LYS 85 -17.364 1.074 -1.553 663 HD3 LYS 85 1HD LYS 85 -16.726 0.488 -3.092 664 HE2 LYS 85 2HE LYS 85 -19.285 -0.454 -1.802 665 HE3 LYS 85 1HE LYS 85 -19.185 0.739 -3.097 666 HZ1 LYS 85 3HZ LYS 85 -17.861 -1.811 -3.571 667 HZ2 LYS 85 1HZ LYS 85 -18.744 -0.834 -4.633 668 HZ3 LYS 85 2HZ LYS 85 -19.552 -1.840 -3.539 669 H SER 86 H SER 86 -13.441 0.625 -2.863 670 HA SER 86 HA SER 86 -14.438 3.399 -2.818 671 HB2 SER 86 2HB SER 86 -11.958 2.254 -4.125 672 HB3 SER 86 1HB SER 86 -12.528 3.907 -4.359 673 HG SER 86 HG SER 86 -12.407 4.027 -1.966 674 H GLU 87 H GLU 87 -14.228 4.188 -5.345 675 HA GLU 87 HA GLU 87 -16.432 3.083 -6.637 676 HB2 GLU 87 2HB GLU 87 -15.593 4.315 -8.659 677 HB3 GLU 87 1HB GLU 87 -15.733 5.296 -7.206 678 HG2 GLU 87 2HG GLU 87 -13.105 4.071 -7.562 679 HG3 GLU 87 1HG GLU 87 -13.560 5.192 -8.845 680 H PHE 88 H PHE 88 -13.160 2.024 -6.556 681 HA PHE 88 HA PHE 88 -13.378 0.408 -8.950 682 HB2 PHE 88 2HB PHE 88 -11.247 1.364 -7.243 683 HB3 PHE 88 1HB PHE 88 -11.083 -0.362 -7.535 684 HD1 PHE 88 1HD PHE 88 -11.575 -0.997 -10.118 685 HD2 PHE 88 2HD PHE 88 -10.140 2.745 -8.684 686 HE1 PHE 88 1HE PHE 88 -10.602 -0.528 -12.328 687 HE2 PHE 88 2HE PHE 88 -9.164 3.222 -10.892 688 HZ PHE 88 HZ PHE 88 -9.394 1.583 -12.717 689 H GLY 89 H GLY 89 -13.871 0.048 -5.536 690 HA2 GLY 89 2HA GLY 89 -15.355 -2.033 -5.213 691 HA3 GLY 89 1HA GLY 89 -13.949 -2.884 -5.829 692 H TYR 90 H TYR 90 -14.366 -3.968 -3.679 693 HA TYR 90 HA TYR 90 -13.628 -2.568 -1.300 694 HB2 TYR 90 2HB TYR 90 -14.720 -5.116 -2.031 695 HB3 TYR 90 1HB TYR 90 -13.360 -5.370 -0.953 696 HD1 TYR 90 1HD TYR 90 -16.508 -3.412 -1.284 697 HD2 TYR 90 2HD TYR 90 -13.670 -5.149 1.361 698 HE1 TYR 90 1HE TYR 90 -17.959 -2.866 0.624 699 HE2 TYR 90 2HE TYR 90 -15.116 -4.618 3.275 700 HH TYR 90 HH TYR 90 -16.921 -2.955 3.810 701 H HIS 91 H HIS 91 -11.615 -1.728 -1.405 702 HA HIS 91 HA HIS 91 -9.394 -3.273 -2.421 703 HB2 HIS 91 2HB HIS 91 -9.562 -0.491 -1.256 704 HB3 HIS 91 1HB HIS 91 -8.093 -1.205 -1.902 705 HD1 HIS 91 1HD HIS 91 -11.474 0.038 -2.985 706 HD2 HIS 91 2HD HIS 91 -7.856 -1.142 -4.655 707 HE1 HIS 91 1HE HIS 91 -11.616 0.673 -5.414 708 HE2 HIS 91 2HE HIS 91 -9.378 0.038 -6.381 709 H VAL 92 H VAL 92 -7.315 -3.198 -1.187 710 HA VAL 92 HA VAL 92 -7.573 -3.421 1.710 711 HB VAL 92 HB VAL 92 -6.359 -5.650 0.063 712 HG11 VAL 92 1HG1 VAL 92 -6.479 -5.019 2.950 713 HG12 VAL 92 2HG1 VAL 92 -5.246 -5.873 2.025 714 HG13 VAL 92 3HG1 VAL 92 -6.728 -6.705 2.493 715 HG21 VAL 92 3HG2 VAL 92 -8.343 -6.927 1.164 716 HG22 VAL 92 1HG2 VAL 92 -8.615 -5.983 -0.301 717 HG23 VAL 92 2HG2 VAL 92 -9.073 -5.326 1.269 718 H ILE 93 H ILE 93 -5.493 -3.272 2.797 719 HA ILE 93 HA ILE 93 -3.261 -2.523 1.039 720 HB ILE 93 HB ILE 93 -3.414 -0.856 3.440 721 HG12 ILE 93 2HG1 ILE 93 -5.489 -0.514 1.263 722 HG13 ILE 93 1HG1 ILE 93 -5.811 -0.938 2.940 723 HG21 ILE 93 1HG2 ILE 93 -3.323 0.476 0.867 724 HG22 ILE 93 2HG2 ILE 93 -2.139 -0.822 0.986 725 HG23 ILE 93 3HG2 ILE 93 -2.149 0.474 2.180 726 HD11 ILE 93 3HD1 ILE 93 -6.278 1.301 2.931 727 HD12 ILE 93 1HD1 ILE 93 -5.008 1.674 1.764 728 HD13 ILE 93 2HD1 ILE 93 -4.588 1.309 3.437 729 H LYS 94 H LYS 94 -1.480 -3.560 1.546 730 HA LYS 94 HA LYS 94 -0.949 -4.257 4.355 731 HB2 LYS 94 2HB LYS 94 -1.618 -6.315 3.314 732 HB3 LYS 94 1HB LYS 94 -0.596 -6.012 1.920 733 HG2 LYS 94 2HG LYS 94 0.342 -7.712 3.406 734 HG3 LYS 94 1HG LYS 94 1.392 -6.300 3.271 735 HD2 LYS 94 2HD LYS 94 0.808 -5.529 5.416 736 HD3 LYS 94 1HD LYS 94 -0.596 -6.595 5.506 737 HE2 LYS 94 2HE LYS 94 1.643 -8.253 5.105 738 HE3 LYS 94 1HE LYS 94 2.108 -7.078 6.333 739 HZ1 LYS 94 3HZ LYS 94 0.371 -7.744 7.725 740 HZ2 LYS 94 1HZ LYS 94 1.002 -9.196 7.124 741 HZ3 LYS 94 2HZ LYS 94 -0.438 -8.573 6.491 742 H ARG 95 H ARG 95 0.759 -3.088 4.953 743 HA ARG 95 HA ARG 95 2.469 -1.720 3.267 744 HB2 ARG 95 2HB ARG 95 2.038 -1.752 5.946 745 HB3 ARG 95 1HB ARG 95 3.635 -2.481 5.852 746 HG2 ARG 95 2HG ARG 95 3.819 -0.312 4.159 747 HG3 ARG 95 1HG ARG 95 2.824 0.279 5.490 748 HD2 ARG 95 2HD ARG 95 5.080 0.727 6.072 749 HD3 ARG 95 1HD ARG 95 4.561 -0.640 7.058 750 HE ARG 95 HE ARG 95 5.718 -1.764 4.846 751 HH11 ARG 95 1HH1 ARG 95 6.746 0.474 7.319 752 HH12 ARG 95 2HH1 ARG 95 8.407 -0.013 7.245 753 HH21 ARG 95 1HH2 ARG 95 7.902 -2.404 4.746 754 HH22 ARG 95 2HH2 ARG 95 9.063 -1.646 5.785 755 H LEU 96 H LEU 96 4.341 -2.062 2.328 756 HA LEU 96 HA LEU 96 6.051 -4.251 2.937 757 HB2 LEU 96 2HB LEU 96 5.608 -5.625 1.226 758 HB3 LEU 96 1HB LEU 96 4.035 -4.870 1.249 759 HG LEU 96 HG LEU 96 5.044 -3.229 -0.485 760 HD11 LEU 96 1HD1 LEU 96 7.282 -3.602 -0.656 761 HD12 LEU 96 2HD1 LEU 96 6.722 -4.726 -1.897 762 HD13 LEU 96 3HD1 LEU 96 7.133 -5.322 -0.290 763 HD21 LEU 96 3HD2 LEU 96 3.638 -4.343 -1.775 764 HD22 LEU 96 1HD2 LEU 96 3.717 -5.730 -0.689 765 HD23 LEU 96 2HD2 LEU 96 4.854 -5.595 -2.031 766 H GLY 97 H GLY 97 7.961 -3.320 2.858 767 HA2 GLY 97 2HA GLY 97 8.796 -1.831 0.527 768 HA3 GLY 97 1HA GLY 97 8.703 -0.886 1.999 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 16.510 20.157 10.058 2 H2 GLY 1 2HT GLY 1 16.841 18.552 10.474 3 H3 GLY 1 3HT GLY 1 15.633 18.899 9.343 4 HA2 GLY 1 1HA GLY 1 17.844 20.110 8.301 5 HA3 GLY 1 2HA GLY 1 18.457 18.605 8.967 6 HA PRO 2 HA PRO 2 15.174 17.224 5.720 7 HB2 PRO 2 2HB PRO 2 13.983 19.136 4.213 8 HB3 PRO 2 1HB PRO 2 13.326 18.590 5.760 9 HG2 PRO 2 2HG PRO 2 14.957 21.025 5.149 10 HG3 PRO 2 1HG PRO 2 13.524 20.870 6.182 11 HD2 PRO 2 2HD PRO 2 16.043 20.955 7.179 12 HD3 PRO 2 1HD PRO 2 14.738 20.032 7.953 13 H MET 3 H MET 3 17.131 16.533 4.766 14 HA MET 3 HA MET 3 17.699 17.835 2.220 15 HB2 MET 3 2HB MET 3 19.430 18.030 4.486 16 HB3 MET 3 1HB MET 3 20.218 17.036 3.268 17 HG2 MET 3 2HG MET 3 20.500 18.754 1.846 18 HG3 MET 3 1HG MET 3 18.969 19.511 2.284 19 HE1 MET 3 3HE MET 3 22.688 20.345 2.327 20 HE2 MET 3 1HE MET 3 22.160 21.944 2.851 21 HE3 MET 3 2HE MET 3 21.298 21.112 1.558 22 H GLY 4 H GLY 4 17.366 16.274 0.781 23 HA2 GLY 4 2HA GLY 4 18.170 14.314 -0.325 24 HA3 GLY 4 1HA GLY 4 18.649 13.668 1.237 25 H SER 5 H SER 5 15.549 15.063 0.212 26 HA SER 5 HA SER 5 14.083 12.945 1.444 27 HB2 SER 5 2HB SER 5 13.247 15.297 1.227 28 HB3 SER 5 1HB SER 5 13.061 15.024 -0.505 29 HG SER 5 HG SER 5 11.467 13.575 -0.117 30 H MET 6 H MET 6 13.594 11.022 0.620 31 HA MET 6 HA MET 6 13.192 10.729 -2.251 32 HB2 MET 6 2HB MET 6 15.411 9.487 -0.702 33 HB3 MET 6 1HB MET 6 14.632 8.514 -1.942 34 HG2 MET 6 2HG MET 6 15.291 9.948 -3.653 35 HG3 MET 6 1HG MET 6 15.633 11.270 -2.540 36 HE1 MET 6 3HE MET 6 17.685 11.962 -3.292 37 HE2 MET 6 1HE MET 6 18.132 10.839 -4.578 38 HE3 MET 6 2HE MET 6 19.230 11.113 -3.225 39 H ALA 7 H ALA 7 13.190 9.141 0.927 40 HA ALA 7 HA ALA 7 11.187 7.234 -0.003 41 HB1 ALA 7 1HB ALA 7 12.245 7.367 2.798 42 HB2 ALA 7 2HB ALA 7 13.196 6.655 1.493 43 HB3 ALA 7 3HB ALA 7 11.620 5.978 1.907 44 H ASP 8 H ASP 8 10.508 10.069 0.229 45 HA ASP 8 HA ASP 8 9.001 10.592 2.548 46 HB2 ASP 8 2HB ASP 8 9.739 12.074 0.410 47 HB3 ASP 8 1HB ASP 8 8.055 11.767 -0.001 48 H LYS 9 H LYS 9 8.422 8.533 -0.112 49 HA LYS 9 HA LYS 9 5.558 8.518 0.092 50 HB2 LYS 9 2HB LYS 9 7.560 6.938 -1.477 51 HB3 LYS 9 1HB LYS 9 5.845 6.575 -1.508 52 HG2 LYS 9 2HG LYS 9 6.488 7.924 -3.404 53 HG3 LYS 9 1HG LYS 9 5.383 8.813 -2.357 54 HD2 LYS 9 2HD LYS 9 7.158 10.098 -1.456 55 HD3 LYS 9 1HD LYS 9 8.373 9.074 -2.218 56 HE2 LYS 9 2HE LYS 9 8.382 10.523 -3.889 57 HE3 LYS 9 1HE LYS 9 6.792 9.911 -4.323 58 HZ1 LYS 9 3HZ LYS 9 6.738 11.897 -2.240 59 HZ2 LYS 9 1HZ LYS 9 5.814 11.786 -3.653 60 HZ3 LYS 9 2HZ LYS 9 7.356 12.480 -3.702 61 H ILE 10 H ILE 10 4.487 6.346 0.146 62 HA ILE 10 HA ILE 10 5.553 4.824 2.430 63 HB ILE 10 HB ILE 10 2.709 4.438 1.751 64 HG12 ILE 10 2HG1 ILE 10 3.560 6.984 3.138 65 HG13 ILE 10 1HG1 ILE 10 3.053 6.910 1.454 66 HG21 ILE 10 1HG2 ILE 10 2.508 4.494 4.210 67 HG22 ILE 10 2HG2 ILE 10 4.224 4.885 4.317 68 HG23 ILE 10 3HG2 ILE 10 3.714 3.336 3.646 69 HD11 ILE 10 3HD1 ILE 10 1.263 7.637 2.972 70 HD12 ILE 10 1HD1 ILE 10 1.362 6.082 3.795 71 HD13 ILE 10 2HD1 ILE 10 0.864 6.153 2.106 72 H LYS 11 H LYS 11 5.704 2.671 2.265 73 HA LYS 11 HA LYS 11 5.238 1.562 -0.409 74 HB2 LYS 11 2HB LYS 11 7.119 0.451 1.669 75 HB3 LYS 11 1HB LYS 11 7.083 0.118 -0.061 76 HG2 LYS 11 2HG LYS 11 8.337 1.896 -0.558 77 HG3 LYS 11 1HG LYS 11 7.448 2.967 0.537 78 HD2 LYS 11 2HD LYS 11 9.405 2.946 1.670 79 HD3 LYS 11 1HD LYS 11 8.773 1.432 2.322 80 HE2 LYS 11 2HE LYS 11 10.421 0.269 1.384 81 HE3 LYS 11 1HE LYS 11 10.087 0.974 -0.198 82 HZ1 LYS 11 3HZ LYS 11 11.857 2.051 1.922 83 HZ2 LYS 11 1HZ LYS 11 11.383 2.952 0.571 84 HZ3 LYS 11 2HZ LYS 11 12.295 1.541 0.369 85 H CYS 12 H CYS 12 3.216 0.795 -0.284 86 HA CYS 12 HA CYS 12 2.698 -1.289 1.727 87 HB2 CYS 12 2HB CYS 12 1.471 1.018 1.867 88 HB3 CYS 12 1HB CYS 12 0.500 0.380 0.547 89 HG CYS 12 HG CYS 12 0.440 -0.580 3.473 90 H SER 13 H SER 13 0.595 -2.549 0.920 91 HA SER 13 HA SER 13 0.966 -3.204 -1.924 92 HB2 SER 13 2HB SER 13 -0.004 -5.354 -0.131 93 HB3 SER 13 1HB SER 13 1.110 -5.442 -1.494 94 HG SER 13 HG SER 13 1.617 -5.010 1.193 95 H HIS 14 H HIS 14 -1.012 -4.206 -2.924 96 HA HIS 14 HA HIS 14 -3.462 -3.469 -1.498 97 HB2 HIS 14 2HB HIS 14 -4.366 -2.233 -3.298 98 HB3 HIS 14 1HB HIS 14 -2.726 -1.635 -3.082 99 HD1 HIS 14 1HD HIS 14 -1.858 -4.494 -4.700 100 HD2 HIS 14 2HD HIS 14 -4.021 -1.187 -5.983 101 HE1 HIS 14 1HE HIS 14 -1.678 -4.505 -7.208 102 HE2 HIS 14 2HE HIS 14 -2.929 -2.451 -7.956 103 H ILE 15 H ILE 15 -5.372 -4.430 -2.180 104 HA ILE 15 HA ILE 15 -5.290 -6.569 -4.133 105 HB ILE 15 HB ILE 15 -5.565 -7.069 -1.178 106 HG12 ILE 15 2HG1 ILE 15 -4.187 -9.142 -2.126 107 HG13 ILE 15 1HG1 ILE 15 -3.834 -8.001 -3.415 108 HG21 ILE 15 1HG2 ILE 15 -6.169 -9.484 -2.404 109 HG22 ILE 15 2HG2 ILE 15 -7.151 -8.302 -3.268 110 HG23 ILE 15 3HG2 ILE 15 -7.283 -8.446 -1.517 111 HD11 ILE 15 3HD1 ILE 15 -2.171 -7.281 -2.143 112 HD12 ILE 15 1HD1 ILE 15 -2.772 -8.157 -0.735 113 HD13 ILE 15 2HD1 ILE 15 -3.398 -6.551 -1.106 114 H LEU 16 H LEU 16 -7.070 -6.205 -5.280 115 HA LEU 16 HA LEU 16 -9.406 -5.030 -3.970 116 HB2 LEU 16 2HB LEU 16 -8.145 -4.653 -6.487 117 HB3 LEU 16 1HB LEU 16 -9.753 -5.271 -6.787 118 HG LEU 16 HG LEU 16 -9.371 -2.959 -4.924 119 HD11 LEU 16 1HD1 LEU 16 -8.867 -2.999 -7.797 120 HD12 LEU 16 2HD1 LEU 16 -8.476 -1.770 -6.592 121 HD13 LEU 16 3HD1 LEU 16 -10.083 -1.819 -7.313 122 HD21 LEU 16 3HD2 LEU 16 -11.579 -4.283 -6.367 123 HD22 LEU 16 1HD2 LEU 16 -11.648 -2.523 -6.272 124 HD23 LEU 16 2HD2 LEU 16 -11.565 -3.482 -4.795 125 H VAL 17 H VAL 17 -11.211 -6.130 -3.622 126 HA VAL 17 HA VAL 17 -11.872 -8.437 -5.268 127 HB VAL 17 HB VAL 17 -12.258 -9.941 -3.455 128 HG11 VAL 17 1HG1 VAL 17 -10.115 -10.578 -3.204 129 HG12 VAL 17 2HG1 VAL 17 -9.622 -9.022 -2.538 130 HG13 VAL 17 3HG1 VAL 17 -9.783 -9.225 -4.280 131 HG21 VAL 17 3HG2 VAL 17 -11.455 -9.205 -1.104 132 HG22 VAL 17 1HG2 VAL 17 -13.048 -8.696 -1.663 133 HG23 VAL 17 2HG2 VAL 17 -11.692 -7.568 -1.718 134 H LYS 18 H LYS 18 -14.029 -8.588 -5.638 135 HA LYS 18 HA LYS 18 -15.688 -6.449 -4.709 136 HB2 LYS 18 2HB LYS 18 -16.273 -8.861 -6.430 137 HB3 LYS 18 1HB LYS 18 -17.455 -7.607 -6.075 138 HG2 LYS 18 2HG LYS 18 -16.656 -6.310 -7.681 139 HG3 LYS 18 1HG LYS 18 -15.020 -6.425 -7.031 140 HD2 LYS 18 2HD LYS 18 -14.486 -8.257 -8.356 141 HD3 LYS 18 1HD LYS 18 -16.178 -8.685 -8.617 142 HE2 LYS 18 2HE LYS 18 -16.437 -7.195 -10.311 143 HE3 LYS 18 1HE LYS 18 -15.300 -6.042 -9.614 144 HZ1 LYS 18 3HZ LYS 18 -14.794 -8.317 -11.381 145 HZ2 LYS 18 1HZ LYS 18 -13.609 -7.938 -10.234 146 HZ3 LYS 18 2HZ LYS 18 -14.088 -6.780 -11.370 147 H LYS 19 H LYS 19 -15.416 -9.887 -3.955 148 HA LYS 19 HA LYS 19 -17.796 -9.962 -2.389 149 HB2 LYS 19 2HB LYS 19 -17.298 -12.091 -3.044 150 HB3 LYS 19 1HB LYS 19 -15.565 -11.799 -3.046 151 HG2 LYS 19 2HG LYS 19 -15.398 -12.171 -0.759 152 HG3 LYS 19 1HG LYS 19 -17.138 -12.077 -0.510 153 HD2 LYS 19 2HD LYS 19 -16.728 -14.112 -2.401 154 HD3 LYS 19 1HD LYS 19 -15.501 -14.356 -1.156 155 HE2 LYS 19 2HE LYS 19 -18.490 -14.271 -0.845 156 HE3 LYS 19 1HE LYS 19 -17.389 -15.593 -0.460 157 HZ1 LYS 19 3HZ LYS 19 -18.047 -13.217 1.081 158 HZ2 LYS 19 1HZ LYS 19 -16.424 -13.693 1.118 159 HZ3 LYS 19 2HZ LYS 19 -17.633 -14.770 1.608 160 H GLN 20 H GLN 20 -17.456 -8.049 -1.173 161 HA GLN 20 HA GLN 20 -15.361 -7.322 0.365 162 HB2 GLN 20 2HB GLN 20 -17.240 -5.865 0.170 163 HB3 GLN 20 1HB GLN 20 -18.307 -7.032 0.933 164 HG2 GLN 20 2HG GLN 20 -16.853 -6.742 3.012 165 HG3 GLN 20 1HG GLN 20 -16.192 -5.326 2.200 166 HE21 GLN 20 1HE2 GLN 20 -17.098 -4.289 4.151 167 HE22 GLN 20 2HE2 GLN 20 -18.749 -3.779 4.107 168 H GLY 21 H GLY 21 -17.463 -10.016 1.068 169 HA2 GLY 21 2HA GLY 21 -16.850 -10.148 3.838 170 HA3 GLY 21 1HA GLY 21 -17.421 -11.491 2.854 171 H GLU 22 H GLU 22 -15.248 -11.211 0.941 172 HA GLU 22 HA GLU 22 -13.310 -12.839 2.266 173 HB2 GLU 22 2HB GLU 22 -12.308 -13.085 0.152 174 HB3 GLU 22 1HB GLU 22 -14.030 -13.003 -0.153 175 HG2 GLU 22 2HG GLU 22 -13.775 -11.292 -1.510 176 HG3 GLU 22 1HG GLU 22 -12.850 -10.399 -0.308 177 H ALA 23 H ALA 23 -13.520 -9.525 1.173 178 HA ALA 23 HA ALA 23 -10.887 -8.702 1.474 179 HB1 ALA 23 1HB ALA 23 -12.474 -7.221 0.455 180 HB2 ALA 23 2HB ALA 23 -11.870 -6.428 1.912 181 HB3 ALA 23 3HB ALA 23 -13.461 -7.187 1.918 182 H LEU 24 H LEU 24 -13.422 -9.198 3.858 183 HA LEU 24 HA LEU 24 -11.952 -8.080 6.051 184 HB2 LEU 24 2HB LEU 24 -14.567 -8.712 5.655 185 HB3 LEU 24 1HB LEU 24 -14.049 -10.075 6.630 186 HG LEU 24 HG LEU 24 -14.981 -8.370 8.061 187 HD11 LEU 24 1HD1 LEU 24 -13.212 -8.145 9.636 188 HD12 LEU 24 2HD1 LEU 24 -11.988 -8.306 8.376 189 HD13 LEU 24 3HD1 LEU 24 -12.991 -9.689 8.813 190 HD21 LEU 24 3HD2 LEU 24 -14.844 -6.306 7.142 191 HD22 LEU 24 1HD2 LEU 24 -13.253 -6.602 6.440 192 HD23 LEU 24 2HD2 LEU 24 -13.402 -6.214 8.153 193 H ALA 25 H ALA 25 -12.199 -11.203 4.542 194 HA ALA 25 HA ALA 25 -10.908 -12.598 6.723 195 HB1 ALA 25 1HB ALA 25 -10.871 -14.468 4.933 196 HB2 ALA 25 2HB ALA 25 -11.915 -13.383 4.013 197 HB3 ALA 25 3HB ALA 25 -12.421 -13.958 5.602 198 H VAL 26 H VAL 26 -10.058 -11.680 3.393 199 HA VAL 26 HA VAL 26 -7.534 -12.742 3.217 200 HB VAL 26 HB VAL 26 -7.050 -11.237 1.478 201 HG11 VAL 26 1HG1 VAL 26 -9.885 -10.895 0.998 202 HG12 VAL 26 2HG1 VAL 26 -9.506 -12.511 1.593 203 HG13 VAL 26 3HG1 VAL 26 -8.707 -11.894 0.148 204 HG21 VAL 26 3HG2 VAL 26 -9.051 -9.337 2.696 205 HG22 VAL 26 1HG2 VAL 26 -8.224 -9.088 1.158 206 HG23 VAL 26 2HG2 VAL 26 -7.298 -9.143 2.660 207 H GLN 27 H GLN 27 -8.522 -9.740 4.802 208 HA GLN 27 HA GLN 27 -5.965 -8.728 5.309 209 HB2 GLN 27 2HB GLN 27 -6.978 -7.292 6.923 210 HB3 GLN 27 1HB GLN 27 -8.156 -7.510 5.636 211 HG2 GLN 27 2HG GLN 27 -9.464 -8.952 6.948 212 HG3 GLN 27 1HG GLN 27 -8.209 -9.117 8.168 213 HE21 GLN 27 1HE2 GLN 27 -9.366 -6.196 6.568 214 HE22 GLN 27 2HE2 GLN 27 -9.938 -5.421 8.001 215 H GLU 28 H GLU 28 -8.028 -10.845 7.270 216 HA GLU 28 HA GLU 28 -6.066 -11.223 9.314 217 HB2 GLU 28 2HB GLU 28 -7.614 -12.698 10.321 218 HB3 GLU 28 1HB GLU 28 -8.593 -11.452 9.560 219 HG2 GLU 28 2HG GLU 28 -9.392 -12.870 7.940 220 HG3 GLU 28 1HG GLU 28 -8.028 -13.977 8.076 221 H ARG 29 H ARG 29 -6.889 -12.764 6.328 222 HA ARG 29 HA ARG 29 -5.444 -15.194 6.796 223 HB2 ARG 29 2HB ARG 29 -7.453 -14.612 5.180 224 HB3 ARG 29 1HB ARG 29 -6.153 -14.234 4.062 225 HG2 ARG 29 2HG ARG 29 -6.992 -16.511 3.787 226 HG3 ARG 29 1HG ARG 29 -5.289 -16.486 4.256 227 HD2 ARG 29 2HD ARG 29 -6.898 -16.544 6.613 228 HD3 ARG 29 1HD ARG 29 -7.446 -17.814 5.522 229 HE ARG 29 HE ARG 29 -4.922 -17.679 6.910 230 HH11 ARG 29 1HH1 ARG 29 -6.678 -19.095 4.247 231 HH12 ARG 29 2HH1 ARG 29 -5.643 -20.478 4.138 232 HH21 ARG 29 1HH2 ARG 29 -3.560 -19.498 6.768 233 HH22 ARG 29 2HH2 ARG 29 -3.872 -20.707 5.569 234 H LEU 30 H LEU 30 -4.751 -12.097 5.343 235 HA LEU 30 HA LEU 30 -2.522 -12.723 3.810 236 HB2 LEU 30 2HB LEU 30 -3.814 -10.527 3.998 237 HB3 LEU 30 1HB LEU 30 -2.809 -10.176 5.387 238 HG LEU 30 HG LEU 30 -1.965 -9.074 3.380 239 HD11 LEU 30 1HD1 LEU 30 -0.488 -10.292 5.222 240 HD12 LEU 30 2HD1 LEU 30 0.222 -9.440 3.851 241 HD13 LEU 30 3HD1 LEU 30 0.054 -11.195 3.808 242 HD21 LEU 30 3HD2 LEU 30 -1.062 -11.564 2.107 243 HD22 LEU 30 1HD2 LEU 30 -1.660 -10.068 1.388 244 HD23 LEU 30 2HD2 LEU 30 -2.796 -11.259 2.020 245 H LYS 31 H LYS 31 -2.509 -11.429 7.142 246 HA LYS 31 HA LYS 31 0.275 -11.934 7.494 247 HB2 LYS 31 2HB LYS 31 -0.096 -11.281 9.814 248 HB3 LYS 31 1HB LYS 31 -0.882 -10.159 8.715 249 HG2 LYS 31 2HG LYS 31 -2.697 -12.258 9.446 250 HG3 LYS 31 1HG LYS 31 -2.012 -11.507 10.889 251 HD2 LYS 31 2HD LYS 31 -2.671 -9.445 9.042 252 HD3 LYS 31 1HD LYS 31 -4.057 -10.527 9.177 253 HE2 LYS 31 2HE LYS 31 -2.783 -9.857 11.731 254 HE3 LYS 31 1HE LYS 31 -3.496 -8.483 10.889 255 HZ1 LYS 31 3HZ LYS 31 -5.599 -9.410 10.984 256 HZ2 LYS 31 1HZ LYS 31 -4.950 -9.835 12.487 257 HZ3 LYS 31 2HZ LYS 31 -5.024 -10.979 11.243 258 H ALA 32 H ALA 32 -2.376 -13.998 7.516 259 HA ALA 32 HA ALA 32 -1.839 -15.724 9.640 260 HB1 ALA 32 1HB ALA 32 -3.665 -15.616 7.555 261 HB2 ALA 32 2HB ALA 32 -3.605 -16.819 8.845 262 HB3 ALA 32 3HB ALA 32 -2.804 -17.136 7.306 263 H GLY 33 H GLY 33 -0.182 -15.285 6.644 264 HA2 GLY 33 2HA GLY 33 2.152 -16.440 7.140 265 HA3 GLY 33 1HA GLY 33 1.156 -17.845 6.806 266 H GLU 34 H GLU 34 -0.367 -15.930 4.882 267 HA GLU 34 HA GLU 34 1.274 -16.618 2.582 268 HB2 GLU 34 2HB GLU 34 -0.762 -15.728 1.314 269 HB3 GLU 34 1HB GLU 34 -0.979 -17.195 2.258 270 HG2 GLU 34 2HG GLU 34 -2.093 -16.001 3.996 271 HG3 GLU 34 1HG GLU 34 -1.707 -14.452 3.248 272 H LYS 35 H LYS 35 1.695 -15.066 0.874 273 HA LYS 35 HA LYS 35 2.280 -12.416 1.986 274 HB2 LYS 35 2HB LYS 35 4.051 -12.240 0.486 275 HB3 LYS 35 1HB LYS 35 4.064 -13.947 0.904 276 HG2 LYS 35 2HG LYS 35 2.824 -14.431 -1.176 277 HG3 LYS 35 1HG LYS 35 2.926 -12.720 -1.600 278 HD2 LYS 35 2HD LYS 35 5.519 -13.217 -1.110 279 HD3 LYS 35 1HD LYS 35 5.010 -14.820 -1.641 280 HE2 LYS 35 2HE LYS 35 3.873 -13.469 -3.582 281 HE3 LYS 35 1HE LYS 35 5.067 -12.248 -3.147 282 HZ1 LYS 35 3HZ LYS 35 5.437 -14.835 -4.418 283 HZ2 LYS 35 1HZ LYS 35 6.606 -14.407 -3.270 284 HZ3 LYS 35 2HZ LYS 35 6.318 -13.402 -4.600 285 H PHE 36 H PHE 36 1.916 -10.532 0.762 286 HA PHE 36 HA PHE 36 -0.623 -10.240 -0.282 287 HB2 PHE 36 2HB PHE 36 0.479 -8.145 -1.418 288 HB3 PHE 36 1HB PHE 36 0.318 -8.223 0.329 289 HD1 PHE 36 1HD PHE 36 2.690 -8.750 -2.464 290 HD2 PHE 36 2HD PHE 36 2.202 -8.108 1.713 291 HE1 PHE 36 1HE PHE 36 5.116 -8.413 -2.238 292 HE2 PHE 36 2HE PHE 36 4.628 -7.770 1.948 293 HZ PHE 36 HZ PHE 36 6.088 -7.922 -0.030 294 H GLY 37 H GLY 37 2.413 -10.864 -1.979 295 HA2 GLY 37 2HA GLY 37 1.571 -10.510 -4.604 296 HA3 GLY 37 1HA GLY 37 2.829 -11.628 -4.102 297 H LYS 38 H LYS 38 1.073 -13.254 -2.461 298 HA LYS 38 HA LYS 38 0.187 -15.065 -4.448 299 HB2 LYS 38 2HB LYS 38 0.822 -15.303 -1.829 300 HB3 LYS 38 1HB LYS 38 -0.933 -15.326 -1.721 301 HG2 LYS 38 2HG LYS 38 0.491 -17.105 -3.656 302 HG3 LYS 38 1HG LYS 38 0.346 -17.551 -1.954 303 HD2 LYS 38 2HD LYS 38 -2.039 -16.749 -3.596 304 HD3 LYS 38 1HD LYS 38 -1.448 -18.412 -3.560 305 HE2 LYS 38 2HE LYS 38 -2.892 -18.583 -1.829 306 HE3 LYS 38 1HE LYS 38 -1.534 -17.910 -0.926 307 HZ1 LYS 38 3HZ LYS 38 -3.318 -15.983 -2.174 308 HZ2 LYS 38 1HZ LYS 38 -2.575 -15.946 -0.654 309 HZ3 LYS 38 2HZ LYS 38 -3.974 -16.868 -0.889 310 H LEU 39 H LEU 39 -1.629 -13.111 -2.094 311 HA LEU 39 HA LEU 39 -4.194 -13.752 -2.923 312 HB2 LEU 39 2HB LEU 39 -3.161 -11.164 -1.774 313 HB3 LEU 39 1HB LEU 39 -4.856 -11.551 -1.952 314 HG LEU 39 HG LEU 39 -4.314 -11.928 0.321 315 HD11 LEU 39 1HD1 LEU 39 -5.769 -13.611 -0.499 316 HD12 LEU 39 2HD1 LEU 39 -4.600 -14.396 0.560 317 HD13 LEU 39 3HD1 LEU 39 -4.428 -14.526 -1.190 318 HD21 LEU 39 3HD2 LEU 39 -2.145 -13.872 -0.351 319 HD22 LEU 39 1HD2 LEU 39 -2.445 -13.003 1.153 320 HD23 LEU 39 2HD2 LEU 39 -1.799 -12.146 -0.245 321 H ALA 40 H ALA 40 -1.879 -11.481 -4.253 322 HA ALA 40 HA ALA 40 -3.477 -9.857 -5.795 323 HB1 ALA 40 1HB ALA 40 -0.777 -10.991 -6.494 324 HB2 ALA 40 2HB ALA 40 -1.096 -9.507 -5.596 325 HB3 ALA 40 3HB ALA 40 -1.541 -9.621 -7.300 326 H LYS 41 H LYS 41 -2.024 -12.943 -6.783 327 HA LYS 41 HA LYS 41 -3.671 -13.034 -9.165 328 HB2 LYS 41 2HB LYS 41 -2.472 -15.232 -9.521 329 HB3 LYS 41 1HB LYS 41 -1.452 -13.801 -9.488 330 HG2 LYS 41 2HG LYS 41 -0.349 -14.474 -7.660 331 HG3 LYS 41 1HG LYS 41 -1.806 -15.101 -6.887 332 HD2 LYS 41 2HD LYS 41 -1.513 -16.887 -8.889 333 HD3 LYS 41 1HD LYS 41 0.175 -16.463 -8.597 334 HE2 LYS 41 2HE LYS 41 -0.090 -17.007 -6.234 335 HE3 LYS 41 1HE LYS 41 -1.788 -17.396 -6.503 336 HZ1 LYS 41 3HZ LYS 41 -0.943 -19.102 -8.142 337 HZ2 LYS 41 1HZ LYS 41 -0.656 -19.432 -6.507 338 HZ3 LYS 41 2HZ LYS 41 0.596 -18.851 -7.484 339 H GLU 42 H GLU 42 -3.703 -14.273 -5.940 340 HA GLU 42 HA GLU 42 -5.274 -16.579 -6.408 341 HB2 GLU 42 2HB GLU 42 -4.047 -15.271 -4.193 342 HB3 GLU 42 1HB GLU 42 -5.698 -15.652 -3.762 343 HG2 GLU 42 2HG GLU 42 -3.572 -17.550 -4.697 344 HG3 GLU 42 1HG GLU 42 -4.312 -17.467 -3.099 345 H LEU 43 H LEU 43 -6.379 -13.644 -4.625 346 HA LEU 43 HA LEU 43 -9.018 -14.132 -5.847 347 HB2 LEU 43 2HB LEU 43 -9.913 -12.960 -3.735 348 HB3 LEU 43 1HB LEU 43 -9.445 -14.644 -3.651 349 HG LEU 43 HG LEU 43 -8.763 -13.224 -1.697 350 HD11 LEU 43 1HD1 LEU 43 -7.216 -14.762 -1.316 351 HD12 LEU 43 2HD1 LEU 43 -6.183 -14.141 -2.603 352 HD13 LEU 43 3HD1 LEU 43 -7.453 -15.304 -2.976 353 HD21 LEU 43 3HD2 LEU 43 -8.051 -11.327 -3.345 354 HD22 LEU 43 1HD2 LEU 43 -6.517 -12.193 -3.365 355 HD23 LEU 43 2HD2 LEU 43 -7.164 -11.582 -1.844 356 H SER 44 H SER 44 -6.510 -11.878 -5.493 357 HA SER 44 HA SER 44 -7.963 -9.468 -5.533 358 HB2 SER 44 2HB SER 44 -5.213 -10.317 -5.881 359 HB3 SER 44 1HB SER 44 -5.611 -8.982 -6.950 360 HG SER 44 HG SER 44 -6.466 -7.932 -5.025 361 H ILE 45 H ILE 45 -8.944 -8.347 -7.104 362 HA ILE 45 HA ILE 45 -9.062 -9.555 -9.776 363 HB ILE 45 HB ILE 45 -10.994 -7.885 -10.065 364 HG12 ILE 45 2HG1 ILE 45 -11.349 -7.974 -7.126 365 HG13 ILE 45 1HG1 ILE 45 -10.133 -6.854 -7.727 366 HG21 ILE 45 1HG2 ILE 45 -11.764 -9.797 -7.956 367 HG22 ILE 45 2HG2 ILE 45 -10.932 -10.469 -9.359 368 HG23 ILE 45 3HG2 ILE 45 -12.427 -9.558 -9.572 369 HD11 ILE 45 3HD1 ILE 45 -12.426 -6.514 -9.323 370 HD12 ILE 45 1HD1 ILE 45 -11.729 -5.396 -8.150 371 HD13 ILE 45 2HD1 ILE 45 -12.954 -6.559 -7.639 372 H ASP 46 H ASP 46 -7.517 -7.075 -8.157 373 HA ASP 46 HA ASP 46 -7.553 -4.859 -9.744 374 HB2 ASP 46 2HB ASP 46 -5.314 -4.367 -8.951 375 HB3 ASP 46 1HB ASP 46 -6.253 -5.086 -7.648 376 H GLY 47 H GLY 47 -6.794 -4.239 -11.686 377 HA2 GLY 47 2HA GLY 47 -6.264 -6.159 -13.661 378 HA3 GLY 47 1HA GLY 47 -6.027 -4.429 -13.837 379 H GLY 48 H GLY 48 -4.310 -5.638 -15.220 380 HA2 GLY 48 2HA GLY 48 -2.155 -6.914 -14.951 381 HA3 GLY 48 1HA GLY 48 -1.948 -5.242 -15.418 382 H SER 49 H SER 49 -2.393 -3.986 -12.927 383 HA SER 49 HA SER 49 0.118 -4.030 -11.790 384 HB2 SER 49 2HB SER 49 -2.083 -2.507 -11.425 385 HB3 SER 49 1HB SER 49 -2.105 -3.434 -9.926 386 HG SER 49 HG SER 49 0.097 -1.940 -10.916 387 H ALA 50 H ALA 50 -2.387 -6.344 -11.389 388 HA ALA 50 HA ALA 50 -1.663 -7.325 -8.819 389 HB1 ALA 50 1HB ALA 50 -3.315 -8.866 -9.096 390 HB2 ALA 50 2HB ALA 50 -2.922 -9.145 -10.793 391 HB3 ALA 50 3HB ALA 50 -3.816 -7.702 -10.320 392 H LYS 51 H LYS 51 -0.332 -7.665 -11.957 393 HA LYS 51 HA LYS 51 0.973 -10.181 -11.520 394 HB2 LYS 51 2HB LYS 51 0.650 -8.286 -13.683 395 HB3 LYS 51 1HB LYS 51 2.320 -8.813 -13.556 396 HG2 LYS 51 2HG LYS 51 1.853 -10.886 -14.275 397 HG3 LYS 51 1HG LYS 51 0.336 -10.963 -13.376 398 HD2 LYS 51 2HD LYS 51 -0.330 -9.137 -15.226 399 HD3 LYS 51 1HD LYS 51 0.865 -10.060 -16.140 400 HE2 LYS 51 2HE LYS 51 -0.429 -12.132 -15.350 401 HE3 LYS 51 1HE LYS 51 -1.715 -11.001 -14.927 402 HZ1 LYS 51 3HZ LYS 51 -2.346 -11.376 -17.035 403 HZ2 LYS 51 1HZ LYS 51 -0.813 -11.887 -17.536 404 HZ3 LYS 51 2HZ LYS 51 -1.158 -10.235 -17.419 405 H ARG 52 H ARG 52 1.415 -7.177 -10.258 406 HA ARG 52 HA ARG 52 4.322 -7.427 -10.032 407 HB2 ARG 52 2HB ARG 52 2.915 -5.037 -8.974 408 HB3 ARG 52 1HB ARG 52 4.446 -5.162 -9.816 409 HG2 ARG 52 2HG ARG 52 2.704 -5.842 -11.786 410 HG3 ARG 52 1HG ARG 52 1.767 -4.667 -10.864 411 HD2 ARG 52 2HD ARG 52 2.858 -3.124 -12.064 412 HD3 ARG 52 1HD ARG 52 4.225 -3.471 -11.007 413 HE ARG 52 HE ARG 52 4.032 -5.175 -13.329 414 HH11 ARG 52 1HH1 ARG 52 5.329 -2.211 -12.018 415 HH12 ARG 52 2HH1 ARG 52 6.612 -2.115 -13.178 416 HH21 ARG 52 1HH2 ARG 52 5.717 -5.050 -14.852 417 HH22 ARG 52 2HH2 ARG 52 6.833 -3.726 -14.787 418 H ASP 53 H ASP 53 2.247 -8.991 -8.568 419 HA ASP 53 HA ASP 53 1.791 -9.779 -6.504 420 HB2 ASP 53 2HB ASP 53 3.597 -10.018 -4.997 421 HB3 ASP 53 1HB ASP 53 4.317 -10.020 -6.600 422 H GLY 54 H GLY 54 0.814 -7.155 -7.165 423 HA2 GLY 54 2HA GLY 54 -0.234 -5.368 -6.182 424 HA3 GLY 54 1HA GLY 54 -0.383 -6.423 -4.786 425 H SER 55 H SER 55 2.678 -5.317 -6.113 426 HA SER 55 HA SER 55 3.362 -4.184 -3.537 427 HB2 SER 55 2HB SER 55 4.837 -4.951 -5.994 428 HB3 SER 55 1HB SER 55 5.520 -3.627 -5.049 429 HG SER 55 HG SER 55 5.942 -4.964 -3.442 430 H LEU 56 H LEU 56 2.037 -2.364 -3.381 431 HA LEU 56 HA LEU 56 1.673 -0.393 -5.312 432 HB2 LEU 56 2HB LEU 56 1.776 -0.025 -2.318 433 HB3 LEU 56 1HB LEU 56 1.066 1.090 -3.454 434 HG LEU 56 HG LEU 56 0.084 -1.686 -2.812 435 HD11 LEU 56 1HD1 LEU 56 -0.885 -0.548 -1.144 436 HD12 LEU 56 2HD1 LEU 56 -1.973 0.040 -2.400 437 HD13 LEU 56 3HD1 LEU 56 -0.592 1.016 -1.902 438 HD21 LEU 56 3HD2 LEU 56 -0.785 -1.705 -4.861 439 HD22 LEU 56 1HD2 LEU 56 -0.321 -0.031 -5.157 440 HD23 LEU 56 2HD2 LEU 56 -1.837 -0.392 -4.331 441 H GLY 57 H GLY 57 4.331 -0.988 -3.140 442 HA2 GLY 57 2HA GLY 57 6.436 -0.075 -3.040 443 HA3 GLY 57 1HA GLY 57 6.119 0.623 -4.620 444 H TYR 58 H TYR 58 7.429 2.420 -3.667 445 HA TYR 58 HA TYR 58 6.355 3.953 -1.532 446 HB2 TYR 58 2HB TYR 58 7.968 5.511 -3.406 447 HB3 TYR 58 1HB TYR 58 8.212 5.216 -1.697 448 HD1 TYR 58 1HD TYR 58 8.978 4.034 -5.087 449 HD2 TYR 58 2HD TYR 58 9.619 3.402 -0.927 450 HE1 TYR 58 1HE TYR 58 10.867 2.547 -5.608 451 HE2 TYR 58 2HE TYR 58 11.507 1.914 -1.437 452 HH TYR 58 HH TYR 58 13.080 1.484 -3.231 453 H PHE 59 H PHE 59 4.479 4.948 -1.604 454 HA PHE 59 HA PHE 59 3.798 6.452 -4.041 455 HB2 PHE 59 2HB PHE 59 2.047 4.899 -2.188 456 HB3 PHE 59 1HB PHE 59 1.396 6.308 -2.995 457 HD1 PHE 59 1HD PHE 59 2.670 6.163 -5.620 458 HD2 PHE 59 2HD PHE 59 1.007 3.077 -3.207 459 HE1 PHE 59 1HE PHE 59 2.218 4.836 -7.640 460 HE2 PHE 59 2HE PHE 59 0.551 1.743 -5.226 461 HZ PHE 59 HZ PHE 59 1.158 2.622 -7.444 462 H GLY 60 H GLY 60 2.762 8.463 -3.692 463 HA2 GLY 60 2HA GLY 60 3.435 9.608 -1.059 464 HA3 GLY 60 1HA GLY 60 3.576 10.496 -2.562 465 H ARG 61 H ARG 61 2.221 11.969 -1.053 466 HA ARG 61 HA ARG 61 -0.551 11.266 -0.792 467 HB2 ARG 61 2HB ARG 61 -0.782 13.640 0.007 468 HB3 ARG 61 1HB ARG 61 0.341 12.654 0.931 469 HG2 ARG 61 2HG ARG 61 1.874 13.869 -1.074 470 HG3 ARG 61 1HG ARG 61 0.797 15.122 -0.457 471 HD2 ARG 61 2HD ARG 61 2.735 15.215 0.887 472 HD3 ARG 61 1HD ARG 61 1.503 14.413 1.860 473 HE ARG 61 HE ARG 61 3.349 12.722 0.364 474 HH11 ARG 61 1HH1 ARG 61 2.422 14.102 3.440 475 HH12 ARG 61 2HH1 ARG 61 3.315 12.944 4.364 476 HH21 ARG 61 1HH2 ARG 61 4.523 11.206 1.583 477 HH22 ARG 61 2HH2 ARG 61 4.509 11.303 3.313 478 H GLY 62 H GLY 62 -0.946 10.824 -3.025 479 HA2 GLY 62 2HA GLY 62 -2.489 12.413 -4.422 480 HA3 GLY 62 1HA GLY 62 -0.939 13.125 -4.822 481 H LYS 63 H LYS 63 -1.590 9.685 -4.351 482 HA LYS 63 HA LYS 63 -1.110 9.268 -7.226 483 HB2 LYS 63 2HB LYS 63 0.018 7.708 -4.900 484 HB3 LYS 63 1HB LYS 63 0.085 7.156 -6.568 485 HG2 LYS 63 2HG LYS 63 1.345 9.661 -5.472 486 HG3 LYS 63 1HG LYS 63 2.181 8.174 -5.924 487 HD2 LYS 63 2HD LYS 63 1.001 8.597 -8.235 488 HD3 LYS 63 1HD LYS 63 0.939 10.262 -7.654 489 HE2 LYS 63 2HE LYS 63 3.532 8.907 -7.334 490 HE3 LYS 63 1HE LYS 63 3.030 9.189 -9.000 491 HZ1 LYS 63 3HZ LYS 63 3.799 11.094 -6.947 492 HZ2 LYS 63 1HZ LYS 63 2.504 11.559 -7.934 493 HZ3 LYS 63 2HZ LYS 63 3.998 11.170 -8.626 494 H MET 64 H MET 64 -2.533 7.955 -4.258 495 HA MET 64 HA MET 64 -4.333 6.343 -5.939 496 HB2 MET 64 2HB MET 64 -4.666 4.931 -3.887 497 HB3 MET 64 1HB MET 64 -3.057 4.860 -4.589 498 HG2 MET 64 2HG MET 64 -2.694 6.825 -2.790 499 HG3 MET 64 1HG MET 64 -3.949 5.889 -1.982 500 HE1 MET 64 3HE MET 64 -0.714 6.662 -1.705 501 HE2 MET 64 1HE MET 64 0.130 5.235 -1.100 502 HE3 MET 64 2HE MET 64 -1.266 5.872 -0.226 503 H VAL 65 H VAL 65 -6.471 5.857 -4.774 504 HA VAL 65 HA VAL 65 -7.965 8.169 -4.582 505 HB VAL 65 HB VAL 65 -9.752 6.816 -3.606 506 HG11 VAL 65 1HG1 VAL 65 -9.697 6.532 -5.897 507 HG12 VAL 65 2HG1 VAL 65 -9.597 4.868 -5.319 508 HG13 VAL 65 3HG1 VAL 65 -8.141 5.702 -5.861 509 HG21 VAL 65 3HG2 VAL 65 -8.173 4.332 -3.570 510 HG22 VAL 65 1HG2 VAL 65 -9.457 4.878 -2.489 511 HG23 VAL 65 2HG2 VAL 65 -7.815 5.480 -2.282 512 H LYS 66 H LYS 66 -9.181 9.016 -2.714 513 HA LYS 66 HA LYS 66 -7.436 9.841 -0.662 514 HB2 LYS 66 2HB LYS 66 -10.193 10.356 -1.466 515 HB3 LYS 66 1HB LYS 66 -9.969 10.414 0.277 516 HG2 LYS 66 2HG LYS 66 -7.865 11.882 -0.476 517 HG3 LYS 66 1HG LYS 66 -8.950 12.210 -1.828 518 HD2 LYS 66 2HD LYS 66 -9.793 13.806 -0.492 519 HD3 LYS 66 1HD LYS 66 -10.633 12.471 0.299 520 HE2 LYS 66 2HE LYS 66 -7.867 13.100 1.182 521 HE3 LYS 66 1HE LYS 66 -9.156 14.206 1.656 522 HZ1 LYS 66 3HZ LYS 66 -9.348 12.772 3.358 523 HZ2 LYS 66 1HZ LYS 66 -8.638 11.484 2.522 524 HZ3 LYS 66 2HZ LYS 66 -10.266 11.867 2.262 525 HA PRO 67 HA PRO 67 -10.096 6.963 2.241 526 HB2 PRO 67 2HB PRO 67 -11.012 4.705 0.942 527 HB3 PRO 67 1HB PRO 67 -12.003 6.089 1.356 528 HG2 PRO 67 2HG PRO 67 -10.799 5.318 -1.238 529 HG3 PRO 67 1HG PRO 67 -12.315 6.167 -0.915 530 HD2 PRO 67 2HD PRO 67 -10.062 7.398 -1.812 531 HD3 PRO 67 1HD PRO 67 -11.285 8.208 -0.830 532 H PHE 68 H PHE 68 -8.519 5.474 -0.532 533 HA PHE 68 HA PHE 68 -7.296 3.385 1.004 534 HB2 PHE 68 2HB PHE 68 -7.848 3.275 -1.466 535 HB3 PHE 68 1HB PHE 68 -6.466 4.329 -1.739 536 HD1 PHE 68 1HD PHE 68 -4.199 3.538 -1.342 537 HD2 PHE 68 2HD PHE 68 -7.559 0.964 -0.910 538 HE1 PHE 68 1HE PHE 68 -2.707 1.589 -1.408 539 HE2 PHE 68 2HE PHE 68 -6.071 -0.995 -0.975 540 HZ PHE 68 HZ PHE 68 -3.641 -0.684 -1.225 541 H GLU 69 H GLU 69 -6.021 6.304 -0.603 542 HA GLU 69 HA GLU 69 -3.378 6.063 0.255 543 HB2 GLU 69 2HB GLU 69 -4.451 7.704 -1.438 544 HB3 GLU 69 1HB GLU 69 -4.727 8.730 -0.036 545 HG2 GLU 69 2HG GLU 69 -2.021 7.821 -0.021 546 HG3 GLU 69 1HG GLU 69 -2.402 8.498 -1.603 547 H ASP 70 H ASP 70 -6.208 7.303 1.887 548 HA ASP 70 HA ASP 70 -4.924 8.653 3.993 549 HB2 ASP 70 2HB ASP 70 -7.641 7.662 3.429 550 HB3 ASP 70 1HB ASP 70 -7.245 7.794 5.139 551 H ALA 71 H ALA 71 -6.214 5.337 3.823 552 HA ALA 71 HA ALA 71 -5.231 4.637 6.418 553 HB1 ALA 71 1HB ALA 71 -6.999 3.304 5.974 554 HB2 ALA 71 2HB ALA 71 -5.744 2.248 5.327 555 HB3 ALA 71 3HB ALA 71 -6.683 3.272 4.240 556 H ALA 72 H ALA 72 -3.712 4.981 3.437 557 HA ALA 72 HA ALA 72 -1.907 2.828 3.421 558 HB1 ALA 72 1HB ALA 72 -0.795 3.936 1.721 559 HB2 ALA 72 2HB ALA 72 -1.147 5.530 2.390 560 HB3 ALA 72 3HB ALA 72 -2.424 4.602 1.604 561 H PHE 73 H PHE 73 -1.687 6.050 4.869 562 HA PHE 73 HA PHE 73 0.890 5.364 6.065 563 HB2 PHE 73 2HB PHE 73 0.800 7.791 6.830 564 HB3 PHE 73 1HB PHE 73 0.917 7.522 5.096 565 HD1 PHE 73 1HD PHE 73 -1.373 8.447 7.834 566 HD2 PHE 73 2HD PHE 73 -0.785 8.243 3.624 567 HE1 PHE 73 1HE PHE 73 -3.387 9.817 7.491 568 HE2 PHE 73 2HE PHE 73 -2.797 9.614 3.273 569 HZ PHE 73 HZ PHE 73 -4.102 10.401 5.207 570 H ARG 74 H ARG 74 -1.940 4.405 6.901 571 HA ARG 74 HA ARG 74 -1.955 5.393 9.656 572 HB2 ARG 74 2HB ARG 74 -3.951 3.951 7.942 573 HB3 ARG 74 1HB ARG 74 -4.100 3.901 9.695 574 HG2 ARG 74 2HG ARG 74 -3.812 6.538 9.370 575 HG3 ARG 74 1HG ARG 74 -4.538 6.135 7.812 576 HD2 ARG 74 2HD ARG 74 -6.541 5.713 8.726 577 HD3 ARG 74 1HD ARG 74 -5.839 4.844 10.089 578 HE ARG 74 HE ARG 74 -6.635 7.597 10.018 579 HH11 ARG 74 1HH1 ARG 74 -4.487 5.301 11.534 580 HH12 ARG 74 2HH1 ARG 74 -4.309 6.234 12.982 581 HH21 ARG 74 1HH2 ARG 74 -6.401 8.825 11.922 582 HH22 ARG 74 2HH2 ARG 74 -5.396 8.235 13.202 583 H LEU 75 H LEU 75 -1.358 2.534 7.751 584 HA LEU 75 HA LEU 75 -0.929 0.970 10.195 585 HB2 LEU 75 2HB LEU 75 -1.318 0.165 7.326 586 HB3 LEU 75 1HB LEU 75 -0.773 -0.962 8.544 587 HG LEU 75 HG LEU 75 -3.468 0.201 8.117 588 HD11 LEU 75 1HD1 LEU 75 -3.190 -2.011 7.424 589 HD12 LEU 75 2HD1 LEU 75 -4.008 -2.126 8.984 590 HD13 LEU 75 3HD1 LEU 75 -2.274 -2.440 8.870 591 HD21 LEU 75 3HD2 LEU 75 -2.474 -0.633 10.843 592 HD22 LEU 75 1HD2 LEU 75 -4.141 -0.252 10.415 593 HD23 LEU 75 2HD2 LEU 75 -2.909 1.009 10.370 594 H GLN 76 H GLN 76 1.031 2.410 10.395 595 HA GLN 76 HA GLN 76 3.249 1.929 8.657 596 HB2 GLN 76 2HB GLN 76 2.854 3.326 11.274 597 HB3 GLN 76 1HB GLN 76 4.486 2.946 10.747 598 HG2 GLN 76 2HG GLN 76 3.531 4.076 8.505 599 HG3 GLN 76 1HG GLN 76 2.571 4.928 9.713 600 HE21 GLN 76 1HE2 GLN 76 3.803 5.900 11.517 601 HE22 GLN 76 2HE2 GLN 76 5.343 6.598 11.164 602 H VAL 77 H VAL 77 1.812 0.269 11.252 603 HA VAL 77 HA VAL 77 4.051 -1.089 12.322 604 HB VAL 77 HB VAL 77 2.068 -1.087 13.629 605 HG11 VAL 77 1HG1 VAL 77 0.017 -2.378 12.694 606 HG12 VAL 77 2HG1 VAL 77 0.746 -2.040 11.125 607 HG13 VAL 77 3HG1 VAL 77 0.299 -0.711 12.195 608 HG21 VAL 77 3HG2 VAL 77 3.408 -3.402 13.112 609 HG22 VAL 77 1HG2 VAL 77 1.741 -3.883 12.792 610 HG23 VAL 77 2HG2 VAL 77 2.179 -3.210 14.364 611 H GLY 78 H GLY 78 2.105 -1.551 9.479 612 HA2 GLY 78 2HA GLY 78 2.832 -2.839 7.622 613 HA3 GLY 78 1HA GLY 78 3.831 -3.776 8.710 614 H GLU 79 H GLU 79 0.407 -2.967 8.507 615 HA GLU 79 HA GLU 79 -0.202 -5.836 8.522 616 HB2 GLU 79 2HB GLU 79 -0.294 -4.574 10.800 617 HB3 GLU 79 1HB GLU 79 -1.796 -3.937 10.179 618 HG2 GLU 79 2HG GLU 79 -1.655 -6.792 9.845 619 HG3 GLU 79 1HG GLU 79 -1.397 -6.331 11.527 620 H VAL 80 H VAL 80 -2.720 -6.055 8.263 621 HA VAL 80 HA VAL 80 -3.345 -4.585 5.865 622 HB VAL 80 HB VAL 80 -4.999 -6.706 7.237 623 HG11 VAL 80 1HG1 VAL 80 -6.503 -5.730 5.815 624 HG12 VAL 80 2HG1 VAL 80 -5.755 -6.887 4.713 625 HG13 VAL 80 3HG1 VAL 80 -5.255 -5.197 4.688 626 HG21 VAL 80 3HG2 VAL 80 -2.936 -7.722 6.653 627 HG22 VAL 80 1HG2 VAL 80 -2.891 -6.901 5.094 628 HG23 VAL 80 2HG2 VAL 80 -4.082 -8.169 5.391 629 H SER 81 H SER 81 -5.132 -3.240 5.566 630 HA SER 81 HA SER 81 -6.188 -2.103 8.055 631 HB2 SER 81 2HB SER 81 -4.890 -0.729 6.250 632 HB3 SER 81 1HB SER 81 -6.426 -0.757 5.385 633 HG SER 81 HG SER 81 -6.116 0.125 8.063 634 H GLU 82 H GLU 82 -8.388 -1.202 7.957 635 HA GLU 82 HA GLU 82 -10.302 -3.119 7.543 636 HB2 GLU 82 2HB GLU 82 -10.679 -0.123 7.505 637 HB3 GLU 82 1HB GLU 82 -11.960 -1.304 7.740 638 HG2 GLU 82 2HG GLU 82 -11.586 -1.052 9.913 639 HG3 GLU 82 1HG GLU 82 -10.127 -2.007 9.657 640 HA PRO 83 HA PRO 83 -11.364 -3.386 3.298 641 HB2 PRO 83 2HB PRO 83 -14.123 -3.370 3.449 642 HB3 PRO 83 1HB PRO 83 -13.111 -4.791 3.724 643 HG2 PRO 83 2HG PRO 83 -14.358 -2.937 5.708 644 HG3 PRO 83 1HG PRO 83 -14.190 -4.701 5.771 645 HD2 PRO 83 2HD PRO 83 -12.577 -3.085 7.178 646 HD3 PRO 83 1HD PRO 83 -11.978 -4.591 6.453 647 H VAL 84 H VAL 84 -10.781 -1.531 2.292 648 HA VAL 84 HA VAL 84 -12.512 0.830 2.553 649 HB VAL 84 HB VAL 84 -9.802 0.580 1.231 650 HG11 VAL 84 1HG1 VAL 84 -11.427 3.041 1.880 651 HG12 VAL 84 2HG1 VAL 84 -11.199 2.349 0.271 652 HG13 VAL 84 3HG1 VAL 84 -9.818 3.007 1.151 653 HG21 VAL 84 3HG2 VAL 84 -9.182 2.093 3.233 654 HG22 VAL 84 1HG2 VAL 84 -9.330 0.354 3.488 655 HG23 VAL 84 2HG2 VAL 84 -10.640 1.431 3.974 656 H LYS 85 H LYS 85 -14.198 0.590 1.191 657 HA LYS 85 HA LYS 85 -13.762 -0.437 -1.496 658 HB2 LYS 85 2HB LYS 85 -15.749 -0.996 0.107 659 HB3 LYS 85 1HB LYS 85 -16.412 0.520 -0.489 660 HG2 LYS 85 2HG LYS 85 -15.623 -1.842 -2.180 661 HG3 LYS 85 1HG LYS 85 -17.269 -1.378 -1.743 662 HD2 LYS 85 2HD LYS 85 -16.572 0.912 -2.814 663 HD3 LYS 85 1HD LYS 85 -15.362 -0.076 -3.632 664 HE2 LYS 85 2HE LYS 85 -16.941 -1.281 -4.802 665 HE3 LYS 85 1HE LYS 85 -18.208 -0.964 -3.617 666 HZ1 LYS 85 3HZ LYS 85 -17.774 1.493 -4.467 667 HZ2 LYS 85 1HZ LYS 85 -18.872 0.454 -5.228 668 HZ3 LYS 85 2HZ LYS 85 -17.321 0.662 -5.868 669 H SER 86 H SER 86 -13.138 0.915 -3.013 670 HA SER 86 HA SER 86 -14.095 3.695 -2.921 671 HB2 SER 86 2HB SER 86 -11.971 3.083 -4.853 672 HB3 SER 86 1HB SER 86 -12.067 4.372 -3.658 673 HG SER 86 HG SER 86 -11.187 3.070 -2.156 674 H GLU 87 H GLU 87 -13.780 4.481 -5.493 675 HA GLU 87 HA GLU 87 -16.109 3.611 -6.743 676 HB2 GLU 87 2HB GLU 87 -15.244 4.783 -8.754 677 HB3 GLU 87 1HB GLU 87 -15.129 5.747 -7.286 678 HG2 GLU 87 2HG GLU 87 -12.757 4.138 -7.968 679 HG3 GLU 87 1HG GLU 87 -13.135 5.474 -9.055 680 H PHE 88 H PHE 88 -13.006 2.137 -6.678 681 HA PHE 88 HA PHE 88 -13.488 0.587 -9.094 682 HB2 PHE 88 2HB PHE 88 -11.164 1.039 -7.287 683 HB3 PHE 88 1HB PHE 88 -11.215 -0.464 -8.200 684 HD1 PHE 88 1HD PHE 88 -11.047 3.195 -8.448 685 HD2 PHE 88 2HD PHE 88 -10.865 -0.496 -10.556 686 HE1 PHE 88 1HE PHE 88 -10.150 4.369 -10.415 687 HE2 PHE 88 2HE PHE 88 -9.964 0.670 -12.528 688 HZ PHE 88 HZ PHE 88 -9.605 3.105 -12.458 689 H GLY 89 H GLY 89 -13.226 0.076 -5.591 690 HA2 GLY 89 2HA GLY 89 -15.062 -1.902 -5.276 691 HA3 GLY 89 1HA GLY 89 -13.646 -2.772 -5.840 692 H TYR 90 H TYR 90 -14.157 -3.762 -3.655 693 HA TYR 90 HA TYR 90 -13.438 -2.267 -1.338 694 HB2 TYR 90 2HB TYR 90 -14.302 -5.012 -1.989 695 HB3 TYR 90 1HB TYR 90 -13.333 -4.838 -0.541 696 HD1 TYR 90 1HD TYR 90 -14.141 -3.378 1.319 697 HD2 TYR 90 2HD TYR 90 -16.546 -4.248 -2.079 698 HE1 TYR 90 1HE TYR 90 -16.135 -2.608 2.539 699 HE2 TYR 90 2HE TYR 90 -18.544 -3.477 -0.873 700 HH TYR 90 HH TYR 90 -19.319 -3.135 1.375 701 H HIS 91 H HIS 91 -11.432 -1.478 -1.440 702 HA HIS 91 HA HIS 91 -9.202 -3.046 -2.347 703 HB2 HIS 91 2HB HIS 91 -9.376 -0.282 -1.147 704 HB3 HIS 91 1HB HIS 91 -7.895 -1.002 -1.763 705 HD1 HIS 91 1HD HIS 91 -11.200 0.366 -2.897 706 HD2 HIS 91 2HD HIS 91 -7.625 -0.987 -4.530 707 HE1 HIS 91 1HE HIS 91 -11.286 1.005 -5.327 708 HE2 HIS 91 2HE HIS 91 -9.081 0.244 -6.278 709 H VAL 92 H VAL 92 -7.168 -3.010 -1.060 710 HA VAL 92 HA VAL 92 -7.492 -3.259 1.825 711 HB VAL 92 HB VAL 92 -6.220 -5.490 0.231 712 HG11 VAL 92 1HG1 VAL 92 -6.739 -6.616 2.552 713 HG12 VAL 92 2HG1 VAL 92 -6.696 -4.946 3.118 714 HG13 VAL 92 3HG1 VAL 92 -5.288 -5.641 2.316 715 HG21 VAL 92 3HG2 VAL 92 -8.186 -6.830 0.659 716 HG22 VAL 92 1HG2 VAL 92 -8.649 -5.369 -0.213 717 HG23 VAL 92 2HG2 VAL 92 -8.948 -5.492 1.520 718 H ILE 93 H ILE 93 -5.517 -2.925 2.949 719 HA ILE 93 HA ILE 93 -3.215 -2.270 1.236 720 HB ILE 93 HB ILE 93 -3.359 -0.590 3.610 721 HG12 ILE 93 2HG1 ILE 93 -5.531 -0.325 1.517 722 HG13 ILE 93 1HG1 ILE 93 -5.762 -0.675 3.226 723 HG21 ILE 93 1HG2 ILE 93 -2.170 -0.555 1.114 724 HG22 ILE 93 2HG2 ILE 93 -2.154 0.749 2.302 725 HG23 ILE 93 3HG2 ILE 93 -3.373 0.732 1.030 726 HD11 ILE 93 3HD1 ILE 93 -4.986 1.888 1.911 727 HD12 ILE 93 1HD1 ILE 93 -4.585 1.592 3.602 728 HD13 ILE 93 2HD1 ILE 93 -6.269 1.569 3.079 729 H LYS 94 H LYS 94 -1.440 -3.294 1.778 730 HA LYS 94 HA LYS 94 -0.967 -3.999 4.597 731 HB2 LYS 94 2HB LYS 94 -1.615 -6.041 3.453 732 HB3 LYS 94 1HB LYS 94 -0.455 -5.732 2.170 733 HG2 LYS 94 2HG LYS 94 0.304 -7.451 3.752 734 HG3 LYS 94 1HG LYS 94 1.386 -6.057 3.691 735 HD2 LYS 94 2HD LYS 94 0.726 -5.294 5.782 736 HD3 LYS 94 1HD LYS 94 -0.796 -6.188 5.737 737 HE2 LYS 94 2HE LYS 94 1.659 -7.817 5.634 738 HE3 LYS 94 1HE LYS 94 1.370 -6.962 7.149 739 HZ1 LYS 94 3HZ LYS 94 -0.514 -8.157 7.571 740 HZ2 LYS 94 1HZ LYS 94 0.380 -9.327 6.736 741 HZ3 LYS 94 2HZ LYS 94 -0.839 -8.466 5.940 742 H ARG 95 H ARG 95 0.674 -2.727 5.203 743 HA ARG 95 HA ARG 95 2.426 -1.402 3.528 744 HB2 ARG 95 2HB ARG 95 1.947 -1.517 6.278 745 HB3 ARG 95 1HB ARG 95 3.651 -1.908 6.093 746 HG2 ARG 95 2HG ARG 95 3.211 0.267 4.402 747 HG3 ARG 95 1HG ARG 95 2.320 0.632 5.881 748 HD2 ARG 95 2HD ARG 95 4.196 0.911 7.079 749 HD3 ARG 95 1HD ARG 95 4.991 -0.477 6.336 750 HE ARG 95 HE ARG 95 4.801 1.762 4.566 751 HH11 ARG 95 1HH1 ARG 95 6.653 0.385 7.186 752 HH12 ARG 95 2HH1 ARG 95 8.112 1.211 6.754 753 HH21 ARG 95 1HH2 ARG 95 6.720 2.849 3.997 754 HH22 ARG 95 2HH2 ARG 95 8.151 2.611 4.944 755 H LEU 96 H LEU 96 4.301 -1.777 2.632 756 HA LEU 96 HA LEU 96 6.035 -3.903 3.405 757 HB2 LEU 96 2HB LEU 96 5.654 -5.359 1.745 758 HB3 LEU 96 1HB LEU 96 4.076 -4.618 1.682 759 HG LEU 96 HG LEU 96 5.127 -3.048 -0.091 760 HD11 LEU 96 1HD1 LEU 96 7.370 -3.399 -0.178 761 HD12 LEU 96 2HD1 LEU 96 6.867 -4.600 -1.370 762 HD13 LEU 96 3HD1 LEU 96 7.232 -5.097 0.282 763 HD21 LEU 96 3HD2 LEU 96 4.962 -5.213 -1.719 764 HD22 LEU 96 1HD2 LEU 96 3.582 -4.298 -1.112 765 HD23 LEU 96 2HD2 LEU 96 4.086 -5.776 -0.294 766 H GLY 97 H GLY 97 7.933 -2.942 3.342 767 HA2 GLY 97 2HA GLY 97 8.818 -1.549 0.970 768 HA3 GLY 97 1HA GLY 97 8.662 -0.537 2.393 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 26.665 5.664 -3.958 2 H2 GLY 1 2HT GLY 1 26.043 4.101 -4.133 3 H3 GLY 1 3HT GLY 1 26.573 4.635 -2.618 4 HA2 GLY 1 1HA GLY 1 24.690 5.736 -2.164 5 HA3 GLY 1 2HA GLY 1 24.537 6.294 -3.823 6 HA PRO 2 HA PRO 2 22.508 1.885 -3.462 7 HB2 PRO 2 2HB PRO 2 21.563 1.285 -0.991 8 HB3 PRO 2 1HB PRO 2 23.179 0.823 -1.536 9 HG2 PRO 2 2HG PRO 2 22.346 3.134 0.176 10 HG3 PRO 2 1HG PRO 2 23.721 2.031 0.376 11 HD2 PRO 2 2HD PRO 2 23.982 4.511 -0.680 12 HD3 PRO 2 1HD PRO 2 25.002 3.147 -1.184 13 H MET 3 H MET 3 20.219 1.352 -3.382 14 HA MET 3 HA MET 3 18.573 3.648 -3.707 15 HB2 MET 3 2HB MET 3 16.732 1.941 -3.958 16 HB3 MET 3 1HB MET 3 18.087 1.756 -5.063 17 HG2 MET 3 2HG MET 3 18.471 0.243 -2.627 18 HG3 MET 3 1HG MET 3 16.977 -0.197 -3.452 19 HE1 MET 3 3HE MET 3 20.660 -2.031 -3.799 20 HE2 MET 3 1HE MET 3 19.158 -2.951 -3.888 21 HE3 MET 3 2HE MET 3 19.370 -1.731 -2.634 22 H GLY 4 H GLY 4 16.761 4.298 -2.495 23 HA2 GLY 4 2HA GLY 4 15.297 3.825 -0.558 24 HA3 GLY 4 1HA GLY 4 16.744 3.304 0.290 25 H SER 5 H SER 5 16.644 6.126 -1.788 26 HA SER 5 HA SER 5 17.444 7.782 0.457 27 HB2 SER 5 2HB SER 5 18.241 7.771 -2.131 28 HB3 SER 5 1HB SER 5 17.007 9.030 -2.193 29 HG SER 5 HG SER 5 19.008 9.933 -1.669 30 H MET 6 H MET 6 16.088 8.986 1.603 31 HA MET 6 HA MET 6 14.228 10.110 2.275 32 HB2 MET 6 2HB MET 6 14.849 11.166 -0.145 33 HB3 MET 6 1HB MET 6 13.216 10.595 -0.458 34 HG2 MET 6 2HG MET 6 13.030 12.840 0.233 35 HG3 MET 6 1HG MET 6 12.493 11.850 1.589 36 HE1 MET 6 3HE MET 6 16.681 13.141 1.022 37 HE2 MET 6 1HE MET 6 15.778 14.653 0.939 38 HE3 MET 6 2HE MET 6 15.368 13.322 -0.142 39 H ALA 7 H ALA 7 12.901 8.667 3.208 40 HA ALA 7 HA ALA 7 11.284 6.897 1.532 41 HB1 ALA 7 1HB ALA 7 10.792 5.681 3.560 42 HB2 ALA 7 2HB ALA 7 11.575 6.926 4.532 43 HB3 ALA 7 3HB ALA 7 12.531 5.936 3.430 44 H ASP 8 H ASP 8 10.666 9.708 1.560 45 HA ASP 8 HA ASP 8 8.611 10.425 3.294 46 HB2 ASP 8 2HB ASP 8 9.733 11.430 0.839 47 HB3 ASP 8 1HB ASP 8 7.978 11.567 0.791 48 H LYS 9 H LYS 9 8.599 8.247 0.590 49 HA LYS 9 HA LYS 9 5.747 8.189 0.316 50 HB2 LYS 9 2HB LYS 9 7.980 6.552 -0.852 51 HB3 LYS 9 1HB LYS 9 6.289 6.275 -1.212 52 HG2 LYS 9 2HG LYS 9 7.010 7.544 -2.976 53 HG3 LYS 9 1HG LYS 9 6.248 8.737 -1.933 54 HD2 LYS 9 2HD LYS 9 9.138 8.220 -1.531 55 HD3 LYS 9 1HD LYS 9 8.681 9.050 -3.019 56 HE2 LYS 9 2HE LYS 9 7.355 10.078 -0.628 57 HE3 LYS 9 1HE LYS 9 9.109 10.239 -0.601 58 HZ1 LYS 9 3HZ LYS 9 7.785 11.015 -3.071 59 HZ2 LYS 9 1HZ LYS 9 9.090 11.734 -2.268 60 HZ3 LYS 9 2HZ LYS 9 7.511 12.017 -1.736 61 H ILE 10 H ILE 10 4.645 6.066 0.330 62 HA ILE 10 HA ILE 10 5.448 4.532 2.706 63 HB ILE 10 HB ILE 10 2.700 4.078 1.858 64 HG12 ILE 10 2HG1 ILE 10 3.359 6.853 2.858 65 HG13 ILE 10 1HG1 ILE 10 2.941 6.472 1.192 66 HG21 ILE 10 1HG2 ILE 10 2.257 4.408 4.225 67 HG22 ILE 10 2HG2 ILE 10 3.884 5.051 4.456 68 HG23 ILE 10 3HG2 ILE 10 3.659 3.364 3.993 69 HD11 ILE 10 3HD1 ILE 10 1.058 7.367 2.517 70 HD12 ILE 10 1HD1 ILE 10 1.161 5.943 3.554 71 HD13 ILE 10 2HD1 ILE 10 0.750 5.764 1.848 72 H LYS 11 H LYS 11 5.582 2.377 2.545 73 HA LYS 11 HA LYS 11 5.331 1.281 -0.166 74 HB2 LYS 11 2HB LYS 11 7.030 0.148 2.050 75 HB3 LYS 11 1HB LYS 11 7.121 -0.195 0.326 76 HG2 LYS 11 2HG LYS 11 8.398 1.591 -0.099 77 HG3 LYS 11 1HG LYS 11 7.499 2.649 1.001 78 HD2 LYS 11 2HD LYS 11 9.359 2.528 2.262 79 HD3 LYS 11 1HD LYS 11 8.736 0.949 2.742 80 HE2 LYS 11 2HE LYS 11 10.494 -0.055 1.828 81 HE3 LYS 11 1HE LYS 11 10.137 0.685 0.268 82 HZ1 LYS 11 3HZ LYS 11 12.336 1.290 0.961 83 HZ2 LYS 11 1HZ LYS 11 11.771 1.865 2.449 84 HZ3 LYS 11 2HZ LYS 11 11.358 2.667 1.018 85 H CYS 12 H CYS 12 3.299 0.540 -0.199 86 HA CYS 12 HA CYS 12 2.645 -1.628 1.673 87 HB2 CYS 12 2HB CYS 12 1.484 0.712 1.980 88 HB3 CYS 12 1HB CYS 12 0.509 0.194 0.613 89 HG CYS 12 HG CYS 12 -0.011 -0.548 3.404 90 H SER 13 H SER 13 0.502 -2.721 0.721 91 HA SER 13 HA SER 13 0.858 -3.110 -2.168 92 HB2 SER 13 2HB SER 13 1.821 -5.074 -1.294 93 HB3 SER 13 1HB SER 13 0.642 -5.178 0.012 94 HG SER 13 HG SER 13 0.499 -6.551 -2.084 95 H HIS 14 H HIS 14 -1.131 -4.065 -3.210 96 HA HIS 14 HA HIS 14 -3.558 -3.431 -1.686 97 HB2 HIS 14 2HB HIS 14 -4.531 -2.236 -3.549 98 HB3 HIS 14 1HB HIS 14 -2.997 -1.500 -3.109 99 HD1 HIS 14 1HD HIS 14 -2.037 -4.365 -4.935 100 HD2 HIS 14 2HD HIS 14 -3.647 -0.680 -5.981 101 HE1 HIS 14 1HE HIS 14 -1.512 -4.068 -7.376 102 HE2 HIS 14 2HE HIS 14 -2.380 -1.774 -7.948 103 H ILE 15 H ILE 15 -5.433 -4.478 -2.251 104 HA ILE 15 HA ILE 15 -5.364 -6.539 -4.311 105 HB ILE 15 HB ILE 15 -5.766 -7.106 -1.372 106 HG12 ILE 15 2HG1 ILE 15 -4.212 -9.078 -2.188 107 HG13 ILE 15 1HG1 ILE 15 -3.840 -7.959 -3.494 108 HG21 ILE 15 1HG2 ILE 15 -6.539 -9.334 -1.943 109 HG22 ILE 15 2HG2 ILE 15 -6.466 -8.944 -3.659 110 HG23 ILE 15 3HG2 ILE 15 -7.626 -8.122 -2.617 111 HD11 ILE 15 3HD1 ILE 15 -2.993 -7.940 -0.711 112 HD12 ILE 15 1HD1 ILE 15 -3.580 -6.378 -1.279 113 HD13 ILE 15 2HD1 ILE 15 -2.262 -7.188 -2.130 114 H LEU 16 H LEU 16 -7.308 -6.680 -5.321 115 HA LEU 16 HA LEU 16 -9.621 -5.429 -3.992 116 HB2 LEU 16 2HB LEU 16 -8.376 -4.867 -6.547 117 HB3 LEU 16 1HB LEU 16 -10.073 -5.259 -6.734 118 HG LEU 16 HG LEU 16 -9.079 -3.159 -4.823 119 HD11 LEU 16 1HD1 LEU 16 -8.755 -2.952 -7.485 120 HD12 LEU 16 2HD1 LEU 16 -9.097 -1.581 -6.431 121 HD13 LEU 16 3HD1 LEU 16 -10.406 -2.354 -7.324 122 HD21 LEU 16 3HD2 LEU 16 -11.449 -4.377 -4.796 123 HD22 LEU 16 1HD2 LEU 16 -11.785 -3.151 -6.018 124 HD23 LEU 16 2HD2 LEU 16 -11.255 -2.668 -4.408 125 H VAL 17 H VAL 17 -11.479 -6.528 -3.928 126 HA VAL 17 HA VAL 17 -12.021 -8.654 -5.832 127 HB VAL 17 HB VAL 17 -12.599 -10.282 -4.057 128 HG11 VAL 17 1HG1 VAL 17 -10.239 -9.940 -5.259 129 HG12 VAL 17 2HG1 VAL 17 -10.559 -11.240 -4.111 130 HG13 VAL 17 3HG1 VAL 17 -9.733 -9.777 -3.577 131 HG21 VAL 17 3HG2 VAL 17 -12.836 -9.415 -2.015 132 HG22 VAL 17 1HG2 VAL 17 -11.777 -8.048 -2.364 133 HG23 VAL 17 2HG2 VAL 17 -11.087 -9.600 -1.895 134 H LYS 18 H LYS 18 -14.173 -8.847 -6.233 135 HA LYS 18 HA LYS 18 -15.951 -6.910 -5.182 136 HB2 LYS 18 2HB LYS 18 -16.811 -9.467 -6.534 137 HB3 LYS 18 1HB LYS 18 -17.627 -7.909 -6.539 138 HG2 LYS 18 2HG LYS 18 -16.717 -7.704 -8.573 139 HG3 LYS 18 1HG LYS 18 -15.265 -7.244 -7.681 140 HD2 LYS 18 2HD LYS 18 -14.289 -8.898 -8.849 141 HD3 LYS 18 1HD LYS 18 -15.066 -9.958 -7.671 142 HE2 LYS 18 2HE LYS 18 -16.640 -9.134 -10.052 143 HE3 LYS 18 1HE LYS 18 -15.345 -10.308 -10.287 144 HZ1 LYS 18 3HZ LYS 18 -16.459 -11.472 -8.275 145 HZ2 LYS 18 1HZ LYS 18 -17.130 -11.648 -9.817 146 HZ3 LYS 18 2HZ LYS 18 -17.816 -10.565 -8.715 147 H LYS 19 H LYS 19 -14.882 -9.934 -4.049 148 HA LYS 19 HA LYS 19 -17.130 -10.700 -2.503 149 HB2 LYS 19 2HB LYS 19 -14.734 -11.799 -3.315 150 HB3 LYS 19 1HB LYS 19 -14.486 -11.543 -1.608 151 HG2 LYS 19 2HG LYS 19 -16.401 -13.317 -2.999 152 HG3 LYS 19 1HG LYS 19 -15.306 -13.690 -1.672 153 HD2 LYS 19 2HD LYS 19 -16.850 -11.938 -0.407 154 HD3 LYS 19 1HD LYS 19 -18.018 -12.471 -1.618 155 HE2 LYS 19 2HE LYS 19 -16.452 -14.421 0.043 156 HE3 LYS 19 1HE LYS 19 -17.966 -13.718 0.614 157 HZ1 LYS 19 3HZ LYS 19 -17.507 -15.581 -1.613 158 HZ2 LYS 19 1HZ LYS 19 -18.837 -14.536 -1.672 159 HZ3 LYS 19 2HZ LYS 19 -18.681 -15.633 -0.395 160 H GLN 20 H GLN 20 -17.564 -8.576 -1.555 161 HA GLN 20 HA GLN 20 -15.930 -7.027 -0.043 162 HB2 GLN 20 2HB GLN 20 -18.772 -7.652 0.746 163 HB3 GLN 20 1HB GLN 20 -17.878 -6.172 1.066 164 HG2 GLN 20 2HG GLN 20 -18.845 -5.350 -0.753 165 HG3 GLN 20 1HG GLN 20 -17.772 -6.400 -1.678 166 HE21 GLN 20 1HE2 GLN 20 -20.988 -5.932 -0.467 167 HE22 GLN 20 2HE2 GLN 20 -21.746 -7.164 -1.412 168 H GLY 21 H GLY 21 -17.582 -9.962 1.097 169 HA2 GLY 21 2HA GLY 21 -16.784 -9.623 3.796 170 HA3 GLY 21 1HA GLY 21 -17.352 -11.122 3.079 171 H GLU 22 H GLU 22 -15.239 -11.098 1.043 172 HA GLU 22 HA GLU 22 -13.287 -12.556 2.472 173 HB2 GLU 22 2HB GLU 22 -12.487 -13.110 0.425 174 HB3 GLU 22 1HB GLU 22 -14.036 -12.481 -0.094 175 HG2 GLU 22 2HG GLU 22 -12.592 -11.494 -1.561 176 HG3 GLU 22 1HG GLU 22 -12.742 -10.260 -0.315 177 H ALA 23 H ALA 23 -13.319 -9.325 1.080 178 HA ALA 23 HA ALA 23 -10.733 -8.497 1.443 179 HB1 ALA 23 1HB ALA 23 -12.356 -7.081 0.363 180 HB2 ALA 23 2HB ALA 23 -11.651 -6.206 1.722 181 HB3 ALA 23 3HB ALA 23 -13.262 -6.907 1.866 182 H LEU 24 H LEU 24 -13.325 -8.679 3.821 183 HA LEU 24 HA LEU 24 -11.826 -7.553 5.979 184 HB2 LEU 24 2HB LEU 24 -14.443 -7.907 5.585 185 HB3 LEU 24 1HB LEU 24 -14.122 -9.372 6.491 186 HG LEU 24 HG LEU 24 -14.924 -7.482 7.891 187 HD11 LEU 24 1HD1 LEU 24 -12.201 -7.869 8.906 188 HD12 LEU 24 2HD1 LEU 24 -13.045 -9.355 8.467 189 HD13 LEU 24 3HD1 LEU 24 -13.757 -8.251 9.644 190 HD21 LEU 24 3HD2 LEU 24 -13.945 -5.468 7.947 191 HD22 LEU 24 1HD2 LEU 24 -13.249 -5.942 6.397 192 HD23 LEU 24 2HD2 LEU 24 -12.319 -6.146 7.881 193 H ALA 25 H ALA 25 -12.251 -10.744 4.665 194 HA ALA 25 HA ALA 25 -11.209 -12.105 6.976 195 HB1 ALA 25 1HB ALA 25 -12.088 -12.934 4.245 196 HB2 ALA 25 2HB ALA 25 -12.704 -13.428 5.823 197 HB3 ALA 25 3HB ALA 25 -11.157 -14.048 5.247 198 H VAL 26 H VAL 26 -9.973 -11.300 3.739 199 HA VAL 26 HA VAL 26 -7.550 -12.649 3.909 200 HB VAL 26 HB VAL 26 -6.722 -11.276 2.134 201 HG11 VAL 26 1HG1 VAL 26 -9.684 -11.712 1.800 202 HG12 VAL 26 2HG1 VAL 26 -8.427 -12.927 1.567 203 HG13 VAL 26 3HG1 VAL 26 -8.507 -11.524 0.500 204 HG21 VAL 26 3HG2 VAL 26 -7.270 -9.084 2.964 205 HG22 VAL 26 1HG2 VAL 26 -8.995 -9.404 2.777 206 HG23 VAL 26 2HG2 VAL 26 -7.962 -9.282 1.353 207 H GLN 27 H GLN 27 -8.466 -9.576 5.333 208 HA GLN 27 HA GLN 27 -5.932 -8.499 5.724 209 HB2 GLN 27 2HB GLN 27 -6.881 -7.232 7.580 210 HB3 GLN 27 1HB GLN 27 -8.000 -7.269 6.224 211 HG2 GLN 27 2HG GLN 27 -9.296 -8.990 7.328 212 HG3 GLN 27 1HG GLN 27 -8.179 -8.989 8.681 213 HE21 GLN 27 1HE2 GLN 27 -9.490 -6.258 6.861 214 HE22 GLN 27 2HE2 GLN 27 -10.279 -5.515 8.205 215 H GLU 28 H GLU 28 -7.763 -10.640 7.903 216 HA GLU 28 HA GLU 28 -5.556 -11.021 9.680 217 HB2 GLU 28 2HB GLU 28 -7.405 -11.439 10.907 218 HB3 GLU 28 1HB GLU 28 -8.362 -11.861 9.495 219 HG2 GLU 28 2HG GLU 28 -7.399 -14.097 9.500 220 HG3 GLU 28 1HG GLU 28 -6.414 -13.678 10.901 221 H ARG 29 H ARG 29 -6.787 -12.577 6.838 222 HA ARG 29 HA ARG 29 -5.398 -15.053 7.155 223 HB2 ARG 29 2HB ARG 29 -7.513 -14.404 5.734 224 HB3 ARG 29 1HB ARG 29 -6.318 -14.031 4.502 225 HG2 ARG 29 2HG ARG 29 -7.124 -16.252 4.162 226 HG3 ARG 29 1HG ARG 29 -5.447 -16.337 4.709 227 HD2 ARG 29 2HD ARG 29 -5.996 -17.381 6.623 228 HD3 ARG 29 1HD ARG 29 -7.441 -16.398 6.860 229 HE ARG 29 HE ARG 29 -8.681 -18.024 5.827 230 HH11 ARG 29 1HH1 ARG 29 -5.297 -18.615 5.215 231 HH12 ARG 29 2HH1 ARG 29 -5.569 -20.168 4.498 232 HH21 ARG 29 1HH2 ARG 29 -9.041 -20.066 4.883 233 HH22 ARG 29 2HH2 ARG 29 -7.694 -20.992 4.310 234 H LEU 30 H LEU 30 -4.701 -12.018 5.537 235 HA LEU 30 HA LEU 30 -2.664 -12.761 3.835 236 HB2 LEU 30 2HB LEU 30 -3.778 -10.488 4.155 237 HB3 LEU 30 1HB LEU 30 -2.620 -10.213 5.439 238 HG LEU 30 HG LEU 30 -1.883 -9.149 3.388 239 HD11 LEU 30 1HD1 LEU 30 -0.314 -10.506 5.017 240 HD12 LEU 30 2HD1 LEU 30 0.310 -9.746 3.551 241 HD13 LEU 30 3HD1 LEU 30 -0.044 -11.474 3.566 242 HD21 LEU 30 3HD2 LEU 30 -2.151 -10.057 1.380 243 HD22 LEU 30 1HD2 LEU 30 -2.947 -11.427 2.155 244 HD23 LEU 30 2HD2 LEU 30 -1.211 -11.477 1.840 245 H LYS 31 H LYS 31 -2.374 -11.787 7.245 246 HA LYS 31 HA LYS 31 0.438 -12.259 7.349 247 HB2 LYS 31 2HB LYS 31 0.157 -12.005 9.794 248 HB3 LYS 31 1HB LYS 31 -0.575 -10.692 8.885 249 HG2 LYS 31 2HG LYS 31 -2.464 -12.823 9.360 250 HG3 LYS 31 1HG LYS 31 -1.767 -12.223 10.866 251 HD2 LYS 31 2HD LYS 31 -2.307 -9.927 9.402 252 HD3 LYS 31 1HD LYS 31 -3.687 -10.978 9.082 253 HE2 LYS 31 2HE LYS 31 -4.364 -10.985 11.270 254 HE3 LYS 31 1HE LYS 31 -2.737 -10.710 11.888 255 HZ1 LYS 31 3HZ LYS 31 -3.976 -8.574 10.325 256 HZ2 LYS 31 1HZ LYS 31 -2.921 -8.475 11.644 257 HZ3 LYS 31 2HZ LYS 31 -4.556 -8.829 11.892 258 H ALA 32 H ALA 32 -2.177 -14.359 7.245 259 HA ALA 32 HA ALA 32 -1.256 -16.365 9.042 260 HB1 ALA 32 1HB ALA 32 -3.039 -17.691 8.249 261 HB2 ALA 32 2HB ALA 32 -3.142 -16.778 6.742 262 HB3 ALA 32 3HB ALA 32 -3.625 -16.028 8.264 263 H GLY 33 H GLY 33 0.975 -15.812 7.586 264 HA2 GLY 33 2HA GLY 33 2.681 -17.060 6.685 265 HA3 GLY 33 1HA GLY 33 1.557 -18.382 6.484 266 H GLU 34 H GLU 34 -0.084 -16.079 4.983 267 HA GLU 34 HA GLU 34 1.033 -16.825 2.394 268 HB2 GLU 34 2HB GLU 34 -1.070 -15.699 1.518 269 HB3 GLU 34 1HB GLU 34 -1.301 -17.157 2.473 270 HG2 GLU 34 2HG GLU 34 -1.936 -15.868 4.391 271 HG3 GLU 34 1HG GLU 34 -1.551 -14.364 3.556 272 H LYS 35 H LYS 35 1.435 -15.273 0.740 273 HA LYS 35 HA LYS 35 2.415 -12.736 1.829 274 HB2 LYS 35 2HB LYS 35 3.787 -14.486 0.392 275 HB3 LYS 35 1HB LYS 35 3.036 -13.629 -0.948 276 HG2 LYS 35 2HG LYS 35 4.853 -12.325 -0.793 277 HG3 LYS 35 1HG LYS 35 3.944 -11.548 0.505 278 HD2 LYS 35 2HD LYS 35 5.740 -13.890 1.045 279 HD3 LYS 35 1HD LYS 35 6.376 -12.246 0.973 280 HE2 LYS 35 2HE LYS 35 4.133 -13.152 2.776 281 HE3 LYS 35 1HE LYS 35 5.817 -12.985 3.271 282 HZ1 LYS 35 3HZ LYS 35 3.963 -10.840 2.406 283 HZ2 LYS 35 1HZ LYS 35 5.634 -10.606 2.549 284 HZ3 LYS 35 2HZ LYS 35 4.717 -11.016 3.910 285 H PHE 36 H PHE 36 1.869 -10.769 0.992 286 HA PHE 36 HA PHE 36 -0.700 -10.353 0.059 287 HB2 PHE 36 2HB PHE 36 0.267 -8.081 -0.711 288 HB3 PHE 36 1HB PHE 36 0.342 -8.480 1.001 289 HD1 PHE 36 1HD PHE 36 2.349 -8.591 -2.125 290 HD2 PHE 36 2HD PHE 36 2.366 -8.396 2.125 291 HE1 PHE 36 1HE PHE 36 4.783 -8.237 -2.154 292 HE2 PHE 36 2HE PHE 36 4.800 -8.038 2.105 293 HZ PHE 36 HZ PHE 36 6.012 -7.960 -0.038 294 H GLY 37 H GLY 37 2.277 -10.848 -1.740 295 HA2 GLY 37 2HA GLY 37 1.351 -10.104 -4.287 296 HA3 GLY 37 1HA GLY 37 2.678 -11.209 -3.966 297 H LYS 38 H LYS 38 1.133 -13.135 -2.517 298 HA LYS 38 HA LYS 38 0.288 -14.775 -4.623 299 HB2 LYS 38 2HB LYS 38 1.025 -15.701 -2.506 300 HB3 LYS 38 1HB LYS 38 -0.312 -14.930 -1.665 301 HG2 LYS 38 2HG LYS 38 -1.745 -16.557 -2.206 302 HG3 LYS 38 1HG LYS 38 -1.142 -16.673 -3.861 303 HD2 LYS 38 2HD LYS 38 0.345 -18.306 -3.344 304 HD3 LYS 38 1HD LYS 38 0.661 -17.654 -1.735 305 HE2 LYS 38 2HE LYS 38 -1.295 -18.636 -0.849 306 HE3 LYS 38 1HE LYS 38 -1.933 -18.995 -2.453 307 HZ1 LYS 38 3HZ LYS 38 0.351 -20.351 -2.517 308 HZ2 LYS 38 1HZ LYS 38 -1.112 -21.022 -1.993 309 HZ3 LYS 38 2HZ LYS 38 0.010 -20.453 -0.864 310 H LEU 39 H LEU 39 -1.650 -13.075 -2.171 311 HA LEU 39 HA LEU 39 -4.172 -13.764 -3.060 312 HB2 LEU 39 2HB LEU 39 -3.270 -11.175 -1.809 313 HB3 LEU 39 1HB LEU 39 -4.942 -11.641 -2.009 314 HG LEU 39 HG LEU 39 -4.425 -12.095 0.243 315 HD11 LEU 39 1HD1 LEU 39 -4.511 -14.578 0.392 316 HD12 LEU 39 2HD1 LEU 39 -4.267 -14.639 -1.352 317 HD13 LEU 39 3HD1 LEU 39 -5.707 -13.866 -0.690 318 HD21 LEU 39 3HD2 LEU 39 -2.490 -13.040 1.082 319 HD22 LEU 39 1HD2 LEU 39 -1.888 -12.073 -0.266 320 HD23 LEU 39 2HD2 LEU 39 -2.082 -13.817 -0.445 321 H ALA 40 H ALA 40 -1.975 -11.299 -4.272 322 HA ALA 40 HA ALA 40 -3.669 -9.746 -5.795 323 HB1 ALA 40 1HB ALA 40 -0.988 -9.858 -5.460 324 HB2 ALA 40 2HB ALA 40 -1.796 -8.862 -6.670 325 HB3 ALA 40 3HB ALA 40 -1.138 -10.434 -7.120 326 H LYS 41 H LYS 41 -1.960 -12.679 -6.846 327 HA LYS 41 HA LYS 41 -3.544 -12.802 -9.267 328 HB2 LYS 41 2HB LYS 41 -2.175 -14.768 -9.807 329 HB3 LYS 41 1HB LYS 41 -1.183 -13.375 -9.397 330 HG2 LYS 41 2HG LYS 41 -1.751 -14.980 -7.065 331 HG3 LYS 41 1HG LYS 41 -0.998 -15.935 -8.343 332 HD2 LYS 41 2HD LYS 41 0.250 -13.326 -7.993 333 HD3 LYS 41 1HD LYS 41 0.314 -14.317 -6.535 334 HE2 LYS 41 2HE LYS 41 1.907 -15.600 -7.407 335 HE3 LYS 41 1HE LYS 41 0.938 -15.906 -8.849 336 HZ1 LYS 41 3HZ LYS 41 1.851 -14.075 -9.935 337 HZ2 LYS 41 1HZ LYS 41 3.178 -14.769 -9.148 338 HZ3 LYS 41 2HZ LYS 41 2.444 -13.385 -8.512 339 H GLU 42 H GLU 42 -3.560 -14.151 -6.086 340 HA GLU 42 HA GLU 42 -4.980 -16.529 -6.655 341 HB2 GLU 42 2HB GLU 42 -3.923 -15.188 -4.361 342 HB3 GLU 42 1HB GLU 42 -5.553 -15.720 -4.008 343 HG2 GLU 42 2HG GLU 42 -4.058 -17.779 -5.359 344 HG3 GLU 42 1HG GLU 42 -3.228 -17.230 -3.905 345 H LEU 43 H LEU 43 -6.298 -13.691 -4.857 346 HA LEU 43 HA LEU 43 -8.861 -14.298 -6.181 347 HB2 LEU 43 2HB LEU 43 -9.906 -13.232 -4.091 348 HB3 LEU 43 1HB LEU 43 -9.322 -14.880 -4.006 349 HG LEU 43 HG LEU 43 -8.818 -13.440 -2.012 350 HD11 LEU 43 1HD1 LEU 43 -7.318 -15.406 -3.255 351 HD12 LEU 43 2HD1 LEU 43 -7.171 -14.858 -1.587 352 HD13 LEU 43 3HD1 LEU 43 -6.146 -14.156 -2.839 353 HD21 LEU 43 3HD2 LEU 43 -8.206 -11.465 -3.587 354 HD22 LEU 43 1HD2 LEU 43 -6.614 -12.221 -3.613 355 HD23 LEU 43 2HD2 LEU 43 -7.314 -11.697 -2.083 356 H SER 44 H SER 44 -6.512 -11.873 -5.629 357 HA SER 44 HA SER 44 -8.163 -9.591 -5.742 358 HB2 SER 44 2HB SER 44 -5.511 -9.962 -5.371 359 HB3 SER 44 1HB SER 44 -5.514 -9.366 -7.025 360 HG SER 44 HG SER 44 -5.623 -7.495 -6.065 361 H ILE 45 H ILE 45 -8.893 -8.341 -7.375 362 HA ILE 45 HA ILE 45 -8.819 -9.529 -10.056 363 HB ILE 45 HB ILE 45 -10.797 -7.943 -10.454 364 HG12 ILE 45 2HG1 ILE 45 -11.316 -8.071 -7.535 365 HG13 ILE 45 1HG1 ILE 45 -10.139 -6.880 -8.073 366 HG21 ILE 45 1HG2 ILE 45 -12.238 -9.579 -8.877 367 HG22 ILE 45 2HG2 ILE 45 -10.713 -10.464 -8.934 368 HG23 ILE 45 3HG2 ILE 45 -11.558 -10.065 -10.430 369 HD11 ILE 45 3HD1 ILE 45 -12.993 -6.791 -8.167 370 HD12 ILE 45 1HD1 ILE 45 -12.330 -6.634 -9.795 371 HD13 ILE 45 2HD1 ILE 45 -11.818 -5.523 -8.524 372 H ASP 46 H ASP 46 -7.532 -7.035 -8.247 373 HA ASP 46 HA ASP 46 -7.534 -4.776 -9.770 374 HB2 ASP 46 2HB ASP 46 -6.446 -4.718 -7.664 375 HB3 ASP 46 1HB ASP 46 -5.333 -6.002 -8.111 376 H GLY 47 H GLY 47 -6.631 -4.062 -11.610 377 HA2 GLY 47 2HA GLY 47 -5.843 -5.885 -13.590 378 HA3 GLY 47 1HA GLY 47 -5.660 -4.139 -13.684 379 H GLY 48 H GLY 48 -3.760 -5.224 -14.932 380 HA2 GLY 48 2HA GLY 48 -1.604 -6.437 -14.500 381 HA3 GLY 48 1HA GLY 48 -1.403 -4.735 -14.853 382 H SER 49 H SER 49 -2.119 -3.611 -12.365 383 HA SER 49 HA SER 49 0.262 -3.713 -10.972 384 HB2 SER 49 2HB SER 49 -2.099 -2.302 -10.728 385 HB3 SER 49 1HB SER 49 -2.028 -3.213 -9.221 386 HG SER 49 HG SER 49 -0.272 -2.145 -8.632 387 H ALA 50 H ALA 50 -2.514 -5.820 -10.720 388 HA ALA 50 HA ALA 50 -1.750 -7.080 -8.271 389 HB1 ALA 50 1HB ALA 50 -3.561 -8.531 -8.601 390 HB2 ALA 50 2HB ALA 50 -3.527 -8.315 -10.352 391 HB3 ALA 50 3HB ALA 50 -4.084 -7.004 -9.313 392 H LYS 51 H LYS 51 -0.960 -7.449 -11.603 393 HA LYS 51 HA LYS 51 0.022 -10.112 -11.490 394 HB2 LYS 51 2HB LYS 51 0.104 -7.850 -13.425 395 HB3 LYS 51 1HB LYS 51 1.229 -9.169 -13.639 396 HG2 LYS 51 2HG LYS 51 -1.733 -9.557 -13.379 397 HG3 LYS 51 1HG LYS 51 -0.912 -9.343 -14.925 398 HD2 LYS 51 2HD LYS 51 -0.329 -11.491 -14.962 399 HD3 LYS 51 1HD LYS 51 0.438 -11.346 -13.379 400 HE2 LYS 51 2HE LYS 51 -1.291 -12.306 -12.326 401 HE3 LYS 51 1HE LYS 51 -2.482 -11.412 -13.270 402 HZ1 LYS 51 3HZ LYS 51 -0.981 -13.724 -14.358 403 HZ2 LYS 51 1HZ LYS 51 -2.361 -12.985 -15.001 404 HZ3 LYS 51 2HZ LYS 51 -2.472 -13.888 -13.577 405 H ARG 52 H ARG 52 1.179 -7.165 -10.365 406 HA ARG 52 HA ARG 52 3.970 -8.054 -10.410 407 HB2 ARG 52 2HB ARG 52 3.593 -5.413 -9.299 408 HB3 ARG 52 1HB ARG 52 4.539 -5.915 -10.686 409 HG2 ARG 52 2HG ARG 52 2.452 -5.854 -12.048 410 HG3 ARG 52 1HG ARG 52 1.638 -5.146 -10.653 411 HD2 ARG 52 2HD ARG 52 3.365 -3.334 -10.673 412 HD3 ARG 52 1HD ARG 52 3.963 -4.001 -12.191 413 HE ARG 52 HE ARG 52 1.357 -3.616 -12.722 414 HH11 ARG 52 1HH1 ARG 52 3.790 -1.530 -11.337 415 HH12 ARG 52 2HH1 ARG 52 3.068 -0.078 -11.945 416 HH21 ARG 52 1HH2 ARG 52 0.409 -1.708 -13.523 417 HH22 ARG 52 2HH2 ARG 52 1.150 -0.178 -13.185 418 H ASP 53 H ASP 53 1.786 -9.039 -8.641 419 HA ASP 53 HA ASP 53 1.637 -9.834 -6.530 420 HB2 ASP 53 2HB ASP 53 3.521 -10.092 -5.272 421 HB3 ASP 53 1HB ASP 53 4.281 -9.647 -6.792 422 H GLY 54 H GLY 54 1.080 -6.866 -7.460 423 HA2 GLY 54 2HA GLY 54 -0.108 -5.126 -6.555 424 HA3 GLY 54 1HA GLY 54 -0.423 -6.169 -5.175 425 H SER 55 H SER 55 2.843 -5.489 -6.103 426 HA SER 55 HA SER 55 3.389 -4.319 -3.546 427 HB2 SER 55 2HB SER 55 5.714 -3.991 -4.641 428 HB3 SER 55 1HB SER 55 5.152 -5.638 -4.358 429 HG SER 55 HG SER 55 5.232 -4.194 -6.786 430 H LEU 56 H LEU 56 2.028 -2.471 -3.619 431 HA LEU 56 HA LEU 56 2.049 -0.469 -5.530 432 HB2 LEU 56 2HB LEU 56 1.547 -0.426 -2.571 433 HB3 LEU 56 1HB LEU 56 1.442 1.034 -3.518 434 HG LEU 56 HG LEU 56 -0.289 -1.418 -3.686 435 HD11 LEU 56 1HD1 LEU 56 -2.054 0.409 -3.509 436 HD12 LEU 56 2HD1 LEU 56 -0.729 1.480 -3.053 437 HD13 LEU 56 3HD1 LEU 56 -1.098 0.064 -2.068 438 HD21 LEU 56 3HD2 LEU 56 -0.135 -1.068 -5.936 439 HD22 LEU 56 1HD2 LEU 56 0.257 0.644 -5.756 440 HD23 LEU 56 2HD2 LEU 56 -1.406 0.094 -5.545 441 H GLY 57 H GLY 57 4.442 -1.270 -3.165 442 HA2 GLY 57 2HA GLY 57 6.536 -0.424 -2.770 443 HA3 GLY 57 1HA GLY 57 6.419 0.326 -4.353 444 H TYR 58 H TYR 58 7.698 2.019 -3.297 445 HA TYR 58 HA TYR 58 6.529 3.597 -1.230 446 HB2 TYR 58 2HB TYR 58 8.464 5.086 -2.786 447 HB3 TYR 58 1HB TYR 58 8.533 4.591 -1.104 448 HD1 TYR 58 1HD TYR 58 9.291 3.522 -4.570 449 HD2 TYR 58 2HD TYR 58 9.920 2.790 -0.425 450 HE1 TYR 58 1HE TYR 58 11.096 1.947 -5.126 451 HE2 TYR 58 2HE TYR 58 11.724 1.210 -0.972 452 HH TYR 58 HH TYR 58 13.263 0.729 -2.786 453 H PHE 59 H PHE 59 4.791 4.772 -1.490 454 HA PHE 59 HA PHE 59 4.555 6.432 -3.912 455 HB2 PHE 59 2HB PHE 59 2.512 4.747 -2.558 456 HB3 PHE 59 1HB PHE 59 1.999 6.299 -3.191 457 HD1 PHE 59 1HD PHE 59 4.368 3.734 -4.503 458 HD2 PHE 59 2HD PHE 59 0.794 5.962 -5.111 459 HE1 PHE 59 1HE PHE 59 4.151 2.766 -6.754 460 HE2 PHE 59 2HE PHE 59 0.570 4.995 -7.363 461 HZ PHE 59 HZ PHE 59 2.250 3.395 -8.186 462 H GLY 60 H GLY 60 3.229 8.412 -3.508 463 HA2 GLY 60 2HA GLY 60 3.615 9.309 -0.721 464 HA3 GLY 60 1HA GLY 60 3.931 10.353 -2.097 465 H ARG 61 H ARG 61 2.385 11.650 -0.636 466 HA ARG 61 HA ARG 61 -0.395 10.917 -0.816 467 HB2 ARG 61 2HB ARG 61 -0.770 13.076 0.357 468 HB3 ARG 61 1HB ARG 61 0.346 12.014 1.205 469 HG2 ARG 61 2HG ARG 61 1.950 13.584 -0.454 470 HG3 ARG 61 1HG ARG 61 0.747 14.687 0.217 471 HD2 ARG 61 2HD ARG 61 1.917 14.753 2.102 472 HD3 ARG 61 1HD ARG 61 1.585 13.038 2.338 473 HE ARG 61 HE ARG 61 4.046 14.231 1.400 474 HH11 ARG 61 1HH1 ARG 61 2.150 11.310 1.650 475 HH12 ARG 61 2HH1 ARG 61 3.516 10.262 1.479 476 HH21 ARG 61 1HH2 ARG 61 5.841 12.851 1.174 477 HH22 ARG 61 2HH2 ARG 61 5.612 11.136 1.208 478 H GLY 62 H GLY 62 -0.933 10.935 -2.955 479 HA2 GLY 62 2HA GLY 62 -2.056 12.954 -4.193 480 HA3 GLY 62 1HA GLY 62 -0.379 13.346 -4.508 481 H LYS 63 H LYS 63 -1.779 10.101 -4.409 482 HA LYS 63 HA LYS 63 -1.653 9.919 -7.316 483 HB2 LYS 63 2HB LYS 63 0.338 8.806 -5.537 484 HB3 LYS 63 1HB LYS 63 -0.459 7.534 -6.454 485 HG2 LYS 63 2HG LYS 63 0.419 9.922 -7.961 486 HG3 LYS 63 1HG LYS 63 1.675 8.844 -7.350 487 HD2 LYS 63 2HD LYS 63 -0.001 7.026 -8.389 488 HD3 LYS 63 1HD LYS 63 -0.367 8.395 -9.442 489 HE2 LYS 63 2HE LYS 63 2.418 7.379 -8.902 490 HE3 LYS 63 1HE LYS 63 1.440 6.884 -10.283 491 HZ1 LYS 63 3HZ LYS 63 3.118 8.831 -10.507 492 HZ2 LYS 63 1HZ LYS 63 1.889 9.747 -9.790 493 HZ3 LYS 63 2HZ LYS 63 1.604 8.942 -11.250 494 H MET 64 H MET 64 -2.336 8.223 -4.266 495 HA MET 64 HA MET 64 -4.232 6.480 -5.622 496 HB2 MET 64 2HB MET 64 -3.771 6.510 -2.658 497 HB3 MET 64 1HB MET 64 -4.270 5.173 -3.683 498 HG2 MET 64 2HG MET 64 -2.172 4.490 -3.749 499 HG3 MET 64 1HG MET 64 -1.750 5.962 -4.621 500 HE1 MET 64 3HE MET 64 -0.488 3.835 -2.209 501 HE2 MET 64 1HE MET 64 -1.797 4.173 -1.077 502 HE3 MET 64 2HE MET 64 -0.153 4.691 -0.704 503 H VAL 65 H VAL 65 -6.383 6.124 -4.571 504 HA VAL 65 HA VAL 65 -7.873 8.505 -4.578 505 HB VAL 65 HB VAL 65 -9.768 7.129 -3.819 506 HG11 VAL 65 1HG1 VAL 65 -7.992 6.173 -6.024 507 HG12 VAL 65 2HG1 VAL 65 -9.535 7.022 -6.115 508 HG13 VAL 65 3HG1 VAL 65 -9.493 5.317 -5.666 509 HG21 VAL 65 3HG2 VAL 65 -8.278 4.607 -3.869 510 HG22 VAL 65 1HG2 VAL 65 -9.564 5.144 -2.790 511 HG23 VAL 65 2HG2 VAL 65 -7.902 5.648 -2.499 512 H LYS 66 H LYS 66 -9.324 9.214 -2.775 513 HA LYS 66 HA LYS 66 -7.811 10.061 -0.589 514 HB2 LYS 66 2HB LYS 66 -10.254 10.707 -1.666 515 HB3 LYS 66 1HB LYS 66 -10.700 10.015 -0.113 516 HG2 LYS 66 2HG LYS 66 -8.482 11.883 0.087 517 HG3 LYS 66 1HG LYS 66 -9.942 12.615 -0.578 518 HD2 LYS 66 2HD LYS 66 -10.899 11.110 1.520 519 HD3 LYS 66 1HD LYS 66 -9.364 11.722 2.137 520 HE2 LYS 66 2HE LYS 66 -11.265 13.214 2.641 521 HE3 LYS 66 1HE LYS 66 -10.023 13.991 1.658 522 HZ1 LYS 66 3HZ LYS 66 -12.636 14.028 1.088 523 HZ2 LYS 66 1HZ LYS 66 -12.140 12.699 0.163 524 HZ3 LYS 66 2HZ LYS 66 -11.416 14.211 -0.069 525 HA PRO 67 HA PRO 67 -10.184 6.801 2.096 526 HB2 PRO 67 2HB PRO 67 -10.954 4.556 0.684 527 HB3 PRO 67 1HB PRO 67 -12.033 5.841 1.193 528 HG2 PRO 67 2HG PRO 67 -10.898 5.259 -1.465 529 HG3 PRO 67 1HG PRO 67 -12.402 6.087 -1.041 530 HD2 PRO 67 2HD PRO 67 -10.111 7.326 -1.942 531 HD3 PRO 67 1HD PRO 67 -11.395 8.123 -1.030 532 H PHE 68 H PHE 68 -8.467 5.627 -0.741 533 HA PHE 68 HA PHE 68 -7.125 3.513 0.650 534 HB2 PHE 68 2HB PHE 68 -7.611 3.573 -1.839 535 HB3 PHE 68 1HB PHE 68 -6.306 4.745 -1.982 536 HD1 PHE 68 1HD PHE 68 -7.142 1.253 -1.254 537 HD2 PHE 68 2HD PHE 68 -4.015 4.088 -1.792 538 HE1 PHE 68 1HE PHE 68 -5.514 -0.582 -1.430 539 HE2 PHE 68 2HE PHE 68 -2.381 2.258 -1.971 540 HZ PHE 68 HZ PHE 68 -3.130 -0.080 -1.788 541 H GLU 69 H GLU 69 -6.059 6.652 -0.669 542 HA GLU 69 HA GLU 69 -3.422 6.559 0.203 543 HB2 GLU 69 2HB GLU 69 -4.665 8.274 -1.304 544 HB3 GLU 69 1HB GLU 69 -4.995 9.114 0.204 545 HG2 GLU 69 2HG GLU 69 -2.260 8.527 0.243 546 HG3 GLU 69 1HG GLU 69 -2.611 9.079 -1.394 547 H ASP 70 H ASP 70 -6.355 7.345 1.925 548 HA ASP 70 HA ASP 70 -5.188 8.540 4.198 549 HB2 ASP 70 2HB ASP 70 -7.829 7.376 3.509 550 HB3 ASP 70 1HB ASP 70 -7.446 7.500 5.224 551 H ALA 71 H ALA 71 -6.311 5.211 3.638 552 HA ALA 71 HA ALA 71 -5.300 4.262 6.138 553 HB1 ALA 71 1HB ALA 71 -5.737 1.987 4.864 554 HB2 ALA 71 2HB ALA 71 -6.634 3.051 3.781 555 HB3 ALA 71 3HB ALA 71 -7.060 2.972 5.489 556 H ALA 72 H ALA 72 -3.778 5.009 3.237 557 HA ALA 72 HA ALA 72 -1.876 2.902 3.108 558 HB1 ALA 72 1HB ALA 72 -1.001 3.989 1.304 559 HB2 ALA 72 2HB ALA 72 -1.235 5.588 2.012 560 HB3 ALA 72 3HB ALA 72 -2.610 4.711 1.340 561 H PHE 73 H PHE 73 -1.871 6.086 4.652 562 HA PHE 73 HA PHE 73 0.811 5.517 5.710 563 HB2 PHE 73 2HB PHE 73 0.742 7.989 6.346 564 HB3 PHE 73 1HB PHE 73 0.842 7.609 4.631 565 HD1 PHE 73 1HD PHE 73 -1.771 8.177 7.236 566 HD2 PHE 73 2HD PHE 73 -0.514 8.792 3.217 567 HE1 PHE 73 1HE PHE 73 -3.773 9.547 6.824 568 HE2 PHE 73 2HE PHE 73 -2.514 10.163 2.797 569 HZ PHE 73 HZ PHE 73 -4.145 10.541 4.601 570 H ARG 74 H ARG 74 -1.986 4.621 6.720 571 HA ARG 74 HA ARG 74 -1.850 5.775 9.409 572 HB2 ARG 74 2HB ARG 74 -4.058 5.054 9.756 573 HB3 ARG 74 1HB ARG 74 -4.038 5.612 8.091 574 HG2 ARG 74 2HG ARG 74 -4.014 3.384 7.260 575 HG3 ARG 74 1HG ARG 74 -3.737 2.722 8.870 576 HD2 ARG 74 2HD ARG 74 -6.113 4.404 8.710 577 HD3 ARG 74 1HD ARG 74 -6.179 3.003 7.641 578 HE ARG 74 HE ARG 74 -5.367 1.936 9.982 579 HH11 ARG 74 1HH1 ARG 74 -8.026 4.026 9.128 580 HH12 ARG 74 2HH1 ARG 74 -9.060 3.430 10.384 581 HH21 ARG 74 1HH2 ARG 74 -6.722 1.150 11.632 582 HH22 ARG 74 2HH2 ARG 74 -8.320 1.797 11.806 583 H LEU 75 H LEU 75 -1.298 2.831 7.654 584 HA LEU 75 HA LEU 75 -0.872 1.373 10.163 585 HB2 LEU 75 2HB LEU 75 -1.250 0.449 7.330 586 HB3 LEU 75 1HB LEU 75 -0.710 -0.628 8.595 587 HG LEU 75 HG LEU 75 -3.403 0.481 8.078 588 HD11 LEU 75 1HD1 LEU 75 -3.179 -1.764 7.585 589 HD12 LEU 75 2HD1 LEU 75 -3.885 -1.784 9.201 590 HD13 LEU 75 3HD1 LEU 75 -2.157 -2.073 8.990 591 HD21 LEU 75 3HD2 LEU 75 -2.466 -0.135 10.881 592 HD22 LEU 75 1HD2 LEU 75 -4.115 0.243 10.384 593 HD23 LEU 75 2HD2 LEU 75 -2.858 1.475 10.271 594 H GLN 76 H GLN 76 1.081 2.858 10.265 595 HA GLN 76 HA GLN 76 3.314 2.255 8.583 596 HB2 GLN 76 2HB GLN 76 2.906 3.823 11.103 597 HB3 GLN 76 1HB GLN 76 4.538 3.427 10.587 598 HG2 GLN 76 2HG GLN 76 3.499 4.402 8.286 599 HG3 GLN 76 1HG GLN 76 2.619 5.350 9.483 600 HE21 GLN 76 1HE2 GLN 76 4.110 6.818 7.972 601 HE22 GLN 76 2HE2 GLN 76 5.586 7.297 8.732 602 H VAL 77 H VAL 77 1.848 0.798 11.282 603 HA VAL 77 HA VAL 77 4.069 -0.479 12.481 604 HB VAL 77 HB VAL 77 2.078 -0.393 13.763 605 HG11 VAL 77 1HG1 VAL 77 0.327 -0.088 12.287 606 HG12 VAL 77 2HG1 VAL 77 0.021 -1.715 12.891 607 HG13 VAL 77 3HG1 VAL 77 0.768 -1.488 11.310 608 HG21 VAL 77 3HG2 VAL 77 3.391 -2.753 13.401 609 HG22 VAL 77 1HG2 VAL 77 1.718 -3.230 13.105 610 HG23 VAL 77 2HG2 VAL 77 2.163 -2.463 14.631 611 H GLY 78 H GLY 78 2.167 -1.151 9.649 612 HA2 GLY 78 2HA GLY 78 2.929 -2.562 7.901 613 HA3 GLY 78 1HA GLY 78 3.905 -3.425 9.072 614 H GLU 79 H GLU 79 0.486 -2.634 8.696 615 HA GLU 79 HA GLU 79 -0.129 -5.492 8.919 616 HB2 GLU 79 2HB GLU 79 -0.259 -4.075 11.099 617 HB3 GLU 79 1HB GLU 79 -1.747 -3.477 10.411 618 HG2 GLU 79 2HG GLU 79 -1.655 -6.339 10.259 619 HG3 GLU 79 1HG GLU 79 -1.354 -5.796 11.910 620 H VAL 80 H VAL 80 -2.638 -5.739 8.629 621 HA VAL 80 HA VAL 80 -3.231 -4.455 6.121 622 HB VAL 80 HB VAL 80 -4.895 -6.455 7.659 623 HG11 VAL 80 1HG1 VAL 80 -6.472 -5.759 6.214 624 HG12 VAL 80 2HG1 VAL 80 -5.579 -6.732 5.045 625 HG13 VAL 80 3HG1 VAL 80 -5.298 -4.995 5.144 626 HG21 VAL 80 3HG2 VAL 80 -4.023 -8.095 6.027 627 HG22 VAL 80 1HG2 VAL 80 -2.759 -7.419 7.057 628 HG23 VAL 80 2HG2 VAL 80 -2.938 -6.854 5.396 629 H SER 81 H SER 81 -5.017 -3.118 5.698 630 HA SER 81 HA SER 81 -6.026 -1.751 8.090 631 HB2 SER 81 2HB SER 81 -4.729 -0.535 6.214 632 HB3 SER 81 1HB SER 81 -6.225 -0.671 5.289 633 HG SER 81 HG SER 81 -5.798 1.275 6.728 634 H GLU 82 H GLU 82 -8.195 -0.809 7.947 635 HA GLU 82 HA GLU 82 -10.165 -2.702 7.768 636 HB2 GLU 82 2HB GLU 82 -10.339 0.299 7.568 637 HB3 GLU 82 1HB GLU 82 -11.758 -0.734 7.684 638 HG2 GLU 82 2HG GLU 82 -11.460 -1.120 9.873 639 HG3 GLU 82 1HG GLU 82 -9.705 -1.213 9.725 640 HA PRO 83 HA PRO 83 -11.423 -3.342 3.620 641 HB2 PRO 83 2HB PRO 83 -14.158 -3.234 3.863 642 HB3 PRO 83 1HB PRO 83 -13.180 -4.636 4.310 643 HG2 PRO 83 2HG PRO 83 -14.275 -2.455 6.045 644 HG3 PRO 83 1HG PRO 83 -14.229 -4.203 6.342 645 HD2 PRO 83 2HD PRO 83 -12.459 -2.562 7.492 646 HD3 PRO 83 1HD PRO 83 -11.974 -4.169 6.914 647 H VAL 84 H VAL 84 -10.837 -1.610 2.393 648 HA VAL 84 HA VAL 84 -12.533 0.791 2.475 649 HB VAL 84 HB VAL 84 -9.854 0.338 1.149 650 HG11 VAL 84 1HG1 VAL 84 -11.545 2.832 1.295 651 HG12 VAL 84 2HG1 VAL 84 -11.173 1.894 -0.154 652 HG13 VAL 84 3HG1 VAL 84 -9.888 2.755 0.692 653 HG21 VAL 84 3HG2 VAL 84 -10.708 1.564 3.720 654 HG22 VAL 84 1HG2 VAL 84 -9.333 2.261 2.863 655 HG23 VAL 84 2HG2 VAL 84 -9.301 0.566 3.355 656 H LYS 85 H LYS 85 -14.294 0.341 1.244 657 HA LYS 85 HA LYS 85 -13.896 -0.810 -1.416 658 HB2 LYS 85 2HB LYS 85 -15.660 -1.719 0.138 659 HB3 LYS 85 1HB LYS 85 -16.508 -0.189 -0.032 660 HG2 LYS 85 2HG LYS 85 -15.791 -1.884 -2.403 661 HG3 LYS 85 1HG LYS 85 -17.283 -2.117 -1.488 662 HD2 LYS 85 2HD LYS 85 -17.634 0.417 -1.865 663 HD3 LYS 85 1HD LYS 85 -16.426 0.234 -3.137 664 HE2 LYS 85 2HE LYS 85 -18.288 -1.877 -3.427 665 HE3 LYS 85 1HE LYS 85 -19.207 -0.389 -3.206 666 HZ1 LYS 85 3HZ LYS 85 -17.214 -1.011 -5.302 667 HZ2 LYS 85 1HZ LYS 85 -17.697 0.576 -4.970 668 HZ3 LYS 85 2HZ LYS 85 -18.833 -0.561 -5.494 669 H SER 86 H SER 86 -13.518 0.582 -2.995 670 HA SER 86 HA SER 86 -14.843 3.211 -2.900 671 HB2 SER 86 2HB SER 86 -12.379 2.457 -4.487 672 HB3 SER 86 1HB SER 86 -13.043 4.075 -4.260 673 HG SER 86 HG SER 86 -12.604 3.797 -1.994 674 H GLU 87 H GLU 87 -14.775 4.072 -5.404 675 HA GLU 87 HA GLU 87 -16.887 2.780 -6.675 676 HB2 GLU 87 2HB GLU 87 -16.126 4.126 -8.713 677 HB3 GLU 87 1HB GLU 87 -16.528 5.029 -7.258 678 HG2 GLU 87 2HG GLU 87 -13.717 4.274 -7.413 679 HG3 GLU 87 1HG GLU 87 -14.247 5.307 -8.741 680 H PHE 88 H PHE 88 -13.522 2.051 -6.707 681 HA PHE 88 HA PHE 88 -13.634 0.516 -9.156 682 HB2 PHE 88 2HB PHE 88 -11.547 1.431 -7.295 683 HB3 PHE 88 1HB PHE 88 -11.256 -0.162 -7.988 684 HD1 PHE 88 1HD PHE 88 -11.606 -0.308 -10.590 685 HD2 PHE 88 2HD PHE 88 -10.829 3.283 -8.446 686 HE1 PHE 88 1HE PHE 88 -10.776 0.740 -12.656 687 HE2 PHE 88 2HE PHE 88 -9.998 4.340 -10.507 688 HZ PHE 88 HZ PHE 88 -9.971 3.067 -12.617 689 H GLY 89 H GLY 89 -13.949 -0.044 -5.734 690 HA2 GLY 89 2HA GLY 89 -15.277 -2.302 -5.577 691 HA3 GLY 89 1HA GLY 89 -13.735 -2.944 -6.116 692 H TYR 90 H TYR 90 -13.960 -4.158 -4.084 693 HA TYR 90 HA TYR 90 -13.573 -2.706 -1.620 694 HB2 TYR 90 2HB TYR 90 -14.422 -5.327 -2.420 695 HB3 TYR 90 1HB TYR 90 -13.103 -5.480 -1.275 696 HD1 TYR 90 1HD TYR 90 -16.486 -4.102 -1.779 697 HD2 TYR 90 2HD TYR 90 -13.429 -4.978 1.042 698 HE1 TYR 90 1HE TYR 90 -18.068 -3.683 0.056 699 HE2 TYR 90 2HE TYR 90 -15.002 -4.573 2.885 700 HH TYR 90 HH TYR 90 -17.073 -3.371 3.305 701 H HIS 91 H HIS 91 -11.639 -1.805 -1.355 702 HA HIS 91 HA HIS 91 -9.253 -3.105 -2.386 703 HB2 HIS 91 2HB HIS 91 -9.629 -0.415 -1.062 704 HB3 HIS 91 1HB HIS 91 -8.138 -0.990 -1.794 705 HD1 HIS 91 1HD HIS 91 -11.734 -0.355 -2.857 706 HD2 HIS 91 2HD HIS 91 -7.872 -0.247 -4.385 707 HE1 HIS 91 1HE HIS 91 -11.959 0.552 -5.192 708 HE2 HIS 91 2HE HIS 91 -9.617 0.543 -6.122 709 H VAL 92 H VAL 92 -7.339 -3.303 -1.143 710 HA VAL 92 HA VAL 92 -7.622 -3.462 1.763 711 HB VAL 92 HB VAL 92 -6.440 -5.730 0.151 712 HG11 VAL 92 1HG1 VAL 92 -6.621 -5.071 3.016 713 HG12 VAL 92 2HG1 VAL 92 -5.433 -6.041 2.145 714 HG13 VAL 92 3HG1 VAL 92 -6.990 -6.741 2.589 715 HG21 VAL 92 3HG2 VAL 92 -8.585 -6.836 1.344 716 HG22 VAL 92 1HG2 VAL 92 -8.604 -6.198 -0.300 717 HG23 VAL 92 2HG2 VAL 92 -9.207 -5.215 1.034 718 H ILE 93 H ILE 93 -5.535 -3.369 2.863 719 HA ILE 93 HA ILE 93 -3.268 -2.759 1.116 720 HB ILE 93 HB ILE 93 -3.337 -0.912 3.357 721 HG12 ILE 93 2HG1 ILE 93 -5.557 -0.766 1.307 722 HG13 ILE 93 1HG1 ILE 93 -5.740 -0.931 3.048 723 HG21 ILE 93 1HG2 ILE 93 -2.208 0.381 1.917 724 HG22 ILE 93 2HG2 ILE 93 -3.368 0.119 0.616 725 HG23 ILE 93 3HG2 ILE 93 -2.114 -1.080 0.933 726 HD11 ILE 93 3HD1 ILE 93 -4.542 1.319 3.200 727 HD12 ILE 93 1HD1 ILE 93 -6.206 1.306 2.617 728 HD13 ILE 93 2HD1 ILE 93 -4.873 1.460 1.473 729 H LYS 94 H LYS 94 -1.500 -3.735 1.731 730 HA LYS 94 HA LYS 94 -1.056 -4.285 4.587 731 HB2 LYS 94 2HB LYS 94 -1.705 -6.389 3.565 732 HB3 LYS 94 1HB LYS 94 -0.542 -6.162 2.270 733 HG2 LYS 94 2HG LYS 94 0.195 -7.787 3.973 734 HG3 LYS 94 1HG LYS 94 1.295 -6.419 3.798 735 HD2 LYS 94 2HD LYS 94 0.600 -5.454 5.817 736 HD3 LYS 94 1HD LYS 94 -0.866 -6.434 5.881 737 HE2 LYS 94 2HE LYS 94 0.770 -7.220 7.502 738 HE3 LYS 94 1HE LYS 94 0.490 -8.435 6.256 739 HZ1 LYS 94 3HZ LYS 94 2.547 -7.122 5.207 740 HZ2 LYS 94 1HZ LYS 94 2.726 -8.465 6.221 741 HZ3 LYS 94 2HZ LYS 94 2.885 -6.904 6.850 742 H ARG 95 H ARG 95 0.638 -3.110 5.187 743 HA ARG 95 HA ARG 95 2.376 -1.790 3.488 744 HB2 ARG 95 2HB ARG 95 1.907 -1.832 6.207 745 HB3 ARG 95 1HB ARG 95 3.570 -2.387 6.076 746 HG2 ARG 95 2HG ARG 95 3.717 -0.296 4.436 747 HG3 ARG 95 1HG ARG 95 2.396 0.257 5.467 748 HD2 ARG 95 2HD ARG 95 3.998 0.972 6.854 749 HD3 ARG 95 1HD ARG 95 4.207 -0.726 7.280 750 HE ARG 95 HE ARG 95 6.189 -0.752 6.118 751 HH11 ARG 95 1HH1 ARG 95 4.453 2.185 5.377 752 HH12 ARG 95 2HH1 ARG 95 5.791 2.913 4.552 753 HH21 ARG 95 1HH2 ARG 95 7.946 0.206 5.031 754 HH22 ARG 95 2HH2 ARG 95 7.773 1.791 4.354 755 H LEU 96 H LEU 96 4.252 -2.175 2.580 756 HA LEU 96 HA LEU 96 5.957 -4.333 3.322 757 HB2 LEU 96 2HB LEU 96 5.570 -5.760 1.637 758 HB3 LEU 96 1HB LEU 96 3.991 -5.019 1.606 759 HG LEU 96 HG LEU 96 5.024 -3.420 -0.153 760 HD11 LEU 96 1HD1 LEU 96 7.268 -3.787 -0.265 761 HD12 LEU 96 2HD1 LEU 96 6.738 -4.943 -1.489 762 HD13 LEU 96 3HD1 LEU 96 7.119 -5.498 0.141 763 HD21 LEU 96 3HD2 LEU 96 4.878 -5.903 -1.569 764 HD22 LEU 96 1HD2 LEU 96 3.715 -4.579 -1.509 765 HD23 LEU 96 2HD2 LEU 96 3.651 -5.863 -0.302 766 H GLY 97 H GLY 97 7.864 -3.402 3.268 767 HA2 GLY 97 2HA GLY 97 8.764 -1.989 0.912 768 HA3 GLY 97 1HA GLY 97 8.623 -0.993 2.348 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 19.958 4.420 -9.995 2 H2 GLY 1 2HT GLY 1 21.403 4.026 -10.778 3 H3 GLY 1 3HT GLY 1 19.925 3.776 -11.559 4 HA2 GLY 1 1HA GLY 1 21.440 5.887 -12.025 5 HA3 GLY 1 2HA GLY 1 19.688 5.914 -12.169 6 HA PRO 2 HA PRO 2 19.392 9.325 -9.401 7 HB2 PRO 2 2HB PRO 2 17.246 7.770 -8.037 8 HB3 PRO 2 1HB PRO 2 17.213 9.421 -8.666 9 HG2 PRO 2 2HG PRO 2 16.004 7.448 -9.982 10 HG3 PRO 2 1HG PRO 2 16.875 8.723 -10.853 11 HD2 PRO 2 2HD PRO 2 17.682 5.902 -10.315 12 HD3 PRO 2 1HD PRO 2 17.991 6.913 -11.740 13 H MET 3 H MET 3 20.724 9.753 -7.770 14 HA MET 3 HA MET 3 21.146 7.692 -5.710 15 HB2 MET 3 2HB MET 3 22.961 9.900 -6.686 16 HB3 MET 3 1HB MET 3 23.308 8.901 -5.282 17 HG2 MET 3 2HG MET 3 23.941 7.148 -6.522 18 HG3 MET 3 1HG MET 3 22.677 7.407 -7.723 19 HE1 MET 3 3HE MET 3 25.873 8.248 -6.245 20 HE2 MET 3 1HE MET 3 26.320 9.768 -7.022 21 HE3 MET 3 2HE MET 3 26.938 8.238 -7.650 22 H GLY 4 H GLY 4 20.482 8.100 -3.708 23 HA2 GLY 4 2HA GLY 4 20.251 9.426 -1.764 24 HA3 GLY 4 1HA GLY 4 20.336 10.867 -2.765 25 H SER 5 H SER 5 18.248 7.977 -2.779 26 HA SER 5 HA SER 5 15.930 9.667 -3.227 27 HB2 SER 5 2HB SER 5 14.870 7.199 -3.056 28 HB3 SER 5 1HB SER 5 15.613 7.819 -4.532 29 HG SER 5 HG SER 5 16.492 5.817 -4.085 30 H MET 6 H MET 6 14.252 9.977 -1.821 31 HA MET 6 HA MET 6 14.797 9.286 0.970 32 HB2 MET 6 2HB MET 6 14.271 11.662 0.193 33 HB3 MET 6 1HB MET 6 12.618 11.108 -0.038 34 HG2 MET 6 2HG MET 6 12.808 12.198 2.089 35 HG3 MET 6 1HG MET 6 12.523 10.476 2.337 36 HE1 MET 6 3HE MET 6 14.494 10.789 5.368 37 HE2 MET 6 1HE MET 6 12.957 11.227 4.624 38 HE3 MET 6 2HE MET 6 14.182 12.463 4.910 39 H ALA 7 H ALA 7 13.039 8.557 2.349 40 HA ALA 7 HA ALA 7 11.310 6.660 0.930 41 HB1 ALA 7 1HB ALA 7 11.499 5.267 2.697 42 HB2 ALA 7 2HB ALA 7 11.451 6.579 3.875 43 HB3 ALA 7 3HB ALA 7 12.949 6.220 3.016 44 H ASP 8 H ASP 8 10.703 9.529 1.101 45 HA ASP 8 HA ASP 8 8.788 10.132 3.033 46 HB2 ASP 8 2HB ASP 8 9.733 11.296 0.583 47 HB3 ASP 8 1HB ASP 8 7.977 11.403 0.638 48 H LYS 9 H LYS 9 8.594 8.044 0.291 49 HA LYS 9 HA LYS 9 5.729 8.026 0.150 50 HB2 LYS 9 2HB LYS 9 7.870 6.357 -1.141 51 HB3 LYS 9 1HB LYS 9 6.158 6.153 -1.442 52 HG2 LYS 9 2HG LYS 9 6.889 7.430 -3.211 53 HG3 LYS 9 1HG LYS 9 6.165 8.613 -2.129 54 HD2 LYS 9 2HD LYS 9 9.049 8.052 -1.769 55 HD3 LYS 9 1HD LYS 9 8.595 8.894 -3.251 56 HE2 LYS 9 2HE LYS 9 7.320 9.919 -0.821 57 HE3 LYS 9 1HE LYS 9 9.074 10.086 -0.857 58 HZ1 LYS 9 3HZ LYS 9 7.054 11.403 -2.476 59 HZ2 LYS 9 1HZ LYS 9 8.457 10.931 -3.297 60 HZ3 LYS 9 2HZ LYS 9 8.566 11.964 -1.963 61 H ILE 10 H ILE 10 4.606 5.912 0.181 62 HA ILE 10 HA ILE 10 5.489 4.342 2.505 63 HB ILE 10 HB ILE 10 2.691 3.993 1.706 64 HG12 ILE 10 2HG1 ILE 10 3.477 6.626 2.963 65 HG13 ILE 10 1HG1 ILE 10 3.046 6.437 1.267 66 HG21 ILE 10 1HG2 ILE 10 2.378 4.263 4.163 67 HG22 ILE 10 2HG2 ILE 10 4.112 4.555 4.300 68 HG23 ILE 10 3HG2 ILE 10 3.524 3.001 3.711 69 HD11 ILE 10 3HD1 ILE 10 0.829 5.753 1.849 70 HD12 ILE 10 1HD1 ILE 10 1.198 7.261 2.685 71 HD13 ILE 10 2HD1 ILE 10 1.244 5.731 3.562 72 H LYS 11 H LYS 11 5.605 2.199 2.315 73 HA LYS 11 HA LYS 11 5.254 1.126 -0.392 74 HB2 LYS 11 2HB LYS 11 6.970 -0.064 1.780 75 HB3 LYS 11 1HB LYS 11 7.030 -0.376 0.048 76 HG2 LYS 11 2HG LYS 11 8.395 1.342 -0.329 77 HG3 LYS 11 1HG LYS 11 7.445 2.453 0.675 78 HD2 LYS 11 2HD LYS 11 9.247 2.384 2.025 79 HD3 LYS 11 1HD LYS 11 8.577 0.842 2.559 80 HE2 LYS 11 2HE LYS 11 10.298 -0.287 1.711 81 HE3 LYS 11 1HE LYS 11 10.146 0.525 0.154 82 HZ1 LYS 11 3HZ LYS 11 11.724 2.028 0.682 83 HZ2 LYS 11 1HZ LYS 11 12.250 0.808 1.730 84 HZ3 LYS 11 2HZ LYS 11 11.307 2.083 2.321 85 H CYS 12 H CYS 12 3.229 0.394 -0.417 86 HA CYS 12 HA CYS 12 2.534 -1.716 1.506 87 HB2 CYS 12 2HB CYS 12 1.399 0.654 1.705 88 HB3 CYS 12 1HB CYS 12 0.423 0.080 0.360 89 HG CYS 12 HG CYS 12 -0.610 -1.685 1.891 90 H SER 13 H SER 13 0.368 -2.801 0.571 91 HA SER 13 HA SER 13 0.860 -3.402 -2.267 92 HB2 SER 13 2HB SER 13 1.545 -5.307 -0.925 93 HB3 SER 13 1HB SER 13 0.014 -5.287 -0.051 94 HG SER 13 HG SER 13 0.439 -5.896 -2.788 95 H HIS 14 H HIS 14 -1.111 -4.249 -3.410 96 HA HIS 14 HA HIS 14 -3.588 -3.185 -2.233 97 HB2 HIS 14 2HB HIS 14 -4.241 -2.207 -4.339 98 HB3 HIS 14 1HB HIS 14 -2.658 -1.588 -3.888 99 HD1 HIS 14 1HD HIS 14 -3.505 -1.404 -6.780 100 HD2 HIS 14 2HD HIS 14 -1.435 -4.655 -5.237 101 HE1 HIS 14 1HE HIS 14 -2.376 -2.479 -8.752 102 HE2 HIS 14 2HE HIS 14 -1.218 -4.505 -7.808 103 H ILE 15 H ILE 15 -5.424 -4.324 -2.552 104 HA ILE 15 HA ILE 15 -5.537 -6.466 -4.494 105 HB ILE 15 HB ILE 15 -5.635 -7.042 -1.530 106 HG12 ILE 15 2HG1 ILE 15 -3.980 -8.885 -2.488 107 HG13 ILE 15 1HG1 ILE 15 -3.744 -7.685 -3.750 108 HG21 ILE 15 1HG2 ILE 15 -7.135 -8.621 -1.977 109 HG22 ILE 15 2HG2 ILE 15 -5.884 -9.446 -2.908 110 HG23 ILE 15 3HG2 ILE 15 -7.002 -8.346 -3.713 111 HD11 ILE 15 3HD1 ILE 15 -2.155 -6.901 -2.393 112 HD12 ILE 15 1HD1 ILE 15 -2.823 -7.718 -0.980 113 HD13 ILE 15 2HD1 ILE 15 -3.495 -6.174 -1.504 114 H LEU 16 H LEU 16 -7.498 -6.307 -5.391 115 HA LEU 16 HA LEU 16 -9.727 -5.312 -3.738 116 HB2 LEU 16 2HB LEU 16 -8.987 -4.936 -6.580 117 HB3 LEU 16 1HB LEU 16 -10.694 -5.108 -6.239 118 HG LEU 16 HG LEU 16 -9.411 -3.204 -4.450 119 HD11 LEU 16 1HD1 LEU 16 -8.474 -3.145 -7.080 120 HD12 LEU 16 2HD1 LEU 16 -8.310 -1.889 -5.858 121 HD13 LEU 16 3HD1 LEU 16 -9.673 -1.859 -6.976 122 HD21 LEU 16 3HD2 LEU 16 -11.910 -3.696 -5.123 123 HD22 LEU 16 1HD2 LEU 16 -11.558 -2.523 -6.393 124 HD23 LEU 16 2HD2 LEU 16 -11.378 -2.068 -4.698 125 H VAL 17 H VAL 17 -11.628 -6.427 -3.629 126 HA VAL 17 HA VAL 17 -12.017 -8.773 -5.293 127 HB VAL 17 HB VAL 17 -12.217 -10.349 -3.531 128 HG11 VAL 17 1HG1 VAL 17 -9.974 -10.471 -2.710 129 HG12 VAL 17 2HG1 VAL 17 -9.758 -8.732 -2.871 130 HG13 VAL 17 3HG1 VAL 17 -9.907 -9.736 -4.309 131 HG21 VAL 17 3HG2 VAL 17 -11.543 -9.429 -1.135 132 HG22 VAL 17 1HG2 VAL 17 -13.212 -9.410 -1.703 133 HG23 VAL 17 2HG2 VAL 17 -12.237 -7.943 -1.786 134 H LYS 18 H LYS 18 -14.131 -9.133 -5.720 135 HA LYS 18 HA LYS 18 -16.025 -7.184 -4.880 136 HB2 LYS 18 2HB LYS 18 -16.041 -9.541 -6.686 137 HB3 LYS 18 1HB LYS 18 -17.596 -8.995 -6.076 138 HG2 LYS 18 2HG LYS 18 -17.632 -7.490 -7.697 139 HG3 LYS 18 1HG LYS 18 -16.275 -6.680 -6.912 140 HD2 LYS 18 2HD LYS 18 -15.209 -7.059 -8.854 141 HD3 LYS 18 1HD LYS 18 -15.008 -8.697 -8.228 142 HE2 LYS 18 2HE LYS 18 -17.533 -8.079 -9.653 143 HE3 LYS 18 1HE LYS 18 -16.064 -8.194 -10.622 144 HZ1 LYS 18 3HZ LYS 18 -17.490 -10.272 -9.149 145 HZ2 LYS 18 1HZ LYS 18 -15.801 -10.382 -9.182 146 HZ3 LYS 18 2HZ LYS 18 -16.677 -10.360 -10.629 147 H LYS 19 H LYS 19 -15.412 -10.538 -3.938 148 HA LYS 19 HA LYS 19 -17.791 -10.744 -2.372 149 HB2 LYS 19 2HB LYS 19 -17.079 -12.851 -2.928 150 HB3 LYS 19 1HB LYS 19 -15.382 -12.398 -2.908 151 HG2 LYS 19 2HG LYS 19 -15.263 -12.601 -0.584 152 HG3 LYS 19 1HG LYS 19 -17.010 -12.729 -0.412 153 HD2 LYS 19 2HD LYS 19 -17.000 -14.873 -1.521 154 HD3 LYS 19 1HD LYS 19 -15.276 -14.727 -1.864 155 HE2 LYS 19 2HE LYS 19 -14.962 -15.876 0.027 156 HE3 LYS 19 1HE LYS 19 -15.389 -14.383 0.860 157 HZ1 LYS 19 3HZ LYS 19 -16.634 -16.627 1.341 158 HZ2 LYS 19 1HZ LYS 19 -17.562 -16.148 0.010 159 HZ3 LYS 19 2HZ LYS 19 -17.454 -15.148 1.369 160 H GLN 20 H GLN 20 -17.601 -8.725 -1.316 161 HA GLN 20 HA GLN 20 -15.572 -7.725 0.157 162 HB2 GLN 20 2HB GLN 20 -18.365 -7.544 1.241 163 HB3 GLN 20 1HB GLN 20 -17.103 -6.320 1.241 164 HG2 GLN 20 2HG GLN 20 -18.144 -5.437 -0.505 165 HG3 GLN 20 1HG GLN 20 -17.522 -6.795 -1.439 166 HE21 GLN 20 1HE2 GLN 20 -19.160 -8.775 -0.136 167 HE22 GLN 20 2HE2 GLN 20 -20.775 -8.540 -0.701 168 H GLY 21 H GLY 21 -17.491 -10.478 1.093 169 HA2 GLY 21 2HA GLY 21 -16.874 -10.331 3.864 170 HA3 GLY 21 1HA GLY 21 -17.373 -11.782 3.003 171 H GLU 22 H GLU 22 -15.204 -11.562 1.069 172 HA GLU 22 HA GLU 22 -13.220 -13.007 2.511 173 HB2 GLU 22 2HB GLU 22 -12.162 -13.325 0.431 174 HB3 GLU 22 1HB GLU 22 -13.880 -13.333 0.093 175 HG2 GLU 22 2HG GLU 22 -13.681 -11.684 -1.346 176 HG3 GLU 22 1HG GLU 22 -12.799 -10.696 -0.188 177 H ALA 23 H ALA 23 -13.495 -9.760 1.223 178 HA ALA 23 HA ALA 23 -10.905 -8.840 1.507 179 HB1 ALA 23 1HB ALA 23 -13.553 -7.447 1.814 180 HB2 ALA 23 2HB ALA 23 -12.435 -7.396 0.450 181 HB3 ALA 23 3HB ALA 23 -12.022 -6.583 1.961 182 H LEU 24 H LEU 24 -13.418 -9.270 3.937 183 HA LEU 24 HA LEU 24 -11.948 -8.020 6.054 184 HB2 LEU 24 2HB LEU 24 -14.548 -8.696 5.731 185 HB3 LEU 24 1HB LEU 24 -14.007 -10.039 6.718 186 HG LEU 24 HG LEU 24 -14.969 -8.251 8.081 187 HD11 LEU 24 1HD1 LEU 24 -12.100 -8.047 8.760 188 HD12 LEU 24 2HD1 LEU 24 -12.779 -9.671 8.645 189 HD13 LEU 24 3HD1 LEU 24 -13.479 -8.500 9.762 190 HD21 LEU 24 3HD2 LEU 24 -14.651 -6.145 7.439 191 HD22 LEU 24 1HD2 LEU 24 -13.309 -6.597 6.388 192 HD23 LEU 24 2HD2 LEU 24 -13.018 -6.268 8.096 193 H ALA 25 H ALA 25 -12.157 -11.224 4.712 194 HA ALA 25 HA ALA 25 -10.813 -12.480 6.942 195 HB1 ALA 25 1HB ALA 25 -12.308 -13.921 5.902 196 HB2 ALA 25 2HB ALA 25 -10.753 -14.436 5.250 197 HB3 ALA 25 3HB ALA 25 -11.821 -13.419 4.282 198 H VAL 26 H VAL 26 -9.972 -11.484 3.647 199 HA VAL 26 HA VAL 26 -7.457 -12.599 3.432 200 HB VAL 26 HB VAL 26 -6.979 -11.135 1.694 201 HG11 VAL 26 1HG1 VAL 26 -9.791 -10.557 1.304 202 HG12 VAL 26 2HG1 VAL 26 -9.518 -12.212 1.848 203 HG13 VAL 26 3HG1 VAL 26 -8.713 -11.618 0.396 204 HG21 VAL 26 3HG2 VAL 26 -8.610 -9.119 3.199 205 HG22 VAL 26 1HG2 VAL 26 -8.236 -8.900 1.490 206 HG23 VAL 26 2HG2 VAL 26 -6.930 -9.018 2.672 207 H GLN 27 H GLN 27 -8.428 -9.648 5.111 208 HA GLN 27 HA GLN 27 -5.855 -8.667 5.614 209 HB2 GLN 27 2HB GLN 27 -6.834 -7.186 7.141 210 HB3 GLN 27 1HB GLN 27 -8.131 -7.521 6.006 211 HG2 GLN 27 2HG GLN 27 -9.357 -8.684 7.534 212 HG3 GLN 27 1HG GLN 27 -7.956 -9.152 8.486 213 HE21 GLN 27 1HE2 GLN 27 -8.972 -5.967 7.357 214 HE22 GLN 27 2HE2 GLN 27 -9.133 -5.265 8.928 215 H GLU 28 H GLU 28 -7.915 -10.825 7.524 216 HA GLU 28 HA GLU 28 -5.930 -11.302 9.526 217 HB2 GLU 28 2HB GLU 28 -7.484 -12.813 10.485 218 HB3 GLU 28 1HB GLU 28 -8.446 -11.505 9.812 219 HG2 GLU 28 2HG GLU 28 -9.469 -12.839 8.334 220 HG3 GLU 28 1HG GLU 28 -8.020 -13.784 8.010 221 H ARG 29 H ARG 29 -6.799 -12.712 6.489 222 HA ARG 29 HA ARG 29 -5.380 -15.176 6.845 223 HB2 ARG 29 2HB ARG 29 -7.403 -14.550 5.291 224 HB3 ARG 29 1HB ARG 29 -6.138 -14.073 4.169 225 HG2 ARG 29 2HG ARG 29 -6.837 -16.301 3.675 226 HG3 ARG 29 1HG ARG 29 -5.194 -16.349 4.323 227 HD2 ARG 29 2HD ARG 29 -6.147 -16.920 6.545 228 HD3 ARG 29 1HD ARG 29 -7.744 -16.988 5.804 229 HE ARG 29 HE ARG 29 -5.663 -18.964 5.630 230 HH11 ARG 29 1HH1 ARG 29 -8.534 -17.690 4.113 231 HH12 ARG 29 2HH1 ARG 29 -8.895 -19.160 3.274 232 HH21 ARG 29 1HH2 ARG 29 -6.136 -20.899 4.527 233 HH22 ARG 29 2HH2 ARG 29 -7.534 -20.983 3.509 234 H LEU 30 H LEU 30 -4.665 -12.040 5.461 235 HA LEU 30 HA LEU 30 -2.492 -12.624 3.866 236 HB2 LEU 30 2HB LEU 30 -3.715 -10.399 4.310 237 HB3 LEU 30 1HB LEU 30 -2.569 -10.185 5.616 238 HG LEU 30 HG LEU 30 -1.821 -8.983 3.660 239 HD11 LEU 30 1HD1 LEU 30 -0.212 -10.274 5.175 240 HD12 LEU 30 2HD1 LEU 30 0.395 -9.708 3.618 241 HD13 LEU 30 3HD1 LEU 30 -0.057 -11.401 3.826 242 HD21 LEU 30 3HD2 LEU 30 -1.924 -9.748 1.561 243 HD22 LEU 30 1HD2 LEU 30 -2.966 -11.010 2.215 244 HD23 LEU 30 2HD2 LEU 30 -1.242 -11.314 1.999 245 H LYS 31 H LYS 31 -2.315 -11.571 7.279 246 HA LYS 31 HA LYS 31 0.452 -12.239 7.494 247 HB2 LYS 31 2HB LYS 31 0.097 -11.834 9.933 248 HB3 LYS 31 1HB LYS 31 -0.401 -10.504 8.900 249 HG2 LYS 31 2HG LYS 31 -2.597 -12.304 9.354 250 HG3 LYS 31 1HG LYS 31 -1.898 -11.765 10.882 251 HD2 LYS 31 2HD LYS 31 -2.141 -9.574 9.011 252 HD3 LYS 31 1HD LYS 31 -3.692 -10.371 9.265 253 HE2 LYS 31 2HE LYS 31 -2.282 -10.020 11.760 254 HE3 LYS 31 1HE LYS 31 -2.473 -8.484 10.917 255 HZ1 LYS 31 3HZ LYS 31 -4.828 -10.180 11.009 256 HZ2 LYS 31 1HZ LYS 31 -4.692 -8.505 11.199 257 HZ3 LYS 31 2HZ LYS 31 -4.335 -9.536 12.492 258 H ALA 32 H ALA 32 -2.314 -14.141 7.468 259 HA ALA 32 HA ALA 32 -1.833 -16.032 9.453 260 HB1 ALA 32 1HB ALA 32 -3.354 -17.445 8.304 261 HB2 ALA 32 2HB ALA 32 -3.041 -16.642 6.765 262 HB3 ALA 32 3HB ALA 32 -3.906 -15.790 8.045 263 H GLY 33 H GLY 33 -0.264 -15.519 6.416 264 HA2 GLY 33 2HA GLY 33 2.024 -16.822 6.774 265 HA3 GLY 33 1HA GLY 33 0.940 -18.145 6.388 266 H GLU 34 H GLU 34 -0.548 -16.059 4.635 267 HA GLU 34 HA GLU 34 0.972 -16.691 2.243 268 HB2 GLU 34 2HB GLU 34 -0.995 -15.687 1.062 269 HB3 GLU 34 1HB GLU 34 -1.388 -17.056 2.093 270 HG2 GLU 34 2HG GLU 34 -2.389 -15.702 3.708 271 HG3 GLU 34 1HG GLU 34 -1.652 -14.236 3.065 272 H LYS 35 H LYS 35 1.533 -15.099 0.656 273 HA LYS 35 HA LYS 35 2.308 -12.556 1.893 274 HB2 LYS 35 2HB LYS 35 3.864 -14.289 0.572 275 HB3 LYS 35 1HB LYS 35 3.320 -13.323 -0.793 276 HG2 LYS 35 2HG LYS 35 4.585 -11.571 -0.216 277 HG3 LYS 35 1HG LYS 35 4.222 -11.748 1.501 278 HD2 LYS 35 2HD LYS 35 6.108 -13.567 0.015 279 HD3 LYS 35 1HD LYS 35 6.633 -12.105 0.851 280 HE2 LYS 35 2HE LYS 35 5.328 -14.542 2.049 281 HE3 LYS 35 1HE LYS 35 6.968 -13.957 2.325 282 HZ1 LYS 35 3HZ LYS 35 4.454 -13.039 3.461 283 HZ2 LYS 35 1HZ LYS 35 5.573 -11.830 3.073 284 HZ3 LYS 35 2HZ LYS 35 6.004 -13.071 4.141 285 H PHE 36 H PHE 36 1.896 -10.589 0.943 286 HA PHE 36 HA PHE 36 -0.551 -10.117 -0.188 287 HB2 PHE 36 2HB PHE 36 0.618 -7.977 -1.119 288 HB3 PHE 36 1HB PHE 36 0.504 -8.210 0.621 289 HD1 PHE 36 1HD PHE 36 2.781 -8.654 -2.274 290 HD2 PHE 36 2HD PHE 36 2.420 -8.216 1.942 291 HE1 PHE 36 1HE PHE 36 5.226 -8.441 -2.092 292 HE2 PHE 36 2HE PHE 36 4.863 -7.999 2.133 293 HZ PHE 36 HZ PHE 36 6.270 -8.111 0.113 294 H GLY 37 H GLY 37 2.410 -11.064 -1.770 295 HA2 GLY 37 2HA GLY 37 1.735 -10.422 -4.424 296 HA3 GLY 37 1HA GLY 37 2.876 -11.663 -3.931 297 H LYS 38 H LYS 38 0.953 -13.183 -2.412 298 HA LYS 38 HA LYS 38 -0.020 -14.849 -4.476 299 HB2 LYS 38 2HB LYS 38 0.268 -14.973 -1.649 300 HB3 LYS 38 1HB LYS 38 -1.400 -15.375 -2.028 301 HG2 LYS 38 2HG LYS 38 -0.702 -17.438 -2.429 302 HG3 LYS 38 1HG LYS 38 0.073 -16.808 -3.883 303 HD2 LYS 38 2HD LYS 38 1.389 -16.874 -1.172 304 HD3 LYS 38 1HD LYS 38 1.577 -18.141 -2.385 305 HE2 LYS 38 2HE LYS 38 2.058 -15.535 -3.525 306 HE3 LYS 38 1HE LYS 38 3.091 -15.810 -2.124 307 HZ1 LYS 38 3HZ LYS 38 3.415 -18.116 -3.330 308 HZ2 LYS 38 1HZ LYS 38 4.358 -16.767 -3.722 309 HZ3 LYS 38 2HZ LYS 38 3.043 -17.192 -4.696 310 H LEU 39 H LEU 39 -1.730 -12.794 -2.124 311 HA LEU 39 HA LEU 39 -4.322 -13.208 -2.986 312 HB2 LEU 39 2HB LEU 39 -3.067 -10.717 -1.855 313 HB3 LEU 39 1HB LEU 39 -4.787 -10.909 -2.091 314 HG LEU 39 HG LEU 39 -4.380 -11.321 0.202 315 HD11 LEU 39 1HD1 LEU 39 -5.044 -13.658 0.484 316 HD12 LEU 39 2HD1 LEU 39 -4.645 -13.970 -1.205 317 HD13 LEU 39 3HD1 LEU 39 -5.955 -12.859 -0.797 318 HD21 LEU 39 3HD2 LEU 39 -2.387 -13.472 -0.418 319 HD22 LEU 39 1HD2 LEU 39 -2.696 -12.649 1.111 320 HD23 LEU 39 2HD2 LEU 39 -1.893 -11.792 -0.206 321 H ALA 40 H ALA 40 -1.863 -11.053 -4.296 322 HA ALA 40 HA ALA 40 -3.387 -9.433 -5.935 323 HB1 ALA 40 1HB ALA 40 -0.683 -9.914 -5.571 324 HB2 ALA 40 2HB ALA 40 -1.401 -8.704 -6.635 325 HB3 ALA 40 3HB ALA 40 -0.961 -10.288 -7.273 326 H LYS 41 H LYS 41 -1.925 -12.556 -6.774 327 HA LYS 41 HA LYS 41 -3.440 -12.677 -9.239 328 HB2 LYS 41 2HB LYS 41 -2.222 -14.724 -9.677 329 HB3 LYS 41 1HB LYS 41 -1.101 -13.480 -9.146 330 HG2 LYS 41 2HG LYS 41 -0.727 -14.499 -7.105 331 HG3 LYS 41 1HG LYS 41 -2.232 -15.419 -7.175 332 HD2 LYS 41 2HD LYS 41 -0.499 -16.976 -7.567 333 HD3 LYS 41 1HD LYS 41 -1.228 -16.654 -9.143 334 HE2 LYS 41 2HE LYS 41 1.105 -15.020 -8.265 335 HE3 LYS 41 1HE LYS 41 1.383 -16.665 -8.831 336 HZ1 LYS 41 3HZ LYS 41 1.578 -15.344 -10.721 337 HZ2 LYS 41 1HZ LYS 41 0.247 -14.379 -10.320 338 HZ3 LYS 41 2HZ LYS 41 0.011 -15.971 -10.839 339 H GLU 42 H GLU 42 -3.680 -13.818 -5.988 340 HA GLU 42 HA GLU 42 -5.369 -16.043 -6.513 341 HB2 GLU 42 2HB GLU 42 -4.128 -14.823 -4.231 342 HB3 GLU 42 1HB GLU 42 -5.798 -15.194 -3.871 343 HG2 GLU 42 2HG GLU 42 -5.236 -17.510 -4.900 344 HG3 GLU 42 1HG GLU 42 -3.569 -17.035 -4.574 345 H LEU 43 H LEU 43 -6.270 -13.025 -4.736 346 HA LEU 43 HA LEU 43 -8.926 -13.373 -5.954 347 HB2 LEU 43 2HB LEU 43 -9.672 -12.029 -3.821 348 HB3 LEU 43 1HB LEU 43 -9.520 -13.771 -3.825 349 HG LEU 43 HG LEU 43 -8.616 -12.563 -1.803 350 HD11 LEU 43 1HD1 LEU 43 -7.632 -14.793 -3.231 351 HD12 LEU 43 2HD1 LEU 43 -7.564 -14.477 -1.498 352 HD13 LEU 43 3HD1 LEU 43 -6.250 -13.940 -2.544 353 HD21 LEU 43 3HD2 LEU 43 -6.062 -12.034 -3.110 354 HD22 LEU 43 1HD2 LEU 43 -6.949 -11.087 -1.918 355 HD23 LEU 43 2HD2 LEU 43 -7.361 -10.961 -3.626 356 H SER 44 H SER 44 -6.322 -11.162 -5.724 357 HA SER 44 HA SER 44 -7.774 -8.733 -5.788 358 HB2 SER 44 2HB SER 44 -5.211 -9.128 -5.582 359 HB3 SER 44 1HB SER 44 -5.237 -9.071 -7.332 360 HG SER 44 HG SER 44 -5.875 -6.999 -7.283 361 H ILE 45 H ILE 45 -9.035 -7.885 -7.286 362 HA ILE 45 HA ILE 45 -9.048 -9.149 -9.927 363 HB ILE 45 HB ILE 45 -11.349 -8.155 -10.105 364 HG12 ILE 45 2HG1 ILE 45 -11.377 -7.827 -7.148 365 HG13 ILE 45 1HG1 ILE 45 -10.619 -6.545 -8.086 366 HG21 ILE 45 1HG2 ILE 45 -10.641 -10.501 -9.186 367 HG22 ILE 45 2HG2 ILE 45 -12.317 -9.962 -9.062 368 HG23 ILE 45 3HG2 ILE 45 -11.250 -9.857 -7.662 369 HD11 ILE 45 3HD1 ILE 45 -12.965 -6.932 -9.424 370 HD12 ILE 45 1HD1 ILE 45 -12.665 -5.692 -8.207 371 HD13 ILE 45 2HD1 ILE 45 -13.429 -7.215 -7.745 372 H ASP 46 H ASP 46 -8.676 -6.036 -8.357 373 HA ASP 46 HA ASP 46 -8.372 -4.845 -11.036 374 HB2 ASP 46 2HB ASP 46 -10.468 -4.099 -10.015 375 HB3 ASP 46 1HB ASP 46 -9.584 -3.510 -8.612 376 H GLY 47 H GLY 47 -6.213 -4.663 -11.253 377 HA2 GLY 47 2HA GLY 47 -4.867 -2.573 -10.002 378 HA3 GLY 47 1HA GLY 47 -4.428 -4.041 -9.143 379 H GLY 48 H GLY 48 -2.901 -2.145 -10.906 380 HA2 GLY 48 2HA GLY 48 -2.187 -3.744 -13.212 381 HA3 GLY 48 1HA GLY 48 -1.432 -2.235 -12.710 382 H SER 49 H SER 49 -0.956 -3.040 -10.021 383 HA SER 49 HA SER 49 1.519 -4.428 -10.406 384 HB2 SER 49 2HB SER 49 0.525 -2.622 -8.526 385 HB3 SER 49 1HB SER 49 0.721 -4.126 -7.626 386 HG SER 49 HG SER 49 2.598 -2.548 -7.945 387 H ALA 50 H ALA 50 -1.561 -5.593 -10.254 388 HA ALA 50 HA ALA 50 -1.373 -7.685 -8.370 389 HB1 ALA 50 1HB ALA 50 -2.967 -8.524 -10.580 390 HB2 ALA 50 2HB ALA 50 -3.262 -6.809 -10.296 391 HB3 ALA 50 3HB ALA 50 -3.491 -7.970 -8.989 392 H LYS 51 H LYS 51 -0.029 -7.179 -11.477 393 HA LYS 51 HA LYS 51 0.670 -9.964 -11.900 394 HB2 LYS 51 2HB LYS 51 0.550 -7.516 -13.483 395 HB3 LYS 51 1HB LYS 51 2.018 -8.434 -13.774 396 HG2 LYS 51 2HG LYS 51 0.925 -10.100 -14.825 397 HG3 LYS 51 1HG LYS 51 -0.468 -10.000 -13.746 398 HD2 LYS 51 2HD LYS 51 -1.010 -9.367 -16.073 399 HD3 LYS 51 1HD LYS 51 -1.295 -8.059 -14.922 400 HE2 LYS 51 2HE LYS 51 0.680 -6.925 -15.590 401 HE3 LYS 51 1HE LYS 51 1.246 -8.316 -16.515 402 HZ1 LYS 51 3HZ LYS 51 -0.922 -6.424 -17.171 403 HZ2 LYS 51 1HZ LYS 51 -0.879 -7.965 -17.870 404 HZ3 LYS 51 2HZ LYS 51 0.404 -6.889 -18.115 405 H ARG 52 H ARG 52 1.813 -7.438 -10.108 406 HA ARG 52 HA ARG 52 4.590 -8.392 -10.206 407 HB2 ARG 52 2HB ARG 52 3.502 -5.633 -9.636 408 HB3 ARG 52 1HB ARG 52 5.166 -6.098 -9.324 409 HG2 ARG 52 2HG ARG 52 4.657 -6.859 -11.967 410 HG3 ARG 52 1HG ARG 52 3.936 -5.261 -11.776 411 HD2 ARG 52 2HD ARG 52 5.950 -4.252 -11.342 412 HD3 ARG 52 1HD ARG 52 6.673 -5.727 -10.703 413 HE ARG 52 HE ARG 52 6.218 -6.190 -13.386 414 HH11 ARG 52 1HH1 ARG 52 8.089 -3.954 -11.469 415 HH12 ARG 52 2HH1 ARG 52 9.320 -3.758 -12.670 416 HH21 ARG 52 1HH2 ARG 52 7.836 -5.933 -14.969 417 HH22 ARG 52 2HH2 ARG 52 9.176 -4.880 -14.658 418 H ASP 53 H ASP 53 2.252 -9.310 -8.587 419 HA ASP 53 HA ASP 53 1.982 -10.203 -6.522 420 HB2 ASP 53 2HB ASP 53 3.776 -10.543 -5.159 421 HB3 ASP 53 1HB ASP 53 4.640 -10.061 -6.608 422 H GLY 54 H GLY 54 1.333 -7.335 -7.400 423 HA2 GLY 54 2HA GLY 54 0.059 -5.643 -6.525 424 HA3 GLY 54 1HA GLY 54 -0.160 -6.650 -5.103 425 H SER 55 H SER 55 3.095 -5.994 -5.942 426 HA SER 55 HA SER 55 3.545 -4.604 -3.500 427 HB2 SER 55 2HB SER 55 5.262 -5.306 -5.865 428 HB3 SER 55 1HB SER 55 5.869 -4.232 -4.606 429 HG SER 55 HG SER 55 6.321 -6.521 -4.305 430 H LEU 56 H LEU 56 2.195 -2.762 -3.613 431 HA LEU 56 HA LEU 56 2.127 -0.878 -5.653 432 HB2 LEU 56 2HB LEU 56 1.776 -0.544 -2.680 433 HB3 LEU 56 1HB LEU 56 1.486 0.745 -3.814 434 HG LEU 56 HG LEU 56 -0.040 -1.830 -3.523 435 HD11 LEU 56 1HD1 LEU 56 -0.465 0.992 -2.842 436 HD12 LEU 56 2HD1 LEU 56 -1.163 -0.467 -2.139 437 HD13 LEU 56 3HD1 LEU 56 -1.832 0.201 -3.628 438 HD21 LEU 56 3HD2 LEU 56 -1.403 -0.581 -5.444 439 HD22 LEU 56 1HD2 LEU 56 -0.134 -1.757 -5.789 440 HD23 LEU 56 2HD2 LEU 56 0.221 -0.031 -5.862 441 H GLY 57 H GLY 57 4.486 -1.396 -3.137 442 HA2 GLY 57 2HA GLY 57 6.625 -0.581 -2.914 443 HA3 GLY 57 1HA GLY 57 6.449 0.140 -4.505 444 H TYR 58 H TYR 58 7.791 1.801 -3.304 445 HA TYR 58 HA TYR 58 6.569 3.403 -1.312 446 HB2 TYR 58 2HB TYR 58 8.488 4.915 -2.863 447 HB3 TYR 58 1HB TYR 58 8.559 4.422 -1.182 448 HD1 TYR 58 1HD TYR 58 9.382 3.410 -4.640 449 HD2 TYR 58 2HD TYR 58 9.929 2.593 -0.500 450 HE1 TYR 58 1HE TYR 58 11.207 1.857 -5.192 451 HE2 TYR 58 2HE TYR 58 11.753 1.036 -1.043 452 HH TYR 58 HH TYR 58 13.446 0.851 -3.164 453 H PHE 59 H PHE 59 4.810 4.556 -1.590 454 HA PHE 59 HA PHE 59 4.581 6.186 -4.030 455 HB2 PHE 59 2HB PHE 59 2.463 4.607 -2.604 456 HB3 PHE 59 1HB PHE 59 2.042 6.042 -3.525 457 HD1 PHE 59 1HD PHE 59 3.951 5.767 -5.799 458 HD2 PHE 59 2HD PHE 59 1.487 2.896 -3.850 459 HE1 PHE 59 1HE PHE 59 3.886 4.428 -7.860 460 HE2 PHE 59 2HE PHE 59 1.418 1.553 -5.909 461 HZ PHE 59 HZ PHE 59 2.620 2.318 -7.918 462 H GLY 60 H GLY 60 3.358 8.186 -3.711 463 HA2 GLY 60 2HA GLY 60 3.675 9.162 -0.942 464 HA3 GLY 60 1HA GLY 60 3.910 10.164 -2.363 465 H ARG 61 H ARG 61 2.329 11.445 -0.906 466 HA ARG 61 HA ARG 61 -0.420 10.560 -1.098 467 HB2 ARG 61 2HB ARG 61 -0.944 12.559 0.212 468 HB3 ARG 61 1HB ARG 61 0.337 11.627 0.975 469 HG2 ARG 61 2HG ARG 61 1.921 13.249 -0.279 470 HG3 ARG 61 1HG ARG 61 0.488 14.268 -0.409 471 HD2 ARG 61 2HD ARG 61 1.542 14.988 1.553 472 HD3 ARG 61 1HD ARG 61 0.240 13.938 2.110 473 HE ARG 61 HE ARG 61 2.758 12.590 1.766 474 HH11 ARG 61 1HH1 ARG 61 0.773 14.441 3.960 475 HH12 ARG 61 2HH1 ARG 61 1.546 13.823 5.381 476 HH21 ARG 61 1HH2 ARG 61 3.777 11.775 3.633 477 HH22 ARG 61 2HH2 ARG 61 3.253 12.311 5.194 478 H GLY 62 H GLY 62 -1.029 10.664 -3.199 479 HA2 GLY 62 2HA GLY 62 -2.188 12.710 -4.360 480 HA3 GLY 62 1HA GLY 62 -0.518 13.124 -4.687 481 H LYS 63 H LYS 63 -1.887 9.861 -4.675 482 HA LYS 63 HA LYS 63 -1.770 9.785 -7.591 483 HB2 LYS 63 2HB LYS 63 0.459 9.066 -6.582 484 HB3 LYS 63 1HB LYS 63 -0.394 7.659 -5.959 485 HG2 LYS 63 2HG LYS 63 0.375 6.774 -7.895 486 HG3 LYS 63 1HG LYS 63 -1.136 7.460 -8.497 487 HD2 LYS 63 2HD LYS 63 0.162 9.530 -9.091 488 HD3 LYS 63 1HD LYS 63 1.632 8.633 -8.704 489 HE2 LYS 63 2HE LYS 63 -0.179 7.214 -10.508 490 HE3 LYS 63 1HE LYS 63 0.426 8.735 -11.163 491 HZ1 LYS 63 3HZ LYS 63 2.416 7.052 -9.895 492 HZ2 LYS 63 1HZ LYS 63 2.501 7.933 -11.337 493 HZ3 LYS 63 2HZ LYS 63 1.743 6.422 -11.313 494 H MET 64 H MET 64 -2.440 7.919 -4.635 495 HA MET 64 HA MET 64 -4.410 6.323 -6.067 496 HB2 MET 64 2HB MET 64 -4.649 5.223 -3.755 497 HB3 MET 64 1HB MET 64 -3.147 4.977 -4.634 498 HG2 MET 64 2HG MET 64 -3.125 7.305 -2.870 499 HG3 MET 64 1HG MET 64 -3.350 5.767 -2.037 500 HE1 MET 64 3HE MET 64 0.094 4.639 -1.530 501 HE2 MET 64 1HE MET 64 -1.613 4.207 -1.452 502 HE3 MET 64 2HE MET 64 -1.046 5.697 -0.699 503 H VAL 65 H VAL 65 -6.535 5.916 -4.949 504 HA VAL 65 HA VAL 65 -8.050 8.236 -4.845 505 HB VAL 65 HB VAL 65 -9.848 6.877 -3.871 506 HG11 VAL 65 1HG1 VAL 65 -9.875 6.573 -6.133 507 HG12 VAL 65 2HG1 VAL 65 -9.584 4.911 -5.616 508 HG13 VAL 65 3HG1 VAL 65 -8.242 5.910 -6.177 509 HG21 VAL 65 3HG2 VAL 65 -8.313 4.382 -3.876 510 HG22 VAL 65 1HG2 VAL 65 -9.533 4.962 -2.742 511 HG23 VAL 65 2HG2 VAL 65 -7.866 5.513 -2.601 512 H LYS 66 H LYS 66 -9.383 8.994 -2.970 513 HA LYS 66 HA LYS 66 -7.702 9.956 -0.936 514 HB2 LYS 66 2HB LYS 66 -9.956 10.869 -1.894 515 HB3 LYS 66 1HB LYS 66 -10.676 9.902 -0.614 516 HG2 LYS 66 2HG LYS 66 -9.452 11.126 1.061 517 HG3 LYS 66 1HG LYS 66 -8.587 12.026 -0.185 518 HD2 LYS 66 2HD LYS 66 -11.154 12.517 -0.895 519 HD3 LYS 66 1HD LYS 66 -11.316 12.380 0.857 520 HE2 LYS 66 2HE LYS 66 -9.292 14.141 -0.514 521 HE3 LYS 66 1HE LYS 66 -10.877 14.697 0.019 522 HZ1 LYS 66 3HZ LYS 66 -9.247 15.218 1.677 523 HZ2 LYS 66 1HZ LYS 66 -8.717 13.611 1.741 524 HZ3 LYS 66 2HZ LYS 66 -10.267 14.015 2.287 525 HA PRO 67 HA PRO 67 -10.010 6.899 2.036 526 HB2 PRO 67 2HB PRO 67 -10.869 4.590 0.787 527 HB3 PRO 67 1HB PRO 67 -11.910 5.919 1.268 528 HG2 PRO 67 2HG PRO 67 -10.886 5.181 -1.400 529 HG3 PRO 67 1HG PRO 67 -12.370 6.038 -0.962 530 HD2 PRO 67 2HD PRO 67 -10.128 7.224 -2.020 531 HD3 PRO 67 1HD PRO 67 -11.355 8.070 -1.074 532 H PHE 68 H PHE 68 -8.444 5.532 -0.808 533 HA PHE 68 HA PHE 68 -7.063 3.486 0.651 534 HB2 PHE 68 2HB PHE 68 -7.688 3.506 -1.846 535 HB3 PHE 68 1HB PHE 68 -6.269 4.523 -2.064 536 HD1 PHE 68 1HD PHE 68 -7.425 1.191 -0.988 537 HD2 PHE 68 2HD PHE 68 -4.098 3.605 -2.088 538 HE1 PHE 68 1HE PHE 68 -6.020 -0.824 -1.142 539 HE2 PHE 68 2HE PHE 68 -2.688 1.596 -2.248 540 HZ PHE 68 HZ PHE 68 -3.648 -0.622 -1.774 541 H GLU 69 H GLU 69 -6.019 6.516 -0.918 542 HA GLU 69 HA GLU 69 -3.350 6.440 -0.117 543 HB2 GLU 69 2HB GLU 69 -4.567 8.037 -1.753 544 HB3 GLU 69 1HB GLU 69 -4.892 9.013 -0.328 545 HG2 GLU 69 2HG GLU 69 -2.141 8.355 -0.303 546 HG3 GLU 69 1HG GLU 69 -2.549 8.904 -1.929 547 H ASP 70 H ASP 70 -6.223 7.489 1.586 548 HA ASP 70 HA ASP 70 -4.894 8.790 3.727 549 HB2 ASP 70 2HB ASP 70 -7.296 9.126 3.118 550 HB3 ASP 70 1HB ASP 70 -7.638 7.519 3.753 551 H ALA 71 H ALA 71 -6.275 5.533 3.374 552 HA ALA 71 HA ALA 71 -5.431 4.701 5.980 553 HB1 ALA 71 1HB ALA 71 -6.481 3.152 3.621 554 HB2 ALA 71 2HB ALA 71 -7.379 3.684 5.044 555 HB3 ALA 71 3HB ALA 71 -6.135 2.442 5.200 556 H ALA 72 H ALA 72 -3.773 5.134 3.092 557 HA ALA 72 HA ALA 72 -2.017 2.920 3.109 558 HB1 ALA 72 1HB ALA 72 -1.148 5.577 2.070 559 HB2 ALA 72 2HB ALA 72 -2.479 4.729 1.284 560 HB3 ALA 72 3HB ALA 72 -0.895 3.965 1.398 561 H PHE 73 H PHE 73 -1.636 6.221 4.387 562 HA PHE 73 HA PHE 73 0.851 5.445 5.694 563 HB2 PHE 73 2HB PHE 73 0.860 7.903 6.373 564 HB3 PHE 73 1HB PHE 73 1.006 7.561 4.653 565 HD1 PHE 73 1HD PHE 73 -1.666 8.178 7.184 566 HD2 PHE 73 2HD PHE 73 -0.257 8.820 3.221 567 HE1 PHE 73 1HE PHE 73 -3.605 9.624 6.733 568 HE2 PHE 73 2HE PHE 73 -2.192 10.271 2.764 569 HZ PHE 73 HZ PHE 73 -3.870 10.671 4.520 570 H ARG 74 H ARG 74 -2.024 4.647 6.531 571 HA ARG 74 HA ARG 74 -2.074 5.775 9.224 572 HB2 ARG 74 2HB ARG 74 -4.062 4.911 7.409 573 HB3 ARG 74 1HB ARG 74 -4.120 3.806 8.776 574 HG2 ARG 74 2HG ARG 74 -4.475 5.610 10.305 575 HG3 ARG 74 1HG ARG 74 -4.201 6.803 9.033 576 HD2 ARG 74 2HD ARG 74 -6.272 6.544 8.163 577 HD3 ARG 74 1HD ARG 74 -6.313 4.814 8.502 578 HE ARG 74 HE ARG 74 -6.464 6.221 10.925 579 HH11 ARG 74 1HH1 ARG 74 -8.373 5.606 8.071 580 HH12 ARG 74 2HH1 ARG 74 -9.888 5.779 8.893 581 HH21 ARG 74 1HH2 ARG 74 -8.455 6.450 12.009 582 HH22 ARG 74 2HH2 ARG 74 -9.935 6.261 11.130 583 H LEU 75 H LEU 75 -1.375 2.816 7.527 584 HA LEU 75 HA LEU 75 -1.030 1.401 10.073 585 HB2 LEU 75 2HB LEU 75 -1.308 0.447 7.241 586 HB3 LEU 75 1HB LEU 75 -0.776 -0.613 8.524 587 HG LEU 75 HG LEU 75 -3.478 0.491 7.981 588 HD11 LEU 75 1HD1 LEU 75 -2.239 -2.097 8.814 589 HD12 LEU 75 2HD1 LEU 75 -3.214 -1.733 7.388 590 HD13 LEU 75 3HD1 LEU 75 -3.973 -1.819 8.978 591 HD21 LEU 75 3HD2 LEU 75 -2.996 1.393 10.210 592 HD22 LEU 75 1HD2 LEU 75 -2.529 -0.218 10.758 593 HD23 LEU 75 2HD2 LEU 75 -4.196 0.103 10.282 594 H GLN 76 H GLN 76 0.898 2.923 10.218 595 HA GLN 76 HA GLN 76 3.197 2.385 8.629 596 HB2 GLN 76 2HB GLN 76 2.699 3.836 11.206 597 HB3 GLN 76 1HB GLN 76 4.347 3.506 10.691 598 HG2 GLN 76 2HG GLN 76 3.359 4.560 8.428 599 HG3 GLN 76 1HG GLN 76 2.366 5.399 9.618 600 HE21 GLN 76 1HE2 GLN 76 3.157 7.326 10.025 601 HE22 GLN 76 2HE2 GLN 76 4.828 7.731 10.200 602 H VAL 77 H VAL 77 1.688 0.830 11.266 603 HA VAL 77 HA VAL 77 3.891 -0.463 12.464 604 HB VAL 77 HB VAL 77 1.846 -0.445 13.677 605 HG11 VAL 77 1HG1 VAL 77 0.044 -0.225 12.335 606 HG12 VAL 77 2HG1 VAL 77 -0.059 -1.972 12.558 607 HG13 VAL 77 3HG1 VAL 77 0.690 -1.310 11.104 608 HG21 VAL 77 3HG2 VAL 77 1.592 -3.276 12.965 609 HG22 VAL 77 1HG2 VAL 77 1.995 -2.525 14.510 610 HG23 VAL 77 2HG2 VAL 77 3.249 -2.762 13.293 611 H GLY 78 H GLY 78 2.081 -1.056 9.558 612 HA2 GLY 78 2HA GLY 78 2.889 -2.389 7.777 613 HA3 GLY 78 1HA GLY 78 3.882 -3.259 8.925 614 H GLU 79 H GLU 79 0.441 -2.571 8.557 615 HA GLU 79 HA GLU 79 -0.075 -5.458 8.659 616 HB2 GLU 79 2HB GLU 79 -0.266 -4.146 10.895 617 HB3 GLU 79 1HB GLU 79 -1.763 -3.553 10.221 618 HG2 GLU 79 2HG GLU 79 -1.593 -6.404 9.948 619 HG3 GLU 79 1HG GLU 79 -1.330 -5.923 11.623 620 H VAL 80 H VAL 80 -2.573 -5.782 8.341 621 HA VAL 80 HA VAL 80 -3.199 -4.429 5.882 622 HB VAL 80 HB VAL 80 -4.791 -6.521 7.378 623 HG11 VAL 80 1HG1 VAL 80 -5.182 -5.218 4.699 624 HG12 VAL 80 2HG1 VAL 80 -6.336 -5.386 6.023 625 HG13 VAL 80 3HG1 VAL 80 -5.866 -6.799 5.078 626 HG21 VAL 80 3HG2 VAL 80 -3.936 -8.107 5.769 627 HG22 VAL 80 1HG2 VAL 80 -2.583 -7.294 6.557 628 HG23 VAL 80 2HG2 VAL 80 -3.060 -6.827 4.924 629 H SER 81 H SER 81 -5.015 -3.098 5.518 630 HA SER 81 HA SER 81 -6.006 -1.823 7.970 631 HB2 SER 81 2HB SER 81 -4.783 -0.415 6.309 632 HB3 SER 81 1HB SER 81 -6.069 -0.741 5.146 633 HG SER 81 HG SER 81 -6.044 0.932 7.340 634 H GLU 82 H GLU 82 -8.197 -0.916 7.892 635 HA GLU 82 HA GLU 82 -10.128 -2.842 7.675 636 HB2 GLU 82 2HB GLU 82 -10.413 0.157 7.527 637 HB3 GLU 82 1HB GLU 82 -11.771 -0.945 7.713 638 HG2 GLU 82 2HG GLU 82 -11.404 -1.195 9.889 639 HG3 GLU 82 1HG GLU 82 -9.673 -1.433 9.656 640 HA PRO 83 HA PRO 83 -11.364 -3.390 3.514 641 HB2 PRO 83 2HB PRO 83 -14.106 -3.367 3.776 642 HB3 PRO 83 1HB PRO 83 -13.082 -4.764 4.119 643 HG2 PRO 83 2HG PRO 83 -14.259 -2.763 6.002 644 HG3 PRO 83 1HG PRO 83 -14.086 -4.518 6.193 645 HD2 PRO 83 2HD PRO 83 -12.420 -2.796 7.407 646 HD3 PRO 83 1HD PRO 83 -11.852 -4.359 6.782 647 H VAL 84 H VAL 84 -10.852 -1.629 2.335 648 HA VAL 84 HA VAL 84 -12.556 0.757 2.521 649 HB VAL 84 HB VAL 84 -9.910 0.360 1.106 650 HG11 VAL 84 1HG1 VAL 84 -9.941 2.761 0.712 651 HG12 VAL 84 2HG1 VAL 84 -11.534 2.881 1.462 652 HG13 VAL 84 3HG1 VAL 84 -11.332 1.985 -0.047 653 HG21 VAL 84 3HG2 VAL 84 -9.480 0.402 3.419 654 HG22 VAL 84 1HG2 VAL 84 -10.651 1.692 3.694 655 HG23 VAL 84 2HG2 VAL 84 -9.145 2.035 2.843 656 H LYS 85 H LYS 85 -14.336 0.369 1.308 657 HA LYS 85 HA LYS 85 -14.037 -0.765 -1.364 658 HB2 LYS 85 2HB LYS 85 -15.835 -1.540 0.227 659 HB3 LYS 85 1HB LYS 85 -16.586 0.036 0.040 660 HG2 LYS 85 2HG LYS 85 -15.983 -1.680 -2.338 661 HG3 LYS 85 1HG LYS 85 -17.453 -1.907 -1.387 662 HD2 LYS 85 2HD LYS 85 -17.814 0.615 -1.721 663 HD3 LYS 85 1HD LYS 85 -16.601 0.480 -2.995 664 HE2 LYS 85 2HE LYS 85 -18.002 -0.595 -4.389 665 HE3 LYS 85 1HE LYS 85 -18.721 -1.547 -3.091 666 HZ1 LYS 85 3HZ LYS 85 -20.172 0.197 -2.539 667 HZ2 LYS 85 1HZ LYS 85 -20.219 0.107 -4.229 668 HZ3 LYS 85 2HZ LYS 85 -19.326 1.327 -3.470 669 H SER 86 H SER 86 -13.599 0.595 -2.961 670 HA SER 86 HA SER 86 -14.778 3.293 -2.871 671 HB2 SER 86 2HB SER 86 -12.118 2.587 -3.159 672 HB3 SER 86 1HB SER 86 -12.630 2.899 -4.817 673 HG SER 86 HG SER 86 -11.863 4.717 -3.322 674 H GLU 87 H GLU 87 -14.572 4.088 -5.438 675 HA GLU 87 HA GLU 87 -16.786 2.938 -6.683 676 HB2 GLU 87 2HB GLU 87 -16.011 4.184 -8.719 677 HB3 GLU 87 1HB GLU 87 -16.140 5.164 -7.266 678 HG2 GLU 87 2HG GLU 87 -13.551 4.365 -7.138 679 HG3 GLU 87 1HG GLU 87 -13.798 4.478 -8.880 680 H PHE 88 H PHE 88 -13.502 1.931 -6.631 681 HA PHE 88 HA PHE 88 -13.696 0.327 -9.032 682 HB2 PHE 88 2HB PHE 88 -11.554 0.856 -7.000 683 HB3 PHE 88 1HB PHE 88 -11.398 -0.498 -8.112 684 HD1 PHE 88 1HD PHE 88 -11.352 -0.061 -10.569 685 HD2 PHE 88 2HD PHE 88 -11.140 3.066 -7.691 686 HE1 PHE 88 1HE PHE 88 -10.465 1.457 -12.290 687 HE2 PHE 88 2HE PHE 88 -10.252 4.591 -9.408 688 HZ PHE 88 HZ PHE 88 -9.914 3.786 -11.710 689 H GLY 89 H GLY 89 -13.757 -0.147 -5.534 690 HA2 GLY 89 2HA GLY 89 -15.387 -2.235 -5.264 691 HA3 GLY 89 1HA GLY 89 -13.944 -3.041 -5.854 692 H TYR 90 H TYR 90 -14.285 -4.144 -3.732 693 HA TYR 90 HA TYR 90 -13.676 -2.705 -1.338 694 HB2 TYR 90 2HB TYR 90 -14.611 -5.309 -2.093 695 HB3 TYR 90 1HB TYR 90 -13.257 -5.491 -0.995 696 HD1 TYR 90 1HD TYR 90 -16.468 -3.641 -1.366 697 HD2 TYR 90 2HD TYR 90 -13.646 -5.358 1.309 698 HE1 TYR 90 1HE TYR 90 -17.975 -3.168 0.517 699 HE2 TYR 90 2HE TYR 90 -15.148 -4.899 3.199 700 HH TYR 90 HH TYR 90 -17.081 -3.103 3.616 701 H HIS 91 H HIS 91 -11.716 -1.747 -1.410 702 HA HIS 91 HA HIS 91 -9.393 -3.069 -2.461 703 HB2 HIS 91 2HB HIS 91 -9.684 -0.451 -0.978 704 HB3 HIS 91 1HB HIS 91 -8.219 -1.003 -1.776 705 HD1 HIS 91 1HD HIS 91 -11.750 0.061 -2.584 706 HD2 HIS 91 2HD HIS 91 -8.080 -0.460 -4.458 707 HE1 HIS 91 1HE HIS 91 -12.036 1.006 -4.897 708 HE2 HIS 91 2HE HIS 91 -9.773 0.770 -5.977 709 H VAL 92 H VAL 92 -7.359 -3.135 -1.237 710 HA VAL 92 HA VAL 92 -7.555 -3.520 1.637 711 HB VAL 92 HB VAL 92 -6.534 -5.746 -0.138 712 HG11 VAL 92 1HG1 VAL 92 -6.860 -6.891 2.245 713 HG12 VAL 92 2HG1 VAL 92 -6.535 -5.242 2.781 714 HG13 VAL 92 3HG1 VAL 92 -5.359 -6.090 1.777 715 HG21 VAL 92 3HG2 VAL 92 -8.832 -5.894 -0.421 716 HG22 VAL 92 1HG2 VAL 92 -9.171 -5.333 1.215 717 HG23 VAL 92 2HG2 VAL 92 -8.544 -6.960 0.954 718 H ILE 93 H ILE 93 -5.626 -3.053 2.656 719 HA ILE 93 HA ILE 93 -3.294 -2.612 0.907 720 HB ILE 93 HB ILE 93 -3.228 -0.829 3.167 721 HG12 ILE 93 2HG1 ILE 93 -5.584 -0.434 1.312 722 HG13 ILE 93 1HG1 ILE 93 -5.712 -1.002 2.973 723 HG21 ILE 93 1HG2 ILE 93 -3.548 0.447 0.603 724 HG22 ILE 93 2HG2 ILE 93 -2.411 -0.898 0.503 725 HG23 ILE 93 3HG2 ILE 93 -2.146 0.400 1.667 726 HD11 ILE 93 3HD1 ILE 93 -5.854 1.100 3.622 727 HD12 ILE 93 1HD1 ILE 93 -5.554 1.668 1.981 728 HD13 ILE 93 2HD1 ILE 93 -4.201 1.355 3.066 729 H LYS 94 H LYS 94 -1.565 -3.686 1.488 730 HA LYS 94 HA LYS 94 -1.136 -4.312 4.331 731 HB2 LYS 94 2HB LYS 94 -1.835 -6.273 2.741 732 HB3 LYS 94 1HB LYS 94 -0.179 -6.159 2.164 733 HG2 LYS 94 2HG LYS 94 -1.103 -6.788 4.954 734 HG3 LYS 94 1HG LYS 94 -0.262 -7.852 3.828 735 HD2 LYS 94 2HD LYS 94 1.698 -6.360 3.926 736 HD3 LYS 94 1HD LYS 94 0.853 -5.357 5.108 737 HE2 LYS 94 2HE LYS 94 1.683 -8.237 5.427 738 HE3 LYS 94 1HE LYS 94 2.358 -6.840 6.262 739 HZ1 LYS 94 3HZ LYS 94 -0.213 -6.612 6.909 740 HZ2 LYS 94 1HZ LYS 94 0.910 -7.466 7.846 741 HZ3 LYS 94 2HZ LYS 94 -0.102 -8.294 6.772 742 H ARG 95 H ARG 95 0.549 -3.131 4.959 743 HA ARG 95 HA ARG 95 2.326 -1.831 3.285 744 HB2 ARG 95 2HB ARG 95 1.812 -1.790 5.965 745 HB3 ARG 95 1HB ARG 95 3.421 -2.499 5.927 746 HG2 ARG 95 2HG ARG 95 4.264 -0.597 4.687 747 HG3 ARG 95 1HG ARG 95 2.645 0.102 4.619 748 HD2 ARG 95 2HD ARG 95 2.874 1.006 6.641 749 HD3 ARG 95 1HD ARG 95 3.384 -0.532 7.335 750 HE ARG 95 HE ARG 95 5.068 1.648 6.531 751 HH11 ARG 95 1HH1 ARG 95 4.927 -1.802 7.043 752 HH12 ARG 95 2HH1 ARG 95 6.632 -1.958 7.310 753 HH21 ARG 95 1HH2 ARG 95 7.308 1.446 6.881 754 HH22 ARG 95 2HH2 ARG 95 7.984 -0.114 7.217 755 H LEU 96 H LEU 96 4.152 -2.297 2.325 756 HA LEU 96 HA LEU 96 5.825 -4.478 3.107 757 HB2 LEU 96 2HB LEU 96 5.417 -5.901 1.421 758 HB3 LEU 96 1HB LEU 96 3.848 -5.138 1.401 759 HG LEU 96 HG LEU 96 4.908 -3.552 -0.366 760 HD11 LEU 96 1HD1 LEU 96 7.145 -3.995 -0.478 761 HD12 LEU 96 2HD1 LEU 96 6.567 -5.106 -1.722 762 HD13 LEU 96 3HD1 LEU 96 6.935 -5.707 -0.106 763 HD21 LEU 96 3HD2 LEU 96 3.359 -4.695 -1.473 764 HD22 LEU 96 1HD2 LEU 96 3.671 -6.166 -0.551 765 HD23 LEU 96 2HD2 LEU 96 4.653 -5.788 -1.967 766 H GLY 97 H GLY 97 7.748 -3.598 3.047 767 HA2 GLY 97 2HA GLY 97 8.692 -2.224 0.687 768 HA3 GLY 97 1HA GLY 97 8.573 -1.214 2.114 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 13.202 22.726 10.433 2 H2 GLY 1 2HT GLY 1 11.848 21.848 10.943 3 H3 GLY 1 3HT GLY 1 11.729 23.518 10.697 4 HA2 GLY 1 1HA GLY 1 10.977 21.691 8.900 5 HA3 GLY 1 2HA GLY 1 11.449 23.335 8.499 6 HA PRO 2 HA PRO 2 15.476 20.898 7.620 7 HB2 PRO 2 2HB PRO 2 15.595 18.263 8.263 8 HB3 PRO 2 1HB PRO 2 16.038 19.548 9.394 9 HG2 PRO 2 2HG PRO 2 13.483 18.000 9.191 10 HG3 PRO 2 1HG PRO 2 14.403 18.457 10.637 11 HD2 PRO 2 2HD PRO 2 12.199 19.804 9.826 12 HD3 PRO 2 1HD PRO 2 13.552 20.599 10.654 13 H MET 3 H MET 3 15.641 20.547 5.505 14 HA MET 3 HA MET 3 13.595 18.948 4.161 15 HB2 MET 3 2HB MET 3 14.560 21.369 3.510 16 HB3 MET 3 1HB MET 3 15.680 20.366 2.596 17 HG2 MET 3 2HG MET 3 13.773 19.275 1.497 18 HG3 MET 3 1HG MET 3 12.678 20.339 2.381 19 HE1 MET 3 3HE MET 3 11.701 22.532 0.859 20 HE2 MET 3 1HE MET 3 13.006 23.718 0.879 21 HE3 MET 3 2HE MET 3 12.673 22.746 2.314 22 H GLY 4 H GLY 4 14.075 17.220 2.808 23 HA2 GLY 4 2HA GLY 4 16.069 16.106 1.647 24 HA3 GLY 4 1HA GLY 4 16.735 16.034 3.273 25 H SER 5 H SER 5 13.409 15.456 2.177 26 HA SER 5 HA SER 5 13.257 13.044 3.718 27 HB2 SER 5 2HB SER 5 11.380 14.601 1.992 28 HB3 SER 5 1HB SER 5 10.991 12.917 2.346 29 HG SER 5 HG SER 5 10.673 13.403 4.399 30 H MET 6 H MET 6 13.224 10.944 3.024 31 HA MET 6 HA MET 6 13.845 10.488 0.180 32 HB2 MET 6 2HB MET 6 15.013 9.156 2.622 33 HB3 MET 6 1HB MET 6 15.177 8.494 1.003 34 HG2 MET 6 2HG MET 6 16.500 10.283 0.281 35 HG3 MET 6 1HG MET 6 16.043 11.285 1.657 36 HE1 MET 6 3HE MET 6 19.119 7.871 1.635 37 HE2 MET 6 1HE MET 6 18.364 8.611 0.223 38 HE3 MET 6 2HE MET 6 17.422 7.551 1.273 39 H ALA 7 H ALA 7 12.395 9.153 3.120 40 HA ALA 7 HA ALA 7 11.002 7.144 1.498 41 HB1 ALA 7 1HB ALA 7 10.800 5.830 3.367 42 HB2 ALA 7 2HB ALA 7 10.818 7.207 4.471 43 HB3 ALA 7 3HB ALA 7 12.315 6.666 3.713 44 H ASP 8 H ASP 8 10.247 9.966 1.460 45 HA ASP 8 HA ASP 8 8.049 10.577 3.048 46 HB2 ASP 8 2HB ASP 8 9.170 11.531 0.516 47 HB3 ASP 8 1HB ASP 8 7.422 11.722 0.611 48 H LYS 9 H LYS 9 8.345 8.369 0.411 49 HA LYS 9 HA LYS 9 5.518 8.132 -0.075 50 HB2 LYS 9 2HB LYS 9 7.975 6.771 -1.112 51 HB3 LYS 9 1HB LYS 9 6.379 6.145 -1.474 52 HG2 LYS 9 2HG LYS 9 7.356 7.598 -3.229 53 HG3 LYS 9 1HG LYS 9 5.781 8.125 -2.643 54 HD2 LYS 9 2HD LYS 9 6.866 9.768 -1.212 55 HD3 LYS 9 1HD LYS 9 8.449 9.229 -1.771 56 HE2 LYS 9 2HE LYS 9 8.232 10.238 -3.787 57 HE3 LYS 9 1HE LYS 9 6.489 10.003 -3.843 58 HZ1 LYS 9 3HZ LYS 9 6.238 11.798 -2.237 59 HZ2 LYS 9 1HZ LYS 9 7.051 12.338 -3.619 60 HZ3 LYS 9 2HZ LYS 9 7.912 12.026 -2.198 61 H ILE 10 H ILE 10 4.417 6.075 0.043 62 HA ILE 10 HA ILE 10 5.306 4.506 2.374 63 HB ILE 10 HB ILE 10 2.488 4.296 1.436 64 HG12 ILE 10 2HG1 ILE 10 3.412 6.517 3.265 65 HG13 ILE 10 1HG1 ILE 10 3.027 6.747 1.562 66 HG21 ILE 10 1HG2 ILE 10 4.079 3.683 3.808 67 HG22 ILE 10 2HG2 ILE 10 2.603 2.930 3.200 68 HG23 ILE 10 3HG2 ILE 10 2.510 4.405 4.165 69 HD11 ILE 10 3HD1 ILE 10 1.142 5.738 3.666 70 HD12 ILE 10 1HD1 ILE 10 0.756 6.000 1.968 71 HD13 ILE 10 2HD1 ILE 10 1.169 7.372 2.997 72 H LYS 11 H LYS 11 5.775 2.515 2.076 73 HA LYS 11 HA LYS 11 5.314 1.326 -0.555 74 HB2 LYS 11 2HB LYS 11 7.096 0.240 1.626 75 HB3 LYS 11 1HB LYS 11 7.132 -0.133 -0.093 76 HG2 LYS 11 2HG LYS 11 8.353 1.682 -0.608 77 HG3 LYS 11 1HG LYS 11 7.526 2.719 0.567 78 HD2 LYS 11 2HD LYS 11 9.514 2.592 1.639 79 HD3 LYS 11 1HD LYS 11 8.860 1.065 2.231 80 HE2 LYS 11 2HE LYS 11 10.430 -0.104 1.166 81 HE3 LYS 11 1HE LYS 11 10.101 0.730 -0.354 82 HZ1 LYS 11 3HZ LYS 11 11.964 1.539 1.801 83 HZ2 LYS 11 1HZ LYS 11 11.474 2.605 0.581 84 HZ3 LYS 11 2HZ LYS 11 12.324 1.197 0.183 85 H CYS 12 H CYS 12 3.225 0.680 -0.405 86 HA CYS 12 HA CYS 12 2.644 -1.381 1.610 87 HB2 CYS 12 2HB CYS 12 0.653 -0.382 2.116 88 HB3 CYS 12 1HB CYS 12 1.511 1.045 1.579 89 HG CYS 12 HG CYS 12 0.241 0.369 -0.834 90 H SER 13 H SER 13 0.475 -2.540 0.828 91 HA SER 13 HA SER 13 0.851 -3.319 -1.988 92 HB2 SER 13 2HB SER 13 1.609 -5.234 -0.922 93 HB3 SER 13 1HB SER 13 0.555 -5.003 0.470 94 HG SER 13 HG SER 13 0.002 -6.152 -2.021 95 H HIS 14 H HIS 14 -1.122 -4.229 -3.007 96 HA HIS 14 HA HIS 14 -3.591 -3.383 -1.685 97 HB2 HIS 14 2HB HIS 14 -4.397 -2.162 -3.543 98 HB3 HIS 14 1HB HIS 14 -2.752 -1.602 -3.279 99 HD1 HIS 14 1HD HIS 14 -1.837 -4.470 -4.815 100 HD2 HIS 14 2HD HIS 14 -3.998 -1.216 -6.232 101 HE1 HIS 14 1HE HIS 14 -1.585 -4.532 -7.317 102 HE2 HIS 14 2HE HIS 14 -2.830 -2.506 -8.144 103 H ILE 15 H ILE 15 -5.451 -4.441 -2.249 104 HA ILE 15 HA ILE 15 -5.381 -6.539 -4.242 105 HB ILE 15 HB ILE 15 -5.572 -7.111 -1.292 106 HG12 ILE 15 2HG1 ILE 15 -4.084 -9.078 -2.301 107 HG13 ILE 15 1HG1 ILE 15 -3.796 -7.882 -3.552 108 HG21 ILE 15 1HG2 ILE 15 -7.182 -8.604 -1.638 109 HG22 ILE 15 2HG2 ILE 15 -6.036 -9.521 -2.616 110 HG23 ILE 15 3HG2 ILE 15 -7.120 -8.364 -3.382 111 HD11 ILE 15 3HD1 ILE 15 -2.770 -8.035 -0.840 112 HD12 ILE 15 1HD1 ILE 15 -3.422 -6.448 -1.249 113 HD13 ILE 15 2HD1 ILE 15 -2.153 -7.162 -2.243 114 H LEU 16 H LEU 16 -7.215 -6.239 -5.319 115 HA LEU 16 HA LEU 16 -9.543 -5.171 -3.907 116 HB2 LEU 16 2HB LEU 16 -8.439 -4.334 -6.193 117 HB3 LEU 16 1HB LEU 16 -9.550 -5.499 -6.846 118 HG LEU 16 HG LEU 16 -11.424 -4.336 -5.755 119 HD11 LEU 16 1HD1 LEU 16 -10.298 -3.390 -3.854 120 HD12 LEU 16 2HD1 LEU 16 -11.019 -2.092 -4.802 121 HD13 LEU 16 3HD1 LEU 16 -9.286 -2.397 -4.900 122 HD21 LEU 16 3HD2 LEU 16 -11.583 -3.267 -7.691 123 HD22 LEU 16 1HD2 LEU 16 -9.840 -3.397 -7.932 124 HD23 LEU 16 2HD2 LEU 16 -10.511 -2.011 -7.073 125 H VAL 17 H VAL 17 -11.365 -6.275 -3.611 126 HA VAL 17 HA VAL 17 -11.963 -8.611 -5.236 127 HB VAL 17 HB VAL 17 -12.341 -10.105 -3.402 128 HG11 VAL 17 1HG1 VAL 17 -9.716 -9.157 -2.491 129 HG12 VAL 17 2HG1 VAL 17 -9.871 -9.357 -4.235 130 HG13 VAL 17 3HG1 VAL 17 -10.191 -10.715 -3.165 131 HG21 VAL 17 3HG2 VAL 17 -11.423 -9.211 -1.075 132 HG22 VAL 17 1HG2 VAL 17 -13.104 -8.993 -1.565 133 HG23 VAL 17 2HG2 VAL 17 -11.953 -7.667 -1.749 134 H LYS 18 H LYS 18 -14.135 -8.778 -5.623 135 HA LYS 18 HA LYS 18 -15.805 -6.648 -4.702 136 HB2 LYS 18 2HB LYS 18 -16.129 -8.966 -6.554 137 HB3 LYS 18 1HB LYS 18 -17.581 -8.185 -5.939 138 HG2 LYS 18 2HG LYS 18 -17.286 -6.352 -7.199 139 HG3 LYS 18 1HG LYS 18 -15.536 -6.355 -6.984 140 HD2 LYS 18 2HD LYS 18 -15.261 -8.033 -8.663 141 HD3 LYS 18 1HD LYS 18 -17.004 -8.295 -8.761 142 HE2 LYS 18 2HE LYS 18 -17.184 -5.868 -9.469 143 HE3 LYS 18 1HE LYS 18 -15.431 -5.892 -9.653 144 HZ1 LYS 18 3HZ LYS 18 -16.870 -8.046 -10.965 145 HZ2 LYS 18 1HZ LYS 18 -15.554 -7.133 -11.510 146 HZ3 LYS 18 2HZ LYS 18 -17.120 -6.502 -11.610 147 H LYS 19 H LYS 19 -15.511 -10.073 -3.932 148 HA LYS 19 HA LYS 19 -17.846 -10.155 -2.308 149 HB2 LYS 19 2HB LYS 19 -16.582 -12.278 -1.409 150 HB3 LYS 19 1HB LYS 19 -17.270 -12.250 -3.024 151 HG2 LYS 19 2HG LYS 19 -15.279 -12.351 -4.045 152 HG3 LYS 19 1HG LYS 19 -14.475 -11.371 -2.822 153 HD2 LYS 19 2HD LYS 19 -13.565 -13.270 -2.072 154 HD3 LYS 19 1HD LYS 19 -15.170 -13.699 -1.479 155 HE2 LYS 19 2HE LYS 19 -14.495 -14.251 -4.328 156 HE3 LYS 19 1HE LYS 19 -13.826 -15.303 -3.080 157 HZ1 LYS 19 3HZ LYS 19 -15.815 -16.220 -2.679 158 HZ2 LYS 19 1HZ LYS 19 -16.236 -15.628 -4.209 159 HZ3 LYS 19 2HZ LYS 19 -16.655 -14.758 -2.820 160 H GLN 20 H GLN 20 -17.507 -8.227 -1.144 161 HA GLN 20 HA GLN 20 -15.434 -7.423 0.378 162 HB2 GLN 20 2HB GLN 20 -17.282 -5.980 0.195 163 HB3 GLN 20 1HB GLN 20 -18.390 -7.175 0.845 164 HG2 GLN 20 2HG GLN 20 -16.190 -6.172 2.578 165 HG3 GLN 20 1HG GLN 20 -17.590 -5.142 2.287 166 HE21 GLN 20 1HE2 GLN 20 -17.760 -5.425 4.658 167 HE22 GLN 20 2HE2 GLN 20 -18.658 -6.779 5.245 168 H GLY 21 H GLY 21 -17.479 -10.150 1.152 169 HA2 GLY 21 2HA GLY 21 -16.870 -10.187 3.926 170 HA3 GLY 21 1HA GLY 21 -17.413 -11.572 2.984 171 H GLU 22 H GLU 22 -15.236 -11.309 1.075 172 HA GLU 22 HA GLU 22 -13.285 -12.877 2.441 173 HB2 GLU 22 2HB GLU 22 -12.271 -13.142 0.342 174 HB3 GLU 22 1HB GLU 22 -13.986 -13.027 -0.007 175 HG2 GLU 22 2HG GLU 22 -13.676 -11.286 -1.313 176 HG3 GLU 22 1HG GLU 22 -12.724 -10.448 -0.104 177 H ALA 23 H ALA 23 -13.514 -9.581 1.278 178 HA ALA 23 HA ALA 23 -10.923 -8.686 1.591 179 HB1 ALA 23 1HB ALA 23 -12.506 -7.225 0.593 180 HB2 ALA 23 2HB ALA 23 -11.992 -6.443 2.089 181 HB3 ALA 23 3HB ALA 23 -13.548 -7.269 2.016 182 H LEU 24 H LEU 24 -13.437 -9.209 3.996 183 HA LEU 24 HA LEU 24 -11.974 -8.067 6.177 184 HB2 LEU 24 2HB LEU 24 -14.586 -8.787 5.773 185 HB3 LEU 24 1HB LEU 24 -14.022 -10.074 6.822 186 HG LEU 24 HG LEU 24 -15.071 -8.182 8.040 187 HD11 LEU 24 1HD1 LEU 24 -13.278 -7.940 9.721 188 HD12 LEU 24 2HD1 LEU 24 -12.151 -8.684 8.586 189 HD13 LEU 24 3HD1 LEU 24 -13.520 -9.609 9.206 190 HD21 LEU 24 3HD2 LEU 24 -13.731 -6.578 6.309 191 HD22 LEU 24 1HD2 LEU 24 -12.705 -6.472 7.740 192 HD23 LEU 24 2HD2 LEU 24 -14.413 -6.045 7.847 193 H ALA 25 H ALA 25 -12.184 -11.210 4.694 194 HA ALA 25 HA ALA 25 -10.860 -12.548 6.894 195 HB1 ALA 25 1HB ALA 25 -12.386 -13.942 5.837 196 HB2 ALA 25 2HB ALA 25 -10.842 -14.469 5.165 197 HB3 ALA 25 3HB ALA 25 -11.901 -13.417 4.224 198 H VAL 26 H VAL 26 -10.030 -11.459 3.632 199 HA VAL 26 HA VAL 26 -7.510 -12.615 3.419 200 HB VAL 26 HB VAL 26 -7.056 -11.190 1.636 201 HG11 VAL 26 1HG1 VAL 26 -9.891 -10.695 1.253 202 HG12 VAL 26 2HG1 VAL 26 -9.559 -12.332 1.821 203 HG13 VAL 26 3HG1 VAL 26 -8.788 -11.735 0.351 204 HG21 VAL 26 3HG2 VAL 26 -7.117 -9.063 2.737 205 HG22 VAL 26 1HG2 VAL 26 -8.868 -9.158 2.928 206 HG23 VAL 26 2HG2 VAL 26 -8.166 -8.981 1.320 207 H GLN 27 H GLN 27 -8.508 -9.624 5.012 208 HA GLN 27 HA GLN 27 -5.975 -8.554 5.470 209 HB2 GLN 27 2HB GLN 27 -6.974 -7.192 7.154 210 HB3 GLN 27 1HB GLN 27 -8.189 -7.419 5.904 211 HG2 GLN 27 2HG GLN 27 -9.356 -9.006 7.238 212 HG3 GLN 27 1HG GLN 27 -8.080 -9.016 8.447 213 HE21 GLN 27 1HE2 GLN 27 -9.603 -6.314 6.754 214 HE22 GLN 27 2HE2 GLN 27 -10.194 -5.526 8.173 215 H GLU 28 H GLU 28 -7.901 -10.728 7.524 216 HA GLU 28 HA GLU 28 -5.797 -11.119 9.420 217 HB2 GLU 28 2HB GLU 28 -7.315 -12.342 10.622 218 HB3 GLU 28 1HB GLU 28 -8.427 -11.424 9.618 219 HG2 GLU 28 2HG GLU 28 -8.097 -13.545 8.034 220 HG3 GLU 28 1HG GLU 28 -7.779 -14.306 9.591 221 H ARG 29 H ARG 29 -6.824 -12.641 6.480 222 HA ARG 29 HA ARG 29 -5.387 -15.087 6.826 223 HB2 ARG 29 2HB ARG 29 -7.428 -14.559 5.318 224 HB3 ARG 29 1HB ARG 29 -6.236 -13.962 4.174 225 HG2 ARG 29 2HG ARG 29 -6.849 -16.236 3.660 226 HG3 ARG 29 1HG ARG 29 -5.157 -16.158 4.163 227 HD2 ARG 29 2HD ARG 29 -6.681 -16.574 6.496 228 HD3 ARG 29 1HD ARG 29 -7.313 -17.681 5.280 229 HE ARG 29 HE ARG 29 -4.642 -18.025 5.084 230 HH11 ARG 29 1HH1 ARG 29 -6.853 -18.087 7.784 231 HH12 ARG 29 2HH1 ARG 29 -5.916 -19.230 8.687 232 HH21 ARG 29 1HH2 ARG 29 -3.409 -19.529 6.269 233 HH22 ARG 29 2HH2 ARG 29 -3.959 -20.049 7.827 234 H LEU 30 H LEU 30 -4.698 -11.981 5.364 235 HA LEU 30 HA LEU 30 -2.527 -12.584 3.778 236 HB2 LEU 30 2HB LEU 30 -3.761 -10.358 4.159 237 HB3 LEU 30 1HB LEU 30 -2.622 -10.104 5.464 238 HG LEU 30 HG LEU 30 -1.893 -8.953 3.450 239 HD11 LEU 30 1HD1 LEU 30 0.306 -9.477 3.671 240 HD12 LEU 30 2HD1 LEU 30 0.020 -11.214 3.578 241 HD13 LEU 30 3HD1 LEU 30 -0.321 -10.343 5.073 242 HD21 LEU 30 3HD2 LEU 30 -1.314 -11.458 1.991 243 HD22 LEU 30 1HD2 LEU 30 -1.775 -9.868 1.383 244 HD23 LEU 30 2HD2 LEU 30 -3.001 -10.950 2.043 245 H LYS 31 H LYS 31 -2.372 -11.456 7.156 246 HA LYS 31 HA LYS 31 0.400 -12.068 7.413 247 HB2 LYS 31 2HB LYS 31 0.109 -11.504 9.766 248 HB3 LYS 31 1HB LYS 31 -0.668 -10.309 8.741 249 HG2 LYS 31 2HG LYS 31 -2.492 -12.425 9.486 250 HG3 LYS 31 1HG LYS 31 -1.791 -11.631 10.895 251 HD2 LYS 31 2HD LYS 31 -2.449 -9.574 9.101 252 HD3 LYS 31 1HD LYS 31 -3.819 -10.685 9.087 253 HE2 LYS 31 2HE LYS 31 -2.702 -10.036 11.740 254 HE3 LYS 31 1HE LYS 31 -3.502 -8.712 10.895 255 HZ1 LYS 31 3HZ LYS 31 -4.890 -10.224 12.407 256 HZ2 LYS 31 1HZ LYS 31 -4.814 -11.342 11.139 257 HZ3 LYS 31 2HZ LYS 31 -5.515 -9.823 10.888 258 H ALA 32 H ALA 32 -2.310 -14.046 7.381 259 HA ALA 32 HA ALA 32 -1.863 -15.864 9.428 260 HB1 ALA 32 1HB ALA 32 -3.863 -15.747 7.919 261 HB2 ALA 32 2HB ALA 32 -3.262 -17.372 8.242 262 HB3 ALA 32 3HB ALA 32 -2.907 -16.592 6.701 263 H GLY 33 H GLY 33 -0.013 -15.339 6.576 264 HA2 GLY 33 2HA GLY 33 2.235 -16.578 7.085 265 HA3 GLY 33 1HA GLY 33 1.218 -17.965 6.748 266 H GLU 34 H GLU 34 -0.132 -15.870 4.766 267 HA GLU 34 HA GLU 34 1.685 -16.581 2.571 268 HB2 GLU 34 2HB GLU 34 -0.455 -15.834 1.200 269 HB3 GLU 34 1HB GLU 34 -0.294 -17.455 1.855 270 HG2 GLU 34 2HG GLU 34 -2.445 -16.874 2.414 271 HG3 GLU 34 1HG GLU 34 -1.562 -16.522 3.893 272 H LYS 35 H LYS 35 1.976 -15.035 0.826 273 HA LYS 35 HA LYS 35 2.239 -12.341 1.925 274 HB2 LYS 35 2HB LYS 35 3.968 -11.962 0.398 275 HB3 LYS 35 1HB LYS 35 4.182 -13.641 0.874 276 HG2 LYS 35 2HG LYS 35 2.618 -13.978 -1.283 277 HG3 LYS 35 1HG LYS 35 3.446 -12.485 -1.734 278 HD2 LYS 35 2HD LYS 35 4.778 -15.061 -0.889 279 HD3 LYS 35 1HD LYS 35 4.647 -14.461 -2.544 280 HE2 LYS 35 2HE LYS 35 5.744 -12.332 -1.171 281 HE3 LYS 35 1HE LYS 35 6.515 -13.736 -0.433 282 HZ1 LYS 35 3HZ LYS 35 7.231 -14.469 -2.596 283 HZ2 LYS 35 1HZ LYS 35 7.749 -12.876 -2.350 284 HZ3 LYS 35 2HZ LYS 35 6.422 -13.190 -3.351 285 H PHE 36 H PHE 36 1.735 -10.483 0.721 286 HA PHE 36 HA PHE 36 -0.812 -10.391 -0.361 287 HB2 PHE 36 2HB PHE 36 0.307 -8.215 -1.528 288 HB3 PHE 36 1HB PHE 36 -0.231 -8.258 0.146 289 HD1 PHE 36 1HD PHE 36 2.779 -8.968 -1.935 290 HD2 PHE 36 2HD PHE 36 1.241 -7.633 1.802 291 HE1 PHE 36 1HE PHE 36 5.061 -8.417 -1.198 292 HE2 PHE 36 2HE PHE 36 3.519 -7.081 2.546 293 HZ PHE 36 HZ PHE 36 5.433 -7.473 1.046 294 H GLY 37 H GLY 37 2.284 -10.901 -1.929 295 HA2 GLY 37 2HA GLY 37 1.605 -10.530 -4.592 296 HA3 GLY 37 1HA GLY 37 2.803 -11.686 -4.025 297 H LYS 38 H LYS 38 0.921 -13.242 -2.476 298 HA LYS 38 HA LYS 38 0.040 -15.011 -4.521 299 HB2 LYS 38 2HB LYS 38 -0.268 -14.929 -1.534 300 HB3 LYS 38 1HB LYS 38 -1.148 -16.114 -2.487 301 HG2 LYS 38 2HG LYS 38 1.185 -16.665 -3.481 302 HG3 LYS 38 1HG LYS 38 1.790 -15.855 -2.034 303 HD2 LYS 38 2HD LYS 38 1.650 -18.197 -1.567 304 HD3 LYS 38 1HD LYS 38 0.362 -17.387 -0.672 305 HE2 LYS 38 2HE LYS 38 -1.009 -18.901 -1.571 306 HE3 LYS 38 1HE LYS 38 -0.836 -17.994 -3.073 307 HZ1 LYS 38 3HZ LYS 38 0.526 -19.547 -3.963 308 HZ2 LYS 38 1HZ LYS 38 -0.313 -20.568 -2.904 309 HZ3 LYS 38 2HZ LYS 38 1.216 -19.981 -2.480 310 H LEU 39 H LEU 39 -1.728 -13.036 -2.135 311 HA LEU 39 HA LEU 39 -4.309 -13.583 -2.974 312 HB2 LEU 39 2HB LEU 39 -3.215 -11.002 -1.871 313 HB3 LEU 39 1HB LEU 39 -4.916 -11.357 -2.043 314 HG LEU 39 HG LEU 39 -4.381 -11.698 0.239 315 HD11 LEU 39 1HD1 LEU 39 -5.877 -13.361 -0.561 316 HD12 LEU 39 2HD1 LEU 39 -4.740 -14.145 0.533 317 HD13 LEU 39 3HD1 LEU 39 -4.553 -14.327 -1.211 318 HD21 LEU 39 3HD2 LEU 39 -1.867 -12.019 -0.365 319 HD22 LEU 39 1HD2 LEU 39 -2.283 -13.732 -0.357 320 HD23 LEU 39 2HD2 LEU 39 -2.532 -12.758 1.089 321 H ALA 40 H ALA 40 -1.928 -11.384 -4.314 322 HA ALA 40 HA ALA 40 -3.478 -9.755 -5.903 323 HB1 ALA 40 1HB ALA 40 -1.516 -9.559 -7.372 324 HB2 ALA 40 2HB ALA 40 -0.785 -10.941 -6.555 325 HB3 ALA 40 3HB ALA 40 -1.088 -9.447 -5.665 326 H LYS 41 H LYS 41 -2.058 -12.878 -6.805 327 HA LYS 41 HA LYS 41 -3.652 -12.994 -9.219 328 HB2 LYS 41 2HB LYS 41 -2.438 -15.052 -9.687 329 HB3 LYS 41 1HB LYS 41 -1.321 -13.766 -9.253 330 HG2 LYS 41 2HG LYS 41 -0.693 -14.772 -7.316 331 HG3 LYS 41 1HG LYS 41 -2.259 -15.548 -7.081 332 HD2 LYS 41 2HD LYS 41 -1.292 -16.706 -9.402 333 HD3 LYS 41 1HD LYS 41 0.139 -16.550 -8.382 334 HE2 LYS 41 2HE LYS 41 -0.506 -18.366 -7.278 335 HE3 LYS 41 1HE LYS 41 -1.917 -17.475 -6.707 336 HZ1 LYS 41 3HZ LYS 41 -2.356 -19.632 -7.903 337 HZ2 LYS 41 1HZ LYS 41 -1.871 -18.854 -9.326 338 HZ3 LYS 41 2HZ LYS 41 -3.214 -18.289 -8.467 339 H GLU 42 H GLU 42 -3.783 -14.166 -5.969 340 HA GLU 42 HA GLU 42 -5.389 -16.451 -6.441 341 HB2 GLU 42 2HB GLU 42 -4.169 -15.147 -4.217 342 HB3 GLU 42 1HB GLU 42 -5.831 -15.508 -3.808 343 HG2 GLU 42 2HG GLU 42 -5.200 -17.854 -4.842 344 HG3 GLU 42 1HG GLU 42 -3.577 -17.336 -4.383 345 H LEU 43 H LEU 43 -6.459 -13.487 -4.687 346 HA LEU 43 HA LEU 43 -9.092 -13.931 -5.937 347 HB2 LEU 43 2HB LEU 43 -10.001 -12.752 -3.847 348 HB3 LEU 43 1HB LEU 43 -9.531 -14.435 -3.738 349 HG LEU 43 HG LEU 43 -8.873 -12.985 -1.794 350 HD11 LEU 43 1HD1 LEU 43 -6.288 -13.931 -2.688 351 HD12 LEU 43 2HD1 LEU 43 -7.572 -15.097 -3.008 352 HD13 LEU 43 3HD1 LEU 43 -7.312 -14.503 -1.370 353 HD21 LEU 43 3HD2 LEU 43 -6.637 -11.975 -3.505 354 HD22 LEU 43 1HD2 LEU 43 -7.218 -11.377 -1.951 355 HD23 LEU 43 2HD2 LEU 43 -8.162 -11.095 -3.415 356 H SER 44 H SER 44 -6.548 -11.735 -5.624 357 HA SER 44 HA SER 44 -7.936 -9.289 -5.634 358 HB2 SER 44 2HB SER 44 -5.223 -10.215 -6.042 359 HB3 SER 44 1HB SER 44 -5.604 -8.869 -7.101 360 HG SER 44 HG SER 44 -6.465 -7.882 -5.082 361 H ILE 45 H ILE 45 -8.789 -8.037 -7.213 362 HA ILE 45 HA ILE 45 -9.065 -9.268 -9.875 363 HB ILE 45 HB ILE 45 -11.004 -7.771 -10.171 364 HG12 ILE 45 2HG1 ILE 45 -10.504 -7.015 -7.293 365 HG13 ILE 45 1HG1 ILE 45 -10.151 -5.981 -8.666 366 HG21 ILE 45 1HG2 ILE 45 -11.632 -9.010 -7.572 367 HG22 ILE 45 2HG2 ILE 45 -10.913 -10.080 -8.777 368 HG23 ILE 45 3HG2 ILE 45 -12.403 -9.213 -9.146 369 HD11 ILE 45 3HD1 ILE 45 -12.836 -6.899 -7.695 370 HD12 ILE 45 1HD1 ILE 45 -12.578 -6.057 -9.226 371 HD13 ILE 45 2HD1 ILE 45 -12.178 -5.260 -7.701 372 H ASP 46 H ASP 46 -7.501 -6.765 -8.227 373 HA ASP 46 HA ASP 46 -7.486 -4.582 -9.851 374 HB2 ASP 46 2HB ASP 46 -5.247 -4.094 -9.022 375 HB3 ASP 46 1HB ASP 46 -6.248 -4.744 -7.729 376 H GLY 47 H GLY 47 -6.699 -3.990 -11.774 377 HA2 GLY 47 2HA GLY 47 -6.094 -5.924 -13.713 378 HA3 GLY 47 1HA GLY 47 -5.892 -4.191 -13.905 379 H GLY 48 H GLY 48 -4.138 -5.381 -15.245 380 HA2 GLY 48 2HA GLY 48 -1.961 -6.606 -14.932 381 HA3 GLY 48 1HA GLY 48 -1.789 -4.937 -15.429 382 H SER 49 H SER 49 -2.277 -3.646 -12.959 383 HA SER 49 HA SER 49 0.229 -3.616 -11.813 384 HB2 SER 49 2HB SER 49 -2.271 -3.030 -10.228 385 HB3 SER 49 1HB SER 49 -0.683 -2.276 -10.080 386 HG SER 49 HG SER 49 -2.028 -0.896 -11.214 387 H ALA 50 H ALA 50 -2.276 -5.938 -11.339 388 HA ALA 50 HA ALA 50 -1.466 -6.897 -8.783 389 HB1 ALA 50 1HB ALA 50 -3.666 -7.270 -10.279 390 HB2 ALA 50 2HB ALA 50 -3.197 -8.335 -8.954 391 HB3 ALA 50 3HB ALA 50 -2.810 -8.772 -10.618 392 H LYS 51 H LYS 51 -0.285 -7.316 -11.976 393 HA LYS 51 HA LYS 51 0.882 -9.870 -11.710 394 HB2 LYS 51 2HB LYS 51 0.806 -7.752 -13.663 395 HB3 LYS 51 1HB LYS 51 2.419 -8.430 -13.548 396 HG2 LYS 51 2HG LYS 51 1.816 -10.297 -14.594 397 HG3 LYS 51 1HG LYS 51 0.372 -10.479 -13.596 398 HD2 LYS 51 2HD LYS 51 -0.027 -8.280 -15.358 399 HD3 LYS 51 1HD LYS 51 0.557 -9.649 -16.305 400 HE2 LYS 51 2HE LYS 51 -1.376 -10.748 -16.086 401 HE3 LYS 51 1HE LYS 51 -1.456 -10.422 -14.355 402 HZ1 LYS 51 3HZ LYS 51 -3.238 -9.443 -15.932 403 HZ2 LYS 51 1HZ LYS 51 -2.064 -8.272 -16.267 404 HZ3 LYS 51 2HZ LYS 51 -2.619 -8.485 -14.683 405 H ARG 52 H ARG 52 1.698 -7.001 -10.160 406 HA ARG 52 HA ARG 52 4.518 -7.788 -9.933 407 HB2 ARG 52 2HB ARG 52 5.062 -5.591 -9.383 408 HB3 ARG 52 1HB ARG 52 3.794 -5.393 -10.583 409 HG2 ARG 52 2HG ARG 52 2.171 -5.086 -8.720 410 HG3 ARG 52 1HG ARG 52 3.531 -5.113 -7.599 411 HD2 ARG 52 2HD ARG 52 2.942 -2.828 -8.092 412 HD3 ARG 52 1HD ARG 52 4.517 -3.197 -8.793 413 HE ARG 52 HE ARG 52 2.711 -3.677 -10.797 414 HH11 ARG 52 1HH1 ARG 52 3.543 -0.939 -8.799 415 HH12 ARG 52 2HH1 ARG 52 3.122 0.229 -10.006 416 HH21 ARG 52 1HH2 ARG 52 2.155 -2.142 -12.386 417 HH22 ARG 52 2HH2 ARG 52 2.330 -0.454 -12.042 418 H ASP 53 H ASP 53 2.157 -9.025 -8.579 419 HA ASP 53 HA ASP 53 1.773 -10.050 -6.596 420 HB2 ASP 53 2HB ASP 53 3.616 -10.595 -5.451 421 HB3 ASP 53 1HB ASP 53 4.504 -9.534 -6.534 422 H GLY 54 H GLY 54 1.186 -7.054 -7.252 423 HA2 GLY 54 2HA GLY 54 -0.278 -5.558 -6.276 424 HA3 GLY 54 1HA GLY 54 -0.349 -6.609 -4.869 425 H SER 55 H SER 55 2.801 -5.731 -5.866 426 HA SER 55 HA SER 55 3.269 -4.316 -3.429 427 HB2 SER 55 2HB SER 55 4.899 -5.225 -5.735 428 HB3 SER 55 1HB SER 55 5.518 -3.839 -4.837 429 HG SER 55 HG SER 55 6.307 -5.461 -3.685 430 H LEU 56 H LEU 56 1.939 -2.503 -3.465 431 HA LEU 56 HA LEU 56 1.684 -0.666 -5.540 432 HB2 LEU 56 2HB LEU 56 1.457 -0.364 -2.556 433 HB3 LEU 56 1HB LEU 56 1.151 0.970 -3.636 434 HG LEU 56 HG LEU 56 -0.422 -1.564 -3.295 435 HD11 LEU 56 1HD1 LEU 56 -1.681 -0.203 -2.087 436 HD12 LEU 56 2HD1 LEU 56 -2.058 0.684 -3.563 437 HD13 LEU 56 3HD1 LEU 56 -0.710 1.195 -2.549 438 HD21 LEU 56 3HD2 LEU 56 -1.777 -0.344 -5.262 439 HD22 LEU 56 1HD2 LEU 56 -0.590 -1.615 -5.549 440 HD23 LEU 56 2HD2 LEU 56 -0.131 0.076 -5.734 441 H GLY 57 H GLY 57 4.237 -1.119 -3.225 442 HA2 GLY 57 2HA GLY 57 6.345 -0.212 -3.123 443 HA3 GLY 57 1HA GLY 57 6.043 0.484 -4.707 444 H TYR 58 H TYR 58 7.355 2.248 -3.723 445 HA TYR 58 HA TYR 58 6.294 3.815 -1.616 446 HB2 TYR 58 2HB TYR 58 7.949 5.364 -3.441 447 HB3 TYR 58 1HB TYR 58 8.205 4.978 -1.751 448 HD1 TYR 58 1HD TYR 58 8.846 3.904 -5.206 449 HD2 TYR 58 2HD TYR 58 9.611 3.132 -1.092 450 HE1 TYR 58 1HE TYR 58 10.676 2.388 -5.837 451 HE2 TYR 58 2HE TYR 58 11.444 1.614 -1.711 452 HH TYR 58 HH TYR 58 12.964 1.244 -3.616 453 H PHE 59 H PHE 59 4.603 5.061 -1.621 454 HA PHE 59 HA PHE 59 3.962 6.610 -4.024 455 HB2 PHE 59 2HB PHE 59 2.028 5.019 -2.358 456 HB3 PHE 59 1HB PHE 59 1.508 6.362 -3.354 457 HD1 PHE 59 1HD PHE 59 3.381 5.886 -5.686 458 HD2 PHE 59 2HD PHE 59 0.900 3.256 -3.439 459 HE1 PHE 59 1HE PHE 59 3.206 4.394 -7.632 460 HE2 PHE 59 2HE PHE 59 0.721 1.764 -5.382 461 HZ PHE 59 HZ PHE 59 1.873 2.329 -7.483 462 H GLY 60 H GLY 60 2.991 8.609 -3.597 463 HA2 GLY 60 2HA GLY 60 3.390 9.507 -0.816 464 HA3 GLY 60 1HA GLY 60 3.680 10.517 -2.216 465 H ARG 61 H ARG 61 2.216 11.877 -0.726 466 HA ARG 61 HA ARG 61 -0.568 11.229 -0.698 467 HB2 ARG 61 2HB ARG 61 0.936 13.762 -0.022 468 HB3 ARG 61 1HB ARG 61 -0.805 13.584 0.158 469 HG2 ARG 61 2HG ARG 61 -0.620 12.323 2.016 470 HG3 ARG 61 1HG ARG 61 0.842 11.512 1.453 471 HD2 ARG 61 2HD ARG 61 1.877 13.918 1.805 472 HD3 ARG 61 1HD ARG 61 0.530 14.076 2.931 473 HE ARG 61 HE ARG 61 2.907 12.570 3.322 474 HH11 ARG 61 1HH1 ARG 61 -0.512 12.577 4.018 475 HH12 ARG 61 2HH1 ARG 61 -0.348 11.628 5.457 476 HH21 ARG 61 1HH2 ARG 61 3.126 11.321 5.214 477 HH22 ARG 61 2HH2 ARG 61 1.717 10.913 6.135 478 H GLY 62 H GLY 62 -0.901 10.876 -2.947 479 HA2 GLY 62 2HA GLY 62 -2.294 12.587 -4.360 480 HA3 GLY 62 1HA GLY 62 -0.693 13.220 -4.675 481 H LYS 63 H LYS 63 -1.561 9.808 -4.345 482 HA LYS 63 HA LYS 63 -1.138 9.455 -7.227 483 HB2 LYS 63 2HB LYS 63 0.141 7.761 -5.075 484 HB3 LYS 63 1HB LYS 63 0.256 7.480 -6.806 485 HG2 LYS 63 2HG LYS 63 1.087 10.124 -6.409 486 HG3 LYS 63 1HG LYS 63 1.840 9.179 -5.124 487 HD2 LYS 63 2HD LYS 63 2.780 7.652 -6.749 488 HD3 LYS 63 1HD LYS 63 1.947 8.489 -8.060 489 HE2 LYS 63 2HE LYS 63 3.892 9.596 -8.271 490 HE3 LYS 63 1HE LYS 63 3.283 10.544 -6.915 491 HZ1 LYS 63 3HZ LYS 63 5.424 9.921 -6.294 492 HZ2 LYS 63 1HZ LYS 63 5.252 8.342 -6.876 493 HZ3 LYS 63 2HZ LYS 63 4.438 8.818 -5.473 494 H MET 64 H MET 64 -2.139 7.854 -4.209 495 HA MET 64 HA MET 64 -3.930 6.125 -5.746 496 HB2 MET 64 2HB MET 64 -4.274 5.033 -3.460 497 HB3 MET 64 1HB MET 64 -2.696 4.850 -4.209 498 HG2 MET 64 2HG MET 64 -2.870 7.198 -2.505 499 HG3 MET 64 1HG MET 64 -3.193 5.695 -1.644 500 HE1 MET 64 3HE MET 64 -1.727 4.132 -0.920 501 HE2 MET 64 1HE MET 64 0.009 4.003 -1.196 502 HE3 MET 64 2HE MET 64 -1.124 3.416 -2.415 503 H VAL 65 H VAL 65 -6.094 5.663 -4.623 504 HA VAL 65 HA VAL 65 -7.659 7.965 -4.678 505 HB VAL 65 HB VAL 65 -9.478 6.605 -3.769 506 HG11 VAL 65 1HG1 VAL 65 -9.323 6.220 -6.028 507 HG12 VAL 65 2HG1 VAL 65 -9.130 4.582 -5.401 508 HG13 VAL 65 3HG1 VAL 65 -7.714 5.506 -5.907 509 HG21 VAL 65 3HG2 VAL 65 -7.902 4.142 -3.561 510 HG22 VAL 65 1HG2 VAL 65 -9.208 4.744 -2.540 511 HG23 VAL 65 2HG2 VAL 65 -7.566 5.339 -2.312 512 H LYS 66 H LYS 66 -8.957 8.906 -2.938 513 HA LYS 66 HA LYS 66 -7.367 9.831 -0.830 514 HB2 LYS 66 2HB LYS 66 -9.553 10.777 -1.955 515 HB3 LYS 66 1HB LYS 66 -10.339 9.943 -0.624 516 HG2 LYS 66 2HG LYS 66 -9.822 11.569 0.785 517 HG3 LYS 66 1HG LYS 66 -8.116 11.476 0.348 518 HD2 LYS 66 2HD LYS 66 -8.249 13.315 -0.912 519 HD3 LYS 66 1HD LYS 66 -9.701 12.737 -1.729 520 HE2 LYS 66 2HE LYS 66 -10.687 13.368 0.722 521 HE3 LYS 66 1HE LYS 66 -9.412 14.573 0.546 522 HZ1 LYS 66 3HZ LYS 66 -10.493 14.866 -1.794 523 HZ2 LYS 66 1HZ LYS 66 -11.163 15.630 -0.440 524 HZ3 LYS 66 2HZ LYS 66 -11.854 14.206 -1.037 525 HA PRO 67 HA PRO 67 -10.011 6.993 2.095 526 HB2 PRO 67 2HB PRO 67 -10.882 4.678 0.874 527 HB3 PRO 67 1HB PRO 67 -11.892 6.071 1.212 528 HG2 PRO 67 2HG PRO 67 -10.654 5.192 -1.330 529 HG3 PRO 67 1HG PRO 67 -12.166 6.069 -1.059 530 HD2 PRO 67 2HD PRO 67 -9.868 7.227 -1.972 531 HD3 PRO 67 1HD PRO 67 -11.125 8.097 -1.089 532 H PHE 68 H PHE 68 -8.329 5.432 -0.583 533 HA PHE 68 HA PHE 68 -7.131 3.416 1.066 534 HB2 PHE 68 2HB PHE 68 -7.586 3.255 -1.443 535 HB3 PHE 68 1HB PHE 68 -6.157 4.260 -1.659 536 HD1 PHE 68 1HD PHE 68 -3.951 3.416 -0.771 537 HD2 PHE 68 2HD PHE 68 -7.400 0.950 -1.127 538 HE1 PHE 68 1HE PHE 68 -2.524 1.415 -0.687 539 HE2 PHE 68 2HE PHE 68 -5.978 -1.057 -1.042 540 HZ PHE 68 HZ PHE 68 -3.537 -0.825 -0.823 541 H GLU 69 H GLU 69 -5.867 6.320 -0.574 542 HA GLU 69 HA GLU 69 -3.249 6.176 0.355 543 HB2 GLU 69 2HB GLU 69 -4.347 7.783 -1.359 544 HB3 GLU 69 1HB GLU 69 -4.680 8.796 0.038 545 HG2 GLU 69 2HG GLU 69 -1.917 7.877 -0.099 546 HG3 GLU 69 1HG GLU 69 -2.408 8.851 -1.484 547 H ASP 70 H ASP 70 -6.158 7.313 1.917 548 HA ASP 70 HA ASP 70 -4.965 8.690 4.066 549 HB2 ASP 70 2HB ASP 70 -7.643 7.657 3.400 550 HB3 ASP 70 1HB ASP 70 -7.311 7.777 5.126 551 H ALA 71 H ALA 71 -6.244 5.369 3.871 552 HA ALA 71 HA ALA 71 -5.279 4.668 6.471 553 HB1 ALA 71 1HB ALA 71 -6.742 3.321 4.296 554 HB2 ALA 71 2HB ALA 71 -7.037 3.325 6.035 555 HB3 ALA 71 3HB ALA 71 -5.791 2.279 5.355 556 H ALA 72 H ALA 72 -3.774 4.954 3.460 557 HA ALA 72 HA ALA 72 -1.968 2.810 3.475 558 HB1 ALA 72 1HB ALA 72 -2.406 4.341 1.556 559 HB2 ALA 72 2HB ALA 72 -0.696 4.049 1.873 560 HB3 ALA 72 3HB ALA 72 -1.439 5.565 2.378 561 H PHE 73 H PHE 73 -1.613 6.109 4.751 562 HA PHE 73 HA PHE 73 0.913 5.374 6.012 563 HB2 PHE 73 2HB PHE 73 0.880 7.838 6.695 564 HB3 PHE 73 1HB PHE 73 1.031 7.491 4.975 565 HD1 PHE 73 1HD PHE 73 -1.524 8.264 7.566 566 HD2 PHE 73 2HD PHE 73 -0.384 8.526 3.476 567 HE1 PHE 73 1HE PHE 73 -3.490 9.671 7.114 568 HE2 PHE 73 2HE PHE 73 -2.350 9.932 3.016 569 HZ PHE 73 HZ PHE 73 -3.907 10.504 4.835 570 H ARG 74 H ARG 74 -1.942 4.540 6.883 571 HA ARG 74 HA ARG 74 -1.927 5.633 9.598 572 HB2 ARG 74 2HB ARG 74 -4.006 5.266 7.933 573 HB3 ARG 74 1HB ARG 74 -4.021 3.710 8.750 574 HG2 ARG 74 2HG ARG 74 -5.277 4.724 10.284 575 HG3 ARG 74 1HG ARG 74 -3.772 5.456 10.840 576 HD2 ARG 74 2HD ARG 74 -4.808 6.943 8.619 577 HD3 ARG 74 1HD ARG 74 -6.066 6.747 9.838 578 HE ARG 74 HE ARG 74 -3.676 8.329 10.050 579 HH11 ARG 74 1HH1 ARG 74 -6.141 6.622 11.835 580 HH12 ARG 74 2HH1 ARG 74 -5.923 7.559 13.274 581 HH21 ARG 74 1HH2 ARG 74 -3.388 9.563 11.942 582 HH22 ARG 74 2HH2 ARG 74 -4.361 9.229 13.336 583 H LEU 75 H LEU 75 -1.365 2.712 7.800 584 HA LEU 75 HA LEU 75 -1.053 1.197 10.291 585 HB2 LEU 75 2HB LEU 75 -1.403 0.362 7.430 586 HB3 LEU 75 1HB LEU 75 -0.864 -0.765 8.652 587 HG LEU 75 HG LEU 75 -3.556 0.381 8.189 588 HD11 LEU 75 1HD1 LEU 75 -2.338 -2.224 9.008 589 HD12 LEU 75 2HD1 LEU 75 -3.305 -1.845 7.582 590 HD13 LEU 75 3HD1 LEU 75 -4.069 -1.927 9.169 591 HD21 LEU 75 3HD2 LEU 75 -4.249 -0.014 10.499 592 HD22 LEU 75 1HD2 LEU 75 -3.047 1.273 10.412 593 HD23 LEU 75 2HD2 LEU 75 -2.576 -0.338 10.954 594 H GLN 76 H GLN 76 0.933 2.721 10.386 595 HA GLN 76 HA GLN 76 3.186 2.068 8.775 596 HB2 GLN 76 2HB GLN 76 2.749 3.626 11.292 597 HB3 GLN 76 1HB GLN 76 4.388 3.174 10.846 598 HG2 GLN 76 2HG GLN 76 3.524 4.188 8.507 599 HG3 GLN 76 1HG GLN 76 2.568 5.144 9.639 600 HE21 GLN 76 1HE2 GLN 76 5.252 5.257 7.895 601 HE22 GLN 76 2HE2 GLN 76 6.258 6.237 8.899 602 H VAL 77 H VAL 77 1.646 0.587 11.421 603 HA VAL 77 HA VAL 77 3.811 -0.753 12.642 604 HB VAL 77 HB VAL 77 1.774 -0.693 13.856 605 HG11 VAL 77 1HG1 VAL 77 0.588 -1.237 11.275 606 HG12 VAL 77 2HG1 VAL 77 -0.125 -0.508 12.714 607 HG13 VAL 77 3HG1 VAL 77 -0.098 -2.262 12.537 608 HG21 VAL 77 3HG2 VAL 77 1.426 -3.507 13.103 609 HG22 VAL 77 1HG2 VAL 77 1.831 -2.788 14.663 610 HG23 VAL 77 2HG2 VAL 77 3.093 -3.048 13.460 611 H GLY 78 H GLY 78 2.001 -1.313 9.729 612 HA2 GLY 78 2HA GLY 78 2.805 -2.667 7.959 613 HA3 GLY 78 1HA GLY 78 3.743 -3.573 9.124 614 H GLU 79 H GLU 79 0.333 -2.751 8.736 615 HA GLU 79 HA GLU 79 -0.290 -5.617 8.794 616 HB2 GLU 79 2HB GLU 79 -0.463 -4.314 11.042 617 HB3 GLU 79 1HB GLU 79 -1.934 -3.674 10.353 618 HG2 GLU 79 2HG GLU 79 -1.815 -6.536 10.076 619 HG3 GLU 79 1HG GLU 79 -1.610 -6.047 11.758 620 H VAL 80 H VAL 80 -2.791 -5.841 8.442 621 HA VAL 80 HA VAL 80 -3.336 -4.413 5.999 622 HB VAL 80 HB VAL 80 -4.989 -6.539 7.368 623 HG11 VAL 80 1HG1 VAL 80 -5.334 -4.972 4.882 624 HG12 VAL 80 2HG1 VAL 80 -6.543 -5.665 5.962 625 HG13 VAL 80 3HG1 VAL 80 -5.708 -6.694 4.797 626 HG21 VAL 80 3HG2 VAL 80 -2.952 -6.718 5.153 627 HG22 VAL 80 1HG2 VAL 80 -4.072 -8.016 5.575 628 HG23 VAL 80 2HG2 VAL 80 -2.873 -7.470 6.748 629 H SER 81 H SER 81 -5.162 -3.087 5.623 630 HA SER 81 HA SER 81 -6.230 -1.903 8.089 631 HB2 SER 81 2HB SER 81 -5.004 -0.674 5.989 632 HB3 SER 81 1HB SER 81 -6.700 -0.491 5.543 633 HG SER 81 HG SER 81 -6.962 0.303 7.782 634 H GLU 82 H GLU 82 -8.443 -1.025 7.971 635 HA GLU 82 HA GLU 82 -10.331 -2.977 7.617 636 HB2 GLU 82 2HB GLU 82 -10.754 0.011 7.470 637 HB3 GLU 82 1HB GLU 82 -12.015 -1.181 7.755 638 HG2 GLU 82 2HG GLU 82 -11.638 -0.799 9.914 639 HG3 GLU 82 1HG GLU 82 -10.199 -1.794 9.699 640 HA PRO 83 HA PRO 83 -11.355 -3.393 3.375 641 HB2 PRO 83 2HB PRO 83 -14.109 -3.455 3.498 642 HB3 PRO 83 1HB PRO 83 -13.061 -4.835 3.843 643 HG2 PRO 83 2HG PRO 83 -14.382 -2.935 5.737 644 HG3 PRO 83 1HG PRO 83 -14.178 -4.693 5.869 645 HD2 PRO 83 2HD PRO 83 -12.613 -2.992 7.234 646 HD3 PRO 83 1HD PRO 83 -11.975 -4.510 6.569 647 H VAL 84 H VAL 84 -10.809 -1.556 2.327 648 HA VAL 84 HA VAL 84 -12.603 0.765 2.497 649 HB VAL 84 HB VAL 84 -9.869 0.551 1.216 650 HG11 VAL 84 1HG1 VAL 84 -11.462 3.032 1.853 651 HG12 VAL 84 2HG1 VAL 84 -11.397 2.275 0.260 652 HG13 VAL 84 3HG1 VAL 84 -9.929 2.925 0.985 653 HG21 VAL 84 3HG2 VAL 84 -9.216 2.032 3.168 654 HG22 VAL 84 1HG2 VAL 84 -9.525 0.334 3.534 655 HG23 VAL 84 2HG2 VAL 84 -10.742 1.554 3.911 656 H LYS 85 H LYS 85 -14.263 0.439 1.114 657 HA LYS 85 HA LYS 85 -13.747 -0.643 -1.538 658 HB2 LYS 85 2HB LYS 85 -15.675 -1.472 -0.233 659 HB3 LYS 85 1HB LYS 85 -16.359 0.148 -0.245 660 HG2 LYS 85 2HG LYS 85 -15.697 -0.916 -2.895 661 HG3 LYS 85 1HG LYS 85 -16.956 -1.801 -2.031 662 HD2 LYS 85 2HD LYS 85 -17.736 0.750 -1.579 663 HD3 LYS 85 1HD LYS 85 -16.987 0.914 -3.169 664 HE2 LYS 85 2HE LYS 85 -18.387 -1.119 -3.834 665 HE3 LYS 85 1HE LYS 85 -19.295 -0.824 -2.352 666 HZ1 LYS 85 3HZ LYS 85 -20.317 0.939 -3.240 667 HZ2 LYS 85 1HZ LYS 85 -19.842 0.296 -4.732 668 HZ3 LYS 85 2HZ LYS 85 -18.921 1.512 -4.005 669 H SER 86 H SER 86 -13.131 0.688 -3.069 670 HA SER 86 HA SER 86 -14.105 3.460 -3.044 671 HB2 SER 86 2HB SER 86 -11.607 2.163 -3.889 672 HB3 SER 86 1HB SER 86 -12.226 3.331 -5.054 673 HG SER 86 HG SER 86 -11.679 4.879 -3.751 674 H GLU 87 H GLU 87 -13.901 4.178 -5.647 675 HA GLU 87 HA GLU 87 -16.281 3.208 -6.771 676 HB2 GLU 87 2HB GLU 87 -15.440 4.384 -8.866 677 HB3 GLU 87 1HB GLU 87 -15.600 5.372 -7.419 678 HG2 GLU 87 2HG GLU 87 -12.983 4.335 -7.412 679 HG3 GLU 87 1HG GLU 87 -13.303 4.915 -9.046 680 H PHE 88 H PHE 88 -13.140 1.873 -6.780 681 HA PHE 88 HA PHE 88 -13.592 0.328 -9.208 682 HB2 PHE 88 2HB PHE 88 -11.260 1.016 -7.534 683 HB3 PHE 88 1HB PHE 88 -11.232 -0.596 -8.237 684 HD1 PHE 88 1HD PHE 88 -11.230 -0.885 -10.675 685 HD2 PHE 88 2HD PHE 88 -11.000 2.963 -8.874 686 HE1 PHE 88 1HE PHE 88 -10.451 0.062 -12.808 687 HE2 PHE 88 2HE PHE 88 -10.221 3.918 -11.004 688 HZ PHE 88 HZ PHE 88 -9.946 2.466 -12.974 689 H GLY 89 H GLY 89 -13.216 -0.176 -5.713 690 HA2 GLY 89 2HA GLY 89 -14.949 -2.275 -5.426 691 HA3 GLY 89 1HA GLY 89 -13.447 -3.036 -5.920 692 H TYR 90 H TYR 90 -14.014 -4.010 -3.710 693 HA TYR 90 HA TYR 90 -13.418 -2.404 -1.420 694 HB2 TYR 90 2HB TYR 90 -14.360 -5.102 -1.992 695 HB3 TYR 90 1HB TYR 90 -13.269 -5.037 -0.622 696 HD1 TYR 90 1HD TYR 90 -13.830 -3.506 1.313 697 HD2 TYR 90 2HD TYR 90 -16.571 -4.307 -1.841 698 HE1 TYR 90 1HE TYR 90 -15.676 -2.671 2.709 699 HE2 TYR 90 2HE TYR 90 -18.423 -3.473 -0.453 700 HH TYR 90 HH TYR 90 -18.356 -1.632 1.789 701 H HIS 91 H HIS 91 -11.414 -1.590 -1.467 702 HA HIS 91 HA HIS 91 -9.127 -3.098 -2.284 703 HB2 HIS 91 2HB HIS 91 -9.539 -0.353 -1.142 704 HB3 HIS 91 1HB HIS 91 -7.925 -1.009 -1.362 705 HD1 HIS 91 1HD HIS 91 -11.005 -0.171 -3.401 706 HD2 HIS 91 2HD HIS 91 -6.916 -0.736 -3.880 707 HE1 HIS 91 1HE HIS 91 -10.510 0.485 -5.777 708 HE2 HIS 91 2HE HIS 91 -8.045 0.047 -6.071 709 H VAL 92 H VAL 92 -7.137 -3.058 -0.917 710 HA VAL 92 HA VAL 92 -7.501 -3.355 1.945 711 HB VAL 92 HB VAL 92 -6.393 -5.659 0.329 712 HG11 VAL 92 1HG1 VAL 92 -5.359 -5.846 2.365 713 HG12 VAL 92 2HG1 VAL 92 -6.842 -6.749 2.677 714 HG13 VAL 92 3HG1 VAL 92 -6.688 -5.082 3.234 715 HG21 VAL 92 3HG2 VAL 92 -8.476 -6.837 1.245 716 HG22 VAL 92 1HG2 VAL 92 -8.690 -5.736 -0.116 717 HG23 VAL 92 2HG2 VAL 92 -9.115 -5.216 1.514 718 H ILE 93 H ILE 93 -5.719 -2.550 2.943 719 HA ILE 93 HA ILE 93 -3.317 -2.188 1.275 720 HB ILE 93 HB ILE 93 -3.458 -0.576 3.721 721 HG12 ILE 93 2HG1 ILE 93 -5.481 -0.184 1.508 722 HG13 ILE 93 1HG1 ILE 93 -5.824 -0.506 3.199 723 HG21 ILE 93 1HG2 ILE 93 -2.530 -0.381 0.937 724 HG22 ILE 93 2HG2 ILE 93 -1.790 0.204 2.426 725 HG23 ILE 93 3HG2 ILE 93 -3.079 1.130 1.660 726 HD11 ILE 93 3HD1 ILE 93 -6.203 1.749 3.066 727 HD12 ILE 93 1HD1 ILE 93 -4.905 2.009 1.902 728 HD13 ILE 93 2HD1 ILE 93 -4.520 1.711 3.597 729 H LYS 94 H LYS 94 -1.559 -3.246 1.767 730 HA LYS 94 HA LYS 94 -1.067 -4.028 4.560 731 HB2 LYS 94 2HB LYS 94 -1.776 -6.025 3.351 732 HB3 LYS 94 1HB LYS 94 -0.585 -5.718 2.095 733 HG2 LYS 94 2HG LYS 94 0.092 -7.490 3.668 734 HG3 LYS 94 1HG LYS 94 1.218 -6.133 3.629 735 HD2 LYS 94 2HD LYS 94 0.436 -5.299 5.700 736 HD3 LYS 94 1HD LYS 94 -0.979 -6.355 5.673 737 HE2 LYS 94 2HE LYS 94 0.613 -7.241 7.236 738 HE3 LYS 94 1HE LYS 94 0.541 -8.309 5.834 739 HZ1 LYS 94 3HZ LYS 94 2.651 -6.323 6.471 740 HZ2 LYS 94 1HZ LYS 94 2.544 -7.129 4.987 741 HZ3 LYS 94 2HZ LYS 94 2.810 -8.005 6.409 742 H ARG 95 H ARG 95 0.681 -2.966 5.231 743 HA ARG 95 HA ARG 95 2.419 -1.546 3.585 744 HB2 ARG 95 2HB ARG 95 1.975 -1.564 6.225 745 HB3 ARG 95 1HB ARG 95 3.469 -2.490 6.189 746 HG2 ARG 95 2HG ARG 95 3.735 -0.179 4.521 747 HG3 ARG 95 1HG ARG 95 3.163 0.298 6.120 748 HD2 ARG 95 2HD ARG 95 5.214 -1.656 6.435 749 HD3 ARG 95 1HD ARG 95 5.789 -0.417 5.322 750 HE ARG 95 HE ARG 95 5.249 -0.116 8.138 751 HH11 ARG 95 1HH1 ARG 95 5.640 1.531 5.083 752 HH12 ARG 95 2HH1 ARG 95 6.057 3.045 5.812 753 HH21 ARG 95 1HH2 ARG 95 5.793 1.877 9.096 754 HH22 ARG 95 2HH2 ARG 95 6.144 3.242 8.089 755 H LEU 96 H LEU 96 4.259 -1.935 2.589 756 HA LEU 96 HA LEU 96 5.932 -4.155 3.166 757 HB2 LEU 96 2HB LEU 96 5.414 -5.550 1.501 758 HB3 LEU 96 1HB LEU 96 3.859 -4.763 1.552 759 HG LEU 96 HG LEU 96 4.855 -3.180 -0.243 760 HD11 LEU 96 1HD1 LEU 96 6.891 -5.329 -0.073 761 HD12 LEU 96 2HD1 LEU 96 7.080 -3.620 -0.464 762 HD13 LEU 96 3HD1 LEU 96 6.451 -4.738 -1.675 763 HD21 LEU 96 3HD2 LEU 96 4.553 -5.572 -1.727 764 HD22 LEU 96 1HD2 LEU 96 3.380 -4.282 -1.462 765 HD23 LEU 96 2HD2 LEU 96 3.459 -5.646 -0.346 766 H GLY 97 H GLY 97 7.856 -3.275 3.026 767 HA2 GLY 97 2HA GLY 97 8.678 -1.866 0.640 768 HA3 GLY 97 1HA GLY 97 8.640 -0.880 2.088 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 9.916 18.091 12.648 2 H2 GLY 1 2HT GLY 1 11.566 18.460 12.694 3 H3 GLY 1 3HT GLY 1 11.056 16.850 12.804 4 HA2 GLY 1 1HA GLY 1 10.163 16.966 10.546 5 HA3 GLY 1 2HA GLY 1 10.753 18.619 10.437 6 HA PRO 2 HA PRO 2 14.494 15.322 10.604 7 HB2 PRO 2 2HB PRO 2 13.087 13.514 8.694 8 HB3 PRO 2 1HB PRO 2 14.219 13.119 9.994 9 HG2 PRO 2 2HG PRO 2 11.610 12.691 10.295 10 HG3 PRO 2 1HG PRO 2 12.595 13.295 11.641 11 HD2 PRO 2 2HD PRO 2 10.666 14.757 9.896 12 HD3 PRO 2 1HD PRO 2 11.016 14.973 11.623 13 H MET 3 H MET 3 15.984 16.181 9.310 14 HA MET 3 HA MET 3 15.236 17.375 6.795 15 HB2 MET 3 2HB MET 3 17.877 17.191 8.250 16 HB3 MET 3 1HB MET 3 17.661 18.035 6.723 17 HG2 MET 3 2HG MET 3 15.697 19.158 8.202 18 HG3 MET 3 1HG MET 3 16.901 18.821 9.444 19 HE1 MET 3 3HE MET 3 17.849 19.979 5.557 20 HE2 MET 3 1HE MET 3 17.248 21.611 5.854 21 HE3 MET 3 2HE MET 3 16.174 20.226 6.049 22 H GLY 4 H GLY 4 15.985 16.814 4.752 23 HA2 GLY 4 2HA GLY 4 16.772 15.448 3.079 24 HA3 GLY 4 1HA GLY 4 17.796 14.674 4.279 25 H SER 5 H SER 5 14.270 14.905 3.784 26 HA SER 5 HA SER 5 13.909 12.172 4.588 27 HB2 SER 5 2HB SER 5 12.132 13.608 5.186 28 HB3 SER 5 1HB SER 5 12.048 14.314 3.572 29 HG SER 5 HG SER 5 10.786 12.140 4.553 30 H MET 6 H MET 6 14.045 10.439 3.336 31 HA MET 6 HA MET 6 13.878 10.802 0.419 32 HB2 MET 6 2HB MET 6 15.963 9.773 1.871 33 HB3 MET 6 1HB MET 6 15.100 8.317 1.396 34 HG2 MET 6 2HG MET 6 15.147 9.617 -0.955 35 HG3 MET 6 1HG MET 6 16.631 10.233 -0.229 36 HE1 MET 6 3HE MET 6 18.321 8.215 -2.439 37 HE2 MET 6 1HE MET 6 19.118 8.187 -0.865 38 HE3 MET 6 2HE MET 6 18.236 9.624 -1.382 39 H ALA 7 H ALA 7 12.548 9.170 3.151 40 HA ALA 7 HA ALA 7 11.113 7.254 1.469 41 HB1 ALA 7 1HB ALA 7 12.252 6.652 3.687 42 HB2 ALA 7 2HB ALA 7 10.619 6.048 3.402 43 HB3 ALA 7 3HB ALA 7 10.873 7.443 4.451 44 H ASP 8 H ASP 8 10.518 10.132 1.377 45 HA ASP 8 HA ASP 8 8.281 10.911 2.796 46 HB2 ASP 8 2HB ASP 8 9.005 11.502 -0.080 47 HB3 ASP 8 1HB ASP 8 7.736 12.338 0.808 48 H LYS 9 H LYS 9 8.557 8.611 0.219 49 HA LYS 9 HA LYS 9 5.724 8.445 -0.289 50 HB2 LYS 9 2HB LYS 9 8.148 6.972 -1.268 51 HB3 LYS 9 1HB LYS 9 6.528 6.431 -1.659 52 HG2 LYS 9 2HG LYS 9 7.574 7.786 -3.423 53 HG3 LYS 9 1HG LYS 9 6.065 8.476 -2.823 54 HD2 LYS 9 2HD LYS 9 7.296 10.044 -1.460 55 HD3 LYS 9 1HD LYS 9 8.826 9.307 -1.937 56 HE2 LYS 9 2HE LYS 9 8.879 10.410 -3.880 57 HE3 LYS 9 1HE LYS 9 7.172 10.114 -4.198 58 HZ1 LYS 9 3HZ LYS 9 6.608 11.942 -2.738 59 HZ2 LYS 9 1HZ LYS 9 7.657 12.477 -3.953 60 HZ3 LYS 9 2HZ LYS 9 8.241 12.213 -2.388 61 H ILE 10 H ILE 10 4.571 6.414 -0.105 62 HA ILE 10 HA ILE 10 5.463 4.879 2.248 63 HB ILE 10 HB ILE 10 2.651 4.544 1.476 64 HG12 ILE 10 2HG1 ILE 10 3.525 7.152 2.726 65 HG13 ILE 10 1HG1 ILE 10 2.995 6.971 1.058 66 HG21 ILE 10 1HG2 ILE 10 2.341 4.218 3.721 67 HG22 ILE 10 2HG2 ILE 10 3.606 5.360 4.175 68 HG23 ILE 10 3HG2 ILE 10 4.038 3.764 3.558 69 HD11 ILE 10 3HD1 ILE 10 1.249 6.082 3.305 70 HD12 ILE 10 1HD1 ILE 10 0.804 6.560 1.667 71 HD13 ILE 10 2HD1 ILE 10 1.317 7.782 2.833 72 H LYS 11 H LYS 11 5.661 2.766 2.077 73 HA LYS 11 HA LYS 11 5.230 1.606 -0.582 74 HB2 LYS 11 2HB LYS 11 7.037 0.506 1.569 75 HB3 LYS 11 1HB LYS 11 7.037 0.130 -0.150 76 HG2 LYS 11 2HG LYS 11 8.321 1.886 -0.668 77 HG3 LYS 11 1HG LYS 11 7.461 2.981 0.424 78 HD2 LYS 11 2HD LYS 11 9.412 2.911 1.563 79 HD3 LYS 11 1HD LYS 11 8.736 1.418 2.214 80 HE2 LYS 11 2HE LYS 11 10.411 0.250 1.338 81 HE3 LYS 11 1HE LYS 11 10.011 0.845 -0.273 82 HZ1 LYS 11 3HZ LYS 11 11.722 2.274 1.690 83 HZ2 LYS 11 1HZ LYS 11 11.391 2.767 0.105 84 HZ3 LYS 11 2HZ LYS 11 12.297 1.367 0.384 85 H CYS 12 H CYS 12 3.155 0.895 -0.455 86 HA CYS 12 HA CYS 12 2.619 -1.183 1.552 87 HB2 CYS 12 2HB CYS 12 1.379 1.130 1.652 88 HB3 CYS 12 1HB CYS 12 0.416 0.455 0.344 89 HG CYS 12 HG CYS 12 -0.574 -1.234 1.955 90 H SER 13 H SER 13 0.507 -2.435 0.724 91 HA SER 13 HA SER 13 0.950 -3.131 -2.099 92 HB2 SER 13 2HB SER 13 0.991 -5.385 -1.640 93 HB3 SER 13 1HB SER 13 1.668 -4.787 -0.126 94 HG SER 13 HG SER 13 -0.676 -4.752 0.542 95 H HIS 14 H HIS 14 -0.986 -4.175 -3.129 96 HA HIS 14 HA HIS 14 -3.489 -3.355 -1.836 97 HB2 HIS 14 2HB HIS 14 -4.318 -2.260 -3.763 98 HB3 HIS 14 1HB HIS 14 -2.683 -1.651 -3.532 99 HD1 HIS 14 1HD HIS 14 -0.834 -3.078 -5.073 100 HD2 HIS 14 2HD HIS 14 -4.801 -2.999 -6.309 101 HE1 HIS 14 1HE HIS 14 -0.791 -3.682 -7.514 102 HE2 HIS 14 2HE HIS 14 -3.211 -3.719 -8.216 103 H ILE 15 H ILE 15 -5.376 -4.374 -2.526 104 HA ILE 15 HA ILE 15 -5.265 -6.617 -4.330 105 HB ILE 15 HB ILE 15 -5.515 -7.009 -1.354 106 HG12 ILE 15 2HG1 ILE 15 -4.054 -9.071 -2.293 107 HG13 ILE 15 1HG1 ILE 15 -3.676 -7.870 -3.511 108 HG21 ILE 15 1HG2 ILE 15 -7.141 -8.497 -1.639 109 HG22 ILE 15 2HG2 ILE 15 -5.992 -9.487 -2.538 110 HG23 ILE 15 3HG2 ILE 15 -7.043 -8.361 -3.395 111 HD11 ILE 15 3HD1 ILE 15 -2.054 -7.287 -2.093 112 HD12 ILE 15 1HD1 ILE 15 -2.851 -8.042 -0.711 113 HD13 ILE 15 2HD1 ILE 15 -3.342 -6.433 -1.241 114 H LEU 16 H LEU 16 -7.149 -6.593 -5.391 115 HA LEU 16 HA LEU 16 -9.466 -5.358 -4.071 116 HB2 LEU 16 2HB LEU 16 -8.360 -4.501 -6.305 117 HB3 LEU 16 1HB LEU 16 -9.343 -5.746 -7.014 118 HG LEU 16 HG LEU 16 -11.362 -4.714 -6.121 119 HD11 LEU 16 1HD1 LEU 16 -10.367 -2.173 -5.326 120 HD12 LEU 16 2HD1 LEU 16 -9.539 -3.415 -4.388 121 HD13 LEU 16 3HD1 LEU 16 -11.301 -3.340 -4.389 122 HD21 LEU 16 3HD2 LEU 16 -9.775 -3.743 -8.180 123 HD22 LEU 16 1HD2 LEU 16 -10.258 -2.304 -7.282 124 HD23 LEU 16 2HD2 LEU 16 -11.485 -3.403 -7.914 125 H VAL 17 H VAL 17 -11.296 -6.470 -3.773 126 HA VAL 17 HA VAL 17 -11.795 -8.877 -5.342 127 HB VAL 17 HB VAL 17 -12.284 -10.266 -3.449 128 HG11 VAL 17 1HG1 VAL 17 -9.712 -9.360 -2.427 129 HG12 VAL 17 2HG1 VAL 17 -9.752 -9.489 -4.183 130 HG13 VAL 17 3HG1 VAL 17 -10.154 -10.885 -3.190 131 HG21 VAL 17 3HG2 VAL 17 -13.137 -8.963 -1.752 132 HG22 VAL 17 1HG2 VAL 17 -11.852 -7.761 -1.882 133 HG23 VAL 17 2HG2 VAL 17 -11.527 -9.323 -1.129 134 H LYS 18 H LYS 18 -13.911 -9.135 -5.840 135 HA LYS 18 HA LYS 18 -15.706 -7.012 -5.180 136 HB2 LYS 18 2HB LYS 18 -17.361 -8.425 -6.501 137 HB3 LYS 18 1HB LYS 18 -15.926 -7.886 -7.362 138 HG2 LYS 18 2HG LYS 18 -15.678 -10.507 -6.065 139 HG3 LYS 18 1HG LYS 18 -16.863 -10.422 -7.370 140 HD2 LYS 18 2HD LYS 18 -14.253 -9.150 -7.904 141 HD3 LYS 18 1HD LYS 18 -14.241 -10.909 -7.756 142 HE2 LYS 18 2HE LYS 18 -16.392 -10.575 -9.347 143 HE3 LYS 18 1HE LYS 18 -15.427 -9.182 -9.833 144 HZ1 LYS 18 3HZ LYS 18 -14.785 -12.046 -10.066 145 HZ2 LYS 18 1HZ LYS 18 -13.540 -10.903 -10.009 146 HZ3 LYS 18 2HZ LYS 18 -14.695 -10.834 -11.242 147 H LYS 19 H LYS 19 -15.337 -10.357 -4.124 148 HA LYS 19 HA LYS 19 -17.792 -10.397 -2.664 149 HB2 LYS 19 2HB LYS 19 -17.192 -12.551 -3.130 150 HB3 LYS 19 1HB LYS 19 -15.473 -12.199 -3.083 151 HG2 LYS 19 2HG LYS 19 -15.399 -12.378 -0.761 152 HG3 LYS 19 1HG LYS 19 -17.153 -12.348 -0.605 153 HD2 LYS 19 2HD LYS 19 -16.515 -14.498 -2.318 154 HD3 LYS 19 1HD LYS 19 -15.402 -14.592 -0.952 155 HE2 LYS 19 2HE LYS 19 -17.056 -15.033 0.539 156 HE3 LYS 19 1HE LYS 19 -18.241 -14.052 -0.320 157 HZ1 LYS 19 3HZ LYS 19 -18.641 -15.773 -1.846 158 HZ2 LYS 19 1HZ LYS 19 -18.617 -16.528 -0.332 159 HZ3 LYS 19 2HZ LYS 19 -17.281 -16.652 -1.361 160 H GLN 20 H GLN 20 -17.548 -8.374 -1.607 161 HA GLN 20 HA GLN 20 -15.538 -7.468 -0.051 162 HB2 GLN 20 2HB GLN 20 -17.287 -6.264 1.290 163 HB3 GLN 20 1HB GLN 20 -17.432 -6.081 -0.452 164 HG2 GLN 20 2HG GLN 20 -19.412 -7.125 -0.531 165 HG3 GLN 20 1HG GLN 20 -18.953 -8.314 0.687 166 HE21 GLN 20 1HE2 GLN 20 -21.458 -7.107 0.597 167 HE22 GLN 20 2HE2 GLN 20 -21.647 -6.113 1.997 168 H GLY 21 H GLY 21 -17.613 -10.136 0.795 169 HA2 GLY 21 2HA GLY 21 -17.128 -10.018 3.592 170 HA3 GLY 21 1HA GLY 21 -17.637 -11.450 2.702 171 H GLU 22 H GLU 22 -15.365 -11.293 0.877 172 HA GLU 22 HA GLU 22 -13.499 -12.800 2.417 173 HB2 GLU 22 2HB GLU 22 -12.333 -13.133 0.393 174 HB3 GLU 22 1HB GLU 22 -14.034 -13.126 -0.025 175 HG2 GLU 22 2HG GLU 22 -13.769 -11.453 -1.433 176 HG3 GLU 22 1HG GLU 22 -12.863 -10.505 -0.257 177 H ALA 23 H ALA 23 -13.658 -9.549 1.141 178 HA ALA 23 HA ALA 23 -11.079 -8.651 1.524 179 HB1 ALA 23 1HB ALA 23 -12.380 -6.426 2.170 180 HB2 ALA 23 2HB ALA 23 -13.753 -7.352 1.567 181 HB3 ALA 23 3HB ALA 23 -12.367 -7.048 0.518 182 H LEU 24 H LEU 24 -13.674 -9.088 3.865 183 HA LEU 24 HA LEU 24 -12.269 -7.915 6.062 184 HB2 LEU 24 2HB LEU 24 -14.857 -8.500 5.640 185 HB3 LEU 24 1HB LEU 24 -14.398 -9.922 6.559 186 HG LEU 24 HG LEU 24 -15.369 -8.109 7.948 187 HD11 LEU 24 1HD1 LEU 24 -14.113 -8.722 9.705 188 HD12 LEU 24 2HD1 LEU 24 -12.606 -8.236 8.931 189 HD13 LEU 24 3HD1 LEU 24 -13.336 -9.791 8.537 190 HD21 LEU 24 3HD2 LEU 24 -14.591 -6.006 7.983 191 HD22 LEU 24 1HD2 LEU 24 -13.864 -6.424 6.430 192 HD23 LEU 24 2HD2 LEU 24 -12.906 -6.524 7.907 193 H ALA 25 H ALA 25 -12.469 -11.095 4.650 194 HA ALA 25 HA ALA 25 -11.206 -12.389 6.913 195 HB1 ALA 25 1HB ALA 25 -12.699 -13.799 5.811 196 HB2 ALA 25 2HB ALA 25 -11.125 -14.339 5.226 197 HB3 ALA 25 3HB ALA 25 -12.136 -13.308 4.213 198 H VAL 26 H VAL 26 -10.319 -11.760 3.521 199 HA VAL 26 HA VAL 26 -7.770 -12.727 3.469 200 HB VAL 26 HB VAL 26 -7.291 -11.314 1.641 201 HG11 VAL 26 1HG1 VAL 26 -8.893 -12.096 0.299 202 HG12 VAL 26 2HG1 VAL 26 -10.159 -11.203 1.140 203 HG13 VAL 26 3HG1 VAL 26 -9.616 -12.760 1.763 204 HG21 VAL 26 3HG2 VAL 26 -8.612 -9.271 1.142 205 HG22 VAL 26 1HG2 VAL 26 -7.673 -9.156 2.631 206 HG23 VAL 26 2HG2 VAL 26 -9.411 -9.451 2.703 207 H GLN 27 H GLN 27 -8.851 -9.658 4.857 208 HA GLN 27 HA GLN 27 -6.308 -8.552 5.282 209 HB2 GLN 27 2HB GLN 27 -7.345 -7.035 6.810 210 HB3 GLN 27 1HB GLN 27 -8.502 -7.335 5.521 211 HG2 GLN 27 2HG GLN 27 -9.846 -8.662 6.891 212 HG3 GLN 27 1HG GLN 27 -8.596 -8.826 8.118 213 HE21 GLN 27 1HE2 GLN 27 -9.634 -5.908 6.442 214 HE22 GLN 27 2HE2 GLN 27 -10.198 -5.082 7.851 215 H GLU 28 H GLU 28 -8.337 -10.579 7.364 216 HA GLU 28 HA GLU 28 -6.382 -10.789 9.437 217 HB2 GLU 28 2HB GLU 28 -7.904 -12.246 10.516 218 HB3 GLU 28 1HB GLU 28 -8.900 -11.061 9.684 219 HG2 GLU 28 2HG GLU 28 -9.702 -12.576 8.178 220 HG3 GLU 28 1HG GLU 28 -8.288 -13.618 8.297 221 H ARG 29 H ARG 29 -7.135 -12.518 6.534 222 HA ARG 29 HA ARG 29 -5.636 -14.884 7.158 223 HB2 ARG 29 2HB ARG 29 -7.638 -14.610 5.559 224 HB3 ARG 29 1HB ARG 29 -6.465 -13.992 4.407 225 HG2 ARG 29 2HG ARG 29 -6.804 -16.284 3.935 226 HG3 ARG 29 1HG ARG 29 -5.203 -16.131 4.667 227 HD2 ARG 29 2HD ARG 29 -6.313 -16.708 6.871 228 HD3 ARG 29 1HD ARG 29 -7.739 -17.145 5.932 229 HE ARG 29 HE ARG 29 -5.294 -18.638 6.172 230 HH11 ARG 29 1HH1 ARG 29 -8.107 -18.054 4.192 231 HH12 ARG 29 2HH1 ARG 29 -8.031 -19.598 3.411 232 HH21 ARG 29 1HH2 ARG 29 -5.191 -20.667 5.145 233 HH22 ARG 29 2HH2 ARG 29 -6.377 -21.081 3.952 234 H LEU 30 H LEU 30 -5.042 -11.904 5.403 235 HA LEU 30 HA LEU 30 -2.771 -12.543 3.979 236 HB2 LEU 30 2HB LEU 30 -4.123 -10.378 4.015 237 HB3 LEU 30 1HB LEU 30 -3.141 -9.909 5.386 238 HG LEU 30 HG LEU 30 -2.297 -8.910 3.338 239 HD11 LEU 30 1HD1 LEU 30 -0.264 -11.000 3.891 240 HD12 LEU 30 2HD1 LEU 30 -0.798 -9.982 5.231 241 HD13 LEU 30 3HD1 LEU 30 -0.091 -9.248 3.791 242 HD21 LEU 30 3HD2 LEU 30 -1.341 -11.421 2.164 243 HD22 LEU 30 1HD2 LEU 30 -2.020 -9.990 1.392 244 HD23 LEU 30 2HD2 LEU 30 -3.090 -11.198 2.099 245 H LYS 31 H LYS 31 -2.819 -11.050 7.226 246 HA LYS 31 HA LYS 31 -0.026 -11.443 7.622 247 HB2 LYS 31 2HB LYS 31 -0.402 -10.643 9.868 248 HB3 LYS 31 1HB LYS 31 -1.330 -9.661 8.746 249 HG2 LYS 31 2HG LYS 31 -2.833 -11.926 9.786 250 HG3 LYS 31 1HG LYS 31 -2.279 -10.818 11.043 251 HD2 LYS 31 2HD LYS 31 -3.233 -9.195 8.965 252 HD3 LYS 31 1HD LYS 31 -4.406 -10.502 9.130 253 HE2 LYS 31 2HE LYS 31 -4.613 -10.034 11.512 254 HE3 LYS 31 1HE LYS 31 -3.402 -8.760 11.379 255 HZ1 LYS 31 3HZ LYS 31 -5.799 -8.034 11.367 256 HZ2 LYS 31 1HZ LYS 31 -5.924 -8.720 9.826 257 HZ3 LYS 31 2HZ LYS 31 -4.848 -7.445 10.099 258 H ALA 32 H ALA 32 -2.607 -13.582 7.707 259 HA ALA 32 HA ALA 32 -2.048 -15.221 9.893 260 HB1 ALA 32 1HB ALA 32 -4.053 -15.270 8.309 261 HB2 ALA 32 2HB ALA 32 -3.442 -16.818 8.891 262 HB3 ALA 32 3HB ALA 32 -3.045 -16.268 7.261 263 H GLY 33 H GLY 33 -0.406 -14.843 6.875 264 HA2 GLY 33 2HA GLY 33 1.978 -15.850 7.382 265 HA3 GLY 33 1HA GLY 33 1.052 -17.327 7.174 266 H GLU 34 H GLU 34 -0.629 -15.674 5.161 267 HA GLU 34 HA GLU 34 0.873 -16.527 2.861 268 HB2 GLU 34 2HB GLU 34 -1.070 -15.768 1.569 269 HB3 GLU 34 1HB GLU 34 -1.546 -16.810 2.901 270 HG2 GLU 34 2HG GLU 34 -2.069 -14.744 4.211 271 HG3 GLU 34 1HG GLU 34 -1.792 -13.820 2.737 272 H LYS 35 H LYS 35 1.353 -15.153 1.039 273 HA LYS 35 HA LYS 35 2.321 -12.535 1.922 274 HB2 LYS 35 2HB LYS 35 3.921 -14.131 0.887 275 HB3 LYS 35 1HB LYS 35 2.983 -14.065 -0.599 276 HG2 LYS 35 2HG LYS 35 3.441 -11.433 -0.176 277 HG3 LYS 35 1HG LYS 35 4.902 -12.144 0.515 278 HD2 LYS 35 2HD LYS 35 3.836 -12.710 -2.250 279 HD3 LYS 35 1HD LYS 35 5.147 -11.588 -1.880 280 HE2 LYS 35 2HE LYS 35 6.555 -13.336 -1.131 281 HE3 LYS 35 1HE LYS 35 5.221 -14.488 -1.088 282 HZ1 LYS 35 3HZ LYS 35 6.557 -14.905 -3.010 283 HZ2 LYS 35 1HZ LYS 35 6.451 -13.291 -3.509 284 HZ3 LYS 35 2HZ LYS 35 5.075 -14.275 -3.527 285 H PHE 36 H PHE 36 1.745 -10.639 0.983 286 HA PHE 36 HA PHE 36 -0.773 -10.313 -0.093 287 HB2 PHE 36 2HB PHE 36 0.222 -8.087 -0.990 288 HB3 PHE 36 1HB PHE 36 0.181 -8.360 0.748 289 HD1 PHE 36 1HD PHE 36 2.417 -8.764 -2.201 290 HD2 PHE 36 2HD PHE 36 2.106 -8.075 1.986 291 HE1 PHE 36 1HE PHE 36 4.844 -8.372 -2.089 292 HE2 PHE 36 2HE PHE 36 4.532 -7.680 2.107 293 HZ PHE 36 HZ PHE 36 5.904 -7.828 0.067 294 H GLY 37 H GLY 37 2.241 -11.018 -1.713 295 HA2 GLY 37 2HA GLY 37 1.469 -10.402 -4.348 296 HA3 GLY 37 1HA GLY 37 2.726 -11.542 -3.892 297 H LYS 38 H LYS 38 0.966 -13.251 -2.362 298 HA LYS 38 HA LYS 38 0.116 -14.977 -4.431 299 HB2 LYS 38 2HB LYS 38 -0.729 -15.080 -1.532 300 HB3 LYS 38 1HB LYS 38 -0.704 -16.412 -2.681 301 HG2 LYS 38 2HG LYS 38 1.900 -15.204 -2.469 302 HG3 LYS 38 1HG LYS 38 1.296 -15.685 -0.882 303 HD2 LYS 38 2HD LYS 38 0.641 -17.839 -2.459 304 HD3 LYS 38 1HD LYS 38 2.191 -17.325 -3.127 305 HE2 LYS 38 2HE LYS 38 2.601 -17.197 -0.405 306 HE3 LYS 38 1HE LYS 38 1.582 -18.625 -0.592 307 HZ1 LYS 38 3HZ LYS 38 4.171 -18.107 -1.952 308 HZ2 LYS 38 1HZ LYS 38 3.170 -19.436 -2.270 309 HZ3 LYS 38 2HZ LYS 38 3.875 -19.254 -0.743 310 H LEU 39 H LEU 39 -1.755 -13.090 -2.053 311 HA LEU 39 HA LEU 39 -4.300 -13.710 -2.936 312 HB2 LEU 39 2HB LEU 39 -3.286 -11.118 -1.780 313 HB3 LEU 39 1HB LEU 39 -4.976 -11.501 -1.993 314 HG LEU 39 HG LEU 39 -4.527 -11.884 0.284 315 HD11 LEU 39 1HD1 LEU 39 -4.722 -14.365 0.531 316 HD12 LEU 39 2HD1 LEU 39 -4.491 -14.490 -1.212 317 HD13 LEU 39 3HD1 LEU 39 -5.886 -13.626 -0.566 318 HD21 LEU 39 3HD2 LEU 39 -2.661 -12.908 1.202 319 HD22 LEU 39 1HD2 LEU 39 -1.990 -12.002 -0.153 320 HD23 LEU 39 2HD2 LEU 39 -2.255 -13.740 -0.296 321 H ALA 40 H ALA 40 -1.950 -11.463 -4.226 322 HA ALA 40 HA ALA 40 -3.496 -9.847 -5.834 323 HB1 ALA 40 1HB ALA 40 -0.809 -11.004 -6.561 324 HB2 ALA 40 2HB ALA 40 -1.064 -9.609 -5.512 325 HB3 ALA 40 3HB ALA 40 -1.534 -9.533 -7.212 326 H LYS 41 H LYS 41 -2.020 -12.949 -6.726 327 HA LYS 41 HA LYS 41 -3.591 -13.088 -9.154 328 HB2 LYS 41 2HB LYS 41 -1.777 -15.228 -8.055 329 HB3 LYS 41 1HB LYS 41 -2.291 -14.996 -9.719 330 HG2 LYS 41 2HG LYS 41 -1.052 -12.636 -9.231 331 HG3 LYS 41 1HG LYS 41 -0.109 -13.734 -8.221 332 HD2 LYS 41 2HD LYS 41 -0.595 -14.952 -10.772 333 HD3 LYS 41 1HD LYS 41 0.082 -13.340 -11.006 334 HE2 LYS 41 2HE LYS 41 2.046 -14.413 -10.743 335 HE3 LYS 41 1HE LYS 41 1.673 -14.244 -9.028 336 HZ1 LYS 41 3HZ LYS 41 1.013 -16.619 -10.684 337 HZ2 LYS 41 1HZ LYS 41 0.750 -16.455 -9.020 338 HZ3 LYS 41 2HZ LYS 41 2.328 -16.509 -9.626 339 H GLU 42 H GLU 42 -3.723 -14.273 -5.908 340 HA GLU 42 HA GLU 42 -5.290 -16.580 -6.397 341 HB2 GLU 42 2HB GLU 42 -4.111 -15.260 -4.157 342 HB3 GLU 42 1HB GLU 42 -5.771 -15.656 -3.767 343 HG2 GLU 42 2HG GLU 42 -3.854 -17.656 -4.911 344 HG3 GLU 42 1HG GLU 42 -4.031 -17.379 -3.180 345 H LEU 43 H LEU 43 -6.418 -13.624 -4.659 346 HA LEU 43 HA LEU 43 -9.032 -14.115 -5.933 347 HB2 LEU 43 2HB LEU 43 -9.949 -12.888 -3.846 348 HB3 LEU 43 1HB LEU 43 -9.541 -14.587 -3.755 349 HG LEU 43 HG LEU 43 -8.859 -13.192 -1.783 350 HD11 LEU 43 1HD1 LEU 43 -7.568 -15.305 -3.055 351 HD12 LEU 43 2HD1 LEU 43 -7.398 -14.801 -1.374 352 HD13 LEU 43 3HD1 LEU 43 -6.285 -14.185 -2.597 353 HD21 LEU 43 3HD2 LEU 43 -6.508 -12.243 -3.335 354 HD22 LEU 43 1HD2 LEU 43 -7.258 -11.571 -1.890 355 HD23 LEU 43 2HD2 LEU 43 -8.017 -11.341 -3.464 356 H SER 44 H SER 44 -6.521 -11.874 -5.599 357 HA SER 44 HA SER 44 -7.957 -9.455 -5.672 358 HB2 SER 44 2HB SER 44 -5.220 -10.316 -5.980 359 HB3 SER 44 1HB SER 44 -5.598 -9.020 -7.103 360 HG SER 44 HG SER 44 -5.079 -8.825 -4.537 361 H ILE 45 H ILE 45 -8.745 -8.210 -7.299 362 HA ILE 45 HA ILE 45 -8.989 -9.508 -9.931 363 HB ILE 45 HB ILE 45 -10.871 -7.935 -10.310 364 HG12 ILE 45 2HG1 ILE 45 -10.392 -7.192 -7.426 365 HG13 ILE 45 1HG1 ILE 45 -10.066 -6.157 -8.803 366 HG21 ILE 45 1HG2 ILE 45 -12.455 -9.084 -8.950 367 HG22 ILE 45 2HG2 ILE 45 -11.231 -9.458 -7.736 368 HG23 ILE 45 3HG2 ILE 45 -11.163 -10.225 -9.323 369 HD11 ILE 45 3HD1 ILE 45 -12.725 -7.093 -7.782 370 HD12 ILE 45 1HD1 ILE 45 -12.507 -6.269 -9.328 371 HD13 ILE 45 2HD1 ILE 45 -12.085 -5.448 -7.822 372 H ASP 46 H ASP 46 -7.346 -7.051 -8.328 373 HA ASP 46 HA ASP 46 -7.223 -4.889 -9.977 374 HB2 ASP 46 2HB ASP 46 -4.978 -4.492 -9.136 375 HB3 ASP 46 1HB ASP 46 -5.998 -5.110 -7.842 376 H GLY 47 H GLY 47 -6.405 -4.360 -11.905 377 HA2 GLY 47 2HA GLY 47 -5.862 -6.344 -13.817 378 HA3 GLY 47 1HA GLY 47 -5.585 -4.623 -14.029 379 H GLY 48 H GLY 48 -3.845 -5.894 -15.322 380 HA2 GLY 48 2HA GLY 48 -1.723 -7.200 -14.941 381 HA3 GLY 48 1HA GLY 48 -1.473 -5.544 -15.446 382 H SER 49 H SER 49 -1.989 -4.217 -13.000 383 HA SER 49 HA SER 49 0.477 -4.269 -11.770 384 HB2 SER 49 2HB SER 49 -1.552 -2.614 -11.546 385 HB3 SER 49 1HB SER 49 -1.934 -3.593 -10.129 386 HG SER 49 HG SER 49 0.428 -2.116 -10.648 387 H ALA 50 H ALA 50 -2.029 -6.581 -11.440 388 HA ALA 50 HA ALA 50 -1.431 -7.498 -8.809 389 HB1 ALA 50 1HB ALA 50 -3.125 -8.956 -9.113 390 HB2 ALA 50 2HB ALA 50 -2.560 -9.438 -10.714 391 HB3 ALA 50 3HB ALA 50 -3.480 -7.947 -10.515 392 H LYS 51 H LYS 51 -0.001 -7.865 -11.885 393 HA LYS 51 HA LYS 51 1.329 -10.350 -11.452 394 HB2 LYS 51 2HB LYS 51 1.401 -8.145 -13.455 395 HB3 LYS 51 1HB LYS 51 2.751 -9.250 -13.388 396 HG2 LYS 51 2HG LYS 51 -0.099 -10.138 -13.679 397 HG3 LYS 51 1HG LYS 51 0.970 -9.827 -15.043 398 HD2 LYS 51 2HD LYS 51 1.981 -11.805 -14.812 399 HD3 LYS 51 1HD LYS 51 2.209 -11.561 -13.078 400 HE2 LYS 51 2HE LYS 51 0.763 -13.265 -12.874 401 HE3 LYS 51 1HE LYS 51 -0.460 -12.038 -13.197 402 HZ1 LYS 51 3HZ LYS 51 -0.845 -12.837 -15.255 403 HZ2 LYS 51 1HZ LYS 51 -0.254 -14.276 -14.592 404 HZ3 LYS 51 2HZ LYS 51 0.760 -13.292 -15.522 405 H ARG 52 H ARG 52 1.696 -7.296 -10.214 406 HA ARG 52 HA ARG 52 4.575 -7.546 -9.777 407 HB2 ARG 52 2HB ARG 52 3.118 -5.131 -8.866 408 HB3 ARG 52 1HB ARG 52 4.688 -5.277 -9.624 409 HG2 ARG 52 2HG ARG 52 2.234 -5.769 -11.241 410 HG3 ARG 52 1HG ARG 52 2.748 -4.120 -10.887 411 HD2 ARG 52 2HD ARG 52 5.086 -5.293 -11.676 412 HD3 ARG 52 1HD ARG 52 3.902 -6.106 -12.699 413 HE ARG 52 HE ARG 52 3.232 -3.508 -12.961 414 HH11 ARG 52 1HH1 ARG 52 6.261 -5.212 -13.281 415 HH12 ARG 52 2HH1 ARG 52 6.897 -4.114 -14.458 416 HH21 ARG 52 1HH2 ARG 52 4.068 -2.062 -14.509 417 HH22 ARG 52 2HH2 ARG 52 5.654 -2.325 -15.155 418 H ASP 53 H ASP 53 2.400 -9.062 -8.395 419 HA ASP 53 HA ASP 53 1.794 -9.752 -6.327 420 HB2 ASP 53 2HB ASP 53 3.526 -9.934 -4.701 421 HB3 ASP 53 1HB ASP 53 4.297 -10.083 -6.274 422 H GLY 54 H GLY 54 0.855 -7.181 -7.120 423 HA2 GLY 54 2HA GLY 54 -0.244 -5.369 -6.248 424 HA3 GLY 54 1HA GLY 54 -0.314 -6.290 -4.754 425 H SER 55 H SER 55 2.791 -5.574 -6.066 426 HA SER 55 HA SER 55 3.568 -4.153 -3.733 427 HB2 SER 55 2HB SER 55 5.734 -4.008 -4.732 428 HB3 SER 55 1HB SER 55 5.076 -5.585 -5.163 429 HG SER 55 HG SER 55 5.065 -5.021 -7.192 430 H LEU 56 H LEU 56 2.167 -2.365 -3.612 431 HA LEU 56 HA LEU 56 1.778 -0.469 -5.641 432 HB2 LEU 56 2HB LEU 56 1.689 -0.174 -2.641 433 HB3 LEU 56 1HB LEU 56 1.182 1.077 -3.746 434 HG LEU 56 HG LEU 56 -0.077 -1.636 -3.373 435 HD11 LEU 56 1HD1 LEU 56 -2.041 0.192 -3.097 436 HD12 LEU 56 2HD1 LEU 56 -0.665 1.100 -2.471 437 HD13 LEU 56 3HD1 LEU 56 -1.096 -0.453 -1.756 438 HD21 LEU 56 3HD2 LEU 56 -0.515 0.459 -5.482 439 HD22 LEU 56 1HD2 LEU 56 -1.765 -0.704 -5.038 440 HD23 LEU 56 2HD2 LEU 56 -0.226 -1.270 -5.687 441 H GLY 57 H GLY 57 4.315 -0.893 -3.277 442 HA2 GLY 57 2HA GLY 57 6.435 -0.007 -3.189 443 HA3 GLY 57 1HA GLY 57 6.146 0.682 -4.776 444 H TYR 58 H TYR 58 7.475 2.426 -3.784 445 HA TYR 58 HA TYR 58 6.403 4.021 -1.697 446 HB2 TYR 58 2HB TYR 58 8.143 5.511 -3.500 447 HB3 TYR 58 1HB TYR 58 8.340 5.150 -1.795 448 HD1 TYR 58 1HD TYR 58 9.068 4.014 -5.210 449 HD2 TYR 58 2HD TYR 58 9.673 3.274 -1.064 450 HE1 TYR 58 1HE TYR 58 10.881 2.445 -5.759 451 HE2 TYR 58 2HE TYR 58 11.487 1.706 -1.602 452 HH TYR 58 HH TYR 58 13.085 1.317 -3.492 453 H PHE 59 H PHE 59 4.748 5.317 -1.745 454 HA PHE 59 HA PHE 59 4.230 6.899 -4.146 455 HB2 PHE 59 2HB PHE 59 1.730 6.619 -3.625 456 HB3 PHE 59 1HB PHE 59 2.553 5.306 -4.449 457 HD1 PHE 59 1HD PHE 59 1.287 6.444 -1.177 458 HD2 PHE 59 2HD PHE 59 2.627 3.146 -3.504 459 HE1 PHE 59 1HE PHE 59 0.500 4.900 0.569 460 HE2 PHE 59 2HE PHE 59 1.845 1.595 -1.762 461 HZ PHE 59 HZ PHE 59 0.779 2.473 0.277 462 H GLY 60 H GLY 60 3.737 8.953 -3.738 463 HA2 GLY 60 2HA GLY 60 3.989 9.830 -0.986 464 HA3 GLY 60 1HA GLY 60 3.952 10.861 -2.402 465 H ARG 61 H ARG 61 2.555 12.031 -0.699 466 HA ARG 61 HA ARG 61 -0.155 11.013 -0.516 467 HB2 ARG 61 2HB ARG 61 -0.518 13.116 0.836 468 HB3 ARG 61 1HB ARG 61 0.653 11.984 1.500 469 HG2 ARG 61 2HG ARG 61 2.398 13.392 1.196 470 HG3 ARG 61 1HG ARG 61 1.708 14.110 -0.260 471 HD2 ARG 61 2HD ARG 61 0.220 15.462 1.019 472 HD3 ARG 61 1HD ARG 61 0.619 14.599 2.504 473 HE ARG 61 HE ARG 61 2.031 16.789 1.380 474 HH11 ARG 61 1HH1 ARG 61 2.497 13.816 3.146 475 HH12 ARG 61 2HH1 ARG 61 3.966 14.345 3.894 476 HH21 ARG 61 1HH2 ARG 61 3.965 17.486 2.362 477 HH22 ARG 61 2HH2 ARG 61 4.799 16.426 3.450 478 H GLY 62 H GLY 62 -0.856 11.137 -2.645 479 HA2 GLY 62 2HA GLY 62 -2.387 13.069 -3.537 480 HA3 GLY 62 1HA GLY 62 -0.827 13.757 -3.937 481 H LYS 63 H LYS 63 -1.691 10.336 -4.120 482 HA LYS 63 HA LYS 63 -1.870 10.489 -7.024 483 HB2 LYS 63 2HB LYS 63 0.567 10.119 -6.210 484 HB3 LYS 63 1HB LYS 63 0.024 8.490 -5.832 485 HG2 LYS 63 2HG LYS 63 0.948 8.308 -7.959 486 HG3 LYS 63 1HG LYS 63 -0.790 8.393 -8.253 487 HD2 LYS 63 2HD LYS 63 -0.511 10.857 -8.631 488 HD3 LYS 63 1HD LYS 63 1.236 10.605 -8.556 489 HE2 LYS 63 2HE LYS 63 0.508 8.704 -10.350 490 HE3 LYS 63 1HE LYS 63 -0.686 9.957 -10.686 491 HZ1 LYS 63 3HZ LYS 63 0.875 11.363 -11.478 492 HZ2 LYS 63 1HZ LYS 63 1.708 9.923 -11.797 493 HZ3 LYS 63 2HZ LYS 63 2.080 10.828 -10.417 494 H MET 64 H MET 64 -3.249 9.444 -4.313 495 HA MET 64 HA MET 64 -4.500 7.176 -5.659 496 HB2 MET 64 2HB MET 64 -3.515 7.091 -2.805 497 HB3 MET 64 1HB MET 64 -4.415 5.830 -3.624 498 HG2 MET 64 2HG MET 64 -2.517 4.928 -4.295 499 HG3 MET 64 1HG MET 64 -2.177 6.383 -5.230 500 HE1 MET 64 3HE MET 64 -1.310 4.564 -1.640 501 HE2 MET 64 1HE MET 64 -2.619 5.740 -1.536 502 HE3 MET 64 2HE MET 64 -1.057 6.094 -0.799 503 H VAL 65 H VAL 65 -6.439 6.414 -4.241 504 HA VAL 65 HA VAL 65 -8.186 8.634 -3.977 505 HB VAL 65 HB VAL 65 -9.867 7.031 -3.253 506 HG11 VAL 65 1HG1 VAL 65 -8.098 6.309 -5.554 507 HG12 VAL 65 2HG1 VAL 65 -9.713 7.020 -5.562 508 HG13 VAL 65 3HG1 VAL 65 -9.503 5.313 -5.170 509 HG21 VAL 65 3HG2 VAL 65 -8.165 4.658 -3.453 510 HG22 VAL 65 1HG2 VAL 65 -9.433 5.051 -2.291 511 HG23 VAL 65 2HG2 VAL 65 -7.805 5.686 -2.067 512 H LYS 66 H LYS 66 -9.316 9.325 -2.076 513 HA LYS 66 HA LYS 66 -7.652 9.905 0.084 514 HB2 LYS 66 2HB LYS 66 -10.352 10.482 -0.718 515 HB3 LYS 66 1HB LYS 66 -10.305 10.137 1.005 516 HG2 LYS 66 2HG LYS 66 -8.122 11.835 0.440 517 HG3 LYS 66 1HG LYS 66 -9.536 12.507 -0.372 518 HD2 LYS 66 2HD LYS 66 -9.365 11.749 2.544 519 HD3 LYS 66 1HD LYS 66 -9.308 13.390 1.898 520 HE2 LYS 66 2HE LYS 66 -11.596 12.476 0.771 521 HE3 LYS 66 1HE LYS 66 -11.597 11.582 2.292 522 HZ1 LYS 66 3HZ LYS 66 -11.939 14.424 1.812 523 HZ2 LYS 66 1HZ LYS 66 -10.982 14.024 3.150 524 HZ3 LYS 66 2HZ LYS 66 -12.570 13.449 3.044 525 HA PRO 67 HA PRO 67 -10.111 6.567 2.629 526 HB2 PRO 67 2HB PRO 67 -10.950 4.439 1.088 527 HB3 PRO 67 1HB PRO 67 -11.993 5.722 1.669 528 HG2 PRO 67 2HG PRO 67 -10.810 5.296 -1.012 529 HG3 PRO 67 1HG PRO 67 -12.347 6.053 -0.568 530 HD2 PRO 67 2HD PRO 67 -10.135 7.442 -1.355 531 HD3 PRO 67 1HD PRO 67 -11.386 8.106 -0.301 532 H PHE 68 H PHE 68 -8.532 5.453 -0.321 533 HA PHE 68 HA PHE 68 -7.179 3.282 0.975 534 HB2 PHE 68 2HB PHE 68 -7.796 3.457 -1.505 535 HB3 PHE 68 1HB PHE 68 -6.389 4.501 -1.664 536 HD1 PHE 68 1HD PHE 68 -4.149 3.620 -1.430 537 HD2 PHE 68 2HD PHE 68 -7.558 1.091 -1.112 538 HE1 PHE 68 1HE PHE 68 -2.707 1.648 -1.702 539 HE2 PHE 68 2HE PHE 68 -6.121 -0.887 -1.381 540 HZ PHE 68 HZ PHE 68 -3.691 -0.610 -1.677 541 H GLU 69 H GLU 69 -6.106 6.423 -0.325 542 HA GLU 69 HA GLU 69 -3.426 6.238 0.416 543 HB2 GLU 69 2HB GLU 69 -4.654 8.013 -1.018 544 HB3 GLU 69 1HB GLU 69 -4.940 8.832 0.510 545 HG2 GLU 69 2HG GLU 69 -2.234 8.242 0.552 546 HG3 GLU 69 1HG GLU 69 -2.554 8.715 -1.117 547 H ASP 70 H ASP 70 -6.257 7.077 2.278 548 HA ASP 70 HA ASP 70 -4.972 8.224 4.506 549 HB2 ASP 70 2HB ASP 70 -7.398 8.413 4.069 550 HB3 ASP 70 1HB ASP 70 -7.583 6.699 4.429 551 H ALA 71 H ALA 71 -6.114 4.895 3.956 552 HA ALA 71 HA ALA 71 -5.005 3.926 6.409 553 HB1 ALA 71 1HB ALA 71 -6.499 2.792 4.137 554 HB2 ALA 71 2HB ALA 71 -6.704 2.548 5.872 555 HB3 ALA 71 3HB ALA 71 -5.444 1.673 5.002 556 H ALA 72 H ALA 72 -3.614 4.709 3.447 557 HA ALA 72 HA ALA 72 -1.702 2.654 3.154 558 HB1 ALA 72 1HB ALA 72 -2.444 4.770 1.648 559 HB2 ALA 72 2HB ALA 72 -0.976 3.831 1.380 560 HB3 ALA 72 3HB ALA 72 -0.900 5.345 2.280 561 H PHE 73 H PHE 73 -1.454 5.866 4.674 562 HA PHE 73 HA PHE 73 1.156 5.160 5.768 563 HB2 PHE 73 2HB PHE 73 1.054 7.563 6.626 564 HB3 PHE 73 1HB PHE 73 1.126 7.347 4.881 565 HD1 PHE 73 1HD PHE 73 -1.335 7.779 7.641 566 HD2 PHE 73 2HD PHE 73 -0.394 8.454 3.547 567 HE1 PHE 73 1HE PHE 73 -3.381 9.122 7.396 568 HE2 PHE 73 2HE PHE 73 -2.439 9.797 3.293 569 HZ PHE 73 HZ PHE 73 -3.936 10.131 5.220 570 H ARG 74 H ARG 74 -1.624 4.149 6.702 571 HA ARG 74 HA ARG 74 -1.548 5.058 9.476 572 HB2 ARG 74 2HB ARG 74 -3.680 4.765 7.963 573 HB3 ARG 74 1HB ARG 74 -3.548 3.085 8.458 574 HG2 ARG 74 2HG ARG 74 -3.947 3.581 10.695 575 HG3 ARG 74 1HG ARG 74 -3.544 5.286 10.484 576 HD2 ARG 74 2HD ARG 74 -5.802 4.279 8.876 577 HD3 ARG 74 1HD ARG 74 -6.064 4.344 10.619 578 HE ARG 74 HE ARG 74 -6.021 6.539 8.840 579 HH11 ARG 74 1HH1 ARG 74 -5.006 5.610 12.048 580 HH12 ARG 74 2HH1 ARG 74 -5.083 7.222 12.674 581 HH21 ARG 74 1HH2 ARG 74 -6.124 8.661 9.664 582 HH22 ARG 74 2HH2 ARG 74 -5.719 8.953 11.322 583 H LEU 75 H LEU 75 -0.966 2.214 7.517 584 HA LEU 75 HA LEU 75 -0.401 0.651 9.940 585 HB2 LEU 75 2HB LEU 75 -0.314 -0.576 7.236 586 HB3 LEU 75 1HB LEU 75 -0.802 -1.279 8.756 587 HG LEU 75 HG LEU 75 -2.413 0.428 6.899 588 HD11 LEU 75 1HD1 LEU 75 -2.485 -2.321 8.039 589 HD12 LEU 75 2HD1 LEU 75 -2.659 -1.796 6.364 590 HD13 LEU 75 3HD1 LEU 75 -3.981 -1.555 7.507 591 HD21 LEU 75 3HD2 LEU 75 -3.718 -0.372 9.395 592 HD22 LEU 75 1HD2 LEU 75 -3.809 1.147 8.507 593 HD23 LEU 75 2HD2 LEU 75 -2.470 0.851 9.614 594 H GLN 76 H GLN 76 1.526 2.414 9.734 595 HA GLN 76 HA GLN 76 3.649 1.882 7.983 596 HB2 GLN 76 2HB GLN 76 3.440 3.179 10.675 597 HB3 GLN 76 1HB GLN 76 5.030 2.853 9.999 598 HG2 GLN 76 2HG GLN 76 3.958 4.048 7.888 599 HG3 GLN 76 1HG GLN 76 2.957 4.787 9.138 600 HE21 GLN 76 1HE2 GLN 76 4.805 6.144 7.474 601 HE22 GLN 76 2HE2 GLN 76 6.035 6.812 8.487 602 H VAL 77 H VAL 77 2.473 0.189 10.716 603 HA VAL 77 HA VAL 77 4.830 -1.234 11.422 604 HB VAL 77 HB VAL 77 3.423 -1.518 13.172 605 HG11 VAL 77 1HG1 VAL 77 1.178 -1.251 11.202 606 HG12 VAL 77 2HG1 VAL 77 1.636 -0.165 12.513 607 HG13 VAL 77 3HG1 VAL 77 0.891 -1.721 12.877 608 HG21 VAL 77 3HG2 VAL 77 2.060 -3.685 11.604 609 HG22 VAL 77 1HG2 VAL 77 2.478 -3.652 13.318 610 HG23 VAL 77 2HG2 VAL 77 3.747 -3.825 12.107 611 H GLY 78 H GLY 78 2.375 -1.645 8.990 612 HA2 GLY 78 2HA GLY 78 2.737 -2.919 7.023 613 HA3 GLY 78 1HA GLY 78 3.879 -3.905 7.902 614 H GLU 79 H GLU 79 0.497 -2.989 8.213 615 HA GLU 79 HA GLU 79 -0.202 -5.829 8.413 616 HB2 GLU 79 2HB GLU 79 -1.418 -5.541 10.342 617 HB3 GLU 79 1HB GLU 79 -0.167 -4.332 10.595 618 HG2 GLU 79 2HG GLU 79 -1.619 -2.580 9.910 619 HG3 GLU 79 1HG GLU 79 -2.874 -3.727 9.451 620 H VAL 80 H VAL 80 -2.785 -5.923 8.248 621 HA VAL 80 HA VAL 80 -3.382 -4.557 5.749 622 HB VAL 80 HB VAL 80 -5.131 -6.537 7.215 623 HG11 VAL 80 1HG1 VAL 80 -5.714 -6.824 4.609 624 HG12 VAL 80 2HG1 VAL 80 -5.254 -5.123 4.624 625 HG13 VAL 80 3HG1 VAL 80 -6.554 -5.693 5.668 626 HG21 VAL 80 3HG2 VAL 80 -4.228 -8.199 5.580 627 HG22 VAL 80 1HG2 VAL 80 -3.054 -7.648 6.776 628 HG23 VAL 80 2HG2 VAL 80 -3.002 -7.012 5.131 629 H SER 81 H SER 81 -5.200 -3.193 5.471 630 HA SER 81 HA SER 81 -6.083 -1.948 7.978 631 HB2 SER 81 2HB SER 81 -5.313 -0.917 5.375 632 HB3 SER 81 1HB SER 81 -6.892 -0.305 5.866 633 HG SER 81 HG SER 81 -6.002 0.728 7.514 634 H GLU 82 H GLU 82 -8.282 -1.035 7.997 635 HA GLU 82 HA GLU 82 -10.219 -2.963 7.813 636 HB2 GLU 82 2HB GLU 82 -10.698 0.009 7.568 637 HB3 GLU 82 1HB GLU 82 -11.848 -1.196 8.132 638 HG2 GLU 82 2HG GLU 82 -11.166 -0.693 10.181 639 HG3 GLU 82 1HG GLU 82 -9.683 -1.561 9.792 640 HA PRO 83 HA PRO 83 -11.581 -3.517 3.686 641 HB2 PRO 83 2HB PRO 83 -14.326 -3.279 4.014 642 HB3 PRO 83 1HB PRO 83 -13.396 -4.754 4.291 643 HG2 PRO 83 2HG PRO 83 -14.345 -2.713 6.261 644 HG3 PRO 83 1HG PRO 83 -14.304 -4.482 6.407 645 HD2 PRO 83 2HD PRO 83 -12.467 -2.970 7.613 646 HD3 PRO 83 1HD PRO 83 -12.017 -4.513 6.854 647 H VAL 84 H VAL 84 -10.930 -1.779 2.516 648 HA VAL 84 HA VAL 84 -12.515 0.686 2.669 649 HB VAL 84 HB VAL 84 -9.869 0.187 1.294 650 HG11 VAL 84 1HG1 VAL 84 -11.064 1.904 0.136 651 HG12 VAL 84 2HG1 VAL 84 -9.811 2.671 1.113 652 HG13 VAL 84 3HG1 VAL 84 -11.494 2.701 1.650 653 HG21 VAL 84 3HG2 VAL 84 -9.384 0.154 3.573 654 HG22 VAL 84 1HG2 VAL 84 -10.589 1.385 3.946 655 HG23 VAL 84 2HG2 VAL 84 -9.099 1.833 3.111 656 H LYS 85 H LYS 85 -14.270 0.429 1.404 657 HA LYS 85 HA LYS 85 -13.961 -0.736 -1.258 658 HB2 LYS 85 2HB LYS 85 -15.826 -1.587 -0.010 659 HB3 LYS 85 1HB LYS 85 -16.382 0.033 0.373 660 HG2 LYS 85 2HG LYS 85 -17.777 -0.981 -1.328 661 HG3 LYS 85 1HG LYS 85 -16.919 0.416 -1.975 662 HD2 LYS 85 2HD LYS 85 -15.712 -0.833 -3.418 663 HD3 LYS 85 1HD LYS 85 -15.541 -2.169 -2.277 664 HE2 LYS 85 2HE LYS 85 -16.862 -2.915 -4.138 665 HE3 LYS 85 1HE LYS 85 -17.907 -2.780 -2.725 666 HZ1 LYS 85 3HZ LYS 85 -18.705 -1.838 -4.966 667 HZ2 LYS 85 1HZ LYS 85 -17.679 -0.537 -4.624 668 HZ3 LYS 85 2HZ LYS 85 -18.946 -0.914 -3.569 669 H SER 86 H SER 86 -13.384 0.613 -2.823 670 HA SER 86 HA SER 86 -14.441 3.365 -2.761 671 HB2 SER 86 2HB SER 86 -11.846 2.229 -3.762 672 HB3 SER 86 1HB SER 86 -12.472 3.733 -4.438 673 HG SER 86 HG SER 86 -12.637 4.411 -2.144 674 H GLU 87 H GLU 87 -14.215 4.231 -5.238 675 HA GLU 87 HA GLU 87 -16.359 3.137 -6.618 676 HB2 GLU 87 2HB GLU 87 -15.593 4.471 -8.545 677 HB3 GLU 87 1HB GLU 87 -15.565 5.392 -7.048 678 HG2 GLU 87 2HG GLU 87 -13.052 4.032 -7.710 679 HG3 GLU 87 1HG GLU 87 -13.541 5.295 -8.838 680 H PHE 88 H PHE 88 -13.074 2.109 -6.503 681 HA PHE 88 HA PHE 88 -13.225 0.555 -8.940 682 HB2 PHE 88 2HB PHE 88 -11.147 1.466 -7.141 683 HB3 PHE 88 1HB PHE 88 -10.965 -0.250 -7.491 684 HD1 PHE 88 1HD PHE 88 -11.270 -0.846 -10.067 685 HD2 PHE 88 2HD PHE 88 -10.127 2.958 -8.539 686 HE1 PHE 88 1HE PHE 88 -10.241 -0.289 -12.233 687 HE2 PHE 88 2HE PHE 88 -9.096 3.523 -10.701 688 HZ PHE 88 HZ PHE 88 -9.153 1.897 -12.551 689 H GLY 89 H GLY 89 -13.675 0.076 -5.515 690 HA2 GLY 89 2HA GLY 89 -15.196 -2.016 -5.288 691 HA3 GLY 89 1HA GLY 89 -13.774 -2.838 -5.905 692 H TYR 90 H TYR 90 -14.224 -3.983 -3.800 693 HA TYR 90 HA TYR 90 -13.549 -2.655 -1.365 694 HB2 TYR 90 2HB TYR 90 -14.538 -5.227 -2.228 695 HB3 TYR 90 1HB TYR 90 -13.263 -5.434 -1.044 696 HD1 TYR 90 1HD TYR 90 -16.511 -3.760 -1.649 697 HD2 TYR 90 2HD TYR 90 -13.693 -5.063 1.257 698 HE1 TYR 90 1HE TYR 90 -18.129 -3.260 0.133 699 HE2 TYR 90 2HE TYR 90 -15.303 -4.574 3.048 700 HH TYR 90 HH TYR 90 -17.668 -4.289 3.374 701 H HIS 91 H HIS 91 -11.545 -1.813 -1.325 702 HA HIS 91 HA HIS 91 -9.283 -3.275 -2.380 703 HB2 HIS 91 2HB HIS 91 -9.757 -0.518 -1.354 704 HB3 HIS 91 1HB HIS 91 -8.114 -1.135 -1.352 705 HD1 HIS 91 1HD HIS 91 -10.402 0.644 -3.433 706 HD2 HIS 91 2HD HIS 91 -7.395 -2.147 -4.094 707 HE1 HIS 91 1HE HIS 91 -9.786 0.879 -5.861 708 HE2 HIS 91 2HE HIS 91 -7.905 -0.759 -6.216 709 H VAL 92 H VAL 92 -7.241 -3.237 -1.115 710 HA VAL 92 HA VAL 92 -7.501 -3.590 1.764 711 HB VAL 92 HB VAL 92 -6.288 -5.760 0.040 712 HG11 VAL 92 1HG1 VAL 92 -5.769 -6.892 1.968 713 HG12 VAL 92 2HG1 VAL 92 -7.016 -6.078 2.912 714 HG13 VAL 92 3HG1 VAL 92 -5.532 -5.226 2.492 715 HG21 VAL 92 3HG2 VAL 92 -9.009 -5.502 1.264 716 HG22 VAL 92 1HG2 VAL 92 -8.276 -7.089 1.030 717 HG23 VAL 92 2HG2 VAL 92 -8.560 -6.035 -0.355 718 H ILE 93 H ILE 93 -5.637 -2.934 2.809 719 HA ILE 93 HA ILE 93 -3.306 -2.402 1.082 720 HB ILE 93 HB ILE 93 -3.562 -0.583 3.361 721 HG12 ILE 93 2HG1 ILE 93 -5.650 -0.587 1.176 722 HG13 ILE 93 1HG1 ILE 93 -5.923 -0.666 2.908 723 HG21 ILE 93 1HG2 ILE 93 -2.298 0.691 2.039 724 HG22 ILE 93 2HG2 ILE 93 -3.447 0.582 0.708 725 HG23 ILE 93 3HG2 ILE 93 -2.234 -0.679 0.929 726 HD11 ILE 93 3HD1 ILE 93 -6.410 1.518 2.549 727 HD12 ILE 93 1HD1 ILE 93 -5.293 1.661 1.191 728 HD13 ILE 93 2HD1 ILE 93 -4.678 1.665 2.844 729 H LYS 94 H LYS 94 -1.521 -3.352 1.691 730 HA LYS 94 HA LYS 94 -1.035 -3.860 4.548 731 HB2 LYS 94 2HB LYS 94 -1.626 -5.997 3.626 732 HB3 LYS 94 1HB LYS 94 -0.583 -5.750 2.234 733 HG2 LYS 94 2HG LYS 94 0.437 -7.314 3.750 734 HG3 LYS 94 1HG LYS 94 1.380 -5.823 3.720 735 HD2 LYS 94 2HD LYS 94 0.855 -5.289 5.867 736 HD3 LYS 94 1HD LYS 94 -0.748 -6.018 5.768 737 HE2 LYS 94 2HE LYS 94 0.758 -7.227 7.304 738 HE3 LYS 94 1HE LYS 94 0.200 -8.229 5.964 739 HZ1 LYS 94 3HZ LYS 94 2.830 -6.854 6.064 740 HZ2 LYS 94 1HZ LYS 94 2.296 -7.918 4.861 741 HZ3 LYS 94 2HZ LYS 94 2.583 -8.487 6.428 742 H ARG 95 H ARG 95 0.595 -2.531 5.073 743 HA ARG 95 HA ARG 95 2.322 -1.303 3.296 744 HB2 ARG 95 2HB ARG 95 1.836 -1.160 6.017 745 HB3 ARG 95 1HB ARG 95 3.525 -1.630 5.915 746 HG2 ARG 95 2HG ARG 95 2.812 0.518 4.080 747 HG3 ARG 95 1HG ARG 95 2.571 0.927 5.781 748 HD2 ARG 95 2HD ARG 95 4.927 -0.019 6.136 749 HD3 ARG 95 1HD ARG 95 5.095 0.091 4.385 750 HE ARG 95 HE ARG 95 4.193 2.543 5.518 751 HH11 ARG 95 1HH1 ARG 95 7.034 0.581 5.016 752 HH12 ARG 95 2HH1 ARG 95 8.123 1.926 5.050 753 HH21 ARG 95 1HH2 ARG 95 5.626 4.316 5.563 754 HH22 ARG 95 2HH2 ARG 95 7.325 4.047 5.361 755 H LEU 96 H LEU 96 4.201 -1.722 2.422 756 HA LEU 96 HA LEU 96 5.925 -3.811 3.340 757 HB2 LEU 96 2HB LEU 96 5.593 -5.314 1.708 758 HB3 LEU 96 1HB LEU 96 4.020 -4.570 1.573 759 HG LEU 96 HG LEU 96 5.128 -3.053 -0.207 760 HD11 LEU 96 1HD1 LEU 96 7.374 -3.398 -0.209 761 HD12 LEU 96 2HD1 LEU 96 6.915 -4.636 -1.381 762 HD13 LEU 96 3HD1 LEU 96 7.225 -5.081 0.297 763 HD21 LEU 96 3HD2 LEU 96 4.997 -5.821 -1.226 764 HD22 LEU 96 1HD2 LEU 96 4.191 -4.356 -1.792 765 HD23 LEU 96 2HD2 LEU 96 3.573 -5.214 -0.380 766 H GLY 97 H GLY 97 7.817 -2.856 3.315 767 HA2 GLY 97 2HA GLY 97 8.791 -1.526 0.942 768 HA3 GLY 97 1HA GLY 97 8.587 -0.480 2.332 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 22.160 6.803 9.331 2 H2 GLY 1 2HT GLY 1 21.298 5.642 10.208 3 H3 GLY 1 3HT GLY 1 20.487 6.965 9.537 4 HA2 GLY 1 1HA GLY 1 21.313 4.481 8.311 5 HA3 GLY 1 2HA GLY 1 19.980 5.547 7.895 6 HA PRO 2 HA PRO 2 23.319 5.906 4.641 7 HB2 PRO 2 2HB PRO 2 21.640 5.643 2.516 8 HB3 PRO 2 1HB PRO 2 22.407 4.268 3.319 9 HG2 PRO 2 2HG PRO 2 19.636 5.351 3.651 10 HG3 PRO 2 1HG PRO 2 20.173 3.665 3.531 11 HD2 PRO 2 2HD PRO 2 19.572 4.826 5.896 12 HD3 PRO 2 1HD PRO 2 20.832 3.586 5.741 13 H MET 3 H MET 3 23.725 7.692 3.323 14 HA MET 3 HA MET 3 22.123 10.028 3.927 15 HB2 MET 3 2HB MET 3 24.832 9.507 2.853 16 HB3 MET 3 1HB MET 3 24.044 10.968 2.275 17 HG2 MET 3 2HG MET 3 24.143 11.990 4.290 18 HG3 MET 3 1HG MET 3 23.987 10.481 5.189 19 HE1 MET 3 3HE MET 3 25.958 12.441 2.804 20 HE2 MET 3 1HE MET 3 27.407 11.451 2.612 21 HE3 MET 3 2HE MET 3 27.413 12.818 3.726 22 H GLY 4 H GLY 4 21.179 11.404 2.384 23 HA2 GLY 4 2HA GLY 4 20.079 11.947 0.441 24 HA3 GLY 4 1HA GLY 4 21.172 10.859 -0.401 25 H SER 5 H SER 5 19.344 9.557 2.216 26 HA SER 5 HA SER 5 17.890 7.871 0.351 27 HB2 SER 5 2HB SER 5 17.272 6.561 2.316 28 HB3 SER 5 1HB SER 5 19.008 6.872 2.322 29 HG SER 5 HG SER 5 18.347 7.351 4.348 30 H MET 6 H MET 6 15.879 8.255 -0.276 31 HA MET 6 HA MET 6 14.253 10.145 1.287 32 HB2 MET 6 2HB MET 6 13.829 9.350 -1.594 33 HB3 MET 6 1HB MET 6 13.087 10.690 -0.732 34 HG2 MET 6 2HG MET 6 14.918 12.016 -0.921 35 HG3 MET 6 1HG MET 6 16.040 10.659 -0.918 36 HE1 MET 6 3HE MET 6 16.924 9.547 -3.642 37 HE2 MET 6 1HE MET 6 17.472 10.727 -2.451 38 HE3 MET 6 2HE MET 6 17.353 11.180 -4.151 39 H ALA 7 H ALA 7 12.431 9.449 2.233 40 HA ALA 7 HA ALA 7 11.150 7.011 1.249 41 HB1 ALA 7 1HB ALA 7 11.319 5.806 3.181 42 HB2 ALA 7 2HB ALA 7 11.484 7.240 4.193 43 HB3 ALA 7 3HB ALA 7 12.852 6.677 3.231 44 H ASP 8 H ASP 8 10.484 9.917 1.286 45 HA ASP 8 HA ASP 8 8.530 10.480 3.215 46 HB2 ASP 8 2HB ASP 8 9.481 11.671 0.765 47 HB3 ASP 8 1HB ASP 8 7.724 11.768 0.843 48 H LYS 9 H LYS 9 8.453 8.408 0.460 49 HA LYS 9 HA LYS 9 5.603 8.313 0.222 50 HB2 LYS 9 2HB LYS 9 7.872 6.765 -0.989 51 HB3 LYS 9 1HB LYS 9 6.191 6.398 -1.319 52 HG2 LYS 9 2HG LYS 9 6.847 7.709 -3.094 53 HG3 LYS 9 1HG LYS 9 5.985 8.834 -2.053 54 HD2 LYS 9 2HD LYS 9 8.912 8.543 -1.657 55 HD3 LYS 9 1HD LYS 9 8.373 9.371 -3.120 56 HE2 LYS 9 2HE LYS 9 6.997 10.214 -0.681 57 HE3 LYS 9 1HE LYS 9 8.729 10.534 -0.683 58 HZ1 LYS 9 3HZ LYS 9 7.013 11.296 -2.965 59 HZ2 LYS 9 1HZ LYS 9 8.552 11.876 -2.565 60 HZ3 LYS 9 2HZ LYS 9 7.214 12.316 -1.630 61 H ILE 10 H ILE 10 4.609 6.089 0.118 62 HA ILE 10 HA ILE 10 5.343 4.598 2.547 63 HB ILE 10 HB ILE 10 2.670 4.193 1.308 64 HG12 ILE 10 2HG1 ILE 10 3.214 6.542 3.135 65 HG13 ILE 10 1HG1 ILE 10 3.025 6.684 1.390 66 HG21 ILE 10 1HG2 ILE 10 3.668 2.998 3.331 67 HG22 ILE 10 2HG2 ILE 10 2.015 3.600 3.456 68 HG23 ILE 10 3HG2 ILE 10 3.340 4.490 4.211 69 HD11 ILE 10 3HD1 ILE 10 1.000 6.023 3.466 70 HD12 ILE 10 1HD1 ILE 10 0.774 5.462 1.810 71 HD13 ILE 10 2HD1 ILE 10 0.918 7.188 2.145 72 H LYS 11 H LYS 11 5.697 2.502 2.381 73 HA LYS 11 HA LYS 11 5.607 1.356 -0.317 74 HB2 LYS 11 2HB LYS 11 7.263 0.285 1.964 75 HB3 LYS 11 1HB LYS 11 7.472 0.032 0.232 76 HG2 LYS 11 2HG LYS 11 8.691 1.882 -0.023 77 HG3 LYS 11 1HG LYS 11 7.633 2.859 1.007 78 HD2 LYS 11 2HD LYS 11 9.473 2.838 2.345 79 HD3 LYS 11 1HD LYS 11 8.774 1.309 2.878 80 HE2 LYS 11 2HE LYS 11 10.504 0.151 2.087 81 HE3 LYS 11 1HE LYS 11 10.405 0.950 0.519 82 HZ1 LYS 11 3HZ LYS 11 12.453 1.625 1.237 83 HZ2 LYS 11 1HZ LYS 11 12.013 1.659 2.871 84 HZ3 LYS 11 2HZ LYS 11 11.509 2.896 1.833 85 H CYS 12 H CYS 12 3.445 0.729 -0.185 86 HA CYS 12 HA CYS 12 3.010 -1.591 1.544 87 HB2 CYS 12 2HB CYS 12 0.809 0.358 0.918 88 HB3 CYS 12 1HB CYS 12 0.813 -0.925 2.114 89 HG CYS 12 HG CYS 12 2.862 1.232 2.715 90 H SER 13 H SER 13 0.779 -2.637 0.735 91 HA SER 13 HA SER 13 0.789 -2.755 -2.201 92 HB2 SER 13 2HB SER 13 0.432 -5.315 -1.832 93 HB3 SER 13 1HB SER 13 2.067 -4.660 -1.764 94 HG SER 13 HG SER 13 1.772 -5.969 0.015 95 H HIS 14 H HIS 14 -1.250 -3.802 -3.053 96 HA HIS 14 HA HIS 14 -3.437 -3.767 -1.111 97 HB2 HIS 14 2HB HIS 14 -4.820 -2.335 -2.540 98 HB3 HIS 14 1HB HIS 14 -3.357 -1.507 -2.021 99 HD1 HIS 14 1HD HIS 14 -4.482 -0.198 -4.331 100 HD2 HIS 14 2HD HIS 14 -2.114 -3.579 -4.794 101 HE1 HIS 14 1HE HIS 14 -3.652 -0.116 -6.701 102 HE2 HIS 14 2HE HIS 14 -2.150 -2.126 -6.932 103 H ILE 15 H ILE 15 -5.389 -4.714 -1.769 104 HA ILE 15 HA ILE 15 -5.281 -6.440 -4.145 105 HB ILE 15 HB ILE 15 -5.605 -7.288 -1.300 106 HG12 ILE 15 2HG1 ILE 15 -4.429 -9.306 -2.204 107 HG13 ILE 15 1HG1 ILE 15 -4.381 -8.514 -3.774 108 HG21 ILE 15 1HG2 ILE 15 -7.279 -8.293 -3.537 109 HG22 ILE 15 2HG2 ILE 15 -7.648 -8.150 -1.818 110 HG23 ILE 15 3HG2 ILE 15 -6.627 -9.469 -2.395 111 HD11 ILE 15 3HD1 ILE 15 -3.348 -6.821 -1.678 112 HD12 ILE 15 1HD1 ILE 15 -2.608 -7.319 -3.200 113 HD13 ILE 15 2HD1 ILE 15 -2.487 -8.358 -1.779 114 H LEU 16 H LEU 16 -7.265 -6.741 -5.156 115 HA LEU 16 HA LEU 16 -9.547 -5.309 -3.954 116 HB2 LEU 16 2HB LEU 16 -8.257 -4.974 -6.519 117 HB3 LEU 16 1HB LEU 16 -9.947 -5.384 -6.727 118 HG LEU 16 HG LEU 16 -9.089 -3.160 -4.899 119 HD11 LEU 16 1HD1 LEU 16 -9.132 -3.235 -7.840 120 HD12 LEU 16 2HD1 LEU 16 -8.267 -2.161 -6.741 121 HD13 LEU 16 3HD1 LEU 16 -9.968 -1.871 -7.101 122 HD21 LEU 16 3HD2 LEU 16 -11.448 -2.411 -5.766 123 HD22 LEU 16 1HD2 LEU 16 -11.300 -3.586 -4.460 124 HD23 LEU 16 2HD2 LEU 16 -11.634 -4.132 -6.103 125 H VAL 17 H VAL 17 -11.370 -6.421 -3.703 126 HA VAL 17 HA VAL 17 -11.941 -8.708 -5.425 127 HB VAL 17 HB VAL 17 -12.480 -10.181 -3.574 128 HG11 VAL 17 1HG1 VAL 17 -9.940 -9.516 -4.409 129 HG12 VAL 17 2HG1 VAL 17 -10.383 -10.943 -3.480 130 HG13 VAL 17 3HG1 VAL 17 -9.806 -9.497 -2.652 131 HG21 VAL 17 3HG2 VAL 17 -12.027 -7.742 -1.991 132 HG22 VAL 17 1HG2 VAL 17 -11.379 -9.227 -1.291 133 HG23 VAL 17 2HG2 VAL 17 -13.093 -9.114 -1.686 134 H LYS 18 H LYS 18 -14.087 -8.861 -5.910 135 HA LYS 18 HA LYS 18 -15.810 -6.748 -5.096 136 HB2 LYS 18 2HB LYS 18 -16.087 -9.172 -6.819 137 HB3 LYS 18 1HB LYS 18 -17.552 -8.372 -6.265 138 HG2 LYS 18 2HG LYS 18 -17.329 -7.092 -8.071 139 HG3 LYS 18 1HG LYS 18 -16.051 -6.273 -7.172 140 HD2 LYS 18 2HD LYS 18 -14.851 -6.786 -9.028 141 HD3 LYS 18 1HD LYS 18 -14.634 -8.313 -8.170 142 HE2 LYS 18 2HE LYS 18 -15.950 -9.457 -9.605 143 HE3 LYS 18 1HE LYS 18 -17.065 -8.109 -9.823 144 HZ1 LYS 18 3HZ LYS 18 -14.394 -7.806 -10.953 145 HZ2 LYS 18 1HZ LYS 18 -15.891 -7.297 -11.557 146 HZ3 LYS 18 2HZ LYS 18 -15.420 -8.914 -11.717 147 H LYS 19 H LYS 19 -15.457 -10.120 -4.153 148 HA LYS 19 HA LYS 19 -17.792 -10.171 -2.525 149 HB2 LYS 19 2HB LYS 19 -16.496 -12.225 -1.533 150 HB3 LYS 19 1HB LYS 19 -17.159 -12.286 -3.157 151 HG2 LYS 19 2HG LYS 19 -15.135 -12.301 -4.157 152 HG3 LYS 19 1HG LYS 19 -14.369 -11.359 -2.881 153 HD2 LYS 19 2HD LYS 19 -13.558 -13.239 -2.006 154 HD3 LYS 19 1HD LYS 19 -15.205 -13.810 -1.734 155 HE2 LYS 19 2HE LYS 19 -15.244 -15.022 -3.706 156 HE3 LYS 19 1HE LYS 19 -13.958 -14.066 -4.440 157 HZ1 LYS 19 3HZ LYS 19 -13.446 -16.434 -3.614 158 HZ2 LYS 19 1HZ LYS 19 -13.398 -15.730 -2.074 159 HZ3 LYS 19 2HZ LYS 19 -12.338 -15.199 -3.282 160 H GLN 20 H GLN 20 -17.461 -8.166 -1.475 161 HA GLN 20 HA GLN 20 -15.390 -7.281 0.018 162 HB2 GLN 20 2HB GLN 20 -17.177 -6.177 1.481 163 HB3 GLN 20 1HB GLN 20 -17.199 -5.824 -0.241 164 HG2 GLN 20 2HG GLN 20 -19.321 -6.423 -0.289 165 HG3 GLN 20 1HG GLN 20 -18.829 -8.072 0.091 166 HE21 GLN 20 1HE2 GLN 20 -19.815 -8.914 1.767 167 HE22 GLN 20 2HE2 GLN 20 -20.429 -8.055 3.135 168 H GLY 21 H GLY 21 -17.484 -9.930 0.907 169 HA2 GLY 21 2HA GLY 21 -16.918 -9.837 3.687 170 HA3 GLY 21 1HA GLY 21 -17.489 -11.251 2.808 171 H GLU 22 H GLU 22 -15.259 -11.155 0.935 172 HA GLU 22 HA GLU 22 -13.416 -12.740 2.410 173 HB2 GLU 22 2HB GLU 22 -12.354 -13.120 0.365 174 HB3 GLU 22 1HB GLU 22 -14.038 -12.901 -0.074 175 HG2 GLU 22 2HG GLU 22 -13.530 -11.232 -1.410 176 HG3 GLU 22 1HG GLU 22 -12.626 -10.408 -0.154 177 H ALA 23 H ALA 23 -13.446 -9.467 1.148 178 HA ALA 23 HA ALA 23 -10.831 -8.687 1.542 179 HB1 ALA 23 1HB ALA 23 -12.403 -7.228 0.443 180 HB2 ALA 23 2HB ALA 23 -11.736 -6.387 1.843 181 HB3 ALA 23 3HB ALA 23 -13.357 -7.076 1.921 182 H LEU 24 H LEU 24 -13.447 -9.009 3.871 183 HA LEU 24 HA LEU 24 -12.004 -7.869 6.066 184 HB2 LEU 24 2HB LEU 24 -14.604 -8.310 5.658 185 HB3 LEU 24 1HB LEU 24 -14.232 -9.788 6.525 186 HG LEU 24 HG LEU 24 -15.062 -8.146 8.078 187 HD11 LEU 24 1HD1 LEU 24 -12.125 -8.126 8.604 188 HD12 LEU 24 2HD1 LEU 24 -13.002 -9.655 8.582 189 HD13 LEU 24 3HD1 LEU 24 -13.466 -8.390 9.720 190 HD21 LEU 24 3HD2 LEU 24 -13.287 -6.136 8.357 191 HD22 LEU 24 1HD2 LEU 24 -14.760 -6.022 7.394 192 HD23 LEU 24 2HD2 LEU 24 -13.220 -6.379 6.611 193 H ALA 25 H ALA 25 -12.310 -11.046 4.675 194 HA ALA 25 HA ALA 25 -11.109 -12.363 6.963 195 HB1 ALA 25 1HB ALA 25 -12.686 -13.715 5.914 196 HB2 ALA 25 2HB ALA 25 -11.152 -14.351 5.316 197 HB3 ALA 25 3HB ALA 25 -12.121 -13.286 4.297 198 H VAL 26 H VAL 26 -10.167 -11.506 3.653 199 HA VAL 26 HA VAL 26 -7.705 -12.758 3.533 200 HB VAL 26 HB VAL 26 -7.123 -11.363 1.749 201 HG11 VAL 26 1HG1 VAL 26 -9.935 -10.814 1.271 202 HG12 VAL 26 2HG1 VAL 26 -9.650 -12.451 1.863 203 HG13 VAL 26 3HG1 VAL 26 -8.826 -11.882 0.411 204 HG21 VAL 26 3HG2 VAL 26 -8.178 -9.136 1.362 205 HG22 VAL 26 1HG2 VAL 26 -7.174 -9.216 2.810 206 HG23 VAL 26 2HG2 VAL 26 -8.931 -9.271 2.950 207 H GLN 27 H GLN 27 -8.561 -9.666 5.009 208 HA GLN 27 HA GLN 27 -5.984 -8.751 5.541 209 HB2 GLN 27 2HB GLN 27 -6.955 -7.267 7.123 210 HB3 GLN 27 1HB GLN 27 -8.165 -7.488 5.867 211 HG2 GLN 27 2HG GLN 27 -9.461 -8.895 7.238 212 HG3 GLN 27 1HG GLN 27 -8.186 -9.031 8.439 213 HE21 GLN 27 1HE2 GLN 27 -9.336 -6.148 6.773 214 HE22 GLN 27 2HE2 GLN 27 -9.882 -5.327 8.191 215 H GLU 28 H GLU 28 -8.124 -10.769 7.529 216 HA GLU 28 HA GLU 28 -6.163 -11.242 9.555 217 HB2 GLU 28 2HB GLU 28 -7.788 -12.582 10.600 218 HB3 GLU 28 1HB GLU 28 -8.715 -11.329 9.789 219 HG2 GLU 28 2HG GLU 28 -9.544 -12.778 8.199 220 HG3 GLU 28 1HG GLU 28 -8.251 -13.950 8.434 221 H ARG 29 H ARG 29 -7.140 -12.789 6.610 222 HA ARG 29 HA ARG 29 -5.832 -15.290 7.076 223 HB2 ARG 29 2HB ARG 29 -7.821 -14.603 5.488 224 HB3 ARG 29 1HB ARG 29 -6.523 -14.294 4.346 225 HG2 ARG 29 2HG ARG 29 -7.299 -16.476 3.934 226 HG3 ARG 29 1HG ARG 29 -5.743 -16.645 4.752 227 HD2 ARG 29 2HD ARG 29 -8.081 -16.553 6.530 228 HD3 ARG 29 1HD ARG 29 -8.021 -17.952 5.460 229 HE ARG 29 HE ARG 29 -5.516 -17.801 6.538 230 HH11 ARG 29 1HH1 ARG 29 -8.749 -18.025 7.832 231 HH12 ARG 29 2HH1 ARG 29 -8.255 -18.883 9.254 232 HH21 ARG 29 1HH2 ARG 29 -4.865 -18.929 8.407 233 HH22 ARG 29 2HH2 ARG 29 -6.050 -19.395 9.581 234 H LEU 30 H LEU 30 -4.906 -12.237 5.690 235 HA LEU 30 HA LEU 30 -2.763 -13.054 4.094 236 HB2 LEU 30 2HB LEU 30 -3.908 -10.763 4.294 237 HB3 LEU 30 1HB LEU 30 -2.808 -10.470 5.624 238 HG LEU 30 HG LEU 30 -1.951 -9.467 3.603 239 HD11 LEU 30 1HD1 LEU 30 -0.492 -10.837 5.320 240 HD12 LEU 30 2HD1 LEU 30 0.219 -10.120 3.873 241 HD13 LEU 30 3HD1 LEU 30 -0.184 -11.838 3.899 242 HD21 LEU 30 3HD2 LEU 30 -2.800 -11.982 2.431 243 HD22 LEU 30 1HD2 LEU 30 -1.154 -11.551 1.970 244 HD23 LEU 30 2HD2 LEU 30 -2.477 -10.429 1.663 245 H LYS 31 H LYS 31 -2.725 -11.886 7.461 246 HA LYS 31 HA LYS 31 0.048 -12.348 7.833 247 HB2 LYS 31 2HB LYS 31 -0.433 -12.013 10.225 248 HB3 LYS 31 1HB LYS 31 -1.158 -10.767 9.221 249 HG2 LYS 31 2HG LYS 31 -2.984 -12.957 9.605 250 HG3 LYS 31 1HG LYS 31 -2.416 -12.327 11.153 251 HD2 LYS 31 2HD LYS 31 -2.924 -10.038 9.729 252 HD3 LYS 31 1HD LYS 31 -4.196 -11.125 9.170 253 HE2 LYS 31 2HE LYS 31 -3.568 -10.516 12.056 254 HE3 LYS 31 1HE LYS 31 -4.877 -9.788 11.127 255 HZ1 LYS 31 3HZ LYS 31 -4.987 -12.615 10.953 256 HZ2 LYS 31 1HZ LYS 31 -6.154 -11.536 11.532 257 HZ3 LYS 31 2HZ LYS 31 -4.966 -12.136 12.574 258 H ALA 32 H ALA 32 -2.505 -14.521 7.579 259 HA ALA 32 HA ALA 32 -1.980 -16.436 9.512 260 HB1 ALA 32 1HB ALA 32 -2.900 -16.931 6.683 261 HB2 ALA 32 2HB ALA 32 -3.942 -16.450 8.023 262 HB3 ALA 32 3HB ALA 32 -3.119 -18.009 8.063 263 H GLY 33 H GLY 33 -0.137 -15.569 6.737 264 HA2 GLY 33 2HA GLY 33 2.237 -16.469 7.114 265 HA3 GLY 33 1HA GLY 33 1.437 -18.017 6.920 266 H GLU 34 H GLU 34 -0.346 -16.304 4.940 267 HA GLU 34 HA GLU 34 1.072 -17.190 2.602 268 HB2 GLU 34 2HB GLU 34 -0.865 -16.250 1.369 269 HB3 GLU 34 1HB GLU 34 -1.333 -17.379 2.635 270 HG2 GLU 34 2HG GLU 34 -1.908 -15.516 4.097 271 HG3 GLU 34 1HG GLU 34 -1.418 -14.377 2.844 272 H LYS 35 H LYS 35 1.596 -15.813 0.783 273 HA LYS 35 HA LYS 35 2.819 -13.335 1.673 274 HB2 LYS 35 2HB LYS 35 3.546 -15.316 -0.163 275 HB3 LYS 35 1HB LYS 35 3.164 -13.908 -1.144 276 HG2 LYS 35 2HG LYS 35 4.795 -12.588 -0.050 277 HG3 LYS 35 1HG LYS 35 5.026 -13.800 1.213 278 HD2 LYS 35 2HD LYS 35 6.822 -14.320 -0.076 279 HD3 LYS 35 1HD LYS 35 5.618 -15.302 -0.912 280 HE2 LYS 35 2HE LYS 35 6.275 -14.226 -2.759 281 HE3 LYS 35 1HE LYS 35 5.343 -12.866 -2.134 282 HZ1 LYS 35 3HZ LYS 35 7.479 -12.235 -0.936 283 HZ2 LYS 35 1HZ LYS 35 7.435 -11.991 -2.609 284 HZ3 LYS 35 2HZ LYS 35 8.259 -13.322 -1.969 285 H PHE 36 H PHE 36 2.233 -11.336 1.080 286 HA PHE 36 HA PHE 36 -0.361 -10.766 0.308 287 HB2 PHE 36 2HB PHE 36 1.574 -9.270 1.312 288 HB3 PHE 36 1HB PHE 36 1.806 -8.830 -0.378 289 HD1 PHE 36 1HD PHE 36 -0.675 -8.918 2.352 290 HD2 PHE 36 2HD PHE 36 0.387 -7.305 -1.432 291 HE1 PHE 36 1HE PHE 36 -2.530 -7.313 2.528 292 HE2 PHE 36 2HE PHE 36 -1.462 -5.692 -1.264 293 HZ PHE 36 HZ PHE 36 -2.926 -5.693 0.715 294 H GLY 37 H GLY 37 2.580 -10.760 -1.689 295 HA2 GLY 37 2HA GLY 37 1.475 -9.913 -4.088 296 HA3 GLY 37 1HA GLY 37 2.857 -10.988 -3.954 297 H LYS 38 H LYS 38 1.395 -13.091 -2.604 298 HA LYS 38 HA LYS 38 0.548 -14.580 -4.819 299 HB2 LYS 38 2HB LYS 38 -0.200 -15.052 -1.929 300 HB3 LYS 38 1HB LYS 38 -0.199 -16.243 -3.220 301 HG2 LYS 38 2HG LYS 38 2.346 -14.837 -2.661 302 HG3 LYS 38 1HG LYS 38 1.788 -16.024 -1.482 303 HD2 LYS 38 2HD LYS 38 1.543 -16.997 -4.204 304 HD3 LYS 38 1HD LYS 38 3.202 -16.541 -3.813 305 HE2 LYS 38 2HE LYS 38 2.691 -17.890 -1.608 306 HE3 LYS 38 1HE LYS 38 1.479 -18.662 -2.629 307 HZ1 LYS 38 3HZ LYS 38 3.086 -19.522 -4.030 308 HZ2 LYS 38 1HZ LYS 38 3.815 -19.675 -2.511 309 HZ3 LYS 38 2HZ LYS 38 4.271 -18.415 -3.544 310 H LEU 39 H LEU 39 -1.382 -13.072 -2.231 311 HA LEU 39 HA LEU 39 -3.907 -13.775 -3.115 312 HB2 LEU 39 2HB LEU 39 -3.065 -11.214 -1.765 313 HB3 LEU 39 1HB LEU 39 -4.722 -11.720 -1.972 314 HG LEU 39 HG LEU 39 -4.135 -12.228 0.265 315 HD11 LEU 39 1HD1 LEU 39 -4.073 -14.703 -1.443 316 HD12 LEU 39 2HD1 LEU 39 -5.477 -13.934 -0.699 317 HD13 LEU 39 3HD1 LEU 39 -4.261 -14.717 0.308 318 HD21 LEU 39 3HD2 LEU 39 -1.845 -13.962 -0.562 319 HD22 LEU 39 1HD2 LEU 39 -2.195 -13.241 1.008 320 HD23 LEU 39 2HD2 LEU 39 -1.613 -12.230 -0.317 321 H ALA 40 H ALA 40 -1.784 -11.222 -4.258 322 HA ALA 40 HA ALA 40 -3.528 -9.635 -5.686 323 HB1 ALA 40 1HB ALA 40 -1.003 -9.389 -5.363 324 HB2 ALA 40 2HB ALA 40 -1.686 -8.860 -6.901 325 HB3 ALA 40 3HB ALA 40 -0.851 -10.409 -6.795 326 H LYS 41 H LYS 41 -1.789 -12.491 -6.879 327 HA LYS 41 HA LYS 41 -3.423 -12.569 -9.268 328 HB2 LYS 41 2HB LYS 41 -1.988 -14.356 -9.995 329 HB3 LYS 41 1HB LYS 41 -0.987 -13.075 -9.330 330 HG2 LYS 41 2HG LYS 41 -1.022 -14.421 -7.158 331 HG3 LYS 41 1HG LYS 41 -1.638 -15.748 -8.144 332 HD2 LYS 41 2HD LYS 41 0.526 -14.770 -9.584 333 HD3 LYS 41 1HD LYS 41 1.061 -14.710 -7.903 334 HE2 LYS 41 2HE LYS 41 -0.118 -17.149 -7.987 335 HE3 LYS 41 1HE LYS 41 0.495 -17.019 -9.634 336 HZ1 LYS 41 3HZ LYS 41 1.992 -17.042 -7.098 337 HZ2 LYS 41 1HZ LYS 41 2.663 -16.305 -8.465 338 HZ3 LYS 41 2HZ LYS 41 2.257 -17.947 -8.501 339 H GLU 42 H GLU 42 -3.339 -14.037 -6.139 340 HA GLU 42 HA GLU 42 -4.711 -16.428 -6.771 341 HB2 GLU 42 2HB GLU 42 -3.637 -15.158 -4.443 342 HB3 GLU 42 1HB GLU 42 -5.244 -15.749 -4.082 343 HG2 GLU 42 2HG GLU 42 -4.204 -17.876 -5.388 344 HG3 GLU 42 1HG GLU 42 -2.766 -17.215 -4.608 345 H LEU 43 H LEU 43 -6.058 -13.689 -4.840 346 HA LEU 43 HA LEU 43 -8.639 -14.329 -6.114 347 HB2 LEU 43 2HB LEU 43 -9.630 -13.304 -3.954 348 HB3 LEU 43 1HB LEU 43 -9.071 -14.963 -3.960 349 HG LEU 43 HG LEU 43 -8.486 -13.633 -1.919 350 HD11 LEU 43 1HD1 LEU 43 -7.032 -15.539 -3.316 351 HD12 LEU 43 2HD1 LEU 43 -6.850 -15.095 -1.620 352 HD13 LEU 43 3HD1 LEU 43 -5.844 -14.322 -2.847 353 HD21 LEU 43 3HD2 LEU 43 -7.854 -11.613 -3.500 354 HD22 LEU 43 1HD2 LEU 43 -6.262 -12.367 -3.425 355 HD23 LEU 43 2HD2 LEU 43 -7.063 -11.856 -1.943 356 H SER 44 H SER 44 -6.335 -11.868 -5.582 357 HA SER 44 HA SER 44 -8.023 -9.611 -5.596 358 HB2 SER 44 2HB SER 44 -5.306 -10.037 -5.438 359 HB3 SER 44 1HB SER 44 -5.481 -9.218 -6.986 360 HG SER 44 HG SER 44 -5.555 -7.495 -5.788 361 H ILE 45 H ILE 45 -9.021 -8.517 -7.167 362 HA ILE 45 HA ILE 45 -8.966 -9.660 -9.856 363 HB ILE 45 HB ILE 45 -10.960 -8.062 -10.187 364 HG12 ILE 45 2HG1 ILE 45 -11.414 -8.227 -7.264 365 HG13 ILE 45 1HG1 ILE 45 -10.215 -7.052 -7.789 366 HG21 ILE 45 1HG2 ILE 45 -11.353 -10.257 -8.168 367 HG22 ILE 45 2HG2 ILE 45 -11.015 -10.561 -9.872 368 HG23 ILE 45 3HG2 ILE 45 -12.482 -9.699 -9.402 369 HD11 ILE 45 3HD1 ILE 45 -11.834 -5.637 -8.253 370 HD12 ILE 45 1HD1 ILE 45 -13.039 -6.841 -7.794 371 HD13 ILE 45 2HD1 ILE 45 -12.466 -6.757 -9.461 372 H ASP 46 H ASP 46 -7.590 -7.131 -8.161 373 HA ASP 46 HA ASP 46 -7.683 -4.904 -9.731 374 HB2 ASP 46 2HB ASP 46 -6.481 -4.770 -7.701 375 HB3 ASP 46 1HB ASP 46 -5.410 -6.090 -8.147 376 H GLY 47 H GLY 47 -6.894 -4.235 -11.642 377 HA2 GLY 47 2HA GLY 47 -6.175 -6.116 -13.601 378 HA3 GLY 47 1HA GLY 47 -6.040 -4.372 -13.766 379 H GLY 48 H GLY 48 -4.180 -5.485 -15.068 380 HA2 GLY 48 2HA GLY 48 -1.966 -6.621 -14.669 381 HA3 GLY 48 1HA GLY 48 -1.840 -4.941 -15.145 382 H SER 49 H SER 49 -2.431 -3.640 -12.746 383 HA SER 49 HA SER 49 0.009 -3.591 -11.461 384 HB2 SER 49 2HB SER 49 -2.246 -2.107 -11.275 385 HB3 SER 49 1HB SER 49 -2.322 -2.977 -9.743 386 HG SER 49 HG SER 49 -0.069 -2.263 -9.471 387 H ALA 50 H ALA 50 -2.768 -5.628 -10.801 388 HA ALA 50 HA ALA 50 -1.833 -6.658 -8.313 389 HB1 ALA 50 1HB ALA 50 -3.660 -8.316 -9.932 390 HB2 ALA 50 2HB ALA 50 -4.220 -6.693 -9.533 391 HB3 ALA 50 3HB ALA 50 -3.773 -7.811 -8.245 392 H LYS 51 H LYS 51 -1.111 -7.304 -11.600 393 HA LYS 51 HA LYS 51 -0.197 -9.994 -11.228 394 HB2 LYS 51 2HB LYS 51 -0.514 -8.121 -13.425 395 HB3 LYS 51 1HB LYS 51 0.991 -9.015 -13.538 396 HG2 LYS 51 2HG LYS 51 -0.059 -10.866 -14.179 397 HG3 LYS 51 1HG LYS 51 -1.211 -10.746 -12.847 398 HD2 LYS 51 2HD LYS 51 -1.804 -8.720 -14.769 399 HD3 LYS 51 1HD LYS 51 -1.661 -10.270 -15.598 400 HE2 LYS 51 2HE LYS 51 -3.176 -10.351 -13.086 401 HE3 LYS 51 1HE LYS 51 -3.908 -9.372 -14.356 402 HZ1 LYS 51 3HZ LYS 51 -3.132 -12.231 -14.548 403 HZ2 LYS 51 1HZ LYS 51 -3.694 -11.306 -15.848 404 HZ3 LYS 51 2HZ LYS 51 -4.704 -11.607 -14.526 405 H ARG 52 H ARG 52 0.972 -7.051 -10.290 406 HA ARG 52 HA ARG 52 3.786 -7.838 -10.488 407 HB2 ARG 52 2HB ARG 52 2.335 -5.249 -10.274 408 HB3 ARG 52 1HB ARG 52 3.919 -5.353 -9.531 409 HG2 ARG 52 2HG ARG 52 3.898 -6.446 -12.215 410 HG3 ARG 52 1HG ARG 52 3.374 -4.761 -12.167 411 HD2 ARG 52 2HD ARG 52 5.607 -4.399 -12.309 412 HD3 ARG 52 1HD ARG 52 5.495 -4.581 -10.559 413 HE ARG 52 HE ARG 52 5.941 -7.104 -11.371 414 HH11 ARG 52 1HH1 ARG 52 7.546 -4.093 -12.111 415 HH12 ARG 52 2HH1 ARG 52 9.090 -4.833 -12.358 416 HH21 ARG 52 1HH2 ARG 52 7.972 -8.078 -11.695 417 HH22 ARG 52 2HH2 ARG 52 9.333 -7.096 -12.123 418 H ASP 53 H ASP 53 1.714 -8.883 -8.590 419 HA ASP 53 HA ASP 53 1.684 -9.645 -6.465 420 HB2 ASP 53 2HB ASP 53 3.657 -9.947 -5.398 421 HB3 ASP 53 1HB ASP 53 4.329 -9.369 -6.913 422 H GLY 54 H GLY 54 0.955 -6.751 -7.379 423 HA2 GLY 54 2HA GLY 54 -0.122 -4.964 -6.426 424 HA3 GLY 54 1HA GLY 54 -0.406 -6.016 -5.047 425 H SER 55 H SER 55 2.856 -5.422 -5.977 426 HA SER 55 HA SER 55 3.446 -4.222 -3.455 427 HB2 SER 55 2HB SER 55 4.997 -5.128 -5.818 428 HB3 SER 55 1HB SER 55 5.734 -3.872 -4.823 429 HG SER 55 HG SER 55 4.637 -6.156 -3.605 430 H LEU 56 H LEU 56 2.170 -2.339 -3.496 431 HA LEU 56 HA LEU 56 2.258 -0.355 -5.461 432 HB2 LEU 56 2HB LEU 56 1.616 -0.285 -2.527 433 HB3 LEU 56 1HB LEU 56 1.549 1.157 -3.503 434 HG LEU 56 HG LEU 56 -0.137 -1.322 -3.771 435 HD11 LEU 56 1HD1 LEU 56 -1.978 0.240 -3.399 436 HD12 LEU 56 2HD1 LEU 56 -0.822 1.562 -3.228 437 HD13 LEU 56 3HD1 LEU 56 -0.838 0.246 -2.053 438 HD21 LEU 56 3HD2 LEU 56 -1.232 0.230 -5.596 439 HD22 LEU 56 1HD2 LEU 56 0.102 -0.853 -5.995 440 HD23 LEU 56 2HD2 LEU 56 0.411 0.862 -5.715 441 H GLY 57 H GLY 57 4.578 -1.251 -3.091 442 HA2 GLY 57 2HA GLY 57 6.575 -0.331 -2.429 443 HA3 GLY 57 1HA GLY 57 6.662 0.225 -4.090 444 H TYR 58 H TYR 58 7.918 1.947 -2.859 445 HA TYR 58 HA TYR 58 6.701 3.762 -1.141 446 HB2 TYR 58 2HB TYR 58 8.514 5.152 -2.925 447 HB3 TYR 58 1HB TYR 58 8.654 4.856 -1.201 448 HD1 TYR 58 1HD TYR 58 9.316 3.375 -4.541 449 HD2 TYR 58 2HD TYR 58 10.180 3.255 -0.377 450 HE1 TYR 58 1HE TYR 58 11.171 1.818 -4.975 451 HE2 TYR 58 2HE TYR 58 12.035 1.698 -0.799 452 HH TYR 58 HH TYR 58 12.763 0.112 -2.475 453 H PHE 59 H PHE 59 4.904 4.834 -1.446 454 HA PHE 59 HA PHE 59 4.541 6.298 -3.972 455 HB2 PHE 59 2HB PHE 59 2.657 4.466 -2.614 456 HB3 PHE 59 1HB PHE 59 1.980 5.981 -3.181 457 HD1 PHE 59 1HD PHE 59 4.599 3.807 -4.691 458 HD2 PHE 59 2HD PHE 59 0.701 5.476 -5.027 459 HE1 PHE 59 1HE PHE 59 4.409 2.889 -6.963 460 HE2 PHE 59 2HE PHE 59 0.500 4.559 -7.300 461 HZ PHE 59 HZ PHE 59 2.355 3.263 -8.272 462 H GLY 60 H GLY 60 3.036 8.169 -3.674 463 HA2 GLY 60 2HA GLY 60 3.191 9.185 -0.911 464 HA3 GLY 60 1HA GLY 60 3.645 10.200 -2.272 465 H ARG 61 H ARG 61 1.884 11.504 -1.042 466 HA ARG 61 HA ARG 61 -0.819 10.651 -1.598 467 HB2 ARG 61 2HB ARG 61 -1.390 12.877 -0.524 468 HB3 ARG 61 1HB ARG 61 -0.563 11.715 0.505 469 HG2 ARG 61 2HG ARG 61 1.366 12.944 0.578 470 HG3 ARG 61 1HG ARG 61 1.062 13.720 -0.977 471 HD2 ARG 61 2HD ARG 61 -0.688 15.079 0.016 472 HD3 ARG 61 1HD ARG 61 -0.470 14.263 1.565 473 HE ARG 61 HE ARG 61 1.994 15.298 0.933 474 HH11 ARG 61 1HH1 ARG 61 -1.216 16.583 1.411 475 HH12 ARG 61 2HH1 ARG 61 -0.652 18.115 1.990 476 HH21 ARG 61 1HH2 ARG 61 2.737 17.312 1.693 477 HH22 ARG 61 2HH2 ARG 61 1.591 18.530 2.148 478 H GLY 62 H GLY 62 -1.698 10.993 -3.507 479 HA2 GLY 62 2HA GLY 62 -2.278 13.200 -4.793 480 HA3 GLY 62 1HA GLY 62 -0.584 13.083 -5.214 481 H LYS 63 H LYS 63 -1.242 9.973 -5.063 482 HA LYS 63 HA LYS 63 -2.467 9.818 -7.731 483 HB2 LYS 63 2HB LYS 63 0.012 9.648 -7.878 484 HB3 LYS 63 1HB LYS 63 -0.057 8.226 -6.849 485 HG2 LYS 63 2HG LYS 63 -0.320 6.974 -8.652 486 HG3 LYS 63 1HG LYS 63 -1.867 7.767 -8.948 487 HD2 LYS 63 2HD LYS 63 0.474 9.324 -9.785 488 HD3 LYS 63 1HD LYS 63 0.262 7.802 -10.652 489 HE2 LYS 63 2HE LYS 63 -1.661 8.483 -11.649 490 HE3 LYS 63 1HE LYS 63 -2.153 9.469 -10.273 491 HZ1 LYS 63 3HZ LYS 63 -0.023 10.187 -12.214 492 HZ2 LYS 63 1HZ LYS 63 -0.561 11.143 -10.924 493 HZ3 LYS 63 2HZ LYS 63 -1.596 10.809 -12.220 494 H MET 64 H MET 64 -3.601 9.306 -5.076 495 HA MET 64 HA MET 64 -4.643 6.668 -5.651 496 HB2 MET 64 2HB MET 64 -4.342 6.085 -3.129 497 HB3 MET 64 1HB MET 64 -3.023 5.810 -4.255 498 HG2 MET 64 2HG MET 64 -2.723 8.436 -3.293 499 HG3 MET 64 1HG MET 64 -3.089 7.420 -1.903 500 HE1 MET 64 3HE MET 64 -0.167 5.023 -1.604 501 HE2 MET 64 1HE MET 64 -1.887 4.838 -1.942 502 HE3 MET 64 2HE MET 64 -1.349 5.974 -0.705 503 H VAL 65 H VAL 65 -6.651 6.234 -4.696 504 HA VAL 65 HA VAL 65 -8.389 8.363 -4.434 505 HB VAL 65 HB VAL 65 -10.011 6.795 -3.484 506 HG11 VAL 65 1HG1 VAL 65 -10.324 5.771 -5.458 507 HG12 VAL 65 2HG1 VAL 65 -8.728 5.019 -5.434 508 HG13 VAL 65 3HG1 VAL 65 -8.908 6.691 -5.966 509 HG21 VAL 65 3HG2 VAL 65 -9.495 4.862 -2.447 510 HG22 VAL 65 1HG2 VAL 65 -7.924 5.629 -2.234 511 HG23 VAL 65 2HG2 VAL 65 -8.175 4.496 -3.559 512 H LYS 66 H LYS 66 -9.577 9.171 -2.606 513 HA LYS 66 HA LYS 66 -7.968 10.113 -0.546 514 HB2 LYS 66 2HB LYS 66 -10.483 10.664 -1.478 515 HB3 LYS 66 1HB LYS 66 -10.823 9.988 0.109 516 HG2 LYS 66 2HG LYS 66 -9.598 11.660 1.205 517 HG3 LYS 66 1HG LYS 66 -8.803 12.172 -0.286 518 HD2 LYS 66 2HD LYS 66 -11.708 12.333 -0.439 519 HD3 LYS 66 1HD LYS 66 -11.036 13.330 0.851 520 HE2 LYS 66 2HE LYS 66 -10.073 14.764 -0.589 521 HE3 LYS 66 1HE LYS 66 -9.589 13.482 -1.698 522 HZ1 LYS 66 3HZ LYS 66 -11.154 14.539 -2.944 523 HZ2 LYS 66 1HZ LYS 66 -12.076 15.026 -1.611 524 HZ3 LYS 66 2HZ LYS 66 -12.155 13.427 -2.157 525 HA PRO 67 HA PRO 67 -10.090 6.887 2.406 526 HB2 PRO 67 2HB PRO 67 -10.832 4.557 1.150 527 HB3 PRO 67 1HB PRO 67 -11.942 5.840 1.597 528 HG2 PRO 67 2HG PRO 67 -10.768 5.173 -1.042 529 HG3 PRO 67 1HG PRO 67 -12.352 5.864 -0.658 530 HD2 PRO 67 2HD PRO 67 -10.267 7.312 -1.646 531 HD3 PRO 67 1HD PRO 67 -11.541 7.998 -0.636 532 H PHE 68 H PHE 68 -8.468 5.619 -0.453 533 HA PHE 68 HA PHE 68 -6.985 3.643 1.001 534 HB2 PHE 68 2HB PHE 68 -7.561 3.457 -1.440 535 HB3 PHE 68 1HB PHE 68 -6.381 4.725 -1.757 536 HD1 PHE 68 1HD PHE 68 -3.975 4.304 -0.987 537 HD2 PHE 68 2HD PHE 68 -6.897 1.235 -1.378 538 HE1 PHE 68 1HE PHE 68 -2.185 2.623 -1.115 539 HE2 PHE 68 2HE PHE 68 -5.111 -0.453 -1.506 540 HZ PHE 68 HZ PHE 68 -2.751 0.242 -1.375 541 H GLU 69 H GLU 69 -6.157 6.753 -0.508 542 HA GLU 69 HA GLU 69 -3.469 6.846 0.172 543 HB2 GLU 69 2HB GLU 69 -4.936 8.457 -1.253 544 HB3 GLU 69 1HB GLU 69 -5.205 9.295 0.268 545 HG2 GLU 69 2HG GLU 69 -2.434 8.876 0.068 546 HG3 GLU 69 1HG GLU 69 -2.979 9.433 -1.516 547 H ASP 70 H ASP 70 -6.330 7.580 2.064 548 HA ASP 70 HA ASP 70 -4.981 8.753 4.272 549 HB2 ASP 70 2HB ASP 70 -7.493 8.850 3.651 550 HB3 ASP 70 1HB ASP 70 -7.609 7.307 4.491 551 H ALA 71 H ALA 71 -6.272 5.487 3.706 552 HA ALA 71 HA ALA 71 -5.241 4.456 6.169 553 HB1 ALA 71 1HB ALA 71 -5.864 2.230 5.109 554 HB2 ALA 71 2HB ALA 71 -6.477 3.174 3.751 555 HB3 ALA 71 3HB ALA 71 -7.170 3.389 5.358 556 H ALA 72 H ALA 72 -3.793 5.182 3.212 557 HA ALA 72 HA ALA 72 -1.971 3.048 2.934 558 HB1 ALA 72 1HB ALA 72 -1.304 5.840 2.095 559 HB2 ALA 72 2HB ALA 72 -2.585 4.941 1.283 560 HB3 ALA 72 3HB ALA 72 -0.936 4.314 1.293 561 H PHE 73 H PHE 73 -1.681 6.181 4.580 562 HA PHE 73 HA PHE 73 0.908 5.352 5.669 563 HB2 PHE 73 2HB PHE 73 0.925 7.776 6.512 564 HB3 PHE 73 1HB PHE 73 1.078 7.516 4.779 565 HD1 PHE 73 1HD PHE 73 -1.672 7.929 7.277 566 HD2 PHE 73 2HD PHE 73 -0.110 8.947 3.451 567 HE1 PHE 73 1HE PHE 73 -3.596 9.411 6.889 568 HE2 PHE 73 2HE PHE 73 -2.030 10.433 3.057 569 HZ PHE 73 HZ PHE 73 -3.777 10.666 4.777 570 H ARG 74 H ARG 74 -1.937 4.517 6.577 571 HA ARG 74 HA ARG 74 -1.861 5.484 9.330 572 HB2 ARG 74 2HB ARG 74 -3.955 4.945 7.618 573 HB3 ARG 74 1HB ARG 74 -3.936 3.530 8.662 574 HG2 ARG 74 2HG ARG 74 -4.114 4.946 10.626 575 HG3 ARG 74 1HG ARG 74 -4.061 6.387 9.608 576 HD2 ARG 74 2HD ARG 74 -6.099 4.939 8.481 577 HD3 ARG 74 1HD ARG 74 -6.279 4.576 10.197 578 HE ARG 74 HE ARG 74 -5.949 7.376 9.642 579 HH11 ARG 74 1HH1 ARG 74 -8.250 4.762 9.877 580 HH12 ARG 74 2HH1 ARG 74 -9.594 5.808 10.194 581 HH21 ARG 74 1HH2 ARG 74 -7.714 8.751 10.059 582 HH22 ARG 74 2HH2 ARG 74 -9.290 8.074 10.296 583 H LEU 75 H LEU 75 -1.245 2.632 7.436 584 HA LEU 75 HA LEU 75 -0.837 1.068 9.884 585 HB2 LEU 75 2HB LEU 75 -1.148 0.238 7.011 586 HB3 LEU 75 1HB LEU 75 -0.694 -0.874 8.280 587 HG LEU 75 HG LEU 75 -3.331 0.289 7.646 588 HD11 LEU 75 1HD1 LEU 75 -3.900 -1.950 8.797 589 HD12 LEU 75 2HD1 LEU 75 -2.171 -2.270 8.648 590 HD13 LEU 75 3HD1 LEU 75 -3.142 -1.965 7.205 591 HD21 LEU 75 3HD2 LEU 75 -2.542 -0.297 10.501 592 HD22 LEU 75 1HD2 LEU 75 -4.158 0.105 9.919 593 HD23 LEU 75 2HD2 LEU 75 -2.871 1.309 9.849 594 H GLN 76 H GLN 76 1.114 2.576 10.045 595 HA GLN 76 HA GLN 76 3.360 2.002 8.365 596 HB2 GLN 76 2HB GLN 76 2.917 3.563 10.880 597 HB3 GLN 76 1HB GLN 76 4.559 3.153 10.405 598 HG2 GLN 76 2HG GLN 76 3.557 4.137 8.078 599 HG3 GLN 76 1HG GLN 76 2.696 5.107 9.272 600 HE21 GLN 76 1HE2 GLN 76 4.917 5.663 7.308 601 HE22 GLN 76 2HE2 GLN 76 6.135 6.445 8.252 602 H VAL 77 H VAL 77 1.872 0.507 11.024 603 HA VAL 77 HA VAL 77 4.095 -0.776 12.226 604 HB VAL 77 HB VAL 77 2.113 -0.678 13.520 605 HG11 VAL 77 1HG1 VAL 77 0.326 -0.365 12.121 606 HG12 VAL 77 2HG1 VAL 77 0.058 -2.035 12.616 607 HG13 VAL 77 3HG1 VAL 77 0.791 -1.686 11.050 608 HG21 VAL 77 3HG2 VAL 77 2.167 -2.757 14.378 609 HG22 VAL 77 1HG2 VAL 77 3.409 -3.040 13.157 610 HG23 VAL 77 2HG2 VAL 77 1.739 -3.514 12.841 611 H GLY 78 H GLY 78 2.183 -1.436 9.397 612 HA2 GLY 78 2HA GLY 78 2.941 -2.868 7.653 613 HA3 GLY 78 1HA GLY 78 3.895 -3.737 8.835 614 H GLU 79 H GLU 79 0.496 -2.891 8.417 615 HA GLU 79 HA GLU 79 -0.174 -5.736 8.676 616 HB2 GLU 79 2HB GLU 79 -0.295 -4.279 10.833 617 HB3 GLU 79 1HB GLU 79 -1.764 -3.663 10.120 618 HG2 GLU 79 2HG GLU 79 -1.745 -6.522 10.011 619 HG3 GLU 79 1HG GLU 79 -1.417 -5.976 11.655 620 H VAL 80 H VAL 80 -2.678 -5.939 8.370 621 HA VAL 80 HA VAL 80 -3.251 -4.663 5.846 622 HB VAL 80 HB VAL 80 -4.989 -6.600 7.386 623 HG11 VAL 80 1HG1 VAL 80 -5.190 -5.261 4.772 624 HG12 VAL 80 2HG1 VAL 80 -6.455 -5.871 5.837 625 HG13 VAL 80 3HG1 VAL 80 -5.577 -6.980 4.784 626 HG21 VAL 80 3HG2 VAL 80 -2.932 -7.726 6.969 627 HG22 VAL 80 1HG2 VAL 80 -2.854 -7.108 5.320 628 HG23 VAL 80 2HG2 VAL 80 -4.083 -8.294 5.761 629 H SER 81 H SER 81 -5.065 -3.320 5.438 630 HA SER 81 HA SER 81 -6.045 -1.970 7.853 631 HB2 SER 81 2HB SER 81 -4.823 -0.820 5.785 632 HB3 SER 81 1HB SER 81 -6.467 -0.798 5.145 633 HG SER 81 HG SER 81 -5.350 0.743 7.076 634 H GLU 82 H GLU 82 -8.240 -1.189 7.879 635 HA GLU 82 HA GLU 82 -10.131 -3.150 7.581 636 HB2 GLU 82 2HB GLU 82 -10.268 -0.190 7.883 637 HB3 GLU 82 1HB GLU 82 -11.751 -1.057 7.507 638 HG2 GLU 82 2HG GLU 82 -11.449 -2.450 9.484 639 HG3 GLU 82 1HG GLU 82 -9.952 -1.597 9.858 640 HA PRO 83 HA PRO 83 -11.513 -3.488 3.443 641 HB2 PRO 83 2HB PRO 83 -14.251 -3.276 3.740 642 HB3 PRO 83 1HB PRO 83 -13.322 -4.752 4.019 643 HG2 PRO 83 2HG PRO 83 -14.329 -2.741 5.987 644 HG3 PRO 83 1HG PRO 83 -14.275 -4.509 6.116 645 HD2 PRO 83 2HD PRO 83 -12.479 -2.959 7.366 646 HD3 PRO 83 1HD PRO 83 -12.022 -4.525 6.662 647 H VAL 84 H VAL 84 -10.848 -1.700 2.346 648 HA VAL 84 HA VAL 84 -12.453 0.749 2.573 649 HB VAL 84 HB VAL 84 -9.774 0.305 1.243 650 HG11 VAL 84 1HG1 VAL 84 -9.732 2.782 1.070 651 HG12 VAL 84 2HG1 VAL 84 -11.422 2.807 1.582 652 HG13 VAL 84 3HG1 VAL 84 -10.968 2.020 0.068 653 HG21 VAL 84 3HG2 VAL 84 -9.016 1.879 3.084 654 HG22 VAL 84 1HG2 VAL 84 -9.432 0.236 3.575 655 HG23 VAL 84 2HG2 VAL 84 -10.567 1.554 3.861 656 H LYS 85 H LYS 85 -14.183 0.563 1.269 657 HA LYS 85 HA LYS 85 -13.890 -0.581 -1.394 658 HB2 LYS 85 2HB LYS 85 -15.827 -1.283 -0.139 659 HB3 LYS 85 1HB LYS 85 -16.303 0.383 0.148 660 HG2 LYS 85 2HG LYS 85 -17.640 -0.787 -1.590 661 HG3 LYS 85 1HG LYS 85 -16.865 0.697 -2.148 662 HD2 LYS 85 2HD LYS 85 -15.433 -0.410 -3.534 663 HD3 LYS 85 1HD LYS 85 -15.374 -1.844 -2.507 664 HE2 LYS 85 2HE LYS 85 -16.682 -2.764 -4.080 665 HE3 LYS 85 1HE LYS 85 -17.977 -1.853 -3.303 666 HZ1 LYS 85 3HZ LYS 85 -16.851 -0.067 -5.028 667 HZ2 LYS 85 1HZ LYS 85 -18.284 -0.930 -5.287 668 HZ3 LYS 85 2HZ LYS 85 -16.821 -1.517 -5.898 669 H SER 86 H SER 86 -13.217 0.705 -2.964 670 HA SER 86 HA SER 86 -13.992 3.543 -2.908 671 HB2 SER 86 2HB SER 86 -11.549 2.120 -3.717 672 HB3 SER 86 1HB SER 86 -12.078 3.348 -4.867 673 HG SER 86 HG SER 86 -11.448 4.823 -3.521 674 H GLU 87 H GLU 87 -13.721 4.295 -5.468 675 HA GLU 87 HA GLU 87 -16.101 3.416 -6.677 676 HB2 GLU 87 2HB GLU 87 -15.354 4.725 -8.636 677 HB3 GLU 87 1HB GLU 87 -15.199 5.620 -7.132 678 HG2 GLU 87 2HG GLU 87 -12.749 4.665 -7.204 679 HG3 GLU 87 1HG GLU 87 -13.093 4.545 -8.929 680 H PHE 88 H PHE 88 -12.985 2.037 -6.651 681 HA PHE 88 HA PHE 88 -13.388 0.580 -9.141 682 HB2 PHE 88 2HB PHE 88 -11.099 1.185 -7.384 683 HB3 PHE 88 1HB PHE 88 -11.073 -0.416 -8.112 684 HD1 PHE 88 1HD PHE 88 -11.490 -0.500 -10.679 685 HD2 PHE 88 2HD PHE 88 -10.273 2.984 -8.559 686 HE1 PHE 88 1HE PHE 88 -10.631 0.468 -12.771 687 HE2 PHE 88 2HE PHE 88 -9.411 3.958 -10.648 688 HZ PHE 88 HZ PHE 88 -9.589 2.699 -12.757 689 H GLY 89 H GLY 89 -13.203 -0.022 -5.652 690 HA2 GLY 89 2HA GLY 89 -14.965 -2.078 -5.465 691 HA3 GLY 89 1HA GLY 89 -13.494 -2.879 -5.987 692 H TYR 90 H TYR 90 -13.941 -3.988 -3.887 693 HA TYR 90 HA TYR 90 -13.428 -2.551 -1.463 694 HB2 TYR 90 2HB TYR 90 -14.365 -5.152 -2.266 695 HB3 TYR 90 1HB TYR 90 -13.102 -5.330 -1.067 696 HD1 TYR 90 1HD TYR 90 -16.238 -3.423 -1.701 697 HD2 TYR 90 2HD TYR 90 -13.671 -5.189 1.194 698 HE1 TYR 90 1HE TYR 90 -17.878 -2.910 0.057 699 HE2 TYR 90 2HE TYR 90 -15.307 -4.687 2.959 700 HH TYR 90 HH TYR 90 -17.217 -2.877 3.236 701 H HIS 91 H HIS 91 -11.438 -1.658 -1.421 702 HA HIS 91 HA HIS 91 -9.119 -3.152 -2.297 703 HB2 HIS 91 2HB HIS 91 -9.495 -0.344 -1.270 704 HB3 HIS 91 1HB HIS 91 -7.918 -1.016 -1.661 705 HD1 HIS 91 1HD HIS 91 -11.249 -0.918 -3.512 706 HD2 HIS 91 2HD HIS 91 -7.207 -0.168 -4.117 707 HE1 HIS 91 1HE HIS 91 -11.052 -0.196 -5.911 708 HE2 HIS 91 2HE HIS 91 -8.609 0.338 -6.230 709 H VAL 92 H VAL 92 -7.145 -3.115 -0.996 710 HA VAL 92 HA VAL 92 -7.495 -3.206 1.900 711 HB VAL 92 HB VAL 92 -6.256 -5.502 0.366 712 HG11 VAL 92 1HG1 VAL 92 -5.274 -5.093 2.569 713 HG12 VAL 92 2HG1 VAL 92 -6.171 -6.612 2.530 714 HG13 VAL 92 3HG1 VAL 92 -6.877 -5.191 3.300 715 HG21 VAL 92 3HG2 VAL 92 -9.016 -5.028 1.306 716 HG22 VAL 92 1HG2 VAL 92 -8.341 -6.624 1.635 717 HG23 VAL 92 2HG2 VAL 92 -8.423 -6.025 -0.022 718 H ILE 93 H ILE 93 -5.433 -2.982 3.033 719 HA ILE 93 HA ILE 93 -3.155 -2.384 1.281 720 HB ILE 93 HB ILE 93 -3.384 -0.498 3.510 721 HG12 ILE 93 2HG1 ILE 93 -5.417 -0.502 1.277 722 HG13 ILE 93 1HG1 ILE 93 -5.721 -0.480 3.008 723 HG21 ILE 93 1HG2 ILE 93 -2.788 1.075 1.614 724 HG22 ILE 93 2HG2 ILE 93 -2.716 -0.352 0.584 725 HG23 ILE 93 3HG2 ILE 93 -1.629 -0.206 1.963 726 HD11 ILE 93 3HD1 ILE 93 -4.638 1.747 1.310 727 HD12 ILE 93 1HD1 ILE 93 -4.651 1.781 3.073 728 HD13 ILE 93 2HD1 ILE 93 -6.171 1.690 2.182 729 H LYS 94 H LYS 94 -1.405 -3.364 1.924 730 HA LYS 94 HA LYS 94 -0.924 -3.727 4.796 731 HB2 LYS 94 2HB LYS 94 -1.677 -5.850 3.580 732 HB3 LYS 94 1HB LYS 94 -0.124 -5.794 2.759 733 HG2 LYS 94 2HG LYS 94 -0.381 -5.804 5.751 734 HG3 LYS 94 1HG LYS 94 -0.273 -7.280 4.790 735 HD2 LYS 94 2HD LYS 94 1.814 -5.777 3.826 736 HD3 LYS 94 1HD LYS 94 1.806 -5.369 5.542 737 HE2 LYS 94 2HE LYS 94 2.868 -7.277 5.947 738 HE3 LYS 94 1HE LYS 94 1.432 -8.146 5.407 739 HZ1 LYS 94 3HZ LYS 94 3.726 -7.311 3.716 740 HZ2 LYS 94 1HZ LYS 94 2.318 -8.044 3.131 741 HZ3 LYS 94 2HZ LYS 94 3.339 -8.890 4.181 742 H ARG 95 H ARG 95 0.719 -2.404 5.207 743 HA ARG 95 HA ARG 95 2.535 -1.416 3.364 744 HB2 ARG 95 2HB ARG 95 2.092 -0.337 5.507 745 HB3 ARG 95 1HB ARG 95 2.868 -1.668 6.346 746 HG2 ARG 95 2HG ARG 95 4.811 -0.875 4.590 747 HG3 ARG 95 1HG ARG 95 4.035 0.649 5.021 748 HD2 ARG 95 2HD ARG 95 4.407 0.242 7.359 749 HD3 ARG 95 1HD ARG 95 5.004 -1.384 7.025 750 HE ARG 95 HE ARG 95 7.042 -0.492 6.472 751 HH11 ARG 95 1HH1 ARG 95 4.678 2.074 6.606 752 HH12 ARG 95 2HH1 ARG 95 5.856 3.333 6.465 753 HH21 ARG 95 1HH2 ARG 95 8.591 1.166 6.289 754 HH22 ARG 95 2HH2 ARG 95 8.077 2.821 6.285 755 H LEU 96 H LEU 96 4.434 -1.964 2.626 756 HA LEU 96 HA LEU 96 6.048 -4.036 3.754 757 HB2 LEU 96 2HB LEU 96 5.810 -5.607 2.137 758 HB3 LEU 96 1HB LEU 96 4.201 -4.934 2.053 759 HG LEU 96 HG LEU 96 5.244 -3.405 0.194 760 HD11 LEU 96 1HD1 LEU 96 7.505 -3.875 0.196 761 HD12 LEU 96 2HD1 LEU 96 6.920 -4.933 -1.090 762 HD13 LEU 96 3HD1 LEU 96 7.250 -5.592 0.511 763 HD21 LEU 96 3HD2 LEU 96 4.577 -6.314 -0.202 764 HD22 LEU 96 1HD2 LEU 96 4.694 -5.123 -1.499 765 HD23 LEU 96 2HD2 LEU 96 3.464 -4.946 -0.247 766 H GLY 97 H GLY 97 7.988 -3.113 3.714 767 HA2 GLY 97 2HA GLY 97 9.042 -2.011 1.263 768 HA3 GLY 97 1HA GLY 97 8.829 -0.843 2.551 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 22.925 14.665 -6.810 2 H2 GLY 1 2HT GLY 1 22.861 13.255 -7.743 3 H3 GLY 1 3HT GLY 1 22.663 13.168 -6.066 4 HA2 GLY 1 1HA GLY 1 20.785 14.157 -8.107 5 HA3 GLY 1 2HA GLY 1 20.502 12.984 -6.830 6 HA PRO 2 HA PRO 2 19.489 17.666 -5.762 7 HB2 PRO 2 2HB PRO 2 16.720 16.776 -6.391 8 HB3 PRO 2 1HB PRO 2 17.492 18.340 -6.676 9 HG2 PRO 2 2HG PRO 2 17.068 16.647 -8.688 10 HG3 PRO 2 1HG PRO 2 18.553 17.614 -8.606 11 HD2 PRO 2 2HD PRO 2 18.135 14.720 -7.988 12 HD3 PRO 2 1HD PRO 2 19.520 15.523 -8.759 13 H MET 3 H MET 3 18.968 18.077 -3.681 14 HA MET 3 HA MET 3 18.632 15.986 -1.849 15 HB2 MET 3 2HB MET 3 18.127 17.811 -0.208 16 HB3 MET 3 1HB MET 3 19.611 18.047 -1.120 17 HG2 MET 3 2HG MET 3 18.843 20.106 -1.468 18 HG3 MET 3 1HG MET 3 17.801 19.353 -2.674 19 HE1 MET 3 3HE MET 3 17.344 22.191 -0.899 20 HE2 MET 3 1HE MET 3 15.585 22.092 -0.832 21 HE3 MET 3 2HE MET 3 16.435 21.682 -2.322 22 H GLY 4 H GLY 4 16.884 15.077 -0.872 23 HA2 GLY 4 2HA GLY 4 14.429 15.832 -0.303 24 HA3 GLY 4 1HA GLY 4 14.281 15.713 -2.050 25 H SER 5 H SER 5 16.329 13.400 -1.813 26 HA SER 5 HA SER 5 14.459 11.309 -1.951 27 HB2 SER 5 2HB SER 5 16.518 9.827 -1.789 28 HB3 SER 5 1HB SER 5 16.534 11.019 -3.086 29 HG SER 5 HG SER 5 18.453 10.745 -1.553 30 H MET 6 H MET 6 13.619 9.961 -0.475 31 HA MET 6 HA MET 6 14.777 9.209 1.952 32 HB2 MET 6 2HB MET 6 13.293 10.472 3.528 33 HB3 MET 6 1HB MET 6 14.498 11.462 2.719 34 HG2 MET 6 2HG MET 6 12.763 12.175 1.106 35 HG3 MET 6 1HG MET 6 11.575 11.272 2.040 36 HE1 MET 6 3HE MET 6 12.187 14.276 1.034 37 HE2 MET 6 1HE MET 6 12.075 15.460 2.336 38 HE3 MET 6 2HE MET 6 10.674 14.473 1.918 39 H ALA 7 H ALA 7 12.740 8.613 3.573 40 HA ALA 7 HA ALA 7 11.146 6.789 1.946 41 HB1 ALA 7 1HB ALA 7 12.462 6.205 4.116 42 HB2 ALA 7 2HB ALA 7 10.876 5.491 3.830 43 HB3 ALA 7 3HB ALA 7 11.040 6.858 4.930 44 H ASP 8 H ASP 8 10.511 9.630 1.912 45 HA ASP 8 HA ASP 8 8.374 10.340 3.545 46 HB2 ASP 8 2HB ASP 8 9.523 11.938 2.085 47 HB3 ASP 8 1HB ASP 8 8.881 11.120 0.664 48 H LYS 9 H LYS 9 8.524 8.174 0.845 49 HA LYS 9 HA LYS 9 5.694 8.082 0.408 50 HB2 LYS 9 2HB LYS 9 8.076 6.628 -0.672 51 HB3 LYS 9 1HB LYS 9 6.450 6.085 -1.034 52 HG2 LYS 9 2HG LYS 9 7.342 7.452 -2.811 53 HG3 LYS 9 1HG LYS 9 5.952 8.236 -2.064 54 HD2 LYS 9 2HD LYS 9 8.593 8.913 -0.938 55 HD3 LYS 9 1HD LYS 9 8.290 9.476 -2.582 56 HE2 LYS 9 2HE LYS 9 5.946 10.064 -1.266 57 HE3 LYS 9 1HE LYS 9 7.184 10.393 -0.059 58 HZ1 LYS 9 3HZ LYS 9 8.100 12.058 -1.309 59 HZ2 LYS 9 1HZ LYS 9 6.473 12.223 -1.747 60 HZ3 LYS 9 2HZ LYS 9 7.551 11.427 -2.780 61 H ILE 10 H ILE 10 4.567 5.993 0.442 62 HA ILE 10 HA ILE 10 5.340 4.438 2.816 63 HB ILE 10 HB ILE 10 2.571 4.126 1.871 64 HG12 ILE 10 2HG1 ILE 10 3.360 6.697 3.254 65 HG13 ILE 10 1HG1 ILE 10 2.987 6.574 1.537 66 HG21 ILE 10 1HG2 ILE 10 2.103 3.861 4.130 67 HG22 ILE 10 2HG2 ILE 10 3.481 4.840 4.633 68 HG23 ILE 10 3HG2 ILE 10 3.740 3.222 3.980 69 HD11 ILE 10 3HD1 ILE 10 1.053 7.371 2.675 70 HD12 ILE 10 1HD1 ILE 10 1.138 6.052 3.843 71 HD13 ILE 10 2HD1 ILE 10 0.742 5.714 2.159 72 H LYS 11 H LYS 11 5.483 2.306 2.650 73 HA LYS 11 HA LYS 11 5.207 1.183 -0.048 74 HB2 LYS 11 2HB LYS 11 6.881 0.029 2.177 75 HB3 LYS 11 1HB LYS 11 6.991 -0.286 0.448 76 HG2 LYS 11 2HG LYS 11 8.330 1.464 0.089 77 HG3 LYS 11 1HG LYS 11 7.385 2.548 1.126 78 HD2 LYS 11 2HD LYS 11 9.203 2.438 2.456 79 HD3 LYS 11 1HD LYS 11 8.511 0.897 2.967 80 HE2 LYS 11 2HE LYS 11 10.213 -0.242 2.096 81 HE3 LYS 11 1HE LYS 11 10.060 0.592 0.550 82 HZ1 LYS 11 3HZ LYS 11 11.293 2.474 1.609 83 HZ2 LYS 11 1HZ LYS 11 12.203 1.062 1.397 84 HZ3 LYS 11 2HZ LYS 11 11.605 1.462 2.927 85 H CYS 12 H CYS 12 3.143 0.480 -0.048 86 HA CYS 12 HA CYS 12 2.458 -1.594 1.924 87 HB2 CYS 12 2HB CYS 12 1.311 0.764 2.034 88 HB3 CYS 12 1HB CYS 12 0.358 0.155 0.687 89 HG CYS 12 HG CYS 12 -0.710 -1.560 2.246 90 H SER 13 H SER 13 0.329 -2.755 1.025 91 HA SER 13 HA SER 13 0.757 -3.374 -1.816 92 HB2 SER 13 2HB SER 13 1.635 -5.299 -0.847 93 HB3 SER 13 1HB SER 13 0.535 -5.230 0.530 94 HG SER 13 HG SER 13 0.153 -6.293 -2.012 95 H HIS 14 H HIS 14 -1.186 -4.302 -2.886 96 HA HIS 14 HA HIS 14 -3.676 -3.645 -1.491 97 HB2 HIS 14 2HB HIS 14 -4.543 -2.353 -3.287 98 HB3 HIS 14 1HB HIS 14 -2.938 -1.726 -2.939 99 HD1 HIS 14 1HD HIS 14 -1.970 -4.521 -4.672 100 HD2 HIS 14 2HD HIS 14 -3.987 -1.091 -5.867 101 HE1 HIS 14 1HE HIS 14 -1.621 -4.367 -7.157 102 HE2 HIS 14 2HE HIS 14 -2.750 -2.220 -7.838 103 H ILE 15 H ILE 15 -5.545 -4.644 -2.203 104 HA ILE 15 HA ILE 15 -5.434 -6.627 -4.307 105 HB ILE 15 HB ILE 15 -5.705 -7.405 -1.404 106 HG12 ILE 15 2HG1 ILE 15 -4.135 -9.269 -2.548 107 HG13 ILE 15 1HG1 ILE 15 -3.785 -7.913 -3.606 108 HG21 ILE 15 1HG2 ILE 15 -7.561 -8.377 -2.830 109 HG22 ILE 15 2HG2 ILE 15 -6.541 -9.537 -1.982 110 HG23 ILE 15 3HG2 ILE 15 -6.302 -9.249 -3.704 111 HD11 ILE 15 3HD1 ILE 15 -3.065 -8.355 -0.790 112 HD12 ILE 15 1HD1 ILE 15 -3.519 -6.709 -1.230 113 HD13 ILE 15 2HD1 ILE 15 -2.196 -7.513 -2.073 114 H LEU 16 H LEU 16 -7.265 -6.254 -5.386 115 HA LEU 16 HA LEU 16 -9.597 -5.243 -3.940 116 HB2 LEU 16 2HB LEU 16 -8.481 -4.861 -6.596 117 HB3 LEU 16 1HB LEU 16 -10.196 -5.199 -6.643 118 HG LEU 16 HG LEU 16 -9.966 -2.849 -6.597 119 HD11 LEU 16 1HD1 LEU 16 -10.559 -2.743 -3.834 120 HD12 LEU 16 2HD1 LEU 16 -11.217 -4.250 -4.471 121 HD13 LEU 16 3HD1 LEU 16 -11.671 -2.711 -5.201 122 HD21 LEU 16 3HD2 LEU 16 -7.598 -3.322 -5.284 123 HD22 LEU 16 1HD2 LEU 16 -8.594 -2.545 -4.055 124 HD23 LEU 16 2HD2 LEU 16 -8.312 -1.741 -5.598 125 H VAL 17 H VAL 17 -11.546 -6.226 -3.889 126 HA VAL 17 HA VAL 17 -12.161 -8.468 -5.601 127 HB VAL 17 HB VAL 17 -12.736 -10.004 -3.766 128 HG11 VAL 17 1HG1 VAL 17 -10.411 -9.829 -4.977 129 HG12 VAL 17 2HG1 VAL 17 -10.684 -10.974 -3.664 130 HG13 VAL 17 3HG1 VAL 17 -9.850 -9.450 -3.350 131 HG21 VAL 17 3HG2 VAL 17 -11.935 -7.719 -2.147 132 HG22 VAL 17 1HG2 VAL 17 -11.219 -9.242 -1.619 133 HG23 VAL 17 2HG2 VAL 17 -12.971 -9.092 -1.750 134 H LYS 18 H LYS 18 -14.329 -8.579 -5.968 135 HA LYS 18 HA LYS 18 -16.027 -6.563 -4.919 136 HB2 LYS 18 2HB LYS 18 -16.383 -8.954 -6.669 137 HB3 LYS 18 1HB LYS 18 -17.821 -8.273 -5.920 138 HG2 LYS 18 2HG LYS 18 -17.918 -6.802 -7.568 139 HG3 LYS 18 1HG LYS 18 -16.414 -6.094 -6.975 140 HD2 LYS 18 2HD LYS 18 -15.380 -8.135 -8.335 141 HD3 LYS 18 1HD LYS 18 -16.882 -7.951 -9.244 142 HE2 LYS 18 2HE LYS 18 -14.931 -5.722 -8.681 143 HE3 LYS 18 1HE LYS 18 -14.982 -6.652 -10.178 144 HZ1 LYS 18 3HZ LYS 18 -17.193 -5.851 -10.599 145 HZ2 LYS 18 1HZ LYS 18 -16.174 -4.527 -10.328 146 HZ3 LYS 18 2HZ LYS 18 -17.237 -5.040 -9.116 147 H LYS 19 H LYS 19 -15.020 -9.617 -3.818 148 HA LYS 19 HA LYS 19 -17.206 -10.310 -2.155 149 HB2 LYS 19 2HB LYS 19 -14.912 -11.487 -3.114 150 HB3 LYS 19 1HB LYS 19 -14.540 -11.247 -1.429 151 HG2 LYS 19 2HG LYS 19 -16.626 -12.931 -2.683 152 HG3 LYS 19 1HG LYS 19 -15.430 -13.372 -1.470 153 HD2 LYS 19 2HD LYS 19 -17.086 -13.170 0.024 154 HD3 LYS 19 1HD LYS 19 -16.918 -11.429 -0.201 155 HE2 LYS 19 2HE LYS 19 -18.536 -11.787 -2.195 156 HE3 LYS 19 1HE LYS 19 -18.918 -13.310 -1.392 157 HZ1 LYS 19 3HZ LYS 19 -20.460 -11.655 -0.677 158 HZ2 LYS 19 1HZ LYS 19 -19.220 -10.580 -0.267 159 HZ3 LYS 19 2HZ LYS 19 -19.436 -12.001 0.625 160 H GLN 20 H GLN 20 -17.505 -8.172 -1.151 161 HA GLN 20 HA GLN 20 -15.716 -6.728 0.298 162 HB2 GLN 20 2HB GLN 20 -17.701 -6.095 1.769 163 HB3 GLN 20 1HB GLN 20 -17.862 -5.819 0.040 164 HG2 GLN 20 2HG GLN 20 -19.343 -7.587 -0.232 165 HG3 GLN 20 1HG GLN 20 -18.875 -8.338 1.292 166 HE21 GLN 20 1HE2 GLN 20 -19.999 -7.873 3.078 167 HE22 GLN 20 2HE2 GLN 20 -21.262 -6.698 3.178 168 H GLY 21 H GLY 21 -17.402 -9.636 1.447 169 HA2 GLY 21 2HA GLY 21 -16.439 -9.378 4.116 170 HA3 GLY 21 1HA GLY 21 -17.143 -10.824 3.418 171 H GLU 22 H GLU 22 -15.173 -10.875 1.240 172 HA GLU 22 HA GLU 22 -13.216 -12.487 2.487 173 HB2 GLU 22 2HB GLU 22 -12.591 -13.002 0.376 174 HB3 GLU 22 1HB GLU 22 -14.113 -12.248 -0.035 175 HG2 GLU 22 2HG GLU 22 -12.665 -11.290 -1.528 176 HG3 GLU 22 1HG GLU 22 -12.677 -10.109 -0.219 177 H ALA 23 H ALA 23 -13.259 -9.205 1.308 178 HA ALA 23 HA ALA 23 -10.661 -8.428 1.330 179 HB1 ALA 23 1HB ALA 23 -11.491 -6.173 2.134 180 HB2 ALA 23 2HB ALA 23 -13.081 -6.916 2.290 181 HB3 ALA 23 3HB ALA 23 -12.300 -6.831 0.710 182 H LEU 24 H LEU 24 -12.759 -8.800 4.153 183 HA LEU 24 HA LEU 24 -10.786 -7.986 6.082 184 HB2 LEU 24 2HB LEU 24 -13.540 -8.515 6.081 185 HB3 LEU 24 1HB LEU 24 -12.851 -9.770 7.093 186 HG LEU 24 HG LEU 24 -13.568 -7.832 8.406 187 HD11 LEU 24 1HD1 LEU 24 -11.948 -8.813 9.633 188 HD12 LEU 24 2HD1 LEU 24 -11.079 -7.321 9.269 189 HD13 LEU 24 3HD1 LEU 24 -10.775 -8.775 8.318 190 HD21 LEU 24 3HD2 LEU 24 -13.354 -5.863 7.349 191 HD22 LEU 24 1HD2 LEU 24 -11.985 -6.412 6.383 192 HD23 LEU 24 2HD2 LEU 24 -11.733 -5.868 8.042 193 H ALA 25 H ALA 25 -12.043 -11.110 4.930 194 HA ALA 25 HA ALA 25 -10.669 -12.810 6.618 195 HB1 ALA 25 1HB ALA 25 -11.005 -13.438 3.702 196 HB2 ALA 25 2HB ALA 25 -12.389 -13.359 4.794 197 HB3 ALA 25 3HB ALA 25 -11.098 -14.525 5.089 198 H VAL 26 H VAL 26 -9.589 -11.738 3.384 199 HA VAL 26 HA VAL 26 -7.061 -12.875 3.467 200 HB VAL 26 HB VAL 26 -6.412 -11.455 1.685 201 HG11 VAL 26 1HG1 VAL 26 -8.271 -11.633 0.136 202 HG12 VAL 26 2HG1 VAL 26 -9.393 -11.846 1.480 203 HG13 VAL 26 3HG1 VAL 26 -8.170 -13.074 1.149 204 HG21 VAL 26 3HG2 VAL 26 -6.978 -9.307 2.728 205 HG22 VAL 26 1HG2 VAL 26 -8.686 -9.617 2.418 206 HG23 VAL 26 2HG2 VAL 26 -7.571 -9.409 1.070 207 H GLN 27 H GLN 27 -8.255 -9.946 4.961 208 HA GLN 27 HA GLN 27 -5.888 -8.603 5.483 209 HB2 GLN 27 2HB GLN 27 -8.237 -8.879 7.360 210 HB3 GLN 27 1HB GLN 27 -7.036 -7.624 7.418 211 HG2 GLN 27 2HG GLN 27 -7.779 -7.023 5.063 212 HG3 GLN 27 1HG GLN 27 -9.173 -8.037 5.403 213 HE21 GLN 27 1HE2 GLN 27 -9.349 -5.297 4.853 214 HE22 GLN 27 2HE2 GLN 27 -9.926 -4.493 6.268 215 H GLU 28 H GLU 28 -7.545 -10.881 7.652 216 HA GLU 28 HA GLU 28 -5.301 -11.163 9.391 217 HB2 GLU 28 2HB GLU 28 -7.023 -11.777 10.688 218 HB3 GLU 28 1HB GLU 28 -8.067 -12.016 9.296 219 HG2 GLU 28 2HG GLU 28 -7.101 -14.280 9.017 220 HG3 GLU 28 1HG GLU 28 -6.172 -14.027 10.495 221 H ARG 29 H ARG 29 -6.386 -12.751 6.515 222 HA ARG 29 HA ARG 29 -4.864 -15.152 6.887 223 HB2 ARG 29 2HB ARG 29 -7.002 -14.760 5.475 224 HB3 ARG 29 1HB ARG 29 -5.893 -14.172 4.246 225 HG2 ARG 29 2HG ARG 29 -6.367 -16.454 3.790 226 HG3 ARG 29 1HG ARG 29 -4.701 -16.350 4.366 227 HD2 ARG 29 2HD ARG 29 -5.839 -18.244 5.380 228 HD3 ARG 29 1HD ARG 29 -5.437 -17.037 6.600 229 HE ARG 29 HE ARG 29 -7.675 -16.705 6.970 230 HH11 ARG 29 1HH1 ARG 29 -7.266 -18.499 4.007 231 HH12 ARG 29 2HH1 ARG 29 -8.952 -18.856 3.842 232 HH21 ARG 29 1HH2 ARG 29 -9.894 -17.174 6.758 233 HH22 ARG 29 2HH2 ARG 29 -10.445 -18.104 5.405 234 H LEU 30 H LEU 30 -4.307 -12.048 5.366 235 HA LEU 30 HA LEU 30 -2.212 -12.691 3.657 236 HB2 LEU 30 2HB LEU 30 -3.485 -10.475 3.994 237 HB3 LEU 30 1HB LEU 30 -2.297 -10.134 5.232 238 HG LEU 30 HG LEU 30 -1.626 -9.041 3.209 239 HD11 LEU 30 1HD1 LEU 30 0.572 -9.704 3.143 240 HD12 LEU 30 2HD1 LEU 30 0.171 -11.420 3.224 241 HD13 LEU 30 3HD1 LEU 30 0.045 -10.415 4.669 242 HD21 LEU 30 3HD2 LEU 30 -1.813 -9.883 1.137 243 HD22 LEU 30 1HD2 LEU 30 -2.894 -11.056 1.893 244 HD23 LEU 30 2HD2 LEU 30 -1.201 -11.466 1.615 245 H LYS 31 H LYS 31 -1.932 -11.394 6.970 246 HA LYS 31 HA LYS 31 0.865 -11.930 7.117 247 HB2 LYS 31 2HB LYS 31 0.664 -11.276 9.464 248 HB3 LYS 31 1HB LYS 31 -0.171 -10.137 8.418 249 HG2 LYS 31 2HG LYS 31 -1.933 -12.243 9.314 250 HG3 LYS 31 1HG LYS 31 -1.192 -11.388 10.668 251 HD2 LYS 31 2HD LYS 31 -1.928 -9.388 8.869 252 HD3 LYS 31 1HD LYS 31 -3.274 -10.527 8.854 253 HE2 LYS 31 2HE LYS 31 -3.239 -10.431 11.369 254 HE3 LYS 31 1HE LYS 31 -2.092 -9.100 11.226 255 HZ1 LYS 31 3HZ LYS 31 -4.782 -9.091 9.976 256 HZ2 LYS 31 1HZ LYS 31 -3.705 -7.791 10.102 257 HZ3 LYS 31 2HZ LYS 31 -4.448 -8.410 11.488 258 H ALA 32 H ALA 32 -1.809 -13.945 7.321 259 HA ALA 32 HA ALA 32 -1.175 -15.693 9.397 260 HB1 ALA 32 1HB ALA 32 -3.300 -15.615 8.042 261 HB2 ALA 32 2HB ALA 32 -2.676 -17.227 8.392 262 HB3 ALA 32 3HB ALA 32 -2.441 -16.518 6.794 263 H GLY 33 H GLY 33 0.238 -15.307 6.261 264 HA2 GLY 33 2HA GLY 33 2.606 -16.452 6.567 265 HA3 GLY 33 1HA GLY 33 1.585 -17.864 6.366 266 H GLU 34 H GLU 34 -0.136 -16.033 4.549 267 HA GLU 34 HA GLU 34 1.166 -16.854 2.114 268 HB2 GLU 34 2HB GLU 34 -0.816 -15.991 0.987 269 HB3 GLU 34 1HB GLU 34 -1.268 -17.014 2.341 270 HG2 GLU 34 2HG GLU 34 -1.504 -14.877 3.684 271 HG3 GLU 34 1HG GLU 34 -1.394 -14.028 2.145 272 H LYS 35 H LYS 35 1.581 -15.418 0.327 273 HA LYS 35 HA LYS 35 2.753 -12.906 1.257 274 HB2 LYS 35 2HB LYS 35 4.064 -14.630 -0.083 275 HB3 LYS 35 1HB LYS 35 3.090 -14.152 -1.466 276 HG2 LYS 35 2HG LYS 35 4.219 -12.241 -1.764 277 HG3 LYS 35 1HG LYS 35 4.339 -11.924 -0.031 278 HD2 LYS 35 2HD LYS 35 5.977 -14.074 -0.284 279 HD3 LYS 35 1HD LYS 35 6.214 -13.284 -1.844 280 HE2 LYS 35 2HE LYS 35 6.662 -11.159 -0.618 281 HE3 LYS 35 1HE LYS 35 6.588 -12.069 0.890 282 HZ1 LYS 35 3HZ LYS 35 8.856 -11.642 -0.264 283 HZ2 LYS 35 1HZ LYS 35 8.413 -12.955 -1.236 284 HZ3 LYS 35 2HZ LYS 35 8.544 -13.149 0.440 285 H PHE 36 H PHE 36 2.137 -10.933 0.569 286 HA PHE 36 HA PHE 36 -0.418 -10.398 -0.265 287 HB2 PHE 36 2HB PHE 36 0.650 -8.192 -1.176 288 HB3 PHE 36 1HB PHE 36 0.705 -8.536 0.549 289 HD1 PHE 36 1HD PHE 36 2.713 -8.953 -2.560 290 HD2 PHE 36 2HD PHE 36 2.722 -8.433 1.663 291 HE1 PHE 36 1HE PHE 36 5.163 -8.725 -2.598 292 HE2 PHE 36 2HE PHE 36 5.172 -8.201 1.634 293 HZ PHE 36 HZ PHE 36 6.395 -8.348 -0.500 294 H GLY 37 H GLY 37 2.387 -11.138 -2.220 295 HA2 GLY 37 2HA GLY 37 1.335 -10.378 -4.727 296 HA3 GLY 37 1HA GLY 37 2.637 -11.529 -4.464 297 H LYS 38 H LYS 38 1.092 -13.324 -2.834 298 HA LYS 38 HA LYS 38 0.073 -15.018 -4.815 299 HB2 LYS 38 2HB LYS 38 0.659 -15.224 -2.114 300 HB3 LYS 38 1HB LYS 38 -1.080 -15.473 -2.171 301 HG2 LYS 38 2HG LYS 38 0.735 -16.970 -4.018 302 HG3 LYS 38 1HG LYS 38 0.486 -17.508 -2.356 303 HD2 LYS 38 2HD LYS 38 -2.076 -17.006 -3.275 304 HD3 LYS 38 1HD LYS 38 -1.265 -17.723 -4.668 305 HE2 LYS 38 2HE LYS 38 -0.744 -19.064 -2.108 306 HE3 LYS 38 1HE LYS 38 -2.420 -19.130 -2.649 307 HZ1 LYS 38 3HZ LYS 38 -1.903 -20.454 -4.379 308 HZ2 LYS 38 1HZ LYS 38 -0.570 -20.866 -3.421 309 HZ3 LYS 38 2HZ LYS 38 -0.404 -19.724 -4.657 310 H LEU 39 H LEU 39 -1.677 -13.102 -2.373 311 HA LEU 39 HA LEU 39 -4.262 -13.700 -3.180 312 HB2 LEU 39 2HB LEU 39 -3.224 -11.128 -2.010 313 HB3 LEU 39 1HB LEU 39 -4.914 -11.548 -2.138 314 HG LEU 39 HG LEU 39 -4.365 -11.983 0.097 315 HD11 LEU 39 1HD1 LEU 39 -4.422 -14.468 0.300 316 HD12 LEU 39 2HD1 LEU 39 -4.231 -14.557 -1.451 317 HD13 LEU 39 3HD1 LEU 39 -5.653 -13.782 -0.756 318 HD21 LEU 39 3HD2 LEU 39 -1.835 -11.965 -0.477 319 HD22 LEU 39 1HD2 LEU 39 -2.030 -13.715 -0.580 320 HD23 LEU 39 2HD2 LEU 39 -2.409 -12.875 0.922 321 H ALA 40 H ALA 40 -1.967 -11.369 -4.460 322 HA ALA 40 HA ALA 40 -3.600 -9.742 -5.968 323 HB1 ALA 40 1HB ALA 40 -1.158 -9.467 -5.700 324 HB2 ALA 40 2HB ALA 40 -1.693 -9.309 -7.374 325 HB3 ALA 40 3HB ALA 40 -0.914 -10.796 -6.833 326 H LYS 41 H LYS 41 -2.072 -12.771 -7.012 327 HA LYS 41 HA LYS 41 -3.710 -12.859 -9.397 328 HB2 LYS 41 2HB LYS 41 -1.760 -14.928 -8.386 329 HB3 LYS 41 1HB LYS 41 -2.412 -14.795 -10.012 330 HG2 LYS 41 2HG LYS 41 -1.265 -12.346 -9.671 331 HG3 LYS 41 1HG LYS 41 -0.176 -13.393 -8.758 332 HD2 LYS 41 2HD LYS 41 -0.989 -14.456 -11.372 333 HD3 LYS 41 1HD LYS 41 -0.042 -12.970 -11.446 334 HE2 LYS 41 2HE LYS 41 1.377 -14.971 -11.534 335 HE3 LYS 41 1HE LYS 41 1.709 -13.986 -10.109 336 HZ1 LYS 41 3HZ LYS 41 0.637 -15.507 -8.723 337 HZ2 LYS 41 1HZ LYS 41 1.525 -16.480 -9.784 338 HZ3 LYS 41 2HZ LYS 41 -0.141 -16.291 -10.005 339 H GLU 42 H GLU 42 -3.723 -14.165 -6.193 340 HA GLU 42 HA GLU 42 -5.261 -16.482 -6.719 341 HB2 GLU 42 2HB GLU 42 -4.073 -15.202 -4.455 342 HB3 GLU 42 1HB GLU 42 -5.712 -15.659 -4.054 343 HG2 GLU 42 2HG GLU 42 -5.044 -17.944 -5.100 344 HG3 GLU 42 1HG GLU 42 -3.402 -17.375 -4.810 345 H LEU 43 H LEU 43 -6.393 -13.599 -4.872 346 HA LEU 43 HA LEU 43 -9.030 -14.101 -6.089 347 HB2 LEU 43 2HB LEU 43 -9.928 -12.973 -3.955 348 HB3 LEU 43 1HB LEU 43 -9.435 -14.651 -3.900 349 HG LEU 43 HG LEU 43 -8.759 -13.253 -1.929 350 HD11 LEU 43 1HD1 LEU 43 -7.436 -15.297 -3.236 351 HD12 LEU 43 2HD1 LEU 43 -7.174 -14.759 -1.579 352 HD13 LEU 43 3HD1 LEU 43 -6.174 -14.118 -2.883 353 HD21 LEU 43 3HD2 LEU 43 -6.538 -12.161 -3.584 354 HD22 LEU 43 1HD2 LEU 43 -7.200 -11.578 -2.059 355 HD23 LEU 43 2HD2 LEU 43 -8.088 -11.322 -3.561 356 H SER 44 H SER 44 -6.548 -11.816 -5.793 357 HA SER 44 HA SER 44 -8.041 -9.429 -5.730 358 HB2 SER 44 2HB SER 44 -5.355 -10.103 -5.862 359 HB3 SER 44 1HB SER 44 -5.638 -9.230 -7.358 360 HG SER 44 HG SER 44 -6.770 -8.079 -5.130 361 H ILE 45 H ILE 45 -9.088 -8.284 -7.210 362 HA ILE 45 HA ILE 45 -9.468 -9.481 -9.837 363 HB ILE 45 HB ILE 45 -11.408 -8.047 -10.048 364 HG12 ILE 45 2HG1 ILE 45 -10.819 -6.908 -7.324 365 HG13 ILE 45 1HG1 ILE 45 -10.261 -6.117 -8.788 366 HG21 ILE 45 1HG2 ILE 45 -12.415 -8.671 -7.621 367 HG22 ILE 45 2HG2 ILE 45 -11.013 -9.739 -7.673 368 HG23 ILE 45 3HG2 ILE 45 -12.238 -9.827 -8.942 369 HD11 ILE 45 3HD1 ILE 45 -13.078 -6.589 -7.887 370 HD12 ILE 45 1HD1 ILE 45 -12.670 -6.103 -9.534 371 HD13 ILE 45 2HD1 ILE 45 -12.257 -5.055 -8.176 372 H ASP 46 H ASP 46 -7.806 -6.896 -8.351 373 HA ASP 46 HA ASP 46 -7.799 -4.844 -10.137 374 HB2 ASP 46 2HB ASP 46 -6.542 -4.565 -8.167 375 HB3 ASP 46 1HB ASP 46 -5.586 -6.009 -8.465 376 H GLY 47 H GLY 47 -7.059 -4.422 -12.118 377 HA2 GLY 47 2HA GLY 47 -6.459 -6.507 -13.901 378 HA3 GLY 47 1HA GLY 47 -6.289 -4.793 -14.241 379 H GLY 48 H GLY 48 -4.526 -6.068 -15.500 380 HA2 GLY 48 2HA GLY 48 -2.314 -7.216 -15.080 381 HA3 GLY 48 1HA GLY 48 -2.191 -5.605 -15.752 382 H SER 49 H SER 49 -2.724 -4.091 -13.415 383 HA SER 49 HA SER 49 -0.218 -3.844 -12.302 384 HB2 SER 49 2HB SER 49 -2.533 -2.451 -12.077 385 HB3 SER 49 1HB SER 49 -2.448 -3.186 -10.477 386 HG SER 49 HG SER 49 -0.315 -2.310 -10.311 387 H ALA 50 H ALA 50 -2.615 -6.222 -11.577 388 HA ALA 50 HA ALA 50 -1.746 -6.872 -8.943 389 HB1 ALA 50 1HB ALA 50 -3.939 -7.514 -10.340 390 HB2 ALA 50 2HB ALA 50 -3.376 -8.444 -8.949 391 HB3 ALA 50 3HB ALA 50 -2.997 -8.987 -10.585 392 H LYS 51 H LYS 51 -0.552 -7.549 -12.090 393 HA LYS 51 HA LYS 51 0.801 -9.975 -11.558 394 HB2 LYS 51 2HB LYS 51 0.523 -8.134 -13.746 395 HB3 LYS 51 1HB LYS 51 2.204 -8.608 -13.571 396 HG2 LYS 51 2HG LYS 51 1.816 -10.713 -14.252 397 HG3 LYS 51 1HG LYS 51 0.269 -10.806 -13.406 398 HD2 LYS 51 2HD LYS 51 -0.266 -8.980 -15.364 399 HD3 LYS 51 1HD LYS 51 0.858 -10.070 -16.179 400 HE2 LYS 51 2HE LYS 51 -0.545 -11.902 -15.936 401 HE3 LYS 51 1HE LYS 51 -1.435 -11.169 -14.603 402 HZ1 LYS 51 3HZ LYS 51 -2.577 -9.754 -16.070 403 HZ2 LYS 51 1HZ LYS 51 -2.616 -11.276 -16.807 404 HZ3 LYS 51 2HZ LYS 51 -1.539 -10.096 -17.362 405 H ARG 52 H ARG 52 1.349 -6.997 -10.224 406 HA ARG 52 HA ARG 52 4.250 -7.384 -10.053 407 HB2 ARG 52 2HB ARG 52 4.494 -5.113 -9.606 408 HB3 ARG 52 1HB ARG 52 3.166 -5.141 -10.757 409 HG2 ARG 52 2HG ARG 52 1.605 -5.053 -8.776 410 HG3 ARG 52 1HG ARG 52 3.024 -4.726 -7.784 411 HD2 ARG 52 2HD ARG 52 1.571 -2.767 -8.770 412 HD3 ARG 52 1HD ARG 52 3.321 -2.633 -8.646 413 HE ARG 52 HE ARG 52 1.747 -2.862 -11.069 414 HH11 ARG 52 1HH1 ARG 52 4.923 -3.030 -9.625 415 HH12 ARG 52 2HH1 ARG 52 5.753 -2.762 -11.121 416 HH21 ARG 52 1HH2 ARG 52 2.839 -2.507 -13.034 417 HH22 ARG 52 2HH2 ARG 52 4.570 -2.462 -13.056 418 H ASP 53 H ASP 53 2.153 -8.906 -8.605 419 HA ASP 53 HA ASP 53 1.759 -9.796 -6.573 420 HB2 ASP 53 2HB ASP 53 3.568 -10.035 -5.067 421 HB3 ASP 53 1HB ASP 53 4.286 -9.990 -6.669 422 H GLY 54 H GLY 54 0.784 -7.125 -7.168 423 HA2 GLY 54 2HA GLY 54 -0.300 -5.393 -6.125 424 HA3 GLY 54 1HA GLY 54 -0.462 -6.507 -4.777 425 H SER 55 H SER 55 2.713 -5.614 -5.832 426 HA SER 55 HA SER 55 3.268 -4.442 -3.264 427 HB2 SER 55 2HB SER 55 4.817 -5.430 -5.536 428 HB3 SER 55 1HB SER 55 5.491 -3.959 -4.836 429 HG SER 55 HG SER 55 6.339 -5.410 -3.529 430 H LEU 56 H LEU 56 2.029 -2.574 -3.169 431 HA LEU 56 HA LEU 56 1.868 -0.588 -5.124 432 HB2 LEU 56 2HB LEU 56 1.726 -0.251 -2.128 433 HB3 LEU 56 1HB LEU 56 1.148 0.897 -3.305 434 HG LEU 56 HG LEU 56 0.047 -1.879 -2.887 435 HD11 LEU 56 1HD1 LEU 56 -1.963 -0.084 -2.410 436 HD12 LEU 56 2HD1 LEU 56 -0.561 0.715 -1.700 437 HD13 LEU 56 3HD1 LEU 56 -1.009 -0.909 -1.176 438 HD21 LEU 56 3HD2 LEU 56 -0.340 0.156 -4.985 439 HD22 LEU 56 1HD2 LEU 56 -1.808 -0.580 -4.341 440 HD23 LEU 56 2HD2 LEU 56 -0.547 -1.593 -5.044 441 H GLY 57 H GLY 57 4.338 -1.303 -2.780 442 HA2 GLY 57 2HA GLY 57 6.438 -0.434 -2.465 443 HA3 GLY 57 1HA GLY 57 6.298 0.231 -4.083 444 H TYR 58 H TYR 58 7.583 1.989 -3.041 445 HA TYR 58 HA TYR 58 6.449 3.622 -1.040 446 HB2 TYR 58 2HB TYR 58 8.195 5.028 -2.939 447 HB3 TYR 58 1HB TYR 58 8.312 4.895 -1.193 448 HD1 TYR 58 1HD TYR 58 9.272 3.398 -4.400 449 HD2 TYR 58 2HD TYR 58 9.620 3.123 -0.169 450 HE1 TYR 58 1HE TYR 58 11.147 1.830 -4.663 451 HE2 TYR 58 2HE TYR 58 11.499 1.555 -0.422 452 HH TYR 58 HH TYR 58 12.147 -0.172 -2.801 453 H PHE 59 H PHE 59 4.741 4.840 -1.138 454 HA PHE 59 HA PHE 59 4.159 6.304 -3.615 455 HB2 PHE 59 2HB PHE 59 2.280 4.680 -1.944 456 HB3 PHE 59 1HB PHE 59 1.683 6.099 -2.785 457 HD1 PHE 59 1HD PHE 59 3.215 5.976 -5.294 458 HD2 PHE 59 2HD PHE 59 1.308 2.891 -3.066 459 HE1 PHE 59 1HE PHE 59 2.949 4.659 -7.354 460 HE2 PHE 59 2HE PHE 59 1.037 1.569 -5.125 461 HZ PHE 59 HZ PHE 59 1.857 2.454 -7.272 462 H GLY 60 H GLY 60 2.936 8.289 -3.225 463 HA2 GLY 60 2HA GLY 60 3.306 9.279 -0.468 464 HA3 GLY 60 1HA GLY 60 3.809 10.239 -1.849 465 H ARG 61 H ARG 61 2.271 11.715 -0.549 466 HA ARG 61 HA ARG 61 -0.528 11.223 -0.773 467 HB2 ARG 61 2HB ARG 61 0.840 13.859 -0.225 468 HB3 ARG 61 1HB ARG 61 -0.818 13.421 0.161 469 HG2 ARG 61 2HG ARG 61 -0.078 12.905 2.189 470 HG3 ARG 61 1HG ARG 61 0.677 11.491 1.451 471 HD2 ARG 61 2HD ARG 61 2.738 12.325 1.710 472 HD3 ARG 61 1HD ARG 61 2.253 13.926 1.152 473 HE ARG 61 HE ARG 61 1.990 14.573 3.334 474 HH11 ARG 61 1HH1 ARG 61 2.231 11.094 3.201 475 HH12 ARG 61 2HH1 ARG 61 2.335 10.911 4.920 476 HH21 ARG 61 1HH2 ARG 61 2.125 14.334 5.596 477 HH22 ARG 61 2HH2 ARG 61 2.275 12.749 6.279 478 H GLY 62 H GLY 62 -0.758 10.808 -2.997 479 HA2 GLY 62 2HA GLY 62 -1.879 12.555 -4.592 480 HA3 GLY 62 1HA GLY 62 -0.209 13.023 -4.817 481 H LYS 63 H LYS 63 -1.413 9.723 -4.392 482 HA LYS 63 HA LYS 63 -0.859 9.187 -7.221 483 HB2 LYS 63 2HB LYS 63 0.745 8.318 -5.000 484 HB3 LYS 63 1HB LYS 63 0.025 6.919 -5.785 485 HG2 LYS 63 2HG LYS 63 2.214 7.430 -6.709 486 HG3 LYS 63 1HG LYS 63 0.949 7.625 -7.922 487 HD2 LYS 63 2HD LYS 63 1.190 9.897 -8.008 488 HD3 LYS 63 1HD LYS 63 1.728 10.011 -6.331 489 HE2 LYS 63 2HE LYS 63 3.519 8.551 -8.161 490 HE3 LYS 63 1HE LYS 63 3.359 10.280 -8.465 491 HZ1 LYS 63 3HZ LYS 63 4.565 8.897 -6.203 492 HZ2 LYS 63 1HZ LYS 63 3.713 10.315 -5.848 493 HZ3 LYS 63 2HZ LYS 63 5.005 10.354 -6.939 494 H MET 64 H MET 64 -2.101 7.804 -4.180 495 HA MET 64 HA MET 64 -3.942 6.135 -5.735 496 HB2 MET 64 2HB MET 64 -3.647 6.025 -2.749 497 HB3 MET 64 1HB MET 64 -4.177 4.762 -3.851 498 HG2 MET 64 2HG MET 64 -2.105 3.978 -3.482 499 HG3 MET 64 1HG MET 64 -1.688 5.115 -4.762 500 HE1 MET 64 3HE MET 64 0.058 4.029 -1.533 501 HE2 MET 64 1HE MET 64 -1.686 4.063 -1.276 502 HE3 MET 64 2HE MET 64 -0.640 5.168 -0.381 503 H VAL 65 H VAL 65 -6.155 5.834 -4.690 504 HA VAL 65 HA VAL 65 -7.563 8.250 -4.790 505 HB VAL 65 HB VAL 65 -9.505 6.973 -3.973 506 HG11 VAL 65 1HG1 VAL 65 -9.455 6.629 -6.205 507 HG12 VAL 65 2HG1 VAL 65 -9.084 4.974 -5.719 508 HG13 VAL 65 3HG1 VAL 65 -7.784 6.068 -6.190 509 HG21 VAL 65 3HG2 VAL 65 -8.059 4.419 -3.888 510 HG22 VAL 65 1HG2 VAL 65 -9.376 5.013 -2.876 511 HG23 VAL 65 2HG2 VAL 65 -7.718 5.516 -2.553 512 H LYS 66 H LYS 66 -9.001 9.091 -3.036 513 HA LYS 66 HA LYS 66 -7.460 9.966 -0.865 514 HB2 LYS 66 2HB LYS 66 -9.565 11.004 -1.977 515 HB3 LYS 66 1HB LYS 66 -10.456 10.027 -0.818 516 HG2 LYS 66 2HG LYS 66 -9.611 11.200 1.006 517 HG3 LYS 66 1HG LYS 66 -8.270 11.869 0.073 518 HD2 LYS 66 2HD LYS 66 -9.922 13.589 0.486 519 HD3 LYS 66 1HD LYS 66 -9.885 13.200 -1.234 520 HE2 LYS 66 2HE LYS 66 -11.777 11.478 -0.412 521 HE3 LYS 66 1HE LYS 66 -12.009 12.765 0.770 522 HZ1 LYS 66 3HZ LYS 66 -11.855 14.179 -1.476 523 HZ2 LYS 66 1HZ LYS 66 -13.312 13.600 -0.841 524 HZ3 LYS 66 2HZ LYS 66 -12.536 12.754 -2.084 525 HA PRO 67 HA PRO 67 -10.115 6.994 1.902 526 HB2 PRO 67 2HB PRO 67 -10.960 4.726 0.575 527 HB3 PRO 67 1HB PRO 67 -11.984 6.094 0.969 528 HG2 PRO 67 2HG PRO 67 -10.752 5.320 -1.601 529 HG3 PRO 67 1HG PRO 67 -12.247 6.214 -1.296 530 HD2 PRO 67 2HD PRO 67 -9.899 7.348 -2.153 531 HD3 PRO 67 1HD PRO 67 -11.170 8.222 -1.293 532 H PHE 68 H PHE 68 -8.414 5.555 -0.823 533 HA PHE 68 HA PHE 68 -7.210 3.470 0.729 534 HB2 PHE 68 2HB PHE 68 -7.679 3.463 -1.790 535 HB3 PHE 68 1HB PHE 68 -6.231 4.453 -1.946 536 HD1 PHE 68 1HD PHE 68 -4.035 3.529 -1.428 537 HD2 PHE 68 2HD PHE 68 -7.546 1.132 -1.289 538 HE1 PHE 68 1HE PHE 68 -2.646 1.502 -1.462 539 HE2 PHE 68 2HE PHE 68 -6.163 -0.904 -1.323 540 HZ PHE 68 HZ PHE 68 -3.710 -0.720 -1.411 541 H GLU 69 H GLU 69 -5.945 6.443 -0.788 542 HA GLU 69 HA GLU 69 -3.330 6.246 0.163 543 HB2 GLU 69 2HB GLU 69 -4.327 7.876 -1.558 544 HB3 GLU 69 1HB GLU 69 -4.762 8.870 -0.174 545 HG2 GLU 69 2HG GLU 69 -1.983 8.004 -0.142 546 HG3 GLU 69 1HG GLU 69 -2.401 8.973 -1.554 547 H ASP 70 H ASP 70 -6.243 7.404 1.708 548 HA ASP 70 HA ASP 70 -5.058 8.744 3.879 549 HB2 ASP 70 2HB ASP 70 -7.742 7.684 3.226 550 HB3 ASP 70 1HB ASP 70 -7.396 7.892 4.940 551 H ALA 71 H ALA 71 -6.298 5.416 3.611 552 HA ALA 71 HA ALA 71 -5.409 4.693 6.234 553 HB1 ALA 71 1HB ALA 71 -7.232 3.451 5.575 554 HB2 ALA 71 2HB ALA 71 -5.908 2.326 5.276 555 HB3 ALA 71 3HB ALA 71 -6.621 3.225 3.937 556 H ALA 72 H ALA 72 -3.772 5.098 3.326 557 HA ALA 72 HA ALA 72 -1.943 2.950 3.394 558 HB1 ALA 72 1HB ALA 72 -2.434 4.609 1.497 559 HB2 ALA 72 2HB ALA 72 -0.772 4.060 1.716 560 HB3 ALA 72 3HB ALA 72 -1.258 5.653 2.297 561 H PHE 73 H PHE 73 -1.714 6.266 4.652 562 HA PHE 73 HA PHE 73 0.805 5.609 5.973 563 HB2 PHE 73 2HB PHE 73 0.719 8.074 6.615 564 HB3 PHE 73 1HB PHE 73 0.878 7.715 4.898 565 HD1 PHE 73 1HD PHE 73 -1.623 8.569 7.503 566 HD2 PHE 73 2HD PHE 73 -0.629 8.595 3.367 567 HE1 PHE 73 1HE PHE 73 -3.616 9.936 7.038 568 HE2 PHE 73 2HE PHE 73 -2.620 9.960 2.893 569 HZ PHE 73 HZ PHE 73 -4.117 10.630 4.730 570 H ARG 74 H ARG 74 -2.046 4.715 6.792 571 HA ARG 74 HA ARG 74 -2.126 5.847 9.490 572 HB2 ARG 74 2HB ARG 74 -4.170 5.515 7.867 573 HB3 ARG 74 1HB ARG 74 -4.125 3.865 8.473 574 HG2 ARG 74 2HG ARG 74 -5.030 4.439 10.425 575 HG3 ARG 74 1HG ARG 74 -3.991 5.856 10.592 576 HD2 ARG 74 2HD ARG 74 -5.487 7.245 9.575 577 HD3 ARG 74 1HD ARG 74 -6.157 5.964 8.566 578 HE ARG 74 HE ARG 74 -6.776 5.568 11.316 579 HH11 ARG 74 1HH1 ARG 74 -7.690 7.400 8.490 580 HH12 ARG 74 2HH1 ARG 74 -9.321 7.638 9.018 581 HH21 ARG 74 1HH2 ARG 74 -8.922 5.880 12.012 582 HH22 ARG 74 2HH2 ARG 74 -10.021 6.776 11.018 583 H LEU 75 H LEU 75 -1.491 2.887 7.758 584 HA LEU 75 HA LEU 75 -1.162 1.450 10.293 585 HB2 LEU 75 2HB LEU 75 -1.464 0.507 7.459 586 HB3 LEU 75 1HB LEU 75 -0.973 -0.567 8.746 587 HG LEU 75 HG LEU 75 -3.637 0.600 8.170 588 HD11 LEU 75 1HD1 LEU 75 -2.458 -1.999 9.034 589 HD12 LEU 75 2HD1 LEU 75 -3.468 -1.632 7.633 590 HD13 LEU 75 3HD1 LEU 75 -4.179 -1.681 9.247 591 HD21 LEU 75 3HD2 LEU 75 -2.759 -0.092 10.974 592 HD22 LEU 75 1HD2 LEU 75 -4.396 0.316 10.459 593 HD23 LEU 75 2HD2 LEU 75 -3.124 1.534 10.393 594 H GLN 76 H GLN 76 0.796 2.877 10.491 595 HA GLN 76 HA GLN 76 3.084 2.297 8.878 596 HB2 GLN 76 2HB GLN 76 2.614 3.781 11.442 597 HB3 GLN 76 1HB GLN 76 4.254 3.407 10.934 598 HG2 GLN 76 2HG GLN 76 3.344 4.472 8.662 599 HG3 GLN 76 1HG GLN 76 2.301 5.314 9.806 600 HE21 GLN 76 1HE2 GLN 76 3.226 6.695 11.338 601 HE22 GLN 76 2HE2 GLN 76 4.826 7.321 11.150 602 H VAL 77 H VAL 77 1.523 0.794 11.507 603 HA VAL 77 HA VAL 77 3.695 -0.538 12.729 604 HB VAL 77 HB VAL 77 1.663 -0.447 13.952 605 HG11 VAL 77 1HG1 VAL 77 0.457 -1.318 11.400 606 HG12 VAL 77 2HG1 VAL 77 -0.129 -0.166 12.599 607 HG13 VAL 77 3HG1 VAL 77 -0.311 -1.897 12.879 608 HG21 VAL 77 3HG2 VAL 77 1.301 -3.272 13.269 609 HG22 VAL 77 1HG2 VAL 77 1.743 -2.520 14.804 610 HG23 VAL 77 2HG2 VAL 77 2.977 -2.815 13.580 611 H GLY 78 H GLY 78 1.864 -1.122 9.835 612 HA2 GLY 78 2HA GLY 78 2.639 -2.508 8.077 613 HA3 GLY 78 1HA GLY 78 3.592 -3.398 9.245 614 H GLU 79 H GLU 79 0.184 -2.590 8.805 615 HA GLU 79 HA GLU 79 -0.447 -5.451 8.974 616 HB2 GLU 79 2HB GLU 79 -0.612 -4.076 11.176 617 HB3 GLU 79 1HB GLU 79 -2.081 -3.451 10.471 618 HG2 GLU 79 2HG GLU 79 -2.012 -6.308 10.267 619 HG3 GLU 79 1HG GLU 79 -1.731 -5.805 11.932 620 H VAL 80 H VAL 80 -2.952 -5.682 8.635 621 HA VAL 80 HA VAL 80 -3.500 -4.372 6.138 622 HB VAL 80 HB VAL 80 -5.307 -6.268 7.642 623 HG11 VAL 80 1HG1 VAL 80 -5.804 -6.618 4.993 624 HG12 VAL 80 2HG1 VAL 80 -5.444 -4.893 5.053 625 HG13 VAL 80 3HG1 VAL 80 -6.732 -5.561 6.055 626 HG21 VAL 80 3HG2 VAL 80 -4.393 -8.062 6.344 627 HG22 VAL 80 1HG2 VAL 80 -3.059 -7.236 7.150 628 HG23 VAL 80 2HG2 VAL 80 -3.367 -6.952 5.435 629 H SER 81 H SER 81 -5.244 -2.979 5.712 630 HA SER 81 HA SER 81 -6.228 -1.597 8.106 631 HB2 SER 81 2HB SER 81 -5.072 -0.069 6.725 632 HB3 SER 81 1HB SER 81 -5.818 -0.701 5.258 633 HG SER 81 HG SER 81 -7.090 0.771 7.326 634 H GLU 82 H GLU 82 -8.385 -0.613 7.956 635 HA GLU 82 HA GLU 82 -10.375 -2.478 7.758 636 HB2 GLU 82 2HB GLU 82 -10.606 0.518 7.477 637 HB3 GLU 82 1HB GLU 82 -11.962 -0.564 7.761 638 HG2 GLU 82 2HG GLU 82 -11.607 -0.136 9.916 639 HG3 GLU 82 1HG GLU 82 -10.263 -1.269 9.768 640 HA PRO 83 HA PRO 83 -11.517 -3.146 3.587 641 HB2 PRO 83 2HB PRO 83 -14.271 -3.074 3.826 642 HB3 PRO 83 1HB PRO 83 -13.266 -4.482 4.180 643 HG2 PRO 83 2HG PRO 83 -14.429 -2.461 6.048 644 HG3 PRO 83 1HG PRO 83 -14.259 -4.215 6.253 645 HD2 PRO 83 2HD PRO 83 -12.591 -2.491 7.458 646 HD3 PRO 83 1HD PRO 83 -12.022 -4.054 6.840 647 H VAL 84 H VAL 84 -10.966 -1.419 2.379 648 HA VAL 84 HA VAL 84 -12.642 0.990 2.491 649 HB VAL 84 HB VAL 84 -9.973 0.521 1.145 650 HG11 VAL 84 1HG1 VAL 84 -9.963 2.926 0.704 651 HG12 VAL 84 2HG1 VAL 84 -11.593 3.059 1.368 652 HG13 VAL 84 3HG1 VAL 84 -11.310 2.128 -0.106 653 HG21 VAL 84 3HG2 VAL 84 -10.787 1.832 3.709 654 HG22 VAL 84 1HG2 VAL 84 -9.315 2.323 2.869 655 HG23 VAL 84 2HG2 VAL 84 -9.507 0.656 3.413 656 H LYS 85 H LYS 85 -14.403 0.630 1.247 657 HA LYS 85 HA LYS 85 -14.108 -0.622 -1.366 658 HB2 LYS 85 2HB LYS 85 -15.985 -1.385 -0.082 659 HB3 LYS 85 1HB LYS 85 -16.514 0.260 0.230 660 HG2 LYS 85 2HG LYS 85 -17.869 -0.968 -1.459 661 HG3 LYS 85 1HG LYS 85 -17.197 0.559 -2.030 662 HD2 LYS 85 2HD LYS 85 -15.611 -0.502 -3.372 663 HD3 LYS 85 1HD LYS 85 -15.753 -2.027 -2.496 664 HE2 LYS 85 2HE LYS 85 -18.237 -1.107 -3.757 665 HE3 LYS 85 1HE LYS 85 -16.938 -1.485 -4.888 666 HZ1 LYS 85 3HZ LYS 85 -18.258 -3.268 -2.942 667 HZ2 LYS 85 1HZ LYS 85 -16.728 -3.639 -3.562 668 HZ3 LYS 85 2HZ LYS 85 -18.051 -3.487 -4.605 669 H SER 86 H SER 86 -13.529 0.624 -3.006 670 HA SER 86 HA SER 86 -14.560 3.384 -3.107 671 HB2 SER 86 2HB SER 86 -12.055 2.307 -4.424 672 HB3 SER 86 1HB SER 86 -12.590 3.986 -4.400 673 HG SER 86 HG SER 86 -11.164 2.633 -2.564 674 H GLU 87 H GLU 87 -14.117 4.046 -5.682 675 HA GLU 87 HA GLU 87 -16.281 2.897 -7.038 676 HB2 GLU 87 2HB GLU 87 -15.391 4.106 -9.033 677 HB3 GLU 87 1HB GLU 87 -15.556 5.114 -7.602 678 HG2 GLU 87 2HG GLU 87 -12.975 4.175 -7.415 679 HG3 GLU 87 1HG GLU 87 -13.192 4.436 -9.145 680 H PHE 88 H PHE 88 -13.052 1.809 -6.700 681 HA PHE 88 HA PHE 88 -13.138 0.161 -9.094 682 HB2 PHE 88 2HB PHE 88 -11.072 1.061 -7.205 683 HB3 PHE 88 1HB PHE 88 -10.872 -0.598 -7.761 684 HD1 PHE 88 1HD PHE 88 -10.705 -1.049 -10.212 685 HD2 PHE 88 2HD PHE 88 -10.581 2.887 -8.599 686 HE1 PHE 88 1HE PHE 88 -9.707 -0.226 -12.306 687 HE2 PHE 88 2HE PHE 88 -9.585 3.717 -10.689 688 HZ PHE 88 HZ PHE 88 -9.147 2.160 -12.546 689 H GLY 89 H GLY 89 -13.716 -0.122 -5.683 690 HA2 GLY 89 2HA GLY 89 -15.180 -2.267 -5.424 691 HA3 GLY 89 1HA GLY 89 -13.674 -3.055 -5.857 692 H TYR 90 H TYR 90 -13.950 -4.132 -3.798 693 HA TYR 90 HA TYR 90 -13.635 -2.568 -1.393 694 HB2 TYR 90 2HB TYR 90 -14.507 -5.199 -2.097 695 HB3 TYR 90 1HB TYR 90 -13.203 -5.343 -0.936 696 HD1 TYR 90 1HD TYR 90 -16.433 -3.589 -1.502 697 HD2 TYR 90 2HD TYR 90 -13.662 -5.100 1.350 698 HE1 TYR 90 1HE TYR 90 -18.027 -3.090 0.303 699 HE2 TYR 90 2HE TYR 90 -15.251 -4.610 3.161 700 HH TYR 90 HH TYR 90 -17.211 -2.956 3.492 701 H HIS 91 H HIS 91 -11.683 -1.592 -1.390 702 HA HIS 91 HA HIS 91 -9.293 -2.955 -2.213 703 HB2 HIS 91 2HB HIS 91 -9.745 -0.235 -0.984 704 HB3 HIS 91 1HB HIS 91 -8.184 -0.822 -1.540 705 HD1 HIS 91 1HD HIS 91 -11.629 -0.765 -3.174 706 HD2 HIS 91 2HD HIS 91 -7.692 0.328 -3.926 707 HE1 HIS 91 1HE HIS 91 -11.625 0.168 -5.509 708 HE2 HIS 91 2HE HIS 91 -9.252 0.916 -5.903 709 H VAL 92 H VAL 92 -7.442 -3.264 -0.956 710 HA VAL 92 HA VAL 92 -7.752 -3.353 1.952 711 HB VAL 92 HB VAL 92 -6.676 -5.690 0.359 712 HG11 VAL 92 1HG1 VAL 92 -5.638 -5.536 2.512 713 HG12 VAL 92 2HG1 VAL 92 -6.819 -6.845 2.563 714 HG13 VAL 92 3HG1 VAL 92 -7.196 -5.289 3.300 715 HG21 VAL 92 3HG2 VAL 92 -8.867 -6.064 -0.050 716 HG22 VAL 92 1HG2 VAL 92 -9.401 -5.041 1.284 717 HG23 VAL 92 2HG2 VAL 92 -8.849 -6.685 1.602 718 H ILE 93 H ILE 93 -5.883 -2.773 3.011 719 HA ILE 93 HA ILE 93 -3.482 -2.461 1.327 720 HB ILE 93 HB ILE 93 -3.582 -0.610 3.573 721 HG12 ILE 93 2HG1 ILE 93 -5.717 -0.412 1.438 722 HG13 ILE 93 1HG1 ILE 93 -5.972 -0.580 3.171 723 HG21 ILE 93 1HG2 ILE 93 -2.315 0.597 2.194 724 HG22 ILE 93 2HG2 ILE 93 -3.491 0.495 0.885 725 HG23 ILE 93 3HG2 ILE 93 -2.329 -0.809 1.132 726 HD11 ILE 93 3HD1 ILE 93 -6.383 1.688 2.517 727 HD12 ILE 93 1HD1 ILE 93 -4.802 1.793 1.741 728 HD13 ILE 93 2HD1 ILE 93 -4.915 1.629 3.493 729 H LYS 94 H LYS 94 -1.775 -3.530 1.977 730 HA LYS 94 HA LYS 94 -1.375 -4.034 4.849 731 HB2 LYS 94 2HB LYS 94 -2.096 -6.045 3.245 732 HB3 LYS 94 1HB LYS 94 -0.377 -6.042 2.884 733 HG2 LYS 94 2HG LYS 94 -1.531 -6.249 5.654 734 HG3 LYS 94 1HG LYS 94 -1.019 -7.624 4.671 735 HD2 LYS 94 2HD LYS 94 1.244 -6.438 4.524 736 HD3 LYS 94 1HD LYS 94 0.659 -5.428 5.847 737 HE2 LYS 94 2HE LYS 94 1.563 -7.024 7.148 738 HE3 LYS 94 1HE LYS 94 0.070 -7.893 6.795 739 HZ1 LYS 94 3HZ LYS 94 2.770 -8.434 5.927 740 HZ2 LYS 94 1HZ LYS 94 1.614 -8.549 4.695 741 HZ3 LYS 94 2HZ LYS 94 1.456 -9.486 6.094 742 H ARG 95 H ARG 95 0.342 -2.882 5.419 743 HA ARG 95 HA ARG 95 2.151 -1.695 3.700 744 HB2 ARG 95 2HB ARG 95 1.663 -1.675 6.441 745 HB3 ARG 95 1HB ARG 95 3.337 -2.190 6.292 746 HG2 ARG 95 2HG ARG 95 3.385 -0.135 4.592 747 HG3 ARG 95 1HG ARG 95 2.087 0.408 5.657 748 HD2 ARG 95 2HD ARG 95 3.586 0.031 7.596 749 HD3 ARG 95 1HD ARG 95 4.882 -0.380 6.473 750 HE ARG 95 HE ARG 95 3.782 2.164 5.869 751 HH11 ARG 95 1HH1 ARG 95 5.896 0.535 8.115 752 HH12 ARG 95 2HH1 ARG 95 6.816 1.958 8.476 753 HH21 ARG 95 1HH2 ARG 95 4.990 4.036 6.339 754 HH22 ARG 95 2HH2 ARG 95 6.300 3.947 7.466 755 H LEU 96 H LEU 96 4.040 -2.148 2.862 756 HA LEU 96 HA LEU 96 5.660 -4.340 3.686 757 HB2 LEU 96 2HB LEU 96 5.245 -5.802 2.042 758 HB3 LEU 96 1HB LEU 96 3.705 -4.989 1.931 759 HG LEU 96 HG LEU 96 4.860 -3.500 0.158 760 HD11 LEU 96 1HD1 LEU 96 7.091 -3.943 0.140 761 HD12 LEU 96 2HD1 LEU 96 6.569 -5.135 -1.054 762 HD13 LEU 96 3HD1 LEU 96 6.873 -5.628 0.613 763 HD21 LEU 96 3HD2 LEU 96 4.659 -6.125 -1.063 764 HD22 LEU 96 1HD2 LEU 96 3.677 -4.680 -1.306 765 HD23 LEU 96 2HD2 LEU 96 3.319 -5.777 0.030 766 H GLY 97 H GLY 97 7.597 -3.465 3.646 767 HA2 GLY 97 2HA GLY 97 8.582 -2.131 1.280 768 HA3 GLY 97 1HA GLY 97 8.444 -1.102 2.692
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