NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567954 | 2mc8 | 19431 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 9.259 16.175 -3.564 2 H2 GLY 1 2HT GLY 1 10.074 16.820 -4.889 3 H3 GLY 1 3HT GLY 1 9.591 17.831 -3.626 4 HA2 GLY 1 1HA GLY 1 11.946 17.423 -3.464 5 HA3 GLY 1 2HA GLY 1 11.092 16.690 -2.111 6 H GLU 2 H GLU 2 13.187 15.443 -2.049 7 HA GLU 2 HA GLU 2 13.865 13.495 -4.010 8 HB2 GLU 2 2HB GLU 2 15.479 14.260 -2.280 9 HB3 GLU 2 1HB GLU 2 14.481 13.555 -1.024 10 HG2 GLU 2 2HG GLU 2 16.389 12.109 -1.421 11 HG3 GLU 2 1HG GLU 2 14.917 11.290 -1.946 12 H ILE 3 H ILE 3 13.215 11.382 -4.233 13 HA ILE 3 HA ILE 3 11.157 10.324 -2.377 14 HB ILE 3 HB ILE 3 11.713 9.347 -5.233 15 HG12 ILE 3 2HG1 ILE 3 11.009 11.733 -5.346 16 HG13 ILE 3 1HG1 ILE 3 9.792 10.683 -6.042 17 HG21 ILE 3 1HG2 ILE 3 10.559 7.716 -3.791 18 HG22 ILE 3 2HG2 ILE 3 9.487 8.272 -5.082 19 HG23 ILE 3 3HG2 ILE 3 9.299 8.901 -3.442 20 HD11 ILE 3 3HD1 ILE 3 8.767 12.444 -4.781 21 HD12 ILE 3 1HD1 ILE 3 9.697 12.023 -3.344 22 HD13 ILE 3 2HD1 ILE 3 8.466 10.913 -3.961 23 H LEU 4 H LEU 4 12.407 9.307 -0.884 24 HA LEU 4 HA LEU 4 14.949 8.196 -1.428 25 HB2 LEU 4 2HB LEU 4 13.373 7.829 1.135 26 HB3 LEU 4 1HB LEU 4 15.107 7.659 0.921 27 HG LEU 4 HG LEU 4 14.932 10.205 0.216 28 HD11 LEU 4 1HD1 LEU 4 13.281 11.486 1.378 29 HD12 LEU 4 2HD1 LEU 4 12.508 9.984 1.906 30 HD13 LEU 4 3HD1 LEU 4 12.604 10.376 0.186 31 HD21 LEU 4 3HD2 LEU 4 14.779 9.376 3.111 32 HD22 LEU 4 1HD2 LEU 4 15.403 10.914 2.511 33 HD23 LEU 4 2HD2 LEU 4 16.246 9.416 2.130 34 H LYS 5 H LYS 5 15.602 6.070 -0.785 35 HA LYS 5 HA LYS 5 13.793 3.895 -1.645 36 HB2 LYS 5 2HB LYS 5 15.904 2.627 -1.909 37 HB3 LYS 5 1HB LYS 5 15.944 4.151 -2.802 38 HG2 LYS 5 2HG LYS 5 17.207 5.197 -0.918 39 HG3 LYS 5 1HG LYS 5 17.204 3.638 -0.097 40 HD2 LYS 5 2HD LYS 5 18.441 4.134 -2.807 41 HD3 LYS 5 1HD LYS 5 19.332 4.230 -1.290 42 HE2 LYS 5 2HE LYS 5 18.750 1.837 -0.837 43 HE3 LYS 5 1HE LYS 5 17.969 1.756 -2.421 44 HZ1 LYS 5 3HZ LYS 5 20.062 2.218 -3.466 45 HZ2 LYS 5 1HZ LYS 5 20.244 0.898 -2.428 46 HZ3 LYS 5 2HZ LYS 5 20.829 2.417 -1.975 47 H GLU 6 H GLU 6 13.659 5.166 1.049 48 HA GLU 6 HA GLU 6 13.884 3.040 2.910 49 HB2 GLU 6 2HB GLU 6 15.847 3.721 4.207 50 HB3 GLU 6 1HB GLU 6 16.341 3.413 2.542 51 HG2 GLU 6 2HG GLU 6 16.274 5.866 2.103 52 HG3 GLU 6 1HG GLU 6 15.866 6.148 3.797 53 H LEU 7 H LEU 7 13.590 3.832 5.170 54 HA LEU 7 HA LEU 7 11.834 6.141 5.334 55 HB2 LEU 7 2HB LEU 7 12.820 4.248 7.514 56 HB3 LEU 7 1HB LEU 7 11.604 5.500 7.742 57 HG LEU 7 HG LEU 7 11.352 2.951 6.113 58 HD11 LEU 7 1HD1 LEU 7 9.844 3.892 8.561 59 HD12 LEU 7 2HD1 LEU 7 11.103 2.649 8.511 60 HD13 LEU 7 3HD1 LEU 7 9.579 2.385 7.670 61 HD21 LEU 7 3HD2 LEU 7 9.308 5.190 6.349 62 HD22 LEU 7 1HD2 LEU 7 9.058 3.620 5.570 63 HD23 LEU 7 2HD2 LEU 7 10.220 4.757 4.897 64 HA PRO 8 HA PRO 8 15.259 8.720 7.060 65 HB2 PRO 8 2HB PRO 8 14.070 11.124 6.545 66 HB3 PRO 8 1HB PRO 8 14.934 10.231 5.274 67 HG2 PRO 8 2HG PRO 8 11.973 10.368 5.792 68 HG3 PRO 8 1HG PRO 8 12.849 10.485 4.247 69 HD2 PRO 8 2HD PRO 8 11.676 8.152 5.100 70 HD3 PRO 8 1HD PRO 8 13.101 8.183 4.059 71 H GLU 9 H GLU 9 14.383 10.985 8.461 72 HA GLU 9 HA GLU 9 13.316 9.850 10.850 73 HB2 GLU 9 2HB GLU 9 13.777 12.779 10.168 74 HB3 GLU 9 1HB GLU 9 13.531 12.118 11.788 75 HG2 GLU 9 2HG GLU 9 15.611 10.798 11.536 76 HG3 GLU 9 1HG GLU 9 15.859 11.514 9.947 77 H GLY 10 H GLY 10 11.371 10.223 11.865 78 HA2 GLY 10 2HA GLY 10 9.279 11.306 12.168 79 HA3 GLY 10 1HA GLY 10 9.282 11.737 10.470 80 H PHE 11 H PHE 11 10.222 8.494 10.844 81 HA PHE 11 HA PHE 11 7.465 7.421 10.579 82 HB2 PHE 11 2HB PHE 11 9.758 6.508 8.798 83 HB3 PHE 11 1HB PHE 11 8.080 6.088 8.639 84 HD1 PHE 11 2HD PHE 11 6.420 8.100 8.137 85 HD2 PHE 11 1HD PHE 11 10.626 8.227 7.533 86 HE1 PHE 11 2HE PHE 11 6.144 10.015 6.659 87 HE2 PHE 11 1HE PHE 11 10.343 10.167 6.058 88 HZ PHE 11 HZ PHE 11 8.108 11.044 5.623 89 H ASP 12 H ASP 12 7.746 4.837 10.500 90 HA ASP 12 HA ASP 12 9.815 3.846 12.348 91 HB2 ASP 12 2HB ASP 12 7.847 4.599 13.756 92 HB3 ASP 12 1HB ASP 12 6.834 3.471 12.899 93 H LYS 13 H LYS 13 10.439 1.792 11.730 94 HA LYS 13 HA LYS 13 9.617 0.698 9.309 95 HB2 LYS 13 2HB LYS 13 11.188 -0.535 11.599 96 HB3 LYS 13 1HB LYS 13 11.050 -1.215 9.995 97 HG2 LYS 13 2HG LYS 13 12.117 0.885 9.075 98 HG3 LYS 13 1HG LYS 13 12.388 1.399 10.741 99 HD2 LYS 13 2HD LYS 13 14.444 0.414 9.920 100 HD3 LYS 13 1HD LYS 13 13.750 -0.701 11.099 101 HE2 LYS 13 2HE LYS 13 12.868 -2.099 9.271 102 HE3 LYS 13 1HE LYS 13 13.490 -0.946 8.082 103 HZ1 LYS 13 3HZ LYS 13 15.167 -2.490 9.994 104 HZ2 LYS 13 1HZ LYS 13 15.720 -1.459 8.777 105 HZ3 LYS 13 2HZ LYS 13 14.928 -2.891 8.368 106 H GLU 14 H GLU 14 8.704 -0.102 12.633 107 HA GLU 14 HA GLU 14 7.317 -2.547 12.012 108 HB2 GLU 14 2HB GLU 14 7.048 -0.750 14.459 109 HB3 GLU 14 1HB GLU 14 6.443 -2.400 14.336 110 HG2 GLU 14 2HG GLU 14 9.350 -1.534 14.277 111 HG3 GLU 14 1HG GLU 14 8.520 -2.288 15.636 112 H THR 15 H THR 15 6.361 0.791 12.625 113 HA THR 15 HA THR 15 3.552 0.430 12.531 114 HB THR 15 HB THR 15 5.225 2.972 12.178 115 HG1 THR 15 1HG THR 15 5.462 1.667 14.176 116 HG21 THR 15 3HG2 THR 15 3.198 4.163 12.984 117 HG22 THR 15 1HG2 THR 15 2.299 2.648 12.984 118 HG23 THR 15 2HG2 THR 15 2.871 3.332 11.458 119 H VAL 16 H VAL 16 5.975 1.303 10.114 120 HA VAL 16 HA VAL 16 4.121 2.012 8.039 121 HB VAL 16 HB VAL 16 7.155 1.702 8.066 122 HG11 VAL 16 1HG1 VAL 16 5.463 2.569 5.695 123 HG12 VAL 16 2HG1 VAL 16 6.436 1.100 5.789 124 HG13 VAL 16 3HG1 VAL 16 7.226 2.679 5.782 125 HG21 VAL 16 3HG2 VAL 16 6.243 3.704 9.220 126 HG22 VAL 16 1HG2 VAL 16 5.378 4.160 7.748 127 HG23 VAL 16 2HG2 VAL 16 7.145 4.171 7.776 128 H ARG 17 H ARG 17 5.970 -0.926 8.860 129 HA ARG 17 HA ARG 17 5.322 -2.425 6.535 130 HB2 ARG 17 2HB ARG 17 7.057 -3.082 8.181 131 HB3 ARG 17 1HB ARG 17 5.795 -3.495 9.333 132 HG2 ARG 17 2HG ARG 17 5.607 -4.819 6.649 133 HG3 ARG 17 1HG ARG 17 6.974 -5.283 7.640 134 HD2 ARG 17 2HD ARG 17 5.351 -5.819 9.487 135 HD3 ARG 17 1HD ARG 17 4.041 -5.505 8.354 136 HE ARG 17 HE ARG 17 5.613 -7.371 7.095 137 HH11 ARG 17 1HH1 ARG 17 3.928 -7.310 10.200 138 HH12 ARG 17 2HH1 ARG 17 3.672 -9.021 10.219 139 HH21 ARG 17 1HH2 ARG 17 5.225 -9.611 7.154 140 HH22 ARG 17 2HH2 ARG 17 4.402 -10.318 8.505 141 H LYS 18 H LYS 18 3.706 -1.975 9.634 142 HA LYS 18 HA LYS 18 1.546 -3.766 9.284 143 HB2 LYS 18 2HB LYS 18 2.381 -3.024 11.468 144 HB3 LYS 18 1HB LYS 18 1.906 -1.366 11.109 145 HG2 LYS 18 2HG LYS 18 -0.461 -2.028 11.104 146 HG3 LYS 18 1HG LYS 18 -0.004 -3.710 11.392 147 HD2 LYS 18 2HD LYS 18 -0.738 -2.600 13.480 148 HD3 LYS 18 1HD LYS 18 0.948 -3.118 13.569 149 HE2 LYS 18 2HE LYS 18 1.646 -0.758 13.034 150 HE3 LYS 18 1HE LYS 18 -0.055 -0.286 13.073 151 HZ1 LYS 18 3HZ LYS 18 1.482 -1.435 15.333 152 HZ2 LYS 18 1HZ LYS 18 -0.146 -0.985 15.383 153 HZ3 LYS 18 2HZ LYS 18 1.050 0.189 15.158 154 H GLN 19 H GLN 19 2.012 -0.336 8.563 155 HA GLN 19 HA GLN 19 -0.788 0.241 8.001 156 HB2 GLN 19 2HB GLN 19 1.247 1.793 8.950 157 HB3 GLN 19 1HB GLN 19 1.414 2.163 7.252 158 HG2 GLN 19 2HG GLN 19 -1.043 2.598 8.933 159 HG3 GLN 19 1HG GLN 19 0.083 3.832 8.444 160 HE21 GLN 19 1HE2 GLN 19 -2.401 1.643 7.345 161 HE22 GLN 19 2HE2 GLN 19 -2.737 2.440 5.863 162 H ALA 20 H ALA 20 -0.175 -1.757 6.424 163 HA ALA 20 HA ALA 20 -0.246 -0.925 3.737 164 HB1 ALA 20 1HB ALA 20 2.122 -0.552 3.955 165 HB2 ALA 20 2HB ALA 20 1.901 -2.044 3.043 166 HB3 ALA 20 3HB ALA 20 2.365 -2.115 4.749 167 H MET 21 H MET 21 0.687 -3.483 6.017 168 HA MET 21 HA MET 21 -0.166 -5.789 4.753 169 HB2 MET 21 2HB MET 21 -0.491 -5.068 7.697 170 HB3 MET 21 1HB MET 21 -0.621 -6.694 7.041 171 HG2 MET 21 2HG MET 21 1.795 -6.306 6.206 172 HG3 MET 21 1HG MET 21 1.822 -4.999 7.390 173 HE1 MET 21 3HE MET 21 0.936 -7.181 10.647 174 HE2 MET 21 1HE MET 21 -0.275 -6.532 9.549 175 HE3 MET 21 2HE MET 21 1.088 -5.529 10.046 176 H GLU 22 H GLU 22 -2.028 -3.721 6.907 177 HA GLU 22 HA GLU 22 -4.540 -4.930 6.804 178 HB2 GLU 22 2HB GLU 22 -3.880 -1.971 7.182 179 HB3 GLU 22 1HB GLU 22 -5.342 -2.793 7.743 180 HG2 GLU 22 2HG GLU 22 -4.106 -4.043 9.401 181 HG3 GLU 22 1HG GLU 22 -2.560 -3.535 8.719 182 H ASP 23 H ASP 23 -3.193 -2.237 5.028 183 HA ASP 23 HA ASP 23 -5.313 -1.362 3.463 184 HB2 ASP 23 2HB ASP 23 -2.304 -1.297 2.971 185 HB3 ASP 23 1HB ASP 23 -3.442 -0.282 2.092 186 H ILE 24 H ILE 24 -2.930 -3.895 2.836 187 HA ILE 24 HA ILE 24 -3.571 -4.526 0.140 188 HB ILE 24 HB ILE 24 -2.312 -6.180 2.374 189 HG12 ILE 24 2HG1 ILE 24 -0.952 -4.971 -0.062 190 HG13 ILE 24 1HG1 ILE 24 -1.098 -4.109 1.458 191 HG21 ILE 24 1HG2 ILE 24 -3.302 -7.748 0.757 192 HG22 ILE 24 2HG2 ILE 24 -1.541 -7.795 0.661 193 HG23 ILE 24 3HG2 ILE 24 -2.468 -6.931 -0.569 194 HD11 ILE 24 3HD1 ILE 24 1.082 -5.102 1.237 195 HD12 ILE 24 1HD1 ILE 24 0.376 -6.701 1.033 196 HD13 ILE 24 2HD1 ILE 24 0.213 -5.855 2.572 197 H GLU 25 H GLU 25 -4.611 -5.887 3.267 198 HA GLU 25 HA GLU 25 -6.235 -7.945 2.144 199 HB2 GLU 25 2HB GLU 25 -6.051 -6.913 4.994 200 HB3 GLU 25 1HB GLU 25 -6.867 -8.406 4.516 201 HG2 GLU 25 2HG GLU 25 -4.797 -9.443 3.871 202 HG3 GLU 25 1HG GLU 25 -3.918 -7.918 3.974 203 H ILE 26 H ILE 26 -6.836 -4.694 2.983 204 HA ILE 26 HA ILE 26 -9.725 -4.869 2.954 205 HB ILE 26 HB ILE 26 -7.844 -2.462 2.870 206 HG12 ILE 26 2HG1 ILE 26 -9.458 -3.521 5.246 207 HG13 ILE 26 1HG1 ILE 26 -7.790 -3.985 4.949 208 HG21 ILE 26 1HG2 ILE 26 -10.841 -2.520 3.403 209 HG22 ILE 26 2HG2 ILE 26 -10.064 -1.873 1.959 210 HG23 ILE 26 3HG2 ILE 26 -9.799 -1.097 3.521 211 HD11 ILE 26 3HD1 ILE 26 -7.950 -2.256 6.619 212 HD12 ILE 26 1HD1 ILE 26 -8.741 -1.176 5.468 213 HD13 ILE 26 2HD1 ILE 26 -7.074 -1.698 5.197 214 H ALA 27 H ALA 27 -7.118 -4.334 0.654 215 HA ALA 27 HA ALA 27 -8.793 -3.469 -1.545 216 HB1 ALA 27 1HB ALA 27 -5.944 -4.536 -1.563 217 HB2 ALA 27 2HB ALA 27 -6.415 -2.837 -1.480 218 HB3 ALA 27 3HB ALA 27 -6.770 -3.777 -2.930 219 H GLN 28 H GLN 28 -7.447 -6.507 -0.338 220 HA GLN 28 HA GLN 28 -7.834 -8.238 -2.468 221 HB2 GLN 28 2HB GLN 28 -7.950 -8.789 0.524 222 HB3 GLN 28 1HB GLN 28 -7.972 -10.071 -0.684 223 HG2 GLN 28 2HG GLN 28 -5.740 -9.397 -1.455 224 HG3 GLN 28 1HG GLN 28 -5.716 -8.085 -0.280 225 HE21 GLN 28 1HE2 GLN 28 -6.974 -11.332 0.405 226 HE22 GLN 28 2HE2 GLN 28 -5.740 -11.761 1.526 227 H SER 29 H SER 29 -10.076 -7.345 0.129 228 HA SER 29 HA SER 29 -12.072 -9.300 -0.723 229 HB2 SER 29 2HB SER 29 -11.439 -8.933 1.694 230 HB3 SER 29 1HB SER 29 -12.174 -7.333 1.601 231 HG SER 29 HG SER 29 -13.469 -9.822 1.197 232 H LYS 30 H LYS 30 -11.464 -6.813 -2.377 233 HA LYS 30 HA LYS 30 -12.265 -4.887 -3.190 234 HB2 LYS 30 2HB LYS 30 -14.502 -5.231 -4.452 235 HB3 LYS 30 1HB LYS 30 -13.127 -6.227 -4.879 236 HG2 LYS 30 2HG LYS 30 -14.849 -7.789 -4.903 237 HG3 LYS 30 1HG LYS 30 -14.200 -8.003 -3.279 238 HD2 LYS 30 2HD LYS 30 -16.028 -6.481 -2.426 239 HD3 LYS 30 1HD LYS 30 -16.706 -6.463 -4.057 240 HE2 LYS 30 2HE LYS 30 -17.906 -8.081 -2.710 241 HE3 LYS 30 1HE LYS 30 -16.958 -8.935 -3.926 242 HZ1 LYS 30 3HZ LYS 30 -16.810 -9.993 -1.758 243 HZ2 LYS 30 1HZ LYS 30 -16.166 -8.584 -1.082 244 HZ3 LYS 30 2HZ LYS 30 -15.302 -9.431 -2.259 245 H ASP 31 H ASP 31 -12.162 -4.121 -0.936 246 HA ASP 31 HA ASP 31 -14.701 -2.918 -0.100 247 HB2 ASP 31 2HB ASP 31 -11.881 -2.639 1.054 248 HB3 ASP 31 1HB ASP 31 -13.291 -1.771 1.655 249 H TYR 32 H TYR 32 -15.161 -0.835 -0.413 250 HA TYR 32 HA TYR 32 -13.736 0.492 -2.609 251 HB2 TYR 32 2HB TYR 32 -16.561 1.141 -1.681 252 HB3 TYR 32 1HB TYR 32 -15.850 1.381 -3.274 253 HD1 TYR 32 2HD TYR 32 -14.705 -1.346 -3.818 254 HD2 TYR 32 1HD TYR 32 -18.454 -0.242 -2.091 255 HE1 TYR 32 2HE TYR 32 -15.616 -3.516 -4.469 256 HE2 TYR 32 1HE TYR 32 -19.395 -2.408 -2.763 257 HH TYR 32 HH TYR 32 -17.553 -5.008 -3.692 258 H GLU 33 H GLU 33 -15.858 1.638 0.041 259 HA GLU 33 HA GLU 33 -14.259 4.081 0.240 260 HB2 GLU 33 2HB GLU 33 -16.890 3.400 1.583 261 HB3 GLU 33 1HB GLU 33 -16.094 4.975 1.585 262 HG2 GLU 33 2HG GLU 33 -16.274 4.850 -1.006 263 HG3 GLU 33 1HG GLU 33 -17.419 3.534 -0.728 264 H SER 34 H SER 34 -14.637 1.113 1.921 265 HA SER 34 HA SER 34 -13.567 1.915 4.453 266 HB2 SER 34 2HB SER 34 -13.469 -0.840 3.138 267 HB3 SER 34 1HB SER 34 -13.317 -0.485 4.864 268 HG SER 34 HG SER 34 -15.396 -0.834 4.830 269 H TRP 35 H TRP 35 -12.293 1.011 1.341 270 HA TRP 35 HA TRP 35 -9.526 0.814 2.178 271 HB2 TRP 35 2HB TRP 35 -10.583 -0.670 0.430 272 HB3 TRP 35 1HB TRP 35 -10.712 0.737 -0.626 273 HD1 TRP 35 HD TRP 35 -7.817 -0.975 1.370 274 HE1 TRP 35 1HE TRP 35 -5.762 -1.071 -0.156 275 HE3 TRP 35 3HE TRP 35 -9.758 1.351 -2.736 276 HZ2 TRP 35 2HZ TRP 35 -5.054 -0.275 -2.756 277 HZ3 TRP 35 3HZ TRP 35 -8.325 1.646 -4.718 278 HH2 TRP 35 HH TRP 35 -6.017 0.848 -4.727 279 H LYS 36 H LYS 36 -11.648 3.096 0.485 280 HA LYS 36 HA LYS 36 -9.842 5.124 -0.212 281 HB2 LYS 36 2HB LYS 36 -12.757 5.126 0.688 282 HB3 LYS 36 1HB LYS 36 -11.948 6.656 0.412 283 HG2 LYS 36 2HG LYS 36 -11.653 6.209 -1.905 284 HG3 LYS 36 1HG LYS 36 -12.084 4.513 -1.713 285 HD2 LYS 36 2HD LYS 36 -13.872 5.839 -2.804 286 HD3 LYS 36 1HD LYS 36 -14.409 5.082 -1.316 287 HE2 LYS 36 2HE LYS 36 -13.531 7.978 -1.370 288 HE3 LYS 36 1HE LYS 36 -15.162 7.513 -1.828 289 HZ1 LYS 36 3HZ LYS 36 -15.577 6.686 0.336 290 HZ2 LYS 36 1HZ LYS 36 -14.900 8.224 0.511 291 HZ3 LYS 36 2HZ LYS 36 -13.960 6.853 0.808 292 H SER 37 H SER 37 -11.360 4.351 2.933 293 HA SER 37 HA SER 37 -10.602 6.616 4.421 294 HB2 SER 37 2HB SER 37 -11.140 3.765 5.371 295 HB3 SER 37 1HB SER 37 -11.107 5.199 6.407 296 HG SER 37 HG SER 37 -13.146 4.246 5.027 297 H ARG 38 H ARG 38 -8.714 3.928 3.338 298 HA ARG 38 HA ARG 38 -6.531 4.271 5.168 299 HB2 ARG 38 2HB ARG 38 -6.952 2.670 2.629 300 HB3 ARG 38 1HB ARG 38 -5.336 2.798 3.334 301 HG2 ARG 38 2HG ARG 38 -7.815 1.734 4.783 302 HG3 ARG 38 1HG ARG 38 -6.529 0.740 4.076 303 HD2 ARG 38 2HD ARG 38 -4.903 1.567 5.620 304 HD3 ARG 38 1HD ARG 38 -5.951 2.870 6.165 305 HE ARG 38 HE ARG 38 -7.378 0.889 7.027 306 HH11 ARG 38 1HH1 ARG 38 -3.870 0.991 6.991 307 HH12 ARG 38 2HH1 ARG 38 -3.707 -0.003 8.406 308 HH21 ARG 38 1HH2 ARG 38 -7.153 -0.306 8.938 309 HH22 ARG 38 2HH2 ARG 38 -5.574 -0.732 9.504 310 H PHE 39 H PHE 39 -7.370 5.460 1.955 311 HA PHE 39 HA PHE 39 -4.854 6.764 1.436 312 HB2 PHE 39 2HB PHE 39 -7.580 6.855 0.098 313 HB3 PHE 39 1HB PHE 39 -6.255 7.886 -0.445 314 HD1 PHE 39 2HD PHE 39 -7.083 4.298 0.193 315 HD2 PHE 39 1HD PHE 39 -4.719 7.080 -2.048 316 HE1 PHE 39 2HE PHE 39 -6.213 2.469 -1.181 317 HE2 PHE 39 1HE PHE 39 -3.840 5.239 -3.407 318 HZ PHE 39 HZ PHE 39 -4.583 2.924 -2.978 319 H THR 40 H THR 40 -5.053 9.197 0.650 320 HA THR 40 HA THR 40 -5.741 10.851 2.903 321 HB THR 40 HB THR 40 -4.892 12.703 1.732 322 HG1 THR 40 1HG THR 40 -4.791 12.740 -0.629 323 HG21 THR 40 3HG2 THR 40 -3.530 10.456 0.226 324 HG22 THR 40 1HG2 THR 40 -3.100 10.986 1.860 325 HG23 THR 40 2HG2 THR 40 -2.900 12.082 0.489 326 H LYS 41 H LYS 41 -7.442 12.316 3.042 327 HA LYS 41 HA LYS 41 -9.977 11.551 2.201 328 HB2 LYS 41 2HB LYS 41 -8.881 14.151 3.197 329 HB3 LYS 41 1HB LYS 41 -10.594 13.970 2.824 330 HG2 LYS 41 2HG LYS 41 -10.753 12.116 4.467 331 HG3 LYS 41 1HG LYS 41 -9.038 12.302 4.850 332 HD2 LYS 41 2HD LYS 41 -10.353 13.410 6.554 333 HD3 LYS 41 1HD LYS 41 -9.492 14.624 5.607 334 HE2 LYS 41 2HE LYS 41 -11.586 15.051 4.316 335 HE3 LYS 41 1HE LYS 41 -12.424 13.876 5.336 336 HZ1 LYS 41 3HZ LYS 41 -11.113 16.345 6.328 337 HZ2 LYS 41 1HZ LYS 41 -12.005 15.245 7.246 338 HZ3 LYS 41 2HZ LYS 41 -12.767 16.170 6.055 339 H ASP 42 H ASP 42 -7.659 13.674 0.685 340 HA ASP 42 HA ASP 42 -9.238 14.690 -1.455 341 HB2 ASP 42 2HB ASP 42 -7.116 15.718 -0.716 342 HB3 ASP 42 1HB ASP 42 -6.227 14.277 -1.189 343 H LEU 43 H LEU 43 -7.132 11.851 -1.083 344 HA LEU 43 HA LEU 43 -7.308 10.978 -3.794 345 HB2 LEU 43 2HB LEU 43 -6.310 9.604 -1.305 346 HB3 LEU 43 1HB LEU 43 -6.348 8.797 -2.869 347 HG LEU 43 HG LEU 43 -4.665 11.201 -2.069 348 HD11 LEU 43 1HD1 LEU 43 -3.958 8.476 -3.134 349 HD12 LEU 43 2HD1 LEU 43 -3.796 9.025 -1.468 350 HD13 LEU 43 3HD1 LEU 43 -2.819 9.765 -2.729 351 HD21 LEU 43 3HD2 LEU 43 -4.946 10.012 -4.823 352 HD22 LEU 43 1HD2 LEU 43 -3.820 11.280 -4.327 353 HD23 LEU 43 2HD2 LEU 43 -5.550 11.600 -4.321 354 H GLN 44 H GLN 44 -9.328 10.527 -1.006 355 HA GLN 44 HA GLN 44 -10.689 8.188 -1.768 356 HB2 GLN 44 2HB GLN 44 -11.742 10.584 -0.230 357 HB3 GLN 44 1HB GLN 44 -12.502 8.983 -0.305 358 HG2 GLN 44 2HG GLN 44 -10.325 8.037 0.595 359 HG3 GLN 44 1HG GLN 44 -9.820 9.699 0.888 360 HE21 GLN 44 1HE2 GLN 44 -9.595 9.166 3.054 361 HE22 GLN 44 2HE2 GLN 44 -10.956 9.022 4.070 362 H SER 45 H SER 45 -10.978 11.533 -2.768 363 HA SER 45 HA SER 45 -13.215 11.108 -4.562 364 HB2 SER 45 2HB SER 45 -11.406 13.499 -4.171 365 HB3 SER 45 1HB SER 45 -12.877 13.481 -5.154 366 HG SER 45 HG SER 45 -13.804 12.647 -3.027 367 H SER 46 H SER 46 -9.799 10.706 -4.722 368 HA SER 46 HA SER 46 -9.655 11.081 -7.639 369 HB2 SER 46 2HB SER 46 -7.423 10.512 -5.639 370 HB3 SER 46 1HB SER 46 -7.227 10.964 -7.335 371 HG SER 46 HG SER 46 -8.039 12.525 -5.144 372 H LEU 47 H LEU 47 -10.132 8.553 -5.383 373 HA LEU 47 HA LEU 47 -8.744 6.418 -6.643 374 HB2 LEU 47 2HB LEU 47 -11.077 6.383 -4.710 375 HB3 LEU 47 1HB LEU 47 -10.372 4.921 -5.376 376 HG LEU 47 HG LEU 47 -9.311 6.745 -3.241 377 HD11 LEU 47 1HD1 LEU 47 -8.558 4.638 -2.273 378 HD12 LEU 47 2HD1 LEU 47 -9.081 3.783 -3.728 379 HD13 LEU 47 3HD1 LEU 47 -10.267 4.578 -2.695 380 HD21 LEU 47 3HD2 LEU 47 -7.436 5.273 -5.113 381 HD22 LEU 47 1HD2 LEU 47 -6.998 5.978 -3.551 382 HD23 LEU 47 2HD2 LEU 47 -7.535 7.021 -4.861 383 H THR 48 H THR 48 -9.439 4.857 -7.986 384 HA THR 48 HA THR 48 -12.016 5.184 -9.416 385 HB THR 48 HB THR 48 -10.960 4.006 -11.330 386 HG1 THR 48 1HG THR 48 -8.450 4.176 -10.016 387 HG21 THR 48 3HG2 THR 48 -10.744 6.476 -11.305 388 HG22 THR 48 1HG2 THR 48 -9.355 5.716 -12.085 389 HG23 THR 48 2HG2 THR 48 -9.215 6.330 -10.435 390 H GLU 49 H GLU 49 -13.250 3.247 -9.720 391 HA GLU 49 HA GLU 49 -12.840 1.063 -7.953 392 HB2 GLU 49 2HB GLU 49 -14.636 1.251 -10.389 393 HB3 GLU 49 1HB GLU 49 -14.631 -0.071 -9.266 394 HG2 GLU 49 2HG GLU 49 -16.479 1.217 -8.617 395 HG3 GLU 49 1HG GLU 49 -15.225 1.588 -7.445 396 H GLU 50 H GLU 50 -11.831 1.814 -11.176 397 HA GLU 50 HA GLU 50 -10.896 -0.567 -12.202 398 HB2 GLU 50 2HB GLU 50 -9.847 2.287 -12.415 399 HB3 GLU 50 1HB GLU 50 -9.349 0.977 -13.456 400 HG2 GLU 50 2HG GLU 50 -11.500 0.784 -14.474 401 HG3 GLU 50 1HG GLU 50 -12.257 1.761 -13.220 402 H SER 51 H SER 51 -9.498 1.535 -9.708 403 HA SER 51 HA SER 51 -6.932 0.341 -9.483 404 HB2 SER 51 2HB SER 51 -7.505 2.578 -8.533 405 HB3 SER 51 1HB SER 51 -8.535 1.800 -7.340 406 HG SER 51 HG SER 51 -6.193 0.614 -7.150 407 H TYR 52 H TYR 52 -10.062 -0.715 -8.398 408 HA TYR 52 HA TYR 52 -8.823 -3.144 -7.268 409 HB2 TYR 52 2HB TYR 52 -10.870 -3.260 -5.675 410 HB3 TYR 52 1HB TYR 52 -9.561 -2.178 -5.259 411 HD1 TYR 52 1HD TYR 52 -13.071 -2.212 -6.681 412 HD2 TYR 52 2HD TYR 52 -9.961 0.126 -4.915 413 HE1 TYR 52 1HE TYR 52 -14.654 -0.399 -6.260 414 HE2 TYR 52 2HE TYR 52 -11.538 1.950 -4.534 415 HH TYR 52 HH TYR 52 -14.937 1.543 -4.932 416 H ASP 53 H ASP 53 -9.575 -2.732 -9.927 417 HA ASP 53 HA ASP 53 -11.627 -4.857 -10.199 418 HB2 ASP 53 2HB ASP 53 -12.652 -2.651 -10.768 419 HB3 ASP 53 1HB ASP 53 -11.418 -2.397 -11.992 420 H SER 54 H SER 54 -9.246 -2.961 -12.146 421 HA SER 54 HA SER 54 -8.385 -5.130 -13.747 422 HB2 SER 54 2HB SER 54 -6.400 -3.697 -14.237 423 HB3 SER 54 1HB SER 54 -7.910 -2.817 -14.410 424 HG SER 54 HG SER 54 -7.271 -1.506 -12.919 425 H TYR 55 H TYR 55 -7.221 -3.726 -10.720 426 HA TYR 55 HA TYR 55 -5.151 -5.316 -9.920 427 HB2 TYR 55 2HB TYR 55 -5.760 -3.508 -8.509 428 HB3 TYR 55 1HB TYR 55 -7.449 -3.981 -8.463 429 HD1 TYR 55 1HD TYR 55 -4.069 -5.081 -7.267 430 HD2 TYR 55 2HD TYR 55 -8.282 -5.147 -6.560 431 HE1 TYR 55 1HE TYR 55 -3.706 -6.180 -5.121 432 HE2 TYR 55 2HE TYR 55 -7.901 -6.244 -4.403 433 HH TYR 55 HH TYR 55 -4.861 -6.456 -2.932 434 H LEU 56 H LEU 56 -8.633 -6.108 -9.728 435 HA LEU 56 HA LEU 56 -8.330 -8.504 -8.260 436 HB2 LEU 56 2HB LEU 56 -10.627 -7.566 -10.020 437 HB3 LEU 56 1HB LEU 56 -10.697 -9.016 -9.025 438 HG LEU 56 HG LEU 56 -10.468 -6.147 -8.033 439 HD11 LEU 56 1HD1 LEU 56 -12.712 -6.725 -8.793 440 HD12 LEU 56 2HD1 LEU 56 -12.677 -6.541 -7.041 441 HD13 LEU 56 3HD1 LEU 56 -12.724 -8.157 -7.757 442 HD21 LEU 56 3HD2 LEU 56 -9.142 -7.597 -6.577 443 HD22 LEU 56 1HD2 LEU 56 -10.511 -8.699 -6.389 444 HD23 LEU 56 2HD2 LEU 56 -10.600 -7.053 -5.753 445 H LYS 57 H LYS 57 -8.215 -7.789 -11.705 446 HA LYS 57 HA LYS 57 -8.473 -10.384 -12.737 447 HB2 LYS 57 2HB LYS 57 -6.822 -8.126 -13.887 448 HB3 LYS 57 1HB LYS 57 -7.460 -9.508 -14.762 449 HG2 LYS 57 2HG LYS 57 -9.155 -7.342 -13.469 450 HG3 LYS 57 1HG LYS 57 -8.715 -7.410 -15.162 451 HD2 LYS 57 2HD LYS 57 -10.884 -8.263 -15.216 452 HD3 LYS 57 1HD LYS 57 -9.932 -9.742 -15.159 453 HE2 LYS 57 2HE LYS 57 -10.378 -9.900 -12.711 454 HE3 LYS 57 1HE LYS 57 -11.321 -8.410 -12.807 455 HZ1 LYS 57 3HZ LYS 57 -11.945 -10.939 -14.211 456 HZ2 LYS 57 1HZ LYS 57 -12.849 -9.516 -14.289 457 HZ3 LYS 57 2HZ LYS 57 -12.717 -10.353 -12.828 458 H ILE 58 H ILE 58 -5.653 -8.604 -11.553 459 HA ILE 58 HA ILE 58 -3.679 -10.593 -12.008 460 HB ILE 58 HB ILE 58 -3.792 -8.340 -9.939 461 HG12 ILE 58 2HG1 ILE 58 -1.838 -7.409 -11.357 462 HG13 ILE 58 1HG1 ILE 58 -2.274 -8.604 -12.565 463 HG21 ILE 58 1HG2 ILE 58 -2.415 -10.078 -8.943 464 HG22 ILE 58 2HG2 ILE 58 -1.387 -8.732 -9.439 465 HG23 ILE 58 3HG2 ILE 58 -1.444 -10.205 -10.411 466 HD11 ILE 58 3HD1 ILE 58 -4.479 -7.586 -12.757 467 HD12 ILE 58 1HD1 ILE 58 -3.186 -6.429 -13.078 468 HD13 ILE 58 2HD1 ILE 58 -4.033 -6.403 -11.526 469 H LEU 59 H LEU 59 -5.676 -9.741 -9.228 470 HA LEU 59 HA LEU 59 -4.505 -11.356 -7.280 471 HB2 LEU 59 2HB LEU 59 -6.211 -9.348 -7.188 472 HB3 LEU 59 1HB LEU 59 -7.415 -10.588 -7.202 473 HG LEU 59 HG LEU 59 -6.294 -11.583 -5.135 474 HD11 LEU 59 1HD1 LEU 59 -4.111 -10.534 -5.356 475 HD12 LEU 59 2HD1 LEU 59 -4.852 -10.113 -3.815 476 HD13 LEU 59 3HD1 LEU 59 -4.828 -8.934 -5.129 477 HD21 LEU 59 3HD2 LEU 59 -7.346 -10.001 -3.588 478 HD22 LEU 59 1HD2 LEU 59 -8.374 -10.314 -4.984 479 HD23 LEU 59 2HD2 LEU 59 -7.470 -8.802 -4.879 480 H GLU 60 H GLU 60 -7.181 -11.961 -9.453 481 HA GLU 60 HA GLU 60 -8.361 -14.115 -8.152 482 HB2 GLU 60 2HB GLU 60 -8.544 -12.866 -10.880 483 HB3 GLU 60 1HB GLU 60 -9.352 -14.382 -10.607 484 HG2 GLU 60 2HG GLU 60 -10.674 -13.434 -8.809 485 HG3 GLU 60 1HG GLU 60 -9.778 -11.929 -8.946 486 H LYS 61 H LYS 61 -5.519 -13.997 -10.005 487 HA LYS 61 HA LYS 61 -5.434 -16.951 -10.246 488 HB2 LYS 61 2HB LYS 61 -3.975 -16.661 -12.237 489 HB3 LYS 61 1HB LYS 61 -5.607 -16.043 -12.471 490 HG2 LYS 61 2HG LYS 61 -4.733 -13.741 -11.989 491 HG3 LYS 61 1HG LYS 61 -3.104 -14.420 -11.950 492 HD2 LYS 61 2HD LYS 61 -4.999 -14.492 -14.339 493 HD3 LYS 61 1HD LYS 61 -3.649 -13.374 -14.148 494 HE2 LYS 61 2HE LYS 61 -2.051 -15.216 -14.260 495 HE3 LYS 61 1HE LYS 61 -3.359 -16.400 -14.295 496 HZ1 LYS 61 3HZ LYS 61 -2.491 -16.014 -16.498 497 HZ2 LYS 61 1HZ LYS 61 -2.816 -14.359 -16.383 498 HZ3 LYS 61 2HZ LYS 61 -4.087 -15.471 -16.403 499 H GLN 62 H GLN 62 -4.525 -14.868 -8.182 500 HA GLN 62 HA GLN 62 -1.685 -15.601 -7.921 501 HB2 GLN 62 2HB GLN 62 -3.381 -13.670 -6.289 502 HB3 GLN 62 1HB GLN 62 -1.678 -13.929 -6.096 503 HG2 GLN 62 2HG GLN 62 -3.037 -12.708 -8.454 504 HG3 GLN 62 1HG GLN 62 -2.080 -11.867 -7.256 505 HE21 GLN 62 1HE2 GLN 62 -2.037 -13.926 -10.012 506 HE22 GLN 62 2HE2 GLN 62 -0.369 -13.831 -10.320 507 H GLY 63 H GLY 63 -4.785 -16.601 -6.795 508 HA2 GLY 63 2HA GLY 63 -5.304 -18.167 -5.132 509 HA3 GLY 63 1HA GLY 63 -3.657 -18.130 -4.566 510 H GLU 64 H GLU 64 -5.010 -18.116 -2.514 511 HA GLU 64 HA GLU 64 -5.872 -15.464 -1.616 512 HB2 GLU 64 2HB GLU 64 -7.178 -17.410 -0.951 513 HB3 GLU 64 1HB GLU 64 -5.773 -18.158 -0.227 514 HG2 GLU 64 2HG GLU 64 -7.211 -17.271 1.510 515 HG3 GLU 64 1HG GLU 64 -5.697 -16.380 1.497 516 H PHE 65 H PHE 65 -4.885 -14.358 0.025 517 HA PHE 65 HA PHE 65 -2.096 -14.221 0.220 518 HB2 PHE 65 2HB PHE 65 -3.096 -12.217 0.836 519 HB3 PHE 65 1HB PHE 65 -4.413 -12.991 1.689 520 HD1 PHE 65 1HD PHE 65 -0.819 -12.004 1.991 521 HD2 PHE 65 2HD PHE 65 -4.330 -13.335 4.049 522 HE1 PHE 65 1HE PHE 65 0.264 -11.632 4.142 523 HE2 PHE 65 2HE PHE 65 -3.228 -12.934 6.191 524 HZ PHE 65 HZ PHE 65 -0.929 -12.089 6.239 525 H LYS 66 H LYS 66 -0.661 -15.251 1.513 526 HA LYS 66 HA LYS 66 -1.618 -17.257 3.483 527 HB2 LYS 66 2HB LYS 66 0.907 -17.420 1.774 528 HB3 LYS 66 1HB LYS 66 0.319 -18.652 2.887 529 HG2 LYS 66 2HG LYS 66 -1.030 -17.779 0.301 530 HG3 LYS 66 1HG LYS 66 -0.113 -19.268 0.548 531 HD2 LYS 66 2HD LYS 66 -2.677 -18.523 2.009 532 HD3 LYS 66 1HD LYS 66 -2.586 -19.615 0.621 533 HE2 LYS 66 2HE LYS 66 -1.229 -21.197 1.925 534 HE3 LYS 66 1HE LYS 66 -1.206 -20.085 3.296 535 HZ1 LYS 66 3HZ LYS 66 -2.835 -21.808 3.619 536 HZ2 LYS 66 1HZ LYS 66 -3.606 -21.412 2.168 537 HZ3 LYS 66 2HZ LYS 66 -3.612 -20.316 3.452 538 H GLU 67 H GLU 67 0.772 -14.753 2.725 539 HA GLU 67 HA GLU 67 1.498 -14.270 5.435 540 HB2 GLU 67 2HB GLU 67 2.711 -16.382 5.258 541 HB3 GLU 67 1HB GLU 67 3.440 -15.903 3.729 542 HG2 GLU 67 2HG GLU 67 4.819 -14.276 4.794 543 HG3 GLU 67 1HG GLU 67 3.962 -14.429 6.316 544 H PHE 68 H PHE 68 2.867 -12.407 5.603 545 HA PHE 68 HA PHE 68 3.358 -10.889 3.128 546 HB2 PHE 68 2HB PHE 68 3.568 -10.113 6.075 547 HB3 PHE 68 1HB PHE 68 3.967 -9.029 4.747 548 HD1 PHE 68 1HD PHE 68 1.990 -9.048 2.851 549 HD2 PHE 68 2HD PHE 68 1.434 -9.688 7.040 550 HE1 PHE 68 1HE PHE 68 -0.359 -8.374 2.644 551 HE2 PHE 68 2HE PHE 68 -0.918 -9.018 6.820 552 HZ PHE 68 HZ PHE 68 -1.819 -8.354 4.625 553 H GLY 69 H GLY 69 5.268 -11.157 2.173 554 HA2 GLY 69 2HA GLY 69 7.550 -12.431 3.412 555 HA3 GLY 69 1HA GLY 69 7.382 -11.922 1.755 556 H LYS 70 H LYS 70 9.258 -10.856 1.510 557 HA LYS 70 HA LYS 70 10.577 -9.227 3.396 558 HB2 LYS 70 2HB LYS 70 12.025 -10.118 1.828 559 HB3 LYS 70 1HB LYS 70 10.886 -9.930 0.494 560 HG2 LYS 70 2HG LYS 70 11.471 -7.652 0.172 561 HG3 LYS 70 1HG LYS 70 12.281 -7.536 1.731 562 HD2 LYS 70 2HD LYS 70 14.210 -8.610 0.976 563 HD3 LYS 70 1HD LYS 70 13.367 -9.463 -0.318 564 HE2 LYS 70 2HE LYS 70 13.902 -6.471 -0.306 565 HE3 LYS 70 1HE LYS 70 14.906 -7.658 -1.145 566 HZ1 LYS 70 3HZ LYS 70 13.351 -6.685 -2.676 567 HZ2 LYS 70 1HZ LYS 70 12.036 -7.078 -1.688 568 HZ3 LYS 70 2HZ LYS 70 12.929 -8.302 -2.435 569 H CYS 71 H CYS 71 10.582 -7.090 3.755 570 HA CYS 71 HA CYS 71 8.691 -5.378 2.243 571 HB2 CYS 71 2HB CYS 71 9.243 -4.950 5.162 572 HB3 CYS 71 1HB CYS 71 7.894 -4.388 4.205 573 HG CYS 71 HG CYS 71 7.510 -7.497 3.974 574 H THR 72 H THR 72 10.214 -4.386 1.013 575 HA THR 72 HA THR 72 12.429 -2.849 1.959 576 HB THR 72 HB THR 72 10.628 -2.555 -0.480 577 HG1 THR 72 1HG THR 72 13.125 -3.818 -0.046 578 HG21 THR 72 3HG2 THR 72 11.692 -0.388 -0.128 579 HG22 THR 72 1HG2 THR 72 12.434 -1.196 -1.514 580 HG23 THR 72 2HG2 THR 72 13.274 -1.165 0.038 581 H TYR 73 H TYR 73 12.364 -0.593 2.605 582 HA TYR 73 HA TYR 73 9.698 0.634 2.899 583 HB2 TYR 73 2HB TYR 73 12.121 1.177 4.656 584 HB3 TYR 73 1HB TYR 73 10.550 1.909 4.771 585 HD1 TYR 73 2HD TYR 73 8.568 0.574 5.486 586 HD2 TYR 73 1HD TYR 73 12.531 -1.002 5.645 587 HE1 TYR 73 2HE TYR 73 7.805 -1.202 7.013 588 HE2 TYR 73 1HE TYR 73 11.772 -2.773 7.157 589 HH TYR 73 HH TYR 73 8.567 -3.542 7.635 590 H LEU 74 H LEU 74 9.770 3.010 2.765 591 HA LEU 74 HA LEU 74 11.681 3.954 0.714 592 HB2 LEU 74 2HB LEU 74 8.665 4.122 0.323 593 HB3 LEU 74 1HB LEU 74 9.920 4.530 -0.838 594 HG LEU 74 HG LEU 74 9.394 1.683 0.129 595 HD11 LEU 74 1HD1 LEU 74 7.420 2.452 -0.997 596 HD12 LEU 74 2HD1 LEU 74 8.288 1.289 -1.996 597 HD13 LEU 74 3HD1 LEU 74 8.377 3.016 -2.372 598 HD21 LEU 74 3HD2 LEU 74 10.981 2.718 -2.234 599 HD22 LEU 74 1HD2 LEU 74 10.662 1.018 -1.854 600 HD23 LEU 74 2HD2 LEU 74 11.631 2.001 -0.756 601 H GLY 75 H GLY 75 11.382 6.229 0.284 602 HA2 GLY 75 2HA GLY 75 10.029 7.812 2.389 603 HA3 GLY 75 1HA GLY 75 11.714 8.137 1.915 604 H GLN 76 H GLN 76 9.565 9.968 1.688 605 HA GLN 76 HA GLN 76 10.120 10.817 -1.026 606 HB2 GLN 76 2HB GLN 76 7.170 10.904 -0.226 607 HB3 GLN 76 1HB GLN 76 7.869 11.182 -1.807 608 HG2 GLN 76 2HG GLN 76 8.174 8.820 -2.151 609 HG3 GLN 76 1HG GLN 76 7.784 8.468 -0.473 610 HE21 GLN 76 1HE2 GLN 76 5.622 8.458 0.189 611 HE22 GLN 76 2HE2 GLN 76 4.322 8.454 -0.952 612 H ILE 77 H ILE 77 9.753 13.094 -1.248 613 HA ILE 77 HA ILE 77 8.506 14.562 1.008 614 HB ILE 77 HB ILE 77 10.962 15.583 -0.520 615 HG12 ILE 77 2HG1 ILE 77 11.877 15.611 2.029 616 HG13 ILE 77 1HG1 ILE 77 10.724 14.309 2.213 617 HG21 ILE 77 1HG2 ILE 77 9.419 17.400 0.057 618 HG22 ILE 77 2HG2 ILE 77 10.893 17.520 1.022 619 HG23 ILE 77 3HG2 ILE 77 9.412 16.886 1.748 620 HD11 ILE 77 3HD1 ILE 77 12.911 13.463 1.806 621 HD12 ILE 77 1HD1 ILE 77 13.040 14.385 0.307 622 HD13 ILE 77 2HD1 ILE 77 11.858 13.072 0.440 623 H LYS 78 H LYS 78 7.045 16.025 0.325 624 HA LYS 78 HA LYS 78 6.475 16.299 -2.531 625 HB2 LYS 78 2HB LYS 78 4.663 15.951 -0.830 626 HB3 LYS 78 1HB LYS 78 5.059 17.518 -0.130 627 HG2 LYS 78 2HG LYS 78 4.443 18.597 -2.274 628 HG3 LYS 78 1HG LYS 78 4.033 17.007 -2.922 629 HD2 LYS 78 2HD LYS 78 2.014 18.241 -2.189 630 HD3 LYS 78 1HD LYS 78 2.242 16.743 -1.283 631 HE2 LYS 78 2HE LYS 78 3.182 18.036 0.610 632 HE3 LYS 78 1HE LYS 78 2.964 19.531 -0.302 633 HZ1 LYS 78 3HZ LYS 78 1.178 19.155 1.286 634 HZ2 LYS 78 1HZ LYS 78 0.784 17.692 0.536 635 HZ3 LYS 78 2HZ LYS 78 0.584 19.150 -0.296 636 H ASP 79 H ASP 79 6.597 18.660 0.095 637 HA ASP 79 HA ASP 79 8.415 20.450 -1.382 638 HB2 ASP 79 2HB ASP 79 5.757 21.197 -0.066 639 HB3 ASP 79 1HB ASP 79 6.998 22.389 -0.408 640 H ASN 80 H ASN 80 6.567 20.297 1.639 641 HA ASN 80 HA ASN 80 9.041 20.212 3.224 642 HB2 ASN 80 2HB ASN 80 7.964 21.518 4.973 643 HB3 ASN 80 1HB ASN 80 7.935 22.411 3.457 644 HD21 ASN 80 1HD2 ASN 80 6.234 22.621 5.834 645 HD22 ASN 80 2HD2 ASN 80 4.632 22.402 5.267 646 H LYS 81 H LYS 81 6.249 18.629 2.289 647 HA LYS 81 HA LYS 81 5.699 17.247 4.787 648 HB2 LYS 81 2HB LYS 81 4.432 17.360 2.060 649 HB3 LYS 81 1HB LYS 81 4.142 15.914 3.010 650 HG2 LYS 81 2HG LYS 81 3.527 18.732 3.948 651 HG3 LYS 81 1HG LYS 81 2.354 17.623 3.223 652 HD2 LYS 81 2HD LYS 81 2.686 16.024 5.088 653 HD3 LYS 81 1HD LYS 81 3.900 17.087 5.805 654 HE2 LYS 81 2HE LYS 81 2.136 18.840 6.076 655 HE3 LYS 81 1HE LYS 81 0.940 17.694 5.461 656 HZ1 LYS 81 3HZ LYS 81 1.412 16.249 7.322 657 HZ2 LYS 81 1HZ LYS 81 0.983 17.786 7.881 658 HZ3 LYS 81 2HZ LYS 81 2.601 17.303 7.888 659 H LYS 82 H LYS 82 6.314 15.217 5.267 660 HA LYS 82 HA LYS 82 8.229 13.841 3.469 661 HB2 LYS 82 2HB LYS 82 7.877 13.452 6.471 662 HB3 LYS 82 1HB LYS 82 9.148 12.766 5.471 663 HG2 LYS 82 2HG LYS 82 8.742 15.714 6.073 664 HG3 LYS 82 1HG LYS 82 9.913 14.651 6.872 665 HD2 LYS 82 2HD LYS 82 11.041 14.284 4.694 666 HD3 LYS 82 1HD LYS 82 9.863 15.351 3.913 667 HE2 LYS 82 2HE LYS 82 11.821 16.146 6.081 668 HE3 LYS 82 1HE LYS 82 11.951 16.544 4.366 669 HZ1 LYS 82 3HZ LYS 82 9.874 17.803 4.567 670 HZ2 LYS 82 1HZ LYS 82 11.061 18.395 5.611 671 HZ3 LYS 82 2HZ LYS 82 9.808 17.445 6.210 672 H TYR 83 H TYR 83 7.901 11.688 3.051 673 HA TYR 83 HA TYR 83 5.329 10.450 3.864 674 HB2 TYR 83 2HB TYR 83 6.463 10.563 1.052 675 HB3 TYR 83 1HB TYR 83 5.034 9.664 1.517 676 HD1 TYR 83 2HD TYR 83 6.399 13.149 1.188 677 HD2 TYR 83 1HD TYR 83 2.911 10.727 1.525 678 HE1 TYR 83 2HE TYR 83 4.992 15.101 0.722 679 HE2 TYR 83 1HE TYR 83 1.518 12.670 1.045 680 HH TYR 83 HH TYR 83 2.532 15.360 -0.331 681 H GLY 84 H GLY 84 5.369 8.284 4.227 682 HA2 GLY 84 2HA GLY 84 7.971 6.868 4.030 683 HA3 GLY 84 1HA GLY 84 6.772 6.620 5.300 684 H GLY 85 H GLY 85 7.994 5.015 2.921 685 HA2 GLY 85 2HA GLY 85 5.474 3.846 1.890 686 HA3 GLY 85 1HA GLY 85 6.917 4.058 0.898 687 H VAL 86 H VAL 86 5.841 1.616 1.002 688 HA VAL 86 HA VAL 86 8.037 0.049 1.986 689 HB VAL 86 HB VAL 86 6.859 0.118 4.079 690 HG11 VAL 86 1HG1 VAL 86 4.677 0.896 3.316 691 HG12 VAL 86 2HG1 VAL 86 4.495 -0.498 4.382 692 HG13 VAL 86 3HG1 VAL 86 4.317 -0.693 2.635 693 HG21 VAL 86 3HG2 VAL 86 6.287 -2.236 4.534 694 HG22 VAL 86 1HG2 VAL 86 7.738 -2.116 3.537 695 HG23 VAL 86 2HG2 VAL 86 6.197 -2.566 2.801 696 H ILE 87 H ILE 87 8.403 -1.505 0.552 697 HA ILE 87 HA ILE 87 6.290 -2.465 -1.276 698 HB ILE 87 HB ILE 87 9.327 -2.747 -1.462 699 HG12 ILE 87 2HG1 ILE 87 7.492 -1.228 -3.347 700 HG13 ILE 87 1HG1 ILE 87 8.238 -0.457 -1.982 701 HG21 ILE 87 1HG2 ILE 87 8.951 -3.777 -3.692 702 HG22 ILE 87 2HG2 ILE 87 7.208 -3.729 -3.418 703 HG23 ILE 87 3HG2 ILE 87 8.231 -4.751 -2.405 704 HD11 ILE 87 3HD1 ILE 87 9.633 -1.712 -4.337 705 HD12 ILE 87 1HD1 ILE 87 10.452 -1.026 -2.930 706 HD13 ILE 87 2HD1 ILE 87 9.479 0.009 -3.973 707 H ILE 88 H ILE 88 5.292 -3.809 0.108 708 HA ILE 88 HA ILE 88 6.826 -5.819 1.606 709 HB ILE 88 HB ILE 88 5.510 -4.466 3.072 710 HG12 ILE 88 2HG1 ILE 88 3.958 -7.069 2.731 711 HG13 ILE 88 1HG1 ILE 88 5.519 -6.934 3.534 712 HG21 ILE 88 1HG2 ILE 88 3.088 -4.114 2.906 713 HG22 ILE 88 2HG2 ILE 88 3.051 -5.020 1.393 714 HG23 ILE 88 3HG2 ILE 88 3.926 -3.490 1.480 715 HD11 ILE 88 3HD1 ILE 88 3.765 -7.019 5.163 716 HD12 ILE 88 1HD1 ILE 88 2.934 -5.655 4.418 717 HD13 ILE 88 2HD1 ILE 88 4.503 -5.420 5.196 718 H VAL 89 H VAL 89 7.056 -7.519 0.427 719 HA VAL 89 HA VAL 89 5.564 -8.646 -1.569 720 HB VAL 89 HB VAL 89 7.517 -9.824 0.457 721 HG11 VAL 89 1HG1 VAL 89 6.200 -11.386 -1.787 722 HG12 VAL 89 2HG1 VAL 89 5.962 -11.656 -0.056 723 HG13 VAL 89 3HG1 VAL 89 7.547 -11.951 -0.777 724 HG21 VAL 89 3HG2 VAL 89 7.698 -9.620 -2.544 725 HG22 VAL 89 1HG2 VAL 89 8.997 -10.061 -1.424 726 HG23 VAL 89 2HG2 VAL 89 8.361 -8.405 -1.424 727 H VAL 90 H VAL 90 3.886 -9.926 -1.650 728 HA VAL 90 HA VAL 90 2.794 -11.046 0.848 729 HB VAL 90 HB VAL 90 1.232 -10.129 -1.609 730 HG11 VAL 90 1HG1 VAL 90 -0.740 -10.944 -0.406 731 HG12 VAL 90 2HG1 VAL 90 0.297 -11.618 0.854 732 HG13 VAL 90 3HG1 VAL 90 0.371 -12.257 -0.791 733 HG21 VAL 90 3HG2 VAL 90 1.790 -8.379 0.102 734 HG22 VAL 90 1HG2 VAL 90 0.919 -9.379 1.287 735 HG23 VAL 90 2HG2 VAL 90 0.052 -8.693 -0.116 736 H LYS 91 H LYS 91 3.184 -13.052 0.875 737 HA LYS 91 HA LYS 91 3.495 -14.731 -1.466 738 HB2 LYS 91 2HB LYS 91 3.290 -15.481 1.480 739 HB3 LYS 91 1HB LYS 91 3.762 -16.563 0.167 740 HG2 LYS 91 2HG LYS 91 5.781 -15.191 -0.230 741 HG3 LYS 91 1HG LYS 91 5.304 -14.113 1.092 742 HD2 LYS 91 2HD LYS 91 5.469 -16.007 2.688 743 HD3 LYS 91 1HD LYS 91 5.932 -17.087 1.370 744 HE2 LYS 91 2HE LYS 91 7.973 -15.717 1.011 745 HE3 LYS 91 1HE LYS 91 7.508 -14.694 2.369 746 HZ1 LYS 91 3HZ LYS 91 7.694 -16.574 3.828 747 HZ2 LYS 91 1HZ LYS 91 9.139 -16.381 2.973 748 HZ3 LYS 91 2HZ LYS 91 8.059 -17.607 2.539 749 H TYR 92 H TYR 92 1.370 -14.219 -2.401 750 HA TYR 92 HA TYR 92 -0.989 -15.465 -1.310 751 HB2 TYR 92 2HB TYR 92 -0.270 -14.645 -4.168 752 HB3 TYR 92 1HB TYR 92 -1.792 -15.421 -3.764 753 HD1 TYR 92 2HD TYR 92 -3.434 -14.250 -2.328 754 HD2 TYR 92 1HD TYR 92 0.049 -12.254 -3.704 755 HE1 TYR 92 2HE TYR 92 -4.425 -12.119 -1.680 756 HE2 TYR 92 1HE TYR 92 -0.945 -10.089 -3.072 757 HH TYR 92 HH TYR 92 -3.308 -9.184 -2.683 758 H GLU 93 H GLU 93 -1.964 -17.438 -2.469 759 HA GLU 93 HA GLU 93 -0.390 -19.642 -1.895 760 HB2 GLU 93 2HB GLU 93 -2.963 -19.462 -2.021 761 HB3 GLU 93 1HB GLU 93 -2.798 -19.722 -3.753 762 HG2 GLU 93 2HG GLU 93 -1.681 -21.866 -3.347 763 HG3 GLU 93 1HG GLU 93 -1.804 -21.608 -1.613 764 H GLU 94 H GLU 94 -0.655 -17.896 -4.861 765 HA GLU 94 HA GLU 94 1.018 -19.836 -6.344 766 HB2 GLU 94 2HB GLU 94 -1.278 -18.200 -7.501 767 HB3 GLU 94 1HB GLU 94 -0.285 -19.374 -8.364 768 HG2 GLU 94 2HG GLU 94 -1.216 -21.179 -6.918 769 HG3 GLU 94 1HG GLU 94 -2.231 -19.984 -6.110 770 H GLY 95 H GLY 95 0.664 -16.530 -5.310 771 HA2 GLY 95 2HA GLY 95 2.695 -15.631 -7.310 772 HA3 GLY 95 1HA GLY 95 1.185 -14.765 -7.159 773 H ASN 96 H ASN 96 4.225 -14.207 -6.467 774 HA ASN 96 HA ASN 96 3.673 -12.856 -3.895 775 HB2 ASN 96 2HB ASN 96 6.139 -12.485 -5.597 776 HB3 ASN 96 1HB ASN 96 5.893 -11.889 -3.986 777 HD21 ASN 96 1HD2 ASN 96 5.967 -13.298 -2.259 778 HD22 ASN 96 2HD2 ASN 96 6.752 -14.811 -2.391 779 H VAL 97 H VAL 97 2.318 -11.254 -4.156 780 HA VAL 97 HA VAL 97 2.839 -9.276 -6.284 781 HB VAL 97 HB VAL 97 0.423 -9.265 -4.413 782 HG11 VAL 97 1HG1 VAL 97 0.877 -7.996 -7.146 783 HG12 VAL 97 2HG1 VAL 97 0.883 -7.152 -5.594 784 HG13 VAL 97 3HG1 VAL 97 -0.609 -7.881 -6.195 785 HG21 VAL 97 3HG2 VAL 97 0.521 -10.561 -7.155 786 HG22 VAL 97 1HG2 VAL 97 -0.910 -10.369 -6.137 787 HG23 VAL 97 2HG2 VAL 97 0.408 -11.417 -5.611 788 H ASN 98 H ASN 98 4.114 -7.681 -5.613 789 HA ASN 98 HA ASN 98 4.747 -7.566 -2.723 790 HB2 ASN 98 2HB ASN 98 6.394 -6.483 -5.079 791 HB3 ASN 98 1HB ASN 98 6.957 -6.782 -3.436 792 HD21 ASN 98 1HD2 ASN 98 8.068 -7.814 -5.878 793 HD22 ASN 98 2HD2 ASN 98 7.980 -9.534 -5.790 794 H TYR 99 H TYR 99 2.995 -6.189 -2.189 795 HA TYR 99 HA TYR 99 2.157 -3.963 -3.749 796 HB2 TYR 99 2HB TYR 99 1.575 -4.760 -0.857 797 HB3 TYR 99 1HB TYR 99 0.802 -3.399 -1.661 798 HD1 TYR 99 2HD TYR 99 1.184 -7.114 -1.777 799 HD2 TYR 99 1HD TYR 99 -1.047 -3.740 -3.055 800 HE1 TYR 99 2HE TYR 99 -0.535 -8.590 -2.680 801 HE2 TYR 99 1HE TYR 99 -2.769 -5.209 -3.960 802 HH TYR 99 HH TYR 99 -2.885 -7.578 -4.814 803 H SER 100 H SER 100 2.901 -1.874 -3.775 804 HA SER 100 HA SER 100 4.886 -0.955 -1.797 805 HB2 SER 100 2HB SER 100 5.573 -0.976 -4.208 806 HB3 SER 100 1HB SER 100 4.292 0.169 -4.558 807 HG SER 100 HG SER 100 5.310 1.652 -3.190 808 H LEU 101 H LEU 101 3.681 -0.067 -0.198 809 HA LEU 101 HA LEU 101 1.522 1.843 -0.828 810 HB2 LEU 101 2HB LEU 101 1.996 0.242 1.705 811 HB3 LEU 101 1HB LEU 101 0.619 1.264 1.389 812 HG LEU 101 HG LEU 101 0.589 -0.436 -0.828 813 HD11 LEU 101 1HD1 LEU 101 0.795 -2.660 -0.056 814 HD12 LEU 101 2HD1 LEU 101 1.322 -2.100 1.531 815 HD13 LEU 101 3HD1 LEU 101 2.319 -1.789 0.103 816 HD21 LEU 101 3HD2 LEU 101 -1.279 -1.600 0.089 817 HD22 LEU 101 1HD2 LEU 101 -1.416 0.140 0.397 818 HD23 LEU 101 2HD2 LEU 101 -0.941 -0.948 1.710 819 H ALA 102 H ALA 102 2.293 3.753 -0.823 820 HA ALA 102 HA ALA 102 4.119 4.765 1.285 821 HB1 ALA 102 1HB ALA 102 4.888 6.424 -0.367 822 HB2 ALA 102 2HB ALA 102 3.773 5.768 -1.568 823 HB3 ALA 102 3HB ALA 102 5.113 4.783 -0.982 824 H TYR 103 H TYR 103 3.540 6.625 2.355 825 HA TYR 103 HA TYR 103 1.043 8.045 1.852 826 HB2 TYR 103 2HB TYR 103 0.505 7.536 4.454 827 HB3 TYR 103 1HB TYR 103 -0.043 6.493 3.166 828 HD1 TYR 103 2HD TYR 103 0.846 4.302 2.808 829 HD2 TYR 103 1HD TYR 103 2.344 6.774 5.964 830 HE1 TYR 103 2HE TYR 103 1.879 2.363 3.816 831 HE2 TYR 103 1HE TYR 103 3.354 4.774 7.003 832 HH TYR 103 HH TYR 103 3.482 1.749 5.309 833 H ASP 104 H ASP 104 0.718 9.788 3.616 834 HA ASP 104 HA ASP 104 3.254 11.153 4.074 835 HB2 ASP 104 2HB ASP 104 1.651 12.909 5.157 836 HB3 ASP 104 1HB ASP 104 1.523 12.621 3.429 837 H GLU 105 H GLU 105 3.529 12.257 6.298 838 HA GLU 105 HA GLU 105 3.937 10.407 8.391 839 HB2 GLU 105 2HB GLU 105 3.744 13.443 8.466 840 HB3 GLU 105 1HB GLU 105 4.325 12.457 9.806 841 HG2 GLU 105 2HG GLU 105 6.267 11.784 8.622 842 HG3 GLU 105 1HG GLU 105 5.640 12.360 7.084 843 H ASP 106 H ASP 106 1.192 12.358 7.519 844 HA ASP 106 HA ASP 106 -0.200 12.300 10.034 845 HB2 ASP 106 2HB ASP 106 -1.432 12.797 7.282 846 HB3 ASP 106 1HB ASP 106 -2.044 13.340 8.845 847 H MET 107 H MET 107 0.269 10.114 7.455 848 HA MET 107 HA MET 107 0.000 7.912 7.339 849 HB2 MET 107 2HB MET 107 0.058 7.820 9.790 850 HB3 MET 107 1HB MET 107 -1.660 8.158 9.871 851 HG2 MET 107 2HG MET 107 -2.250 5.993 9.263 852 HG3 MET 107 1HG MET 107 -0.747 5.712 8.385 853 HE1 MET 107 3HE MET 107 1.496 6.545 10.308 854 HE2 MET 107 1HE MET 107 1.483 5.003 9.446 855 HE3 MET 107 2HE MET 107 1.812 5.048 11.180 856 H ASN 108 H ASN 108 -1.257 9.363 5.631 857 HA ASN 108 HA ASN 108 -3.764 7.866 5.070 858 HB2 ASN 108 2HB ASN 108 -3.303 10.650 3.926 859 HB3 ASN 108 1HB ASN 108 -4.805 9.768 4.112 860 HD21 ASN 108 1HD2 ASN 108 -2.518 11.849 5.577 861 HD22 ASN 108 2HD2 ASN 108 -3.397 12.178 7.003 862 H LEU 109 H LEU 109 -3.587 6.747 3.139 863 HA LEU 109 HA LEU 109 -1.027 6.534 2.056 864 HB2 LEU 109 2HB LEU 109 -3.129 4.788 2.192 865 HB3 LEU 109 1HB LEU 109 -3.149 5.177 0.470 866 HG LEU 109 HG LEU 109 -0.445 4.603 1.587 867 HD11 LEU 109 1HD1 LEU 109 -2.393 2.346 1.332 868 HD12 LEU 109 2HD1 LEU 109 -1.624 2.937 2.806 869 HD13 LEU 109 3HD1 LEU 109 -0.643 2.215 1.534 870 HD21 LEU 109 3HD2 LEU 109 -0.171 3.414 -0.504 871 HD22 LEU 109 1HD2 LEU 109 -0.819 5.032 -0.780 872 HD23 LEU 109 2HD2 LEU 109 -1.890 3.622 -0.860 873 H VAL 110 H VAL 110 -0.295 6.946 0.068 874 HA VAL 110 HA VAL 110 -1.569 9.236 -1.257 875 HB VAL 110 HB VAL 110 0.413 9.553 0.585 876 HG11 VAL 110 1HG1 VAL 110 2.020 9.304 -1.975 877 HG12 VAL 110 2HG1 VAL 110 2.126 8.240 -0.572 878 HG13 VAL 110 3HG1 VAL 110 2.613 9.931 -0.437 879 HG21 VAL 110 3HG2 VAL 110 0.894 11.736 -0.350 880 HG22 VAL 110 1HG2 VAL 110 -0.824 11.368 -0.460 881 HG23 VAL 110 2HG2 VAL 110 0.194 11.261 -1.899 882 H SER 111 H SER 111 0.137 6.254 -1.544 883 HA SER 111 HA SER 111 0.182 6.298 -4.427 884 HB2 SER 111 2HB SER 111 2.878 6.488 -2.986 885 HB3 SER 111 1HB SER 111 2.685 6.045 -4.685 886 HG SER 111 HG SER 111 1.431 8.204 -4.660 887 H PHE 112 H PHE 112 -1.106 4.472 -3.836 888 HA PHE 112 HA PHE 112 0.351 2.077 -2.962 889 HB2 PHE 112 2HB PHE 112 -1.743 2.041 -1.929 890 HB3 PHE 112 1HB PHE 112 -2.589 2.749 -3.282 891 HD1 PHE 112 1HD PHE 112 -3.323 1.230 -5.191 892 HD2 PHE 112 2HD PHE 112 -1.394 -0.373 -1.724 893 HE1 PHE 112 1HE PHE 112 -4.093 -1.025 -5.783 894 HE2 PHE 112 2HE PHE 112 -2.195 -2.598 -2.321 895 HZ PHE 112 HZ PHE 112 -3.531 -2.944 -4.355 896 H THR 113 H THR 113 1.386 0.963 -4.453 897 HA THR 113 HA THR 113 -0.032 0.266 -6.964 898 HB THR 113 HB THR 113 2.171 -0.174 -8.047 899 HG1 THR 113 1HG THR 113 3.872 -0.338 -6.832 900 HG21 THR 113 3HG2 THR 113 2.063 2.634 -6.919 901 HG22 THR 113 1HG2 THR 113 1.242 2.072 -8.376 902 HG23 THR 113 2HG2 THR 113 3.006 2.124 -8.322 903 H MET 114 H MET 114 0.770 -2.021 -7.659 904 HA MET 114 HA MET 114 1.619 -3.601 -5.320 905 HB2 MET 114 2HB MET 114 0.290 -4.847 -7.714 906 HB3 MET 114 1HB MET 114 0.396 -5.432 -6.070 907 HG2 MET 114 2HG MET 114 -1.817 -4.823 -6.249 908 HG3 MET 114 1HG MET 114 -1.127 -3.413 -5.498 909 HE1 MET 114 3HE MET 114 -2.641 -3.727 -9.812 910 HE2 MET 114 1HE MET 114 -2.822 -4.948 -8.549 911 HE3 MET 114 2HE MET 114 -1.238 -4.655 -9.275 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 9.234 15.930 -4.015 2 H2 GLY 1 2HT GLY 1 10.084 16.424 -5.387 3 H3 GLY 1 3HT GLY 1 9.488 17.577 -4.300 4 HA2 GLY 1 1HA GLY 1 11.843 17.318 -3.985 5 HA3 GLY 1 2HA GLY 1 10.957 16.746 -2.575 6 H GLU 2 H GLU 2 12.933 15.573 -2.121 7 HA GLU 2 HA GLU 2 13.988 13.511 -3.763 8 HB2 GLU 2 2HB GLU 2 15.312 14.588 -1.980 9 HB3 GLU 2 1HB GLU 2 14.208 13.971 -0.765 10 HG2 GLU 2 2HG GLU 2 16.302 12.686 -0.794 11 HG3 GLU 2 1HG GLU 2 14.920 11.675 -1.213 12 H ILE 3 H ILE 3 13.510 11.382 -3.860 13 HA ILE 3 HA ILE 3 11.511 10.212 -2.023 14 HB ILE 3 HB ILE 3 11.929 9.513 -4.972 15 HG12 ILE 3 2HG1 ILE 3 9.674 10.949 -3.504 16 HG13 ILE 3 1HG1 ILE 3 10.691 11.595 -4.783 17 HG21 ILE 3 1HG2 ILE 3 11.387 7.492 -3.637 18 HG22 ILE 3 2HG2 ILE 3 10.072 7.910 -4.733 19 HG23 ILE 3 3HG2 ILE 3 9.943 8.292 -3.014 20 HD11 ILE 3 3HD1 ILE 3 8.494 11.145 -5.618 21 HD12 ILE 3 1HD1 ILE 3 8.571 9.478 -5.054 22 HD13 ILE 3 2HD1 ILE 3 9.630 10.021 -6.358 23 H LEU 4 H LEU 4 12.694 9.124 -0.626 24 HA LEU 4 HA LEU 4 15.387 8.328 -1.151 25 HB2 LEU 4 2HB LEU 4 13.818 7.868 1.405 26 HB3 LEU 4 1HB LEU 4 15.563 7.852 1.208 27 HG LEU 4 HG LEU 4 15.256 10.356 0.524 28 HD11 LEU 4 1HD1 LEU 4 13.417 11.549 1.488 29 HD12 LEU 4 2HD1 LEU 4 12.691 10.017 1.995 30 HD13 LEU 4 3HD1 LEU 4 12.905 10.370 0.278 31 HD21 LEU 4 3HD2 LEU 4 16.405 9.637 2.579 32 HD22 LEU 4 1HD2 LEU 4 14.846 9.563 3.405 33 HD23 LEU 4 2HD2 LEU 4 15.475 11.110 2.834 34 H LYS 5 H LYS 5 16.179 6.185 -0.348 35 HA LYS 5 HA LYS 5 14.391 3.952 -1.046 36 HB2 LYS 5 2HB LYS 5 17.396 3.828 -0.743 37 HB3 LYS 5 1HB LYS 5 16.346 2.699 -1.540 38 HG2 LYS 5 2HG LYS 5 17.148 3.694 -3.427 39 HG3 LYS 5 1HG LYS 5 15.868 4.854 -3.108 40 HD2 LYS 5 2HD LYS 5 17.957 6.036 -3.606 41 HD3 LYS 5 1HD LYS 5 17.510 6.311 -1.919 42 HE2 LYS 5 2HE LYS 5 19.112 4.450 -1.287 43 HE3 LYS 5 1HE LYS 5 19.635 4.411 -2.970 44 HZ1 LYS 5 3HZ LYS 5 20.438 6.622 -2.785 45 HZ2 LYS 5 1HZ LYS 5 21.059 5.725 -1.490 46 HZ3 LYS 5 2HZ LYS 5 19.783 6.806 -1.236 47 H GLU 6 H GLU 6 14.427 5.412 1.517 48 HA GLU 6 HA GLU 6 14.542 3.267 3.425 49 HB2 GLU 6 2HB GLU 6 16.251 4.262 4.899 50 HB3 GLU 6 1HB GLU 6 16.946 3.880 3.325 51 HG2 GLU 6 2HG GLU 6 16.610 6.308 2.687 52 HG3 GLU 6 1HG GLU 6 16.144 6.624 4.359 53 H LEU 7 H LEU 7 13.976 4.181 5.663 54 HA LEU 7 HA LEU 7 11.849 6.187 5.383 55 HB2 LEU 7 2HB LEU 7 12.526 4.292 7.659 56 HB3 LEU 7 1HB LEU 7 11.191 5.444 7.698 57 HG LEU 7 HG LEU 7 11.495 2.959 5.997 58 HD11 LEU 7 1HD1 LEU 7 9.410 2.277 7.026 59 HD12 LEU 7 2HD1 LEU 7 9.355 3.775 7.962 60 HD13 LEU 7 3HD1 LEU 7 10.649 2.604 8.235 61 HD21 LEU 7 3HD2 LEU 7 9.387 3.495 4.877 62 HD22 LEU 7 1HD2 LEU 7 10.622 4.689 4.506 63 HD23 LEU 7 2HD2 LEU 7 9.342 5.080 5.662 64 HA PRO 8 HA PRO 8 14.647 9.109 7.625 65 HB2 PRO 8 2HB PRO 8 13.432 11.392 6.726 66 HB3 PRO 8 1HB PRO 8 14.610 10.503 5.736 67 HG2 PRO 8 2HG PRO 8 11.606 10.421 5.604 68 HG3 PRO 8 1HG PRO 8 12.785 10.551 4.277 69 HD2 PRO 8 2HD PRO 8 11.641 8.171 4.956 70 HD3 PRO 8 1HD PRO 8 13.289 8.285 4.311 71 H GLU 9 H GLU 9 13.339 11.437 8.565 72 HA GLU 9 HA GLU 9 12.398 10.626 11.053 73 HB2 GLU 9 2HB GLU 9 11.892 13.010 11.417 74 HB3 GLU 9 1HB GLU 9 13.443 12.805 10.608 75 HG2 GLU 9 2HG GLU 9 12.325 13.320 8.429 76 HG3 GLU 9 1HG GLU 9 10.831 13.645 9.304 77 H GLY 10 H GLY 10 10.434 10.508 12.030 78 HA2 GLY 10 2HA GLY 10 8.134 10.936 12.302 79 HA3 GLY 10 1HA GLY 10 7.963 11.157 10.568 80 H PHE 11 H PHE 11 9.399 8.727 9.854 81 HA PHE 11 HA PHE 11 7.112 6.896 10.094 82 HB2 PHE 11 2HB PHE 11 9.528 6.436 8.331 83 HB3 PHE 11 1HB PHE 11 7.888 5.908 8.063 84 HD1 PHE 11 2HD PHE 11 6.142 7.988 7.840 85 HD2 PHE 11 1HD PHE 11 10.302 8.149 7.031 86 HE1 PHE 11 2HE PHE 11 5.786 9.976 6.460 87 HE2 PHE 11 1HE PHE 11 9.955 10.158 5.653 88 HZ PHE 11 HZ PHE 11 7.697 11.066 5.367 89 H ASP 12 H ASP 12 7.815 4.467 10.086 90 HA ASP 12 HA ASP 12 10.150 3.789 11.687 91 HB2 ASP 12 2HB ASP 12 8.419 4.317 13.422 92 HB3 ASP 12 1HB ASP 12 7.348 3.142 12.715 93 H LYS 13 H LYS 13 10.852 1.755 11.109 94 HA LYS 13 HA LYS 13 9.902 0.553 8.795 95 HB2 LYS 13 2HB LYS 13 11.717 -0.510 10.980 96 HB3 LYS 13 1HB LYS 13 11.530 -1.226 9.395 97 HG2 LYS 13 2HG LYS 13 12.381 0.865 8.351 98 HG3 LYS 13 1HG LYS 13 12.601 1.552 9.962 99 HD2 LYS 13 2HD LYS 13 14.739 0.748 9.130 100 HD3 LYS 13 1HD LYS 13 14.228 -0.264 10.480 101 HE2 LYS 13 2HE LYS 13 13.443 -1.984 8.877 102 HE3 LYS 13 1HE LYS 13 13.971 -0.953 7.537 103 HZ1 LYS 13 3HZ LYS 13 16.237 -1.139 8.344 104 HZ2 LYS 13 1HZ LYS 13 15.583 -2.673 8.060 105 HZ3 LYS 13 2HZ LYS 13 15.729 -2.096 9.644 106 H GLU 14 H GLU 14 9.394 -0.346 12.186 107 HA GLU 14 HA GLU 14 8.131 -2.888 11.544 108 HB2 GLU 14 2HB GLU 14 8.439 -1.435 14.208 109 HB3 GLU 14 1HB GLU 14 7.888 -3.101 14.018 110 HG2 GLU 14 2HG GLU 14 10.041 -3.779 13.128 111 HG3 GLU 14 1HG GLU 14 10.604 -2.110 13.086 112 H THR 15 H THR 15 7.114 0.367 12.301 113 HA THR 15 HA THR 15 4.321 -0.248 12.747 114 HB THR 15 HB THR 15 5.719 2.441 12.290 115 HG1 THR 15 1HG THR 15 6.421 1.368 14.178 116 HG21 THR 15 3HG2 THR 15 3.255 2.574 11.856 117 HG22 THR 15 1HG2 THR 15 3.719 3.468 13.306 118 HG23 THR 15 2HG2 THR 15 2.954 1.887 13.452 119 H VAL 16 H VAL 16 6.315 0.848 10.044 120 HA VAL 16 HA VAL 16 4.126 1.586 8.326 121 HB VAL 16 HB VAL 16 7.145 1.494 7.919 122 HG11 VAL 16 1HG1 VAL 16 5.094 2.280 5.817 123 HG12 VAL 16 2HG1 VAL 16 6.242 0.939 5.729 124 HG13 VAL 16 3HG1 VAL 16 6.828 2.604 5.708 125 HG21 VAL 16 3HG2 VAL 16 6.908 3.968 7.756 126 HG22 VAL 16 1HG2 VAL 16 6.249 3.368 9.279 127 HG23 VAL 16 2HG2 VAL 16 5.159 3.819 7.967 128 H ARG 17 H ARG 17 6.172 -1.293 8.716 129 HA ARG 17 HA ARG 17 5.304 -2.693 6.405 130 HB2 ARG 17 2HB ARG 17 7.190 -3.454 7.889 131 HB3 ARG 17 1HB ARG 17 6.000 -3.946 9.093 132 HG2 ARG 17 2HG ARG 17 4.988 -5.482 7.362 133 HG3 ARG 17 1HG ARG 17 6.321 -5.070 6.281 134 HD2 ARG 17 2HD ARG 17 7.879 -5.916 8.098 135 HD3 ARG 17 1HD ARG 17 6.446 -6.540 8.928 136 HE ARG 17 HE ARG 17 7.582 -7.478 6.384 137 HH11 ARG 17 1HH1 ARG 17 5.112 -7.922 8.863 138 HH12 ARG 17 2HH1 ARG 17 4.675 -9.496 8.294 139 HH21 ARG 17 1HH2 ARG 17 6.965 -9.507 5.643 140 HH22 ARG 17 2HH2 ARG 17 5.727 -10.403 6.466 141 H LYS 18 H LYS 18 4.137 -2.701 9.752 142 HA LYS 18 HA LYS 18 2.043 -4.536 9.550 143 HB2 LYS 18 2HB LYS 18 3.169 -3.826 11.636 144 HB3 LYS 18 1HB LYS 18 2.458 -2.222 11.483 145 HG2 LYS 18 2HG LYS 18 0.206 -3.217 11.741 146 HG3 LYS 18 1HG LYS 18 0.944 -4.812 11.917 147 HD2 LYS 18 2HD LYS 18 2.158 -4.009 13.939 148 HD3 LYS 18 1HD LYS 18 1.371 -2.436 13.778 149 HE2 LYS 18 2HE LYS 18 -0.829 -3.520 14.130 150 HE3 LYS 18 1HE LYS 18 -0.029 -5.084 14.301 151 HZ1 LYS 18 3HZ LYS 18 1.194 -4.126 16.206 152 HZ2 LYS 18 1HZ LYS 18 -0.479 -4.209 16.456 153 HZ3 LYS 18 2HZ LYS 18 0.252 -2.729 16.078 154 H GLN 19 H GLN 19 2.105 -1.005 9.244 155 HA GLN 19 HA GLN 19 -0.762 -0.722 9.049 156 HB2 GLN 19 2HB GLN 19 0.721 0.954 10.188 157 HB3 GLN 19 1HB GLN 19 1.445 1.346 8.637 158 HG2 GLN 19 2HG GLN 19 -0.226 3.022 9.377 159 HG3 GLN 19 1HG GLN 19 -0.644 2.285 7.833 160 HE21 GLN 19 1HE2 GLN 19 -2.464 0.952 7.693 161 HE22 GLN 19 2HE2 GLN 19 -3.631 0.840 8.959 162 H ALA 20 H ALA 20 1.486 -1.789 6.857 163 HA ALA 20 HA ALA 20 0.001 -0.838 4.489 164 HB1 ALA 20 1HB ALA 20 1.744 -1.928 3.190 165 HB2 ALA 20 2HB ALA 20 2.461 -2.606 4.661 166 HB3 ALA 20 3HB ALA 20 2.476 -0.862 4.391 167 H MET 21 H MET 21 0.666 -3.650 6.536 168 HA MET 21 HA MET 21 -0.323 -5.693 4.904 169 HB2 MET 21 2HB MET 21 -0.303 -5.616 7.947 170 HB3 MET 21 1HB MET 21 -0.538 -7.065 6.975 171 HG2 MET 21 2HG MET 21 1.778 -6.520 5.974 172 HG3 MET 21 1HG MET 21 1.975 -5.451 7.361 173 HE1 MET 21 3HE MET 21 1.476 -8.201 10.257 174 HE2 MET 21 1HE MET 21 0.175 -7.313 9.468 175 HE3 MET 21 2HE MET 21 1.649 -6.472 9.963 176 H GLU 22 H GLU 22 -1.952 -3.577 7.179 177 HA GLU 22 HA GLU 22 -4.540 -4.710 7.215 178 HB2 GLU 22 2HB GLU 22 -4.072 -1.688 7.310 179 HB3 GLU 22 1HB GLU 22 -5.288 -2.633 8.163 180 HG2 GLU 22 2HG GLU 22 -2.322 -2.480 8.785 181 HG3 GLU 22 1HG GLU 22 -3.631 -1.755 9.712 182 H ASP 23 H ASP 23 -3.189 -2.037 5.338 183 HA ASP 23 HA ASP 23 -5.421 -1.328 3.815 184 HB2 ASP 23 2HB ASP 23 -2.443 -0.872 3.276 185 HB3 ASP 23 1HB ASP 23 -3.739 -0.025 2.434 186 H ILE 24 H ILE 24 -2.935 -3.713 3.226 187 HA ILE 24 HA ILE 24 -3.409 -4.368 0.512 188 HB ILE 24 HB ILE 24 -2.341 -5.999 2.857 189 HG12 ILE 24 2HG1 ILE 24 -0.889 -4.755 0.471 190 HG13 ILE 24 1HG1 ILE 24 -0.966 -4.064 2.085 191 HG21 ILE 24 1HG2 ILE 24 -2.380 -6.888 -0.054 192 HG22 ILE 24 2HG2 ILE 24 -3.265 -7.630 1.279 193 HG23 ILE 24 3HG2 ILE 24 -1.505 -7.698 1.249 194 HD11 ILE 24 3HD1 ILE 24 1.156 -5.135 1.687 195 HD12 ILE 24 1HD1 ILE 24 0.357 -6.668 1.353 196 HD13 ILE 24 2HD1 ILE 24 0.281 -5.966 2.972 197 H GLU 25 H GLU 25 -4.734 -5.704 3.549 198 HA GLU 25 HA GLU 25 -6.313 -7.708 2.241 199 HB2 GLU 25 2HB GLU 25 -6.208 -6.796 5.146 200 HB3 GLU 25 1HB GLU 25 -7.172 -8.167 4.573 201 HG2 GLU 25 2HG GLU 25 -5.107 -9.265 3.762 202 HG3 GLU 25 1HG GLU 25 -4.149 -7.930 4.407 203 H ILE 26 H ILE 26 -6.944 -4.420 3.180 204 HA ILE 26 HA ILE 26 -9.822 -4.586 3.098 205 HB ILE 26 HB ILE 26 -8.430 -1.995 2.340 206 HG12 ILE 26 2HG1 ILE 26 -7.063 -2.765 4.240 207 HG13 ILE 26 1HG1 ILE 26 -8.031 -1.373 4.701 208 HG21 ILE 26 1HG2 ILE 26 -10.262 -0.968 3.668 209 HG22 ILE 26 2HG2 ILE 26 -10.865 -2.578 4.062 210 HG23 ILE 26 3HG2 ILE 26 -10.874 -2.018 2.394 211 HD11 ILE 26 3HD1 ILE 26 -9.580 -2.875 5.879 212 HD12 ILE 26 1HD1 ILE 26 -7.922 -3.000 6.472 213 HD13 ILE 26 2HD1 ILE 26 -8.571 -4.249 5.414 214 H ALA 27 H ALA 27 -7.226 -4.118 0.784 215 HA ALA 27 HA ALA 27 -8.873 -3.473 -1.500 216 HB1 ALA 27 1HB ALA 27 -6.765 -3.655 -2.778 217 HB2 ALA 27 2HB ALA 27 -5.951 -4.304 -1.351 218 HB3 ALA 27 3HB ALA 27 -6.562 -2.651 -1.341 219 H GLN 28 H GLN 28 -7.419 -6.400 -0.111 220 HA GLN 28 HA GLN 28 -7.968 -8.240 -2.182 221 HB2 GLN 28 2HB GLN 28 -7.840 -8.681 0.828 222 HB3 GLN 28 1HB GLN 28 -7.944 -9.988 -0.348 223 HG2 GLN 28 2HG GLN 28 -5.775 -9.254 -1.310 224 HG3 GLN 28 1HG GLN 28 -5.665 -8.010 -0.062 225 HE21 GLN 28 1HE2 GLN 28 -6.883 -11.311 0.426 226 HE22 GLN 28 2HE2 GLN 28 -5.624 -11.803 1.493 227 H SER 29 H SER 29 -9.965 -6.859 0.322 228 HA SER 29 HA SER 29 -12.263 -8.595 -0.211 229 HB2 SER 29 2HB SER 29 -11.973 -6.246 1.702 230 HB3 SER 29 1HB SER 29 -13.287 -7.426 1.682 231 HG SER 29 HG SER 29 -10.566 -7.837 2.335 232 H LYS 30 H LYS 30 -11.040 -6.380 -2.059 233 HA LYS 30 HA LYS 30 -11.575 -4.576 -3.290 234 HB2 LYS 30 2HB LYS 30 -13.540 -4.945 -4.805 235 HB3 LYS 30 1HB LYS 30 -12.457 -6.324 -4.694 236 HG2 LYS 30 2HG LYS 30 -14.028 -7.521 -3.279 237 HG3 LYS 30 1HG LYS 30 -15.077 -6.106 -3.182 238 HD2 LYS 30 2HD LYS 30 -15.487 -6.279 -5.642 239 HD3 LYS 30 1HD LYS 30 -14.497 -7.744 -5.682 240 HE2 LYS 30 2HE LYS 30 -16.072 -8.855 -4.138 241 HE3 LYS 30 1HE LYS 30 -17.048 -7.387 -4.062 242 HZ1 LYS 30 3HZ LYS 30 -17.957 -9.024 -5.573 243 HZ2 LYS 30 1HZ LYS 30 -16.542 -8.989 -6.498 244 HZ3 LYS 30 2HZ LYS 30 -17.519 -7.614 -6.394 245 H ASP 31 H ASP 31 -11.754 -3.491 -1.063 246 HA ASP 31 HA ASP 31 -14.337 -2.087 -0.831 247 HB2 ASP 31 2HB ASP 31 -11.814 -2.016 0.881 248 HB3 ASP 31 1HB ASP 31 -13.158 -0.904 1.112 249 H TYR 32 H TYR 32 -14.621 -0.150 -1.656 250 HA TYR 32 HA TYR 32 -12.370 1.276 -2.948 251 HB2 TYR 32 2HB TYR 32 -15.143 2.074 -3.769 252 HB3 TYR 32 1HB TYR 32 -13.735 1.740 -4.774 253 HD1 TYR 32 2HD TYR 32 -13.045 -0.847 -4.882 254 HD2 TYR 32 1HD TYR 32 -16.964 0.546 -3.900 255 HE1 TYR 32 2HE TYR 32 -13.960 -3.047 -5.401 256 HE2 TYR 32 1HE TYR 32 -17.874 -1.677 -4.417 257 HH TYR 32 HH TYR 32 -16.016 -4.399 -4.647 258 H GLU 33 H GLU 33 -15.639 2.235 -1.886 259 HA GLU 33 HA GLU 33 -14.663 4.677 -0.657 260 HB2 GLU 33 2HB GLU 33 -17.490 3.598 -0.998 261 HB3 GLU 33 1HB GLU 33 -17.091 5.196 -0.371 262 HG2 GLU 33 2HG GLU 33 -16.013 5.755 -2.547 263 HG3 GLU 33 1HG GLU 33 -16.496 4.174 -3.170 264 H SER 34 H SER 34 -14.062 2.077 0.551 265 HA SER 34 HA SER 34 -14.809 2.685 3.339 266 HB2 SER 34 2HB SER 34 -14.341 -0.107 2.201 267 HB3 SER 34 1HB SER 34 -14.779 0.283 3.866 268 HG SER 34 HG SER 34 -16.552 -0.398 2.541 269 H TRP 35 H TRP 35 -12.471 1.662 0.974 270 HA TRP 35 HA TRP 35 -10.256 1.291 2.859 271 HB2 TRP 35 2HB TRP 35 -10.541 -0.344 1.062 272 HB3 TRP 35 1HB TRP 35 -10.554 0.931 -0.143 273 HD1 TRP 35 HD TRP 35 -7.845 0.314 2.635 274 HE1 TRP 35 1HE TRP 35 -5.597 -0.005 1.426 275 HE3 TRP 35 3HE TRP 35 -9.503 0.640 -2.164 276 HZ2 TRP 35 2HZ TRP 35 -4.669 -0.126 -1.232 277 HZ3 TRP 35 3HZ TRP 35 -7.883 0.390 -4.007 278 HH2 TRP 35 HH TRP 35 -5.514 0.026 -3.542 279 H LYS 36 H LYS 36 -11.638 3.568 0.698 280 HA LYS 36 HA LYS 36 -9.511 5.235 0.092 281 HB2 LYS 36 2HB LYS 36 -11.300 6.976 -0.187 282 HB3 LYS 36 1HB LYS 36 -11.578 5.509 -1.024 283 HG2 LYS 36 2HG LYS 36 -13.660 6.065 -0.243 284 HG3 LYS 36 1HG LYS 36 -13.108 4.881 0.925 285 HD2 LYS 36 2HD LYS 36 -13.356 6.337 2.652 286 HD3 LYS 36 1HD LYS 36 -12.449 7.593 1.828 287 HE2 LYS 36 2HE LYS 36 -14.525 8.201 0.569 288 HE3 LYS 36 1HE LYS 36 -15.408 7.000 1.518 289 HZ1 LYS 36 3HZ LYS 36 -15.707 9.153 2.462 290 HZ2 LYS 36 1HZ LYS 36 -14.036 9.420 2.551 291 HZ3 LYS 36 2HZ LYS 36 -14.759 8.237 3.521 292 H SER 37 H SER 37 -11.295 4.834 3.055 293 HA SER 37 HA SER 37 -10.711 7.065 4.587 294 HB2 SER 37 2HB SER 37 -10.673 4.188 5.598 295 HB3 SER 37 1HB SER 37 -11.103 5.639 6.513 296 HG SER 37 HG SER 37 -12.752 4.105 5.310 297 H ARG 38 H ARG 38 -8.557 4.513 3.554 298 HA ARG 38 HA ARG 38 -6.339 5.221 5.269 299 HB2 ARG 38 2HB ARG 38 -6.487 3.435 2.802 300 HB3 ARG 38 1HB ARG 38 -5.048 3.624 3.807 301 HG2 ARG 38 2HG ARG 38 -7.718 2.447 4.689 302 HG3 ARG 38 1HG ARG 38 -6.228 1.549 4.374 303 HD2 ARG 38 2HD ARG 38 -5.116 2.769 6.233 304 HD3 ARG 38 1HD ARG 38 -6.628 3.625 6.565 305 HE ARG 38 HE ARG 38 -7.245 0.939 6.676 306 HH11 ARG 38 1HH1 ARG 38 -5.051 3.063 8.438 307 HH12 ARG 38 2HH1 ARG 38 -5.127 2.125 9.892 308 HH21 ARG 38 1HH2 ARG 38 -7.325 -0.274 8.590 309 HH22 ARG 38 2HH2 ARG 38 -6.418 0.229 9.977 310 H PHE 39 H PHE 39 -7.257 5.653 1.846 311 HA PHE 39 HA PHE 39 -5.040 7.152 0.938 312 HB2 PHE 39 2HB PHE 39 -7.919 7.020 -0.026 313 HB3 PHE 39 1HB PHE 39 -6.703 7.953 -0.883 314 HD1 PHE 39 1HD PHE 39 -4.437 6.428 -1.207 315 HD2 PHE 39 2HD PHE 39 -8.436 5.009 -1.088 316 HE1 PHE 39 1HE PHE 39 -3.746 4.467 -2.494 317 HE2 PHE 39 2HE PHE 39 -7.768 3.040 -2.395 318 HZ PHE 39 HZ PHE 39 -5.424 2.761 -3.104 319 H THR 40 H THR 40 -5.325 9.360 -0.059 320 HA THR 40 HA THR 40 -5.857 11.362 1.898 321 HB THR 40 HB THR 40 -5.009 12.940 0.416 322 HG1 THR 40 1HG THR 40 -5.348 12.852 -1.877 323 HG21 THR 40 3HG2 THR 40 -3.293 12.043 -1.077 324 HG22 THR 40 1HG2 THR 40 -4.049 10.446 -1.012 325 HG23 THR 40 2HG2 THR 40 -3.312 11.137 0.437 326 H LYS 41 H LYS 41 -7.435 13.007 1.732 327 HA LYS 41 HA LYS 41 -10.088 12.122 1.389 328 HB2 LYS 41 2HB LYS 41 -8.755 14.717 2.047 329 HB3 LYS 41 1HB LYS 41 -10.439 14.771 1.584 330 HG2 LYS 41 2HG LYS 41 -10.230 14.646 4.028 331 HG3 LYS 41 1HG LYS 41 -10.999 13.190 3.413 332 HD2 LYS 41 2HD LYS 41 -8.791 12.008 3.607 333 HD3 LYS 41 1HD LYS 41 -8.092 13.485 4.279 334 HE2 LYS 41 2HE LYS 41 -10.337 11.852 5.513 335 HE3 LYS 41 1HE LYS 41 -8.668 11.904 6.049 336 HZ1 LYS 41 3HZ LYS 41 -10.066 13.292 7.424 337 HZ2 LYS 41 1HZ LYS 41 -10.541 14.198 6.074 338 HZ3 LYS 41 2HZ LYS 41 -8.933 14.237 6.593 339 H ASP 42 H ASP 42 -7.900 13.746 -0.722 340 HA ASP 42 HA ASP 42 -9.657 14.609 -2.764 341 HB2 ASP 42 2HB ASP 42 -6.718 13.970 -2.573 342 HB3 ASP 42 1HB ASP 42 -7.424 14.511 -4.093 343 H LEU 43 H LEU 43 -7.694 11.584 -2.333 344 HA LEU 43 HA LEU 43 -8.601 10.342 -4.726 345 HB2 LEU 43 2HB LEU 43 -7.212 9.278 -2.251 346 HB3 LEU 43 1HB LEU 43 -7.817 8.166 -3.458 347 HG LEU 43 HG LEU 43 -6.379 9.288 -5.183 348 HD11 LEU 43 1HD1 LEU 43 -5.144 10.819 -2.904 349 HD12 LEU 43 2HD1 LEU 43 -6.125 11.494 -4.205 350 HD13 LEU 43 3HD1 LEU 43 -4.561 10.771 -4.571 351 HD21 LEU 43 3HD2 LEU 43 -4.253 8.305 -4.495 352 HD22 LEU 43 1HD2 LEU 43 -5.607 7.243 -4.109 353 HD23 LEU 43 2HD2 LEU 43 -4.835 8.185 -2.830 354 H GLN 44 H GLN 44 -9.882 10.545 -1.455 355 HA GLN 44 HA GLN 44 -11.726 8.444 -1.465 356 HB2 GLN 44 2HB GLN 44 -11.869 11.113 -0.050 357 HB3 GLN 44 1HB GLN 44 -12.930 9.741 0.294 358 HG2 GLN 44 2HG GLN 44 -10.924 8.370 0.783 359 HG3 GLN 44 1HG GLN 44 -9.929 9.795 0.553 360 HE21 GLN 44 1HE2 GLN 44 -9.159 9.340 2.600 361 HE22 GLN 44 2HE2 GLN 44 -10.029 9.829 3.999 362 H SER 45 H SER 45 -11.892 11.595 -2.951 363 HA SER 45 HA SER 45 -14.706 11.296 -3.748 364 HB2 SER 45 2HB SER 45 -12.837 13.653 -4.065 365 HB3 SER 45 1HB SER 45 -14.574 13.660 -4.371 366 HG SER 45 HG SER 45 -14.651 12.904 -2.048 367 H SER 46 H SER 46 -11.571 10.746 -4.955 368 HA SER 46 HA SER 46 -12.444 10.737 -7.777 369 HB2 SER 46 2HB SER 46 -9.846 11.964 -6.751 370 HB3 SER 46 1HB SER 46 -10.337 11.853 -8.444 371 HG SER 46 HG SER 46 -12.330 13.015 -7.287 372 H LEU 47 H LEU 47 -12.238 8.467 -6.072 373 HA LEU 47 HA LEU 47 -9.833 7.044 -6.377 374 HB2 LEU 47 2HB LEU 47 -12.654 6.106 -5.937 375 HB3 LEU 47 1HB LEU 47 -11.368 4.946 -6.237 376 HG LEU 47 HG LEU 47 -11.650 6.816 -3.862 377 HD11 LEU 47 1HD1 LEU 47 -12.883 4.746 -3.741 378 HD12 LEU 47 2HD1 LEU 47 -11.540 4.742 -2.596 379 HD13 LEU 47 3HD1 LEU 47 -11.415 3.838 -4.111 380 HD21 LEU 47 3HD2 LEU 47 -9.211 5.126 -4.536 381 HD22 LEU 47 1HD2 LEU 47 -9.497 5.982 -3.014 382 HD23 LEU 47 2HD2 LEU 47 -9.279 6.890 -4.508 383 H THR 48 H THR 48 -9.073 5.677 -7.837 384 HA THR 48 HA THR 48 -10.122 5.838 -10.565 385 HB THR 48 HB THR 48 -7.823 4.608 -11.002 386 HG1 THR 48 1HG THR 48 -6.364 4.718 -9.386 387 HG21 THR 48 3HG2 THR 48 -8.256 6.940 -11.709 388 HG22 THR 48 1HG2 THR 48 -6.610 6.764 -11.086 389 HG23 THR 48 2HG2 THR 48 -7.856 7.516 -10.090 390 H GLU 49 H GLU 49 -11.577 4.382 -10.973 391 HA GLU 49 HA GLU 49 -12.187 2.112 -9.479 392 HB2 GLU 49 2HB GLU 49 -12.955 2.857 -12.302 393 HB3 GLU 49 1HB GLU 49 -13.713 1.572 -11.389 394 HG2 GLU 49 2HG GLU 49 -14.720 3.074 -9.868 395 HG3 GLU 49 1HG GLU 49 -13.674 4.401 -10.361 396 H GLU 50 H GLU 50 -10.148 2.524 -12.304 397 HA GLU 50 HA GLU 50 -10.021 -0.237 -13.034 398 HB2 GLU 50 2HB GLU 50 -9.690 1.721 -14.574 399 HB3 GLU 50 1HB GLU 50 -8.176 2.070 -13.754 400 HG2 GLU 50 2HG GLU 50 -7.339 -0.170 -14.433 401 HG3 GLU 50 1HG GLU 50 -8.838 -0.419 -15.324 402 H SER 51 H SER 51 -8.125 1.929 -10.967 403 HA SER 51 HA SER 51 -5.825 0.298 -10.643 404 HB2 SER 51 2HB SER 51 -6.926 2.453 -8.798 405 HB3 SER 51 1HB SER 51 -5.310 1.752 -8.686 406 HG SER 51 HG SER 51 -5.283 2.460 -11.067 407 H TYR 52 H TYR 52 -9.005 0.147 -9.095 408 HA TYR 52 HA TYR 52 -8.029 -1.899 -7.229 409 HB2 TYR 52 2HB TYR 52 -10.094 -1.839 -6.084 410 HB3 TYR 52 1HB TYR 52 -9.777 -0.170 -6.482 411 HD1 TYR 52 1HD TYR 52 -11.802 -3.144 -7.594 412 HD2 TYR 52 2HD TYR 52 -11.553 1.143 -7.537 413 HE1 TYR 52 1HE TYR 52 -14.093 -2.988 -8.440 414 HE2 TYR 52 2HE TYR 52 -13.844 1.265 -8.362 415 HH TYR 52 HH TYR 52 -15.418 -0.156 -9.674 416 H ASP 53 H ASP 53 -9.926 -1.576 -10.195 417 HA ASP 53 HA ASP 53 -11.228 -4.131 -10.012 418 HB2 ASP 53 2HB ASP 53 -12.152 -2.021 -11.102 419 HB3 ASP 53 1HB ASP 53 -11.059 -2.305 -12.446 420 H SER 54 H SER 54 -8.843 -2.775 -12.293 421 HA SER 54 HA SER 54 -8.176 -5.093 -13.687 422 HB2 SER 54 2HB SER 54 -7.458 -2.828 -14.405 423 HB3 SER 54 1HB SER 54 -6.375 -2.725 -13.020 424 HG SER 54 HG SER 54 -5.097 -4.273 -13.897 425 H TYR 55 H TYR 55 -6.773 -3.687 -10.731 426 HA TYR 55 HA TYR 55 -4.728 -5.454 -10.136 427 HB2 TYR 55 2HB TYR 55 -4.690 -3.644 -8.682 428 HB3 TYR 55 1HB TYR 55 -6.438 -3.537 -8.594 429 HD1 TYR 55 2HD TYR 55 -3.537 -5.538 -7.289 430 HD2 TYR 55 1HD TYR 55 -7.582 -4.295 -6.646 431 HE1 TYR 55 2HE TYR 55 -3.512 -6.559 -5.064 432 HE2 TYR 55 1HE TYR 55 -7.549 -5.321 -4.426 433 HH TYR 55 HH TYR 55 -4.667 -6.436 -2.948 434 H LEU 56 H LEU 56 -8.210 -5.814 -9.440 435 HA LEU 56 HA LEU 56 -8.086 -8.102 -7.824 436 HB2 LEU 56 2HB LEU 56 -10.315 -7.154 -9.658 437 HB3 LEU 56 1HB LEU 56 -10.500 -8.478 -8.519 438 HG LEU 56 HG LEU 56 -9.912 -5.596 -7.752 439 HD11 LEU 56 1HD1 LEU 56 -12.508 -7.129 -7.523 440 HD12 LEU 56 2HD1 LEU 56 -12.163 -5.817 -8.654 441 HD13 LEU 56 3HD1 LEU 56 -12.197 -5.495 -6.924 442 HD21 LEU 56 3HD2 LEU 56 -10.520 -7.990 -5.979 443 HD22 LEU 56 1HD2 LEU 56 -10.356 -6.315 -5.430 444 HD23 LEU 56 2HD2 LEU 56 -8.969 -7.158 -6.112 445 H LYS 57 H LYS 57 -8.154 -7.743 -11.331 446 HA LYS 57 HA LYS 57 -8.663 -10.408 -12.062 447 HB2 LYS 57 2HB LYS 57 -7.125 -8.311 -13.600 448 HB3 LYS 57 1HB LYS 57 -7.852 -9.758 -14.271 449 HG2 LYS 57 2HG LYS 57 -9.643 -7.852 -12.801 450 HG3 LYS 57 1HG LYS 57 -9.070 -7.397 -14.385 451 HD2 LYS 57 2HD LYS 57 -11.259 -8.386 -14.616 452 HD3 LYS 57 1HD LYS 57 -10.078 -9.461 -15.341 453 HE2 LYS 57 2HE LYS 57 -10.892 -9.993 -12.500 454 HE3 LYS 57 1HE LYS 57 -12.036 -10.384 -13.781 455 HZ1 LYS 57 3HZ LYS 57 -9.267 -11.407 -13.527 456 HZ2 LYS 57 1HZ LYS 57 -10.339 -11.787 -14.770 457 HZ3 LYS 57 2HZ LYS 57 -10.685 -12.264 -13.184 458 H ILE 58 H ILE 58 -5.648 -8.716 -11.309 459 HA ILE 58 HA ILE 58 -3.903 -10.912 -11.943 460 HB ILE 58 HB ILE 58 -3.335 -8.528 -10.107 461 HG12 ILE 58 2HG1 ILE 58 -1.786 -7.841 -12.071 462 HG13 ILE 58 1HG1 ILE 58 -2.675 -8.999 -13.047 463 HG21 ILE 58 1HG2 ILE 58 -1.380 -10.613 -11.167 464 HG22 ILE 58 2HG2 ILE 58 -1.881 -10.405 -9.489 465 HG23 ILE 58 3HG2 ILE 58 -0.927 -9.152 -10.281 466 HD11 ILE 58 3HD1 ILE 58 -3.822 -6.590 -11.660 467 HD12 ILE 58 1HD1 ILE 58 -4.719 -7.739 -12.657 468 HD13 ILE 58 2HD1 ILE 58 -3.453 -6.743 -13.381 469 H LEU 59 H LEU 59 -5.390 -9.614 -9.021 470 HA LEU 59 HA LEU 59 -4.304 -11.151 -6.993 471 HB2 LEU 59 2HB LEU 59 -6.023 -9.192 -6.964 472 HB3 LEU 59 1HB LEU 59 -7.225 -10.430 -7.021 473 HG LEU 59 HG LEU 59 -6.291 -11.400 -4.895 474 HD11 LEU 59 1HD1 LEU 59 -4.620 -8.870 -4.840 475 HD12 LEU 59 2HD1 LEU 59 -4.020 -10.519 -5.033 476 HD13 LEU 59 3HD1 LEU 59 -4.780 -10.034 -3.520 477 HD21 LEU 59 3HD2 LEU 59 -7.297 -9.732 -3.415 478 HD22 LEU 59 1HD2 LEU 59 -8.268 -9.941 -4.870 479 HD23 LEU 59 2HD2 LEU 59 -7.232 -8.523 -4.700 480 H GLU 60 H GLU 60 -6.950 -11.868 -9.144 481 HA GLU 60 HA GLU 60 -8.076 -14.069 -7.897 482 HB2 GLU 60 2HB GLU 60 -8.144 -12.860 -10.652 483 HB3 GLU 60 1HB GLU 60 -8.968 -14.360 -10.366 484 HG2 GLU 60 2HG GLU 60 -10.373 -13.375 -8.684 485 HG3 GLU 60 1HG GLU 60 -9.464 -11.873 -8.799 486 H LYS 61 H LYS 61 -5.217 -13.861 -9.827 487 HA LYS 61 HA LYS 61 -5.128 -16.792 -10.261 488 HB2 LYS 61 2HB LYS 61 -3.606 -16.370 -12.146 489 HB3 LYS 61 1HB LYS 61 -5.162 -15.575 -12.373 490 HG2 LYS 61 2HG LYS 61 -4.109 -13.456 -11.550 491 HG3 LYS 61 1HG LYS 61 -2.557 -14.287 -11.536 492 HD2 LYS 61 2HD LYS 61 -2.760 -12.970 -13.580 493 HD3 LYS 61 1HD LYS 61 -2.786 -14.687 -13.989 494 HE2 LYS 61 2HE LYS 61 -5.312 -14.545 -14.075 495 HE3 LYS 61 1HE LYS 61 -5.163 -12.800 -13.851 496 HZ1 LYS 61 3HZ LYS 61 -3.949 -14.325 -16.079 497 HZ2 LYS 61 1HZ LYS 61 -3.955 -12.644 -15.892 498 HZ3 LYS 61 2HZ LYS 61 -5.403 -13.473 -16.179 499 H GLN 62 H GLN 62 -4.064 -14.517 -8.213 500 HA GLN 62 HA GLN 62 -1.342 -15.389 -7.829 501 HB2 GLN 62 2HB GLN 62 -3.147 -13.776 -5.995 502 HB3 GLN 62 1HB GLN 62 -1.433 -13.975 -5.810 503 HG2 GLN 62 2HG GLN 62 -2.844 -12.500 -7.990 504 HG3 GLN 62 1HG GLN 62 -1.916 -11.786 -6.690 505 HE21 GLN 62 1HE2 GLN 62 -1.807 -13.455 -9.719 506 HE22 GLN 62 2HE2 GLN 62 -0.134 -13.234 -10.020 507 H GLY 63 H GLY 63 -4.517 -16.419 -6.764 508 HA2 GLY 63 2HA GLY 63 -4.888 -18.475 -5.522 509 HA3 GLY 63 1HA GLY 63 -3.300 -18.280 -4.818 510 H GLU 64 H GLU 64 -4.797 -18.737 -2.874 511 HA GLU 64 HA GLU 64 -6.004 -16.326 -1.714 512 HB2 GLU 64 2HB GLU 64 -5.721 -19.181 -0.792 513 HB3 GLU 64 1HB GLU 64 -6.274 -17.936 0.319 514 HG2 GLU 64 2HG GLU 64 -8.220 -17.505 -1.007 515 HG3 GLU 64 1HG GLU 64 -7.617 -18.514 -2.308 516 H PHE 65 H PHE 65 -5.296 -15.356 0.110 517 HA PHE 65 HA PHE 65 -2.452 -15.041 0.353 518 HB2 PHE 65 2HB PHE 65 -3.468 -12.984 0.728 519 HB3 PHE 65 1HB PHE 65 -4.824 -13.693 1.603 520 HD1 PHE 65 2HD PHE 65 -1.100 -13.260 2.042 521 HD2 PHE 65 1HD PHE 65 -4.945 -13.196 3.906 522 HE1 PHE 65 2HE PHE 65 -0.068 -12.581 4.156 523 HE2 PHE 65 1HE PHE 65 -3.897 -12.528 6.024 524 HZ PHE 65 HZ PHE 65 -1.459 -12.222 6.154 525 H LYS 66 H LYS 66 -1.117 -16.102 1.647 526 HA LYS 66 HA LYS 66 -2.135 -17.640 3.966 527 HB2 LYS 66 2HB LYS 66 0.058 -18.398 1.981 528 HB3 LYS 66 1HB LYS 66 -0.286 -19.289 3.462 529 HG2 LYS 66 2HG LYS 66 -2.123 -18.980 1.055 530 HG3 LYS 66 1HG LYS 66 -1.274 -20.444 1.574 531 HD2 LYS 66 2HD LYS 66 -2.625 -20.142 3.814 532 HD3 LYS 66 1HD LYS 66 -3.637 -19.059 2.855 533 HE2 LYS 66 2HE LYS 66 -3.107 -21.972 2.190 534 HE3 LYS 66 1HE LYS 66 -4.541 -21.371 3.022 535 HZ1 LYS 66 3HZ LYS 66 -5.120 -20.098 1.079 536 HZ2 LYS 66 1HZ LYS 66 -4.919 -21.720 0.662 537 HZ3 LYS 66 2HZ LYS 66 -3.709 -20.604 0.278 538 H GLU 67 H GLU 67 0.344 -15.560 2.641 539 HA GLU 67 HA GLU 67 1.726 -15.227 5.186 540 HB2 GLU 67 2HB GLU 67 2.584 -17.362 4.224 541 HB3 GLU 67 1HB GLU 67 2.950 -16.542 2.715 542 HG2 GLU 67 2HG GLU 67 4.972 -16.899 3.890 543 HG3 GLU 67 1HG GLU 67 4.645 -15.178 3.894 544 H PHE 68 H PHE 68 3.126 -13.362 5.155 545 HA PHE 68 HA PHE 68 3.145 -11.698 2.707 546 HB2 PHE 68 2HB PHE 68 3.626 -11.022 5.629 547 HB3 PHE 68 1HB PHE 68 4.148 -9.933 4.350 548 HD1 PHE 68 1HD PHE 68 2.201 -9.525 2.482 549 HD2 PHE 68 2HD PHE 68 1.514 -10.483 6.606 550 HE1 PHE 68 1HE PHE 68 -0.034 -8.546 2.335 551 HE2 PHE 68 2HE PHE 68 -0.729 -9.485 6.434 552 HZ PHE 68 HZ PHE 68 -1.508 -8.518 4.309 553 H GLY 69 H GLY 69 5.430 -10.332 2.796 554 HA2 GLY 69 2HA GLY 69 7.638 -12.284 2.872 555 HA3 GLY 69 1HA GLY 69 7.173 -11.609 1.326 556 H LYS 70 H LYS 70 9.101 -10.673 0.982 557 HA LYS 70 HA LYS 70 10.664 -9.112 2.691 558 HB2 LYS 70 2HB LYS 70 11.473 -10.077 0.563 559 HB3 LYS 70 1HB LYS 70 10.403 -9.012 -0.344 560 HG2 LYS 70 2HG LYS 70 11.691 -7.053 0.694 561 HG3 LYS 70 1HG LYS 70 12.847 -8.245 1.298 562 HD2 LYS 70 2HD LYS 70 13.310 -8.955 -1.027 563 HD3 LYS 70 1HD LYS 70 12.148 -7.763 -1.618 564 HE2 LYS 70 2HE LYS 70 13.541 -5.952 -0.658 565 HE3 LYS 70 1HE LYS 70 14.709 -7.154 -0.102 566 HZ1 LYS 70 3HZ LYS 70 15.083 -7.777 -2.398 567 HZ2 LYS 70 1HZ LYS 70 15.413 -6.135 -2.151 568 HZ3 LYS 70 2HZ LYS 70 13.979 -6.607 -2.917 569 H CYS 71 H CYS 71 10.768 -6.933 3.091 570 HA CYS 71 HA CYS 71 8.794 -5.138 1.853 571 HB2 CYS 71 2HB CYS 71 9.309 -5.062 4.810 572 HB3 CYS 71 1HB CYS 71 8.047 -4.264 3.913 573 HG CYS 71 HG CYS 71 7.325 -7.202 3.216 574 H THR 72 H THR 72 10.326 -4.115 0.717 575 HA THR 72 HA THR 72 12.656 -2.820 1.765 576 HB THR 72 HB THR 72 10.948 -2.121 -0.670 577 HG1 THR 72 1HG THR 72 13.247 -3.781 -0.381 578 HG21 THR 72 3HG2 THR 72 12.957 -0.981 -1.564 579 HG22 THR 72 1HG2 THR 72 13.821 -1.315 -0.055 580 HG23 THR 72 2HG2 THR 72 12.425 -0.232 -0.061 581 H TYR 73 H TYR 73 12.766 -0.633 2.562 582 HA TYR 73 HA TYR 73 10.214 0.773 2.935 583 HB2 TYR 73 2HB TYR 73 12.600 0.977 4.801 584 HB3 TYR 73 1HB TYR 73 11.080 1.778 4.928 585 HD1 TYR 73 2HD TYR 73 8.961 0.479 5.286 586 HD2 TYR 73 1HD TYR 73 12.837 -1.263 5.718 587 HE1 TYR 73 2HE TYR 73 7.982 -1.349 6.604 588 HE2 TYR 73 1HE TYR 73 11.882 -3.091 7.023 589 HH TYR 73 HH TYR 73 9.845 -3.512 8.419 590 H LEU 74 H LEU 74 10.232 2.939 2.566 591 HA LEU 74 HA LEU 74 12.548 4.156 1.306 592 HB2 LEU 74 2HB LEU 74 11.223 4.596 -0.834 593 HB3 LEU 74 1HB LEU 74 11.946 3.047 -0.599 594 HG LEU 74 HG LEU 74 8.971 3.543 -0.237 595 HD11 LEU 74 1HD1 LEU 74 8.681 2.518 -2.422 596 HD12 LEU 74 2HD1 LEU 74 10.436 2.378 -2.596 597 HD13 LEU 74 3HD1 LEU 74 9.673 3.975 -2.546 598 HD21 LEU 74 3HD2 LEU 74 9.716 1.515 0.935 599 HD22 LEU 74 1HD2 LEU 74 10.500 0.923 -0.534 600 HD23 LEU 74 2HD2 LEU 74 8.741 1.087 -0.463 601 H GLY 75 H GLY 75 12.151 6.269 0.529 602 HA2 GLY 75 2HA GLY 75 10.336 7.730 2.382 603 HA3 GLY 75 1HA GLY 75 11.947 8.282 1.892 604 H GLN 76 H GLN 76 9.692 9.855 1.621 605 HA GLN 76 HA GLN 76 9.940 10.558 -1.186 606 HB2 GLN 76 2HB GLN 76 7.104 10.369 -0.073 607 HB3 GLN 76 1HB GLN 76 7.577 10.791 -1.708 608 HG2 GLN 76 2HG GLN 76 8.242 8.446 -2.098 609 HG3 GLN 76 1HG GLN 76 7.773 8.045 -0.444 610 HE21 GLN 76 1HE2 GLN 76 5.576 7.954 0.092 611 HE22 GLN 76 2HE2 GLN 76 4.330 7.888 -1.109 612 H ILE 77 H ILE 77 9.636 12.749 -1.463 613 HA ILE 77 HA ILE 77 8.048 14.283 0.469 614 HB ILE 77 HB ILE 77 10.660 15.380 -0.708 615 HG12 ILE 77 2HG1 ILE 77 11.115 15.699 1.941 616 HG13 ILE 77 1HG1 ILE 77 10.032 14.328 2.065 617 HG21 ILE 77 1HG2 ILE 77 10.186 17.430 0.591 618 HG22 ILE 77 2HG2 ILE 77 8.660 16.730 1.134 619 HG23 ILE 77 3HG2 ILE 77 8.903 17.092 -0.577 620 HD11 ILE 77 3HD1 ILE 77 11.556 13.027 0.634 621 HD12 ILE 77 1HD1 ILE 77 12.318 13.615 2.118 622 HD13 ILE 77 2HD1 ILE 77 12.649 14.417 0.582 623 H LYS 78 H LYS 78 6.571 15.472 -0.585 624 HA LYS 78 HA LYS 78 6.282 15.124 -3.464 625 HB2 LYS 78 2HB LYS 78 4.470 14.759 -1.715 626 HB3 LYS 78 1HB LYS 78 4.420 16.500 -1.501 627 HG2 LYS 78 2HG LYS 78 3.720 16.731 -3.872 628 HG3 LYS 78 1HG LYS 78 3.749 14.971 -4.019 629 HD2 LYS 78 2HD LYS 78 1.457 15.671 -3.637 630 HD3 LYS 78 1HD LYS 78 2.035 14.807 -2.212 631 HE2 LYS 78 2HE LYS 78 0.867 16.685 -1.341 632 HE3 LYS 78 1HE LYS 78 2.572 17.155 -1.228 633 HZ1 LYS 78 3HZ LYS 78 1.247 18.935 -2.108 634 HZ2 LYS 78 1HZ LYS 78 0.667 17.957 -3.356 635 HZ3 LYS 78 2HZ LYS 78 2.307 18.378 -3.298 636 H ASP 79 H ASP 79 5.494 17.951 -1.482 637 HA ASP 79 HA ASP 79 7.149 19.731 -3.183 638 HB2 ASP 79 2HB ASP 79 4.419 20.250 -1.917 639 HB3 ASP 79 1HB ASP 79 5.429 21.518 -2.568 640 H ASN 80 H ASN 80 5.387 19.620 -0.100 641 HA ASN 80 HA ASN 80 7.784 20.335 1.424 642 HB2 ASN 80 2HB ASN 80 5.110 21.738 1.650 643 HB3 ASN 80 1HB ASN 80 6.385 21.906 2.829 644 HD21 ASN 80 1HD2 ASN 80 8.320 23.023 2.190 645 HD22 ASN 80 2HD2 ASN 80 8.290 24.119 0.857 646 H LYS 81 H LYS 81 5.438 18.153 0.906 647 HA LYS 81 HA LYS 81 5.087 17.377 3.741 648 HB2 LYS 81 2HB LYS 81 3.528 16.659 1.234 649 HB3 LYS 81 1HB LYS 81 3.241 15.911 2.791 650 HG2 LYS 81 2HG LYS 81 2.910 18.848 2.112 651 HG3 LYS 81 1HG LYS 81 1.613 17.683 2.355 652 HD2 LYS 81 2HD LYS 81 3.504 17.969 4.659 653 HD3 LYS 81 1HD LYS 81 2.559 19.396 4.299 654 HE2 LYS 81 2HE LYS 81 1.386 18.110 5.963 655 HE3 LYS 81 1HE LYS 81 0.481 18.004 4.456 656 HZ1 LYS 81 3HZ LYS 81 1.605 15.829 4.093 657 HZ2 LYS 81 1HZ LYS 81 0.558 15.869 5.419 658 HZ3 LYS 81 2HZ LYS 81 2.225 15.949 5.656 659 H LYS 82 H LYS 82 5.564 15.281 4.382 660 HA LYS 82 HA LYS 82 7.472 13.794 2.650 661 HB2 LYS 82 2HB LYS 82 7.417 13.894 5.691 662 HB3 LYS 82 1HB LYS 82 8.625 13.080 4.696 663 HG2 LYS 82 2HG LYS 82 9.378 15.242 3.811 664 HG3 LYS 82 1HG LYS 82 8.120 16.074 4.730 665 HD2 LYS 82 2HD LYS 82 9.206 15.142 6.842 666 HD3 LYS 82 1HD LYS 82 10.541 14.596 5.819 667 HE2 LYS 82 2HE LYS 82 11.070 16.879 5.199 668 HE3 LYS 82 1HE LYS 82 9.631 17.487 6.017 669 HZ1 LYS 82 3HZ LYS 82 11.561 17.859 7.352 670 HZ2 LYS 82 1HZ LYS 82 11.980 16.220 7.307 671 HZ3 LYS 82 2HZ LYS 82 10.576 16.713 8.112 672 H TYR 83 H TYR 83 7.370 11.572 2.568 673 HA TYR 83 HA TYR 83 4.949 10.223 3.615 674 HB2 TYR 83 2HB TYR 83 5.822 10.187 0.693 675 HB3 TYR 83 1HB TYR 83 4.454 9.325 1.367 676 HD1 TYR 83 2HD TYR 83 5.719 12.703 0.415 677 HD2 TYR 83 1HD TYR 83 2.368 10.468 1.794 678 HE1 TYR 83 2HE TYR 83 4.246 14.633 0.023 679 HE2 TYR 83 1HE TYR 83 0.930 12.371 1.401 680 HH TYR 83 HH TYR 83 1.062 14.785 1.218 681 H GLY 84 H GLY 84 5.208 8.085 4.055 682 HA2 GLY 84 2HA GLY 84 7.940 6.941 3.856 683 HA3 GLY 84 1HA GLY 84 6.796 6.636 5.157 684 H GLY 85 H GLY 85 8.182 4.898 3.058 685 HA2 GLY 85 2HA GLY 85 5.834 3.692 1.725 686 HA3 GLY 85 1HA GLY 85 7.402 3.907 0.953 687 H VAL 86 H VAL 86 6.125 1.511 1.078 688 HA VAL 86 HA VAL 86 8.137 -0.173 2.194 689 HB VAL 86 HB VAL 86 6.867 -0.003 4.210 690 HG11 VAL 86 1HG1 VAL 86 4.452 -0.470 4.406 691 HG12 VAL 86 2HG1 VAL 86 4.342 -0.667 2.655 692 HG13 VAL 86 3HG1 VAL 86 4.758 0.905 3.344 693 HG21 VAL 86 3HG2 VAL 86 6.114 -2.315 4.617 694 HG22 VAL 86 1HG2 VAL 86 7.637 -2.271 3.724 695 HG23 VAL 86 2HG2 VAL 86 6.128 -2.626 2.879 696 H ILE 87 H ILE 87 8.536 -1.371 0.465 697 HA ILE 87 HA ILE 87 6.417 -2.256 -1.370 698 HB ILE 87 HB ILE 87 9.436 -2.684 -1.529 699 HG12 ILE 87 2HG1 ILE 87 7.707 -0.919 -3.322 700 HG13 ILE 87 1HG1 ILE 87 8.533 -0.291 -1.913 701 HG21 ILE 87 1HG2 ILE 87 8.226 -4.537 -2.625 702 HG22 ILE 87 2HG2 ILE 87 9.012 -3.525 -3.837 703 HG23 ILE 87 3HG2 ILE 87 7.274 -3.383 -3.561 704 HD11 ILE 87 3HD1 ILE 87 10.692 -0.930 -2.922 705 HD12 ILE 87 1HD1 ILE 87 9.776 0.188 -3.933 706 HD13 ILE 87 2HD1 ILE 87 9.827 -1.525 -4.342 707 H ILE 88 H ILE 88 5.323 -3.564 0.052 708 HA ILE 88 HA ILE 88 6.732 -5.777 1.370 709 HB ILE 88 HB ILE 88 5.440 -4.527 2.933 710 HG12 ILE 88 2HG1 ILE 88 3.825 -7.045 2.299 711 HG13 ILE 88 1HG1 ILE 88 5.354 -7.028 3.168 712 HG21 ILE 88 1HG2 ILE 88 2.998 -4.830 1.156 713 HG22 ILE 88 2HG2 ILE 88 3.931 -3.349 1.400 714 HG23 ILE 88 3HG2 ILE 88 3.038 -4.061 2.745 715 HD11 ILE 88 3HD1 ILE 88 3.510 -7.255 4.683 716 HD12 ILE 88 1HD1 ILE 88 2.778 -5.770 4.076 717 HD13 ILE 88 2HD1 ILE 88 4.314 -5.708 4.948 718 H VAL 89 H VAL 89 6.692 -7.655 0.513 719 HA VAL 89 HA VAL 89 5.092 -8.524 -1.662 720 HB VAL 89 HB VAL 89 7.243 -9.799 0.100 721 HG11 VAL 89 1HG1 VAL 89 7.312 -11.700 -1.448 722 HG12 VAL 89 2HG1 VAL 89 5.891 -11.055 -2.291 723 HG13 VAL 89 3HG1 VAL 89 5.759 -11.596 -0.614 724 HG21 VAL 89 3HG2 VAL 89 8.630 -9.688 -1.887 725 HG22 VAL 89 1HG2 VAL 89 7.975 -8.084 -1.532 726 HG23 VAL 89 2HG2 VAL 89 7.266 -9.066 -2.830 727 H VAL 90 H VAL 90 3.698 -10.281 -1.589 728 HA VAL 90 HA VAL 90 2.912 -11.408 0.992 729 HB VAL 90 HB VAL 90 1.236 -9.722 0.707 730 HG11 VAL 90 1HG1 VAL 90 -0.173 -9.481 -1.215 731 HG12 VAL 90 2HG1 VAL 90 0.818 -10.671 -2.067 732 HG13 VAL 90 3HG1 VAL 90 1.528 -9.140 -1.542 733 HG21 VAL 90 3HG2 VAL 90 -0.854 -11.000 0.603 734 HG22 VAL 90 1HG2 VAL 90 0.374 -11.887 1.510 735 HG23 VAL 90 2HG2 VAL 90 0.003 -12.345 -0.153 736 H LYS 91 H LYS 91 3.200 -13.471 0.822 737 HA LYS 91 HA LYS 91 3.290 -14.856 -1.720 738 HB2 LYS 91 2HB LYS 91 3.666 -15.950 1.093 739 HB3 LYS 91 1HB LYS 91 4.128 -16.735 -0.414 740 HG2 LYS 91 2HG LYS 91 5.862 -15.055 -0.807 741 HG3 LYS 91 1HG LYS 91 5.337 -14.143 0.616 742 HD2 LYS 91 2HD LYS 91 5.904 -16.169 2.024 743 HD3 LYS 91 1HD LYS 91 6.594 -16.919 0.581 744 HE2 LYS 91 2HE LYS 91 8.254 -15.121 0.424 745 HE3 LYS 91 1HE LYS 91 7.522 -14.298 1.804 746 HZ1 LYS 91 3HZ LYS 91 8.797 -16.978 1.869 747 HZ2 LYS 91 1HZ LYS 91 8.099 -16.179 3.187 748 HZ3 LYS 91 2HZ LYS 91 9.476 -15.537 2.446 749 H TYR 92 H TYR 92 1.134 -14.770 -2.390 750 HA TYR 92 HA TYR 92 -0.986 -16.142 -1.000 751 HB2 TYR 92 2HB TYR 92 -0.636 -15.424 -3.958 752 HB3 TYR 92 1HB TYR 92 -2.093 -16.164 -3.302 753 HD1 TYR 92 2HD TYR 92 -0.020 -13.087 -3.243 754 HD2 TYR 92 1HD TYR 92 -3.755 -14.813 -2.179 755 HE1 TYR 92 2HE TYR 92 -0.901 -10.888 -2.675 756 HE2 TYR 92 1HE TYR 92 -4.622 -12.603 -1.617 757 HH TYR 92 HH TYR 92 -3.505 -10.315 -0.873 758 H GLU 93 H GLU 93 -1.994 -18.110 -2.339 759 HA GLU 93 HA GLU 93 -0.578 -20.410 -2.204 760 HB2 GLU 93 2HB GLU 93 -2.909 -19.529 -3.883 761 HB3 GLU 93 1HB GLU 93 -2.261 -21.119 -4.165 762 HG2 GLU 93 2HG GLU 93 -3.355 -20.077 -1.543 763 HG3 GLU 93 1HG GLU 93 -4.164 -21.201 -2.638 764 H GLU 94 H GLU 94 -0.350 -18.124 -4.892 765 HA GLU 94 HA GLU 94 1.637 -19.852 -6.230 766 HB2 GLU 94 2HB GLU 94 -0.458 -18.239 -7.750 767 HB3 GLU 94 1HB GLU 94 0.743 -19.331 -8.440 768 HG2 GLU 94 2HG GLU 94 -0.431 -21.198 -7.116 769 HG3 GLU 94 1HG GLU 94 -1.719 -20.041 -6.818 770 H GLY 95 H GLY 95 0.373 -16.506 -5.905 771 HA2 GLY 95 2HA GLY 95 2.782 -15.454 -7.273 772 HA3 GLY 95 1HA GLY 95 1.211 -14.687 -7.247 773 H ASN 96 H ASN 96 4.124 -14.063 -6.279 774 HA ASN 96 HA ASN 96 3.491 -12.851 -3.671 775 HB2 ASN 96 2HB ASN 96 5.961 -12.433 -5.394 776 HB3 ASN 96 1HB ASN 96 5.723 -11.852 -3.765 777 HD21 ASN 96 1HD2 ASN 96 7.641 -12.881 -3.149 778 HD22 ASN 96 2HD2 ASN 96 7.689 -14.573 -2.835 779 H VAL 97 H VAL 97 2.572 -10.895 -3.570 780 HA VAL 97 HA VAL 97 2.694 -9.168 -5.971 781 HB VAL 97 HB VAL 97 0.646 -8.885 -3.734 782 HG11 VAL 97 1HG1 VAL 97 0.609 -7.954 -6.620 783 HG12 VAL 97 2HG1 VAL 97 0.882 -6.944 -5.201 784 HG13 VAL 97 3HG1 VAL 97 -0.688 -7.709 -5.446 785 HG21 VAL 97 3HG2 VAL 97 -0.978 -10.154 -5.098 786 HG22 VAL 97 1HG2 VAL 97 0.371 -11.146 -4.537 787 HG23 VAL 97 2HG2 VAL 97 0.319 -10.592 -6.218 788 H ASN 98 H ASN 98 3.954 -7.430 -5.756 789 HA ASN 98 HA ASN 98 5.166 -6.930 -3.115 790 HB2 ASN 98 2HB ASN 98 6.050 -6.102 -5.920 791 HB3 ASN 98 1HB ASN 98 6.932 -5.721 -4.450 792 HD21 ASN 98 1HD2 ASN 98 5.387 -8.830 -5.400 793 HD22 ASN 98 2HD2 ASN 98 6.857 -9.720 -5.401 794 H TYR 99 H TYR 99 3.248 -5.804 -2.386 795 HA TYR 99 HA TYR 99 2.157 -3.514 -3.642 796 HB2 TYR 99 2HB TYR 99 1.999 -4.460 -0.772 797 HB3 TYR 99 1HB TYR 99 1.112 -3.066 -1.369 798 HD1 TYR 99 2HD TYR 99 -0.659 -3.407 -3.181 799 HD2 TYR 99 1HD TYR 99 1.146 -6.677 -1.111 800 HE1 TYR 99 2HE TYR 99 -2.527 -4.868 -3.840 801 HE2 TYR 99 1HE TYR 99 -0.723 -8.097 -1.765 802 HH TYR 99 HH TYR 99 -2.937 -8.030 -2.458 803 H SER 100 H SER 100 3.670 -1.931 -4.120 804 HA SER 100 HA SER 100 5.403 -0.754 -2.143 805 HB2 SER 100 2HB SER 100 5.932 -0.706 -4.574 806 HB3 SER 100 1HB SER 100 4.549 0.338 -4.863 807 HG SER 100 HG SER 100 6.411 1.577 -4.678 808 H LEU 101 H LEU 101 3.830 -0.469 -0.504 809 HA LEU 101 HA LEU 101 1.728 1.532 -0.842 810 HB2 LEU 101 2HB LEU 101 2.392 -0.223 1.538 811 HB3 LEU 101 1HB LEU 101 1.059 0.913 1.483 812 HG LEU 101 HG LEU 101 1.396 -1.654 -0.018 813 HD11 LEU 101 1HD1 LEU 101 -0.908 -2.105 0.757 814 HD12 LEU 101 2HD1 LEU 101 -0.877 -0.557 1.611 815 HD13 LEU 101 3HD1 LEU 101 0.233 -1.844 2.081 816 HD21 LEU 101 3HD2 LEU 101 -0.544 0.477 -0.810 817 HD22 LEU 101 1HD2 LEU 101 -0.520 -1.185 -1.411 818 HD23 LEU 101 2HD2 LEU 101 0.831 -0.110 -1.753 819 H ALA 102 H ALA 102 1.920 3.480 -0.233 820 HA ALA 102 HA ALA 102 3.985 4.416 1.611 821 HB1 ALA 102 1HB ALA 102 5.020 5.945 0.005 822 HB2 ALA 102 2HB ALA 102 3.958 5.346 -1.269 823 HB3 ALA 102 3HB ALA 102 5.157 4.273 -0.556 824 H TYR 103 H TYR 103 3.133 5.905 2.806 825 HA TYR 103 HA TYR 103 0.774 7.456 1.999 826 HB2 TYR 103 2HB TYR 103 0.010 6.978 4.516 827 HB3 TYR 103 1HB TYR 103 -0.404 5.897 3.202 828 HD1 TYR 103 2HD TYR 103 2.424 6.300 5.693 829 HD2 TYR 103 1HD TYR 103 -0.214 3.640 3.615 830 HE1 TYR 103 2HE TYR 103 3.340 4.380 6.942 831 HE2 TYR 103 1HE TYR 103 0.701 1.742 4.842 832 HH TYR 103 HH TYR 103 2.681 1.148 6.081 833 H ASP 104 H ASP 104 0.391 9.272 3.408 834 HA ASP 104 HA ASP 104 2.726 10.784 3.950 835 HB2 ASP 104 2HB ASP 104 0.641 11.742 3.154 836 HB3 ASP 104 1HB ASP 104 -0.192 11.329 4.588 837 H GLU 105 H GLU 105 3.165 11.954 5.955 838 HA GLU 105 HA GLU 105 3.676 10.336 8.214 839 HB2 GLU 105 2HB GLU 105 3.607 13.368 7.924 840 HB3 GLU 105 1HB GLU 105 4.045 12.583 9.434 841 HG2 GLU 105 2HG GLU 105 5.917 11.452 8.304 842 HG3 GLU 105 1HG GLU 105 5.501 12.253 6.800 843 H ASP 106 H ASP 106 0.830 12.122 7.272 844 HA ASP 106 HA ASP 106 -0.675 11.888 9.702 845 HB2 ASP 106 2HB ASP 106 -1.311 13.436 7.870 846 HB3 ASP 106 1HB ASP 106 -1.514 12.085 6.772 847 H MET 107 H MET 107 -1.235 10.121 6.627 848 HA MET 107 HA MET 107 -1.081 7.480 7.390 849 HB2 MET 107 2HB MET 107 -2.754 7.943 9.157 850 HB3 MET 107 1HB MET 107 -3.867 8.614 7.974 851 HG2 MET 107 2HG MET 107 -4.533 6.352 8.673 852 HG3 MET 107 1HG MET 107 -4.131 6.407 6.953 853 HE1 MET 107 3HE MET 107 -2.077 3.288 6.776 854 HE2 MET 107 1HE MET 107 -2.647 4.682 5.857 855 HE3 MET 107 2HE MET 107 -3.787 3.702 6.781 856 H ASN 108 H ASN 108 -2.040 9.942 5.320 857 HA ASN 108 HA ASN 108 -4.080 8.736 3.775 858 HB2 ASN 108 2HB ASN 108 -2.251 10.963 2.829 859 HB3 ASN 108 1HB ASN 108 -3.852 10.583 2.248 860 HD21 ASN 108 1HD2 ASN 108 -2.012 12.109 4.728 861 HD22 ASN 108 2HD2 ASN 108 -3.334 12.889 5.502 862 H LEU 109 H LEU 109 -3.542 6.774 2.776 863 HA LEU 109 HA LEU 109 -1.155 6.201 1.475 864 HB2 LEU 109 2HB LEU 109 -3.783 4.924 1.450 865 HB3 LEU 109 1HB LEU 109 -3.034 4.853 -0.149 866 HG LEU 109 HG LEU 109 -1.909 3.721 2.452 867 HD11 LEU 109 1HD1 LEU 109 -2.581 2.439 -0.162 868 HD12 LEU 109 2HD1 LEU 109 -3.553 2.337 1.310 869 HD13 LEU 109 3HD1 LEU 109 -1.934 1.627 1.270 870 HD21 LEU 109 3HD2 LEU 109 -0.057 4.730 1.255 871 HD22 LEU 109 1HD2 LEU 109 -0.557 3.940 -0.247 872 HD23 LEU 109 2HD2 LEU 109 0.031 2.975 1.121 873 H VAL 110 H VAL 110 -0.449 6.454 -0.438 874 HA VAL 110 HA VAL 110 -1.429 8.746 -1.996 875 HB VAL 110 HB VAL 110 0.501 8.742 0.209 876 HG11 VAL 110 1HG1 VAL 110 2.274 8.375 -1.354 877 HG12 VAL 110 2HG1 VAL 110 2.354 10.026 -0.718 878 HG13 VAL 110 3HG1 VAL 110 1.737 9.734 -2.351 879 HG21 VAL 110 3HG2 VAL 110 -0.436 11.068 -1.479 880 HG22 VAL 110 1HG2 VAL 110 0.270 11.150 0.140 881 HG23 VAL 110 2HG2 VAL 110 -1.294 10.385 -0.100 882 H SER 111 H SER 111 0.335 5.857 -1.605 883 HA SER 111 HA SER 111 0.696 5.577 -4.481 884 HB2 SER 111 2HB SER 111 2.988 5.022 -2.540 885 HB3 SER 111 1HB SER 111 3.021 4.836 -4.294 886 HG SER 111 HG SER 111 2.382 7.271 -4.062 887 H PHE 112 H PHE 112 -0.633 3.877 -4.694 888 HA PHE 112 HA PHE 112 -0.042 1.440 -3.115 889 HB2 PHE 112 2HB PHE 112 -2.265 1.906 -2.391 890 HB3 PHE 112 1HB PHE 112 -2.793 2.492 -3.952 891 HD1 PHE 112 1HD PHE 112 -3.355 0.765 -5.800 892 HD2 PHE 112 2HD PHE 112 -2.261 -0.498 -1.847 893 HE1 PHE 112 1HE PHE 112 -4.225 -1.488 -6.261 894 HE2 PHE 112 2HE PHE 112 -3.113 -2.736 -2.340 895 HZ PHE 112 HZ PHE 112 -4.097 -3.252 -4.542 896 H THR 113 H THR 113 1.217 0.449 -4.448 897 HA THR 113 HA THR 113 0.296 -0.129 -7.183 898 HB THR 113 HB THR 113 3.285 0.096 -6.700 899 HG1 THR 113 1HG THR 113 1.486 2.292 -6.774 900 HG21 THR 113 3HG2 THR 113 3.296 0.910 -9.027 901 HG22 THR 113 1HG2 THR 113 1.526 0.921 -9.037 902 HG23 THR 113 2HG2 THR 113 2.401 -0.609 -8.917 903 H MET 114 H MET 114 1.515 -2.193 -7.958 904 HA MET 114 HA MET 114 2.046 -4.073 -5.803 905 HB2 MET 114 2HB MET 114 0.160 -5.578 -6.642 906 HB3 MET 114 1HB MET 114 -0.263 -4.207 -5.639 907 HG2 MET 114 2HG MET 114 -1.865 -4.173 -7.273 908 HG3 MET 114 1HG MET 114 -0.734 -3.001 -7.873 909 HE1 MET 114 3HE MET 114 -2.112 -6.599 -8.180 910 HE2 MET 114 1HE MET 114 -0.387 -6.939 -8.029 911 HE3 MET 114 2HE MET 114 -1.217 -7.252 -9.553 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 13.332 18.591 -3.586 2 H2 GLY 1 2HT GLY 1 11.684 18.899 -3.788 3 H3 GLY 1 3HT GLY 1 12.510 17.942 -4.911 4 HA2 GLY 1 1HA GLY 1 12.016 17.240 -2.070 5 HA3 GLY 1 2HA GLY 1 11.169 16.569 -3.457 6 H GLU 2 H GLU 2 12.014 14.583 -2.305 7 HA GLU 2 HA GLU 2 14.260 13.513 -3.798 8 HB2 GLU 2 2HB GLU 2 15.440 14.444 -1.822 9 HB3 GLU 2 1HB GLU 2 14.339 13.610 -0.753 10 HG2 GLU 2 2HG GLU 2 16.529 12.497 -0.847 11 HG3 GLU 2 1HG GLU 2 15.234 11.446 -1.418 12 H ILE 3 H ILE 3 13.949 11.313 -4.100 13 HA ILE 3 HA ILE 3 11.786 9.998 -2.564 14 HB ILE 3 HB ILE 3 12.964 9.009 -5.216 15 HG12 ILE 3 2HG1 ILE 3 11.965 11.228 -5.626 16 HG13 ILE 3 1HG1 ILE 3 11.004 9.975 -6.381 17 HG21 ILE 3 1HG2 ILE 3 10.904 7.640 -5.355 18 HG22 ILE 3 2HG2 ILE 3 10.378 8.277 -3.795 19 HG23 ILE 3 3HG2 ILE 3 11.830 7.280 -3.894 20 HD11 ILE 3 3HD1 ILE 3 9.394 10.147 -4.493 21 HD12 ILE 3 1HD1 ILE 3 9.579 11.633 -5.425 22 HD13 ILE 3 2HD1 ILE 3 10.360 11.481 -3.855 23 H LEU 4 H LEU 4 12.900 9.253 -0.824 24 HA LEU 4 HA LEU 4 15.614 8.447 -0.895 25 HB2 LEU 4 2HB LEU 4 13.703 8.029 1.407 26 HB3 LEU 4 1HB LEU 4 15.450 8.149 1.469 27 HG LEU 4 HG LEU 4 14.742 10.559 0.313 28 HD11 LEU 4 1HD1 LEU 4 12.456 10.277 0.572 29 HD12 LEU 4 2HD1 LEU 4 12.993 11.550 1.662 30 HD13 LEU 4 3HD1 LEU 4 12.617 9.945 2.298 31 HD21 LEU 4 3HD2 LEU 4 15.112 10.084 3.278 32 HD22 LEU 4 1HD2 LEU 4 15.290 11.628 2.440 33 HD23 LEU 4 2HD2 LEU 4 16.408 10.312 2.100 34 H LYS 5 H LYS 5 16.234 6.435 0.396 35 HA LYS 5 HA LYS 5 15.173 4.137 -1.113 36 HB2 LYS 5 2HB LYS 5 17.389 3.028 -0.457 37 HB3 LYS 5 1HB LYS 5 17.449 4.355 -1.596 38 HG2 LYS 5 2HG LYS 5 19.292 4.674 -0.166 39 HG3 LYS 5 1HG LYS 5 18.087 5.867 0.318 40 HD2 LYS 5 2HD LYS 5 19.201 4.863 2.261 41 HD3 LYS 5 1HD LYS 5 17.476 4.505 2.260 42 HE2 LYS 5 2HE LYS 5 18.668 2.520 2.933 43 HE3 LYS 5 1HE LYS 5 18.022 2.225 1.319 44 HZ1 LYS 5 3HZ LYS 5 20.299 1.455 1.530 45 HZ2 LYS 5 1HZ LYS 5 20.818 3.003 1.963 46 HZ3 LYS 5 2HZ LYS 5 20.217 2.715 0.411 47 H GLU 6 H GLU 6 14.374 5.390 1.644 48 HA GLU 6 HA GLU 6 13.362 3.103 2.925 49 HB2 GLU 6 2HB GLU 6 14.712 2.928 4.934 50 HB3 GLU 6 1HB GLU 6 15.782 2.742 3.548 51 HG2 GLU 6 2HG GLU 6 16.581 5.037 3.815 52 HG3 GLU 6 1HG GLU 6 15.441 5.310 5.142 53 H LEU 7 H LEU 7 13.152 3.984 5.534 54 HA LEU 7 HA LEU 7 11.446 6.341 5.244 55 HB2 LEU 7 2HB LEU 7 11.747 4.325 7.485 56 HB3 LEU 7 1HB LEU 7 10.558 5.634 7.451 57 HG LEU 7 HG LEU 7 10.714 3.238 5.602 58 HD11 LEU 7 1HD1 LEU 7 9.854 2.780 7.830 59 HD12 LEU 7 2HD1 LEU 7 8.651 2.551 6.575 60 HD13 LEU 7 3HD1 LEU 7 8.595 3.993 7.599 61 HD21 LEU 7 3HD2 LEU 7 8.689 5.499 5.544 62 HD22 LEU 7 1HD2 LEU 7 8.656 4.036 4.550 63 HD23 LEU 7 2HD2 LEU 7 9.952 5.208 4.345 64 HA PRO 8 HA PRO 8 14.508 8.758 7.706 65 HB2 PRO 8 2HB PRO 8 13.801 11.164 6.672 66 HB3 PRO 8 1HB PRO 8 14.859 10.054 5.770 67 HG2 PRO 8 2HG PRO 8 11.891 10.483 5.463 68 HG3 PRO 8 1HG PRO 8 13.157 10.428 4.210 69 HD2 PRO 8 2HD PRO 8 11.633 8.250 4.793 70 HD3 PRO 8 1HD PRO 8 13.316 8.117 4.264 71 H GLU 9 H GLU 9 13.098 11.398 8.111 72 HA GLU 9 HA GLU 9 12.152 10.800 10.695 73 HB2 GLU 9 2HB GLU 9 12.089 13.416 9.141 74 HB3 GLU 9 1HB GLU 9 11.752 13.267 10.861 75 HG2 GLU 9 2HG GLU 9 13.967 14.063 10.672 76 HG3 GLU 9 1HG GLU 9 14.070 12.375 11.169 77 H GLY 10 H GLY 10 10.169 10.814 11.589 78 HA2 GLY 10 2HA GLY 10 7.921 11.433 11.827 79 HA3 GLY 10 1HA GLY 10 7.852 11.823 10.118 80 H PHE 11 H PHE 11 9.310 9.022 9.887 81 HA PHE 11 HA PHE 11 6.816 7.392 9.779 82 HB2 PHE 11 2HB PHE 11 9.355 6.771 8.235 83 HB3 PHE 11 1HB PHE 11 7.725 6.279 7.853 84 HD1 PHE 11 2HD PHE 11 6.085 8.464 7.534 85 HD2 PHE 11 1HD PHE 11 10.272 8.334 6.824 86 HE1 PHE 11 2HE PHE 11 5.889 10.421 6.083 87 HE2 PHE 11 1HE PHE 11 10.088 10.307 5.374 88 HZ PHE 11 HZ PHE 11 7.894 11.348 5.004 89 H ASP 12 H ASP 12 7.826 4.837 9.749 90 HA ASP 12 HA ASP 12 10.052 4.423 11.523 91 HB2 ASP 12 2HB ASP 12 8.167 4.955 13.154 92 HB3 ASP 12 1HB ASP 12 7.312 3.552 12.559 93 H LYS 13 H LYS 13 11.006 2.717 10.660 94 HA LYS 13 HA LYS 13 9.892 1.148 8.644 95 HB2 LYS 13 2HB LYS 13 12.496 1.511 9.990 96 HB3 LYS 13 1HB LYS 13 12.260 -0.112 9.409 97 HG2 LYS 13 2HG LYS 13 11.866 0.696 7.151 98 HG3 LYS 13 1HG LYS 13 11.934 2.362 7.709 99 HD2 LYS 13 2HD LYS 13 14.287 0.471 8.028 100 HD3 LYS 13 1HD LYS 13 14.035 1.390 6.534 101 HE2 LYS 13 2HE LYS 13 14.300 3.437 7.609 102 HE3 LYS 13 1HE LYS 13 14.015 2.754 9.210 103 HZ1 LYS 13 3HZ LYS 13 16.325 3.276 8.967 104 HZ2 LYS 13 1HZ LYS 13 16.443 2.394 7.533 105 HZ3 LYS 13 2HZ LYS 13 16.168 1.595 8.996 106 H GLU 14 H GLU 14 9.827 0.655 12.041 107 HA GLU 14 HA GLU 14 9.249 -2.220 11.803 108 HB2 GLU 14 2HB GLU 14 9.375 -0.423 14.262 109 HB3 GLU 14 1HB GLU 14 9.253 -2.185 14.277 110 HG2 GLU 14 2HG GLU 14 11.453 -2.400 13.256 111 HG3 GLU 14 1HG GLU 14 11.574 -0.654 13.041 112 H THR 15 H THR 15 7.581 0.836 12.250 113 HA THR 15 HA THR 15 5.032 -0.337 13.052 114 HB THR 15 HB THR 15 5.821 2.553 12.415 115 HG1 THR 15 1HG THR 15 6.704 1.394 14.344 116 HG21 THR 15 3HG2 THR 15 3.712 3.199 13.566 117 HG22 THR 15 1HG2 THR 15 3.260 1.502 13.702 118 HG23 THR 15 2HG2 THR 15 3.376 2.256 12.109 119 H VAL 16 H VAL 16 6.473 1.057 10.180 120 HA VAL 16 HA VAL 16 4.100 1.334 8.595 121 HB VAL 16 HB VAL 16 7.080 1.622 8.028 122 HG11 VAL 16 1HG1 VAL 16 6.544 2.649 5.834 123 HG12 VAL 16 2HG1 VAL 16 4.862 2.159 6.032 124 HG13 VAL 16 3HG1 VAL 16 6.121 0.937 5.894 125 HG21 VAL 16 3HG2 VAL 16 4.849 3.698 8.175 126 HG22 VAL 16 1HG2 VAL 16 6.562 4.040 7.904 127 HG23 VAL 16 2HG2 VAL 16 6.028 3.369 9.447 128 H ARG 17 H ARG 17 6.454 -1.166 9.147 129 HA ARG 17 HA ARG 17 5.949 -2.923 7.026 130 HB2 ARG 17 2HB ARG 17 7.765 -3.069 8.794 131 HB3 ARG 17 1HB ARG 17 6.551 -3.720 9.894 132 HG2 ARG 17 2HG ARG 17 6.989 -5.013 7.199 133 HG3 ARG 17 1HG ARG 17 8.110 -5.321 8.507 134 HD2 ARG 17 2HD ARG 17 6.397 -6.298 9.863 135 HD3 ARG 17 1HD ARG 17 5.128 -5.737 8.781 136 HE ARG 17 HE ARG 17 6.909 -7.444 7.389 137 HH11 ARG 17 1HH1 ARG 17 4.368 -7.605 9.818 138 HH12 ARG 17 2HH1 ARG 17 3.885 -9.206 9.381 139 HH21 ARG 17 1HH2 ARG 17 6.211 -9.529 6.798 140 HH22 ARG 17 2HH2 ARG 17 4.927 -10.294 7.673 141 H LYS 18 H LYS 18 4.435 -2.671 10.248 142 HA LYS 18 HA LYS 18 2.376 -4.589 9.917 143 HB2 LYS 18 2HB LYS 18 3.365 -3.424 12.084 144 HB3 LYS 18 1HB LYS 18 2.177 -2.171 11.764 145 HG2 LYS 18 2HG LYS 18 1.576 -5.098 12.307 146 HG3 LYS 18 1HG LYS 18 1.440 -3.788 13.478 147 HD2 LYS 18 2HD LYS 18 -0.304 -2.754 11.877 148 HD3 LYS 18 1HD LYS 18 -0.278 -4.293 11.014 149 HE2 LYS 18 2HE LYS 18 -2.145 -4.341 12.522 150 HE3 LYS 18 1HE LYS 18 -0.919 -5.415 13.193 151 HZ1 LYS 18 3HZ LYS 18 -1.803 -4.077 14.935 152 HZ2 LYS 18 1HZ LYS 18 -1.546 -2.647 14.071 153 HZ3 LYS 18 2HZ LYS 18 -0.232 -3.539 14.639 154 H GLN 19 H GLN 19 2.578 -1.108 9.422 155 HA GLN 19 HA GLN 19 -0.227 -0.739 8.828 156 HB2 GLN 19 2HB GLN 19 1.464 0.927 10.050 157 HB3 GLN 19 1HB GLN 19 1.879 1.392 8.410 158 HG2 GLN 19 2HG GLN 19 -0.520 2.047 10.005 159 HG3 GLN 19 1HG GLN 19 0.258 2.960 8.729 160 HE21 GLN 19 1HE2 GLN 19 -2.137 0.511 9.462 161 HE22 GLN 19 2HE2 GLN 19 -2.941 0.562 7.938 162 H ALA 20 H ALA 20 0.059 -2.316 7.148 163 HA ALA 20 HA ALA 20 0.067 -1.294 4.544 164 HB1 ALA 20 1HB ALA 20 2.025 -2.495 3.622 165 HB2 ALA 20 2HB ALA 20 2.499 -2.995 5.252 166 HB3 ALA 20 3HB ALA 20 2.515 -1.285 4.809 167 H MET 21 H MET 21 0.829 -4.103 6.538 168 HA MET 21 HA MET 21 -0.261 -6.226 5.144 169 HB2 MET 21 2HB MET 21 -0.452 -5.792 8.160 170 HB3 MET 21 1HB MET 21 -0.548 -7.338 7.325 171 HG2 MET 21 2HG MET 21 1.850 -6.769 6.500 172 HG3 MET 21 1HG MET 21 1.854 -5.607 7.830 173 HE1 MET 21 3HE MET 21 1.239 -8.105 10.880 174 HE2 MET 21 1HE MET 21 -0.021 -7.293 9.957 175 HE3 MET 21 2HE MET 21 1.427 -6.406 10.437 176 H GLU 22 H GLU 22 -1.845 -4.091 7.463 177 HA GLU 22 HA GLU 22 -4.415 -5.013 7.476 178 HB2 GLU 22 2HB GLU 22 -3.416 -3.512 9.122 179 HB3 GLU 22 1HB GLU 22 -3.148 -2.279 7.889 180 HG2 GLU 22 2HG GLU 22 -5.507 -1.942 7.649 181 HG3 GLU 22 1HG GLU 22 -5.848 -3.252 8.775 182 H ASP 23 H ASP 23 -2.957 -2.382 5.582 183 HA ASP 23 HA ASP 23 -5.247 -1.527 4.193 184 HB2 ASP 23 2HB ASP 23 -2.270 -1.175 3.682 185 HB3 ASP 23 1HB ASP 23 -3.489 -0.328 2.731 186 H ILE 24 H ILE 24 -2.939 -4.047 3.482 187 HA ILE 24 HA ILE 24 -3.596 -4.624 0.771 188 HB ILE 24 HB ILE 24 -2.483 -6.377 3.010 189 HG12 ILE 24 2HG1 ILE 24 -1.056 -5.170 0.608 190 HG13 ILE 24 1HG1 ILE 24 -1.090 -4.433 2.200 191 HG21 ILE 24 1HG2 ILE 24 -2.656 -7.121 0.066 192 HG22 ILE 24 2HG2 ILE 24 -3.558 -7.872 1.383 193 HG23 ILE 24 3HG2 ILE 24 -1.805 -8.041 1.311 194 HD11 ILE 24 3HD1 ILE 24 0.083 -6.386 3.118 195 HD12 ILE 24 1HD1 ILE 24 0.989 -5.572 1.844 196 HD13 ILE 24 2HD1 ILE 24 0.157 -7.083 1.497 197 H GLU 25 H GLU 25 -4.847 -5.768 3.888 198 HA GLU 25 HA GLU 25 -6.548 -7.775 2.729 199 HB2 GLU 25 2HB GLU 25 -6.246 -6.857 5.603 200 HB3 GLU 25 1HB GLU 25 -7.135 -8.296 5.093 201 HG2 GLU 25 2HG GLU 25 -5.101 -9.347 4.298 202 HG3 GLU 25 1HG GLU 25 -4.167 -7.879 4.585 203 H ILE 26 H ILE 26 -6.953 -4.549 2.984 204 HA ILE 26 HA ILE 26 -9.905 -4.675 3.166 205 HB ILE 26 HB ILE 26 -8.205 -2.155 2.890 206 HG12 ILE 26 2HG1 ILE 26 -9.080 -3.299 5.575 207 HG13 ILE 26 1HG1 ILE 26 -7.503 -3.643 4.883 208 HG21 ILE 26 1HG2 ILE 26 -10.625 -1.864 2.533 209 HG22 ILE 26 2HG2 ILE 26 -10.114 -1.048 4.011 210 HG23 ILE 26 3HG2 ILE 26 -10.964 -2.595 4.104 211 HD11 ILE 26 3HD1 ILE 26 -6.971 -1.277 4.881 212 HD12 ILE 26 1HD1 ILE 26 -7.352 -1.881 6.490 213 HD13 ILE 26 2HD1 ILE 26 -8.541 -0.916 5.610 214 H ALA 27 H ALA 27 -7.194 -4.230 1.019 215 HA ALA 27 HA ALA 27 -8.636 -3.129 -1.233 216 HB1 ALA 27 1HB ALA 27 -5.841 -4.318 -1.066 217 HB2 ALA 27 2HB ALA 27 -6.256 -2.614 -0.863 218 HB3 ALA 27 3HB ALA 27 -6.491 -3.397 -2.428 219 H GLN 28 H GLN 28 -7.445 -6.326 -0.238 220 HA GLN 28 HA GLN 28 -8.048 -7.814 -2.566 221 HB2 GLN 28 2HB GLN 28 -7.916 -8.695 0.349 222 HB3 GLN 28 1HB GLN 28 -8.020 -9.813 -1.011 223 HG2 GLN 28 2HG GLN 28 -5.843 -9.058 -1.832 224 HG3 GLN 28 1HG GLN 28 -5.737 -7.867 -0.531 225 HE21 GLN 28 1HE2 GLN 28 -5.377 -8.618 1.608 226 HE22 GLN 28 2HE2 GLN 28 -4.789 -10.207 1.938 227 H SER 29 H SER 29 -9.954 -6.950 0.266 228 HA SER 29 HA SER 29 -12.234 -8.588 -0.326 229 HB2 SER 29 2HB SER 29 -11.960 -6.227 1.572 230 HB3 SER 29 1HB SER 29 -13.262 -7.417 1.579 231 HG SER 29 HG SER 29 -11.898 -8.931 2.329 232 H LYS 30 H LYS 30 -11.102 -5.775 -1.743 233 HA LYS 30 HA LYS 30 -11.876 -4.234 -3.167 234 HB2 LYS 30 2HB LYS 30 -14.396 -5.933 -3.342 235 HB3 LYS 30 1HB LYS 30 -13.925 -4.663 -4.469 236 HG2 LYS 30 2HG LYS 30 -12.098 -5.945 -5.320 237 HG3 LYS 30 1HG LYS 30 -12.225 -7.136 -4.017 238 HD2 LYS 30 2HD LYS 30 -14.332 -6.651 -6.169 239 HD3 LYS 30 1HD LYS 30 -13.160 -7.974 -6.170 240 HE2 LYS 30 2HE LYS 30 -14.136 -8.852 -4.082 241 HE3 LYS 30 1HE LYS 30 -15.290 -7.516 -4.046 242 HZ1 LYS 30 3HZ LYS 30 -15.122 -9.538 -6.214 243 HZ2 LYS 30 1HZ LYS 30 -16.278 -8.315 -6.061 244 HZ3 LYS 30 2HZ LYS 30 -16.227 -9.578 -4.941 245 H ASP 31 H ASP 31 -11.923 -3.322 -0.804 246 HA ASP 31 HA ASP 31 -14.509 -1.987 -0.325 247 HB2 ASP 31 2HB ASP 31 -11.892 -1.987 1.236 248 HB3 ASP 31 1HB ASP 31 -13.271 -0.977 1.657 249 H TYR 32 H TYR 32 -14.865 -0.057 -1.192 250 HA TYR 32 HA TYR 32 -12.672 1.279 -2.656 251 HB2 TYR 32 2HB TYR 32 -15.560 2.108 -3.033 252 HB3 TYR 32 1HB TYR 32 -14.268 2.013 -4.221 253 HD1 TYR 32 1HD TYR 32 -13.397 -0.721 -4.293 254 HD2 TYR 32 2HD TYR 32 -17.361 0.740 -3.640 255 HE1 TYR 32 1HE TYR 32 -14.319 -2.849 -5.070 256 HE2 TYR 32 2HE TYR 32 -18.276 -1.392 -4.422 257 HH TYR 32 HH TYR 32 -16.462 -4.177 -4.767 258 H GLU 33 H GLU 33 -15.620 2.182 -0.882 259 HA GLU 33 HA GLU 33 -14.347 4.578 0.142 260 HB2 GLU 33 2HB GLU 33 -16.550 5.463 0.546 261 HB3 GLU 33 1HB GLU 33 -16.363 4.991 -1.139 262 HG2 GLU 33 2HG GLU 33 -17.682 3.027 -0.814 263 HG3 GLU 33 1HG GLU 33 -17.709 3.266 0.930 264 H SER 34 H SER 34 -14.252 1.736 1.165 265 HA SER 34 HA SER 34 -14.551 2.487 4.026 266 HB2 SER 34 2HB SER 34 -14.267 -0.323 2.866 267 HB3 SER 34 1HB SER 34 -14.491 0.083 4.568 268 HG SER 34 HG SER 34 -16.480 -0.435 3.782 269 H TRP 35 H TRP 35 -12.433 1.457 1.467 270 HA TRP 35 HA TRP 35 -10.031 1.275 3.133 271 HB2 TRP 35 2HB TRP 35 -10.484 -0.322 1.264 272 HB3 TRP 35 1HB TRP 35 -10.465 1.016 0.131 273 HD1 TRP 35 HD TRP 35 -7.793 0.116 2.874 274 HE1 TRP 35 1HE TRP 35 -5.544 -0.181 1.657 275 HE3 TRP 35 3HE TRP 35 -9.397 0.852 -1.909 276 HZ2 TRP 35 2HZ TRP 35 -4.587 -0.130 -1.008 277 HZ3 TRP 35 3HZ TRP 35 -7.766 0.687 -3.750 278 HH2 TRP 35 HH TRP 35 -5.421 0.216 -3.299 279 H LYS 36 H LYS 36 -11.713 3.401 1.011 280 HA LYS 36 HA LYS 36 -10.043 5.375 0.207 281 HB2 LYS 36 2HB LYS 36 -12.043 6.722 0.121 282 HB3 LYS 36 1HB LYS 36 -12.567 5.099 -0.031 283 HG2 LYS 36 2HG LYS 36 -14.011 5.523 1.569 284 HG3 LYS 36 1HG LYS 36 -12.716 5.482 2.704 285 HD2 LYS 36 2HD LYS 36 -13.910 7.447 3.195 286 HD3 LYS 36 1HD LYS 36 -12.511 8.009 2.288 287 HE2 LYS 36 2HE LYS 36 -13.901 8.157 0.242 288 HE3 LYS 36 1HE LYS 36 -15.300 7.583 1.162 289 HZ1 LYS 36 3HZ LYS 36 -15.179 9.538 2.538 290 HZ2 LYS 36 1HZ LYS 36 -15.271 9.999 0.916 291 HZ3 LYS 36 2HZ LYS 36 -13.794 10.088 1.737 292 H SER 37 H SER 37 -11.163 4.712 3.454 293 HA SER 37 HA SER 37 -10.759 7.095 4.815 294 HB2 SER 37 2HB SER 37 -10.447 4.277 5.938 295 HB3 SER 37 1HB SER 37 -10.923 5.729 6.829 296 HG SER 37 HG SER 37 -12.890 5.224 6.295 297 H ARG 38 H ARG 38 -8.478 4.523 3.980 298 HA ARG 38 HA ARG 38 -6.258 5.454 5.455 299 HB2 ARG 38 2HB ARG 38 -6.366 3.905 2.840 300 HB3 ARG 38 1HB ARG 38 -4.893 4.172 3.768 301 HG2 ARG 38 2HG ARG 38 -7.335 2.625 4.713 302 HG3 ARG 38 1HG ARG 38 -5.812 1.922 4.159 303 HD2 ARG 38 2HD ARG 38 -4.624 2.950 6.052 304 HD3 ARG 38 1HD ARG 38 -6.117 3.730 6.597 305 HE ARG 38 HE ARG 38 -5.390 0.903 6.820 306 HH11 ARG 38 1HH1 ARG 38 -7.840 3.380 7.343 307 HH12 ARG 38 2HH1 ARG 38 -8.782 2.396 8.410 308 HH21 ARG 38 1HH2 ARG 38 -6.651 -0.366 8.214 309 HH22 ARG 38 2HH2 ARG 38 -8.102 0.269 8.906 310 H PHE 39 H PHE 39 -7.299 6.063 2.096 311 HA PHE 39 HA PHE 39 -5.180 7.732 1.306 312 HB2 PHE 39 2HB PHE 39 -8.008 7.477 0.207 313 HB3 PHE 39 1HB PHE 39 -6.717 8.358 -0.602 314 HD1 PHE 39 1HD PHE 39 -4.680 7.137 -1.402 315 HD2 PHE 39 2HD PHE 39 -8.186 5.077 0.044 316 HE1 PHE 39 1HE PHE 39 -3.828 5.029 -2.353 317 HE2 PHE 39 2HE PHE 39 -7.318 2.986 -0.953 318 HZ PHE 39 HZ PHE 39 -5.156 2.961 -2.145 319 H THR 40 H THR 40 -5.365 10.000 0.564 320 HA THR 40 HA THR 40 -6.189 11.811 2.639 321 HB THR 40 HB THR 40 -5.373 13.599 1.272 322 HG1 THR 40 1HG THR 40 -4.978 13.166 -1.065 323 HG21 THR 40 3HG2 THR 40 -3.254 12.863 0.240 324 HG22 THR 40 1HG2 THR 40 -3.773 11.183 0.389 325 HG23 THR 40 2HG2 THR 40 -3.486 12.156 1.836 326 H LYS 41 H LYS 41 -7.902 13.392 2.542 327 HA LYS 41 HA LYS 41 -10.408 12.656 1.674 328 HB2 LYS 41 2HB LYS 41 -9.204 15.124 2.656 329 HB3 LYS 41 1HB LYS 41 -10.491 15.492 1.530 330 HG2 LYS 41 2HG LYS 41 -10.810 13.721 3.975 331 HG3 LYS 41 1HG LYS 41 -11.214 15.443 3.912 332 HD2 LYS 41 2HD LYS 41 -12.894 14.998 2.158 333 HD3 LYS 41 1HD LYS 41 -12.466 13.284 2.155 334 HE2 LYS 41 2HE LYS 41 -13.272 13.064 4.462 335 HE3 LYS 41 1HE LYS 41 -13.654 14.788 4.517 336 HZ1 LYS 41 3HZ LYS 41 -14.901 12.783 2.715 337 HZ2 LYS 41 1HZ LYS 41 -15.266 14.433 2.740 338 HZ3 LYS 41 2HZ LYS 41 -15.621 13.466 4.081 339 H ASP 42 H ASP 42 -7.949 14.312 -0.212 340 HA ASP 42 HA ASP 42 -9.473 14.944 -2.528 341 HB2 ASP 42 2HB ASP 42 -7.281 15.989 -2.091 342 HB3 ASP 42 1HB ASP 42 -6.487 14.419 -2.170 343 H LEU 43 H LEU 43 -7.334 12.228 -1.689 344 HA LEU 43 HA LEU 43 -7.574 10.844 -4.155 345 HB2 LEU 43 2HB LEU 43 -6.557 10.045 -1.445 346 HB3 LEU 43 1HB LEU 43 -6.471 8.980 -2.848 347 HG LEU 43 HG LEU 43 -5.192 11.744 -2.786 348 HD11 LEU 43 1HD1 LEU 43 -4.245 10.283 -1.070 349 HD12 LEU 43 2HD1 LEU 43 -3.104 10.646 -2.361 350 HD13 LEU 43 3HD1 LEU 43 -3.907 9.071 -2.305 351 HD21 LEU 43 3HD2 LEU 43 -3.939 10.942 -4.692 352 HD22 LEU 43 1HD2 LEU 43 -5.666 10.799 -5.027 353 HD23 LEU 43 2HD2 LEU 43 -4.731 9.361 -4.582 354 H GLN 44 H GLN 44 -9.448 10.794 -1.214 355 HA GLN 44 HA GLN 44 -10.752 8.314 -1.454 356 HB2 GLN 44 2HB GLN 44 -11.746 10.935 -0.276 357 HB3 GLN 44 1HB GLN 44 -12.474 9.351 -0.005 358 HG2 GLN 44 2HG GLN 44 -10.391 8.553 0.997 359 HG3 GLN 44 1HG GLN 44 -9.659 10.129 0.741 360 HE21 GLN 44 1HE2 GLN 44 -9.895 8.776 3.179 361 HE22 GLN 44 2HE2 GLN 44 -10.860 9.760 4.197 362 H SER 45 H SER 45 -11.108 11.293 -3.164 363 HA SER 45 HA SER 45 -13.553 10.483 -4.570 364 HB2 SER 45 2HB SER 45 -11.961 13.052 -4.726 365 HB3 SER 45 1HB SER 45 -13.570 12.782 -5.393 366 HG SER 45 HG SER 45 -12.760 13.021 -2.700 367 H SER 46 H SER 46 -10.206 10.035 -4.891 368 HA SER 46 HA SER 46 -10.182 10.460 -7.823 369 HB2 SER 46 2HB SER 46 -7.843 10.479 -5.869 370 HB3 SER 46 1HB SER 46 -7.723 10.707 -7.613 371 HG SER 46 HG SER 46 -8.739 12.437 -5.658 372 H LEU 47 H LEU 47 -10.262 7.966 -5.482 373 HA LEU 47 HA LEU 47 -8.729 5.979 -6.689 374 HB2 LEU 47 2HB LEU 47 -11.403 5.658 -5.274 375 HB3 LEU 47 1HB LEU 47 -10.319 4.346 -5.684 376 HG LEU 47 HG LEU 47 -9.556 4.569 -3.615 377 HD11 LEU 47 1HD1 LEU 47 -8.187 7.040 -4.485 378 HD12 LEU 47 2HD1 LEU 47 -7.623 5.386 -4.718 379 HD13 LEU 47 3HD1 LEU 47 -7.756 6.046 -3.091 380 HD21 LEU 47 3HD2 LEU 47 -10.712 7.273 -3.328 381 HD22 LEU 47 1HD2 LEU 47 -9.981 6.329 -2.027 382 HD23 LEU 47 2HD2 LEU 47 -11.439 5.745 -2.824 383 H THR 48 H THR 48 -8.788 5.554 -8.769 384 HA THR 48 HA THR 48 -11.245 5.585 -10.338 385 HB THR 48 HB THR 48 -9.627 4.801 -12.216 386 HG1 THR 48 1HG THR 48 -7.720 4.275 -11.487 387 HG21 THR 48 3HG2 THR 48 -10.401 7.143 -12.041 388 HG22 THR 48 1HG2 THR 48 -8.726 7.047 -12.591 389 HG23 THR 48 2HG2 THR 48 -9.079 7.494 -10.921 390 H GLU 49 H GLU 49 -12.352 3.810 -10.878 391 HA GLU 49 HA GLU 49 -12.122 1.545 -9.230 392 HB2 GLU 49 2HB GLU 49 -13.815 1.898 -11.726 393 HB3 GLU 49 1HB GLU 49 -14.038 0.677 -10.495 394 HG2 GLU 49 2HG GLU 49 -15.609 2.127 -9.716 395 HG3 GLU 49 1HG GLU 49 -14.228 2.865 -8.922 396 H GLU 50 H GLU 50 -11.105 2.188 -12.529 397 HA GLU 50 HA GLU 50 -10.620 -0.482 -13.343 398 HB2 GLU 50 2HB GLU 50 -10.917 1.554 -14.837 399 HB3 GLU 50 1HB GLU 50 -9.300 2.057 -14.388 400 HG2 GLU 50 2HG GLU 50 -8.363 0.031 -15.377 401 HG3 GLU 50 1HG GLU 50 -9.977 -0.542 -15.777 402 H SER 51 H SER 51 -8.679 1.879 -11.535 403 HA SER 51 HA SER 51 -6.158 0.634 -11.725 404 HB2 SER 51 2HB SER 51 -7.370 2.300 -9.492 405 HB3 SER 51 1HB SER 51 -5.697 1.734 -9.454 406 HG SER 51 HG SER 51 -5.399 3.555 -10.485 407 H TYR 52 H TYR 52 -8.743 0.099 -9.249 408 HA TYR 52 HA TYR 52 -7.245 -2.043 -8.030 409 HB2 TYR 52 2HB TYR 52 -8.866 -2.169 -6.353 410 HB3 TYR 52 1HB TYR 52 -8.976 -0.487 -6.823 411 HD1 TYR 52 1HD TYR 52 -10.691 -3.764 -6.871 412 HD2 TYR 52 2HD TYR 52 -11.084 0.374 -7.872 413 HE1 TYR 52 1HE TYR 52 -13.099 -4.066 -7.198 414 HE2 TYR 52 2HE TYR 52 -13.488 0.056 -8.199 415 HH TYR 52 HH TYR 52 -15.075 -1.688 -8.685 416 H ASP 53 H ASP 53 -9.887 -1.805 -10.356 417 HA ASP 53 HA ASP 53 -10.855 -4.461 -10.194 418 HB2 ASP 53 2HB ASP 53 -12.102 -2.428 -11.086 419 HB3 ASP 53 1HB ASP 53 -11.143 -2.547 -12.549 420 H SER 54 H SER 54 -8.690 -2.857 -12.526 421 HA SER 54 HA SER 54 -8.170 -4.942 -14.266 422 HB2 SER 54 2HB SER 54 -6.072 -3.774 -14.836 423 HB3 SER 54 1HB SER 54 -7.402 -2.630 -14.653 424 HG SER 54 HG SER 54 -6.596 -2.241 -12.497 425 H TYR 55 H TYR 55 -6.590 -4.277 -11.125 426 HA TYR 55 HA TYR 55 -4.533 -6.232 -11.541 427 HB2 TYR 55 2HB TYR 55 -3.504 -5.399 -9.678 428 HB3 TYR 55 1HB TYR 55 -4.524 -4.031 -10.029 429 HD1 TYR 55 2HD TYR 55 -4.496 -7.143 -7.863 430 HD2 TYR 55 1HD TYR 55 -5.694 -3.068 -8.201 431 HE1 TYR 55 2HE TYR 55 -5.167 -7.153 -5.512 432 HE2 TYR 55 1HE TYR 55 -6.357 -3.067 -5.833 433 HH TYR 55 HH TYR 55 -5.462 -5.531 -3.681 434 H LEU 56 H LEU 56 -7.702 -6.256 -10.139 435 HA LEU 56 HA LEU 56 -7.529 -8.507 -8.484 436 HB2 LEU 56 2HB LEU 56 -9.915 -7.510 -10.067 437 HB3 LEU 56 1HB LEU 56 -9.999 -8.697 -8.770 438 HG LEU 56 HG LEU 56 -9.118 -5.816 -8.442 439 HD11 LEU 56 1HD1 LEU 56 -11.231 -5.528 -7.229 440 HD12 LEU 56 2HD1 LEU 56 -11.713 -7.159 -7.709 441 HD13 LEU 56 3HD1 LEU 56 -11.462 -5.909 -8.935 442 HD21 LEU 56 3HD2 LEU 56 -8.002 -7.233 -6.807 443 HD22 LEU 56 1HD2 LEU 56 -9.543 -7.960 -6.345 444 HD23 LEU 56 2HD2 LEU 56 -9.234 -6.253 -6.017 445 H LYS 57 H LYS 57 -7.846 -8.293 -11.972 446 HA LYS 57 HA LYS 57 -8.719 -10.916 -12.526 447 HB2 LYS 57 2HB LYS 57 -6.978 -9.124 -14.231 448 HB3 LYS 57 1HB LYS 57 -7.915 -10.502 -14.788 449 HG2 LYS 57 2HG LYS 57 -9.041 -7.920 -13.664 450 HG3 LYS 57 1HG LYS 57 -9.005 -8.402 -15.349 451 HD2 LYS 57 2HD LYS 57 -11.203 -8.924 -14.830 452 HD3 LYS 57 1HD LYS 57 -10.439 -10.476 -14.510 453 HE2 LYS 57 2HE LYS 57 -10.421 -9.977 -12.086 454 HE3 LYS 57 1HE LYS 57 -11.121 -8.376 -12.414 455 HZ1 LYS 57 3HZ LYS 57 -13.022 -9.670 -13.459 456 HZ2 LYS 57 1HZ LYS 57 -12.891 -9.731 -11.775 457 HZ3 LYS 57 2HZ LYS 57 -12.375 -11.039 -12.706 458 H ILE 58 H ILE 58 -5.609 -9.516 -11.909 459 HA ILE 58 HA ILE 58 -4.038 -11.872 -12.432 460 HB ILE 58 HB ILE 58 -3.342 -9.240 -11.045 461 HG12 ILE 58 2HG1 ILE 58 -1.919 -8.878 -13.139 462 HG13 ILE 58 1HG1 ILE 58 -2.733 -10.258 -13.861 463 HG21 ILE 58 1HG2 ILE 58 -1.458 -11.507 -11.775 464 HG22 ILE 58 2HG2 ILE 58 -1.891 -10.984 -10.146 465 HG23 ILE 58 3HG2 ILE 58 -0.961 -9.913 -11.192 466 HD11 ILE 58 3HD1 ILE 58 -4.012 -7.668 -12.983 467 HD12 ILE 58 1HD1 ILE 58 -4.867 -9.047 -13.677 468 HD13 ILE 58 2HD1 ILE 58 -3.677 -8.175 -14.642 469 H LEU 59 H LEU 59 -5.325 -10.148 -9.626 470 HA LEU 59 HA LEU 59 -4.167 -11.507 -7.486 471 HB2 LEU 59 2HB LEU 59 -5.715 -9.411 -7.543 472 HB3 LEU 59 1HB LEU 59 -7.016 -10.537 -7.409 473 HG LEU 59 HG LEU 59 -6.036 -11.392 -5.259 474 HD11 LEU 59 1HD1 LEU 59 -4.327 -10.028 -4.122 475 HD12 LEU 59 2HD1 LEU 59 -4.114 -9.083 -5.601 476 HD13 LEU 59 3HD1 LEU 59 -3.721 -10.806 -5.583 477 HD21 LEU 59 3HD2 LEU 59 -6.675 -8.429 -5.281 478 HD22 LEU 59 1HD2 LEU 59 -6.733 -9.497 -3.874 479 HD23 LEU 59 2HD2 LEU 59 -7.849 -9.746 -5.215 480 H GLU 60 H GLU 60 -7.082 -12.203 -9.305 481 HA GLU 60 HA GLU 60 -8.195 -14.189 -7.732 482 HB2 GLU 60 2HB GLU 60 -8.478 -13.336 -10.619 483 HB3 GLU 60 1HB GLU 60 -9.379 -14.690 -10.025 484 HG2 GLU 60 2HG GLU 60 -10.474 -13.275 -8.339 485 HG3 GLU 60 1HG GLU 60 -9.554 -11.903 -8.944 486 H LYS 61 H LYS 61 -5.537 -14.285 -9.911 487 HA LYS 61 HA LYS 61 -5.531 -17.244 -10.063 488 HB2 LYS 61 2HB LYS 61 -4.292 -17.009 -12.207 489 HB3 LYS 61 1HB LYS 61 -5.947 -16.397 -12.273 490 HG2 LYS 61 2HG LYS 61 -4.956 -14.089 -11.890 491 HG3 LYS 61 1HG LYS 61 -3.371 -14.824 -12.137 492 HD2 LYS 61 2HD LYS 61 -5.660 -14.727 -14.140 493 HD3 LYS 61 1HD LYS 61 -4.180 -13.766 -14.201 494 HE2 LYS 61 2HE LYS 61 -2.845 -15.746 -14.613 495 HE3 LYS 61 1HE LYS 61 -4.238 -16.801 -14.364 496 HZ1 LYS 61 3HZ LYS 61 -3.775 -16.480 -16.705 497 HZ2 LYS 61 1HZ LYS 61 -3.963 -14.806 -16.545 498 HZ3 LYS 61 2HZ LYS 61 -5.285 -15.835 -16.302 499 H GLN 62 H GLN 62 -4.308 -15.068 -8.238 500 HA GLN 62 HA GLN 62 -1.485 -15.828 -8.277 501 HB2 GLN 62 2HB GLN 62 -3.103 -14.073 -6.399 502 HB3 GLN 62 1HB GLN 62 -1.398 -14.343 -6.253 503 HG2 GLN 62 2HG GLN 62 -2.825 -12.904 -8.442 504 HG3 GLN 62 1HG GLN 62 -1.785 -12.196 -7.234 505 HE21 GLN 62 1HE2 GLN 62 -1.939 -14.145 -10.097 506 HE22 GLN 62 2HE2 GLN 62 -0.294 -14.024 -10.534 507 H GLY 63 H GLY 63 -4.131 -17.509 -7.416 508 HA2 GLY 63 2HA GLY 63 -4.435 -19.263 -5.878 509 HA3 GLY 63 1HA GLY 63 -2.953 -18.789 -5.078 510 H GLU 64 H GLU 64 -3.504 -18.337 -3.022 511 HA GLU 64 HA GLU 64 -5.254 -16.021 -2.535 512 HB2 GLU 64 2HB GLU 64 -6.486 -18.103 -1.942 513 HB3 GLU 64 1HB GLU 64 -5.200 -18.564 -0.841 514 HG2 GLU 64 2HG GLU 64 -5.706 -16.401 0.427 515 HG3 GLU 64 1HG GLU 64 -7.144 -16.247 -0.582 516 H PHE 65 H PHE 65 -4.683 -14.825 -0.640 517 HA PHE 65 HA PHE 65 -1.934 -14.544 -0.053 518 HB2 PHE 65 2HB PHE 65 -3.154 -12.586 0.398 519 HB3 PHE 65 1HB PHE 65 -4.470 -13.443 1.172 520 HD1 PHE 65 1HD PHE 65 -0.847 -12.548 1.726 521 HD2 PHE 65 2HD PHE 65 -4.627 -13.460 3.529 522 HE1 PHE 65 1HE PHE 65 0.095 -12.163 3.945 523 HE2 PHE 65 2HE PHE 65 -3.665 -13.033 5.745 524 HZ PHE 65 HZ PHE 65 -1.301 -12.396 5.956 525 H LYS 66 H LYS 66 -0.673 -15.798 1.219 526 HA LYS 66 HA LYS 66 -1.925 -17.474 3.337 527 HB2 LYS 66 2HB LYS 66 0.507 -18.248 1.663 528 HB3 LYS 66 1HB LYS 66 -0.257 -19.228 2.910 529 HG2 LYS 66 2HG LYS 66 -1.335 -18.526 0.166 530 HG3 LYS 66 1HG LYS 66 -0.886 -20.117 0.781 531 HD2 LYS 66 2HD LYS 66 -3.240 -18.434 1.723 532 HD3 LYS 66 1HD LYS 66 -3.338 -19.823 0.644 533 HE2 LYS 66 2HE LYS 66 -2.559 -21.295 2.466 534 HE3 LYS 66 1HE LYS 66 -2.422 -19.902 3.546 535 HZ1 LYS 66 3HZ LYS 66 -4.498 -21.081 3.910 536 HZ2 LYS 66 1HZ LYS 66 -4.929 -20.890 2.285 537 HZ3 LYS 66 2HZ LYS 66 -4.815 -19.538 3.294 538 H GLU 67 H GLU 67 0.625 -15.267 2.444 539 HA GLU 67 HA GLU 67 1.796 -15.209 5.094 540 HB2 GLU 67 2HB GLU 67 2.804 -17.255 4.194 541 HB3 GLU 67 1HB GLU 67 3.178 -16.463 2.673 542 HG2 GLU 67 2HG GLU 67 5.205 -16.684 3.812 543 HG3 GLU 67 1HG GLU 67 4.782 -14.990 3.926 544 H PHE 68 H PHE 68 3.273 -13.470 5.326 545 HA PHE 68 HA PHE 68 3.382 -11.518 3.115 546 HB2 PHE 68 2HB PHE 68 3.715 -11.208 6.122 547 HB3 PHE 68 1HB PHE 68 4.225 -9.948 5.005 548 HD1 PHE 68 2HD PHE 68 2.197 -9.810 3.004 549 HD2 PHE 68 1HD PHE 68 1.703 -10.490 7.201 550 HE1 PHE 68 2HE PHE 68 -0.082 -8.936 2.872 551 HE2 PHE 68 1HE PHE 68 -0.584 -9.607 7.054 552 HZ PHE 68 HZ PHE 68 -1.483 -8.820 4.900 553 H GLY 69 H GLY 69 5.441 -10.259 3.061 554 HA2 GLY 69 2HA GLY 69 7.782 -12.074 3.101 555 HA3 GLY 69 1HA GLY 69 7.272 -11.257 1.639 556 H LYS 70 H LYS 70 9.458 -10.461 1.710 557 HA LYS 70 HA LYS 70 10.491 -8.805 3.749 558 HB2 LYS 70 2HB LYS 70 11.861 -10.004 2.057 559 HB3 LYS 70 1HB LYS 70 11.233 -8.940 0.801 560 HG2 LYS 70 2HG LYS 70 12.295 -7.005 1.906 561 HG3 LYS 70 1HG LYS 70 12.902 -8.064 3.185 562 HD2 LYS 70 2HD LYS 70 14.216 -9.320 1.488 563 HD3 LYS 70 1HD LYS 70 13.634 -8.218 0.237 564 HE2 LYS 70 2HE LYS 70 14.738 -6.337 1.400 565 HE3 LYS 70 1HE LYS 70 15.327 -7.450 2.638 566 HZ1 LYS 70 3HZ LYS 70 16.012 -7.573 -0.252 567 HZ2 LYS 70 1HZ LYS 70 16.601 -8.607 0.952 568 HZ3 LYS 70 2HZ LYS 70 17.012 -6.967 0.967 569 H CYS 71 H CYS 71 10.634 -6.587 3.905 570 HA CYS 71 HA CYS 71 8.738 -5.000 2.272 571 HB2 CYS 71 2HB CYS 71 9.383 -4.446 5.163 572 HB3 CYS 71 1HB CYS 71 8.092 -3.767 4.198 573 HG CYS 71 HG CYS 71 7.487 -6.890 4.057 574 H THR 72 H THR 72 10.053 -3.991 0.923 575 HA THR 72 HA THR 72 12.486 -2.609 1.844 576 HB THR 72 HB THR 72 11.400 -2.828 -0.977 577 HG1 THR 72 1HG THR 72 13.411 -4.439 0.253 578 HG21 THR 72 3HG2 THR 72 13.015 -1.003 -0.708 579 HG22 THR 72 1HG2 THR 72 13.732 -2.316 -1.647 580 HG23 THR 72 2HG2 THR 72 14.165 -2.113 0.053 581 H TYR 73 H TYR 73 12.053 -0.671 2.647 582 HA TYR 73 HA TYR 73 9.547 0.670 2.150 583 HB2 TYR 73 2HB TYR 73 11.765 1.693 3.979 584 HB3 TYR 73 1HB TYR 73 10.072 2.115 3.966 585 HD1 TYR 73 1HD TYR 73 8.393 0.685 4.909 586 HD2 TYR 73 2HD TYR 73 12.504 -0.449 4.912 587 HE1 TYR 73 1HE TYR 73 7.900 -1.115 6.538 588 HE2 TYR 73 2HE TYR 73 12.015 -2.262 6.483 589 HH TYR 73 HH TYR 73 10.293 -2.786 8.197 590 H LEU 74 H LEU 74 9.273 2.658 1.386 591 HA LEU 74 HA LEU 74 11.420 3.806 -0.302 592 HB2 LEU 74 2HB LEU 74 8.449 4.495 -0.358 593 HB3 LEU 74 1HB LEU 74 9.661 4.913 -1.546 594 HG LEU 74 HG LEU 74 8.200 3.283 -2.461 595 HD11 LEU 74 1HD1 LEU 74 9.691 1.514 -3.176 596 HD12 LEU 74 2HD1 LEU 74 10.788 1.861 -1.834 597 HD13 LEU 74 3HD1 LEU 74 10.549 3.055 -3.120 598 HD21 LEU 74 3HD2 LEU 74 8.772 1.411 -0.193 599 HD22 LEU 74 1HD2 LEU 74 7.817 1.040 -1.631 600 HD23 LEU 74 2HD2 LEU 74 7.261 2.266 -0.498 601 H GLY 75 H GLY 75 11.712 6.037 -0.218 602 HA2 GLY 75 2HA GLY 75 10.326 7.580 1.910 603 HA3 GLY 75 1HA GLY 75 12.028 7.836 1.476 604 H GLN 76 H GLN 76 9.851 9.745 1.262 605 HA GLN 76 HA GLN 76 10.502 10.723 -1.319 606 HB2 GLN 76 2HB GLN 76 7.758 10.895 -1.750 607 HB3 GLN 76 1HB GLN 76 8.799 9.696 -2.502 608 HG2 GLN 76 2HG GLN 76 8.161 8.065 -0.787 609 HG3 GLN 76 1HG GLN 76 7.193 9.278 0.036 610 HE21 GLN 76 1HE2 GLN 76 5.301 8.133 -0.119 611 HE22 GLN 76 2HE2 GLN 76 4.464 7.849 -1.603 612 H ILE 77 H ILE 77 10.013 12.879 -1.572 613 HA ILE 77 HA ILE 77 8.164 14.270 0.245 614 HB ILE 77 HB ILE 77 10.777 15.654 -0.548 615 HG12 ILE 77 2HG1 ILE 77 11.374 15.352 2.011 616 HG13 ILE 77 1HG1 ILE 77 10.340 13.937 1.917 617 HG21 ILE 77 1HG2 ILE 77 8.823 17.046 0.102 618 HG22 ILE 77 2HG2 ILE 77 10.186 17.239 1.209 619 HG23 ILE 77 3HG2 ILE 77 8.802 16.246 1.683 620 HD11 ILE 77 3HD1 ILE 77 11.774 13.010 0.172 621 HD12 ILE 77 1HD1 ILE 77 12.662 13.366 1.659 622 HD13 ILE 77 2HD1 ILE 77 12.807 14.448 0.275 623 H LYS 78 H LYS 78 6.856 15.477 -0.962 624 HA LYS 78 HA LYS 78 7.130 15.460 -3.862 625 HB2 LYS 78 2HB LYS 78 4.786 16.025 -3.893 626 HB3 LYS 78 1HB LYS 78 4.992 14.803 -2.659 627 HG2 LYS 78 2HG LYS 78 4.801 16.461 -0.898 628 HG3 LYS 78 1HG LYS 78 4.772 17.776 -2.073 629 HD2 LYS 78 2HD LYS 78 2.647 15.622 -1.747 630 HD3 LYS 78 1HD LYS 78 2.523 17.292 -1.191 631 HE2 LYS 78 2HE LYS 78 2.695 18.045 -3.570 632 HE3 LYS 78 1HE LYS 78 2.698 16.352 -4.075 633 HZ1 LYS 78 3HZ LYS 78 0.495 17.325 -4.229 634 HZ2 LYS 78 1HZ LYS 78 0.510 17.701 -2.577 635 HZ3 LYS 78 2HZ LYS 78 0.517 16.087 -3.080 636 H ASP 79 H ASP 79 5.524 17.994 -4.107 637 HA ASP 79 HA ASP 79 7.171 20.121 -4.366 638 HB2 ASP 79 2HB ASP 79 4.737 20.028 -4.932 639 HB3 ASP 79 1HB ASP 79 4.334 20.187 -3.237 640 H ASN 80 H ASN 80 5.508 19.189 -1.349 641 HA ASN 80 HA ASN 80 7.394 20.743 0.259 642 HB2 ASN 80 2HB ASN 80 5.606 21.915 1.457 643 HB3 ASN 80 1HB ASN 80 5.549 22.286 -0.262 644 HD21 ASN 80 1HD2 ASN 80 3.471 22.319 1.866 645 HD22 ASN 80 2HD2 ASN 80 2.201 21.360 1.229 646 H LYS 81 H LYS 81 5.157 18.087 0.109 647 HA LYS 81 HA LYS 81 5.167 17.714 3.030 648 HB2 LYS 81 2HB LYS 81 3.205 17.161 0.863 649 HB3 LYS 81 1HB LYS 81 3.335 15.862 2.018 650 HG2 LYS 81 2HG LYS 81 2.900 18.652 3.031 651 HG3 LYS 81 1HG LYS 81 1.566 17.759 2.315 652 HD2 LYS 81 2HD LYS 81 1.457 17.432 4.703 653 HD3 LYS 81 1HD LYS 81 1.963 15.908 3.979 654 HE2 LYS 81 2HE LYS 81 4.308 16.407 4.625 655 HE3 LYS 81 1HE LYS 81 3.772 17.924 5.348 656 HZ1 LYS 81 3HZ LYS 81 4.026 16.278 7.037 657 HZ2 LYS 81 1HZ LYS 81 3.019 15.189 6.219 658 HZ3 LYS 81 2HZ LYS 81 2.374 16.608 6.862 659 H LYS 82 H LYS 82 5.786 15.743 3.918 660 HA LYS 82 HA LYS 82 7.638 14.172 2.316 661 HB2 LYS 82 2HB LYS 82 8.282 15.586 4.342 662 HB3 LYS 82 1HB LYS 82 7.394 14.431 5.329 663 HG2 LYS 82 2HG LYS 82 8.889 12.668 4.702 664 HG3 LYS 82 1HG LYS 82 9.705 13.713 3.532 665 HD2 LYS 82 2HD LYS 82 10.284 15.253 5.489 666 HD3 LYS 82 1HD LYS 82 9.703 13.975 6.555 667 HE2 LYS 82 2HE LYS 82 11.375 12.449 5.589 668 HE3 LYS 82 1HE LYS 82 11.948 13.762 4.555 669 HZ1 LYS 82 3HZ LYS 82 11.971 13.809 7.529 670 HZ2 LYS 82 1HZ LYS 82 12.588 15.003 6.505 671 HZ3 LYS 82 2HZ LYS 82 13.321 13.479 6.564 672 H TYR 83 H TYR 83 7.507 11.932 2.338 673 HA TYR 83 HA TYR 83 5.083 10.586 3.314 674 HB2 TYR 83 2HB TYR 83 6.047 10.636 0.417 675 HB3 TYR 83 1HB TYR 83 4.746 9.625 1.010 676 HD1 TYR 83 2HD TYR 83 2.602 10.627 1.661 677 HD2 TYR 83 1HD TYR 83 5.702 13.022 0.008 678 HE1 TYR 83 2HE TYR 83 1.002 12.416 1.274 679 HE2 TYR 83 1HE TYR 83 4.100 14.813 -0.350 680 HH TYR 83 HH TYR 83 0.950 14.823 1.000 681 H GLY 84 H GLY 84 5.311 8.329 3.529 682 HA2 GLY 84 2HA GLY 84 7.973 7.119 2.994 683 HA3 GLY 84 1HA GLY 84 7.139 6.911 4.533 684 H GLY 85 H GLY 85 7.930 5.082 2.170 685 HA2 GLY 85 2HA GLY 85 5.299 3.829 1.635 686 HA3 GLY 85 1HA GLY 85 6.678 3.779 0.556 687 H VAL 86 H VAL 86 5.391 1.496 1.199 688 HA VAL 86 HA VAL 86 7.669 -0.025 2.237 689 HB VAL 86 HB VAL 86 6.459 0.105 4.259 690 HG11 VAL 86 1HG1 VAL 86 4.043 -0.310 4.524 691 HG12 VAL 86 2HG1 VAL 86 3.886 -0.545 2.780 692 HG13 VAL 86 3HG1 VAL 86 4.353 1.034 3.423 693 HG21 VAL 86 3HG2 VAL 86 5.692 -2.185 4.748 694 HG22 VAL 86 1HG2 VAL 86 7.173 -2.197 3.781 695 HG23 VAL 86 2HG2 VAL 86 5.617 -2.540 3.019 696 H ILE 87 H ILE 87 8.143 -1.309 0.569 697 HA ILE 87 HA ILE 87 6.072 -2.517 -1.144 698 HB ILE 87 HB ILE 87 9.121 -2.776 -1.306 699 HG12 ILE 87 2HG1 ILE 87 7.268 -1.437 -3.317 700 HG13 ILE 87 1HG1 ILE 87 8.053 -0.554 -2.033 701 HG21 ILE 87 1HG2 ILE 87 8.777 -3.989 -3.444 702 HG22 ILE 87 2HG2 ILE 87 7.030 -3.929 -3.203 703 HG23 ILE 87 3HG2 ILE 87 8.041 -4.859 -2.096 704 HD11 ILE 87 3HD1 ILE 87 9.258 -0.308 -4.112 705 HD12 ILE 87 1HD1 ILE 87 9.420 -2.058 -4.262 706 HD13 ILE 87 2HD1 ILE 87 10.241 -1.202 -2.955 707 H ILE 88 H ILE 88 5.059 -3.838 0.350 708 HA ILE 88 HA ILE 88 6.709 -5.832 1.769 709 HB ILE 88 HB ILE 88 5.293 -4.693 3.323 710 HG12 ILE 88 2HG1 ILE 88 3.974 -7.388 2.743 711 HG13 ILE 88 1HG1 ILE 88 5.486 -7.169 3.619 712 HG21 ILE 88 1HG2 ILE 88 2.911 -5.272 1.547 713 HG22 ILE 88 2HG2 ILE 88 3.669 -3.700 1.812 714 HG23 ILE 88 3HG2 ILE 88 2.848 -4.515 3.144 715 HD11 ILE 88 3HD1 ILE 88 2.765 -6.196 4.498 716 HD12 ILE 88 1HD1 ILE 88 4.281 -5.935 5.368 717 HD13 ILE 88 2HD1 ILE 88 3.662 -7.571 5.144 718 H VAL 89 H VAL 89 7.067 -7.467 0.492 719 HA VAL 89 HA VAL 89 5.536 -8.535 -1.551 720 HB VAL 89 HB VAL 89 7.652 -9.766 0.276 721 HG11 VAL 89 1HG1 VAL 89 6.267 -11.160 -2.038 722 HG12 VAL 89 2HG1 VAL 89 6.166 -11.614 -0.331 723 HG13 VAL 89 3HG1 VAL 89 7.702 -11.761 -1.186 724 HG21 VAL 89 3HG2 VAL 89 7.669 -9.271 -2.704 725 HG22 VAL 89 1HG2 VAL 89 9.047 -9.732 -1.692 726 HG23 VAL 89 2HG2 VAL 89 8.323 -8.128 -1.508 727 H VAL 90 H VAL 90 3.917 -9.888 -1.638 728 HA VAL 90 HA VAL 90 3.038 -11.255 0.824 729 HB VAL 90 HB VAL 90 1.363 -10.373 -1.571 730 HG11 VAL 90 1HG1 VAL 90 -0.516 -11.432 -0.465 731 HG12 VAL 90 2HG1 VAL 90 0.543 -12.048 0.807 732 HG13 VAL 90 3HG1 VAL 90 0.726 -12.619 -0.856 733 HG21 VAL 90 3HG2 VAL 90 0.057 -9.128 -0.014 734 HG22 VAL 90 1HG2 VAL 90 1.754 -8.663 0.228 735 HG23 VAL 90 2HG2 VAL 90 0.970 -9.796 1.361 736 H LYS 91 H LYS 91 3.203 -13.346 0.758 737 HA LYS 91 HA LYS 91 3.871 -14.731 -1.749 738 HB2 LYS 91 2HB LYS 91 3.791 -15.870 1.063 739 HB3 LYS 91 1HB LYS 91 4.400 -16.669 -0.386 740 HG2 LYS 91 2HG LYS 91 6.175 -14.884 -0.532 741 HG3 LYS 91 1HG LYS 91 5.599 -14.260 1.021 742 HD2 LYS 91 2HD LYS 91 6.055 -16.569 2.001 743 HD3 LYS 91 1HD LYS 91 6.824 -16.998 0.469 744 HE2 LYS 91 2HE LYS 91 8.466 -15.180 0.802 745 HE3 LYS 91 1HE LYS 91 7.688 -14.765 2.332 746 HZ1 LYS 91 3HZ LYS 91 8.236 -16.971 3.159 747 HZ2 LYS 91 1HZ LYS 91 9.628 -16.132 2.694 748 HZ3 LYS 91 2HZ LYS 91 9.007 -17.355 1.703 749 H TYR 92 H TYR 92 1.789 -14.331 -2.614 750 HA TYR 92 HA TYR 92 -0.482 -15.875 -1.810 751 HB2 TYR 92 2HB TYR 92 0.356 -14.704 -4.499 752 HB3 TYR 92 1HB TYR 92 -1.144 -15.580 -4.270 753 HD1 TYR 92 1HD TYR 92 -2.935 -14.630 -2.856 754 HD2 TYR 92 2HD TYR 92 0.554 -12.384 -3.770 755 HE1 TYR 92 1HE TYR 92 -4.104 -12.597 -2.192 756 HE2 TYR 92 2HE TYR 92 -0.608 -10.318 -3.063 757 HH TYR 92 HH TYR 92 -3.567 -10.394 -1.373 758 H GLU 93 H GLU 93 -1.191 -17.838 -2.986 759 HA GLU 93 HA GLU 93 0.557 -19.947 -2.721 760 HB2 GLU 93 2HB GLU 93 -2.014 -19.641 -4.279 761 HB3 GLU 93 1HB GLU 93 -1.249 -21.185 -4.081 762 HG2 GLU 93 2HG GLU 93 -1.437 -20.903 -1.590 763 HG3 GLU 93 1HG GLU 93 -2.342 -19.417 -1.891 764 H GLU 94 H GLU 94 -0.027 -18.019 -5.593 765 HA GLU 94 HA GLU 94 1.880 -19.597 -7.202 766 HB2 GLU 94 2HB GLU 94 -0.672 -18.314 -8.264 767 HB3 GLU 94 1HB GLU 94 0.483 -19.276 -9.188 768 HG2 GLU 94 2HG GLU 94 -0.116 -21.243 -7.744 769 HG3 GLU 94 1HG GLU 94 -1.363 -20.255 -6.984 770 H GLY 95 H GLY 95 1.433 -16.603 -5.763 771 HA2 GLY 95 2HA GLY 95 3.112 -15.242 -7.782 772 HA3 GLY 95 1HA GLY 95 1.549 -14.541 -7.419 773 H ASN 96 H ASN 96 4.407 -13.570 -6.948 774 HA ASN 96 HA ASN 96 3.864 -12.635 -4.186 775 HB2 ASN 96 2HB ASN 96 6.130 -11.807 -6.011 776 HB3 ASN 96 1HB ASN 96 5.892 -11.254 -4.391 777 HD21 ASN 96 1HD2 ASN 96 5.393 -13.466 -2.985 778 HD22 ASN 96 2HD2 ASN 96 6.777 -14.479 -3.036 779 H VAL 97 H VAL 97 2.263 -11.186 -4.246 780 HA VAL 97 HA VAL 97 2.500 -8.961 -6.181 781 HB VAL 97 HB VAL 97 0.198 -9.500 -4.255 782 HG11 VAL 97 1HG1 VAL 97 -1.002 -7.735 -5.531 783 HG12 VAL 97 2HG1 VAL 97 0.473 -7.419 -6.450 784 HG13 VAL 97 3HG1 VAL 97 0.431 -7.115 -4.711 785 HG21 VAL 97 3HG2 VAL 97 0.244 -11.196 -6.031 786 HG22 VAL 97 1HG2 VAL 97 0.282 -9.929 -7.263 787 HG23 VAL 97 2HG2 VAL 97 -1.139 -10.119 -6.227 788 H ASN 98 H ASN 98 3.853 -7.557 -5.446 789 HA ASN 98 HA ASN 98 4.482 -7.402 -2.586 790 HB2 ASN 98 2HB ASN 98 5.914 -6.000 -4.910 791 HB3 ASN 98 1HB ASN 98 6.554 -6.348 -3.305 792 HD21 ASN 98 1HD2 ASN 98 7.702 -7.053 -5.836 793 HD22 ASN 98 2HD2 ASN 98 7.819 -8.770 -5.895 794 H TYR 99 H TYR 99 2.682 -6.212 -1.870 795 HA TYR 99 HA TYR 99 1.632 -3.929 -3.230 796 HB2 TYR 99 2HB TYR 99 1.223 -5.029 -0.419 797 HB3 TYR 99 1HB TYR 99 0.404 -3.580 -0.991 798 HD1 TYR 99 1HD TYR 99 -1.271 -3.738 -2.782 799 HD2 TYR 99 2HD TYR 99 0.504 -7.257 -1.180 800 HE1 TYR 99 1HE TYR 99 -3.104 -5.064 -3.722 801 HE2 TYR 99 2HE TYR 99 -1.325 -8.603 -2.117 802 HH TYR 99 HH TYR 99 -3.609 -8.347 -2.865 803 H SER 100 H SER 100 2.683 -2.032 -3.413 804 HA SER 100 HA SER 100 4.516 -1.079 -1.329 805 HB2 SER 100 2HB SER 100 5.347 -1.158 -3.691 806 HB3 SER 100 1HB SER 100 4.108 0.002 -4.133 807 HG SER 100 HG SER 100 6.475 0.562 -3.284 808 H LEU 101 H LEU 101 3.224 -0.173 0.182 809 HA LEU 101 HA LEU 101 1.142 1.745 -0.669 810 HB2 LEU 101 2HB LEU 101 1.351 0.497 2.086 811 HB3 LEU 101 1HB LEU 101 -0.016 1.309 1.360 812 HG LEU 101 HG LEU 101 0.367 -0.767 -0.429 813 HD11 LEU 101 1HD1 LEU 101 0.981 -1.888 2.262 814 HD12 LEU 101 2HD1 LEU 101 2.101 -1.715 0.903 815 HD13 LEU 101 3HD1 LEU 101 0.705 -2.793 0.764 816 HD21 LEU 101 3HD2 LEU 101 -1.816 -0.177 0.509 817 HD22 LEU 101 1HD2 LEU 101 -1.401 -1.043 1.994 818 HD23 LEU 101 2HD2 LEU 101 -1.512 -1.920 0.453 819 H ALA 102 H ALA 102 1.659 3.728 -0.477 820 HA ALA 102 HA ALA 102 3.694 4.670 1.467 821 HB1 ALA 102 1HB ALA 102 3.414 5.547 -1.432 822 HB2 ALA 102 2HB ALA 102 4.680 4.500 -0.790 823 HB3 ALA 102 3HB ALA 102 4.577 6.181 -0.264 824 H TYR 103 H TYR 103 3.115 6.430 2.571 825 HA TYR 103 HA TYR 103 0.624 7.886 2.043 826 HB2 TYR 103 2HB TYR 103 0.166 7.508 4.646 827 HB3 TYR 103 1HB TYR 103 -0.392 6.367 3.446 828 HD1 TYR 103 2HD TYR 103 2.677 6.871 5.606 829 HD2 TYR 103 1HD TYR 103 -0.149 4.119 3.953 830 HE1 TYR 103 2HE TYR 103 3.701 5.023 6.871 831 HE2 TYR 103 1HE TYR 103 0.867 2.276 5.189 832 HH TYR 103 HH TYR 103 2.929 1.733 6.292 833 H ASP 104 H ASP 104 0.483 9.853 3.603 834 HA ASP 104 HA ASP 104 3.118 11.023 3.935 835 HB2 ASP 104 2HB ASP 104 1.761 12.915 5.140 836 HB3 ASP 104 1HB ASP 104 1.605 12.698 3.407 837 H GLU 105 H GLU 105 3.495 12.289 6.034 838 HA GLU 105 HA GLU 105 4.247 10.593 8.102 839 HB2 GLU 105 2HB GLU 105 3.770 13.598 8.149 840 HB3 GLU 105 1HB GLU 105 4.666 12.709 9.381 841 HG2 GLU 105 2HG GLU 105 6.412 12.153 7.830 842 HG3 GLU 105 1HG GLU 105 5.487 12.754 6.462 843 H ASP 106 H ASP 106 1.214 12.291 7.596 844 HA ASP 106 HA ASP 106 0.174 12.019 10.259 845 HB2 ASP 106 2HB ASP 106 -0.750 13.761 8.804 846 HB3 ASP 106 1HB ASP 106 -1.211 12.569 7.599 847 H MET 107 H MET 107 -1.085 10.482 7.244 848 HA MET 107 HA MET 107 -0.834 7.817 7.908 849 HB2 MET 107 2HB MET 107 -2.253 8.417 9.905 850 HB3 MET 107 1HB MET 107 -3.560 8.859 8.824 851 HG2 MET 107 2HG MET 107 -3.990 6.681 9.763 852 HG3 MET 107 1HG MET 107 -3.642 6.505 8.046 853 HE1 MET 107 3HE MET 107 -0.471 4.356 7.927 854 HE2 MET 107 1HE MET 107 -0.736 6.012 7.387 855 HE3 MET 107 2HE MET 107 -1.981 4.791 7.132 856 H ASN 108 H ASN 108 -1.809 10.152 5.799 857 HA ASN 108 HA ASN 108 -4.079 8.790 4.638 858 HB2 ASN 108 2HB ASN 108 -2.775 11.289 3.562 859 HB3 ASN 108 1HB ASN 108 -4.386 10.687 3.214 860 HD21 ASN 108 1HD2 ASN 108 -2.419 12.463 5.347 861 HD22 ASN 108 2HD2 ASN 108 -3.624 12.937 6.452 862 H LEU 109 H LEU 109 -3.678 7.059 3.313 863 HA LEU 109 HA LEU 109 -1.310 6.534 1.959 864 HB2 LEU 109 2HB LEU 109 -3.972 5.324 1.882 865 HB3 LEU 109 1HB LEU 109 -3.181 5.248 0.315 866 HG LEU 109 HG LEU 109 -2.114 4.087 2.927 867 HD11 LEU 109 1HD1 LEU 109 -3.787 2.729 1.756 868 HD12 LEU 109 2HD1 LEU 109 -2.176 1.989 1.771 869 HD13 LEU 109 3HD1 LEU 109 -2.775 2.799 0.304 870 HD21 LEU 109 3HD2 LEU 109 -0.249 5.032 1.721 871 HD22 LEU 109 1HD2 LEU 109 -0.789 4.269 0.214 872 HD23 LEU 109 2HD2 LEU 109 -0.216 3.275 1.572 873 H VAL 110 H VAL 110 -0.665 6.820 -0.092 874 HA VAL 110 HA VAL 110 -1.841 9.078 -1.532 875 HB VAL 110 HB VAL 110 0.100 9.402 0.432 876 HG11 VAL 110 1HG1 VAL 110 1.870 8.290 -0.812 877 HG12 VAL 110 2HG1 VAL 110 2.237 10.000 -0.598 878 HG13 VAL 110 3HG1 VAL 110 1.665 9.413 -2.159 879 HG21 VAL 110 3HG2 VAL 110 -0.262 11.237 -1.937 880 HG22 VAL 110 1HG2 VAL 110 0.368 11.653 -0.345 881 HG23 VAL 110 2HG2 VAL 110 -1.310 11.151 -0.519 882 H SER 111 H SER 111 0.008 6.183 -1.544 883 HA SER 111 HA SER 111 0.306 6.148 -4.428 884 HB2 SER 111 2HB SER 111 2.831 6.298 -2.710 885 HB3 SER 111 1HB SER 111 2.787 5.960 -4.440 886 HG SER 111 HG SER 111 1.682 8.078 -4.577 887 H PHE 112 H PHE 112 -1.168 4.489 -3.515 888 HA PHE 112 HA PHE 112 0.121 2.033 -2.667 889 HB2 PHE 112 2HB PHE 112 -2.063 2.255 -1.761 890 HB3 PHE 112 1HB PHE 112 -2.759 2.815 -3.271 891 HD1 PHE 112 2HD PHE 112 -1.544 -0.131 -1.405 892 HD2 PHE 112 1HD PHE 112 -3.478 1.156 -4.998 893 HE1 PHE 112 2HE PHE 112 -2.178 -2.434 -1.888 894 HE2 PHE 112 1HE PHE 112 -4.095 -1.175 -5.491 895 HZ PHE 112 HZ PHE 112 -3.450 -2.974 -3.937 896 H THR 113 H THR 113 0.908 0.571 -4.023 897 HA THR 113 HA THR 113 -0.217 0.193 -6.723 898 HB THR 113 HB THR 113 2.104 -0.428 -7.559 899 HG1 THR 113 1HG THR 113 2.862 0.769 -5.093 900 HG21 THR 113 3HG2 THR 113 1.182 1.778 -8.135 901 HG22 THR 113 1HG2 THR 113 2.934 1.847 -7.908 902 HG23 THR 113 2HG2 THR 113 1.857 2.445 -6.644 903 H MET 114 H MET 114 0.516 -2.003 -7.544 904 HA MET 114 HA MET 114 1.206 -3.959 -5.516 905 HB2 MET 114 2HB MET 114 -0.619 -5.480 -6.284 906 HB3 MET 114 1HB MET 114 -1.178 -4.050 -5.437 907 HG2 MET 114 2HG MET 114 -2.634 -4.395 -7.221 908 HG3 MET 114 1HG MET 114 -1.657 -3.040 -7.686 909 HE1 MET 114 3HE MET 114 -1.256 -7.283 -9.463 910 HE2 MET 114 1HE MET 114 -2.337 -6.835 -8.145 911 HE3 MET 114 2HE MET 114 -0.596 -6.891 -7.876 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 12.542 19.082 -2.102 2 H2 GLY 1 2HT GLY 1 12.234 18.268 -3.549 3 H3 GLY 1 3HT GLY 1 13.791 18.268 -2.895 4 HA2 GLY 1 1HA GLY 1 12.998 17.026 -0.969 5 HA3 GLY 1 2HA GLY 1 11.394 17.000 -1.695 6 H GLU 2 H GLU 2 13.772 15.002 -1.095 7 HA GLU 2 HA GLU 2 14.160 13.699 -3.672 8 HB2 GLU 2 2HB GLU 2 16.005 13.784 -2.022 9 HB3 GLU 2 1HB GLU 2 15.007 12.950 -0.846 10 HG2 GLU 2 2HG GLU 2 16.666 11.437 -1.800 11 HG3 GLU 2 1HG GLU 2 15.031 10.912 -2.206 12 H ILE 3 H ILE 3 13.167 11.794 -4.294 13 HA ILE 3 HA ILE 3 11.175 10.585 -2.476 14 HB ILE 3 HB ILE 3 11.677 9.857 -5.409 15 HG12 ILE 3 2HG1 ILE 3 11.032 12.233 -5.349 16 HG13 ILE 3 1HG1 ILE 3 9.743 11.275 -6.046 17 HG21 ILE 3 1HG2 ILE 3 10.507 8.128 -4.116 18 HG22 ILE 3 2HG2 ILE 3 9.430 8.832 -5.327 19 HG23 ILE 3 3HG2 ILE 3 9.279 9.300 -3.631 20 HD11 ILE 3 3HD1 ILE 3 8.871 13.007 -4.641 21 HD12 ILE 3 1HD1 ILE 3 9.820 12.437 -3.268 22 HD13 ILE 3 2HD1 ILE 3 8.518 11.437 -3.922 23 H LEU 4 H LEU 4 12.425 9.397 -1.101 24 HA LEU 4 HA LEU 4 14.936 8.321 -1.838 25 HB2 LEU 4 2HB LEU 4 13.549 7.817 0.797 26 HB3 LEU 4 1HB LEU 4 15.266 7.717 0.441 27 HG LEU 4 HG LEU 4 14.944 10.287 -0.129 28 HD11 LEU 4 1HD1 LEU 4 13.378 11.418 1.275 29 HD12 LEU 4 2HD1 LEU 4 12.694 9.859 1.745 30 HD13 LEU 4 3HD1 LEU 4 12.635 10.383 0.060 31 HD21 LEU 4 3HD2 LEU 4 15.632 10.889 2.128 32 HD22 LEU 4 1HD2 LEU 4 16.441 9.407 1.632 33 HD23 LEU 4 2HD2 LEU 4 15.064 9.332 2.736 34 H LYS 5 H LYS 5 15.608 6.209 -1.144 35 HA LYS 5 HA LYS 5 13.844 4.015 -2.016 36 HB2 LYS 5 2HB LYS 5 15.934 2.816 -2.391 37 HB3 LYS 5 1HB LYS 5 16.019 4.408 -3.149 38 HG2 LYS 5 2HG LYS 5 17.165 5.155 -0.911 39 HG3 LYS 5 1HG LYS 5 17.387 3.426 -0.661 40 HD2 LYS 5 2HD LYS 5 18.655 3.297 -2.795 41 HD3 LYS 5 1HD LYS 5 18.392 5.030 -3.030 42 HE2 LYS 5 2HE LYS 5 19.655 5.461 -0.909 43 HE3 LYS 5 1HE LYS 5 20.010 3.733 -0.808 44 HZ1 LYS 5 3HZ LYS 5 20.806 5.512 -3.054 45 HZ2 LYS 5 1HZ LYS 5 21.189 3.875 -2.886 46 HZ3 LYS 5 2HZ LYS 5 21.825 5.004 -1.805 47 H GLU 6 H GLU 6 13.719 5.292 0.714 48 HA GLU 6 HA GLU 6 14.075 3.209 2.602 49 HB2 GLU 6 2HB GLU 6 16.115 3.951 3.754 50 HB3 GLU 6 1HB GLU 6 16.494 3.567 2.076 51 HG2 GLU 6 2HG GLU 6 16.421 5.982 1.515 52 HG3 GLU 6 1HG GLU 6 16.078 6.362 3.208 53 H LEU 7 H LEU 7 14.072 4.178 4.911 54 HA LEU 7 HA LEU 7 12.068 6.313 4.986 55 HB2 LEU 7 2HB LEU 7 13.108 4.458 7.154 56 HB3 LEU 7 1HB LEU 7 11.877 5.686 7.425 57 HG LEU 7 HG LEU 7 11.649 3.183 5.724 58 HD11 LEU 7 1HD1 LEU 7 11.430 2.809 8.127 59 HD12 LEU 7 2HD1 LEU 7 9.906 2.535 7.290 60 HD13 LEU 7 3HD1 LEU 7 10.150 4.024 8.211 61 HD21 LEU 7 3HD2 LEU 7 9.378 3.802 5.189 62 HD22 LEU 7 1HD2 LEU 7 10.479 5.049 4.613 63 HD23 LEU 7 2HD2 LEU 7 9.531 5.324 6.079 64 HA PRO 8 HA PRO 8 15.173 9.237 6.784 65 HB2 PRO 8 2HB PRO 8 13.869 11.495 6.030 66 HB3 PRO 8 1HB PRO 8 14.872 10.591 4.873 67 HG2 PRO 8 2HG PRO 8 11.876 10.521 5.215 68 HG3 PRO 8 1HG PRO 8 12.834 10.666 3.719 69 HD2 PRO 8 2HD PRO 8 11.830 8.266 4.560 70 HD3 PRO 8 1HD PRO 8 13.341 8.397 3.653 71 H GLU 9 H GLU 9 13.713 11.580 7.797 72 HA GLU 9 HA GLU 9 12.978 10.520 10.342 73 HB2 GLU 9 2HB GLU 9 12.957 13.353 9.241 74 HB3 GLU 9 1HB GLU 9 12.484 12.976 10.891 75 HG2 GLU 9 2HG GLU 9 14.758 13.768 10.880 76 HG3 GLU 9 1HG GLU 9 14.721 12.071 11.343 77 H GLY 10 H GLY 10 11.062 10.572 11.425 78 HA2 GLY 10 2HA GLY 10 8.902 11.336 11.898 79 HA3 GLY 10 1HA GLY 10 8.670 11.737 10.207 80 H PHE 11 H PHE 11 10.022 8.613 10.692 81 HA PHE 11 HA PHE 11 7.361 7.280 10.539 82 HB2 PHE 11 2HB PHE 11 9.690 6.303 8.858 83 HB3 PHE 11 1HB PHE 11 8.002 5.948 8.658 84 HD1 PHE 11 2HD PHE 11 6.504 8.155 8.123 85 HD2 PHE 11 1HD PHE 11 10.657 7.720 7.341 86 HE1 PHE 11 2HE PHE 11 6.380 9.961 6.492 87 HE2 PHE 11 1HE PHE 11 10.522 9.537 5.710 88 HZ PHE 11 HZ PHE 11 8.395 10.649 5.285 89 H ASP 12 H ASP 12 7.748 4.782 10.709 90 HA ASP 12 HA ASP 12 10.115 3.949 12.239 91 HB2 ASP 12 2HB ASP 12 8.308 4.350 13.931 92 HB3 ASP 12 1HB ASP 12 7.254 3.270 13.077 93 H LYS 13 H LYS 13 10.839 1.975 11.457 94 HA LYS 13 HA LYS 13 10.022 0.993 9.016 95 HB2 LYS 13 2HB LYS 13 11.515 -0.468 11.211 96 HB3 LYS 13 1HB LYS 13 11.499 -0.888 9.511 97 HG2 LYS 13 2HG LYS 13 12.556 1.338 9.007 98 HG3 LYS 13 1HG LYS 13 12.689 1.602 10.748 99 HD2 LYS 13 2HD LYS 13 14.817 0.799 9.928 100 HD3 LYS 13 1HD LYS 13 14.088 -0.470 10.916 101 HE2 LYS 13 2HE LYS 13 13.377 -1.661 8.887 102 HE3 LYS 13 1HE LYS 13 14.009 -0.354 7.877 103 HZ1 LYS 13 3HZ LYS 13 15.615 -2.083 9.673 104 HZ2 LYS 13 1HZ LYS 13 16.222 -0.847 8.695 105 HZ3 LYS 13 2HZ LYS 13 15.535 -2.220 7.994 106 H GLU 14 H GLU 14 9.269 -0.252 12.258 107 HA GLU 14 HA GLU 14 7.975 -2.653 11.249 108 HB2 GLU 14 2HB GLU 14 8.143 -1.508 14.067 109 HB3 GLU 14 1HB GLU 14 7.538 -3.119 13.662 110 HG2 GLU 14 2HG GLU 14 9.723 -3.816 12.894 111 HG3 GLU 14 1HG GLU 14 10.352 -2.174 13.024 112 H THR 15 H THR 15 7.028 0.524 12.362 113 HA THR 15 HA THR 15 4.191 0.048 12.474 114 HB THR 15 HB THR 15 5.757 2.678 12.342 115 HG1 THR 15 1HG THR 15 6.281 1.499 14.185 116 HG21 THR 15 3HG2 THR 15 3.734 3.729 13.312 117 HG22 THR 15 1HG2 THR 15 2.878 2.191 13.221 118 HG23 THR 15 2HG2 THR 15 3.363 3.015 11.738 119 H VAL 16 H VAL 16 6.493 1.010 9.998 120 HA VAL 16 HA VAL 16 4.518 1.938 8.114 121 HB VAL 16 HB VAL 16 7.524 1.521 7.864 122 HG11 VAL 16 1HG1 VAL 16 5.646 2.501 5.680 123 HG12 VAL 16 2HG1 VAL 16 6.614 1.028 5.644 124 HG13 VAL 16 3HG1 VAL 16 7.410 2.601 5.619 125 HG21 VAL 16 3HG2 VAL 16 7.572 3.991 7.633 126 HG22 VAL 16 1HG2 VAL 16 6.777 3.517 9.138 127 HG23 VAL 16 2HG2 VAL 16 5.810 4.042 7.759 128 H ARG 17 H ARG 17 6.303 -1.070 8.648 129 HA ARG 17 HA ARG 17 5.272 -2.552 6.471 130 HB2 ARG 17 2HB ARG 17 7.104 -3.406 7.893 131 HB3 ARG 17 1HB ARG 17 5.992 -3.526 9.256 132 HG2 ARG 17 2HG ARG 17 4.619 -5.100 7.600 133 HG3 ARG 17 1HG ARG 17 6.177 -5.244 6.775 134 HD2 ARG 17 2HD ARG 17 5.690 -5.806 9.700 135 HD3 ARG 17 1HD ARG 17 5.742 -7.037 8.442 136 HE ARG 17 HE ARG 17 8.109 -6.119 8.043 137 HH11 ARG 17 1HH1 ARG 17 6.601 -6.360 11.217 138 HH12 ARG 17 2HH1 ARG 17 8.110 -6.526 12.047 139 HH21 ARG 17 1HH2 ARG 17 10.071 -6.313 9.172 140 HH22 ARG 17 2HH2 ARG 17 10.070 -6.499 10.890 141 H LYS 18 H LYS 18 4.147 -2.071 9.787 142 HA LYS 18 HA LYS 18 1.932 -3.748 9.867 143 HB2 LYS 18 2HB LYS 18 3.232 -2.536 11.752 144 HB3 LYS 18 1HB LYS 18 2.255 -1.124 11.389 145 HG2 LYS 18 2HG LYS 18 1.292 -2.211 13.271 146 HG3 LYS 18 1HG LYS 18 0.219 -2.484 11.896 147 HD2 LYS 18 2HD LYS 18 1.050 -4.755 11.623 148 HD3 LYS 18 1HD LYS 18 2.287 -4.498 12.855 149 HE2 LYS 18 2HE LYS 18 -0.702 -4.431 13.389 150 HE3 LYS 18 1HE LYS 18 0.326 -5.842 13.649 151 HZ1 LYS 18 3HZ LYS 18 -0.008 -4.624 15.694 152 HZ2 LYS 18 1HZ LYS 18 0.611 -3.211 15.002 153 HZ3 LYS 18 2HZ LYS 18 1.618 -4.547 15.239 154 H GLN 19 H GLN 19 2.191 -0.312 9.068 155 HA GLN 19 HA GLN 19 -0.612 -0.043 8.318 156 HB2 GLN 19 2HB GLN 19 1.200 1.745 9.454 157 HB3 GLN 19 1HB GLN 19 1.235 2.242 7.777 158 HG2 GLN 19 2HG GLN 19 -1.226 2.079 9.535 159 HG3 GLN 19 1HG GLN 19 -0.345 3.546 9.138 160 HE21 GLN 19 1HE2 GLN 19 -2.494 1.094 7.938 161 HE22 GLN 19 2HE2 GLN 19 -2.946 1.914 6.503 162 H ALA 20 H ALA 20 -0.228 -1.702 6.799 163 HA ALA 20 HA ALA 20 -0.207 -0.836 4.137 164 HB1 ALA 20 1HB ALA 20 1.765 -2.094 3.266 165 HB2 ALA 20 2HB ALA 20 2.268 -2.448 4.923 166 HB3 ALA 20 3HB ALA 20 2.256 -0.781 4.341 167 H MET 21 H MET 21 0.454 -3.447 6.397 168 HA MET 21 HA MET 21 -0.269 -5.690 4.940 169 HB2 MET 21 2HB MET 21 -0.576 -5.235 7.934 170 HB3 MET 21 1HB MET 21 -0.579 -6.806 7.143 171 HG2 MET 21 2HG MET 21 1.769 -6.119 6.274 172 HG3 MET 21 1HG MET 21 1.720 -4.913 7.554 173 HE1 MET 21 3HE MET 21 1.250 -7.375 10.672 174 HE2 MET 21 1HE MET 21 -0.095 -6.850 9.662 175 HE3 MET 21 2HE MET 21 1.147 -5.692 10.148 176 H GLU 22 H GLU 22 -2.351 -3.727 7.075 177 HA GLU 22 HA GLU 22 -4.729 -5.240 6.668 178 HB2 GLU 22 2HB GLU 22 -4.300 -2.398 7.663 179 HB3 GLU 22 1HB GLU 22 -5.872 -3.200 7.657 180 HG2 GLU 22 2HG GLU 22 -4.910 -4.978 9.133 181 HG3 GLU 22 1HG GLU 22 -3.416 -4.048 9.218 182 H ASP 23 H ASP 23 -3.394 -2.320 5.217 183 HA ASP 23 HA ASP 23 -5.576 -1.445 3.668 184 HB2 ASP 23 2HB ASP 23 -2.609 -1.077 3.046 185 HB3 ASP 23 1HB ASP 23 -3.928 -0.033 2.504 186 H ILE 24 H ILE 24 -3.140 -3.863 3.049 187 HA ILE 24 HA ILE 24 -3.638 -4.470 0.329 188 HB ILE 24 HB ILE 24 -2.611 -6.190 2.632 189 HG12 ILE 24 2HG1 ILE 24 -1.057 -4.822 0.395 190 HG13 ILE 24 1HG1 ILE 24 -1.254 -4.157 2.005 191 HG21 ILE 24 1HG2 ILE 24 -1.695 -7.757 0.947 192 HG22 ILE 24 2HG2 ILE 24 -2.498 -6.850 -0.335 193 HG23 ILE 24 3HG2 ILE 24 -3.457 -7.693 0.884 194 HD11 ILE 24 3HD1 ILE 24 0.912 -5.178 1.740 195 HD12 ILE 24 1HD1 ILE 24 0.172 -6.719 1.316 196 HD13 ILE 24 2HD1 ILE 24 -0.029 -6.059 2.941 197 H GLU 25 H GLU 25 -4.961 -5.789 3.369 198 HA GLU 25 HA GLU 25 -6.434 -7.892 2.199 199 HB2 GLU 25 2HB GLU 25 -6.717 -6.653 4.953 200 HB3 GLU 25 1HB GLU 25 -7.385 -8.216 4.470 201 HG2 GLU 25 2HG GLU 25 -5.153 -9.130 4.158 202 HG3 GLU 25 1HG GLU 25 -4.414 -7.561 4.477 203 H ILE 26 H ILE 26 -7.328 -4.689 3.200 204 HA ILE 26 HA ILE 26 -10.147 -4.826 2.839 205 HB ILE 26 HB ILE 26 -8.269 -2.417 2.647 206 HG12 ILE 26 2HG1 ILE 26 -9.742 -3.212 5.195 207 HG13 ILE 26 1HG1 ILE 26 -8.213 -3.983 4.794 208 HG21 ILE 26 1HG2 ILE 26 -10.205 -1.065 3.385 209 HG22 ILE 26 2HG2 ILE 26 -11.232 -2.503 3.359 210 HG23 ILE 26 3HG2 ILE 26 -10.540 -1.885 1.858 211 HD11 ILE 26 3HD1 ILE 26 -7.923 -2.131 6.301 212 HD12 ILE 26 1HD1 ILE 26 -8.616 -1.025 5.115 213 HD13 ILE 26 2HD1 ILE 26 -7.096 -1.866 4.772 214 H ALA 27 H ALA 27 -7.429 -4.318 0.723 215 HA ALA 27 HA ALA 27 -8.884 -3.249 -1.532 216 HB1 ALA 27 1HB ALA 27 -6.036 -4.291 -1.327 217 HB2 ALA 27 2HB ALA 27 -6.545 -2.620 -1.072 218 HB3 ALA 27 3HB ALA 27 -6.706 -3.355 -2.666 219 H GLN 28 H GLN 28 -7.446 -6.380 -0.621 220 HA GLN 28 HA GLN 28 -8.030 -7.909 -2.907 221 HB2 GLN 28 2HB GLN 28 -7.986 -8.837 0.004 222 HB3 GLN 28 1HB GLN 28 -7.863 -9.885 -1.407 223 HG2 GLN 28 2HG GLN 28 -5.679 -9.039 -1.945 224 HG3 GLN 28 1HG GLN 28 -5.826 -7.744 -0.759 225 HE21 GLN 28 1HE2 GLN 28 -7.006 -9.591 1.272 226 HE22 GLN 28 2HE2 GLN 28 -5.681 -10.516 1.867 227 H SER 29 H SER 29 -9.956 -7.023 -0.098 228 HA SER 29 HA SER 29 -12.218 -8.726 -0.751 229 HB2 SER 29 2HB SER 29 -11.900 -6.634 1.437 230 HB3 SER 29 1HB SER 29 -13.181 -7.847 1.326 231 HG SER 29 HG SER 29 -10.775 -8.085 2.424 232 H LYS 30 H LYS 30 -11.237 -6.099 -2.286 233 HA LYS 30 HA LYS 30 -12.007 -4.169 -3.146 234 HB2 LYS 30 2HB LYS 30 -13.829 -4.443 -4.792 235 HB3 LYS 30 1HB LYS 30 -12.607 -5.698 -4.902 236 HG2 LYS 30 2HG LYS 30 -15.170 -6.209 -3.379 237 HG3 LYS 30 1HG LYS 30 -15.153 -6.305 -5.143 238 HD2 LYS 30 2HD LYS 30 -13.508 -8.093 -5.094 239 HD3 LYS 30 1HD LYS 30 -13.268 -7.903 -3.356 240 HE2 LYS 30 2HE LYS 30 -15.574 -8.655 -2.945 241 HE3 LYS 30 1HE LYS 30 -15.837 -8.816 -4.684 242 HZ1 LYS 30 3HZ LYS 30 -15.338 -10.936 -3.654 243 HZ2 LYS 30 1HZ LYS 30 -13.859 -10.348 -3.086 244 HZ3 LYS 30 2HZ LYS 30 -14.121 -10.511 -4.745 245 H ASP 31 H ASP 31 -12.349 -3.668 -0.770 246 HA ASP 31 HA ASP 31 -14.983 -2.524 -0.290 247 HB2 ASP 31 2HB ASP 31 -12.315 -2.218 1.181 248 HB3 ASP 31 1HB ASP 31 -13.778 -1.351 1.642 249 H TYR 32 H TYR 32 -15.436 -0.384 -0.536 250 HA TYR 32 HA TYR 32 -13.687 1.138 -2.364 251 HB2 TYR 32 2HB TYR 32 -16.671 1.622 -2.005 252 HB3 TYR 32 1HB TYR 32 -15.653 2.034 -3.382 253 HD1 TYR 32 2HD TYR 32 -14.283 -0.524 -3.973 254 HD2 TYR 32 1HD TYR 32 -18.340 0.162 -2.824 255 HE1 TYR 32 2HE TYR 32 -14.908 -2.664 -4.962 256 HE2 TYR 32 1HE TYR 32 -18.988 -1.979 -3.850 257 HH TYR 32 HH TYR 32 -16.765 -4.354 -4.718 258 H GLU 33 H GLU 33 -16.249 1.837 0.052 259 HA GLU 33 HA GLU 33 -15.190 4.387 0.754 260 HB2 GLU 33 2HB GLU 33 -17.263 2.652 2.121 261 HB3 GLU 33 1HB GLU 33 -16.883 4.299 2.629 262 HG2 GLU 33 2HG GLU 33 -18.047 3.437 -0.043 263 HG3 GLU 33 1HG GLU 33 -18.889 4.295 1.251 264 H SER 34 H SER 34 -15.104 1.233 2.462 265 HA SER 34 HA SER 34 -13.765 2.085 4.788 266 HB2 SER 34 2HB SER 34 -13.630 -0.664 3.474 267 HB3 SER 34 1HB SER 34 -13.281 -0.294 5.165 268 HG SER 34 HG SER 34 -15.330 -1.009 5.125 269 H TRP 35 H TRP 35 -12.609 1.316 1.620 270 HA TRP 35 HA TRP 35 -9.806 1.077 2.317 271 HB2 TRP 35 2HB TRP 35 -10.993 -0.327 0.588 272 HB3 TRP 35 1HB TRP 35 -11.162 1.116 -0.404 273 HD1 TRP 35 HD TRP 35 -8.085 -0.491 1.402 274 HE1 TRP 35 1HE TRP 35 -6.196 -0.691 -0.312 275 HE3 TRP 35 3HE TRP 35 -10.502 1.422 -2.687 276 HZ2 TRP 35 2HZ TRP 35 -5.786 -0.117 -3.044 277 HZ3 TRP 35 3HZ TRP 35 -9.283 1.553 -4.827 278 HH2 TRP 35 HH TRP 35 -6.962 0.795 -4.999 279 H LYS 36 H LYS 36 -11.948 3.368 0.601 280 HA LYS 36 HA LYS 36 -10.146 5.373 -0.161 281 HB2 LYS 36 2HB LYS 36 -13.086 5.395 0.607 282 HB3 LYS 36 1HB LYS 36 -12.266 6.927 0.334 283 HG2 LYS 36 2HG LYS 36 -11.789 6.359 -1.948 284 HG3 LYS 36 1HG LYS 36 -12.359 4.708 -1.721 285 HD2 LYS 36 2HD LYS 36 -13.990 6.088 -2.952 286 HD3 LYS 36 1HD LYS 36 -14.653 5.485 -1.437 287 HE2 LYS 36 2HE LYS 36 -13.472 8.265 -1.573 288 HE3 LYS 36 1HE LYS 36 -15.104 7.964 -2.160 289 HZ1 LYS 36 3HZ LYS 36 -14.135 7.413 0.596 290 HZ2 LYS 36 1HZ LYS 36 -15.700 7.125 0.022 291 HZ3 LYS 36 2HZ LYS 36 -15.114 8.704 0.126 292 H SER 37 H SER 37 -11.756 4.727 2.917 293 HA SER 37 HA SER 37 -11.185 7.025 4.362 294 HB2 SER 37 2HB SER 37 -12.751 5.229 5.094 295 HB3 SER 37 1HB SER 37 -11.381 4.166 5.407 296 HG SER 37 HG SER 37 -10.675 5.748 6.970 297 H ARG 38 H ARG 38 -9.154 4.213 3.676 298 HA ARG 38 HA ARG 38 -7.046 4.730 5.498 299 HB2 ARG 38 2HB ARG 38 -7.040 3.226 2.849 300 HB3 ARG 38 1HB ARG 38 -5.704 3.204 4.005 301 HG2 ARG 38 2HG ARG 38 -8.518 2.122 4.457 302 HG3 ARG 38 1HG ARG 38 -7.048 1.167 4.218 303 HD2 ARG 38 2HD ARG 38 -6.121 2.158 6.331 304 HD3 ARG 38 1HD ARG 38 -7.652 3.003 6.576 305 HE ARG 38 HE ARG 38 -7.104 0.163 6.907 306 HH11 ARG 38 1HH1 ARG 38 -9.595 2.662 6.865 307 HH12 ARG 38 2HH1 ARG 38 -10.755 1.676 7.702 308 HH21 ARG 38 1HH2 ARG 38 -8.641 -1.089 8.013 309 HH22 ARG 38 2HH2 ARG 38 -10.212 -0.441 8.351 310 H PHE 39 H PHE 39 -7.761 5.908 2.258 311 HA PHE 39 HA PHE 39 -5.190 7.146 1.805 312 HB2 PHE 39 2HB PHE 39 -7.818 7.300 0.272 313 HB3 PHE 39 1HB PHE 39 -6.322 8.057 -0.270 314 HD1 PHE 39 1HD PHE 39 -4.308 6.573 -0.711 315 HD2 PHE 39 2HD PHE 39 -8.249 5.008 -0.241 316 HE1 PHE 39 1HE PHE 39 -3.596 4.480 -1.758 317 HE2 PHE 39 2HE PHE 39 -7.542 2.915 -1.303 318 HZ PHE 39 HZ PHE 39 -5.218 2.644 -2.063 319 H THR 40 H THR 40 -5.106 9.468 1.106 320 HA THR 40 HA THR 40 -6.140 11.344 3.003 321 HB THR 40 HB THR 40 -5.047 13.043 1.774 322 HG1 THR 40 1HG THR 40 -4.556 12.806 -0.511 323 HG21 THR 40 3HG2 THR 40 -2.889 12.249 0.995 324 HG22 THR 40 1HG2 THR 40 -3.521 10.609 0.818 325 HG23 THR 40 2HG2 THR 40 -3.362 11.330 2.426 326 H LYS 41 H LYS 41 -7.720 12.967 2.563 327 HA LYS 41 HA LYS 41 -10.155 12.373 1.405 328 HB2 LYS 41 2HB LYS 41 -8.731 14.949 1.959 329 HB3 LYS 41 1HB LYS 41 -10.360 14.955 1.309 330 HG2 LYS 41 2HG LYS 41 -11.125 13.675 3.302 331 HG3 LYS 41 1HG LYS 41 -9.485 13.722 3.950 332 HD2 LYS 41 2HD LYS 41 -11.227 16.129 3.350 333 HD3 LYS 41 1HD LYS 41 -10.983 15.426 4.952 334 HE2 LYS 41 2HE LYS 41 -8.633 16.016 4.906 335 HE3 LYS 41 1HE LYS 41 -8.755 16.535 3.226 336 HZ1 LYS 41 3HZ LYS 41 -10.195 18.321 3.890 337 HZ2 LYS 41 1HZ LYS 41 -8.758 18.397 4.778 338 HZ3 LYS 41 2HZ LYS 41 -10.165 17.807 5.501 339 H ASP 42 H ASP 42 -7.413 14.062 -0.004 340 HA ASP 42 HA ASP 42 -8.465 14.797 -2.506 341 HB2 ASP 42 2HB ASP 42 -5.679 14.293 -1.452 342 HB3 ASP 42 1HB ASP 42 -5.947 14.874 -3.088 343 H LEU 43 H LEU 43 -6.707 11.855 -1.447 344 HA LEU 43 HA LEU 43 -6.679 10.691 -4.044 345 HB2 LEU 43 2HB LEU 43 -5.854 9.740 -1.341 346 HB3 LEU 43 1HB LEU 43 -6.224 8.517 -2.540 347 HG LEU 43 HG LEU 43 -4.582 9.928 -4.063 348 HD11 LEU 43 1HD1 LEU 43 -3.528 10.693 -1.354 349 HD12 LEU 43 2HD1 LEU 43 -4.223 11.781 -2.559 350 HD13 LEU 43 3HD1 LEU 43 -2.713 10.942 -2.904 351 HD21 LEU 43 3HD2 LEU 43 -2.743 8.477 -3.434 352 HD22 LEU 43 1HD2 LEU 43 -4.265 7.591 -3.461 353 HD23 LEU 43 2HD2 LEU 43 -3.553 8.075 -1.918 354 H GLN 44 H GLN 44 -9.023 10.713 -1.432 355 HA GLN 44 HA GLN 44 -10.540 8.464 -2.226 356 HB2 GLN 44 2HB GLN 44 -11.519 10.979 -0.860 357 HB3 GLN 44 1HB GLN 44 -12.396 9.441 -0.966 358 HG2 GLN 44 2HG GLN 44 -10.418 8.363 0.191 359 HG3 GLN 44 1HG GLN 44 -9.794 9.987 0.468 360 HE21 GLN 44 1HE2 GLN 44 -9.874 9.847 2.653 361 HE22 GLN 44 2HE2 GLN 44 -11.339 9.759 3.522 362 H SER 45 H SER 45 -10.324 11.724 -3.481 363 HA SER 45 HA SER 45 -12.442 11.360 -5.458 364 HB2 SER 45 2HB SER 45 -10.491 13.631 -5.042 365 HB3 SER 45 1HB SER 45 -11.844 13.648 -6.173 366 HG SER 45 HG SER 45 -12.803 12.964 -3.818 367 H SER 46 H SER 46 -9.001 10.938 -5.187 368 HA SER 46 HA SER 46 -8.450 11.088 -8.042 369 HB2 SER 46 2HB SER 46 -6.781 11.896 -6.370 370 HB3 SER 46 1HB SER 46 -6.612 10.255 -5.767 371 HG SER 46 HG SER 46 -6.255 10.233 -8.418 372 H LEU 47 H LEU 47 -9.428 8.644 -5.800 373 HA LEU 47 HA LEU 47 -8.149 6.364 -6.787 374 HB2 LEU 47 2HB LEU 47 -10.815 6.627 -5.407 375 HB3 LEU 47 1HB LEU 47 -10.140 5.078 -5.890 376 HG LEU 47 HG LEU 47 -9.326 6.894 -3.641 377 HD11 LEU 47 1HD1 LEU 47 -10.724 4.976 -3.244 378 HD12 LEU 47 2HD1 LEU 47 -9.163 4.784 -2.451 379 HD13 LEU 47 3HD1 LEU 47 -9.503 3.921 -3.962 380 HD21 LEU 47 3HD2 LEU 47 -7.151 5.782 -3.365 381 HD22 LEU 47 1HD2 LEU 47 -7.206 6.755 -4.837 382 HD23 LEU 47 2HD2 LEU 47 -7.347 4.998 -4.941 383 H THR 48 H THR 48 -8.487 5.076 -8.409 384 HA THR 48 HA THR 48 -10.765 5.533 -10.245 385 HB THR 48 HB THR 48 -9.362 4.383 -11.990 386 HG1 THR 48 1HG THR 48 -7.142 4.059 -11.550 387 HG21 THR 48 3HG2 THR 48 -9.350 6.851 -11.920 388 HG22 THR 48 1HG2 THR 48 -7.766 6.235 -12.398 389 HG23 THR 48 2HG2 THR 48 -8.022 6.826 -10.755 390 H GLU 49 H GLU 49 -12.067 3.817 -10.663 391 HA GLU 49 HA GLU 49 -12.233 1.712 -8.793 392 HB2 GLU 49 2HB GLU 49 -13.586 2.143 -11.457 393 HB3 GLU 49 1HB GLU 49 -14.049 0.897 -10.320 394 HG2 GLU 49 2HG GLU 49 -14.906 2.428 -8.767 395 HG3 GLU 49 1HG GLU 49 -13.990 3.771 -9.430 396 H GLU 50 H GLU 50 -10.746 1.971 -11.962 397 HA GLU 50 HA GLU 50 -10.173 -0.721 -12.484 398 HB2 GLU 50 2HB GLU 50 -9.972 1.121 -14.133 399 HB3 GLU 50 1HB GLU 50 -8.639 1.812 -13.220 400 HG2 GLU 50 2HG GLU 50 -7.317 -0.241 -13.650 401 HG3 GLU 50 1HG GLU 50 -8.646 -0.868 -14.616 402 H SER 51 H SER 51 -8.546 1.704 -10.480 403 HA SER 51 HA SER 51 -6.096 0.407 -10.019 404 HB2 SER 51 2HB SER 51 -6.528 2.794 -9.434 405 HB3 SER 51 1HB SER 51 -7.570 2.274 -8.117 406 HG SER 51 HG SER 51 -5.331 1.012 -7.716 407 H TYR 52 H TYR 52 -9.279 -0.329 -8.688 408 HA TYR 52 HA TYR 52 -8.014 -2.341 -6.935 409 HB2 TYR 52 2HB TYR 52 -9.953 -2.490 -5.611 410 HB3 TYR 52 1HB TYR 52 -9.731 -0.776 -5.891 411 HD1 TYR 52 1HD TYR 52 -11.799 -3.738 -6.809 412 HD2 TYR 52 2HD TYR 52 -11.541 0.543 -6.941 413 HE1 TYR 52 1HE TYR 52 -14.159 -3.606 -7.467 414 HE2 TYR 52 2HE TYR 52 -13.886 0.660 -7.587 415 HH TYR 52 HH TYR 52 -15.608 -0.687 -8.609 416 H ASP 53 H ASP 53 -10.067 -1.957 -9.736 417 HA ASP 53 HA ASP 53 -11.271 -4.565 -9.673 418 HB2 ASP 53 2HB ASP 53 -12.411 -2.560 -10.597 419 HB3 ASP 53 1HB ASP 53 -11.217 -2.450 -11.865 420 H SER 54 H SER 54 -8.830 -3.028 -11.733 421 HA SER 54 HA SER 54 -8.700 -4.929 -13.762 422 HB2 SER 54 2HB SER 54 -7.757 -2.592 -13.823 423 HB3 SER 54 1HB SER 54 -6.422 -3.139 -12.825 424 HG SER 54 HG SER 54 -6.811 -3.401 -15.493 425 H TYR 55 H TYR 55 -6.784 -4.700 -10.749 426 HA TYR 55 HA TYR 55 -5.006 -6.831 -11.454 427 HB2 TYR 55 2HB TYR 55 -3.995 -6.536 -9.309 428 HB3 TYR 55 1HB TYR 55 -4.353 -4.972 -9.988 429 HD1 TYR 55 1HD TYR 55 -6.009 -7.430 -7.608 430 HD2 TYR 55 2HD TYR 55 -5.085 -3.347 -8.473 431 HE1 TYR 55 1HE TYR 55 -6.936 -6.775 -5.451 432 HE2 TYR 55 2HE TYR 55 -6.029 -2.697 -6.305 433 HH TYR 55 HH TYR 55 -6.775 -4.951 -3.880 434 H LEU 56 H LEU 56 -8.121 -6.697 -9.972 435 HA LEU 56 HA LEU 56 -8.111 -8.910 -8.300 436 HB2 LEU 56 2HB LEU 56 -10.386 -7.766 -9.938 437 HB3 LEU 56 1HB LEU 56 -10.632 -9.095 -8.819 438 HG LEU 56 HG LEU 56 -9.642 -6.330 -8.025 439 HD11 LEU 56 1HD1 LEU 56 -11.839 -6.003 -6.988 440 HD12 LEU 56 2HD1 LEU 56 -12.387 -7.546 -7.651 441 HD13 LEU 56 3HD1 LEU 56 -11.969 -6.215 -8.735 442 HD21 LEU 56 3HD2 LEU 56 -10.007 -7.072 -5.710 443 HD22 LEU 56 1HD2 LEU 56 -8.794 -8.062 -6.521 444 HD23 LEU 56 2HD2 LEU 56 -10.430 -8.686 -6.291 445 H LYS 57 H LYS 57 -8.385 -8.850 -11.797 446 HA LYS 57 HA LYS 57 -9.152 -11.537 -12.216 447 HB2 LYS 57 2HB LYS 57 -7.608 -9.676 -14.039 448 HB3 LYS 57 1HB LYS 57 -8.436 -11.147 -14.525 449 HG2 LYS 57 2HG LYS 57 -9.801 -8.685 -13.384 450 HG3 LYS 57 1HG LYS 57 -9.680 -9.080 -15.083 451 HD2 LYS 57 2HD LYS 57 -11.849 -9.784 -14.592 452 HD3 LYS 57 1HD LYS 57 -10.948 -11.288 -14.440 453 HE2 LYS 57 2HE LYS 57 -10.948 -11.056 -11.982 454 HE3 LYS 57 1HE LYS 57 -11.762 -9.490 -12.126 455 HZ1 LYS 57 3HZ LYS 57 -13.660 -10.625 -13.091 456 HZ2 LYS 57 1HZ LYS 57 -13.289 -11.252 -11.566 457 HZ3 LYS 57 2HZ LYS 57 -12.870 -12.112 -12.957 458 H ILE 58 H ILE 58 -6.048 -9.936 -11.933 459 HA ILE 58 HA ILE 58 -4.383 -12.211 -12.503 460 HB ILE 58 HB ILE 58 -3.704 -9.588 -11.073 461 HG12 ILE 58 2HG1 ILE 58 -2.497 -9.048 -13.271 462 HG13 ILE 58 1HG1 ILE 58 -3.353 -10.402 -13.996 463 HG21 ILE 58 1HG2 ILE 58 -1.785 -11.699 -12.122 464 HG22 ILE 58 2HG2 ILE 58 -2.089 -11.306 -10.430 465 HG23 ILE 58 3HG2 ILE 58 -1.316 -10.121 -11.480 466 HD11 ILE 58 3HD1 ILE 58 -4.401 -8.279 -14.516 467 HD12 ILE 58 1HD1 ILE 58 -4.594 -7.927 -12.798 468 HD13 ILE 58 2HD1 ILE 58 -5.475 -9.270 -13.528 469 H LEU 59 H LEU 59 -5.702 -10.668 -9.671 470 HA LEU 59 HA LEU 59 -4.308 -11.835 -7.556 471 HB2 LEU 59 2HB LEU 59 -6.053 -9.891 -7.645 472 HB3 LEU 59 1HB LEU 59 -7.228 -11.125 -7.414 473 HG LEU 59 HG LEU 59 -5.979 -11.756 -5.257 474 HD11 LEU 59 1HD1 LEU 59 -4.670 -9.063 -5.721 475 HD12 LEU 59 2HD1 LEU 59 -3.868 -10.637 -5.690 476 HD13 LEU 59 3HD1 LEU 59 -4.607 -10.002 -4.222 477 HD21 LEU 59 3HD2 LEU 59 -7.296 -9.027 -5.398 478 HD22 LEU 59 1HD2 LEU 59 -7.080 -10.008 -3.943 479 HD23 LEU 59 2HD2 LEU 59 -8.125 -10.578 -5.241 480 H GLU 60 H GLU 60 -7.234 -12.781 -9.259 481 HA GLU 60 HA GLU 60 -7.961 -14.978 -7.727 482 HB2 GLU 60 2HB GLU 60 -8.590 -14.024 -10.526 483 HB3 GLU 60 1HB GLU 60 -9.264 -15.505 -9.928 484 HG2 GLU 60 2HG GLU 60 -10.257 -14.241 -8.004 485 HG3 GLU 60 1HG GLU 60 -9.688 -12.774 -8.784 486 H LYS 61 H LYS 61 -5.435 -14.598 -9.993 487 HA LYS 61 HA LYS 61 -5.072 -17.452 -10.556 488 HB2 LYS 61 2HB LYS 61 -3.576 -15.062 -11.651 489 HB3 LYS 61 1HB LYS 61 -3.517 -16.706 -12.246 490 HG2 LYS 61 2HG LYS 61 -5.831 -16.557 -13.006 491 HG3 LYS 61 1HG LYS 61 -5.974 -14.937 -12.314 492 HD2 LYS 61 2HD LYS 61 -4.121 -14.206 -13.892 493 HD3 LYS 61 1HD LYS 61 -4.231 -15.796 -14.656 494 HE2 LYS 61 2HE LYS 61 -6.445 -13.714 -14.503 495 HE3 LYS 61 1HE LYS 61 -5.511 -14.145 -15.934 496 HZ1 LYS 61 3HZ LYS 61 -7.444 -15.864 -14.476 497 HZ2 LYS 61 1HZ LYS 61 -6.429 -16.427 -15.707 498 HZ3 LYS 61 2HZ LYS 61 -7.592 -15.250 -16.043 499 H GLN 62 H GLN 62 -3.943 -14.844 -8.620 500 HA GLN 62 HA GLN 62 -1.279 -15.700 -8.084 501 HB2 GLN 62 2HB GLN 62 -3.104 -13.846 -6.509 502 HB3 GLN 62 1HB GLN 62 -1.408 -14.053 -6.208 503 HG2 GLN 62 2HG GLN 62 -2.670 -12.841 -8.622 504 HG3 GLN 62 1HG GLN 62 -1.771 -12.000 -7.383 505 HE21 GLN 62 1HE2 GLN 62 -1.600 -14.149 -10.089 506 HE22 GLN 62 2HE2 GLN 62 0.075 -14.016 -10.360 507 H GLY 63 H GLY 63 -4.308 -16.868 -7.018 508 HA2 GLY 63 2HA GLY 63 -4.778 -18.459 -5.366 509 HA3 GLY 63 1HA GLY 63 -3.137 -18.308 -4.776 510 H GLU 64 H GLU 64 -4.789 -18.380 -2.798 511 HA GLU 64 HA GLU 64 -5.774 -15.785 -1.965 512 HB2 GLU 64 2HB GLU 64 -5.465 -18.471 -0.639 513 HB3 GLU 64 1HB GLU 64 -5.834 -17.063 0.345 514 HG2 GLU 64 2HG GLU 64 -7.894 -16.677 -0.866 515 HG3 GLU 64 1HG GLU 64 -7.501 -17.975 -1.991 516 H PHE 65 H PHE 65 -5.042 -14.651 -0.158 517 HA PHE 65 HA PHE 65 -2.208 -14.239 0.071 518 HB2 PHE 65 2HB PHE 65 -3.374 -12.259 0.498 519 HB3 PHE 65 1HB PHE 65 -4.652 -13.063 1.384 520 HD1 PHE 65 2HD PHE 65 -0.981 -12.266 1.702 521 HD2 PHE 65 1HD PHE 65 -4.710 -12.854 3.733 522 HE1 PHE 65 2HE PHE 65 0.084 -11.791 3.845 523 HE2 PHE 65 1HE PHE 65 -3.613 -12.351 5.862 524 HZ PHE 65 HZ PHE 65 -1.218 -11.830 5.920 525 H LYS 66 H LYS 66 -0.826 -15.338 1.341 526 HA LYS 66 HA LYS 66 -1.880 -17.206 3.401 527 HB2 LYS 66 2HB LYS 66 0.647 -17.542 1.714 528 HB3 LYS 66 1HB LYS 66 -0.025 -18.713 2.846 529 HG2 LYS 66 2HG LYS 66 -1.223 -17.845 0.187 530 HG3 LYS 66 1HG LYS 66 -0.488 -19.407 0.563 531 HD2 LYS 66 2HD LYS 66 -3.060 -18.294 1.763 532 HD3 LYS 66 1HD LYS 66 -2.955 -19.549 0.525 533 HE2 LYS 66 2HE LYS 66 -1.788 -21.028 2.154 534 HE3 LYS 66 1HE LYS 66 -1.939 -19.772 3.386 535 HZ1 LYS 66 3HZ LYS 66 -4.357 -19.930 3.137 536 HZ2 LYS 66 1HZ LYS 66 -3.662 -21.389 3.645 537 HZ3 LYS 66 2HZ LYS 66 -4.160 -21.197 2.040 538 H GLU 67 H GLU 67 0.556 -14.792 2.610 539 HA GLU 67 HA GLU 67 1.624 -14.620 5.297 540 HB2 GLU 67 2HB GLU 67 2.750 -16.657 4.651 541 HB3 GLU 67 1HB GLU 67 3.056 -16.068 3.030 542 HG2 GLU 67 2HG GLU 67 5.138 -16.035 4.020 543 HG3 GLU 67 1HG GLU 67 4.640 -14.362 4.095 544 H PHE 68 H PHE 68 3.072 -12.842 5.513 545 HA PHE 68 HA PHE 68 3.382 -11.055 3.177 546 HB2 PHE 68 2HB PHE 68 3.494 -10.489 6.167 547 HB3 PHE 68 1HB PHE 68 4.005 -9.322 4.952 548 HD1 PHE 68 1HD PHE 68 2.063 -9.368 2.886 549 HD2 PHE 68 2HD PHE 68 1.414 -9.828 7.084 550 HE1 PHE 68 1HE PHE 68 -0.225 -8.547 2.621 551 HE2 PHE 68 2HE PHE 68 -0.881 -8.995 6.813 552 HZ PHE 68 HZ PHE 68 -1.706 -8.345 4.582 553 H GLY 69 H GLY 69 5.230 -11.422 2.180 554 HA2 GLY 69 2HA GLY 69 7.565 -12.625 3.327 555 HA3 GLY 69 1HA GLY 69 7.378 -12.002 1.711 556 H LYS 70 H LYS 70 9.198 -10.849 1.508 557 HA LYS 70 HA LYS 70 10.476 -9.331 3.543 558 HB2 LYS 70 2HB LYS 70 11.706 -10.357 1.685 559 HB3 LYS 70 1HB LYS 70 10.838 -9.354 0.523 560 HG2 LYS 70 2HG LYS 70 11.902 -7.335 1.426 561 HG3 LYS 70 1HG LYS 70 12.691 -8.283 2.694 562 HD2 LYS 70 2HD LYS 70 13.979 -9.500 0.968 563 HD3 LYS 70 1HD LYS 70 13.187 -8.551 -0.295 564 HE2 LYS 70 2HE LYS 70 14.174 -6.488 0.689 565 HE3 LYS 70 1HE LYS 70 15.011 -7.480 1.885 566 HZ1 LYS 70 3HZ LYS 70 15.393 -7.613 -1.056 567 HZ2 LYS 70 1HZ LYS 70 16.203 -8.560 0.088 568 HZ3 LYS 70 2HZ LYS 70 16.450 -6.887 0.046 569 H CYS 71 H CYS 71 10.577 -7.114 3.858 570 HA CYS 71 HA CYS 71 8.669 -5.436 2.334 571 HB2 CYS 71 2HB CYS 71 9.123 -5.035 5.272 572 HB3 CYS 71 1HB CYS 71 7.818 -4.433 4.280 573 HG CYS 71 HG CYS 71 7.359 -7.521 3.970 574 H THR 72 H THR 72 10.178 -4.461 1.147 575 HA THR 72 HA THR 72 12.422 -2.946 2.074 576 HB THR 72 HB THR 72 10.666 -2.727 -0.412 577 HG1 THR 72 1HG THR 72 11.793 -4.383 -0.983 578 HG21 THR 72 3HG2 THR 72 11.752 -0.559 -0.156 579 HG22 THR 72 1HG2 THR 72 12.526 -1.441 -1.475 580 HG23 THR 72 2HG2 THR 72 13.322 -1.335 0.099 581 H TYR 73 H TYR 73 12.438 -0.601 2.455 582 HA TYR 73 HA TYR 73 9.819 0.688 2.821 583 HB2 TYR 73 2HB TYR 73 12.291 1.166 4.529 584 HB3 TYR 73 1HB TYR 73 10.748 1.948 4.674 585 HD1 TYR 73 2HD TYR 73 8.671 0.386 5.039 586 HD2 TYR 73 1HD TYR 73 12.696 -0.739 5.911 587 HE1 TYR 73 2HE TYR 73 7.856 -1.368 6.558 588 HE2 TYR 73 1HE TYR 73 11.884 -2.490 7.418 589 HH TYR 73 HH TYR 73 8.669 -3.518 7.498 590 H LEU 74 H LEU 74 9.832 2.952 2.474 591 HA LEU 74 HA LEU 74 11.818 3.870 0.475 592 HB2 LEU 74 2HB LEU 74 8.817 4.078 0.008 593 HB3 LEU 74 1HB LEU 74 10.117 4.377 -1.142 594 HG LEU 74 HG LEU 74 9.380 1.635 -0.033 595 HD11 LEU 74 1HD1 LEU 74 8.460 1.173 -2.226 596 HD12 LEU 74 2HD1 LEU 74 8.723 2.853 -2.704 597 HD13 LEU 74 3HD1 LEU 74 7.589 2.462 -1.403 598 HD21 LEU 74 3HD2 LEU 74 10.807 0.751 -1.813 599 HD22 LEU 74 1HD2 LEU 74 11.715 1.752 -0.685 600 HD23 LEU 74 2HD2 LEU 74 11.277 2.395 -2.269 601 H GLY 75 H GLY 75 11.456 6.179 -0.057 602 HA2 GLY 75 2HA GLY 75 10.184 7.742 2.114 603 HA3 GLY 75 1HA GLY 75 11.866 8.050 1.625 604 H GLN 76 H GLN 76 9.791 9.942 1.514 605 HA GLN 76 HA GLN 76 10.415 11.000 -1.021 606 HB2 GLN 76 2HB GLN 76 7.668 11.272 -1.427 607 HB3 GLN 76 1HB GLN 76 8.663 10.082 -2.237 608 HG2 GLN 76 2HG GLN 76 7.996 8.371 -0.646 609 HG3 GLN 76 1HG GLN 76 7.113 9.544 0.307 610 HE21 GLN 76 1HE2 GLN 76 5.208 8.394 0.173 611 HE22 GLN 76 2HE2 GLN 76 4.287 8.270 -1.287 612 H ILE 77 H ILE 77 10.180 13.254 -0.980 613 HA ILE 77 HA ILE 77 8.609 14.482 1.244 614 HB ILE 77 HB ILE 77 11.175 15.645 0.043 615 HG12 ILE 77 2HG1 ILE 77 11.942 15.416 2.573 616 HG13 ILE 77 1HG1 ILE 77 10.671 14.210 2.670 617 HG21 ILE 77 1HG2 ILE 77 9.604 17.421 0.639 618 HG22 ILE 77 2HG2 ILE 77 10.964 17.426 1.764 619 HG23 ILE 77 3HG2 ILE 77 9.410 16.744 2.257 620 HD11 ILE 77 3HD1 ILE 77 11.784 12.994 0.796 621 HD12 ILE 77 1HD1 ILE 77 12.728 13.127 2.289 622 HD13 ILE 77 2HD1 ILE 77 13.104 14.170 0.921 623 H LYS 78 H LYS 78 7.188 15.985 0.634 624 HA LYS 78 HA LYS 78 6.500 16.258 -2.173 625 HB2 LYS 78 2HB LYS 78 4.761 15.896 -0.487 626 HB3 LYS 78 1HB LYS 78 5.261 17.342 0.380 627 HG2 LYS 78 2HG LYS 78 4.532 18.705 -1.572 628 HG3 LYS 78 1HG LYS 78 3.977 17.228 -2.353 629 HD2 LYS 78 2HD LYS 78 2.100 18.418 -1.302 630 HD3 LYS 78 1HD LYS 78 2.361 16.845 -0.549 631 HE2 LYS 78 2HE LYS 78 3.551 17.955 1.330 632 HE3 LYS 78 1HE LYS 78 3.268 19.521 0.572 633 HZ1 LYS 78 3HZ LYS 78 1.675 19.003 2.336 634 HZ2 LYS 78 1HZ LYS 78 1.135 17.661 1.461 635 HZ3 LYS 78 2HZ LYS 78 0.918 19.219 0.842 636 H ASP 79 H ASP 79 7.181 18.408 0.520 637 HA ASP 79 HA ASP 79 8.794 20.244 -0.971 638 HB2 ASP 79 2HB ASP 79 6.514 21.077 -1.619 639 HB3 ASP 79 1HB ASP 79 6.077 21.193 0.079 640 H ASN 80 H ASN 80 6.629 20.187 1.864 641 HA ASN 80 HA ASN 80 8.958 20.421 3.631 642 HB2 ASN 80 2HB ASN 80 7.765 21.880 5.121 643 HB3 ASN 80 1HB ASN 80 7.638 22.544 3.498 644 HD21 ASN 80 1HD2 ASN 80 5.955 22.930 5.845 645 HD22 ASN 80 2HD2 ASN 80 4.372 22.485 5.353 646 H LYS 81 H LYS 81 6.456 18.459 2.734 647 HA LYS 81 HA LYS 81 6.193 17.166 5.371 648 HB2 LYS 81 2HB LYS 81 4.438 17.263 2.904 649 HB3 LYS 81 1HB LYS 81 4.291 15.910 4.003 650 HG2 LYS 81 2HG LYS 81 3.941 18.803 4.821 651 HG3 LYS 81 1HG LYS 81 2.620 17.709 4.383 652 HD2 LYS 81 2HD LYS 81 3.234 16.204 6.255 653 HD3 LYS 81 1HD LYS 81 4.567 17.275 6.700 654 HE2 LYS 81 2HE LYS 81 2.982 19.054 7.243 655 HE3 LYS 81 1HE LYS 81 1.631 18.053 6.706 656 HZ1 LYS 81 3HZ LYS 81 1.888 18.060 9.109 657 HZ2 LYS 81 1HZ LYS 81 3.440 17.413 8.961 658 HZ3 LYS 81 2HZ LYS 81 2.098 16.508 8.471 659 H LYS 82 H LYS 82 6.987 15.176 5.651 660 HA LYS 82 HA LYS 82 8.325 13.784 3.457 661 HB2 LYS 82 2HB LYS 82 8.416 13.333 6.459 662 HB3 LYS 82 1HB LYS 82 9.096 12.204 5.315 663 HG2 LYS 82 2HG LYS 82 10.997 13.325 5.781 664 HG3 LYS 82 1HG LYS 82 10.428 14.379 4.504 665 HD2 LYS 82 2HD LYS 82 9.663 14.997 7.366 666 HD3 LYS 82 1HD LYS 82 11.302 15.360 6.824 667 HE2 LYS 82 2HE LYS 82 10.405 16.788 5.038 668 HE3 LYS 82 1HE LYS 82 8.760 16.410 5.551 669 HZ1 LYS 82 3HZ LYS 82 9.539 18.539 6.390 670 HZ2 LYS 82 1HZ LYS 82 10.783 17.768 7.232 671 HZ3 LYS 82 2HZ LYS 82 9.169 17.469 7.643 672 H TYR 83 H TYR 83 7.923 11.558 3.158 673 HA TYR 83 HA TYR 83 5.267 10.508 3.867 674 HB2 TYR 83 2HB TYR 83 6.307 10.916 1.020 675 HB3 TYR 83 1HB TYR 83 4.927 9.913 1.406 676 HD1 TYR 83 1HD TYR 83 6.144 13.458 1.738 677 HD2 TYR 83 2HD TYR 83 2.795 10.872 1.322 678 HE1 TYR 83 1HE TYR 83 4.685 15.406 1.502 679 HE2 TYR 83 2HE TYR 83 1.333 12.803 1.074 680 HH TYR 83 HH TYR 83 1.301 15.183 1.717 681 H GLY 84 H GLY 84 5.322 8.348 4.171 682 HA2 GLY 84 2HA GLY 84 7.965 7.005 3.942 683 HA3 GLY 84 1HA GLY 84 6.739 6.671 5.167 684 H GLY 85 H GLY 85 8.105 5.050 2.977 685 HA2 GLY 85 2HA GLY 85 5.692 3.886 1.719 686 HA3 GLY 85 1HA GLY 85 7.204 4.098 0.848 687 H VAL 86 H VAL 86 6.160 1.677 0.846 688 HA VAL 86 HA VAL 86 8.092 -0.008 2.095 689 HB VAL 86 HB VAL 86 6.717 0.232 4.078 690 HG11 VAL 86 1HG1 VAL 86 4.307 -0.262 4.178 691 HG12 VAL 86 2HG1 VAL 86 4.286 -0.530 2.432 692 HG13 VAL 86 3HG1 VAL 86 4.648 1.073 3.075 693 HG21 VAL 86 3HG2 VAL 86 6.068 -2.451 2.818 694 HG22 VAL 86 1HG2 VAL 86 5.973 -2.069 4.541 695 HG23 VAL 86 2HG2 VAL 86 7.535 -2.045 3.716 696 H ILE 87 H ILE 87 8.414 -1.652 0.711 697 HA ILE 87 HA ILE 87 6.263 -2.485 -1.147 698 HB ILE 87 HB ILE 87 9.267 -2.978 -1.410 699 HG12 ILE 87 2HG1 ILE 87 7.519 -1.193 -3.155 700 HG13 ILE 87 1HG1 ILE 87 8.451 -0.578 -1.816 701 HG21 ILE 87 1HG2 ILE 87 8.722 -3.867 -3.665 702 HG22 ILE 87 2HG2 ILE 87 7.002 -3.643 -3.333 703 HG23 ILE 87 3HG2 ILE 87 7.935 -4.810 -2.395 704 HD11 ILE 87 3HD1 ILE 87 9.579 -0.198 -3.920 705 HD12 ILE 87 1HD1 ILE 87 9.550 -1.926 -4.276 706 HD13 ILE 87 2HD1 ILE 87 10.511 -1.317 -2.926 707 H ILE 88 H ILE 88 5.209 -3.775 0.286 708 HA ILE 88 HA ILE 88 6.722 -5.836 1.741 709 HB ILE 88 HB ILE 88 5.358 -4.570 3.227 710 HG12 ILE 88 2HG1 ILE 88 3.850 -7.175 2.720 711 HG13 ILE 88 1HG1 ILE 88 5.386 -7.059 3.571 712 HG21 ILE 88 1HG2 ILE 88 2.948 -5.063 1.452 713 HG22 ILE 88 2HG2 ILE 88 3.808 -3.533 1.650 714 HG23 ILE 88 3HG2 ILE 88 2.940 -4.238 3.012 715 HD11 ILE 88 3HD1 ILE 88 3.583 -7.268 5.131 716 HD12 ILE 88 1HD1 ILE 88 2.760 -5.865 4.450 717 HD13 ILE 88 2HD1 ILE 88 4.304 -5.669 5.290 718 H VAL 89 H VAL 89 7.049 -7.433 0.430 719 HA VAL 89 HA VAL 89 5.574 -8.639 -1.502 720 HB VAL 89 HB VAL 89 7.490 -9.836 0.553 721 HG11 VAL 89 1HG1 VAL 89 6.298 -11.266 -1.850 722 HG12 VAL 89 2HG1 VAL 89 5.998 -11.656 -0.152 723 HG13 VAL 89 3HG1 VAL 89 7.614 -11.875 -0.828 724 HG21 VAL 89 3HG2 VAL 89 8.400 -8.289 -1.181 725 HG22 VAL 89 1HG2 VAL 89 7.793 -9.405 -2.414 726 HG23 VAL 89 2HG2 VAL 89 9.057 -9.929 -1.283 727 H VAL 90 H VAL 90 3.841 -9.734 -1.562 728 HA VAL 90 HA VAL 90 2.759 -10.987 0.877 729 HB VAL 90 HB VAL 90 1.305 -10.188 -1.688 730 HG11 VAL 90 1HG1 VAL 90 0.552 -12.390 -0.922 731 HG12 VAL 90 2HG1 VAL 90 -0.692 -11.173 -0.667 732 HG13 VAL 90 3HG1 VAL 90 0.266 -11.747 0.700 733 HG21 VAL 90 3HG2 VAL 90 0.674 -9.462 1.169 734 HG22 VAL 90 1HG2 VAL 90 -0.077 -8.827 -0.312 735 HG23 VAL 90 2HG2 VAL 90 1.607 -8.408 0.077 736 H LYS 91 H LYS 91 3.113 -13.004 0.936 737 HA LYS 91 HA LYS 91 3.611 -14.646 -1.421 738 HB2 LYS 91 2HB LYS 91 3.782 -15.113 1.547 739 HB3 LYS 91 1HB LYS 91 3.568 -16.504 0.493 740 HG2 LYS 91 2HG LYS 91 5.843 -14.499 0.259 741 HG3 LYS 91 1HG LYS 91 5.945 -16.066 1.071 742 HD2 LYS 91 2HD LYS 91 5.294 -17.169 -1.108 743 HD3 LYS 91 1HD LYS 91 5.380 -15.585 -1.886 744 HE2 LYS 91 2HE LYS 91 7.775 -15.443 -1.282 745 HE3 LYS 91 1HE LYS 91 7.673 -17.047 -0.540 746 HZ1 LYS 91 3HZ LYS 91 7.137 -16.430 -3.392 747 HZ2 LYS 91 1HZ LYS 91 7.077 -17.958 -2.679 748 HZ3 LYS 91 2HZ LYS 91 8.548 -17.138 -2.790 749 H TYR 92 H TYR 92 1.594 -14.233 -2.402 750 HA TYR 92 HA TYR 92 -0.799 -15.499 -1.479 751 HB2 TYR 92 2HB TYR 92 0.151 -14.752 -4.279 752 HB3 TYR 92 1HB TYR 92 -1.413 -15.488 -3.971 753 HD1 TYR 92 2HD TYR 92 -3.110 -14.247 -2.594 754 HD2 TYR 92 1HD TYR 92 0.459 -12.366 -3.943 755 HE1 TYR 92 2HE TYR 92 -4.113 -12.066 -2.136 756 HE2 TYR 92 1HE TYR 92 -0.550 -10.151 -3.493 757 HH TYR 92 HH TYR 92 -3.240 -9.711 -1.659 758 H GLU 93 H GLU 93 -1.664 -17.495 -2.648 759 HA GLU 93 HA GLU 93 -0.116 -19.693 -1.951 760 HB2 GLU 93 2HB GLU 93 -2.634 -19.517 -2.116 761 HB3 GLU 93 1HB GLU 93 -2.475 -19.634 -3.860 762 HG2 GLU 93 2HG GLU 93 -1.467 -21.860 -3.639 763 HG3 GLU 93 1HG GLU 93 -1.611 -21.752 -1.884 764 H GLU 94 H GLU 94 -0.200 -17.943 -4.926 765 HA GLU 94 HA GLU 94 1.533 -19.867 -6.333 766 HB2 GLU 94 2HB GLU 94 -0.893 -18.496 -7.580 767 HB3 GLU 94 1HB GLU 94 0.212 -19.601 -8.398 768 HG2 GLU 94 2HG GLU 94 -0.553 -21.441 -6.966 769 HG3 GLU 94 1HG GLU 94 -1.609 -20.339 -6.083 770 H GLY 95 H GLY 95 1.237 -16.684 -5.266 771 HA2 GLY 95 2HA GLY 95 3.136 -15.673 -7.308 772 HA3 GLY 95 1HA GLY 95 1.611 -14.834 -7.127 773 H ASN 96 H ASN 96 4.568 -14.087 -6.506 774 HA ASN 96 HA ASN 96 3.986 -12.896 -3.849 775 HB2 ASN 96 2HB ASN 96 6.473 -12.299 -5.488 776 HB3 ASN 96 1HB ASN 96 6.179 -11.922 -3.810 777 HD21 ASN 96 1HD2 ASN 96 8.000 -12.900 -3.052 778 HD22 ASN 96 2HD2 ASN 96 8.254 -14.601 -3.080 779 H VAL 97 H VAL 97 2.584 -11.267 -4.111 780 HA VAL 97 HA VAL 97 3.209 -9.234 -6.170 781 HB VAL 97 HB VAL 97 0.667 -9.388 -4.496 782 HG11 VAL 97 1HG1 VAL 97 1.250 -7.111 -5.212 783 HG12 VAL 97 2HG1 VAL 97 -0.166 -7.677 -6.091 784 HG13 VAL 97 3HG1 VAL 97 1.407 -7.653 -6.884 785 HG21 VAL 97 3HG2 VAL 97 0.745 -11.293 -6.075 786 HG22 VAL 97 1HG2 VAL 97 1.016 -10.174 -7.417 787 HG23 VAL 97 2HG2 VAL 97 -0.507 -10.134 -6.520 788 H ASN 98 H ASN 98 4.365 -7.636 -5.438 789 HA ASN 98 HA ASN 98 4.871 -7.489 -2.559 790 HB2 ASN 98 2HB ASN 98 6.504 -6.177 -4.789 791 HB3 ASN 98 1HB ASN 98 7.027 -6.587 -3.158 792 HD21 ASN 98 1HD2 ASN 98 8.319 -7.335 -5.596 793 HD22 ASN 98 2HD2 ASN 98 8.323 -9.055 -5.679 794 H TYR 99 H TYR 99 3.090 -6.276 -1.969 795 HA TYR 99 HA TYR 99 2.006 -4.051 -3.306 796 HB2 TYR 99 2HB TYR 99 1.716 -5.264 -0.567 797 HB3 TYR 99 1HB TYR 99 0.990 -3.691 -0.859 798 HD1 TYR 99 1HD TYR 99 0.992 -7.243 -2.093 799 HD2 TYR 99 2HD TYR 99 -1.096 -3.524 -1.952 800 HE1 TYR 99 1HE TYR 99 -1.005 -8.321 -3.032 801 HE2 TYR 99 2HE TYR 99 -3.089 -4.601 -2.884 802 HH TYR 99 HH TYR 99 -3.656 -6.575 -4.241 803 H SER 100 H SER 100 3.305 -2.307 -3.739 804 HA SER 100 HA SER 100 4.991 -1.039 -1.788 805 HB2 SER 100 2HB SER 100 4.191 -0.056 -4.548 806 HB3 SER 100 1HB SER 100 5.597 0.443 -3.606 807 HG SER 100 HG SER 100 5.467 -2.266 -3.988 808 H LEU 101 H LEU 101 3.520 -0.469 -0.145 809 HA LEU 101 HA LEU 101 1.436 1.533 -0.648 810 HB2 LEU 101 2HB LEU 101 2.089 -0.296 1.635 811 HB3 LEU 101 1HB LEU 101 1.237 1.174 2.003 812 HG LEU 101 HG LEU 101 -0.303 -0.744 1.657 813 HD11 LEU 101 1HD1 LEU 101 -1.860 0.338 0.251 814 HD12 LEU 101 2HD1 LEU 101 -0.585 1.390 -0.376 815 HD13 LEU 101 3HD1 LEU 101 -1.050 1.465 1.327 816 HD21 LEU 101 3HD2 LEU 101 0.622 -0.771 -1.206 817 HD22 LEU 101 1HD2 LEU 101 -0.691 -1.732 -0.514 818 HD23 LEU 101 2HD2 LEU 101 0.972 -2.022 -0.010 819 H ALA 102 H ALA 102 1.436 3.592 0.387 820 HA ALA 102 HA ALA 102 3.724 4.631 1.790 821 HB1 ALA 102 1HB ALA 102 3.407 5.476 -1.110 822 HB2 ALA 102 2HB ALA 102 4.718 4.498 -0.455 823 HB3 ALA 102 3HB ALA 102 4.544 6.182 0.046 824 H TYR 103 H TYR 103 3.244 6.590 2.746 825 HA TYR 103 HA TYR 103 0.701 7.978 2.213 826 HB2 TYR 103 2HB TYR 103 0.497 7.862 4.938 827 HB3 TYR 103 1HB TYR 103 -0.241 6.694 3.860 828 HD1 TYR 103 2HD TYR 103 3.159 7.117 5.505 829 HD2 TYR 103 1HD TYR 103 -0.071 4.532 4.485 830 HE1 TYR 103 2HE TYR 103 4.333 5.205 6.529 831 HE2 TYR 103 1HE TYR 103 1.076 2.669 5.451 832 HH TYR 103 HH TYR 103 3.224 1.968 6.073 833 H ASP 104 H ASP 104 0.569 9.974 3.878 834 HA ASP 104 HA ASP 104 3.201 11.233 4.147 835 HB2 ASP 104 2HB ASP 104 1.827 13.112 5.247 836 HB3 ASP 104 1HB ASP 104 1.506 12.789 3.556 837 H GLU 105 H GLU 105 3.611 12.370 6.383 838 HA GLU 105 HA GLU 105 4.014 10.444 8.442 839 HB2 GLU 105 2HB GLU 105 4.119 13.486 8.526 840 HB3 GLU 105 1HB GLU 105 4.687 12.442 9.826 841 HG2 GLU 105 2HG GLU 105 6.457 11.565 8.466 842 HG3 GLU 105 1HG GLU 105 5.810 12.321 7.016 843 H ASP 106 H ASP 106 1.377 12.586 7.713 844 HA ASP 106 HA ASP 106 0.140 12.618 10.321 845 HB2 ASP 106 2HB ASP 106 -1.050 13.292 7.588 846 HB3 ASP 106 1HB ASP 106 -1.763 13.693 9.150 847 H MET 107 H MET 107 0.385 10.356 7.835 848 HA MET 107 HA MET 107 -0.128 8.258 7.642 849 HB2 MET 107 2HB MET 107 -0.013 8.177 10.149 850 HB3 MET 107 1HB MET 107 -1.754 8.448 10.205 851 HG2 MET 107 2HG MET 107 -1.237 6.067 10.455 852 HG3 MET 107 1HG MET 107 -2.118 6.379 8.957 853 HE1 MET 107 3HE MET 107 2.323 5.177 9.212 854 HE2 MET 107 1HE MET 107 1.179 5.107 10.552 855 HE3 MET 107 2HE MET 107 1.748 6.669 9.959 856 H ASN 108 H ASN 108 -1.316 9.736 5.954 857 HA ASN 108 HA ASN 108 -3.905 8.341 5.530 858 HB2 ASN 108 2HB ASN 108 -3.383 11.008 4.164 859 HB3 ASN 108 1HB ASN 108 -4.911 10.198 4.455 860 HD21 ASN 108 1HD2 ASN 108 -2.457 12.235 5.754 861 HD22 ASN 108 2HD2 ASN 108 -3.330 12.765 7.115 862 H LEU 109 H LEU 109 -3.726 7.018 3.790 863 HA LEU 109 HA LEU 109 -1.323 6.623 2.470 864 HB2 LEU 109 2HB LEU 109 -4.016 5.446 2.266 865 HB3 LEU 109 1HB LEU 109 -3.047 5.295 0.789 866 HG LEU 109 HG LEU 109 -2.236 4.302 3.562 867 HD11 LEU 109 1HD1 LEU 109 -2.346 2.129 2.516 868 HD12 LEU 109 2HD1 LEU 109 -2.906 2.899 1.019 869 HD13 LEU 109 3HD1 LEU 109 -3.922 2.944 2.472 870 HD21 LEU 109 3HD2 LEU 109 -0.276 5.064 2.323 871 HD22 LEU 109 1HD2 LEU 109 -0.782 4.136 0.902 872 HD23 LEU 109 2HD2 LEU 109 -0.305 3.304 2.395 873 H VAL 110 H VAL 110 -0.631 6.932 0.473 874 HA VAL 110 HA VAL 110 -1.748 9.205 -1.008 875 HB VAL 110 HB VAL 110 0.194 9.570 0.894 876 HG11 VAL 110 1HG1 VAL 110 2.414 9.869 -0.117 877 HG12 VAL 110 2HG1 VAL 110 1.830 9.174 -1.629 878 HG13 VAL 110 3HG1 VAL 110 1.905 8.178 -0.176 879 HG21 VAL 110 3HG2 VAL 110 -1.005 11.331 -0.283 880 HG22 VAL 110 1HG2 VAL 110 0.048 11.132 -1.686 881 HG23 VAL 110 2HG2 VAL 110 0.714 11.700 -0.150 882 H SER 111 H SER 111 -0.166 6.169 -1.017 883 HA SER 111 HA SER 111 -0.201 5.938 -3.874 884 HB2 SER 111 2HB SER 111 2.515 6.052 -2.480 885 HB3 SER 111 1HB SER 111 2.270 5.390 -4.099 886 HG SER 111 HG SER 111 1.193 7.636 -4.365 887 H PHE 112 H PHE 112 -1.650 4.291 -3.068 888 HA PHE 112 HA PHE 112 -0.384 1.819 -2.158 889 HB2 PHE 112 2HB PHE 112 -2.600 1.986 -1.360 890 HB3 PHE 112 1HB PHE 112 -3.232 2.619 -2.856 891 HD1 PHE 112 2HD PHE 112 -3.598 0.967 -4.834 892 HD2 PHE 112 1HD PHE 112 -2.535 -0.417 -0.899 893 HE1 PHE 112 2HE PHE 112 -4.338 -1.296 -5.416 894 HE2 PHE 112 1HE PHE 112 -3.300 -2.656 -1.513 895 HZ PHE 112 HZ PHE 112 -4.197 -3.113 -3.759 896 H THR 113 H THR 113 0.599 0.487 -3.534 897 HA THR 113 HA THR 113 -0.487 0.028 -6.218 898 HB THR 113 HB THR 113 2.010 -0.128 -7.079 899 HG1 THR 113 1HG THR 113 2.264 1.417 -4.733 900 HG21 THR 113 3HG2 THR 113 0.748 2.597 -6.681 901 HG22 THR 113 1HG2 THR 113 0.375 1.466 -7.986 902 HG23 THR 113 2HG2 THR 113 1.984 2.181 -7.870 903 H MET 114 H MET 114 0.332 -1.960 -7.149 904 HA MET 114 HA MET 114 1.701 -3.814 -5.384 905 HB2 MET 114 2HB MET 114 -0.109 -5.567 -6.009 906 HB3 MET 114 1HB MET 114 -0.460 -4.426 -4.733 907 HG2 MET 114 2HG MET 114 -1.831 -3.112 -6.250 908 HG3 MET 114 1HG MET 114 -1.440 -4.192 -7.588 909 HE1 MET 114 3HE MET 114 -1.518 -7.046 -6.389 910 HE2 MET 114 1HE MET 114 -2.401 -6.638 -7.861 911 HE3 MET 114 2HE MET 114 -3.209 -7.507 -6.555 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 11.196 18.920 -1.541 2 H2 GLY 1 2HT GLY 1 10.941 17.260 -1.738 3 H3 GLY 1 3HT GLY 1 11.980 18.079 -2.783 4 HA2 GLY 1 1HA GLY 1 13.492 18.545 -0.951 5 HA3 GLY 1 2HA GLY 1 12.408 17.670 0.125 6 H GLU 2 H GLU 2 14.192 16.270 0.646 7 HA GLU 2 HA GLU 2 15.638 14.733 -1.266 8 HB2 GLU 2 2HB GLU 2 16.439 15.178 1.079 9 HB3 GLU 2 1HB GLU 2 15.179 14.121 1.687 10 HG2 GLU 2 2HG GLU 2 17.355 12.985 1.648 11 HG3 GLU 2 1HG GLU 2 16.202 12.198 0.569 12 H ILE 3 H ILE 3 15.212 12.737 -2.132 13 HA ILE 3 HA ILE 3 12.818 11.252 -1.185 14 HB ILE 3 HB ILE 3 13.885 11.150 -4.056 15 HG12 ILE 3 2HG1 ILE 3 13.118 13.499 -3.486 16 HG13 ILE 3 1HG1 ILE 3 12.201 12.746 -4.771 17 HG21 ILE 3 1HG2 ILE 3 11.224 10.275 -2.856 18 HG22 ILE 3 2HG2 ILE 3 12.529 9.217 -3.394 19 HG23 ILE 3 3HG2 ILE 3 11.647 10.188 -4.571 20 HD11 ILE 3 3HD1 ILE 3 10.370 12.317 -3.199 21 HD12 ILE 3 1HD1 ILE 3 10.790 14.026 -3.285 22 HD13 ILE 3 2HD1 ILE 3 11.317 13.062 -1.906 23 H LEU 4 H LEU 4 13.395 9.523 -0.203 24 HA LEU 4 HA LEU 4 16.095 8.508 -0.184 25 HB2 LEU 4 2HB LEU 4 13.596 7.891 1.431 26 HB3 LEU 4 1HB LEU 4 15.194 7.289 1.805 27 HG LEU 4 HG LEU 4 14.409 9.084 3.267 28 HD11 LEU 4 1HD1 LEU 4 16.898 9.827 1.739 29 HD12 LEU 4 2HD1 LEU 4 16.792 8.709 3.105 30 HD13 LEU 4 3HD1 LEU 4 16.462 10.423 3.345 31 HD21 LEU 4 3HD2 LEU 4 13.132 10.463 1.731 32 HD22 LEU 4 1HD2 LEU 4 14.642 11.042 1.021 33 HD23 LEU 4 2HD2 LEU 4 14.261 11.395 2.711 34 H LYS 5 H LYS 5 16.580 6.236 -0.305 35 HA LYS 5 HA LYS 5 14.735 4.423 -1.689 36 HB2 LYS 5 2HB LYS 5 16.673 2.950 -1.824 37 HB3 LYS 5 1HB LYS 5 17.124 4.577 -2.337 38 HG2 LYS 5 2HG LYS 5 17.923 4.912 0.122 39 HG3 LYS 5 1HG LYS 5 17.802 3.154 0.226 40 HD2 LYS 5 2HD LYS 5 19.408 2.944 -1.659 41 HD3 LYS 5 1HD LYS 5 19.488 4.707 -1.760 42 HE2 LYS 5 2HE LYS 5 20.401 4.747 0.576 43 HE3 LYS 5 1HE LYS 5 20.432 2.981 0.556 44 HZ1 LYS 5 3HZ LYS 5 21.966 3.062 -1.293 45 HZ2 LYS 5 1HZ LYS 5 22.588 3.930 0.017 46 HZ3 LYS 5 2HZ LYS 5 21.923 4.751 -1.307 47 H GLU 6 H GLU 6 14.548 5.463 1.210 48 HA GLU 6 HA GLU 6 14.056 3.007 2.705 49 HB2 GLU 6 2HB GLU 6 15.601 3.634 4.517 50 HB3 GLU 6 1HB GLU 6 16.512 3.468 3.017 51 HG2 GLU 6 2HG GLU 6 16.498 5.924 2.731 52 HG3 GLU 6 1HG GLU 6 15.580 6.108 4.230 53 H LEU 7 H LEU 7 13.337 3.785 5.034 54 HA LEU 7 HA LEU 7 11.466 5.962 4.879 55 HB2 LEU 7 2HB LEU 7 12.332 4.208 7.195 56 HB3 LEU 7 1HB LEU 7 11.079 5.442 7.321 57 HG LEU 7 HG LEU 7 10.987 2.938 5.614 58 HD11 LEU 7 1HD1 LEU 7 10.689 2.494 7.972 59 HD12 LEU 7 2HD1 LEU 7 9.213 2.205 7.060 60 HD13 LEU 7 3HD1 LEU 7 9.369 3.667 8.043 61 HD21 LEU 7 3HD2 LEU 7 9.841 4.765 4.467 62 HD22 LEU 7 1HD2 LEU 7 8.863 5.075 5.904 63 HD23 LEU 7 2HD2 LEU 7 8.702 3.548 5.025 64 HA PRO 8 HA PRO 8 14.575 9.010 6.369 65 HB2 PRO 8 2HB PRO 8 12.689 11.098 6.427 66 HB3 PRO 8 1HB PRO 8 13.716 10.693 5.038 67 HG2 PRO 8 2HG PRO 8 10.852 9.988 5.529 68 HG3 PRO 8 1HG PRO 8 11.673 10.395 4.008 69 HD2 PRO 8 2HD PRO 8 11.056 7.831 4.669 70 HD3 PRO 8 1HD PRO 8 12.479 8.224 3.703 71 H GLU 9 H GLU 9 14.535 10.412 8.315 72 HA GLU 9 HA GLU 9 13.807 8.845 10.561 73 HB2 GLU 9 2HB GLU 9 14.897 11.682 10.351 74 HB3 GLU 9 1HB GLU 9 14.775 10.772 11.864 75 HG2 GLU 9 2HG GLU 9 16.280 9.075 11.018 76 HG3 GLU 9 1HG GLU 9 16.335 9.854 9.440 77 H GLY 10 H GLY 10 12.056 8.872 11.820 78 HA2 GLY 10 2HA GLY 10 10.363 10.400 12.927 79 HA3 GLY 10 1HA GLY 10 9.975 10.888 11.285 80 H PHE 11 H PHE 11 10.279 8.242 10.140 81 HA PHE 11 HA PHE 11 7.715 7.035 11.006 82 HB2 PHE 11 2HB PHE 11 9.270 6.248 8.508 83 HB3 PHE 11 1HB PHE 11 7.586 5.983 8.836 84 HD1 PHE 11 1HD PHE 11 10.085 8.371 7.860 85 HD2 PHE 11 2HD PHE 11 5.918 7.836 8.410 86 HE1 PHE 11 1HE PHE 11 9.658 10.484 6.705 87 HE2 PHE 11 2HE PHE 11 5.487 9.923 7.261 88 HZ PHE 11 HZ PHE 11 7.356 11.254 6.415 89 H ASP 12 H ASP 12 7.658 4.608 10.922 90 HA ASP 12 HA ASP 12 10.103 3.371 12.068 91 HB2 ASP 12 2HB ASP 12 8.303 3.778 13.784 92 HB3 ASP 12 1HB ASP 12 7.208 2.798 12.856 93 H LYS 13 H LYS 13 10.706 1.469 11.082 94 HA LYS 13 HA LYS 13 9.712 0.749 8.600 95 HB2 LYS 13 2HB LYS 13 11.465 -0.768 10.553 96 HB3 LYS 13 1HB LYS 13 11.221 -1.221 8.882 97 HG2 LYS 13 2HG LYS 13 12.192 0.964 8.163 98 HG3 LYS 13 1HG LYS 13 12.489 1.352 9.856 99 HD2 LYS 13 2HD LYS 13 14.565 0.576 8.899 100 HD3 LYS 13 1HD LYS 13 13.985 -0.677 9.999 101 HE2 LYS 13 2HE LYS 13 13.158 -1.991 8.092 102 HE3 LYS 13 1HE LYS 13 13.631 -0.709 6.978 103 HZ1 LYS 13 3HZ LYS 13 15.252 -2.464 6.977 104 HZ2 LYS 13 1HZ LYS 13 15.458 -2.346 8.650 105 HZ3 LYS 13 2HZ LYS 13 15.947 -1.076 7.649 106 H GLU 14 H GLU 14 9.089 -0.637 11.777 107 HA GLU 14 HA GLU 14 7.662 -2.946 10.732 108 HB2 GLU 14 2HB GLU 14 8.064 -1.923 13.568 109 HB3 GLU 14 1HB GLU 14 7.311 -3.466 13.158 110 HG2 GLU 14 2HG GLU 14 9.380 -4.294 12.205 111 HG3 GLU 14 1HG GLU 14 10.147 -2.715 12.383 112 H THR 15 H THR 15 6.846 0.246 11.938 113 HA THR 15 HA THR 15 4.015 -0.219 12.247 114 HB THR 15 HB THR 15 5.617 2.386 12.087 115 HG1 THR 15 1HG THR 15 6.086 1.088 13.910 116 HG21 THR 15 3HG2 THR 15 2.734 1.991 13.007 117 HG22 THR 15 1HG2 THR 15 3.217 2.800 11.513 118 HG23 THR 15 2HG2 THR 15 3.644 3.499 13.076 119 H VAL 16 H VAL 16 6.138 0.959 9.691 120 HA VAL 16 HA VAL 16 4.031 1.786 7.906 121 HB VAL 16 HB VAL 16 7.047 1.526 7.501 122 HG11 VAL 16 1HG1 VAL 16 5.001 2.630 5.534 123 HG12 VAL 16 2HG1 VAL 16 5.999 1.189 5.307 124 HG13 VAL 16 3HG1 VAL 16 6.753 2.784 5.369 125 HG21 VAL 16 3HG2 VAL 16 7.017 4.002 7.515 126 HG22 VAL 16 1HG2 VAL 16 6.330 3.364 9.011 127 HG23 VAL 16 2HG2 VAL 16 5.267 3.993 7.750 128 H ARG 17 H ARG 17 5.931 -1.128 8.454 129 HA ARG 17 HA ARG 17 4.960 -2.612 6.221 130 HB2 ARG 17 2HB ARG 17 6.906 -3.342 7.561 131 HB3 ARG 17 1HB ARG 17 5.839 -3.643 8.933 132 HG2 ARG 17 2HG ARG 17 4.595 -5.323 7.500 133 HG3 ARG 17 1HG ARG 17 5.831 -5.091 6.255 134 HD2 ARG 17 2HD ARG 17 6.347 -6.011 9.078 135 HD3 ARG 17 1HD ARG 17 6.234 -7.086 7.684 136 HE ARG 17 HE ARG 17 8.174 -5.241 7.015 137 HH11 ARG 17 1HH1 ARG 17 7.810 -7.547 9.663 138 HH12 ARG 17 2HH1 ARG 17 9.518 -7.751 9.872 139 HH21 ARG 17 1HH2 ARG 17 10.397 -5.513 7.318 140 HH22 ARG 17 2HH2 ARG 17 10.988 -6.594 8.538 141 H LYS 18 H LYS 18 4.013 -2.574 9.650 142 HA LYS 18 HA LYS 18 1.901 -4.264 9.763 143 HB2 LYS 18 2HB LYS 18 2.924 -3.344 11.725 144 HB3 LYS 18 1HB LYS 18 2.506 -1.702 11.276 145 HG2 LYS 18 2HG LYS 18 0.273 -3.628 11.808 146 HG3 LYS 18 1HG LYS 18 1.212 -3.050 13.182 147 HD2 LYS 18 2HD LYS 18 0.677 -0.689 12.527 148 HD3 LYS 18 1HD LYS 18 -0.300 -1.296 11.189 149 HE2 LYS 18 2HE LYS 18 -1.746 -2.474 12.884 150 HE3 LYS 18 1HE LYS 18 -0.833 -1.654 14.155 151 HZ1 LYS 18 3HZ LYS 18 -2.874 -0.492 13.641 152 HZ2 LYS 18 1HZ LYS 18 -2.425 -0.335 12.016 153 HZ3 LYS 18 2HZ LYS 18 -1.544 0.464 13.224 154 H GLN 19 H GLN 19 1.713 -0.794 9.006 155 HA GLN 19 HA GLN 19 -1.146 -0.723 8.862 156 HB2 GLN 19 2HB GLN 19 0.206 1.237 9.492 157 HB3 GLN 19 1HB GLN 19 0.939 1.268 7.894 158 HG2 GLN 19 2HG GLN 19 -0.769 2.982 8.090 159 HG3 GLN 19 1HG GLN 19 -1.235 1.796 6.883 160 HE21 GLN 19 1HE2 GLN 19 -3.039 0.507 7.259 161 HE22 GLN 19 2HE2 GLN 19 -4.135 0.787 8.555 162 H ALA 20 H ALA 20 1.390 -1.365 6.555 163 HA ALA 20 HA ALA 20 -0.234 -0.945 4.178 164 HB1 ALA 20 1HB ALA 20 1.773 -1.707 2.979 165 HB2 ALA 20 2HB ALA 20 2.560 -2.097 4.515 166 HB3 ALA 20 3HB ALA 20 2.164 -0.420 4.121 167 H MET 21 H MET 21 0.612 -3.483 6.440 168 HA MET 21 HA MET 21 -0.049 -5.717 4.847 169 HB2 MET 21 2HB MET 21 -0.125 -5.423 7.880 170 HB3 MET 21 1HB MET 21 -0.317 -6.950 7.033 171 HG2 MET 21 2HG MET 21 2.008 -6.404 6.013 172 HG3 MET 21 1HG MET 21 2.157 -5.273 7.351 173 HE1 MET 21 3HE MET 21 1.799 -7.859 10.372 174 HE2 MET 21 1HE MET 21 0.469 -7.021 9.575 175 HE3 MET 21 2HE MET 21 1.955 -6.149 9.968 176 H GLU 22 H GLU 22 -1.838 -3.851 7.261 177 HA GLU 22 HA GLU 22 -4.376 -5.019 7.078 178 HB2 GLU 22 2HB GLU 22 -3.725 -2.094 7.678 179 HB3 GLU 22 1HB GLU 22 -5.216 -2.935 8.112 180 HG2 GLU 22 2HG GLU 22 -3.992 -4.371 9.667 181 HG3 GLU 22 1HG GLU 22 -2.462 -3.642 9.185 182 H ASP 23 H ASP 23 -2.842 -2.476 5.249 183 HA ASP 23 HA ASP 23 -5.028 -1.406 3.872 184 HB2 ASP 23 2HB ASP 23 -2.588 -0.509 4.227 185 HB3 ASP 23 1HB ASP 23 -2.189 -1.417 2.776 186 H ILE 24 H ILE 24 -2.783 -3.988 3.046 187 HA ILE 24 HA ILE 24 -3.636 -4.483 0.371 188 HB ILE 24 HB ILE 24 -2.105 -6.150 2.408 189 HG12 ILE 24 2HG1 ILE 24 -1.129 -4.704 -0.106 190 HG13 ILE 24 1HG1 ILE 24 -1.044 -4.047 1.523 191 HG21 ILE 24 1HG2 ILE 24 -2.552 -6.867 -0.515 192 HG22 ILE 24 2HG2 ILE 24 -3.169 -7.748 0.884 193 HG23 ILE 24 3HG2 ILE 24 -1.432 -7.685 0.582 194 HD11 ILE 24 3HD1 ILE 24 0.490 -5.792 2.196 195 HD12 ILE 24 1HD1 ILE 24 1.083 -4.953 0.763 196 HD13 ILE 24 2HD1 ILE 24 0.360 -6.552 0.606 197 H GLU 25 H GLU 25 -4.575 -5.805 3.528 198 HA GLU 25 HA GLU 25 -6.044 -8.015 2.643 199 HB2 GLU 25 2HB GLU 25 -6.304 -6.461 5.234 200 HB3 GLU 25 1HB GLU 25 -7.049 -8.035 4.944 201 HG2 GLU 25 2HG GLU 25 -4.849 -9.069 4.706 202 HG3 GLU 25 1HG GLU 25 -4.055 -7.509 4.906 203 H ILE 26 H ILE 26 -7.038 -4.735 3.268 204 HA ILE 26 HA ILE 26 -9.874 -5.215 2.895 205 HB ILE 26 HB ILE 26 -8.343 -2.579 3.111 206 HG12 ILE 26 2HG1 ILE 26 -9.715 -3.996 5.436 207 HG13 ILE 26 1HG1 ILE 26 -8.047 -4.357 5.021 208 HG21 ILE 26 1HG2 ILE 26 -10.474 -1.620 3.929 209 HG22 ILE 26 2HG2 ILE 26 -11.277 -3.174 3.691 210 HG23 ILE 26 3HG2 ILE 26 -10.663 -2.276 2.303 211 HD11 ILE 26 3HD1 ILE 26 -9.089 -1.649 5.808 212 HD12 ILE 26 1HD1 ILE 26 -7.417 -2.066 5.417 213 HD13 ILE 26 2HD1 ILE 26 -8.196 -2.777 6.829 214 H ALA 27 H ALA 27 -7.169 -4.572 0.868 215 HA ALA 27 HA ALA 27 -8.595 -3.400 -1.379 216 HB1 ALA 27 1HB ALA 27 -5.797 -4.583 -1.232 217 HB2 ALA 27 2HB ALA 27 -6.214 -2.886 -0.997 218 HB3 ALA 27 3HB ALA 27 -6.449 -3.637 -2.576 219 H GLN 28 H GLN 28 -7.507 -6.595 -0.342 220 HA GLN 28 HA GLN 28 -7.998 -8.136 -2.650 221 HB2 GLN 28 2HB GLN 28 -8.222 -8.945 0.286 222 HB3 GLN 28 1HB GLN 28 -8.146 -10.075 -1.063 223 HG2 GLN 28 2HG GLN 28 -5.872 -9.484 -1.540 224 HG3 GLN 28 1HG GLN 28 -5.933 -8.109 -0.448 225 HE21 GLN 28 1HE2 GLN 28 -7.351 -9.670 1.676 226 HE22 GLN 28 2HE2 GLN 28 -6.151 -10.712 2.356 227 H SER 29 H SER 29 -10.124 -6.999 -0.092 228 HA SER 29 HA SER 29 -12.408 -8.599 -0.981 229 HB2 SER 29 2HB SER 29 -12.083 -6.685 1.367 230 HB3 SER 29 1HB SER 29 -13.493 -7.710 1.072 231 HG SER 29 HG SER 29 -12.120 -9.528 1.291 232 H LYS 30 H LYS 30 -11.149 -6.058 -2.328 233 HA LYS 30 HA LYS 30 -11.709 -4.254 -3.490 234 HB2 LYS 30 2HB LYS 30 -13.411 -4.549 -5.152 235 HB3 LYS 30 1HB LYS 30 -12.650 -6.105 -4.857 236 HG2 LYS 30 2HG LYS 30 -14.633 -6.769 -3.482 237 HG3 LYS 30 1HG LYS 30 -15.387 -5.222 -3.873 238 HD2 LYS 30 2HD LYS 30 -14.717 -7.487 -5.793 239 HD3 LYS 30 1HD LYS 30 -16.319 -6.913 -5.333 240 HE2 LYS 30 2HE LYS 30 -15.795 -4.728 -6.468 241 HE3 LYS 30 1HE LYS 30 -14.264 -5.415 -7.005 242 HZ1 LYS 30 3HZ LYS 30 -15.408 -7.021 -8.299 243 HZ2 LYS 30 1HZ LYS 30 -16.060 -5.508 -8.677 244 HZ3 LYS 30 2HZ LYS 30 -16.912 -6.574 -7.672 245 H ASP 31 H ASP 31 -12.031 -3.482 -1.030 246 HA ASP 31 HA ASP 31 -14.643 -2.184 -0.666 247 HB2 ASP 31 2HB ASP 31 -12.164 -2.267 1.130 248 HB3 ASP 31 1HB ASP 31 -13.623 -1.358 1.511 249 H TYR 32 H TYR 32 -14.928 -0.282 -1.643 250 HA TYR 32 HA TYR 32 -12.616 1.347 -2.422 251 HB2 TYR 32 2HB TYR 32 -15.377 2.334 -3.108 252 HB3 TYR 32 1HB TYR 32 -13.937 2.257 -4.112 253 HD1 TYR 32 2HD TYR 32 -13.230 -0.484 -4.421 254 HD2 TYR 32 1HD TYR 32 -17.165 1.131 -4.056 255 HE1 TYR 32 2HE TYR 32 -14.134 -2.467 -5.526 256 HE2 TYR 32 1HE TYR 32 -18.077 -0.842 -5.175 257 HH TYR 32 HH TYR 32 -17.285 -2.558 -6.780 258 H GLU 33 H GLU 33 -15.813 2.110 -1.165 259 HA GLU 33 HA GLU 33 -15.031 4.591 -0.008 260 HB2 GLU 33 2HB GLU 33 -17.701 3.122 0.072 261 HB3 GLU 33 1HB GLU 33 -17.443 4.827 0.442 262 HG2 GLU 33 2HG GLU 33 -16.951 3.536 -2.264 263 HG3 GLU 33 1HG GLU 33 -18.411 4.422 -1.827 264 H SER 34 H SER 34 -14.486 1.652 1.206 265 HA SER 34 HA SER 34 -15.029 2.351 4.033 266 HB2 SER 34 2HB SER 34 -14.189 -0.322 2.815 267 HB3 SER 34 1HB SER 34 -14.600 -0.037 4.509 268 HG SER 34 HG SER 34 -16.510 -0.619 3.841 269 H TRP 35 H TRP 35 -12.652 1.452 1.668 270 HA TRP 35 HA TRP 35 -10.351 1.450 3.452 271 HB2 TRP 35 2HB TRP 35 -10.809 -0.278 1.667 272 HB3 TRP 35 1HB TRP 35 -10.647 0.985 0.459 273 HD1 TRP 35 HD TRP 35 -8.215 0.142 3.415 274 HE1 TRP 35 1HE TRP 35 -5.916 -0.311 2.361 275 HE3 TRP 35 3HE TRP 35 -9.461 0.627 -1.485 276 HZ2 TRP 35 2HZ TRP 35 -4.779 -0.456 -0.220 277 HZ3 TRP 35 3HZ TRP 35 -7.727 0.307 -3.196 278 HH2 TRP 35 HH TRP 35 -5.440 -0.217 -2.575 279 H LYS 36 H LYS 36 -12.061 3.521 1.396 280 HA LYS 36 HA LYS 36 -10.126 5.215 0.298 281 HB2 LYS 36 2HB LYS 36 -12.000 6.433 -0.450 282 HB3 LYS 36 1HB LYS 36 -12.588 4.868 -0.257 283 HG2 LYS 36 2HG LYS 36 -14.303 5.839 0.735 284 HG3 LYS 36 1HG LYS 36 -13.288 5.877 2.158 285 HD2 LYS 36 2HD LYS 36 -14.298 8.059 1.844 286 HD3 LYS 36 1HD LYS 36 -12.579 8.194 1.506 287 HE2 LYS 36 2HE LYS 36 -13.756 9.447 -0.187 288 HE3 LYS 36 1HE LYS 36 -13.134 7.990 -0.957 289 HZ1 LYS 36 3HZ LYS 36 -15.395 8.462 -1.613 290 HZ2 LYS 36 1HZ LYS 36 -15.911 8.402 -0.005 291 HZ3 LYS 36 2HZ LYS 36 -15.329 7.004 -0.761 292 H SER 37 H SER 37 -11.708 5.138 3.396 293 HA SER 37 HA SER 37 -11.136 7.658 4.455 294 HB2 SER 37 2HB SER 37 -12.685 5.986 5.471 295 HB3 SER 37 1HB SER 37 -11.307 4.976 5.906 296 HG SER 37 HG SER 37 -11.138 6.123 7.618 297 H ARG 38 H ARG 38 -9.081 4.847 4.015 298 HA ARG 38 HA ARG 38 -6.892 5.893 5.605 299 HB2 ARG 38 2HB ARG 38 -7.501 3.445 5.493 300 HB3 ARG 38 1HB ARG 38 -6.974 3.432 3.820 301 HG2 ARG 38 2HG ARG 38 -5.285 2.472 5.296 302 HG3 ARG 38 1HG ARG 38 -4.667 3.924 4.519 303 HD2 ARG 38 2HD ARG 38 -5.812 3.952 7.334 304 HD3 ARG 38 1HD ARG 38 -4.112 3.613 7.010 305 HE ARG 38 HE ARG 38 -4.256 5.903 5.776 306 HH11 ARG 38 1HH1 ARG 38 -5.828 5.148 8.842 307 HH12 ARG 38 2HH1 ARG 38 -5.781 6.790 9.405 308 HH21 ARG 38 1HH2 ARG 38 -4.197 8.032 6.520 309 HH22 ARG 38 2HH2 ARG 38 -4.847 8.436 8.075 310 H PHE 39 H PHE 39 -7.965 6.094 2.309 311 HA PHE 39 HA PHE 39 -5.485 6.889 1.104 312 HB2 PHE 39 2HB PHE 39 -8.392 7.074 0.286 313 HB3 PHE 39 1HB PHE 39 -7.219 8.029 -0.609 314 HD1 PHE 39 2HD PHE 39 -5.460 6.950 -1.908 315 HD2 PHE 39 1HD PHE 39 -8.526 4.652 0.005 316 HE1 PHE 39 2HE PHE 39 -4.854 5.043 -3.288 317 HE2 PHE 39 1HE PHE 39 -7.885 2.731 -1.374 318 HZ PHE 39 HZ PHE 39 -6.066 2.902 -3.031 319 H THR 40 H THR 40 -5.007 9.110 0.300 320 HA THR 40 HA THR 40 -5.650 11.272 2.046 321 HB THR 40 HB THR 40 -4.582 12.755 0.545 322 HG1 THR 40 1HG THR 40 -4.078 11.771 -1.715 323 HG21 THR 40 3HG2 THR 40 -3.228 10.106 0.067 324 HG22 THR 40 1HG2 THR 40 -2.925 11.202 1.414 325 HG23 THR 40 2HG2 THR 40 -2.505 11.681 -0.231 326 H LYS 41 H LYS 41 -7.083 12.978 1.676 327 HA LYS 41 HA LYS 41 -9.611 12.355 0.616 328 HB2 LYS 41 2HB LYS 41 -8.325 14.851 1.655 329 HB3 LYS 41 1HB LYS 41 -9.900 14.959 0.901 330 HG2 LYS 41 2HG LYS 41 -10.229 14.794 3.275 331 HG3 LYS 41 1HG LYS 41 -10.752 13.270 2.573 332 HD2 LYS 41 2HD LYS 41 -8.603 12.221 3.260 333 HD3 LYS 41 1HD LYS 41 -8.059 13.760 3.931 334 HE2 LYS 41 2HE LYS 41 -9.944 13.678 5.555 335 HE3 LYS 41 1HE LYS 41 -10.412 12.108 4.906 336 HZ1 LYS 41 3HZ LYS 41 -9.131 11.822 6.895 337 HZ2 LYS 41 1HZ LYS 41 -7.864 12.761 6.285 338 HZ3 LYS 41 2HZ LYS 41 -8.217 11.265 5.587 339 H ASP 42 H ASP 42 -6.803 13.606 -0.864 340 HA ASP 42 HA ASP 42 -7.909 14.703 -3.255 341 HB2 ASP 42 2HB ASP 42 -5.659 15.254 -2.427 342 HB3 ASP 42 1HB ASP 42 -5.156 13.580 -2.586 343 H LEU 43 H LEU 43 -6.528 11.533 -2.341 344 HA LEU 43 HA LEU 43 -6.918 10.272 -4.885 345 HB2 LEU 43 2HB LEU 43 -6.437 9.077 -2.154 346 HB3 LEU 43 1HB LEU 43 -6.465 8.171 -3.653 347 HG LEU 43 HG LEU 43 -4.264 9.753 -2.454 348 HD11 LEU 43 1HD1 LEU 43 -4.348 7.711 -4.668 349 HD12 LEU 43 2HD1 LEU 43 -4.067 7.398 -2.951 350 HD13 LEU 43 3HD1 LEU 43 -2.881 8.310 -3.879 351 HD21 LEU 43 3HD2 LEU 43 -3.268 10.582 -4.512 352 HD22 LEU 43 1HD2 LEU 43 -4.789 11.393 -4.154 353 HD23 LEU 43 2HD2 LEU 43 -4.730 10.152 -5.411 354 H GLN 44 H GLN 44 -8.904 10.809 -2.093 355 HA GLN 44 HA GLN 44 -10.867 8.821 -2.447 356 HB2 GLN 44 2HB GLN 44 -10.924 11.541 -1.129 357 HB3 GLN 44 1HB GLN 44 -12.282 10.405 -1.063 358 HG2 GLN 44 2HG GLN 44 -10.804 8.699 -0.065 359 HG3 GLN 44 1HG GLN 44 -9.468 9.831 -0.111 360 HE21 GLN 44 1HE2 GLN 44 -9.392 9.264 2.136 361 HE22 GLN 44 2HE2 GLN 44 -10.330 10.174 3.240 362 H SER 45 H SER 45 -10.439 12.031 -3.867 363 HA SER 45 HA SER 45 -12.818 11.945 -5.475 364 HB2 SER 45 2HB SER 45 -10.328 13.653 -5.776 365 HB3 SER 45 1HB SER 45 -11.851 13.927 -6.615 366 HG SER 45 HG SER 45 -11.702 15.256 -4.807 367 H SER 46 H SER 46 -9.563 10.765 -5.725 368 HA SER 46 HA SER 46 -9.646 10.391 -8.634 369 HB2 SER 46 2HB SER 46 -7.702 11.540 -7.558 370 HB3 SER 46 1HB SER 46 -7.344 10.060 -6.675 371 HG SER 46 HG SER 46 -6.896 9.048 -8.625 372 H LEU 47 H LEU 47 -10.913 8.589 -6.296 373 HA LEU 47 HA LEU 47 -9.690 6.055 -6.467 374 HB2 LEU 47 2HB LEU 47 -12.503 6.827 -5.741 375 HB3 LEU 47 1HB LEU 47 -11.965 5.152 -5.776 376 HG LEU 47 HG LEU 47 -11.134 7.353 -3.871 377 HD11 LEU 47 1HD1 LEU 47 -11.695 5.654 -2.216 378 HD12 LEU 47 2HD1 LEU 47 -12.112 4.538 -3.524 379 HD13 LEU 47 3HD1 LEU 47 -13.046 6.019 -3.285 380 HD21 LEU 47 3HD2 LEU 47 -9.001 6.367 -4.546 381 HD22 LEU 47 1HD2 LEU 47 -9.631 4.738 -4.271 382 HD23 LEU 47 2HD2 LEU 47 -9.417 5.851 -2.913 383 H THR 48 H THR 48 -9.914 4.377 -7.741 384 HA THR 48 HA THR 48 -11.786 4.418 -10.037 385 HB THR 48 HB THR 48 -10.033 3.105 -11.333 386 HG1 THR 48 1HG THR 48 -8.378 3.914 -9.162 387 HG21 THR 48 3HG2 THR 48 -10.351 5.513 -11.795 388 HG22 THR 48 1HG2 THR 48 -8.664 5.030 -11.998 389 HG23 THR 48 2HG2 THR 48 -9.161 5.908 -10.550 390 H GLU 49 H GLU 49 -13.208 2.832 -9.748 391 HA GLU 49 HA GLU 49 -13.023 0.755 -7.836 392 HB2 GLU 49 2HB GLU 49 -15.135 1.710 -8.847 393 HB3 GLU 49 1HB GLU 49 -14.800 0.799 -10.304 394 HG2 GLU 49 2HG GLU 49 -14.812 -1.290 -8.857 395 HG3 GLU 49 1HG GLU 49 -15.413 -0.287 -7.546 396 H GLU 50 H GLU 50 -12.084 0.991 -11.175 397 HA GLU 50 HA GLU 50 -11.712 -1.660 -11.883 398 HB2 GLU 50 2HB GLU 50 -11.709 0.326 -13.399 399 HB3 GLU 50 1HB GLU 50 -10.154 0.822 -12.746 400 HG2 GLU 50 2HG GLU 50 -9.143 -1.259 -13.603 401 HG3 GLU 50 1HG GLU 50 -10.705 -1.732 -14.258 402 H SER 51 H SER 51 -9.713 0.501 -9.933 403 HA SER 51 HA SER 51 -7.226 -0.881 -10.035 404 HB2 SER 51 2HB SER 51 -7.519 1.464 -9.165 405 HB3 SER 51 1HB SER 51 -8.294 0.806 -7.729 406 HG SER 51 HG SER 51 -6.270 -0.395 -7.421 407 H TYR 52 H TYR 52 -10.170 -1.668 -8.481 408 HA TYR 52 HA TYR 52 -8.978 -3.663 -6.666 409 HB2 TYR 52 2HB TYR 52 -11.935 -2.966 -6.989 410 HB3 TYR 52 1HB TYR 52 -11.173 -3.830 -5.657 411 HD1 TYR 52 1HD TYR 52 -11.332 -0.492 -7.317 412 HD2 TYR 52 2HD TYR 52 -10.476 -2.606 -3.719 413 HE1 TYR 52 1HE TYR 52 -11.209 1.620 -6.134 414 HE2 TYR 52 2HE TYR 52 -10.326 -0.484 -2.531 415 HH TYR 52 HH TYR 52 -9.892 1.887 -2.987 416 H ASP 53 H ASP 53 -11.450 -3.313 -9.212 417 HA ASP 53 HA ASP 53 -12.272 -6.016 -9.226 418 HB2 ASP 53 2HB ASP 53 -13.572 -3.900 -9.977 419 HB3 ASP 53 1HB ASP 53 -12.702 -4.044 -11.495 420 H SER 54 H SER 54 -10.302 -4.155 -11.544 421 HA SER 54 HA SER 54 -9.688 -6.285 -13.304 422 HB2 SER 54 2HB SER 54 -9.403 -3.938 -13.977 423 HB3 SER 54 1HB SER 54 -8.170 -3.702 -12.744 424 HG SER 54 HG SER 54 -8.010 -5.416 -14.998 425 H TYR 55 H TYR 55 -8.073 -4.975 -10.426 426 HA TYR 55 HA TYR 55 -5.768 -6.565 -10.392 427 HB2 TYR 55 2HB TYR 55 -5.530 -4.879 -8.821 428 HB3 TYR 55 1HB TYR 55 -7.232 -4.882 -8.400 429 HD1 TYR 55 1HD TYR 55 -4.084 -6.913 -7.886 430 HD2 TYR 55 2HD TYR 55 -7.905 -5.778 -6.305 431 HE1 TYR 55 1HE TYR 55 -3.622 -8.180 -5.829 432 HE2 TYR 55 2HE TYR 55 -7.430 -7.027 -4.249 433 HH TYR 55 HH TYR 55 -4.302 -8.410 -3.586 434 H LEU 56 H LEU 56 -9.075 -7.290 -9.304 435 HA LEU 56 HA LEU 56 -8.483 -9.554 -7.740 436 HB2 LEU 56 2HB LEU 56 -11.041 -8.931 -9.252 437 HB3 LEU 56 1HB LEU 56 -10.883 -10.219 -8.066 438 HG LEU 56 HG LEU 56 -10.701 -7.237 -7.529 439 HD11 LEU 56 1HD1 LEU 56 -12.768 -9.256 -6.666 440 HD12 LEU 56 2HD1 LEU 56 -12.973 -7.988 -7.880 441 HD13 LEU 56 3HD1 LEU 56 -12.710 -7.550 -6.191 442 HD21 LEU 56 3HD2 LEU 56 -10.501 -7.796 -5.147 443 HD22 LEU 56 1HD2 LEU 56 -9.120 -8.379 -6.072 444 HD23 LEU 56 2HD2 LEU 56 -10.374 -9.511 -5.554 445 H LYS 57 H LYS 57 -8.790 -9.187 -11.203 446 HA LYS 57 HA LYS 57 -9.015 -11.905 -11.915 447 HB2 LYS 57 2HB LYS 57 -7.782 -9.607 -13.443 448 HB3 LYS 57 1HB LYS 57 -8.212 -11.167 -14.124 449 HG2 LYS 57 2HG LYS 57 -10.175 -9.155 -12.961 450 HG3 LYS 57 1HG LYS 57 -9.864 -9.440 -14.662 451 HD2 LYS 57 2HD LYS 57 -11.818 -10.669 -14.395 452 HD3 LYS 57 1HD LYS 57 -10.611 -11.922 -14.117 453 HE2 LYS 57 2HE LYS 57 -10.887 -11.579 -11.654 454 HE3 LYS 57 1HE LYS 57 -12.125 -10.372 -11.992 455 HZ1 LYS 57 3HZ LYS 57 -12.305 -13.196 -12.861 456 HZ2 LYS 57 1HZ LYS 57 -13.531 -12.027 -12.895 457 HZ3 LYS 57 2HZ LYS 57 -12.953 -12.613 -11.412 458 H ILE 58 H ILE 58 -6.245 -9.818 -11.243 459 HA ILE 58 HA ILE 58 -4.203 -11.729 -11.862 460 HB ILE 58 HB ILE 58 -4.087 -9.237 -10.087 461 HG12 ILE 58 2HG1 ILE 58 -2.658 -8.327 -12.019 462 HG13 ILE 58 1HG1 ILE 58 -3.210 -9.697 -12.973 463 HG21 ILE 58 1HG2 ILE 58 -1.629 -9.399 -10.146 464 HG22 ILE 58 2HG2 ILE 58 -1.746 -10.927 -11.023 465 HG23 ILE 58 3HG2 ILE 58 -2.347 -10.814 -9.366 466 HD11 ILE 58 3HD1 ILE 58 -4.916 -7.518 -11.788 467 HD12 ILE 58 1HD1 ILE 58 -5.511 -8.889 -12.727 468 HD13 ILE 58 2HD1 ILE 58 -4.450 -7.697 -13.482 469 H LEU 59 H LEU 59 -5.845 -10.691 -8.919 470 HA LEU 59 HA LEU 59 -4.601 -12.094 -6.883 471 HB2 LEU 59 2HB LEU 59 -6.437 -10.391 -6.701 472 HB3 LEU 59 1HB LEU 59 -7.575 -11.609 -7.142 473 HG LEU 59 HG LEU 59 -7.112 -12.865 -5.078 474 HD11 LEU 59 1HD1 LEU 59 -4.761 -12.316 -4.795 475 HD12 LEU 59 2HD1 LEU 59 -5.664 -11.944 -3.329 476 HD13 LEU 59 3HD1 LEU 59 -5.175 -10.640 -4.414 477 HD21 LEU 59 3HD2 LEU 59 -8.872 -11.150 -4.999 478 HD22 LEU 59 1HD2 LEU 59 -7.687 -9.938 -4.501 479 HD23 LEU 59 2HD2 LEU 59 -8.061 -11.301 -3.442 480 H GLU 60 H GLU 60 -7.240 -13.101 -8.960 481 HA GLU 60 HA GLU 60 -7.717 -15.564 -7.691 482 HB2 GLU 60 2HB GLU 60 -8.655 -14.245 -10.237 483 HB3 GLU 60 1HB GLU 60 -9.153 -15.852 -9.811 484 HG2 GLU 60 2HG GLU 60 -10.145 -15.045 -7.722 485 HG3 GLU 60 1HG GLU 60 -9.594 -13.423 -8.117 486 H LYS 61 H LYS 61 -5.249 -14.676 -9.771 487 HA LYS 61 HA LYS 61 -4.855 -17.329 -10.944 488 HB2 LYS 61 2HB LYS 61 -3.429 -14.689 -11.379 489 HB3 LYS 61 1HB LYS 61 -3.081 -16.178 -12.235 490 HG2 LYS 61 2HG LYS 61 -5.423 -16.198 -13.083 491 HG3 LYS 61 1HG LYS 61 -5.669 -14.630 -12.324 492 HD2 LYS 61 2HD LYS 61 -3.938 -13.645 -13.790 493 HD3 LYS 61 1HD LYS 61 -3.654 -15.225 -14.534 494 HE2 LYS 61 2HE LYS 61 -6.032 -15.229 -15.322 495 HE3 LYS 61 1HE LYS 61 -6.231 -13.610 -14.649 496 HZ1 LYS 61 3HZ LYS 61 -5.795 -13.563 -17.020 497 HZ2 LYS 61 1HZ LYS 61 -4.326 -14.369 -16.793 498 HZ3 LYS 61 2HZ LYS 61 -4.542 -12.815 -16.169 499 H GLN 62 H GLN 62 -3.641 -15.252 -8.450 500 HA GLN 62 HA GLN 62 -1.131 -16.745 -8.116 501 HB2 GLN 62 2HB GLN 62 -0.648 -14.852 -6.464 502 HB3 GLN 62 1HB GLN 62 -0.777 -14.470 -8.169 503 HG2 GLN 62 2HG GLN 62 -3.249 -13.879 -7.604 504 HG3 GLN 62 1HG GLN 62 -2.671 -13.766 -5.954 505 HE21 GLN 62 1HE2 GLN 62 -0.709 -12.995 -8.712 506 HE22 GLN 62 2HE2 GLN 62 -0.696 -11.326 -8.471 507 H GLY 63 H GLY 63 -4.146 -17.190 -6.928 508 HA2 GLY 63 2HA GLY 63 -4.717 -18.754 -5.240 509 HA3 GLY 63 1HA GLY 63 -3.071 -18.702 -4.670 510 H GLU 64 H GLU 64 -4.355 -18.749 -2.633 511 HA GLU 64 HA GLU 64 -5.578 -16.231 -1.775 512 HB2 GLU 64 2HB GLU 64 -5.273 -18.874 -0.312 513 HB3 GLU 64 1HB GLU 64 -6.239 -17.511 0.242 514 HG2 GLU 64 2HG GLU 64 -7.917 -18.799 -0.647 515 HG3 GLU 64 1HG GLU 64 -7.465 -17.905 -2.095 516 H PHE 65 H PHE 65 -4.927 -15.134 0.115 517 HA PHE 65 HA PHE 65 -2.146 -14.700 0.399 518 HB2 PHE 65 2HB PHE 65 -3.408 -12.781 0.790 519 HB3 PHE 65 1HB PHE 65 -4.610 -13.645 1.748 520 HD1 PHE 65 1HD PHE 65 -0.958 -12.799 1.953 521 HD2 PHE 65 2HD PHE 65 -4.682 -13.097 4.022 522 HE1 PHE 65 1HE PHE 65 0.091 -11.942 3.982 523 HE2 PHE 65 2HE PHE 65 -3.609 -12.245 6.056 524 HZ PHE 65 HZ PHE 65 -1.220 -11.670 6.042 525 H LYS 66 H LYS 66 -0.682 -15.734 1.551 526 HA LYS 66 HA LYS 66 -1.484 -17.550 3.752 527 HB2 LYS 66 2HB LYS 66 0.951 -17.698 1.918 528 HB3 LYS 66 1HB LYS 66 0.568 -18.845 3.204 529 HG2 LYS 66 2HG LYS 66 -1.002 -18.379 0.638 530 HG3 LYS 66 1HG LYS 66 -0.047 -19.808 1.063 531 HD2 LYS 66 2HD LYS 66 -1.620 -20.318 2.911 532 HD3 LYS 66 1HD LYS 66 -2.548 -18.865 2.539 533 HE2 LYS 66 2HE LYS 66 -3.077 -19.819 0.305 534 HE3 LYS 66 1HE LYS 66 -2.225 -21.297 0.760 535 HZ1 LYS 66 3HZ LYS 66 -4.606 -20.176 2.136 536 HZ2 LYS 66 1HZ LYS 66 -3.786 -21.583 2.581 537 HZ3 LYS 66 2HZ LYS 66 -4.599 -21.515 1.102 538 H GLU 67 H GLU 67 0.846 -15.114 2.686 539 HA GLU 67 HA GLU 67 1.141 -13.892 5.197 540 HB2 GLU 67 2HB GLU 67 3.408 -14.404 5.879 541 HB3 GLU 67 1HB GLU 67 2.521 -15.917 5.792 542 HG2 GLU 67 2HG GLU 67 4.364 -14.952 3.579 543 HG3 GLU 67 1HG GLU 67 4.929 -15.911 4.933 544 H PHE 68 H PHE 68 2.895 -12.210 5.136 545 HA PHE 68 HA PHE 68 3.221 -11.105 2.443 546 HB2 PHE 68 2HB PHE 68 3.849 -9.951 5.201 547 HB3 PHE 68 1HB PHE 68 4.072 -9.077 3.683 548 HD1 PHE 68 1HD PHE 68 1.968 -8.844 2.147 549 HD2 PHE 68 2HD PHE 68 1.751 -9.790 6.324 550 HE1 PHE 68 1HE PHE 68 -0.382 -8.182 2.176 551 HE2 PHE 68 2HE PHE 68 -0.607 -9.115 6.335 552 HZ PHE 68 HZ PHE 68 -1.680 -8.307 4.270 553 H GLY 69 H GLY 69 5.307 -10.481 1.655 554 HA2 GLY 69 2HA GLY 69 7.470 -12.323 2.422 555 HA3 GLY 69 1HA GLY 69 7.272 -11.548 0.870 556 H LYS 70 H LYS 70 8.885 -10.207 0.541 557 HA LYS 70 HA LYS 70 10.431 -8.913 2.586 558 HB2 LYS 70 2HB LYS 70 11.301 -9.720 0.359 559 HB3 LYS 70 1HB LYS 70 10.359 -8.463 -0.433 560 HG2 LYS 70 2HG LYS 70 11.700 -6.730 0.726 561 HG3 LYS 70 1HG LYS 70 12.621 -7.989 1.548 562 HD2 LYS 70 2HD LYS 70 13.906 -7.121 -0.330 563 HD3 LYS 70 1HD LYS 70 13.460 -8.799 -0.642 564 HE2 LYS 70 2HE LYS 70 11.660 -8.053 -2.152 565 HE3 LYS 70 1HE LYS 70 12.035 -6.366 -1.784 566 HZ1 LYS 70 3HZ LYS 70 14.242 -6.708 -2.758 567 HZ2 LYS 70 1HZ LYS 70 13.003 -7.008 -3.876 568 HZ3 LYS 70 2HZ LYS 70 13.827 -8.301 -3.155 569 H CYS 71 H CYS 71 10.564 -6.632 2.982 570 HA CYS 71 HA CYS 71 8.562 -4.890 1.694 571 HB2 CYS 71 2HB CYS 71 9.196 -4.753 4.634 572 HB3 CYS 71 1HB CYS 71 7.982 -3.846 3.778 573 HG CYS 71 HG CYS 71 6.982 -6.732 3.143 574 H THR 72 H THR 72 9.969 -3.841 0.446 575 HA THR 72 HA THR 72 12.467 -2.691 1.497 576 HB THR 72 HB THR 72 11.431 -2.512 -1.338 577 HG1 THR 72 1HG THR 72 12.834 -4.609 -0.052 578 HG21 THR 72 3HG2 THR 72 13.262 -0.960 -0.817 579 HG22 THR 72 1HG2 THR 72 13.829 -2.225 -1.910 580 HG23 THR 72 2HG2 THR 72 14.239 -2.297 -0.195 581 H TYR 73 H TYR 73 11.988 -0.884 2.581 582 HA TYR 73 HA TYR 73 9.644 0.666 2.093 583 HB2 TYR 73 2HB TYR 73 11.906 1.363 3.994 584 HB3 TYR 73 1HB TYR 73 10.292 2.001 3.991 585 HD1 TYR 73 2HD TYR 73 8.360 0.588 4.587 586 HD2 TYR 73 1HD TYR 73 12.356 -0.809 5.058 587 HE1 TYR 73 2HE TYR 73 7.558 -1.226 6.060 588 HE2 TYR 73 1HE TYR 73 11.566 -2.624 6.505 589 HH TYR 73 HH TYR 73 9.538 -3.076 7.989 590 H LEU 74 H LEU 74 9.419 2.581 1.230 591 HA LEU 74 HA LEU 74 11.627 3.877 -0.229 592 HB2 LEU 74 2HB LEU 74 8.638 4.458 -0.402 593 HB3 LEU 74 1HB LEU 74 9.888 5.092 -1.449 594 HG LEU 74 HG LEU 74 8.704 3.518 -2.677 595 HD11 LEU 74 1HD1 LEU 74 11.201 2.050 -1.817 596 HD12 LEU 74 2HD1 LEU 74 11.129 3.346 -3.019 597 HD13 LEU 74 3HD1 LEU 74 10.313 1.812 -3.328 598 HD21 LEU 74 3HD2 LEU 74 8.204 1.243 -2.117 599 HD22 LEU 74 1HD2 LEU 74 7.520 2.354 -0.937 600 HD23 LEU 74 2HD2 LEU 74 8.981 1.441 -0.544 601 H GLY 75 H GLY 75 11.326 6.375 -0.273 602 HA2 GLY 75 2HA GLY 75 9.960 7.596 1.962 603 HA3 GLY 75 1HA GLY 75 11.720 7.648 2.076 604 H GLN 76 H GLN 76 9.899 9.864 1.806 605 HA GLN 76 HA GLN 76 10.913 11.224 -0.514 606 HB2 GLN 76 2HB GLN 76 8.271 11.572 -1.186 607 HB3 GLN 76 1HB GLN 76 9.280 10.336 -1.925 608 HG2 GLN 76 2HG GLN 76 8.341 8.649 -0.521 609 HG3 GLN 76 1HG GLN 76 7.546 9.834 0.491 610 HE21 GLN 76 1HE2 GLN 76 6.082 7.823 -0.351 611 HE22 GLN 76 2HE2 GLN 76 4.985 8.281 -1.612 612 H ILE 77 H ILE 77 10.972 13.354 -0.090 613 HA ILE 77 HA ILE 77 8.981 14.601 1.750 614 HB ILE 77 HB ILE 77 11.833 15.570 1.153 615 HG12 ILE 77 2HG1 ILE 77 12.017 15.455 3.750 616 HG13 ILE 77 1HG1 ILE 77 10.563 14.471 3.701 617 HG21 ILE 77 1HG2 ILE 77 10.318 17.495 1.257 618 HG22 ILE 77 2HG2 ILE 77 11.357 17.475 2.683 619 HG23 ILE 77 3HG2 ILE 77 9.676 16.944 2.806 620 HD11 ILE 77 3HD1 ILE 77 11.827 12.854 2.264 621 HD12 ILE 77 1HD1 ILE 77 12.446 13.056 3.906 622 HD13 ILE 77 2HD1 ILE 77 13.263 13.835 2.554 623 H LYS 78 H LYS 78 7.664 15.980 0.787 624 HA LYS 78 HA LYS 78 7.679 16.083 -2.124 625 HB2 LYS 78 2HB LYS 78 5.693 15.564 -0.569 626 HB3 LYS 78 1HB LYS 78 5.633 17.285 -0.226 627 HG2 LYS 78 2HG LYS 78 5.217 17.693 -2.669 628 HG3 LYS 78 1HG LYS 78 5.203 15.944 -2.904 629 HD2 LYS 78 2HD LYS 78 2.908 16.700 -2.735 630 HD3 LYS 78 1HD LYS 78 3.299 15.757 -1.298 631 HE2 LYS 78 2HE LYS 78 2.077 17.656 -0.523 632 HE3 LYS 78 1HE LYS 78 3.767 17.993 -0.117 633 HZ1 LYS 78 3HZ LYS 78 2.229 19.090 -2.410 634 HZ2 LYS 78 1HZ LYS 78 3.890 19.325 -2.176 635 HZ3 LYS 78 2HZ LYS 78 2.783 19.931 -1.057 636 H ASP 79 H ASP 79 6.982 18.510 0.335 637 HA ASP 79 HA ASP 79 8.614 20.573 -1.008 638 HB2 ASP 79 2HB ASP 79 5.730 20.794 -0.040 639 HB3 ASP 79 1HB ASP 79 6.744 22.211 -0.235 640 H ASN 80 H ASN 80 6.552 19.970 1.801 641 HA ASN 80 HA ASN 80 8.766 20.486 3.646 642 HB2 ASN 80 2HB ASN 80 7.298 21.859 5.106 643 HB3 ASN 80 1HB ASN 80 7.529 22.597 3.532 644 HD21 ASN 80 1HD2 ASN 80 5.807 22.712 2.106 645 HD22 ASN 80 2HD2 ASN 80 4.184 22.442 2.604 646 H LYS 81 H LYS 81 6.281 18.527 2.619 647 HA LYS 81 HA LYS 81 5.753 17.338 5.249 648 HB2 LYS 81 2HB LYS 81 4.309 17.303 2.616 649 HB3 LYS 81 1HB LYS 81 4.161 15.876 3.626 650 HG2 LYS 81 2HG LYS 81 3.358 18.703 4.353 651 HG3 LYS 81 1HG LYS 81 2.286 17.332 4.021 652 HD2 LYS 81 2HD LYS 81 3.502 16.167 6.024 653 HD3 LYS 81 1HD LYS 81 4.097 17.782 6.428 654 HE2 LYS 81 2HE LYS 81 2.132 17.383 7.745 655 HE3 LYS 81 1HE LYS 81 1.687 18.540 6.494 656 HZ1 LYS 81 3HZ LYS 81 0.688 16.747 5.226 657 HZ2 LYS 81 1HZ LYS 81 0.009 16.815 6.772 658 HZ3 LYS 81 2HZ LYS 81 1.148 15.619 6.397 659 H LYS 82 H LYS 82 6.036 15.130 5.575 660 HA LYS 82 HA LYS 82 8.121 13.894 3.881 661 HB2 LYS 82 2HB LYS 82 7.777 13.658 6.903 662 HB3 LYS 82 1HB LYS 82 9.019 12.849 5.941 663 HG2 LYS 82 2HG LYS 82 9.881 15.107 5.270 664 HG3 LYS 82 1HG LYS 82 8.709 15.842 6.368 665 HD2 LYS 82 2HD LYS 82 9.789 14.707 8.283 666 HD3 LYS 82 1HD LYS 82 10.946 13.937 7.187 667 HE2 LYS 82 2HE LYS 82 11.870 16.120 6.586 668 HE3 LYS 82 1HE LYS 82 10.650 16.936 7.564 669 HZ1 LYS 82 3HZ LYS 82 12.790 16.787 8.679 670 HZ2 LYS 82 1HZ LYS 82 12.721 15.094 8.613 671 HZ3 LYS 82 2HZ LYS 82 11.587 15.953 9.527 672 H TYR 83 H TYR 83 7.974 11.712 3.564 673 HA TYR 83 HA TYR 83 5.397 10.361 4.077 674 HB2 TYR 83 2HB TYR 83 6.701 10.828 1.345 675 HB3 TYR 83 1HB TYR 83 5.308 9.814 1.593 676 HD1 TYR 83 1HD TYR 83 6.532 13.299 1.468 677 HD2 TYR 83 2HD TYR 83 3.095 10.811 1.840 678 HE1 TYR 83 1HE TYR 83 5.083 15.232 1.058 679 HE2 TYR 83 2HE TYR 83 1.664 12.729 1.447 680 HH TYR 83 HH TYR 83 1.773 15.214 1.672 681 H GLY 84 H GLY 84 5.535 8.069 3.677 682 HA2 GLY 84 2HA GLY 84 8.247 6.904 3.646 683 HA3 GLY 84 1HA GLY 84 7.157 6.584 4.994 684 H GLY 85 H GLY 85 8.207 5.404 2.071 685 HA2 GLY 85 2HA GLY 85 5.723 4.024 1.373 686 HA3 GLY 85 1HA GLY 85 7.213 4.050 0.461 687 H VAL 86 H VAL 86 6.330 1.765 0.451 688 HA VAL 86 HA VAL 86 8.090 0.054 1.814 689 HB VAL 86 HB VAL 86 6.658 0.268 3.726 690 HG11 VAL 86 1HG1 VAL 86 4.660 1.228 2.667 691 HG12 VAL 86 2HG1 VAL 86 4.231 -0.110 3.736 692 HG13 VAL 86 3HG1 VAL 86 4.249 -0.350 1.985 693 HG21 VAL 86 3HG2 VAL 86 5.801 -2.019 4.079 694 HG22 VAL 86 1HG2 VAL 86 7.400 -2.019 3.329 695 HG23 VAL 86 2HG2 VAL 86 5.968 -2.341 2.352 696 H ILE 87 H ILE 87 8.543 -1.332 0.179 697 HA ILE 87 HA ILE 87 6.471 -2.132 -1.753 698 HB ILE 87 HB ILE 87 9.463 -2.754 -1.797 699 HG12 ILE 87 2HG1 ILE 87 7.819 -1.080 -3.754 700 HG13 ILE 87 1HG1 ILE 87 8.717 -0.384 -2.430 701 HG21 ILE 87 1HG2 ILE 87 8.184 -4.657 -2.740 702 HG22 ILE 87 2HG2 ILE 87 9.045 -3.803 -4.022 703 HG23 ILE 87 3HG2 ILE 87 7.311 -3.554 -3.807 704 HD11 ILE 87 3HD1 ILE 87 9.935 -0.166 -4.497 705 HD12 ILE 87 1HD1 ILE 87 9.874 -1.909 -4.759 706 HD13 ILE 87 2HD1 ILE 87 10.803 -1.248 -3.409 707 H ILE 88 H ILE 88 5.271 -3.160 -0.240 708 HA ILE 88 HA ILE 88 6.378 -5.391 1.265 709 HB ILE 88 HB ILE 88 5.070 -3.957 2.620 710 HG12 ILE 88 2HG1 ILE 88 3.320 -6.383 2.014 711 HG13 ILE 88 1HG1 ILE 88 4.750 -6.392 3.040 712 HG21 ILE 88 1HG2 ILE 88 2.729 -3.327 2.189 713 HG22 ILE 88 2HG2 ILE 88 2.768 -4.190 0.651 714 HG23 ILE 88 3HG2 ILE 88 3.794 -2.770 0.896 715 HD11 ILE 88 3HD1 ILE 88 2.193 -4.878 3.562 716 HD12 ILE 88 1HD1 ILE 88 3.633 -4.846 4.588 717 HD13 ILE 88 2HD1 ILE 88 2.741 -6.350 4.360 718 H VAL 89 H VAL 89 6.676 -6.929 -0.132 719 HA VAL 89 HA VAL 89 5.029 -8.104 -1.996 720 HB VAL 89 HB VAL 89 7.097 -9.285 -0.082 721 HG11 VAL 89 1HG1 VAL 89 5.943 -10.609 -2.552 722 HG12 VAL 89 2HG1 VAL 89 5.620 -11.092 -0.881 723 HG13 VAL 89 3HG1 VAL 89 7.253 -11.232 -1.535 724 HG21 VAL 89 3HG2 VAL 89 8.597 -9.229 -1.978 725 HG22 VAL 89 1HG2 VAL 89 7.932 -7.607 -1.702 726 HG23 VAL 89 2HG2 VAL 89 7.295 -8.619 -3.012 727 H VAL 90 H VAL 90 3.499 -9.621 -1.877 728 HA VAL 90 HA VAL 90 2.766 -10.765 0.733 729 HB VAL 90 HB VAL 90 1.042 -9.130 0.401 730 HG11 VAL 90 1HG1 VAL 90 0.565 -10.175 -2.322 731 HG12 VAL 90 2HG1 VAL 90 1.243 -8.605 -1.880 732 HG13 VAL 90 3HG1 VAL 90 -0.434 -8.994 -1.468 733 HG21 VAL 90 3HG2 VAL 90 -0.122 -11.813 -0.386 734 HG22 VAL 90 1HG2 VAL 90 -0.996 -10.485 0.388 735 HG23 VAL 90 2HG2 VAL 90 0.284 -11.324 1.264 736 H LYS 91 H LYS 91 3.366 -12.770 0.565 737 HA LYS 91 HA LYS 91 3.381 -14.166 -1.970 738 HB2 LYS 91 2HB LYS 91 4.149 -15.087 0.828 739 HB3 LYS 91 1HB LYS 91 4.364 -16.031 -0.645 740 HG2 LYS 91 2HG LYS 91 5.931 -14.316 -1.514 741 HG3 LYS 91 1HG LYS 91 5.724 -13.377 -0.030 742 HD2 LYS 91 2HD LYS 91 6.883 -16.195 -0.210 743 HD3 LYS 91 1HD LYS 91 7.823 -14.713 -0.010 744 HE2 LYS 91 2HE LYS 91 6.800 -14.323 2.183 745 HE3 LYS 91 1HE LYS 91 5.747 -15.722 1.972 746 HZ1 LYS 91 3HZ LYS 91 8.708 -15.813 2.144 747 HZ2 LYS 91 1HZ LYS 91 7.681 -17.147 1.963 748 HZ3 LYS 91 2HZ LYS 91 7.628 -16.229 3.379 749 H TYR 92 H TYR 92 1.167 -14.117 -2.416 750 HA TYR 92 HA TYR 92 -0.762 -15.696 -1.055 751 HB2 TYR 92 2HB TYR 92 -0.503 -15.064 -4.032 752 HB3 TYR 92 1HB TYR 92 -1.917 -15.795 -3.282 753 HD1 TYR 92 1HD TYR 92 -3.333 -14.439 -1.737 754 HD2 TYR 92 2HD TYR 92 -0.123 -12.674 -3.885 755 HE1 TYR 92 1HE TYR 92 -4.242 -12.231 -1.262 756 HE2 TYR 92 2HE TYR 92 -1.046 -10.459 -3.394 757 HH TYR 92 HH TYR 92 -3.467 -9.882 -1.130 758 H GLU 93 H GLU 93 -1.618 -17.754 -2.382 759 HA GLU 93 HA GLU 93 0.071 -19.838 -1.711 760 HB2 GLU 93 2HB GLU 93 -2.547 -19.644 -2.305 761 HB3 GLU 93 1HB GLU 93 -2.016 -20.264 -3.861 762 HG2 GLU 93 2HG GLU 93 -1.645 -21.610 -1.169 763 HG3 GLU 93 1HG GLU 93 -2.862 -22.022 -2.369 764 H GLU 94 H GLU 94 -0.112 -18.118 -4.747 765 HA GLU 94 HA GLU 94 1.920 -19.830 -6.026 766 HB2 GLU 94 2HB GLU 94 -0.437 -18.619 -7.524 767 HB3 GLU 94 1HB GLU 94 0.743 -19.780 -8.135 768 HG2 GLU 94 2HG GLU 94 -0.197 -21.482 -6.572 769 HG3 GLU 94 1HG GLU 94 -1.397 -20.306 -6.047 770 H GLY 95 H GLY 95 1.208 -16.636 -5.068 771 HA2 GLY 95 2HA GLY 95 3.014 -15.446 -7.098 772 HA3 GLY 95 1HA GLY 95 1.374 -14.858 -7.029 773 H ASN 96 H ASN 96 4.124 -13.673 -6.454 774 HA ASN 96 HA ASN 96 3.594 -12.449 -3.806 775 HB2 ASN 96 2HB ASN 96 5.991 -11.970 -5.624 776 HB3 ASN 96 1HB ASN 96 5.797 -11.428 -3.974 777 HD21 ASN 96 1HD2 ASN 96 7.732 -12.386 -3.364 778 HD22 ASN 96 2HD2 ASN 96 7.885 -14.087 -3.146 779 H VAL 97 H VAL 97 2.605 -10.497 -3.770 780 HA VAL 97 HA VAL 97 2.741 -8.829 -6.226 781 HB VAL 97 HB VAL 97 0.652 -8.572 -4.026 782 HG11 VAL 97 1HG1 VAL 97 0.664 -7.535 -6.877 783 HG12 VAL 97 2HG1 VAL 97 0.915 -6.573 -5.420 784 HG13 VAL 97 3HG1 VAL 97 -0.649 -7.335 -5.710 785 HG21 VAL 97 3HG2 VAL 97 0.430 -10.785 -4.937 786 HG22 VAL 97 1HG2 VAL 97 0.429 -10.157 -6.592 787 HG23 VAL 97 2HG2 VAL 97 -0.907 -9.780 -5.495 788 H ASN 98 H ASN 98 4.100 -7.204 -5.999 789 HA ASN 98 HA ASN 98 5.290 -6.800 -3.342 790 HB2 ASN 98 2HB ASN 98 6.419 -5.932 -6.038 791 HB3 ASN 98 1HB ASN 98 7.291 -6.154 -4.525 792 HD21 ASN 98 1HD2 ASN 98 7.929 -7.345 -7.045 793 HD22 ASN 98 2HD2 ASN 98 7.826 -9.057 -6.873 794 H TYR 99 H TYR 99 3.386 -5.519 -2.793 795 HA TYR 99 HA TYR 99 2.456 -3.291 -4.219 796 HB2 TYR 99 2HB TYR 99 2.159 -4.109 -1.325 797 HB3 TYR 99 1HB TYR 99 1.414 -2.642 -1.940 798 HD1 TYR 99 2HD TYR 99 -0.310 -2.824 -3.798 799 HD2 TYR 99 1HD TYR 99 1.095 -6.231 -1.652 800 HE1 TYR 99 2HE TYR 99 -2.318 -4.064 -4.455 801 HE2 TYR 99 1HE TYR 99 -0.916 -7.456 -2.274 802 HH TYR 99 HH TYR 99 -3.210 -6.968 -2.943 803 H SER 100 H SER 100 3.836 -1.648 -4.717 804 HA SER 100 HA SER 100 5.591 -0.448 -2.746 805 HB2 SER 100 2HB SER 100 6.176 -0.431 -5.161 806 HB3 SER 100 1HB SER 100 4.794 0.594 -5.493 807 HG SER 100 HG SER 100 5.748 2.186 -4.160 808 H LEU 101 H LEU 101 3.828 -0.292 -1.218 809 HA LEU 101 HA LEU 101 1.804 1.750 -1.489 810 HB2 LEU 101 2HB LEU 101 2.692 0.087 0.898 811 HB3 LEU 101 1HB LEU 101 1.338 1.201 0.943 812 HG LEU 101 HG LEU 101 1.581 -1.385 -0.552 813 HD11 LEU 101 1HD1 LEU 101 0.676 -1.545 1.695 814 HD12 LEU 101 2HD1 LEU 101 -0.549 -1.944 0.495 815 HD13 LEU 101 3HD1 LEU 101 -0.569 -0.363 1.278 816 HD21 LEU 101 3HD2 LEU 101 0.767 0.119 -2.216 817 HD22 LEU 101 1HD2 LEU 101 -0.495 0.679 -1.111 818 HD23 LEU 101 2HD2 LEU 101 -0.504 -0.990 -1.699 819 H ALA 102 H ALA 102 1.729 3.647 -0.294 820 HA ALA 102 HA ALA 102 3.984 4.673 1.175 821 HB1 ALA 102 1HB ALA 102 4.603 6.475 -0.417 822 HB2 ALA 102 2HB ALA 102 3.493 5.797 -1.611 823 HB3 ALA 102 3HB ALA 102 4.906 4.875 -1.103 824 H TYR 103 H TYR 103 3.491 6.532 2.242 825 HA TYR 103 HA TYR 103 1.084 8.017 1.860 826 HB2 TYR 103 2HB TYR 103 0.266 7.349 4.269 827 HB3 TYR 103 1HB TYR 103 -0.134 6.351 2.884 828 HD1 TYR 103 2HD TYR 103 2.677 6.532 5.436 829 HD2 TYR 103 1HD TYR 103 -0.100 4.089 3.271 830 HE1 TYR 103 2HE TYR 103 3.427 4.535 6.683 831 HE2 TYR 103 1HE TYR 103 0.645 2.119 4.512 832 HH TYR 103 HH TYR 103 2.586 1.365 5.770 833 H ASP 104 H ASP 104 0.786 9.631 3.541 834 HA ASP 104 HA ASP 104 3.282 10.924 4.203 835 HB2 ASP 104 2HB ASP 104 1.423 12.186 3.338 836 HB3 ASP 104 1HB ASP 104 0.358 11.684 4.550 837 H GLU 105 H GLU 105 3.341 12.032 6.446 838 HA GLU 105 HA GLU 105 3.414 10.292 8.651 839 HB2 GLU 105 2HB GLU 105 3.018 13.311 8.524 840 HB3 GLU 105 1HB GLU 105 3.407 12.428 9.999 841 HG2 GLU 105 2HG GLU 105 5.564 11.868 9.249 842 HG3 GLU 105 1HG GLU 105 5.198 12.239 7.573 843 H ASP 106 H ASP 106 0.717 12.009 7.169 844 HA ASP 106 HA ASP 106 -1.221 11.664 9.276 845 HB2 ASP 106 2HB ASP 106 -1.466 13.352 7.426 846 HB3 ASP 106 1HB ASP 106 -1.653 12.040 6.278 847 H MET 107 H MET 107 0.025 9.738 6.639 848 HA MET 107 HA MET 107 0.208 7.481 6.455 849 HB2 MET 107 2HB MET 107 -0.111 7.218 8.858 850 HB3 MET 107 1HB MET 107 -1.844 7.372 8.688 851 HG2 MET 107 2HG MET 107 -2.019 5.244 7.660 852 HG3 MET 107 1HG MET 107 -0.262 5.115 7.510 853 HE1 MET 107 3HE MET 107 1.035 5.916 10.075 854 HE2 MET 107 1HE MET 107 1.310 4.335 9.342 855 HE3 MET 107 2HE MET 107 0.957 4.459 11.069 856 H ASN 108 H ASN 108 -1.934 9.432 5.435 857 HA ASN 108 HA ASN 108 -3.915 7.790 4.215 858 HB2 ASN 108 2HB ASN 108 -4.287 9.931 2.860 859 HB3 ASN 108 1HB ASN 108 -4.607 10.011 4.551 860 HD21 ASN 108 1HD2 ASN 108 -4.453 12.324 3.467 861 HD22 ASN 108 2HD2 ASN 108 -2.941 13.116 3.709 862 H LEU 109 H LEU 109 -3.731 6.638 2.308 863 HA LEU 109 HA LEU 109 -1.267 6.156 1.062 864 HB2 LEU 109 2HB LEU 109 -4.060 5.709 -0.087 865 HB3 LEU 109 1HB LEU 109 -2.605 5.246 -0.937 866 HG LEU 109 HG LEU 109 -3.393 3.269 -0.027 867 HD11 LEU 109 1HD1 LEU 109 -1.006 3.483 0.344 868 HD12 LEU 109 2HD1 LEU 109 -1.753 2.528 1.619 869 HD13 LEU 109 3HD1 LEU 109 -1.290 4.202 1.934 870 HD21 LEU 109 3HD2 LEU 109 -5.102 4.098 1.403 871 HD22 LEU 109 1HD2 LEU 109 -3.911 4.688 2.574 872 HD23 LEU 109 2HD2 LEU 109 -4.101 2.956 2.297 873 H VAL 110 H VAL 110 -0.132 7.507 0.103 874 HA VAL 110 HA VAL 110 -1.212 9.625 -1.599 875 HB VAL 110 HB VAL 110 0.662 9.626 0.477 876 HG11 VAL 110 1HG1 VAL 110 2.338 9.694 -2.030 877 HG12 VAL 110 2HG1 VAL 110 2.386 8.469 -0.759 878 HG13 VAL 110 3HG1 VAL 110 2.883 10.132 -0.406 879 HG21 VAL 110 3HG2 VAL 110 0.558 11.688 -1.728 880 HG22 VAL 110 1HG2 VAL 110 1.111 11.925 -0.064 881 HG23 VAL 110 2HG2 VAL 110 -0.581 11.552 -0.382 882 H SER 111 H SER 111 0.307 6.560 -1.636 883 HA SER 111 HA SER 111 0.204 6.380 -4.511 884 HB2 SER 111 2HB SER 111 2.882 5.945 -3.103 885 HB3 SER 111 1HB SER 111 2.541 5.558 -4.789 886 HG SER 111 HG SER 111 1.919 7.930 -4.840 887 H PHE 112 H PHE 112 -1.293 4.700 -4.269 888 HA PHE 112 HA PHE 112 -0.423 2.194 -2.931 889 HB2 PHE 112 2HB PHE 112 -2.753 2.666 -2.423 890 HB3 PHE 112 1HB PHE 112 -3.124 3.080 -4.090 891 HD1 PHE 112 2HD PHE 112 -2.350 0.208 -1.803 892 HD2 PHE 112 1HD PHE 112 -3.736 1.344 -5.702 893 HE1 PHE 112 2HE PHE 112 -3.071 -2.098 -2.236 894 HE2 PHE 112 1HE PHE 112 -4.471 -0.966 -6.099 895 HZ PHE 112 HZ PHE 112 -4.130 -2.695 -4.377 896 H THR 113 H THR 113 0.704 0.865 -4.186 897 HA THR 113 HA THR 113 0.010 0.497 -7.006 898 HB THR 113 HB THR 113 2.980 0.634 -6.703 899 HG1 THR 113 1HG THR 113 2.311 2.364 -5.246 900 HG21 THR 113 3HG2 THR 113 1.122 2.182 -8.539 901 HG22 THR 113 1HG2 THR 113 1.781 0.582 -8.890 902 HG23 THR 113 2HG2 THR 113 2.867 1.964 -8.738 903 H MET 114 H MET 114 1.294 -1.463 -7.885 904 HA MET 114 HA MET 114 2.076 -3.361 -5.787 905 HB2 MET 114 2HB MET 114 0.814 -5.188 -6.876 906 HB3 MET 114 1HB MET 114 -0.207 -3.947 -6.180 907 HG2 MET 114 2HG MET 114 0.431 -3.753 -9.078 908 HG3 MET 114 1HG MET 114 -0.703 -4.988 -8.559 909 HE1 MET 114 3HE MET 114 -3.097 -4.555 -7.719 910 HE2 MET 114 1HE MET 114 -3.689 -2.980 -7.185 911 HE3 MET 114 2HE MET 114 -2.420 -3.793 -6.276 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 12.457 19.550 -0.878 2 H2 GLY 1 2HT GLY 1 11.800 18.584 -2.097 3 H3 GLY 1 3HT GLY 1 13.295 19.333 -2.334 4 HA2 GLY 1 1HA GLY 1 14.295 18.003 -0.594 5 HA3 GLY 1 2HA GLY 1 12.739 17.236 -0.307 6 H GLU 2 H GLU 2 13.717 15.185 -0.722 7 HA GLU 2 HA GLU 2 14.006 14.504 -3.587 8 HB2 GLU 2 2HB GLU 2 15.950 13.057 -3.091 9 HB3 GLU 2 1HB GLU 2 16.307 14.737 -2.742 10 HG2 GLU 2 2HG GLU 2 15.542 12.735 -0.589 11 HG3 GLU 2 1HG GLU 2 17.200 13.022 -1.094 12 H ILE 3 H ILE 3 13.852 12.153 -3.955 13 HA ILE 3 HA ILE 3 11.897 10.887 -2.123 14 HB ILE 3 HB ILE 3 12.447 10.201 -5.063 15 HG12 ILE 3 2HG1 ILE 3 11.687 12.566 -4.959 16 HG13 ILE 3 1HG1 ILE 3 10.507 11.543 -5.756 17 HG21 ILE 3 1HG2 ILE 3 10.248 9.100 -5.035 18 HG22 ILE 3 2HG2 ILE 3 10.036 9.540 -3.341 19 HG23 ILE 3 3HG2 ILE 3 11.316 8.419 -3.805 20 HD11 ILE 3 3HD1 ILE 3 9.441 13.178 -4.351 21 HD12 ILE 3 1HD1 ILE 3 10.338 12.610 -2.944 22 HD13 ILE 3 2HD1 ILE 3 9.143 11.562 -3.715 23 H LEU 4 H LEU 4 12.963 9.477 -0.829 24 HA LEU 4 HA LEU 4 15.597 8.533 -1.475 25 HB2 LEU 4 2HB LEU 4 14.037 7.898 1.046 26 HB3 LEU 4 1HB LEU 4 15.769 7.756 0.800 27 HG LEU 4 HG LEU 4 15.686 10.340 0.456 28 HD11 LEU 4 1HD1 LEU 4 13.332 10.548 0.241 29 HD12 LEU 4 2HD1 LEU 4 13.941 11.523 1.580 30 HD13 LEU 4 3HD1 LEU 4 13.111 9.993 1.898 31 HD21 LEU 4 3HD2 LEU 4 16.771 9.276 2.390 32 HD22 LEU 4 1HD2 LEU 4 15.203 9.171 3.194 33 HD23 LEU 4 2HD2 LEU 4 15.926 10.749 2.867 34 H LYS 5 H LYS 5 16.222 6.321 -0.870 35 HA LYS 5 HA LYS 5 14.352 4.195 -1.661 36 HB2 LYS 5 2HB LYS 5 17.356 4.233 -1.280 37 HB3 LYS 5 1HB LYS 5 16.428 2.900 -1.926 38 HG2 LYS 5 2HG LYS 5 16.058 3.948 -3.987 39 HG3 LYS 5 1HG LYS 5 16.294 5.568 -3.316 40 HD2 LYS 5 2HD LYS 5 18.190 4.957 -4.754 41 HD3 LYS 5 1HD LYS 5 18.700 5.133 -3.069 42 HE2 LYS 5 2HE LYS 5 18.671 2.667 -2.817 43 HE3 LYS 5 1HE LYS 5 18.164 2.501 -4.499 44 HZ1 LYS 5 3HZ LYS 5 20.722 3.689 -3.571 45 HZ2 LYS 5 1HZ LYS 5 20.237 3.542 -5.182 46 HZ3 LYS 5 2HZ LYS 5 20.530 2.159 -4.255 47 H GLU 6 H GLU 6 14.594 5.637 1.064 48 HA GLU 6 HA GLU 6 14.591 3.355 2.869 49 HB2 GLU 6 2HB GLU 6 16.397 4.107 4.299 50 HB3 GLU 6 1HB GLU 6 17.044 3.958 2.670 51 HG2 GLU 6 2HG GLU 6 16.949 6.389 2.370 52 HG3 GLU 6 1HG GLU 6 16.189 6.589 3.949 53 H LEU 7 H LEU 7 14.223 4.230 5.212 54 HA LEU 7 HA LEU 7 12.129 6.279 5.087 55 HB2 LEU 7 2HB LEU 7 12.941 4.382 7.324 56 HB3 LEU 7 1HB LEU 7 11.665 5.585 7.481 57 HG LEU 7 HG LEU 7 11.707 3.047 5.866 58 HD11 LEU 7 1HD1 LEU 7 10.946 2.861 8.143 59 HD12 LEU 7 2HD1 LEU 7 9.656 2.527 6.995 60 HD13 LEU 7 3HD1 LEU 7 9.692 4.076 7.851 61 HD21 LEU 7 3HD2 LEU 7 9.559 3.668 4.812 62 HD22 LEU 7 1HD2 LEU 7 10.890 4.693 4.285 63 HD23 LEU 7 2HD2 LEU 7 9.721 5.306 5.460 64 HA PRO 8 HA PRO 8 15.018 9.237 7.146 65 HB2 PRO 8 2HB PRO 8 13.628 11.490 6.436 66 HB3 PRO 8 1HB PRO 8 14.765 10.703 5.323 67 HG2 PRO 8 2HG PRO 8 11.773 10.498 5.408 68 HG3 PRO 8 1HG PRO 8 12.848 10.690 4.002 69 HD2 PRO 8 2HD PRO 8 11.818 8.256 4.732 70 HD3 PRO 8 1HD PRO 8 13.387 8.431 3.930 71 H GLU 9 H GLU 9 13.775 11.430 8.361 72 HA GLU 9 HA GLU 9 12.706 10.249 10.716 73 HB2 GLU 9 2HB GLU 9 12.899 13.178 9.901 74 HB3 GLU 9 1HB GLU 9 12.535 12.603 11.530 75 HG2 GLU 9 2HG GLU 9 14.727 11.475 11.614 76 HG3 GLU 9 1HG GLU 9 15.095 12.089 10.004 77 H GLY 10 H GLY 10 10.708 10.447 11.670 78 HA2 GLY 10 2HA GLY 10 8.509 11.455 11.800 79 HA3 GLY 10 1HA GLY 10 8.485 11.501 10.048 80 H PHE 11 H PHE 11 9.797 8.577 10.522 81 HA PHE 11 HA PHE 11 7.165 7.183 10.496 82 HB2 PHE 11 2HB PHE 11 9.476 6.268 8.765 83 HB3 PHE 11 1HB PHE 11 7.779 5.957 8.544 84 HD1 PHE 11 2HD PHE 11 6.348 8.314 8.216 85 HD2 PHE 11 1HD PHE 11 10.448 7.649 7.246 86 HE1 PHE 11 2HE PHE 11 6.298 10.215 6.676 87 HE2 PHE 11 1HE PHE 11 10.374 9.560 5.719 88 HZ PHE 11 HZ PHE 11 8.323 10.820 5.439 89 H ASP 12 H ASP 12 7.862 4.635 10.335 90 HA ASP 12 HA ASP 12 10.079 3.805 11.989 91 HB2 ASP 12 2HB ASP 12 8.344 4.426 13.712 92 HB3 ASP 12 1HB ASP 12 7.197 3.360 12.955 93 H LYS 13 H LYS 13 10.744 1.954 11.144 94 HA LYS 13 HA LYS 13 9.702 0.887 8.846 95 HB2 LYS 13 2HB LYS 13 11.998 0.511 10.594 96 HB3 LYS 13 1HB LYS 13 11.476 -1.046 10.022 97 HG2 LYS 13 2HG LYS 13 11.704 -0.371 7.738 98 HG3 LYS 13 1HG LYS 13 11.971 1.306 8.214 99 HD2 LYS 13 2HD LYS 13 13.860 -0.913 9.082 100 HD3 LYS 13 1HD LYS 13 14.039 -0.119 7.511 101 HE2 LYS 13 2HE LYS 13 14.466 1.978 8.480 102 HE3 LYS 13 1HE LYS 13 13.812 1.484 10.045 103 HZ1 LYS 13 3HZ LYS 13 16.237 1.663 10.036 104 HZ2 LYS 13 1HZ LYS 13 16.338 0.460 8.854 105 HZ3 LYS 13 2HZ LYS 13 15.730 0.091 10.384 106 H GLU 14 H GLU 14 8.966 -0.111 12.152 107 HA GLU 14 HA GLU 14 7.697 -2.613 11.252 108 HB2 GLU 14 2HB GLU 14 8.056 -1.415 14.025 109 HB3 GLU 14 1HB GLU 14 7.226 -2.941 13.719 110 HG2 GLU 14 2HG GLU 14 9.277 -3.897 12.758 111 HG3 GLU 14 1HG GLU 14 10.116 -2.363 12.989 112 H THR 15 H THR 15 6.831 0.613 12.320 113 HA THR 15 HA THR 15 3.986 0.154 12.474 114 HB THR 15 HB THR 15 5.599 2.762 12.391 115 HG1 THR 15 1HG THR 15 6.029 1.349 14.180 116 HG21 THR 15 3HG2 THR 15 3.593 3.819 13.421 117 HG22 THR 15 1HG2 THR 15 2.703 2.306 13.260 118 HG23 THR 15 2HG2 THR 15 3.210 3.187 11.816 119 H VAL 16 H VAL 16 6.251 0.995 9.973 120 HA VAL 16 HA VAL 16 4.297 2.066 8.128 121 HB VAL 16 HB VAL 16 7.298 1.659 7.845 122 HG11 VAL 16 1HG1 VAL 16 7.158 2.840 5.649 123 HG12 VAL 16 2HG1 VAL 16 5.396 2.754 5.735 124 HG13 VAL 16 3HG1 VAL 16 6.346 1.272 5.613 125 HG21 VAL 16 3HG2 VAL 16 7.353 4.141 7.762 126 HG22 VAL 16 1HG2 VAL 16 6.583 3.569 9.249 127 HG23 VAL 16 2HG2 VAL 16 5.595 4.182 7.921 128 H ARG 17 H ARG 17 6.202 -0.859 8.515 129 HA ARG 17 HA ARG 17 5.216 -2.354 6.373 130 HB2 ARG 17 2HB ARG 17 7.081 -3.008 7.844 131 HB3 ARG 17 1HB ARG 17 5.948 -3.321 9.148 132 HG2 ARG 17 2HG ARG 17 5.518 -4.766 6.549 133 HG3 ARG 17 1HG ARG 17 6.882 -5.248 7.534 134 HD2 ARG 17 2HD ARG 17 5.351 -5.665 9.434 135 HD3 ARG 17 1HD ARG 17 3.991 -5.180 8.431 136 HE ARG 17 HE ARG 17 4.198 -7.147 7.179 137 HH11 ARG 17 1HH1 ARG 17 6.525 -7.081 9.820 138 HH12 ARG 17 2HH1 ARG 17 6.822 -8.791 9.750 139 HH21 ARG 17 1HH2 ARG 17 4.532 -9.373 7.144 140 HH22 ARG 17 2HH2 ARG 17 5.680 -10.091 8.227 141 H LYS 18 H LYS 18 3.841 -1.637 9.547 142 HA LYS 18 HA LYS 18 1.784 -3.597 9.532 143 HB2 LYS 18 2HB LYS 18 2.980 -2.019 11.468 144 HB3 LYS 18 1HB LYS 18 1.439 -1.210 11.303 145 HG2 LYS 18 2HG LYS 18 1.819 -4.147 11.954 146 HG3 LYS 18 1HG LYS 18 1.477 -2.878 13.131 147 HD2 LYS 18 2HD LYS 18 -0.717 -2.466 12.055 148 HD3 LYS 18 1HD LYS 18 -0.372 -3.717 10.854 149 HE2 LYS 18 2HE LYS 18 -1.861 -4.551 12.636 150 HE3 LYS 18 1HE LYS 18 -0.329 -5.422 12.626 151 HZ1 LYS 18 3HZ LYS 18 0.414 -4.111 14.487 152 HZ2 LYS 18 1HZ LYS 18 -1.066 -4.837 14.867 153 HZ3 LYS 18 2HZ LYS 18 -1.004 -3.193 14.473 154 H GLN 19 H GLN 19 1.881 -0.127 8.802 155 HA GLN 19 HA GLN 19 -0.985 0.103 8.244 156 HB2 GLN 19 2HB GLN 19 0.726 1.886 9.304 157 HB3 GLN 19 1HB GLN 19 1.035 2.283 7.632 158 HG2 GLN 19 2HG GLN 19 -1.587 2.540 9.117 159 HG3 GLN 19 1HG GLN 19 -0.552 3.849 8.588 160 HE21 GLN 19 1HE2 GLN 19 -2.828 1.430 7.565 161 HE22 GLN 19 2HE2 GLN 19 -3.150 2.095 6.015 162 H ALA 20 H ALA 20 -0.265 -1.749 6.676 163 HA ALA 20 HA ALA 20 -0.383 -0.813 3.977 164 HB1 ALA 20 1HB ALA 20 2.065 -0.650 4.344 165 HB2 ALA 20 2HB ALA 20 1.680 -1.930 3.189 166 HB3 ALA 20 3HB ALA 20 2.115 -2.342 4.853 167 H MET 21 H MET 21 0.390 -3.496 6.179 168 HA MET 21 HA MET 21 -0.397 -5.690 4.657 169 HB2 MET 21 2HB MET 21 -0.688 -5.481 7.691 170 HB3 MET 21 1HB MET 21 -0.510 -6.951 6.743 171 HG2 MET 21 2HG MET 21 1.768 -5.868 6.028 172 HG3 MET 21 1HG MET 21 1.555 -4.921 7.492 173 HE1 MET 21 3HE MET 21 1.369 -7.962 10.118 174 HE2 MET 21 1HE MET 21 -0.025 -7.361 9.229 175 HE3 MET 21 2HE MET 21 1.124 -6.222 9.938 176 H GLU 22 H GLU 22 -2.241 -3.821 7.014 177 HA GLU 22 HA GLU 22 -4.704 -5.134 7.001 178 HB2 GLU 22 2HB GLU 22 -4.172 -2.148 7.392 179 HB3 GLU 22 1HB GLU 22 -5.594 -3.022 7.962 180 HG2 GLU 22 2HG GLU 22 -4.265 -4.262 9.571 181 HG3 GLU 22 1HG GLU 22 -2.769 -3.603 8.909 182 H ASP 23 H ASP 23 -3.534 -2.400 5.092 183 HA ASP 23 HA ASP 23 -5.964 -1.795 3.749 184 HB2 ASP 23 2HB ASP 23 -3.127 -1.022 2.913 185 HB3 ASP 23 1HB ASP 23 -4.623 -0.190 2.481 186 H ILE 24 H ILE 24 -3.254 -3.886 2.981 187 HA ILE 24 HA ILE 24 -3.754 -4.470 0.257 188 HB ILE 24 HB ILE 24 -2.549 -6.199 2.474 189 HG12 ILE 24 2HG1 ILE 24 -1.110 -4.748 0.216 190 HG13 ILE 24 1HG1 ILE 24 -1.312 -4.083 1.826 191 HG21 ILE 24 1HG2 ILE 24 -1.616 -7.687 0.725 192 HG22 ILE 24 2HG2 ILE 24 -2.506 -6.792 -0.507 193 HG23 ILE 24 3HG2 ILE 24 -3.385 -7.707 0.718 194 HD11 ILE 24 3HD1 ILE 24 0.220 -6.582 1.112 195 HD12 ILE 24 1HD1 ILE 24 -0.017 -5.960 2.749 196 HD13 ILE 24 2HD1 ILE 24 0.890 -5.017 1.569 197 H GLU 25 H GLU 25 -4.905 -5.918 3.283 198 HA GLU 25 HA GLU 25 -6.373 -8.031 2.054 199 HB2 GLU 25 2HB GLU 25 -6.410 -7.004 4.913 200 HB3 GLU 25 1HB GLU 25 -7.095 -8.540 4.372 201 HG2 GLU 25 2HG GLU 25 -4.920 -9.433 3.856 202 HG3 GLU 25 1HG GLU 25 -4.143 -7.862 4.083 203 H ILE 26 H ILE 26 -7.274 -4.902 3.409 204 HA ILE 26 HA ILE 26 -10.111 -5.166 3.118 205 HB ILE 26 HB ILE 26 -8.332 -2.692 3.312 206 HG12 ILE 26 2HG1 ILE 26 -10.006 -3.941 5.536 207 HG13 ILE 26 1HG1 ILE 26 -8.332 -4.402 5.250 208 HG21 ILE 26 1HG2 ILE 26 -10.351 -1.431 4.003 209 HG22 ILE 26 2HG2 ILE 26 -11.345 -2.851 3.676 210 HG23 ILE 26 3HG2 ILE 26 -10.505 -2.045 2.352 211 HD11 ILE 26 3HD1 ILE 26 -9.259 -1.615 5.935 212 HD12 ILE 26 1HD1 ILE 26 -7.595 -2.158 5.687 213 HD13 ILE 26 2HD1 ILE 26 -8.531 -2.785 7.039 214 H ALA 27 H ALA 27 -7.484 -4.348 0.941 215 HA ALA 27 HA ALA 27 -9.068 -3.254 -1.196 216 HB1 ALA 27 1HB ALA 27 -6.656 -2.780 -1.050 217 HB2 ALA 27 2HB ALA 27 -7.058 -3.550 -2.588 218 HB3 ALA 27 3HB ALA 27 -6.294 -4.488 -1.301 219 H GLN 28 H GLN 28 -7.687 -6.464 -0.441 220 HA GLN 28 HA GLN 28 -8.479 -7.906 -2.703 221 HB2 GLN 28 2HB GLN 28 -8.213 -8.898 0.165 222 HB3 GLN 28 1HB GLN 28 -8.302 -9.941 -1.250 223 HG2 GLN 28 2HG GLN 28 -6.158 -9.122 -2.045 224 HG3 GLN 28 1HG GLN 28 -6.083 -7.948 -0.732 225 HE21 GLN 28 1HE2 GLN 28 -7.200 -11.285 -0.321 226 HE22 GLN 28 2HE2 GLN 28 -5.878 -11.796 0.647 227 H SER 29 H SER 29 -10.244 -7.079 0.226 228 HA SER 29 HA SER 29 -12.491 -8.798 -0.166 229 HB2 SER 29 2HB SER 29 -12.197 -6.331 1.600 230 HB3 SER 29 1HB SER 29 -13.479 -7.541 1.725 231 HG SER 29 HG SER 29 -11.678 -7.796 3.184 232 H LYS 30 H LYS 30 -11.614 -5.981 -1.798 233 HA LYS 30 HA LYS 30 -12.564 -4.563 -3.226 234 HB2 LYS 30 2HB LYS 30 -13.523 -6.629 -4.234 235 HB3 LYS 30 1HB LYS 30 -14.919 -6.498 -3.181 236 HG2 LYS 30 2HG LYS 30 -15.421 -4.289 -4.263 237 HG3 LYS 30 1HG LYS 30 -14.131 -4.610 -5.416 238 HD2 LYS 30 2HD LYS 30 -16.613 -6.331 -5.024 239 HD3 LYS 30 1HD LYS 30 -16.410 -5.127 -6.297 240 HE2 LYS 30 2HE LYS 30 -14.385 -6.455 -7.067 241 HE3 LYS 30 1HE LYS 30 -14.885 -7.720 -5.939 242 HZ1 LYS 30 3HZ LYS 30 -16.483 -6.656 -8.207 243 HZ2 LYS 30 1HZ LYS 30 -17.012 -7.833 -7.116 244 HZ3 LYS 30 2HZ LYS 30 -15.716 -8.160 -8.151 245 H ASP 31 H ASP 31 -12.374 -3.405 -1.110 246 HA ASP 31 HA ASP 31 -14.949 -2.168 -0.369 247 HB2 ASP 31 2HB ASP 31 -12.246 -2.083 1.024 248 HB3 ASP 31 1HB ASP 31 -13.593 -1.045 1.473 249 H TYR 32 H TYR 32 -15.352 -0.172 -0.885 250 HA TYR 32 HA TYR 32 -13.438 1.339 -2.531 251 HB2 TYR 32 2HB TYR 32 -16.339 2.171 -2.346 252 HB3 TYR 32 1HB TYR 32 -15.256 2.228 -3.732 253 HD1 TYR 32 1HD TYR 32 -14.398 -0.621 -3.951 254 HD2 TYR 32 2HD TYR 32 -18.253 1.010 -3.113 255 HE1 TYR 32 1HE TYR 32 -15.422 -2.674 -4.740 256 HE2 TYR 32 2HE TYR 32 -19.301 -1.062 -3.946 257 HH TYR 32 HH TYR 32 -17.609 -3.908 -4.415 258 H GLU 33 H GLU 33 -16.162 2.187 -0.376 259 HA GLU 33 HA GLU 33 -15.044 4.701 0.399 260 HB2 GLU 33 2HB GLU 33 -17.445 3.185 1.514 261 HB3 GLU 33 1HB GLU 33 -17.060 4.870 1.853 262 HG2 GLU 33 2HG GLU 33 -17.347 5.411 -0.551 263 HG3 GLU 33 1HG GLU 33 -17.758 3.729 -0.871 264 H SER 34 H SER 34 -15.246 1.502 1.939 265 HA SER 34 HA SER 34 -14.438 2.288 4.559 266 HB2 SER 34 2HB SER 34 -14.144 -0.440 3.228 267 HB3 SER 34 1HB SER 34 -14.113 -0.119 4.965 268 HG SER 34 HG SER 34 -16.163 -0.848 3.832 269 H TRP 35 H TRP 35 -12.771 1.373 1.651 270 HA TRP 35 HA TRP 35 -10.148 1.048 2.816 271 HB2 TRP 35 2HB TRP 35 -11.092 -0.234 0.843 272 HB3 TRP 35 1HB TRP 35 -11.000 1.244 -0.103 273 HD1 TRP 35 HD TRP 35 -8.318 -0.494 2.170 274 HE1 TRP 35 1HE TRP 35 -6.214 -0.839 0.738 275 HE3 TRP 35 3HE TRP 35 -10.037 1.374 -2.273 276 HZ2 TRP 35 2HZ TRP 35 -5.401 -0.397 -1.912 277 HZ3 TRP 35 3HZ TRP 35 -8.525 1.376 -4.217 278 HH2 TRP 35 HH TRP 35 -6.249 0.504 -4.038 279 H LYS 36 H LYS 36 -11.878 3.461 0.851 280 HA LYS 36 HA LYS 36 -9.985 5.437 0.344 281 HB2 LYS 36 2HB LYS 36 -12.992 5.502 0.848 282 HB3 LYS 36 1HB LYS 36 -12.142 7.024 0.653 283 HG2 LYS 36 2HG LYS 36 -11.585 6.572 -1.594 284 HG3 LYS 36 1HG LYS 36 -11.936 4.855 -1.430 285 HD2 LYS 36 2HD LYS 36 -13.660 5.944 -2.767 286 HD3 LYS 36 1HD LYS 36 -14.353 5.348 -1.265 287 HE2 LYS 36 2HE LYS 36 -13.578 8.247 -1.742 288 HE3 LYS 36 1HE LYS 36 -15.185 7.604 -2.048 289 HZ1 LYS 36 3HZ LYS 36 -15.272 6.981 0.338 290 HZ2 LYS 36 1HZ LYS 36 -15.189 8.643 0.062 291 HZ3 LYS 36 2HZ LYS 36 -13.820 7.811 0.577 292 H SER 37 H SER 37 -11.656 4.669 3.348 293 HA SER 37 HA SER 37 -11.527 6.992 4.832 294 HB2 SER 37 2HB SER 37 -11.111 4.172 5.915 295 HB3 SER 37 1HB SER 37 -11.739 5.561 6.809 296 HG SER 37 HG SER 37 -13.238 5.258 4.642 297 H ARG 38 H ARG 38 -9.025 4.546 4.319 298 HA ARG 38 HA ARG 38 -7.123 5.718 6.150 299 HB2 ARG 38 2HB ARG 38 -6.999 3.343 4.274 300 HB3 ARG 38 1HB ARG 38 -5.563 3.934 5.096 301 HG2 ARG 38 2HG ARG 38 -6.385 2.097 6.364 302 HG3 ARG 38 1HG ARG 38 -6.723 3.562 7.286 303 HD2 ARG 38 2HD ARG 38 -9.069 3.485 6.637 304 HD3 ARG 38 1HD ARG 38 -8.755 2.131 5.549 305 HE ARG 38 HE ARG 38 -7.983 1.546 8.235 306 HH11 ARG 38 1HH1 ARG 38 -10.820 1.701 6.153 307 HH12 ARG 38 2HH1 ARG 38 -11.713 0.560 7.102 308 HH21 ARG 38 1HH2 ARG 38 -9.143 0.051 9.423 309 HH22 ARG 38 2HH2 ARG 38 -10.759 -0.376 8.961 310 H PHE 39 H PHE 39 -7.912 6.039 2.811 311 HA PHE 39 HA PHE 39 -5.353 7.010 1.897 312 HB2 PHE 39 2HB PHE 39 -8.125 6.809 0.646 313 HB3 PHE 39 1HB PHE 39 -6.855 7.727 -0.154 314 HD1 PHE 39 2HD PHE 39 -7.459 4.358 1.340 315 HD2 PHE 39 1HD PHE 39 -5.430 6.648 -1.631 316 HE1 PHE 39 2HE PHE 39 -6.512 2.306 0.392 317 HE2 PHE 39 1HE PHE 39 -4.507 4.615 -2.596 318 HZ PHE 39 HZ PHE 39 -5.037 2.418 -1.592 319 H THR 40 H THR 40 -5.045 9.115 0.978 320 HA THR 40 HA THR 40 -5.894 11.395 2.428 321 HB THR 40 HB THR 40 -4.983 12.720 0.508 322 HG1 THR 40 1HG THR 40 -4.288 10.358 -0.834 323 HG21 THR 40 3HG2 THR 40 -3.212 10.348 1.135 324 HG22 THR 40 1HG2 THR 40 -3.329 11.825 2.101 325 HG23 THR 40 2HG2 THR 40 -2.680 11.886 0.460 326 H LYS 41 H LYS 41 -7.572 12.859 1.982 327 HA LYS 41 HA LYS 41 -9.918 12.172 0.677 328 HB2 LYS 41 2HB LYS 41 -8.706 14.753 1.554 329 HB3 LYS 41 1HB LYS 41 -10.205 14.792 0.643 330 HG2 LYS 41 2HG LYS 41 -11.349 13.474 2.331 331 HG3 LYS 41 1HG LYS 41 -9.841 13.169 3.201 332 HD2 LYS 41 2HD LYS 41 -9.677 15.482 3.854 333 HD3 LYS 41 1HD LYS 41 -11.027 15.935 2.816 334 HE2 LYS 41 2HE LYS 41 -12.545 14.584 4.244 335 HE3 LYS 41 1HE LYS 41 -11.178 14.181 5.288 336 HZ1 LYS 41 3HZ LYS 41 -12.191 16.938 4.805 337 HZ2 LYS 41 1HZ LYS 41 -10.943 16.496 5.858 338 HZ3 LYS 41 2HZ LYS 41 -12.527 15.998 6.169 339 H ASP 42 H ASP 42 -7.049 13.604 -0.623 340 HA ASP 42 HA ASP 42 -7.692 14.355 -3.193 341 HB2 ASP 42 2HB ASP 42 -5.442 14.399 -1.874 342 HB3 ASP 42 1HB ASP 42 -5.214 12.756 -2.414 343 H LEU 43 H LEU 43 -6.497 11.174 -2.076 344 HA LEU 43 HA LEU 43 -6.870 9.772 -4.500 345 HB2 LEU 43 2HB LEU 43 -6.411 8.907 -1.637 346 HB3 LEU 43 1HB LEU 43 -6.633 7.730 -2.907 347 HG LEU 43 HG LEU 43 -4.178 8.737 -2.053 348 HD11 LEU 43 1HD1 LEU 43 -3.166 7.594 -3.955 349 HD12 LEU 43 2HD1 LEU 43 -4.730 7.531 -4.776 350 HD13 LEU 43 3HD1 LEU 43 -4.480 6.639 -3.276 351 HD21 LEU 43 3HD2 LEU 43 -3.180 10.026 -3.805 352 HD22 LEU 43 1HD2 LEU 43 -4.540 10.887 -3.097 353 HD23 LEU 43 2HD2 LEU 43 -4.717 10.110 -4.672 354 H GLN 44 H GLN 44 -9.045 10.327 -1.737 355 HA GLN 44 HA GLN 44 -10.759 8.145 -2.003 356 HB2 GLN 44 2HB GLN 44 -11.526 10.924 -1.065 357 HB3 GLN 44 1HB GLN 44 -12.426 9.431 -0.757 358 HG2 GLN 44 2HG GLN 44 -10.473 8.535 0.485 359 HG3 GLN 44 1HG GLN 44 -9.622 10.049 0.201 360 HE21 GLN 44 1HE2 GLN 44 -9.839 9.239 2.699 361 HE22 GLN 44 2HE2 GLN 44 -10.994 10.163 3.546 362 H SER 45 H SER 45 -11.080 11.396 -3.440 363 HA SER 45 HA SER 45 -13.330 10.661 -5.125 364 HB2 SER 45 2HB SER 45 -11.729 13.219 -5.054 365 HB3 SER 45 1HB SER 45 -13.291 12.999 -5.845 366 HG SER 45 HG SER 45 -13.510 13.973 -3.809 367 H SER 46 H SER 46 -10.021 10.228 -5.354 368 HA SER 46 HA SER 46 -9.798 10.585 -8.253 369 HB2 SER 46 2HB SER 46 -7.964 11.417 -6.788 370 HB3 SER 46 1HB SER 46 -7.669 9.774 -6.228 371 HG SER 46 HG SER 46 -6.255 10.003 -7.839 372 H LEU 47 H LEU 47 -10.407 8.069 -5.922 373 HA LEU 47 HA LEU 47 -9.200 5.825 -7.046 374 HB2 LEU 47 2HB LEU 47 -11.790 5.991 -5.508 375 HB3 LEU 47 1HB LEU 47 -11.086 4.475 -6.037 376 HG LEU 47 HG LEU 47 -10.284 6.259 -3.776 377 HD11 LEU 47 1HD1 LEU 47 -11.462 4.201 -3.376 378 HD12 LEU 47 2HD1 LEU 47 -9.832 4.081 -2.719 379 HD13 LEU 47 3HD1 LEU 47 -10.229 3.292 -4.255 380 HD21 LEU 47 3HD2 LEU 47 -8.170 4.600 -5.186 381 HD22 LEU 47 1HD2 LEU 47 -8.005 5.396 -3.612 382 HD23 LEU 47 2HD2 LEU 47 -8.202 6.363 -5.077 383 H THR 48 H THR 48 -9.589 4.573 -8.698 384 HA THR 48 HA THR 48 -11.854 5.186 -10.522 385 HB THR 48 HB THR 48 -10.307 4.143 -12.319 386 HG1 THR 48 1HG THR 48 -8.207 4.869 -10.559 387 HG21 THR 48 3HG2 THR 48 -10.760 6.558 -12.267 388 HG22 THR 48 1HG2 THR 48 -9.072 6.249 -12.699 389 HG23 THR 48 2HG2 THR 48 -9.481 6.779 -11.067 390 H GLU 49 H GLU 49 -13.058 3.533 -11.339 391 HA GLU 49 HA GLU 49 -13.465 1.302 -9.715 392 HB2 GLU 49 2HB GLU 49 -14.482 1.932 -12.486 393 HB3 GLU 49 1HB GLU 49 -15.086 0.602 -11.518 394 HG2 GLU 49 2HG GLU 49 -15.971 2.111 -9.848 395 HG3 GLU 49 1HG GLU 49 -15.180 3.491 -10.606 396 H GLU 50 H GLU 50 -11.792 1.653 -12.785 397 HA GLU 50 HA GLU 50 -11.325 -1.075 -13.314 398 HB2 GLU 50 2HB GLU 50 -11.222 0.914 -14.928 399 HB3 GLU 50 1HB GLU 50 -9.649 1.302 -14.236 400 HG2 GLU 50 2HG GLU 50 -8.835 -0.945 -14.918 401 HG3 GLU 50 1HG GLU 50 -10.400 -1.259 -15.658 402 H SER 51 H SER 51 -9.584 1.351 -11.409 403 HA SER 51 HA SER 51 -7.153 -0.089 -11.082 404 HB2 SER 51 2HB SER 51 -7.305 2.330 -10.641 405 HB3 SER 51 1HB SER 51 -8.368 2.029 -9.269 406 HG SER 51 HG SER 51 -6.600 0.839 -8.323 407 H TYR 52 H TYR 52 -10.300 -0.297 -9.458 408 HA TYR 52 HA TYR 52 -9.163 -2.208 -7.506 409 HB2 TYR 52 2HB TYR 52 -10.971 -1.880 -6.052 410 HB3 TYR 52 1HB TYR 52 -10.694 -0.276 -6.696 411 HD1 TYR 52 2HD TYR 52 -12.980 -3.245 -6.953 412 HD2 TYR 52 1HD TYR 52 -12.547 0.933 -7.735 413 HE1 TYR 52 2HE TYR 52 -15.376 -3.086 -7.436 414 HE2 TYR 52 1HE TYR 52 -14.949 1.084 -8.163 415 HH TYR 52 HH TYR 52 -16.803 -0.363 -8.864 416 H ASP 53 H ASP 53 -10.201 -2.459 -10.568 417 HA ASP 53 HA ASP 53 -11.731 -4.984 -10.154 418 HB2 ASP 53 2HB ASP 53 -13.030 -3.133 -11.222 419 HB3 ASP 53 1HB ASP 53 -11.859 -3.055 -12.524 420 H SER 54 H SER 54 -9.668 -3.405 -12.619 421 HA SER 54 HA SER 54 -9.006 -5.648 -14.112 422 HB2 SER 54 2HB SER 54 -8.642 -3.379 -14.954 423 HB3 SER 54 1HB SER 54 -7.418 -3.076 -13.722 424 HG SER 54 HG SER 54 -7.015 -5.302 -15.337 425 H TYR 55 H TYR 55 -7.443 -4.361 -11.189 426 HA TYR 55 HA TYR 55 -5.118 -6.003 -11.342 427 HB2 TYR 55 2HB TYR 55 -4.396 -4.940 -9.428 428 HB3 TYR 55 1HB TYR 55 -5.613 -3.777 -9.915 429 HD1 TYR 55 1HD TYR 55 -7.862 -3.759 -8.648 430 HD2 TYR 55 2HD TYR 55 -4.572 -6.132 -7.361 431 HE1 TYR 55 1HE TYR 55 -8.868 -3.960 -6.412 432 HE2 TYR 55 2HE TYR 55 -5.569 -6.332 -5.138 433 HH TYR 55 HH TYR 55 -8.774 -5.445 -4.485 434 H LEU 56 H LEU 56 -8.359 -6.478 -10.098 435 HA LEU 56 HA LEU 56 -7.904 -8.664 -8.381 436 HB2 LEU 56 2HB LEU 56 -10.404 -7.864 -9.916 437 HB3 LEU 56 1HB LEU 56 -10.370 -9.202 -8.785 438 HG LEU 56 HG LEU 56 -9.898 -6.281 -8.068 439 HD11 LEU 56 1HD1 LEU 56 -12.052 -6.428 -6.908 440 HD12 LEU 56 2HD1 LEU 56 -12.272 -8.079 -7.497 441 HD13 LEU 56 3HD1 LEU 56 -12.228 -6.730 -8.636 442 HD21 LEU 56 3HD2 LEU 56 -8.606 -7.754 -6.595 443 HD22 LEU 56 1HD2 LEU 56 -10.041 -8.734 -6.269 444 HD23 LEU 56 2HD2 LEU 56 -9.966 -7.057 -5.717 445 H LYS 57 H LYS 57 -8.099 -8.429 -11.854 446 HA LYS 57 HA LYS 57 -8.680 -11.135 -12.456 447 HB2 LYS 57 2HB LYS 57 -7.219 -9.114 -14.166 448 HB3 LYS 57 1HB LYS 57 -8.003 -10.577 -14.724 449 HG2 LYS 57 2HG LYS 57 -9.364 -8.113 -13.598 450 HG3 LYS 57 1HG LYS 57 -9.375 -8.662 -15.260 451 HD2 LYS 57 2HD LYS 57 -11.462 -9.422 -14.643 452 HD3 LYS 57 1HD LYS 57 -10.530 -10.841 -14.163 453 HE2 LYS 57 2HE LYS 57 -10.430 -9.810 -11.825 454 HE3 LYS 57 1HE LYS 57 -11.584 -8.608 -12.396 455 HZ1 LYS 57 3HZ LYS 57 -12.636 -10.447 -11.241 456 HZ2 LYS 57 1HZ LYS 57 -12.040 -11.538 -12.384 457 HZ3 LYS 57 2HZ LYS 57 -13.156 -10.346 -12.846 458 H ILE 58 H ILE 58 -5.750 -9.341 -11.845 459 HA ILE 58 HA ILE 58 -3.905 -11.476 -12.380 460 HB ILE 58 HB ILE 58 -3.576 -8.868 -10.809 461 HG12 ILE 58 2HG1 ILE 58 -2.046 -8.265 -12.815 462 HG13 ILE 58 1HG1 ILE 58 -2.756 -9.642 -13.645 463 HG21 ILE 58 1HG2 ILE 58 -1.993 -10.485 -9.883 464 HG22 ILE 58 2HG2 ILE 58 -1.123 -9.261 -10.809 465 HG23 ILE 58 3HG2 ILE 58 -1.390 -10.862 -11.498 466 HD11 ILE 58 3HD1 ILE 58 -3.820 -7.579 -14.325 467 HD12 ILE 58 1HD1 ILE 58 -4.214 -7.196 -12.647 468 HD13 ILE 58 2HD1 ILE 58 -4.973 -8.580 -13.435 469 H LEU 59 H LEU 59 -5.478 -10.022 -9.581 470 HA LEU 59 HA LEU 59 -4.095 -11.227 -7.489 471 HB2 LEU 59 2HB LEU 59 -5.877 -9.271 -7.574 472 HB3 LEU 59 1HB LEU 59 -7.005 -10.534 -7.215 473 HG LEU 59 HG LEU 59 -5.677 -11.086 -5.142 474 HD11 LEU 59 1HD1 LEU 59 -4.072 -9.422 -4.311 475 HD12 LEU 59 2HD1 LEU 59 -4.166 -8.555 -5.845 476 HD13 LEU 59 3HD1 LEU 59 -3.518 -10.200 -5.792 477 HD21 LEU 59 3HD2 LEU 59 -7.702 -9.739 -4.993 478 HD22 LEU 59 1HD2 LEU 59 -6.777 -8.268 -5.302 479 HD23 LEU 59 2HD2 LEU 59 -6.506 -9.190 -3.822 480 H GLU 60 H GLU 60 -7.028 -12.239 -9.136 481 HA GLU 60 HA GLU 60 -7.953 -14.121 -7.292 482 HB2 GLU 60 2HB GLU 60 -9.489 -14.856 -9.070 483 HB3 GLU 60 1HB GLU 60 -9.381 -13.112 -8.969 484 HG2 GLU 60 2HG GLU 60 -7.886 -13.040 -10.873 485 HG3 GLU 60 1HG GLU 60 -7.935 -14.790 -10.965 486 H LYS 61 H LYS 61 -5.609 -14.389 -9.784 487 HA LYS 61 HA LYS 61 -5.591 -17.340 -9.760 488 HB2 LYS 61 2HB LYS 61 -4.272 -17.217 -11.830 489 HB3 LYS 61 1HB LYS 61 -5.786 -16.328 -11.990 490 HG2 LYS 61 2HG LYS 61 -4.586 -14.224 -11.585 491 HG3 LYS 61 1HG LYS 61 -3.072 -15.110 -11.438 492 HD2 LYS 61 2HD LYS 61 -3.246 -14.078 -13.646 493 HD3 LYS 61 1HD LYS 61 -3.266 -15.836 -13.794 494 HE2 LYS 61 2HE LYS 61 -5.671 -15.822 -14.170 495 HE3 LYS 61 1HE LYS 61 -5.754 -14.090 -13.836 496 HZ1 LYS 61 3HZ LYS 61 -4.288 -15.328 -16.105 497 HZ2 LYS 61 1HZ LYS 61 -4.420 -13.671 -15.795 498 HZ3 LYS 61 2HZ LYS 61 -5.790 -14.568 -16.209 499 H GLN 62 H GLN 62 -4.138 -14.829 -8.225 500 HA GLN 62 HA GLN 62 -1.501 -15.948 -7.861 501 HB2 GLN 62 2HB GLN 62 -2.985 -13.903 -6.157 502 HB3 GLN 62 1HB GLN 62 -1.281 -14.213 -6.152 503 HG2 GLN 62 2HG GLN 62 -2.864 -12.978 -8.353 504 HG3 GLN 62 1HG GLN 62 -1.770 -12.136 -7.277 505 HE21 GLN 62 1HE2 GLN 62 -2.060 -14.229 -10.021 506 HE22 GLN 62 2HE2 GLN 62 -0.426 -14.142 -10.512 507 H GLY 63 H GLY 63 -4.652 -16.637 -6.669 508 HA2 GLY 63 2HA GLY 63 -5.279 -18.235 -5.075 509 HA3 GLY 63 1HA GLY 63 -3.652 -18.268 -4.441 510 H GLU 64 H GLU 64 -5.103 -18.167 -2.411 511 HA GLU 64 HA GLU 64 -5.988 -15.495 -1.638 512 HB2 GLU 64 2HB GLU 64 -7.208 -17.510 -0.907 513 HB3 GLU 64 1HB GLU 64 -5.802 -18.059 -0.017 514 HG2 GLU 64 2HG GLU 64 -7.509 -17.068 1.463 515 HG3 GLU 64 1HG GLU 64 -5.996 -16.167 1.523 516 H PHE 65 H PHE 65 -5.083 -14.273 -0.006 517 HA PHE 65 HA PHE 65 -2.301 -14.055 0.264 518 HB2 PHE 65 2HB PHE 65 -3.432 -12.069 0.809 519 HB3 PHE 65 1HB PHE 65 -4.667 -12.898 1.735 520 HD1 PHE 65 2HD PHE 65 -1.025 -11.980 1.885 521 HD2 PHE 65 1HD PHE 65 -4.579 -12.880 4.097 522 HE1 PHE 65 2HE PHE 65 0.141 -11.494 3.977 523 HE2 PHE 65 1HE PHE 65 -3.392 -12.373 6.189 524 HZ PHE 65 HZ PHE 65 -1.038 -11.679 6.134 525 H LYS 66 H LYS 66 -0.875 -15.199 1.420 526 HA LYS 66 HA LYS 66 -1.799 -17.011 3.590 527 HB2 LYS 66 2HB LYS 66 0.586 -17.421 1.732 528 HB3 LYS 66 1HB LYS 66 -0.003 -18.556 2.942 529 HG2 LYS 66 2HG LYS 66 -1.506 -17.686 0.461 530 HG3 LYS 66 1HG LYS 66 -0.620 -19.200 0.633 531 HD2 LYS 66 2HD LYS 66 -3.016 -18.368 2.314 532 HD3 LYS 66 1HD LYS 66 -3.078 -19.467 0.935 533 HE2 LYS 66 2HE LYS 66 -1.534 -21.022 2.148 534 HE3 LYS 66 1HE LYS 66 -1.588 -19.942 3.544 535 HZ1 LYS 66 3HZ LYS 66 -3.962 -20.321 3.701 536 HZ2 LYS 66 1HZ LYS 66 -3.130 -21.789 3.770 537 HZ3 LYS 66 2HZ LYS 66 -3.926 -21.331 2.349 538 H GLU 67 H GLU 67 0.599 -14.677 2.508 539 HA GLU 67 HA GLU 67 1.980 -14.564 5.061 540 HB2 GLU 67 2HB GLU 67 2.752 -16.711 4.008 541 HB3 GLU 67 1HB GLU 67 3.252 -15.818 2.584 542 HG2 GLU 67 2HG GLU 67 5.189 -16.337 3.840 543 HG3 GLU 67 1HG GLU 67 4.928 -14.612 3.967 544 H PHE 68 H PHE 68 3.835 -13.044 4.921 545 HA PHE 68 HA PHE 68 3.950 -11.309 2.524 546 HB2 PHE 68 2HB PHE 68 4.529 -10.634 5.454 547 HB3 PHE 68 1HB PHE 68 4.874 -9.560 4.106 548 HD1 PHE 68 2HD PHE 68 2.687 -9.354 2.438 549 HD2 PHE 68 1HD PHE 68 2.572 -10.023 6.666 550 HE1 PHE 68 2HE PHE 68 0.404 -8.456 2.528 551 HE2 PHE 68 1HE PHE 68 0.289 -9.125 6.725 552 HZ PHE 68 HZ PHE 68 -0.794 -8.341 4.663 553 H GLY 69 H GLY 69 6.016 -11.044 1.594 554 HA2 GLY 69 2HA GLY 69 8.078 -12.949 2.301 555 HA3 GLY 69 1HA GLY 69 8.093 -11.795 0.989 556 H LYS 70 H LYS 70 9.134 -9.949 1.216 557 HA LYS 70 HA LYS 70 10.158 -9.048 3.843 558 HB2 LYS 70 2HB LYS 70 11.607 -9.230 1.170 559 HB3 LYS 70 1HB LYS 70 12.191 -8.238 2.501 560 HG2 LYS 70 2HG LYS 70 12.381 -10.289 3.902 561 HG3 LYS 70 1HG LYS 70 11.877 -11.254 2.510 562 HD2 LYS 70 2HD LYS 70 13.869 -10.476 1.247 563 HD3 LYS 70 1HD LYS 70 14.359 -9.486 2.624 564 HE2 LYS 70 2HE LYS 70 14.638 -11.530 3.984 565 HE3 LYS 70 1HE LYS 70 14.142 -12.512 2.606 566 HZ1 LYS 70 3HZ LYS 70 16.055 -11.751 1.390 567 HZ2 LYS 70 1HZ LYS 70 16.547 -12.424 2.858 568 HZ3 LYS 70 2HZ LYS 70 16.529 -10.746 2.658 569 H CYS 71 H CYS 71 10.797 -6.711 3.720 570 HA CYS 71 HA CYS 71 8.946 -5.183 1.985 571 HB2 CYS 71 2HB CYS 71 9.505 -4.395 4.840 572 HB3 CYS 71 1HB CYS 71 8.179 -3.903 3.809 573 HG CYS 71 HG CYS 71 8.076 -6.060 6.122 574 H THR 72 H THR 72 10.212 -3.995 0.690 575 HA THR 72 HA THR 72 12.633 -2.650 1.551 576 HB THR 72 HB THR 72 10.854 -2.144 -0.873 577 HG1 THR 72 1HG THR 72 12.690 -4.054 -0.291 578 HG21 THR 72 3HG2 THR 72 13.702 -1.187 -0.379 579 HG22 THR 72 1HG2 THR 72 12.260 -0.157 -0.374 580 HG23 THR 72 2HG2 THR 72 12.777 -0.950 -1.861 581 H TYR 73 H TYR 73 12.686 -0.543 2.344 582 HA TYR 73 HA TYR 73 10.149 0.904 2.684 583 HB2 TYR 73 2HB TYR 73 12.557 1.017 4.542 584 HB3 TYR 73 1HB TYR 73 11.087 1.902 4.684 585 HD1 TYR 73 1HD TYR 73 8.958 0.834 5.259 586 HD2 TYR 73 2HD TYR 73 12.639 -1.337 5.194 587 HE1 TYR 73 1HE TYR 73 7.911 -0.998 6.547 588 HE2 TYR 73 2HE TYR 73 11.591 -3.164 6.445 589 HH TYR 73 HH TYR 73 9.596 -3.368 8.071 590 H LEU 74 H LEU 74 10.231 3.069 2.298 591 HA LEU 74 HA LEU 74 12.574 4.172 1.008 592 HB2 LEU 74 2HB LEU 74 11.326 4.609 -1.151 593 HB3 LEU 74 1HB LEU 74 11.917 3.015 -0.849 594 HG LEU 74 HG LEU 74 8.982 3.784 -0.615 595 HD11 LEU 74 1HD1 LEU 74 9.799 3.948 -2.921 596 HD12 LEU 74 2HD1 LEU 74 8.705 2.574 -2.738 597 HD13 LEU 74 3HD1 LEU 74 10.454 2.313 -2.814 598 HD21 LEU 74 3HD2 LEU 74 8.519 1.360 -0.635 599 HD22 LEU 74 1HD2 LEU 74 9.525 1.791 0.747 600 HD23 LEU 74 2HD2 LEU 74 10.255 1.019 -0.657 601 H GLY 75 H GLY 75 12.213 6.272 0.104 602 HA2 GLY 75 2HA GLY 75 10.609 7.848 2.071 603 HA3 GLY 75 1HA GLY 75 12.271 8.246 1.593 604 H GLN 76 H GLN 76 10.170 10.021 1.420 605 HA GLN 76 HA GLN 76 10.543 11.044 -1.158 606 HB2 GLN 76 2HB GLN 76 7.913 11.127 -1.589 607 HB3 GLN 76 1HB GLN 76 8.862 9.763 -2.149 608 HG2 GLN 76 2HG GLN 76 8.039 8.369 -0.420 609 HG3 GLN 76 1HG GLN 76 7.405 9.736 0.482 610 HE21 GLN 76 1HE2 GLN 76 5.834 7.615 0.044 611 HE22 GLN 76 2HE2 GLN 76 4.591 7.991 -1.100 612 H ILE 77 H ILE 77 10.775 13.128 -0.675 613 HA ILE 77 HA ILE 77 8.921 14.490 1.224 614 HB ILE 77 HB ILE 77 11.640 15.409 0.140 615 HG12 ILE 77 2HG1 ILE 77 12.156 15.476 2.698 616 HG13 ILE 77 1HG1 ILE 77 10.737 14.470 2.890 617 HG21 ILE 77 1HG2 ILE 77 10.147 17.339 0.306 618 HG22 ILE 77 2HG2 ILE 77 11.356 17.406 1.586 619 HG23 ILE 77 3HG2 ILE 77 9.710 16.895 1.962 620 HD11 ILE 77 3HD1 ILE 77 11.840 12.834 1.324 621 HD12 ILE 77 1HD1 ILE 77 12.605 13.057 2.903 622 HD13 ILE 77 2HD1 ILE 77 13.294 13.825 1.473 623 H LYS 78 H LYS 78 7.410 15.727 0.316 624 HA LYS 78 HA LYS 78 7.041 15.688 -2.540 625 HB2 LYS 78 2HB LYS 78 5.283 15.540 -0.564 626 HB3 LYS 78 1HB LYS 78 5.321 17.290 -0.610 627 HG2 LYS 78 2HG LYS 78 4.554 15.490 -2.930 628 HG3 LYS 78 1HG LYS 78 3.413 16.268 -1.840 629 HD2 LYS 78 2HD LYS 78 5.337 17.715 -3.702 630 HD3 LYS 78 1HD LYS 78 3.613 17.470 -3.992 631 HE2 LYS 78 2HE LYS 78 3.124 18.787 -1.919 632 HE3 LYS 78 1HE LYS 78 4.864 19.107 -1.743 633 HZ1 LYS 78 3HZ LYS 78 3.784 20.931 -2.852 634 HZ2 LYS 78 1HZ LYS 78 3.131 19.912 -4.034 635 HZ3 LYS 78 2HZ LYS 78 4.805 20.152 -3.949 636 H ASP 79 H ASP 79 6.950 18.387 -0.239 637 HA ASP 79 HA ASP 79 8.876 19.940 -1.883 638 HB2 ASP 79 2HB ASP 79 6.418 20.923 -0.373 639 HB3 ASP 79 1HB ASP 79 7.748 22.005 -0.746 640 H ASN 80 H ASN 80 7.329 19.817 1.341 641 HA ASN 80 HA ASN 80 9.987 19.926 2.641 642 HB2 ASN 80 2HB ASN 80 8.881 22.119 2.842 643 HB3 ASN 80 1HB ASN 80 7.423 21.357 3.459 644 HD21 ASN 80 1HD2 ASN 80 7.371 20.680 5.602 645 HD22 ASN 80 2HD2 ASN 80 8.578 21.129 6.736 646 H LYS 81 H LYS 81 6.806 18.621 2.456 647 HA LYS 81 HA LYS 81 6.696 17.463 5.099 648 HB2 LYS 81 2HB LYS 81 4.829 17.868 2.868 649 HB3 LYS 81 1HB LYS 81 4.701 16.222 3.458 650 HG2 LYS 81 2HG LYS 81 4.382 18.732 5.118 651 HG3 LYS 81 1HG LYS 81 3.090 17.692 4.526 652 HD2 LYS 81 2HD LYS 81 4.292 15.782 5.849 653 HD3 LYS 81 1HD LYS 81 5.182 17.080 6.646 654 HE2 LYS 81 2HE LYS 81 3.326 16.445 8.049 655 HE3 LYS 81 1HE LYS 81 2.968 18.040 7.381 656 HZ1 LYS 81 3HZ LYS 81 1.515 17.040 5.788 657 HZ2 LYS 81 1HZ LYS 81 1.074 16.495 7.321 658 HZ3 LYS 81 2HZ LYS 81 1.939 15.485 6.278 659 H LYS 82 H LYS 82 6.816 15.282 5.624 660 HA LYS 82 HA LYS 82 8.588 13.688 3.891 661 HB2 LYS 82 2HB LYS 82 7.899 13.172 6.809 662 HB3 LYS 82 1HB LYS 82 9.225 12.481 5.891 663 HG2 LYS 82 2HG LYS 82 8.978 15.419 6.502 664 HG3 LYS 82 1HG LYS 82 9.802 14.283 7.580 665 HD2 LYS 82 2HD LYS 82 11.383 13.744 5.736 666 HD3 LYS 82 1HD LYS 82 10.546 14.908 4.700 667 HE2 LYS 82 2HE LYS 82 11.950 15.558 7.304 668 HE3 LYS 82 1HE LYS 82 12.574 15.881 5.687 669 HZ1 LYS 82 3HZ LYS 82 10.768 17.401 5.299 670 HZ2 LYS 82 1HZ LYS 82 11.558 17.834 6.729 671 HZ3 LYS 82 2HZ LYS 82 10.071 17.036 6.794 672 H TYR 83 H TYR 83 8.019 11.719 3.212 673 HA TYR 83 HA TYR 83 5.421 10.497 3.901 674 HB2 TYR 83 2HB TYR 83 6.463 11.017 1.078 675 HB3 TYR 83 1HB TYR 83 5.072 10.023 1.432 676 HD1 TYR 83 2HD TYR 83 6.341 13.546 1.745 677 HD2 TYR 83 1HD TYR 83 2.935 11.006 1.453 678 HE1 TYR 83 2HE TYR 83 4.896 15.508 1.531 679 HE2 TYR 83 1HE TYR 83 1.493 12.948 1.216 680 HH TYR 83 HH TYR 83 1.584 15.422 1.845 681 H GLY 84 H GLY 84 5.568 8.256 3.999 682 HA2 GLY 84 2HA GLY 84 8.251 7.037 3.564 683 HA3 GLY 84 1HA GLY 84 7.193 6.651 4.920 684 H GLY 85 H GLY 85 8.312 4.868 2.868 685 HA2 GLY 85 2HA GLY 85 5.839 3.813 1.616 686 HA3 GLY 85 1HA GLY 85 7.375 3.913 0.759 687 H VAL 86 H VAL 86 6.142 1.563 0.906 688 HA VAL 86 HA VAL 86 7.963 -0.178 2.203 689 HB VAL 86 HB VAL 86 6.657 0.179 4.153 690 HG11 VAL 86 1HG1 VAL 86 4.132 -0.407 2.581 691 HG12 VAL 86 2HG1 VAL 86 4.633 1.166 3.206 692 HG13 VAL 86 3HG1 VAL 86 4.213 -0.132 4.325 693 HG21 VAL 86 3HG2 VAL 86 5.765 -2.065 4.672 694 HG22 VAL 86 1HG2 VAL 86 7.313 -2.145 3.827 695 HG23 VAL 86 2HG2 VAL 86 5.813 -2.471 2.955 696 H ILE 87 H ILE 87 8.349 -1.159 0.322 697 HA ILE 87 HA ILE 87 6.257 -2.320 -1.343 698 HB ILE 87 HB ILE 87 9.285 -2.683 -1.522 699 HG12 ILE 87 2HG1 ILE 87 7.515 -1.044 -3.378 700 HG13 ILE 87 1HG1 ILE 87 8.319 -0.330 -2.005 701 HG21 ILE 87 1HG2 ILE 87 8.853 -3.653 -3.762 702 HG22 ILE 87 2HG2 ILE 87 7.116 -3.501 -3.496 703 HG23 ILE 87 3HG2 ILE 87 8.066 -4.605 -2.496 704 HD11 ILE 87 3HD1 ILE 87 10.496 -0.978 -2.979 705 HD12 ILE 87 1HD1 ILE 87 9.560 0.093 -4.020 706 HD13 ILE 87 2HD1 ILE 87 9.648 -1.631 -4.384 707 H ILE 88 H ILE 88 5.228 -3.617 0.152 708 HA ILE 88 HA ILE 88 6.768 -5.748 1.473 709 HB ILE 88 HB ILE 88 5.578 -4.438 3.092 710 HG12 ILE 88 2HG1 ILE 88 4.072 -7.054 2.666 711 HG13 ILE 88 1HG1 ILE 88 5.638 -6.893 3.450 712 HG21 ILE 88 1HG2 ILE 88 3.138 -4.078 3.124 713 HG22 ILE 88 2HG2 ILE 88 2.998 -4.885 1.562 714 HG23 ILE 88 3HG2 ILE 88 3.879 -3.362 1.687 715 HD11 ILE 88 3HD1 ILE 88 3.915 -7.159 5.093 716 HD12 ILE 88 1HD1 ILE 88 3.022 -5.781 4.448 717 HD13 ILE 88 2HD1 ILE 88 4.595 -5.539 5.214 718 H VAL 89 H VAL 89 6.889 -7.321 0.068 719 HA VAL 89 HA VAL 89 4.862 -8.083 -1.761 720 HB VAL 89 HB VAL 89 7.150 -8.603 -2.262 721 HG11 VAL 89 1HG1 VAL 89 8.483 -10.240 -1.142 722 HG12 VAL 89 2HG1 VAL 89 7.229 -10.379 0.093 723 HG13 VAL 89 3HG1 VAL 89 8.077 -8.847 -0.141 724 HG21 VAL 89 3HG2 VAL 89 5.689 -11.222 -1.906 725 HG22 VAL 89 1HG2 VAL 89 7.003 -10.903 -3.045 726 HG23 VAL 89 2HG2 VAL 89 5.444 -10.100 -3.248 727 H VAL 90 H VAL 90 3.332 -9.451 -1.622 728 HA VAL 90 HA VAL 90 2.727 -10.937 0.810 729 HB VAL 90 HB VAL 90 1.104 -10.433 -1.734 730 HG11 VAL 90 1HG1 VAL 90 -0.776 -11.393 -0.507 731 HG12 VAL 90 2HG1 VAL 90 0.275 -11.725 0.874 732 HG13 VAL 90 3HG1 VAL 90 0.530 -12.572 -0.658 733 HG21 VAL 90 3HG2 VAL 90 0.650 -9.359 1.038 734 HG22 VAL 90 1HG2 VAL 90 -0.246 -8.949 -0.434 735 HG23 VAL 90 2HG2 VAL 90 1.443 -8.437 -0.256 736 H LYS 91 H LYS 91 2.873 -13.107 0.781 737 HA LYS 91 HA LYS 91 3.371 -14.530 -1.755 738 HB2 LYS 91 2HB LYS 91 3.585 -15.647 1.074 739 HB3 LYS 91 1HB LYS 91 4.034 -16.460 -0.419 740 HG2 LYS 91 2HG LYS 91 5.807 -14.700 -0.764 741 HG3 LYS 91 1HG LYS 91 5.422 -14.071 0.844 742 HD2 LYS 91 2HD LYS 91 6.092 -16.196 1.876 743 HD3 LYS 91 1HD LYS 91 6.334 -16.929 0.288 744 HE2 LYS 91 2HE LYS 91 8.154 -15.304 -0.151 745 HE3 LYS 91 1HE LYS 91 7.931 -14.640 1.466 746 HZ1 LYS 91 3HZ LYS 91 8.570 -17.482 0.985 747 HZ2 LYS 91 1HZ LYS 91 8.660 -16.620 2.432 748 HZ3 LYS 91 2HZ LYS 91 9.757 -16.298 1.190 749 H TYR 92 H TYR 92 1.211 -14.190 -2.464 750 HA TYR 92 HA TYR 92 -1.040 -15.439 -1.200 751 HB2 TYR 92 2HB TYR 92 -0.542 -14.834 -4.159 752 HB3 TYR 92 1HB TYR 92 -2.051 -15.474 -3.529 753 HD1 TYR 92 2HD TYR 92 -3.564 -14.066 -2.238 754 HD2 TYR 92 1HD TYR 92 0.055 -12.455 -3.794 755 HE1 TYR 92 2HE TYR 92 -4.381 -11.813 -1.771 756 HE2 TYR 92 1HE TYR 92 -0.775 -10.177 -3.354 757 HH TYR 92 HH TYR 92 -3.440 -9.553 -1.387 758 H GLU 93 H GLU 93 -2.083 -17.427 -2.271 759 HA GLU 93 HA GLU 93 -0.736 -19.645 -1.464 760 HB2 GLU 93 2HB GLU 93 -3.201 -19.380 -1.878 761 HB3 GLU 93 1HB GLU 93 -2.895 -19.565 -3.601 762 HG2 GLU 93 2HG GLU 93 -1.976 -21.829 -3.156 763 HG3 GLU 93 1HG GLU 93 -2.392 -21.628 -1.456 764 H GLU 94 H GLU 94 -0.648 -18.225 -4.635 765 HA GLU 94 HA GLU 94 1.257 -20.236 -5.662 766 HB2 GLU 94 2HB GLU 94 -0.816 -18.809 -7.385 767 HB3 GLU 94 1HB GLU 94 0.174 -20.203 -7.806 768 HG2 GLU 94 2HG GLU 94 -1.122 -21.588 -6.198 769 HG3 GLU 94 1HG GLU 94 -2.098 -20.188 -5.792 770 H GLY 95 H GLY 95 0.318 -16.804 -5.408 771 HA2 GLY 95 2HA GLY 95 2.478 -16.024 -7.326 772 HA3 GLY 95 1HA GLY 95 0.916 -15.242 -7.260 773 H ASN 96 H ASN 96 3.996 -14.723 -6.508 774 HA ASN 96 HA ASN 96 3.639 -13.306 -3.960 775 HB2 ASN 96 2HB ASN 96 6.031 -13.267 -5.823 776 HB3 ASN 96 1HB ASN 96 5.997 -12.644 -4.188 777 HD21 ASN 96 1HD2 ASN 96 6.034 -14.063 -2.463 778 HD22 ASN 96 2HD2 ASN 96 6.481 -15.709 -2.670 779 H VAL 97 H VAL 97 2.944 -11.265 -3.905 780 HA VAL 97 HA VAL 97 3.239 -9.556 -6.297 781 HB VAL 97 HB VAL 97 0.818 -9.516 -4.422 782 HG11 VAL 97 1HG1 VAL 97 1.263 -7.348 -5.444 783 HG12 VAL 97 2HG1 VAL 97 -0.196 -8.050 -6.144 784 HG13 VAL 97 3HG1 VAL 97 1.318 -8.084 -7.049 785 HG21 VAL 97 3HG2 VAL 97 0.830 -11.615 -5.740 786 HG22 VAL 97 1HG2 VAL 97 0.943 -10.677 -7.232 787 HG23 VAL 97 2HG2 VAL 97 -0.499 -10.556 -6.217 788 H ASN 98 H ASN 98 4.495 -7.927 -5.861 789 HA ASN 98 HA ASN 98 5.305 -7.275 -3.160 790 HB2 ASN 98 2HB ASN 98 6.276 -5.917 -5.701 791 HB3 ASN 98 1HB ASN 98 7.133 -6.083 -4.180 792 HD21 ASN 98 1HD2 ASN 98 8.066 -8.118 -3.707 793 HD22 ASN 98 2HD2 ASN 98 8.361 -9.266 -4.952 794 H TYR 99 H TYR 99 3.450 -6.272 -2.263 795 HA TYR 99 HA TYR 99 2.084 -4.096 -3.516 796 HB2 TYR 99 2HB TYR 99 1.929 -5.467 -0.845 797 HB3 TYR 99 1HB TYR 99 1.206 -3.867 -0.980 798 HD1 TYR 99 1HD TYR 99 1.010 -7.374 -2.179 799 HD2 TYR 99 2HD TYR 99 -0.802 -3.515 -2.280 800 HE1 TYR 99 1HE TYR 99 -1.023 -8.356 -3.149 801 HE2 TYR 99 2HE TYR 99 -2.831 -4.495 -3.252 802 HH TYR 99 HH TYR 99 -3.479 -6.461 -4.539 803 H SER 100 H SER 100 3.453 -2.440 -4.036 804 HA SER 100 HA SER 100 5.179 -1.114 -2.157 805 HB2 SER 100 2HB SER 100 5.666 -1.225 -4.605 806 HB3 SER 100 1HB SER 100 4.265 -0.242 -4.927 807 HG SER 100 HG SER 100 5.301 1.360 -3.521 808 H LEU 101 H LEU 101 3.679 -0.593 -0.503 809 HA LEU 101 HA LEU 101 1.601 1.422 -0.983 810 HB2 LEU 101 2HB LEU 101 2.344 -0.380 1.306 811 HB3 LEU 101 1HB LEU 101 1.525 1.116 1.704 812 HG LEU 101 HG LEU 101 -0.070 -0.777 1.408 813 HD11 LEU 101 1HD1 LEU 101 -1.681 0.394 0.115 814 HD12 LEU 101 2HD1 LEU 101 -0.415 1.418 -0.565 815 HD13 LEU 101 3HD1 LEU 101 -0.779 1.480 1.159 816 HD21 LEU 101 3HD2 LEU 101 1.120 -2.034 -0.347 817 HD22 LEU 101 1HD2 LEU 101 0.706 -0.766 -1.502 818 HD23 LEU 101 2HD2 LEU 101 -0.568 -1.739 -0.755 819 H ALA 102 H ALA 102 1.635 3.541 -0.098 820 HA ALA 102 HA ALA 102 3.836 4.432 1.575 821 HB1 ALA 102 1HB ALA 102 3.600 5.608 -1.215 822 HB2 ALA 102 2HB ALA 102 4.886 4.544 -0.658 823 HB3 ALA 102 3HB ALA 102 4.701 6.142 0.058 824 H TYR 103 H TYR 103 3.524 6.631 2.340 825 HA TYR 103 HA TYR 103 1.089 8.080 1.926 826 HB2 TYR 103 2HB TYR 103 0.252 7.674 4.317 827 HB3 TYR 103 1HB TYR 103 0.019 6.373 3.158 828 HD1 TYR 103 2HD TYR 103 2.459 7.474 5.818 829 HD2 TYR 103 1HD TYR 103 0.612 4.225 3.768 830 HE1 TYR 103 2HE TYR 103 3.451 5.890 7.403 831 HE2 TYR 103 1HE TYR 103 1.608 2.652 5.321 832 HH TYR 103 HH TYR 103 3.192 2.471 6.932 833 H ASP 104 H ASP 104 0.799 9.704 3.846 834 HA ASP 104 HA ASP 104 3.334 11.152 4.087 835 HB2 ASP 104 2HB ASP 104 1.485 12.364 3.308 836 HB3 ASP 104 1HB ASP 104 0.405 11.795 4.476 837 H GLU 105 H GLU 105 3.629 12.415 6.242 838 HA GLU 105 HA GLU 105 3.965 10.753 8.492 839 HB2 GLU 105 2HB GLU 105 3.794 13.772 8.222 840 HB3 GLU 105 1HB GLU 105 4.103 12.995 9.770 841 HG2 GLU 105 2HG GLU 105 6.161 12.001 8.917 842 HG3 GLU 105 1HG GLU 105 5.861 12.661 7.312 843 H ASP 106 H ASP 106 1.128 12.539 7.409 844 HA ASP 106 HA ASP 106 -0.403 12.061 9.850 845 HB2 ASP 106 2HB ASP 106 -0.694 14.057 8.171 846 HB3 ASP 106 1HB ASP 106 -1.589 12.917 7.174 847 H MET 107 H MET 107 0.421 10.358 6.991 848 HA MET 107 HA MET 107 0.471 8.137 6.692 849 HB2 MET 107 2HB MET 107 -1.035 7.901 9.323 850 HB3 MET 107 1HB MET 107 -0.321 6.551 8.445 851 HG2 MET 107 2HG MET 107 1.923 7.670 8.689 852 HG3 MET 107 1HG MET 107 1.158 8.870 9.726 853 HE1 MET 107 3HE MET 107 1.617 4.398 10.762 854 HE2 MET 107 1HE MET 107 2.407 5.173 9.389 855 HE3 MET 107 2HE MET 107 0.656 4.971 9.392 856 H ASN 108 H ASN 108 -1.528 9.814 5.629 857 HA ASN 108 HA ASN 108 -3.786 8.023 5.090 858 HB2 ASN 108 2HB ASN 108 -3.275 10.668 3.687 859 HB3 ASN 108 1HB ASN 108 -4.799 9.850 3.955 860 HD21 ASN 108 1HD2 ASN 108 -2.447 11.983 5.230 861 HD22 ASN 108 2HD2 ASN 108 -3.311 12.437 6.632 862 H LEU 109 H LEU 109 -3.643 6.575 3.378 863 HA LEU 109 HA LEU 109 -1.332 6.173 1.927 864 HB2 LEU 109 2HB LEU 109 -4.170 5.329 1.298 865 HB3 LEU 109 1HB LEU 109 -2.841 4.889 0.234 866 HG LEU 109 HG LEU 109 -3.253 3.010 1.623 867 HD11 LEU 109 1HD1 LEU 109 -0.814 4.434 2.696 868 HD12 LEU 109 2HD1 LEU 109 -0.920 3.423 1.246 869 HD13 LEU 109 3HD1 LEU 109 -1.152 2.702 2.837 870 HD21 LEU 109 3HD2 LEU 109 -4.562 3.986 3.379 871 HD22 LEU 109 1HD2 LEU 109 -3.148 4.812 4.045 872 HD23 LEU 109 2HD2 LEU 109 -3.247 3.047 4.085 873 H VAL 110 H VAL 110 -0.361 7.348 0.683 874 HA VAL 110 HA VAL 110 -1.616 9.325 -1.085 875 HB VAL 110 HB VAL 110 0.379 9.589 0.840 876 HG11 VAL 110 1HG1 VAL 110 2.549 10.001 -0.234 877 HG12 VAL 110 2HG1 VAL 110 1.918 9.360 -1.756 878 HG13 VAL 110 3HG1 VAL 110 2.053 8.302 -0.349 879 HG21 VAL 110 3HG2 VAL 110 0.813 11.794 -0.010 880 HG22 VAL 110 1HG2 VAL 110 -0.903 11.414 -0.143 881 HG23 VAL 110 2HG2 VAL 110 0.123 11.375 -1.583 882 H SER 111 H SER 111 -0.212 6.269 -0.977 883 HA SER 111 HA SER 111 -0.170 5.959 -3.832 884 HB2 SER 111 2HB SER 111 2.197 6.715 -3.170 885 HB3 SER 111 1HB SER 111 2.340 5.229 -2.259 886 HG SER 111 HG SER 111 1.909 5.492 -5.051 887 H PHE 112 H PHE 112 -0.670 3.888 -4.325 888 HA PHE 112 HA PHE 112 -0.151 1.669 -2.532 889 HB2 PHE 112 2HB PHE 112 -2.368 2.029 -1.741 890 HB3 PHE 112 1HB PHE 112 -2.970 2.543 -3.300 891 HD1 PHE 112 1HD PHE 112 -3.564 0.786 -5.039 892 HD2 PHE 112 2HD PHE 112 -2.270 -0.361 -1.101 893 HE1 PHE 112 1HE PHE 112 -4.426 -1.496 -5.405 894 HE2 PHE 112 2HE PHE 112 -3.141 -2.617 -1.498 895 HZ PHE 112 HZ PHE 112 -4.212 -3.194 -3.642 896 H THR 113 H THR 113 0.775 0.190 -3.820 897 HA THR 113 HA THR 113 -0.167 -0.266 -6.555 898 HB THR 113 HB THR 113 2.522 -0.432 -7.114 899 HG1 THR 113 1HG THR 113 2.258 1.402 -5.010 900 HG21 THR 113 3HG2 THR 113 0.990 2.162 -7.292 901 HG22 THR 113 1HG2 THR 113 0.908 0.841 -8.470 902 HG23 THR 113 2HG2 THR 113 2.420 1.719 -8.225 903 H MET 114 H MET 114 0.896 -2.235 -7.489 904 HA MET 114 HA MET 114 1.968 -4.152 -5.615 905 HB2 MET 114 2HB MET 114 0.139 -5.833 -6.335 906 HB3 MET 114 1HB MET 114 -0.236 -4.675 -5.084 907 HG2 MET 114 2HG MET 114 -1.579 -3.393 -6.555 908 HG3 MET 114 1HG MET 114 -1.025 -4.281 -7.970 909 HE1 MET 114 3HE MET 114 -1.111 -7.233 -7.467 910 HE2 MET 114 1HE MET 114 -1.993 -6.497 -8.804 911 HE3 MET 114 2HE MET 114 -2.798 -7.660 -7.754 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 16.684 17.545 -1.219 2 H2 GLY 1 2HT GLY 1 17.807 16.333 -0.888 3 H3 GLY 1 3HT GLY 1 17.202 17.282 0.367 4 HA2 GLY 1 1HA GLY 1 16.127 15.168 0.458 5 HA3 GLY 1 2HA GLY 1 14.970 16.395 -0.050 6 H GLU 2 H GLU 2 17.362 14.153 -1.446 7 HA GLU 2 HA GLU 2 15.935 13.648 -3.879 8 HB2 GLU 2 2HB GLU 2 17.505 11.826 -4.264 9 HB3 GLU 2 1HB GLU 2 18.400 13.205 -3.658 10 HG2 GLU 2 2HG GLU 2 17.591 10.815 -1.961 11 HG3 GLU 2 1HG GLU 2 19.146 10.980 -2.763 12 H ILE 3 H ILE 3 14.936 11.517 -4.435 13 HA ILE 3 HA ILE 3 13.129 10.523 -2.460 14 HB ILE 3 HB ILE 3 13.938 9.296 -5.158 15 HG12 ILE 3 2HG1 ILE 3 12.905 11.524 -5.416 16 HG13 ILE 3 1HG1 ILE 3 11.806 10.281 -6.003 17 HG21 ILE 3 1HG2 ILE 3 11.848 7.958 -5.004 18 HG22 ILE 3 2HG2 ILE 3 11.578 8.576 -3.373 19 HG23 ILE 3 3HG2 ILE 3 12.981 7.561 -3.707 20 HD11 ILE 3 3HD1 ILE 3 11.624 11.754 -3.377 21 HD12 ILE 3 1HD1 ILE 3 10.542 10.452 -3.880 22 HD13 ILE 3 2HD1 ILE 3 10.590 11.960 -4.789 23 H LEU 4 H LEU 4 13.469 9.046 -0.960 24 HA LEU 4 HA LEU 4 16.127 8.007 -0.537 25 HB2 LEU 4 2HB LEU 4 13.655 7.765 1.221 26 HB3 LEU 4 1HB LEU 4 15.312 7.471 1.702 27 HG LEU 4 HG LEU 4 14.673 9.531 2.634 28 HD11 LEU 4 1HD1 LEU 4 16.276 11.135 1.763 29 HD12 LEU 4 2HD1 LEU 4 16.373 10.233 0.247 30 HD13 LEU 4 3HD1 LEU 4 16.949 9.504 1.750 31 HD21 LEU 4 3HD2 LEU 4 13.721 10.561 -0.020 32 HD22 LEU 4 1HD2 LEU 4 13.802 11.487 1.484 33 HD23 LEU 4 2HD2 LEU 4 12.720 10.105 1.358 34 H LYS 5 H LYS 5 16.684 5.854 -0.351 35 HA LYS 5 HA LYS 5 14.888 3.791 -1.376 36 HB2 LYS 5 2HB LYS 5 16.892 2.418 -1.421 37 HB3 LYS 5 1HB LYS 5 17.212 3.986 -2.160 38 HG2 LYS 5 2HG LYS 5 18.146 4.720 0.113 39 HG3 LYS 5 1HG LYS 5 18.055 3.016 0.563 40 HD2 LYS 5 2HD LYS 5 19.522 2.494 -1.429 41 HD3 LYS 5 1HD LYS 5 19.673 4.236 -1.686 42 HE2 LYS 5 2HE LYS 5 20.761 4.488 0.499 43 HE3 LYS 5 1HE LYS 5 20.547 2.764 0.823 44 HZ1 LYS 5 3HZ LYS 5 22.206 3.943 -1.342 45 HZ2 LYS 5 1HZ LYS 5 21.977 2.288 -1.081 46 HZ3 LYS 5 2HZ LYS 5 22.774 3.221 0.076 47 H GLU 6 H GLU 6 14.636 5.121 1.328 48 HA GLU 6 HA GLU 6 14.042 2.850 3.021 49 HB2 GLU 6 2HB GLU 6 15.552 3.497 4.844 50 HB3 GLU 6 1HB GLU 6 16.515 3.209 3.394 51 HG2 GLU 6 2HG GLU 6 16.617 5.655 2.974 52 HG3 GLU 6 1HG GLU 6 15.656 5.949 4.431 53 H LEU 7 H LEU 7 13.222 3.819 5.223 54 HA LEU 7 HA LEU 7 11.517 6.074 4.829 55 HB2 LEU 7 2HB LEU 7 12.317 4.596 7.358 56 HB3 LEU 7 1HB LEU 7 11.109 5.878 7.315 57 HG LEU 7 HG LEU 7 10.932 3.167 5.955 58 HD11 LEU 7 1HD1 LEU 7 9.083 2.755 7.451 59 HD12 LEU 7 2HD1 LEU 7 9.333 4.320 8.234 60 HD13 LEU 7 3HD1 LEU 7 10.574 3.065 8.332 61 HD21 LEU 7 3HD2 LEU 7 8.659 3.797 5.266 62 HD22 LEU 7 1HD2 LEU 7 9.872 4.838 4.528 63 HD23 LEU 7 2HD2 LEU 7 8.913 5.433 5.883 64 HA PRO 8 HA PRO 8 14.751 9.165 5.890 65 HB2 PRO 8 2HB PRO 8 13.020 11.340 5.571 66 HB3 PRO 8 1HB PRO 8 13.935 10.596 4.248 67 HG2 PRO 8 2HG PRO 8 11.075 10.192 5.014 68 HG3 PRO 8 1HG PRO 8 11.800 10.303 3.396 69 HD2 PRO 8 2HD PRO 8 11.116 7.920 4.494 70 HD3 PRO 8 1HD PRO 8 12.506 8.083 3.415 71 H GLU 9 H GLU 9 14.146 11.368 7.277 72 HA GLU 9 HA GLU 9 14.062 10.329 9.915 73 HB2 GLU 9 2HB GLU 9 14.146 13.186 8.880 74 HB3 GLU 9 1HB GLU 9 14.417 12.721 10.561 75 HG2 GLU 9 2HG GLU 9 16.362 11.426 9.947 76 HG3 GLU 9 1HG GLU 9 16.066 11.710 8.237 77 H GLY 10 H GLY 10 12.393 10.019 11.206 78 HA2 GLY 10 2HA GLY 10 10.576 10.814 12.491 79 HA3 GLY 10 1HA GLY 10 10.133 11.886 11.179 80 H PHE 11 H PHE 11 10.773 8.703 10.084 81 HA PHE 11 HA PHE 11 7.883 7.961 10.233 82 HB2 PHE 11 2HB PHE 11 9.792 7.135 8.002 83 HB3 PHE 11 1HB PHE 11 8.081 6.836 8.079 84 HD1 PHE 11 1HD PHE 11 10.563 9.442 7.865 85 HD2 PHE 11 2HD PHE 11 6.517 8.463 7.160 86 HE1 PHE 11 1HE PHE 11 10.285 11.569 6.633 87 HE2 PHE 11 2HE PHE 11 6.210 10.556 5.931 88 HZ PHE 11 HZ PHE 11 8.094 12.105 5.681 89 H ASP 12 H ASP 12 7.479 6.186 11.296 90 HA ASP 12 HA ASP 12 9.609 4.500 12.370 91 HB2 ASP 12 2HB ASP 12 6.612 4.501 12.938 92 HB3 ASP 12 1HB ASP 12 7.821 3.583 13.824 93 H LYS 13 H LYS 13 10.055 2.474 11.682 94 HA LYS 13 HA LYS 13 9.183 1.534 9.207 95 HB2 LYS 13 2HB LYS 13 10.722 0.125 11.421 96 HB3 LYS 13 1HB LYS 13 10.581 -0.441 9.769 97 HG2 LYS 13 2HG LYS 13 11.738 1.583 8.949 98 HG3 LYS 13 1HG LYS 13 11.884 2.159 10.612 99 HD2 LYS 13 2HD LYS 13 13.993 1.128 9.828 100 HD3 LYS 13 1HD LYS 13 13.303 0.230 11.180 101 HE2 LYS 13 2HE LYS 13 12.458 -1.481 9.677 102 HE3 LYS 13 1HE LYS 13 12.961 -0.539 8.266 103 HZ1 LYS 13 3HZ LYS 13 14.474 -2.381 8.860 104 HZ2 LYS 13 1HZ LYS 13 14.843 -1.596 10.308 105 HZ3 LYS 13 2HZ LYS 13 15.229 -0.874 8.830 106 H GLU 14 H GLU 14 8.507 0.293 12.471 107 HA GLU 14 HA GLU 14 6.980 -1.950 11.649 108 HB2 GLU 14 2HB GLU 14 7.043 -0.516 14.333 109 HB3 GLU 14 1HB GLU 14 6.382 -2.126 14.051 110 HG2 GLU 14 2HG GLU 14 8.634 -2.929 13.388 111 HG3 GLU 14 1HG GLU 14 9.291 -1.320 13.698 112 H THR 15 H THR 15 6.128 1.364 12.486 113 HA THR 15 HA THR 15 3.305 1.072 12.608 114 HB THR 15 HB THR 15 4.909 3.584 11.927 115 HG1 THR 15 1HG THR 15 4.300 2.356 14.414 116 HG21 THR 15 3HG2 THR 15 2.456 3.836 11.593 117 HG22 THR 15 1HG2 THR 15 3.030 4.805 12.956 118 HG23 THR 15 2HG2 THR 15 2.186 3.284 13.247 119 H VAL 16 H VAL 16 5.548 2.054 10.039 120 HA VAL 16 HA VAL 16 3.665 2.578 7.979 121 HB VAL 16 HB VAL 16 6.672 2.069 7.982 122 HG11 VAL 16 1HG1 VAL 16 5.017 2.836 5.560 123 HG12 VAL 16 2HG1 VAL 16 5.840 1.298 5.800 124 HG13 VAL 16 3HG1 VAL 16 6.780 2.782 5.629 125 HG21 VAL 16 3HG2 VAL 16 5.895 4.207 8.967 126 HG22 VAL 16 1HG2 VAL 16 5.056 4.601 7.465 127 HG23 VAL 16 2HG2 VAL 16 6.818 4.490 7.489 128 H ARG 17 H ARG 17 5.500 -0.308 8.882 129 HA ARG 17 HA ARG 17 4.761 -1.976 6.727 130 HB2 ARG 17 2HB ARG 17 6.621 -2.448 8.349 131 HB3 ARG 17 1HB ARG 17 5.410 -2.802 9.574 132 HG2 ARG 17 2HG ARG 17 4.582 -4.508 7.616 133 HG3 ARG 17 1HG ARG 17 6.301 -4.432 7.230 134 HD2 ARG 17 2HD ARG 17 5.087 -5.180 9.888 135 HD3 ARG 17 1HD ARG 17 5.803 -6.289 8.725 136 HE ARG 17 HE ARG 17 7.611 -4.225 9.637 137 HH11 ARG 17 1HH1 ARG 17 6.369 -7.440 10.365 138 HH12 ARG 17 2HH1 ARG 17 7.742 -7.874 11.332 139 HH21 ARG 17 1HH2 ARG 17 9.388 -4.805 10.942 140 HH22 ARG 17 2HH2 ARG 17 9.450 -6.385 11.660 141 H LYS 18 H LYS 18 3.404 -1.594 9.996 142 HA LYS 18 HA LYS 18 1.343 -3.464 9.906 143 HB2 LYS 18 2HB LYS 18 2.353 -2.207 11.900 144 HB3 LYS 18 1HB LYS 18 1.325 -0.850 11.483 145 HG2 LYS 18 2HG LYS 18 0.147 -3.574 12.023 146 HG3 LYS 18 1HG LYS 18 0.594 -2.515 13.355 147 HD2 LYS 18 2HD LYS 18 -0.963 -0.784 12.502 148 HD3 LYS 18 1HD LYS 18 -1.401 -1.841 11.155 149 HE2 LYS 18 2HE LYS 18 -2.315 -3.489 12.740 150 HE3 LYS 18 1HE LYS 18 -1.850 -2.456 14.094 151 HZ1 LYS 18 3HZ LYS 18 -4.187 -2.213 13.534 152 HZ2 LYS 18 1HZ LYS 18 -3.786 -1.730 11.967 153 HZ3 LYS 18 2HZ LYS 18 -3.359 -0.764 13.282 154 H GLN 19 H GLN 19 1.397 -0.044 8.967 155 HA GLN 19 HA GLN 19 -1.404 0.070 8.223 156 HB2 GLN 19 2HB GLN 19 0.828 2.013 8.483 157 HB3 GLN 19 1HB GLN 19 -0.219 2.356 7.120 158 HG2 GLN 19 2HG GLN 19 -1.031 2.165 10.005 159 HG3 GLN 19 1HG GLN 19 -0.924 3.620 9.039 160 HE21 GLN 19 1HE2 GLN 19 -2.292 1.927 6.742 161 HE22 GLN 19 2HE2 GLN 19 -3.943 2.078 7.183 162 H ALA 20 H ALA 20 0.743 -1.681 6.741 163 HA ALA 20 HA ALA 20 -0.101 -0.933 3.990 164 HB1 ALA 20 1HB ALA 20 2.337 -0.890 4.341 165 HB2 ALA 20 2HB ALA 20 1.866 -2.170 3.219 166 HB3 ALA 20 3HB ALA 20 2.309 -2.574 4.884 167 H MET 21 H MET 21 0.466 -3.526 6.328 168 HA MET 21 HA MET 21 -0.201 -5.739 4.770 169 HB2 MET 21 2HB MET 21 -0.612 -5.525 7.785 170 HB3 MET 21 1HB MET 21 -0.386 -6.996 6.851 171 HG2 MET 21 2HG MET 21 1.903 -5.972 6.213 172 HG3 MET 21 1HG MET 21 1.637 -4.918 7.595 173 HE1 MET 21 3HE MET 21 1.209 -7.806 10.386 174 HE2 MET 21 1HE MET 21 -0.096 -7.334 9.301 175 HE3 MET 21 2HE MET 21 0.912 -6.098 10.059 176 H GLU 22 H GLU 22 -2.186 -3.683 6.798 177 HA GLU 22 HA GLU 22 -4.657 -5.075 6.697 178 HB2 GLU 22 2HB GLU 22 -4.179 -2.061 7.026 179 HB3 GLU 22 1HB GLU 22 -5.619 -2.963 7.529 180 HG2 GLU 22 2HG GLU 22 -4.221 -4.221 9.171 181 HG3 GLU 22 1HG GLU 22 -2.833 -3.243 8.679 182 H ASP 23 H ASP 23 -3.282 -2.427 4.881 183 HA ASP 23 HA ASP 23 -5.556 -1.656 3.408 184 HB2 ASP 23 2HB ASP 23 -2.601 -1.086 2.880 185 HB3 ASP 23 1HB ASP 23 -3.953 -0.176 2.209 186 H ILE 24 H ILE 24 -3.000 -3.945 2.787 187 HA ILE 24 HA ILE 24 -3.497 -4.540 0.052 188 HB ILE 24 HB ILE 24 -2.419 -6.364 2.264 189 HG12 ILE 24 2HG1 ILE 24 -0.814 -4.752 0.235 190 HG13 ILE 24 1HG1 ILE 24 -1.127 -4.209 1.876 191 HG21 ILE 24 1HG2 ILE 24 -2.119 -6.666 -0.748 192 HG22 ILE 24 2HG2 ILE 24 -3.152 -7.659 0.281 193 HG23 ILE 24 3HG2 ILE 24 -1.399 -7.712 0.479 194 HD11 ILE 24 3HD1 ILE 24 1.074 -5.160 1.697 195 HD12 ILE 24 1HD1 ILE 24 0.410 -6.676 1.088 196 HD13 ILE 24 2HD1 ILE 24 0.069 -6.160 2.744 197 H GLU 25 H GLU 25 -4.680 -5.966 3.116 198 HA GLU 25 HA GLU 25 -6.165 -8.058 1.935 199 HB2 GLU 25 2HB GLU 25 -6.384 -6.956 4.745 200 HB3 GLU 25 1HB GLU 25 -7.049 -8.494 4.195 201 HG2 GLU 25 2HG GLU 25 -4.785 -9.314 3.705 202 HG3 GLU 25 1HG GLU 25 -4.106 -7.782 4.256 203 H ILE 26 H ILE 26 -7.075 -4.896 3.010 204 HA ILE 26 HA ILE 26 -9.920 -5.216 2.782 205 HB ILE 26 HB ILE 26 -8.188 -2.701 2.890 206 HG12 ILE 26 2HG1 ILE 26 -9.665 -3.935 5.254 207 HG13 ILE 26 1HG1 ILE 26 -8.053 -4.485 4.815 208 HG21 ILE 26 1HG2 ILE 26 -11.151 -2.986 3.505 209 HG22 ILE 26 2HG2 ILE 26 -10.465 -2.170 2.100 210 HG23 ILE 26 3HG2 ILE 26 -10.191 -1.519 3.719 211 HD11 ILE 26 3HD1 ILE 26 -7.997 -2.848 6.586 212 HD12 ILE 26 1HD1 ILE 26 -8.765 -1.653 5.537 213 HD13 ILE 26 2HD1 ILE 26 -7.162 -2.290 5.140 214 H ALA 27 H ALA 27 -7.313 -4.500 0.595 215 HA ALA 27 HA ALA 27 -8.975 -3.527 -1.587 216 HB1 ALA 27 1HB ALA 27 -6.065 -4.406 -1.582 217 HB2 ALA 27 2HB ALA 27 -6.649 -2.752 -1.386 218 HB3 ALA 27 3HB ALA 27 -6.902 -3.599 -2.913 219 H GLN 28 H GLN 28 -7.382 -6.563 -0.610 220 HA GLN 28 HA GLN 28 -7.993 -8.215 -2.796 221 HB2 GLN 28 2HB GLN 28 -7.833 -8.930 0.160 222 HB3 GLN 28 1HB GLN 28 -7.862 -10.114 -1.143 223 HG2 GLN 28 2HG GLN 28 -5.690 -9.399 -1.929 224 HG3 GLN 28 1HG GLN 28 -5.685 -8.033 -0.811 225 HE21 GLN 28 1HE2 GLN 28 -6.789 -11.288 0.068 226 HE22 GLN 28 2HE2 GLN 28 -5.519 -11.593 1.182 227 H SER 29 H SER 29 -9.835 -7.347 0.069 228 HA SER 29 HA SER 29 -12.085 -9.058 -0.448 229 HB2 SER 29 2HB SER 29 -11.747 -6.778 1.556 230 HB3 SER 29 1HB SER 29 -13.036 -7.986 1.570 231 HG SER 29 HG SER 29 -10.536 -8.149 2.566 232 H LYS 30 H LYS 30 -11.138 -6.343 -2.037 233 HA LYS 30 HA LYS 30 -11.971 -4.494 -3.000 234 HB2 LYS 30 2HB LYS 30 -13.932 -4.905 -4.533 235 HB3 LYS 30 1HB LYS 30 -12.594 -6.026 -4.716 236 HG2 LYS 30 2HG LYS 30 -13.827 -7.727 -3.440 237 HG3 LYS 30 1HG LYS 30 -15.166 -6.601 -3.228 238 HD2 LYS 30 2HD LYS 30 -15.595 -6.609 -5.641 239 HD3 LYS 30 1HD LYS 30 -14.189 -7.649 -5.909 240 HE2 LYS 30 2HE LYS 30 -15.240 -9.441 -4.603 241 HE3 LYS 30 1HE LYS 30 -16.631 -8.407 -4.270 242 HZ1 LYS 30 3HZ LYS 30 -15.779 -9.287 -6.971 243 HZ2 LYS 30 1HZ LYS 30 -17.164 -8.395 -6.598 244 HZ3 LYS 30 2HZ LYS 30 -17.022 -9.989 -6.071 245 H ASP 31 H ASP 31 -12.194 -3.781 -0.737 246 HA ASP 31 HA ASP 31 -14.887 -2.749 -0.225 247 HB2 ASP 31 2HB ASP 31 -12.236 -2.312 1.201 248 HB3 ASP 31 1HB ASP 31 -13.732 -1.495 1.653 249 H TYR 32 H TYR 32 -15.413 -0.639 -0.526 250 HA TYR 32 HA TYR 32 -13.753 0.859 -2.457 251 HB2 TYR 32 2HB TYR 32 -16.730 1.318 -2.081 252 HB3 TYR 32 1HB TYR 32 -15.749 1.577 -3.520 253 HD1 TYR 32 2HD TYR 32 -14.428 -1.101 -3.824 254 HD2 TYR 32 1HD TYR 32 -18.456 -0.135 -2.802 255 HE1 TYR 32 2HE TYR 32 -15.150 -3.296 -4.632 256 HE2 TYR 32 1HE TYR 32 -19.190 -2.324 -3.628 257 HH TYR 32 HH TYR 32 -18.462 -4.053 -5.131 258 H GLU 33 H GLU 33 -16.362 1.580 -0.104 259 HA GLU 33 HA GLU 33 -15.129 4.130 0.559 260 HB2 GLU 33 2HB GLU 33 -17.742 2.944 1.558 261 HB3 GLU 33 1HB GLU 33 -17.179 4.596 1.822 262 HG2 GLU 33 2HG GLU 33 -17.101 4.779 -0.771 263 HG3 GLU 33 1HG GLU 33 -18.075 3.311 -0.764 264 H SER 34 H SER 34 -15.462 0.968 2.003 265 HA SER 34 HA SER 34 -14.553 1.702 4.623 266 HB2 SER 34 2HB SER 34 -14.303 -1.020 3.277 267 HB3 SER 34 1HB SER 34 -14.336 -0.688 5.010 268 HG SER 34 HG SER 34 -16.461 -0.262 4.910 269 H TRP 35 H TRP 35 -13.037 1.007 1.567 270 HA TRP 35 HA TRP 35 -10.313 0.816 2.592 271 HB2 TRP 35 2HB TRP 35 -11.225 -0.571 0.680 272 HB3 TRP 35 1HB TRP 35 -11.299 0.892 -0.287 273 HD1 TRP 35 HD TRP 35 -8.432 -0.779 1.808 274 HE1 TRP 35 1HE TRP 35 -6.366 -0.955 0.295 275 HE3 TRP 35 3HE TRP 35 -10.347 1.353 -2.427 276 HZ2 TRP 35 2HZ TRP 35 -5.646 -0.296 -2.337 277 HZ3 TRP 35 3HZ TRP 35 -8.898 1.530 -4.419 278 HH2 TRP 35 HH TRP 35 -6.586 0.726 -4.369 279 H LYS 36 H LYS 36 -12.480 3.245 1.321 280 HA LYS 36 HA LYS 36 -10.792 5.309 0.523 281 HB2 LYS 36 2HB LYS 36 -13.457 5.275 1.966 282 HB3 LYS 36 1HB LYS 36 -12.631 6.811 1.777 283 HG2 LYS 36 2HG LYS 36 -12.691 6.526 -0.681 284 HG3 LYS 36 1HG LYS 36 -13.581 5.011 -0.474 285 HD2 LYS 36 2HD LYS 36 -15.461 6.157 0.536 286 HD3 LYS 36 1HD LYS 36 -14.558 7.666 0.657 287 HE2 LYS 36 2HE LYS 36 -14.594 7.945 -1.742 288 HE3 LYS 36 1HE LYS 36 -15.347 6.358 -1.962 289 HZ1 LYS 36 3HZ LYS 36 -16.940 8.207 -2.096 290 HZ2 LYS 36 1HZ LYS 36 -16.588 8.633 -0.495 291 HZ3 LYS 36 2HZ LYS 36 -17.311 7.142 -0.838 292 H SER 37 H SER 37 -11.658 4.196 3.762 293 HA SER 37 HA SER 37 -10.767 6.364 5.299 294 HB2 SER 37 2HB SER 37 -12.324 4.583 6.093 295 HB3 SER 37 1HB SER 37 -10.990 3.436 6.127 296 HG SER 37 HG SER 37 -10.028 4.630 7.748 297 H ARG 38 H ARG 38 -8.973 3.849 3.737 298 HA ARG 38 HA ARG 38 -6.615 3.903 5.376 299 HB2 ARG 38 2HB ARG 38 -6.799 3.027 2.467 300 HB3 ARG 38 1HB ARG 38 -5.590 2.549 3.639 301 HG2 ARG 38 2HG ARG 38 -8.472 1.686 3.417 302 HG3 ARG 38 1HG ARG 38 -7.021 0.688 3.328 303 HD2 ARG 38 2HD ARG 38 -8.071 2.081 5.808 304 HD3 ARG 38 1HD ARG 38 -8.240 0.385 5.407 305 HE ARG 38 HE ARG 38 -5.509 1.174 5.469 306 HH11 ARG 38 1HH1 ARG 38 -8.184 0.257 7.573 307 HH12 ARG 38 2HH1 ARG 38 -7.142 -0.287 8.849 308 HH21 ARG 38 1HH2 ARG 38 -4.161 0.412 7.131 309 HH22 ARG 38 2HH2 ARG 38 -4.863 -0.199 8.599 310 H PHE 39 H PHE 39 -7.809 5.660 2.607 311 HA PHE 39 HA PHE 39 -5.259 6.945 1.956 312 HB2 PHE 39 2HB PHE 39 -8.015 7.024 0.622 313 HB3 PHE 39 1HB PHE 39 -6.608 7.908 0.037 314 HD1 PHE 39 2HD PHE 39 -4.600 6.674 -0.801 315 HD2 PHE 39 1HD PHE 39 -8.248 4.664 0.152 316 HE1 PHE 39 2HE PHE 39 -3.812 4.696 -2.024 317 HE2 PHE 39 1HE PHE 39 -7.476 2.697 -1.099 318 HZ PHE 39 HZ PHE 39 -5.272 2.708 -2.198 319 H THR 40 H THR 40 -5.231 9.255 1.511 320 HA THR 40 HA THR 40 -6.301 11.044 3.413 321 HB THR 40 HB THR 40 -5.175 12.742 2.325 322 HG1 THR 40 1HG THR 40 -5.298 13.097 0.041 323 HG21 THR 40 3HG2 THR 40 -3.529 10.890 2.171 324 HG22 THR 40 1HG2 THR 40 -3.327 12.082 0.888 325 HG23 THR 40 2HG2 THR 40 -4.103 10.535 0.544 326 H LYS 41 H LYS 41 -7.841 12.720 3.039 327 HA LYS 41 HA LYS 41 -10.393 11.779 2.367 328 HB2 LYS 41 2HB LYS 41 -9.281 14.500 2.987 329 HB3 LYS 41 1HB LYS 41 -10.968 14.343 2.520 330 HG2 LYS 41 2HG LYS 41 -10.811 14.426 4.936 331 HG3 LYS 41 1HG LYS 41 -11.320 12.807 4.461 332 HD2 LYS 41 2HD LYS 41 -9.069 11.941 4.853 333 HD3 LYS 41 1HD LYS 41 -8.462 13.566 5.189 334 HE2 LYS 41 2HE LYS 41 -8.817 12.293 7.265 335 HE3 LYS 41 1HE LYS 41 -9.893 13.689 7.194 336 HZ1 LYS 41 3HZ LYS 41 -10.663 10.902 6.511 337 HZ2 LYS 41 1HZ LYS 41 -11.694 12.240 6.534 338 HZ3 LYS 41 2HZ LYS 41 -11.010 11.674 7.972 339 H ASP 42 H ASP 42 -8.002 13.431 0.473 340 HA ASP 42 HA ASP 42 -9.677 14.334 -1.655 341 HB2 ASP 42 2HB ASP 42 -7.013 14.804 -0.904 342 HB3 ASP 42 1HB ASP 42 -6.806 13.844 -2.351 343 H LEU 43 H LEU 43 -7.475 11.571 -1.178 344 HA LEU 43 HA LEU 43 -7.846 10.467 -3.770 345 HB2 LEU 43 2HB LEU 43 -6.612 9.338 -1.251 346 HB3 LEU 43 1HB LEU 43 -6.855 8.332 -2.667 347 HG LEU 43 HG LEU 43 -5.535 10.190 -3.960 348 HD11 LEU 43 1HD1 LEU 43 -3.884 11.426 -2.685 349 HD12 LEU 43 2HD1 LEU 43 -4.615 10.853 -1.183 350 HD13 LEU 43 3HD1 LEU 43 -5.537 11.886 -2.276 351 HD21 LEU 43 3HD2 LEU 43 -4.692 7.915 -3.616 352 HD22 LEU 43 1HD2 LEU 43 -4.068 8.373 -2.030 353 HD23 LEU 43 2HD2 LEU 43 -3.393 9.098 -3.493 354 H GLN 44 H GLN 44 -9.647 10.222 -0.831 355 HA GLN 44 HA GLN 44 -11.133 7.904 -1.222 356 HB2 GLN 44 2HB GLN 44 -11.979 10.546 -0.004 357 HB3 GLN 44 1HB GLN 44 -12.891 9.040 0.136 358 HG2 GLN 44 2HG GLN 44 -10.913 7.969 1.184 359 HG3 GLN 44 1HG GLN 44 -10.079 9.514 1.110 360 HE21 GLN 44 1HE2 GLN 44 -9.831 9.226 3.360 361 HE22 GLN 44 2HE2 GLN 44 -11.111 9.656 4.412 362 H SER 45 H SER 45 -11.814 11.218 -2.291 363 HA SER 45 HA SER 45 -14.078 10.513 -3.923 364 HB2 SER 45 2HB SER 45 -12.528 13.103 -3.850 365 HB3 SER 45 1HB SER 45 -14.157 12.877 -4.476 366 HG SER 45 HG SER 45 -13.982 13.751 -2.293 367 H SER 46 H SER 46 -10.704 10.442 -4.356 368 HA SER 46 HA SER 46 -10.806 10.567 -7.294 369 HB2 SER 46 2HB SER 46 -8.377 10.234 -5.475 370 HB3 SER 46 1HB SER 46 -8.367 10.597 -7.203 371 HG SER 46 HG SER 46 -9.651 12.282 -5.330 372 H LEU 47 H LEU 47 -11.265 8.228 -4.915 373 HA LEU 47 HA LEU 47 -9.869 6.015 -5.979 374 HB2 LEU 47 2HB LEU 47 -12.322 6.144 -4.242 375 HB3 LEU 47 1HB LEU 47 -11.705 4.615 -4.851 376 HG LEU 47 HG LEU 47 -10.467 6.473 -2.806 377 HD11 LEU 47 1HD1 LEU 47 -11.882 4.644 -2.059 378 HD12 LEU 47 2HD1 LEU 47 -10.212 4.404 -1.554 379 HD13 LEU 47 3HD1 LEU 47 -10.863 3.491 -2.925 380 HD21 LEU 47 3HD2 LEU 47 -8.642 6.149 -4.405 381 HD22 LEU 47 1HD2 LEU 47 -8.889 4.400 -4.378 382 HD23 LEU 47 2HD2 LEU 47 -8.334 5.242 -2.927 383 H THR 48 H THR 48 -10.332 4.589 -7.467 384 HA THR 48 HA THR 48 -12.633 5.057 -9.288 385 HB THR 48 HB THR 48 -11.166 4.315 -11.150 386 HG1 THR 48 1HG THR 48 -8.780 4.542 -9.786 387 HG21 THR 48 3HG2 THR 48 -11.238 6.753 -10.673 388 HG22 THR 48 1HG2 THR 48 -9.663 6.258 -11.299 389 HG23 THR 48 2HG2 THR 48 -9.861 6.574 -9.578 390 H GLU 49 H GLU 49 -13.506 3.119 -10.244 391 HA GLU 49 HA GLU 49 -13.443 0.821 -8.618 392 HB2 GLU 49 2HB GLU 49 -14.632 1.333 -11.339 393 HB3 GLU 49 1HB GLU 49 -14.706 -0.244 -10.595 394 HG2 GLU 49 2HG GLU 49 -16.015 0.560 -8.757 395 HG3 GLU 49 1HG GLU 49 -15.743 2.232 -9.207 396 H GLU 50 H GLU 50 -11.617 1.804 -11.423 397 HA GLU 50 HA GLU 50 -10.478 -0.564 -12.267 398 HB2 GLU 50 2HB GLU 50 -10.329 1.759 -13.301 399 HB3 GLU 50 1HB GLU 50 -9.091 2.156 -12.113 400 HG2 GLU 50 2HG GLU 50 -7.649 0.389 -13.007 401 HG3 GLU 50 1HG GLU 50 -8.903 -0.072 -14.153 402 H SER 51 H SER 51 -9.570 1.512 -9.530 403 HA SER 51 HA SER 51 -7.172 0.250 -8.751 404 HB2 SER 51 2HB SER 51 -9.202 1.769 -7.070 405 HB3 SER 51 1HB SER 51 -7.578 1.334 -6.528 406 HG SER 51 HG SER 51 -8.383 3.350 -8.207 407 H TYR 52 H TYR 52 -10.486 -0.709 -8.259 408 HA TYR 52 HA TYR 52 -9.589 -3.212 -6.999 409 HB2 TYR 52 2HB TYR 52 -11.927 -3.143 -5.780 410 HB3 TYR 52 1HB TYR 52 -10.566 -2.284 -5.094 411 HD1 TYR 52 2HD TYR 52 -13.680 -1.687 -7.200 412 HD2 TYR 52 1HD TYR 52 -10.746 0.006 -4.573 413 HE1 TYR 52 2HE TYR 52 -15.019 0.335 -6.981 414 HE2 TYR 52 1HE TYR 52 -12.101 2.042 -4.385 415 HH TYR 52 HH TYR 52 -15.334 2.190 -5.507 416 H ASP 53 H ASP 53 -9.881 -2.729 -9.721 417 HA ASP 53 HA ASP 53 -11.867 -4.831 -10.327 418 HB2 ASP 53 2HB ASP 53 -12.793 -2.605 -11.055 419 HB3 ASP 53 1HB ASP 53 -11.400 -2.383 -12.100 420 H SER 54 H SER 54 -9.367 -2.856 -12.041 421 HA SER 54 HA SER 54 -8.423 -4.914 -13.694 422 HB2 SER 54 2HB SER 54 -6.474 -3.465 -14.097 423 HB3 SER 54 1HB SER 54 -7.957 -2.520 -14.120 424 HG SER 54 HG SER 54 -7.213 -1.389 -12.516 425 H TYR 55 H TYR 55 -7.034 -3.568 -10.718 426 HA TYR 55 HA TYR 55 -5.023 -5.217 -9.971 427 HB2 TYR 55 2HB TYR 55 -5.530 -3.368 -8.561 428 HB3 TYR 55 1HB TYR 55 -7.226 -3.800 -8.432 429 HD1 TYR 55 1HD TYR 55 -3.815 -4.721 -7.223 430 HD2 TYR 55 2HD TYR 55 -8.018 -5.132 -6.593 431 HE1 TYR 55 1HE TYR 55 -3.397 -5.768 -5.049 432 HE2 TYR 55 2HE TYR 55 -7.586 -6.185 -4.415 433 HH TYR 55 HH TYR 55 -5.739 -7.428 -3.299 434 H LEU 56 H LEU 56 -8.492 -5.963 -9.745 435 HA LEU 56 HA LEU 56 -8.165 -8.316 -8.186 436 HB2 LEU 56 2HB LEU 56 -10.554 -7.292 -9.747 437 HB3 LEU 56 1HB LEU 56 -10.596 -8.765 -8.795 438 HG LEU 56 HG LEU 56 -10.192 -5.943 -7.738 439 HD11 LEU 56 1HD1 LEU 56 -12.497 -6.497 -8.364 440 HD12 LEU 56 2HD1 LEU 56 -12.326 -6.291 -6.625 441 HD13 LEU 56 3HD1 LEU 56 -12.454 -7.915 -7.309 442 HD21 LEU 56 3HD2 LEU 56 -10.167 -6.927 -5.476 443 HD22 LEU 56 1HD2 LEU 56 -8.795 -7.486 -6.432 444 HD23 LEU 56 2HD2 LEU 56 -10.177 -8.552 -6.169 445 H LYS 57 H LYS 57 -8.557 -7.777 -11.720 446 HA LYS 57 HA LYS 57 -8.803 -10.462 -12.501 447 HB2 LYS 57 2HB LYS 57 -7.743 -8.001 -13.878 448 HB3 LYS 57 1HB LYS 57 -7.666 -9.549 -14.670 449 HG2 LYS 57 2HG LYS 57 -9.584 -8.244 -15.416 450 HG3 LYS 57 1HG LYS 57 -10.062 -9.781 -14.724 451 HD2 LYS 57 2HD LYS 57 -10.147 -7.280 -13.038 452 HD3 LYS 57 1HD LYS 57 -11.409 -7.560 -14.225 453 HE2 LYS 57 2HE LYS 57 -10.710 -9.503 -12.013 454 HE3 LYS 57 1HE LYS 57 -12.009 -8.320 -11.930 455 HZ1 LYS 57 3HZ LYS 57 -13.015 -9.410 -13.875 456 HZ2 LYS 57 1HZ LYS 57 -12.879 -10.437 -12.536 457 HZ3 LYS 57 2HZ LYS 57 -11.801 -10.588 -13.825 458 H ILE 58 H ILE 58 -5.958 -8.489 -11.777 459 HA ILE 58 HA ILE 58 -3.991 -10.378 -12.441 460 HB ILE 58 HB ILE 58 -3.947 -8.102 -10.399 461 HG12 ILE 58 2HG1 ILE 58 -2.257 -7.076 -11.972 462 HG13 ILE 58 1HG1 ILE 58 -2.503 -8.420 -13.070 463 HG21 ILE 58 1HG2 ILE 58 -2.443 -9.786 -9.484 464 HG22 ILE 58 2HG2 ILE 58 -1.495 -8.440 -10.113 465 HG23 ILE 58 3HG2 ILE 58 -1.616 -9.940 -11.036 466 HD11 ILE 58 3HD1 ILE 58 -4.604 -6.438 -12.253 467 HD12 ILE 58 1HD1 ILE 58 -4.792 -7.733 -13.432 468 HD13 ILE 58 2HD1 ILE 58 -3.683 -6.399 -13.761 469 H LEU 59 H LEU 59 -5.701 -9.641 -9.442 470 HA LEU 59 HA LEU 59 -4.368 -11.352 -7.677 471 HB2 LEU 59 2HB LEU 59 -6.108 -9.344 -7.387 472 HB3 LEU 59 1HB LEU 59 -7.238 -10.633 -7.247 473 HG LEU 59 HG LEU 59 -5.847 -11.574 -5.344 474 HD11 LEU 59 1HD1 LEU 59 -4.449 -8.890 -5.521 475 HD12 LEU 59 2HD1 LEU 59 -3.732 -10.475 -5.842 476 HD13 LEU 59 3HD1 LEU 59 -4.280 -10.071 -4.219 477 HD21 LEU 59 3HD2 LEU 59 -7.927 -10.347 -4.947 478 HD22 LEU 59 1HD2 LEU 59 -7.043 -8.818 -4.938 479 HD23 LEU 59 2HD2 LEU 59 -6.747 -10.024 -3.681 480 H GLU 60 H GLU 60 -7.115 -11.861 -9.763 481 HA GLU 60 HA GLU 60 -8.293 -14.084 -8.585 482 HB2 GLU 60 2HB GLU 60 -8.362 -12.841 -11.344 483 HB3 GLU 60 1HB GLU 60 -9.222 -14.313 -11.028 484 HG2 GLU 60 2HG GLU 60 -10.550 -13.247 -9.287 485 HG3 GLU 60 1HG GLU 60 -9.649 -11.762 -9.525 486 H LYS 61 H LYS 61 -5.418 -13.812 -10.384 487 HA LYS 61 HA LYS 61 -5.196 -16.739 -10.694 488 HB2 LYS 61 2HB LYS 61 -3.801 -16.353 -12.707 489 HB3 LYS 61 1HB LYS 61 -5.451 -15.768 -12.897 490 HG2 LYS 61 2HG LYS 61 -4.595 -13.461 -12.315 491 HG3 LYS 61 1HG LYS 61 -2.969 -14.126 -12.411 492 HD2 LYS 61 2HD LYS 61 -3.464 -13.042 -14.518 493 HD3 LYS 61 1HD LYS 61 -3.433 -14.782 -14.802 494 HE2 LYS 61 2HE LYS 61 -5.902 -14.834 -14.754 495 HE3 LYS 61 1HE LYS 61 -5.938 -13.097 -14.434 496 HZ1 LYS 61 3HZ LYS 61 -4.839 -14.385 -16.880 497 HZ2 LYS 61 1HZ LYS 61 -4.877 -12.722 -16.579 498 HZ3 LYS 61 2HZ LYS 61 -6.319 -13.580 -16.771 499 H GLN 62 H GLN 62 -4.229 -14.277 -8.845 500 HA GLN 62 HA GLN 62 -1.488 -15.184 -8.375 501 HB2 GLN 62 2HB GLN 62 -3.176 -13.156 -6.837 502 HB3 GLN 62 1HB GLN 62 -1.485 -13.470 -6.595 503 HG2 GLN 62 2HG GLN 62 -2.775 -12.190 -8.953 504 HG3 GLN 62 1HG GLN 62 -1.740 -11.420 -7.772 505 HE21 GLN 62 1HE2 GLN 62 -1.895 -13.456 -10.552 506 HE22 GLN 62 2HE2 GLN 62 -0.225 -13.446 -10.908 507 H GLY 63 H GLY 63 -4.687 -15.984 -7.336 508 HA2 GLY 63 2HA GLY 63 -5.360 -17.434 -5.601 509 HA3 GLY 63 1HA GLY 63 -3.717 -17.449 -5.000 510 H GLU 64 H GLU 64 -4.968 -17.170 -2.913 511 HA GLU 64 HA GLU 64 -5.265 -14.280 -2.312 512 HB2 GLU 64 2HB GLU 64 -6.935 -16.620 -1.404 513 HB3 GLU 64 1HB GLU 64 -6.728 -15.266 -0.297 514 HG2 GLU 64 2HG GLU 64 -7.686 -13.726 -1.921 515 HG3 GLU 64 1HG GLU 64 -7.780 -15.006 -3.125 516 H PHE 65 H PHE 65 -4.997 -13.850 0.055 517 HA PHE 65 HA PHE 65 -2.230 -13.986 0.397 518 HB2 PHE 65 2HB PHE 65 -3.279 -12.033 1.211 519 HB3 PHE 65 1HB PHE 65 -4.484 -12.931 2.110 520 HD1 PHE 65 2HD PHE 65 -0.850 -12.063 2.073 521 HD2 PHE 65 1HD PHE 65 -4.173 -13.405 4.423 522 HE1 PHE 65 2HE PHE 65 0.500 -11.893 4.111 523 HE2 PHE 65 1HE PHE 65 -2.803 -13.228 6.462 524 HZ PHE 65 HZ PHE 65 -0.461 -12.475 6.307 525 H LYS 66 H LYS 66 -0.918 -15.314 1.377 526 HA LYS 66 HA LYS 66 -1.907 -17.245 3.399 527 HB2 LYS 66 2HB LYS 66 0.436 -17.657 1.477 528 HB3 LYS 66 1HB LYS 66 -0.213 -18.841 2.606 529 HG2 LYS 66 2HG LYS 66 -1.602 -17.736 0.150 530 HG3 LYS 66 1HG LYS 66 -0.905 -19.346 0.312 531 HD2 LYS 66 2HD LYS 66 -3.213 -18.313 2.009 532 HD3 LYS 66 1HD LYS 66 -3.419 -19.249 0.532 533 HE2 LYS 66 2HE LYS 66 -2.244 -21.150 1.531 534 HE3 LYS 66 1HE LYS 66 -1.948 -20.219 3.000 535 HZ1 LYS 66 3HZ LYS 66 -4.319 -20.118 3.386 536 HZ2 LYS 66 1HZ LYS 66 -3.836 -21.730 3.223 537 HZ3 LYS 66 2HZ LYS 66 -4.628 -20.955 1.951 538 H GLU 67 H GLU 67 0.665 -15.017 2.361 539 HA GLU 67 HA GLU 67 1.887 -14.891 4.987 540 HB2 GLU 67 2HB GLU 67 2.797 -16.995 4.135 541 HB3 GLU 67 1HB GLU 67 3.190 -16.258 2.591 542 HG2 GLU 67 2HG GLU 67 5.213 -16.518 3.709 543 HG3 GLU 67 1HG GLU 67 4.858 -14.815 3.811 544 H PHE 68 H PHE 68 3.573 -13.272 5.071 545 HA PHE 68 HA PHE 68 3.929 -11.495 2.724 546 HB2 PHE 68 2HB PHE 68 4.251 -10.924 5.713 547 HB3 PHE 68 1HB PHE 68 4.691 -9.796 4.443 548 HD1 PHE 68 1HD PHE 68 2.513 -9.755 2.601 549 HD2 PHE 68 2HD PHE 68 2.336 -10.109 6.867 550 HE1 PHE 68 1HE PHE 68 0.253 -8.788 2.599 551 HE2 PHE 68 2HE PHE 68 0.082 -9.143 6.841 552 HZ PHE 68 HZ PHE 68 -0.965 -8.471 4.712 553 H GLY 69 H GLY 69 6.040 -11.350 1.896 554 HA2 GLY 69 2HA GLY 69 8.079 -13.127 2.790 555 HA3 GLY 69 1HA GLY 69 8.189 -11.963 1.506 556 H LYS 70 H LYS 70 8.886 -9.932 1.897 557 HA LYS 70 HA LYS 70 10.040 -9.236 4.526 558 HB2 LYS 70 2HB LYS 70 11.511 -9.278 1.849 559 HB3 LYS 70 1HB LYS 70 12.136 -8.493 3.299 560 HG2 LYS 70 2HG LYS 70 12.168 -10.676 4.454 561 HG3 LYS 70 1HG LYS 70 11.564 -11.452 2.988 562 HD2 LYS 70 2HD LYS 70 13.628 -10.669 1.788 563 HD3 LYS 70 1HD LYS 70 14.233 -10.033 3.320 564 HE2 LYS 70 2HE LYS 70 14.171 -12.334 4.266 565 HE3 LYS 70 1HE LYS 70 13.607 -12.941 2.708 566 HZ1 LYS 70 3HZ LYS 70 15.976 -13.251 2.969 567 HZ2 LYS 70 1HZ LYS 70 16.206 -11.593 3.195 568 HZ3 LYS 70 2HZ LYS 70 15.666 -12.175 1.705 569 H CYS 71 H CYS 71 10.878 -6.879 4.382 570 HA CYS 71 HA CYS 71 9.026 -5.209 2.779 571 HB2 CYS 71 2HB CYS 71 9.654 -4.668 5.676 572 HB3 CYS 71 1HB CYS 71 8.444 -3.895 4.683 573 HG CYS 71 HG CYS 71 7.492 -6.880 4.519 574 H THR 72 H THR 72 10.330 -4.096 1.496 575 HA THR 72 HA THR 72 12.746 -2.760 2.566 576 HB THR 72 HB THR 72 11.887 -3.016 -0.331 577 HG1 THR 72 1HG THR 72 13.447 -4.679 1.311 578 HG21 THR 72 3HG2 THR 72 14.259 -2.413 -0.813 579 HG22 THR 72 1HG2 THR 72 14.511 -2.140 0.913 580 HG23 THR 72 2HG2 THR 72 13.384 -1.116 0.010 581 H TYR 73 H TYR 73 12.218 -0.803 3.306 582 HA TYR 73 HA TYR 73 9.749 0.486 2.631 583 HB2 TYR 73 2HB TYR 73 11.943 1.508 4.492 584 HB3 TYR 73 1HB TYR 73 10.323 2.123 4.344 585 HD1 TYR 73 2HD TYR 73 12.313 -0.753 5.584 586 HD2 TYR 73 1HD TYR 73 8.453 1.047 5.349 587 HE1 TYR 73 2HE TYR 73 11.491 -2.313 7.291 588 HE2 TYR 73 1HE TYR 73 7.621 -0.514 7.073 589 HH TYR 73 HH TYR 73 8.219 -2.775 7.944 590 H LEU 74 H LEU 74 9.485 2.482 1.779 591 HA LEU 74 HA LEU 74 11.587 3.538 -0.005 592 HB2 LEU 74 2HB LEU 74 8.603 4.170 -0.019 593 HB3 LEU 74 1HB LEU 74 9.783 4.640 -1.222 594 HG LEU 74 HG LEU 74 8.430 2.947 -2.126 595 HD11 LEU 74 1HD1 LEU 74 11.045 1.596 -1.445 596 HD12 LEU 74 2HD1 LEU 74 10.816 2.798 -2.722 597 HD13 LEU 74 3HD1 LEU 74 10.001 1.241 -2.827 598 HD21 LEU 74 3HD2 LEU 74 8.087 0.716 -1.281 599 HD22 LEU 74 1HD2 LEU 74 7.508 1.936 -0.153 600 HD23 LEU 74 2HD2 LEU 74 9.032 1.108 0.157 601 H GLY 75 H GLY 75 11.633 5.910 -0.213 602 HA2 GLY 75 2HA GLY 75 10.186 7.481 1.791 603 HA3 GLY 75 1HA GLY 75 11.948 7.590 1.775 604 H GLN 76 H GLN 76 10.023 9.675 1.247 605 HA GLN 76 HA GLN 76 10.975 10.667 -1.260 606 HB2 GLN 76 2HB GLN 76 8.308 10.945 -1.897 607 HB3 GLN 76 1HB GLN 76 9.330 9.663 -2.519 608 HG2 GLN 76 2HG GLN 76 8.447 8.081 -0.927 609 HG3 GLN 76 1HG GLN 76 7.623 9.355 -0.038 610 HE21 GLN 76 1HE2 GLN 76 5.625 8.263 -0.239 611 HE22 GLN 76 2HE2 GLN 76 4.758 8.226 -1.734 612 H ILE 77 H ILE 77 10.512 12.855 -1.588 613 HA ILE 77 HA ILE 77 8.781 14.277 0.378 614 HB ILE 77 HB ILE 77 11.234 15.488 -1.043 615 HG12 ILE 77 2HG1 ILE 77 12.013 15.783 1.477 616 HG13 ILE 77 1HG1 ILE 77 10.902 14.467 1.808 617 HG21 ILE 77 1HG2 ILE 77 10.785 17.495 0.346 618 HG22 ILE 77 2HG2 ILE 77 9.356 16.716 1.026 619 HG23 ILE 77 3HG2 ILE 77 9.407 17.120 -0.694 620 HD11 ILE 77 3HD1 ILE 77 13.153 13.656 1.597 621 HD12 ILE 77 1HD1 ILE 77 13.308 14.370 -0.007 622 HD13 ILE 77 2HD1 ILE 77 12.183 13.035 0.259 623 H LYS 78 H LYS 78 7.348 15.657 -0.581 624 HA LYS 78 HA LYS 78 7.034 15.628 -3.511 625 HB2 LYS 78 2HB LYS 78 5.726 13.820 -2.176 626 HB3 LYS 78 1HB LYS 78 4.793 15.122 -1.500 627 HG2 LYS 78 2HG LYS 78 4.891 14.424 -4.446 628 HG3 LYS 78 1HG LYS 78 3.660 13.869 -3.310 629 HD2 LYS 78 2HD LYS 78 4.184 16.747 -4.125 630 HD3 LYS 78 1HD LYS 78 2.825 15.747 -4.635 631 HE2 LYS 78 2HE LYS 78 2.019 15.652 -2.291 632 HE3 LYS 78 1HE LYS 78 3.392 16.655 -1.784 633 HZ1 LYS 78 3HZ LYS 78 1.220 17.470 -3.653 634 HZ2 LYS 78 1HZ LYS 78 2.555 18.427 -3.238 635 HZ3 LYS 78 2HZ LYS 78 1.424 17.991 -2.061 636 H ASP 79 H ASP 79 7.453 17.780 -3.767 637 HA ASP 79 HA ASP 79 7.240 20.000 -3.834 638 HB2 ASP 79 2HB ASP 79 4.588 19.453 -2.463 639 HB3 ASP 79 1HB ASP 79 5.100 21.086 -2.867 640 H ASN 80 H ASN 80 5.927 19.281 -0.587 641 HA ASN 80 HA ASN 80 8.058 20.812 0.684 642 HB2 ASN 80 2HB ASN 80 6.254 22.410 0.164 643 HB3 ASN 80 1HB ASN 80 5.071 21.372 0.931 644 HD21 ASN 80 1HD2 ASN 80 7.892 23.313 1.503 645 HD22 ASN 80 2HD2 ASN 80 7.529 23.616 3.138 646 H LYS 81 H LYS 81 5.847 18.183 0.672 647 HA LYS 81 HA LYS 81 5.963 17.791 3.601 648 HB2 LYS 81 2HB LYS 81 3.890 17.208 1.504 649 HB3 LYS 81 1HB LYS 81 4.084 15.973 2.732 650 HG2 LYS 81 2HG LYS 81 3.494 18.884 3.320 651 HG3 LYS 81 1HG LYS 81 2.283 17.601 3.219 652 HD2 LYS 81 2HD LYS 81 3.419 16.402 5.089 653 HD3 LYS 81 1HD LYS 81 4.591 17.717 5.199 654 HE2 LYS 81 2HE LYS 81 2.739 19.279 5.766 655 HE3 LYS 81 1HE LYS 81 1.609 17.923 5.719 656 HZ1 LYS 81 3HZ LYS 81 2.797 16.887 7.529 657 HZ2 LYS 81 1HZ LYS 81 2.354 18.456 7.967 658 HZ3 LYS 81 2HZ LYS 81 3.948 18.122 7.541 659 H LYS 82 H LYS 82 6.537 15.739 4.371 660 HA LYS 82 HA LYS 82 8.259 14.187 2.538 661 HB2 LYS 82 2HB LYS 82 8.233 14.291 5.583 662 HB3 LYS 82 1HB LYS 82 9.401 13.423 4.584 663 HG2 LYS 82 2HG LYS 82 10.250 15.493 3.663 664 HG3 LYS 82 1HG LYS 82 8.988 16.423 4.479 665 HD2 LYS 82 2HD LYS 82 9.960 15.702 6.681 666 HD3 LYS 82 1HD LYS 82 11.271 14.912 5.793 667 HE2 LYS 82 2HE LYS 82 12.007 17.027 4.877 668 HE3 LYS 82 1HE LYS 82 10.612 17.862 5.574 669 HZ1 LYS 82 3HZ LYS 82 12.781 16.548 7.109 670 HZ2 LYS 82 1HZ LYS 82 11.449 17.345 7.773 671 HZ3 LYS 82 2HZ LYS 82 12.588 18.209 6.884 672 H TYR 83 H TYR 83 8.172 11.933 2.649 673 HA TYR 83 HA TYR 83 5.598 10.711 3.367 674 HB2 TYR 83 2HB TYR 83 6.728 10.976 0.536 675 HB3 TYR 83 1HB TYR 83 5.481 9.816 0.952 676 HD1 TYR 83 2HD TYR 83 6.123 13.520 1.095 677 HD2 TYR 83 1HD TYR 83 3.234 10.454 0.617 678 HE1 TYR 83 2HE TYR 83 4.407 15.197 0.623 679 HE2 TYR 83 1HE TYR 83 1.529 12.145 0.142 680 HH TYR 83 HH TYR 83 1.109 14.522 0.622 681 H GLY 84 H GLY 84 5.696 8.393 3.371 682 HA2 GLY 84 2HA GLY 84 8.376 7.128 3.038 683 HA3 GLY 84 1HA GLY 84 7.425 6.879 4.500 684 H GLY 85 H GLY 85 8.282 4.826 2.609 685 HA2 GLY 85 2HA GLY 85 5.601 3.727 1.983 686 HA3 GLY 85 1HA GLY 85 6.918 3.640 0.825 687 H VAL 86 H VAL 86 5.960 1.342 1.278 688 HA VAL 86 HA VAL 86 8.104 -0.120 2.531 689 HB VAL 86 HB VAL 86 6.767 0.014 4.499 690 HG11 VAL 86 1HG1 VAL 86 4.373 -0.524 4.639 691 HG12 VAL 86 2HG1 VAL 86 4.327 -0.805 2.896 692 HG13 VAL 86 3HG1 VAL 86 4.670 0.809 3.520 693 HG21 VAL 86 3HG2 VAL 86 6.138 -2.331 4.962 694 HG22 VAL 86 1HG2 VAL 86 7.661 -2.238 4.076 695 HG23 VAL 86 2HG2 VAL 86 6.177 -2.689 3.233 696 H ILE 87 H ILE 87 8.614 -1.602 1.045 697 HA ILE 87 HA ILE 87 6.590 -2.699 -0.808 698 HB ILE 87 HB ILE 87 9.636 -3.063 -0.821 699 HG12 ILE 87 2HG1 ILE 87 7.865 -1.640 -2.855 700 HG13 ILE 87 1HG1 ILE 87 8.784 -0.822 -1.610 701 HG21 ILE 87 1HG2 ILE 87 8.531 -5.122 -1.626 702 HG22 ILE 87 2HG2 ILE 87 9.332 -4.291 -2.959 703 HG23 ILE 87 3HG2 ILE 87 7.580 -4.178 -2.779 704 HD11 ILE 87 3HD1 ILE 87 9.937 -2.456 -3.866 705 HD12 ILE 87 1HD1 ILE 87 10.866 -1.649 -2.598 706 HD13 ILE 87 2HD1 ILE 87 9.915 -0.698 -3.736 707 H ILE 88 H ILE 88 5.470 -3.925 0.692 708 HA ILE 88 HA ILE 88 6.957 -6.052 2.091 709 HB ILE 88 HB ILE 88 5.619 -4.802 3.630 710 HG12 ILE 88 2HG1 ILE 88 4.142 -7.412 3.094 711 HG13 ILE 88 1HG1 ILE 88 5.735 -7.316 3.837 712 HG21 ILE 88 1HG2 ILE 88 3.179 -5.288 1.893 713 HG22 ILE 88 2HG2 ILE 88 3.980 -3.739 2.162 714 HG23 ILE 88 3HG2 ILE 88 3.159 -4.549 3.498 715 HD11 ILE 88 3HD1 ILE 88 3.189 -6.163 4.953 716 HD12 ILE 88 1HD1 ILE 88 4.790 -6.028 5.684 717 HD13 ILE 88 2HD1 ILE 88 4.032 -7.609 5.506 718 H VAL 89 H VAL 89 7.211 -7.611 0.640 719 HA VAL 89 HA VAL 89 5.375 -8.203 -1.430 720 HB VAL 89 HB VAL 89 7.720 -8.813 -1.672 721 HG11 VAL 89 1HG1 VAL 89 8.280 -9.419 0.516 722 HG12 VAL 89 2HG1 VAL 89 8.768 -10.659 -0.645 723 HG13 VAL 89 3HG1 VAL 89 7.332 -10.891 0.356 724 HG21 VAL 89 3HG2 VAL 89 6.018 -11.307 -1.814 725 HG22 VAL 89 1HG2 VAL 89 7.478 -10.991 -2.761 726 HG23 VAL 89 2HG2 VAL 89 6.020 -10.034 -3.040 727 H VAL 90 H VAL 90 3.662 -9.341 -1.443 728 HA VAL 90 HA VAL 90 2.852 -11.037 0.769 729 HB VAL 90 HB VAL 90 1.419 -10.091 -1.761 730 HG11 VAL 90 1HG1 VAL 90 -0.553 -11.203 -0.856 731 HG12 VAL 90 2HG1 VAL 90 0.399 -11.865 0.469 732 HG13 VAL 90 3HG1 VAL 90 0.721 -12.366 -1.197 733 HG21 VAL 90 3HG2 VAL 90 -0.034 -8.887 -0.262 734 HG22 VAL 90 1HG2 VAL 90 1.644 -8.437 0.110 735 HG23 VAL 90 2HG2 VAL 90 0.782 -9.595 1.150 736 H LYS 91 H LYS 91 2.904 -13.153 0.624 737 HA LYS 91 HA LYS 91 3.418 -14.543 -1.930 738 HB2 LYS 91 2HB LYS 91 3.480 -15.633 0.920 739 HB3 LYS 91 1HB LYS 91 3.958 -16.497 -0.536 740 HG2 LYS 91 2HG LYS 91 5.850 -14.918 -0.846 741 HG3 LYS 91 1HG LYS 91 5.378 -14.071 0.630 742 HD2 LYS 91 2HD LYS 91 5.754 -16.196 1.912 743 HD3 LYS 91 1HD LYS 91 6.314 -16.967 0.432 744 HE2 LYS 91 2HE LYS 91 8.206 -15.449 0.314 745 HE3 LYS 91 1HE LYS 91 7.599 -14.532 1.691 746 HZ1 LYS 91 3HZ LYS 91 9.367 -16.054 2.314 747 HZ2 LYS 91 1HZ LYS 91 8.457 -17.370 1.780 748 HZ3 LYS 91 2HZ LYS 91 7.927 -16.450 3.095 749 H TYR 92 H TYR 92 1.264 -14.173 -2.724 750 HA TYR 92 HA TYR 92 -1.052 -15.269 -1.400 751 HB2 TYR 92 2HB TYR 92 -0.613 -14.630 -4.352 752 HB3 TYR 92 1HB TYR 92 -2.148 -15.127 -3.667 753 HD1 TYR 92 2HD TYR 92 -2.951 -13.629 -1.649 754 HD2 TYR 92 1HD TYR 92 -0.296 -12.289 -4.682 755 HE1 TYR 92 2HE TYR 92 -3.571 -11.349 -1.131 756 HE2 TYR 92 1HE TYR 92 -0.928 -9.951 -4.164 757 HH TYR 92 HH TYR 92 -2.886 -8.753 -3.103 758 H GLU 93 H GLU 93 -2.306 -17.051 -2.741 759 HA GLU 93 HA GLU 93 -1.136 -19.488 -2.278 760 HB2 GLU 93 2HB GLU 93 -3.448 -18.622 -4.002 761 HB3 GLU 93 1HB GLU 93 -3.037 -20.302 -3.884 762 HG2 GLU 93 2HG GLU 93 -3.346 -20.213 -1.429 763 HG3 GLU 93 1HG GLU 93 -3.775 -18.507 -1.568 764 H GLU 94 H GLU 94 -1.520 -17.965 -5.482 765 HA GLU 94 HA GLU 94 0.392 -19.907 -6.657 766 HB2 GLU 94 2HB GLU 94 -1.834 -18.401 -8.095 767 HB3 GLU 94 1HB GLU 94 -0.844 -19.717 -8.727 768 HG2 GLU 94 2HG GLU 94 -1.856 -21.212 -6.947 769 HG3 GLU 94 1HG GLU 94 -2.956 -19.893 -6.570 770 H GLY 95 H GLY 95 0.252 -16.614 -5.815 771 HA2 GLY 95 2HA GLY 95 2.337 -15.901 -7.760 772 HA3 GLY 95 1HA GLY 95 0.840 -15.008 -7.871 773 H ASN 96 H ASN 96 3.852 -14.786 -6.683 774 HA ASN 96 HA ASN 96 3.187 -13.310 -4.225 775 HB2 ASN 96 2HB ASN 96 5.954 -13.545 -5.471 776 HB3 ASN 96 1HB ASN 96 5.558 -13.048 -3.835 777 HD21 ASN 96 1HD2 ASN 96 6.657 -14.536 -2.709 778 HD22 ASN 96 2HD2 ASN 96 6.399 -16.233 -2.808 779 H VAL 97 H VAL 97 2.906 -11.201 -4.211 780 HA VAL 97 HA VAL 97 4.053 -9.538 -6.361 781 HB VAL 97 HB VAL 97 1.342 -8.821 -5.161 782 HG11 VAL 97 1HG1 VAL 97 2.602 -8.149 -7.844 783 HG12 VAL 97 2HG1 VAL 97 2.554 -7.095 -6.428 784 HG13 VAL 97 3HG1 VAL 97 1.058 -7.539 -7.249 785 HG21 VAL 97 3HG2 VAL 97 0.963 -11.068 -6.028 786 HG22 VAL 97 1HG2 VAL 97 1.634 -10.606 -7.594 787 HG23 VAL 97 2HG2 VAL 97 0.127 -9.880 -7.029 788 H ASN 98 H ASN 98 4.821 -7.568 -5.667 789 HA ASN 98 HA ASN 98 5.468 -7.630 -2.790 790 HB2 ASN 98 2HB ASN 98 6.977 -6.118 -4.977 791 HB3 ASN 98 1HB ASN 98 7.562 -6.617 -3.404 792 HD21 ASN 98 1HD2 ASN 98 9.032 -8.130 -3.662 793 HD22 ASN 98 2HD2 ASN 98 9.044 -9.400 -4.814 794 H TYR 99 H TYR 99 3.690 -6.410 -1.962 795 HA TYR 99 HA TYR 99 2.598 -4.167 -3.368 796 HB2 TYR 99 2HB TYR 99 2.079 -5.433 -0.661 797 HB3 TYR 99 1HB TYR 99 1.296 -3.910 -1.091 798 HD1 TYR 99 1HD TYR 99 1.818 -7.386 -2.357 799 HD2 TYR 99 2HD TYR 99 -0.698 -3.940 -2.362 800 HE1 TYR 99 1HE TYR 99 0.175 -8.590 -3.713 801 HE2 TYR 99 2HE TYR 99 -2.354 -5.160 -3.714 802 HH TYR 99 HH TYR 99 -2.313 -7.079 -5.338 803 H SER 100 H SER 100 3.785 -2.388 -3.615 804 HA SER 100 HA SER 100 5.291 -1.140 -1.468 805 HB2 SER 100 2HB SER 100 6.116 -1.169 -3.820 806 HB3 SER 100 1HB SER 100 4.763 -0.155 -4.302 807 HG SER 100 HG SER 100 7.054 0.480 -2.847 808 H LEU 101 H LEU 101 3.726 -0.561 0.035 809 HA LEU 101 HA LEU 101 1.596 1.324 -0.668 810 HB2 LEU 101 2HB LEU 101 2.279 -0.262 1.796 811 HB3 LEU 101 1HB LEU 101 1.344 1.187 2.009 812 HG LEU 101 HG LEU 101 -0.171 -0.700 1.802 813 HD11 LEU 101 1HD1 LEU 101 -0.783 1.442 0.944 814 HD12 LEU 101 2HD1 LEU 101 -1.597 0.100 0.172 815 HD13 LEU 101 3HD1 LEU 101 -0.281 0.924 -0.665 816 HD21 LEU 101 3HD2 LEU 101 -0.347 -2.114 -0.174 817 HD22 LEU 101 1HD2 LEU 101 1.266 -2.264 0.525 818 HD23 LEU 101 2HD2 LEU 101 1.022 -1.278 -0.916 819 H ALA 102 H ALA 102 1.524 3.494 0.043 820 HA ALA 102 HA ALA 102 3.869 4.684 1.319 821 HB1 ALA 102 1HB ALA 102 4.628 4.489 -1.022 822 HB2 ALA 102 2HB ALA 102 4.445 6.176 -0.547 823 HB3 ALA 102 3HB ALA 102 3.226 5.410 -1.572 824 H TYR 103 H TYR 103 3.552 6.702 2.093 825 HA TYR 103 HA TYR 103 0.760 7.573 2.409 826 HB2 TYR 103 2HB TYR 103 2.620 7.328 4.825 827 HB3 TYR 103 1HB TYR 103 0.891 7.300 4.731 828 HD1 TYR 103 2HD TYR 103 3.828 5.228 3.793 829 HD2 TYR 103 1HD TYR 103 -0.241 5.275 5.084 830 HE1 TYR 103 2HE TYR 103 3.862 2.783 3.968 831 HE2 TYR 103 1HE TYR 103 -0.197 2.833 5.281 832 HH TYR 103 HH TYR 103 1.004 0.974 4.380 833 H ASP 104 H ASP 104 0.797 9.833 3.569 834 HA ASP 104 HA ASP 104 3.360 11.273 3.358 835 HB2 ASP 104 2HB ASP 104 2.164 13.202 4.202 836 HB3 ASP 104 1HB ASP 104 1.191 12.462 2.945 837 H GLU 105 H GLU 105 3.499 12.776 5.666 838 HA GLU 105 HA GLU 105 4.550 11.072 7.686 839 HB2 GLU 105 2HB GLU 105 3.884 14.029 7.629 840 HB3 GLU 105 1HB GLU 105 4.576 13.264 9.058 841 HG2 GLU 105 2HG GLU 105 6.608 12.791 8.005 842 HG3 GLU 105 1HG GLU 105 5.944 12.973 6.386 843 H ASP 106 H ASP 106 1.390 12.636 7.302 844 HA ASP 106 HA ASP 106 0.415 11.913 9.927 845 HB2 ASP 106 2HB ASP 106 -0.459 13.842 8.518 846 HB3 ASP 106 1HB ASP 106 -1.214 12.661 7.454 847 H MET 107 H MET 107 0.938 10.272 7.006 848 HA MET 107 HA MET 107 1.012 8.112 6.524 849 HB2 MET 107 2HB MET 107 0.129 7.707 9.393 850 HB3 MET 107 1HB MET 107 0.470 6.368 8.303 851 HG2 MET 107 2HG MET 107 2.782 7.426 7.957 852 HG3 MET 107 1HG MET 107 2.397 8.448 9.343 853 HE1 MET 107 3HE MET 107 2.578 3.846 9.578 854 HE2 MET 107 1HE MET 107 2.835 4.748 8.084 855 HE3 MET 107 2HE MET 107 1.238 4.719 8.839 856 H ASN 108 H ASN 108 -1.387 9.744 6.106 857 HA ASN 108 HA ASN 108 -3.376 7.681 5.545 858 HB2 ASN 108 2HB ASN 108 -4.381 9.679 4.162 859 HB3 ASN 108 1HB ASN 108 -4.478 9.723 5.881 860 HD21 ASN 108 1HD2 ASN 108 -3.330 11.297 6.986 861 HD22 ASN 108 2HD2 ASN 108 -2.562 12.577 6.139 862 H LEU 109 H LEU 109 -3.598 6.703 3.598 863 HA LEU 109 HA LEU 109 -1.276 6.356 2.076 864 HB2 LEU 109 2HB LEU 109 -4.015 5.222 1.946 865 HB3 LEU 109 1HB LEU 109 -3.091 5.144 0.439 866 HG LEU 109 HG LEU 109 -2.366 3.865 3.104 867 HD11 LEU 109 1HD1 LEU 109 -2.406 1.856 1.723 868 HD12 LEU 109 2HD1 LEU 109 -2.868 2.843 0.327 869 HD13 LEU 109 3HD1 LEU 109 -3.967 2.696 1.707 870 HD21 LEU 109 3HD2 LEU 109 -0.701 4.065 0.568 871 HD22 LEU 109 1HD2 LEU 109 -0.328 3.044 1.971 872 HD23 LEU 109 2HD2 LEU 109 -0.304 4.799 2.133 873 H VAL 110 H VAL 110 -0.737 6.852 0.129 874 HA VAL 110 HA VAL 110 -2.079 9.076 -1.246 875 HB VAL 110 HB VAL 110 0.041 9.466 0.458 876 HG11 VAL 110 1HG1 VAL 110 2.144 9.769 -0.762 877 HG12 VAL 110 2HG1 VAL 110 1.421 9.094 -2.221 878 HG13 VAL 110 3HG1 VAL 110 1.629 8.080 -0.791 879 HG21 VAL 110 3HG2 VAL 110 -0.392 11.052 -2.074 880 HG22 VAL 110 1HG2 VAL 110 0.398 11.593 -0.589 881 HG23 VAL 110 2HG2 VAL 110 -1.318 11.199 -0.574 882 H SER 111 H SER 111 -0.183 6.208 -1.266 883 HA SER 111 HA SER 111 -0.646 5.740 -4.076 884 HB2 SER 111 2HB SER 111 2.205 5.770 -2.957 885 HB3 SER 111 1HB SER 111 1.751 5.187 -4.559 886 HG SER 111 HG SER 111 0.765 7.569 -4.474 887 H PHE 112 H PHE 112 -1.798 3.916 -3.646 888 HA PHE 112 HA PHE 112 -0.531 1.729 -2.116 889 HB2 PHE 112 2HB PHE 112 -2.780 1.771 -1.411 890 HB3 PHE 112 1HB PHE 112 -3.416 2.197 -2.981 891 HD1 PHE 112 2HD PHE 112 -3.556 0.305 -4.776 892 HD2 PHE 112 1HD PHE 112 -2.537 -0.552 -0.688 893 HE1 PHE 112 2HE PHE 112 -4.106 -2.078 -5.118 894 HE2 PHE 112 1HE PHE 112 -3.090 -2.913 -1.060 895 HZ PHE 112 HZ PHE 112 -3.871 -3.676 -3.267 896 H THR 113 H THR 113 0.734 0.530 -3.298 897 HA THR 113 HA THR 113 0.150 0.062 -6.146 898 HB THR 113 HB THR 113 3.060 0.475 -5.433 899 HG1 THR 113 1HG THR 113 1.173 2.611 -5.464 900 HG21 THR 113 3HG2 THR 113 2.320 -0.018 -7.748 901 HG22 THR 113 1HG2 THR 113 3.127 1.548 -7.631 902 HG23 THR 113 2HG2 THR 113 1.365 1.472 -7.742 903 H MET 114 H MET 114 1.533 -1.765 -6.986 904 HA MET 114 HA MET 114 2.188 -3.736 -4.869 905 HB2 MET 114 2HB MET 114 1.329 -4.575 -7.633 906 HB3 MET 114 1HB MET 114 1.305 -5.499 -6.157 907 HG2 MET 114 2HG MET 114 -0.557 -3.966 -5.371 908 HG3 MET 114 1HG MET 114 -0.632 -3.359 -7.023 909 HE1 MET 114 3HE MET 114 -1.167 -5.006 -9.150 910 HE2 MET 114 1HE MET 114 -1.605 -6.703 -8.955 911 HE3 MET 114 2HE MET 114 0.045 -6.180 -8.632 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 14.863 18.161 -0.816 2 H2 GLY 1 2HT GLY 1 14.274 18.099 0.767 3 H3 GLY 1 3HT GLY 1 13.311 17.572 -0.518 4 HA2 GLY 1 1HA GLY 1 15.865 16.317 0.300 5 HA3 GLY 1 2HA GLY 1 14.274 15.724 0.755 6 H GLU 2 H GLU 2 16.009 14.073 -0.551 7 HA GLU 2 HA GLU 2 15.388 13.884 -3.393 8 HB2 GLU 2 2HB GLU 2 16.701 11.789 -3.283 9 HB3 GLU 2 1HB GLU 2 17.565 13.084 -2.503 10 HG2 GLU 2 2HG GLU 2 17.122 12.250 -0.359 11 HG3 GLU 2 1HG GLU 2 15.923 11.152 -0.974 12 H ILE 3 H ILE 3 14.772 11.365 -3.914 13 HA ILE 3 HA ILE 3 12.442 10.522 -2.286 14 HB ILE 3 HB ILE 3 13.188 9.670 -5.150 15 HG12 ILE 3 2HG1 ILE 3 12.534 12.086 -5.067 16 HG13 ILE 3 1HG1 ILE 3 11.386 11.124 -5.973 17 HG21 ILE 3 1HG2 ILE 3 11.895 7.950 -3.969 18 HG22 ILE 3 2HG2 ILE 3 10.902 8.686 -5.230 19 HG23 ILE 3 3HG2 ILE 3 10.661 9.136 -3.539 20 HD11 ILE 3 3HD1 ILE 3 9.862 11.162 -4.045 21 HD12 ILE 3 1HD1 ILE 3 10.269 12.777 -4.621 22 HD13 ILE 3 2HD1 ILE 3 11.029 12.149 -3.160 23 H LEU 4 H LEU 4 13.002 8.997 -0.910 24 HA LEU 4 HA LEU 4 15.634 7.889 -0.869 25 HB2 LEU 4 2HB LEU 4 13.259 7.639 1.004 26 HB3 LEU 4 1HB LEU 4 14.861 7.038 1.360 27 HG LEU 4 HG LEU 4 14.236 9.136 2.505 28 HD11 LEU 4 1HD1 LEU 4 16.579 8.547 2.299 29 HD12 LEU 4 2HD1 LEU 4 16.369 10.295 2.238 30 HD13 LEU 4 3HD1 LEU 4 16.663 9.392 0.748 31 HD21 LEU 4 3HD2 LEU 4 14.234 11.296 1.469 32 HD22 LEU 4 1HD2 LEU 4 12.959 10.275 0.806 33 HD23 LEU 4 2HD2 LEU 4 14.436 10.552 -0.121 34 H LYS 5 H LYS 5 16.089 5.701 -0.446 35 HA LYS 5 HA LYS 5 14.388 3.642 -1.651 36 HB2 LYS 5 2HB LYS 5 17.242 3.563 -0.625 37 HB3 LYS 5 1HB LYS 5 16.464 2.353 -1.614 38 HG2 LYS 5 2HG LYS 5 16.726 3.553 -3.574 39 HG3 LYS 5 1HG LYS 5 16.602 5.114 -2.755 40 HD2 LYS 5 2HD LYS 5 18.904 4.754 -1.824 41 HD3 LYS 5 1HD LYS 5 19.022 3.264 -2.765 42 HE2 LYS 5 2HE LYS 5 18.942 4.491 -4.839 43 HE3 LYS 5 1HE LYS 5 18.529 5.990 -4.006 44 HZ1 LYS 5 3HZ LYS 5 20.679 6.051 -3.016 45 HZ2 LYS 5 1HZ LYS 5 20.874 5.851 -4.685 46 HZ3 LYS 5 2HZ LYS 5 21.082 4.537 -3.644 47 H GLU 6 H GLU 6 14.086 5.011 1.075 48 HA GLU 6 HA GLU 6 13.790 2.827 2.927 49 HB2 GLU 6 2HB GLU 6 15.517 3.587 4.502 50 HB3 GLU 6 1HB GLU 6 16.268 3.182 2.961 51 HG2 GLU 6 2HG GLU 6 16.275 5.626 2.373 52 HG3 GLU 6 1HG GLU 6 15.637 5.991 3.984 53 H LEU 7 H LEU 7 13.390 3.982 5.238 54 HA LEU 7 HA LEU 7 11.493 6.147 4.842 55 HB2 LEU 7 2HB LEU 7 12.358 4.625 7.324 56 HB3 LEU 7 1HB LEU 7 11.171 5.926 7.358 57 HG LEU 7 HG LEU 7 10.903 3.242 5.954 58 HD11 LEU 7 1HD1 LEU 7 9.360 4.373 8.284 59 HD12 LEU 7 2HD1 LEU 7 10.606 3.121 8.349 60 HD13 LEU 7 3HD1 LEU 7 9.104 2.814 7.490 61 HD21 LEU 7 3HD2 LEU 7 9.824 4.965 4.585 62 HD22 LEU 7 1HD2 LEU 7 8.899 5.526 5.982 63 HD23 LEU 7 2HD2 LEU 7 8.629 3.908 5.322 64 HA PRO 8 HA PRO 8 14.652 9.325 6.007 65 HB2 PRO 8 2HB PRO 8 13.011 11.458 5.304 66 HB3 PRO 8 1HB PRO 8 14.062 10.608 4.153 67 HG2 PRO 8 2HG PRO 8 11.123 10.305 4.595 68 HG3 PRO 8 1HG PRO 8 12.043 10.275 3.078 69 HD2 PRO 8 2HD PRO 8 11.165 7.997 4.295 70 HD3 PRO 8 1HD PRO 8 12.622 8.049 3.310 71 H GLU 9 H GLU 9 13.183 11.749 6.968 72 HA GLU 9 HA GLU 9 13.269 10.913 9.733 73 HB2 GLU 9 2HB GLU 9 12.815 13.721 8.645 74 HB3 GLU 9 1HB GLU 9 13.285 13.284 10.285 75 HG2 GLU 9 2HG GLU 9 15.283 14.004 9.335 76 HG3 GLU 9 1HG GLU 9 15.365 12.247 9.239 77 H GLY 10 H GLY 10 11.678 10.913 11.199 78 HA2 GLY 10 2HA GLY 10 9.704 11.505 12.254 79 HA3 GLY 10 1HA GLY 10 9.234 12.406 10.825 80 H PHE 11 H PHE 11 10.196 9.098 10.336 81 HA PHE 11 HA PHE 11 7.341 8.199 10.300 82 HB2 PHE 11 2HB PHE 11 9.493 7.122 8.449 83 HB3 PHE 11 1HB PHE 11 7.783 6.800 8.370 84 HD1 PHE 11 2HD PHE 11 6.228 8.870 7.906 85 HD2 PHE 11 1HD PHE 11 10.395 8.800 7.216 86 HE1 PHE 11 2HE PHE 11 6.004 10.775 6.396 87 HE2 PHE 11 1HE PHE 11 10.175 10.742 5.731 88 HZ PHE 11 HZ PHE 11 7.981 11.712 5.326 89 H ASP 12 H ASP 12 7.098 5.835 10.464 90 HA ASP 12 HA ASP 12 9.035 4.557 12.303 91 HB2 ASP 12 2HB ASP 12 5.989 4.525 12.478 92 HB3 ASP 12 1HB ASP 12 7.057 3.564 13.477 93 H LYS 13 H LYS 13 9.596 2.546 11.695 94 HA LYS 13 HA LYS 13 8.870 1.464 9.202 95 HB2 LYS 13 2HB LYS 13 10.372 0.273 11.566 96 HB3 LYS 13 1HB LYS 13 10.304 -0.428 9.960 97 HG2 LYS 13 2HG LYS 13 11.402 1.584 9.022 98 HG3 LYS 13 1HG LYS 13 11.482 2.280 10.642 99 HD2 LYS 13 2HD LYS 13 13.644 1.360 10.070 100 HD3 LYS 13 1HD LYS 13 12.929 0.379 11.351 101 HE2 LYS 13 2HE LYS 13 12.262 -1.312 9.678 102 HE3 LYS 13 1HE LYS 13 12.957 -0.311 8.394 103 HZ1 LYS 13 3HZ LYS 13 14.479 -2.040 9.039 104 HZ2 LYS 13 1HZ LYS 13 14.441 -1.539 10.654 105 HZ3 LYS 13 2HZ LYS 13 15.112 -0.540 9.473 106 H GLU 14 H GLU 14 8.057 0.576 12.531 107 HA GLU 14 HA GLU 14 6.665 -1.822 11.995 108 HB2 GLU 14 2HB GLU 14 6.426 0.036 14.397 109 HB3 GLU 14 1HB GLU 14 5.852 -1.632 14.330 110 HG2 GLU 14 2HG GLU 14 8.210 -2.383 13.965 111 HG3 GLU 14 1HG GLU 14 8.744 -0.713 14.166 112 H THR 15 H THR 15 5.598 1.541 12.333 113 HA THR 15 HA THR 15 2.796 1.002 12.431 114 HB THR 15 HB THR 15 4.055 3.683 11.710 115 HG1 THR 15 1HG THR 15 4.337 4.020 13.947 116 HG21 THR 15 3HG2 THR 15 1.591 3.004 13.373 117 HG22 THR 15 1HG2 THR 15 1.558 3.540 11.693 118 HG23 THR 15 2HG2 THR 15 2.151 4.624 12.951 119 H VAL 16 H VAL 16 5.022 2.117 9.909 120 HA VAL 16 HA VAL 16 3.142 2.552 7.803 121 HB VAL 16 HB VAL 16 6.185 2.291 7.941 122 HG11 VAL 16 1HG1 VAL 16 4.632 2.807 5.383 123 HG12 VAL 16 2HG1 VAL 16 5.599 1.378 5.737 124 HG13 VAL 16 3HG1 VAL 16 6.382 2.949 5.567 125 HG21 VAL 16 3HG2 VAL 16 6.148 4.697 7.345 126 HG22 VAL 16 1HG2 VAL 16 5.184 4.386 8.793 127 HG23 VAL 16 2HG2 VAL 16 4.384 4.651 7.242 128 H ARG 17 H ARG 17 5.245 -0.209 8.674 129 HA ARG 17 HA ARG 17 4.583 -1.892 6.502 130 HB2 ARG 17 2HB ARG 17 6.500 -2.312 8.004 131 HB3 ARG 17 1HB ARG 17 5.375 -2.723 9.302 132 HG2 ARG 17 2HG ARG 17 4.461 -4.561 7.756 133 HG3 ARG 17 1HG ARG 17 5.837 -4.228 6.697 134 HD2 ARG 17 2HD ARG 17 5.983 -5.067 9.584 135 HD3 ARG 17 1HD ARG 17 6.254 -6.132 8.206 136 HE ARG 17 HE ARG 17 7.915 -3.743 8.646 137 HH11 ARG 17 1HH1 ARG 17 7.785 -7.234 8.373 138 HH12 ARG 17 2HH1 ARG 17 9.508 -7.406 8.310 139 HH21 ARG 17 1HH2 ARG 17 10.138 -3.961 8.518 140 HH22 ARG 17 2HH2 ARG 17 10.852 -5.537 8.395 141 H LYS 18 H LYS 18 3.327 -1.804 9.842 142 HA LYS 18 HA LYS 18 1.440 -3.796 9.821 143 HB2 LYS 18 2HB LYS 18 2.244 -2.515 11.803 144 HB3 LYS 18 1HB LYS 18 1.280 -1.135 11.289 145 HG2 LYS 18 2HG LYS 18 -0.777 -2.479 11.587 146 HG3 LYS 18 1HG LYS 18 0.213 -3.847 12.117 147 HD2 LYS 18 2HD LYS 18 1.086 -2.408 13.989 148 HD3 LYS 18 1HD LYS 18 -0.044 -1.145 13.497 149 HE2 LYS 18 2HE LYS 18 -0.931 -2.404 15.404 150 HE3 LYS 18 1HE LYS 18 -1.931 -2.679 13.975 151 HZ1 LYS 18 3HZ LYS 18 0.206 -4.516 14.903 152 HZ2 LYS 18 1HZ LYS 18 -0.886 -4.791 13.644 153 HZ3 LYS 18 2HZ LYS 18 -1.436 -4.718 15.241 154 H GLN 19 H GLN 19 1.008 -0.381 8.950 155 HA GLN 19 HA GLN 19 -1.762 -0.385 8.471 156 HB2 GLN 19 2HB GLN 19 0.522 1.433 7.924 157 HB3 GLN 19 1HB GLN 19 -0.812 1.641 6.812 158 HG2 GLN 19 2HG GLN 19 -1.029 1.755 9.814 159 HG3 GLN 19 1HG GLN 19 -0.889 3.154 8.766 160 HE21 GLN 19 1HE2 GLN 19 -2.972 0.486 9.716 161 HE22 GLN 19 2HE2 GLN 19 -4.418 1.166 9.085 162 H ALA 20 H ALA 20 0.902 -1.391 6.468 163 HA ALA 20 HA ALA 20 -0.538 -1.269 3.970 164 HB1 ALA 20 1HB ALA 20 1.551 -2.327 3.077 165 HB2 ALA 20 2HB ALA 20 2.211 -2.313 4.719 166 HB3 ALA 20 3HB ALA 20 1.812 -0.787 3.908 167 H MET 21 H MET 21 0.604 -3.641 6.326 168 HA MET 21 HA MET 21 -0.047 -6.020 5.130 169 HB2 MET 21 2HB MET 21 -0.108 -5.229 8.063 170 HB3 MET 21 1HB MET 21 -0.153 -6.900 7.500 171 HG2 MET 21 2HG MET 21 2.061 -6.826 6.751 172 HG3 MET 21 1HG MET 21 2.094 -5.074 6.686 173 HE1 MET 21 3HE MET 21 1.985 -7.229 10.745 174 HE2 MET 21 1HE MET 21 1.705 -8.077 9.225 175 HE3 MET 21 2HE MET 21 0.551 -6.863 9.786 176 H GLU 22 H GLU 22 -2.008 -3.859 7.092 177 HA GLU 22 HA GLU 22 -4.456 -5.291 7.083 178 HB2 GLU 22 2HB GLU 22 -3.910 -2.296 7.361 179 HB3 GLU 22 1HB GLU 22 -5.448 -3.077 7.739 180 HG2 GLU 22 2HG GLU 22 -4.454 -4.315 9.559 181 HG3 GLU 22 1HG GLU 22 -2.835 -3.781 9.113 182 H ASP 23 H ASP 23 -3.420 -2.413 5.163 183 HA ASP 23 HA ASP 23 -5.712 -2.177 3.592 184 HB2 ASP 23 2HB ASP 23 -2.896 -1.089 3.353 185 HB3 ASP 23 1HB ASP 23 -3.970 -0.888 1.973 186 H ILE 24 H ILE 24 -2.995 -4.272 3.061 187 HA ILE 24 HA ILE 24 -3.353 -4.984 0.353 188 HB ILE 24 HB ILE 24 -2.279 -6.512 2.768 189 HG12 ILE 24 2HG1 ILE 24 -0.819 -5.325 0.369 190 HG13 ILE 24 1HG1 ILE 24 -1.011 -4.518 1.909 191 HG21 ILE 24 1HG2 ILE 24 -1.357 -8.236 1.240 192 HG22 ILE 24 2HG2 ILE 24 -2.222 -7.500 -0.111 193 HG23 ILE 24 3HG2 ILE 24 -3.121 -8.225 1.224 194 HD11 ILE 24 3HD1 ILE 24 1.185 -5.486 1.674 195 HD12 ILE 24 1HD1 ILE 24 0.484 -7.088 1.475 196 HD13 ILE 24 2HD1 ILE 24 0.305 -6.232 3.008 197 H GLU 25 H GLU 25 -4.592 -6.350 3.376 198 HA GLU 25 HA GLU 25 -6.299 -8.281 2.160 199 HB2 GLU 25 2HB GLU 25 -6.223 -7.263 5.037 200 HB3 GLU 25 1HB GLU 25 -7.059 -8.718 4.470 201 HG2 GLU 25 2HG GLU 25 -4.871 -9.702 3.829 202 HG3 GLU 25 1HG GLU 25 -4.042 -8.277 4.468 203 H ILE 26 H ILE 26 -6.706 -4.960 3.270 204 HA ILE 26 HA ILE 26 -9.569 -4.876 3.246 205 HB ILE 26 HB ILE 26 -7.698 -2.505 2.772 206 HG12 ILE 26 2HG1 ILE 26 -7.001 -3.574 4.860 207 HG13 ILE 26 1HG1 ILE 26 -7.794 -2.054 5.219 208 HG21 ILE 26 1HG2 ILE 26 -10.036 -1.998 2.268 209 HG22 ILE 26 2HG2 ILE 26 -9.541 -1.147 3.732 210 HG23 ILE 26 3HG2 ILE 26 -10.536 -2.601 3.849 211 HD11 ILE 26 3HD1 ILE 26 -8.372 -3.755 6.800 212 HD12 ILE 26 1HD1 ILE 26 -8.973 -4.802 5.519 213 HD13 ILE 26 2HD1 ILE 26 -9.799 -3.283 5.879 214 H ALA 27 H ALA 27 -7.036 -4.537 0.845 215 HA ALA 27 HA ALA 27 -8.631 -3.437 -1.276 216 HB1 ALA 27 1HB ALA 27 -6.684 -3.973 -2.713 217 HB2 ALA 27 2HB ALA 27 -5.949 -4.866 -1.375 218 HB3 ALA 27 3HB ALA 27 -6.198 -3.124 -1.243 219 H GLN 28 H GLN 28 -7.292 -6.670 -0.564 220 HA GLN 28 HA GLN 28 -8.491 -8.161 -2.600 221 HB2 GLN 28 2HB GLN 28 -7.693 -9.019 0.218 222 HB3 GLN 28 1HB GLN 28 -8.078 -10.135 -1.091 223 HG2 GLN 28 2HG GLN 28 -6.154 -9.368 -2.373 224 HG3 GLN 28 1HG GLN 28 -5.801 -8.131 -1.169 225 HE21 GLN 28 1HE2 GLN 28 -6.310 -9.883 1.126 226 HE22 GLN 28 2HE2 GLN 28 -4.984 -10.979 1.201 227 H SER 29 H SER 29 -9.714 -7.225 0.570 228 HA SER 29 HA SER 29 -12.114 -8.789 0.509 229 HB2 SER 29 2HB SER 29 -11.101 -8.200 2.642 230 HB3 SER 29 1HB SER 29 -11.224 -6.479 2.280 231 HG SER 29 HG SER 29 -13.267 -6.497 2.833 232 H LYS 30 H LYS 30 -11.220 -5.929 -1.098 233 HA LYS 30 HA LYS 30 -12.255 -4.572 -2.565 234 HB2 LYS 30 2HB LYS 30 -14.652 -6.421 -2.314 235 HB3 LYS 30 1HB LYS 30 -14.340 -5.283 -3.626 236 HG2 LYS 30 2HG LYS 30 -12.382 -6.587 -4.327 237 HG3 LYS 30 1HG LYS 30 -12.619 -7.708 -2.980 238 HD2 LYS 30 2HD LYS 30 -14.535 -7.256 -5.303 239 HD3 LYS 30 1HD LYS 30 -13.480 -8.654 -5.085 240 HE2 LYS 30 2HE LYS 30 -14.717 -9.289 -3.052 241 HE3 LYS 30 1HE LYS 30 -15.747 -7.865 -3.216 242 HZ1 LYS 30 3HZ LYS 30 -16.565 -8.722 -5.294 243 HZ2 LYS 30 1HZ LYS 30 -16.804 -9.855 -4.067 244 HZ3 LYS 30 2HZ LYS 30 -15.557 -10.071 -5.185 245 H ASP 31 H ASP 31 -12.159 -3.679 -0.071 246 HA ASP 31 HA ASP 31 -14.699 -2.403 0.618 247 HB2 ASP 31 2HB ASP 31 -11.885 -2.016 1.750 248 HB3 ASP 31 1HB ASP 31 -13.326 -1.204 2.360 249 H TYR 32 H TYR 32 -15.288 -0.468 -0.127 250 HA TYR 32 HA TYR 32 -13.450 1.022 -1.883 251 HB2 TYR 32 2HB TYR 32 -16.413 1.615 -1.539 252 HB3 TYR 32 1HB TYR 32 -15.378 1.991 -2.915 253 HD1 TYR 32 2HD TYR 32 -14.096 -0.811 -3.203 254 HD2 TYR 32 1HD TYR 32 -18.147 0.418 -2.678 255 HE1 TYR 32 2HE TYR 32 -14.843 -2.911 -4.212 256 HE2 TYR 32 1HE TYR 32 -18.917 -1.680 -3.720 257 HH TYR 32 HH TYR 32 -16.916 -4.343 -4.180 258 H GLU 33 H GLU 33 -15.950 1.737 0.540 259 HA GLU 33 HA GLU 33 -15.085 4.386 1.106 260 HB2 GLU 33 2HB GLU 33 -16.863 2.553 2.767 261 HB3 GLU 33 1HB GLU 33 -16.735 4.303 2.949 262 HG2 GLU 33 2HG GLU 33 -17.627 4.584 0.641 263 HG3 GLU 33 1HG GLU 33 -17.808 2.833 0.517 264 H SER 34 H SER 34 -14.603 1.308 2.830 265 HA SER 34 HA SER 34 -13.326 2.383 5.137 266 HB2 SER 34 2HB SER 34 -14.491 0.212 5.195 267 HB3 SER 34 1HB SER 34 -13.352 -0.460 4.035 268 HG SER 34 HG SER 34 -13.126 -0.641 6.552 269 H TRP 35 H TRP 35 -12.161 1.213 2.018 270 HA TRP 35 HA TRP 35 -9.379 1.102 2.714 271 HB2 TRP 35 2HB TRP 35 -10.591 -0.144 0.796 272 HB3 TRP 35 1HB TRP 35 -10.496 1.365 -0.104 273 HD1 TRP 35 HD TRP 35 -7.815 -0.662 1.914 274 HE1 TRP 35 1HE TRP 35 -5.777 -1.014 0.398 275 HE3 TRP 35 3HE TRP 35 -9.507 1.722 -2.268 276 HZ2 TRP 35 2HZ TRP 35 -4.993 -0.380 -2.225 277 HZ3 TRP 35 3HZ TRP 35 -8.056 1.804 -4.250 278 HH2 TRP 35 HH TRP 35 -5.839 0.774 -4.230 279 H LYS 36 H LYS 36 -11.453 3.399 0.945 280 HA LYS 36 HA LYS 36 -9.739 5.515 0.389 281 HB2 LYS 36 2HB LYS 36 -12.687 5.420 1.153 282 HB3 LYS 36 1HB LYS 36 -11.905 6.965 0.850 283 HG2 LYS 36 2HG LYS 36 -11.416 6.317 -1.438 284 HG3 LYS 36 1HG LYS 36 -12.075 4.704 -1.158 285 HD2 LYS 36 2HD LYS 36 -13.613 6.335 -2.375 286 HD3 LYS 36 1HD LYS 36 -14.319 5.541 -0.965 287 HE2 LYS 36 2HE LYS 36 -13.962 7.573 0.362 288 HE3 LYS 36 1HE LYS 36 -13.143 8.343 -0.993 289 HZ1 LYS 36 3HZ LYS 36 -15.993 7.541 -0.893 290 HZ2 LYS 36 1HZ LYS 36 -15.223 8.218 -2.239 291 HZ3 LYS 36 2HZ LYS 36 -15.383 9.114 -0.814 292 H SER 37 H SER 37 -11.240 4.627 3.502 293 HA SER 37 HA SER 37 -10.932 7.038 4.923 294 HB2 SER 37 2HB SER 37 -10.942 4.178 6.006 295 HB3 SER 37 1HB SER 37 -11.192 5.635 6.977 296 HG SER 37 HG SER 37 -12.817 5.378 4.746 297 H ARG 38 H ARG 38 -8.643 4.406 4.318 298 HA ARG 38 HA ARG 38 -6.585 5.521 6.015 299 HB2 ARG 38 2HB ARG 38 -6.751 3.104 4.239 300 HB3 ARG 38 1HB ARG 38 -5.151 3.752 4.567 301 HG2 ARG 38 2HG ARG 38 -5.531 2.046 6.160 302 HG3 ARG 38 1HG ARG 38 -5.630 3.585 7.014 303 HD2 ARG 38 2HD ARG 38 -8.109 3.436 6.968 304 HD3 ARG 38 1HD ARG 38 -7.992 1.890 6.126 305 HE ARG 38 HE ARG 38 -7.837 2.293 8.896 306 HH11 ARG 38 1HH1 ARG 38 -6.169 0.347 6.438 307 HH12 ARG 38 2HH1 ARG 38 -5.727 -0.869 7.588 308 HH21 ARG 38 1HH2 ARG 38 -7.183 0.729 10.329 309 HH22 ARG 38 2HH2 ARG 38 -6.296 -0.657 9.783 310 H PHE 39 H PHE 39 -7.605 6.010 2.750 311 HA PHE 39 HA PHE 39 -5.125 7.134 1.803 312 HB2 PHE 39 2HB PHE 39 -7.933 6.950 0.685 313 HB3 PHE 39 1HB PHE 39 -6.749 7.993 -0.095 314 HD1 PHE 39 2HD PHE 39 -7.174 4.457 1.079 315 HD2 PHE 39 1HD PHE 39 -5.352 7.102 -1.724 316 HE1 PHE 39 2HE PHE 39 -6.232 2.543 -0.123 317 HE2 PHE 39 1HE PHE 39 -4.419 5.213 -2.931 318 HZ PHE 39 HZ PHE 39 -4.852 2.901 -2.148 319 H THR 40 H THR 40 -5.068 9.361 0.926 320 HA THR 40 HA THR 40 -5.649 11.347 2.922 321 HB THR 40 HB THR 40 -4.538 12.925 1.524 322 HG1 THR 40 1HG THR 40 -4.146 12.143 -0.825 323 HG21 THR 40 3HG2 THR 40 -2.967 11.166 2.211 324 HG22 THR 40 1HG2 THR 40 -2.530 11.829 0.633 325 HG23 THR 40 2HG2 THR 40 -3.335 10.263 0.737 326 H LYS 41 H LYS 41 -6.995 13.166 2.634 327 HA LYS 41 HA LYS 41 -9.616 12.785 1.825 328 HB2 LYS 41 2HB LYS 41 -7.998 15.301 2.186 329 HB3 LYS 41 1HB LYS 41 -9.741 15.325 1.947 330 HG2 LYS 41 2HG LYS 41 -8.197 14.144 4.284 331 HG3 LYS 41 1HG LYS 41 -9.279 15.543 4.304 332 HD2 LYS 41 2HD LYS 41 -11.195 14.046 3.762 333 HD3 LYS 41 1HD LYS 41 -10.113 12.649 3.796 334 HE2 LYS 41 2HE LYS 41 -11.343 12.827 5.902 335 HE3 LYS 41 1HE LYS 41 -9.622 13.115 6.177 336 HZ1 LYS 41 3HZ LYS 41 -11.637 15.275 5.851 337 HZ2 LYS 41 1HZ LYS 41 -10.021 15.449 6.310 338 HZ3 LYS 41 2HZ LYS 41 -11.112 14.682 7.344 339 H ASP 42 H ASP 42 -6.878 14.003 -0.001 340 HA ASP 42 HA ASP 42 -8.221 14.905 -2.337 341 HB2 ASP 42 2HB ASP 42 -5.861 15.509 -1.732 342 HB3 ASP 42 1HB ASP 42 -5.370 13.854 -2.040 343 H LEU 43 H LEU 43 -6.600 11.865 -1.438 344 HA LEU 43 HA LEU 43 -6.854 10.556 -3.937 345 HB2 LEU 43 2HB LEU 43 -6.150 9.627 -1.154 346 HB3 LEU 43 1HB LEU 43 -6.290 8.498 -2.487 347 HG LEU 43 HG LEU 43 -3.995 10.106 -1.724 348 HD11 LEU 43 1HD1 LEU 43 -4.413 8.190 -4.019 349 HD12 LEU 43 2HD1 LEU 43 -3.860 7.782 -2.389 350 HD13 LEU 43 3HD1 LEU 43 -2.843 8.764 -3.439 351 HD21 LEU 43 3HD2 LEU 43 -4.877 10.660 -4.554 352 HD22 LEU 43 1HD2 LEU 43 -3.310 11.065 -3.845 353 HD23 LEU 43 2HD2 LEU 43 -4.772 11.841 -3.242 354 H GLN 44 H GLN 44 -8.920 10.747 -1.094 355 HA GLN 44 HA GLN 44 -10.548 8.528 -1.480 356 HB2 GLN 44 2HB GLN 44 -11.202 11.206 -0.241 357 HB3 GLN 44 1HB GLN 44 -12.265 9.789 -0.171 358 HG2 GLN 44 2HG GLN 44 -10.477 8.521 0.948 359 HG3 GLN 44 1HG GLN 44 -9.443 9.934 0.904 360 HE21 GLN 44 1HE2 GLN 44 -9.258 9.704 3.160 361 HE22 GLN 44 2HE2 GLN 44 -10.500 10.276 4.188 362 H SER 45 H SER 45 -10.742 11.774 -2.912 363 HA SER 45 HA SER 45 -13.078 11.141 -4.525 364 HB2 SER 45 2HB SER 45 -11.289 13.581 -4.472 365 HB3 SER 45 1HB SER 45 -12.745 13.434 -5.455 366 HG SER 45 HG SER 45 -13.963 13.335 -3.608 367 H SER 46 H SER 46 -9.632 10.942 -4.793 368 HA SER 46 HA SER 46 -9.591 11.069 -7.715 369 HB2 SER 46 2HB SER 46 -7.879 12.298 -6.371 370 HB3 SER 46 1HB SER 46 -7.276 10.754 -5.775 371 HG SER 46 HG SER 46 -7.475 11.266 -8.542 372 H LEU 47 H LEU 47 -10.088 8.616 -5.445 373 HA LEU 47 HA LEU 47 -8.494 6.513 -6.471 374 HB2 LEU 47 2HB LEU 47 -11.055 6.421 -4.870 375 HB3 LEU 47 1HB LEU 47 -10.217 4.969 -5.400 376 HG LEU 47 HG LEU 47 -9.466 6.921 -3.243 377 HD11 LEU 47 1HD1 LEU 47 -10.464 4.803 -2.670 378 HD12 LEU 47 2HD1 LEU 47 -8.811 4.897 -2.066 379 HD13 LEU 47 3HD1 LEU 47 -9.175 3.948 -3.517 380 HD21 LEU 47 3HD2 LEU 47 -7.137 6.210 -3.211 381 HD22 LEU 47 1HD2 LEU 47 -7.504 7.106 -4.681 382 HD23 LEU 47 2HD2 LEU 47 -7.354 5.345 -4.738 383 H THR 48 H THR 48 -8.831 5.011 -7.955 384 HA THR 48 HA THR 48 -10.956 5.415 -9.937 385 HB THR 48 HB THR 48 -9.644 3.798 -11.335 386 HG1 THR 48 1HG THR 48 -7.351 3.820 -9.882 387 HG21 THR 48 3HG2 THR 48 -7.672 5.224 -11.774 388 HG22 THR 48 1HG2 THR 48 -7.928 6.067 -10.244 389 HG23 THR 48 2HG2 THR 48 -9.116 6.211 -11.542 390 H GLU 49 H GLU 49 -12.508 3.877 -10.323 391 HA GLU 49 HA GLU 49 -13.189 1.914 -8.379 392 HB2 GLU 49 2HB GLU 49 -14.746 3.058 -10.032 393 HB3 GLU 49 1HB GLU 49 -14.117 1.991 -11.272 394 HG2 GLU 49 2HG GLU 49 -14.833 0.059 -9.695 395 HG3 GLU 49 1HG GLU 49 -15.761 1.281 -8.829 396 H GLU 50 H GLU 50 -11.218 1.918 -11.227 397 HA GLU 50 HA GLU 50 -11.008 -0.794 -11.847 398 HB2 GLU 50 2HB GLU 50 -9.171 1.599 -12.263 399 HB3 GLU 50 1HB GLU 50 -8.977 0.058 -13.059 400 HG2 GLU 50 2HG GLU 50 -11.034 0.306 -14.284 401 HG3 GLU 50 1HG GLU 50 -11.490 1.712 -13.318 402 H SER 51 H SER 51 -9.491 1.221 -9.420 403 HA SER 51 HA SER 51 -7.449 -0.670 -8.628 404 HB2 SER 51 2HB SER 51 -7.268 1.836 -8.294 405 HB3 SER 51 1HB SER 51 -8.512 1.717 -7.051 406 HG SER 51 HG SER 51 -7.079 0.246 -5.950 407 H TYR 52 H TYR 52 -10.684 -0.963 -8.455 408 HA TYR 52 HA TYR 52 -10.555 -2.831 -6.155 409 HB2 TYR 52 2HB TYR 52 -13.088 -1.513 -7.244 410 HB3 TYR 52 1HB TYR 52 -12.950 -2.515 -5.802 411 HD1 TYR 52 1HD TYR 52 -11.254 -1.543 -3.956 412 HD2 TYR 52 2HD TYR 52 -13.221 0.781 -6.955 413 HE1 TYR 52 1HE TYR 52 -11.042 0.457 -2.563 414 HE2 TYR 52 2HE TYR 52 -13.001 2.779 -5.569 415 HH TYR 52 HH TYR 52 -11.059 2.827 -2.726 416 H ASP 53 H ASP 53 -10.067 -3.049 -9.293 417 HA ASP 53 HA ASP 53 -12.015 -5.188 -9.866 418 HB2 ASP 53 2HB ASP 53 -13.071 -2.906 -10.316 419 HB3 ASP 53 1HB ASP 53 -11.919 -2.698 -11.619 420 H SER 54 H SER 54 -9.907 -3.015 -11.821 421 HA SER 54 HA SER 54 -9.293 -4.916 -13.772 422 HB2 SER 54 2HB SER 54 -7.678 -2.441 -13.017 423 HB3 SER 54 1HB SER 54 -7.575 -3.322 -14.545 424 HG SER 54 HG SER 54 -8.943 -1.706 -14.957 425 H TYR 55 H TYR 55 -7.512 -4.022 -10.836 426 HA TYR 55 HA TYR 55 -5.204 -5.624 -11.347 427 HB2 TYR 55 2HB TYR 55 -4.401 -4.870 -9.280 428 HB3 TYR 55 1HB TYR 55 -5.493 -3.569 -9.725 429 HD1 TYR 55 2HD TYR 55 -7.834 -3.501 -8.597 430 HD2 TYR 55 1HD TYR 55 -4.732 -6.119 -7.280 431 HE1 TYR 55 2HE TYR 55 -8.982 -3.818 -6.452 432 HE2 TYR 55 1HE TYR 55 -5.896 -6.448 -5.159 433 HH TYR 55 HH TYR 55 -9.093 -5.458 -4.668 434 H LEU 56 H LEU 56 -8.361 -6.207 -9.879 435 HA LEU 56 HA LEU 56 -7.812 -8.519 -8.382 436 HB2 LEU 56 2HB LEU 56 -10.384 -7.578 -9.682 437 HB3 LEU 56 1HB LEU 56 -10.308 -9.092 -8.800 438 HG LEU 56 HG LEU 56 -9.845 -6.325 -7.630 439 HD11 LEU 56 1HD1 LEU 56 -12.192 -6.785 -8.109 440 HD12 LEU 56 2HD1 LEU 56 -11.895 -6.750 -6.370 441 HD13 LEU 56 3HD1 LEU 56 -12.099 -8.299 -7.203 442 HD21 LEU 56 3HD2 LEU 56 -9.730 -7.474 -5.435 443 HD22 LEU 56 1HD2 LEU 56 -8.401 -7.952 -6.493 444 HD23 LEU 56 2HD2 LEU 56 -9.772 -9.039 -6.254 445 H LYS 57 H LYS 57 -8.393 -8.067 -11.811 446 HA LYS 57 HA LYS 57 -8.859 -10.680 -12.658 447 HB2 LYS 57 2HB LYS 57 -7.392 -8.452 -14.080 448 HB3 LYS 57 1HB LYS 57 -8.029 -9.895 -14.849 449 HG2 LYS 57 2HG LYS 57 -9.805 -7.937 -13.367 450 HG3 LYS 57 1HG LYS 57 -9.407 -7.760 -15.061 451 HD2 LYS 57 2HD LYS 57 -11.504 -8.815 -15.135 452 HD3 LYS 57 1HD LYS 57 -10.387 -10.157 -15.365 453 HE2 LYS 57 2HE LYS 57 -10.663 -10.786 -12.990 454 HE3 LYS 57 1HE LYS 57 -11.728 -9.403 -12.742 455 HZ1 LYS 57 3HZ LYS 57 -13.009 -11.390 -13.029 456 HZ2 LYS 57 1HZ LYS 57 -12.259 -11.732 -14.507 457 HZ3 LYS 57 2HZ LYS 57 -13.261 -10.378 -14.357 458 H ILE 58 H ILE 58 -5.867 -8.981 -11.971 459 HA ILE 58 HA ILE 58 -4.062 -11.046 -12.825 460 HB ILE 58 HB ILE 58 -3.609 -8.641 -10.995 461 HG12 ILE 58 2HG1 ILE 58 -2.285 -7.748 -12.986 462 HG13 ILE 58 1HG1 ILE 58 -2.927 -9.071 -13.945 463 HG21 ILE 58 1HG2 ILE 58 -1.961 -10.356 -10.409 464 HG22 ILE 58 2HG2 ILE 58 -1.162 -9.027 -11.250 465 HG23 ILE 58 3HG2 ILE 58 -1.499 -10.535 -12.105 466 HD11 ILE 58 3HD1 ILE 58 -5.192 -8.176 -13.596 467 HD12 ILE 58 1HD1 ILE 58 -4.118 -7.010 -14.371 468 HD13 ILE 58 2HD1 ILE 58 -4.510 -6.847 -12.657 469 H LEU 59 H LEU 59 -5.530 -9.999 -9.804 470 HA LEU 59 HA LEU 59 -4.205 -11.631 -7.948 471 HB2 LEU 59 2HB LEU 59 -5.973 -9.680 -7.690 472 HB3 LEU 59 1HB LEU 59 -7.110 -10.964 -7.599 473 HG LEU 59 HG LEU 59 -5.845 -11.918 -5.639 474 HD11 LEU 59 1HD1 LEU 59 -4.256 -10.483 -4.441 475 HD12 LEU 59 2HD1 LEU 59 -4.307 -9.311 -5.762 476 HD13 LEU 59 3HD1 LEU 59 -3.661 -10.931 -6.038 477 HD21 LEU 59 3HD2 LEU 59 -6.899 -9.102 -5.267 478 HD22 LEU 59 1HD2 LEU 59 -6.732 -10.331 -4.009 479 HD23 LEU 59 2HD2 LEU 59 -7.872 -10.573 -5.331 480 H GLU 60 H GLU 60 -6.948 -12.282 -10.040 481 HA GLU 60 HA GLU 60 -8.006 -14.564 -8.940 482 HB2 GLU 60 2HB GLU 60 -7.821 -13.746 -11.847 483 HB3 GLU 60 1HB GLU 60 -8.854 -15.018 -11.240 484 HG2 GLU 60 2HG GLU 60 -9.063 -12.081 -10.644 485 HG3 GLU 60 1HG GLU 60 -10.127 -13.056 -11.610 486 H LYS 61 H LYS 61 -5.212 -14.084 -10.953 487 HA LYS 61 HA LYS 61 -4.707 -16.982 -11.264 488 HB2 LYS 61 2HB LYS 61 -3.154 -16.319 -13.133 489 HB3 LYS 61 1HB LYS 61 -4.849 -15.956 -13.432 490 HG2 LYS 61 2HG LYS 61 -4.460 -13.608 -12.851 491 HG3 LYS 61 1HG LYS 61 -2.767 -13.957 -12.512 492 HD2 LYS 61 2HD LYS 61 -4.121 -14.260 -15.225 493 HD3 LYS 61 1HD LYS 61 -3.123 -12.889 -14.740 494 HE2 LYS 61 2HE LYS 61 -1.161 -14.360 -14.539 495 HE3 LYS 61 1HE LYS 61 -2.151 -15.766 -14.940 496 HZ1 LYS 61 3HZ LYS 61 -0.991 -15.081 -16.880 497 HZ2 LYS 61 1HZ LYS 61 -1.508 -13.477 -16.717 498 HZ3 LYS 61 2HZ LYS 61 -2.618 -14.689 -17.100 499 H GLN 62 H GLN 62 -4.079 -14.876 -9.064 500 HA GLN 62 HA GLN 62 -1.263 -15.562 -8.579 501 HB2 GLN 62 2HB GLN 62 -3.156 -13.732 -7.064 502 HB3 GLN 62 1HB GLN 62 -1.511 -14.002 -6.659 503 HG2 GLN 62 2HG GLN 62 -2.544 -12.601 -9.072 504 HG3 GLN 62 1HG GLN 62 -1.716 -11.878 -7.710 505 HE21 GLN 62 1HE2 GLN 62 -1.394 -13.775 -10.579 506 HE22 GLN 62 2HE2 GLN 62 0.301 -13.680 -10.693 507 H GLY 63 H GLY 63 -4.541 -16.225 -7.516 508 HA2 GLY 63 2HA GLY 63 -5.294 -17.775 -5.929 509 HA3 GLY 63 1HA GLY 63 -3.647 -18.009 -5.361 510 H GLU 64 H GLU 64 -4.687 -17.766 -3.211 511 HA GLU 64 HA GLU 64 -5.456 -15.008 -2.477 512 HB2 GLU 64 2HB GLU 64 -7.077 -16.766 -1.964 513 HB3 GLU 64 1HB GLU 64 -5.874 -17.645 -1.033 514 HG2 GLU 64 2HG GLU 64 -5.809 -15.806 0.612 515 HG3 GLU 64 1HG GLU 64 -6.994 -14.911 -0.343 516 H PHE 65 H PHE 65 -4.566 -13.986 -0.737 517 HA PHE 65 HA PHE 65 -1.821 -14.170 -0.249 518 HB2 PHE 65 2HB PHE 65 -2.575 -12.047 0.266 519 HB3 PHE 65 1HB PHE 65 -4.097 -12.610 0.911 520 HD1 PHE 65 2HD PHE 65 -0.465 -12.259 1.725 521 HD2 PHE 65 1HD PHE 65 -4.418 -12.777 3.298 522 HE1 PHE 65 2HE PHE 65 0.380 -11.947 3.991 523 HE2 PHE 65 1HE PHE 65 -3.539 -12.465 5.573 524 HZ PHE 65 HZ PHE 65 -1.144 -12.051 5.922 525 H LYS 66 H LYS 66 -0.636 -15.398 1.118 526 HA LYS 66 HA LYS 66 -1.960 -17.011 3.222 527 HB2 LYS 66 2HB LYS 66 0.327 -17.858 1.390 528 HB3 LYS 66 1HB LYS 66 -0.292 -18.818 2.736 529 HG2 LYS 66 2HG LYS 66 -1.808 -18.027 0.224 530 HG3 LYS 66 1HG LYS 66 -1.225 -19.644 0.637 531 HD2 LYS 66 2HD LYS 66 -2.800 -19.809 2.487 532 HD3 LYS 66 1HD LYS 66 -3.252 -18.111 2.321 533 HE2 LYS 66 2HE LYS 66 -4.182 -18.656 0.047 534 HE3 LYS 66 1HE LYS 66 -3.890 -20.366 0.397 535 HZ1 LYS 66 3HZ LYS 66 -6.134 -19.841 0.948 536 HZ2 LYS 66 1HZ LYS 66 -5.670 -18.513 1.881 537 HZ3 LYS 66 2HZ LYS 66 -5.301 -20.080 2.395 538 H GLU 67 H GLU 67 0.712 -14.923 2.406 539 HA GLU 67 HA GLU 67 1.460 -14.340 5.040 540 HB2 GLU 67 2HB GLU 67 3.743 -15.402 5.164 541 HB3 GLU 67 1HB GLU 67 2.424 -16.560 5.273 542 HG2 GLU 67 2HG GLU 67 2.768 -17.231 2.952 543 HG3 GLU 67 1HG GLU 67 4.016 -16.002 2.753 544 H PHE 68 H PHE 68 3.885 -13.347 4.990 545 HA PHE 68 HA PHE 68 4.137 -11.742 2.511 546 HB2 PHE 68 2HB PHE 68 4.746 -10.937 5.386 547 HB3 PHE 68 1HB PHE 68 5.034 -9.930 3.978 548 HD1 PHE 68 2HD PHE 68 2.691 -9.905 2.395 549 HD2 PHE 68 1HD PHE 68 2.926 -10.176 6.660 550 HE1 PHE 68 2HE PHE 68 0.436 -8.947 2.595 551 HE2 PHE 68 1HE PHE 68 0.677 -9.203 6.830 552 HZ PHE 68 HZ PHE 68 -0.568 -8.587 4.801 553 H GLY 69 H GLY 69 6.294 -11.081 1.918 554 HA2 GLY 69 2HA GLY 69 8.460 -12.901 2.764 555 HA3 GLY 69 1HA GLY 69 8.389 -11.984 1.285 556 H LYS 70 H LYS 70 9.510 -10.183 1.161 557 HA LYS 70 HA LYS 70 10.880 -9.064 3.506 558 HB2 LYS 70 2HB LYS 70 12.032 -9.691 1.290 559 HB3 LYS 70 1HB LYS 70 11.192 -8.335 0.558 560 HG2 LYS 70 2HG LYS 70 13.451 -7.657 1.095 561 HG3 LYS 70 1HG LYS 70 12.337 -6.797 2.164 562 HD2 LYS 70 2HD LYS 70 14.278 -7.591 3.441 563 HD3 LYS 70 1HD LYS 70 12.822 -8.431 3.981 564 HE2 LYS 70 2HE LYS 70 13.484 -10.365 2.481 565 HE3 LYS 70 1HE LYS 70 14.998 -9.520 2.154 566 HZ1 LYS 70 3HZ LYS 70 15.447 -9.578 4.550 567 HZ2 LYS 70 1HZ LYS 70 15.321 -11.117 3.866 568 HZ3 LYS 70 2HZ LYS 70 14.047 -10.494 4.785 569 H CYS 71 H CYS 71 10.825 -6.783 3.945 570 HA CYS 71 HA CYS 71 8.680 -5.214 2.648 571 HB2 CYS 71 2HB CYS 71 9.363 -4.956 5.552 572 HB3 CYS 71 1HB CYS 71 7.968 -4.330 4.715 573 HG CYS 71 HG CYS 71 7.510 -7.346 4.177 574 H THR 72 H THR 72 10.130 -4.221 1.365 575 HA THR 72 HA THR 72 12.424 -2.736 2.422 576 HB THR 72 HB THR 72 11.424 -3.044 -0.411 577 HG1 THR 72 1HG THR 72 13.336 -4.468 1.118 578 HG21 THR 72 3HG2 THR 72 13.676 -2.236 -1.091 579 HG22 THR 72 1HG2 THR 72 14.057 -1.925 0.603 580 HG23 THR 72 2HG2 THR 72 12.771 -1.009 -0.197 581 H TYR 73 H TYR 73 11.901 -0.816 3.250 582 HA TYR 73 HA TYR 73 9.437 0.516 2.683 583 HB2 TYR 73 2HB TYR 73 11.743 1.547 4.387 584 HB3 TYR 73 1HB TYR 73 10.135 2.196 4.311 585 HD1 TYR 73 2HD TYR 73 8.236 1.070 5.314 586 HD2 TYR 73 1HD TYR 73 12.172 -0.567 5.631 587 HE1 TYR 73 2HE TYR 73 7.470 -0.429 7.115 588 HE2 TYR 73 1HE TYR 73 11.401 -2.066 7.415 589 HH TYR 73 HH TYR 73 9.490 -1.977 9.161 590 H LEU 74 H LEU 74 9.091 2.388 1.696 591 HA LEU 74 HA LEU 74 11.090 3.485 -0.153 592 HB2 LEU 74 2HB LEU 74 8.099 4.063 0.056 593 HB3 LEU 74 1HB LEU 74 9.176 4.662 -1.190 594 HG LEU 74 HG LEU 74 7.853 2.959 -2.125 595 HD11 LEU 74 1HD1 LEU 74 10.226 2.953 -2.822 596 HD12 LEU 74 2HD1 LEU 74 9.465 1.370 -2.981 597 HD13 LEU 74 3HD1 LEU 74 10.551 1.689 -1.624 598 HD21 LEU 74 3HD2 LEU 74 7.640 0.690 -1.366 599 HD22 LEU 74 1HD2 LEU 74 7.082 1.822 -0.142 600 HD23 LEU 74 2HD2 LEU 74 8.656 1.041 0.034 601 H GLY 75 H GLY 75 11.037 5.868 -0.379 602 HA2 GLY 75 2HA GLY 75 9.797 7.439 1.725 603 HA3 GLY 75 1HA GLY 75 11.560 7.485 1.674 604 H GLN 76 H GLN 76 9.650 9.631 1.142 605 HA GLN 76 HA GLN 76 10.668 10.546 -1.393 606 HB2 GLN 76 2HB GLN 76 7.899 11.022 -1.825 607 HB3 GLN 76 1HB GLN 76 8.895 9.880 -2.703 608 HG2 GLN 76 2HG GLN 76 8.125 8.045 -1.388 609 HG3 GLN 76 1HG GLN 76 7.416 9.108 -0.181 610 HE21 GLN 76 1HE2 GLN 76 5.418 8.134 -0.331 611 HE22 GLN 76 2HE2 GLN 76 4.367 8.318 -1.685 612 H ILE 77 H ILE 77 11.067 12.698 -1.144 613 HA ILE 77 HA ILE 77 9.116 14.294 0.427 614 HB ILE 77 HB ILE 77 11.921 15.126 -0.447 615 HG12 ILE 77 2HG1 ILE 77 12.174 15.409 2.139 616 HG13 ILE 77 1HG1 ILE 77 10.729 14.426 2.274 617 HG21 ILE 77 1HG2 ILE 77 10.361 17.039 -0.589 618 HG22 ILE 77 2HG2 ILE 77 11.479 17.256 0.757 619 HG23 ILE 77 3HG2 ILE 77 9.821 16.738 1.064 620 HD11 ILE 77 3HD1 ILE 77 13.386 13.629 1.124 621 HD12 ILE 77 1HD1 ILE 77 11.936 12.620 1.061 622 HD13 ILE 77 2HD1 ILE 77 12.637 13.068 2.619 623 H LYS 78 H LYS 78 7.664 15.227 -0.732 624 HA LYS 78 HA LYS 78 7.952 15.490 -3.683 625 HB2 LYS 78 2HB LYS 78 6.426 13.700 -2.891 626 HB3 LYS 78 1HB LYS 78 5.544 14.868 -1.956 627 HG2 LYS 78 2HG LYS 78 5.278 15.960 -4.447 628 HG3 LYS 78 1HG LYS 78 5.376 14.248 -4.857 629 HD2 LYS 78 2HD LYS 78 3.058 14.682 -4.570 630 HD3 LYS 78 1HD LYS 78 3.556 13.861 -3.092 631 HE2 LYS 78 2HE LYS 78 2.259 15.634 -2.253 632 HE3 LYS 78 1HE LYS 78 3.893 16.318 -2.149 633 HZ1 LYS 78 3HZ LYS 78 3.462 17.350 -4.336 634 HZ2 LYS 78 1HZ LYS 78 2.458 17.917 -3.102 635 HZ3 LYS 78 2HZ LYS 78 1.851 16.833 -4.235 636 H ASP 79 H ASP 79 8.080 17.613 -4.142 637 HA ASP 79 HA ASP 79 7.855 19.834 -4.217 638 HB2 ASP 79 2HB ASP 79 5.218 19.397 -2.740 639 HB3 ASP 79 1HB ASP 79 5.731 20.934 -3.441 640 H ASN 80 H ASN 80 6.401 19.218 -0.974 641 HA ASN 80 HA ASN 80 8.679 20.446 0.388 642 HB2 ASN 80 2HB ASN 80 5.933 21.705 0.292 643 HB3 ASN 80 1HB ASN 80 6.990 22.001 1.653 644 HD21 ASN 80 1HD2 ASN 80 5.927 23.933 -0.199 645 HD22 ASN 80 2HD2 ASN 80 7.279 24.684 -0.968 646 H LYS 81 H LYS 81 6.514 18.102 0.162 647 HA LYS 81 HA LYS 81 5.795 17.828 3.010 648 HB2 LYS 81 2HB LYS 81 4.130 17.781 0.941 649 HB3 LYS 81 1HB LYS 81 4.695 16.162 0.758 650 HG2 LYS 81 2HG LYS 81 2.725 16.011 1.974 651 HG3 LYS 81 1HG LYS 81 4.038 15.777 3.099 652 HD2 LYS 81 2HD LYS 81 3.759 17.959 4.055 653 HD3 LYS 81 1HD LYS 81 2.659 18.444 2.756 654 HE2 LYS 81 2HE LYS 81 1.445 17.930 4.856 655 HE3 LYS 81 1HE LYS 81 0.975 16.855 3.541 656 HZ1 LYS 81 3HZ LYS 81 2.448 15.167 4.462 657 HZ2 LYS 81 1HZ LYS 81 1.285 15.644 5.587 658 HZ3 LYS 81 2HZ LYS 81 2.873 16.199 5.725 659 H LYS 82 H LYS 82 5.934 15.571 3.866 660 HA LYS 82 HA LYS 82 8.128 13.994 2.644 661 HB2 LYS 82 2HB LYS 82 7.661 14.509 5.598 662 HB3 LYS 82 1HB LYS 82 8.775 13.287 4.981 663 HG2 LYS 82 2HG LYS 82 9.933 15.192 3.724 664 HG3 LYS 82 1HG LYS 82 8.964 16.295 4.705 665 HD2 LYS 82 2HD LYS 82 9.976 15.336 6.761 666 HD3 LYS 82 1HD LYS 82 10.934 14.229 5.770 667 HE2 LYS 82 2HE LYS 82 12.079 16.154 4.731 668 HE3 LYS 82 1HE LYS 82 11.114 17.259 5.716 669 HZ1 LYS 82 3HZ LYS 82 13.341 16.868 6.605 670 HZ2 LYS 82 1HZ LYS 82 12.987 15.226 6.791 671 HZ3 LYS 82 2HZ LYS 82 12.135 16.386 7.681 672 H TYR 83 H TYR 83 7.957 11.836 2.675 673 HA TYR 83 HA TYR 83 5.426 10.546 3.443 674 HB2 TYR 83 2HB TYR 83 6.655 10.616 0.659 675 HB3 TYR 83 1HB TYR 83 5.253 9.659 1.110 676 HD1 TYR 83 1HD TYR 83 3.224 10.918 1.972 677 HD2 TYR 83 2HD TYR 83 6.341 12.906 -0.072 678 HE1 TYR 83 1HE TYR 83 1.718 12.718 1.476 679 HE2 TYR 83 2HE TYR 83 4.787 14.713 -0.650 680 HH TYR 83 HH TYR 83 1.706 15.001 0.851 681 H GLY 84 H GLY 84 5.532 8.201 3.497 682 HA2 GLY 84 2HA GLY 84 8.178 6.926 3.134 683 HA3 GLY 84 1HA GLY 84 7.393 6.841 4.713 684 H GLY 85 H GLY 85 8.009 4.784 2.518 685 HA2 GLY 85 2HA GLY 85 5.281 3.652 2.195 686 HA3 GLY 85 1HA GLY 85 6.513 3.572 0.952 687 H VAL 86 H VAL 86 5.554 1.259 1.423 688 HA VAL 86 HA VAL 86 7.855 -0.185 2.409 689 HB VAL 86 HB VAL 86 6.665 -0.137 4.487 690 HG11 VAL 86 1HG1 VAL 86 4.445 0.506 3.684 691 HG12 VAL 86 2HG1 VAL 86 4.332 -0.879 4.774 692 HG13 VAL 86 3HG1 VAL 86 4.190 -1.114 3.028 693 HG21 VAL 86 3HG2 VAL 86 6.250 -2.520 4.957 694 HG22 VAL 86 1HG2 VAL 86 7.691 -2.318 3.953 695 HG23 VAL 86 2HG2 VAL 86 6.177 -2.865 3.227 696 H ILE 87 H ILE 87 8.307 -1.656 0.912 697 HA ILE 87 HA ILE 87 6.271 -2.755 -0.906 698 HB ILE 87 HB ILE 87 9.323 -2.917 -1.030 699 HG12 ILE 87 2HG1 ILE 87 7.387 -1.742 -3.054 700 HG13 ILE 87 1HG1 ILE 87 8.172 -0.783 -1.832 701 HG21 ILE 87 1HG2 ILE 87 9.078 -4.199 -3.145 702 HG22 ILE 87 2HG2 ILE 87 7.328 -4.240 -2.920 703 HG23 ILE 87 3HG2 ILE 87 8.384 -5.085 -1.785 704 HD11 ILE 87 3HD1 ILE 87 9.302 -0.553 -3.952 705 HD12 ILE 87 1HD1 ILE 87 9.528 -2.299 -4.062 706 HD13 ILE 87 2HD1 ILE 87 10.362 -1.376 -2.809 707 H ILE 88 H ILE 88 5.249 -4.100 0.505 708 HA ILE 88 HA ILE 88 6.843 -6.185 1.840 709 HB ILE 88 HB ILE 88 5.653 -4.931 3.474 710 HG12 ILE 88 2HG1 ILE 88 4.021 -7.467 3.073 711 HG13 ILE 88 1HG1 ILE 88 5.685 -7.462 3.654 712 HG21 ILE 88 1HG2 ILE 88 3.204 -4.581 3.511 713 HG22 ILE 88 2HG2 ILE 88 3.076 -5.328 1.916 714 HG23 ILE 88 3HG2 ILE 88 3.959 -3.811 2.110 715 HD11 ILE 88 3HD1 ILE 88 4.143 -7.662 5.487 716 HD12 ILE 88 1HD1 ILE 88 3.329 -6.173 5.011 717 HD13 ILE 88 2HD1 ILE 88 4.999 -6.124 5.584 718 H VAL 89 H VAL 89 7.032 -7.763 0.431 719 HA VAL 89 HA VAL 89 5.193 -8.320 -1.636 720 HB VAL 89 HB VAL 89 7.531 -8.911 -1.971 721 HG11 VAL 89 1HG1 VAL 89 8.630 -10.705 -0.895 722 HG12 VAL 89 2HG1 VAL 89 7.214 -10.934 0.134 723 HG13 VAL 89 3HG1 VAL 89 8.140 -9.435 0.229 724 HG21 VAL 89 3HG2 VAL 89 5.908 -11.470 -1.971 725 HG22 VAL 89 1HG2 VAL 89 7.327 -11.129 -2.970 726 HG23 VAL 89 2HG2 VAL 89 5.824 -10.241 -3.245 727 H VAL 90 H VAL 90 3.579 -9.579 -1.796 728 HA VAL 90 HA VAL 90 2.716 -11.175 0.493 729 HB VAL 90 HB VAL 90 1.208 -10.093 -1.937 730 HG11 VAL 90 1HG1 VAL 90 0.243 -11.846 0.336 731 HG12 VAL 90 2HG1 VAL 90 0.368 -12.312 -1.365 732 HG13 VAL 90 3HG1 VAL 90 -0.787 -11.074 -0.874 733 HG21 VAL 90 3HG2 VAL 90 -0.022 -8.836 -0.227 734 HG22 VAL 90 1HG2 VAL 90 1.709 -8.490 -0.099 735 HG23 VAL 90 2HG2 VAL 90 0.940 -9.613 1.047 736 H LYS 91 H LYS 91 3.038 -13.187 0.425 737 HA LYS 91 HA LYS 91 3.465 -14.720 -2.044 738 HB2 LYS 91 2HB LYS 91 3.512 -15.697 0.842 739 HB3 LYS 91 1HB LYS 91 4.071 -16.575 -0.582 740 HG2 LYS 91 2HG LYS 91 5.903 -14.935 -0.868 741 HG3 LYS 91 1HG LYS 91 5.330 -14.051 0.557 742 HD2 LYS 91 2HD LYS 91 5.664 -16.180 1.890 743 HD3 LYS 91 1HD LYS 91 6.426 -16.890 0.466 744 HE2 LYS 91 2HE LYS 91 8.221 -15.261 0.573 745 HE3 LYS 91 1HE LYS 91 7.403 -14.397 1.881 746 HZ1 LYS 91 3HZ LYS 91 8.467 -17.160 2.010 747 HZ2 LYS 91 1HZ LYS 91 7.611 -16.387 3.246 748 HZ3 LYS 91 2HZ LYS 91 9.120 -15.796 2.764 749 H TYR 92 H TYR 92 1.518 -14.799 -2.973 750 HA TYR 92 HA TYR 92 -0.904 -15.631 -1.687 751 HB2 TYR 92 2HB TYR 92 -0.192 -15.671 -4.657 752 HB3 TYR 92 1HB TYR 92 -1.807 -15.826 -3.983 753 HD1 TYR 92 2HD TYR 92 -2.633 -13.827 -2.498 754 HD2 TYR 92 1HD TYR 92 0.542 -13.528 -5.308 755 HE1 TYR 92 2HE TYR 92 -2.912 -11.409 -2.545 756 HE2 TYR 92 1HE TYR 92 0.264 -11.114 -5.372 757 HH TYR 92 HH TYR 92 -1.561 -9.491 -4.962 758 H GLU 93 H GLU 93 -2.029 -17.550 -2.893 759 HA GLU 93 HA GLU 93 -0.966 -19.979 -2.091 760 HB2 GLU 93 2HB GLU 93 -3.414 -19.148 -2.769 761 HB3 GLU 93 1HB GLU 93 -2.989 -19.795 -4.346 762 HG2 GLU 93 2HG GLU 93 -3.022 -21.352 -1.746 763 HG3 GLU 93 1HG GLU 93 -4.316 -21.348 -2.938 764 H GLU 94 H GLU 94 -0.783 -18.334 -5.238 765 HA GLU 94 HA GLU 94 0.958 -20.491 -6.340 766 HB2 GLU 94 2HB GLU 94 -0.761 -18.642 -8.033 767 HB3 GLU 94 1HB GLU 94 0.002 -20.159 -8.508 768 HG2 GLU 94 2HG GLU 94 -1.605 -21.416 -7.140 769 HG3 GLU 94 1HG GLU 94 -2.313 -19.913 -6.551 770 H GLY 95 H GLY 95 0.334 -16.991 -6.168 771 HA2 GLY 95 2HA GLY 95 2.745 -16.378 -7.802 772 HA3 GLY 95 1HA GLY 95 1.265 -15.437 -7.815 773 H ASN 96 H ASN 96 3.455 -14.020 -7.397 774 HA ASN 96 HA ASN 96 3.097 -13.127 -4.600 775 HB2 ASN 96 2HB ASN 96 5.782 -13.047 -6.032 776 HB3 ASN 96 1HB ASN 96 5.462 -12.426 -4.436 777 HD21 ASN 96 1HD2 ASN 96 3.879 -14.745 -3.634 778 HD22 ASN 96 2HD2 ASN 96 5.019 -15.997 -3.403 779 H VAL 97 H VAL 97 2.547 -11.053 -4.500 780 HA VAL 97 HA VAL 97 3.622 -9.179 -6.500 781 HB VAL 97 HB VAL 97 0.749 -9.009 -5.418 782 HG11 VAL 97 1HG1 VAL 97 0.520 -7.058 -6.950 783 HG12 VAL 97 2HG1 VAL 97 2.233 -7.194 -7.360 784 HG13 VAL 97 3HG1 VAL 97 1.748 -6.788 -5.712 785 HG21 VAL 97 3HG2 VAL 97 -0.010 -9.355 -7.746 786 HG22 VAL 97 1HG2 VAL 97 0.909 -10.745 -7.158 787 HG23 VAL 97 2HG2 VAL 97 1.663 -9.591 -8.262 788 H ASN 98 H ASN 98 4.415 -7.421 -5.657 789 HA ASN 98 HA ASN 98 4.878 -7.528 -2.761 790 HB2 ASN 98 2HB ASN 98 6.559 -5.928 -4.742 791 HB3 ASN 98 1HB ASN 98 7.049 -6.651 -3.221 792 HD21 ASN 98 1HD2 ASN 98 8.682 -7.911 -3.843 793 HD22 ASN 98 2HD2 ASN 98 8.638 -9.134 -5.048 794 H TYR 99 H TYR 99 3.073 -6.319 -2.064 795 HA TYR 99 HA TYR 99 2.074 -3.992 -3.351 796 HB2 TYR 99 2HB TYR 99 1.648 -5.214 -0.616 797 HB3 TYR 99 1HB TYR 99 0.965 -3.640 -0.993 798 HD1 TYR 99 1HD TYR 99 0.732 -7.255 -1.696 799 HD2 TYR 99 2HD TYR 99 -0.857 -3.403 -2.553 800 HE1 TYR 99 1HE TYR 99 -1.292 -8.287 -2.602 801 HE2 TYR 99 2HE TYR 99 -2.889 -4.440 -3.476 802 HH TYR 99 HH TYR 99 -3.626 -6.560 -4.408 803 H SER 100 H SER 100 2.690 -1.887 -3.223 804 HA SER 100 HA SER 100 4.767 -1.042 -1.305 805 HB2 SER 100 2HB SER 100 5.587 -1.132 -3.663 806 HB3 SER 100 1HB SER 100 4.317 -0.022 -4.134 807 HG SER 100 HG SER 100 5.632 1.498 -3.588 808 H LEU 101 H LEU 101 3.432 -0.195 0.197 809 HA LEU 101 HA LEU 101 1.395 1.784 -0.594 810 HB2 LEU 101 2HB LEU 101 1.692 0.157 1.948 811 HB3 LEU 101 1HB LEU 101 0.445 1.352 1.687 812 HG LEU 101 HG LEU 101 0.113 -0.192 -0.572 813 HD11 LEU 101 1HD1 LEU 101 0.815 -2.130 1.578 814 HD12 LEU 101 2HD1 LEU 101 1.814 -1.733 0.173 815 HD13 LEU 101 3HD1 LEU 101 0.228 -2.475 -0.054 816 HD21 LEU 101 3HD2 LEU 101 -1.268 -0.761 2.040 817 HD22 LEU 101 1HD2 LEU 101 -1.776 -1.280 0.421 818 HD23 LEU 101 2HD2 LEU 101 -1.740 0.443 0.834 819 H ALA 102 H ALA 102 1.898 3.743 -0.375 820 HA ALA 102 HA ALA 102 3.879 4.707 1.596 821 HB1 ALA 102 1HB ALA 102 3.438 5.743 -1.228 822 HB2 ALA 102 2HB ALA 102 4.814 4.774 -0.699 823 HB3 ALA 102 3HB ALA 102 4.582 6.404 -0.056 824 H TYR 103 H TYR 103 3.528 6.683 2.466 825 HA TYR 103 HA TYR 103 0.745 7.552 2.635 826 HB2 TYR 103 2HB TYR 103 2.420 7.061 5.141 827 HB3 TYR 103 1HB TYR 103 0.713 7.257 4.976 828 HD1 TYR 103 2HD TYR 103 3.457 4.877 4.259 829 HD2 TYR 103 1HD TYR 103 -0.732 5.363 4.920 830 HE1 TYR 103 2HE TYR 103 3.153 2.419 4.344 831 HE2 TYR 103 1HE TYR 103 -1.013 2.931 5.049 832 HH TYR 103 HH TYR 103 0.069 0.952 4.313 833 H ASP 104 H ASP 104 0.629 9.661 3.868 834 HA ASP 104 HA ASP 104 2.944 11.365 3.694 835 HB2 ASP 104 2HB ASP 104 0.548 11.952 5.481 836 HB3 ASP 104 1HB ASP 104 1.678 13.067 4.742 837 H GLU 105 H GLU 105 3.179 12.636 6.121 838 HA GLU 105 HA GLU 105 4.687 10.874 7.763 839 HB2 GLU 105 2HB GLU 105 3.616 13.646 8.393 840 HB3 GLU 105 1HB GLU 105 4.888 12.814 9.281 841 HG2 GLU 105 2HG GLU 105 6.477 13.419 7.809 842 HG3 GLU 105 1HG GLU 105 5.509 12.945 6.425 843 H ASP 106 H ASP 106 1.332 11.437 7.554 844 HA ASP 106 HA ASP 106 0.668 10.589 10.252 845 HB2 ASP 106 2HB ASP 106 -1.251 10.766 7.879 846 HB3 ASP 106 1HB ASP 106 -1.654 10.778 9.594 847 H MET 107 H MET 107 -0.998 9.131 7.542 848 HA MET 107 HA MET 107 0.041 6.497 7.621 849 HB2 MET 107 2HB MET 107 -2.506 7.034 9.227 850 HB3 MET 107 1HB MET 107 -2.036 5.437 8.674 851 HG2 MET 107 2HG MET 107 -0.156 6.963 10.440 852 HG3 MET 107 1HG MET 107 -1.568 6.201 11.138 853 HE1 MET 107 3HE MET 107 0.740 4.737 8.122 854 HE2 MET 107 1HE MET 107 1.878 3.821 9.104 855 HE3 MET 107 2HE MET 107 1.852 5.584 9.204 856 H ASN 108 H ASN 108 -1.002 8.727 5.882 857 HA ASN 108 HA ASN 108 -3.568 7.725 4.888 858 HB2 ASN 108 2HB ASN 108 -2.298 10.375 4.167 859 HB3 ASN 108 1HB ASN 108 -3.991 9.920 4.033 860 HD21 ASN 108 1HD2 ASN 108 -2.685 12.186 5.376 861 HD22 ASN 108 2HD2 ASN 108 -3.214 12.130 7.018 862 H LEU 109 H LEU 109 -3.270 6.245 3.242 863 HA LEU 109 HA LEU 109 -1.126 5.984 1.533 864 HB2 LEU 109 2HB LEU 109 -4.040 5.280 1.182 865 HB3 LEU 109 1HB LEU 109 -2.951 5.093 -0.175 866 HG LEU 109 HG LEU 109 -3.231 2.973 0.849 867 HD11 LEU 109 1HD1 LEU 109 -0.996 3.454 0.012 868 HD12 LEU 109 2HD1 LEU 109 -0.954 2.325 1.362 869 HD13 LEU 109 3HD1 LEU 109 -0.499 4.016 1.614 870 HD21 LEU 109 3HD2 LEU 109 -4.017 3.554 3.033 871 HD22 LEU 109 1HD2 LEU 109 -2.433 4.198 3.493 872 HD23 LEU 109 2HD2 LEU 109 -2.635 2.466 3.184 873 H VAL 110 H VAL 110 -0.257 7.427 0.474 874 HA VAL 110 HA VAL 110 -1.671 9.559 -0.953 875 HB VAL 110 HB VAL 110 0.291 9.721 0.922 876 HG11 VAL 110 1HG1 VAL 110 1.944 9.615 -1.618 877 HG12 VAL 110 2HG1 VAL 110 1.968 8.429 -0.314 878 HG13 VAL 110 3HG1 VAL 110 2.524 10.073 -0.017 879 HG21 VAL 110 3HG2 VAL 110 0.632 11.959 0.364 880 HG22 VAL 110 1HG2 VAL 110 -0.981 11.573 -0.223 881 HG23 VAL 110 2HG2 VAL 110 0.360 11.677 -1.368 882 H SER 111 H SER 111 0.253 6.733 -1.234 883 HA SER 111 HA SER 111 -0.009 6.629 -4.119 884 HB2 SER 111 2HB SER 111 2.702 6.314 -2.730 885 HB3 SER 111 1HB SER 111 2.392 6.012 -4.443 886 HG SER 111 HG SER 111 1.579 8.353 -4.292 887 H PHE 112 H PHE 112 -0.596 4.578 -4.618 888 HA PHE 112 HA PHE 112 0.257 2.311 -2.940 889 HB2 PHE 112 2HB PHE 112 -1.989 2.590 -2.160 890 HB3 PHE 112 1HB PHE 112 -2.596 3.010 -3.752 891 HD1 PHE 112 2HD PHE 112 -1.566 0.181 -1.554 892 HD2 PHE 112 1HD PHE 112 -3.232 1.248 -5.363 893 HE1 PHE 112 2HE PHE 112 -2.307 -2.132 -1.905 894 HE2 PHE 112 1HE PHE 112 -3.945 -1.082 -5.695 895 HZ PHE 112 HZ PHE 112 -3.483 -2.771 -3.970 896 H THR 113 H THR 113 1.170 0.794 -4.185 897 HA THR 113 HA THR 113 0.194 0.346 -6.937 898 HB THR 113 HB THR 113 2.507 -0.113 -7.746 899 HG1 THR 113 1HG THR 113 4.283 0.413 -6.441 900 HG21 THR 113 3HG2 THR 113 1.653 2.170 -8.099 901 HG22 THR 113 1HG2 THR 113 3.401 2.162 -7.843 902 HG23 THR 113 2HG2 THR 113 2.322 2.657 -6.537 903 H MET 114 H MET 114 0.455 -1.792 -7.648 904 HA MET 114 HA MET 114 1.845 -3.711 -5.998 905 HB2 MET 114 2HB MET 114 -0.036 -5.377 -6.274 906 HB3 MET 114 1HB MET 114 -0.318 -4.087 -5.126 907 HG2 MET 114 2HG MET 114 -1.852 -3.021 -6.556 908 HG3 MET 114 1HG MET 114 -1.396 -4.009 -7.943 909 HE1 MET 114 3HE MET 114 -1.203 -6.912 -6.966 910 HE2 MET 114 1HE MET 114 -2.146 -6.431 -8.379 911 HE3 MET 114 2HE MET 114 -2.865 -7.474 -7.149 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 10.953 19.508 -2.673 2 H2 GLY 1 2HT GLY 1 11.243 18.701 -4.127 3 H3 GLY 1 3HT GLY 1 12.533 19.114 -3.122 4 HA2 GLY 1 1HA GLY 1 11.758 17.610 -1.424 5 HA3 GLY 1 2HA GLY 1 10.375 17.206 -2.432 6 H GLU 2 H GLU 2 12.636 15.552 -1.345 7 HA GLU 2 HA GLU 2 13.611 14.378 -3.890 8 HB2 GLU 2 2HB GLU 2 15.491 13.388 -2.494 9 HB3 GLU 2 1HB GLU 2 15.572 15.125 -2.736 10 HG2 GLU 2 2HG GLU 2 14.419 13.928 -0.208 11 HG3 GLU 2 1HG GLU 2 16.149 14.163 -0.414 12 H ILE 3 H ILE 3 13.759 12.072 -3.969 13 HA ILE 3 HA ILE 3 11.791 10.675 -2.252 14 HB ILE 3 HB ILE 3 12.953 9.761 -4.937 15 HG12 ILE 3 2HG1 ILE 3 11.728 11.876 -5.313 16 HG13 ILE 3 1HG1 ILE 3 10.882 10.527 -6.045 17 HG21 ILE 3 1HG2 ILE 3 11.020 8.219 -5.019 18 HG22 ILE 3 2HG2 ILE 3 10.498 8.796 -3.436 19 HG23 ILE 3 3HG2 ILE 3 12.027 7.931 -3.595 20 HD11 ILE 3 3HD1 ILE 3 9.358 12.101 -5.037 21 HD12 ILE 3 1HD1 ILE 3 10.132 11.902 -3.466 22 HD13 ILE 3 2HD1 ILE 3 9.266 10.549 -4.207 23 H LEU 4 H LEU 4 12.837 9.586 -0.608 24 HA LEU 4 HA LEU 4 15.613 8.870 -0.819 25 HB2 LEU 4 2HB LEU 4 13.817 8.219 1.515 26 HB3 LEU 4 1HB LEU 4 15.564 8.362 1.493 27 HG LEU 4 HG LEU 4 14.862 10.877 0.687 28 HD11 LEU 4 1HD1 LEU 4 13.044 11.671 2.082 29 HD12 LEU 4 2HD1 LEU 4 12.646 9.989 2.446 30 HD13 LEU 4 3HD1 LEU 4 12.582 10.578 0.782 31 HD21 LEU 4 3HD2 LEU 4 16.431 10.360 2.523 32 HD22 LEU 4 1HD2 LEU 4 15.061 10.004 3.580 33 HD23 LEU 4 2HD2 LEU 4 15.308 11.642 2.970 34 H LYS 5 H LYS 5 16.285 6.755 0.189 35 HA LYS 5 HA LYS 5 15.118 4.517 -1.291 36 HB2 LYS 5 2HB LYS 5 17.728 4.817 0.210 37 HB3 LYS 5 1HB LYS 5 17.297 3.483 -0.831 38 HG2 LYS 5 2HG LYS 5 17.577 4.724 -2.798 39 HG3 LYS 5 1HG LYS 5 17.345 6.268 -1.973 40 HD2 LYS 5 2HD LYS 5 19.697 5.963 -2.642 41 HD3 LYS 5 1HD LYS 5 19.523 6.061 -0.888 42 HE2 LYS 5 2HE LYS 5 19.713 3.585 -0.745 43 HE3 LYS 5 1HE LYS 5 19.904 3.505 -2.499 44 HZ1 LYS 5 3HZ LYS 5 22.017 3.402 -1.288 45 HZ2 LYS 5 1HZ LYS 5 21.742 4.944 -0.663 46 HZ3 LYS 5 2HZ LYS 5 21.948 4.733 -2.325 47 H GLU 6 H GLU 6 14.657 5.782 1.705 48 HA GLU 6 HA GLU 6 13.691 3.382 2.942 49 HB2 GLU 6 2HB GLU 6 15.175 3.329 4.878 50 HB3 GLU 6 1HB GLU 6 16.148 3.166 3.418 51 HG2 GLU 6 2HG GLU 6 16.875 5.477 3.564 52 HG3 GLU 6 1HG GLU 6 15.757 5.796 4.903 53 H LEU 7 H LEU 7 13.466 4.134 5.534 54 HA LEU 7 HA LEU 7 11.610 6.379 5.414 55 HB2 LEU 7 2HB LEU 7 12.218 4.364 7.604 56 HB3 LEU 7 1HB LEU 7 10.938 5.580 7.685 57 HG LEU 7 HG LEU 7 11.126 3.226 5.786 58 HD11 LEU 7 1HD1 LEU 7 9.139 2.419 6.885 59 HD12 LEU 7 2HD1 LEU 7 9.164 3.797 7.991 60 HD13 LEU 7 3HD1 LEU 7 10.470 2.609 8.016 61 HD21 LEU 7 3HD2 LEU 7 10.130 5.145 4.615 62 HD22 LEU 7 1HD2 LEU 7 8.946 5.337 5.913 63 HD23 LEU 7 2HD2 LEU 7 8.939 3.883 4.904 64 HA PRO 8 HA PRO 8 14.594 9.012 7.773 65 HB2 PRO 8 2HB PRO 8 13.552 11.388 6.942 66 HB3 PRO 8 1HB PRO 8 14.642 10.450 5.893 67 HG2 PRO 8 2HG PRO 8 11.627 10.541 5.853 68 HG3 PRO 8 1HG PRO 8 12.770 10.710 4.496 69 HD2 PRO 8 2HD PRO 8 11.574 8.324 5.040 70 HD3 PRO 8 1HD PRO 8 13.218 8.418 4.400 71 H GLU 9 H GLU 9 13.577 11.250 8.934 72 HA GLU 9 HA GLU 9 12.120 10.461 11.157 73 HB2 GLU 9 2HB GLU 9 11.840 12.913 11.591 74 HB3 GLU 9 1HB GLU 9 13.491 12.461 11.174 75 HG2 GLU 9 2HG GLU 9 13.122 13.262 8.856 76 HG3 GLU 9 1HG GLU 9 11.477 13.730 9.284 77 H GLY 10 H GLY 10 10.012 10.697 11.843 78 HA2 GLY 10 2HA GLY 10 7.750 11.444 11.688 79 HA3 GLY 10 1HA GLY 10 7.917 11.552 9.945 80 H PHE 11 H PHE 11 9.345 8.789 10.168 81 HA PHE 11 HA PHE 11 6.863 7.135 10.191 82 HB2 PHE 11 2HB PHE 11 9.185 6.443 8.382 83 HB3 PHE 11 1HB PHE 11 7.496 6.080 8.166 84 HD1 PHE 11 2HD PHE 11 5.958 8.300 7.914 85 HD2 PHE 11 1HD PHE 11 10.106 7.998 6.998 86 HE1 PHE 11 2HE PHE 11 5.781 10.263 6.465 87 HE2 PHE 11 1HE PHE 11 9.919 9.969 5.557 88 HZ PHE 11 HZ PHE 11 7.769 11.083 5.295 89 H ASP 12 H ASP 12 8.031 4.607 9.901 90 HA ASP 12 HA ASP 12 10.305 4.229 11.595 91 HB2 ASP 12 2HB ASP 12 8.501 4.739 13.297 92 HB3 ASP 12 1HB ASP 12 7.620 3.336 12.730 93 H LYS 13 H LYS 13 11.216 2.293 11.244 94 HA LYS 13 HA LYS 13 10.363 0.906 8.946 95 HB2 LYS 13 2HB LYS 13 12.820 1.492 10.352 96 HB3 LYS 13 1HB LYS 13 12.749 -0.228 10.091 97 HG2 LYS 13 2HG LYS 13 12.533 0.061 7.722 98 HG3 LYS 13 1HG LYS 13 12.286 1.795 7.909 99 HD2 LYS 13 2HD LYS 13 14.873 0.426 8.729 100 HD3 LYS 13 1HD LYS 13 14.611 1.021 7.083 101 HE2 LYS 13 2HE LYS 13 14.364 3.263 7.842 102 HE3 LYS 13 1HE LYS 13 14.265 2.753 9.530 103 HZ1 LYS 13 3HZ LYS 13 16.609 2.014 9.333 104 HZ2 LYS 13 1HZ LYS 13 16.419 3.677 9.099 105 HZ3 LYS 13 2HZ LYS 13 16.666 2.664 7.771 106 H GLU 14 H GLU 14 9.588 0.239 12.178 107 HA GLU 14 HA GLU 14 8.811 -2.500 11.286 108 HB2 GLU 14 2HB GLU 14 8.429 -3.152 13.579 109 HB3 GLU 14 1HB GLU 14 10.030 -2.439 13.470 110 HG2 GLU 14 2HG GLU 14 9.149 -0.356 14.455 111 HG3 GLU 14 1HG GLU 14 7.560 -1.090 14.587 112 H THR 15 H THR 15 7.542 0.575 12.579 113 HA THR 15 HA THR 15 4.842 -0.177 12.897 114 HB THR 15 HB THR 15 6.012 2.602 12.368 115 HG1 THR 15 1HG THR 15 6.244 0.934 14.461 116 HG21 THR 15 3HG2 THR 15 3.544 2.597 12.072 117 HG22 THR 15 1HG2 THR 15 4.008 3.476 13.530 118 HG23 THR 15 2HG2 THR 15 3.351 1.844 13.657 119 H VAL 16 H VAL 16 6.535 1.202 10.118 120 HA VAL 16 HA VAL 16 4.238 1.785 8.555 121 HB VAL 16 HB VAL 16 7.212 1.743 7.920 122 HG11 VAL 16 1HG1 VAL 16 4.995 2.517 5.993 123 HG12 VAL 16 2HG1 VAL 16 6.148 1.193 5.794 124 HG13 VAL 16 3HG1 VAL 16 6.712 2.864 5.748 125 HG21 VAL 16 3HG2 VAL 16 5.212 4.027 8.158 126 HG22 VAL 16 1HG2 VAL 16 6.932 4.205 7.793 127 HG23 VAL 16 2HG2 VAL 16 6.423 3.582 9.365 128 H ARG 17 H ARG 17 6.365 -1.004 8.803 129 HA ARG 17 HA ARG 17 5.447 -2.423 6.517 130 HB2 ARG 17 2HB ARG 17 7.561 -2.837 7.874 131 HB3 ARG 17 1HB ARG 17 6.552 -3.661 9.056 132 HG2 ARG 17 2HG ARG 17 6.448 -4.506 6.159 133 HG3 ARG 17 1HG ARG 17 7.807 -4.985 7.149 134 HD2 ARG 17 2HD ARG 17 6.283 -6.122 8.716 135 HD3 ARG 17 1HD ARG 17 4.899 -5.613 7.744 136 HE ARG 17 HE ARG 17 6.533 -6.952 5.989 137 HH11 ARG 17 1HH1 ARG 17 4.952 -7.875 9.004 138 HH12 ARG 17 2HH1 ARG 17 4.816 -9.538 8.553 139 HH21 ARG 17 1HH2 ARG 17 6.339 -9.133 5.421 140 HH22 ARG 17 2HH2 ARG 17 5.604 -10.253 6.520 141 H LYS 18 H LYS 18 4.605 -2.541 9.976 142 HA LYS 18 HA LYS 18 2.704 -4.533 9.996 143 HB2 LYS 18 2HB LYS 18 3.134 -2.123 11.740 144 HB3 LYS 18 1HB LYS 18 2.039 -3.409 12.139 145 HG2 LYS 18 2HG LYS 18 3.862 -5.015 12.257 146 HG3 LYS 18 1HG LYS 18 5.000 -3.780 11.704 147 HD2 LYS 18 2HD LYS 18 4.548 -2.464 13.768 148 HD3 LYS 18 1HD LYS 18 3.452 -3.733 14.327 149 HE2 LYS 18 2HE LYS 18 5.320 -5.326 14.402 150 HE3 LYS 18 1HE LYS 18 6.418 -4.094 13.777 151 HZ1 LYS 18 3HZ LYS 18 6.591 -4.358 16.172 152 HZ2 LYS 18 1HZ LYS 18 4.966 -3.932 16.355 153 HZ3 LYS 18 2HZ LYS 18 6.075 -2.802 15.763 154 H GLN 19 H GLN 19 2.322 -1.044 9.774 155 HA GLN 19 HA GLN 19 -0.477 -0.892 9.742 156 HB2 GLN 19 2HB GLN 19 0.954 1.045 10.206 157 HB3 GLN 19 1HB GLN 19 1.608 0.990 8.576 158 HG2 GLN 19 2HG GLN 19 -0.021 2.794 8.793 159 HG3 GLN 19 1HG GLN 19 -0.595 1.585 7.652 160 HE21 GLN 19 1HE2 GLN 19 -2.404 0.362 8.159 161 HE22 GLN 19 2HE2 GLN 19 -3.423 0.724 9.508 162 H ALA 20 H ALA 20 1.846 -1.430 7.112 163 HA ALA 20 HA ALA 20 0.083 -0.779 4.966 164 HB1 ALA 20 1HB ALA 20 2.533 -0.647 4.726 165 HB2 ALA 20 2HB ALA 20 1.826 -1.730 3.529 166 HB3 ALA 20 3HB ALA 20 2.656 -2.395 4.945 167 H MET 21 H MET 21 1.046 -3.630 6.766 168 HA MET 21 HA MET 21 -0.003 -5.659 5.235 169 HB2 MET 21 2HB MET 21 0.140 -5.505 8.266 170 HB3 MET 21 1HB MET 21 -0.153 -6.980 7.360 171 HG2 MET 21 2HG MET 21 2.120 -6.590 6.272 172 HG3 MET 21 1HG MET 21 2.389 -5.375 7.523 173 HE1 MET 21 3HE MET 21 1.868 -7.793 10.726 174 HE2 MET 21 1HE MET 21 0.548 -7.031 9.847 175 HE3 MET 21 2HE MET 21 1.994 -6.101 10.241 176 H GLU 22 H GLU 22 -1.514 -3.668 7.709 177 HA GLU 22 HA GLU 22 -4.014 -4.947 7.896 178 HB2 GLU 22 2HB GLU 22 -3.531 -1.970 8.357 179 HB3 GLU 22 1HB GLU 22 -4.755 -2.986 9.112 180 HG2 GLU 22 2HG GLU 22 -1.759 -3.057 9.608 181 HG3 GLU 22 1HG GLU 22 -2.988 -2.426 10.696 182 H ASP 23 H ASP 23 -2.888 -2.176 5.944 183 HA ASP 23 HA ASP 23 -5.433 -1.546 4.794 184 HB2 ASP 23 2HB ASP 23 -2.618 -0.685 4.021 185 HB3 ASP 23 1HB ASP 23 -4.083 -0.005 3.313 186 H ILE 24 H ILE 24 -2.870 -3.737 3.825 187 HA ILE 24 HA ILE 24 -3.646 -4.177 1.103 188 HB ILE 24 HB ILE 24 -2.208 -5.978 3.113 189 HG12 ILE 24 2HG1 ILE 24 -1.154 -4.285 0.788 190 HG13 ILE 24 1HG1 ILE 24 -1.012 -3.908 2.494 191 HG21 ILE 24 1HG2 ILE 24 -1.497 -7.393 1.189 192 HG22 ILE 24 2HG2 ILE 24 -2.575 -6.481 0.133 193 HG23 ILE 24 3HG2 ILE 24 -3.240 -7.447 1.448 194 HD11 ILE 24 3HD1 ILE 24 0.426 -5.854 2.828 195 HD12 ILE 24 1HD1 ILE 24 1.070 -4.738 1.625 196 HD13 ILE 24 2HD1 ILE 24 0.298 -6.233 1.109 197 H GLU 25 H GLU 25 -4.665 -5.548 4.218 198 HA GLU 25 HA GLU 25 -6.381 -7.545 3.102 199 HB2 GLU 25 2HB GLU 25 -6.079 -6.513 5.925 200 HB3 GLU 25 1HB GLU 25 -7.166 -7.835 5.481 201 HG2 GLU 25 2HG GLU 25 -5.265 -9.149 4.654 202 HG3 GLU 25 1HG GLU 25 -4.157 -7.833 5.067 203 H ILE 26 H ILE 26 -6.738 -4.245 3.505 204 HA ILE 26 HA ILE 26 -9.687 -4.374 3.290 205 HB ILE 26 HB ILE 26 -7.963 -1.875 3.682 206 HG12 ILE 26 2HG1 ILE 26 -9.350 -3.403 5.938 207 HG13 ILE 26 1HG1 ILE 26 -7.676 -3.707 5.506 208 HG21 ILE 26 1HG2 ILE 26 -10.919 -2.373 4.262 209 HG22 ILE 26 2HG2 ILE 26 -10.274 -1.411 2.931 210 HG23 ILE 26 3HG2 ILE 26 -10.050 -0.873 4.595 211 HD11 ILE 26 3HD1 ILE 26 -8.786 -1.096 6.499 212 HD12 ILE 26 1HD1 ILE 26 -7.110 -1.408 6.030 213 HD13 ILE 26 2HD1 ILE 26 -7.813 -2.261 7.399 214 H ALA 27 H ALA 27 -7.293 -4.821 1.233 215 HA ALA 27 HA ALA 27 -8.308 -3.110 -0.966 216 HB1 ALA 27 1HB ALA 27 -5.682 -4.637 -0.788 217 HB2 ALA 27 2HB ALA 27 -5.889 -2.903 -0.531 218 HB3 ALA 27 3HB ALA 27 -6.188 -3.597 -2.126 219 H GLN 28 H GLN 28 -7.427 -6.502 -0.179 220 HA GLN 28 HA GLN 28 -8.379 -7.459 -2.762 221 HB2 GLN 28 2HB GLN 28 -7.666 -9.799 -1.432 222 HB3 GLN 28 1HB GLN 28 -6.618 -8.859 -2.467 223 HG2 GLN 28 2HG GLN 28 -5.405 -9.397 -0.528 224 HG3 GLN 28 1HG GLN 28 -5.799 -7.687 -0.424 225 HE21 GLN 28 1HE2 GLN 28 -5.144 -9.730 1.571 226 HE22 GLN 28 2HE2 GLN 28 -6.401 -9.672 2.750 227 H SER 29 H SER 29 -9.840 -6.997 0.245 228 HA SER 29 HA SER 29 -11.765 -9.179 0.044 229 HB2 SER 29 2HB SER 29 -11.743 -6.791 1.942 230 HB3 SER 29 1HB SER 29 -12.739 -8.239 2.098 231 HG SER 29 HG SER 29 -9.917 -8.031 2.297 232 H LYS 30 H LYS 30 -11.409 -6.345 -1.603 233 HA LYS 30 HA LYS 30 -12.572 -5.177 -3.076 234 HB2 LYS 30 2HB LYS 30 -13.554 -7.468 -3.635 235 HB3 LYS 30 1HB LYS 30 -14.929 -7.045 -2.624 236 HG2 LYS 30 2HG LYS 30 -15.421 -5.130 -4.108 237 HG3 LYS 30 1HG LYS 30 -14.052 -5.563 -5.128 238 HD2 LYS 30 2HD LYS 30 -16.126 -6.351 -6.143 239 HD3 LYS 30 1HD LYS 30 -15.147 -7.733 -5.648 240 HE2 LYS 30 2HE LYS 30 -16.556 -7.932 -3.585 241 HE3 LYS 30 1HE LYS 30 -17.570 -6.618 -4.186 242 HZ1 LYS 30 3HZ LYS 30 -18.126 -7.966 -6.102 243 HZ2 LYS 30 1HZ LYS 30 -18.511 -8.791 -4.677 244 HZ3 LYS 30 2HZ LYS 30 -17.129 -9.214 -5.554 245 H ASP 31 H ASP 31 -12.266 -3.827 -1.041 246 HA ASP 31 HA ASP 31 -14.823 -2.585 -0.200 247 HB2 ASP 31 2HB ASP 31 -12.029 -2.388 1.030 248 HB3 ASP 31 1HB ASP 31 -13.358 -1.345 1.492 249 H TYR 32 H TYR 32 -15.308 -0.709 -1.053 250 HA TYR 32 HA TYR 32 -13.454 0.561 -2.932 251 HB2 TYR 32 2HB TYR 32 -16.342 1.457 -2.624 252 HB3 TYR 32 1HB TYR 32 -15.360 1.386 -4.081 253 HD1 TYR 32 1HD TYR 32 -14.478 -1.464 -4.060 254 HD2 TYR 32 2HD TYR 32 -18.303 0.202 -3.153 255 HE1 TYR 32 1HE TYR 32 -15.520 -3.583 -4.628 256 HE2 TYR 32 2HE TYR 32 -19.365 -1.944 -3.754 257 HH TYR 32 HH TYR 32 -18.779 -3.947 -5.243 258 H GLU 33 H GLU 33 -16.017 1.940 -0.885 259 HA GLU 33 HA GLU 33 -14.536 4.353 -0.412 260 HB2 GLU 33 2HB GLU 33 -16.527 5.110 0.787 261 HB3 GLU 33 1HB GLU 33 -16.950 4.415 -0.775 262 HG2 GLU 33 2HG GLU 33 -17.610 2.313 0.355 263 HG3 GLU 33 1HG GLU 33 -17.238 3.047 1.914 264 H SER 34 H SER 34 -14.980 1.370 1.275 265 HA SER 34 HA SER 34 -14.391 2.286 3.932 266 HB2 SER 34 2HB SER 34 -14.240 -0.510 2.736 267 HB3 SER 34 1HB SER 34 -14.280 -0.121 4.457 268 HG SER 34 HG SER 34 -16.334 -0.663 3.767 269 H TRP 35 H TRP 35 -12.486 1.530 1.166 270 HA TRP 35 HA TRP 35 -9.964 1.254 2.676 271 HB2 TRP 35 2HB TRP 35 -10.593 -0.377 0.818 272 HB3 TRP 35 1HB TRP 35 -10.492 0.967 -0.311 273 HD1 TRP 35 HD TRP 35 -7.923 0.024 2.495 274 HE1 TRP 35 1HE TRP 35 -5.639 -0.349 1.375 275 HE3 TRP 35 3HE TRP 35 -9.306 0.684 -2.396 276 HZ2 TRP 35 2HZ TRP 35 -4.569 -0.369 -1.235 277 HZ3 TRP 35 3HZ TRP 35 -7.591 0.459 -4.139 278 HH2 TRP 35 HH TRP 35 -5.280 -0.048 -3.567 279 H LYS 36 H LYS 36 -11.467 3.012 0.058 280 HA LYS 36 HA LYS 36 -9.917 5.136 -0.595 281 HB2 LYS 36 2HB LYS 36 -12.057 4.550 -1.592 282 HB3 LYS 36 1HB LYS 36 -12.879 4.846 -0.091 283 HG2 LYS 36 2HG LYS 36 -11.610 7.211 -1.363 284 HG3 LYS 36 1HG LYS 36 -13.005 6.492 -2.183 285 HD2 LYS 36 2HD LYS 36 -14.147 6.587 0.186 286 HD3 LYS 36 1HD LYS 36 -12.885 7.749 0.578 287 HE2 LYS 36 2HE LYS 36 -14.929 8.884 -0.120 288 HE3 LYS 36 1HE LYS 36 -13.647 9.166 -1.294 289 HZ1 LYS 36 3HZ LYS 36 -15.822 8.662 -2.296 290 HZ2 LYS 36 1HZ LYS 36 -15.765 7.114 -1.626 291 HZ3 LYS 36 2HZ LYS 36 -14.614 7.582 -2.771 292 H SER 37 H SER 37 -11.917 4.822 2.326 293 HA SER 37 HA SER 37 -11.788 7.414 3.314 294 HB2 SER 37 2HB SER 37 -12.375 6.280 5.478 295 HB3 SER 37 1HB SER 37 -13.385 5.790 4.126 296 HG SER 37 HG SER 37 -12.791 3.928 5.095 297 H ARG 38 H ARG 38 -9.384 4.861 3.380 298 HA ARG 38 HA ARG 38 -7.739 6.243 5.334 299 HB2 ARG 38 2HB ARG 38 -8.033 3.658 5.093 300 HB3 ARG 38 1HB ARG 38 -6.891 3.798 3.760 301 HG2 ARG 38 2HG ARG 38 -5.696 3.206 5.773 302 HG3 ARG 38 1HG ARG 38 -5.240 4.847 5.310 303 HD2 ARG 38 2HD ARG 38 -6.982 5.677 6.992 304 HD3 ARG 38 1HD ARG 38 -7.140 4.011 7.537 305 HE ARG 38 HE ARG 38 -5.227 5.857 8.365 306 HH11 ARG 38 1HH1 ARG 38 -5.216 2.467 7.359 307 HH12 ARG 38 2HH1 ARG 38 -3.837 2.092 8.328 308 HH21 ARG 38 1HH2 ARG 38 -3.526 5.310 9.674 309 HH22 ARG 38 2HH2 ARG 38 -2.875 3.707 9.653 310 H PHE 39 H PHE 39 -8.010 6.054 1.845 311 HA PHE 39 HA PHE 39 -5.460 7.178 1.197 312 HB2 PHE 39 2HB PHE 39 -8.110 7.023 -0.288 313 HB3 PHE 39 1HB PHE 39 -6.794 7.995 -0.938 314 HD1 PHE 39 2HD PHE 39 -7.292 4.563 0.489 315 HD2 PHE 39 1HD PHE 39 -5.448 6.952 -2.565 316 HE1 PHE 39 2HE PHE 39 -6.278 2.558 -0.481 317 HE2 PHE 39 1HE PHE 39 -4.459 4.925 -3.537 318 HZ PHE 39 HZ PHE 39 -4.873 2.726 -2.506 319 H THR 40 H THR 40 -5.288 9.443 0.174 320 HA THR 40 HA THR 40 -6.086 11.421 2.119 321 HB THR 40 HB THR 40 -4.840 13.015 0.920 322 HG1 THR 40 1HG THR 40 -4.325 12.520 -1.435 323 HG21 THR 40 3HG2 THR 40 -3.342 11.151 1.548 324 HG22 THR 40 1HG2 THR 40 -2.787 12.003 0.101 325 HG23 THR 40 2HG2 THR 40 -3.587 10.439 -0.054 326 H LYS 41 H LYS 41 -7.550 13.234 1.710 327 HA LYS 41 HA LYS 41 -10.005 12.507 0.527 328 HB2 LYS 41 2HB LYS 41 -8.969 14.841 1.945 329 HB3 LYS 41 1HB LYS 41 -10.078 15.336 0.684 330 HG2 LYS 41 2HG LYS 41 -10.749 13.327 2.868 331 HG3 LYS 41 1HG LYS 41 -11.188 15.038 2.881 332 HD2 LYS 41 2HD LYS 41 -12.516 14.687 0.817 333 HD3 LYS 41 1HD LYS 41 -12.073 12.974 0.823 334 HE2 LYS 41 2HE LYS 41 -13.676 14.401 2.977 335 HE3 LYS 41 1HE LYS 41 -14.325 13.339 1.737 336 HZ1 LYS 41 3HZ LYS 41 -12.410 12.511 3.848 337 HZ2 LYS 41 1HZ LYS 41 -13.086 11.500 2.675 338 HZ3 LYS 41 2HZ LYS 41 -14.066 12.196 3.859 339 H ASP 42 H ASP 42 -7.212 14.083 -0.806 340 HA ASP 42 HA ASP 42 -8.378 15.008 -3.244 341 HB2 ASP 42 2HB ASP 42 -6.250 15.921 -2.444 342 HB3 ASP 42 1HB ASP 42 -5.493 14.335 -2.525 343 H LEU 43 H LEU 43 -6.731 12.039 -2.220 344 HA LEU 43 HA LEU 43 -6.752 10.741 -4.771 345 HB2 LEU 43 2HB LEU 43 -6.350 9.627 -1.993 346 HB3 LEU 43 1HB LEU 43 -6.207 8.674 -3.468 347 HG LEU 43 HG LEU 43 -4.377 10.885 -2.475 348 HD11 LEU 43 1HD1 LEU 43 -3.958 8.629 -1.721 349 HD12 LEU 43 2HD1 LEU 43 -2.680 9.178 -2.798 350 HD13 LEU 43 3HD1 LEU 43 -3.917 8.058 -3.389 351 HD21 LEU 43 3HD2 LEU 43 -4.366 9.669 -5.238 352 HD22 LEU 43 1HD2 LEU 43 -3.152 10.766 -4.563 353 HD23 LEU 43 2HD2 LEU 43 -4.791 11.342 -4.846 354 H GLN 44 H GLN 44 -8.999 10.980 -2.135 355 HA GLN 44 HA GLN 44 -10.703 8.823 -2.745 356 HB2 GLN 44 2HB GLN 44 -11.145 11.441 -1.293 357 HB3 GLN 44 1HB GLN 44 -12.365 10.159 -1.389 358 HG2 GLN 44 2HG GLN 44 -10.767 8.579 -0.371 359 HG3 GLN 44 1HG GLN 44 -9.590 9.875 -0.221 360 HE21 GLN 44 1HE2 GLN 44 -9.675 9.120 1.971 361 HE22 GLN 44 2HE2 GLN 44 -10.829 9.830 3.021 362 H SER 45 H SER 45 -10.308 12.010 -4.104 363 HA SER 45 HA SER 45 -12.606 11.760 -5.881 364 HB2 SER 45 2HB SER 45 -10.452 13.885 -5.792 365 HB3 SER 45 1HB SER 45 -11.959 13.975 -6.696 366 HG SER 45 HG SER 45 -11.763 13.734 -3.871 367 H SER 46 H SER 46 -9.189 10.999 -5.840 368 HA SER 46 HA SER 46 -8.865 11.021 -8.743 369 HB2 SER 46 2HB SER 46 -6.895 10.186 -6.568 370 HB3 SER 46 1HB SER 46 -6.516 10.431 -8.273 371 HG SER 46 HG SER 46 -7.720 12.561 -6.953 372 H LEU 47 H LEU 47 -9.914 8.774 -6.372 373 HA LEU 47 HA LEU 47 -8.768 6.366 -7.263 374 HB2 LEU 47 2HB LEU 47 -11.280 6.887 -5.690 375 HB3 LEU 47 1HB LEU 47 -10.809 5.265 -6.166 376 HG LEU 47 HG LEU 47 -9.628 7.048 -4.061 377 HD11 LEU 47 1HD1 LEU 47 -11.087 5.226 -3.460 378 HD12 LEU 47 2HD1 LEU 47 -9.457 4.928 -2.860 379 HD13 LEU 47 3HD1 LEU 47 -10.039 4.083 -4.305 380 HD21 LEU 47 3HD2 LEU 47 -7.517 5.818 -3.985 381 HD22 LEU 47 1HD2 LEU 47 -7.661 6.734 -5.486 382 HD23 LEU 47 2HD2 LEU 47 -7.925 4.985 -5.490 383 H THR 48 H THR 48 -9.240 4.979 -8.760 384 HA THR 48 HA THR 48 -11.644 5.285 -10.478 385 HB THR 48 HB THR 48 -10.267 4.157 -12.287 386 HG1 THR 48 1HG THR 48 -8.641 3.380 -10.659 387 HG21 THR 48 3HG2 THR 48 -8.923 6.126 -12.908 388 HG22 THR 48 1HG2 THR 48 -9.109 6.777 -11.280 389 HG23 THR 48 2HG2 THR 48 -10.521 6.602 -12.327 390 H GLU 49 H GLU 49 -12.890 3.451 -10.720 391 HA GLU 49 HA GLU 49 -12.623 1.398 -8.775 392 HB2 GLU 49 2HB GLU 49 -14.489 1.785 -11.118 393 HB3 GLU 49 1HB GLU 49 -14.593 0.395 -10.055 394 HG2 GLU 49 2HG GLU 49 -14.907 1.919 -8.114 395 HG3 GLU 49 1HG GLU 49 -14.885 3.288 -9.214 396 H GLU 50 H GLU 50 -11.555 1.656 -12.082 397 HA GLU 50 HA GLU 50 -11.097 -0.996 -12.773 398 HB2 GLU 50 2HB GLU 50 -10.874 1.021 -14.252 399 HB3 GLU 50 1HB GLU 50 -9.388 1.444 -13.412 400 HG2 GLU 50 2HG GLU 50 -8.463 -0.798 -14.155 401 HG3 GLU 50 1HG GLU 50 -9.899 -0.962 -15.167 402 H SER 51 H SER 51 -9.216 1.210 -10.710 403 HA SER 51 HA SER 51 -6.826 -0.201 -10.443 404 HB2 SER 51 2HB SER 51 -8.216 1.469 -8.315 405 HB3 SER 51 1HB SER 51 -6.501 1.034 -8.329 406 HG SER 51 HG SER 51 -6.292 2.198 -10.257 407 H TYR 52 H TYR 52 -9.910 -0.776 -8.727 408 HA TYR 52 HA TYR 52 -8.669 -2.973 -7.214 409 HB2 TYR 52 2HB TYR 52 -10.459 -2.941 -5.689 410 HB3 TYR 52 1HB TYR 52 -10.192 -1.243 -6.033 411 HD1 TYR 52 2HD TYR 52 -12.467 -4.133 -6.651 412 HD2 TYR 52 1HD TYR 52 -12.038 0.123 -6.999 413 HE1 TYR 52 2HE TYR 52 -14.845 -3.920 -7.194 414 HE2 TYR 52 1HE TYR 52 -14.414 0.303 -7.491 415 HH TYR 52 HH TYR 52 -16.222 -1.054 -8.425 416 H ASP 53 H ASP 53 -10.737 -2.402 -9.949 417 HA ASP 53 HA ASP 53 -12.175 -4.905 -9.876 418 HB2 ASP 53 2HB ASP 53 -13.212 -2.936 -10.915 419 HB3 ASP 53 1HB ASP 53 -11.893 -2.798 -12.059 420 H SER 54 H SER 54 -9.747 -3.565 -12.147 421 HA SER 54 HA SER 54 -9.132 -5.875 -13.575 422 HB2 SER 54 2HB SER 54 -8.343 -3.648 -14.240 423 HB3 SER 54 1HB SER 54 -7.298 -3.568 -12.818 424 HG SER 54 HG SER 54 -5.939 -4.967 -13.710 425 H TYR 55 H TYR 55 -7.513 -4.514 -10.724 426 HA TYR 55 HA TYR 55 -5.671 -6.170 -9.765 427 HB2 TYR 55 2HB TYR 55 -6.428 -4.190 -8.617 428 HB3 TYR 55 1HB TYR 55 -8.023 -4.829 -8.386 429 HD1 TYR 55 2HD TYR 55 -7.942 -7.146 -6.761 430 HD2 TYR 55 1HD TYR 55 -5.216 -3.871 -6.706 431 HE1 TYR 55 2HE TYR 55 -7.377 -7.658 -4.436 432 HE2 TYR 55 1HE TYR 55 -4.685 -4.376 -4.366 433 HH TYR 55 HH TYR 55 -5.195 -7.154 -2.914 434 H LEU 56 H LEU 56 -9.180 -6.819 -9.442 435 HA LEU 56 HA LEU 56 -8.978 -9.084 -7.834 436 HB2 LEU 56 2HB LEU 56 -11.211 -8.253 -9.715 437 HB3 LEU 56 1HB LEU 56 -11.352 -9.591 -8.587 438 HG LEU 56 HG LEU 56 -10.979 -6.676 -7.826 439 HD11 LEU 56 1HD1 LEU 56 -13.413 -8.442 -7.540 440 HD12 LEU 56 2HD1 LEU 56 -13.212 -7.116 -8.689 441 HD13 LEU 56 3HD1 LEU 56 -13.252 -6.780 -6.959 442 HD21 LEU 56 3HD2 LEU 56 -11.340 -7.402 -5.497 443 HD22 LEU 56 1HD2 LEU 56 -9.877 -8.111 -6.184 444 HD23 LEU 56 2HD2 LEU 56 -11.339 -9.088 -6.027 445 H LYS 57 H LYS 57 -8.991 -8.774 -11.346 446 HA LYS 57 HA LYS 57 -9.165 -11.506 -11.993 447 HB2 LYS 57 2HB LYS 57 -7.917 -9.240 -13.557 448 HB3 LYS 57 1HB LYS 57 -8.294 -10.828 -14.203 449 HG2 LYS 57 2HG LYS 57 -10.320 -8.838 -13.136 450 HG3 LYS 57 1HG LYS 57 -9.951 -9.123 -14.825 451 HD2 LYS 57 2HD LYS 57 -11.876 -10.395 -14.621 452 HD3 LYS 57 1HD LYS 57 -10.659 -11.623 -14.284 453 HE2 LYS 57 2HE LYS 57 -11.056 -11.271 -11.831 454 HE3 LYS 57 1HE LYS 57 -12.322 -10.104 -12.240 455 HZ1 LYS 57 3HZ LYS 57 -13.413 -11.954 -13.476 456 HZ2 LYS 57 1HZ LYS 57 -13.334 -12.168 -11.803 457 HZ3 LYS 57 2HZ LYS 57 -12.272 -13.006 -12.809 458 H ILE 58 H ILE 58 -6.334 -9.349 -11.618 459 HA ILE 58 HA ILE 58 -4.297 -11.196 -12.247 460 HB ILE 58 HB ILE 58 -4.162 -8.793 -10.353 461 HG12 ILE 58 2HG1 ILE 58 -2.754 -7.815 -12.315 462 HG13 ILE 58 1HG1 ILE 58 -3.438 -9.103 -13.292 463 HG21 ILE 58 1HG2 ILE 58 -2.373 -10.339 -9.739 464 HG22 ILE 58 2HG2 ILE 58 -1.688 -8.917 -10.531 465 HG23 ILE 58 3HG2 ILE 58 -1.836 -10.437 -11.417 466 HD11 ILE 58 3HD1 ILE 58 -4.611 -7.042 -13.606 467 HD12 ILE 58 1HD1 ILE 58 -4.945 -6.933 -11.875 468 HD13 ILE 58 2HD1 ILE 58 -5.669 -8.228 -12.830 469 H LEU 59 H LEU 59 -5.789 -10.301 -9.196 470 HA LEU 59 HA LEU 59 -4.450 -11.787 -7.296 471 HB2 LEU 59 2HB LEU 59 -6.691 -10.177 -7.316 472 HB3 LEU 59 1HB LEU 59 -7.437 -11.717 -7.044 473 HG LEU 59 HG LEU 59 -5.794 -11.986 -5.055 474 HD11 LEU 59 1HD1 LEU 59 -4.246 -10.192 -5.624 475 HD12 LEU 59 2HD1 LEU 59 -4.992 -9.882 -4.059 476 HD13 LEU 59 3HD1 LEU 59 -5.536 -8.992 -5.484 477 HD21 LEU 59 3HD2 LEU 59 -8.001 -9.906 -4.946 478 HD22 LEU 59 1HD2 LEU 59 -7.266 -10.693 -3.544 479 HD23 LEU 59 2HD2 LEU 59 -8.172 -11.649 -4.716 480 H GLU 60 H GLU 60 -7.273 -12.790 -9.255 481 HA GLU 60 HA GLU 60 -7.616 -15.310 -8.128 482 HB2 GLU 60 2HB GLU 60 -8.480 -14.061 -10.749 483 HB3 GLU 60 1HB GLU 60 -8.972 -15.656 -10.275 484 HG2 GLU 60 2HG GLU 60 -10.107 -14.787 -8.302 485 HG3 GLU 60 1HG GLU 60 -9.561 -13.172 -8.718 486 H LYS 61 H LYS 61 -5.444 -14.169 -10.646 487 HA LYS 61 HA LYS 61 -4.981 -16.738 -11.883 488 HB2 LYS 61 2HB LYS 61 -3.657 -14.028 -12.186 489 HB3 LYS 61 1HB LYS 61 -3.358 -15.407 -13.226 490 HG2 LYS 61 2HG LYS 61 -5.599 -15.356 -14.087 491 HG3 LYS 61 1HG LYS 61 -6.099 -14.182 -12.869 492 HD2 LYS 61 2HD LYS 61 -4.543 -12.509 -13.914 493 HD3 LYS 61 1HD LYS 61 -4.192 -13.685 -15.187 494 HE2 LYS 61 2HE LYS 61 -6.563 -13.682 -15.849 495 HE3 LYS 61 1HE LYS 61 -6.938 -12.550 -14.548 496 HZ1 LYS 61 3HZ LYS 61 -5.180 -12.014 -16.881 497 HZ2 LYS 61 1HZ LYS 61 -5.501 -10.926 -15.625 498 HZ3 LYS 61 2HZ LYS 61 -6.746 -11.425 -16.649 499 H GLN 62 H GLN 62 -3.736 -14.884 -9.270 500 HA GLN 62 HA GLN 62 -1.419 -16.679 -8.903 501 HB2 GLN 62 2HB GLN 62 -0.660 -14.915 -7.265 502 HB3 GLN 62 1HB GLN 62 -0.711 -14.461 -8.957 503 HG2 GLN 62 2HG GLN 62 -3.120 -13.551 -8.228 504 HG3 GLN 62 1HG GLN 62 -2.320 -13.438 -6.666 505 HE21 GLN 62 1HE2 GLN 62 -0.715 -13.074 -9.754 506 HE22 GLN 62 2HE2 GLN 62 -0.400 -11.413 -9.595 507 H GLY 63 H GLY 63 -4.483 -16.796 -8.126 508 HA2 GLY 63 2HA GLY 63 -5.367 -18.332 -6.529 509 HA3 GLY 63 1HA GLY 63 -3.979 -18.055 -5.524 510 H GLU 64 H GLU 64 -4.528 -17.091 -3.688 511 HA GLU 64 HA GLU 64 -5.564 -14.393 -3.738 512 HB2 GLU 64 2HB GLU 64 -7.153 -16.629 -2.537 513 HB3 GLU 64 1HB GLU 64 -7.019 -15.189 -1.557 514 HG2 GLU 64 2HG GLU 64 -8.044 -13.826 -3.249 515 HG3 GLU 64 1HG GLU 64 -8.004 -15.149 -4.412 516 H PHE 65 H PHE 65 -5.252 -13.317 -1.649 517 HA PHE 65 HA PHE 65 -2.585 -13.557 -0.809 518 HB2 PHE 65 2HB PHE 65 -3.356 -11.401 -0.447 519 HB3 PHE 65 1HB PHE 65 -4.926 -11.923 0.112 520 HD1 PHE 65 2HD PHE 65 -1.341 -11.610 1.154 521 HD2 PHE 65 1HD PHE 65 -5.389 -12.088 2.491 522 HE1 PHE 65 2HE PHE 65 -0.625 -11.395 3.484 523 HE2 PHE 65 1HE PHE 65 -4.644 -11.867 4.818 524 HZ PHE 65 HZ PHE 65 -2.263 -11.528 5.315 525 H LYS 66 H LYS 66 -1.599 -14.758 0.698 526 HA LYS 66 HA LYS 66 -3.178 -16.149 2.803 527 HB2 LYS 66 2HB LYS 66 -0.537 -17.115 1.607 528 HB3 LYS 66 1HB LYS 66 -1.587 -17.996 2.716 529 HG2 LYS 66 2HG LYS 66 -2.192 -17.297 -0.178 530 HG3 LYS 66 1HG LYS 66 -1.736 -18.886 0.439 531 HD2 LYS 66 2HD LYS 66 -4.268 -17.388 1.233 532 HD3 LYS 66 1HD LYS 66 -4.188 -18.615 -0.031 533 HE2 LYS 66 2HE LYS 66 -3.372 -20.246 1.721 534 HE3 LYS 66 1HE LYS 66 -3.709 -19.009 2.940 535 HZ1 LYS 66 3HZ LYS 66 -6.013 -19.021 2.275 536 HZ2 LYS 66 1HZ LYS 66 -5.530 -20.593 2.667 537 HZ3 LYS 66 2HZ LYS 66 -5.696 -20.141 1.048 538 H GLU 67 H GLU 67 -0.204 -14.449 1.910 539 HA GLU 67 HA GLU 67 0.715 -14.273 4.681 540 HB2 GLU 67 2HB GLU 67 1.507 -16.442 3.932 541 HB3 GLU 67 1HB GLU 67 1.997 -15.796 2.376 542 HG2 GLU 67 2HG GLU 67 3.957 -16.226 3.565 543 HG3 GLU 67 1HG GLU 67 3.789 -14.487 3.552 544 H PHE 68 H PHE 68 2.374 -12.711 4.945 545 HA PHE 68 HA PHE 68 2.900 -10.883 2.686 546 HB2 PHE 68 2HB PHE 68 3.198 -10.481 5.693 547 HB3 PHE 68 1HB PHE 68 3.684 -9.295 4.485 548 HD1 PHE 68 1HD PHE 68 1.652 -9.095 2.567 549 HD2 PHE 68 2HD PHE 68 1.178 -9.835 6.755 550 HE1 PHE 68 1HE PHE 68 -0.612 -8.201 2.469 551 HE2 PHE 68 2HE PHE 68 -1.105 -8.930 6.642 552 HZ PHE 68 HZ PHE 68 -2.002 -8.100 4.506 553 H GLY 69 H GLY 69 5.090 -10.113 2.426 554 HA2 GLY 69 2HA GLY 69 7.152 -12.108 3.164 555 HA3 GLY 69 1HA GLY 69 6.872 -11.658 1.494 556 H LYS 70 H LYS 70 8.818 -10.840 1.108 557 HA LYS 70 HA LYS 70 10.453 -9.342 2.817 558 HB2 LYS 70 2HB LYS 70 11.212 -10.803 1.013 559 HB3 LYS 70 1HB LYS 70 10.461 -9.771 -0.191 560 HG2 LYS 70 2HG LYS 70 12.580 -8.560 1.574 561 HG3 LYS 70 1HG LYS 70 13.100 -9.725 0.351 562 HD2 LYS 70 2HD LYS 70 11.988 -8.343 -1.407 563 HD3 LYS 70 1HD LYS 70 11.531 -7.161 -0.176 564 HE2 LYS 70 2HE LYS 70 13.877 -6.672 0.267 565 HE3 LYS 70 1HE LYS 70 14.385 -7.940 -0.853 566 HZ1 LYS 70 3HZ LYS 70 13.375 -6.702 -2.654 567 HZ2 LYS 70 1HZ LYS 70 14.518 -5.751 -1.852 568 HZ3 LYS 70 2HZ LYS 70 12.870 -5.498 -1.588 569 H CYS 71 H CYS 71 10.753 -7.211 3.098 570 HA CYS 71 HA CYS 71 9.038 -5.297 1.624 571 HB2 CYS 71 2HB CYS 71 9.955 -5.002 4.497 572 HB3 CYS 71 1HB CYS 71 8.763 -4.028 3.648 573 HG CYS 71 HG CYS 71 7.770 -7.134 3.504 574 H THR 72 H THR 72 9.896 -3.355 0.988 575 HA THR 72 HA THR 72 12.590 -2.563 1.883 576 HB THR 72 HB THR 72 11.749 -2.468 -1.024 577 HG1 THR 72 1HG THR 72 13.556 -4.208 0.324 578 HG21 THR 72 3HG2 THR 72 14.421 -1.847 0.279 579 HG22 THR 72 1HG2 THR 72 13.312 -0.661 -0.420 580 HG23 THR 72 2HG2 THR 72 14.107 -1.847 -1.457 581 H TYR 73 H TYR 73 12.310 -0.618 2.740 582 HA TYR 73 HA TYR 73 9.865 0.851 2.329 583 HB2 TYR 73 2HB TYR 73 12.172 1.673 4.145 584 HB3 TYR 73 1HB TYR 73 10.521 2.224 4.172 585 HD1 TYR 73 2HD TYR 73 8.721 0.855 5.031 586 HD2 TYR 73 1HD TYR 73 12.749 -0.546 5.072 587 HE1 TYR 73 2HE TYR 73 8.082 -0.947 6.611 588 HE2 TYR 73 1HE TYR 73 12.112 -2.358 6.598 589 HH TYR 73 HH TYR 73 10.365 -2.900 8.219 590 H LEU 74 H LEU 74 9.657 2.858 1.593 591 HA LEU 74 HA LEU 74 11.855 4.050 0.011 592 HB2 LEU 74 2HB LEU 74 8.871 4.612 -0.215 593 HB3 LEU 74 1HB LEU 74 10.139 5.133 -1.307 594 HG LEU 74 HG LEU 74 8.908 3.477 -2.392 595 HD11 LEU 74 1HD1 LEU 74 11.285 3.255 -2.822 596 HD12 LEU 74 2HD1 LEU 74 10.487 1.681 -2.905 597 HD13 LEU 74 3HD1 LEU 74 11.437 2.113 -1.479 598 HD21 LEU 74 3HD2 LEU 74 8.421 1.240 -1.658 599 HD22 LEU 74 1HD2 LEU 74 7.735 2.441 -0.575 600 HD23 LEU 74 2HD2 LEU 74 9.194 1.566 -0.107 601 H GLY 75 H GLY 75 11.836 6.421 -0.020 602 HA2 GLY 75 2HA GLY 75 10.296 7.765 2.130 603 HA3 GLY 75 1HA GLY 75 11.995 8.170 1.802 604 H GLN 76 H GLN 76 9.802 9.996 1.591 605 HA GLN 76 HA GLN 76 10.490 11.125 -0.927 606 HB2 GLN 76 2HB GLN 76 7.672 11.328 -1.263 607 HB3 GLN 76 1HB GLN 76 8.752 10.352 -2.239 608 HG2 GLN 76 2HG GLN 76 8.232 8.380 -0.928 609 HG3 GLN 76 1HG GLN 76 7.335 9.338 0.238 610 HE21 GLN 76 1HE2 GLN 76 5.539 8.004 -0.036 611 HE22 GLN 76 2HE2 GLN 76 4.525 8.094 -1.432 612 H ILE 77 H ILE 77 9.928 13.324 -1.089 613 HA ILE 77 HA ILE 77 8.331 14.617 1.061 614 HB ILE 77 HB ILE 77 10.965 15.760 -0.029 615 HG12 ILE 77 2HG1 ILE 77 11.554 15.590 2.595 616 HG13 ILE 77 1HG1 ILE 77 10.394 14.276 2.542 617 HG21 ILE 77 1HG2 ILE 77 9.347 17.524 0.485 618 HG22 ILE 77 2HG2 ILE 77 10.682 17.566 1.635 619 HG23 ILE 77 3HG2 ILE 77 9.126 16.884 2.114 620 HD11 ILE 77 3HD1 ILE 77 11.750 13.208 0.790 621 HD12 ILE 77 1HD1 ILE 77 12.596 13.435 2.325 622 HD13 ILE 77 2HD1 ILE 77 12.933 14.511 0.972 623 H LYS 78 H LYS 78 6.923 16.041 0.240 624 HA LYS 78 HA LYS 78 6.934 16.713 -2.640 625 HB2 LYS 78 2HB LYS 78 4.587 17.316 -2.251 626 HB3 LYS 78 1HB LYS 78 4.900 15.731 -1.612 627 HG2 LYS 78 2HG LYS 78 3.922 16.393 0.303 628 HG3 LYS 78 1HG LYS 78 5.321 17.404 0.594 629 HD2 LYS 78 2HD LYS 78 3.470 18.792 0.938 630 HD3 LYS 78 1HD LYS 78 4.045 19.243 -0.657 631 HE2 LYS 78 2HE LYS 78 1.739 17.368 -0.155 632 HE3 LYS 78 1HE LYS 78 1.584 19.098 -0.437 633 HZ1 LYS 78 3HZ LYS 78 2.646 18.761 -2.621 634 HZ2 LYS 78 1HZ LYS 78 1.185 17.917 -2.469 635 HZ3 LYS 78 2HZ LYS 78 2.652 17.090 -2.344 636 H ASP 79 H ASP 79 5.350 19.232 -2.003 637 HA ASP 79 HA ASP 79 6.955 21.368 -1.876 638 HB2 ASP 79 2HB ASP 79 4.374 21.037 -0.287 639 HB3 ASP 79 1HB ASP 79 5.124 22.583 -0.641 640 H ASN 80 H ASN 80 5.485 20.183 1.212 641 HA ASN 80 HA ASN 80 8.032 20.750 2.606 642 HB2 ASN 80 2HB ASN 80 5.318 21.748 3.481 643 HB3 ASN 80 1HB ASN 80 6.726 21.772 4.512 644 HD21 ASN 80 1HD2 ASN 80 8.550 22.631 2.383 645 HD22 ASN 80 2HD2 ASN 80 8.162 24.281 2.099 646 H LYS 81 H LYS 81 5.556 18.548 2.029 647 HA LYS 81 HA LYS 81 5.471 17.445 4.764 648 HB2 LYS 81 2HB LYS 81 3.616 17.376 2.449 649 HB3 LYS 81 1HB LYS 81 3.764 15.827 3.246 650 HG2 LYS 81 2HG LYS 81 2.948 18.425 4.564 651 HG3 LYS 81 1HG LYS 81 1.871 17.101 4.098 652 HD2 LYS 81 2HD LYS 81 3.338 15.614 5.654 653 HD3 LYS 81 1HD LYS 81 3.992 17.130 6.285 654 HE2 LYS 81 2HE LYS 81 2.198 16.352 7.737 655 HE3 LYS 81 1HE LYS 81 1.666 17.813 6.905 656 HZ1 LYS 81 3HZ LYS 81 0.991 15.046 6.070 657 HZ2 LYS 81 1HZ LYS 81 0.419 16.473 5.370 658 HZ3 LYS 81 2HZ LYS 81 -0.028 16.065 6.948 659 H LYS 82 H LYS 82 5.580 15.097 5.039 660 HA LYS 82 HA LYS 82 7.733 13.885 3.379 661 HB2 LYS 82 2HB LYS 82 7.211 13.321 6.326 662 HB3 LYS 82 1HB LYS 82 8.608 12.828 5.378 663 HG2 LYS 82 2HG LYS 82 7.905 15.682 6.123 664 HG3 LYS 82 1HG LYS 82 9.049 14.659 7.001 665 HD2 LYS 82 2HD LYS 82 10.450 14.512 4.960 666 HD3 LYS 82 1HD LYS 82 9.300 15.557 4.111 667 HE2 LYS 82 2HE LYS 82 10.887 16.325 6.574 668 HE3 LYS 82 1HE LYS 82 11.262 16.814 4.922 669 HZ1 LYS 82 3HZ LYS 82 10.103 18.585 5.960 670 HZ2 LYS 82 1HZ LYS 82 8.885 17.563 6.526 671 HZ3 LYS 82 2HZ LYS 82 9.018 17.879 4.876 672 H TYR 83 H TYR 83 7.496 11.714 2.878 673 HA TYR 83 HA TYR 83 5.019 10.278 3.600 674 HB2 TYR 83 2HB TYR 83 6.056 10.648 0.752 675 HB3 TYR 83 1HB TYR 83 4.697 9.633 1.207 676 HD1 TYR 83 1HD TYR 83 5.808 13.124 0.665 677 HD2 TYR 83 2HD TYR 83 2.554 10.649 1.891 678 HE1 TYR 83 1HE TYR 83 4.304 14.985 0.528 679 HE2 TYR 83 2HE TYR 83 1.055 12.540 1.702 680 HH TYR 83 HH TYR 83 1.147 15.005 1.765 681 H GLY 84 H GLY 84 5.339 8.102 3.919 682 HA2 GLY 84 2HA GLY 84 8.093 7.034 3.528 683 HA3 GLY 84 1HA GLY 84 7.089 6.709 4.938 684 H GLY 85 H GLY 85 8.253 5.224 2.341 685 HA2 GLY 85 2HA GLY 85 5.821 3.767 1.564 686 HA3 GLY 85 1HA GLY 85 7.346 3.798 0.709 687 H VAL 86 H VAL 86 6.360 1.493 0.835 688 HA VAL 86 HA VAL 86 8.216 -0.166 2.139 689 HB VAL 86 HB VAL 86 6.957 0.084 4.152 690 HG11 VAL 86 1HG1 VAL 86 4.883 1.054 3.261 691 HG12 VAL 86 2HG1 VAL 86 4.527 -0.265 4.377 692 HG13 VAL 86 3HG1 VAL 86 4.397 -0.524 2.633 693 HG21 VAL 86 3HG2 VAL 86 6.096 -2.545 2.904 694 HG22 VAL 86 1HG2 VAL 86 6.097 -2.180 4.633 695 HG23 VAL 86 2HG2 VAL 86 7.620 -2.234 3.742 696 H ILE 87 H ILE 87 8.572 -1.392 0.402 697 HA ILE 87 HA ILE 87 6.437 -2.286 -1.407 698 HB ILE 87 HB ILE 87 9.470 -2.673 -1.609 699 HG12 ILE 87 2HG1 ILE 87 7.663 -0.972 -3.385 700 HG13 ILE 87 1HG1 ILE 87 8.556 -0.324 -2.041 701 HG21 ILE 87 1HG2 ILE 87 9.050 -3.554 -3.893 702 HG22 ILE 87 2HG2 ILE 87 7.312 -3.453 -3.612 703 HG23 ILE 87 3HG2 ILE 87 8.293 -4.573 -2.664 704 HD11 ILE 87 3HD1 ILE 87 10.657 -0.994 -3.147 705 HD12 ILE 87 1HD1 ILE 87 9.693 0.113 -4.123 706 HD13 ILE 87 2HD1 ILE 87 9.717 -1.606 -4.510 707 H ILE 88 H ILE 88 5.368 -3.676 -0.035 708 HA ILE 88 HA ILE 88 6.897 -5.846 1.263 709 HB ILE 88 HB ILE 88 5.697 -4.605 2.898 710 HG12 ILE 88 2HG1 ILE 88 4.062 -7.128 2.350 711 HG13 ILE 88 1HG1 ILE 88 5.603 -7.068 3.200 712 HG21 ILE 88 1HG2 ILE 88 3.287 -4.120 2.859 713 HG22 ILE 88 2HG2 ILE 88 3.151 -4.872 1.268 714 HG23 ILE 88 3HG2 ILE 88 4.112 -3.405 1.470 715 HD11 ILE 88 3HD1 ILE 88 4.548 -5.695 4.958 716 HD12 ILE 88 1HD1 ILE 88 3.801 -7.280 4.769 717 HD13 ILE 88 2HD1 ILE 88 3.001 -5.852 4.120 718 H VAL 89 H VAL 89 6.955 -7.630 0.138 719 HA VAL 89 HA VAL 89 5.380 -8.544 -1.920 720 HB VAL 89 HB VAL 89 7.048 -10.086 0.121 721 HG11 VAL 89 1HG1 VAL 89 6.963 -12.031 -1.398 722 HG12 VAL 89 2HG1 VAL 89 5.760 -11.178 -2.391 723 HG13 VAL 89 3HG1 VAL 89 5.369 -11.648 -0.734 724 HG21 VAL 89 3HG2 VAL 89 8.285 -8.636 -1.455 725 HG22 VAL 89 1HG2 VAL 89 7.527 -9.507 -2.801 726 HG23 VAL 89 2HG2 VAL 89 8.634 -10.356 -1.705 727 H VAL 90 H VAL 90 3.651 -9.787 -2.096 728 HA VAL 90 HA VAL 90 2.294 -10.737 0.337 729 HB VAL 90 HB VAL 90 1.065 -9.400 -2.113 730 HG11 VAL 90 1HG1 VAL 90 -0.150 -11.531 -1.744 731 HG12 VAL 90 2HG1 VAL 90 -1.135 -10.113 -1.380 732 HG13 VAL 90 3HG1 VAL 90 -0.429 -11.058 -0.060 733 HG21 VAL 90 3HG2 VAL 90 -0.142 -8.120 -0.394 734 HG22 VAL 90 1HG2 VAL 90 1.604 -8.030 -0.104 735 HG23 VAL 90 2HG2 VAL 90 0.596 -9.127 0.869 736 H LYS 91 H LYS 91 2.651 -12.743 0.400 737 HA LYS 91 HA LYS 91 2.993 -14.425 -1.956 738 HB2 LYS 91 2HB LYS 91 3.192 -15.086 1.006 739 HB3 LYS 91 1HB LYS 91 3.453 -16.248 -0.293 740 HG2 LYS 91 2HG LYS 91 5.337 -14.808 -1.122 741 HG3 LYS 91 1HG LYS 91 5.123 -13.777 0.300 742 HD2 LYS 91 2HD LYS 91 5.633 -15.702 1.772 743 HD3 LYS 91 1HD LYS 91 5.796 -16.753 0.362 744 HE2 LYS 91 2HE LYS 91 7.729 -15.387 -0.397 745 HE3 LYS 91 1HE LYS 91 7.570 -14.388 1.052 746 HZ1 LYS 91 3HZ LYS 91 7.965 -16.371 2.393 747 HZ2 LYS 91 1HZ LYS 91 9.260 -16.058 1.353 748 HZ3 LYS 91 2HZ LYS 91 8.170 -17.300 0.994 749 H TYR 92 H TYR 92 1.030 -14.443 -2.842 750 HA TYR 92 HA TYR 92 -1.411 -15.285 -1.694 751 HB2 TYR 92 2HB TYR 92 -0.440 -15.509 -4.570 752 HB3 TYR 92 1HB TYR 92 -2.115 -15.590 -4.039 753 HD1 TYR 92 2HD TYR 92 -3.224 -13.532 -3.159 754 HD2 TYR 92 1HD TYR 92 0.647 -13.365 -4.874 755 HE1 TYR 92 2HE TYR 92 -3.465 -11.143 -3.426 756 HE2 TYR 92 1HE TYR 92 0.409 -10.971 -5.161 757 HH TYR 92 HH TYR 92 -1.389 -9.344 -5.431 758 H GLU 93 H GLU 93 -2.379 -17.300 -3.233 759 HA GLU 93 HA GLU 93 -1.437 -19.771 -2.332 760 HB2 GLU 93 2HB GLU 93 -3.151 -18.960 -4.694 761 HB3 GLU 93 1HB GLU 93 -2.928 -20.616 -4.247 762 HG2 GLU 93 2HG GLU 93 -4.103 -18.552 -2.389 763 HG3 GLU 93 1HG GLU 93 -5.075 -19.529 -3.484 764 H GLU 94 H GLU 94 -0.863 -18.032 -5.386 765 HA GLU 94 HA GLU 94 1.131 -20.050 -6.266 766 HB2 GLU 94 2HB GLU 94 -0.677 -18.392 -8.071 767 HB3 GLU 94 1HB GLU 94 0.395 -19.701 -8.568 768 HG2 GLU 94 2HG GLU 94 -1.027 -21.351 -7.496 769 HG3 GLU 94 1HG GLU 94 -1.999 -20.099 -6.735 770 H GLY 95 H GLY 95 0.453 -16.636 -5.823 771 HA2 GLY 95 2HA GLY 95 2.748 -15.774 -7.523 772 HA3 GLY 95 1HA GLY 95 1.288 -14.860 -7.254 773 H ASN 96 H ASN 96 4.266 -14.315 -6.692 774 HA ASN 96 HA ASN 96 3.659 -12.946 -4.115 775 HB2 ASN 96 2HB ASN 96 6.337 -12.899 -5.550 776 HB3 ASN 96 1HB ASN 96 5.978 -12.288 -3.957 777 HD21 ASN 96 1HD2 ASN 96 7.625 -13.454 -3.046 778 HD22 ASN 96 2HD2 ASN 96 7.537 -15.154 -2.806 779 H VAL 97 H VAL 97 2.690 -11.060 -4.493 780 HA VAL 97 HA VAL 97 3.815 -9.304 -6.594 781 HB VAL 97 HB VAL 97 0.893 -9.350 -5.686 782 HG11 VAL 97 1HG1 VAL 97 2.270 -7.563 -7.723 783 HG12 VAL 97 2HG1 VAL 97 1.615 -7.053 -6.167 784 HG13 VAL 97 3HG1 VAL 97 0.529 -7.622 -7.432 785 HG21 VAL 97 3HG2 VAL 97 1.430 -11.209 -7.191 786 HG22 VAL 97 1HG2 VAL 97 2.137 -10.083 -8.358 787 HG23 VAL 97 2HG2 VAL 97 0.407 -10.027 -8.009 788 H ASN 98 H ASN 98 4.504 -7.374 -5.905 789 HA ASN 98 HA ASN 98 4.765 -7.162 -2.984 790 HB2 ASN 98 2HB ASN 98 6.336 -5.811 -5.254 791 HB3 ASN 98 1HB ASN 98 6.734 -5.709 -3.550 792 HD21 ASN 98 1HD2 ASN 98 5.824 -8.708 -5.269 793 HD22 ASN 98 2HD2 ASN 98 7.372 -9.431 -5.132 794 H TYR 99 H TYR 99 3.064 -5.905 -2.243 795 HA TYR 99 HA TYR 99 1.974 -3.660 -3.643 796 HB2 TYR 99 2HB TYR 99 1.670 -4.595 -0.769 797 HB3 TYR 99 1HB TYR 99 0.851 -3.165 -1.390 798 HD1 TYR 99 2HD TYR 99 1.330 -6.375 -3.283 799 HD2 TYR 99 1HD TYR 99 -1.409 -3.890 -1.156 800 HE1 TYR 99 2HE TYR 99 -0.521 -7.787 -4.022 801 HE2 TYR 99 1HE TYR 99 -3.271 -5.308 -1.902 802 HH TYR 99 HH TYR 99 -2.802 -8.360 -3.381 803 H SER 100 H SER 100 3.500 -2.166 -4.135 804 HA SER 100 HA SER 100 5.330 -0.989 -2.287 805 HB2 SER 100 2HB SER 100 4.395 0.051 -5.003 806 HB3 SER 100 1HB SER 100 5.867 0.518 -4.139 807 HG SER 100 HG SER 100 5.748 -2.167 -4.433 808 H LEU 101 H LEU 101 3.845 -0.580 -0.620 809 HA LEU 101 HA LEU 101 1.750 1.412 -0.933 810 HB2 LEU 101 2HB LEU 101 2.564 -0.508 1.240 811 HB3 LEU 101 1HB LEU 101 1.521 0.855 1.637 812 HG LEU 101 HG LEU 101 0.906 -1.305 -0.417 813 HD11 LEU 101 1HD1 LEU 101 -0.912 -1.930 1.050 814 HD12 LEU 101 2HD1 LEU 101 -0.379 -0.726 2.242 815 HD13 LEU 101 3HD1 LEU 101 0.651 -2.109 1.859 816 HD21 LEU 101 3HD2 LEU 101 -0.696 1.106 0.391 817 HD22 LEU 101 1HD2 LEU 101 -1.295 -0.259 -0.559 818 HD23 LEU 101 2HD2 LEU 101 0.003 0.748 -1.192 819 H ALA 102 H ALA 102 1.874 3.437 -0.274 820 HA ALA 102 HA ALA 102 3.942 4.328 1.583 821 HB1 ALA 102 1HB ALA 102 5.053 4.564 -0.602 822 HB2 ALA 102 2HB ALA 102 4.713 6.147 0.100 823 HB3 ALA 102 3HB ALA 102 3.701 5.521 -1.203 824 H TYR 103 H TYR 103 3.407 6.288 2.556 825 HA TYR 103 HA TYR 103 0.907 7.581 2.040 826 HB2 TYR 103 2HB TYR 103 0.050 7.032 4.439 827 HB3 TYR 103 1HB TYR 103 -0.169 5.852 3.157 828 HD1 TYR 103 1HD TYR 103 2.475 6.641 5.766 829 HD2 TYR 103 2HD TYR 103 0.106 3.660 3.792 830 HE1 TYR 103 1HE TYR 103 3.378 4.893 7.256 831 HE2 TYR 103 2HE TYR 103 1.029 1.938 5.256 832 HH TYR 103 HH TYR 103 2.890 1.559 6.676 833 H ASP 104 H ASP 104 0.398 9.166 3.705 834 HA ASP 104 HA ASP 104 2.675 10.871 4.070 835 HB2 ASP 104 2HB ASP 104 0.628 11.756 3.265 836 HB3 ASP 104 1HB ASP 104 -0.307 11.097 4.536 837 H GLU 105 H GLU 105 2.797 12.161 6.179 838 HA GLU 105 HA GLU 105 3.421 10.522 8.408 839 HB2 GLU 105 2HB GLU 105 2.997 13.521 8.185 840 HB3 GLU 105 1HB GLU 105 3.573 12.727 9.651 841 HG2 GLU 105 2HG GLU 105 5.582 11.973 8.544 842 HG3 GLU 105 1HG GLU 105 5.004 12.543 6.981 843 H ASP 106 H ASP 106 0.451 12.275 7.519 844 HA ASP 106 HA ASP 106 -0.912 11.618 10.009 845 HB2 ASP 106 2HB ASP 106 -2.019 12.593 7.341 846 HB3 ASP 106 1HB ASP 106 -3.000 12.353 8.784 847 H MET 107 H MET 107 -0.072 9.958 7.151 848 HA MET 107 HA MET 107 -0.001 7.749 6.781 849 HB2 MET 107 2HB MET 107 0.145 7.475 9.252 850 HB3 MET 107 1HB MET 107 -1.611 7.425 9.343 851 HG2 MET 107 2HG MET 107 -1.680 5.323 8.178 852 HG3 MET 107 1HG MET 107 0.049 5.400 7.816 853 HE1 MET 107 3HE MET 107 1.561 6.167 10.314 854 HE2 MET 107 1HE MET 107 1.891 4.708 9.375 855 HE3 MET 107 2HE MET 107 1.750 4.615 11.134 856 H ASN 108 H ASN 108 -1.515 9.188 5.332 857 HA ASN 108 HA ASN 108 -3.994 7.655 4.803 858 HB2 ASN 108 2HB ASN 108 -3.228 10.292 3.459 859 HB3 ASN 108 1HB ASN 108 -4.813 9.537 3.542 860 HD21 ASN 108 1HD2 ASN 108 -2.536 11.574 5.134 861 HD22 ASN 108 2HD2 ASN 108 -3.557 12.025 6.439 862 H LEU 109 H LEU 109 -3.789 6.140 3.133 863 HA LEU 109 HA LEU 109 -1.429 5.644 1.754 864 HB2 LEU 109 2HB LEU 109 -4.293 4.932 1.041 865 HB3 LEU 109 1HB LEU 109 -2.988 4.514 -0.060 866 HG LEU 109 HG LEU 109 -3.466 2.572 1.208 867 HD11 LEU 109 1HD1 LEU 109 -0.965 3.788 2.394 868 HD12 LEU 109 2HD1 LEU 109 -1.096 2.934 0.852 869 HD13 LEU 109 3HD1 LEU 109 -1.382 2.070 2.360 870 HD21 LEU 109 3HD2 LEU 109 -4.727 3.491 3.017 871 HD22 LEU 109 1HD2 LEU 109 -3.280 4.222 3.727 872 HD23 LEU 109 2HD2 LEU 109 -3.446 2.466 3.660 873 H VAL 110 H VAL 110 -0.376 6.896 0.564 874 HA VAL 110 HA VAL 110 -1.667 8.916 -1.115 875 HB VAL 110 HB VAL 110 0.165 9.249 0.877 876 HG11 VAL 110 1HG1 VAL 110 1.977 7.997 -0.171 877 HG12 VAL 110 2HG1 VAL 110 2.406 9.704 0.009 878 HG13 VAL 110 3HG1 VAL 110 1.935 9.071 -1.572 879 HG21 VAL 110 3HG2 VAL 110 0.644 11.447 -0.007 880 HG22 VAL 110 1HG2 VAL 110 -1.049 11.024 -0.208 881 HG23 VAL 110 2HG2 VAL 110 0.042 10.966 -1.594 882 H SER 111 H SER 111 -0.103 5.945 -1.217 883 HA SER 111 HA SER 111 0.154 5.951 -4.082 884 HB2 SER 111 2HB SER 111 2.385 6.850 -3.042 885 HB3 SER 111 1HB SER 111 2.634 5.209 -2.489 886 HG SER 111 HG SER 111 2.535 6.198 -5.123 887 H PHE 112 H PHE 112 -0.571 4.009 -4.700 888 HA PHE 112 HA PHE 112 0.179 1.585 -3.249 889 HB2 PHE 112 2HB PHE 112 -1.995 1.823 -2.306 890 HB3 PHE 112 1HB PHE 112 -2.705 2.430 -3.783 891 HD1 PHE 112 2HD PHE 112 -3.327 0.789 -5.635 892 HD2 PHE 112 1HD PHE 112 -1.788 -0.592 -1.883 893 HE1 PHE 112 2HE PHE 112 -4.104 -1.488 -6.114 894 HE2 PHE 112 1HE PHE 112 -2.585 -2.815 -2.360 895 HZ PHE 112 HZ PHE 112 -3.726 -3.287 -4.482 896 H THR 113 H THR 113 1.201 0.396 -4.720 897 HA THR 113 HA THR 113 -0.088 -0.128 -7.322 898 HB THR 113 HB THR 113 2.265 -0.300 -8.372 899 HG1 THR 113 1HG THR 113 2.961 1.334 -6.138 900 HG21 THR 113 3HG2 THR 113 0.762 1.547 -8.979 901 HG22 THR 113 1HG2 THR 113 2.438 2.099 -8.910 902 HG23 THR 113 2HG2 THR 113 1.327 2.482 -7.593 903 H MET 114 H MET 114 0.214 -2.223 -8.058 904 HA MET 114 HA MET 114 2.003 -4.035 -6.678 905 HB2 MET 114 2HB MET 114 0.104 -5.766 -6.523 906 HB3 MET 114 1HB MET 114 0.124 -4.491 -5.328 907 HG2 MET 114 2HG MET 114 -1.689 -3.379 -6.354 908 HG3 MET 114 1HG MET 114 -1.585 -4.371 -7.805 909 HE1 MET 114 3HE MET 114 -3.063 -7.750 -6.734 910 HE2 MET 114 1HE MET 114 -1.370 -7.309 -6.964 911 HE3 MET 114 2HE MET 114 -2.595 -6.709 -8.083 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 13.542 18.984 1.449 2 H2 GLY 1 2HT GLY 1 12.503 18.505 0.209 3 H3 GLY 1 3HT GLY 1 14.061 19.034 -0.151 4 HA2 GLY 1 1HA GLY 1 15.005 17.132 0.982 5 HA3 GLY 1 2HA GLY 1 13.375 16.583 1.364 6 H GLU 2 H GLU 2 14.291 14.656 0.230 7 HA GLU 2 HA GLU 2 14.028 14.760 -2.729 8 HB2 GLU 2 2HB GLU 2 15.809 13.093 -2.915 9 HB3 GLU 2 1HB GLU 2 16.422 14.471 -2.019 10 HG2 GLU 2 2HG GLU 2 15.482 11.884 -0.728 11 HG3 GLU 2 1HG GLU 2 17.155 12.227 -1.155 12 H ILE 3 H ILE 3 13.805 12.283 -3.474 13 HA ILE 3 HA ILE 3 11.880 10.906 -1.678 14 HB ILE 3 HB ILE 3 12.339 10.317 -4.657 15 HG12 ILE 3 2HG1 ILE 3 11.590 12.686 -4.425 16 HG13 ILE 3 1HG1 ILE 3 10.371 11.697 -5.202 17 HG21 ILE 3 1HG2 ILE 3 10.113 9.237 -4.515 18 HG22 ILE 3 2HG2 ILE 3 10.046 9.624 -2.792 19 HG23 ILE 3 3HG2 ILE 3 11.273 8.510 -3.398 20 HD11 ILE 3 3HD1 ILE 3 9.088 11.640 -3.126 21 HD12 ILE 3 1HD1 ILE 3 9.400 13.290 -3.660 22 HD13 ILE 3 2HD1 ILE 3 10.333 12.608 -2.327 23 H LEU 4 H LEU 4 12.587 9.220 -0.699 24 HA LEU 4 HA LEU 4 15.335 8.381 -0.902 25 HB2 LEU 4 2HB LEU 4 13.112 7.787 1.076 26 HB3 LEU 4 1HB LEU 4 14.794 7.350 1.293 27 HG LEU 4 HG LEU 4 14.105 9.237 2.647 28 HD11 LEU 4 1HD1 LEU 4 16.172 10.034 0.627 29 HD12 LEU 4 2HD1 LEU 4 16.438 9.053 2.072 30 HD13 LEU 4 3HD1 LEU 4 15.961 10.741 2.233 31 HD21 LEU 4 3HD2 LEU 4 12.435 10.264 1.235 32 HD22 LEU 4 1HD2 LEU 4 13.717 10.920 0.216 33 HD23 LEU 4 2HD2 LEU 4 13.583 11.413 1.912 34 H LYS 5 H LYS 5 16.039 6.276 -1.234 35 HA LYS 5 HA LYS 5 14.263 4.071 -1.788 36 HB2 LYS 5 2HB LYS 5 17.277 4.272 -1.641 37 HB3 LYS 5 1HB LYS 5 16.399 2.831 -2.105 38 HG2 LYS 5 2HG LYS 5 16.508 5.459 -3.594 39 HG3 LYS 5 1HG LYS 5 17.165 3.905 -4.095 40 HD2 LYS 5 2HD LYS 5 14.865 2.983 -4.251 41 HD3 LYS 5 1HD LYS 5 14.225 4.560 -3.764 42 HE2 LYS 5 2HE LYS 5 15.838 4.023 -6.290 43 HE3 LYS 5 1HE LYS 5 14.085 4.203 -6.220 44 HZ1 LYS 5 3HZ LYS 5 16.083 6.301 -5.530 45 HZ2 LYS 5 1HZ LYS 5 14.400 6.483 -5.424 46 HZ3 LYS 5 2HZ LYS 5 15.135 6.251 -6.927 47 H GLU 6 H GLU 6 14.758 5.470 0.989 48 HA GLU 6 HA GLU 6 14.510 3.059 2.631 49 HB2 GLU 6 2HB GLU 6 16.222 3.674 4.214 50 HB3 GLU 6 1HB GLU 6 16.986 3.665 2.626 51 HG2 GLU 6 2HG GLU 6 16.849 6.122 2.520 52 HG3 GLU 6 1HG GLU 6 16.016 6.168 4.081 53 H LEU 7 H LEU 7 13.961 3.855 5.003 54 HA LEU 7 HA LEU 7 11.979 5.958 4.890 55 HB2 LEU 7 2HB LEU 7 13.037 4.293 7.204 56 HB3 LEU 7 1HB LEU 7 11.766 5.504 7.386 57 HG LEU 7 HG LEU 7 11.653 2.924 5.804 58 HD11 LEU 7 1HD1 LEU 7 11.392 2.646 8.190 59 HD12 LEU 7 2HD1 LEU 7 9.894 2.302 7.335 60 HD13 LEU 7 3HD1 LEU 7 10.077 3.827 8.213 61 HD21 LEU 7 3HD2 LEU 7 9.369 3.436 5.203 62 HD22 LEU 7 1HD2 LEU 7 10.461 4.654 4.562 63 HD23 LEU 7 2HD2 LEU 7 9.478 5.023 5.982 64 HA PRO 8 HA PRO 8 15.015 9.183 6.212 65 HB2 PRO 8 2HB PRO 8 13.303 11.282 5.783 66 HB3 PRO 8 1HB PRO 8 14.190 10.506 4.450 67 HG2 PRO 8 2HG PRO 8 11.354 10.049 5.333 68 HG3 PRO 8 1HG PRO 8 11.994 10.277 3.687 69 HD2 PRO 8 2HD PRO 8 11.462 7.810 4.660 70 HD3 PRO 8 1HD PRO 8 12.809 8.096 3.555 71 H GLU 9 H GLU 9 14.092 11.294 7.701 72 HA GLU 9 HA GLU 9 13.471 9.900 10.169 73 HB2 GLU 9 2HB GLU 9 14.086 12.844 9.708 74 HB3 GLU 9 1HB GLU 9 13.918 12.067 11.287 75 HG2 GLU 9 2HG GLU 9 15.782 10.488 10.546 76 HG3 GLU 9 1HG GLU 9 16.039 11.584 9.192 77 H GLY 10 H GLY 10 11.732 10.115 11.446 78 HA2 GLY 10 2HA GLY 10 9.684 11.139 12.138 79 HA3 GLY 10 1HA GLY 10 9.449 11.707 10.496 80 H PHE 11 H PHE 11 10.540 8.452 10.591 81 HA PHE 11 HA PHE 11 7.815 7.310 10.557 82 HB2 PHE 11 2HB PHE 11 9.846 6.628 8.385 83 HB3 PHE 11 1HB PHE 11 8.174 6.165 8.445 84 HD1 PHE 11 2HD PHE 11 6.367 7.954 8.059 85 HD2 PHE 11 1HD PHE 11 10.513 8.651 7.470 86 HE1 PHE 11 2HE PHE 11 5.836 9.976 6.806 87 HE2 PHE 11 1HE PHE 11 9.991 10.707 6.214 88 HZ PHE 11 HZ PHE 11 7.648 11.359 5.890 89 H ASP 12 H ASP 12 7.986 4.832 10.409 90 HA ASP 12 HA ASP 12 10.319 3.715 11.862 91 HB2 ASP 12 2HB ASP 12 8.510 4.268 13.532 92 HB3 ASP 12 1HB ASP 12 7.414 3.222 12.676 93 H LYS 13 H LYS 13 10.871 1.703 11.101 94 HA LYS 13 HA LYS 13 9.987 0.794 8.654 95 HB2 LYS 13 2HB LYS 13 11.494 -0.689 10.837 96 HB3 LYS 13 1HB LYS 13 11.358 -1.211 9.173 97 HG2 LYS 13 2HG LYS 13 12.508 0.885 8.441 98 HG3 LYS 13 1HG LYS 13 12.707 1.321 10.140 99 HD2 LYS 13 2HD LYS 13 14.797 0.387 9.392 100 HD3 LYS 13 1HD LYS 13 14.042 -0.808 10.448 101 HE2 LYS 13 2HE LYS 13 13.348 -2.129 8.539 102 HE3 LYS 13 1HE LYS 13 13.893 -0.881 7.420 103 HZ1 LYS 13 3HZ LYS 13 15.660 -2.445 9.230 104 HZ2 LYS 13 1HZ LYS 13 16.162 -1.273 8.130 105 HZ3 LYS 13 2HZ LYS 13 15.468 -2.706 7.574 106 H GLU 14 H GLU 14 9.136 -0.403 11.906 107 HA GLU 14 HA GLU 14 7.634 -2.623 10.698 108 HB2 GLU 14 2HB GLU 14 8.088 -2.030 13.647 109 HB3 GLU 14 1HB GLU 14 7.446 -3.523 12.952 110 HG2 GLU 14 2HG GLU 14 9.730 -3.560 11.626 111 HG3 GLU 14 1HG GLU 14 10.265 -2.454 12.887 112 H THR 15 H THR 15 7.008 0.500 12.042 113 HA THR 15 HA THR 15 4.168 0.124 12.447 114 HB THR 15 HB THR 15 5.791 2.706 12.159 115 HG1 THR 15 1HG THR 15 6.305 1.244 13.959 116 HG21 THR 15 3HG2 THR 15 3.351 3.084 11.777 117 HG22 THR 15 1HG2 THR 15 3.898 3.817 13.292 118 HG23 THR 15 2HG2 THR 15 3.000 2.299 13.317 119 H VAL 16 H VAL 16 6.284 1.143 9.839 120 HA VAL 16 HA VAL 16 4.208 1.989 8.017 121 HB VAL 16 HB VAL 16 7.227 1.626 7.702 122 HG11 VAL 16 1HG1 VAL 16 5.287 2.522 5.541 123 HG12 VAL 16 2HG1 VAL 16 6.306 1.079 5.515 124 HG13 VAL 16 3HG1 VAL 16 7.046 2.681 5.446 125 HG21 VAL 16 3HG2 VAL 16 6.484 3.606 8.983 126 HG22 VAL 16 1HG2 VAL 16 5.466 4.112 7.630 127 HG23 VAL 16 2HG2 VAL 16 7.226 4.094 7.455 128 H ARG 17 H ARG 17 6.011 -0.974 8.689 129 HA ARG 17 HA ARG 17 5.033 -2.449 6.435 130 HB2 ARG 17 2HB ARG 17 7.005 -3.186 7.798 131 HB3 ARG 17 1HB ARG 17 5.904 -3.546 9.132 132 HG2 ARG 17 2HG ARG 17 4.674 -5.048 7.311 133 HG3 ARG 17 1HG ARG 17 6.231 -4.962 6.485 134 HD2 ARG 17 2HD ARG 17 5.704 -5.988 9.263 135 HD3 ARG 17 1HD ARG 17 6.090 -6.964 7.852 136 HE ARG 17 HE ARG 17 8.317 -5.914 7.862 137 HH11 ARG 17 1HH1 ARG 17 6.481 -5.792 10.871 138 HH12 ARG 17 2HH1 ARG 17 7.895 -5.619 11.863 139 HH21 ARG 17 1HH2 ARG 17 10.150 -5.694 9.178 140 HH22 ARG 17 2HH2 ARG 17 9.974 -5.561 10.902 141 H LYS 18 H LYS 18 4.107 -2.385 9.890 142 HA LYS 18 HA LYS 18 2.078 -4.294 9.788 143 HB2 LYS 18 2HB LYS 18 3.380 -3.046 11.792 144 HB3 LYS 18 1HB LYS 18 1.916 -2.085 11.840 145 HG2 LYS 18 2HG LYS 18 2.024 -5.106 12.124 146 HG3 LYS 18 1HG LYS 18 1.981 -3.972 13.473 147 HD2 LYS 18 2HD LYS 18 -0.246 -3.159 12.659 148 HD3 LYS 18 1HD LYS 18 -0.202 -4.387 11.390 149 HE2 LYS 18 2HE LYS 18 -1.578 -5.131 13.276 150 HE3 LYS 18 1HE LYS 18 -0.153 -6.159 13.119 151 HZ1 LYS 18 3HZ LYS 18 -0.551 -5.595 15.422 152 HZ2 LYS 18 1HZ LYS 18 -0.509 -3.942 15.073 153 HZ3 LYS 18 2HZ LYS 18 0.887 -4.876 14.910 154 H GLN 19 H GLN 19 1.918 -0.797 9.284 155 HA GLN 19 HA GLN 19 -0.909 -0.513 9.173 156 HB2 GLN 19 2HB GLN 19 0.554 1.435 9.438 157 HB3 GLN 19 1HB GLN 19 1.297 1.131 7.875 158 HG2 GLN 19 2HG GLN 19 -0.238 2.987 7.677 159 HG3 GLN 19 1HG GLN 19 -0.880 1.624 6.765 160 HE21 GLN 19 1HE2 GLN 19 -2.772 0.629 7.486 161 HE22 GLN 19 2HE2 GLN 19 -3.800 1.353 8.677 162 H ALA 20 H ALA 20 1.541 -1.238 6.690 163 HA ALA 20 HA ALA 20 -0.173 -0.739 4.433 164 HB1 ALA 20 1HB ALA 20 2.298 -0.387 4.413 165 HB2 ALA 20 2HB ALA 20 1.749 -1.455 3.126 166 HB3 ALA 20 3HB ALA 20 2.538 -2.127 4.562 167 H MET 21 H MET 21 0.842 -3.437 6.419 168 HA MET 21 HA MET 21 0.139 -5.622 4.934 169 HB2 MET 21 2HB MET 21 0.050 -5.130 7.929 170 HB3 MET 21 1HB MET 21 -0.184 -6.725 7.221 171 HG2 MET 21 2HG MET 21 2.037 -6.809 6.421 172 HG3 MET 21 1HG MET 21 2.284 -5.093 6.655 173 HE1 MET 21 3HE MET 21 0.436 -7.027 9.487 174 HE2 MET 21 1HE MET 21 1.769 -7.786 10.352 175 HE3 MET 21 2HE MET 21 1.344 -8.342 8.732 176 H GLU 22 H GLU 22 -1.835 -3.583 7.010 177 HA GLU 22 HA GLU 22 -4.265 -5.092 6.840 178 HB2 GLU 22 2HB GLU 22 -3.957 -2.151 7.609 179 HB3 GLU 22 1HB GLU 22 -5.286 -3.234 8.031 180 HG2 GLU 22 2HG GLU 22 -3.648 -4.608 9.365 181 HG3 GLU 22 1HG GLU 22 -2.431 -3.372 9.046 182 H ASP 23 H ASP 23 -3.000 -2.130 5.323 183 HA ASP 23 HA ASP 23 -5.183 -1.260 3.837 184 HB2 ASP 23 2HB ASP 23 -2.256 -1.112 2.955 185 HB3 ASP 23 1HB ASP 23 -3.547 -0.044 2.413 186 H ILE 24 H ILE 24 -2.704 -3.607 3.022 187 HA ILE 24 HA ILE 24 -3.287 -4.290 0.393 188 HB ILE 24 HB ILE 24 -2.125 -5.855 2.734 189 HG12 ILE 24 2HG1 ILE 24 -0.795 -4.769 0.214 190 HG13 ILE 24 1HG1 ILE 24 -0.829 -3.938 1.761 191 HG21 ILE 24 1HG2 ILE 24 -3.105 -7.578 1.299 192 HG22 ILE 24 2HG2 ILE 24 -1.344 -7.625 1.189 193 HG23 ILE 24 3HG2 ILE 24 -2.290 -6.898 -0.109 194 HD11 ILE 24 3HD1 ILE 24 1.302 -4.999 1.375 195 HD12 ILE 24 1HD1 ILE 24 0.526 -6.575 1.207 196 HD13 ILE 24 2HD1 ILE 24 0.494 -5.734 2.761 197 H GLU 25 H GLU 25 -4.539 -5.744 3.403 198 HA GLU 25 HA GLU 25 -6.035 -7.787 2.148 199 HB2 GLU 25 2HB GLU 25 -6.256 -6.648 4.964 200 HB3 GLU 25 1HB GLU 25 -6.989 -8.165 4.426 201 HG2 GLU 25 2HG GLU 25 -4.816 -9.146 4.013 202 HG3 GLU 25 1HG GLU 25 -4.007 -7.610 4.339 203 H ILE 26 H ILE 26 -6.888 -4.474 2.914 204 HA ILE 26 HA ILE 26 -9.744 -4.833 2.818 205 HB ILE 26 HB ILE 26 -8.571 -2.137 2.126 206 HG12 ILE 26 2HG1 ILE 26 -7.069 -2.906 3.947 207 HG13 ILE 26 1HG1 ILE 26 -8.053 -1.536 4.435 208 HG21 ILE 26 1HG2 ILE 26 -11.000 -2.370 2.291 209 HG22 ILE 26 2HG2 ILE 26 -10.405 -1.303 3.562 210 HG23 ILE 26 3HG2 ILE 26 -10.857 -2.966 3.947 211 HD11 ILE 26 3HD1 ILE 26 -9.489 -3.035 5.720 212 HD12 ILE 26 1HD1 ILE 26 -7.797 -3.152 6.201 213 HD13 ILE 26 2HD1 ILE 26 -8.514 -4.415 5.199 214 H ALA 27 H ALA 27 -7.210 -4.435 0.464 215 HA ALA 27 HA ALA 27 -8.842 -3.578 -1.757 216 HB1 ALA 27 1HB ALA 27 -6.812 -3.909 -3.100 217 HB2 ALA 27 2HB ALA 27 -6.026 -4.715 -1.738 218 HB3 ALA 27 3HB ALA 27 -6.456 -3.005 -1.626 219 H GLN 28 H GLN 28 -7.522 -6.712 -0.619 220 HA GLN 28 HA GLN 28 -8.615 -8.311 -2.710 221 HB2 GLN 28 2HB GLN 28 -7.946 -9.063 0.169 222 HB3 GLN 28 1HB GLN 28 -8.515 -10.229 -1.017 223 HG2 GLN 28 2HG GLN 28 -6.190 -10.531 -0.980 224 HG3 GLN 28 1HG GLN 28 -6.471 -9.569 -2.429 225 HE21 GLN 28 1HE2 GLN 28 -5.208 -9.635 0.776 226 HE22 GLN 28 2HE2 GLN 28 -4.364 -8.144 0.718 227 H SER 29 H SER 29 -9.937 -6.978 0.246 228 HA SER 29 HA SER 29 -12.443 -8.378 0.212 229 HB2 SER 29 2HB SER 29 -11.687 -5.785 1.636 230 HB3 SER 29 1HB SER 29 -13.088 -6.797 1.994 231 HG SER 29 HG SER 29 -10.604 -7.014 2.925 232 H LYS 30 H LYS 30 -11.274 -6.207 -1.948 233 HA LYS 30 HA LYS 30 -11.980 -4.636 -3.372 234 HB2 LYS 30 2HB LYS 30 -13.902 -5.239 -4.764 235 HB3 LYS 30 1HB LYS 30 -12.933 -6.657 -4.394 236 HG2 LYS 30 2HG LYS 30 -14.610 -7.327 -2.677 237 HG3 LYS 30 1HG LYS 30 -15.582 -5.921 -3.112 238 HD2 LYS 30 2HD LYS 30 -16.466 -7.938 -4.188 239 HD3 LYS 30 1HD LYS 30 -15.855 -6.815 -5.405 240 HE2 LYS 30 2HE LYS 30 -13.848 -8.147 -5.707 241 HE3 LYS 30 1HE LYS 30 -14.276 -9.183 -4.345 242 HZ1 LYS 30 3HZ LYS 30 -16.147 -10.019 -5.558 243 HZ2 LYS 30 1HZ LYS 30 -14.760 -10.197 -6.510 244 HZ3 LYS 30 2HZ LYS 30 -15.871 -8.965 -6.841 245 H ASP 31 H ASP 31 -12.266 -3.806 -0.801 246 HA ASP 31 HA ASP 31 -14.668 -2.160 -0.725 247 HB2 ASP 31 2HB ASP 31 -12.187 -2.258 1.039 248 HB3 ASP 31 1HB ASP 31 -13.465 -1.064 1.255 249 H TYR 32 H TYR 32 -14.802 -0.163 -1.542 250 HA TYR 32 HA TYR 32 -12.360 1.159 -2.588 251 HB2 TYR 32 2HB TYR 32 -15.118 1.932 -3.565 252 HB3 TYR 32 1HB TYR 32 -13.592 1.950 -4.432 253 HD1 TYR 32 2HD TYR 32 -12.579 -0.714 -4.507 254 HD2 TYR 32 1HD TYR 32 -16.677 0.486 -4.548 255 HE1 TYR 32 2HE TYR 32 -13.209 -2.853 -5.533 256 HE2 TYR 32 1HE TYR 32 -17.300 -1.646 -5.580 257 HH TYR 32 HH TYR 32 -16.259 -3.417 -6.932 258 H GLU 33 H GLU 33 -15.656 2.207 -1.697 259 HA GLU 33 HA GLU 33 -14.750 4.560 -0.337 260 HB2 GLU 33 2HB GLU 33 -17.560 3.452 -0.731 261 HB3 GLU 33 1HB GLU 33 -17.179 5.027 -0.037 262 HG2 GLU 33 2HG GLU 33 -16.082 5.654 -2.207 263 HG3 GLU 33 1HG GLU 33 -16.639 4.124 -2.883 264 H SER 34 H SER 34 -14.275 1.777 0.783 265 HA SER 34 HA SER 34 -14.947 2.498 3.583 266 HB2 SER 34 2HB SER 34 -14.430 -0.333 2.540 267 HB3 SER 34 1HB SER 34 -14.874 0.115 4.179 268 HG SER 34 HG SER 34 -16.478 -0.488 2.179 269 H TRP 35 H TRP 35 -12.675 1.445 1.217 270 HA TRP 35 HA TRP 35 -10.369 1.186 2.991 271 HB2 TRP 35 2HB TRP 35 -10.726 -0.511 1.315 272 HB3 TRP 35 1HB TRP 35 -10.962 0.683 0.057 273 HD1 TRP 35 HD TRP 35 -7.896 0.035 2.445 274 HE1 TRP 35 1HE TRP 35 -5.841 -0.245 0.926 275 HE3 TRP 35 3HE TRP 35 -10.156 0.662 -2.089 276 HZ2 TRP 35 2HZ TRP 35 -5.273 -0.190 -1.826 277 HZ3 TRP 35 3HZ TRP 35 -8.789 0.525 -4.132 278 HH2 TRP 35 HH TRP 35 -6.385 0.114 -4.001 279 H LYS 36 H LYS 36 -11.948 3.424 0.984 280 HA LYS 36 HA LYS 36 -9.896 5.112 0.153 281 HB2 LYS 36 2HB LYS 36 -11.676 6.721 -0.177 282 HB3 LYS 36 1HB LYS 36 -12.157 5.182 -0.719 283 HG2 LYS 36 2HG LYS 36 -13.761 4.991 0.808 284 HG3 LYS 36 1HG LYS 36 -12.937 5.842 2.050 285 HD2 LYS 36 2HD LYS 36 -14.980 6.987 1.220 286 HD3 LYS 36 1HD LYS 36 -13.539 7.981 1.087 287 HE2 LYS 36 2HE LYS 36 -13.401 7.492 -1.308 288 HE3 LYS 36 1HE LYS 36 -14.804 6.420 -1.192 289 HZ1 LYS 36 3HZ LYS 36 -16.178 8.308 -0.608 290 HZ2 LYS 36 1HZ LYS 36 -15.365 8.637 -2.050 291 HZ3 LYS 36 2HZ LYS 36 -14.841 9.339 -0.611 292 H SER 37 H SER 37 -11.513 4.740 3.241 293 HA SER 37 HA SER 37 -10.799 7.131 4.535 294 HB2 SER 37 2HB SER 37 -12.480 5.530 5.416 295 HB3 SER 37 1HB SER 37 -11.203 4.360 5.742 296 HG SER 37 HG SER 37 -10.468 6.598 6.923 297 H ARG 38 H ARG 38 -8.912 4.251 3.792 298 HA ARG 38 HA ARG 38 -6.580 4.912 5.258 299 HB2 ARG 38 2HB ARG 38 -7.278 3.002 3.150 300 HB3 ARG 38 1HB ARG 38 -5.742 3.756 2.758 301 HG2 ARG 38 2HG ARG 38 -5.436 1.672 3.990 302 HG3 ARG 38 1HG ARG 38 -4.812 3.059 4.892 303 HD2 ARG 38 2HD ARG 38 -6.846 3.070 6.304 304 HD3 ARG 38 1HD ARG 38 -7.495 1.697 5.394 305 HE ARG 38 HE ARG 38 -4.942 1.070 6.387 306 HH11 ARG 38 1HH1 ARG 38 -8.185 1.584 7.642 307 HH12 ARG 38 2HH1 ARG 38 -7.935 0.536 9.006 308 HH21 ARG 38 1HH2 ARG 38 -4.652 -0.328 8.091 309 HH22 ARG 38 2HH2 ARG 38 -5.909 -0.559 9.264 310 H PHE 39 H PHE 39 -7.511 5.587 1.878 311 HA PHE 39 HA PHE 39 -5.319 7.200 1.193 312 HB2 PHE 39 2HB PHE 39 -8.126 7.053 0.012 313 HB3 PHE 39 1HB PHE 39 -6.826 7.988 -0.713 314 HD1 PHE 39 1HD PHE 39 -4.817 6.849 -1.646 315 HD2 PHE 39 2HD PHE 39 -8.230 4.668 -0.250 316 HE1 PHE 39 1HE PHE 39 -4.014 4.840 -2.824 317 HE2 PHE 39 2HE PHE 39 -7.440 2.683 -1.454 318 HZ PHE 39 HZ PHE 39 -5.351 2.763 -2.743 319 H THR 40 H THR 40 -5.392 9.480 0.525 320 HA THR 40 HA THR 40 -6.264 11.293 2.551 321 HB THR 40 HB THR 40 -5.422 13.079 1.252 322 HG1 THR 40 1HG THR 40 -5.162 12.745 -1.149 323 HG21 THR 40 3HG2 THR 40 -3.926 10.740 0.034 324 HG22 THR 40 1HG2 THR 40 -3.593 11.425 1.633 325 HG23 THR 40 2HG2 THR 40 -3.348 12.399 0.182 326 H LYS 41 H LYS 41 -7.953 12.838 2.471 327 HA LYS 41 HA LYS 41 -10.438 11.930 1.540 328 HB2 LYS 41 2HB LYS 41 -9.495 14.578 2.575 329 HB3 LYS 41 1HB LYS 41 -11.139 14.406 1.993 330 HG2 LYS 41 2HG LYS 41 -11.469 14.003 4.235 331 HG3 LYS 41 1HG LYS 41 -11.183 12.352 3.691 332 HD2 LYS 41 2HD LYS 41 -8.837 12.498 4.447 333 HD3 LYS 41 1HD LYS 41 -9.079 14.186 4.908 334 HE2 LYS 41 2HE LYS 41 -10.923 13.306 6.489 335 HE3 LYS 41 1HE LYS 41 -10.235 11.707 6.198 336 HZ1 LYS 41 3HZ LYS 41 -8.870 14.052 7.415 337 HZ2 LYS 41 1HZ LYS 41 -8.073 12.622 6.982 338 HZ3 LYS 41 2HZ LYS 41 -9.273 12.594 8.167 339 H ASP 42 H ASP 42 -7.995 13.775 -0.067 340 HA ASP 42 HA ASP 42 -9.568 14.816 -2.219 341 HB2 ASP 42 2HB ASP 42 -7.364 15.749 -1.436 342 HB3 ASP 42 1HB ASP 42 -6.555 14.333 -2.091 343 H LEU 43 H LEU 43 -7.559 11.902 -1.726 344 HA LEU 43 HA LEU 43 -7.951 10.805 -4.356 345 HB2 LEU 43 2HB LEU 43 -7.228 9.398 -1.773 346 HB3 LEU 43 1HB LEU 43 -7.084 8.719 -3.381 347 HG LEU 43 HG LEU 43 -5.551 11.209 -2.531 348 HD11 LEU 43 1HD1 LEU 43 -3.623 9.782 -2.227 349 HD12 LEU 43 2HD1 LEU 43 -4.623 8.354 -2.523 350 HD13 LEU 43 3HD1 LEU 43 -4.917 9.367 -1.108 351 HD21 LEU 43 3HD2 LEU 43 -5.038 9.260 -4.777 352 HD22 LEU 43 1HD2 LEU 43 -4.147 10.742 -4.416 353 HD23 LEU 43 2HD2 LEU 43 -5.818 10.839 -4.973 354 H GLN 44 H GLN 44 -9.803 10.847 -1.415 355 HA GLN 44 HA GLN 44 -11.544 8.672 -1.944 356 HB2 GLN 44 2HB GLN 44 -11.901 11.150 -0.251 357 HB3 GLN 44 1HB GLN 44 -13.022 9.791 -0.264 358 HG2 GLN 44 2HG GLN 44 -11.166 8.293 0.406 359 HG3 GLN 44 1HG GLN 44 -10.101 9.685 0.480 360 HE21 GLN 44 1HE2 GLN 44 -9.700 9.036 2.599 361 HE22 GLN 44 2HE2 GLN 44 -10.784 9.475 3.855 362 H SER 45 H SER 45 -11.210 11.702 -3.427 363 HA SER 45 HA SER 45 -13.804 11.537 -4.798 364 HB2 SER 45 2HB SER 45 -11.686 13.697 -4.861 365 HB3 SER 45 1HB SER 45 -13.254 13.783 -5.661 366 HG SER 45 HG SER 45 -13.713 14.752 -3.823 367 H SER 46 H SER 46 -10.491 10.605 -5.178 368 HA SER 46 HA SER 46 -10.844 10.142 -8.093 369 HB2 SER 46 2HB SER 46 -8.382 11.375 -6.777 370 HB3 SER 46 1HB SER 46 -8.517 10.933 -8.478 371 HG SER 46 HG SER 46 -10.080 12.862 -7.111 372 H LEU 47 H LEU 47 -11.202 8.173 -6.089 373 HA LEU 47 HA LEU 47 -8.981 6.475 -5.729 374 HB2 LEU 47 2HB LEU 47 -11.920 5.804 -5.929 375 HB3 LEU 47 1HB LEU 47 -10.687 4.588 -5.626 376 HG LEU 47 HG LEU 47 -11.571 6.850 -3.802 377 HD11 LEU 47 1HD1 LEU 47 -11.921 4.995 -2.259 378 HD12 LEU 47 2HD1 LEU 47 -11.367 3.864 -3.496 379 HD13 LEU 47 3HD1 LEU 47 -12.848 4.801 -3.741 380 HD21 LEU 47 3HD2 LEU 47 -9.141 6.881 -3.631 381 HD22 LEU 47 1HD2 LEU 47 -9.091 5.125 -3.446 382 HD23 LEU 47 2HD2 LEU 47 -9.830 6.129 -2.187 383 H THR 48 H THR 48 -8.196 4.735 -6.887 384 HA THR 48 HA THR 48 -8.553 4.920 -9.793 385 HB THR 48 HB THR 48 -6.468 3.357 -9.736 386 HG1 THR 48 1HG THR 48 -5.277 3.520 -7.765 387 HG21 THR 48 3HG2 THR 48 -4.915 5.258 -9.430 388 HG22 THR 48 1HG2 THR 48 -6.204 6.207 -8.683 389 HG23 THR 48 2HG2 THR 48 -6.320 5.742 -10.384 390 H GLU 49 H GLU 49 -10.188 3.731 -10.422 391 HA GLU 49 HA GLU 49 -11.157 1.399 -9.132 392 HB2 GLU 49 2HB GLU 49 -11.823 2.751 -11.759 393 HB3 GLU 49 1HB GLU 49 -12.615 1.272 -11.257 394 HG2 GLU 49 2HG GLU 49 -13.525 2.356 -9.277 395 HG3 GLU 49 1HG GLU 49 -12.609 3.820 -9.618 396 H GLU 50 H GLU 50 -8.826 1.896 -11.702 397 HA GLU 50 HA GLU 50 -8.898 -0.785 -12.731 398 HB2 GLU 50 2HB GLU 50 -8.060 1.141 -14.046 399 HB3 GLU 50 1HB GLU 50 -6.737 1.364 -12.913 400 HG2 GLU 50 2HG GLU 50 -5.824 -0.816 -13.507 401 HG3 GLU 50 1HG GLU 50 -7.170 -1.105 -14.602 402 H SER 51 H SER 51 -7.181 0.912 -10.191 403 HA SER 51 HA SER 51 -5.142 -0.998 -9.678 404 HB2 SER 51 2HB SER 51 -5.099 1.443 -9.022 405 HB3 SER 51 1HB SER 51 -6.229 1.056 -7.724 406 HG SER 51 HG SER 51 -4.642 -0.402 -6.919 407 H TYR 52 H TYR 52 -8.518 -1.072 -8.867 408 HA TYR 52 HA TYR 52 -7.974 -3.407 -7.133 409 HB2 TYR 52 2HB TYR 52 -10.117 -3.285 -6.198 410 HB3 TYR 52 1HB TYR 52 -9.715 -1.592 -6.392 411 HD1 TYR 52 1HD TYR 52 -11.774 -4.383 -7.809 412 HD2 TYR 52 2HD TYR 52 -11.175 -0.143 -7.730 413 HE1 TYR 52 1HE TYR 52 -13.909 -4.059 -8.985 414 HE2 TYR 52 2HE TYR 52 -13.311 0.167 -8.911 415 HH TYR 52 HH TYR 52 -15.607 -2.311 -9.286 416 H ASP 53 H ASP 53 -9.433 -2.399 -10.198 417 HA ASP 53 HA ASP 53 -10.985 -4.760 -10.631 418 HB2 ASP 53 2HB ASP 53 -11.557 -2.507 -11.527 419 HB3 ASP 53 1HB ASP 53 -10.166 -2.574 -12.598 420 H SER 54 H SER 54 -8.191 -3.484 -12.494 421 HA SER 54 HA SER 54 -7.653 -5.884 -13.893 422 HB2 SER 54 2HB SER 54 -5.794 -3.556 -13.266 423 HB3 SER 54 1HB SER 54 -5.508 -4.799 -14.490 424 HG SER 54 HG SER 54 -7.746 -3.995 -15.225 425 H TYR 55 H TYR 55 -6.654 -4.598 -10.774 426 HA TYR 55 HA TYR 55 -4.681 -6.470 -10.092 427 HB2 TYR 55 2HB TYR 55 -4.791 -4.598 -8.622 428 HB3 TYR 55 1HB TYR 55 -6.531 -4.753 -8.406 429 HD1 TYR 55 2HD TYR 55 -3.341 -6.597 -7.711 430 HD2 TYR 55 1HD TYR 55 -7.358 -5.834 -6.447 431 HE1 TYR 55 2HE TYR 55 -3.013 -8.068 -5.784 432 HE2 TYR 55 1HE TYR 55 -7.022 -7.307 -4.506 433 HH TYR 55 HH TYR 55 -5.613 -9.114 -3.823 434 H LEU 56 H LEU 56 -8.248 -6.652 -9.861 435 HA LEU 56 HA LEU 56 -8.309 -8.972 -8.247 436 HB2 LEU 56 2HB LEU 56 -10.448 -7.778 -10.057 437 HB3 LEU 56 1HB LEU 56 -10.735 -9.225 -9.110 438 HG LEU 56 HG LEU 56 -10.210 -6.430 -8.047 439 HD11 LEU 56 1HD1 LEU 56 -12.486 -6.767 -8.820 440 HD12 LEU 56 2HD1 LEU 56 -12.437 -6.605 -7.066 441 HD13 LEU 56 3HD1 LEU 56 -12.648 -8.199 -7.800 442 HD21 LEU 56 3HD2 LEU 56 -9.041 -7.993 -6.583 443 HD22 LEU 56 1HD2 LEU 56 -10.497 -8.984 -6.434 444 HD23 LEU 56 2HD2 LEU 56 -10.464 -7.345 -5.775 445 H LYS 57 H LYS 57 -7.950 -8.517 -11.676 446 HA LYS 57 HA LYS 57 -8.465 -11.159 -12.555 447 HB2 LYS 57 2HB LYS 57 -6.676 -9.034 -13.768 448 HB3 LYS 57 1HB LYS 57 -7.285 -10.458 -14.595 449 HG2 LYS 57 2HG LYS 57 -8.979 -8.174 -13.537 450 HG3 LYS 57 1HG LYS 57 -8.499 -8.417 -15.206 451 HD2 LYS 57 2HD LYS 57 -10.680 -9.233 -15.229 452 HD3 LYS 57 1HD LYS 57 -9.754 -10.715 -15.005 453 HE2 LYS 57 2HE LYS 57 -10.241 -10.580 -12.550 454 HE3 LYS 57 1HE LYS 57 -11.218 -9.143 -12.857 455 HZ1 LYS 57 3HZ LYS 57 -12.524 -11.193 -12.668 456 HZ2 LYS 57 1HZ LYS 57 -11.743 -11.826 -14.025 457 HZ3 LYS 57 2HZ LYS 57 -12.716 -10.457 -14.180 458 H ILE 58 H ILE 58 -5.591 -9.430 -11.505 459 HA ILE 58 HA ILE 58 -3.648 -11.468 -11.845 460 HB ILE 58 HB ILE 58 -3.629 -9.207 -9.797 461 HG12 ILE 58 2HG1 ILE 58 -2.482 -9.043 -12.611 462 HG13 ILE 58 1HG1 ILE 58 -4.107 -8.493 -12.218 463 HG21 ILE 58 1HG2 ILE 58 -1.164 -9.329 -9.956 464 HG22 ILE 58 2HG2 ILE 58 -1.297 -10.678 -11.083 465 HG23 ILE 58 3HG2 ILE 58 -1.848 -10.868 -9.419 466 HD11 ILE 58 3HD1 ILE 58 -3.182 -6.909 -10.617 467 HD12 ILE 58 1HD1 ILE 58 -2.587 -6.646 -12.257 468 HD13 ILE 58 2HD1 ILE 58 -1.546 -7.418 -11.061 469 H LEU 59 H LEU 59 -5.766 -10.503 -9.192 470 HA LEU 59 HA LEU 59 -4.767 -12.038 -7.062 471 HB2 LEU 59 2HB LEU 59 -6.404 -10.161 -6.947 472 HB3 LEU 59 1HB LEU 59 -7.616 -11.201 -7.569 473 HG LEU 59 HG LEU 59 -7.531 -12.613 -5.564 474 HD11 LEU 59 1HD1 LEU 59 -6.185 -12.001 -3.608 475 HD12 LEU 59 2HD1 LEU 59 -5.389 -10.737 -4.549 476 HD13 LEU 59 3HD1 LEU 59 -5.185 -12.436 -4.993 477 HD21 LEU 59 3HD2 LEU 59 -7.820 -9.675 -4.881 478 HD22 LEU 59 1HD2 LEU 59 -8.437 -11.024 -3.922 479 HD23 LEU 59 2HD2 LEU 59 -9.075 -10.732 -5.539 480 H GLU 60 H GLU 60 -7.157 -12.671 -9.534 481 HA GLU 60 HA GLU 60 -8.115 -15.111 -8.614 482 HB2 GLU 60 2HB GLU 60 -8.188 -13.587 -11.206 483 HB3 GLU 60 1HB GLU 60 -8.783 -15.216 -11.177 484 HG2 GLU 60 2HG GLU 60 -10.442 -14.688 -9.528 485 HG3 GLU 60 1HG GLU 60 -9.736 -13.098 -9.302 486 H LYS 61 H LYS 61 -5.108 -14.427 -9.900 487 HA LYS 61 HA LYS 61 -4.522 -17.308 -10.212 488 HB2 LYS 61 2HB LYS 61 -2.764 -16.793 -11.844 489 HB3 LYS 61 1HB LYS 61 -4.343 -16.270 -12.426 490 HG2 LYS 61 2HG LYS 61 -3.779 -13.959 -11.738 491 HG3 LYS 61 1HG LYS 61 -2.180 -14.511 -11.245 492 HD2 LYS 61 2HD LYS 61 -3.311 -14.575 -14.076 493 HD3 LYS 61 1HD LYS 61 -2.103 -13.444 -13.463 494 HE2 LYS 61 2HE LYS 61 -0.537 -15.316 -13.091 495 HE3 LYS 61 1HE LYS 61 -1.745 -16.448 -13.707 496 HZ1 LYS 61 3HZ LYS 61 -1.683 -15.230 -15.832 497 HZ2 LYS 61 1HZ LYS 61 -0.198 -15.921 -15.440 498 HZ3 LYS 61 2HZ LYS 61 -0.434 -14.263 -15.237 499 H GLN 62 H GLN 62 -4.063 -14.632 -8.292 500 HA GLN 62 HA GLN 62 -1.419 -15.261 -7.314 501 HB2 GLN 62 2HB GLN 62 -3.638 -13.614 -6.023 502 HB3 GLN 62 1HB GLN 62 -2.030 -13.776 -5.401 503 HG2 GLN 62 2HG GLN 62 -2.878 -12.372 -7.890 504 HG3 GLN 62 1HG GLN 62 -2.201 -11.657 -6.447 505 HE21 GLN 62 1HE2 GLN 62 -1.579 -13.482 -9.319 506 HE22 GLN 62 2HE2 GLN 62 0.126 -13.344 -9.296 507 H GLY 63 H GLY 63 -4.721 -16.231 -6.639 508 HA2 GLY 63 2HA GLY 63 -5.421 -18.004 -5.252 509 HA3 GLY 63 1HA GLY 63 -3.834 -18.060 -4.510 510 H GLU 64 H GLU 64 -5.130 -18.116 -2.507 511 HA GLU 64 HA GLU 64 -6.234 -15.536 -1.657 512 HB2 GLU 64 2HB GLU 64 -7.473 -17.646 -1.202 513 HB3 GLU 64 1HB GLU 64 -6.168 -18.180 -0.160 514 HG2 GLU 64 2HG GLU 64 -8.083 -17.274 1.103 515 HG3 GLU 64 1HG GLU 64 -6.608 -16.344 1.380 516 H PHE 65 H PHE 65 -5.438 -14.386 0.036 517 HA PHE 65 HA PHE 65 -2.641 -14.340 0.459 518 HB2 PHE 65 2HB PHE 65 -3.539 -12.202 0.769 519 HB3 PHE 65 1HB PHE 65 -4.946 -12.799 1.648 520 HD1 PHE 65 1HD PHE 65 -1.206 -12.739 2.098 521 HD2 PHE 65 2HD PHE 65 -5.029 -12.211 3.930 522 HE1 PHE 65 1HE PHE 65 -0.113 -12.194 4.218 523 HE2 PHE 65 2HE PHE 65 -3.922 -11.671 6.058 524 HZ PHE 65 HZ PHE 65 -1.467 -11.673 6.207 525 H LYS 66 H LYS 66 -1.409 -15.335 1.867 526 HA LYS 66 HA LYS 66 -2.481 -16.601 4.233 527 HB2 LYS 66 2HB LYS 66 -1.489 -18.793 3.574 528 HB3 LYS 66 1HB LYS 66 -2.905 -18.314 2.680 529 HG2 LYS 66 2HG LYS 66 -1.526 -19.184 1.032 530 HG3 LYS 66 1HG LYS 66 -1.234 -17.446 0.913 531 HD2 LYS 66 2HD LYS 66 0.880 -18.659 0.773 532 HD3 LYS 66 1HD LYS 66 0.819 -17.706 2.262 533 HE2 LYS 66 2HE LYS 66 0.197 -19.777 3.520 534 HE3 LYS 66 1HE LYS 66 0.344 -20.701 2.024 535 HZ1 LYS 66 3HZ LYS 66 2.536 -19.231 3.387 536 HZ2 LYS 66 1HZ LYS 66 2.685 -20.056 1.918 537 HZ3 LYS 66 2HZ LYS 66 2.331 -20.908 3.334 538 H GLU 67 H GLU 67 0.080 -14.963 2.734 539 HA GLU 67 HA GLU 67 1.684 -15.018 5.144 540 HB2 GLU 67 2HB GLU 67 2.394 -17.100 3.957 541 HB3 GLU 67 1HB GLU 67 2.762 -16.162 2.520 542 HG2 GLU 67 2HG GLU 67 4.799 -16.720 3.649 543 HG3 GLU 67 1HG GLU 67 4.551 -14.986 3.757 544 H PHE 68 H PHE 68 3.245 -13.316 5.157 545 HA PHE 68 HA PHE 68 3.416 -11.544 2.785 546 HB2 PHE 68 2HB PHE 68 3.779 -10.929 5.753 547 HB3 PHE 68 1HB PHE 68 4.343 -9.847 4.493 548 HD1 PHE 68 1HD PHE 68 2.445 -9.269 2.647 549 HD2 PHE 68 2HD PHE 68 1.705 -10.395 6.713 550 HE1 PHE 68 1HE PHE 68 0.262 -8.172 2.555 551 HE2 PHE 68 2HE PHE 68 -0.483 -9.282 6.613 552 HZ PHE 68 HZ PHE 68 -1.212 -8.170 4.538 553 H GLY 69 H GLY 69 5.450 -11.312 1.871 554 HA2 GLY 69 2HA GLY 69 7.703 -12.868 2.770 555 HA3 GLY 69 1HA GLY 69 7.653 -11.692 1.441 556 H LYS 70 H LYS 70 9.384 -10.480 1.857 557 HA LYS 70 HA LYS 70 9.736 -9.148 4.467 558 HB2 LYS 70 2HB LYS 70 11.487 -9.422 1.996 559 HB3 LYS 70 1HB LYS 70 11.891 -8.341 3.336 560 HG2 LYS 70 2HG LYS 70 11.797 -10.351 4.867 561 HG3 LYS 70 1HG LYS 70 11.629 -11.362 3.425 562 HD2 LYS 70 2HD LYS 70 13.822 -10.655 2.617 563 HD3 LYS 70 1HD LYS 70 13.969 -9.476 3.927 564 HE2 LYS 70 2HE LYS 70 13.937 -11.355 5.568 565 HE3 LYS 70 1HE LYS 70 13.895 -12.497 4.220 566 HZ1 LYS 70 3HZ LYS 70 16.065 -10.526 4.711 567 HZ2 LYS 70 1HZ LYS 70 16.026 -11.683 3.489 568 HZ3 LYS 70 2HZ LYS 70 16.133 -12.169 5.101 569 H CYS 71 H CYS 71 10.717 -6.794 3.917 570 HA CYS 71 HA CYS 71 8.990 -5.380 2.017 571 HB2 CYS 71 2HB CYS 71 9.364 -4.425 4.869 572 HB3 CYS 71 1HB CYS 71 8.282 -3.778 3.650 573 HG CYS 71 HG CYS 71 7.147 -6.655 3.762 574 H THR 72 H THR 72 10.369 -4.308 0.754 575 HA THR 72 HA THR 72 12.744 -2.952 1.644 576 HB THR 72 HB THR 72 10.973 -2.417 -0.796 577 HG1 THR 72 1HG THR 72 13.012 -4.251 -0.296 578 HG21 THR 72 3HG2 THR 72 12.400 -0.463 -0.342 579 HG22 THR 72 1HG2 THR 72 12.942 -1.304 -1.800 580 HG23 THR 72 2HG2 THR 72 13.826 -1.506 -0.286 581 H TYR 73 H TYR 73 12.799 -0.792 2.396 582 HA TYR 73 HA TYR 73 10.233 0.609 2.669 583 HB2 TYR 73 2HB TYR 73 12.600 0.894 4.558 584 HB3 TYR 73 1HB TYR 73 11.098 1.732 4.629 585 HD1 TYR 73 2HD TYR 73 8.961 0.517 5.092 586 HD2 TYR 73 1HD TYR 73 12.785 -1.337 5.512 587 HE1 TYR 73 2HE TYR 73 7.953 -1.256 6.469 588 HE2 TYR 73 1HE TYR 73 11.794 -3.111 6.869 589 HH TYR 73 HH TYR 73 8.480 -3.646 7.067 590 H LEU 74 H LEU 74 10.213 2.675 2.266 591 HA LEU 74 HA LEU 74 12.474 4.075 1.164 592 HB2 LEU 74 2HB LEU 74 11.139 4.626 -0.954 593 HB3 LEU 74 1HB LEU 74 11.967 3.124 -0.855 594 HG LEU 74 HG LEU 74 8.959 3.479 -0.667 595 HD11 LEU 74 1HD1 LEU 74 8.937 2.388 -2.844 596 HD12 LEU 74 2HD1 LEU 74 10.697 2.217 -2.803 597 HD13 LEU 74 3HD1 LEU 74 9.960 3.826 -2.907 598 HD21 LEU 74 3HD2 LEU 74 10.534 0.871 -0.715 599 HD22 LEU 74 1HD2 LEU 74 8.774 1.021 -0.824 600 HD23 LEU 74 2HD2 LEU 74 9.610 1.495 0.649 601 H GLY 75 H GLY 75 11.538 6.236 0.279 602 HA2 GLY 75 2HA GLY 75 9.509 7.277 2.136 603 HA3 GLY 75 1HA GLY 75 11.168 7.778 2.417 604 H GLN 76 H GLN 76 9.398 9.705 1.915 605 HA GLN 76 HA GLN 76 10.259 10.762 -0.658 606 HB2 GLN 76 2HB GLN 76 7.270 10.861 -0.065 607 HB3 GLN 76 1HB GLN 76 8.082 11.160 -1.585 608 HG2 GLN 76 2HG GLN 76 8.464 8.774 -1.904 609 HG3 GLN 76 1HG GLN 76 7.831 8.424 -0.301 610 HE21 GLN 76 1HE2 GLN 76 5.600 8.406 0.033 611 HE22 GLN 76 2HE2 GLN 76 4.469 8.426 -1.276 612 H ILE 77 H ILE 77 10.340 13.026 -0.595 613 HA ILE 77 HA ILE 77 8.672 14.444 1.406 614 HB ILE 77 HB ILE 77 11.486 15.336 0.585 615 HG12 ILE 77 2HG1 ILE 77 11.673 15.412 3.238 616 HG13 ILE 77 1HG1 ILE 77 10.335 14.282 3.189 617 HG21 ILE 77 1HG2 ILE 77 11.072 17.335 2.015 618 HG22 ILE 77 2HG2 ILE 77 9.397 16.821 2.231 619 HG23 ILE 77 3HG2 ILE 77 9.984 17.274 0.627 620 HD11 ILE 77 3HD1 ILE 77 12.322 13.029 3.395 621 HD12 ILE 77 1HD1 ILE 77 13.104 13.918 2.086 622 HD13 ILE 77 2HD1 ILE 77 11.769 12.818 1.727 623 H LYS 78 H LYS 78 7.168 15.330 0.312 624 HA LYS 78 HA LYS 78 7.447 15.893 -2.581 625 HB2 LYS 78 2HB LYS 78 5.841 14.117 -1.979 626 HB3 LYS 78 1HB LYS 78 5.029 15.195 -0.876 627 HG2 LYS 78 2HG LYS 78 4.831 16.584 -3.275 628 HG3 LYS 78 1HG LYS 78 4.735 14.906 -3.802 629 HD2 LYS 78 2HD LYS 78 2.497 15.691 -3.420 630 HD3 LYS 78 1HD LYS 78 2.897 14.548 -2.136 631 HE2 LYS 78 2HE LYS 78 1.768 16.406 -1.104 632 HE3 LYS 78 1HE LYS 78 3.479 16.557 -0.674 633 HZ1 LYS 78 3HZ LYS 78 2.461 18.670 -1.343 634 HZ2 LYS 78 1HZ LYS 78 2.161 18.042 -2.887 635 HZ3 LYS 78 2HZ LYS 78 3.749 18.232 -2.344 636 H ASP 79 H ASP 79 7.884 18.021 -2.692 637 HA ASP 79 HA ASP 79 7.671 20.243 -2.706 638 HB2 ASP 79 2HB ASP 79 4.877 19.725 -1.609 639 HB3 ASP 79 1HB ASP 79 5.462 21.321 -2.079 640 H ASN 80 H ASN 80 5.959 19.340 0.359 641 HA ASN 80 HA ASN 80 8.095 20.486 1.959 642 HB2 ASN 80 2HB ASN 80 5.244 21.495 2.039 643 HB3 ASN 80 1HB ASN 80 6.350 21.741 3.367 644 HD21 ASN 80 1HD2 ASN 80 8.644 22.283 1.599 645 HD22 ASN 80 2HD2 ASN 80 8.356 23.857 0.972 646 H LYS 81 H LYS 81 5.710 18.227 1.365 647 HA LYS 81 HA LYS 81 5.176 17.470 4.128 648 HB2 LYS 81 2HB LYS 81 3.412 17.534 2.267 649 HB3 LYS 81 1HB LYS 81 4.196 16.145 1.589 650 HG2 LYS 81 2HG LYS 81 2.260 15.513 2.891 651 HG3 LYS 81 1HG LYS 81 3.756 14.910 3.563 652 HD2 LYS 81 2HD LYS 81 3.735 16.762 5.247 653 HD3 LYS 81 1HD LYS 81 2.184 17.291 4.588 654 HE2 LYS 81 2HE LYS 81 1.176 15.137 5.251 655 HE3 LYS 81 1HE LYS 81 2.733 14.611 5.902 656 HZ1 LYS 81 3HZ LYS 81 1.216 16.983 6.856 657 HZ2 LYS 81 1HZ LYS 81 2.642 16.373 7.516 658 HZ3 LYS 81 2HZ LYS 81 1.219 15.471 7.610 659 H LYS 82 H LYS 82 5.438 15.149 4.687 660 HA LYS 82 HA LYS 82 7.720 13.838 3.321 661 HB2 LYS 82 2HB LYS 82 7.255 13.949 6.327 662 HB3 LYS 82 1HB LYS 82 8.596 13.143 5.518 663 HG2 LYS 82 2HG LYS 82 9.456 15.297 4.744 664 HG3 LYS 82 1HG LYS 82 8.071 16.137 5.449 665 HD2 LYS 82 2HD LYS 82 8.793 15.489 7.706 666 HD3 LYS 82 1HD LYS 82 10.133 14.550 7.038 667 HE2 LYS 82 2HE LYS 82 11.098 16.630 6.104 668 HE3 LYS 82 1HE LYS 82 9.776 17.558 6.812 669 HZ1 LYS 82 3HZ LYS 82 10.514 16.954 8.988 670 HZ2 LYS 82 1HZ LYS 82 11.832 17.587 8.137 671 HZ3 LYS 82 2HZ LYS 82 11.701 15.921 8.371 672 H TYR 83 H TYR 83 7.645 11.593 3.303 673 HA TYR 83 HA TYR 83 5.090 10.263 3.878 674 HB2 TYR 83 2HB TYR 83 6.409 10.476 1.146 675 HB3 TYR 83 1HB TYR 83 5.119 9.350 1.506 676 HD1 TYR 83 1HD TYR 83 5.892 13.013 1.131 677 HD2 TYR 83 2HD TYR 83 2.858 10.050 1.444 678 HE1 TYR 83 1HE TYR 83 4.206 14.653 0.453 679 HE2 TYR 83 2HE TYR 83 1.183 11.699 0.827 680 HH TYR 83 HH TYR 83 0.848 14.085 0.814 681 H GLY 84 H GLY 84 5.221 8.023 3.994 682 HA2 GLY 84 2HA GLY 84 7.920 6.796 4.143 683 HA3 GLY 84 1HA GLY 84 6.612 6.446 5.268 684 H GLY 85 H GLY 85 8.110 5.444 2.456 685 HA2 GLY 85 2HA GLY 85 5.837 3.959 1.366 686 HA3 GLY 85 1HA GLY 85 7.407 4.192 0.612 687 H VAL 86 H VAL 86 6.273 1.757 0.658 688 HA VAL 86 HA VAL 86 8.172 0.081 1.945 689 HB VAL 86 HB VAL 86 6.790 0.331 3.884 690 HG11 VAL 86 1HG1 VAL 86 4.377 -0.110 3.979 691 HG12 VAL 86 2HG1 VAL 86 4.353 -0.402 2.237 692 HG13 VAL 86 3HG1 VAL 86 4.740 1.204 2.856 693 HG21 VAL 86 3HG2 VAL 86 7.594 -1.941 3.513 694 HG22 VAL 86 1HG2 VAL 86 6.132 -2.336 2.604 695 HG23 VAL 86 2HG2 VAL 86 6.030 -1.970 4.329 696 H ILE 87 H ILE 87 8.614 -1.218 0.309 697 HA ILE 87 HA ILE 87 6.533 -2.238 -1.494 698 HB ILE 87 HB ILE 87 9.577 -2.367 -1.666 699 HG12 ILE 87 2HG1 ILE 87 7.564 -1.067 -3.549 700 HG13 ILE 87 1HG1 ILE 87 8.405 -0.186 -2.291 701 HG21 ILE 87 1HG2 ILE 87 8.652 -4.479 -2.529 702 HG22 ILE 87 2HG2 ILE 87 9.290 -3.495 -3.848 703 HG23 ILE 87 3HG2 ILE 87 7.547 -3.580 -3.575 704 HD11 ILE 87 3HD1 ILE 87 9.451 0.190 -4.418 705 HD12 ILE 87 1HD1 ILE 87 9.669 -1.544 -4.675 706 HD13 ILE 87 2HD1 ILE 87 10.549 -0.719 -3.384 707 H ILE 88 H ILE 88 5.490 -3.603 -0.184 708 HA ILE 88 HA ILE 88 6.965 -5.628 1.378 709 HB ILE 88 HB ILE 88 5.603 -4.341 2.838 710 HG12 ILE 88 2HG1 ILE 88 4.022 -6.887 2.245 711 HG13 ILE 88 1HG1 ILE 88 5.460 -6.780 3.253 712 HG21 ILE 88 1HG2 ILE 88 3.230 -4.685 0.991 713 HG22 ILE 88 2HG2 ILE 88 4.188 -3.214 1.184 714 HG23 ILE 88 3HG2 ILE 88 3.229 -3.825 2.536 715 HD11 ILE 88 3HD1 ILE 88 2.789 -5.502 3.818 716 HD12 ILE 88 1HD1 ILE 88 4.241 -5.329 4.811 717 HD13 ILE 88 2HD1 ILE 88 3.488 -6.912 4.617 718 H VAL 89 H VAL 89 7.096 -7.545 0.436 719 HA VAL 89 HA VAL 89 5.259 -8.521 -1.527 720 HB VAL 89 HB VAL 89 7.168 -9.646 -1.990 721 HG11 VAL 89 1HG1 VAL 89 8.019 -9.738 0.847 722 HG12 VAL 89 2HG1 VAL 89 8.522 -8.566 -0.369 723 HG13 VAL 89 3HG1 VAL 89 8.971 -10.266 -0.543 724 HG21 VAL 89 3HG2 VAL 89 5.642 -11.500 -1.563 725 HG22 VAL 89 1HG2 VAL 89 6.240 -11.606 0.093 726 HG23 VAL 89 2HG2 VAL 89 7.317 -11.959 -1.260 727 H VAL 90 H VAL 90 3.691 -9.915 -1.377 728 HA VAL 90 HA VAL 90 2.897 -11.084 1.195 729 HB VAL 90 HB VAL 90 1.328 -9.302 0.845 730 HG11 VAL 90 1HG1 VAL 90 0.904 -10.208 -1.938 731 HG12 VAL 90 2HG1 VAL 90 1.682 -8.721 -1.387 732 HG13 VAL 90 3HG1 VAL 90 -0.039 -8.978 -1.090 733 HG21 VAL 90 3HG2 VAL 90 0.340 -11.409 1.623 734 HG22 VAL 90 1HG2 VAL 90 -0.036 -11.841 -0.048 735 HG23 VAL 90 2HG2 VAL 90 -0.818 -10.444 0.709 736 H LYS 91 H LYS 91 3.214 -13.146 0.975 737 HA LYS 91 HA LYS 91 3.231 -14.492 -1.603 738 HB2 LYS 91 2HB LYS 91 3.743 -15.583 1.200 739 HB3 LYS 91 1HB LYS 91 4.100 -16.404 -0.316 740 HG2 LYS 91 2HG LYS 91 5.800 -14.713 -0.856 741 HG3 LYS 91 1HG LYS 91 5.410 -13.822 0.618 742 HD2 LYS 91 2HD LYS 91 6.236 -15.664 2.002 743 HD3 LYS 91 1HD LYS 91 6.500 -16.670 0.573 744 HE2 LYS 91 2HE LYS 91 8.272 -15.207 -0.197 745 HE3 LYS 91 1HE LYS 91 7.929 -14.039 1.076 746 HZ1 LYS 91 3HZ LYS 91 8.941 -16.801 1.493 747 HZ2 LYS 91 1HZ LYS 91 8.612 -15.684 2.715 748 HZ3 LYS 91 2HZ LYS 91 9.855 -15.383 1.610 749 H TYR 92 H TYR 92 1.159 -14.659 -2.310 750 HA TYR 92 HA TYR 92 -1.041 -15.680 -0.719 751 HB2 TYR 92 2HB TYR 92 -0.727 -15.247 -3.734 752 HB3 TYR 92 1HB TYR 92 -2.211 -15.792 -2.974 753 HD1 TYR 92 2HD TYR 92 0.143 -12.908 -3.142 754 HD2 TYR 92 1HD TYR 92 -3.771 -14.213 -2.138 755 HE1 TYR 92 2HE TYR 92 -0.554 -10.597 -2.800 756 HE2 TYR 92 1HE TYR 92 -4.456 -11.905 -1.799 757 HH TYR 92 HH TYR 92 -2.775 -9.297 -2.910 758 H GLU 93 H GLU 93 -2.269 -17.563 -2.188 759 HA GLU 93 HA GLU 93 -1.022 -19.970 -1.559 760 HB2 GLU 93 2HB GLU 93 -3.526 -19.425 -1.920 761 HB3 GLU 93 1HB GLU 93 -3.210 -19.630 -3.638 762 HG2 GLU 93 2HG GLU 93 -2.488 -21.947 -3.242 763 HG3 GLU 93 1HG GLU 93 -2.773 -21.739 -1.516 764 H GLU 94 H GLU 94 -0.820 -18.038 -4.450 765 HA GLU 94 HA GLU 94 0.799 -20.089 -5.866 766 HB2 GLU 94 2HB GLU 94 -1.086 -18.072 -7.174 767 HB3 GLU 94 1HB GLU 94 -0.151 -19.324 -7.996 768 HG2 GLU 94 2HG GLU 94 -1.494 -21.075 -6.975 769 HG3 GLU 94 1HG GLU 94 -2.350 -19.892 -5.980 770 H GLY 95 H GLY 95 0.069 -16.552 -5.712 771 HA2 GLY 95 2HA GLY 95 2.738 -15.955 -6.905 772 HA3 GLY 95 1HA GLY 95 1.271 -15.049 -7.241 773 H ASN 96 H ASN 96 3.862 -14.166 -6.180 774 HA ASN 96 HA ASN 96 3.153 -13.048 -3.540 775 HB2 ASN 96 2HB ASN 96 5.786 -12.803 -5.063 776 HB3 ASN 96 1HB ASN 96 5.489 -12.279 -3.414 777 HD21 ASN 96 1HD2 ASN 96 7.201 -13.516 -2.645 778 HD22 ASN 96 2HD2 ASN 96 7.110 -15.233 -2.515 779 H VAL 97 H VAL 97 2.871 -10.843 -3.278 780 HA VAL 97 HA VAL 97 3.234 -9.128 -5.673 781 HB VAL 97 HB VAL 97 1.193 -8.609 -3.483 782 HG11 VAL 97 1HG1 VAL 97 1.579 -7.311 -6.188 783 HG12 VAL 97 2HG1 VAL 97 1.923 -6.592 -4.611 784 HG13 VAL 97 3HG1 VAL 97 0.260 -6.962 -5.068 785 HG21 VAL 97 3HG2 VAL 97 -0.566 -9.281 -5.051 786 HG22 VAL 97 1HG2 VAL 97 0.495 -10.620 -4.609 787 HG23 VAL 97 2HG2 VAL 97 0.666 -9.838 -6.192 788 H ASN 98 H ASN 98 4.985 -7.926 -5.295 789 HA ASN 98 HA ASN 98 5.698 -6.895 -2.655 790 HB2 ASN 98 2HB ASN 98 6.968 -6.471 -5.412 791 HB3 ASN 98 1HB ASN 98 7.610 -5.819 -3.914 792 HD21 ASN 98 1HD2 ASN 98 6.990 -8.770 -5.706 793 HD22 ASN 98 2HD2 ASN 98 8.122 -9.750 -4.842 794 H TYR 99 H TYR 99 3.591 -5.778 -2.431 795 HA TYR 99 HA TYR 99 2.635 -3.711 -4.095 796 HB2 TYR 99 2HB TYR 99 2.302 -4.219 -1.110 797 HB3 TYR 99 1HB TYR 99 1.548 -2.841 -1.888 798 HD1 TYR 99 1HD TYR 99 -0.118 -3.282 -3.800 799 HD2 TYR 99 2HD TYR 99 1.216 -6.320 -1.121 800 HE1 TYR 99 1HE TYR 99 -2.126 -4.610 -4.290 801 HE2 TYR 99 2HE TYR 99 -0.775 -7.637 -1.626 802 HH TYR 99 HH TYR 99 -3.122 -7.157 -2.414 803 H SER 100 H SER 100 3.668 -1.836 -4.584 804 HA SER 100 HA SER 100 5.492 -0.522 -2.721 805 HB2 SER 100 2HB SER 100 5.977 -0.498 -5.142 806 HB3 SER 100 1HB SER 100 4.496 0.387 -5.448 807 HG SER 100 HG SER 100 5.333 2.155 -4.417 808 H LEU 101 H LEU 101 3.935 -0.305 -1.033 809 HA LEU 101 HA LEU 101 1.762 1.640 -1.313 810 HB2 LEU 101 2HB LEU 101 2.632 0.054 1.122 811 HB3 LEU 101 1HB LEU 101 1.222 1.086 1.052 812 HG LEU 101 HG LEU 101 1.695 -1.498 -0.407 813 HD11 LEU 101 1HD1 LEU 101 -0.410 -2.191 0.654 814 HD12 LEU 101 2HD1 LEU 101 -0.475 -0.635 1.488 815 HD13 LEU 101 3HD1 LEU 101 0.833 -1.772 1.828 816 HD21 LEU 101 3HD2 LEU 101 0.747 0.012 -2.031 817 HD22 LEU 101 1HD2 LEU 101 -0.558 0.414 -0.906 818 HD23 LEU 101 2HD2 LEU 101 -0.411 -1.225 -1.557 819 H ALA 102 H ALA 102 1.760 3.627 -0.467 820 HA ALA 102 HA ALA 102 3.876 4.616 1.273 821 HB1 ALA 102 1HB ALA 102 4.999 4.741 -0.908 822 HB2 ALA 102 2HB ALA 102 4.681 6.359 -0.283 823 HB3 ALA 102 3HB ALA 102 3.668 5.693 -1.568 824 H TYR 103 H TYR 103 3.168 6.261 2.447 825 HA TYR 103 HA TYR 103 0.778 7.818 1.816 826 HB2 TYR 103 2HB TYR 103 0.076 7.302 4.327 827 HB3 TYR 103 1HB TYR 103 -0.391 6.235 3.024 828 HD1 TYR 103 2HD TYR 103 2.326 6.616 5.610 829 HD2 TYR 103 1HD TYR 103 -0.033 3.960 3.234 830 HE1 TYR 103 2HE TYR 103 3.283 4.680 6.794 831 HE2 TYR 103 1HE TYR 103 0.907 2.041 4.403 832 HH TYR 103 HH TYR 103 2.883 1.482 5.705 833 H ASP 104 H ASP 104 0.541 9.633 3.529 834 HA ASP 104 HA ASP 104 3.158 10.795 3.966 835 HB2 ASP 104 2HB ASP 104 1.998 12.770 4.758 836 HB3 ASP 104 1HB ASP 104 1.266 12.206 3.268 837 H GLU 105 H GLU 105 3.177 12.102 6.310 838 HA GLU 105 HA GLU 105 3.778 10.198 8.317 839 HB2 GLU 105 2HB GLU 105 3.295 13.192 8.510 840 HB3 GLU 105 1HB GLU 105 3.978 12.217 9.807 841 HG2 GLU 105 2HG GLU 105 6.009 11.898 8.694 842 HG3 GLU 105 1HG GLU 105 5.326 12.226 7.107 843 H ASP 106 H ASP 106 0.830 12.028 7.605 844 HA ASP 106 HA ASP 106 -0.585 11.253 10.022 845 HB2 ASP 106 2HB ASP 106 -1.002 13.378 8.642 846 HB3 ASP 106 1HB ASP 106 -1.776 12.362 7.441 847 H MET 107 H MET 107 0.232 9.753 7.079 848 HA MET 107 HA MET 107 0.216 7.578 6.550 849 HB2 MET 107 2HB MET 107 -1.451 7.071 9.053 850 HB3 MET 107 1HB MET 107 -0.624 5.846 8.095 851 HG2 MET 107 2HG MET 107 1.553 7.002 8.647 852 HG3 MET 107 1HG MET 107 0.661 8.036 9.757 853 HE1 MET 107 3HE MET 107 0.692 4.182 8.871 854 HE2 MET 107 1HE MET 107 1.517 3.549 10.295 855 HE3 MET 107 2HE MET 107 2.370 4.625 9.188 856 H ASN 108 H ASN 108 -1.785 9.475 5.671 857 HA ASN 108 HA ASN 108 -4.074 7.858 4.877 858 HB2 ASN 108 2HB ASN 108 -3.316 10.540 3.634 859 HB3 ASN 108 1HB ASN 108 -4.899 9.787 3.713 860 HD21 ASN 108 1HD2 ASN 108 -2.596 11.745 5.309 861 HD22 ASN 108 2HD2 ASN 108 -3.551 12.156 6.659 862 H LEU 109 H LEU 109 -3.913 6.427 3.140 863 HA LEU 109 HA LEU 109 -1.496 6.077 1.822 864 HB2 LEU 109 2HB LEU 109 -4.032 4.700 1.742 865 HB3 LEU 109 1HB LEU 109 -3.433 4.865 0.088 866 HG LEU 109 HG LEU 109 -1.938 3.564 2.423 867 HD11 LEU 109 1HD1 LEU 109 -3.625 2.140 1.404 868 HD12 LEU 109 2HD1 LEU 109 -1.977 1.577 1.088 869 HD13 LEU 109 3HD1 LEU 109 -2.888 2.417 -0.179 870 HD21 LEU 109 3HD2 LEU 109 -0.344 4.794 1.075 871 HD22 LEU 109 1HD2 LEU 109 -0.999 4.083 -0.409 872 HD23 LEU 109 2HD2 LEU 109 -0.163 3.067 0.782 873 H VAL 110 H VAL 110 -0.727 6.610 -0.060 874 HA VAL 110 HA VAL 110 -2.003 8.823 -1.555 875 HB VAL 110 HB VAL 110 0.051 9.092 0.331 876 HG11 VAL 110 1HG1 VAL 110 1.708 7.960 -1.031 877 HG12 VAL 110 2HG1 VAL 110 2.131 9.660 -0.817 878 HG13 VAL 110 3HG1 VAL 110 1.449 9.106 -2.348 879 HG21 VAL 110 3HG2 VAL 110 -1.402 10.868 -0.541 880 HG22 VAL 110 1HG2 VAL 110 -0.380 10.980 -1.978 881 HG23 VAL 110 2HG2 VAL 110 0.288 11.339 -0.380 882 H SER 111 H SER 111 -0.300 5.913 -1.489 883 HA SER 111 HA SER 111 -0.101 5.677 -4.377 884 HB2 SER 111 2HB SER 111 2.103 6.621 -3.745 885 HB3 SER 111 1HB SER 111 2.297 5.409 -2.502 886 HG SER 111 HG SER 111 2.632 3.879 -4.005 887 H PHE 112 H PHE 112 -1.509 3.955 -4.346 888 HA PHE 112 HA PHE 112 -0.598 1.567 -2.867 889 HB2 PHE 112 2HB PHE 112 -2.799 1.938 -2.002 890 HB3 PHE 112 1HB PHE 112 -3.468 2.337 -3.572 891 HD1 PHE 112 1HD PHE 112 -3.917 0.452 -5.241 892 HD2 PHE 112 2HD PHE 112 -2.496 -0.390 -1.291 893 HE1 PHE 112 1HE PHE 112 -4.543 -1.910 -5.511 894 HE2 PHE 112 2HE PHE 112 -3.122 -2.751 -1.579 895 HZ PHE 112 HZ PHE 112 -4.141 -3.513 -3.690 896 H THR 113 H THR 113 0.529 0.499 -4.204 897 HA THR 113 HA THR 113 -0.431 -0.175 -6.869 898 HB THR 113 HB THR 113 2.460 0.770 -6.615 899 HG1 THR 113 1HG THR 113 0.164 2.418 -6.993 900 HG21 THR 113 3HG2 THR 113 0.501 0.850 -8.923 901 HG22 THR 113 1HG2 THR 113 1.751 -0.385 -8.692 902 HG23 THR 113 2HG2 THR 113 2.209 1.294 -8.994 903 H MET 114 H MET 114 1.090 -1.915 -7.762 904 HA MET 114 HA MET 114 1.942 -3.706 -5.562 905 HB2 MET 114 2HB MET 114 1.278 -4.436 -8.415 906 HB3 MET 114 1HB MET 114 1.520 -5.524 -7.084 907 HG2 MET 114 2HG MET 114 -0.577 -4.973 -6.119 908 HG3 MET 114 1HG MET 114 -0.761 -3.553 -7.130 909 HE1 MET 114 3HE MET 114 -0.624 -7.506 -7.217 910 HE2 MET 114 1HE MET 114 0.530 -6.993 -8.448 911 HE3 MET 114 2HE MET 114 -0.973 -7.785 -8.922 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 11.507 16.980 -3.883 2 H2 GLY 1 2HT GLY 1 13.014 17.644 -4.248 3 H3 GLY 1 3HT GLY 1 12.022 18.387 -3.108 4 HA2 GLY 1 1HA GLY 1 13.821 17.187 -2.038 5 HA3 GLY 1 2HA GLY 1 12.244 16.522 -1.616 6 H GLU 2 H GLU 2 14.136 14.806 -1.146 7 HA GLU 2 HA GLU 2 14.891 13.216 -3.468 8 HB2 GLU 2 2HB GLU 2 16.525 13.619 -1.624 9 HB3 GLU 2 1HB GLU 2 15.455 12.792 -0.502 10 HG2 GLU 2 2HG GLU 2 17.331 11.353 -1.185 11 HG3 GLU 2 1HG GLU 2 15.779 10.676 -1.676 12 H ILE 3 H ILE 3 14.071 11.225 -3.979 13 HA ILE 3 HA ILE 3 11.946 10.034 -2.295 14 HB ILE 3 HB ILE 3 12.748 9.211 -5.150 15 HG12 ILE 3 2HG1 ILE 3 11.934 11.554 -5.194 16 HG13 ILE 3 1HG1 ILE 3 10.814 10.482 -6.008 17 HG21 ILE 3 1HG2 ILE 3 10.558 8.062 -5.214 18 HG22 ILE 3 2HG2 ILE 3 10.250 8.552 -3.547 19 HG23 ILE 3 3HG2 ILE 3 11.578 7.449 -3.907 20 HD11 ILE 3 3HD1 ILE 3 9.640 12.139 -4.725 21 HD12 ILE 3 1HD1 ILE 3 10.493 11.664 -3.258 22 HD13 ILE 3 2HD1 ILE 3 9.356 10.547 -4.021 23 H LEU 4 H LEU 4 13.023 8.869 -0.776 24 HA LEU 4 HA LEU 4 15.631 7.798 -1.217 25 HB2 LEU 4 2HB LEU 4 14.035 7.429 1.326 26 HB3 LEU 4 1HB LEU 4 15.777 7.381 1.118 27 HG LEU 4 HG LEU 4 15.385 9.901 0.314 28 HD11 LEU 4 1HD1 LEU 4 13.665 11.032 1.549 29 HD12 LEU 4 2HD1 LEU 4 13.070 9.474 2.124 30 HD13 LEU 4 3HD1 LEU 4 13.045 9.849 0.399 31 HD21 LEU 4 3HD2 LEU 4 16.850 9.302 2.171 32 HD22 LEU 4 1HD2 LEU 4 15.443 9.150 3.227 33 HD23 LEU 4 2HD2 LEU 4 15.881 10.723 2.555 34 H LYS 5 H LYS 5 16.171 5.643 -0.300 35 HA LYS 5 HA LYS 5 14.311 3.505 -1.063 36 HB2 LYS 5 2HB LYS 5 17.328 3.455 -0.870 37 HB3 LYS 5 1HB LYS 5 16.300 2.174 -1.460 38 HG2 LYS 5 2HG LYS 5 16.899 4.821 -2.773 39 HG3 LYS 5 1HG LYS 5 17.234 3.203 -3.369 40 HD2 LYS 5 2HD LYS 5 14.871 2.786 -3.769 41 HD3 LYS 5 1HD LYS 5 14.443 4.320 -2.998 42 HE2 LYS 5 2HE LYS 5 16.036 4.032 -5.575 43 HE3 LYS 5 1HE LYS 5 14.332 4.475 -5.457 44 HZ1 LYS 5 3HZ LYS 5 14.936 6.476 -4.278 45 HZ2 LYS 5 1HZ LYS 5 15.786 6.402 -5.733 46 HZ3 LYS 5 2HZ LYS 5 16.569 6.043 -4.287 47 H GLU 6 H GLU 6 14.254 4.904 1.444 48 HA GLU 6 HA GLU 6 14.186 2.804 3.361 49 HB2 GLU 6 2HB GLU 6 15.908 3.543 4.931 50 HB3 GLU 6 1HB GLU 6 16.669 3.193 3.381 51 HG2 GLU 6 2HG GLU 6 16.744 5.598 2.864 52 HG3 GLU 6 1HG GLU 6 15.954 5.966 4.392 53 H LEU 7 H LEU 7 13.637 3.791 5.597 54 HA LEU 7 HA LEU 7 11.856 6.088 5.246 55 HB2 LEU 7 2HB LEU 7 12.264 4.239 7.623 56 HB3 LEU 7 1HB LEU 7 11.085 5.545 7.564 57 HG LEU 7 HG LEU 7 11.097 2.962 5.988 58 HD11 LEU 7 1HD1 LEU 7 10.255 2.768 8.231 59 HD12 LEU 7 2HD1 LEU 7 8.966 2.551 7.055 60 HD13 LEU 7 3HD1 LEU 7 9.095 4.073 7.951 61 HD21 LEU 7 3HD2 LEU 7 9.202 5.294 5.579 62 HD22 LEU 7 1HD2 LEU 7 9.043 3.679 4.870 63 HD23 LEU 7 2HD2 LEU 7 10.412 4.693 4.435 64 HA PRO 8 HA PRO 8 15.077 8.633 7.361 65 HB2 PRO 8 2HB PRO 8 14.140 11.047 6.495 66 HB3 PRO 8 1HB PRO 8 15.136 10.012 5.450 67 HG2 PRO 8 2HG PRO 8 12.145 10.321 5.483 68 HG3 PRO 8 1HG PRO 8 13.258 10.309 4.094 69 HD2 PRO 8 2HD PRO 8 11.850 8.087 4.833 70 HD3 PRO 8 1HD PRO 8 13.469 7.987 4.101 71 H GLU 9 H GLU 9 14.426 10.836 8.681 72 HA GLU 9 HA GLU 9 12.704 9.996 10.773 73 HB2 GLU 9 2HB GLU 9 13.978 12.703 10.214 74 HB3 GLU 9 1HB GLU 9 13.048 12.348 11.675 75 HG2 GLU 9 2HG GLU 9 14.623 10.523 12.211 76 HG3 GLU 9 1HG GLU 9 15.569 10.934 10.785 77 H GLY 10 H GLY 10 10.642 10.405 11.199 78 HA2 GLY 10 2HA GLY 10 8.717 11.982 10.896 79 HA3 GLY 10 1HA GLY 10 9.058 11.852 9.178 80 H PHE 11 H PHE 11 9.772 8.889 9.720 81 HA PHE 11 HA PHE 11 7.005 7.799 9.872 82 HB2 PHE 11 2HB PHE 11 9.078 6.460 8.131 83 HB3 PHE 11 1HB PHE 11 7.344 6.427 7.979 84 HD1 PHE 11 2HD PHE 11 6.321 8.950 7.488 85 HD2 PHE 11 1HD PHE 11 10.219 7.545 6.493 86 HE1 PHE 11 2HE PHE 11 6.502 10.675 5.763 87 HE2 PHE 11 1HE PHE 11 10.395 9.279 4.767 88 HZ PHE 11 HZ PHE 11 8.549 10.829 4.404 89 H ASP 12 H ASP 12 7.295 5.212 10.013 90 HA ASP 12 HA ASP 12 9.505 4.382 11.773 91 HB2 ASP 12 2HB ASP 12 7.571 5.170 13.243 92 HB3 ASP 12 1HB ASP 12 6.578 3.926 12.540 93 H LYS 13 H LYS 13 10.076 2.247 11.358 94 HA LYS 13 HA LYS 13 9.202 0.984 9.041 95 HB2 LYS 13 2HB LYS 13 10.742 -0.120 11.415 96 HB3 LYS 13 1HB LYS 13 10.547 -0.944 9.885 97 HG2 LYS 13 2HG LYS 13 11.692 0.965 8.737 98 HG3 LYS 13 1HG LYS 13 11.969 1.686 10.321 99 HD2 LYS 13 2HD LYS 13 14.000 0.555 9.674 100 HD3 LYS 13 1HD LYS 13 13.259 -0.389 10.967 101 HE2 LYS 13 2HE LYS 13 12.353 -1.957 9.306 102 HE3 LYS 13 1HE LYS 13 13.050 -0.986 8.005 103 HZ1 LYS 13 3HZ LYS 13 15.247 -1.476 8.877 104 HZ2 LYS 13 1HZ LYS 13 14.419 -2.903 8.527 105 HZ3 LYS 13 2HZ LYS 13 14.584 -2.394 10.126 106 H GLU 14 H GLU 14 8.324 0.387 12.433 107 HA GLU 14 HA GLU 14 6.825 -2.013 11.769 108 HB2 GLU 14 2HB GLU 14 7.199 -0.508 14.385 109 HB3 GLU 14 1HB GLU 14 6.131 -1.902 14.244 110 HG2 GLU 14 2HG GLU 14 9.130 -1.846 13.829 111 HG3 GLU 14 1HG GLU 14 8.239 -2.662 15.115 112 H THR 15 H THR 15 6.069 1.345 12.555 113 HA THR 15 HA THR 15 3.263 0.984 12.837 114 HB THR 15 HB THR 15 4.696 3.590 12.088 115 HG1 THR 15 1HG THR 15 5.608 2.521 13.962 116 HG21 THR 15 3HG2 THR 15 2.157 3.122 13.720 117 HG22 THR 15 1HG2 THR 15 2.176 3.636 12.031 118 HG23 THR 15 2HG2 THR 15 2.855 4.682 13.276 119 H VAL 16 H VAL 16 5.361 1.855 10.132 120 HA VAL 16 HA VAL 16 3.308 2.387 8.212 121 HB VAL 16 HB VAL 16 6.333 2.058 8.008 122 HG11 VAL 16 1HG1 VAL 16 6.219 2.848 5.646 123 HG12 VAL 16 2HG1 VAL 16 4.468 2.623 5.682 124 HG13 VAL 16 3HG1 VAL 16 5.542 1.234 5.876 125 HG21 VAL 16 3HG2 VAL 16 6.291 4.484 7.495 126 HG22 VAL 16 1HG2 VAL 16 5.517 4.141 9.046 127 HG23 VAL 16 2HG2 VAL 16 4.528 4.482 7.624 128 H ARG 17 H ARG 17 5.394 -0.429 8.936 129 HA ARG 17 HA ARG 17 4.679 -2.052 6.729 130 HB2 ARG 17 2HB ARG 17 6.629 -2.505 8.243 131 HB3 ARG 17 1HB ARG 17 5.516 -2.981 9.507 132 HG2 ARG 17 2HG ARG 17 4.895 -4.540 7.159 133 HG3 ARG 17 1HG ARG 17 6.644 -4.567 7.369 134 HD2 ARG 17 2HD ARG 17 4.611 -5.324 9.486 135 HD3 ARG 17 1HD ARG 17 5.507 -6.436 8.467 136 HE ARG 17 HE ARG 17 6.947 -4.626 10.293 137 HH11 ARG 17 1HH1 ARG 17 6.140 -7.929 9.322 138 HH12 ARG 17 2HH1 ARG 17 7.327 -8.647 10.368 139 HH21 ARG 17 1HH2 ARG 17 8.463 -5.606 11.679 140 HH22 ARG 17 2HH2 ARG 17 8.640 -7.333 11.698 141 H LYS 18 H LYS 18 3.442 -1.994 10.082 142 HA LYS 18 HA LYS 18 1.603 -4.064 9.921 143 HB2 LYS 18 2HB LYS 18 2.138 -1.763 11.743 144 HB3 LYS 18 1HB LYS 18 0.687 -2.677 11.978 145 HG2 LYS 18 2HG LYS 18 1.955 -4.717 12.383 146 HG3 LYS 18 1HG LYS 18 3.461 -3.886 11.979 147 HD2 LYS 18 2HD LYS 18 3.293 -2.480 13.946 148 HD3 LYS 18 1HD LYS 18 1.667 -3.069 14.298 149 HE2 LYS 18 2HE LYS 18 3.410 -4.055 15.783 150 HE3 LYS 18 1HE LYS 18 2.536 -5.272 14.853 151 HZ1 LYS 18 3HZ LYS 18 5.230 -4.205 14.176 152 HZ2 LYS 18 1HZ LYS 18 4.395 -5.410 13.334 153 HZ3 LYS 18 2HZ LYS 18 4.916 -5.691 14.914 154 H GLN 19 H GLN 19 1.229 -0.554 9.509 155 HA GLN 19 HA GLN 19 -1.572 -0.463 9.182 156 HB2 GLN 19 2HB GLN 19 -0.213 1.538 9.635 157 HB3 GLN 19 1HB GLN 19 0.581 1.380 8.077 158 HG2 GLN 19 2HG GLN 19 -1.085 3.182 8.067 159 HG3 GLN 19 1HG GLN 19 -1.508 1.920 6.914 160 HE21 GLN 19 1HE2 GLN 19 -3.397 0.753 7.226 161 HE22 GLN 19 2HE2 GLN 19 -4.566 1.163 8.428 162 H ALA 20 H ALA 20 1.026 -1.220 6.901 163 HA ALA 20 HA ALA 20 -0.593 -0.762 4.530 164 HB1 ALA 20 1HB ALA 20 1.408 -1.208 3.288 165 HB2 ALA 20 2HB ALA 20 2.211 -1.916 4.697 166 HB3 ALA 20 3HB ALA 20 1.852 -0.189 4.652 167 H MET 21 H MET 21 0.513 -3.295 6.558 168 HA MET 21 HA MET 21 0.047 -5.578 5.104 169 HB2 MET 21 2HB MET 21 1.368 -5.846 6.975 170 HB3 MET 21 1HB MET 21 0.538 -4.637 7.903 171 HG2 MET 21 2HG MET 21 -1.237 -6.184 8.308 172 HG3 MET 21 1HG MET 21 -0.357 -7.427 7.443 173 HE1 MET 21 3HE MET 21 2.899 -7.624 9.792 174 HE2 MET 21 1HE MET 21 2.684 -6.528 8.427 175 HE3 MET 21 2HE MET 21 2.194 -8.219 8.293 176 H GLU 22 H GLU 22 -1.913 -3.720 7.367 177 HA GLU 22 HA GLU 22 -4.402 -5.039 7.119 178 HB2 GLU 22 2HB GLU 22 -3.954 -2.049 7.554 179 HB3 GLU 22 1HB GLU 22 -5.430 -2.938 7.920 180 HG2 GLU 22 2HG GLU 22 -2.749 -3.301 9.281 181 HG3 GLU 22 1HG GLU 22 -4.132 -2.430 9.938 182 H ASP 23 H ASP 23 -3.091 -2.226 5.390 183 HA ASP 23 HA ASP 23 -5.237 -1.540 3.766 184 HB2 ASP 23 2HB ASP 23 -2.246 -1.169 3.408 185 HB3 ASP 23 1HB ASP 23 -3.406 -0.377 2.357 186 H ILE 24 H ILE 24 -2.771 -3.957 3.259 187 HA ILE 24 HA ILE 24 -3.159 -4.731 0.589 188 HB ILE 24 HB ILE 24 -2.309 -6.255 3.088 189 HG12 ILE 24 2HG1 ILE 24 -0.695 -5.318 0.689 190 HG13 ILE 24 1HG1 ILE 24 -0.809 -4.462 2.212 191 HG21 ILE 24 1HG2 ILE 24 -3.255 -7.959 1.625 192 HG22 ILE 24 2HG2 ILE 24 -1.500 -8.118 1.660 193 HG23 ILE 24 3HG2 ILE 24 -2.290 -7.374 0.270 194 HD11 ILE 24 3HD1 ILE 24 1.265 -5.701 1.987 195 HD12 ILE 24 1HD1 ILE 24 0.365 -7.206 1.860 196 HD13 ILE 24 2HD1 ILE 24 0.311 -6.269 3.354 197 H GLU 25 H GLU 25 -4.697 -5.849 3.573 198 HA GLU 25 HA GLU 25 -6.358 -7.813 2.294 199 HB2 GLU 25 2HB GLU 25 -6.308 -6.784 5.155 200 HB3 GLU 25 1HB GLU 25 -7.191 -8.213 4.603 201 HG2 GLU 25 2HG GLU 25 -5.112 -9.328 4.009 202 HG3 GLU 25 1HG GLU 25 -4.182 -7.880 4.398 203 H ILE 26 H ILE 26 -6.735 -4.453 3.032 204 HA ILE 26 HA ILE 26 -9.607 -4.353 2.978 205 HB ILE 26 HB ILE 26 -7.804 -2.045 2.100 206 HG12 ILE 26 2HG1 ILE 26 -6.868 -2.895 4.225 207 HG13 ILE 26 1HG1 ILE 26 -7.592 -1.315 4.449 208 HG21 ILE 26 1HG2 ILE 26 -10.513 -2.089 3.499 209 HG22 ILE 26 2HG2 ILE 26 -10.215 -1.700 1.804 210 HG23 ILE 26 3HG2 ILE 26 -9.603 -0.637 3.070 211 HD11 ILE 26 3HD1 ILE 26 -8.004 -2.773 6.322 212 HD12 ILE 26 1HD1 ILE 26 -8.792 -3.953 5.275 213 HD13 ILE 26 2HD1 ILE 26 -9.522 -2.362 5.524 214 H ALA 27 H ALA 27 -7.009 -4.305 0.623 215 HA ALA 27 HA ALA 27 -8.613 -3.724 -1.700 216 HB1 ALA 27 1HB ALA 27 -6.559 -4.242 -2.969 217 HB2 ALA 27 2HB ALA 27 -5.794 -4.840 -1.491 218 HB3 ALA 27 3HB ALA 27 -6.225 -3.133 -1.635 219 H GLN 28 H GLN 28 -7.269 -6.647 -0.162 220 HA GLN 28 HA GLN 28 -8.016 -8.573 -2.082 221 HB2 GLN 28 2HB GLN 28 -7.597 -8.818 0.922 222 HB3 GLN 28 1HB GLN 28 -7.912 -10.212 -0.111 223 HG2 GLN 28 2HG GLN 28 -5.851 -9.668 -1.404 224 HG3 GLN 28 1HG GLN 28 -5.519 -8.356 -0.271 225 HE21 GLN 28 1HE2 GLN 28 -4.779 -8.872 1.799 226 HE22 GLN 28 2HE2 GLN 28 -4.276 -10.458 2.256 227 H SER 29 H SER 29 -9.779 -7.184 0.632 228 HA SER 29 HA SER 29 -12.073 -8.939 0.341 229 HB2 SER 29 2HB SER 29 -11.629 -6.502 2.119 230 HB3 SER 29 1HB SER 29 -12.968 -7.648 2.253 231 HG SER 29 HG SER 29 -10.647 -7.829 3.412 232 H LYS 30 H LYS 30 -11.062 -6.593 -1.602 233 HA LYS 30 HA LYS 30 -11.782 -4.796 -2.736 234 HB2 LYS 30 2HB LYS 30 -13.607 -5.322 -4.324 235 HB3 LYS 30 1HB LYS 30 -12.363 -6.559 -4.231 236 HG2 LYS 30 2HG LYS 30 -13.858 -7.968 -2.861 237 HG3 LYS 30 1HG LYS 30 -15.102 -6.720 -2.941 238 HD2 LYS 30 2HD LYS 30 -13.969 -8.271 -5.302 239 HD3 LYS 30 1HD LYS 30 -15.556 -8.510 -4.566 240 HE2 LYS 30 2HE LYS 30 -16.226 -6.242 -5.248 241 HE3 LYS 30 1HE LYS 30 -14.628 -5.970 -5.949 242 HZ1 LYS 30 3HZ LYS 30 -16.145 -6.558 -7.671 243 HZ2 LYS 30 1HZ LYS 30 -16.643 -7.952 -6.850 244 HZ3 LYS 30 2HZ LYS 30 -15.071 -7.843 -7.457 245 H ASP 31 H ASP 31 -12.035 -3.854 -0.594 246 HA ASP 31 HA ASP 31 -14.648 -2.638 -0.201 247 HB2 ASP 31 2HB ASP 31 -11.896 -2.020 0.961 248 HB3 ASP 31 1HB ASP 31 -13.363 -1.134 1.378 249 H TYR 32 H TYR 32 -15.151 -0.583 -0.890 250 HA TYR 32 HA TYR 32 -13.502 0.463 -3.108 251 HB2 TYR 32 2HB TYR 32 -16.431 1.133 -2.666 252 HB3 TYR 32 1HB TYR 32 -15.517 1.157 -4.171 253 HD1 TYR 32 2HD TYR 32 -14.264 -1.563 -4.135 254 HD2 TYR 32 1HD TYR 32 -18.229 -0.365 -3.101 255 HE1 TYR 32 2HE TYR 32 -15.044 -3.841 -4.567 256 HE2 TYR 32 1HE TYR 32 -19.036 -2.644 -3.565 257 HH TYR 32 HH TYR 32 -18.395 -4.604 -4.833 258 H GLU 33 H GLU 33 -15.910 1.778 -0.790 259 HA GLU 33 HA GLU 33 -14.450 4.293 -0.625 260 HB2 GLU 33 2HB GLU 33 -17.105 3.526 0.644 261 HB3 GLU 33 1HB GLU 33 -16.395 5.142 0.619 262 HG2 GLU 33 2HG GLU 33 -16.393 4.681 -2.040 263 HG3 GLU 33 1HG GLU 33 -17.705 3.595 -1.595 264 H SER 34 H SER 34 -14.908 1.450 1.334 265 HA SER 34 HA SER 34 -13.826 2.516 3.772 266 HB2 SER 34 2HB SER 34 -15.203 0.413 3.666 267 HB3 SER 34 1HB SER 34 -13.871 -0.384 2.831 268 HG SER 34 HG SER 34 -13.629 -0.894 4.938 269 H TRP 35 H TRP 35 -12.539 1.129 0.850 270 HA TRP 35 HA TRP 35 -9.808 0.876 1.672 271 HB2 TRP 35 2HB TRP 35 -10.817 -0.456 -0.146 272 HB3 TRP 35 1HB TRP 35 -11.078 1.005 -1.089 273 HD1 TRP 35 HD TRP 35 -7.941 -0.682 0.551 274 HE1 TRP 35 1HE TRP 35 -6.051 -0.634 -1.181 275 HE3 TRP 35 3HE TRP 35 -10.387 1.708 -3.267 276 HZ2 TRP 35 2HZ TRP 35 -5.659 0.285 -3.821 277 HZ3 TRP 35 3HZ TRP 35 -9.177 2.121 -5.369 278 HH2 TRP 35 HH TRP 35 -6.851 1.423 -5.635 279 H LYS 36 H LYS 36 -11.788 3.463 0.328 280 HA LYS 36 HA LYS 36 -9.726 5.293 -0.327 281 HB2 LYS 36 2HB LYS 36 -12.517 5.934 0.718 282 HB3 LYS 36 1HB LYS 36 -11.428 7.066 -0.085 283 HG2 LYS 36 2HG LYS 36 -11.568 5.502 -2.117 284 HG3 LYS 36 1HG LYS 36 -12.899 4.711 -1.281 285 HD2 LYS 36 2HD LYS 36 -12.757 7.528 -2.374 286 HD3 LYS 36 1HD LYS 36 -13.941 6.271 -2.726 287 HE2 LYS 36 2HE LYS 36 -14.838 6.498 -0.417 288 HE3 LYS 36 1HE LYS 36 -13.663 7.784 -0.101 289 HZ1 LYS 36 3HZ LYS 36 -15.933 7.830 -2.000 290 HZ2 LYS 36 1HZ LYS 36 -14.695 8.983 -2.018 291 HZ3 LYS 36 2HZ LYS 36 -15.678 8.818 -0.653 292 H SER 37 H SER 37 -11.288 4.422 2.713 293 HA SER 37 HA SER 37 -10.420 6.555 4.351 294 HB2 SER 37 2HB SER 37 -11.004 3.705 5.257 295 HB3 SER 37 1HB SER 37 -11.151 5.184 6.214 296 HG SER 37 HG SER 37 -12.734 5.810 4.498 297 H ARG 38 H ARG 38 -8.653 3.963 3.011 298 HA ARG 38 HA ARG 38 -6.434 3.819 4.810 299 HB2 ARG 38 2HB ARG 38 -6.892 3.018 1.916 300 HB3 ARG 38 1HB ARG 38 -5.279 2.926 2.601 301 HG2 ARG 38 2HG ARG 38 -6.707 0.782 2.544 302 HG3 ARG 38 1HG ARG 38 -5.836 1.161 4.019 303 HD2 ARG 38 2HD ARG 38 -8.770 1.811 3.638 304 HD3 ARG 38 1HD ARG 38 -8.201 0.286 4.298 305 HE ARG 38 HE ARG 38 -8.289 2.836 5.633 306 HH11 ARG 38 1HH1 ARG 38 -6.793 -0.361 5.725 307 HH12 ARG 38 2HH1 ARG 38 -6.379 -0.245 7.402 308 HH21 ARG 38 1HH2 ARG 38 -7.627 3.012 7.788 309 HH22 ARG 38 2HH2 ARG 38 -6.854 1.671 8.567 310 H PHE 39 H PHE 39 -7.231 5.593 1.912 311 HA PHE 39 HA PHE 39 -4.769 7.079 1.722 312 HB2 PHE 39 2HB PHE 39 -7.403 7.294 0.180 313 HB3 PHE 39 1HB PHE 39 -5.908 8.133 -0.243 314 HD1 PHE 39 2HD PHE 39 -3.954 6.881 -1.091 315 HD2 PHE 39 1HD PHE 39 -7.663 4.917 -0.334 316 HE1 PHE 39 2HE PHE 39 -3.169 4.934 -2.370 317 HE2 PHE 39 1HE PHE 39 -6.898 2.972 -1.631 318 HZ PHE 39 HZ PHE 39 -4.658 2.980 -2.661 319 H THR 40 H THR 40 -4.760 9.430 1.560 320 HA THR 40 HA THR 40 -6.168 10.884 3.565 321 HB THR 40 HB THR 40 -4.260 12.081 3.052 322 HG1 THR 40 1HG THR 40 -4.877 13.943 1.668 323 HG21 THR 40 3HG2 THR 40 -4.669 11.684 0.083 324 HG22 THR 40 1HG2 THR 40 -3.541 10.771 1.090 325 HG23 THR 40 2HG2 THR 40 -3.297 12.500 0.836 326 H LYS 41 H LYS 41 -7.684 12.486 3.302 327 HA LYS 41 HA LYS 41 -10.045 12.062 2.026 328 HB2 LYS 41 2HB LYS 41 -8.676 14.497 3.091 329 HB3 LYS 41 1HB LYS 41 -10.209 14.712 2.261 330 HG2 LYS 41 2HG LYS 41 -10.960 14.492 4.450 331 HG3 LYS 41 1HG LYS 41 -11.037 12.814 3.941 332 HD2 LYS 41 2HD LYS 41 -10.029 12.899 6.143 333 HD3 LYS 41 1HD LYS 41 -8.765 12.459 4.989 334 HE2 LYS 41 2HE LYS 41 -7.929 14.766 4.992 335 HE3 LYS 41 1HE LYS 41 -9.243 15.269 6.057 336 HZ1 LYS 41 3HZ LYS 41 -7.200 14.934 7.280 337 HZ2 LYS 41 1HZ LYS 41 -7.103 13.332 6.750 338 HZ3 LYS 41 2HZ LYS 41 -8.362 13.808 7.764 339 H ASP 42 H ASP 42 -7.327 13.927 0.856 340 HA ASP 42 HA ASP 42 -8.259 15.075 -1.469 341 HB2 ASP 42 2HB ASP 42 -5.587 13.962 -0.602 342 HB3 ASP 42 1HB ASP 42 -5.759 14.771 -2.154 343 H LEU 43 H LEU 43 -6.706 11.862 -1.073 344 HA LEU 43 HA LEU 43 -7.329 11.069 -3.779 345 HB2 LEU 43 2HB LEU 43 -6.005 9.668 -1.456 346 HB3 LEU 43 1HB LEU 43 -6.528 8.749 -2.856 347 HG LEU 43 HG LEU 43 -5.112 10.349 -4.280 348 HD11 LEU 43 1HD1 LEU 43 -4.805 12.146 -2.678 349 HD12 LEU 43 2HD1 LEU 43 -3.258 11.512 -3.230 350 HD13 LEU 43 3HD1 LEU 43 -3.868 11.078 -1.631 351 HD21 LEU 43 3HD2 LEU 43 -3.050 9.083 -3.899 352 HD22 LEU 43 1HD2 LEU 43 -4.467 8.034 -3.852 353 HD23 LEU 43 2HD2 LEU 43 -3.675 8.512 -2.348 354 H GLN 44 H GLN 44 -9.033 10.845 -0.724 355 HA GLN 44 HA GLN 44 -10.719 8.650 -1.354 356 HB2 GLN 44 2HB GLN 44 -11.289 11.025 0.446 357 HB3 GLN 44 1HB GLN 44 -12.287 9.573 0.352 358 HG2 GLN 44 2HG GLN 44 -10.305 8.231 1.010 359 HG3 GLN 44 1HG GLN 44 -9.402 9.725 1.222 360 HE21 GLN 44 1HE2 GLN 44 -9.026 9.360 3.344 361 HE22 GLN 44 2HE2 GLN 44 -10.248 9.408 4.525 362 H SER 45 H SER 45 -10.599 11.847 -2.591 363 HA SER 45 HA SER 45 -13.223 11.580 -3.930 364 HB2 SER 45 2HB SER 45 -11.454 14.004 -3.600 365 HB3 SER 45 1HB SER 45 -13.082 13.995 -4.278 366 HG SER 45 HG SER 45 -12.707 12.938 -1.712 367 H SER 46 H SER 46 -10.007 10.946 -4.445 368 HA SER 46 HA SER 46 -10.115 11.408 -7.371 369 HB2 SER 46 2HB SER 46 -8.743 13.155 -6.119 370 HB3 SER 46 1HB SER 46 -7.650 11.860 -5.638 371 HG SER 46 HG SER 46 -7.455 11.454 -7.992 372 H LEU 47 H LEU 47 -10.496 8.923 -5.613 373 HA LEU 47 HA LEU 47 -8.320 7.182 -6.461 374 HB2 LEU 47 2HB LEU 47 -10.945 6.608 -5.090 375 HB3 LEU 47 1HB LEU 47 -9.935 5.319 -5.720 376 HG LEU 47 HG LEU 47 -9.474 7.099 -3.330 377 HD11 LEU 47 1HD1 LEU 47 -8.857 5.003 -2.292 378 HD12 LEU 47 2HD1 LEU 47 -8.982 4.176 -3.850 379 HD13 LEU 47 3HD1 LEU 47 -10.420 4.862 -3.093 380 HD21 LEU 47 3HD2 LEU 47 -7.109 6.527 -3.208 381 HD22 LEU 47 1HD2 LEU 47 -7.435 7.480 -4.652 382 HD23 LEU 47 2HD2 LEU 47 -7.181 5.737 -4.788 383 H THR 48 H THR 48 -8.345 5.697 -8.065 384 HA THR 48 HA THR 48 -10.586 5.676 -9.998 385 HB THR 48 HB THR 48 -8.845 4.328 -11.410 386 HG1 THR 48 1HG THR 48 -7.433 4.261 -9.377 387 HG21 THR 48 3HG2 THR 48 -9.488 6.633 -11.983 388 HG22 THR 48 1HG2 THR 48 -7.764 6.379 -12.264 389 HG23 THR 48 2HG2 THR 48 -8.306 7.265 -10.835 390 H GLU 49 H GLU 49 -11.726 3.871 -10.291 391 HA GLU 49 HA GLU 49 -11.744 1.863 -8.259 392 HB2 GLU 49 2HB GLU 49 -13.387 2.164 -10.810 393 HB3 GLU 49 1HB GLU 49 -13.671 0.950 -9.581 394 HG2 GLU 49 2HG GLU 49 -15.255 2.676 -9.197 395 HG3 GLU 49 1HG GLU 49 -14.061 2.793 -7.921 396 H GLU 50 H GLU 50 -10.575 2.083 -11.546 397 HA GLU 50 HA GLU 50 -10.195 -0.608 -12.162 398 HB2 GLU 50 2HB GLU 50 -10.000 1.423 -13.691 399 HB3 GLU 50 1HB GLU 50 -8.406 1.716 -13.011 400 HG2 GLU 50 2HG GLU 50 -7.642 -0.470 -13.833 401 HG3 GLU 50 1HG GLU 50 -9.249 -0.796 -14.475 402 H SER 51 H SER 51 -8.347 1.560 -10.092 403 HA SER 51 HA SER 51 -5.939 0.190 -9.804 404 HB2 SER 51 2HB SER 51 -7.458 1.772 -7.699 405 HB3 SER 51 1HB SER 51 -5.760 1.297 -7.572 406 HG SER 51 HG SER 51 -5.554 2.440 -9.676 407 H TYR 52 H TYR 52 -9.026 -0.421 -8.038 408 HA TYR 52 HA TYR 52 -7.824 -2.737 -6.698 409 HB2 TYR 52 2HB TYR 52 -9.653 -2.801 -5.236 410 HB3 TYR 52 1HB TYR 52 -9.568 -1.086 -5.588 411 HD1 TYR 52 1HD TYR 52 -11.498 -4.199 -6.138 412 HD2 TYR 52 2HD TYR 52 -11.446 0.033 -6.805 413 HE1 TYR 52 1HE TYR 52 -13.848 -4.274 -6.823 414 HE2 TYR 52 2HE TYR 52 -13.796 -0.055 -7.491 415 HH TYR 52 HH TYR 52 -15.414 -1.669 -8.360 416 H ASP 53 H ASP 53 -10.058 -2.019 -9.327 417 HA ASP 53 HA ASP 53 -11.332 -4.558 -9.498 418 HB2 ASP 53 2HB ASP 53 -12.328 -2.428 -10.317 419 HB3 ASP 53 1HB ASP 53 -11.120 -2.336 -11.588 420 H SER 54 H SER 54 -8.891 -3.014 -11.624 421 HA SER 54 HA SER 54 -8.366 -5.195 -13.309 422 HB2 SER 54 2HB SER 54 -7.617 -2.892 -13.830 423 HB3 SER 54 1HB SER 54 -6.493 -2.930 -12.470 424 HG SER 54 HG SER 54 -5.122 -3.899 -13.715 425 H TYR 55 H TYR 55 -6.807 -4.145 -10.283 426 HA TYR 55 HA TYR 55 -4.810 -5.999 -9.907 427 HB2 TYR 55 2HB TYR 55 -4.723 -4.420 -8.230 428 HB3 TYR 55 1HB TYR 55 -6.463 -4.223 -8.182 429 HD1 TYR 55 1HD TYR 55 -3.679 -6.365 -6.933 430 HD2 TYR 55 2HD TYR 55 -7.749 -5.233 -6.413 431 HE1 TYR 55 1HE TYR 55 -3.739 -7.554 -4.804 432 HE2 TYR 55 2HE TYR 55 -7.812 -6.430 -4.285 433 HH TYR 55 HH TYR 55 -5.026 -7.511 -2.712 434 H LEU 56 H LEU 56 -8.281 -6.427 -9.324 435 HA LEU 56 HA LEU 56 -8.157 -8.843 -7.892 436 HB2 LEU 56 2HB LEU 56 -10.405 -7.655 -9.546 437 HB3 LEU 56 1HB LEU 56 -10.603 -9.106 -8.577 438 HG LEU 56 HG LEU 56 -9.900 -6.360 -7.472 439 HD11 LEU 56 1HD1 LEU 56 -12.169 -6.390 -8.356 440 HD12 LEU 56 2HD1 LEU 56 -12.171 -6.277 -6.599 441 HD13 LEU 56 3HD1 LEU 56 -12.554 -7.813 -7.384 442 HD21 LEU 56 3HD2 LEU 56 -10.323 -7.345 -5.258 443 HD22 LEU 56 1HD2 LEU 56 -8.992 -8.162 -6.077 444 HD23 LEU 56 2HD2 LEU 56 -10.581 -8.929 -5.996 445 H LYS 57 H LYS 57 -8.162 -8.224 -11.370 446 HA LYS 57 HA LYS 57 -8.705 -10.846 -12.272 447 HB2 LYS 57 2HB LYS 57 -7.218 -8.580 -13.613 448 HB3 LYS 57 1HB LYS 57 -7.724 -10.047 -14.424 449 HG2 LYS 57 2HG LYS 57 -9.663 -8.131 -13.104 450 HG3 LYS 57 1HG LYS 57 -9.199 -8.048 -14.791 451 HD2 LYS 57 2HD LYS 57 -11.237 -9.203 -14.888 452 HD3 LYS 57 1HD LYS 57 -10.060 -10.511 -14.956 453 HE2 LYS 57 2HE LYS 57 -10.434 -10.946 -12.541 454 HE3 LYS 57 1HE LYS 57 -11.593 -9.611 -12.488 455 HZ1 LYS 57 3HZ LYS 57 -12.974 -10.818 -14.076 456 HZ2 LYS 57 1HZ LYS 57 -12.708 -11.728 -12.681 457 HZ3 LYS 57 2HZ LYS 57 -11.869 -12.092 -14.097 458 H ILE 58 H ILE 58 -5.739 -9.165 -11.408 459 HA ILE 58 HA ILE 58 -3.904 -11.201 -12.180 460 HB ILE 58 HB ILE 58 -3.594 -8.943 -10.132 461 HG12 ILE 58 2HG1 ILE 58 -2.046 -7.942 -11.871 462 HG13 ILE 58 1HG1 ILE 58 -2.539 -9.204 -12.988 463 HG21 ILE 58 1HG2 ILE 58 -1.424 -10.822 -11.142 464 HG22 ILE 58 2HG2 ILE 58 -2.064 -10.747 -9.499 465 HG23 ILE 58 3HG2 ILE 58 -1.148 -9.388 -10.147 466 HD11 ILE 58 3HD1 ILE 58 -4.335 -7.105 -11.785 467 HD12 ILE 58 1HD1 ILE 58 -4.816 -8.345 -12.944 468 HD13 ILE 58 2HD1 ILE 58 -3.668 -7.095 -13.422 469 H LEU 59 H LEU 59 -5.635 -10.328 -9.253 470 HA LEU 59 HA LEU 59 -4.436 -11.937 -7.331 471 HB2 LEU 59 2HB LEU 59 -6.357 -10.080 -7.249 472 HB3 LEU 59 1HB LEU 59 -7.401 -11.447 -7.214 473 HG LEU 59 HG LEU 59 -6.232 -12.276 -5.155 474 HD11 LEU 59 1HD1 LEU 59 -4.789 -10.700 -3.922 475 HD12 LEU 59 2HD1 LEU 59 -4.793 -9.621 -5.318 476 HD13 LEU 59 3HD1 LEU 59 -4.079 -11.231 -5.445 477 HD21 LEU 59 3HD2 LEU 59 -7.451 -9.504 -4.940 478 HD22 LEU 59 1HD2 LEU 59 -7.270 -10.661 -3.616 479 HD23 LEU 59 2HD2 LEU 59 -8.334 -11.033 -4.971 480 H GLU 60 H GLU 60 -6.967 -12.682 -9.631 481 HA GLU 60 HA GLU 60 -8.027 -14.999 -8.655 482 HB2 GLU 60 2HB GLU 60 -7.550 -14.168 -11.528 483 HB3 GLU 60 1HB GLU 60 -8.615 -15.459 -11.037 484 HG2 GLU 60 2HG GLU 60 -8.929 -12.530 -10.491 485 HG3 GLU 60 1HG GLU 60 -9.931 -13.567 -11.478 486 H LYS 61 H LYS 61 -5.119 -14.461 -10.493 487 HA LYS 61 HA LYS 61 -4.538 -17.353 -10.717 488 HB2 LYS 61 2HB LYS 61 -3.024 -16.729 -12.579 489 HB3 LYS 61 1HB LYS 61 -4.696 -16.262 -12.883 490 HG2 LYS 61 2HG LYS 61 -4.144 -13.947 -12.214 491 HG3 LYS 61 1HG LYS 61 -2.464 -14.424 -11.984 492 HD2 LYS 61 2HD LYS 61 -4.003 -14.514 -14.612 493 HD3 LYS 61 1HD LYS 61 -2.802 -13.303 -14.162 494 HE2 LYS 61 2HE LYS 61 -1.067 -15.072 -14.069 495 HE3 LYS 61 1HE LYS 61 -2.275 -16.271 -14.540 496 HZ1 LYS 61 3HZ LYS 61 -2.571 -15.126 -16.626 497 HZ2 LYS 61 1HZ LYS 61 -0.943 -15.512 -16.422 498 HZ3 LYS 61 2HZ LYS 61 -1.472 -13.928 -16.181 499 H GLN 62 H GLN 62 -4.067 -15.264 -8.498 500 HA GLN 62 HA GLN 62 -1.200 -15.632 -8.043 501 HB2 GLN 62 2HB GLN 62 -3.317 -14.063 -6.532 502 HB3 GLN 62 1HB GLN 62 -1.662 -14.186 -6.048 503 HG2 GLN 62 2HG GLN 62 -2.714 -12.891 -8.510 504 HG3 GLN 62 1HG GLN 62 -1.985 -12.091 -7.132 505 HE21 GLN 62 1HE2 GLN 62 -1.406 -14.001 -9.967 506 HE22 GLN 62 2HE2 GLN 62 0.270 -13.778 -10.016 507 H GLY 63 H GLY 63 -4.139 -17.228 -7.249 508 HA2 GLY 63 2HA GLY 63 -4.354 -19.122 -5.883 509 HA3 GLY 63 1HA GLY 63 -2.778 -18.818 -5.199 510 H GLU 64 H GLU 64 -3.264 -18.823 -3.067 511 HA GLU 64 HA GLU 64 -5.191 -16.833 -1.994 512 HB2 GLU 64 2HB GLU 64 -5.695 -19.164 -1.388 513 HB3 GLU 64 1HB GLU 64 -4.064 -19.389 -0.782 514 HG2 GLU 64 2HG GLU 64 -4.593 -17.629 0.969 515 HG3 GLU 64 1HG GLU 64 -6.269 -17.687 0.421 516 H PHE 65 H PHE 65 -4.483 -15.550 -0.255 517 HA PHE 65 HA PHE 65 -1.717 -14.785 -0.104 518 HB2 PHE 65 2HB PHE 65 -3.155 -13.025 0.498 519 HB3 PHE 65 1HB PHE 65 -4.222 -14.057 1.413 520 HD1 PHE 65 1HD PHE 65 -0.637 -12.878 1.602 521 HD2 PHE 65 2HD PHE 65 -4.247 -13.781 3.724 522 HE1 PHE 65 1HE PHE 65 0.431 -12.266 3.704 523 HE2 PHE 65 2HE PHE 65 -3.157 -13.137 5.832 524 HZ PHE 65 HZ PHE 65 -0.816 -12.384 5.820 525 H LYS 66 H LYS 66 -0.171 -15.915 0.913 526 HA LYS 66 HA LYS 66 -0.946 -18.068 2.814 527 HB2 LYS 66 2HB LYS 66 1.627 -17.893 1.193 528 HB3 LYS 66 1HB LYS 66 1.022 -19.284 2.086 529 HG2 LYS 66 2HG LYS 66 -0.124 -18.109 -0.459 530 HG3 LYS 66 1HG LYS 66 0.764 -19.621 -0.304 531 HD2 LYS 66 2HD LYS 66 -1.962 -19.038 0.920 532 HD3 LYS 66 1HD LYS 66 -1.676 -19.969 -0.550 533 HE2 LYS 66 2HE LYS 66 -0.380 -21.624 0.790 534 HE3 LYS 66 1HE LYS 66 -0.779 -20.720 2.254 535 HZ1 LYS 66 3HZ LYS 66 -2.284 -22.570 1.956 536 HZ2 LYS 66 1HZ LYS 66 -2.724 -22.021 0.415 537 HZ3 LYS 66 2HZ LYS 66 -3.132 -21.120 1.789 538 H GLU 67 H GLU 67 1.217 -15.359 2.183 539 HA GLU 67 HA GLU 67 2.238 -15.203 4.881 540 HB2 GLU 67 2HB GLU 67 3.612 -17.031 4.101 541 HB3 GLU 67 1HB GLU 67 3.846 -16.291 2.527 542 HG2 GLU 67 2HG GLU 67 5.887 -16.080 3.598 543 HG3 GLU 67 1HG GLU 67 5.189 -14.485 3.712 544 H PHE 68 H PHE 68 3.134 -13.196 5.260 545 HA PHE 68 HA PHE 68 3.378 -11.253 3.081 546 HB2 PHE 68 2HB PHE 68 3.823 -11.025 6.090 547 HB3 PHE 68 1HB PHE 68 4.146 -9.709 4.967 548 HD1 PHE 68 2HD PHE 68 1.994 -9.575 3.175 549 HD2 PHE 68 1HD PHE 68 1.850 -10.594 7.315 550 HE1 PHE 68 2HE PHE 68 -0.331 -8.836 3.255 551 HE2 PHE 68 1HE PHE 68 -0.485 -9.809 7.419 552 HZ PHE 68 HZ PHE 68 -1.580 -8.913 5.390 553 H GLY 69 H GLY 69 5.130 -11.336 1.926 554 HA2 GLY 69 2HA GLY 69 7.442 -12.874 2.417 555 HA3 GLY 69 1HA GLY 69 7.191 -11.750 1.125 556 H LYS 70 H LYS 70 8.932 -10.554 1.059 557 HA LYS 70 HA LYS 70 10.291 -9.524 3.386 558 HB2 LYS 70 2HB LYS 70 10.582 -9.225 0.385 559 HB3 LYS 70 1HB LYS 70 11.513 -8.184 1.474 560 HG2 LYS 70 2HG LYS 70 11.597 -11.206 1.380 561 HG3 LYS 70 1HG LYS 70 12.819 -10.112 0.736 562 HD2 LYS 70 2HD LYS 70 13.309 -9.303 3.018 563 HD3 LYS 70 1HD LYS 70 12.054 -10.361 3.671 564 HE2 LYS 70 2HE LYS 70 13.306 -12.333 2.971 565 HE3 LYS 70 1HE LYS 70 14.528 -11.322 2.195 566 HZ1 LYS 70 3HZ LYS 70 13.916 -11.370 5.105 567 HZ2 LYS 70 1HZ LYS 70 15.091 -10.406 4.363 568 HZ3 LYS 70 2HZ LYS 70 15.250 -12.086 4.368 569 H CYS 71 H CYS 71 10.786 -7.127 3.330 570 HA CYS 71 HA CYS 71 8.641 -5.408 2.389 571 HB2 CYS 71 2HB CYS 71 7.701 -5.943 4.483 572 HB3 CYS 71 1HB CYS 71 9.213 -5.706 5.305 573 HG CYS 71 HG CYS 71 8.550 -2.931 3.856 574 H THR 72 H THR 72 9.887 -4.365 1.220 575 HA THR 72 HA THR 72 12.323 -3.003 1.925 576 HB THR 72 HB THR 72 10.375 -2.413 -0.362 577 HG1 THR 72 1HG THR 72 12.033 -4.531 0.024 578 HG21 THR 72 3HG2 THR 72 12.071 -0.627 -0.022 579 HG22 THR 72 1HG2 THR 72 12.288 -1.469 -1.560 580 HG23 THR 72 2HG2 THR 72 13.351 -1.832 -0.198 581 H TYR 73 H TYR 73 12.420 -0.848 2.677 582 HA TYR 73 HA TYR 73 9.915 0.674 2.834 583 HB2 TYR 73 2HB TYR 73 12.236 1.008 4.775 584 HB3 TYR 73 1HB TYR 73 10.750 1.877 4.729 585 HD1 TYR 73 2HD TYR 73 8.640 0.919 5.445 586 HD2 TYR 73 1HD TYR 73 12.294 -1.269 5.661 587 HE1 TYR 73 2HE TYR 73 7.574 -0.711 6.965 588 HE2 TYR 73 1HE TYR 73 11.260 -2.895 7.142 589 HH TYR 73 HH TYR 73 8.046 -3.237 7.524 590 H LEU 74 H LEU 74 10.061 2.745 2.311 591 HA LEU 74 HA LEU 74 12.427 3.753 0.984 592 HB2 LEU 74 2HB LEU 74 10.928 4.236 -1.110 593 HB3 LEU 74 1HB LEU 74 11.758 2.730 -0.934 594 HG LEU 74 HG LEU 74 8.772 3.111 -0.449 595 HD11 LEU 74 1HD1 LEU 74 10.247 1.871 -2.771 596 HD12 LEU 74 2HD1 LEU 74 9.346 3.391 -2.791 597 HD13 LEU 74 3HD1 LEU 74 8.491 1.863 -2.551 598 HD21 LEU 74 3HD2 LEU 74 9.548 1.175 0.823 599 HD22 LEU 74 1HD2 LEU 74 10.366 0.523 -0.594 600 HD23 LEU 74 2HD2 LEU 74 8.600 0.634 -0.552 601 H GLY 75 H GLY 75 11.978 5.913 0.107 602 HA2 GLY 75 2HA GLY 75 10.361 7.432 2.098 603 HA3 GLY 75 1HA GLY 75 12.071 7.795 1.785 604 H GLN 76 H GLN 76 10.032 9.651 1.508 605 HA GLN 76 HA GLN 76 10.655 10.579 -1.165 606 HB2 GLN 76 2HB GLN 76 7.710 10.600 -0.361 607 HB3 GLN 76 1HB GLN 76 8.390 11.048 -1.909 608 HG2 GLN 76 2HG GLN 76 8.818 8.701 -2.425 609 HG3 GLN 76 1HG GLN 76 8.275 8.232 -0.812 610 HE21 GLN 76 1HE2 GLN 76 6.089 8.213 -0.345 611 HE22 GLN 76 2HE2 GLN 76 4.873 8.312 -1.566 612 H ILE 77 H ILE 77 10.639 12.820 -1.221 613 HA ILE 77 HA ILE 77 9.035 14.341 0.727 614 HB ILE 77 HB ILE 77 11.849 15.250 -0.095 615 HG12 ILE 77 2HG1 ILE 77 12.165 15.107 2.564 616 HG13 ILE 77 1HG1 ILE 77 10.918 13.884 2.446 617 HG21 ILE 77 1HG2 ILE 77 11.487 17.114 1.492 618 HG22 ILE 77 2HG2 ILE 77 9.857 16.528 1.822 619 HG23 ILE 77 3HG2 ILE 77 10.273 17.114 0.208 620 HD11 ILE 77 3HD1 ILE 77 13.075 12.845 2.434 621 HD12 ILE 77 1HD1 ILE 77 13.610 13.857 1.093 622 HD13 ILE 77 2HD1 ILE 77 12.349 12.643 0.830 623 H LYS 78 H LYS 78 7.722 15.685 -0.409 624 HA LYS 78 HA LYS 78 7.930 15.594 -3.330 625 HB2 LYS 78 2HB LYS 78 5.662 16.350 -3.393 626 HB3 LYS 78 1HB LYS 78 5.752 15.168 -2.102 627 HG2 LYS 78 2HG LYS 78 5.657 16.866 -0.413 628 HG3 LYS 78 1HG LYS 78 5.883 18.155 -1.600 629 HD2 LYS 78 2HD LYS 78 3.678 17.648 -2.593 630 HD3 LYS 78 1HD LYS 78 3.455 16.325 -1.444 631 HE2 LYS 78 2HE LYS 78 3.569 17.985 0.413 632 HE3 LYS 78 1HE LYS 78 3.667 19.277 -0.786 633 HZ1 LYS 78 3HZ LYS 78 1.425 17.347 -0.519 634 HZ2 LYS 78 1HZ LYS 78 1.510 18.626 -1.618 635 HZ3 LYS 78 2HZ LYS 78 1.406 18.943 0.034 636 H ASP 79 H ASP 79 8.448 17.861 -0.769 637 HA ASP 79 HA ASP 79 9.272 20.063 -2.379 638 HB2 ASP 79 2HB ASP 79 6.907 20.377 -2.851 639 HB3 ASP 79 1HB ASP 79 6.460 20.088 -1.182 640 H ASN 80 H ASN 80 7.455 19.630 0.657 641 HA ASN 80 HA ASN 80 9.838 19.948 2.293 642 HB2 ASN 80 2HB ASN 80 7.455 21.812 2.419 643 HB3 ASN 80 1HB ASN 80 8.473 21.566 3.816 644 HD21 ASN 80 1HD2 ASN 80 10.966 21.466 2.329 645 HD22 ASN 80 2HD2 ASN 80 11.254 23.071 1.785 646 H LYS 81 H LYS 81 7.009 18.468 1.492 647 HA LYS 81 HA LYS 81 6.384 17.435 4.156 648 HB2 LYS 81 2HB LYS 81 4.624 18.215 2.370 649 HB3 LYS 81 1HB LYS 81 4.953 16.700 1.603 650 HG2 LYS 81 2HG LYS 81 3.011 16.469 2.958 651 HG3 LYS 81 1HG LYS 81 4.347 15.570 3.643 652 HD2 LYS 81 2HD LYS 81 4.722 17.320 5.329 653 HD3 LYS 81 1HD LYS 81 3.436 18.293 4.607 654 HE2 LYS 81 2HE LYS 81 1.769 16.615 5.246 655 HE3 LYS 81 1HE LYS 81 3.043 15.570 5.892 656 HZ1 LYS 81 3HZ LYS 81 3.534 17.178 7.570 657 HZ2 LYS 81 1HZ LYS 81 1.867 16.886 7.601 658 HZ3 LYS 81 2HZ LYS 81 2.464 18.305 6.900 659 H LYS 82 H LYS 82 6.394 15.205 4.480 660 HA LYS 82 HA LYS 82 8.264 13.684 2.761 661 HB2 LYS 82 2HB LYS 82 7.863 13.426 5.766 662 HB3 LYS 82 1HB LYS 82 8.993 12.496 4.784 663 HG2 LYS 82 2HG LYS 82 10.162 14.657 4.225 664 HG3 LYS 82 1HG LYS 82 9.105 15.463 5.396 665 HD2 LYS 82 2HD LYS 82 9.960 13.936 7.175 666 HD3 LYS 82 1HD LYS 82 11.042 13.193 5.989 667 HE2 LYS 82 2HE LYS 82 12.196 15.343 5.694 668 HE3 LYS 82 1HE LYS 82 11.099 16.095 6.857 669 HZ1 LYS 82 3HZ LYS 82 12.937 13.849 7.456 670 HZ2 LYS 82 1HZ LYS 82 11.931 14.630 8.559 671 HZ3 LYS 82 2HZ LYS 82 13.217 15.465 7.853 672 H TYR 83 H TYR 83 7.843 11.526 2.444 673 HA TYR 83 HA TYR 83 5.146 10.496 2.998 674 HB2 TYR 83 2HB TYR 83 6.390 10.884 0.245 675 HB3 TYR 83 1HB TYR 83 4.962 9.913 0.527 676 HD1 TYR 83 1HD TYR 83 6.258 13.454 0.563 677 HD2 TYR 83 2HD TYR 83 2.824 10.936 0.788 678 HE1 TYR 83 1HE TYR 83 4.804 15.378 0.302 679 HE2 TYR 83 2HE TYR 83 1.382 12.876 0.534 680 HH TYR 83 HH TYR 83 1.390 15.207 0.795 681 H GLY 84 H GLY 84 5.148 8.258 3.413 682 HA2 GLY 84 2HA GLY 84 7.864 7.015 3.422 683 HA3 GLY 84 1HA GLY 84 6.622 6.775 4.647 684 H GLY 85 H GLY 85 8.038 5.361 2.026 685 HA2 GLY 85 2HA GLY 85 5.684 3.906 1.050 686 HA3 GLY 85 1HA GLY 85 7.281 3.949 0.310 687 H VAL 86 H VAL 86 5.632 1.655 0.984 688 HA VAL 86 HA VAL 86 7.769 0.055 2.156 689 HB VAL 86 HB VAL 86 6.484 0.402 4.154 690 HG11 VAL 86 1HG1 VAL 86 3.972 -0.375 2.632 691 HG12 VAL 86 2HG1 VAL 86 4.395 1.251 3.171 692 HG13 VAL 86 3HG1 VAL 86 4.061 -0.008 4.360 693 HG21 VAL 86 3HG2 VAL 86 5.694 -2.313 3.038 694 HG22 VAL 86 1HG2 VAL 86 5.736 -1.873 4.749 695 HG23 VAL 86 2HG2 VAL 86 7.231 -1.929 3.814 696 H ILE 87 H ILE 87 8.101 -1.541 0.761 697 HA ILE 87 HA ILE 87 5.899 -2.626 -0.876 698 HB ILE 87 HB ILE 87 8.916 -3.018 -1.163 699 HG12 ILE 87 2HG1 ILE 87 6.981 -1.616 -3.052 700 HG13 ILE 87 1HG1 ILE 87 7.899 -0.762 -1.839 701 HG21 ILE 87 1HG2 ILE 87 6.667 -4.132 -2.895 702 HG22 ILE 87 2HG2 ILE 87 7.704 -5.080 -1.825 703 HG23 ILE 87 3HG2 ILE 87 8.393 -4.274 -3.238 704 HD11 ILE 87 3HD1 ILE 87 8.946 -0.549 -3.977 705 HD12 ILE 87 1HD1 ILE 87 9.019 -2.301 -4.173 706 HD13 ILE 87 2HD1 ILE 87 9.978 -1.507 -2.919 707 H ILE 88 H ILE 88 4.922 -3.691 0.794 708 HA ILE 88 HA ILE 88 6.421 -5.795 2.201 709 HB ILE 88 HB ILE 88 5.150 -4.601 3.799 710 HG12 ILE 88 2HG1 ILE 88 3.555 -7.119 3.124 711 HG13 ILE 88 1HG1 ILE 88 5.026 -7.054 4.086 712 HG21 ILE 88 1HG2 ILE 88 3.646 -3.354 2.338 713 HG22 ILE 88 2HG2 ILE 88 2.744 -4.102 3.660 714 HG23 ILE 88 3HG2 ILE 88 2.694 -4.812 2.044 715 HD11 ILE 88 3HD1 ILE 88 3.082 -7.319 5.501 716 HD12 ILE 88 1HD1 ILE 88 2.350 -5.856 4.842 717 HD13 ILE 88 2HD1 ILE 88 3.831 -5.751 5.798 718 H VAL 89 H VAL 89 6.737 -7.198 0.705 719 HA VAL 89 HA VAL 89 5.184 -8.148 -1.344 720 HB VAL 89 HB VAL 89 7.343 -9.483 0.360 721 HG11 VAL 89 1HG1 VAL 89 7.576 -11.202 -1.350 722 HG12 VAL 89 2HG1 VAL 89 6.185 -10.552 -2.229 723 HG13 VAL 89 3HG1 VAL 89 5.966 -11.272 -0.629 724 HG21 VAL 89 3HG2 VAL 89 7.401 -8.463 -2.471 725 HG22 VAL 89 1HG2 VAL 89 8.769 -9.086 -1.536 726 HG23 VAL 89 2HG2 VAL 89 8.003 -7.565 -1.062 727 H VAL 90 H VAL 90 3.750 -9.654 -1.539 728 HA VAL 90 HA VAL 90 2.898 -11.192 0.815 729 HB VAL 90 HB VAL 90 1.160 -9.864 -1.298 730 HG11 VAL 90 1HG1 VAL 90 0.337 -11.984 0.673 731 HG12 VAL 90 2HG1 VAL 90 0.476 -12.203 -1.080 732 HG13 VAL 90 3HG1 VAL 90 -0.716 -11.081 -0.421 733 HG21 VAL 90 3HG2 VAL 90 1.637 -8.623 0.800 734 HG22 VAL 90 1HG2 VAL 90 0.950 -9.997 1.697 735 HG23 VAL 90 2HG2 VAL 90 -0.078 -9.045 0.604 736 H LYS 91 H LYS 91 3.581 -13.064 0.512 737 HA LYS 91 HA LYS 91 4.071 -14.279 -2.077 738 HB2 LYS 91 2HB LYS 91 4.387 -15.337 0.766 739 HB3 LYS 91 1HB LYS 91 4.827 -16.243 -0.683 740 HG2 LYS 91 2HG LYS 91 6.476 -14.482 -1.273 741 HG3 LYS 91 1HG LYS 91 6.046 -13.604 0.198 742 HD2 LYS 91 2HD LYS 91 6.885 -15.458 1.583 743 HD3 LYS 91 1HD LYS 91 7.240 -16.409 0.135 744 HE2 LYS 91 2HE LYS 91 8.889 -14.707 -0.567 745 HE3 LYS 91 1HE LYS 91 8.540 -13.769 0.884 746 HZ1 LYS 91 3HZ LYS 91 10.525 -15.074 1.158 747 HZ2 LYS 91 1HZ LYS 91 9.690 -16.501 0.810 748 HZ3 LYS 91 2HZ LYS 91 9.332 -15.627 2.213 749 H TYR 92 H TYR 92 1.936 -14.146 -2.857 750 HA TYR 92 HA TYR 92 -0.147 -15.852 -1.867 751 HB2 TYR 92 2HB TYR 92 0.343 -14.587 -4.590 752 HB3 TYR 92 1HB TYR 92 -0.998 -15.664 -4.295 753 HD1 TYR 92 1HD TYR 92 -2.838 -14.999 -2.836 754 HD2 TYR 92 2HD TYR 92 0.278 -12.278 -3.806 755 HE1 TYR 92 1HE TYR 92 -4.249 -13.156 -2.085 756 HE2 TYR 92 2HE TYR 92 -1.135 -10.408 -3.021 757 HH TYR 92 HH TYR 92 -3.726 -10.051 -2.793 758 H GLU 93 H GLU 93 -0.893 -17.737 -3.193 759 HA GLU 93 HA GLU 93 1.007 -19.755 -2.913 760 HB2 GLU 93 2HB GLU 93 -1.685 -19.678 -2.917 761 HB3 GLU 93 1HB GLU 93 -1.466 -20.228 -4.570 762 HG2 GLU 93 2HG GLU 93 -0.286 -22.207 -3.822 763 HG3 GLU 93 1HG GLU 93 -0.258 -21.607 -2.164 764 H GLU 94 H GLU 94 0.227 -17.837 -5.678 765 HA GLU 94 HA GLU 94 1.958 -19.440 -7.461 766 HB2 GLU 94 2HB GLU 94 -0.388 -17.670 -8.247 767 HB3 GLU 94 1HB GLU 94 0.632 -18.581 -9.354 768 HG2 GLU 94 2HG GLU 94 -0.174 -20.690 -8.272 769 HG3 GLU 94 1HG GLU 94 -1.264 -19.714 -7.286 770 H GLY 95 H GLY 95 1.474 -16.220 -6.047 771 HA2 GLY 95 2HA GLY 95 3.723 -15.178 -7.631 772 HA3 GLY 95 1HA GLY 95 2.184 -14.410 -7.900 773 H ASN 96 H ASN 96 4.944 -13.723 -6.480 774 HA ASN 96 HA ASN 96 4.033 -12.551 -3.990 775 HB2 ASN 96 2HB ASN 96 6.342 -11.487 -5.627 776 HB3 ASN 96 1HB ASN 96 6.049 -11.270 -3.923 777 HD21 ASN 96 1HD2 ASN 96 8.137 -11.968 -3.454 778 HD22 ASN 96 2HD2 ASN 96 8.577 -13.633 -3.490 779 H VAL 97 H VAL 97 2.302 -11.262 -4.254 780 HA VAL 97 HA VAL 97 2.437 -9.038 -6.145 781 HB VAL 97 HB VAL 97 0.300 -9.663 -4.053 782 HG11 VAL 97 1HG1 VAL 97 0.422 -7.249 -4.484 783 HG12 VAL 97 2HG1 VAL 97 -1.066 -7.924 -5.145 784 HG13 VAL 97 3HG1 VAL 97 0.279 -7.534 -6.222 785 HG21 VAL 97 3HG2 VAL 97 -1.139 -10.315 -5.911 786 HG22 VAL 97 1HG2 VAL 97 0.331 -11.292 -5.913 787 HG23 VAL 97 2HG2 VAL 97 0.151 -9.968 -7.068 788 H ASN 98 H ASN 98 3.662 -7.443 -5.560 789 HA ASN 98 HA ASN 98 4.629 -7.322 -2.784 790 HB2 ASN 98 2HB ASN 98 5.884 -5.914 -5.195 791 HB3 ASN 98 1HB ASN 98 6.661 -6.410 -3.695 792 HD21 ASN 98 1HD2 ASN 98 5.489 -7.457 -6.801 793 HD22 ASN 98 2HD2 ASN 98 6.282 -8.987 -6.814 794 H TYR 99 H TYR 99 2.934 -6.132 -1.902 795 HA TYR 99 HA TYR 99 1.700 -3.957 -3.275 796 HB2 TYR 99 2HB TYR 99 1.522 -4.893 -0.390 797 HB3 TYR 99 1HB TYR 99 0.584 -3.558 -1.031 798 HD1 TYR 99 2HD TYR 99 1.040 -7.233 -1.107 799 HD2 TYR 99 1HD TYR 99 -1.332 -3.960 -2.452 800 HE1 TYR 99 2HE TYR 99 -0.742 -8.780 -1.734 801 HE2 TYR 99 1HE TYR 99 -3.127 -5.515 -3.086 802 HH TYR 99 HH TYR 99 -3.210 -8.672 -1.969 803 H SER 100 H SER 100 2.595 -2.039 -3.564 804 HA SER 100 HA SER 100 4.706 -0.978 -1.821 805 HB2 SER 100 2HB SER 100 3.902 -0.067 -4.620 806 HB3 SER 100 1HB SER 100 5.378 0.347 -3.742 807 HG SER 100 HG SER 100 4.844 -2.360 -4.141 808 H LEU 101 H LEU 101 3.441 -0.099 -0.206 809 HA LEU 101 HA LEU 101 1.325 1.835 -0.881 810 HB2 LEU 101 2HB LEU 101 1.838 0.511 1.812 811 HB3 LEU 101 1HB LEU 101 0.417 1.401 1.330 812 HG LEU 101 HG LEU 101 0.454 -0.569 -0.608 813 HD11 LEU 101 1HD1 LEU 101 1.398 -1.869 1.900 814 HD12 LEU 101 2HD1 LEU 101 2.322 -1.648 0.411 815 HD13 LEU 101 3HD1 LEU 101 0.878 -2.653 0.412 816 HD21 LEU 101 3HD2 LEU 101 -1.542 -0.000 0.628 817 HD22 LEU 101 1HD2 LEU 101 -0.935 -0.862 2.048 818 HD23 LEU 101 2HD2 LEU 101 -1.284 -1.749 0.548 819 H ALA 102 H ALA 102 1.899 3.818 -0.792 820 HA ALA 102 HA ALA 102 3.991 4.794 1.085 821 HB1 ALA 102 1HB ALA 102 4.822 4.829 -1.255 822 HB2 ALA 102 2HB ALA 102 4.642 6.461 -0.613 823 HB3 ALA 102 3HB ALA 102 3.441 5.821 -1.737 824 H TYR 103 H TYR 103 3.557 6.511 2.201 825 HA TYR 103 HA TYR 103 0.748 7.385 2.356 826 HB2 TYR 103 2HB TYR 103 2.857 7.078 4.555 827 HB3 TYR 103 1HB TYR 103 1.205 7.554 4.770 828 HD1 TYR 103 1HD TYR 103 3.420 4.745 4.028 829 HD2 TYR 103 2HD TYR 103 -0.577 5.932 4.929 830 HE1 TYR 103 1HE TYR 103 2.815 2.390 4.489 831 HE2 TYR 103 2HE TYR 103 -1.182 3.614 5.386 832 HH TYR 103 HH TYR 103 -0.439 1.400 4.854 833 H ASP 104 H ASP 104 0.709 9.618 3.631 834 HA ASP 104 HA ASP 104 3.180 11.216 3.322 835 HB2 ASP 104 2HB ASP 104 1.753 12.958 4.619 836 HB3 ASP 104 1HB ASP 104 1.246 12.545 2.989 837 H GLU 105 H GLU 105 3.489 12.581 5.610 838 HA GLU 105 HA GLU 105 4.741 10.960 7.516 839 HB2 GLU 105 2HB GLU 105 3.528 13.733 7.774 840 HB3 GLU 105 1HB GLU 105 4.507 12.998 9.038 841 HG2 GLU 105 2HG GLU 105 6.481 13.169 7.813 842 HG3 GLU 105 1HG GLU 105 5.644 13.254 6.266 843 H ASP 106 H ASP 106 1.480 12.299 7.435 844 HA ASP 106 HA ASP 106 0.685 11.580 10.082 845 HB2 ASP 106 2HB ASP 106 -1.131 12.242 7.719 846 HB3 ASP 106 1HB ASP 106 -1.521 12.395 9.428 847 H MET 107 H MET 107 0.966 9.853 7.189 848 HA MET 107 HA MET 107 0.915 7.681 6.752 849 HB2 MET 107 2HB MET 107 -0.156 7.361 9.564 850 HB3 MET 107 1HB MET 107 0.095 6.001 8.481 851 HG2 MET 107 2HG MET 107 2.519 6.720 8.293 852 HG3 MET 107 1HG MET 107 2.198 7.872 9.591 853 HE1 MET 107 3HE MET 107 1.618 3.338 10.125 854 HE2 MET 107 1HE MET 107 2.063 4.068 8.583 855 HE3 MET 107 2HE MET 107 0.475 4.385 9.288 856 H ASN 108 H ASN 108 -1.086 9.438 5.952 857 HA ASN 108 HA ASN 108 -3.314 7.563 5.408 858 HB2 ASN 108 2HB ASN 108 -3.109 10.361 4.226 859 HB3 ASN 108 1HB ASN 108 -4.543 9.401 4.555 860 HD21 ASN 108 1HD2 ASN 108 -2.239 11.594 5.812 861 HD22 ASN 108 2HD2 ASN 108 -2.994 11.864 7.326 862 H LEU 109 H LEU 109 -3.187 6.370 3.543 863 HA LEU 109 HA LEU 109 -0.943 6.278 1.954 864 HB2 LEU 109 2HB LEU 109 -3.653 5.081 1.714 865 HB3 LEU 109 1HB LEU 109 -2.707 5.138 0.239 866 HG LEU 109 HG LEU 109 -2.015 3.658 2.802 867 HD11 LEU 109 1HD1 LEU 109 -2.335 2.784 -0.063 868 HD12 LEU 109 2HD1 LEU 109 -3.500 2.501 1.239 869 HD13 LEU 109 3HD1 LEU 109 -1.908 1.727 1.295 870 HD21 LEU 109 3HD2 LEU 109 0.020 4.751 2.003 871 HD22 LEU 109 1HD2 LEU 109 -0.267 4.124 0.372 872 HD23 LEU 109 2HD2 LEU 109 0.084 3.017 1.715 873 H VAL 110 H VAL 110 -0.553 6.808 -0.149 874 HA VAL 110 HA VAL 110 -1.851 9.173 -1.262 875 HB VAL 110 HB VAL 110 0.225 9.451 0.531 876 HG11 VAL 110 1HG1 VAL 110 1.664 9.447 -2.135 877 HG12 VAL 110 2HG1 VAL 110 1.874 8.263 -0.847 878 HG13 VAL 110 3HG1 VAL 110 2.335 9.943 -0.580 879 HG21 VAL 110 3HG2 VAL 110 0.513 11.691 -0.268 880 HG22 VAL 110 1HG2 VAL 110 -1.185 11.231 -0.341 881 HG23 VAL 110 2HG2 VAL 110 -0.219 11.283 -1.821 882 H SER 111 H SER 111 0.120 6.350 -1.582 883 HA SER 111 HA SER 111 -0.046 6.305 -4.462 884 HB2 SER 111 2HB SER 111 2.723 6.434 -3.155 885 HB3 SER 111 1HB SER 111 2.404 6.129 -4.863 886 HG SER 111 HG SER 111 1.173 8.316 -4.489 887 H PHE 112 H PHE 112 -1.274 4.466 -3.838 888 HA PHE 112 HA PHE 112 0.222 2.137 -2.844 889 HB2 PHE 112 2HB PHE 112 -1.879 2.216 -1.765 890 HB3 PHE 112 1HB PHE 112 -2.733 2.718 -3.215 891 HD1 PHE 112 2HD PHE 112 -1.137 -0.197 -1.503 892 HD2 PHE 112 1HD PHE 112 -3.646 1.045 -4.739 893 HE1 PHE 112 2HE PHE 112 -1.767 -2.516 -1.924 894 HE2 PHE 112 1HE PHE 112 -4.258 -1.303 -5.161 895 HZ PHE 112 HZ PHE 112 -3.316 -3.089 -3.750 896 H THR 113 H THR 113 0.796 0.510 -4.103 897 HA THR 113 HA THR 113 -0.492 -0.065 -6.648 898 HB THR 113 HB THR 113 1.998 -0.608 -7.529 899 HG1 THR 113 1HG THR 113 2.413 1.033 -5.344 900 HG21 THR 113 3HG2 THR 113 2.083 1.533 -8.686 901 HG22 THR 113 1HG2 THR 113 0.927 2.229 -7.551 902 HG23 THR 113 2HG2 THR 113 0.425 0.933 -8.645 903 H MET 114 H MET 114 0.377 -2.285 -7.422 904 HA MET 114 HA MET 114 1.063 -4.040 -5.196 905 HB2 MET 114 2HB MET 114 -0.799 -5.614 -5.964 906 HB3 MET 114 1HB MET 114 -1.258 -4.199 -5.042 907 HG2 MET 114 2HG MET 114 -2.822 -4.452 -6.752 908 HG3 MET 114 1HG MET 114 -1.842 -3.090 -7.197 909 HE1 MET 114 3HE MET 114 -2.457 -6.877 -7.727 910 HE2 MET 114 1HE MET 114 -0.698 -6.893 -7.691 911 HE3 MET 114 2HE MET 114 -1.552 -7.237 -9.199 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 9.619 16.352 -3.322 2 H2 GLY 1 2HT GLY 1 10.400 17.220 -4.544 3 H3 GLY 1 3HT GLY 1 9.918 18.002 -3.125 4 HA2 GLY 1 1HA GLY 1 12.298 17.611 -3.110 5 HA3 GLY 1 2HA GLY 1 11.484 16.733 -1.824 6 H GLU 2 H GLU 2 13.401 15.359 -1.812 7 HA GLU 2 HA GLU 2 14.072 13.647 -4.017 8 HB2 GLU 2 2HB GLU 2 15.677 14.206 -2.172 9 HB3 GLU 2 1HB GLU 2 14.690 13.310 -1.066 10 HG2 GLU 2 2HG GLU 2 15.149 11.256 -2.239 11 HG3 GLU 2 1HG GLU 2 16.083 12.138 -3.413 12 H ILE 3 H ILE 3 13.412 11.487 -4.392 13 HA ILE 3 HA ILE 3 11.440 10.313 -2.517 14 HB ILE 3 HB ILE 3 12.195 9.158 -5.250 15 HG12 ILE 3 2HG1 ILE 3 11.313 11.469 -5.605 16 HG13 ILE 3 1HG1 ILE 3 10.253 10.245 -6.276 17 HG21 ILE 3 1HG2 ILE 3 11.087 7.593 -3.712 18 HG22 ILE 3 2HG2 ILE 3 10.029 7.959 -5.076 19 HG23 ILE 3 3HG2 ILE 3 9.743 8.717 -3.508 20 HD11 ILE 3 3HD1 ILE 3 8.759 10.514 -4.341 21 HD12 ILE 3 1HD1 ILE 3 8.995 12.009 -5.245 22 HD13 ILE 3 2HD1 ILE 3 9.831 11.770 -3.712 23 H LEU 4 H LEU 4 12.644 9.383 -0.909 24 HA LEU 4 HA LEU 4 15.315 8.564 -1.269 25 HB2 LEU 4 2HB LEU 4 13.616 7.971 1.160 26 HB3 LEU 4 1HB LEU 4 15.367 7.990 1.067 27 HG LEU 4 HG LEU 4 14.926 10.519 0.333 28 HD11 LEU 4 1HD1 LEU 4 12.621 10.428 0.256 29 HD12 LEU 4 2HD1 LEU 4 13.126 11.553 1.518 30 HD13 LEU 4 3HD1 LEU 4 12.518 9.951 1.954 31 HD21 LEU 4 3HD2 LEU 4 14.842 9.640 3.227 32 HD22 LEU 4 1HD2 LEU 4 15.285 11.250 2.649 33 HD23 LEU 4 2HD2 LEU 4 16.302 9.865 2.263 34 H LYS 5 H LYS 5 16.167 6.518 -0.475 35 HA LYS 5 HA LYS 5 14.760 4.157 -1.527 36 HB2 LYS 5 2HB LYS 5 17.675 4.654 -0.866 37 HB3 LYS 5 1HB LYS 5 17.034 3.261 -1.708 38 HG2 LYS 5 2HG LYS 5 16.581 4.476 -3.679 39 HG3 LYS 5 1HG LYS 5 16.596 6.026 -2.837 40 HD2 LYS 5 2HD LYS 5 18.583 5.893 -4.184 41 HD3 LYS 5 1HD LYS 5 19.048 5.772 -2.485 42 HE2 LYS 5 2HE LYS 5 19.279 3.317 -2.737 43 HE3 LYS 5 1HE LYS 5 18.795 3.449 -4.431 44 HZ1 LYS 5 3HZ LYS 5 21.203 4.713 -3.239 45 HZ2 LYS 5 1HZ LYS 5 20.749 4.773 -4.869 46 HZ3 LYS 5 2HZ LYS 5 21.201 3.302 -4.167 47 H GLU 6 H GLU 6 14.432 5.462 1.198 48 HA GLU 6 HA GLU 6 14.395 3.215 2.943 49 HB2 GLU 6 2HB GLU 6 16.084 3.916 4.563 50 HB3 GLU 6 1HB GLU 6 16.856 3.702 2.992 51 HG2 GLU 6 2HG GLU 6 16.765 6.165 2.638 52 HG3 GLU 6 1HG GLU 6 16.057 6.362 4.246 53 H LEU 7 H LEU 7 13.851 4.045 5.252 54 HA LEU 7 HA LEU 7 11.879 6.172 5.084 55 HB2 LEU 7 2HB LEU 7 12.715 4.413 7.419 56 HB3 LEU 7 1HB LEU 7 11.413 5.597 7.484 57 HG LEU 7 HG LEU 7 11.507 3.004 5.924 58 HD11 LEU 7 1HD1 LEU 7 9.609 3.946 8.072 59 HD12 LEU 7 2HD1 LEU 7 10.918 2.773 8.256 60 HD13 LEU 7 3HD1 LEU 7 9.553 2.401 7.209 61 HD21 LEU 7 3HD2 LEU 7 9.293 3.518 5.020 62 HD22 LEU 7 1HD2 LEU 7 10.497 4.672 4.458 63 HD23 LEU 7 2HD2 LEU 7 9.358 5.140 5.727 64 HA PRO 8 HA PRO 8 14.891 9.198 6.848 65 HB2 PRO 8 2HB PRO 8 13.161 11.347 6.487 66 HB3 PRO 8 1HB PRO 8 14.300 10.784 5.247 67 HG2 PRO 8 2HG PRO 8 11.369 10.237 5.499 68 HG3 PRO 8 1HG PRO 8 12.331 10.574 4.044 69 HD2 PRO 8 2HD PRO 8 11.567 8.052 4.712 70 HD3 PRO 8 1HD PRO 8 13.089 8.374 3.874 71 H GLU 9 H GLU 9 14.259 10.993 8.602 72 HA GLU 9 HA GLU 9 13.134 9.579 10.810 73 HB2 GLU 9 2HB GLU 9 14.062 12.462 10.557 74 HB3 GLU 9 1HB GLU 9 13.496 11.753 12.072 75 HG2 GLU 9 2HG GLU 9 15.290 10.037 11.884 76 HG3 GLU 9 1HG GLU 9 15.893 10.866 10.452 77 H GLY 10 H GLY 10 11.266 9.895 11.928 78 HA2 GLY 10 2HA GLY 10 9.203 11.030 12.393 79 HA3 GLY 10 1HA GLY 10 9.219 11.666 10.759 80 H PHE 11 H PHE 11 10.167 8.502 10.537 81 HA PHE 11 HA PHE 11 7.436 7.333 10.489 82 HB2 PHE 11 2HB PHE 11 9.637 6.559 8.526 83 HB3 PHE 11 1HB PHE 11 7.969 6.076 8.475 84 HD1 PHE 11 2HD PHE 11 6.199 7.825 7.856 85 HD2 PHE 11 1HD PHE 11 10.361 8.515 7.522 86 HE1 PHE 11 2HE PHE 11 5.751 9.729 6.412 87 HE2 PHE 11 1HE PHE 11 9.919 10.451 6.078 88 HZ PHE 11 HZ PHE 11 7.616 11.046 5.529 89 H ASP 12 H ASP 12 7.725 4.815 10.452 90 HA ASP 12 HA ASP 12 10.060 3.895 11.991 91 HB2 ASP 12 2HB ASP 12 8.167 4.399 13.604 92 HB3 ASP 12 1HB ASP 12 7.214 3.182 12.803 93 H LYS 13 H LYS 13 10.748 1.914 11.313 94 HA LYS 13 HA LYS 13 9.887 0.864 8.899 95 HB2 LYS 13 2HB LYS 13 11.604 -0.299 11.109 96 HB3 LYS 13 1HB LYS 13 11.421 -1.021 9.524 97 HG2 LYS 13 2HG LYS 13 12.334 1.051 8.483 98 HG3 LYS 13 1HG LYS 13 12.567 1.728 10.096 99 HD2 LYS 13 2HD LYS 13 14.679 0.853 9.219 100 HD3 LYS 13 1HD LYS 13 14.167 -0.090 10.620 101 HE2 LYS 13 2HE LYS 13 13.331 -1.862 9.132 102 HE3 LYS 13 1HE LYS 13 13.768 -0.891 7.721 103 HZ1 LYS 13 3HZ LYS 13 15.693 -1.903 9.745 104 HZ2 LYS 13 1HZ LYS 13 16.069 -1.080 8.318 105 HZ3 LYS 13 2HZ LYS 13 15.394 -2.627 8.248 106 H GLU 14 H GLU 14 9.176 -0.176 12.227 107 HA GLU 14 HA GLU 14 7.840 -2.606 11.367 108 HB2 GLU 14 2HB GLU 14 7.935 -1.321 14.123 109 HB3 GLU 14 1HB GLU 14 7.373 -2.955 13.765 110 HG2 GLU 14 2HG GLU 14 9.657 -3.508 12.914 111 HG3 GLU 14 1HG GLU 14 10.196 -1.899 13.394 112 H THR 15 H THR 15 6.886 0.658 12.282 113 HA THR 15 HA THR 15 4.058 0.188 12.397 114 HB THR 15 HB THR 15 5.616 2.792 12.007 115 HG1 THR 15 1HG THR 15 5.006 1.227 14.175 116 HG21 THR 15 3HG2 THR 15 2.668 2.412 12.703 117 HG22 THR 15 1HG2 THR 15 3.293 3.096 11.198 118 HG23 THR 15 2HG2 THR 15 3.529 3.951 12.724 119 H VAL 16 H VAL 16 6.291 1.226 9.857 120 HA VAL 16 HA VAL 16 4.275 1.901 7.946 121 HB VAL 16 HB VAL 16 7.310 1.692 7.748 122 HG11 VAL 16 1HG1 VAL 16 5.409 2.509 5.527 123 HG12 VAL 16 2HG1 VAL 16 6.523 1.137 5.525 124 HG13 VAL 16 3HG1 VAL 16 7.155 2.784 5.511 125 HG21 VAL 16 3HG2 VAL 16 6.416 3.618 9.027 126 HG22 VAL 16 1HG2 VAL 16 5.430 4.093 7.641 127 HG23 VAL 16 2HG2 VAL 16 7.193 4.166 7.539 128 H ARG 17 H ARG 17 6.251 -0.881 8.621 129 HA ARG 17 HA ARG 17 5.545 -2.645 6.555 130 HB2 ARG 17 2HB ARG 17 7.340 -3.198 7.979 131 HB3 ARG 17 1HB ARG 17 6.399 -2.938 9.435 132 HG2 ARG 17 2HG ARG 17 5.175 -5.037 9.040 133 HG3 ARG 17 1HG ARG 17 6.070 -5.290 7.534 134 HD2 ARG 17 2HD ARG 17 8.121 -5.599 8.683 135 HD3 ARG 17 1HD ARG 17 7.492 -4.900 10.171 136 HE ARG 17 HE ARG 17 6.151 -7.328 9.440 137 HH11 ARG 17 1HH1 ARG 17 8.997 -6.013 11.049 138 HH12 ARG 17 2HH1 ARG 17 9.224 -7.406 12.056 139 HH21 ARG 17 1HH2 ARG 17 6.446 -9.143 10.818 140 HH22 ARG 17 2HH2 ARG 17 7.779 -9.178 11.923 141 H LYS 18 H LYS 18 4.055 -2.083 9.767 142 HA LYS 18 HA LYS 18 2.151 -4.179 9.458 143 HB2 LYS 18 2HB LYS 18 3.232 -2.891 11.634 144 HB3 LYS 18 1HB LYS 18 1.639 -2.161 11.596 145 HG2 LYS 18 2HG LYS 18 2.219 -5.141 11.695 146 HG3 LYS 18 1HG LYS 18 1.785 -4.147 13.088 147 HD2 LYS 18 2HD LYS 18 -0.451 -3.745 12.150 148 HD3 LYS 18 1HD LYS 18 -0.017 -4.584 10.660 149 HE2 LYS 18 2HE LYS 18 0.256 -6.691 11.951 150 HE3 LYS 18 1HE LYS 18 -0.233 -5.841 13.418 151 HZ1 LYS 18 3HZ LYS 18 -1.895 -6.293 11.000 152 HZ2 LYS 18 1HZ LYS 18 -2.383 -5.390 12.348 153 HZ3 LYS 18 2HZ LYS 18 -2.075 -7.043 12.502 154 H GLN 19 H GLN 19 2.088 -0.702 9.052 155 HA GLN 19 HA GLN 19 -0.810 -0.613 8.623 156 HB2 GLN 19 2HB GLN 19 0.451 1.071 10.076 157 HB3 GLN 19 1HB GLN 19 1.165 1.703 8.603 158 HG2 GLN 19 2HG GLN 19 -0.773 3.031 9.449 159 HG3 GLN 19 1HG GLN 19 -0.962 2.463 7.796 160 HE21 GLN 19 1HE2 GLN 19 -2.579 0.972 7.319 161 HE22 GLN 19 2HE2 GLN 19 -3.810 0.537 8.452 162 H ALA 20 H ALA 20 0.730 -2.029 6.735 163 HA ALA 20 HA ALA 20 -0.017 -0.576 4.279 164 HB1 ALA 20 1HB ALA 20 2.479 -2.284 4.622 165 HB2 ALA 20 2HB ALA 20 2.441 -0.526 4.480 166 HB3 ALA 20 3HB ALA 20 1.929 -1.526 3.121 167 H MET 21 H MET 21 0.699 -3.618 5.926 168 HA MET 21 HA MET 21 -0.191 -5.345 3.888 169 HB2 MET 21 2HB MET 21 0.404 -7.036 5.305 170 HB3 MET 21 1HB MET 21 1.505 -5.766 5.726 171 HG2 MET 21 2HG MET 21 -0.750 -5.610 7.470 172 HG3 MET 21 1HG MET 21 -0.195 -7.261 7.381 173 HE1 MET 21 3HE MET 21 2.230 -8.091 8.340 174 HE2 MET 21 1HE MET 21 3.502 -6.923 8.694 175 HE3 MET 21 2HE MET 21 2.911 -7.113 7.039 176 H GLU 22 H GLU 22 -1.693 -4.000 6.709 177 HA GLU 22 HA GLU 22 -4.183 -5.279 6.723 178 HB2 GLU 22 2HB GLU 22 -3.752 -2.307 7.285 179 HB3 GLU 22 1HB GLU 22 -5.020 -3.338 7.942 180 HG2 GLU 22 2HG GLU 22 -2.065 -3.510 8.586 181 HG3 GLU 22 1HG GLU 22 -3.299 -2.770 9.600 182 H ASP 23 H ASP 23 -3.086 -2.393 4.990 183 HA ASP 23 HA ASP 23 -5.557 -1.675 3.772 184 HB2 ASP 23 2HB ASP 23 -2.734 -0.832 2.970 185 HB3 ASP 23 1HB ASP 23 -4.234 0.021 2.592 186 H ILE 24 H ILE 24 -2.886 -3.717 2.818 187 HA ILE 24 HA ILE 24 -3.519 -4.326 0.149 188 HB ILE 24 HB ILE 24 -2.389 -6.066 2.387 189 HG12 ILE 24 2HG1 ILE 24 -0.977 -4.733 0.038 190 HG13 ILE 24 1HG1 ILE 24 -0.996 -4.122 1.687 191 HG21 ILE 24 1HG2 ILE 24 -3.384 -7.598 0.762 192 HG22 ILE 24 2HG2 ILE 24 -1.624 -7.691 0.677 193 HG23 ILE 24 3HG2 ILE 24 -2.522 -6.802 -0.556 194 HD11 ILE 24 3HD1 ILE 24 0.218 -6.133 2.430 195 HD12 ILE 24 1HD1 ILE 24 1.097 -5.220 1.204 196 HD13 ILE 24 2HD1 ILE 24 0.261 -6.705 0.759 197 H GLU 25 H GLU 25 -4.702 -5.703 3.220 198 HA GLU 25 HA GLU 25 -6.282 -7.722 2.036 199 HB2 GLU 25 2HB GLU 25 -6.275 -6.701 4.882 200 HB3 GLU 25 1HB GLU 25 -7.119 -8.152 4.345 201 HG2 GLU 25 2HG GLU 25 -4.948 -9.126 3.645 202 HG3 GLU 25 1HG GLU 25 -4.118 -7.712 4.299 203 H ILE 26 H ILE 26 -6.997 -4.505 3.055 204 HA ILE 26 HA ILE 26 -9.863 -4.702 2.918 205 HB ILE 26 HB ILE 26 -8.055 -2.243 2.832 206 HG12 ILE 26 2HG1 ILE 26 -9.425 -3.339 5.322 207 HG13 ILE 26 1HG1 ILE 26 -7.840 -3.920 4.833 208 HG21 ILE 26 1HG2 ILE 26 -10.995 -2.454 3.598 209 HG22 ILE 26 2HG2 ILE 26 -10.353 -1.690 2.143 210 HG23 ILE 26 3HG2 ILE 26 -10.002 -0.997 3.726 211 HD11 ILE 26 3HD1 ILE 26 -6.915 -1.732 5.035 212 HD12 ILE 26 1HD1 ILE 26 -7.713 -2.204 6.530 213 HD13 ILE 26 2HD1 ILE 26 -8.496 -1.053 5.444 214 H ALA 27 H ALA 27 -7.277 -4.162 0.645 215 HA ALA 27 HA ALA 27 -8.917 -3.263 -1.574 216 HB1 ALA 27 1HB ALA 27 -6.060 -4.292 -1.542 217 HB2 ALA 27 2HB ALA 27 -6.545 -2.602 -1.404 218 HB3 ALA 27 3HB ALA 27 -6.855 -3.489 -2.900 219 H GLN 28 H GLN 28 -7.556 -6.316 -0.379 220 HA GLN 28 HA GLN 28 -8.163 -8.015 -2.562 221 HB2 GLN 28 2HB GLN 28 -8.046 -8.728 0.406 222 HB3 GLN 28 1HB GLN 28 -8.025 -9.888 -0.915 223 HG2 GLN 28 2HG GLN 28 -5.840 -9.120 -1.623 224 HG3 GLN 28 1HG GLN 28 -5.869 -7.819 -0.434 225 HE21 GLN 28 1HE2 GLN 28 -7.074 -9.629 1.645 226 HE22 GLN 28 2HE2 GLN 28 -5.771 -10.618 2.182 227 H SER 29 H SER 29 -9.967 -7.095 0.342 228 HA SER 29 HA SER 29 -12.241 -8.766 -0.131 229 HB2 SER 29 2HB SER 29 -13.204 -7.323 1.799 230 HB3 SER 29 1HB SER 29 -11.783 -8.305 2.153 231 HG SER 29 HG SER 29 -11.940 -5.516 1.723 232 H LYS 30 H LYS 30 -11.269 -5.851 -1.541 233 HA LYS 30 HA LYS 30 -12.171 -4.464 -3.041 234 HB2 LYS 30 2HB LYS 30 -13.033 -6.696 -3.945 235 HB3 LYS 30 1HB LYS 30 -14.551 -6.351 -3.127 236 HG2 LYS 30 2HG LYS 30 -14.741 -4.268 -4.521 237 HG3 LYS 30 1HG LYS 30 -13.302 -4.778 -5.403 238 HD2 LYS 30 2HD LYS 30 -15.334 -5.378 -6.640 239 HD3 LYS 30 1HD LYS 30 -14.470 -6.828 -6.133 240 HE2 LYS 30 2HE LYS 30 -16.062 -7.147 -4.278 241 HE3 LYS 30 1HE LYS 30 -16.910 -5.668 -4.733 242 HZ1 LYS 30 3HZ LYS 30 -17.457 -6.683 -6.855 243 HZ2 LYS 30 1HZ LYS 30 -18.039 -7.622 -5.574 244 HZ3 LYS 30 2HZ LYS 30 -16.653 -8.102 -6.410 245 H ASP 31 H ASP 31 -12.200 -3.485 -0.741 246 HA ASP 31 HA ASP 31 -14.820 -2.301 -0.161 247 HB2 ASP 31 2HB ASP 31 -12.131 -2.138 1.244 248 HB3 ASP 31 1HB ASP 31 -13.416 -0.998 1.617 249 H TYR 32 H TYR 32 -15.320 -0.308 -0.632 250 HA TYR 32 HA TYR 32 -13.600 1.227 -2.459 251 HB2 TYR 32 2HB TYR 32 -16.554 1.779 -2.009 252 HB3 TYR 32 1HB TYR 32 -15.584 2.076 -3.447 253 HD1 TYR 32 2HD TYR 32 -14.341 -0.670 -3.776 254 HD2 TYR 32 1HD TYR 32 -18.355 0.476 -2.887 255 HE1 TYR 32 2HE TYR 32 -15.117 -2.789 -4.670 256 HE2 TYR 32 1HE TYR 32 -19.157 -1.657 -3.821 257 HH TYR 32 HH TYR 32 -18.306 -3.348 -5.525 258 H GLU 33 H GLU 33 -16.203 2.102 -0.164 259 HA GLU 33 HA GLU 33 -15.048 4.649 0.449 260 HB2 GLU 33 2HB GLU 33 -16.965 4.865 2.037 261 HB3 GLU 33 1HB GLU 33 -17.453 4.418 0.406 262 HG2 GLU 33 2HG GLU 33 -17.785 2.102 1.081 263 HG3 GLU 33 1HG GLU 33 -17.180 2.450 2.702 264 H SER 34 H SER 34 -15.047 1.499 2.087 265 HA SER 34 HA SER 34 -14.048 2.403 4.609 266 HB2 SER 34 2HB SER 34 -13.724 -0.368 3.389 267 HB3 SER 34 1HB SER 34 -13.684 0.053 5.101 268 HG SER 34 HG SER 34 -15.703 -0.839 4.035 269 H TRP 35 H TRP 35 -12.590 1.213 1.644 270 HA TRP 35 HA TRP 35 -9.884 1.074 2.514 271 HB2 TRP 35 2HB TRP 35 -10.986 -0.156 0.574 272 HB3 TRP 35 1HB TRP 35 -10.954 1.355 -0.322 273 HD1 TRP 35 HD TRP 35 -8.087 -0.369 1.713 274 HE1 TRP 35 1HE TRP 35 -6.113 -0.743 0.109 275 HE3 TRP 35 3HE TRP 35 -10.187 1.426 -2.592 276 HZ2 TRP 35 2HZ TRP 35 -5.530 -0.345 -2.609 277 HZ3 TRP 35 3HZ TRP 35 -8.851 1.381 -4.669 278 HH2 TRP 35 HH TRP 35 -6.561 0.513 -4.673 279 H LYS 36 H LYS 36 -11.839 3.488 0.795 280 HA LYS 36 HA LYS 36 -9.937 5.472 0.265 281 HB2 LYS 36 2HB LYS 36 -12.925 5.548 0.848 282 HB3 LYS 36 1HB LYS 36 -12.042 7.048 0.590 283 HG2 LYS 36 2HG LYS 36 -11.448 6.405 -1.642 284 HG3 LYS 36 1HG LYS 36 -12.121 4.788 -1.409 285 HD2 LYS 36 2HD LYS 36 -14.366 5.602 -1.370 286 HD3 LYS 36 1HD LYS 36 -13.848 7.274 -1.135 287 HE2 LYS 36 2HE LYS 36 -12.963 7.359 -3.392 288 HE3 LYS 36 1HE LYS 36 -13.349 5.652 -3.649 289 HZ1 LYS 36 3HZ LYS 36 -15.326 7.806 -3.137 290 HZ2 LYS 36 1HZ LYS 36 -15.685 6.184 -3.457 291 HZ3 LYS 36 2HZ LYS 36 -14.972 7.147 -4.651 292 H SER 37 H SER 37 -11.790 4.756 3.213 293 HA SER 37 HA SER 37 -11.202 7.062 4.733 294 HB2 SER 37 2HB SER 37 -13.053 5.479 5.231 295 HB3 SER 37 1HB SER 37 -11.881 4.257 5.696 296 HG SER 37 HG SER 37 -11.217 5.636 7.395 297 H ARG 38 H ARG 38 -9.241 4.393 3.879 298 HA ARG 38 HA ARG 38 -7.189 4.913 5.880 299 HB2 ARG 38 2HB ARG 38 -7.278 3.079 3.450 300 HB3 ARG 38 1HB ARG 38 -5.905 3.191 4.546 301 HG2 ARG 38 2HG ARG 38 -8.701 2.282 5.293 302 HG3 ARG 38 1HG ARG 38 -7.294 1.237 5.052 303 HD2 ARG 38 2HD ARG 38 -6.148 2.370 6.941 304 HD3 ARG 38 1HD ARG 38 -7.578 3.383 7.189 305 HE ARG 38 HE ARG 38 -8.337 0.670 7.273 306 HH11 ARG 38 1HH1 ARG 38 -6.531 2.991 9.216 307 HH12 ARG 38 2HH1 ARG 38 -6.871 2.185 10.710 308 HH21 ARG 38 1HH2 ARG 38 -8.762 -0.377 9.236 309 HH22 ARG 38 2HH2 ARG 38 -8.139 0.270 10.716 310 H PHE 39 H PHE 39 -7.861 5.606 2.469 311 HA PHE 39 HA PHE 39 -5.324 6.752 1.820 312 HB2 PHE 39 2HB PHE 39 -8.028 6.747 0.438 313 HB3 PHE 39 1HB PHE 39 -6.718 7.742 -0.191 314 HD1 PHE 39 2HD PHE 39 -7.405 4.239 0.878 315 HD2 PHE 39 1HD PHE 39 -5.259 6.796 -1.789 316 HE1 PHE 39 2HE PHE 39 -6.494 2.297 -0.253 317 HE2 PHE 39 1HE PHE 39 -4.362 4.844 -2.945 318 HZ PHE 39 HZ PHE 39 -4.976 2.568 -2.184 319 H THR 40 H THR 40 -5.004 8.960 1.087 320 HA THR 40 HA THR 40 -5.912 11.080 2.730 321 HB THR 40 HB THR 40 -4.990 12.599 0.986 322 HG1 THR 40 1HG THR 40 -4.274 10.393 -0.599 323 HG21 THR 40 3HG2 THR 40 -3.326 11.559 2.479 324 HG22 THR 40 1HG2 THR 40 -2.668 11.822 0.863 325 HG23 THR 40 2HG2 THR 40 -3.172 10.205 1.356 326 H LYS 41 H LYS 41 -7.581 12.531 2.399 327 HA LYS 41 HA LYS 41 -9.922 11.954 1.054 328 HB2 LYS 41 2HB LYS 41 -8.719 14.507 2.033 329 HB3 LYS 41 1HB LYS 41 -10.318 14.465 1.309 330 HG2 LYS 41 2HG LYS 41 -11.025 12.792 3.033 331 HG3 LYS 41 1HG LYS 41 -9.424 12.904 3.766 332 HD2 LYS 41 2HD LYS 41 -10.925 14.256 5.045 333 HD3 LYS 41 1HD LYS 41 -9.835 15.328 4.165 334 HE2 LYS 41 2HE LYS 41 -11.628 15.713 2.473 335 HE3 LYS 41 1HE LYS 41 -12.703 14.670 3.409 336 HZ1 LYS 41 3HZ LYS 41 -11.506 17.220 4.356 337 HZ2 LYS 41 1HZ LYS 41 -12.516 16.210 5.261 338 HZ3 LYS 41 2HZ LYS 41 -13.113 16.985 3.887 339 H ASP 42 H ASP 42 -7.110 13.637 -0.099 340 HA ASP 42 HA ASP 42 -7.805 14.506 -2.635 341 HB2 ASP 42 2HB ASP 42 -5.401 13.935 -1.155 342 HB3 ASP 42 1HB ASP 42 -5.199 13.196 -2.729 343 H LEU 43 H LEU 43 -6.462 11.338 -1.750 344 HA LEU 43 HA LEU 43 -6.626 10.183 -4.300 345 HB2 LEU 43 2HB LEU 43 -5.985 9.276 -1.541 346 HB3 LEU 43 1HB LEU 43 -6.450 8.016 -2.655 347 HG LEU 43 HG LEU 43 -3.964 8.432 -2.375 348 HD11 LEU 43 1HD1 LEU 43 -3.455 8.030 -4.744 349 HD12 LEU 43 2HD1 LEU 43 -5.082 8.559 -5.187 350 HD13 LEU 43 3HD1 LEU 43 -4.858 7.099 -4.220 351 HD21 LEU 43 3HD2 LEU 43 -3.954 10.844 -2.401 352 HD22 LEU 43 1HD2 LEU 43 -4.469 10.851 -4.089 353 HD23 LEU 43 2HD2 LEU 43 -2.899 10.175 -3.638 354 H GLN 44 H GLN 44 -8.999 10.329 -1.671 355 HA GLN 44 HA GLN 44 -10.592 8.133 -2.320 356 HB2 GLN 44 2HB GLN 44 -11.655 10.782 -1.338 357 HB3 GLN 44 1HB GLN 44 -12.410 9.203 -1.145 358 HG2 GLN 44 2HG GLN 44 -10.476 8.482 0.234 359 HG3 GLN 44 1HG GLN 44 -9.800 10.102 0.088 360 HE21 GLN 44 1HE2 GLN 44 -10.331 8.864 2.484 361 HE22 GLN 44 2HE2 GLN 44 -11.565 9.726 3.275 362 H SER 45 H SER 45 -11.006 11.522 -3.369 363 HA SER 45 HA SER 45 -12.981 11.034 -5.356 364 HB2 SER 45 2HB SER 45 -11.143 13.402 -4.980 365 HB3 SER 45 1HB SER 45 -12.593 13.390 -5.987 366 HG SER 45 HG SER 45 -13.749 12.877 -4.025 367 H SER 46 H SER 46 -9.604 10.532 -5.344 368 HA SER 46 HA SER 46 -9.287 10.785 -8.273 369 HB2 SER 46 2HB SER 46 -7.698 12.037 -6.780 370 HB3 SER 46 1HB SER 46 -7.153 10.498 -6.124 371 HG SER 46 HG SER 46 -6.542 9.949 -8.323 372 H LEU 47 H LEU 47 -10.098 8.391 -6.091 373 HA LEU 47 HA LEU 47 -8.347 6.268 -6.716 374 HB2 LEU 47 2HB LEU 47 -11.118 6.303 -5.560 375 HB3 LEU 47 1HB LEU 47 -10.384 4.782 -6.033 376 HG LEU 47 HG LEU 47 -9.723 6.573 -3.712 377 HD11 LEU 47 1HD1 LEU 47 -9.501 4.422 -2.572 378 HD12 LEU 47 2HD1 LEU 47 -9.779 3.602 -4.117 379 HD13 LEU 47 3HD1 LEU 47 -11.055 4.588 -3.393 380 HD21 LEU 47 3HD2 LEU 47 -7.524 5.550 -3.363 381 HD22 LEU 47 1HD2 LEU 47 -7.546 6.515 -4.841 382 HD23 LEU 47 2HD2 LEU 47 -7.630 4.755 -4.943 383 H THR 48 H THR 48 -8.174 5.014 -8.373 384 HA THR 48 HA THR 48 -9.976 5.259 -10.674 385 HB THR 48 HB THR 48 -8.178 3.825 -11.814 386 HG1 THR 48 1HG THR 48 -6.238 3.542 -10.726 387 HG21 THR 48 3HG2 THR 48 -8.199 6.272 -12.129 388 HG22 THR 48 1HG2 THR 48 -6.543 5.664 -12.046 389 HG23 THR 48 2HG2 THR 48 -7.252 6.485 -10.653 390 H GLU 49 H GLU 49 -11.359 3.658 -11.233 391 HA GLU 49 HA GLU 49 -11.960 1.632 -9.336 392 HB2 GLU 49 2HB GLU 49 -13.073 2.220 -12.077 393 HB3 GLU 49 1HB GLU 49 -13.727 0.995 -11.009 394 HG2 GLU 49 2HG GLU 49 -14.189 2.730 -9.308 395 HG3 GLU 49 1HG GLU 49 -13.543 3.951 -10.387 396 H GLU 50 H GLU 50 -10.154 1.698 -12.298 397 HA GLU 50 HA GLU 50 -9.763 -0.986 -12.871 398 HB2 GLU 50 2HB GLU 50 -8.969 0.987 -14.203 399 HB3 GLU 50 1HB GLU 50 -7.737 1.293 -12.985 400 HG2 GLU 50 2HG GLU 50 -6.853 -1.032 -13.474 401 HG3 GLU 50 1HG GLU 50 -7.954 -1.071 -14.845 402 H SER 51 H SER 51 -8.279 1.055 -10.370 403 HA SER 51 HA SER 51 -6.265 -0.768 -9.507 404 HB2 SER 51 2HB SER 51 -6.175 1.704 -9.110 405 HB3 SER 51 1HB SER 51 -7.496 1.549 -7.957 406 HG SER 51 HG SER 51 -6.087 0.098 -6.768 407 H TYR 52 H TYR 52 -9.659 -0.849 -9.046 408 HA TYR 52 HA TYR 52 -9.257 -3.092 -7.166 409 HB2 TYR 52 2HB TYR 52 -11.122 -2.541 -5.807 410 HB3 TYR 52 1HB TYR 52 -10.301 -1.015 -6.031 411 HD1 TYR 52 1HD TYR 52 -13.336 -2.959 -6.837 412 HD2 TYR 52 2HD TYR 52 -11.473 0.873 -7.241 413 HE1 TYR 52 1HE TYR 52 -15.477 -1.978 -7.481 414 HE2 TYR 52 2HE TYR 52 -13.623 1.830 -7.855 415 HH TYR 52 HH TYR 52 -15.742 1.096 -8.874 416 H ASP 53 H ASP 53 -9.548 -2.800 -10.185 417 HA ASP 53 HA ASP 53 -11.767 -4.753 -10.548 418 HB2 ASP 53 2HB ASP 53 -12.415 -2.522 -11.464 419 HB3 ASP 53 1HB ASP 53 -10.971 -2.503 -12.452 420 H SER 54 H SER 54 -9.223 -3.395 -12.674 421 HA SER 54 HA SER 54 -8.518 -5.843 -13.875 422 HB2 SER 54 2HB SER 54 -6.923 -3.256 -13.611 423 HB3 SER 54 1HB SER 54 -6.481 -4.598 -14.673 424 HG SER 54 HG SER 54 -8.493 -4.309 -15.726 425 H TYR 55 H TYR 55 -7.076 -4.015 -11.192 426 HA TYR 55 HA TYR 55 -4.969 -5.548 -10.359 427 HB2 TYR 55 2HB TYR 55 -5.271 -3.570 -9.129 428 HB3 TYR 55 1HB TYR 55 -7.000 -3.815 -8.944 429 HD1 TYR 55 1HD TYR 55 -3.668 -5.005 -7.660 430 HD2 TYR 55 2HD TYR 55 -7.878 -4.720 -6.908 431 HE1 TYR 55 1HE TYR 55 -3.329 -5.805 -5.361 432 HE2 TYR 55 2HE TYR 55 -7.525 -5.522 -4.618 433 HH TYR 55 HH TYR 55 -5.890 -6.808 -3.343 434 H LEU 56 H LEU 56 -8.435 -6.201 -9.784 435 HA LEU 56 HA LEU 56 -8.074 -8.344 -7.989 436 HB2 LEU 56 2HB LEU 56 -10.444 -7.679 -9.743 437 HB3 LEU 56 1HB LEU 56 -10.458 -8.964 -8.543 438 HG LEU 56 HG LEU 56 -10.209 -5.984 -8.004 439 HD11 LEU 56 1HD1 LEU 56 -12.372 -6.230 -6.905 440 HD12 LEU 56 2HD1 LEU 56 -12.425 -7.939 -7.346 441 HD13 LEU 56 3HD1 LEU 56 -12.462 -6.697 -8.603 442 HD21 LEU 56 3HD2 LEU 56 -8.828 -7.198 -6.384 443 HD22 LEU 56 1HD2 LEU 56 -10.176 -8.276 -6.006 444 HD23 LEU 56 2HD2 LEU 56 -10.271 -6.558 -5.604 445 H LYS 57 H LYS 57 -8.189 -8.198 -11.499 446 HA LYS 57 HA LYS 57 -8.534 -10.926 -12.045 447 HB2 LYS 57 2HB LYS 57 -7.152 -8.797 -13.679 448 HB3 LYS 57 1HB LYS 57 -7.583 -10.386 -14.279 449 HG2 LYS 57 2HG LYS 57 -9.631 -8.406 -13.227 450 HG3 LYS 57 1HG LYS 57 -9.161 -8.521 -14.910 451 HD2 LYS 57 2HD LYS 57 -11.161 -9.770 -14.821 452 HD3 LYS 57 1HD LYS 57 -9.905 -11.002 -14.789 453 HE2 LYS 57 2HE LYS 57 -10.190 -11.145 -12.296 454 HE3 LYS 57 1HE LYS 57 -11.496 -9.970 -12.417 455 HZ1 LYS 57 3HZ LYS 57 -11.513 -12.557 -13.843 456 HZ2 LYS 57 1HZ LYS 57 -12.801 -11.486 -13.618 457 HZ3 LYS 57 2HZ LYS 57 -12.167 -12.341 -12.303 458 H ILE 58 H ILE 58 -5.577 -8.979 -11.670 459 HA ILE 58 HA ILE 58 -3.677 -11.039 -12.036 460 HB ILE 58 HB ILE 58 -3.424 -8.537 -10.284 461 HG12 ILE 58 2HG1 ILE 58 -1.880 -7.739 -12.187 462 HG13 ILE 58 1HG1 ILE 58 -2.533 -9.053 -13.150 463 HG21 ILE 58 1HG2 ILE 58 -1.216 -10.448 -11.139 464 HG22 ILE 58 2HG2 ILE 58 -1.812 -10.194 -9.498 465 HG23 ILE 58 3HG2 ILE 58 -0.958 -8.897 -10.331 466 HD11 ILE 58 3HD1 ILE 58 -4.103 -6.782 -11.975 467 HD12 ILE 58 1HD1 ILE 58 -4.744 -8.080 -12.982 468 HD13 ILE 58 2HD1 ILE 58 -3.580 -6.936 -13.655 469 H LEU 59 H LEU 59 -5.345 -9.779 -9.229 470 HA LEU 59 HA LEU 59 -4.090 -11.033 -7.096 471 HB2 LEU 59 2HB LEU 59 -5.920 -9.185 -7.226 472 HB3 LEU 59 1HB LEU 59 -7.049 -10.483 -7.170 473 HG LEU 59 HG LEU 59 -6.045 -11.187 -4.957 474 HD11 LEU 59 1HD1 LEU 59 -3.868 -10.120 -5.177 475 HD12 LEU 59 2HD1 LEU 59 -4.700 -9.539 -3.739 476 HD13 LEU 59 3HD1 LEU 59 -4.624 -8.524 -5.180 477 HD21 LEU 59 3HD2 LEU 59 -7.237 -8.402 -5.073 478 HD22 LEU 59 1HD2 LEU 59 -7.209 -9.468 -3.665 479 HD23 LEU 59 2HD2 LEU 59 -8.143 -9.916 -5.089 480 H GLU 60 H GLU 60 -6.868 -12.086 -9.006 481 HA GLU 60 HA GLU 60 -7.578 -14.314 -7.490 482 HB2 GLU 60 2HB GLU 60 -8.155 -13.382 -10.312 483 HB3 GLU 60 1HB GLU 60 -8.818 -14.866 -9.694 484 HG2 GLU 60 2HG GLU 60 -10.099 -13.742 -8.026 485 HG3 GLU 60 1HG GLU 60 -9.256 -12.234 -8.343 486 H LYS 61 H LYS 61 -5.119 -13.807 -9.876 487 HA LYS 61 HA LYS 61 -4.754 -16.595 -10.630 488 HB2 LYS 61 2HB LYS 61 -3.299 -14.074 -11.460 489 HB3 LYS 61 1HB LYS 61 -3.087 -15.654 -12.182 490 HG2 LYS 61 2HG LYS 61 -5.349 -15.629 -13.050 491 HG3 LYS 61 1HG LYS 61 -5.701 -14.132 -12.184 492 HD2 LYS 61 2HD LYS 61 -3.943 -12.986 -13.571 493 HD3 LYS 61 1HD LYS 61 -3.758 -14.482 -14.495 494 HE2 LYS 61 2HE LYS 61 -6.315 -12.856 -14.261 495 HE3 LYS 61 1HE LYS 61 -5.226 -12.870 -15.649 496 HZ1 LYS 61 3HZ LYS 61 -7.120 -14.309 -15.998 497 HZ2 LYS 61 1HZ LYS 61 -6.741 -15.211 -14.620 498 HZ3 LYS 61 2HZ LYS 61 -5.697 -15.218 -15.950 499 H GLN 62 H GLN 62 -3.639 -14.273 -8.405 500 HA GLN 62 HA GLN 62 -1.081 -15.376 -7.739 501 HB2 GLN 62 2HB GLN 62 -2.920 -13.620 -6.066 502 HB3 GLN 62 1HB GLN 62 -1.223 -13.858 -5.814 503 HG2 GLN 62 2HG GLN 62 -2.501 -12.414 -8.092 504 HG3 GLN 62 1HG GLN 62 -1.671 -11.673 -6.745 505 HE21 GLN 62 1HE2 GLN 62 -1.357 -13.363 -9.728 506 HE22 GLN 62 2HE2 GLN 62 0.331 -13.152 -9.910 507 H GLY 63 H GLY 63 -4.326 -16.335 -7.105 508 HA2 GLY 63 2HA GLY 63 -5.135 -18.029 -5.687 509 HA3 GLY 63 1HA GLY 63 -3.590 -18.074 -4.868 510 H GLU 64 H GLU 64 -5.393 -18.124 -3.069 511 HA GLU 64 HA GLU 64 -6.100 -15.413 -2.189 512 HB2 GLU 64 2HB GLU 64 -6.749 -18.173 -1.175 513 HB3 GLU 64 1HB GLU 64 -6.932 -16.804 -0.094 514 HG2 GLU 64 2HG GLU 64 -9.062 -17.398 -1.156 515 HG3 GLU 64 1HG GLU 64 -8.555 -15.768 -1.587 516 H PHE 65 H PHE 65 -5.449 -14.613 -0.127 517 HA PHE 65 HA PHE 65 -2.632 -14.637 0.126 518 HB2 PHE 65 2HB PHE 65 -3.443 -12.541 0.709 519 HB3 PHE 65 1HB PHE 65 -4.857 -13.203 1.518 520 HD1 PHE 65 1HD PHE 65 -1.177 -12.816 1.911 521 HD2 PHE 65 2HD PHE 65 -4.918 -13.293 3.911 522 HE1 PHE 65 1HE PHE 65 -0.073 -12.475 4.061 523 HE2 PHE 65 2HE PHE 65 -3.794 -12.958 6.069 524 HZ PHE 65 HZ PHE 65 -1.371 -12.554 6.149 525 H LYS 66 H LYS 66 -1.317 -15.663 1.501 526 HA LYS 66 HA LYS 66 -2.420 -17.529 3.531 527 HB2 LYS 66 2HB LYS 66 0.035 -17.905 1.746 528 HB3 LYS 66 1HB LYS 66 -0.516 -19.043 2.977 529 HG2 LYS 66 2HG LYS 66 -2.097 -18.259 0.499 530 HG3 LYS 66 1HG LYS 66 -1.113 -19.719 0.653 531 HD2 LYS 66 2HD LYS 66 -2.545 -20.537 2.466 532 HD3 LYS 66 1HD LYS 66 -3.483 -19.042 2.440 533 HE2 LYS 66 2HE LYS 66 -4.356 -19.562 0.243 534 HE3 LYS 66 1HE LYS 66 -3.293 -20.966 0.101 535 HZ1 LYS 66 3HZ LYS 66 -5.459 -20.643 2.099 536 HZ2 LYS 66 1HZ LYS 66 -4.443 -21.985 1.952 537 HZ3 LYS 66 2HZ LYS 66 -5.530 -21.608 0.716 538 H GLU 67 H GLU 67 0.343 -15.572 2.512 539 HA GLU 67 HA GLU 67 1.302 -15.130 5.237 540 HB2 GLU 67 2HB GLU 67 2.258 -17.292 4.594 541 HB3 GLU 67 1HB GLU 67 2.719 -16.670 3.018 542 HG2 GLU 67 2HG GLU 67 4.682 -16.860 4.241 543 HG3 GLU 67 1HG GLU 67 4.345 -15.148 4.185 544 H PHE 68 H PHE 68 2.916 -13.353 5.249 545 HA PHE 68 HA PHE 68 3.003 -11.724 2.784 546 HB2 PHE 68 2HB PHE 68 3.404 -11.004 5.705 547 HB3 PHE 68 1HB PHE 68 3.972 -9.934 4.425 548 HD1 PHE 68 2HD PHE 68 2.135 -9.553 2.488 549 HD2 PHE 68 1HD PHE 68 1.241 -10.491 6.564 550 HE1 PHE 68 2HE PHE 68 -0.116 -8.644 2.191 551 HE2 PHE 68 1HE PHE 68 -1.020 -9.558 6.264 552 HZ PHE 68 HZ PHE 68 -1.705 -8.634 4.082 553 H GLY 69 H GLY 69 5.300 -10.339 2.999 554 HA2 GLY 69 2HA GLY 69 7.439 -12.381 2.799 555 HA3 GLY 69 1HA GLY 69 6.953 -11.483 1.382 556 H LYS 70 H LYS 70 9.005 -10.652 1.177 557 HA LYS 70 HA LYS 70 10.489 -9.374 3.218 558 HB2 LYS 70 2HB LYS 70 11.227 -10.470 0.926 559 HB3 LYS 70 1HB LYS 70 10.925 -8.878 0.261 560 HG2 LYS 70 2HG LYS 70 12.854 -9.420 2.545 561 HG3 LYS 70 1HG LYS 70 13.340 -9.364 0.851 562 HD2 LYS 70 2HD LYS 70 12.690 -6.995 0.713 563 HD3 LYS 70 1HD LYS 70 12.067 -7.040 2.362 564 HE2 LYS 70 2HE LYS 70 14.366 -7.510 3.187 565 HE3 LYS 70 1HE LYS 70 14.968 -7.372 1.534 566 HZ1 LYS 70 3HZ LYS 70 15.256 -5.329 2.814 567 HZ2 LYS 70 1HZ LYS 70 13.581 -5.209 3.031 568 HZ3 LYS 70 2HZ LYS 70 14.249 -5.087 1.480 569 H CYS 71 H CYS 71 10.319 -7.427 3.977 570 HA CYS 71 HA CYS 71 8.622 -5.409 2.701 571 HB2 CYS 71 2HB CYS 71 8.809 -4.345 5.007 572 HB3 CYS 71 1HB CYS 71 7.919 -5.841 4.904 573 HG CYS 71 HG CYS 71 11.192 -5.800 5.863 574 H THR 72 H THR 72 9.671 -4.103 1.501 575 HA THR 72 HA THR 72 12.357 -3.047 2.072 576 HB THR 72 HB THR 72 10.496 -2.606 -0.314 577 HG1 THR 72 1HG THR 72 12.951 -4.030 -0.357 578 HG21 THR 72 3HG2 THR 72 11.995 -0.672 -0.040 579 HG22 THR 72 1HG2 THR 72 12.456 -1.617 -1.458 580 HG23 THR 72 2HG2 THR 72 13.389 -1.752 0.033 581 H TYR 73 H TYR 73 12.594 -0.784 2.539 582 HA TYR 73 HA TYR 73 10.131 0.779 2.843 583 HB2 TYR 73 2HB TYR 73 12.544 1.080 4.661 584 HB3 TYR 73 1HB TYR 73 11.012 1.872 4.750 585 HD1 TYR 73 2HD TYR 73 8.914 0.558 5.201 586 HD2 TYR 73 1HD TYR 73 12.834 -1.049 5.731 587 HE1 TYR 73 2HE TYR 73 7.996 -1.225 6.644 588 HE2 TYR 73 1HE TYR 73 11.941 -2.823 7.152 589 HH TYR 73 HH TYR 73 8.761 -3.641 7.290 590 H LEU 74 H LEU 74 10.234 2.830 2.307 591 HA LEU 74 HA LEU 74 12.574 3.976 1.062 592 HB2 LEU 74 2HB LEU 74 11.244 4.431 -1.083 593 HB3 LEU 74 1HB LEU 74 11.982 2.893 -0.858 594 HG LEU 74 HG LEU 74 9.002 3.416 -0.631 595 HD11 LEU 74 1HD1 LEU 74 10.605 1.988 -2.756 596 HD12 LEU 74 2HD1 LEU 74 9.913 3.612 -2.913 597 HD13 LEU 74 3HD1 LEU 74 8.851 2.213 -2.740 598 HD21 LEU 74 3HD2 LEU 74 8.720 0.960 -0.661 599 HD22 LEU 74 1HD2 LEU 74 9.611 1.483 0.763 600 HD23 LEU 74 2HD2 LEU 74 10.475 0.751 -0.589 601 H GLY 75 H GLY 75 11.899 6.116 0.038 602 HA2 GLY 75 2HA GLY 75 10.184 7.529 2.017 603 HA3 GLY 75 1HA GLY 75 11.866 8.018 1.731 604 H GLN 76 H GLN 76 9.856 9.786 1.426 605 HA GLN 76 HA GLN 76 10.572 10.834 -1.095 606 HB2 GLN 76 2HB GLN 76 7.949 11.140 -1.677 607 HB3 GLN 76 1HB GLN 76 8.841 9.734 -2.243 608 HG2 GLN 76 2HG GLN 76 7.905 8.383 -0.480 609 HG3 GLN 76 1HG GLN 76 7.177 9.784 0.276 610 HE21 GLN 76 1HE2 GLN 76 5.706 7.583 -0.245 611 HE22 GLN 76 2HE2 GLN 76 4.582 7.897 -1.527 612 H ILE 77 H ILE 77 9.984 13.054 -1.286 613 HA ILE 77 HA ILE 77 8.489 14.347 0.936 614 HB ILE 77 HB ILE 77 10.895 15.634 -0.456 615 HG12 ILE 77 2HG1 ILE 77 11.833 15.536 2.040 616 HG13 ILE 77 1HG1 ILE 77 10.744 14.170 2.185 617 HG21 ILE 77 1HG2 ILE 77 10.671 17.436 1.219 618 HG22 ILE 77 2HG2 ILE 77 9.240 16.640 1.883 619 HG23 ILE 77 3HG2 ILE 77 9.212 17.272 0.235 620 HD11 ILE 77 3HD1 ILE 77 11.881 13.099 0.285 621 HD12 ILE 77 1HD1 ILE 77 12.944 13.429 1.657 622 HD13 ILE 77 2HD1 ILE 77 13.006 14.467 0.233 623 H LYS 78 H LYS 78 7.077 15.875 0.214 624 HA LYS 78 HA LYS 78 6.339 15.794 -2.606 625 HB2 LYS 78 2HB LYS 78 4.810 15.460 -0.501 626 HB3 LYS 78 1HB LYS 78 4.845 17.209 -0.375 627 HG2 LYS 78 2HG LYS 78 3.895 17.275 -2.726 628 HG3 LYS 78 1HG LYS 78 3.722 15.523 -2.611 629 HD2 LYS 78 2HD LYS 78 1.595 16.479 -2.048 630 HD3 LYS 78 1HD LYS 78 2.302 15.846 -0.563 631 HE2 LYS 78 2HE LYS 78 1.368 17.972 -0.008 632 HE3 LYS 78 1HE LYS 78 3.119 18.238 -0.093 633 HZ1 LYS 78 3HZ LYS 78 2.783 19.022 -2.393 634 HZ2 LYS 78 1HZ LYS 78 1.988 19.978 -1.253 635 HZ3 LYS 78 2HZ LYS 78 1.111 18.877 -2.185 636 H ASP 79 H ASP 79 6.093 18.419 -0.264 637 HA ASP 79 HA ASP 79 7.670 20.267 -1.949 638 HB2 ASP 79 2HB ASP 79 5.142 20.805 -0.314 639 HB3 ASP 79 1HB ASP 79 6.178 22.091 -0.918 640 H ASN 80 H ASN 80 6.232 20.103 1.278 641 HA ASN 80 HA ASN 80 8.853 20.438 2.577 642 HB2 ASN 80 2HB ASN 80 7.848 21.994 4.196 643 HB3 ASN 80 1HB ASN 80 7.630 22.605 2.571 644 HD21 ASN 80 1HD2 ASN 80 6.041 21.426 5.375 645 HD22 ASN 80 2HD2 ASN 80 4.443 21.713 4.819 646 H LYS 81 H LYS 81 6.335 18.483 2.068 647 HA LYS 81 HA LYS 81 6.059 17.436 4.802 648 HB2 LYS 81 2HB LYS 81 4.240 17.527 2.406 649 HB3 LYS 81 1HB LYS 81 4.091 16.149 3.472 650 HG2 LYS 81 2HG LYS 81 3.831 19.017 4.413 651 HG3 LYS 81 1HG LYS 81 2.477 18.017 3.895 652 HD2 LYS 81 2HD LYS 81 2.385 17.701 6.199 653 HD3 LYS 81 1HD LYS 81 3.359 16.324 5.722 654 HE2 LYS 81 2HE LYS 81 5.401 17.604 6.367 655 HE3 LYS 81 1HE LYS 81 4.369 18.935 6.888 656 HZ1 LYS 81 3HZ LYS 81 4.406 16.192 8.014 657 HZ2 LYS 81 1HZ LYS 81 3.340 17.419 8.486 658 HZ3 LYS 81 2HZ LYS 81 5.000 17.592 8.754 659 H LYS 82 H LYS 82 6.620 15.370 5.225 660 HA LYS 82 HA LYS 82 8.140 13.929 3.145 661 HB2 LYS 82 2HB LYS 82 8.291 13.832 6.178 662 HB3 LYS 82 1HB LYS 82 9.038 12.606 5.164 663 HG2 LYS 82 2HG LYS 82 10.751 14.135 5.728 664 HG3 LYS 82 1HG LYS 82 10.358 14.432 4.046 665 HD2 LYS 82 2HD LYS 82 9.081 16.437 4.666 666 HD3 LYS 82 1HD LYS 82 9.360 16.113 6.379 667 HE2 LYS 82 2HE LYS 82 11.510 16.765 4.326 668 HE3 LYS 82 1HE LYS 82 10.867 17.879 5.536 669 HZ1 LYS 82 3HZ LYS 82 12.952 16.945 6.273 670 HZ2 LYS 82 1HZ LYS 82 12.370 15.370 6.085 671 HZ3 LYS 82 2HZ LYS 82 11.708 16.378 7.265 672 H TYR 83 H TYR 83 7.853 11.707 2.947 673 HA TYR 83 HA TYR 83 5.281 10.526 3.747 674 HB2 TYR 83 2HB TYR 83 6.213 11.078 0.886 675 HB3 TYR 83 1HB TYR 83 4.965 9.909 1.236 676 HD1 TYR 83 1HD TYR 83 5.819 13.526 1.474 677 HD2 TYR 83 2HD TYR 83 2.718 10.622 1.509 678 HE1 TYR 83 1HE TYR 83 4.152 15.315 1.386 679 HE2 TYR 83 2HE TYR 83 1.051 12.401 1.433 680 HH TYR 83 HH TYR 83 0.873 14.790 2.057 681 H GLY 84 H GLY 84 5.339 8.246 3.737 682 HA2 GLY 84 2HA GLY 84 8.051 7.046 3.526 683 HA3 GLY 84 1HA GLY 84 6.904 6.690 4.818 684 H GLY 85 H GLY 85 8.174 5.361 2.210 685 HA2 GLY 85 2HA GLY 85 5.759 3.999 1.224 686 HA3 GLY 85 1HA GLY 85 7.301 4.119 0.386 687 H VAL 86 H VAL 86 6.027 1.723 0.728 688 HA VAL 86 HA VAL 86 8.027 0.129 2.014 689 HB VAL 86 HB VAL 86 6.719 0.438 3.977 690 HG11 VAL 86 1HG1 VAL 86 4.282 0.087 4.133 691 HG12 VAL 86 2HG1 VAL 86 4.213 -0.222 2.396 692 HG13 VAL 86 3HG1 VAL 86 4.682 1.373 2.991 693 HG21 VAL 86 3HG2 VAL 86 5.888 -2.250 2.821 694 HG22 VAL 86 1HG2 VAL 86 5.877 -1.814 4.533 695 HG23 VAL 86 2HG2 VAL 86 7.406 -1.900 3.656 696 H ILE 87 H ILE 87 8.444 -1.257 0.447 697 HA ILE 87 HA ILE 87 6.305 -2.369 -1.240 698 HB ILE 87 HB ILE 87 9.322 -2.762 -1.464 699 HG12 ILE 87 2HG1 ILE 87 7.509 -1.142 -3.300 700 HG13 ILE 87 1HG1 ILE 87 8.416 -0.415 -1.990 701 HG21 ILE 87 1HG2 ILE 87 8.083 -4.701 -2.354 702 HG22 ILE 87 2HG2 ILE 87 8.833 -3.792 -3.669 703 HG23 ILE 87 3HG2 ILE 87 7.102 -3.628 -3.356 704 HD11 ILE 87 3HD1 ILE 87 9.524 -0.097 -4.113 705 HD12 ILE 87 1HD1 ILE 87 9.587 -1.840 -4.374 706 HD13 ILE 87 2HD1 ILE 87 10.506 -1.108 -3.055 707 H ILE 88 H ILE 88 5.294 -3.557 0.362 708 HA ILE 88 HA ILE 88 6.793 -5.698 1.707 709 HB ILE 88 HB ILE 88 5.402 -4.504 3.263 710 HG12 ILE 88 2HG1 ILE 88 3.997 -7.141 2.620 711 HG13 ILE 88 1HG1 ILE 88 5.481 -6.983 3.549 712 HG21 ILE 88 1HG2 ILE 88 3.016 -4.973 1.451 713 HG22 ILE 88 2HG2 ILE 88 3.839 -3.434 1.723 714 HG23 ILE 88 3HG2 ILE 88 2.971 -4.212 3.047 715 HD11 ILE 88 3HD1 ILE 88 4.262 -5.793 5.303 716 HD12 ILE 88 1HD1 ILE 88 3.546 -7.371 4.979 717 HD13 ILE 88 2HD1 ILE 88 2.768 -5.915 4.369 718 H VAL 89 H VAL 89 7.015 -7.453 0.544 719 HA VAL 89 HA VAL 89 5.361 -8.395 -1.522 720 HB VAL 89 HB VAL 89 7.583 -9.648 0.153 721 HG11 VAL 89 1HG1 VAL 89 7.570 -11.635 -1.236 722 HG12 VAL 89 2HG1 VAL 89 6.148 -11.035 -2.115 723 HG13 VAL 89 3HG1 VAL 89 6.021 -11.472 -0.405 724 HG21 VAL 89 3HG2 VAL 89 7.415 -9.115 -2.810 725 HG22 VAL 89 1HG2 VAL 89 8.835 -9.673 -1.909 726 HG23 VAL 89 2HG2 VAL 89 8.205 -8.038 -1.634 727 H VAL 90 H VAL 90 3.961 -10.136 -1.487 728 HA VAL 90 HA VAL 90 3.096 -11.218 1.107 729 HB VAL 90 HB VAL 90 1.368 -9.608 0.593 730 HG11 VAL 90 1HG1 VAL 90 0.158 -9.493 -1.430 731 HG12 VAL 90 2HG1 VAL 90 1.242 -10.696 -2.142 732 HG13 VAL 90 3HG1 VAL 90 1.874 -9.124 -1.632 733 HG21 VAL 90 3HG2 VAL 90 0.529 -11.772 1.423 734 HG22 VAL 90 1HG2 VAL 90 0.331 -12.321 -0.245 735 HG23 VAL 90 2HG2 VAL 90 -0.642 -10.979 0.369 736 H LYS 91 H LYS 91 3.311 -13.323 1.069 737 HA LYS 91 HA LYS 91 3.585 -14.815 -1.411 738 HB2 LYS 91 2HB LYS 91 3.743 -15.742 1.489 739 HB3 LYS 91 1HB LYS 91 4.223 -16.677 0.072 740 HG2 LYS 91 2HG LYS 91 6.040 -15.087 -0.391 741 HG3 LYS 91 1HG LYS 91 5.533 -14.084 0.975 742 HD2 LYS 91 2HD LYS 91 6.061 -15.943 2.531 743 HD3 LYS 91 1HD LYS 91 6.557 -16.950 1.168 744 HE2 LYS 91 2HE LYS 91 8.390 -15.394 0.670 745 HE3 LYS 91 1HE LYS 91 7.871 -14.335 1.982 746 HZ1 LYS 91 3HZ LYS 91 8.381 -16.065 3.556 747 HZ2 LYS 91 1HZ LYS 91 9.741 -15.739 2.605 748 HZ3 LYS 91 2HZ LYS 91 8.820 -17.128 2.319 749 H TYR 92 H TYR 92 1.393 -14.504 -2.160 750 HA TYR 92 HA TYR 92 -0.886 -15.629 -0.872 751 HB2 TYR 92 2HB TYR 92 -0.279 -15.083 -3.809 752 HB3 TYR 92 1HB TYR 92 -1.790 -15.825 -3.309 753 HD1 TYR 92 2HD TYR 92 0.241 -12.726 -3.042 754 HD2 TYR 92 1HD TYR 92 -3.597 -14.470 -2.472 755 HE1 TYR 92 2HE TYR 92 -0.740 -10.519 -2.646 756 HE2 TYR 92 1HE TYR 92 -4.551 -12.255 -2.091 757 HH TYR 92 HH TYR 92 -2.852 -9.395 -2.848 758 H GLU 93 H GLU 93 -2.027 -17.466 -2.344 759 HA GLU 93 HA GLU 93 -0.967 -19.918 -1.686 760 HB2 GLU 93 2HB GLU 93 -3.356 -19.267 -2.307 761 HB3 GLU 93 1HB GLU 93 -2.852 -19.313 -3.991 762 HG2 GLU 93 2HG GLU 93 -2.247 -21.705 -3.703 763 HG3 GLU 93 1HG GLU 93 -2.868 -21.629 -2.054 764 H GLU 94 H GLU 94 -0.599 -18.032 -4.650 765 HA GLU 94 HA GLU 94 1.288 -19.987 -5.796 766 HB2 GLU 94 2HB GLU 94 -0.873 -18.612 -7.448 767 HB3 GLU 94 1HB GLU 94 0.240 -19.876 -7.974 768 HG2 GLU 94 2HG GLU 94 -0.932 -21.325 -6.133 769 HG3 GLU 94 1HG GLU 94 -2.194 -20.105 -6.204 770 H GLY 95 H GLY 95 0.681 -16.649 -5.089 771 HA2 GLY 95 2HA GLY 95 2.835 -15.800 -6.972 772 HA3 GLY 95 1HA GLY 95 1.291 -14.974 -6.985 773 H ASN 96 H ASN 96 4.245 -14.286 -6.205 774 HA ASN 96 HA ASN 96 3.688 -12.860 -3.688 775 HB2 ASN 96 2HB ASN 96 6.128 -12.509 -5.461 776 HB3 ASN 96 1HB ASN 96 5.896 -11.848 -3.866 777 HD21 ASN 96 1HD2 ASN 96 5.958 -13.223 -2.084 778 HD22 ASN 96 2HD2 ASN 96 6.817 -14.690 -2.173 779 H VAL 97 H VAL 97 2.842 -10.904 -3.630 780 HA VAL 97 HA VAL 97 3.079 -9.201 -6.042 781 HB VAL 97 HB VAL 97 1.029 -8.728 -3.855 782 HG11 VAL 97 1HG1 VAL 97 1.129 -7.877 -6.768 783 HG12 VAL 97 2HG1 VAL 97 1.455 -6.851 -5.370 784 HG13 VAL 97 3HG1 VAL 97 -0.168 -7.488 -5.633 785 HG21 VAL 97 3HG2 VAL 97 -0.680 -9.873 -5.218 786 HG22 VAL 97 1HG2 VAL 97 0.562 -10.972 -4.612 787 HG23 VAL 97 2HG2 VAL 97 0.588 -10.453 -6.304 788 H ASN 98 H ASN 98 4.275 -7.415 -5.800 789 HA ASN 98 HA ASN 98 5.591 -7.029 -3.182 790 HB2 ASN 98 2HB ASN 98 6.377 -6.236 -6.024 791 HB3 ASN 98 1HB ASN 98 7.299 -5.764 -4.605 792 HD21 ASN 98 1HD2 ASN 98 5.793 -8.948 -5.166 793 HD22 ASN 98 2HD2 ASN 98 7.280 -9.804 -5.226 794 H TYR 99 H TYR 99 3.704 -5.932 -2.385 795 HA TYR 99 HA TYR 99 2.415 -3.789 -3.711 796 HB2 TYR 99 2HB TYR 99 2.259 -4.935 -0.924 797 HB3 TYR 99 1HB TYR 99 1.399 -3.456 -1.309 798 HD1 TYR 99 1HD TYR 99 -0.252 -3.544 -3.344 799 HD2 TYR 99 2HD TYR 99 1.213 -7.013 -1.345 800 HE1 TYR 99 1HE TYR 99 -2.180 -4.837 -4.157 801 HE2 TYR 99 2HE TYR 99 -0.704 -8.288 -2.149 802 HH TYR 99 HH TYR 99 -3.188 -7.596 -2.886 803 H SER 100 H SER 100 3.624 -2.034 -4.174 804 HA SER 100 HA SER 100 5.302 -0.696 -2.216 805 HB2 SER 100 2HB SER 100 5.988 -0.732 -4.581 806 HB3 SER 100 1HB SER 100 4.523 0.120 -5.049 807 HG SER 100 HG SER 100 5.268 1.940 -4.093 808 H LEU 101 H LEU 101 3.648 -0.421 -0.683 809 HA LEU 101 HA LEU 101 1.519 1.504 -1.075 810 HB2 LEU 101 2HB LEU 101 2.431 -0.276 1.161 811 HB3 LEU 101 1HB LEU 101 1.535 1.157 1.611 812 HG LEU 101 HG LEU 101 0.105 -0.909 1.312 813 HD11 LEU 101 1HD1 LEU 101 -0.861 1.260 1.291 814 HD12 LEU 101 2HD1 LEU 101 -1.694 0.182 0.186 815 HD13 LEU 101 3HD1 LEU 101 -0.576 1.395 -0.446 816 HD21 LEU 101 3HD2 LEU 101 0.653 -0.578 -1.627 817 HD22 LEU 101 1HD2 LEU 101 -0.444 -1.741 -0.873 818 HD23 LEU 101 2HD2 LEU 101 1.292 -1.879 -0.620 819 H ALA 102 H ALA 102 1.389 3.534 0.111 820 HA ALA 102 HA ALA 102 3.778 4.737 1.202 821 HB1 ALA 102 1HB ALA 102 4.056 6.441 -0.573 822 HB2 ALA 102 2HB ALA 102 2.832 5.629 -1.550 823 HB3 ALA 102 3HB ALA 102 4.353 4.814 -1.190 824 H TYR 103 H TYR 103 3.290 6.621 2.297 825 HA TYR 103 HA TYR 103 0.811 8.064 2.011 826 HB2 TYR 103 2HB TYR 103 0.116 7.599 4.440 827 HB3 TYR 103 1HB TYR 103 -0.221 6.376 3.233 828 HD1 TYR 103 2HD TYR 103 2.430 7.190 5.817 829 HD2 TYR 103 1HD TYR 103 0.226 4.188 3.743 830 HE1 TYR 103 2HE TYR 103 3.361 5.449 7.296 831 HE2 TYR 103 1HE TYR 103 1.144 2.474 5.190 832 HH TYR 103 HH TYR 103 2.938 2.092 6.649 833 H ASP 104 H ASP 104 0.539 9.732 3.774 834 HA ASP 104 HA ASP 104 2.999 11.173 4.168 835 HB2 ASP 104 2HB ASP 104 1.406 12.697 5.586 836 HB3 ASP 104 1HB ASP 104 1.151 12.594 3.847 837 H GLU 105 H GLU 105 3.413 12.167 6.397 838 HA GLU 105 HA GLU 105 4.374 10.260 8.187 839 HB2 GLU 105 2HB GLU 105 3.862 13.236 8.485 840 HB3 GLU 105 1HB GLU 105 4.650 12.289 9.746 841 HG2 GLU 105 2HG GLU 105 6.539 11.848 8.437 842 HG3 GLU 105 1HG GLU 105 5.724 12.228 6.929 843 H ASP 106 H ASP 106 1.179 11.705 8.028 844 HA ASP 106 HA ASP 106 0.374 10.957 10.691 845 HB2 ASP 106 2HB ASP 106 -0.835 12.764 9.602 846 HB3 ASP 106 1HB ASP 106 -1.257 11.743 8.233 847 H MET 107 H MET 107 -0.906 9.661 7.548 848 HA MET 107 HA MET 107 -0.256 6.991 7.928 849 HB2 MET 107 2HB MET 107 -2.099 7.619 9.858 850 HB3 MET 107 1HB MET 107 -3.182 7.134 8.576 851 HG2 MET 107 2HG MET 107 -1.370 5.070 8.561 852 HG3 MET 107 1HG MET 107 -1.415 5.526 10.254 853 HE1 MET 107 3HE MET 107 -4.904 3.884 7.736 854 HE2 MET 107 1HE MET 107 -3.204 3.916 7.260 855 HE3 MET 107 2HE MET 107 -4.126 5.421 7.349 856 H ASN 108 H ASN 108 -1.824 9.381 6.072 857 HA ASN 108 HA ASN 108 -3.982 7.674 5.096 858 HB2 ASN 108 2HB ASN 108 -3.426 10.480 4.094 859 HB3 ASN 108 1HB ASN 108 -4.954 9.618 4.136 860 HD21 ASN 108 1HD2 ASN 108 -2.713 11.529 5.831 861 HD22 ASN 108 2HD2 ASN 108 -3.619 11.754 7.258 862 H LEU 109 H LEU 109 -3.829 6.429 3.295 863 HA LEU 109 HA LEU 109 -1.468 6.147 1.857 864 HB2 LEU 109 2HB LEU 109 -4.278 5.259 1.127 865 HB3 LEU 109 1HB LEU 109 -2.909 4.916 0.080 866 HG LEU 109 HG LEU 109 -3.308 2.955 1.332 867 HD11 LEU 109 1HD1 LEU 109 -0.972 3.478 1.069 868 HD12 LEU 109 2HD1 LEU 109 -1.242 2.647 2.599 869 HD13 LEU 109 3HD1 LEU 109 -0.967 4.391 2.585 870 HD21 LEU 109 3HD2 LEU 109 -3.351 4.638 3.837 871 HD22 LEU 109 1HD2 LEU 109 -3.372 2.869 3.793 872 HD23 LEU 109 2HD2 LEU 109 -4.701 3.779 3.078 873 H VAL 110 H VAL 110 -0.542 7.429 0.657 874 HA VAL 110 HA VAL 110 -1.911 9.405 -1.005 875 HB VAL 110 HB VAL 110 0.213 9.635 0.699 876 HG11 VAL 110 1HG1 VAL 110 1.621 9.230 -1.948 877 HG12 VAL 110 2HG1 VAL 110 1.744 8.184 -0.533 878 HG13 VAL 110 3HG1 VAL 110 2.349 9.844 -0.459 879 HG21 VAL 110 3HG2 VAL 110 -1.013 11.468 -0.296 880 HG22 VAL 110 1HG2 VAL 110 -0.106 11.294 -1.802 881 HG23 VAL 110 2HG2 VAL 110 0.722 11.771 -0.315 882 H SER 111 H SER 111 -0.306 6.377 -1.110 883 HA SER 111 HA SER 111 -0.971 5.976 -3.870 884 HB2 SER 111 2HB SER 111 1.932 5.721 -2.955 885 HB3 SER 111 1HB SER 111 1.312 5.167 -4.509 886 HG SER 111 HG SER 111 0.580 7.583 -4.540 887 H PHE 112 H PHE 112 -1.321 3.839 -4.277 888 HA PHE 112 HA PHE 112 -0.347 1.737 -2.469 889 HB2 PHE 112 2HB PHE 112 -2.590 1.809 -1.657 890 HB3 PHE 112 1HB PHE 112 -3.261 2.239 -3.209 891 HD1 PHE 112 1HD PHE 112 -3.584 0.398 -4.981 892 HD2 PHE 112 2HD PHE 112 -2.320 -0.543 -0.978 893 HE1 PHE 112 1HE PHE 112 -4.219 -1.952 -5.315 894 HE2 PHE 112 2HE PHE 112 -2.971 -2.878 -1.353 895 HZ PHE 112 HZ PHE 112 -3.909 -3.595 -3.510 896 H THR 113 H THR 113 0.835 0.503 -3.805 897 HA THR 113 HA THR 113 -0.087 0.022 -6.560 898 HB THR 113 HB THR 113 2.868 0.615 -6.098 899 HG1 THR 113 1HG THR 113 0.757 2.488 -6.457 900 HG21 THR 113 3HG2 THR 113 2.168 -0.377 -8.277 901 HG22 THR 113 1HG2 THR 113 2.809 1.259 -8.479 902 HG23 THR 113 2HG2 THR 113 1.067 0.984 -8.522 903 H MET 114 H MET 114 1.466 -1.790 -7.518 904 HA MET 114 HA MET 114 2.013 -3.821 -5.508 905 HB2 MET 114 2HB MET 114 0.461 -5.422 -6.702 906 HB3 MET 114 1HB MET 114 -0.282 -4.179 -5.714 907 HG2 MET 114 2HG MET 114 -1.602 -4.225 -7.577 908 HG3 MET 114 1HG MET 114 -0.544 -2.890 -7.921 909 HE1 MET 114 3HE MET 114 -1.379 -6.587 -8.585 910 HE2 MET 114 1HE MET 114 0.343 -6.754 -8.245 911 HE3 MET 114 2HE MET 114 -0.267 -7.042 -9.877 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 15.496 18.210 -1.817 2 H2 GLY 1 2HT GLY 1 14.276 19.252 -1.291 3 H3 GLY 1 3HT GLY 1 14.427 18.890 -2.935 4 HA2 GLY 1 1HA GLY 1 13.656 17.007 -0.778 5 HA3 GLY 1 2HA GLY 1 12.588 17.674 -2.004 6 H GLU 2 H GLU 2 14.282 14.988 -1.202 7 HA GLU 2 HA GLU 2 14.486 14.018 -3.994 8 HB2 GLU 2 2HB GLU 2 16.402 12.612 -3.369 9 HB3 GLU 2 1HB GLU 2 16.785 14.298 -3.061 10 HG2 GLU 2 2HG GLU 2 15.902 12.340 -0.910 11 HG3 GLU 2 1HG GLU 2 17.587 12.666 -1.307 12 H ILE 3 H ILE 3 14.381 11.564 -4.028 13 HA ILE 3 HA ILE 3 12.300 10.612 -2.132 14 HB ILE 3 HB ILE 3 12.899 9.568 -4.967 15 HG12 ILE 3 2HG1 ILE 3 12.170 11.912 -5.150 16 HG13 ILE 3 1HG1 ILE 3 10.922 10.845 -5.756 17 HG21 ILE 3 1HG2 ILE 3 10.488 9.096 -3.172 18 HG22 ILE 3 2HG2 ILE 3 11.744 7.923 -3.567 19 HG23 ILE 3 3HG2 ILE 3 10.665 8.507 -4.832 20 HD11 ILE 3 3HD1 ILE 3 9.995 12.690 -4.507 21 HD12 ILE 3 1HD1 ILE 3 10.926 12.234 -3.081 22 HD13 ILE 3 2HD1 ILE 3 9.654 11.168 -3.689 23 H LEU 4 H LEU 4 12.813 9.003 -0.911 24 HA LEU 4 HA LEU 4 15.547 8.132 -0.734 25 HB2 LEU 4 2HB LEU 4 13.151 7.768 1.097 26 HB3 LEU 4 1HB LEU 4 14.800 7.346 1.506 27 HG LEU 4 HG LEU 4 14.036 9.401 2.577 28 HD11 LEU 4 1HD1 LEU 4 16.280 9.932 0.645 29 HD12 LEU 4 2HD1 LEU 4 16.418 9.143 2.220 30 HD13 LEU 4 3HD1 LEU 4 15.952 10.839 2.125 31 HD21 LEU 4 3HD2 LEU 4 12.490 10.266 0.955 32 HD22 LEU 4 1HD2 LEU 4 13.839 10.700 -0.102 33 HD23 LEU 4 2HD2 LEU 4 13.654 11.481 1.468 34 H LYS 5 H LYS 5 16.226 6.026 -0.554 35 HA LYS 5 HA LYS 5 14.535 3.831 -1.469 36 HB2 LYS 5 2HB LYS 5 17.528 3.978 -0.932 37 HB3 LYS 5 1HB LYS 5 16.682 2.603 -1.581 38 HG2 LYS 5 2HG LYS 5 17.750 3.618 -3.422 39 HG3 LYS 5 1HG LYS 5 16.045 4.034 -3.574 40 HD2 LYS 5 2HD LYS 5 16.480 6.286 -2.725 41 HD3 LYS 5 1HD LYS 5 18.164 5.875 -2.389 42 HE2 LYS 5 2HE LYS 5 16.903 5.951 -5.153 43 HE3 LYS 5 1HE LYS 5 17.904 7.226 -4.453 44 HZ1 LYS 5 3HZ LYS 5 19.159 5.768 -5.942 45 HZ2 LYS 5 1HZ LYS 5 18.807 4.436 -4.960 46 HZ3 LYS 5 2HZ LYS 5 19.761 5.696 -4.361 47 H GLU 6 H GLU 6 14.348 5.206 1.173 48 HA GLU 6 HA GLU 6 14.371 3.027 3.055 49 HB2 GLU 6 2HB GLU 6 15.939 4.069 4.640 50 HB3 GLU 6 1HB GLU 6 16.768 3.791 3.114 51 HG2 GLU 6 2HG GLU 6 16.377 6.190 2.510 52 HG3 GLU 6 1HG GLU 6 15.662 6.447 4.111 53 H LEU 7 H LEU 7 13.649 3.979 5.248 54 HA LEU 7 HA LEU 7 11.521 5.902 4.893 55 HB2 LEU 7 2HB LEU 7 12.618 4.433 7.315 56 HB3 LEU 7 1HB LEU 7 11.228 5.520 7.393 57 HG LEU 7 HG LEU 7 11.444 2.871 5.911 58 HD11 LEU 7 1HD1 LEU 7 11.115 2.677 8.303 59 HD12 LEU 7 2HD1 LEU 7 9.707 2.127 7.402 60 HD13 LEU 7 3HD1 LEU 7 9.677 3.702 8.207 61 HD21 LEU 7 3HD2 LEU 7 9.086 4.792 5.908 62 HD22 LEU 7 1HD2 LEU 7 9.105 3.157 5.226 63 HD23 LEU 7 2HD2 LEU 7 10.125 4.411 4.533 64 HA PRO 8 HA PRO 8 14.353 9.402 5.986 65 HB2 PRO 8 2HB PRO 8 12.407 11.353 5.510 66 HB3 PRO 8 1HB PRO 8 13.462 10.671 4.255 67 HG2 PRO 8 2HG PRO 8 10.631 9.982 4.910 68 HG3 PRO 8 1HG PRO 8 11.420 10.119 3.326 69 HD2 PRO 8 2HD PRO 8 10.936 7.713 4.490 70 HD3 PRO 8 1HD PRO 8 12.333 7.991 3.444 71 H GLU 9 H GLU 9 13.039 11.658 7.186 72 HA GLU 9 HA GLU 9 13.238 10.767 9.891 73 HB2 GLU 9 2HB GLU 9 12.545 13.504 8.756 74 HB3 GLU 9 1HB GLU 9 12.783 13.178 10.471 75 HG2 GLU 9 2HG GLU 9 14.802 14.112 9.670 76 HG3 GLU 9 1HG GLU 9 15.085 12.391 9.950 77 H GLY 10 H GLY 10 11.738 10.345 11.346 78 HA2 GLY 10 2HA GLY 10 9.779 10.536 12.539 79 HA3 GLY 10 1HA GLY 10 9.123 11.560 11.273 80 H PHE 11 H PHE 11 10.467 8.389 10.507 81 HA PHE 11 HA PHE 11 7.773 7.117 10.657 82 HB2 PHE 11 2HB PHE 11 9.675 6.504 8.365 83 HB3 PHE 11 1HB PHE 11 8.011 6.037 8.516 84 HD1 PHE 11 2HD PHE 11 6.187 7.858 8.239 85 HD2 PHE 11 1HD PHE 11 10.283 8.518 7.445 86 HE1 PHE 11 2HE PHE 11 5.605 9.882 7.035 87 HE2 PHE 11 1HE PHE 11 9.708 10.583 6.238 88 HZ PHE 11 HZ PHE 11 7.367 11.252 6.041 89 H ASP 12 H ASP 12 7.896 4.749 10.693 90 HA ASP 12 HA ASP 12 10.334 3.601 11.908 91 HB2 ASP 12 2HB ASP 12 7.511 3.682 13.016 92 HB3 ASP 12 1HB ASP 12 8.504 2.283 13.357 93 H LYS 13 H LYS 13 10.838 1.601 11.088 94 HA LYS 13 HA LYS 13 9.667 0.560 8.792 95 HB2 LYS 13 2HB LYS 13 11.447 -0.808 10.848 96 HB3 LYS 13 1HB LYS 13 11.148 -1.376 9.217 97 HG2 LYS 13 2HG LYS 13 12.217 0.627 8.289 98 HG3 LYS 13 1HG LYS 13 12.478 1.243 9.921 99 HD2 LYS 13 2HD LYS 13 14.549 0.315 9.172 100 HD3 LYS 13 1HD LYS 13 13.903 -0.787 10.385 101 HE2 LYS 13 2HE LYS 13 13.136 -2.306 8.625 102 HE3 LYS 13 1HE LYS 13 13.677 -1.163 7.385 103 HZ1 LYS 13 3HZ LYS 13 15.453 -2.491 9.362 104 HZ2 LYS 13 1HZ LYS 13 15.942 -1.484 8.099 105 HZ3 LYS 13 2HZ LYS 13 15.250 -2.987 7.763 106 H GLU 14 H GLU 14 9.356 -0.379 12.168 107 HA GLU 14 HA GLU 14 7.781 -2.686 11.900 108 HB2 GLU 14 2HB GLU 14 7.983 -0.710 14.208 109 HB3 GLU 14 1HB GLU 14 7.274 -2.323 14.322 110 HG2 GLU 14 2HG GLU 14 9.423 -3.356 13.817 111 HG3 GLU 14 1HG GLU 14 10.158 -1.775 13.545 112 H THR 15 H THR 15 6.826 0.717 12.447 113 HA THR 15 HA THR 15 4.025 0.363 12.524 114 HB THR 15 HB THR 15 5.661 2.801 11.675 115 HG1 THR 15 1HG THR 15 4.685 1.871 14.175 116 HG21 THR 15 3HG2 THR 15 2.742 2.661 12.540 117 HG22 THR 15 1HG2 THR 15 3.315 3.025 10.911 118 HG23 THR 15 2HG2 THR 15 3.654 4.142 12.234 119 H VAL 16 H VAL 16 6.243 1.149 9.866 120 HA VAL 16 HA VAL 16 4.243 1.640 7.901 121 HB VAL 16 HB VAL 16 7.285 1.394 7.730 122 HG11 VAL 16 1HG1 VAL 16 5.402 2.239 5.496 123 HG12 VAL 16 2HG1 VAL 16 6.398 0.785 5.518 124 HG13 VAL 16 3HG1 VAL 16 7.165 2.371 5.455 125 HG21 VAL 16 3HG2 VAL 16 7.210 3.861 7.456 126 HG22 VAL 16 1HG2 VAL 16 6.413 3.378 8.956 127 HG23 VAL 16 2HG2 VAL 16 5.447 3.829 7.551 128 H ARG 17 H ARG 17 6.093 -1.146 8.830 129 HA ARG 17 HA ARG 17 5.588 -2.870 6.632 130 HB2 ARG 17 2HB ARG 17 7.318 -3.245 8.366 131 HB3 ARG 17 1HB ARG 17 6.081 -3.561 9.552 132 HG2 ARG 17 2HG ARG 17 6.159 -5.235 7.060 133 HG3 ARG 17 1HG ARG 17 7.393 -5.483 8.277 134 HD2 ARG 17 2HD ARG 17 4.416 -5.863 8.515 135 HD3 ARG 17 1HD ARG 17 5.702 -7.033 8.795 136 HE ARG 17 HE ARG 17 6.024 -4.976 10.668 137 HH11 ARG 17 1HH1 ARG 17 3.682 -7.509 9.995 138 HH12 ARG 17 2HH1 ARG 17 3.140 -7.593 11.641 139 HH21 ARG 17 1HH2 ARG 17 5.243 -5.069 12.794 140 HH22 ARG 17 2HH2 ARG 17 4.019 -6.222 13.213 141 H LYS 18 H LYS 18 4.052 -2.599 9.832 142 HA LYS 18 HA LYS 18 2.061 -4.565 9.442 143 HB2 LYS 18 2HB LYS 18 3.078 -3.681 11.623 144 HB3 LYS 18 1HB LYS 18 2.034 -2.276 11.461 145 HG2 LYS 18 2HG LYS 18 0.938 -5.096 11.566 146 HG3 LYS 18 1HG LYS 18 1.305 -4.192 13.026 147 HD2 LYS 18 2HD LYS 18 -0.719 -3.376 10.895 148 HD3 LYS 18 1HD LYS 18 -1.104 -4.083 12.467 149 HE2 LYS 18 2HE LYS 18 -0.098 -2.097 13.572 150 HE3 LYS 18 1HE LYS 18 0.226 -1.391 11.989 151 HZ1 LYS 18 3HZ LYS 18 -2.096 -1.256 11.563 152 HZ2 LYS 18 1HZ LYS 18 -1.804 -0.568 13.080 153 HZ3 LYS 18 2HZ LYS 18 -2.477 -2.116 12.966 154 H GLN 19 H GLN 19 2.079 -1.040 9.108 155 HA GLN 19 HA GLN 19 -0.815 -0.861 8.676 156 HB2 GLN 19 2HB GLN 19 0.849 0.804 10.014 157 HB3 GLN 19 1HB GLN 19 0.998 1.548 8.436 158 HG2 GLN 19 2HG GLN 19 -1.518 1.234 10.108 159 HG3 GLN 19 1HG GLN 19 -0.659 2.728 9.719 160 HE21 GLN 19 1HE2 GLN 19 -2.809 0.252 8.478 161 HE22 GLN 19 2HE2 GLN 19 -3.279 1.117 7.063 162 H ALA 20 H ALA 20 -0.003 -2.332 6.760 163 HA ALA 20 HA ALA 20 -0.433 -0.882 4.332 164 HB1 ALA 20 1HB ALA 20 2.015 -0.607 4.484 165 HB2 ALA 20 2HB ALA 20 1.609 -1.709 3.166 166 HB3 ALA 20 3HB ALA 20 2.224 -2.352 4.695 167 H MET 21 H MET 21 0.591 -3.819 5.963 168 HA MET 21 HA MET 21 -0.326 -5.858 4.314 169 HB2 MET 21 2HB MET 21 -0.453 -5.778 7.358 170 HB3 MET 21 1HB MET 21 -0.440 -7.225 6.363 171 HG2 MET 21 2HG MET 21 1.858 -6.499 5.568 172 HG3 MET 21 1HG MET 21 1.824 -5.294 6.856 173 HE1 MET 21 3HE MET 21 1.289 -7.926 9.923 174 HE2 MET 21 1HE MET 21 -0.037 -7.457 8.859 175 HE3 MET 21 2HE MET 21 1.077 -6.233 9.474 176 H GLU 22 H GLU 22 -2.033 -3.946 6.714 177 HA GLU 22 HA GLU 22 -4.502 -5.309 6.803 178 HB2 GLU 22 2HB GLU 22 -3.929 -2.361 7.357 179 HB3 GLU 22 1HB GLU 22 -5.324 -3.273 7.942 180 HG2 GLU 22 2HG GLU 22 -3.944 -4.596 9.402 181 HG3 GLU 22 1HG GLU 22 -2.465 -3.966 8.671 182 H ASP 23 H ASP 23 -3.404 -2.423 5.047 183 HA ASP 23 HA ASP 23 -5.867 -1.743 3.809 184 HB2 ASP 23 2HB ASP 23 -3.060 -0.992 2.845 185 HB3 ASP 23 1HB ASP 23 -4.561 -0.118 2.525 186 H ILE 24 H ILE 24 -3.220 -3.828 2.869 187 HA ILE 24 HA ILE 24 -3.832 -4.436 0.195 188 HB ILE 24 HB ILE 24 -2.575 -6.071 2.444 189 HG12 ILE 24 2HG1 ILE 24 -1.272 -4.834 -0.020 190 HG13 ILE 24 1HG1 ILE 24 -1.378 -4.026 1.535 191 HG21 ILE 24 1HG2 ILE 24 -2.747 -6.926 -0.468 192 HG22 ILE 24 2HG2 ILE 24 -3.514 -7.724 0.905 193 HG23 ILE 24 3HG2 ILE 24 -1.757 -7.710 0.768 194 HD11 ILE 24 3HD1 ILE 24 0.809 -4.974 1.212 195 HD12 ILE 24 1HD1 ILE 24 0.124 -6.578 0.959 196 HD13 ILE 24 2HD1 ILE 24 -0.003 -5.801 2.541 197 H GLU 25 H GLU 25 -5.019 -5.804 3.252 198 HA GLU 25 HA GLU 25 -6.699 -7.804 2.078 199 HB2 GLU 25 2HB GLU 25 -6.703 -6.676 4.914 200 HB3 GLU 25 1HB GLU 25 -7.502 -8.163 4.396 201 HG2 GLU 25 2HG GLU 25 -5.359 -9.191 3.883 202 HG3 GLU 25 1HG GLU 25 -4.504 -7.696 4.261 203 H ILE 26 H ILE 26 -7.152 -4.476 3.067 204 HA ILE 26 HA ILE 26 -10.008 -4.407 2.944 205 HB ILE 26 HB ILE 26 -8.161 -2.022 2.422 206 HG12 ILE 26 2HG1 ILE 26 -7.414 -3.093 4.525 207 HG13 ILE 26 1HG1 ILE 26 -8.168 -1.543 4.853 208 HG21 ILE 26 1HG2 ILE 26 -10.013 -0.710 3.434 209 HG22 ILE 26 2HG2 ILE 26 -10.966 -2.191 3.589 210 HG23 ILE 26 3HG2 ILE 26 -10.525 -1.584 1.992 211 HD11 ILE 26 3HD1 ILE 26 -8.773 -3.201 6.488 212 HD12 ILE 26 1HD1 ILE 26 -9.427 -4.252 5.236 213 HD13 ILE 26 2HD1 ILE 26 -10.194 -2.698 5.578 214 H ALA 27 H ALA 27 -7.411 -4.165 0.591 215 HA ALA 27 HA ALA 27 -9.077 -3.368 -1.646 216 HB1 ALA 27 1HB ALA 27 -6.235 -4.453 -1.578 217 HB2 ALA 27 2HB ALA 27 -6.700 -2.750 -1.579 218 HB3 ALA 27 3HB ALA 27 -7.035 -3.757 -2.990 219 H GLN 28 H GLN 28 -7.773 -6.371 -0.299 220 HA GLN 28 HA GLN 28 -8.445 -8.149 -2.390 221 HB2 GLN 28 2HB GLN 28 -7.984 -8.634 0.585 222 HB3 GLN 28 1HB GLN 28 -8.288 -9.945 -0.550 223 HG2 GLN 28 2HG GLN 28 -6.245 -9.326 -1.798 224 HG3 GLN 28 1HG GLN 28 -5.931 -8.037 -0.642 225 HE21 GLN 28 1HE2 GLN 28 -5.145 -8.597 1.440 226 HE22 GLN 28 2HE2 GLN 28 -4.553 -10.177 1.806 227 H SER 29 H SER 29 -10.454 -6.607 -0.041 228 HA SER 29 HA SER 29 -12.598 -8.639 -0.328 229 HB2 SER 29 2HB SER 29 -12.287 -6.459 1.759 230 HB3 SER 29 1HB SER 29 -13.511 -7.736 1.747 231 HG SER 29 HG SER 29 -10.839 -7.832 2.440 232 H LYS 30 H LYS 30 -11.785 -6.014 -1.975 233 HA LYS 30 HA LYS 30 -12.744 -4.382 -3.169 234 HB2 LYS 30 2HB LYS 30 -15.265 -6.079 -3.057 235 HB3 LYS 30 1HB LYS 30 -14.919 -4.802 -4.210 236 HG2 LYS 30 2HG LYS 30 -14.424 -6.610 -5.519 237 HG3 LYS 30 1HG LYS 30 -12.833 -6.349 -4.801 238 HD2 LYS 30 2HD LYS 30 -13.269 -8.120 -3.138 239 HD3 LYS 30 1HD LYS 30 -14.902 -8.339 -3.776 240 HE2 LYS 30 2HE LYS 30 -13.815 -8.937 -6.000 241 HE3 LYS 30 1HE LYS 30 -12.276 -8.978 -5.141 242 HZ1 LYS 30 3HZ LYS 30 -13.368 -11.151 -5.390 243 HZ2 LYS 30 1HZ LYS 30 -14.636 -10.608 -4.416 244 HZ3 LYS 30 2HZ LYS 30 -13.075 -10.739 -3.776 245 H ASP 31 H ASP 31 -12.511 -3.499 -0.781 246 HA ASP 31 HA ASP 31 -15.030 -2.354 0.158 247 HB2 ASP 31 2HB ASP 31 -12.162 -2.052 1.137 248 HB3 ASP 31 1HB ASP 31 -13.506 -1.127 1.801 249 H TYR 32 H TYR 32 -15.696 -0.434 -0.374 250 HA TYR 32 HA TYR 32 -14.161 1.172 -2.297 251 HB2 TYR 32 2HB TYR 32 -17.081 1.586 -1.525 252 HB3 TYR 32 1HB TYR 32 -16.271 2.038 -3.026 253 HD1 TYR 32 2HD TYR 32 -14.905 -0.540 -3.761 254 HD2 TYR 32 1HD TYR 32 -18.837 0.136 -2.219 255 HE1 TYR 32 2HE TYR 32 -15.630 -2.683 -4.704 256 HE2 TYR 32 1HE TYR 32 -19.576 -1.997 -3.189 257 HH TYR 32 HH TYR 32 -18.930 -3.503 -5.016 258 H GLU 33 H GLU 33 -16.475 1.924 0.333 259 HA GLU 33 HA GLU 33 -15.266 4.451 0.905 260 HB2 GLU 33 2HB GLU 33 -17.324 2.851 2.463 261 HB3 GLU 33 1HB GLU 33 -16.876 4.519 2.821 262 HG2 GLU 33 2HG GLU 33 -18.229 3.494 0.302 263 HG3 GLU 33 1HG GLU 33 -18.959 4.471 1.577 264 H SER 34 H SER 34 -15.143 1.276 2.514 265 HA SER 34 HA SER 34 -13.748 2.097 4.846 266 HB2 SER 34 2HB SER 34 -13.707 -0.685 3.610 267 HB3 SER 34 1HB SER 34 -13.475 -0.260 5.308 268 HG SER 34 HG SER 34 -15.630 -1.054 4.472 269 H TRP 35 H TRP 35 -12.707 1.462 1.616 270 HA TRP 35 HA TRP 35 -9.884 1.127 2.298 271 HB2 TRP 35 2HB TRP 35 -11.084 -0.189 0.465 272 HB3 TRP 35 1HB TRP 35 -11.157 1.302 -0.465 273 HD1 TRP 35 HD TRP 35 -8.128 -0.294 1.442 274 HE1 TRP 35 1HE TRP 35 -6.213 -0.598 -0.242 275 HE3 TRP 35 3HE TRP 35 -10.485 1.390 -2.773 276 HZ2 TRP 35 2HZ TRP 35 -5.760 -0.177 -2.988 277 HZ3 TRP 35 3HZ TRP 35 -9.236 1.409 -4.894 278 HH2 TRP 35 HH TRP 35 -6.915 0.637 -5.001 279 H LYS 36 H LYS 36 -12.023 3.444 0.620 280 HA LYS 36 HA LYS 36 -10.157 5.406 -0.087 281 HB2 LYS 36 2HB LYS 36 -13.118 5.560 0.610 282 HB3 LYS 36 1HB LYS 36 -12.222 7.002 0.145 283 HG2 LYS 36 2HG LYS 36 -11.796 6.150 -2.047 284 HG3 LYS 36 1HG LYS 36 -12.371 4.540 -1.608 285 HD2 LYS 36 2HD LYS 36 -14.006 5.803 -2.985 286 HD3 LYS 36 1HD LYS 36 -14.660 5.335 -1.416 287 HE2 LYS 36 2HE LYS 36 -14.184 7.662 -0.604 288 HE3 LYS 36 1HE LYS 36 -13.674 8.088 -2.240 289 HZ1 LYS 36 3HZ LYS 36 -16.376 7.178 -1.408 290 HZ2 LYS 36 1HZ LYS 36 -15.915 7.493 -3.006 291 HZ3 LYS 36 2HZ LYS 36 -15.934 8.745 -1.872 292 H SER 37 H SER 37 -11.807 4.858 3.015 293 HA SER 37 HA SER 37 -11.248 7.255 4.334 294 HB2 SER 37 2HB SER 37 -11.693 5.887 6.381 295 HB3 SER 37 1HB SER 37 -12.907 5.658 5.132 296 HG SER 37 HG SER 37 -12.281 3.676 5.984 297 H ARG 38 H ARG 38 -9.310 4.429 3.735 298 HA ARG 38 HA ARG 38 -7.150 4.956 5.525 299 HB2 ARG 38 2HB ARG 38 -7.296 3.301 2.972 300 HB3 ARG 38 1HB ARG 38 -5.943 3.281 4.094 301 HG2 ARG 38 2HG ARG 38 -8.773 2.353 4.681 302 HG3 ARG 38 1HG ARG 38 -7.359 1.327 4.411 303 HD2 ARG 38 2HD ARG 38 -6.305 2.506 6.434 304 HD3 ARG 38 1HD ARG 38 -7.910 3.170 6.756 305 HE ARG 38 HE ARG 38 -7.012 0.405 7.041 306 HH11 ARG 38 1HH1 ARG 38 -9.752 2.628 7.175 307 HH12 ARG 38 2HH1 ARG 38 -10.730 1.537 8.098 308 HH21 ARG 38 1HH2 ARG 38 -8.288 -0.971 8.280 309 HH22 ARG 38 2HH2 ARG 38 -9.898 -0.504 8.725 310 H PHE 39 H PHE 39 -7.942 5.890 2.235 311 HA PHE 39 HA PHE 39 -5.371 7.032 1.576 312 HB2 PHE 39 2HB PHE 39 -8.081 6.988 0.190 313 HB3 PHE 39 1HB PHE 39 -6.720 7.897 -0.469 314 HD1 PHE 39 2HD PHE 39 -7.492 4.459 0.816 315 HD2 PHE 39 1HD PHE 39 -5.429 6.806 -2.090 316 HE1 PHE 39 2HE PHE 39 -6.692 2.421 -0.264 317 HE2 PHE 39 1HE PHE 39 -4.642 4.782 -3.180 318 HZ PHE 39 HZ PHE 39 -5.274 2.564 -2.269 319 H THR 40 H THR 40 -5.277 9.297 0.682 320 HA THR 40 HA THR 40 -6.206 11.339 2.489 321 HB THR 40 HB THR 40 -5.039 12.904 1.152 322 HG1 THR 40 1HG THR 40 -4.397 11.888 -1.145 323 HG21 THR 40 3HG2 THR 40 -3.429 11.243 2.000 324 HG22 THR 40 1HG2 THR 40 -2.899 11.942 0.473 325 HG23 THR 40 2HG2 THR 40 -3.599 10.323 0.501 326 H LYS 41 H LYS 41 -7.786 12.880 2.109 327 HA LYS 41 HA LYS 41 -10.192 12.365 0.900 328 HB2 LYS 41 2HB LYS 41 -8.817 14.997 1.374 329 HB3 LYS 41 1HB LYS 41 -10.501 14.896 0.886 330 HG2 LYS 41 2HG LYS 41 -9.283 13.831 3.457 331 HG3 LYS 41 1HG LYS 41 -10.286 15.276 3.292 332 HD2 LYS 41 2HD LYS 41 -12.207 13.854 2.603 333 HD3 LYS 41 1HD LYS 41 -11.204 12.411 2.777 334 HE2 LYS 41 2HE LYS 41 -10.943 12.864 5.179 335 HE3 LYS 41 1HE LYS 41 -11.892 14.342 5.021 336 HZ1 LYS 41 3HZ LYS 41 -13.800 12.997 4.398 337 HZ2 LYS 41 1HZ LYS 41 -13.196 12.535 5.909 338 HZ3 LYS 41 2HZ LYS 41 -12.881 11.582 4.548 339 H ASP 42 H ASP 42 -7.348 13.813 -0.563 340 HA ASP 42 HA ASP 42 -8.309 14.511 -3.115 341 HB2 ASP 42 2HB ASP 42 -6.147 15.236 -2.212 342 HB3 ASP 42 1HB ASP 42 -5.563 13.583 -2.166 343 H LEU 43 H LEU 43 -6.681 11.528 -1.979 344 HA LEU 43 HA LEU 43 -6.766 10.136 -4.444 345 HB2 LEU 43 2HB LEU 43 -6.283 9.232 -1.621 346 HB3 LEU 43 1HB LEU 43 -6.255 8.129 -2.984 347 HG LEU 43 HG LEU 43 -4.148 9.943 -2.008 348 HD11 LEU 43 1HD1 LEU 43 -3.804 7.570 -2.324 349 HD12 LEU 43 2HD1 LEU 43 -2.725 8.468 -3.388 350 HD13 LEU 43 3HD1 LEU 43 -4.190 7.722 -4.045 351 HD21 LEU 43 3HD2 LEU 43 -4.814 11.390 -3.838 352 HD22 LEU 43 1HD2 LEU 43 -4.711 10.030 -4.966 353 HD23 LEU 43 2HD2 LEU 43 -3.258 10.635 -4.162 354 H GLN 44 H GLN 44 -9.009 10.272 -1.700 355 HA GLN 44 HA GLN 44 -10.602 8.059 -2.199 356 HB2 GLN 44 2HB GLN 44 -11.593 10.757 -1.232 357 HB3 GLN 44 1HB GLN 44 -12.391 9.191 -1.015 358 HG2 GLN 44 2HG GLN 44 -10.438 8.433 0.322 359 HG3 GLN 44 1HG GLN 44 -9.742 10.040 0.162 360 HE21 GLN 44 1HE2 GLN 44 -10.250 8.814 2.579 361 HE22 GLN 44 2HE2 GLN 44 -11.437 9.731 3.383 362 H SER 45 H SER 45 -10.708 11.316 -3.528 363 HA SER 45 HA SER 45 -12.881 10.852 -5.363 364 HB2 SER 45 2HB SER 45 -10.918 13.156 -5.246 365 HB3 SER 45 1HB SER 45 -12.505 13.161 -6.012 366 HG SER 45 HG SER 45 -11.800 13.332 -3.316 367 H SER 46 H SER 46 -9.388 10.647 -5.420 368 HA SER 46 HA SER 46 -9.221 10.714 -8.350 369 HB2 SER 46 2HB SER 46 -7.044 10.754 -6.227 370 HB3 SER 46 1HB SER 46 -6.761 10.884 -7.965 371 HG SER 46 HG SER 46 -7.973 12.723 -6.215 372 H LEU 47 H LEU 47 -10.023 8.326 -6.372 373 HA LEU 47 HA LEU 47 -8.147 6.286 -6.859 374 HB2 LEU 47 2HB LEU 47 -11.043 6.178 -6.083 375 HB3 LEU 47 1HB LEU 47 -10.157 4.711 -6.468 376 HG LEU 47 HG LEU 47 -9.827 6.551 -4.098 377 HD11 LEU 47 1HD1 LEU 47 -11.217 4.598 -3.893 378 HD12 LEU 47 2HD1 LEU 47 -9.774 4.450 -2.892 379 HD13 LEU 47 3HD1 LEU 47 -9.877 3.578 -4.431 380 HD21 LEU 47 3HD2 LEU 47 -7.686 5.498 -3.495 381 HD22 LEU 47 1HD2 LEU 47 -7.538 6.442 -4.975 382 HD23 LEU 47 2HD2 LEU 47 -7.631 4.681 -5.063 383 H THR 48 H THR 48 -7.735 5.087 -8.490 384 HA THR 48 HA THR 48 -9.391 5.131 -10.921 385 HB THR 48 HB THR 48 -7.289 3.786 -11.812 386 HG1 THR 48 1HG THR 48 -5.363 4.468 -10.647 387 HG21 THR 48 3HG2 THR 48 -7.030 6.754 -11.170 388 HG22 THR 48 1HG2 THR 48 -7.836 6.067 -12.584 389 HG23 THR 48 2HG2 THR 48 -6.098 5.871 -12.378 390 H GLU 49 H GLU 49 -10.783 3.555 -11.135 391 HA GLU 49 HA GLU 49 -11.256 1.550 -9.258 392 HB2 GLU 49 2HB GLU 49 -12.194 1.834 -12.125 393 HB3 GLU 49 1HB GLU 49 -12.881 0.694 -10.976 394 HG2 GLU 49 2HG GLU 49 -13.796 2.414 -9.628 395 HG3 GLU 49 1HG GLU 49 -12.806 3.652 -10.389 396 H GLU 50 H GLU 50 -9.454 1.469 -12.290 397 HA GLU 50 HA GLU 50 -9.170 -1.260 -12.700 398 HB2 GLU 50 2HB GLU 50 -8.607 0.504 -14.326 399 HB3 GLU 50 1HB GLU 50 -7.265 1.029 -13.322 400 HG2 GLU 50 2HG GLU 50 -6.145 -1.123 -13.685 401 HG3 GLU 50 1HG GLU 50 -7.503 -1.661 -14.674 402 H SER 51 H SER 51 -7.303 0.956 -10.642 403 HA SER 51 HA SER 51 -5.231 -0.838 -9.895 404 HB2 SER 51 2HB SER 51 -6.314 1.599 -8.432 405 HB3 SER 51 1HB SER 51 -4.766 0.808 -8.095 406 HG SER 51 HG SER 51 -5.090 2.718 -9.716 407 H TYR 52 H TYR 52 -8.545 -0.901 -8.989 408 HA TYR 52 HA TYR 52 -7.899 -3.011 -7.029 409 HB2 TYR 52 2HB TYR 52 -9.353 -2.292 -5.382 410 HB3 TYR 52 1HB TYR 52 -8.871 -0.738 -6.020 411 HD1 TYR 52 2HD TYR 52 -10.542 0.507 -7.613 412 HD2 TYR 52 1HD TYR 52 -11.631 -2.963 -5.331 413 HE1 TYR 52 2HE TYR 52 -12.919 1.064 -7.865 414 HE2 TYR 52 1HE TYR 52 -13.997 -2.396 -5.593 415 HH TYR 52 HH TYR 52 -15.141 -0.134 -7.814 416 H ASP 53 H ASP 53 -9.042 -2.536 -10.006 417 HA ASP 53 HA ASP 53 -11.241 -4.544 -9.858 418 HB2 ASP 53 2HB ASP 53 -11.836 -2.305 -10.869 419 HB3 ASP 53 1HB ASP 53 -10.619 -2.559 -12.100 420 H SER 54 H SER 54 -8.771 -3.462 -12.218 421 HA SER 54 HA SER 54 -8.395 -5.967 -13.459 422 HB2 SER 54 2HB SER 54 -7.635 -3.806 -14.454 423 HB3 SER 54 1HB SER 54 -6.418 -3.661 -13.191 424 HG SER 54 HG SER 54 -6.541 -5.458 -15.344 425 H TYR 55 H TYR 55 -6.834 -4.360 -10.715 426 HA TYR 55 HA TYR 55 -4.898 -5.999 -9.782 427 HB2 TYR 55 2HB TYR 55 -5.363 -4.099 -8.472 428 HB3 TYR 55 1HB TYR 55 -7.086 -4.421 -8.423 429 HD1 TYR 55 2HD TYR 55 -3.865 -5.884 -7.136 430 HD2 TYR 55 1HD TYR 55 -8.009 -5.192 -6.396 431 HE1 TYR 55 2HE TYR 55 -3.614 -6.800 -4.890 432 HE2 TYR 55 1HE TYR 55 -7.755 -6.120 -4.142 433 HH TYR 55 HH TYR 55 -4.660 -6.781 -2.767 434 H LEU 56 H LEU 56 -8.390 -6.642 -9.556 435 HA LEU 56 HA LEU 56 -8.195 -8.905 -7.870 436 HB2 LEU 56 2HB LEU 56 -10.450 -8.079 -9.721 437 HB3 LEU 56 1HB LEU 56 -10.577 -9.307 -8.465 438 HG LEU 56 HG LEU 56 -9.988 -6.368 -7.950 439 HD11 LEU 56 1HD1 LEU 56 -12.590 -7.875 -7.605 440 HD12 LEU 56 2HD1 LEU 56 -12.252 -6.604 -8.785 441 HD13 LEU 56 3HD1 LEU 56 -12.270 -6.222 -7.065 442 HD21 LEU 56 3HD2 LEU 56 -10.409 -6.913 -5.589 443 HD22 LEU 56 1HD2 LEU 56 -9.037 -7.815 -6.224 444 HD23 LEU 56 2HD2 LEU 56 -10.595 -8.619 -6.007 445 H LYS 57 H LYS 57 -8.020 -8.480 -11.326 446 HA LYS 57 HA LYS 57 -8.348 -11.195 -12.108 447 HB2 LYS 57 2HB LYS 57 -6.973 -8.915 -13.543 448 HB3 LYS 57 1HB LYS 57 -7.407 -10.455 -14.258 449 HG2 LYS 57 2HG LYS 57 -9.394 -8.436 -13.163 450 HG3 LYS 57 1HG LYS 57 -8.998 -8.670 -14.854 451 HD2 LYS 57 2HD LYS 57 -10.926 -9.944 -14.769 452 HD3 LYS 57 1HD LYS 57 -9.754 -11.189 -14.354 453 HE2 LYS 57 2HE LYS 57 -10.276 -10.617 -11.888 454 HE3 LYS 57 1HE LYS 57 -11.643 -9.697 -12.515 455 HZ1 LYS 57 3HZ LYS 57 -12.262 -11.932 -11.855 456 HZ2 LYS 57 1HZ LYS 57 -11.154 -12.588 -12.955 457 HZ3 LYS 57 2HZ LYS 57 -12.488 -11.709 -13.518 458 H ILE 58 H ILE 58 -5.609 -9.226 -11.112 459 HA ILE 58 HA ILE 58 -3.607 -11.229 -11.621 460 HB ILE 58 HB ILE 58 -3.560 -8.817 -9.738 461 HG12 ILE 58 2HG1 ILE 58 -1.783 -7.988 -11.398 462 HG13 ILE 58 1HG1 ILE 58 -2.279 -9.294 -12.466 463 HG21 ILE 58 1HG2 ILE 58 -1.116 -9.186 -9.443 464 HG22 ILE 58 2HG2 ILE 58 -1.249 -10.716 -10.317 465 HG23 ILE 58 3HG2 ILE 58 -2.079 -10.502 -8.775 466 HD11 ILE 58 3HD1 ILE 58 -3.276 -7.170 -13.070 467 HD12 ILE 58 1HD1 ILE 58 -4.031 -7.054 -11.478 468 HD13 ILE 58 2HD1 ILE 58 -4.509 -8.339 -12.589 469 H LEU 59 H LEU 59 -5.511 -10.166 -8.870 470 HA LEU 59 HA LEU 59 -4.278 -11.546 -6.782 471 HB2 LEU 59 2HB LEU 59 -6.011 -9.630 -6.768 472 HB3 LEU 59 1HB LEU 59 -7.212 -10.861 -6.860 473 HG LEU 59 HG LEU 59 -6.319 -11.835 -4.704 474 HD11 LEU 59 1HD1 LEU 59 -4.710 -9.268 -4.606 475 HD12 LEU 59 2HD1 LEU 59 -4.066 -10.903 -4.773 476 HD13 LEU 59 3HD1 LEU 59 -4.889 -10.435 -3.289 477 HD21 LEU 59 3HD2 LEU 59 -7.330 -8.980 -4.567 478 HD22 LEU 59 1HD2 LEU 59 -7.378 -10.167 -3.257 479 HD23 LEU 59 2HD2 LEU 59 -8.321 -10.433 -4.720 480 H GLU 60 H GLU 60 -6.980 -12.424 -8.843 481 HA GLU 60 HA GLU 60 -7.984 -14.577 -7.392 482 HB2 GLU 60 2HB GLU 60 -9.253 -15.173 -9.376 483 HB3 GLU 60 1HB GLU 60 -9.222 -13.432 -9.204 484 HG2 GLU 60 2HG GLU 60 -7.570 -13.204 -10.916 485 HG3 GLU 60 1HG GLU 60 -7.374 -14.942 -10.997 486 H LYS 61 H LYS 61 -5.336 -14.363 -9.567 487 HA LYS 61 HA LYS 61 -5.016 -17.291 -9.780 488 HB2 LYS 61 2HB LYS 61 -3.608 -16.833 -11.767 489 HB3 LYS 61 1HB LYS 61 -5.277 -16.294 -11.968 490 HG2 LYS 61 2HG LYS 61 -4.525 -13.984 -11.413 491 HG3 LYS 61 1HG LYS 61 -2.865 -14.578 -11.355 492 HD2 LYS 61 2HD LYS 61 -4.710 -14.554 -13.773 493 HD3 LYS 61 1HD LYS 61 -3.302 -13.519 -13.515 494 HE2 LYS 61 2HE LYS 61 -1.833 -15.516 -13.607 495 HE3 LYS 61 1HE LYS 61 -3.243 -16.543 -13.869 496 HZ1 LYS 61 3HZ LYS 61 -2.136 -16.063 -15.930 497 HZ2 LYS 61 1HZ LYS 61 -2.294 -14.395 -15.681 498 HZ3 LYS 61 2HZ LYS 61 -3.671 -15.347 -15.923 499 H GLN 62 H GLN 62 -4.012 -14.846 -7.923 500 HA GLN 62 HA GLN 62 -1.244 -15.593 -7.611 501 HB2 GLN 62 2HB GLN 62 -3.089 -13.938 -5.853 502 HB3 GLN 62 1HB GLN 62 -1.394 -14.150 -5.569 503 HG2 GLN 62 2HG GLN 62 -2.668 -12.741 -7.863 504 HG3 GLN 62 1HG GLN 62 -1.784 -11.997 -6.554 505 HE21 GLN 62 1HE2 GLN 62 -1.585 -13.882 -9.447 506 HE22 GLN 62 2HE2 GLN 62 0.082 -13.697 -9.715 507 H GLY 63 H GLY 63 -4.336 -16.723 -6.485 508 HA2 GLY 63 2HA GLY 63 -4.655 -18.706 -5.153 509 HA3 GLY 63 1HA GLY 63 -3.036 -18.495 -4.520 510 H GLU 64 H GLU 64 -4.400 -18.899 -2.517 511 HA GLU 64 HA GLU 64 -5.643 -16.509 -1.373 512 HB2 GLU 64 2HB GLU 64 -5.065 -19.288 -0.349 513 HB3 GLU 64 1HB GLU 64 -5.675 -18.041 0.725 514 HG2 GLU 64 2HG GLU 64 -7.767 -17.990 -0.294 515 HG3 GLU 64 1HG GLU 64 -7.156 -18.682 -1.794 516 H PHE 65 H PHE 65 -4.832 -15.392 0.296 517 HA PHE 65 HA PHE 65 -1.987 -15.038 0.451 518 HB2 PHE 65 2HB PHE 65 -3.012 -12.973 0.783 519 HB3 PHE 65 1HB PHE 65 -4.373 -13.668 1.660 520 HD1 PHE 65 2HD PHE 65 -0.683 -13.125 2.080 521 HD2 PHE 65 1HD PHE 65 -4.510 -13.252 3.988 522 HE1 PHE 65 2HE PHE 65 0.341 -12.460 4.192 523 HE2 PHE 65 1HE PHE 65 -3.458 -12.598 6.112 524 HZ PHE 65 HZ PHE 65 -1.033 -12.206 6.217 525 H LYS 66 H LYS 66 -0.645 -16.129 1.697 526 HA LYS 66 HA LYS 66 -1.648 -17.560 4.101 527 HB2 LYS 66 2HB LYS 66 0.719 -18.374 2.345 528 HB3 LYS 66 1HB LYS 66 0.074 -19.258 3.730 529 HG2 LYS 66 2HG LYS 66 -1.296 -18.815 1.055 530 HG3 LYS 66 1HG LYS 66 -0.640 -20.334 1.678 531 HD2 LYS 66 2HD LYS 66 -2.347 -20.262 3.527 532 HD3 LYS 66 1HD LYS 66 -3.010 -18.788 2.816 533 HE2 LYS 66 2HE LYS 66 -3.519 -20.047 0.744 534 HE3 LYS 66 1HE LYS 66 -2.934 -21.522 1.513 535 HZ1 LYS 66 3HZ LYS 66 -5.328 -21.352 1.597 536 HZ2 LYS 66 1HZ LYS 66 -5.231 -19.880 2.425 537 HZ3 LYS 66 2HZ LYS 66 -4.683 -21.300 3.159 538 H GLU 67 H GLU 67 0.883 -15.550 2.692 539 HA GLU 67 HA GLU 67 1.999 -14.894 5.302 540 HB2 GLU 67 2HB GLU 67 3.111 -17.010 4.684 541 HB3 GLU 67 1HB GLU 67 3.509 -16.373 3.096 542 HG2 GLU 67 2HG GLU 67 5.490 -16.322 4.339 543 HG3 GLU 67 1HG GLU 67 4.961 -14.656 4.239 544 H PHE 68 H PHE 68 3.163 -12.918 5.227 545 HA PHE 68 HA PHE 68 3.550 -11.588 2.609 546 HB2 PHE 68 2HB PHE 68 3.822 -10.540 5.467 547 HB3 PHE 68 1HB PHE 68 4.292 -9.611 4.050 548 HD1 PHE 68 2HD PHE 68 2.444 -9.252 2.233 549 HD2 PHE 68 1HD PHE 68 1.587 -10.313 6.285 550 HE1 PHE 68 2HE PHE 68 0.150 -8.448 1.958 551 HE2 PHE 68 1HE PHE 68 -0.711 -9.492 6.001 552 HZ PHE 68 HZ PHE 68 -1.436 -8.558 3.839 553 H GLY 69 H GLY 69 5.590 -11.521 1.699 554 HA2 GLY 69 2HA GLY 69 7.640 -13.221 2.782 555 HA3 GLY 69 1HA GLY 69 7.729 -12.252 1.325 556 H LYS 70 H LYS 70 8.741 -10.307 1.387 557 HA LYS 70 HA LYS 70 9.881 -9.335 3.925 558 HB2 LYS 70 2HB LYS 70 11.478 -10.756 2.502 559 HB3 LYS 70 1HB LYS 70 11.386 -9.496 1.280 560 HG2 LYS 70 2HG LYS 70 13.275 -8.776 2.333 561 HG3 LYS 70 1HG LYS 70 12.112 -7.964 3.371 562 HD2 LYS 70 2HD LYS 70 13.373 -10.665 3.998 563 HD3 LYS 70 1HD LYS 70 14.001 -9.126 4.575 564 HE2 LYS 70 2HE LYS 70 12.785 -9.904 6.411 565 HE3 LYS 70 1HE LYS 70 11.626 -8.827 5.641 566 HZ1 LYS 70 3HZ LYS 70 11.695 -11.786 5.359 567 HZ2 LYS 70 1HZ LYS 70 10.557 -10.765 4.649 568 HZ3 LYS 70 2HZ LYS 70 10.615 -10.917 6.326 569 H CYS 71 H CYS 71 10.334 -7.107 3.976 570 HA CYS 71 HA CYS 71 8.739 -5.532 2.036 571 HB2 CYS 71 2HB CYS 71 9.151 -4.668 4.890 572 HB3 CYS 71 1HB CYS 71 7.829 -4.293 3.799 573 HG CYS 71 HG CYS 71 8.021 -6.602 6.101 574 H THR 72 H THR 72 10.198 -4.452 0.800 575 HA THR 72 HA THR 72 12.528 -3.086 1.793 576 HB THR 72 HB THR 72 10.849 -2.563 -0.709 577 HG1 THR 72 1HG THR 72 12.611 -4.543 -0.070 578 HG21 THR 72 3HG2 THR 72 13.685 -1.656 -0.088 579 HG22 THR 72 1HG2 THR 72 12.265 -0.615 -0.229 580 HG23 THR 72 2HG2 THR 72 12.870 -1.475 -1.644 581 H TYR 73 H TYR 73 12.619 -0.831 2.413 582 HA TYR 73 HA TYR 73 10.048 0.565 2.653 583 HB2 TYR 73 2HB TYR 73 12.389 0.936 4.574 584 HB3 TYR 73 1HB TYR 73 10.826 1.683 4.617 585 HD1 TYR 73 2HD TYR 73 8.790 0.435 5.220 586 HD2 TYR 73 1HD TYR 73 12.654 -1.386 5.362 587 HE1 TYR 73 2HE TYR 73 7.881 -1.420 6.582 588 HE2 TYR 73 1HE TYR 73 11.748 -3.221 6.698 589 HH TYR 73 HH TYR 73 9.815 -3.618 8.211 590 H LEU 74 H LEU 74 10.075 2.697 2.270 591 HA LEU 74 HA LEU 74 12.369 3.971 1.057 592 HB2 LEU 74 2HB LEU 74 11.077 4.437 -1.087 593 HB3 LEU 74 1HB LEU 74 11.786 2.880 -0.875 594 HG LEU 74 HG LEU 74 8.810 3.451 -0.684 595 HD11 LEU 74 1HD1 LEU 74 10.429 2.032 -2.805 596 HD12 LEU 74 2HD1 LEU 74 9.771 3.675 -2.951 597 HD13 LEU 74 3HD1 LEU 74 8.678 2.297 -2.817 598 HD21 LEU 74 3HD2 LEU 74 8.505 0.997 -0.754 599 HD22 LEU 74 1HD2 LEU 74 9.393 1.482 0.685 600 HD23 LEU 74 2HD2 LEU 74 10.257 0.764 -0.674 601 H GLY 75 H GLY 75 11.242 6.088 -0.133 602 HA2 GLY 75 2HA GLY 75 9.496 7.379 1.779 603 HA3 GLY 75 1HA GLY 75 11.197 7.738 2.023 604 H GLN 76 H GLN 76 9.519 9.777 1.500 605 HA GLN 76 HA GLN 76 10.497 10.801 -1.040 606 HB2 GLN 76 2HB GLN 76 7.623 11.487 -0.895 607 HB3 GLN 76 1HB GLN 76 8.527 10.804 -2.237 608 HG2 GLN 76 2HG GLN 76 8.063 8.571 -1.527 609 HG3 GLN 76 1HG GLN 76 7.475 9.114 0.040 610 HE21 GLN 76 1HE2 GLN 76 5.484 8.186 -0.091 611 HE22 GLN 76 2HE2 GLN 76 4.271 8.656 -1.235 612 H ILE 77 H ILE 77 10.600 13.107 -1.028 613 HA ILE 77 HA ILE 77 8.941 14.487 1.013 614 HB ILE 77 HB ILE 77 11.647 15.515 0.014 615 HG12 ILE 77 2HG1 ILE 77 12.048 15.541 2.651 616 HG13 ILE 77 1HG1 ILE 77 10.775 14.330 2.671 617 HG21 ILE 77 1HG2 ILE 77 11.280 17.470 1.488 618 HG22 ILE 77 2HG2 ILE 77 9.663 16.875 1.876 619 HG23 ILE 77 3HG2 ILE 77 10.054 17.361 0.225 620 HD11 ILE 77 3HD1 ILE 77 13.435 14.182 1.298 621 HD12 ILE 77 1HD1 ILE 77 12.141 12.998 1.059 622 HD13 ILE 77 2HD1 ILE 77 12.850 13.230 2.662 623 H LYS 78 H LYS 78 7.396 15.623 0.058 624 HA LYS 78 HA LYS 78 7.786 16.561 -2.719 625 HB2 LYS 78 2HB LYS 78 5.644 15.931 -3.257 626 HB3 LYS 78 1HB LYS 78 5.902 14.747 -2.027 627 HG2 LYS 78 2HG LYS 78 3.778 15.454 -1.476 628 HG3 LYS 78 1HG LYS 78 4.743 16.525 -0.469 629 HD2 LYS 78 2HD LYS 78 4.544 18.194 -2.495 630 HD3 LYS 78 1HD LYS 78 3.192 17.167 -2.980 631 HE2 LYS 78 2HE LYS 78 3.484 18.697 -0.364 632 HE3 LYS 78 1HE LYS 78 2.365 19.059 -1.682 633 HZ1 LYS 78 3HZ LYS 78 2.313 16.584 -0.039 634 HZ2 LYS 78 1HZ LYS 78 1.209 16.997 -1.247 635 HZ3 LYS 78 2HZ LYS 78 1.289 17.910 0.173 636 H ASP 79 H ASP 79 8.056 18.672 -2.794 637 HA ASP 79 HA ASP 79 8.338 20.824 -2.236 638 HB2 ASP 79 2HB ASP 79 5.572 20.431 -1.026 639 HB3 ASP 79 1HB ASP 79 6.344 22.005 -1.170 640 H ASN 80 H ASN 80 6.587 19.949 0.726 641 HA ASN 80 HA ASN 80 8.911 20.416 2.402 642 HB2 ASN 80 2HB ASN 80 6.448 22.165 2.392 643 HB3 ASN 80 1HB ASN 80 7.436 22.035 3.818 644 HD21 ASN 80 1HD2 ASN 80 7.351 23.172 0.532 645 HD22 ASN 80 2HD2 ASN 80 8.679 24.248 0.698 646 H LYS 81 H LYS 81 6.656 18.381 1.701 647 HA LYS 81 HA LYS 81 6.043 17.529 4.466 648 HB2 LYS 81 2HB LYS 81 4.486 17.414 1.895 649 HB3 LYS 81 1HB LYS 81 4.302 16.059 2.974 650 HG2 LYS 81 2HG LYS 81 3.900 18.823 4.082 651 HG3 LYS 81 1HG LYS 81 2.654 18.105 3.066 652 HD2 LYS 81 2HD LYS 81 2.100 17.662 5.381 653 HD3 LYS 81 1HD LYS 81 2.534 16.146 4.607 654 HE2 LYS 81 2HE LYS 81 4.862 16.464 5.648 655 HE3 LYS 81 1HE LYS 81 4.144 17.764 6.600 656 HZ1 LYS 81 3HZ LYS 81 3.185 14.960 6.567 657 HZ2 LYS 81 1HZ LYS 81 2.628 16.203 7.572 658 HZ3 LYS 81 2HZ LYS 81 4.208 15.615 7.743 659 H LYS 82 H LYS 82 6.395 15.328 4.998 660 HA LYS 82 HA LYS 82 8.274 13.892 3.190 661 HB2 LYS 82 2HB LYS 82 8.201 13.789 6.236 662 HB3 LYS 82 1HB LYS 82 9.325 12.908 5.195 663 HG2 LYS 82 2HG LYS 82 10.199 15.105 4.378 664 HG3 LYS 82 1HG LYS 82 9.149 15.917 5.545 665 HD2 LYS 82 2HD LYS 82 10.332 14.675 7.388 666 HD3 LYS 82 1HD LYS 82 11.426 13.994 6.178 667 HE2 LYS 82 2HE LYS 82 12.186 16.282 5.602 668 HE3 LYS 82 1HE LYS 82 11.098 16.943 6.825 669 HZ1 LYS 82 3HZ LYS 82 12.330 15.824 8.518 670 HZ2 LYS 82 1HZ LYS 82 13.396 16.739 7.587 671 HZ3 LYS 82 2HZ LYS 82 13.320 15.065 7.385 672 H TYR 83 H TYR 83 8.087 11.665 3.079 673 HA TYR 83 HA TYR 83 5.584 10.426 4.026 674 HB2 TYR 83 2HB TYR 83 6.493 10.449 1.103 675 HB3 TYR 83 1HB TYR 83 5.076 9.612 1.733 676 HD1 TYR 83 1HD TYR 83 3.066 10.883 2.355 677 HD2 TYR 83 2HD TYR 83 6.487 12.897 0.773 678 HE1 TYR 83 1HE TYR 83 1.742 12.889 2.052 679 HE2 TYR 83 2HE TYR 83 5.164 14.906 0.494 680 HH TYR 83 HH TYR 83 2.123 15.346 1.865 681 H GLY 84 H GLY 84 5.592 8.191 3.934 682 HA2 GLY 84 2HA GLY 84 8.237 6.853 3.793 683 HA3 GLY 84 1HA GLY 84 6.972 6.444 4.953 684 H GLY 85 H GLY 85 8.194 4.689 2.996 685 HA2 GLY 85 2HA GLY 85 5.777 3.781 1.581 686 HA3 GLY 85 1HA GLY 85 7.307 3.942 0.718 687 H VAL 86 H VAL 86 5.936 1.539 0.932 688 HA VAL 86 HA VAL 86 8.055 -0.121 1.960 689 HB VAL 86 HB VAL 86 6.701 -0.034 3.939 690 HG11 VAL 86 1HG1 VAL 86 4.316 -0.654 4.038 691 HG12 VAL 86 2HG1 VAL 86 4.281 -0.823 2.280 692 HG13 VAL 86 3HG1 VAL 86 4.570 0.759 3.011 693 HG21 VAL 86 3HG2 VAL 86 6.168 -2.663 2.528 694 HG22 VAL 86 1HG2 VAL 86 6.095 -2.397 4.271 695 HG23 VAL 86 2HG2 VAL 86 7.632 -2.236 3.418 696 H ILE 87 H ILE 87 8.509 -1.408 0.316 697 HA ILE 87 HA ILE 87 6.433 -2.363 -1.543 698 HB ILE 87 HB ILE 87 9.485 -2.512 -1.719 699 HG12 ILE 87 2HG1 ILE 87 7.534 -1.082 -3.576 700 HG13 ILE 87 1HG1 ILE 87 8.319 -0.271 -2.238 701 HG21 ILE 87 1HG2 ILE 87 8.500 -4.546 -2.709 702 HG22 ILE 87 2HG2 ILE 87 9.160 -3.511 -3.974 703 HG23 ILE 87 3HG2 ILE 87 7.416 -3.562 -3.693 704 HD11 ILE 87 3HD1 ILE 87 10.516 -0.761 -3.277 705 HD12 ILE 87 1HD1 ILE 87 9.461 0.205 -4.308 706 HD13 ILE 87 2HD1 ILE 87 9.673 -1.514 -4.634 707 H ILE 88 H ILE 88 5.444 -3.753 -0.135 708 HA ILE 88 HA ILE 88 7.033 -5.861 1.180 709 HB ILE 88 HB ILE 88 5.676 -4.667 2.757 710 HG12 ILE 88 2HG1 ILE 88 4.249 -7.315 2.196 711 HG13 ILE 88 1HG1 ILE 88 5.801 -7.165 3.016 712 HG21 ILE 88 1HG2 ILE 88 3.242 -5.189 1.012 713 HG22 ILE 88 2HG2 ILE 88 4.055 -3.639 1.237 714 HG23 ILE 88 3HG2 ILE 88 3.229 -4.401 2.595 715 HD11 ILE 88 3HD1 ILE 88 4.019 -7.493 4.604 716 HD12 ILE 88 1HD1 ILE 88 3.166 -6.076 3.995 717 HD13 ILE 88 2HD1 ILE 88 4.721 -5.889 4.811 718 H VAL 89 H VAL 89 7.229 -7.662 0.003 719 HA VAL 89 HA VAL 89 5.321 -8.501 -1.938 720 HB VAL 89 HB VAL 89 6.750 -10.192 -2.498 721 HG11 VAL 89 1HG1 VAL 89 8.697 -8.296 -1.232 722 HG12 VAL 89 2HG1 VAL 89 7.911 -8.073 -2.797 723 HG13 VAL 89 3HG1 VAL 89 9.044 -9.407 -2.563 724 HG21 VAL 89 3HG2 VAL 89 6.780 -11.524 -0.531 725 HG22 VAL 89 1HG2 VAL 89 7.912 -10.403 0.233 726 HG23 VAL 89 2HG2 VAL 89 8.419 -11.361 -1.166 727 H VAL 90 H VAL 90 4.057 -10.382 -1.815 728 HA VAL 90 HA VAL 90 3.406 -11.394 0.889 729 HB VAL 90 HB VAL 90 1.705 -9.740 0.499 730 HG11 VAL 90 1HG1 VAL 90 0.281 -9.655 -1.442 731 HG12 VAL 90 2HG1 VAL 90 1.294 -10.878 -2.211 732 HG13 VAL 90 3HG1 VAL 90 1.975 -9.301 -1.798 733 HG21 VAL 90 3HG2 VAL 90 -0.388 -11.014 0.473 734 HG22 VAL 90 1HG2 VAL 90 0.831 -11.862 1.430 735 HG23 VAL 90 2HG2 VAL 90 0.451 -12.410 -0.205 736 H LYS 91 H LYS 91 3.767 -13.465 0.856 737 HA LYS 91 HA LYS 91 3.861 -15.042 -1.554 738 HB2 LYS 91 2HB LYS 91 4.096 -15.986 1.339 739 HB3 LYS 91 1HB LYS 91 4.669 -16.806 -0.113 740 HG2 LYS 91 2HG LYS 91 6.374 -15.090 -0.462 741 HG3 LYS 91 1HG LYS 91 5.759 -14.163 0.906 742 HD2 LYS 91 2HD LYS 91 7.659 -15.260 1.772 743 HD3 LYS 91 1HD LYS 91 6.313 -16.232 2.356 744 HE2 LYS 91 2HE LYS 91 8.025 -16.904 -0.066 745 HE3 LYS 91 1HE LYS 91 8.246 -17.587 1.541 746 HZ1 LYS 91 3HZ LYS 91 5.873 -17.949 -0.216 747 HZ2 LYS 91 1HZ LYS 91 6.018 -18.556 1.359 748 HZ3 LYS 91 2HZ LYS 91 7.054 -19.101 0.143 749 H TYR 92 H TYR 92 1.740 -14.970 -2.317 750 HA TYR 92 HA TYR 92 -0.453 -16.241 -0.925 751 HB2 TYR 92 2HB TYR 92 -0.014 -15.594 -3.877 752 HB3 TYR 92 1HB TYR 92 -1.488 -16.328 -3.258 753 HD1 TYR 92 1HD TYR 92 0.506 -13.203 -3.369 754 HD2 TYR 92 2HD TYR 92 -3.134 -15.000 -2.084 755 HE1 TYR 92 1HE TYR 92 -0.455 -10.980 -2.936 756 HE2 TYR 92 2HE TYR 92 -4.065 -12.796 -1.622 757 HH TYR 92 HH TYR 92 -3.371 -10.539 -1.186 758 H GLU 93 H GLU 93 -1.470 -18.169 -2.389 759 HA GLU 93 HA GLU 93 0.017 -20.488 -2.079 760 HB2 GLU 93 2HB GLU 93 -2.469 -19.712 -3.592 761 HB3 GLU 93 1HB GLU 93 -1.848 -21.320 -3.822 762 HG2 GLU 93 2HG GLU 93 -2.645 -20.100 -1.170 763 HG3 GLU 93 1HG GLU 93 -3.613 -21.231 -2.118 764 H GLU 94 H GLU 94 -0.085 -18.335 -4.844 765 HA GLU 94 HA GLU 94 1.555 -20.178 -6.489 766 HB2 GLU 94 2HB GLU 94 -0.540 -18.209 -7.508 767 HB3 GLU 94 1HB GLU 94 0.397 -19.339 -8.489 768 HG2 GLU 94 2HG GLU 94 -0.744 -21.231 -7.459 769 HG3 GLU 94 1HG GLU 94 -1.615 -20.152 -6.364 770 H GLY 95 H GLY 95 0.735 -16.752 -5.863 771 HA2 GLY 95 2HA GLY 95 3.230 -15.878 -7.220 772 HA3 GLY 95 1HA GLY 95 1.691 -15.070 -7.423 773 H ASN 96 H ASN 96 4.212 -13.953 -6.412 774 HA ASN 96 HA ASN 96 3.174 -12.916 -3.845 775 HB2 ASN 96 2HB ASN 96 5.941 -12.532 -5.043 776 HB3 ASN 96 1HB ASN 96 5.363 -11.720 -3.611 777 HD21 ASN 96 1HD2 ASN 96 4.818 -15.149 -4.370 778 HD22 ASN 96 2HD2 ASN 96 5.724 -15.720 -3.031 779 H VAL 97 H VAL 97 2.817 -10.733 -3.630 780 HA VAL 97 HA VAL 97 3.076 -9.056 -6.059 781 HB VAL 97 HB VAL 97 1.000 -8.627 -3.853 782 HG11 VAL 97 1HG1 VAL 97 1.569 -6.619 -5.136 783 HG12 VAL 97 2HG1 VAL 97 -0.078 -7.132 -5.496 784 HG13 VAL 97 3HG1 VAL 97 1.217 -7.457 -6.651 785 HG21 VAL 97 3HG2 VAL 97 0.538 -10.043 -6.489 786 HG22 VAL 97 1HG2 VAL 97 -0.730 -9.482 -5.389 787 HG23 VAL 97 2HG2 VAL 97 0.404 -10.727 -4.858 788 H ASN 98 H ASN 98 4.379 -7.369 -5.787 789 HA ASN 98 HA ASN 98 5.611 -6.942 -3.153 790 HB2 ASN 98 2HB ASN 98 6.505 -5.789 -5.827 791 HB3 ASN 98 1HB ASN 98 7.476 -6.009 -4.376 792 HD21 ASN 98 1HD2 ASN 98 8.103 -6.888 -7.016 793 HD22 ASN 98 2HD2 ASN 98 8.224 -8.603 -6.992 794 H TYR 99 H TYR 99 3.451 -5.926 -2.615 795 HA TYR 99 HA TYR 99 2.293 -3.696 -3.811 796 HB2 TYR 99 2HB TYR 99 2.274 -4.694 -0.944 797 HB3 TYR 99 1HB TYR 99 1.340 -3.283 -1.421 798 HD1 TYR 99 2HD TYR 99 -0.557 -3.544 -3.099 799 HD2 TYR 99 1HD TYR 99 1.450 -6.912 -1.391 800 HE1 TYR 99 2HE TYR 99 -2.471 -4.987 -3.679 801 HE2 TYR 99 1HE TYR 99 -0.463 -8.321 -1.955 802 HH TYR 99 HH TYR 99 -2.709 -8.264 -2.481 803 H SER 100 H SER 100 3.344 -1.829 -4.226 804 HA SER 100 HA SER 100 5.252 -0.635 -2.357 805 HB2 SER 100 2HB SER 100 5.688 -0.622 -4.824 806 HB3 SER 100 1HB SER 100 4.277 0.395 -5.054 807 HG SER 100 HG SER 100 5.294 2.017 -3.878 808 H LEU 101 H LEU 101 3.724 -0.297 -0.678 809 HA LEU 101 HA LEU 101 1.577 1.636 -0.950 810 HB2 LEU 101 2HB LEU 101 2.603 -0.127 1.248 811 HB3 LEU 101 1HB LEU 101 1.767 1.325 1.749 812 HG LEU 101 HG LEU 101 0.271 -0.675 1.574 813 HD11 LEU 101 1HD1 LEU 101 -0.430 1.595 -0.201 814 HD12 LEU 101 2HD1 LEU 101 -0.673 1.471 1.547 815 HD13 LEU 101 3HD1 LEU 101 -1.558 0.405 0.464 816 HD21 LEU 101 3HD2 LEU 101 -0.427 -1.562 -0.550 817 HD22 LEU 101 1HD2 LEU 101 1.312 -1.769 -0.365 818 HD23 LEU 101 2HD2 LEU 101 0.682 -0.477 -1.393 819 H ALA 102 H ALA 102 1.531 3.717 -0.024 820 HA ALA 102 HA ALA 102 3.887 4.895 1.174 821 HB1 ALA 102 1HB ALA 102 4.496 5.022 -1.212 822 HB2 ALA 102 2HB ALA 102 4.195 6.635 -0.561 823 HB3 ALA 102 3HB ALA 102 2.977 5.846 -1.565 824 H TYR 103 H TYR 103 3.395 6.726 2.262 825 HA TYR 103 HA TYR 103 0.860 8.057 2.287 826 HB2 TYR 103 2HB TYR 103 0.388 7.247 4.737 827 HB3 TYR 103 1HB TYR 103 -0.110 6.271 3.375 828 HD1 TYR 103 2HD TYR 103 3.382 5.664 3.720 829 HD2 TYR 103 1HD TYR 103 -0.385 4.776 5.550 830 HE1 TYR 103 2HE TYR 103 4.302 3.601 4.634 831 HE2 TYR 103 1HE TYR 103 0.563 2.734 6.442 832 HH TYR 103 HH TYR 103 2.385 1.163 5.884 833 H ASP 104 H ASP 104 0.705 9.558 4.099 834 HA ASP 104 HA ASP 104 3.247 10.953 4.342 835 HB2 ASP 104 2HB ASP 104 1.184 12.120 3.723 836 HB3 ASP 104 1HB ASP 104 0.416 11.687 5.155 837 H GLU 105 H GLU 105 3.782 12.043 6.385 838 HA GLU 105 HA GLU 105 4.046 10.575 8.752 839 HB2 GLU 105 2HB GLU 105 3.762 13.578 8.302 840 HB3 GLU 105 1HB GLU 105 4.205 12.878 9.860 841 HG2 GLU 105 2HG GLU 105 6.267 12.082 9.048 842 HG3 GLU 105 1HG GLU 105 5.808 12.316 7.366 843 H ASP 106 H ASP 106 1.174 12.059 7.361 844 HA ASP 106 HA ASP 106 -0.463 12.161 9.700 845 HB2 ASP 106 2HB ASP 106 -1.098 13.317 7.613 846 HB3 ASP 106 1HB ASP 106 -1.194 11.782 6.758 847 H MET 107 H MET 107 -0.820 9.862 6.986 848 HA MET 107 HA MET 107 -0.357 7.411 7.918 849 HB2 MET 107 2HB MET 107 -1.871 8.001 9.913 850 HB3 MET 107 1HB MET 107 -3.227 7.994 8.795 851 HG2 MET 107 2HG MET 107 -3.345 5.867 9.714 852 HG3 MET 107 1HG MET 107 -2.387 5.560 8.267 853 HE1 MET 107 3HE MET 107 1.171 4.762 9.662 854 HE2 MET 107 1HE MET 107 0.643 6.240 8.851 855 HE3 MET 107 2HE MET 107 0.080 4.671 8.279 856 H ASN 108 H ASN 108 -2.129 9.578 6.040 857 HA ASN 108 HA ASN 108 -4.014 7.766 4.870 858 HB2 ASN 108 2HB ASN 108 -4.367 9.842 3.309 859 HB3 ASN 108 1HB ASN 108 -4.894 9.905 4.953 860 HD21 ASN 108 1HD2 ASN 108 -4.935 12.149 4.723 861 HD22 ASN 108 2HD2 ASN 108 -3.493 13.080 4.799 862 H LEU 109 H LEU 109 -3.774 6.593 3.059 863 HA LEU 109 HA LEU 109 -1.279 6.291 1.808 864 HB2 LEU 109 2HB LEU 109 -4.048 5.394 0.919 865 HB3 LEU 109 1HB LEU 109 -2.609 5.060 -0.028 866 HG LEU 109 HG LEU 109 -2.937 3.081 1.175 867 HD11 LEU 109 1HD1 LEU 109 -0.971 4.651 2.855 868 HD12 LEU 109 2HD1 LEU 109 -0.624 3.826 1.330 869 HD13 LEU 109 3HD1 LEU 109 -1.087 2.891 2.748 870 HD21 LEU 109 3HD2 LEU 109 -3.413 2.934 3.578 871 HD22 LEU 109 1HD2 LEU 109 -4.665 3.794 2.683 872 HD23 LEU 109 2HD2 LEU 109 -3.499 4.698 3.658 873 H VAL 110 H VAL 110 -0.327 7.649 0.731 874 HA VAL 110 HA VAL 110 -1.643 9.763 -0.790 875 HB VAL 110 HB VAL 110 0.463 9.726 1.052 876 HG11 VAL 110 1HG1 VAL 110 1.828 9.959 -1.632 877 HG12 VAL 110 2HG1 VAL 110 2.041 8.672 -0.442 878 HG13 VAL 110 3HG1 VAL 110 2.554 10.322 -0.061 879 HG21 VAL 110 3HG2 VAL 110 0.824 12.083 0.540 880 HG22 VAL 110 1HG2 VAL 110 -0.888 11.678 0.515 881 HG23 VAL 110 2HG2 VAL 110 -0.014 11.902 -1.004 882 H SER 111 H SER 111 0.102 6.791 -1.124 883 HA SER 111 HA SER 111 -0.615 6.538 -3.895 884 HB2 SER 111 2HB SER 111 2.348 6.446 -3.136 885 HB3 SER 111 1HB SER 111 1.691 5.966 -4.697 886 HG SER 111 HG SER 111 0.803 8.319 -4.523 887 H PHE 112 H PHE 112 -1.802 4.645 -3.321 888 HA PHE 112 HA PHE 112 -0.353 2.332 -2.154 889 HB2 PHE 112 2HB PHE 112 -2.606 2.327 -1.379 890 HB3 PHE 112 1HB PHE 112 -3.266 2.812 -2.921 891 HD1 PHE 112 2HD PHE 112 -3.590 1.096 -4.761 892 HD2 PHE 112 1HD PHE 112 -2.215 -0.070 -0.865 893 HE1 PHE 112 2HE PHE 112 -4.142 -1.244 -5.246 894 HE2 PHE 112 1HE PHE 112 -2.784 -2.396 -1.378 895 HZ PHE 112 HZ PHE 112 -3.743 -2.997 -3.563 896 H THR 113 H THR 113 0.552 0.842 -3.473 897 HA THR 113 HA THR 113 -0.393 0.462 -6.199 898 HB THR 113 HB THR 113 2.552 0.486 -6.322 899 HG1 THR 113 1HG THR 113 1.928 2.269 -4.675 900 HG21 THR 113 3HG2 THR 113 2.219 2.001 -8.221 901 HG22 THR 113 1HG2 THR 113 0.528 2.247 -7.752 902 HG23 THR 113 2HG2 THR 113 1.075 0.661 -8.311 903 H MET 114 H MET 114 0.590 -1.547 -7.133 904 HA MET 114 HA MET 114 1.187 -3.551 -5.044 905 HB2 MET 114 2HB MET 114 0.528 -4.024 -7.954 906 HB3 MET 114 1HB MET 114 0.577 -5.199 -6.689 907 HG2 MET 114 2HG MET 114 -1.471 -4.500 -5.780 908 HG3 MET 114 1HG MET 114 -1.416 -2.961 -6.632 909 HE1 MET 114 3HE MET 114 -1.611 -6.867 -7.204 910 HE2 MET 114 1HE MET 114 -0.447 -6.324 -8.414 911 HE3 MET 114 2HE MET 114 -2.026 -6.925 -8.917 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 14.287 18.299 -0.179 2 H2 GLY 1 2HT GLY 1 13.387 17.118 0.634 3 H3 GLY 1 3HT GLY 1 12.710 18.632 0.326 4 HA2 GLY 1 1HA GLY 1 11.817 17.023 -1.208 5 HA3 GLY 1 2HA GLY 1 12.783 18.228 -2.047 6 H GLU 2 H GLU 2 12.484 14.908 -1.158 7 HA GLU 2 HA GLU 2 14.450 14.045 -3.105 8 HB2 GLU 2 2HB GLU 2 15.888 14.452 -1.106 9 HB3 GLU 2 1HB GLU 2 14.836 13.446 -0.123 10 HG2 GLU 2 2HG GLU 2 16.852 12.216 -0.647 11 HG3 GLU 2 1HG GLU 2 15.489 11.458 -1.460 12 H ILE 3 H ILE 3 14.159 11.746 -3.568 13 HA ILE 3 HA ILE 3 11.835 10.456 -2.242 14 HB ILE 3 HB ILE 3 12.813 9.865 -5.099 15 HG12 ILE 3 2HG1 ILE 3 11.981 12.229 -4.968 16 HG13 ILE 3 1HG1 ILE 3 11.002 11.223 -6.009 17 HG21 ILE 3 1HG2 ILE 3 10.625 8.725 -5.372 18 HG22 ILE 3 2HG2 ILE 3 10.223 9.096 -3.693 19 HG23 ILE 3 3HG2 ILE 3 11.572 8.018 -4.061 20 HD11 ILE 3 3HD1 ILE 3 10.312 12.113 -3.214 21 HD12 ILE 3 1HD1 ILE 3 9.313 11.060 -4.223 22 HD13 ILE 3 2HD1 ILE 3 9.631 12.720 -4.722 23 H LEU 4 H LEU 4 12.631 9.077 -0.922 24 HA LEU 4 HA LEU 4 15.421 8.539 -0.765 25 HB2 LEU 4 2HB LEU 4 13.040 7.798 0.947 26 HB3 LEU 4 1HB LEU 4 14.694 7.517 1.422 27 HG LEU 4 HG LEU 4 13.385 9.484 2.418 28 HD11 LEU 4 1HD1 LEU 4 16.149 10.062 1.350 29 HD12 LEU 4 2HD1 LEU 4 15.788 9.117 2.803 30 HD13 LEU 4 3HD1 LEU 4 15.382 10.831 2.748 31 HD21 LEU 4 3HD2 LEU 4 13.504 11.632 1.438 32 HD22 LEU 4 1HD2 LEU 4 12.501 10.532 0.497 33 HD23 LEU 4 2HD2 LEU 4 14.127 10.933 -0.066 34 H LYS 5 H LYS 5 16.376 6.512 -0.436 35 HA LYS 5 HA LYS 5 15.185 4.100 -1.568 36 HB2 LYS 5 2HB LYS 5 17.895 4.666 -0.313 37 HB3 LYS 5 1HB LYS 5 17.470 3.229 -1.210 38 HG2 LYS 5 2HG LYS 5 17.602 4.288 -3.276 39 HG3 LYS 5 1HG LYS 5 17.204 5.870 -2.610 40 HD2 LYS 5 2HD LYS 5 19.543 5.782 -3.375 41 HD3 LYS 5 1HD LYS 5 19.439 6.074 -1.640 42 HE2 LYS 5 2HE LYS 5 19.910 3.623 -1.270 43 HE3 LYS 5 1HE LYS 5 20.162 3.460 -3.013 44 HZ1 LYS 5 3HZ LYS 5 21.966 5.050 -2.866 45 HZ2 LYS 5 1HZ LYS 5 22.236 3.760 -1.805 46 HZ3 LYS 5 2HZ LYS 5 21.703 5.249 -1.206 47 H GLU 6 H GLU 6 14.471 5.492 1.168 48 HA GLU 6 HA GLU 6 14.429 3.302 3.031 49 HB2 GLU 6 2HB GLU 6 15.987 4.229 4.671 50 HB3 GLU 6 1HB GLU 6 16.847 4.022 3.145 51 HG2 GLU 6 2HG GLU 6 16.619 6.422 2.663 52 HG3 GLU 6 1HG GLU 6 15.684 6.658 4.149 53 H LEU 7 H LEU 7 13.858 4.384 5.334 54 HA LEU 7 HA LEU 7 11.582 6.142 4.888 55 HB2 LEU 7 2HB LEU 7 12.653 4.717 7.340 56 HB3 LEU 7 1HB LEU 7 11.253 5.785 7.399 57 HG LEU 7 HG LEU 7 11.529 3.115 5.976 58 HD11 LEU 7 1HD1 LEU 7 9.614 4.013 8.129 59 HD12 LEU 7 2HD1 LEU 7 11.043 2.999 8.350 60 HD13 LEU 7 3HD1 LEU 7 9.700 2.414 7.377 61 HD21 LEU 7 3HD2 LEU 7 9.258 3.372 5.123 62 HD22 LEU 7 1HD2 LEU 7 10.307 4.627 4.478 63 HD23 LEU 7 2HD2 LEU 7 9.166 5.017 5.769 64 HA PRO 8 HA PRO 8 14.045 9.848 6.163 65 HB2 PRO 8 2HB PRO 8 12.107 11.653 5.376 66 HB3 PRO 8 1HB PRO 8 13.286 10.945 4.252 67 HG2 PRO 8 2HG PRO 8 10.433 10.162 4.715 68 HG3 PRO 8 1HG PRO 8 11.327 10.298 3.191 69 HD2 PRO 8 2HD PRO 8 10.901 7.894 4.391 70 HD3 PRO 8 1HD PRO 8 12.340 8.229 3.431 71 H GLU 9 H GLU 9 12.204 11.987 7.054 72 HA GLU 9 HA GLU 9 12.289 11.165 9.818 73 HB2 GLU 9 2HB GLU 9 11.620 13.842 8.538 74 HB3 GLU 9 1HB GLU 9 11.733 13.580 10.279 75 HG2 GLU 9 2HG GLU 9 13.791 14.545 9.566 76 HG3 GLU 9 1HG GLU 9 14.089 12.856 9.980 77 H GLY 10 H GLY 10 10.675 10.621 11.097 78 HA2 GLY 10 2HA GLY 10 8.626 10.984 12.172 79 HA3 GLY 10 1HA GLY 10 7.992 11.713 10.708 80 H PHE 11 H PHE 11 9.658 8.731 10.242 81 HA PHE 11 HA PHE 11 7.115 7.159 10.288 82 HB2 PHE 11 2HB PHE 11 9.302 6.657 8.239 83 HB3 PHE 11 1HB PHE 11 7.658 6.087 8.208 84 HD1 PHE 11 2HD PHE 11 5.779 7.884 7.908 85 HD2 PHE 11 1HD PHE 11 9.887 8.582 7.157 86 HE1 PHE 11 2HE PHE 11 5.191 9.871 6.645 87 HE2 PHE 11 1HE PHE 11 9.301 10.605 5.897 88 HZ PHE 11 HZ PHE 11 6.959 11.234 5.654 89 H ASP 12 H ASP 12 7.616 4.746 10.252 90 HA ASP 12 HA ASP 12 10.009 3.973 11.786 91 HB2 ASP 12 2HB ASP 12 8.236 4.571 13.461 92 HB3 ASP 12 1HB ASP 12 7.168 3.402 12.754 93 H LYS 13 H LYS 13 10.737 2.061 11.008 94 HA LYS 13 HA LYS 13 9.833 0.847 8.744 95 HB2 LYS 13 2HB LYS 13 11.530 -0.301 10.983 96 HB3 LYS 13 1HB LYS 13 11.407 -0.971 9.371 97 HG2 LYS 13 2HG LYS 13 12.354 1.103 8.415 98 HG3 LYS 13 1HG LYS 13 12.467 1.787 10.037 99 HD2 LYS 13 2HD LYS 13 14.652 0.995 9.385 100 HD3 LYS 13 1HD LYS 13 14.038 -0.057 10.661 101 HE2 LYS 13 2HE LYS 13 13.392 -1.727 8.947 102 HE3 LYS 13 1HE LYS 13 14.032 -0.662 7.689 103 HZ1 LYS 13 3HZ LYS 13 15.632 -1.793 9.929 104 HZ2 LYS 13 1HZ LYS 13 16.219 -0.893 8.625 105 HZ3 LYS 13 2HZ LYS 13 15.584 -2.436 8.366 106 H GLU 14 H GLU 14 9.145 -0.104 12.086 107 HA GLU 14 HA GLU 14 7.885 -2.612 11.271 108 HB2 GLU 14 2HB GLU 14 8.181 -1.324 14.015 109 HB3 GLU 14 1HB GLU 14 7.581 -2.959 13.720 110 HG2 GLU 14 2HG GLU 14 9.772 -3.534 12.666 111 HG3 GLU 14 1HG GLU 14 10.362 -1.918 13.064 112 H THR 15 H THR 15 6.917 0.588 12.304 113 HA THR 15 HA THR 15 4.096 0.084 12.544 114 HB THR 15 HB THR 15 5.659 2.698 12.171 115 HG1 THR 15 1HG THR 15 6.227 1.532 14.056 116 HG21 THR 15 3HG2 THR 15 3.707 3.824 13.175 117 HG22 THR 15 1HG2 THR 15 2.824 2.296 13.217 118 HG23 THR 15 2HG2 THR 15 3.248 3.028 11.669 119 H VAL 16 H VAL 16 6.268 0.889 9.918 120 HA VAL 16 HA VAL 16 4.234 1.742 8.051 121 HB VAL 16 HB VAL 16 7.252 1.403 7.744 122 HG11 VAL 16 1HG1 VAL 16 7.067 2.474 5.505 123 HG12 VAL 16 2HG1 VAL 16 5.304 2.382 5.617 124 HG13 VAL 16 3HG1 VAL 16 6.264 0.902 5.553 125 HG21 VAL 16 3HG2 VAL 16 5.506 3.908 7.705 126 HG22 VAL 16 1HG2 VAL 16 7.264 3.874 7.539 127 HG23 VAL 16 2HG2 VAL 16 6.511 3.382 9.057 128 H ARG 17 H ARG 17 6.165 -1.109 8.644 129 HA ARG 17 HA ARG 17 5.381 -2.716 6.483 130 HB2 ARG 17 2HB ARG 17 7.182 -3.306 8.067 131 HB3 ARG 17 1HB ARG 17 6.005 -3.503 9.361 132 HG2 ARG 17 2HG ARG 17 4.983 -5.406 8.129 133 HG3 ARG 17 1HG ARG 17 6.188 -5.210 6.848 134 HD2 ARG 17 2HD ARG 17 7.983 -5.674 8.480 135 HD3 ARG 17 1HD ARG 17 6.767 -5.877 9.753 136 HE ARG 17 HE ARG 17 6.426 -7.599 7.445 137 HH11 ARG 17 1HH1 ARG 17 7.895 -7.317 10.621 138 HH12 ARG 17 2HH1 ARG 17 8.023 -9.026 10.847 139 HH21 ARG 17 1HH2 ARG 17 6.585 -9.841 7.762 140 HH22 ARG 17 2HH2 ARG 17 7.281 -10.461 9.224 141 H LYS 18 H LYS 18 4.039 -2.539 9.795 142 HA LYS 18 HA LYS 18 1.937 -4.301 9.666 143 HB2 LYS 18 2HB LYS 18 2.833 -3.214 11.704 144 HB3 LYS 18 1HB LYS 18 2.065 -1.701 11.223 145 HG2 LYS 18 2HG LYS 18 -0.160 -2.887 11.318 146 HG3 LYS 18 1HG LYS 18 0.682 -4.297 11.973 147 HD2 LYS 18 2HD LYS 18 0.521 -1.535 13.227 148 HD3 LYS 18 1HD LYS 18 -0.335 -2.979 13.769 149 HE2 LYS 18 2HE LYS 18 1.824 -4.044 14.332 150 HE3 LYS 18 1HE LYS 18 2.684 -2.616 13.757 151 HZ1 LYS 18 3HZ LYS 18 0.899 -2.811 16.109 152 HZ2 LYS 18 1HZ LYS 18 1.472 -1.347 15.484 153 HZ3 LYS 18 2HZ LYS 18 2.558 -2.491 16.077 154 H GLN 19 H GLN 19 1.947 -0.852 8.895 155 HA GLN 19 HA GLN 19 -0.806 -0.389 8.597 156 HB2 GLN 19 2HB GLN 19 1.346 1.216 8.681 157 HB3 GLN 19 1HB GLN 19 1.222 1.142 6.933 158 HG2 GLN 19 2HG GLN 19 -0.880 2.162 8.874 159 HG3 GLN 19 1HG GLN 19 0.150 3.144 7.841 160 HE21 GLN 19 1HE2 GLN 19 -2.559 0.964 7.927 161 HE22 GLN 19 2HE2 GLN 19 -3.183 1.352 6.377 162 H ALA 20 H ALA 20 1.641 -1.469 6.283 163 HA ALA 20 HA ALA 20 -0.031 -1.145 3.956 164 HB1 ALA 20 1HB ALA 20 1.886 -2.124 2.758 165 HB2 ALA 20 2HB ALA 20 2.675 -2.490 4.297 166 HB3 ALA 20 3HB ALA 20 2.403 -0.811 3.824 167 H MET 21 H MET 21 0.935 -3.665 6.231 168 HA MET 21 HA MET 21 0.312 -5.953 4.792 169 HB2 MET 21 2HB MET 21 0.132 -5.524 7.802 170 HB3 MET 21 1HB MET 21 0.001 -7.097 7.032 171 HG2 MET 21 2HG MET 21 2.344 -6.511 6.044 172 HG3 MET 21 1HG MET 21 2.417 -5.362 7.373 173 HE1 MET 21 3HE MET 21 1.950 -6.277 10.016 174 HE2 MET 21 1HE MET 21 1.889 -8.000 10.388 175 HE3 MET 21 2HE MET 21 0.578 -7.256 9.479 176 H GLU 22 H GLU 22 -1.674 -3.984 6.923 177 HA GLU 22 HA GLU 22 -4.022 -5.575 6.869 178 HB2 GLU 22 2HB GLU 22 -3.671 -2.627 7.574 179 HB3 GLU 22 1HB GLU 22 -5.078 -3.621 7.973 180 HG2 GLU 22 2HG GLU 22 -3.716 -5.054 9.402 181 HG3 GLU 22 1HG GLU 22 -2.254 -4.182 8.937 182 H ASP 23 H ASP 23 -3.011 -2.657 5.079 183 HA ASP 23 HA ASP 23 -5.475 -2.320 3.667 184 HB2 ASP 23 2HB ASP 23 -2.731 -1.064 3.454 185 HB3 ASP 23 1HB ASP 23 -3.940 -0.741 2.205 186 H ILE 24 H ILE 24 -2.643 -4.241 2.939 187 HA ILE 24 HA ILE 24 -3.186 -4.825 0.217 188 HB ILE 24 HB ILE 24 -1.886 -6.493 2.422 189 HG12 ILE 24 2HG1 ILE 24 -0.621 -5.110 0.011 190 HG13 ILE 24 1HG1 ILE 24 -0.702 -4.408 1.620 191 HG21 ILE 24 1HG2 ILE 24 -1.989 -7.230 -0.534 192 HG22 ILE 24 2HG2 ILE 24 -2.791 -8.094 0.780 193 HG23 ILE 24 3HG2 ILE 24 -1.032 -8.058 0.701 194 HD11 ILE 24 3HD1 ILE 24 1.478 -5.340 1.170 195 HD12 ILE 24 1HD1 ILE 24 0.773 -6.926 0.870 196 HD13 ILE 24 2HD1 ILE 24 0.697 -6.214 2.486 197 H GLU 25 H GLU 25 -4.474 -6.068 3.261 198 HA GLU 25 HA GLU 25 -6.011 -8.191 2.146 199 HB2 GLU 25 2HB GLU 25 -6.211 -6.905 4.880 200 HB3 GLU 25 1HB GLU 25 -6.938 -8.445 4.422 201 HG2 GLU 25 2HG GLU 25 -4.739 -9.450 4.136 202 HG3 GLU 25 1HG GLU 25 -3.948 -7.904 4.439 203 H ILE 26 H ILE 26 -6.783 -4.947 3.263 204 HA ILE 26 HA ILE 26 -9.624 -5.167 2.942 205 HB ILE 26 HB ILE 26 -7.875 -2.672 3.165 206 HG12 ILE 26 2HG1 ILE 26 -9.345 -3.929 5.513 207 HG13 ILE 26 1HG1 ILE 26 -7.789 -4.586 5.025 208 HG21 ILE 26 1HG2 ILE 26 -9.905 -1.557 4.079 209 HG22 ILE 26 2HG2 ILE 26 -10.848 -3.015 3.760 210 HG23 ILE 26 3HG2 ILE 26 -10.155 -2.101 2.419 211 HD11 ILE 26 3HD1 ILE 26 -6.703 -2.513 5.444 212 HD12 ILE 26 1HD1 ILE 26 -7.641 -2.988 6.858 213 HD13 ILE 26 2HD1 ILE 26 -8.245 -1.716 5.794 214 H ALA 27 H ALA 27 -6.997 -4.511 0.788 215 HA ALA 27 HA ALA 27 -8.541 -3.153 -1.276 216 HB1 ALA 27 1HB ALA 27 -5.734 -4.308 -1.361 217 HB2 ALA 27 2HB ALA 27 -6.160 -2.639 -0.973 218 HB3 ALA 27 3HB ALA 27 -6.463 -3.272 -2.593 219 H GLN 28 H GLN 28 -7.064 -6.378 -0.784 220 HA GLN 28 HA GLN 28 -7.976 -7.505 -3.240 221 HB2 GLN 28 2HB GLN 28 -7.157 -9.623 -2.434 222 HB3 GLN 28 1HB GLN 28 -6.018 -8.382 -1.923 223 HG2 GLN 28 2HG GLN 28 -7.097 -8.430 0.326 224 HG3 GLN 28 1HG GLN 28 -8.085 -9.778 -0.205 225 HE21 GLN 28 1HE2 GLN 28 -4.852 -8.742 0.628 226 HE22 GLN 28 2HE2 GLN 28 -4.184 -10.320 0.816 227 H SER 29 H SER 29 -9.397 -7.170 -0.065 228 HA SER 29 HA SER 29 -11.605 -8.962 -0.461 229 HB2 SER 29 2HB SER 29 -11.190 -6.731 1.567 230 HB3 SER 29 1HB SER 29 -12.501 -7.913 1.620 231 HG SER 29 HG SER 29 -9.810 -8.758 1.509 232 H LYS 30 H LYS 30 -10.880 -5.931 -1.774 233 HA LYS 30 HA LYS 30 -11.926 -4.729 -3.360 234 HB2 LYS 30 2HB LYS 30 -12.797 -7.033 -4.032 235 HB3 LYS 30 1HB LYS 30 -14.253 -6.682 -3.119 236 HG2 LYS 30 2HG LYS 30 -14.622 -4.700 -4.639 237 HG3 LYS 30 1HG LYS 30 -13.270 -5.272 -5.618 238 HD2 LYS 30 2HD LYS 30 -15.882 -6.743 -5.072 239 HD3 LYS 30 1HD LYS 30 -15.395 -5.997 -6.596 240 HE2 LYS 30 2HE LYS 30 -13.498 -7.619 -6.729 241 HE3 LYS 30 1HE LYS 30 -14.090 -8.391 -5.257 242 HZ1 LYS 30 3HZ LYS 30 -14.771 -9.498 -7.329 243 HZ2 LYS 30 1HZ LYS 30 -15.667 -8.130 -7.752 244 HZ3 LYS 30 2HZ LYS 30 -16.080 -9.019 -6.374 245 H ASP 31 H ASP 31 -11.939 -3.828 -0.813 246 HA ASP 31 HA ASP 31 -14.557 -2.622 -0.255 247 HB2 ASP 31 2HB ASP 31 -11.877 -2.325 1.188 248 HB3 ASP 31 1HB ASP 31 -13.365 -1.526 1.676 249 H TYR 32 H TYR 32 -15.083 -0.712 -1.013 250 HA TYR 32 HA TYR 32 -13.119 0.988 -2.399 251 HB2 TYR 32 2HB TYR 32 -16.107 1.552 -2.407 252 HB3 TYR 32 1HB TYR 32 -14.913 1.885 -3.659 253 HD1 TYR 32 1HD TYR 32 -13.673 -0.846 -3.954 254 HD2 TYR 32 2HD TYR 32 -17.769 0.312 -3.577 255 HE1 TYR 32 1HE TYR 32 -14.346 -2.902 -5.063 256 HE2 TYR 32 2HE TYR 32 -18.450 -1.755 -4.710 257 HH TYR 32 HH TYR 32 -17.350 -3.373 -6.376 258 H GLU 33 H GLU 33 -16.099 1.758 -0.565 259 HA GLU 33 HA GLU 33 -15.119 4.287 0.324 260 HB2 GLU 33 2HB GLU 33 -17.262 4.402 1.603 261 HB3 GLU 33 1HB GLU 33 -17.490 3.966 -0.090 262 HG2 GLU 33 2HG GLU 33 -17.858 1.641 0.487 263 HG3 GLU 33 1HG GLU 33 -17.448 1.945 2.174 264 H SER 34 H SER 34 -15.184 1.073 1.782 265 HA SER 34 HA SER 34 -14.721 1.855 4.496 266 HB2 SER 34 2HB SER 34 -14.086 -0.803 3.145 267 HB3 SER 34 1HB SER 34 -14.304 -0.526 4.874 268 HG SER 34 HG SER 34 -16.209 -1.321 4.104 269 H TRP 35 H TRP 35 -12.752 1.381 1.703 270 HA TRP 35 HA TRP 35 -10.209 1.249 3.161 271 HB2 TRP 35 2HB TRP 35 -10.795 -0.400 1.362 272 HB3 TRP 35 1HB TRP 35 -10.853 0.919 0.202 273 HD1 TRP 35 HD TRP 35 -8.110 -0.058 2.816 274 HE1 TRP 35 1HE TRP 35 -5.883 -0.275 1.558 275 HE3 TRP 35 3HE TRP 35 -9.769 0.933 -1.924 276 HZ2 TRP 35 2HZ TRP 35 -4.963 -0.086 -1.089 277 HZ3 TRP 35 3HZ TRP 35 -8.147 0.873 -3.771 278 HH2 TRP 35 HH TRP 35 -5.793 0.381 -3.358 279 H LYS 36 H LYS 36 -12.191 3.443 1.325 280 HA LYS 36 HA LYS 36 -10.372 5.259 0.230 281 HB2 LYS 36 2HB LYS 36 -13.181 5.687 1.322 282 HB3 LYS 36 1HB LYS 36 -12.263 7.005 0.615 283 HG2 LYS 36 2HG LYS 36 -12.161 4.987 -1.340 284 HG3 LYS 36 1HG LYS 36 -13.795 4.878 -0.701 285 HD2 LYS 36 2HD LYS 36 -12.468 7.361 -1.826 286 HD3 LYS 36 1HD LYS 36 -13.689 6.390 -2.640 287 HE2 LYS 36 2HE LYS 36 -14.144 7.889 -0.034 288 HE3 LYS 36 1HE LYS 36 -14.560 8.514 -1.630 289 HZ1 LYS 36 3HZ LYS 36 -15.699 6.133 -0.293 290 HZ2 LYS 36 1HZ LYS 36 -15.999 6.536 -1.909 291 HZ3 LYS 36 2HZ LYS 36 -16.487 7.576 -0.675 292 H SER 37 H SER 37 -11.697 5.071 3.513 293 HA SER 37 HA SER 37 -11.032 7.643 4.404 294 HB2 SER 37 2HB SER 37 -11.379 5.110 6.077 295 HB3 SER 37 1HB SER 37 -11.512 6.774 6.658 296 HG SER 37 HG SER 37 -13.350 7.042 5.500 297 H ARG 38 H ARG 38 -8.973 4.822 4.077 298 HA ARG 38 HA ARG 38 -6.842 5.659 5.768 299 HB2 ARG 38 2HB ARG 38 -7.090 3.351 4.731 300 HB3 ARG 38 1HB ARG 38 -6.606 4.055 3.191 301 HG2 ARG 38 2HG ARG 38 -4.633 3.117 4.118 302 HG3 ARG 38 1HG ARG 38 -4.479 4.860 4.333 303 HD2 ARG 38 2HD ARG 38 -3.796 3.917 6.408 304 HD3 ARG 38 1HD ARG 38 -5.436 4.497 6.697 305 HE ARG 38 HE ARG 38 -5.374 1.778 5.804 306 HH11 ARG 38 1HH1 ARG 38 -5.043 3.720 8.703 307 HH12 ARG 38 2HH1 ARG 38 -5.471 2.420 9.754 308 HH21 ARG 38 1HH2 ARG 38 -5.807 0.093 7.158 309 HH22 ARG 38 2HH2 ARG 38 -5.907 0.337 8.875 310 H PHE 39 H PHE 39 -7.546 6.081 2.292 311 HA PHE 39 HA PHE 39 -5.271 7.535 1.502 312 HB2 PHE 39 2HB PHE 39 -8.092 7.435 0.348 313 HB3 PHE 39 1HB PHE 39 -6.789 8.321 -0.428 314 HD1 PHE 39 2HD PHE 39 -7.726 4.886 0.738 315 HD2 PHE 39 1HD PHE 39 -5.387 7.219 -1.991 316 HE1 PHE 39 2HE PHE 39 -7.082 2.853 -0.473 317 HE2 PHE 39 1HE PHE 39 -4.742 5.173 -3.178 318 HZ PHE 39 HZ PHE 39 -5.583 2.989 -2.423 319 H THR 40 H THR 40 -5.354 9.774 0.591 320 HA THR 40 HA THR 40 -5.953 11.696 2.625 321 HB THR 40 HB THR 40 -5.043 13.357 1.247 322 HG1 THR 40 1HG THR 40 -5.212 13.412 -0.984 323 HG21 THR 40 3HG2 THR 40 -3.906 10.863 -0.046 324 HG22 THR 40 1HG2 THR 40 -3.313 11.617 1.437 325 HG23 THR 40 2HG2 THR 40 -3.184 12.472 -0.101 326 H LYS 41 H LYS 41 -7.496 13.442 2.505 327 HA LYS 41 HA LYS 41 -10.144 12.679 1.876 328 HB2 LYS 41 2HB LYS 41 -8.837 15.255 2.688 329 HB3 LYS 41 1HB LYS 41 -10.508 15.303 2.160 330 HG2 LYS 41 2HG LYS 41 -10.534 15.185 4.547 331 HG3 LYS 41 1HG LYS 41 -11.046 13.606 3.953 332 HD2 LYS 41 2HD LYS 41 -9.542 13.272 5.830 333 HD3 LYS 41 1HD LYS 41 -8.719 12.740 4.364 334 HE2 LYS 41 2HE LYS 41 -7.472 14.891 4.308 335 HE3 LYS 41 1HE LYS 41 -8.288 15.392 5.790 336 HZ1 LYS 41 3HZ LYS 41 -6.053 14.497 6.159 337 HZ2 LYS 41 1HZ LYS 41 -6.547 13.001 5.552 338 HZ3 LYS 41 2HZ LYS 41 -7.240 13.607 6.968 339 H ASP 42 H ASP 42 -7.688 14.374 0.068 340 HA ASP 42 HA ASP 42 -9.216 15.234 -2.176 341 HB2 ASP 42 2HB ASP 42 -6.981 16.118 -1.684 342 HB3 ASP 42 1HB ASP 42 -6.267 14.526 -1.867 343 H LEU 43 H LEU 43 -7.491 12.228 -1.392 344 HA LEU 43 HA LEU 43 -7.793 11.038 -3.995 345 HB2 LEU 43 2HB LEU 43 -6.852 9.875 -1.372 346 HB3 LEU 43 1HB LEU 43 -6.901 8.965 -2.874 347 HG LEU 43 HG LEU 43 -5.184 11.416 -2.300 348 HD11 LEU 43 1HD1 LEU 43 -4.444 8.547 -2.834 349 HD12 LEU 43 2HD1 LEU 43 -4.336 9.393 -1.287 350 HD13 LEU 43 3HD1 LEU 43 -3.311 9.890 -2.631 351 HD21 LEU 43 3HD2 LEU 43 -5.380 9.807 -4.843 352 HD22 LEU 43 1HD2 LEU 43 -4.243 11.119 -4.515 353 HD23 LEU 43 2HD2 LEU 43 -5.967 11.460 -4.615 354 H GLN 44 H GLN 44 -9.636 11.136 -1.082 355 HA GLN 44 HA GLN 44 -11.404 8.981 -1.669 356 HB2 GLN 44 2HB GLN 44 -11.604 11.383 0.158 357 HB3 GLN 44 1HB GLN 44 -12.851 10.134 0.057 358 HG2 GLN 44 2HG GLN 44 -11.167 8.422 0.639 359 HG3 GLN 44 1HG GLN 44 -9.942 9.669 0.778 360 HE21 GLN 44 1HE2 GLN 44 -9.735 10.689 2.655 361 HE22 GLN 44 2HE2 GLN 44 -10.773 10.504 3.995 362 H SER 45 H SER 45 -10.979 12.033 -3.074 363 HA SER 45 HA SER 45 -13.502 11.797 -4.595 364 HB2 SER 45 2HB SER 45 -11.755 14.223 -4.152 365 HB3 SER 45 1HB SER 45 -13.255 14.200 -5.088 366 HG SER 45 HG SER 45 -14.385 13.785 -3.215 367 H SER 46 H SER 46 -10.257 11.063 -4.745 368 HA SER 46 HA SER 46 -10.114 11.377 -7.691 369 HB2 SER 46 2HB SER 46 -7.828 11.596 -5.687 370 HB3 SER 46 1HB SER 46 -7.654 11.681 -7.442 371 HG SER 46 HG SER 46 -9.046 13.488 -5.749 372 H LEU 47 H LEU 47 -10.783 9.053 -5.588 373 HA LEU 47 HA LEU 47 -8.968 6.968 -6.335 374 HB2 LEU 47 2HB LEU 47 -11.687 6.926 -5.053 375 HB3 LEU 47 1HB LEU 47 -11.009 5.442 -5.690 376 HG LEU 47 HG LEU 47 -10.277 6.953 -3.222 377 HD11 LEU 47 1HD1 LEU 47 -11.447 4.840 -3.116 378 HD12 LEU 47 2HD1 LEU 47 -9.856 4.706 -2.368 379 HD13 LEU 47 3HD1 LEU 47 -10.130 4.051 -3.990 380 HD21 LEU 47 3HD2 LEU 47 -7.998 6.055 -3.105 381 HD22 LEU 47 1HD2 LEU 47 -8.170 7.237 -4.401 382 HD23 LEU 47 2HD2 LEU 47 -8.118 5.510 -4.783 383 H THR 48 H THR 48 -8.894 5.786 -8.044 384 HA THR 48 HA THR 48 -11.027 5.894 -10.094 385 HB THR 48 HB THR 48 -9.138 4.999 -11.627 386 HG1 THR 48 1HG THR 48 -7.730 4.503 -9.789 387 HG21 THR 48 3HG2 THR 48 -8.167 7.230 -12.032 388 HG22 THR 48 1HG2 THR 48 -8.796 7.795 -10.484 389 HG23 THR 48 2HG2 THR 48 -9.909 7.343 -11.776 390 H GLU 49 H GLU 49 -12.182 4.100 -10.338 391 HA GLU 49 HA GLU 49 -11.905 1.855 -8.648 392 HB2 GLU 49 2HB GLU 49 -13.634 2.380 -11.086 393 HB3 GLU 49 1HB GLU 49 -13.780 0.935 -10.099 394 HG2 GLU 49 2HG GLU 49 -14.344 2.279 -8.137 395 HG3 GLU 49 1HG GLU 49 -14.113 3.762 -9.059 396 H GLU 50 H GLU 50 -10.712 2.504 -11.848 397 HA GLU 50 HA GLU 50 -10.038 -0.067 -12.702 398 HB2 GLU 50 2HB GLU 50 -10.106 2.076 -14.042 399 HB3 GLU 50 1HB GLU 50 -8.584 2.532 -13.296 400 HG2 GLU 50 2HG GLU 50 -7.459 0.637 -14.309 401 HG3 GLU 50 1HG GLU 50 -8.989 0.037 -14.951 402 H SER 51 H SER 51 -8.411 2.143 -10.456 403 HA SER 51 HA SER 51 -5.894 0.854 -10.322 404 HB2 SER 51 2HB SER 51 -7.325 2.542 -8.234 405 HB3 SER 51 1HB SER 51 -5.642 2.020 -8.099 406 HG SER 51 HG SER 51 -5.533 3.054 -10.336 407 H TYR 52 H TYR 52 -8.973 0.054 -8.697 408 HA TYR 52 HA TYR 52 -7.622 -2.134 -7.260 409 HB2 TYR 52 2HB TYR 52 -9.482 -2.409 -5.880 410 HB3 TYR 52 1HB TYR 52 -9.507 -0.680 -6.156 411 HD1 TYR 52 1HD TYR 52 -11.146 -3.907 -7.109 412 HD2 TYR 52 2HD TYR 52 -11.505 0.361 -7.119 413 HE1 TYR 52 1HE TYR 52 -13.491 -4.105 -7.789 414 HE2 TYR 52 2HE TYR 52 -13.848 0.147 -7.811 415 HH TYR 52 HH TYR 52 -15.311 -1.495 -8.945 416 H ASP 53 H ASP 53 -9.689 -1.553 -10.043 417 HA ASP 53 HA ASP 53 -10.711 -4.198 -10.329 418 HB2 ASP 53 2HB ASP 53 -11.951 -2.348 -11.306 419 HB3 ASP 53 1HB ASP 53 -10.579 -1.890 -12.305 420 H SER 54 H SER 54 -8.321 -2.406 -12.299 421 HA SER 54 HA SER 54 -7.357 -4.510 -13.854 422 HB2 SER 54 2HB SER 54 -6.842 -2.144 -14.339 423 HB3 SER 54 1HB SER 54 -5.863 -2.038 -12.875 424 HG SER 54 HG SER 54 -4.296 -2.652 -14.111 425 H TYR 55 H TYR 55 -6.362 -3.378 -10.677 426 HA TYR 55 HA TYR 55 -4.258 -5.091 -10.070 427 HB2 TYR 55 2HB TYR 55 -4.543 -3.361 -8.529 428 HB3 TYR 55 1HB TYR 55 -6.290 -3.501 -8.520 429 HD1 TYR 55 2HD TYR 55 -3.255 -5.410 -7.420 430 HD2 TYR 55 1HD TYR 55 -7.322 -4.379 -6.585 431 HE1 TYR 55 2HE TYR 55 -3.138 -6.598 -5.309 432 HE2 TYR 55 1HE TYR 55 -7.194 -5.585 -4.451 433 HH TYR 55 HH TYR 55 -4.176 -6.754 -3.197 434 H LEU 56 H LEU 56 -7.785 -5.683 -9.828 435 HA LEU 56 HA LEU 56 -7.647 -8.177 -8.503 436 HB2 LEU 56 2HB LEU 56 -9.828 -7.055 -10.300 437 HB3 LEU 56 1HB LEU 56 -9.996 -8.542 -9.384 438 HG LEU 56 HG LEU 56 -9.617 -5.783 -8.170 439 HD11 LEU 56 1HD1 LEU 56 -12.110 -7.482 -8.338 440 HD12 LEU 56 2HD1 LEU 56 -11.804 -5.971 -9.201 441 HD13 LEU 56 3HD1 LEU 56 -11.950 -5.964 -7.442 442 HD21 LEU 56 3HD2 LEU 56 -8.655 -7.510 -6.724 443 HD22 LEU 56 1HD2 LEU 56 -10.166 -8.425 -6.787 444 HD23 LEU 56 2HD2 LEU 56 -10.120 -6.839 -6.011 445 H LYS 57 H LYS 57 -7.166 -7.344 -11.905 446 HA LYS 57 HA LYS 57 -7.501 -9.923 -13.033 447 HB2 LYS 57 2HB LYS 57 -5.974 -7.476 -13.882 448 HB3 LYS 57 1HB LYS 57 -5.851 -8.950 -14.796 449 HG2 LYS 57 2HG LYS 57 -7.428 -7.440 -15.827 450 HG3 LYS 57 1HG LYS 57 -8.210 -8.927 -15.348 451 HD2 LYS 57 2HD LYS 57 -8.411 -6.429 -13.635 452 HD3 LYS 57 1HD LYS 57 -9.446 -6.630 -15.045 453 HE2 LYS 57 2HE LYS 57 -10.259 -8.809 -14.012 454 HE3 LYS 57 1HE LYS 57 -9.357 -8.381 -12.569 455 HZ1 LYS 57 3HZ LYS 57 -11.663 -7.750 -12.386 456 HZ2 LYS 57 1HZ LYS 57 -11.533 -6.767 -13.753 457 HZ3 LYS 57 2HZ LYS 57 -10.666 -6.382 -12.356 458 H ILE 58 H ILE 58 -4.826 -8.351 -11.383 459 HA ILE 58 HA ILE 58 -2.967 -10.474 -11.902 460 HB ILE 58 HB ILE 58 -2.853 -8.283 -9.771 461 HG12 ILE 58 2HG1 ILE 58 -0.892 -7.459 -11.291 462 HG13 ILE 58 1HG1 ILE 58 -1.572 -8.502 -12.533 463 HG21 ILE 58 1HG2 ILE 58 -0.684 -10.283 -10.524 464 HG22 ILE 58 2HG2 ILE 58 -1.554 -10.203 -8.993 465 HG23 ILE 58 3HG2 ILE 58 -0.459 -8.900 -9.448 466 HD11 ILE 58 3HD1 ILE 58 -2.252 -6.203 -12.810 467 HD12 ILE 58 1HD1 ILE 58 -2.953 -6.186 -11.192 468 HD13 ILE 58 2HD1 ILE 58 -3.649 -7.218 -12.445 469 H LEU 59 H LEU 59 -4.968 -9.418 -9.171 470 HA LEU 59 HA LEU 59 -4.231 -11.184 -7.167 471 HB2 LEU 59 2HB LEU 59 -5.708 -9.158 -7.008 472 HB3 LEU 59 1HB LEU 59 -7.005 -10.109 -7.616 473 HG LEU 59 HG LEU 59 -6.716 -11.654 -5.611 474 HD11 LEU 59 1HD1 LEU 59 -4.949 -9.423 -4.574 475 HD12 LEU 59 2HD1 LEU 59 -4.444 -11.066 -4.974 476 HD13 LEU 59 3HD1 LEU 59 -5.552 -10.791 -3.630 477 HD21 LEU 59 3HD2 LEU 59 -8.545 -10.080 -5.713 478 HD22 LEU 59 1HD2 LEU 59 -7.521 -8.789 -5.080 479 HD23 LEU 59 2HD2 LEU 59 -7.930 -10.173 -4.063 480 H GLU 60 H GLU 60 -6.689 -11.582 -9.624 481 HA GLU 60 HA GLU 60 -8.177 -13.658 -8.591 482 HB2 GLU 60 2HB GLU 60 -8.976 -14.053 -10.894 483 HB3 GLU 60 1HB GLU 60 -8.881 -12.339 -10.514 484 HG2 GLU 60 2HG GLU 60 -6.881 -12.060 -11.743 485 HG3 GLU 60 1HG GLU 60 -6.718 -13.789 -11.962 486 H LYS 61 H LYS 61 -5.106 -13.796 -10.101 487 HA LYS 61 HA LYS 61 -5.087 -16.750 -10.287 488 HB2 LYS 61 2HB LYS 61 -3.144 -16.383 -11.909 489 HB3 LYS 61 1HB LYS 61 -4.737 -15.898 -12.480 490 HG2 LYS 61 2HG LYS 61 -4.217 -13.555 -11.912 491 HG3 LYS 61 1HG LYS 61 -2.618 -14.048 -11.369 492 HD2 LYS 61 2HD LYS 61 -2.553 -13.052 -13.628 493 HD3 LYS 61 1HD LYS 61 -2.018 -14.732 -13.649 494 HE2 LYS 61 2HE LYS 61 -3.480 -14.184 -15.571 495 HE3 LYS 61 1HE LYS 61 -4.183 -15.439 -14.554 496 HZ1 LYS 61 3HZ LYS 61 -4.923 -12.572 -14.336 497 HZ2 LYS 61 1HZ LYS 61 -5.707 -13.899 -13.641 498 HZ3 LYS 61 2HZ LYS 61 -5.748 -13.676 -15.314 499 H GLN 62 H GLN 62 -4.093 -14.272 -8.355 500 HA GLN 62 HA GLN 62 -1.587 -15.407 -7.426 501 HB2 GLN 62 2HB GLN 62 -3.316 -13.227 -6.204 502 HB3 GLN 62 1HB GLN 62 -1.691 -13.621 -5.739 503 HG2 GLN 62 2HG GLN 62 -2.618 -12.336 -8.255 504 HG3 GLN 62 1HG GLN 62 -1.671 -11.602 -6.988 505 HE21 GLN 62 1HE2 GLN 62 -1.665 -13.607 -9.773 506 HE22 GLN 62 2HE2 GLN 62 0.029 -13.743 -9.936 507 H GLY 63 H GLY 63 -4.997 -15.576 -6.610 508 HA2 GLY 63 2HA GLY 63 -6.017 -17.032 -5.050 509 HA3 GLY 63 1HA GLY 63 -4.450 -17.382 -4.355 510 H GLU 64 H GLU 64 -5.857 -17.121 -2.476 511 HA GLU 64 HA GLU 64 -6.452 -14.423 -1.581 512 HB2 GLU 64 2HB GLU 64 -7.546 -15.709 0.234 513 HB3 GLU 64 1HB GLU 64 -8.178 -16.079 -1.336 514 HG2 GLU 64 2HG GLU 64 -6.671 -18.116 -1.321 515 HG3 GLU 64 1HG GLU 64 -6.324 -17.767 0.373 516 H PHE 65 H PHE 65 -5.776 -13.740 0.548 517 HA PHE 65 HA PHE 65 -2.983 -14.032 0.953 518 HB2 PHE 65 2HB PHE 65 -3.814 -11.885 1.500 519 HB3 PHE 65 1HB PHE 65 -5.139 -12.535 2.482 520 HD1 PHE 65 2HD PHE 65 -1.391 -12.485 2.393 521 HD2 PHE 65 1HD PHE 65 -4.884 -12.447 4.843 522 HE1 PHE 65 2HE PHE 65 0.006 -12.252 4.374 523 HE2 PHE 65 1HE PHE 65 -3.467 -12.229 6.842 524 HZ PHE 65 HZ PHE 65 -1.019 -12.131 6.612 525 H LYS 66 H LYS 66 -1.845 -15.262 2.168 526 HA LYS 66 HA LYS 66 -2.945 -16.672 4.432 527 HB2 LYS 66 2HB LYS 66 -1.915 -18.830 3.573 528 HB3 LYS 66 1HB LYS 66 -3.424 -18.332 2.863 529 HG2 LYS 66 2HG LYS 66 -2.181 -19.103 1.050 530 HG3 LYS 66 1HG LYS 66 -1.987 -17.352 0.975 531 HD2 LYS 66 2HD LYS 66 0.170 -18.358 0.556 532 HD3 LYS 66 1HD LYS 66 0.206 -17.577 2.139 533 HE2 LYS 66 2HE LYS 66 -0.015 -19.748 3.249 534 HE3 LYS 66 1HE LYS 66 -0.174 -20.554 1.685 535 HZ1 LYS 66 3HZ LYS 66 2.229 -19.069 2.617 536 HZ2 LYS 66 1HZ LYS 66 2.065 -19.866 1.133 537 HZ3 LYS 66 2HZ LYS 66 2.061 -20.753 2.570 538 H GLU 67 H GLU 67 -0.277 -15.107 2.938 539 HA GLU 67 HA GLU 67 1.309 -15.150 5.330 540 HB2 GLU 67 2HB GLU 67 1.787 -17.397 4.431 541 HB3 GLU 67 1HB GLU 67 2.200 -16.710 2.866 542 HG2 GLU 67 2HG GLU 67 4.169 -15.646 3.841 543 HG3 GLU 67 1HG GLU 67 3.747 -16.294 5.435 544 H PHE 68 H PHE 68 3.228 -13.700 5.079 545 HA PHE 68 HA PHE 68 3.239 -11.972 2.659 546 HB2 PHE 68 2HB PHE 68 3.766 -11.269 5.574 547 HB3 PHE 68 1HB PHE 68 4.359 -10.252 4.272 548 HD1 PHE 68 1HD PHE 68 2.359 -9.822 2.402 549 HD2 PHE 68 2HD PHE 68 1.825 -10.390 6.618 550 HE1 PHE 68 1HE PHE 68 0.238 -8.635 2.285 551 HE2 PHE 68 2HE PHE 68 -0.313 -9.189 6.475 552 HZ PHE 68 HZ PHE 68 -1.109 -8.309 4.322 553 H GLY 69 H GLY 69 5.297 -11.424 1.777 554 HA2 GLY 69 2HA GLY 69 7.642 -12.953 2.613 555 HA3 GLY 69 1HA GLY 69 7.492 -11.830 1.247 556 H LYS 70 H LYS 70 9.302 -10.691 1.680 557 HA LYS 70 HA LYS 70 9.806 -9.373 4.249 558 HB2 LYS 70 2HB LYS 70 11.320 -9.385 1.610 559 HB3 LYS 70 1HB LYS 70 11.891 -8.621 3.095 560 HG2 LYS 70 2HG LYS 70 12.093 -10.754 4.198 561 HG3 LYS 70 1HG LYS 70 11.296 -11.583 2.852 562 HD2 LYS 70 2HD LYS 70 13.224 -10.832 1.374 563 HD3 LYS 70 1HD LYS 70 14.036 -10.252 2.832 564 HE2 LYS 70 2HE LYS 70 14.124 -12.511 3.733 565 HE3 LYS 70 1HE LYS 70 13.132 -13.126 2.413 566 HZ1 LYS 70 3HZ LYS 70 14.914 -12.610 0.881 567 HZ2 LYS 70 1HZ LYS 70 15.458 -13.639 2.105 568 HZ3 LYS 70 2HZ LYS 70 15.867 -11.998 2.136 569 H CYS 71 H CYS 71 10.614 -7.010 3.973 570 HA CYS 71 HA CYS 71 8.733 -5.443 2.328 571 HB2 CYS 71 2HB CYS 71 9.114 -4.685 5.205 572 HB3 CYS 71 1HB CYS 71 7.785 -4.322 4.134 573 HG CYS 71 HG CYS 71 7.219 -7.282 4.183 574 H THR 72 H THR 72 10.262 -4.466 1.112 575 HA THR 72 HA THR 72 12.560 -3.036 1.973 576 HB THR 72 HB THR 72 10.718 -2.450 -0.394 577 HG1 THR 72 1HG THR 72 11.899 -3.905 -1.548 578 HG21 THR 72 3HG2 THR 72 12.692 -1.451 -1.488 579 HG22 THR 72 1HG2 THR 72 13.649 -1.735 -0.030 580 HG23 THR 72 2HG2 THR 72 12.298 -0.598 0.004 581 H TYR 73 H TYR 73 12.702 -0.789 2.583 582 HA TYR 73 HA TYR 73 10.193 0.702 2.824 583 HB2 TYR 73 2HB TYR 73 12.525 1.092 4.752 584 HB3 TYR 73 1HB TYR 73 10.969 1.841 4.759 585 HD1 TYR 73 2HD TYR 73 8.871 0.423 5.045 586 HD2 TYR 73 1HD TYR 73 12.808 -0.988 5.940 587 HE1 TYR 73 2HE TYR 73 7.917 -1.392 6.411 588 HE2 TYR 73 1HE TYR 73 11.862 -2.793 7.289 589 HH TYR 73 HH TYR 73 9.683 -3.210 8.558 590 H LEU 74 H LEU 74 10.234 2.701 2.269 591 HA LEU 74 HA LEU 74 12.526 3.980 1.060 592 HB2 LEU 74 2HB LEU 74 11.195 4.357 -1.094 593 HB3 LEU 74 1HB LEU 74 11.966 2.837 -0.867 594 HG LEU 74 HG LEU 74 8.979 3.266 -0.568 595 HD11 LEU 74 1HD1 LEU 74 10.550 1.978 -2.800 596 HD12 LEU 74 2HD1 LEU 74 9.801 3.582 -2.873 597 HD13 LEU 74 3HD1 LEU 74 8.790 2.143 -2.711 598 HD21 LEU 74 3HD2 LEU 74 9.749 1.320 0.739 599 HD22 LEU 74 1HD2 LEU 74 10.563 0.661 -0.685 600 HD23 LEU 74 2HD2 LEU 74 8.801 0.805 -0.647 601 H GLY 75 H GLY 75 11.493 6.044 -0.095 602 HA2 GLY 75 2HA GLY 75 9.527 7.257 1.697 603 HA3 GLY 75 1HA GLY 75 11.190 7.771 1.926 604 H GLN 76 H GLN 76 9.416 9.616 1.340 605 HA GLN 76 HA GLN 76 10.340 10.705 -1.112 606 HB2 GLN 76 2HB GLN 76 7.634 10.981 -1.727 607 HB3 GLN 76 1HB GLN 76 8.687 9.777 -2.457 608 HG2 GLN 76 2HG GLN 76 7.858 8.067 -0.989 609 HG3 GLN 76 1HG GLN 76 7.031 9.239 0.022 610 HE21 GLN 76 1HE2 GLN 76 5.032 8.304 -0.167 611 HE22 GLN 76 2HE2 GLN 76 4.130 8.280 -1.649 612 H ILE 77 H ILE 77 9.984 12.906 -1.233 613 HA ILE 77 HA ILE 77 8.149 14.225 0.701 614 HB ILE 77 HB ILE 77 10.831 15.384 -0.247 615 HG12 ILE 77 2HG1 ILE 77 11.253 15.450 2.364 616 HG13 ILE 77 1HG1 ILE 77 10.010 14.208 2.442 617 HG21 ILE 77 1HG2 ILE 77 9.072 17.102 -0.032 618 HG22 ILE 77 2HG2 ILE 77 10.320 17.315 1.196 619 HG23 ILE 77 3HG2 ILE 77 8.767 16.598 1.634 620 HD11 ILE 77 3HD1 ILE 77 12.674 14.071 1.061 621 HD12 ILE 77 1HD1 ILE 77 11.418 12.835 0.897 622 HD13 ILE 77 2HD1 ILE 77 12.129 13.176 2.479 623 H LYS 78 H LYS 78 6.682 15.417 -0.325 624 HA LYS 78 HA LYS 78 6.546 15.269 -3.223 625 HB2 LYS 78 2HB LYS 78 4.612 15.056 -1.456 626 HB3 LYS 78 1HB LYS 78 4.594 16.806 -1.467 627 HG2 LYS 78 2HG LYS 78 4.148 15.071 -3.926 628 HG3 LYS 78 1HG LYS 78 2.853 15.677 -2.897 629 HD2 LYS 78 2HD LYS 78 4.769 17.356 -4.570 630 HD3 LYS 78 1HD LYS 78 3.064 17.048 -4.912 631 HE2 LYS 78 2HE LYS 78 2.459 18.258 -2.814 632 HE3 LYS 78 1HE LYS 78 4.172 18.611 -2.546 633 HZ1 LYS 78 3HZ LYS 78 3.027 20.453 -3.594 634 HZ2 LYS 78 1HZ LYS 78 2.578 19.475 -4.895 635 HZ3 LYS 78 2HZ LYS 78 4.209 19.826 -4.627 636 H ASP 79 H ASP 79 6.922 17.738 -0.752 637 HA ASP 79 HA ASP 79 8.411 19.508 -2.458 638 HB2 ASP 79 2HB ASP 79 6.053 20.101 -3.111 639 HB3 ASP 79 1HB ASP 79 5.691 20.459 -1.425 640 H ASN 80 H ASN 80 6.331 19.685 0.431 641 HA ASN 80 HA ASN 80 8.693 20.041 2.147 642 HB2 ASN 80 2HB ASN 80 7.506 21.623 3.556 643 HB3 ASN 80 1HB ASN 80 7.487 22.212 1.898 644 HD21 ASN 80 1HD2 ASN 80 5.696 22.750 4.164 645 HD22 ASN 80 2HD2 ASN 80 4.125 22.345 3.602 646 H LYS 81 H LYS 81 5.848 18.389 1.471 647 HA LYS 81 HA LYS 81 5.330 17.374 4.142 648 HB2 LYS 81 2HB LYS 81 3.929 17.336 1.485 649 HB3 LYS 81 1HB LYS 81 3.617 15.973 2.533 650 HG2 LYS 81 2HG LYS 81 3.252 18.758 3.613 651 HG3 LYS 81 1HG LYS 81 2.038 18.046 2.555 652 HD2 LYS 81 2HD LYS 81 1.329 17.604 4.800 653 HD3 LYS 81 1HD LYS 81 1.892 16.080 4.141 654 HE2 LYS 81 2HE LYS 81 4.081 16.491 5.370 655 HE3 LYS 81 1HE LYS 81 3.299 17.874 6.141 656 HZ1 LYS 81 3HZ LYS 81 2.274 15.097 6.281 657 HZ2 LYS 81 1HZ LYS 81 1.722 16.433 7.160 658 HZ3 LYS 81 2HZ LYS 81 3.266 15.799 7.454 659 H LYS 82 H LYS 82 5.761 15.267 4.753 660 HA LYS 82 HA LYS 82 7.654 13.804 2.985 661 HB2 LYS 82 2HB LYS 82 7.518 13.726 6.025 662 HB3 LYS 82 1HB LYS 82 8.666 12.843 5.017 663 HG2 LYS 82 2HG LYS 82 9.586 15.010 4.217 664 HG3 LYS 82 1HG LYS 82 8.464 15.864 5.281 665 HD2 LYS 82 2HD LYS 82 9.541 14.684 7.239 666 HD3 LYS 82 1HD LYS 82 10.724 14.006 6.114 667 HE2 LYS 82 2HE LYS 82 11.613 15.993 7.283 668 HE3 LYS 82 1HE LYS 82 11.502 16.268 5.545 669 HZ1 LYS 82 3HZ LYS 82 10.710 18.165 6.831 670 HZ2 LYS 82 1HZ LYS 82 9.522 17.202 7.555 671 HZ3 LYS 82 2HZ LYS 82 9.467 17.508 5.895 672 H TYR 83 H TYR 83 7.526 11.578 2.918 673 HA TYR 83 HA TYR 83 4.987 10.264 3.617 674 HB2 TYR 83 2HB TYR 83 6.138 10.549 0.795 675 HB3 TYR 83 1HB TYR 83 4.756 9.547 1.198 676 HD1 TYR 83 1HD TYR 83 2.608 10.629 1.895 677 HD2 TYR 83 2HD TYR 83 5.926 12.953 0.576 678 HE1 TYR 83 1HE TYR 83 1.156 12.537 1.641 679 HE2 TYR 83 2HE TYR 83 4.450 14.892 0.339 680 HH TYR 83 HH TYR 83 1.282 14.964 1.616 681 H GLY 84 H GLY 84 5.174 8.066 3.900 682 HA2 GLY 84 2HA GLY 84 7.919 6.910 3.816 683 HA3 GLY 84 1HA GLY 84 6.701 6.542 5.030 684 H GLY 85 H GLY 85 8.135 5.350 2.329 685 HA2 GLY 85 2HA GLY 85 5.803 3.886 1.309 686 HA3 GLY 85 1HA GLY 85 7.352 4.087 0.503 687 H VAL 86 H VAL 86 6.136 1.662 0.737 688 HA VAL 86 HA VAL 86 8.174 0.056 1.962 689 HB VAL 86 HB VAL 86 6.786 0.224 3.909 690 HG11 VAL 86 1HG1 VAL 86 4.364 -0.490 2.218 691 HG12 VAL 86 2HG1 VAL 86 4.728 1.100 2.895 692 HG13 VAL 86 3HG1 VAL 86 4.370 -0.253 3.969 693 HG21 VAL 86 3HG2 VAL 86 6.046 -2.102 4.304 694 HG22 VAL 86 1HG2 VAL 86 7.610 -2.050 3.488 695 HG23 VAL 86 2HG2 VAL 86 6.150 -2.435 2.573 696 H ILE 87 H ILE 87 8.617 -1.454 0.485 697 HA ILE 87 HA ILE 87 6.531 -2.405 -1.396 698 HB ILE 87 HB ILE 87 9.571 -2.672 -1.581 699 HG12 ILE 87 2HG1 ILE 87 7.704 -1.131 -3.429 700 HG13 ILE 87 1HG1 ILE 87 8.553 -0.375 -2.100 701 HG21 ILE 87 1HG2 ILE 87 7.451 -3.630 -3.544 702 HG22 ILE 87 2HG2 ILE 87 8.470 -4.662 -2.538 703 HG23 ILE 87 3HG2 ILE 87 9.197 -3.683 -3.814 704 HD11 ILE 87 3HD1 ILE 87 9.812 -1.711 -4.492 705 HD12 ILE 87 1HD1 ILE 87 10.696 -0.988 -3.144 706 HD13 ILE 87 2HD1 ILE 87 9.694 0.020 -4.185 707 H ILE 88 H ILE 88 5.505 -3.856 -0.091 708 HA ILE 88 HA ILE 88 7.091 -5.942 1.276 709 HB ILE 88 HB ILE 88 5.842 -4.735 2.916 710 HG12 ILE 88 2HG1 ILE 88 4.326 -7.316 2.293 711 HG13 ILE 88 1HG1 ILE 88 5.823 -7.191 3.211 712 HG21 ILE 88 1HG2 ILE 88 3.317 -5.081 1.262 713 HG22 ILE 88 2HG2 ILE 88 4.232 -3.582 1.455 714 HG23 ILE 88 3HG2 ILE 88 3.427 -4.305 2.847 715 HD11 ILE 88 3HD1 ILE 88 3.904 -7.518 4.639 716 HD12 ILE 88 1HD1 ILE 88 3.162 -6.046 4.022 717 HD13 ILE 88 2HD1 ILE 88 4.663 -5.957 4.950 718 H VAL 89 H VAL 89 7.152 -7.785 0.180 719 HA VAL 89 HA VAL 89 5.182 -8.669 -1.672 720 HB VAL 89 HB VAL 89 7.033 -9.863 -2.234 721 HG11 VAL 89 1HG1 VAL 89 8.840 -10.634 -0.826 722 HG12 VAL 89 2HG1 VAL 89 7.937 -10.065 0.580 723 HG13 VAL 89 3HG1 VAL 89 8.495 -8.914 -0.630 724 HG21 VAL 89 3HG2 VAL 89 5.439 -11.662 -1.826 725 HG22 VAL 89 1HG2 VAL 89 6.068 -11.846 -0.187 726 HG23 VAL 89 2HG2 VAL 89 7.096 -12.213 -1.577 727 H VAL 90 H VAL 90 3.542 -9.996 -1.460 728 HA VAL 90 HA VAL 90 2.846 -11.170 1.162 729 HB VAL 90 HB VAL 90 1.136 -9.528 0.514 730 HG11 VAL 90 1HG1 VAL 90 -0.200 -9.672 -1.422 731 HG12 VAL 90 2HG1 VAL 90 0.796 -11.001 -2.030 732 HG13 VAL 90 3HG1 VAL 90 1.499 -9.394 -1.810 733 HG21 VAL 90 3HG2 VAL 90 0.072 -12.344 0.106 734 HG22 VAL 90 1HG2 VAL 90 -0.896 -10.934 0.550 735 HG23 VAL 90 2HG2 VAL 90 0.321 -11.557 1.665 736 H LYS 91 H LYS 91 2.909 -13.295 1.153 737 HA LYS 91 HA LYS 91 3.209 -14.776 -1.355 738 HB2 LYS 91 2HB LYS 91 3.491 -15.707 1.542 739 HB3 LYS 91 1HB LYS 91 3.992 -16.592 0.101 740 HG2 LYS 91 2HG LYS 91 5.689 -14.871 -0.393 741 HG3 LYS 91 1HG LYS 91 5.162 -13.934 1.000 742 HD2 LYS 91 2HD LYS 91 7.090 -14.982 1.793 743 HD3 LYS 91 1HD LYS 91 5.819 -16.034 2.399 744 HE2 LYS 91 2HE LYS 91 7.423 -16.571 -0.124 745 HE3 LYS 91 1HE LYS 91 7.810 -17.242 1.456 746 HZ1 LYS 91 3HZ LYS 91 6.593 -18.783 0.057 747 HZ2 LYS 91 1HZ LYS 91 5.288 -17.718 -0.023 748 HZ3 LYS 91 2HZ LYS 91 5.723 -18.405 1.455 749 H TYR 92 H TYR 92 1.025 -14.455 -2.033 750 HA TYR 92 HA TYR 92 -1.249 -15.463 -0.586 751 HB2 TYR 92 2HB TYR 92 -0.831 -14.971 -3.581 752 HB3 TYR 92 1HB TYR 92 -2.371 -15.434 -2.884 753 HD1 TYR 92 2HD TYR 92 -3.056 -13.819 -0.839 754 HD2 TYR 92 1HD TYR 92 -0.627 -12.678 -4.117 755 HE1 TYR 92 2HE TYR 92 -3.761 -11.516 -0.519 756 HE2 TYR 92 1HE TYR 92 -1.350 -10.332 -3.829 757 HH TYR 92 HH TYR 92 -3.253 -9.340 -1.063 758 H GLU 93 H GLU 93 -2.610 -17.170 -1.980 759 HA GLU 93 HA GLU 93 -1.627 -19.678 -1.441 760 HB2 GLU 93 2HB GLU 93 -4.055 -18.801 -1.879 761 HB3 GLU 93 1HB GLU 93 -3.718 -19.189 -3.559 762 HG2 GLU 93 2HG GLU 93 -3.370 -21.517 -3.030 763 HG3 GLU 93 1HG GLU 93 -3.473 -21.185 -1.304 764 H GLU 94 H GLU 94 -1.578 -17.962 -4.475 765 HA GLU 94 HA GLU 94 -0.095 -20.106 -5.851 766 HB2 GLU 94 2HB GLU 94 -2.483 -18.513 -6.879 767 HB3 GLU 94 1HB GLU 94 -1.619 -19.763 -7.776 768 HG2 GLU 94 2HG GLU 94 -2.772 -20.523 -5.108 769 HG3 GLU 94 1HG GLU 94 -3.893 -20.256 -6.395 770 H GLY 95 H GLY 95 0.164 -16.937 -4.906 771 HA2 GLY 95 2HA GLY 95 2.201 -16.328 -6.877 772 HA3 GLY 95 1HA GLY 95 0.774 -15.315 -7.028 773 H ASN 96 H ASN 96 3.542 -14.555 -6.286 774 HA ASN 96 HA ASN 96 3.039 -13.393 -3.600 775 HB2 ASN 96 2HB ASN 96 5.765 -13.673 -4.927 776 HB3 ASN 96 1HB ASN 96 5.430 -13.175 -3.274 777 HD21 ASN 96 1HD2 ASN 96 6.699 -14.756 -2.327 778 HD22 ASN 96 2HD2 ASN 96 6.286 -16.434 -2.363 779 H VAL 97 H VAL 97 2.939 -11.177 -3.460 780 HA VAL 97 HA VAL 97 3.630 -9.665 -5.916 781 HB VAL 97 HB VAL 97 1.228 -8.893 -4.205 782 HG11 VAL 97 1HG1 VAL 97 1.882 -8.379 -7.129 783 HG12 VAL 97 2HG1 VAL 97 2.043 -7.221 -5.807 784 HG13 VAL 97 3HG1 VAL 97 0.444 -7.796 -6.282 785 HG21 VAL 97 3HG2 VAL 97 0.746 -11.167 -4.749 786 HG22 VAL 97 1HG2 VAL 97 1.116 -10.894 -6.461 787 HG23 VAL 97 2HG2 VAL 97 -0.283 -10.108 -5.720 788 H ASN 98 H ASN 98 4.906 -8.000 -5.592 789 HA ASN 98 HA ASN 98 5.656 -7.172 -2.880 790 HB2 ASN 98 2HB ASN 98 6.851 -6.240 -5.520 791 HB3 ASN 98 1HB ASN 98 7.590 -6.147 -3.930 792 HD21 ASN 98 1HD2 ASN 98 8.277 -8.141 -2.975 793 HD22 ASN 98 2HD2 ASN 98 8.687 -9.474 -3.975 794 H TYR 99 H TYR 99 3.832 -5.969 -2.272 795 HA TYR 99 HA TYR 99 2.636 -3.882 -3.799 796 HB2 TYR 99 2HB TYR 99 2.387 -4.779 -0.918 797 HB3 TYR 99 1HB TYR 99 1.554 -3.341 -1.486 798 HD1 TYR 99 2HD TYR 99 1.820 -6.996 -1.912 799 HD2 TYR 99 1HD TYR 99 -0.429 -3.506 -2.873 800 HE1 TYR 99 2HE TYR 99 0.022 -8.365 -2.796 801 HE2 TYR 99 1HE TYR 99 -2.225 -4.928 -3.764 802 HH TYR 99 HH TYR 99 -2.223 -8.346 -3.308 803 H SER 100 H SER 100 3.802 -2.123 -4.316 804 HA SER 100 HA SER 100 5.471 -0.718 -2.399 805 HB2 SER 100 2HB SER 100 6.036 -0.837 -4.847 806 HB3 SER 100 1HB SER 100 4.643 0.174 -5.190 807 HG SER 100 HG SER 100 6.643 0.954 -3.359 808 H LEU 101 H LEU 101 3.807 -0.445 -0.864 809 HA LEU 101 HA LEU 101 1.678 1.500 -1.271 810 HB2 LEU 101 2HB LEU 101 2.570 -0.266 0.992 811 HB3 LEU 101 1HB LEU 101 1.695 1.177 1.426 812 HG LEU 101 HG LEU 101 0.292 -0.928 1.160 813 HD11 LEU 101 1HD1 LEU 101 -1.570 0.189 0.136 814 HD12 LEU 101 2HD1 LEU 101 -0.484 1.433 -0.491 815 HD13 LEU 101 3HD1 LEU 101 -0.702 1.235 1.251 816 HD21 LEU 101 3HD2 LEU 101 -0.329 -1.710 -1.013 817 HD22 LEU 101 1HD2 LEU 101 1.422 -1.793 -0.871 818 HD23 LEU 101 2HD2 LEU 101 0.675 -0.486 -1.795 819 H ALA 102 H ALA 102 1.622 3.556 -0.278 820 HA ALA 102 HA ALA 102 3.787 4.511 1.373 821 HB1 ALA 102 1HB ALA 102 3.429 5.770 -1.369 822 HB2 ALA 102 2HB ALA 102 4.814 4.816 -0.845 823 HB3 ALA 102 3HB ALA 102 4.478 6.373 -0.087 824 H TYR 103 H TYR 103 3.272 6.493 2.353 825 HA TYR 103 HA TYR 103 0.740 7.818 1.923 826 HB2 TYR 103 2HB TYR 103 -0.118 7.272 4.275 827 HB3 TYR 103 1HB TYR 103 -0.197 5.966 3.096 828 HD1 TYR 103 2HD TYR 103 1.926 7.281 5.884 829 HD2 TYR 103 1HD TYR 103 0.750 3.867 3.595 830 HE1 TYR 103 2HE TYR 103 3.059 5.825 7.483 831 HE2 TYR 103 1HE TYR 103 1.907 2.408 5.175 832 HH TYR 103 HH TYR 103 3.540 2.508 6.851 833 H ASP 104 H ASP 104 0.341 9.398 3.734 834 HA ASP 104 HA ASP 104 2.734 10.983 4.063 835 HB2 ASP 104 2HB ASP 104 0.752 12.032 3.320 836 HB3 ASP 104 1HB ASP 104 -0.216 11.401 4.576 837 H GLU 105 H GLU 105 3.074 12.149 6.151 838 HA GLU 105 HA GLU 105 3.630 10.500 8.366 839 HB2 GLU 105 2HB GLU 105 3.229 13.509 8.160 840 HB3 GLU 105 1HB GLU 105 3.871 12.711 9.591 841 HG2 GLU 105 2HG GLU 105 5.863 12.087 8.529 842 HG3 GLU 105 1HG GLU 105 5.198 12.292 6.914 843 H ASP 106 H ASP 106 0.765 12.425 7.569 844 HA ASP 106 HA ASP 106 -0.642 11.746 10.045 845 HB2 ASP 106 2HB ASP 106 -1.609 13.181 7.533 846 HB3 ASP 106 1HB ASP 106 -2.558 12.985 9.005 847 H MET 107 H MET 107 0.059 10.124 7.214 848 HA MET 107 HA MET 107 -0.165 7.903 6.884 849 HB2 MET 107 2HB MET 107 -2.235 7.985 9.097 850 HB3 MET 107 1HB MET 107 -1.733 6.513 8.274 851 HG2 MET 107 2HG MET 107 0.594 6.896 9.070 852 HG3 MET 107 1HG MET 107 0.028 8.317 9.953 853 HE1 MET 107 3HE MET 107 -2.135 5.041 9.539 854 HE2 MET 107 1HE MET 107 -1.480 4.050 10.842 855 HE3 MET 107 2HE MET 107 -0.468 4.480 9.455 856 H ASN 108 H ASN 108 -1.653 10.050 5.605 857 HA ASN 108 HA ASN 108 -4.121 8.892 4.630 858 HB2 ASN 108 2HB ASN 108 -2.544 11.222 3.458 859 HB3 ASN 108 1HB ASN 108 -4.229 10.836 3.183 860 HD21 ASN 108 1HD2 ASN 108 -1.951 12.290 5.344 861 HD22 ASN 108 2HD2 ASN 108 -3.110 12.973 6.408 862 H LEU 109 H LEU 109 -3.999 7.166 3.222 863 HA LEU 109 HA LEU 109 -1.645 6.204 2.113 864 HB2 LEU 109 2HB LEU 109 -4.037 5.070 2.508 865 HB3 LEU 109 1HB LEU 109 -4.297 5.513 0.839 866 HG LEU 109 HG LEU 109 -2.410 4.189 0.111 867 HD11 LEU 109 1HD1 LEU 109 -1.980 3.416 3.006 868 HD12 LEU 109 2HD1 LEU 109 -0.916 4.435 2.028 869 HD13 LEU 109 3HD1 LEU 109 -1.138 2.743 1.607 870 HD21 LEU 109 3HD2 LEU 109 -4.566 3.044 0.255 871 HD22 LEU 109 1HD2 LEU 109 -4.240 2.582 1.928 872 HD23 LEU 109 2HD2 LEU 109 -3.259 1.926 0.613 873 H VAL 110 H VAL 110 -0.523 7.197 0.695 874 HA VAL 110 HA VAL 110 -1.766 9.137 -1.121 875 HB VAL 110 HB VAL 110 0.207 9.413 0.786 876 HG11 VAL 110 1HG1 VAL 110 2.383 9.794 -0.229 877 HG12 VAL 110 2HG1 VAL 110 1.795 9.158 -1.769 878 HG13 VAL 110 3HG1 VAL 110 1.886 8.100 -0.355 879 HG21 VAL 110 3HG2 VAL 110 -0.172 11.134 -1.660 880 HG22 VAL 110 1HG2 VAL 110 0.709 11.608 -0.206 881 HG23 VAL 110 2HG2 VAL 110 -1.009 11.247 -0.103 882 H SER 111 H SER 111 -0.764 6.048 -1.106 883 HA SER 111 HA SER 111 -0.544 5.694 -3.903 884 HB2 SER 111 2HB SER 111 1.784 6.518 -3.472 885 HB3 SER 111 1HB SER 111 2.001 5.267 -2.265 886 HG SER 111 HG SER 111 1.982 5.071 -5.045 887 H PHE 112 H PHE 112 -1.273 3.693 -4.254 888 HA PHE 112 HA PHE 112 -0.389 1.493 -2.555 889 HB2 PHE 112 2HB PHE 112 -2.593 1.664 -1.656 890 HB3 PHE 112 1HB PHE 112 -3.316 2.059 -3.196 891 HD1 PHE 112 2HD PHE 112 -3.693 0.185 -4.918 892 HD2 PHE 112 1HD PHE 112 -2.223 -0.677 -0.973 893 HE1 PHE 112 2HE PHE 112 -4.274 -2.178 -5.204 894 HE2 PHE 112 1HE PHE 112 -2.820 -3.028 -1.297 895 HZ PHE 112 HZ PHE 112 -3.837 -3.789 -3.401 896 H THR 113 H THR 113 0.864 0.548 -3.956 897 HA THR 113 HA THR 113 -0.162 -0.153 -6.622 898 HB THR 113 HB THR 113 2.753 0.706 -6.365 899 HG1 THR 113 1HG THR 113 2.024 2.641 -5.818 900 HG21 THR 113 3HG2 THR 113 2.482 1.290 -8.749 901 HG22 THR 113 1HG2 THR 113 0.768 0.867 -8.666 902 HG23 THR 113 2HG2 THR 113 2.001 -0.383 -8.463 903 H MET 114 H MET 114 1.366 -1.867 -7.570 904 HA MET 114 HA MET 114 2.748 -3.534 -5.645 905 HB2 MET 114 2HB MET 114 1.219 -5.503 -6.673 906 HB3 MET 114 1HB MET 114 0.848 -4.672 -5.173 907 HG2 MET 114 2HG MET 114 -1.150 -4.742 -6.333 908 HG3 MET 114 1HG MET 114 -0.606 -3.112 -6.571 909 HE1 MET 114 3HE MET 114 -0.551 -6.422 -9.742 910 HE2 MET 114 1HE MET 114 -1.207 -6.588 -8.114 911 HE3 MET 114 2HE MET 114 0.535 -6.436 -8.353 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 16.169 18.202 0.436 2 H2 GLY 1 2HT GLY 1 17.516 17.228 0.148 3 H3 GLY 1 3HT GLY 1 16.072 16.533 0.674 4 HA2 GLY 1 1HA GLY 1 14.980 17.160 -1.390 5 HA3 GLY 1 2HA GLY 1 16.480 17.903 -1.924 6 H GLU 2 H GLU 2 14.779 14.898 -1.420 7 HA GLU 2 HA GLU 2 16.322 13.382 -3.261 8 HB2 GLU 2 2HB GLU 2 17.992 13.340 -1.422 9 HB3 GLU 2 1HB GLU 2 16.777 12.775 -0.290 10 HG2 GLU 2 2HG GLU 2 18.243 10.946 -0.896 11 HG3 GLU 2 1HG GLU 2 16.624 10.640 -1.519 12 H ILE 3 H ILE 3 15.286 11.368 -3.671 13 HA ILE 3 HA ILE 3 12.867 10.708 -2.082 14 HB ILE 3 HB ILE 3 13.611 9.824 -4.930 15 HG12 ILE 3 2HG1 ILE 3 13.105 12.261 -4.804 16 HG13 ILE 3 1HG1 ILE 3 11.915 11.390 -5.750 17 HG21 ILE 3 1HG2 ILE 3 12.201 8.159 -3.812 18 HG22 ILE 3 2HG2 ILE 3 11.286 8.970 -5.084 19 HG23 ILE 3 3HG2 ILE 3 11.018 9.402 -3.394 20 HD11 ILE 3 3HD1 ILE 3 10.867 13.068 -4.380 21 HD12 ILE 3 1HD1 ILE 3 11.579 12.382 -2.921 22 HD13 ILE 3 2HD1 ILE 3 10.368 11.471 -3.828 23 H LEU 4 H LEU 4 13.274 9.183 -0.692 24 HA LEU 4 HA LEU 4 15.914 8.123 -0.447 25 HB2 LEU 4 2HB LEU 4 13.431 7.889 1.287 26 HB3 LEU 4 1HB LEU 4 15.031 7.386 1.775 27 HG LEU 4 HG LEU 4 14.188 9.516 2.751 28 HD11 LEU 4 1HD1 LEU 4 16.569 8.993 2.811 29 HD12 LEU 4 2HD1 LEU 4 16.305 10.728 2.663 30 HD13 LEU 4 3HD1 LEU 4 16.787 9.787 1.244 31 HD21 LEU 4 3HD2 LEU 4 14.643 10.808 0.098 32 HD22 LEU 4 1HD2 LEU 4 14.247 11.621 1.618 33 HD23 LEU 4 2HD2 LEU 4 13.084 10.528 0.871 34 H LYS 5 H LYS 5 16.526 5.971 -0.286 35 HA LYS 5 HA LYS 5 14.729 3.826 -1.176 36 HB2 LYS 5 2HB LYS 5 16.792 2.485 -1.185 37 HB3 LYS 5 1HB LYS 5 17.018 3.995 -2.070 38 HG2 LYS 5 2HG LYS 5 18.006 4.950 0.100 39 HG3 LYS 5 1HG LYS 5 18.017 3.288 0.684 40 HD2 LYS 5 2HD LYS 5 19.468 4.341 -1.762 41 HD3 LYS 5 1HD LYS 5 20.213 3.965 -0.210 42 HE2 LYS 5 2HE LYS 5 19.519 1.574 -0.504 43 HE3 LYS 5 1HE LYS 5 18.914 1.983 -2.111 44 HZ1 LYS 5 3HZ LYS 5 21.730 2.284 -1.210 45 HZ2 LYS 5 1HZ LYS 5 21.146 2.630 -2.756 46 HZ3 LYS 5 2HZ LYS 5 21.147 1.037 -2.188 47 H GLU 6 H GLU 6 14.431 5.265 1.423 48 HA GLU 6 HA GLU 6 14.188 3.126 3.353 49 HB2 GLU 6 2HB GLU 6 15.710 4.133 5.004 50 HB3 GLU 6 1HB GLU 6 16.613 3.764 3.535 51 HG2 GLU 6 2HG GLU 6 16.348 6.180 2.848 52 HG3 GLU 6 1HG GLU 6 15.604 6.506 4.417 53 H LEU 7 H LEU 7 13.376 4.224 5.504 54 HA LEU 7 HA LEU 7 11.442 6.293 4.932 55 HB2 LEU 7 2HB LEU 7 12.214 4.872 7.497 56 HB3 LEU 7 1HB LEU 7 10.937 6.087 7.408 57 HG LEU 7 HG LEU 7 10.978 3.394 6.017 58 HD11 LEU 7 1HD1 LEU 7 9.236 4.389 8.253 59 HD12 LEU 7 2HD1 LEU 7 10.568 3.228 8.376 60 HD13 LEU 7 3HD1 LEU 7 9.136 2.821 7.442 61 HD21 LEU 7 3HD2 LEU 7 8.802 5.494 5.920 62 HD22 LEU 7 1HD2 LEU 7 8.706 3.854 5.262 63 HD23 LEU 7 2HD2 LEU 7 9.852 5.005 4.588 64 HA PRO 8 HA PRO 8 14.387 9.616 6.162 65 HB2 PRO 8 2HB PRO 8 12.599 11.657 5.505 66 HB3 PRO 8 1HB PRO 8 13.725 10.914 4.353 67 HG2 PRO 8 2HG PRO 8 10.807 10.406 4.733 68 HG3 PRO 8 1HG PRO 8 11.760 10.452 3.235 69 HD2 PRO 8 2HD PRO 8 11.002 8.108 4.409 70 HD3 PRO 8 1HD PRO 8 12.486 8.262 3.467 71 H GLU 9 H GLU 9 13.320 11.899 7.302 72 HA GLU 9 HA GLU 9 12.885 11.004 9.978 73 HB2 GLU 9 2HB GLU 9 12.830 13.800 8.761 74 HB3 GLU 9 1HB GLU 9 12.782 13.476 10.496 75 HG2 GLU 9 2HG GLU 9 14.982 12.513 10.447 76 HG3 GLU 9 1HG GLU 9 15.033 12.573 8.687 77 H GLY 10 H GLY 10 11.083 10.964 11.192 78 HA2 GLY 10 2HA GLY 10 9.047 11.880 11.962 79 HA3 GLY 10 1HA GLY 10 8.697 12.445 10.340 80 H PHE 11 H PHE 11 9.807 9.179 10.521 81 HA PHE 11 HA PHE 11 7.056 8.065 10.685 82 HB2 PHE 11 2HB PHE 11 9.062 6.979 8.673 83 HB3 PHE 11 1HB PHE 11 7.362 6.661 8.754 84 HD1 PHE 11 2HD PHE 11 5.722 8.599 8.102 85 HD2 PHE 11 1HD PHE 11 9.908 8.662 7.389 86 HE1 PHE 11 2HE PHE 11 5.405 10.389 6.494 87 HE2 PHE 11 1HE PHE 11 9.591 10.476 5.773 88 HZ PHE 11 HZ PHE 11 7.345 11.323 5.340 89 H ASP 12 H ASP 12 7.170 5.627 10.905 90 HA ASP 12 HA ASP 12 9.499 4.643 12.442 91 HB2 ASP 12 2HB ASP 12 6.561 4.001 12.951 92 HB3 ASP 12 1HB ASP 12 7.924 3.426 13.880 93 H LYS 13 H LYS 13 10.188 2.574 11.835 94 HA LYS 13 HA LYS 13 9.558 1.704 9.256 95 HB2 LYS 13 2HB LYS 13 11.144 0.302 11.432 96 HB3 LYS 13 1HB LYS 13 11.158 -0.095 9.725 97 HG2 LYS 13 2HG LYS 13 12.119 2.117 9.187 98 HG3 LYS 13 1HG LYS 13 12.098 2.536 10.902 99 HD2 LYS 13 2HD LYS 13 14.348 1.864 10.295 100 HD3 LYS 13 1HD LYS 13 13.658 0.627 11.346 101 HE2 LYS 13 2HE LYS 13 13.169 -0.769 9.363 102 HE3 LYS 13 1HE LYS 13 13.872 0.472 8.320 103 HZ1 LYS 13 3HZ LYS 13 15.986 0.160 9.489 104 HZ2 LYS 13 1HZ LYS 13 15.463 -1.265 8.746 105 HZ3 LYS 13 2HZ LYS 13 15.306 -1.076 10.421 106 H GLU 14 H GLU 14 9.028 -0.002 12.366 107 HA GLU 14 HA GLU 14 7.638 -2.174 11.122 108 HB2 GLU 14 2HB GLU 14 8.152 -1.376 14.000 109 HB3 GLU 14 1HB GLU 14 7.080 -2.719 13.632 110 HG2 GLU 14 2HG GLU 14 9.437 -3.388 14.173 111 HG3 GLU 14 1HG GLU 14 8.841 -3.985 12.625 112 H THR 15 H THR 15 6.621 0.896 12.414 113 HA THR 15 HA THR 15 3.828 0.279 12.654 114 HB THR 15 HB THR 15 5.128 3.021 12.334 115 HG1 THR 15 1HG THR 15 4.951 1.270 14.512 116 HG21 THR 15 3HG2 THR 15 2.666 3.048 12.037 117 HG22 THR 15 1HG2 THR 15 3.146 3.859 13.530 118 HG23 THR 15 2HG2 THR 15 2.473 2.231 13.589 119 H VAL 16 H VAL 16 5.884 1.782 10.147 120 HA VAL 16 HA VAL 16 3.904 2.328 8.188 121 HB VAL 16 HB VAL 16 6.924 2.008 8.131 122 HG11 VAL 16 1HG1 VAL 16 7.004 2.534 5.704 123 HG12 VAL 16 2HG1 VAL 16 5.257 2.311 5.616 124 HG13 VAL 16 3HG1 VAL 16 6.296 0.949 6.025 125 HG21 VAL 16 3HG2 VAL 16 5.102 4.308 7.326 126 HG22 VAL 16 1HG2 VAL 16 6.867 4.360 7.389 127 HG23 VAL 16 2HG2 VAL 16 5.934 4.152 8.875 128 H ARG 17 H ARG 17 6.033 -0.473 8.698 129 HA ARG 17 HA ARG 17 5.232 -2.102 6.593 130 HB2 ARG 17 2HB ARG 17 7.169 -2.560 8.087 131 HB3 ARG 17 1HB ARG 17 6.045 -2.978 9.384 132 HG2 ARG 17 2HG ARG 17 5.116 -4.789 7.839 133 HG3 ARG 17 1HG ARG 17 6.472 -4.444 6.755 134 HD2 ARG 17 2HD ARG 17 6.739 -5.235 9.646 135 HD3 ARG 17 1HD ARG 17 6.847 -6.369 8.304 136 HE ARG 17 HE ARG 17 8.713 -4.444 7.736 137 HH11 ARG 17 1HH1 ARG 17 8.187 -6.521 10.529 138 HH12 ARG 17 2HH1 ARG 17 9.869 -6.587 10.943 139 HH21 ARG 17 1HH2 ARG 17 10.915 -4.588 8.255 140 HH22 ARG 17 2HH2 ARG 17 11.417 -5.489 9.646 141 H LYS 18 H LYS 18 4.015 -2.033 9.953 142 HA LYS 18 HA LYS 18 1.990 -3.948 9.766 143 HB2 LYS 18 2HB LYS 18 3.045 -2.370 11.779 144 HB3 LYS 18 1HB LYS 18 1.476 -1.630 11.601 145 HG2 LYS 18 2HG LYS 18 2.067 -4.517 12.326 146 HG3 LYS 18 1HG LYS 18 1.491 -3.259 13.410 147 HD2 LYS 18 2HD LYS 18 -0.518 -4.320 13.030 148 HD3 LYS 18 1HD LYS 18 -0.566 -3.215 11.656 149 HE2 LYS 18 2HE LYS 18 0.344 -5.020 10.213 150 HE3 LYS 18 1HE LYS 18 0.355 -6.107 11.603 151 HZ1 LYS 18 3HZ LYS 18 -1.582 -6.472 10.261 152 HZ2 LYS 18 1HZ LYS 18 -2.033 -4.852 10.387 153 HZ3 LYS 18 2HZ LYS 18 -2.049 -5.840 11.755 154 H GLN 19 H GLN 19 1.955 -0.488 9.072 155 HA GLN 19 HA GLN 19 -0.827 -0.088 8.787 156 HB2 GLN 19 2HB GLN 19 0.836 1.760 9.115 157 HB3 GLN 19 1HB GLN 19 1.444 1.482 7.489 158 HG2 GLN 19 2HG GLN 19 -0.055 3.419 7.537 159 HG3 GLN 19 1HG GLN 19 -0.746 2.132 6.547 160 HE21 GLN 19 1HE2 GLN 19 -2.529 0.955 7.368 161 HE22 GLN 19 2HE2 GLN 19 -3.515 1.584 8.635 162 H ALA 20 H ALA 20 1.644 -1.190 6.539 163 HA ALA 20 HA ALA 20 0.051 -0.797 4.154 164 HB1 ALA 20 1HB ALA 20 1.966 -1.951 3.065 165 HB2 ALA 20 2HB ALA 20 2.705 -2.194 4.653 166 HB3 ALA 20 3HB ALA 20 2.456 -0.562 4.025 167 H MET 21 H MET 21 1.007 -3.354 6.391 168 HA MET 21 HA MET 21 -0.024 -5.563 5.085 169 HB2 MET 21 2HB MET 21 0.329 -4.994 8.046 170 HB3 MET 21 1HB MET 21 0.010 -6.595 7.383 171 HG2 MET 21 2HG MET 21 2.120 -6.712 6.345 172 HG3 MET 21 1HG MET 21 2.374 -4.979 6.444 173 HE1 MET 21 3HE MET 21 2.146 -8.293 8.630 174 HE2 MET 21 1HE MET 21 1.021 -7.163 9.386 175 HE3 MET 21 2HE MET 21 2.508 -7.618 10.219 176 H GLU 22 H GLU 22 -1.617 -3.042 6.903 177 HA GLU 22 HA GLU 22 -4.220 -4.228 7.002 178 HB2 GLU 22 2HB GLU 22 -3.469 -1.266 6.932 179 HB3 GLU 22 1HB GLU 22 -5.030 -1.917 7.419 180 HG2 GLU 22 2HG GLU 22 -2.412 -2.421 8.873 181 HG3 GLU 22 1HG GLU 22 -3.588 -1.189 9.327 182 H ASP 23 H ASP 23 -2.699 -1.817 4.788 183 HA ASP 23 HA ASP 23 -4.862 -1.324 3.098 184 HB2 ASP 23 2HB ASP 23 -1.858 -1.207 2.550 185 HB3 ASP 23 1HB ASP 23 -3.067 -0.563 1.444 186 H ILE 24 H ILE 24 -2.479 -3.862 2.974 187 HA ILE 24 HA ILE 24 -2.873 -4.943 0.414 188 HB ILE 24 HB ILE 24 -1.941 -6.209 3.035 189 HG12 ILE 24 2HG1 ILE 24 -0.359 -5.244 0.621 190 HG13 ILE 24 1HG1 ILE 24 -0.568 -4.338 2.106 191 HG21 ILE 24 1HG2 ILE 24 -1.001 -8.077 1.715 192 HG22 ILE 24 2HG2 ILE 24 -1.756 -7.430 0.257 193 HG23 ILE 24 3HG2 ILE 24 -2.760 -8.014 1.585 194 HD11 ILE 24 3HD1 ILE 24 0.882 -6.962 1.849 195 HD12 ILE 24 1HD1 ILE 24 0.665 -6.040 3.338 196 HD13 ILE 24 2HD1 ILE 24 1.605 -5.365 2.009 197 H GLU 25 H GLU 25 -4.307 -5.746 3.555 198 HA GLU 25 HA GLU 25 -5.759 -7.977 2.531 199 HB2 GLU 25 2HB GLU 25 -5.656 -6.717 5.284 200 HB3 GLU 25 1HB GLU 25 -6.579 -8.182 4.905 201 HG2 GLU 25 2HG GLU 25 -4.477 -9.282 4.166 202 HG3 GLU 25 1HG GLU 25 -3.573 -7.846 4.659 203 H ILE 26 H ILE 26 -6.568 -4.719 3.442 204 HA ILE 26 HA ILE 26 -9.409 -4.919 3.238 205 HB ILE 26 HB ILE 26 -7.574 -2.495 2.901 206 HG12 ILE 26 2HG1 ILE 26 -9.045 -3.257 5.459 207 HG13 ILE 26 1HG1 ILE 26 -7.476 -3.962 5.091 208 HG21 ILE 26 1HG2 ILE 26 -10.539 -2.582 3.598 209 HG22 ILE 26 2HG2 ILE 26 -9.846 -2.005 2.081 210 HG23 ILE 26 3HG2 ILE 26 -9.528 -1.132 3.580 211 HD11 ILE 26 3HD1 ILE 26 -6.466 -1.794 5.034 212 HD12 ILE 26 1HD1 ILE 26 -7.278 -2.082 6.568 213 HD13 ILE 26 2HD1 ILE 26 -8.022 -1.018 5.371 214 H ALA 27 H ALA 27 -6.814 -4.523 0.933 215 HA ALA 27 HA ALA 27 -8.365 -3.653 -1.319 216 HB1 ALA 27 1HB ALA 27 -6.330 -4.199 -2.638 217 HB2 ALA 27 2HB ALA 27 -5.621 -4.964 -1.209 218 HB3 ALA 27 3HB ALA 27 -5.950 -3.230 -1.211 219 H GLN 28 H GLN 28 -6.969 -6.822 -0.329 220 HA GLN 28 HA GLN 28 -8.311 -8.162 -2.524 221 HB2 GLN 28 2HB GLN 28 -7.104 -10.206 -1.792 222 HB3 GLN 28 1HB GLN 28 -6.058 -8.845 -2.131 223 HG2 GLN 28 2HG GLN 28 -5.072 -9.747 -0.262 224 HG3 GLN 28 1HG GLN 28 -6.083 -8.487 0.432 225 HE21 GLN 28 1HE2 GLN 28 -7.871 -9.096 1.667 226 HE22 GLN 28 2HE2 GLN 28 -8.082 -10.706 2.241 227 H SER 29 H SER 29 -9.391 -7.291 0.513 228 HA SER 29 HA SER 29 -11.380 -9.470 0.599 229 HB2 SER 29 2HB SER 29 -12.150 -8.380 2.716 230 HB3 SER 29 1HB SER 29 -10.442 -8.820 2.760 231 HG SER 29 HG SER 29 -11.387 -6.226 2.099 232 H LYS 30 H LYS 30 -11.034 -6.978 -1.347 233 HA LYS 30 HA LYS 30 -12.397 -6.136 -2.932 234 HB2 LYS 30 2HB LYS 30 -14.667 -7.792 -1.753 235 HB3 LYS 30 1HB LYS 30 -14.504 -7.244 -3.416 236 HG2 LYS 30 2HG LYS 30 -12.724 -9.318 -2.078 237 HG3 LYS 30 1HG LYS 30 -14.099 -9.685 -3.122 238 HD2 LYS 30 2HD LYS 30 -12.954 -8.546 -5.012 239 HD3 LYS 30 1HD LYS 30 -11.575 -8.200 -3.960 240 HE2 LYS 30 2HE LYS 30 -11.109 -10.575 -3.708 241 HE3 LYS 30 1HE LYS 30 -12.570 -11.003 -4.601 242 HZ1 LYS 30 3HZ LYS 30 -10.262 -9.523 -5.737 243 HZ2 LYS 30 1HZ LYS 30 -11.633 -10.036 -6.580 244 HZ3 LYS 30 2HZ LYS 30 -10.558 -11.169 -5.946 245 H ASP 31 H ASP 31 -12.033 -4.612 -0.634 246 HA ASP 31 HA ASP 31 -14.604 -3.262 -0.170 247 HB2 ASP 31 2HB ASP 31 -11.864 -2.843 1.094 248 HB3 ASP 31 1HB ASP 31 -13.232 -1.786 1.398 249 H TYR 32 H TYR 32 -15.084 -1.380 -1.011 250 HA TYR 32 HA TYR 32 -13.215 -0.004 -2.843 251 HB2 TYR 32 2HB TYR 32 -16.233 0.388 -2.876 252 HB3 TYR 32 1HB TYR 32 -15.084 0.591 -4.195 253 HD1 TYR 32 2HD TYR 32 -13.664 -1.911 -4.436 254 HD2 TYR 32 1HD TYR 32 -17.772 -1.324 -3.394 255 HE1 TYR 32 2HE TYR 32 -14.174 -4.200 -5.163 256 HE2 TYR 32 1HE TYR 32 -18.282 -3.612 -4.134 257 HH TYR 32 HH TYR 32 -17.377 -5.308 -5.645 258 H GLU 33 H GLU 33 -16.027 0.773 -0.752 259 HA GLU 33 HA GLU 33 -15.233 3.523 -0.390 260 HB2 GLU 33 2HB GLU 33 -17.403 1.855 0.929 261 HB3 GLU 33 1HB GLU 33 -17.209 3.590 1.163 262 HG2 GLU 33 2HG GLU 33 -17.843 2.194 -1.451 263 HG3 GLU 33 1HG GLU 33 -18.977 3.107 -0.452 264 H SER 34 H SER 34 -15.142 0.577 1.593 265 HA SER 34 HA SER 34 -14.222 1.828 3.991 266 HB2 SER 34 2HB SER 34 -13.868 -1.073 3.121 267 HB3 SER 34 1HB SER 34 -13.828 -0.450 4.773 268 HG SER 34 HG SER 34 -15.847 -1.455 4.002 269 H TRP 35 H TRP 35 -12.737 0.746 1.061 270 HA TRP 35 HA TRP 35 -9.992 0.744 2.045 271 HB2 TRP 35 2HB TRP 35 -10.811 -0.955 0.441 272 HB3 TRP 35 1HB TRP 35 -11.163 0.307 -0.731 273 HD1 TRP 35 HD TRP 35 -8.074 -1.255 1.070 274 HE1 TRP 35 1HE TRP 35 -6.091 -1.131 -0.548 275 HE3 TRP 35 3HE TRP 35 -10.285 1.383 -2.710 276 HZ2 TRP 35 2HZ TRP 35 -5.554 -0.061 -3.100 277 HZ3 TRP 35 3HZ TRP 35 -8.966 1.914 -4.710 278 HH2 TRP 35 HH TRP 35 -6.635 1.209 -4.906 279 H LYS 36 H LYS 36 -12.175 2.852 0.226 280 HA LYS 36 HA LYS 36 -10.438 4.887 -0.638 281 HB2 LYS 36 2HB LYS 36 -13.341 4.747 0.182 282 HB3 LYS 36 1HB LYS 36 -12.635 6.357 0.194 283 HG2 LYS 36 2HG LYS 36 -12.079 6.200 -2.144 284 HG3 LYS 36 1HG LYS 36 -12.561 4.507 -2.199 285 HD2 LYS 36 2HD LYS 36 -14.225 5.988 -3.232 286 HD3 LYS 36 1HD LYS 36 -14.890 5.108 -1.862 287 HE2 LYS 36 2HE LYS 36 -13.880 7.929 -1.495 288 HE3 LYS 36 1HE LYS 36 -15.460 7.644 -2.219 289 HZ1 LYS 36 3HZ LYS 36 -16.050 6.343 -0.220 290 HZ2 LYS 36 1HZ LYS 36 -15.737 7.970 0.106 291 HZ3 LYS 36 2HZ LYS 36 -14.582 6.800 0.488 292 H SER 37 H SER 37 -11.987 4.343 2.530 293 HA SER 37 HA SER 37 -11.229 6.651 3.881 294 HB2 SER 37 2HB SER 37 -11.695 3.868 5.026 295 HB3 SER 37 1HB SER 37 -11.748 5.379 5.939 296 HG SER 37 HG SER 37 -13.473 6.033 4.617 297 H ARG 38 H ARG 38 -9.292 3.876 3.064 298 HA ARG 38 HA ARG 38 -7.164 4.199 4.904 299 HB2 ARG 38 2HB ARG 38 -7.342 2.879 2.186 300 HB3 ARG 38 1HB ARG 38 -5.798 2.970 3.027 301 HG2 ARG 38 2HG ARG 38 -8.347 1.606 3.966 302 HG3 ARG 38 1HG ARG 38 -6.870 0.814 3.401 303 HD2 ARG 38 2HD ARG 38 -7.214 2.465 5.936 304 HD3 ARG 38 1HD ARG 38 -6.915 0.743 5.799 305 HE ARG 38 HE ARG 38 -4.726 1.234 4.926 306 HH11 ARG 38 1HH1 ARG 38 -6.265 3.889 6.675 307 HH12 ARG 38 2HH1 ARG 38 -4.761 4.695 6.981 308 HH21 ARG 38 1HH2 ARG 38 -2.816 2.402 5.148 309 HH22 ARG 38 2HH2 ARG 38 -2.792 3.858 6.114 310 H PHE 39 H PHE 39 -7.756 5.534 1.700 311 HA PHE 39 HA PHE 39 -5.268 6.961 1.487 312 HB2 PHE 39 2HB PHE 39 -7.874 7.115 -0.109 313 HB3 PHE 39 1HB PHE 39 -6.442 8.056 -0.499 314 HD1 PHE 39 2HD PHE 39 -7.732 4.592 -0.200 315 HD2 PHE 39 1HD PHE 39 -4.640 7.115 -1.760 316 HE1 PHE 39 2HE PHE 39 -6.855 2.712 -1.513 317 HE2 PHE 39 1HE PHE 39 -3.742 5.207 -3.039 318 HZ PHE 39 HZ PHE 39 -4.871 3.018 -2.928 319 H THR 40 H THR 40 -5.452 9.395 0.862 320 HA THR 40 HA THR 40 -6.427 10.923 3.105 321 HB THR 40 HB THR 40 -5.465 12.832 2.119 322 HG1 THR 40 1HG THR 40 -5.172 13.011 -0.210 323 HG21 THR 40 3HG2 THR 40 -3.355 12.260 1.032 324 HG22 THR 40 1HG2 THR 40 -3.952 10.640 0.670 325 HG23 THR 40 2HG2 THR 40 -3.674 11.129 2.350 326 H LYS 41 H LYS 41 -8.087 12.550 3.029 327 HA LYS 41 HA LYS 41 -10.545 11.737 1.960 328 HB2 LYS 41 2HB LYS 41 -9.594 14.366 3.048 329 HB3 LYS 41 1HB LYS 41 -11.236 14.206 2.445 330 HG2 LYS 41 2HG LYS 41 -11.598 13.787 4.687 331 HG3 LYS 41 1HG LYS 41 -11.297 12.142 4.141 332 HD2 LYS 41 2HD LYS 41 -10.029 12.450 6.162 333 HD3 LYS 41 1HD LYS 41 -8.868 12.459 4.833 334 HE2 LYS 41 2HE LYS 41 -8.846 14.948 4.898 335 HE3 LYS 41 1HE LYS 41 -9.973 14.914 6.252 336 HZ1 LYS 41 3HZ LYS 41 -7.196 13.861 6.234 337 HZ2 LYS 41 1HZ LYS 41 -8.281 13.670 7.513 338 HZ3 LYS 41 2HZ LYS 41 -7.765 15.213 7.071 339 H ASP 42 H ASP 42 -8.087 13.823 0.648 340 HA ASP 42 HA ASP 42 -9.445 14.912 -1.585 341 HB2 ASP 42 2HB ASP 42 -7.355 15.864 -0.746 342 HB3 ASP 42 1HB ASP 42 -6.493 14.362 -1.048 343 H LEU 43 H LEU 43 -7.484 12.013 -1.077 344 HA LEU 43 HA LEU 43 -7.506 11.130 -3.800 345 HB2 LEU 43 2HB LEU 43 -6.730 9.802 -1.216 346 HB3 LEU 43 1HB LEU 43 -6.563 9.014 -2.782 347 HG LEU 43 HG LEU 43 -5.178 11.604 -1.982 348 HD11 LEU 43 1HD1 LEU 43 -3.166 10.247 -1.908 349 HD12 LEU 43 2HD1 LEU 43 -4.123 8.797 -2.240 350 HD13 LEU 43 3HD1 LEU 43 -4.361 9.695 -0.740 351 HD21 LEU 43 3HD2 LEU 43 -5.605 11.410 -4.403 352 HD22 LEU 43 1HD2 LEU 43 -4.772 9.849 -4.401 353 HD23 LEU 43 2HD2 LEU 43 -3.894 11.329 -3.990 354 H GLN 44 H GLN 44 -9.643 10.641 -1.084 355 HA GLN 44 HA GLN 44 -10.917 8.270 -1.961 356 HB2 GLN 44 2HB GLN 44 -11.994 10.523 -0.232 357 HB3 GLN 44 1HB GLN 44 -12.757 8.932 -0.444 358 HG2 GLN 44 2HG GLN 44 -10.805 7.834 0.470 359 HG3 GLN 44 1HG GLN 44 -9.950 9.359 0.584 360 HE21 GLN 44 1HE2 GLN 44 -9.564 9.031 2.732 361 HE22 GLN 44 2HE2 GLN 44 -10.797 9.186 3.906 362 H SER 45 H SER 45 -11.315 11.663 -2.730 363 HA SER 45 HA SER 45 -13.485 11.314 -4.588 364 HB2 SER 45 2HB SER 45 -11.589 13.646 -4.264 365 HB3 SER 45 1HB SER 45 -13.148 13.679 -5.081 366 HG SER 45 HG SER 45 -14.165 13.450 -3.146 367 H SER 46 H SER 46 -9.966 11.114 -4.708 368 HA SER 46 HA SER 46 -9.834 11.486 -7.615 369 HB2 SER 46 2HB SER 46 -7.629 10.988 -5.567 370 HB3 SER 46 1HB SER 46 -7.383 11.378 -7.271 371 HG SER 46 HG SER 46 -8.451 13.005 -5.223 372 H LEU 47 H LEU 47 -10.303 8.850 -5.494 373 HA LEU 47 HA LEU 47 -8.902 6.813 -6.908 374 HB2 LEU 47 2HB LEU 47 -11.302 6.614 -5.087 375 HB3 LEU 47 1HB LEU 47 -10.528 5.224 -5.833 376 HG LEU 47 HG LEU 47 -9.556 6.956 -3.569 377 HD11 LEU 47 1HD1 LEU 47 -8.992 4.790 -2.604 378 HD12 LEU 47 2HD1 LEU 47 -9.520 3.999 -4.096 379 HD13 LEU 47 3HD1 LEU 47 -10.680 4.872 -3.096 380 HD21 LEU 47 3HD2 LEU 47 -7.667 7.107 -5.077 381 HD22 LEU 47 1HD2 LEU 47 -7.679 5.354 -5.319 382 HD23 LEU 47 2HD2 LEU 47 -7.298 6.028 -3.729 383 H THR 48 H THR 48 -9.570 5.490 -8.506 384 HA THR 48 HA THR 48 -11.879 6.382 -10.150 385 HB THR 48 HB THR 48 -10.762 5.078 -11.995 386 HG1 THR 48 1HG THR 48 -8.433 4.588 -11.442 387 HG21 THR 48 3HG2 THR 48 -8.936 7.146 -10.700 388 HG22 THR 48 1HG2 THR 48 -10.292 7.506 -11.776 389 HG23 THR 48 2HG2 THR 48 -8.887 6.631 -12.388 390 H GLU 49 H GLU 49 -13.184 4.684 -11.154 391 HA GLU 49 HA GLU 49 -14.023 2.616 -9.424 392 HB2 GLU 49 2HB GLU 49 -15.409 3.652 -11.239 393 HB3 GLU 49 1HB GLU 49 -14.451 2.795 -12.431 394 HG2 GLU 49 2HG GLU 49 -15.165 0.662 -11.059 395 HG3 GLU 49 1HG GLU 49 -16.437 1.708 -10.439 396 H GLU 50 H GLU 50 -11.787 2.706 -12.146 397 HA GLU 50 HA GLU 50 -11.253 -0.051 -12.340 398 HB2 GLU 50 2HB GLU 50 -10.806 1.845 -14.039 399 HB3 GLU 50 1HB GLU 50 -9.344 2.178 -13.124 400 HG2 GLU 50 2HG GLU 50 -8.690 -0.235 -13.493 401 HG3 GLU 50 1HG GLU 50 -10.062 -0.366 -14.585 402 H SER 51 H SER 51 -10.116 2.423 -10.160 403 HA SER 51 HA SER 51 -7.857 1.004 -9.109 404 HB2 SER 51 2HB SER 51 -8.200 3.465 -8.799 405 HB3 SER 51 1HB SER 51 -9.560 3.125 -7.732 406 HG SER 51 HG SER 51 -8.152 2.171 -6.283 407 H TYR 52 H TYR 52 -11.106 0.212 -9.042 408 HA TYR 52 HA TYR 52 -10.763 -1.609 -6.726 409 HB2 TYR 52 2HB TYR 52 -13.487 -0.800 -7.820 410 HB3 TYR 52 1HB TYR 52 -13.096 -1.484 -6.251 411 HD1 TYR 52 1HD TYR 52 -11.406 0.141 -4.801 412 HD2 TYR 52 2HD TYR 52 -14.139 1.404 -7.830 413 HE1 TYR 52 1HE TYR 52 -11.452 2.400 -3.832 414 HE2 TYR 52 2HE TYR 52 -14.178 3.644 -6.873 415 HH TYR 52 HH TYR 52 -13.742 4.747 -4.779 416 H ASP 53 H ASP 53 -10.099 -1.881 -9.739 417 HA ASP 53 HA ASP 53 -11.476 -4.454 -10.154 418 HB2 ASP 53 2HB ASP 53 -12.862 -2.729 -11.295 419 HB3 ASP 53 1HB ASP 53 -11.482 -2.245 -12.264 420 H SER 54 H SER 54 -9.180 -2.170 -11.617 421 HA SER 54 HA SER 54 -7.876 -3.817 -13.384 422 HB2 SER 54 2HB SER 54 -7.608 -1.328 -13.182 423 HB3 SER 54 1HB SER 54 -6.558 -1.581 -11.793 424 HG SER 54 HG SER 54 -6.080 -1.942 -14.491 425 H TYR 55 H TYR 55 -6.817 -3.102 -10.027 426 HA TYR 55 HA TYR 55 -4.620 -4.898 -10.022 427 HB2 TYR 55 2HB TYR 55 -4.353 -4.324 -7.731 428 HB3 TYR 55 1HB TYR 55 -5.020 -2.881 -8.473 429 HD1 TYR 55 2HD TYR 55 -7.400 -2.212 -7.980 430 HD2 TYR 55 1HD TYR 55 -5.599 -5.547 -6.012 431 HE1 TYR 55 2HE TYR 55 -9.174 -2.187 -6.287 432 HE2 TYR 55 1HE TYR 55 -7.378 -5.532 -4.333 433 HH TYR 55 HH TYR 55 -9.042 -3.893 -3.395 434 H LEU 56 H LEU 56 -8.039 -5.248 -9.299 435 HA LEU 56 HA LEU 56 -7.974 -7.719 -7.961 436 HB2 LEU 56 2HB LEU 56 -10.168 -6.493 -9.657 437 HB3 LEU 56 1HB LEU 56 -10.363 -8.017 -8.813 438 HG LEU 56 HG LEU 56 -9.981 -5.282 -7.542 439 HD11 LEU 56 1HD1 LEU 56 -12.234 -5.677 -8.407 440 HD12 LEU 56 2HD1 LEU 56 -12.227 -5.654 -6.647 441 HD13 LEU 56 3HD1 LEU 56 -12.335 -7.193 -7.504 442 HD21 LEU 56 3HD2 LEU 56 -8.786 -6.949 -6.208 443 HD22 LEU 56 1HD2 LEU 56 -10.215 -7.989 -6.180 444 HD23 LEU 56 2HD2 LEU 56 -10.241 -6.417 -5.372 445 H LYS 57 H LYS 57 -7.975 -6.936 -11.445 446 HA LYS 57 HA LYS 57 -8.657 -9.416 -12.498 447 HB2 LYS 57 2HB LYS 57 -6.683 -7.466 -13.690 448 HB3 LYS 57 1HB LYS 57 -7.576 -8.706 -14.548 449 HG2 LYS 57 2HG LYS 57 -8.759 -6.260 -13.224 450 HG3 LYS 57 1HG LYS 57 -8.505 -6.495 -14.939 451 HD2 LYS 57 2HD LYS 57 -10.791 -6.891 -14.738 452 HD3 LYS 57 1HD LYS 57 -10.149 -8.530 -14.685 453 HE2 LYS 57 2HE LYS 57 -10.581 -8.738 -12.359 454 HE3 LYS 57 1HE LYS 57 -10.676 -6.984 -12.138 455 HZ1 LYS 57 3HZ LYS 57 -12.678 -8.605 -13.624 456 HZ2 LYS 57 1HZ LYS 57 -12.760 -6.944 -13.303 457 HZ3 LYS 57 2HZ LYS 57 -12.848 -8.057 -12.037 458 H ILE 58 H ILE 58 -5.528 -8.201 -11.437 459 HA ILE 58 HA ILE 58 -3.948 -10.486 -12.034 460 HB ILE 58 HB ILE 58 -3.550 -8.329 -9.891 461 HG12 ILE 58 2HG1 ILE 58 -1.641 -7.606 -11.544 462 HG13 ILE 58 1HG1 ILE 58 -2.502 -8.573 -12.732 463 HG21 ILE 58 1HG2 ILE 58 -1.550 -10.424 -10.792 464 HG22 ILE 58 2HG2 ILE 58 -2.321 -10.315 -9.210 465 HG23 ILE 58 3HG2 ILE 58 -1.192 -9.062 -9.726 466 HD11 ILE 58 3HD1 ILE 58 -3.055 -6.221 -12.903 467 HD12 ILE 58 1HD1 ILE 58 -3.617 -6.215 -11.230 468 HD13 ILE 58 2HD1 ILE 58 -4.470 -7.168 -12.447 469 H LEU 59 H LEU 59 -5.609 -9.318 -9.136 470 HA LEU 59 HA LEU 59 -4.878 -11.166 -7.220 471 HB2 LEU 59 2HB LEU 59 -6.293 -8.955 -7.141 472 HB3 LEU 59 1HB LEU 59 -7.647 -10.004 -7.277 473 HG LEU 59 HG LEU 59 -6.627 -11.249 -5.202 474 HD11 LEU 59 1HD1 LEU 59 -4.472 -10.100 -5.220 475 HD12 LEU 59 2HD1 LEU 59 -5.334 -9.823 -3.708 476 HD13 LEU 59 3HD1 LEU 59 -5.279 -8.553 -4.934 477 HD21 LEU 59 3HD2 LEU 59 -7.850 -9.788 -3.685 478 HD22 LEU 59 1HD2 LEU 59 -8.754 -10.062 -5.170 479 HD23 LEU 59 2HD2 LEU 59 -7.916 -8.528 -4.917 480 H GLU 60 H GLU 60 -7.387 -11.404 -9.631 481 HA GLU 60 HA GLU 60 -9.099 -13.244 -8.555 482 HB2 GLU 60 2HB GLU 60 -8.366 -12.706 -11.439 483 HB3 GLU 60 1HB GLU 60 -9.745 -13.646 -10.943 484 HG2 GLU 60 2HG GLU 60 -9.295 -10.712 -10.648 485 HG3 GLU 60 1HG GLU 60 -10.590 -11.561 -11.444 486 H LYS 61 H LYS 61 -6.136 -13.708 -10.349 487 HA LYS 61 HA LYS 61 -6.404 -16.657 -10.315 488 HB2 LYS 61 2HB LYS 61 -4.449 -16.627 -11.917 489 HB3 LYS 61 1HB LYS 61 -5.930 -15.899 -12.528 490 HG2 LYS 61 2HG LYS 61 -5.036 -13.661 -12.053 491 HG3 LYS 61 1HG LYS 61 -3.560 -14.380 -11.416 492 HD2 LYS 61 2HD LYS 61 -3.331 -13.507 -13.755 493 HD3 LYS 61 1HD LYS 61 -2.940 -15.222 -13.600 494 HE2 LYS 61 2HE LYS 61 -4.301 -14.670 -15.633 495 HE3 LYS 61 1HE LYS 61 -5.067 -15.854 -14.578 496 HZ1 LYS 61 3HZ LYS 61 -6.581 -14.113 -15.439 497 HZ2 LYS 61 1HZ LYS 61 -5.720 -12.954 -14.560 498 HZ3 LYS 61 2HZ LYS 61 -6.544 -14.191 -13.755 499 H GLN 62 H GLN 62 -4.999 -14.161 -8.570 500 HA GLN 62 HA GLN 62 -2.536 -15.362 -7.796 501 HB2 GLN 62 2HB GLN 62 -4.230 -13.252 -6.406 502 HB3 GLN 62 1HB GLN 62 -2.644 -13.720 -5.912 503 HG2 GLN 62 2HG GLN 62 -3.413 -12.280 -8.392 504 HG3 GLN 62 1HG GLN 62 -2.452 -11.672 -7.061 505 HE21 GLN 62 1HE2 GLN 62 -2.487 -13.499 -9.967 506 HE22 GLN 62 2HE2 GLN 62 -0.798 -13.761 -10.072 507 H GLY 63 H GLY 63 -5.846 -15.793 -6.761 508 HA2 GLY 63 2HA GLY 63 -6.613 -17.386 -5.190 509 HA3 GLY 63 1HA GLY 63 -4.998 -17.522 -4.533 510 H GLU 64 H GLU 64 -5.645 -17.130 -2.406 511 HA GLU 64 HA GLU 64 -6.395 -14.328 -1.758 512 HB2 GLU 64 2HB GLU 64 -7.954 -16.049 -0.869 513 HB3 GLU 64 1HB GLU 64 -6.625 -16.848 -0.040 514 HG2 GLU 64 2HG GLU 64 -6.308 -14.693 1.274 515 HG3 GLU 64 1HG GLU 64 -7.806 -14.114 0.546 516 H PHE 65 H PHE 65 -5.237 -13.312 -0.044 517 HA PHE 65 HA PHE 65 -2.448 -13.552 0.054 518 HB2 PHE 65 2HB PHE 65 -3.211 -11.462 0.806 519 HB3 PHE 65 1HB PHE 65 -4.528 -12.155 1.704 520 HD1 PHE 65 2HD PHE 65 -0.766 -11.971 1.815 521 HD2 PHE 65 1HD PHE 65 -4.415 -12.188 4.051 522 HE1 PHE 65 2HE PHE 65 0.485 -11.854 3.912 523 HE2 PHE 65 1HE PHE 65 -3.138 -12.053 6.143 524 HZ PHE 65 HZ PHE 65 -0.682 -11.890 6.076 525 H LYS 66 H LYS 66 -1.186 -15.027 0.999 526 HA LYS 66 HA LYS 66 -2.281 -16.797 3.114 527 HB2 LYS 66 2HB LYS 66 -0.138 -17.439 1.043 528 HB3 LYS 66 1HB LYS 66 -0.717 -18.537 2.290 529 HG2 LYS 66 2HG LYS 66 -2.311 -17.447 -0.044 530 HG3 LYS 66 1HG LYS 66 -1.700 -19.094 0.137 531 HD2 LYS 66 2HD LYS 66 -3.757 -17.773 1.953 532 HD3 LYS 66 1HD LYS 66 -4.129 -18.895 0.645 533 HE2 LYS 66 2HE LYS 66 -2.805 -20.657 1.819 534 HE3 LYS 66 1HE LYS 66 -2.532 -19.530 3.153 535 HZ1 LYS 66 3HZ LYS 66 -5.211 -20.426 2.229 536 HZ2 LYS 66 1HZ LYS 66 -4.876 -19.475 3.582 537 HZ3 LYS 66 2HZ LYS 66 -4.381 -21.088 3.542 538 H GLU 67 H GLU 67 0.410 -14.781 2.103 539 HA GLU 67 HA GLU 67 1.666 -14.756 4.707 540 HB2 GLU 67 2HB GLU 67 2.341 -16.977 3.832 541 HB3 GLU 67 1HB GLU 67 2.933 -16.238 2.358 542 HG2 GLU 67 2HG GLU 67 4.810 -16.774 3.641 543 HG3 GLU 67 1HG GLU 67 4.649 -15.039 3.745 544 H PHE 68 H PHE 68 3.678 -13.393 4.665 545 HA PHE 68 HA PHE 68 3.864 -11.514 2.375 546 HB2 PHE 68 2HB PHE 68 4.783 -11.222 5.275 547 HB3 PHE 68 1HB PHE 68 5.081 -10.031 4.016 548 HD1 PHE 68 2HD PHE 68 2.633 -9.706 2.605 549 HD2 PHE 68 1HD PHE 68 3.169 -10.380 6.790 550 HE1 PHE 68 2HE PHE 68 0.476 -8.640 3.048 551 HE2 PHE 68 1HE PHE 68 1.007 -9.296 7.234 552 HZ PHE 68 HZ PHE 68 -0.345 -8.417 5.366 553 H GLY 69 H GLY 69 5.979 -11.088 1.468 554 HA2 GLY 69 2HA GLY 69 7.916 -13.253 1.764 555 HA3 GLY 69 1HA GLY 69 7.885 -12.019 0.542 556 H LYS 70 H LYS 70 9.120 -10.290 0.742 557 HA LYS 70 HA LYS 70 10.581 -9.766 3.281 558 HB2 LYS 70 2HB LYS 70 11.551 -9.876 0.405 559 HB3 LYS 70 1HB LYS 70 12.328 -8.755 1.514 560 HG2 LYS 70 2HG LYS 70 13.628 -10.788 1.364 561 HG3 LYS 70 1HG LYS 70 12.955 -10.640 2.989 562 HD2 LYS 70 2HD LYS 70 11.258 -12.308 2.488 563 HD3 LYS 70 1HD LYS 70 11.755 -12.378 0.797 564 HE2 LYS 70 2HE LYS 70 13.965 -13.283 1.517 565 HE3 LYS 70 1HE LYS 70 13.409 -13.256 3.194 566 HZ1 LYS 70 3HZ LYS 70 11.655 -14.811 2.586 567 HZ2 LYS 70 1HZ LYS 70 13.174 -15.449 2.219 568 HZ3 LYS 70 2HZ LYS 70 12.199 -14.834 0.986 569 H CYS 71 H CYS 71 11.151 -7.571 3.604 570 HA CYS 71 HA CYS 71 9.287 -5.648 2.365 571 HB2 CYS 71 2HB CYS 71 9.149 -4.686 4.699 572 HB3 CYS 71 1HB CYS 71 8.347 -6.211 4.459 573 HG CYS 71 HG CYS 71 11.491 -6.515 5.553 574 H THR 72 H THR 72 10.144 -3.870 1.686 575 HA THR 72 HA THR 72 12.715 -2.779 2.729 576 HB THR 72 HB THR 72 11.770 -2.752 -0.177 577 HG1 THR 72 1HG THR 72 12.673 -4.785 0.632 578 HG21 THR 72 3HG2 THR 72 14.329 -1.628 1.028 579 HG22 THR 72 1HG2 THR 72 13.006 -0.693 0.306 580 HG23 THR 72 2HG2 THR 72 13.995 -1.755 -0.700 581 H TYR 73 H TYR 73 12.523 -0.569 3.227 582 HA TYR 73 HA TYR 73 9.871 0.623 2.860 583 HB2 TYR 73 2HB TYR 73 12.134 1.695 4.583 584 HB3 TYR 73 1HB TYR 73 10.492 2.239 4.537 585 HD1 TYR 73 2HD TYR 73 8.647 0.805 5.329 586 HD2 TYR 73 1HD TYR 73 12.729 -0.277 5.954 587 HE1 TYR 73 2HE TYR 73 7.956 -0.799 7.066 588 HE2 TYR 73 1HE TYR 73 12.040 -1.893 7.678 589 HH TYR 73 HH TYR 73 10.052 -2.216 9.247 590 H LEU 74 H LEU 74 9.501 2.473 1.893 591 HA LEU 74 HA LEU 74 11.464 3.612 0.016 592 HB2 LEU 74 2HB LEU 74 8.438 3.966 0.186 593 HB3 LEU 74 1HB LEU 74 9.464 4.674 -1.035 594 HG LEU 74 HG LEU 74 8.216 2.838 -1.935 595 HD11 LEU 74 1HD1 LEU 74 11.122 2.018 -1.728 596 HD12 LEU 74 2HD1 LEU 74 10.466 3.217 -2.854 597 HD13 LEU 74 3HD1 LEU 74 9.969 1.529 -2.982 598 HD21 LEU 74 3HD2 LEU 74 9.520 0.983 0.028 599 HD22 LEU 74 1HD2 LEU 74 8.420 0.538 -1.279 600 HD23 LEU 74 2HD2 LEU 74 7.842 1.522 0.059 601 H GLY 75 H GLY 75 11.322 5.995 -0.256 602 HA2 GLY 75 2HA GLY 75 10.017 7.572 1.810 603 HA3 GLY 75 1HA GLY 75 11.780 7.632 1.801 604 H GLN 76 H GLN 76 10.008 9.801 1.337 605 HA GLN 76 HA GLN 76 10.909 10.859 -1.154 606 HB2 GLN 76 2HB GLN 76 8.263 11.175 -1.793 607 HB3 GLN 76 1HB GLN 76 9.214 9.825 -2.397 608 HG2 GLN 76 2HG GLN 76 8.279 8.355 -0.753 609 HG3 GLN 76 1HG GLN 76 7.556 9.690 0.122 610 HE21 GLN 76 1HE2 GLN 76 6.113 7.473 -0.587 611 HE22 GLN 76 2HE2 GLN 76 4.925 7.904 -1.765 612 H ILE 77 H ILE 77 10.626 13.111 -1.212 613 HA ILE 77 HA ILE 77 8.787 14.376 0.760 614 HB ILE 77 HB ILE 77 11.441 15.604 -0.172 615 HG12 ILE 77 2HG1 ILE 77 11.913 15.560 2.431 616 HG13 ILE 77 1HG1 ILE 77 10.699 14.287 2.464 617 HG21 ILE 77 1HG2 ILE 77 9.699 17.302 0.135 618 HG22 ILE 77 2HG2 ILE 77 10.915 17.446 1.402 619 HG23 ILE 77 3HG2 ILE 77 9.357 16.697 1.761 620 HD11 ILE 77 3HD1 ILE 77 12.079 12.975 0.899 621 HD12 ILE 77 1HD1 ILE 77 12.913 13.359 2.405 622 HD13 ILE 77 2HD1 ILE 77 13.294 14.258 0.939 623 H LYS 78 H LYS 78 7.323 15.640 -0.189 624 HA LYS 78 HA LYS 78 7.332 16.188 -3.046 625 HB2 LYS 78 2HB LYS 78 5.364 16.724 -0.796 626 HB3 LYS 78 1HB LYS 78 5.112 17.287 -2.431 627 HG2 LYS 78 2HG LYS 78 5.337 14.764 -3.087 628 HG3 LYS 78 1HG LYS 78 5.012 14.480 -1.373 629 HD2 LYS 78 2HD LYS 78 3.221 15.741 -3.463 630 HD3 LYS 78 1HD LYS 78 2.852 14.414 -2.362 631 HE2 LYS 78 2HE LYS 78 2.817 16.023 -0.465 632 HE3 LYS 78 1HE LYS 78 3.192 17.346 -1.575 633 HZ1 LYS 78 3HZ LYS 78 0.834 17.235 -1.084 634 HZ2 LYS 78 1HZ LYS 78 0.751 15.649 -1.654 635 HZ3 LYS 78 2HZ LYS 78 1.108 16.909 -2.718 636 H ASP 79 H ASP 79 5.795 18.773 -2.490 637 HA ASP 79 HA ASP 79 7.697 20.750 -2.717 638 HB2 ASP 79 2HB ASP 79 5.297 21.062 -3.198 639 HB3 ASP 79 1HB ASP 79 4.914 20.920 -1.494 640 H ASN 80 H ASN 80 5.933 19.796 0.261 641 HA ASN 80 HA ASN 80 8.209 20.659 1.888 642 HB2 ASN 80 2HB ASN 80 7.066 22.228 3.201 643 HB3 ASN 80 1HB ASN 80 6.625 22.618 1.551 644 HD21 ASN 80 1HD2 ASN 80 5.301 23.200 4.087 645 HD22 ASN 80 2HD2 ASN 80 3.717 22.553 3.934 646 H LYS 81 H LYS 81 6.062 18.276 1.338 647 HA LYS 81 HA LYS 81 5.869 17.506 4.193 648 HB2 LYS 81 2HB LYS 81 3.935 17.229 1.895 649 HB3 LYS 81 1HB LYS 81 3.942 15.976 3.119 650 HG2 LYS 81 2HG LYS 81 3.418 18.929 3.591 651 HG3 LYS 81 1HG LYS 81 2.222 17.623 3.602 652 HD2 LYS 81 2HD LYS 81 3.524 16.579 5.529 653 HD3 LYS 81 1HD LYS 81 4.498 18.048 5.579 654 HE2 LYS 81 2HE LYS 81 2.478 19.366 6.079 655 HE3 LYS 81 1HE LYS 81 1.497 17.899 6.014 656 HZ1 LYS 81 3HZ LYS 81 3.687 18.453 7.941 657 HZ2 LYS 81 1HZ LYS 81 2.814 17.012 7.870 658 HZ3 LYS 81 2HZ LYS 81 2.038 18.454 8.284 659 H LYS 82 H LYS 82 6.603 15.584 4.799 660 HA LYS 82 HA LYS 82 8.203 14.001 2.939 661 HB2 LYS 82 2HB LYS 82 7.945 13.920 5.975 662 HB3 LYS 82 1HB LYS 82 8.814 12.698 5.069 663 HG2 LYS 82 2HG LYS 82 10.547 14.032 5.725 664 HG3 LYS 82 1HG LYS 82 10.199 14.724 4.157 665 HD2 LYS 82 2HD LYS 82 8.835 15.945 6.547 666 HD3 LYS 82 1HD LYS 82 10.562 16.232 6.362 667 HE2 LYS 82 2HE LYS 82 10.187 17.218 4.157 668 HE3 LYS 82 1HE LYS 82 8.460 16.878 4.276 669 HZ1 LYS 82 3HZ LYS 82 8.969 19.171 4.833 670 HZ2 LYS 82 1HZ LYS 82 9.992 18.667 6.080 671 HZ3 LYS 82 2HZ LYS 82 8.334 18.362 6.173 672 H TYR 83 H TYR 83 7.911 11.781 2.739 673 HA TYR 83 HA TYR 83 5.387 10.496 3.464 674 HB2 TYR 83 2HB TYR 83 6.376 10.959 0.604 675 HB3 TYR 83 1HB TYR 83 5.173 9.760 0.978 676 HD1 TYR 83 1HD TYR 83 5.857 13.428 1.056 677 HD2 TYR 83 2HD TYR 83 2.886 10.386 1.175 678 HE1 TYR 83 1HE TYR 83 4.127 15.136 0.975 679 HE2 TYR 83 2HE TYR 83 1.133 12.101 1.064 680 HH TYR 83 HH TYR 83 0.922 14.546 1.748 681 H GLY 84 H GLY 84 5.515 8.186 3.238 682 HA2 GLY 84 2HA GLY 84 8.200 6.981 2.891 683 HA3 GLY 84 1HA GLY 84 7.383 6.815 4.445 684 H GLY 85 H GLY 85 8.122 4.645 2.677 685 HA2 GLY 85 2HA GLY 85 5.445 3.479 2.194 686 HA3 GLY 85 1HA GLY 85 6.633 3.492 0.896 687 H VAL 86 H VAL 86 5.739 1.108 1.440 688 HA VAL 86 HA VAL 86 8.237 -0.171 2.056 689 HB VAL 86 HB VAL 86 7.394 -0.308 4.278 690 HG11 VAL 86 1HG1 VAL 86 4.819 -1.468 3.193 691 HG12 VAL 86 2HG1 VAL 86 5.032 0.140 3.888 692 HG13 VAL 86 3HG1 VAL 86 5.229 -1.288 4.903 693 HG21 VAL 86 3HG2 VAL 86 6.938 -3.006 2.965 694 HG22 VAL 86 1HG2 VAL 86 7.266 -2.733 4.680 695 HG23 VAL 86 2HG2 VAL 86 8.500 -2.355 3.475 696 H ILE 87 H ILE 87 8.566 -1.335 0.316 697 HA ILE 87 HA ILE 87 6.618 -2.802 -1.200 698 HB ILE 87 HB ILE 87 9.668 -3.055 -1.159 699 HG12 ILE 87 2HG1 ILE 87 7.951 -1.679 -3.256 700 HG13 ILE 87 1HG1 ILE 87 8.730 -0.829 -1.947 701 HG21 ILE 87 1HG2 ILE 87 9.437 -4.269 -3.312 702 HG22 ILE 87 2HG2 ILE 87 7.679 -4.209 -3.156 703 HG23 ILE 87 3HG2 ILE 87 8.638 -5.128 -1.992 704 HD11 ILE 87 3HD1 ILE 87 10.912 -1.508 -2.785 705 HD12 ILE 87 1HD1 ILE 87 9.984 -0.644 -4.007 706 HD13 ILE 87 2HD1 ILE 87 10.137 -2.398 -4.100 707 H ILE 88 H ILE 88 5.578 -4.103 0.305 708 HA ILE 88 HA ILE 88 7.178 -6.293 1.476 709 HB ILE 88 HB ILE 88 6.224 -5.001 3.265 710 HG12 ILE 88 2HG1 ILE 88 4.512 -7.502 2.948 711 HG13 ILE 88 1HG1 ILE 88 6.201 -7.510 3.444 712 HG21 ILE 88 1HG2 ILE 88 3.502 -5.279 1.952 713 HG22 ILE 88 2HG2 ILE 88 4.444 -3.795 2.124 714 HG23 ILE 88 3HG2 ILE 88 3.795 -4.596 3.557 715 HD11 ILE 88 3HD1 ILE 88 5.612 -6.216 5.445 716 HD12 ILE 88 1HD1 ILE 88 4.743 -7.746 5.351 717 HD13 ILE 88 2HD1 ILE 88 3.916 -6.241 4.955 718 H VAL 89 H VAL 89 7.107 -7.732 -0.060 719 HA VAL 89 HA VAL 89 4.981 -8.163 -1.882 720 HB VAL 89 HB VAL 89 7.296 -8.723 -2.390 721 HG11 VAL 89 1HG1 VAL 89 8.456 -10.604 -1.619 722 HG12 VAL 89 2HG1 VAL 89 7.113 -10.979 -0.539 723 HG13 VAL 89 3HG1 VAL 89 8.037 -9.493 -0.314 724 HG21 VAL 89 3HG2 VAL 89 5.520 -9.843 -3.723 725 HG22 VAL 89 1HG2 VAL 89 5.619 -11.230 -2.628 726 HG23 VAL 89 2HG2 VAL 89 7.004 -10.791 -3.639 727 H VAL 90 H VAL 90 3.716 -10.097 -2.121 728 HA VAL 90 HA VAL 90 2.801 -11.200 0.451 729 HB VAL 90 HB VAL 90 1.211 -9.743 -1.706 730 HG11 VAL 90 1HG1 VAL 90 0.011 -11.435 0.504 731 HG12 VAL 90 2HG1 VAL 90 0.029 -11.875 -1.213 732 HG13 VAL 90 3HG1 VAL 90 -0.850 -10.441 -0.678 733 HG21 VAL 90 3HG2 VAL 90 2.137 -8.468 0.210 734 HG22 VAL 90 1HG2 VAL 90 1.247 -9.544 1.301 735 HG23 VAL 90 2HG2 VAL 90 0.368 -8.479 0.190 736 H LYS 91 H LYS 91 2.985 -13.239 0.374 737 HA LYS 91 HA LYS 91 3.080 -14.793 -2.068 738 HB2 LYS 91 2HB LYS 91 3.127 -15.675 0.846 739 HB3 LYS 91 1HB LYS 91 3.443 -16.717 -0.541 740 HG2 LYS 91 2HG LYS 91 5.417 -15.303 -1.111 741 HG3 LYS 91 1HG LYS 91 5.116 -14.336 0.338 742 HD2 LYS 91 2HD LYS 91 5.522 -16.295 1.759 743 HD3 LYS 91 1HD LYS 91 5.709 -17.324 0.336 744 HE2 LYS 91 2HE LYS 91 7.517 -15.003 1.090 745 HE3 LYS 91 1HE LYS 91 7.891 -16.712 1.318 746 HZ1 LYS 91 3HZ LYS 91 8.934 -15.810 -0.669 747 HZ2 LYS 91 1HZ LYS 91 7.426 -15.390 -1.306 748 HZ3 LYS 91 2HZ LYS 91 7.821 -17.019 -1.077 749 H TYR 92 H TYR 92 1.059 -14.460 -2.934 750 HA TYR 92 HA TYR 92 -1.380 -15.408 -1.726 751 HB2 TYR 92 2HB TYR 92 -0.592 -14.807 -4.612 752 HB3 TYR 92 1HB TYR 92 -2.204 -15.329 -4.145 753 HD1 TYR 92 1HD TYR 92 -3.528 -13.899 -2.547 754 HD2 TYR 92 2HD TYR 92 -0.008 -12.471 -4.467 755 HE1 TYR 92 1HE TYR 92 -4.227 -11.621 -2.057 756 HE2 TYR 92 2HE TYR 92 -0.707 -10.149 -3.982 757 HH TYR 92 HH TYR 92 -3.239 -9.425 -1.820 758 H GLU 93 H GLU 93 -2.625 -17.238 -2.943 759 HA GLU 93 HA GLU 93 -1.470 -19.710 -2.580 760 HB2 GLU 93 2HB GLU 93 -3.924 -19.206 -2.767 761 HB3 GLU 93 1HB GLU 93 -3.718 -19.074 -4.511 762 HG2 GLU 93 2HG GLU 93 -2.995 -21.408 -4.628 763 HG3 GLU 93 1HG GLU 93 -3.127 -21.551 -2.877 764 H GLU 94 H GLU 94 -1.984 -18.070 -5.624 765 HA GLU 94 HA GLU 94 -0.184 -19.911 -7.060 766 HB2 GLU 94 2HB GLU 94 -2.688 -18.478 -8.040 767 HB3 GLU 94 1HB GLU 94 -1.722 -19.624 -8.961 768 HG2 GLU 94 2HG GLU 94 -2.609 -20.813 -6.435 769 HG3 GLU 94 1HG GLU 94 -3.973 -20.192 -7.324 770 H GLY 95 H GLY 95 0.068 -16.953 -5.813 771 HA2 GLY 95 2HA GLY 95 1.931 -16.138 -7.892 772 HA3 GLY 95 1HA GLY 95 0.577 -15.037 -7.668 773 H ASN 96 H ASN 96 3.119 -14.139 -7.307 774 HA ASN 96 HA ASN 96 2.967 -13.336 -4.453 775 HB2 ASN 96 2HB ASN 96 5.532 -13.406 -6.093 776 HB3 ASN 96 1HB ASN 96 5.382 -12.946 -4.407 777 HD21 ASN 96 1HD2 ASN 96 5.120 -14.548 -2.859 778 HD22 ASN 96 2HD2 ASN 96 5.427 -16.197 -3.220 779 H VAL 97 H VAL 97 2.740 -11.160 -4.230 780 HA VAL 97 HA VAL 97 3.324 -9.440 -6.562 781 HB VAL 97 HB VAL 97 0.799 -9.309 -4.846 782 HG11 VAL 97 1HG1 VAL 97 0.090 -7.453 -6.311 783 HG12 VAL 97 2HG1 VAL 97 1.666 -7.490 -7.106 784 HG13 VAL 97 3HG1 VAL 97 1.548 -7.061 -5.398 785 HG21 VAL 97 3HG2 VAL 97 1.082 -9.958 -7.804 786 HG22 VAL 97 1HG2 VAL 97 -0.443 -9.797 -6.926 787 HG23 VAL 97 2HG2 VAL 97 0.671 -11.106 -6.526 788 H ASN 98 H ASN 98 4.658 -7.855 -6.004 789 HA ASN 98 HA ASN 98 5.385 -7.281 -3.272 790 HB2 ASN 98 2HB ASN 98 6.278 -6.048 -5.915 791 HB3 ASN 98 1HB ASN 98 6.919 -5.545 -4.360 792 HD21 ASN 98 1HD2 ASN 98 6.736 -8.163 -6.672 793 HD22 ASN 98 2HD2 ASN 98 8.112 -9.020 -6.089 794 H TYR 99 H TYR 99 3.613 -6.397 -2.275 795 HA TYR 99 HA TYR 99 2.177 -4.117 -3.243 796 HB2 TYR 99 2HB TYR 99 2.280 -5.762 -0.749 797 HB3 TYR 99 1HB TYR 99 1.653 -4.138 -0.574 798 HD1 TYR 99 2HD TYR 99 -0.433 -3.475 -1.628 799 HD2 TYR 99 1HD TYR 99 0.989 -7.476 -2.009 800 HE1 TYR 99 2HE TYR 99 -2.678 -4.219 -2.270 801 HE2 TYR 99 1HE TYR 99 -1.242 -8.200 -2.669 802 HH TYR 99 HH TYR 99 -3.729 -6.067 -3.513 803 H SER 100 H SER 100 3.616 -2.418 -3.709 804 HA SER 100 HA SER 100 5.199 -1.257 -1.537 805 HB2 SER 100 2HB SER 100 6.067 -1.217 -3.897 806 HB3 SER 100 1HB SER 100 4.727 -0.194 -4.355 807 HG SER 100 HG SER 100 5.529 1.441 -3.161 808 H LEU 101 H LEU 101 3.771 -0.497 -0.007 809 HA LEU 101 HA LEU 101 1.643 1.389 -0.877 810 HB2 LEU 101 2HB LEU 101 2.007 -0.070 1.759 811 HB3 LEU 101 1HB LEU 101 0.806 1.166 1.516 812 HG LEU 101 HG LEU 101 -0.549 -0.596 1.075 813 HD11 LEU 101 1HD1 LEU 101 -0.549 0.547 -0.990 814 HD12 LEU 101 2HD1 LEU 101 -0.822 -1.174 -1.213 815 HD13 LEU 101 3HD1 LEU 101 0.753 -0.479 -1.605 816 HD21 LEU 101 3HD2 LEU 101 1.057 -2.303 1.723 817 HD22 LEU 101 1HD2 LEU 101 1.801 -2.234 0.125 818 HD23 LEU 101 2HD2 LEU 101 0.145 -2.826 0.310 819 H ALA 102 H ALA 102 1.832 3.462 -0.519 820 HA ALA 102 HA ALA 102 3.864 4.492 1.370 821 HB1 ALA 102 1HB ALA 102 4.978 4.397 -0.821 822 HB2 ALA 102 2HB ALA 102 4.732 6.067 -0.312 823 HB3 ALA 102 3HB ALA 102 3.682 5.355 -1.539 824 H TYR 103 H TYR 103 3.359 6.466 2.236 825 HA TYR 103 HA TYR 103 0.639 7.488 1.918 826 HB2 TYR 103 2HB TYR 103 1.014 7.011 4.754 827 HB3 TYR 103 1HB TYR 103 -0.170 6.322 3.680 828 HD1 TYR 103 2HD TYR 103 3.329 5.783 4.860 829 HD2 TYR 103 1HD TYR 103 -0.243 4.003 3.321 830 HE1 TYR 103 2HE TYR 103 4.308 3.556 5.148 831 HE2 TYR 103 1HE TYR 103 0.746 1.773 3.606 832 HH TYR 103 HH TYR 103 3.581 1.248 5.385 833 H ASP 104 H ASP 104 0.353 9.334 3.612 834 HA ASP 104 HA ASP 104 2.749 11.000 3.705 835 HB2 ASP 104 2HB ASP 104 1.275 12.744 4.540 836 HB3 ASP 104 1HB ASP 104 0.549 11.990 3.135 837 H GLU 105 H GLU 105 2.694 12.366 5.973 838 HA GLU 105 HA GLU 105 3.856 10.755 7.961 839 HB2 GLU 105 2HB GLU 105 2.738 13.575 8.037 840 HB3 GLU 105 1HB GLU 105 3.627 12.863 9.380 841 HG2 GLU 105 2HG GLU 105 5.659 12.939 8.273 842 HG3 GLU 105 1HG GLU 105 4.933 12.872 6.673 843 H ASP 106 H ASP 106 0.545 11.908 7.517 844 HA ASP 106 HA ASP 106 -0.397 10.845 10.058 845 HB2 ASP 106 2HB ASP 106 -1.313 12.938 8.983 846 HB3 ASP 106 1HB ASP 106 -2.002 11.936 7.713 847 H MET 107 H MET 107 0.378 9.503 7.081 848 HA MET 107 HA MET 107 0.624 7.333 6.575 849 HB2 MET 107 2HB MET 107 -0.726 6.741 9.239 850 HB3 MET 107 1HB MET 107 0.109 5.551 8.243 851 HG2 MET 107 2HG MET 107 2.210 6.907 8.483 852 HG3 MET 107 1HG MET 107 1.358 7.960 9.608 853 HE1 MET 107 3HE MET 107 2.438 3.550 10.370 854 HE2 MET 107 1HE MET 107 2.911 4.473 8.943 855 HE3 MET 107 2HE MET 107 1.221 4.023 9.185 856 H ASN 108 H ASN 108 -1.808 8.898 5.961 857 HA ASN 108 HA ASN 108 -3.797 6.895 5.201 858 HB2 ASN 108 2HB ASN 108 -3.696 9.716 4.045 859 HB3 ASN 108 1HB ASN 108 -5.097 8.702 4.345 860 HD21 ASN 108 1HD2 ASN 108 -2.934 11.020 5.618 861 HD22 ASN 108 2HD2 ASN 108 -3.710 11.244 7.122 862 H LEU 109 H LEU 109 -3.815 5.933 3.139 863 HA LEU 109 HA LEU 109 -1.402 5.763 1.782 864 HB2 LEU 109 2HB LEU 109 -4.029 4.561 1.471 865 HB3 LEU 109 1HB LEU 109 -3.335 4.898 -0.118 866 HG LEU 109 HG LEU 109 -2.143 3.141 2.066 867 HD11 LEU 109 1HD1 LEU 109 -2.913 2.616 -0.779 868 HD12 LEU 109 2HD1 LEU 109 -3.808 2.099 0.651 869 HD13 LEU 109 3HD1 LEU 109 -2.194 1.456 0.341 870 HD21 LEU 109 3HD2 LEU 109 -0.330 4.450 1.125 871 HD22 LEU 109 1HD2 LEU 109 -0.855 4.050 -0.518 872 HD23 LEU 109 2HD2 LEU 109 -0.235 2.786 0.562 873 H VAL 110 H VAL 110 -0.667 6.467 -0.076 874 HA VAL 110 HA VAL 110 -1.920 8.753 -1.411 875 HB VAL 110 HB VAL 110 0.076 9.057 0.507 876 HG11 VAL 110 1HG1 VAL 110 1.568 9.086 -2.124 877 HG12 VAL 110 2HG1 VAL 110 1.794 7.937 -0.802 878 HG13 VAL 110 3HG1 VAL 110 2.190 9.642 -0.568 879 HG21 VAL 110 3HG2 VAL 110 0.363 11.329 -0.326 880 HG22 VAL 110 1HG2 VAL 110 -1.328 10.836 -0.326 881 HG23 VAL 110 2HG2 VAL 110 -0.423 10.890 -1.842 882 H SER 111 H SER 111 -0.198 5.841 -1.483 883 HA SER 111 HA SER 111 -0.050 5.743 -4.361 884 HB2 SER 111 2HB SER 111 2.140 6.849 -3.441 885 HB3 SER 111 1HB SER 111 2.542 5.251 -2.845 886 HG SER 111 HG SER 111 1.955 5.943 -5.539 887 H PHE 112 H PHE 112 -1.500 4.024 -4.078 888 HA PHE 112 HA PHE 112 -0.497 1.581 -2.780 889 HB2 PHE 112 2HB PHE 112 -2.767 2.030 -2.208 890 HB3 PHE 112 1HB PHE 112 -3.236 2.380 -3.844 891 HD1 PHE 112 1HD PHE 112 -3.553 0.432 -5.470 892 HD2 PHE 112 2HD PHE 112 -2.692 -0.240 -1.316 893 HE1 PHE 112 1HE PHE 112 -4.332 -1.894 -5.674 894 HE2 PHE 112 2HE PHE 112 -3.467 -2.563 -1.546 895 HZ PHE 112 HZ PHE 112 -4.292 -3.388 -3.720 896 H THR 113 H THR 113 0.805 0.402 -4.019 897 HA THR 113 HA THR 113 -0.029 -0.211 -6.794 898 HB THR 113 HB THR 113 2.397 -0.589 -7.369 899 HG1 THR 113 1HG THR 113 2.888 0.760 -4.906 900 HG21 THR 113 3HG2 THR 113 1.835 2.247 -6.474 901 HG22 THR 113 1HG2 THR 113 1.332 1.544 -8.016 902 HG23 THR 113 2HG2 THR 113 3.048 1.741 -7.648 903 H MET 114 H MET 114 -0.050 -2.330 -7.299 904 HA MET 114 HA MET 114 1.465 -4.241 -5.729 905 HB2 MET 114 2HB MET 114 -0.550 -5.834 -5.812 906 HB3 MET 114 1HB MET 114 -0.589 -4.551 -4.622 907 HG2 MET 114 2HG MET 114 -2.194 -3.338 -5.849 908 HG3 MET 114 1HG MET 114 -2.001 -4.345 -7.280 909 HE1 MET 114 3HE MET 114 -1.911 -7.286 -6.106 910 HE2 MET 114 1HE MET 114 -2.882 -6.806 -7.501 911 HE3 MET 114 2HE MET 114 -3.621 -7.715 -6.183 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 14.750 17.549 0.155 2 H2 GLY 1 2HT GLY 1 15.728 17.160 -1.160 3 H3 GLY 1 3HT GLY 1 15.097 15.932 -0.190 4 HA2 GLY 1 1HA GLY 1 12.848 16.559 -0.885 5 HA3 GLY 1 2HA GLY 1 13.565 17.766 -1.942 6 H GLU 2 H GLU 2 13.850 14.321 -1.149 7 HA GLU 2 HA GLU 2 14.007 13.602 -4.004 8 HB2 GLU 2 2HB GLU 2 15.859 12.021 -3.552 9 HB3 GLU 2 1HB GLU 2 16.357 13.676 -3.238 10 HG2 GLU 2 2HG GLU 2 15.492 11.758 -1.044 11 HG3 GLU 2 1HG GLU 2 17.158 11.898 -1.591 12 H ILE 3 H ILE 3 13.618 11.284 -4.356 13 HA ILE 3 HA ILE 3 11.710 10.141 -2.433 14 HB ILE 3 HB ILE 3 12.405 9.072 -5.228 15 HG12 ILE 3 2HG1 ILE 3 11.598 11.394 -5.527 16 HG13 ILE 3 1HG1 ILE 3 10.445 10.241 -6.178 17 HG21 ILE 3 1HG2 ILE 3 11.261 7.446 -3.793 18 HG22 ILE 3 2HG2 ILE 3 10.219 7.923 -5.135 19 HG23 ILE 3 3HG2 ILE 3 9.943 8.585 -3.523 20 HD11 ILE 3 3HD1 ILE 3 10.194 11.728 -3.570 21 HD12 ILE 3 1HD1 ILE 3 9.022 10.575 -4.217 22 HD13 ILE 3 2HD1 ILE 3 9.348 12.080 -5.076 23 H LEU 4 H LEU 4 12.908 9.109 -0.875 24 HA LEU 4 HA LEU 4 15.548 8.179 -1.305 25 HB2 LEU 4 2HB LEU 4 13.902 7.732 1.191 26 HB3 LEU 4 1HB LEU 4 15.650 7.700 1.047 27 HG LEU 4 HG LEU 4 15.259 10.223 0.274 28 HD11 LEU 4 1HD1 LEU 4 12.948 10.204 0.253 29 HD12 LEU 4 2HD1 LEU 4 13.519 11.326 1.485 30 HD13 LEU 4 3HD1 LEU 4 12.870 9.752 1.959 31 HD21 LEU 4 3HD2 LEU 4 15.700 10.989 2.555 32 HD22 LEU 4 1HD2 LEU 4 16.653 9.552 2.194 33 HD23 LEU 4 2HD2 LEU 4 15.200 9.417 3.191 34 H LYS 5 H LYS 5 16.168 6.087 -0.116 35 HA LYS 5 HA LYS 5 14.506 3.804 -0.979 36 HB2 LYS 5 2HB LYS 5 16.798 2.542 -0.899 37 HB3 LYS 5 1HB LYS 5 16.418 3.570 -2.266 38 HG2 LYS 5 2HG LYS 5 18.707 3.931 -1.701 39 HG3 LYS 5 1HG LYS 5 17.793 5.374 -1.265 40 HD2 LYS 5 2HD LYS 5 17.862 4.740 1.115 41 HD3 LYS 5 1HD LYS 5 18.684 3.230 0.712 42 HE2 LYS 5 2HE LYS 5 20.642 4.462 -0.056 43 HE3 LYS 5 1HE LYS 5 19.817 6.000 0.194 44 HZ1 LYS 5 3HZ LYS 5 19.692 5.399 2.582 45 HZ2 LYS 5 1HZ LYS 5 21.265 5.626 2.003 46 HZ3 LYS 5 2HZ LYS 5 20.676 4.063 2.260 47 H GLU 6 H GLU 6 14.517 5.396 1.560 48 HA GLU 6 HA GLU 6 14.230 3.220 3.432 49 HB2 GLU 6 2HB GLU 6 15.820 4.023 5.111 50 HB3 GLU 6 1HB GLU 6 16.684 3.675 3.614 51 HG2 GLU 6 2HG GLU 6 16.758 6.069 3.072 52 HG3 GLU 6 1HG GLU 6 15.824 6.447 4.522 53 H LEU 7 H LEU 7 13.548 4.129 5.598 54 HA LEU 7 HA LEU 7 11.658 6.326 5.283 55 HB2 LEU 7 2HB LEU 7 12.215 4.430 7.593 56 HB3 LEU 7 1HB LEU 7 10.962 5.668 7.614 57 HG LEU 7 HG LEU 7 11.069 3.229 5.805 58 HD11 LEU 7 1HD1 LEU 7 10.503 2.684 8.097 59 HD12 LEU 7 2HD1 LEU 7 9.118 2.471 7.033 60 HD13 LEU 7 3HD1 LEU 7 9.208 3.888 8.086 61 HD21 LEU 7 3HD2 LEU 7 8.884 3.850 4.967 62 HD22 LEU 7 1HD2 LEU 7 10.038 5.133 4.633 63 HD23 LEU 7 2HD2 LEU 7 8.876 5.322 5.949 64 HA PRO 8 HA PRO 8 14.739 9.022 7.431 65 HB2 PRO 8 2HB PRO 8 13.734 11.393 6.540 66 HB3 PRO 8 1HB PRO 8 14.746 10.368 5.497 67 HG2 PRO 8 2HG PRO 8 11.743 10.608 5.554 68 HG3 PRO 8 1HG PRO 8 12.842 10.596 4.152 69 HD2 PRO 8 2HD PRO 8 11.495 8.350 4.971 70 HD3 PRO 8 1HD PRO 8 13.083 8.286 4.185 71 H GLU 9 H GLU 9 13.449 11.542 8.226 72 HA GLU 9 HA GLU 9 12.717 10.788 10.836 73 HB2 GLU 9 2HB GLU 9 12.404 13.474 9.435 74 HB3 GLU 9 1HB GLU 9 12.349 13.218 11.184 75 HG2 GLU 9 2HG GLU 9 14.650 12.521 11.217 76 HG3 GLU 9 1HG GLU 9 14.735 12.544 9.456 77 H GLY 10 H GLY 10 10.820 10.567 11.851 78 HA2 GLY 10 2HA GLY 10 8.595 11.201 12.329 79 HA3 GLY 10 1HA GLY 10 8.346 11.567 10.633 80 H PHE 11 H PHE 11 9.660 8.913 9.894 81 HA PHE 11 HA PHE 11 7.162 7.337 10.158 82 HB2 PHE 11 2HB PHE 11 9.380 6.609 8.241 83 HB3 PHE 11 1HB PHE 11 7.680 6.260 8.116 84 HD1 PHE 11 2HD PHE 11 6.080 8.221 7.599 85 HD2 PHE 11 1HD PHE 11 10.287 8.451 7.257 86 HE1 PHE 11 2HE PHE 11 5.846 10.214 6.189 87 HE2 PHE 11 1HE PHE 11 10.079 10.464 5.849 88 HZ PHE 11 HZ PHE 11 7.852 11.340 5.318 89 H ASP 12 H ASP 12 7.263 5.128 10.598 90 HA ASP 12 HA ASP 12 9.586 4.126 12.132 91 HB2 ASP 12 2HB ASP 12 6.631 3.638 12.730 92 HB3 ASP 12 1HB ASP 12 7.994 3.040 13.656 93 H LYS 13 H LYS 13 10.150 2.016 11.646 94 HA LYS 13 HA LYS 13 9.506 1.156 9.050 95 HB2 LYS 13 2HB LYS 13 11.062 -0.304 11.210 96 HB3 LYS 13 1HB LYS 13 11.151 -0.573 9.478 97 HG2 LYS 13 2HG LYS 13 12.028 1.734 9.168 98 HG3 LYS 13 1HG LYS 13 11.996 1.958 10.917 99 HD2 LYS 13 2HD LYS 13 14.256 1.455 10.280 100 HD3 LYS 13 1HD LYS 13 13.615 0.043 11.126 101 HE2 LYS 13 2HE LYS 13 13.214 -1.062 8.953 102 HE3 LYS 13 1HE LYS 13 13.838 0.361 8.118 103 HZ1 LYS 13 3HZ LYS 13 15.371 -1.340 9.996 104 HZ2 LYS 13 1HZ LYS 13 15.970 0.006 9.164 105 HZ3 LYS 13 2HZ LYS 13 15.498 -1.377 8.312 106 H GLU 14 H GLU 14 8.917 -0.419 12.222 107 HA GLU 14 HA GLU 14 7.492 -2.629 11.169 108 HB2 GLU 14 2HB GLU 14 7.499 -1.490 13.995 109 HB3 GLU 14 1HB GLU 14 6.751 -3.025 13.544 110 HG2 GLU 14 2HG GLU 14 9.033 -3.759 12.706 111 HG3 GLU 14 1HG GLU 14 9.695 -2.312 13.471 112 H THR 15 H THR 15 6.462 0.552 12.303 113 HA THR 15 HA THR 15 3.659 -0.022 12.422 114 HB THR 15 HB THR 15 4.987 2.714 12.271 115 HG1 THR 15 1HG THR 15 4.877 0.787 14.305 116 HG21 THR 15 3HG2 THR 15 2.361 1.817 13.539 117 HG22 THR 15 1HG2 THR 15 2.518 2.796 12.077 118 HG23 THR 15 2HG2 THR 15 3.038 3.444 13.633 119 H VAL 16 H VAL 16 5.807 1.370 9.982 120 HA VAL 16 HA VAL 16 3.883 2.116 8.038 121 HB VAL 16 HB VAL 16 6.868 1.607 8.014 122 HG11 VAL 16 1HG1 VAL 16 7.028 2.089 5.577 123 HG12 VAL 16 2HG1 VAL 16 5.274 1.939 5.454 124 HG13 VAL 16 3HG1 VAL 16 6.243 0.545 5.916 125 HG21 VAL 16 3HG2 VAL 16 5.180 3.993 7.147 126 HG22 VAL 16 1HG2 VAL 16 6.945 3.953 7.212 127 HG23 VAL 16 2HG2 VAL 16 6.005 3.819 8.698 128 H ARG 17 H ARG 17 5.945 -0.817 8.259 129 HA ARG 17 HA ARG 17 4.844 -2.390 6.268 130 HB2 ARG 17 2HB ARG 17 6.841 -3.086 7.478 131 HB3 ARG 17 1HB ARG 17 5.934 -3.232 8.986 132 HG2 ARG 17 2HG ARG 17 4.607 -5.100 7.976 133 HG3 ARG 17 1HG ARG 17 5.581 -4.968 6.509 134 HD2 ARG 17 2HD ARG 17 7.583 -5.560 7.772 135 HD3 ARG 17 1HD ARG 17 6.645 -5.624 9.268 136 HE ARG 17 HE ARG 17 5.371 -7.479 8.204 137 HH11 ARG 17 1HH1 ARG 17 8.670 -6.857 7.159 138 HH12 ARG 17 2HH1 ARG 17 8.926 -8.487 6.631 139 HH21 ARG 17 1HH2 ARG 17 5.749 -9.610 7.534 140 HH22 ARG 17 2HH2 ARG 17 7.278 -10.036 6.845 141 H LYS 18 H LYS 18 3.762 -2.026 9.631 142 HA LYS 18 HA LYS 18 1.757 -3.955 9.765 143 HB2 LYS 18 2HB LYS 18 2.948 -2.126 11.504 144 HB3 LYS 18 1HB LYS 18 1.326 -1.496 11.396 145 HG2 LYS 18 2HG LYS 18 1.436 -2.931 13.294 146 HG3 LYS 18 1HG LYS 18 0.468 -3.746 12.061 147 HD2 LYS 18 2HD LYS 18 2.443 -5.126 11.426 148 HD3 LYS 18 1HD LYS 18 3.401 -4.319 12.670 149 HE2 LYS 18 2HE LYS 18 1.903 -5.240 14.404 150 HE3 LYS 18 1HE LYS 18 0.945 -6.033 13.150 151 HZ1 LYS 18 3HZ LYS 18 2.438 -7.600 14.080 152 HZ2 LYS 18 1HZ LYS 18 3.769 -6.581 13.848 153 HZ3 LYS 18 2HZ LYS 18 2.972 -7.249 12.515 154 H GLN 19 H GLN 19 1.626 -0.521 8.944 155 HA GLN 19 HA GLN 19 -1.163 -0.143 8.687 156 HB2 GLN 19 2HB GLN 19 0.925 1.556 8.756 157 HB3 GLN 19 1HB GLN 19 0.785 1.474 7.012 158 HG2 GLN 19 2HG GLN 19 -1.309 2.432 8.971 159 HG3 GLN 19 1HG GLN 19 -0.362 3.435 7.900 160 HE21 GLN 19 1HE2 GLN 19 -3.044 1.233 8.167 161 HE22 GLN 19 2HE2 GLN 19 -3.703 1.554 6.617 162 H ALA 20 H ALA 20 1.300 -1.304 6.489 163 HA ALA 20 HA ALA 20 -0.192 -0.949 4.053 164 HB1 ALA 20 1HB ALA 20 1.728 -2.111 3.022 165 HB2 ALA 20 2HB ALA 20 2.381 -2.477 4.625 166 HB3 ALA 20 3HB ALA 20 2.268 -0.804 4.078 167 H MET 21 H MET 21 0.667 -3.552 6.320 168 HA MET 21 HA MET 21 -0.285 -5.724 4.883 169 HB2 MET 21 2HB MET 21 -0.140 -5.403 7.906 170 HB3 MET 21 1HB MET 21 -0.484 -6.926 7.100 171 HG2 MET 21 2HG MET 21 1.792 -6.542 5.915 172 HG3 MET 21 1HG MET 21 2.103 -5.405 7.220 173 HE1 MET 21 3HE MET 21 1.695 -7.941 10.301 174 HE2 MET 21 1HE MET 21 0.385 -7.044 9.539 175 HE3 MET 21 2HE MET 21 1.924 -6.244 9.881 176 H GLU 22 H GLU 22 -1.886 -3.471 7.022 177 HA GLU 22 HA GLU 22 -4.427 -4.673 7.222 178 HB2 GLU 22 2HB GLU 22 -3.724 -1.710 7.344 179 HB3 GLU 22 1HB GLU 22 -5.228 -2.435 7.917 180 HG2 GLU 22 2HG GLU 22 -4.011 -3.654 9.653 181 HG3 GLU 22 1HG GLU 22 -2.478 -3.037 9.043 182 H ASP 23 H ASP 23 -3.232 -2.061 5.064 183 HA ASP 23 HA ASP 23 -5.641 -1.585 3.709 184 HB2 ASP 23 2HB ASP 23 -3.745 0.008 3.609 185 HB3 ASP 23 1HB ASP 23 -2.805 -1.130 2.647 186 H ILE 24 H ILE 24 -3.029 -3.842 3.048 187 HA ILE 24 HA ILE 24 -3.718 -4.745 0.482 188 HB ILE 24 HB ILE 24 -2.329 -6.187 2.784 189 HG12 ILE 24 2HG1 ILE 24 -1.132 -4.915 0.265 190 HG13 ILE 24 1HG1 ILE 24 -1.222 -4.120 1.830 191 HG21 ILE 24 1HG2 ILE 24 -3.235 -7.905 1.291 192 HG22 ILE 24 2HG2 ILE 24 -1.482 -7.832 1.118 193 HG23 ILE 24 3HG2 ILE 24 -2.520 -7.106 -0.111 194 HD11 ILE 24 3HD1 ILE 24 0.244 -5.817 2.795 195 HD12 ILE 24 1HD1 ILE 24 0.989 -5.001 1.421 196 HD13 ILE 24 2HD1 ILE 24 0.337 -6.628 1.229 197 H GLU 25 H GLU 25 -4.826 -5.777 3.702 198 HA GLU 25 HA GLU 25 -6.398 -7.969 2.847 199 HB2 GLU 25 2HB GLU 25 -6.579 -6.358 5.407 200 HB3 GLU 25 1HB GLU 25 -7.389 -7.904 5.132 201 HG2 GLU 25 2HG GLU 25 -5.262 -9.053 4.982 202 HG3 GLU 25 1HG GLU 25 -4.379 -7.531 5.075 203 H ILE 26 H ILE 26 -7.110 -4.617 3.417 204 HA ILE 26 HA ILE 26 -9.972 -4.794 3.187 205 HB ILE 26 HB ILE 26 -8.118 -2.371 2.956 206 HG12 ILE 26 2HG1 ILE 26 -9.543 -3.276 5.503 207 HG13 ILE 26 1HG1 ILE 26 -7.951 -3.892 5.086 208 HG21 ILE 26 1HG2 ILE 26 -10.073 -1.044 3.717 209 HG22 ILE 26 2HG2 ILE 26 -11.074 -2.499 3.691 210 HG23 ILE 26 3HG2 ILE 26 -10.401 -1.862 2.188 211 HD11 ILE 26 3HD1 ILE 26 -7.855 -2.068 6.658 212 HD12 ILE 26 1HD1 ILE 26 -8.622 -0.994 5.485 213 HD13 ILE 26 2HD1 ILE 26 -7.029 -1.689 5.149 214 H ALA 27 H ALA 27 -7.292 -4.442 1.006 215 HA ALA 27 HA ALA 27 -8.750 -3.532 -1.319 216 HB1 ALA 27 1HB ALA 27 -5.988 -4.799 -1.082 217 HB2 ALA 27 2HB ALA 27 -6.339 -3.070 -1.069 218 HB3 ALA 27 3HB ALA 27 -6.640 -4.018 -2.527 219 H GLN 28 H GLN 28 -7.405 -6.609 -0.145 220 HA GLN 28 HA GLN 28 -8.310 -8.381 -2.123 221 HB2 GLN 28 2HB GLN 28 -7.766 -8.816 0.839 222 HB3 GLN 28 1HB GLN 28 -8.124 -10.137 -0.272 223 HG2 GLN 28 2HG GLN 28 -6.106 -9.668 -1.540 224 HG3 GLN 28 1HG GLN 28 -5.756 -8.265 -0.527 225 HE21 GLN 28 1HE2 GLN 28 -5.013 -8.606 1.610 226 HE22 GLN 28 2HE2 GLN 28 -4.423 -10.139 2.135 227 H SER 29 H SER 29 -9.998 -6.831 0.455 228 HA SER 29 HA SER 29 -12.217 -8.707 0.580 229 HB2 SER 29 2HB SER 29 -11.297 -7.709 2.642 230 HB3 SER 29 1HB SER 29 -11.656 -6.092 2.040 231 HG SER 29 HG SER 29 -13.655 -6.318 2.638 232 H LYS 30 H LYS 30 -11.501 -6.583 -1.748 233 HA LYS 30 HA LYS 30 -12.433 -4.986 -3.034 234 HB2 LYS 30 2HB LYS 30 -14.479 -5.641 -4.217 235 HB3 LYS 30 1HB LYS 30 -13.388 -7.005 -4.033 236 HG2 LYS 30 2HG LYS 30 -14.803 -7.935 -2.250 237 HG3 LYS 30 1HG LYS 30 -15.864 -6.529 -2.336 238 HD2 LYS 30 2HD LYS 30 -16.867 -8.433 -3.504 239 HD3 LYS 30 1HD LYS 30 -16.505 -7.133 -4.642 240 HE2 LYS 30 2HE LYS 30 -15.909 -9.315 -5.601 241 HE3 LYS 30 1HE LYS 30 -14.457 -8.346 -5.356 242 HZ1 LYS 30 3HZ LYS 30 -14.228 -10.684 -4.674 243 HZ2 LYS 30 1HZ LYS 30 -15.402 -10.447 -3.483 244 HZ3 LYS 30 2HZ LYS 30 -13.938 -9.604 -3.408 245 H ASP 31 H ASP 31 -12.353 -4.012 -0.670 246 HA ASP 31 HA ASP 31 -14.849 -2.636 -0.079 247 HB2 ASP 31 2HB ASP 31 -12.057 -2.489 1.132 248 HB3 ASP 31 1HB ASP 31 -13.282 -1.280 1.512 249 H TYR 32 H TYR 32 -15.276 -0.643 -0.659 250 HA TYR 32 HA TYR 32 -13.451 0.783 -2.503 251 HB2 TYR 32 2HB TYR 32 -16.454 1.253 -2.318 252 HB3 TYR 32 1HB TYR 32 -15.371 1.611 -3.662 253 HD1 TYR 32 2HD TYR 32 -13.961 -0.845 -4.220 254 HD2 TYR 32 1HD TYR 32 -18.023 -0.366 -2.981 255 HE1 TYR 32 2HE TYR 32 -14.493 -3.049 -5.136 256 HE2 TYR 32 1HE TYR 32 -18.562 -2.568 -3.931 257 HH TYR 32 HH TYR 32 -16.132 -4.772 -4.991 258 H GLU 33 H GLU 33 -16.133 1.468 -0.214 259 HA GLU 33 HA GLU 33 -15.192 4.094 0.409 260 HB2 GLU 33 2HB GLU 33 -16.995 4.044 2.187 261 HB3 GLU 33 1HB GLU 33 -17.542 3.746 0.541 262 HG2 GLU 33 2HG GLU 33 -17.665 1.341 0.988 263 HG3 GLU 33 1HG GLU 33 -17.066 1.594 2.630 264 H SER 34 H SER 34 -15.012 0.968 2.162 265 HA SER 34 HA SER 34 -13.783 2.034 4.523 266 HB2 SER 34 2HB SER 34 -13.709 -0.849 3.537 267 HB3 SER 34 1HB SER 34 -13.473 -0.290 5.195 268 HG SER 34 HG SER 34 -15.618 -1.133 4.535 269 H TRP 35 H TRP 35 -12.598 0.950 1.450 270 HA TRP 35 HA TRP 35 -9.821 0.674 2.202 271 HB2 TRP 35 2HB TRP 35 -10.986 -0.664 0.400 272 HB3 TRP 35 1HB TRP 35 -11.070 0.799 -0.573 273 HD1 TRP 35 HD TRP 35 -8.117 -0.871 1.351 274 HE1 TRP 35 1HE TRP 35 -6.151 -1.114 -0.274 275 HE3 TRP 35 3HE TRP 35 -10.319 1.034 -2.843 276 HZ2 TRP 35 2HZ TRP 35 -5.612 -0.594 -2.989 277 HZ3 TRP 35 3HZ TRP 35 -9.008 1.115 -4.935 278 HH2 TRP 35 HH TRP 35 -6.695 0.314 -5.000 279 H LYS 36 H LYS 36 -11.858 3.026 0.484 280 HA LYS 36 HA LYS 36 -10.121 5.101 -0.122 281 HB2 LYS 36 2HB LYS 36 -13.023 5.028 0.784 282 HB3 LYS 36 1HB LYS 36 -12.240 6.585 0.594 283 HG2 LYS 36 2HG LYS 36 -11.961 6.283 -1.748 284 HG3 LYS 36 1HG LYS 36 -12.347 4.568 -1.648 285 HD2 LYS 36 2HD LYS 36 -14.231 5.730 -2.619 286 HD3 LYS 36 1HD LYS 36 -14.698 5.144 -1.030 287 HE2 LYS 36 2HE LYS 36 -13.871 8.009 -1.617 288 HE3 LYS 36 1HE LYS 36 -15.538 7.447 -1.618 289 HZ1 LYS 36 3HZ LYS 36 -13.711 7.412 0.725 290 HZ2 LYS 36 1HZ LYS 36 -15.325 6.907 0.718 291 HZ3 LYS 36 2HZ LYS 36 -14.941 8.528 0.446 292 H SER 37 H SER 37 -11.552 4.156 2.982 293 HA SER 37 HA SER 37 -10.978 6.433 4.508 294 HB2 SER 37 2HB SER 37 -11.332 3.554 5.437 295 HB3 SER 37 1HB SER 37 -11.433 4.984 6.469 296 HG SER 37 HG SER 37 -13.034 4.970 4.196 297 H ARG 38 H ARG 38 -8.824 3.877 3.483 298 HA ARG 38 HA ARG 38 -6.701 4.502 5.344 299 HB2 ARG 38 2HB ARG 38 -7.089 2.538 3.185 300 HB3 ARG 38 1HB ARG 38 -5.505 3.282 3.051 301 HG2 ARG 38 2HG ARG 38 -5.372 1.227 4.349 302 HG3 ARG 38 1HG ARG 38 -4.963 2.621 5.351 303 HD2 ARG 38 2HD ARG 38 -7.316 2.578 6.256 304 HD3 ARG 38 1HD ARG 38 -7.580 1.079 5.355 305 HE ARG 38 HE ARG 38 -5.317 0.658 6.874 306 HH11 ARG 38 1HH1 ARG 38 -8.686 1.379 7.558 307 HH12 ARG 38 2HH1 ARG 38 -8.657 0.578 9.095 308 HH21 ARG 38 1HH2 ARG 38 -5.299 -0.320 8.910 309 HH22 ARG 38 2HH2 ARG 38 -6.752 -0.376 9.856 310 H PHE 39 H PHE 39 -7.460 5.298 1.963 311 HA PHE 39 HA PHE 39 -5.152 6.844 1.399 312 HB2 PHE 39 2HB PHE 39 -7.884 6.705 0.071 313 HB3 PHE 39 1HB PHE 39 -6.558 7.668 -0.581 314 HD1 PHE 39 1HD PHE 39 -7.787 4.245 0.023 315 HD2 PHE 39 2HD PHE 39 -4.617 6.614 -1.626 316 HE1 PHE 39 1HE PHE 39 -6.868 2.255 -1.073 317 HE2 PHE 39 2HE PHE 39 -3.681 4.595 -2.685 318 HZ PHE 39 HZ PHE 39 -4.828 2.426 -2.428 319 H THR 40 H THR 40 -5.238 9.151 0.680 320 HA THR 40 HA THR 40 -6.067 10.910 2.753 321 HB THR 40 HB THR 40 -5.106 12.679 1.542 322 HG1 THR 40 1HG THR 40 -4.926 12.542 -0.853 323 HG21 THR 40 3HG2 THR 40 -3.115 11.948 0.345 324 HG22 THR 40 1HG2 THR 40 -3.799 10.330 0.155 325 HG23 THR 40 2HG2 THR 40 -3.371 10.926 1.760 326 H LYS 41 H LYS 41 -7.715 12.541 2.658 327 HA LYS 41 HA LYS 41 -10.248 11.706 1.754 328 HB2 LYS 41 2HB LYS 41 -9.140 14.162 3.012 329 HB3 LYS 41 1HB LYS 41 -10.652 14.394 2.157 330 HG2 LYS 41 2HG LYS 41 -10.958 13.974 4.580 331 HG3 LYS 41 1HG LYS 41 -11.782 12.790 3.572 332 HD2 LYS 41 2HD LYS 41 -10.762 11.695 5.497 333 HD3 LYS 41 1HD LYS 41 -9.970 11.152 4.018 334 HE2 LYS 41 2HE LYS 41 -8.373 11.571 5.882 335 HE3 LYS 41 1HE LYS 41 -8.047 12.594 4.484 336 HZ1 LYS 41 3HZ LYS 41 -7.910 13.821 6.547 337 HZ2 LYS 41 1HZ LYS 41 -9.504 13.420 6.930 338 HZ3 LYS 41 2HZ LYS 41 -9.177 14.410 5.600 339 H ASP 42 H ASP 42 -7.789 13.593 0.167 340 HA ASP 42 HA ASP 42 -9.279 14.524 -2.091 341 HB2 ASP 42 2HB ASP 42 -7.184 15.595 -1.645 342 HB3 ASP 42 1HB ASP 42 -6.324 14.068 -1.529 343 H LEU 43 H LEU 43 -7.207 11.724 -1.462 344 HA LEU 43 HA LEU 43 -7.356 10.539 -4.018 345 HB2 LEU 43 2HB LEU 43 -6.513 9.483 -1.337 346 HB3 LEU 43 1HB LEU 43 -6.505 8.469 -2.776 347 HG LEU 43 HG LEU 43 -4.881 11.008 -2.376 348 HD11 LEU 43 1HD1 LEU 43 -4.075 9.135 -1.088 349 HD12 LEU 43 2HD1 LEU 43 -2.981 9.494 -2.421 350 HD13 LEU 43 3HD1 LEU 43 -4.080 8.112 -2.526 351 HD21 LEU 43 3HD2 LEU 43 -5.556 10.716 -4.725 352 HD22 LEU 43 1HD2 LEU 43 -4.896 9.073 -4.695 353 HD23 LEU 43 2HD2 LEU 43 -3.828 10.472 -4.489 354 H GLN 44 H GLN 44 -9.417 10.366 -1.219 355 HA GLN 44 HA GLN 44 -10.792 8.005 -1.799 356 HB2 GLN 44 2HB GLN 44 -11.727 10.522 -0.395 357 HB3 GLN 44 1HB GLN 44 -12.626 8.992 -0.424 358 HG2 GLN 44 2HG GLN 44 -10.602 7.875 0.545 359 HG3 GLN 44 1HG GLN 44 -9.875 9.463 0.737 360 HE21 GLN 44 1HE2 GLN 44 -9.690 9.055 2.918 361 HE22 GLN 44 2HE2 GLN 44 -11.049 9.156 3.955 362 H SER 45 H SER 45 -11.066 11.271 -3.070 363 HA SER 45 HA SER 45 -13.257 10.574 -4.882 364 HB2 SER 45 2HB SER 45 -11.760 13.186 -4.577 365 HB3 SER 45 1HB SER 45 -13.239 12.938 -5.503 366 HG SER 45 HG SER 45 -13.435 12.092 -2.914 367 H SER 46 H SER 46 -9.781 10.604 -4.858 368 HA SER 46 HA SER 46 -9.550 10.836 -7.784 369 HB2 SER 46 2HB SER 46 -7.345 10.716 -5.695 370 HB3 SER 46 1HB SER 46 -7.143 11.094 -7.406 371 HG SER 46 HG SER 46 -7.688 12.754 -5.409 372 H LEU 47 H LEU 47 -10.079 8.363 -5.608 373 HA LEU 47 HA LEU 47 -8.503 6.268 -6.733 374 HB2 LEU 47 2HB LEU 47 -11.126 6.159 -5.226 375 HB3 LEU 47 1HB LEU 47 -10.305 4.731 -5.833 376 HG LEU 47 HG LEU 47 -9.582 6.494 -3.503 377 HD11 LEU 47 1HD1 LEU 47 -9.200 4.338 -2.425 378 HD12 LEU 47 2HD1 LEU 47 -9.560 3.530 -3.955 379 HD13 LEU 47 3HD1 LEU 47 -10.811 4.460 -3.128 380 HD21 LEU 47 3HD2 LEU 47 -7.516 4.837 -4.990 381 HD22 LEU 47 1HD2 LEU 47 -7.308 5.539 -3.378 382 HD23 LEU 47 2HD2 LEU 47 -7.508 6.592 -4.777 383 H THR 48 H THR 48 -9.020 4.824 -8.317 384 HA THR 48 HA THR 48 -11.239 5.519 -10.149 385 HB THR 48 HB THR 48 -10.039 4.261 -11.897 386 HG1 THR 48 1HG THR 48 -7.759 3.940 -10.288 387 HG21 THR 48 3HG2 THR 48 -8.136 6.200 -10.523 388 HG22 THR 48 1HG2 THR 48 -9.421 6.651 -11.648 389 HG23 THR 48 2HG2 THR 48 -8.053 5.687 -12.210 390 H GLU 49 H GLU 49 -12.536 3.818 -10.930 391 HA GLU 49 HA GLU 49 -13.226 1.648 -9.290 392 HB2 GLU 49 2HB GLU 49 -14.678 2.561 -11.018 393 HB3 GLU 49 1HB GLU 49 -13.589 2.036 -12.285 394 HG2 GLU 49 2HG GLU 49 -14.033 -0.333 -11.558 395 HG3 GLU 49 1HG GLU 49 -15.259 0.285 -10.453 396 H GLU 50 H GLU 50 -10.968 1.949 -11.994 397 HA GLU 50 HA GLU 50 -10.261 -0.694 -12.422 398 HB2 GLU 50 2HB GLU 50 -9.745 1.297 -13.875 399 HB3 GLU 50 1HB GLU 50 -8.519 1.790 -12.716 400 HG2 GLU 50 2HG GLU 50 -7.346 -0.381 -13.129 401 HG3 GLU 50 1HG GLU 50 -8.541 -0.735 -14.371 402 H SER 51 H SER 51 -9.249 1.574 -9.952 403 HA SER 51 HA SER 51 -6.775 0.436 -9.164 404 HB2 SER 51 2HB SER 51 -7.530 2.766 -8.570 405 HB3 SER 51 1HB SER 51 -8.675 2.074 -7.424 406 HG SER 51 HG SER 51 -6.694 1.021 -6.507 407 H TYR 52 H TYR 52 -10.105 -0.465 -8.356 408 HA TYR 52 HA TYR 52 -9.021 -2.660 -6.696 409 HB2 TYR 52 2HB TYR 52 -11.160 -2.999 -5.728 410 HB3 TYR 52 1HB TYR 52 -10.970 -1.260 -5.770 411 HD1 TYR 52 2HD TYR 52 -12.751 -4.148 -7.300 412 HD2 TYR 52 1HD TYR 52 -12.581 0.132 -7.055 413 HE1 TYR 52 2HE TYR 52 -14.919 -3.998 -8.421 414 HE2 TYR 52 1HE TYR 52 -14.769 0.262 -8.163 415 HH TYR 52 HH TYR 52 -16.158 -1.113 -9.685 416 H ASP 53 H ASP 53 -10.671 -1.951 -9.747 417 HA ASP 53 HA ASP 53 -11.839 -4.530 -10.121 418 HB2 ASP 53 2HB ASP 53 -12.806 -2.432 -11.046 419 HB3 ASP 53 1HB ASP 53 -11.440 -2.284 -12.143 420 H SER 54 H SER 54 -9.253 -2.868 -11.998 421 HA SER 54 HA SER 54 -8.361 -5.137 -13.414 422 HB2 SER 54 2HB SER 54 -7.724 -2.831 -14.086 423 HB3 SER 54 1HB SER 54 -6.749 -2.666 -12.625 424 HG SER 54 HG SER 54 -5.599 -3.285 -14.572 425 H TYR 55 H TYR 55 -7.400 -3.721 -10.307 426 HA TYR 55 HA TYR 55 -5.299 -5.296 -9.477 427 HB2 TYR 55 2HB TYR 55 -5.877 -3.484 -8.059 428 HB3 TYR 55 1HB TYR 55 -7.574 -3.919 -8.025 429 HD1 TYR 55 2HD TYR 55 -4.241 -4.840 -6.704 430 HD2 TYR 55 1HD TYR 55 -8.454 -5.336 -6.255 431 HE1 TYR 55 2HE TYR 55 -3.883 -5.988 -4.569 432 HE2 TYR 55 1HE TYR 55 -8.093 -6.491 -4.121 433 HH TYR 55 HH TYR 55 -5.075 -6.497 -2.524 434 H LEU 56 H LEU 56 -8.778 -6.095 -9.422 435 HA LEU 56 HA LEU 56 -8.534 -8.507 -7.966 436 HB2 LEU 56 2HB LEU 56 -10.758 -7.600 -9.827 437 HB3 LEU 56 1HB LEU 56 -10.843 -9.056 -8.847 438 HG LEU 56 HG LEU 56 -10.735 -6.199 -7.835 439 HD11 LEU 56 1HD1 LEU 56 -12.936 -6.626 -6.910 440 HD12 LEU 56 2HD1 LEU 56 -12.934 -8.247 -7.612 441 HD13 LEU 56 3HD1 LEU 56 -12.922 -6.825 -8.661 442 HD21 LEU 56 3HD2 LEU 56 -10.909 -7.103 -5.553 443 HD22 LEU 56 1HD2 LEU 56 -9.403 -7.584 -6.331 444 HD23 LEU 56 2HD2 LEU 56 -10.728 -8.742 -6.185 445 H LYS 57 H LYS 57 -8.317 -7.776 -11.416 446 HA LYS 57 HA LYS 57 -8.393 -10.385 -12.447 447 HB2 LYS 57 2HB LYS 57 -6.953 -7.942 -13.490 448 HB3 LYS 57 1HB LYS 57 -7.166 -9.428 -14.396 449 HG2 LYS 57 2HG LYS 57 -9.482 -7.746 -13.377 450 HG3 LYS 57 1HG LYS 57 -8.788 -7.606 -14.982 451 HD2 LYS 57 2HD LYS 57 -10.574 -9.020 -15.448 452 HD3 LYS 57 1HD LYS 57 -9.307 -10.201 -15.144 453 HE2 LYS 57 2HE LYS 57 -10.210 -10.289 -12.719 454 HE3 LYS 57 1HE LYS 57 -11.599 -9.390 -13.332 455 HZ1 LYS 57 3HZ LYS 57 -10.676 -11.981 -14.423 456 HZ2 LYS 57 1HZ LYS 57 -12.104 -11.164 -14.820 457 HZ3 LYS 57 2HZ LYS 57 -11.899 -11.819 -13.271 458 H ILE 58 H ILE 58 -5.763 -8.469 -11.104 459 HA ILE 58 HA ILE 58 -3.648 -10.303 -11.600 460 HB ILE 58 HB ILE 58 -3.919 -8.116 -9.479 461 HG12 ILE 58 2HG1 ILE 58 -2.023 -7.033 -10.801 462 HG13 ILE 58 1HG1 ILE 58 -2.255 -8.261 -12.038 463 HG21 ILE 58 1HG2 ILE 58 -1.469 -9.861 -9.937 464 HG22 ILE 58 2HG2 ILE 58 -2.483 -9.825 -8.496 465 HG23 ILE 58 3HG2 ILE 58 -1.512 -8.417 -8.918 466 HD11 ILE 58 3HD1 ILE 58 -4.491 -7.434 -12.441 467 HD12 ILE 58 1HD1 ILE 58 -3.306 -6.135 -12.584 468 HD13 ILE 58 2HD1 ILE 58 -4.315 -6.258 -11.137 469 H LEU 59 H LEU 59 -5.831 -9.710 -8.890 470 HA LEU 59 HA LEU 59 -4.654 -11.393 -6.975 471 HB2 LEU 59 2HB LEU 59 -6.626 -9.527 -6.924 472 HB3 LEU 59 1HB LEU 59 -7.595 -10.950 -6.836 473 HG LEU 59 HG LEU 59 -6.315 -11.681 -4.798 474 HD11 LEU 59 1HD1 LEU 59 -5.073 -8.918 -4.959 475 HD12 LEU 59 2HD1 LEU 59 -4.239 -10.462 -5.163 476 HD13 LEU 59 3HD1 LEU 59 -4.931 -10.040 -3.600 477 HD21 LEU 59 3HD2 LEU 59 -7.424 -10.142 -3.247 478 HD22 LEU 59 1HD2 LEU 59 -8.492 -10.571 -4.581 479 HD23 LEU 59 2HD2 LEU 59 -7.703 -8.991 -4.557 480 H GLU 60 H GLU 60 -7.165 -11.996 -9.359 481 HA GLU 60 HA GLU 60 -8.099 -14.452 -8.387 482 HB2 GLU 60 2HB GLU 60 -8.361 -12.945 -10.990 483 HB3 GLU 60 1HB GLU 60 -9.063 -14.520 -10.799 484 HG2 GLU 60 2HG GLU 60 -10.514 -13.782 -9.048 485 HG3 GLU 60 1HG GLU 60 -9.698 -12.226 -8.991 486 H LYS 61 H LYS 61 -5.278 -13.681 -10.086 487 HA LYS 61 HA LYS 61 -4.781 -16.500 -10.832 488 HB2 LYS 61 2HB LYS 61 -3.181 -15.661 -12.559 489 HB3 LYS 61 1HB LYS 61 -4.857 -15.220 -12.872 490 HG2 LYS 61 2HG LYS 61 -4.392 -12.975 -11.914 491 HG3 LYS 61 1HG LYS 61 -2.698 -13.429 -11.750 492 HD2 LYS 61 2HD LYS 61 -4.238 -13.314 -14.377 493 HD3 LYS 61 1HD LYS 61 -3.176 -12.040 -13.778 494 HE2 LYS 61 2HE LYS 61 -2.280 -14.872 -14.433 495 HE3 LYS 61 1HE LYS 61 -2.093 -13.477 -15.496 496 HZ1 LYS 61 3HZ LYS 61 -0.692 -12.433 -13.839 497 HZ2 LYS 61 1HZ LYS 61 -0.071 -13.943 -14.276 498 HZ3 LYS 61 2HZ LYS 61 -0.877 -13.757 -12.804 499 H GLN 62 H GLN 62 -4.193 -14.364 -8.495 500 HA GLN 62 HA GLN 62 -1.392 -14.932 -8.007 501 HB2 GLN 62 2HB GLN 62 -3.514 -13.595 -6.302 502 HB3 GLN 62 1HB GLN 62 -1.876 -13.818 -5.780 503 HG2 GLN 62 2HG GLN 62 -2.881 -12.075 -7.975 504 HG3 GLN 62 1HG GLN 62 -2.092 -11.581 -6.496 505 HE21 GLN 62 1HE2 GLN 62 -1.695 -12.890 -9.659 506 HE22 GLN 62 2HE2 GLN 62 0.013 -12.794 -9.728 507 H GLY 63 H GLY 63 -4.506 -16.324 -7.122 508 HA2 GLY 63 2HA GLY 63 -4.797 -18.335 -5.836 509 HA3 GLY 63 1HA GLY 63 -3.177 -18.134 -5.206 510 H GLU 64 H GLU 64 -4.468 -18.601 -3.214 511 HA GLU 64 HA GLU 64 -5.831 -16.272 -2.050 512 HB2 GLU 64 2HB GLU 64 -5.387 -19.069 -0.975 513 HB3 GLU 64 1HB GLU 64 -6.299 -17.820 -0.141 514 HG2 GLU 64 2HG GLU 64 -7.900 -19.283 -1.129 515 HG3 GLU 64 1HG GLU 64 -7.901 -17.815 -2.101 516 H PHE 65 H PHE 65 -5.067 -15.232 -0.244 517 HA PHE 65 HA PHE 65 -2.254 -14.953 0.052 518 HB2 PHE 65 2HB PHE 65 -3.351 -12.935 0.411 519 HB3 PHE 65 1HB PHE 65 -4.679 -13.688 1.278 520 HD1 PHE 65 1HD PHE 65 -0.967 -13.478 1.919 521 HD2 PHE 65 2HD PHE 65 -4.912 -12.710 3.371 522 HE1 PHE 65 1HE PHE 65 -0.039 -12.630 4.015 523 HE2 PHE 65 2HE PHE 65 -3.963 -11.876 5.475 524 HZ PHE 65 HZ PHE 65 -1.527 -11.837 5.799 525 H LYS 66 H LYS 66 -0.943 -16.140 1.241 526 HA LYS 66 HA LYS 66 -1.971 -17.860 3.430 527 HB2 LYS 66 2HB LYS 66 0.717 -18.161 2.013 528 HB3 LYS 66 1HB LYS 66 -0.147 -19.361 2.976 529 HG2 LYS 66 2HG LYS 66 -0.916 -18.352 0.211 530 HG3 LYS 66 1HG LYS 66 -0.236 -19.933 0.606 531 HD2 LYS 66 2HD LYS 66 -2.946 -18.912 1.554 532 HD3 LYS 66 1HD LYS 66 -2.698 -19.985 0.178 533 HE2 LYS 66 2HE LYS 66 -1.794 -21.717 1.673 534 HE3 LYS 66 1HE LYS 66 -1.981 -20.639 3.060 535 HZ1 LYS 66 3HZ LYS 66 -4.347 -20.643 2.728 536 HZ2 LYS 66 1HZ LYS 66 -3.796 -22.235 2.849 537 HZ3 LYS 66 2HZ LYS 66 -4.195 -21.596 1.342 538 H GLU 67 H GLU 67 0.545 -15.576 2.510 539 HA GLU 67 HA GLU 67 1.406 -14.957 5.205 540 HB2 GLU 67 2HB GLU 67 2.575 -17.056 4.877 541 HB3 GLU 67 1HB GLU 67 2.958 -16.665 3.208 542 HG2 GLU 67 2HG GLU 67 4.962 -16.478 4.315 543 HG3 GLU 67 1HG GLU 67 4.460 -14.824 4.115 544 H PHE 68 H PHE 68 2.774 -13.045 5.205 545 HA PHE 68 HA PHE 68 2.990 -11.562 2.675 546 HB2 PHE 68 2HB PHE 68 3.451 -10.750 5.569 547 HB3 PHE 68 1HB PHE 68 3.943 -9.718 4.233 548 HD1 PHE 68 2HD PHE 68 1.980 -9.488 2.362 549 HD2 PHE 68 1HD PHE 68 1.362 -10.152 6.551 550 HE1 PHE 68 2HE PHE 68 -0.267 -8.555 2.172 551 HE2 PHE 68 1HE PHE 68 -0.900 -9.197 6.346 552 HZ PHE 68 HZ PHE 68 -1.715 -8.392 4.164 553 H GLY 69 H GLY 69 5.059 -10.510 2.212 554 HA2 GLY 69 2HA GLY 69 7.261 -12.492 2.365 555 HA3 GLY 69 1HA GLY 69 6.850 -11.535 0.964 556 H LYS 70 H LYS 70 8.976 -10.895 0.877 557 HA LYS 70 HA LYS 70 10.472 -9.513 2.786 558 HB2 LYS 70 2HB LYS 70 10.483 -9.559 -0.245 559 HB3 LYS 70 1HB LYS 70 11.666 -8.609 0.672 560 HG2 LYS 70 2HG LYS 70 12.386 -10.716 1.823 561 HG3 LYS 70 1HG LYS 70 11.283 -11.618 0.772 562 HD2 LYS 70 2HD LYS 70 12.521 -10.812 -1.211 563 HD3 LYS 70 1HD LYS 70 13.600 -9.890 -0.158 564 HE2 LYS 70 2HE LYS 70 13.318 -12.920 -0.105 565 HE3 LYS 70 1HE LYS 70 14.587 -12.048 -0.967 566 HZ1 LYS 70 3HZ LYS 70 15.310 -12.850 1.206 567 HZ2 LYS 70 1HZ LYS 70 14.128 -11.910 1.967 568 HZ3 LYS 70 2HZ LYS 70 15.382 -11.164 1.111 569 H CYS 71 H CYS 71 10.971 -7.278 2.980 570 HA CYS 71 HA CYS 71 9.042 -5.345 1.891 571 HB2 CYS 71 2HB CYS 71 9.678 -5.441 4.846 572 HB3 CYS 71 1HB CYS 71 8.563 -4.375 4.042 573 HG CYS 71 HG CYS 71 7.450 -7.256 3.278 574 H THR 72 H THR 72 10.161 -3.749 1.045 575 HA THR 72 HA THR 72 12.703 -2.846 2.288 576 HB THR 72 HB THR 72 12.048 -2.813 -0.662 577 HG1 THR 72 1HG THR 72 13.017 -4.807 0.899 578 HG21 THR 72 3HG2 THR 72 13.601 -1.022 -0.045 579 HG22 THR 72 1HG2 THR 72 14.448 -2.265 -0.969 580 HG23 THR 72 2HG2 THR 72 14.640 -2.185 0.785 581 H TYR 73 H TYR 73 12.357 -0.892 3.129 582 HA TYR 73 HA TYR 73 9.962 0.576 2.553 583 HB2 TYR 73 2HB TYR 73 12.186 1.463 4.435 584 HB3 TYR 73 1HB TYR 73 10.565 2.070 4.338 585 HD1 TYR 73 1HD TYR 73 8.631 0.621 4.887 586 HD2 TYR 73 2HD TYR 73 12.636 -0.507 5.833 587 HE1 TYR 73 1HE TYR 73 7.782 -1.028 6.497 588 HE2 TYR 73 2HE TYR 73 11.784 -2.165 7.441 589 HH TYR 73 HH TYR 73 9.576 -2.443 8.812 590 H LEU 74 H LEU 74 9.742 2.466 1.638 591 HA LEU 74 HA LEU 74 11.943 3.660 0.099 592 HB2 LEU 74 2HB LEU 74 8.958 4.251 -0.075 593 HB3 LEU 74 1HB LEU 74 10.206 4.806 -1.173 594 HG LEU 74 HG LEU 74 8.979 3.144 -2.277 595 HD11 LEU 74 1HD1 LEU 74 11.526 1.792 -1.368 596 HD12 LEU 74 2HD1 LEU 74 11.411 3.014 -2.644 597 HD13 LEU 74 3HD1 LEU 74 10.629 1.446 -2.852 598 HD21 LEU 74 3HD2 LEU 74 8.560 0.884 -1.547 599 HD22 LEU 74 1HD2 LEU 74 7.856 2.063 -0.446 600 HD23 LEU 74 2HD2 LEU 74 9.349 1.228 -0.005 601 H GLY 75 H GLY 75 11.980 5.979 0.043 602 HA2 GLY 75 2HA GLY 75 10.494 7.448 2.140 603 HA3 GLY 75 1HA GLY 75 12.187 7.829 1.735 604 H GLN 76 H GLN 76 10.081 9.686 1.432 605 HA GLN 76 HA GLN 76 10.850 10.591 -1.126 606 HB2 GLN 76 2HB GLN 76 8.220 10.872 -1.766 607 HB3 GLN 76 1HB GLN 76 9.156 9.487 -2.297 608 HG2 GLN 76 2HG GLN 76 8.193 8.144 -0.519 609 HG3 GLN 76 1HG GLN 76 7.374 9.547 0.142 610 HE21 GLN 76 1HE2 GLN 76 5.860 7.465 -0.299 611 HE22 GLN 76 2HE2 GLN 76 4.868 7.647 -1.699 612 H ILE 77 H ILE 77 10.703 12.773 -1.269 613 HA ILE 77 HA ILE 77 8.880 14.235 0.555 614 HB ILE 77 HB ILE 77 11.586 15.229 -0.460 615 HG12 ILE 77 2HG1 ILE 77 11.940 15.471 2.163 616 HG13 ILE 77 1HG1 ILE 77 10.648 14.289 2.269 617 HG21 ILE 77 1HG2 ILE 77 9.947 17.067 -0.436 618 HG22 ILE 77 2HG2 ILE 77 11.170 17.299 0.817 619 HG23 ILE 77 3HG2 ILE 77 9.561 16.711 1.252 620 HD11 ILE 77 3HD1 ILE 77 12.698 13.155 2.416 621 HD12 ILE 77 1HD1 ILE 77 13.334 13.965 0.985 622 HD13 ILE 77 2HD1 ILE 77 12.024 12.783 0.817 623 H LYS 78 H LYS 78 7.421 15.388 -0.451 624 HA LYS 78 HA LYS 78 7.529 15.788 -3.387 625 HB2 LYS 78 2HB LYS 78 5.775 14.260 -2.518 626 HB3 LYS 78 1HB LYS 78 5.181 15.532 -1.488 627 HG2 LYS 78 2HG LYS 78 5.002 16.711 -3.985 628 HG3 LYS 78 1HG LYS 78 4.672 15.020 -4.355 629 HD2 LYS 78 2HD LYS 78 2.560 16.078 -3.912 630 HD3 LYS 78 1HD LYS 78 2.919 15.036 -2.531 631 HE2 LYS 78 2HE LYS 78 2.104 17.122 -1.631 632 HE3 LYS 78 1HE LYS 78 3.858 17.111 -1.359 633 HZ1 LYS 78 3HZ LYS 78 2.433 18.525 -3.547 634 HZ2 LYS 78 1HZ LYS 78 4.112 18.466 -3.356 635 HZ3 LYS 78 2HZ LYS 78 3.159 19.228 -2.190 636 H ASP 79 H ASP 79 8.413 17.795 -3.445 637 HA ASP 79 HA ASP 79 8.588 20.017 -3.522 638 HB2 ASP 79 2HB ASP 79 5.740 20.029 -2.437 639 HB3 ASP 79 1HB ASP 79 6.608 21.473 -2.940 640 H ASN 80 H ASN 80 6.731 19.553 -0.471 641 HA ASN 80 HA ASN 80 9.028 20.318 1.165 642 HB2 ASN 80 2HB ASN 80 6.481 21.926 0.984 643 HB3 ASN 80 1HB ASN 80 7.411 21.937 2.465 644 HD21 ASN 80 1HD2 ASN 80 6.782 24.118 0.584 645 HD22 ASN 80 2HD2 ASN 80 8.309 24.787 0.131 646 H LYS 81 H LYS 81 6.600 18.304 0.536 647 HA LYS 81 HA LYS 81 5.670 17.808 3.277 648 HB2 LYS 81 2HB LYS 81 4.179 18.003 1.047 649 HB3 LYS 81 1HB LYS 81 4.625 16.336 0.877 650 HG2 LYS 81 2HG LYS 81 2.585 16.284 1.980 651 HG3 LYS 81 1HG LYS 81 3.805 16.023 3.199 652 HD2 LYS 81 2HD LYS 81 3.656 18.491 3.778 653 HD3 LYS 81 1HD LYS 81 2.252 18.572 2.707 654 HE2 LYS 81 2HE LYS 81 2.536 17.042 5.314 655 HE3 LYS 81 1HE LYS 81 1.394 18.324 4.923 656 HZ1 LYS 81 3HZ LYS 81 1.397 15.588 3.770 657 HZ2 LYS 81 1HZ LYS 81 0.293 16.810 3.382 658 HZ3 LYS 81 2HZ LYS 81 0.336 16.170 4.942 659 H LYS 82 H LYS 82 5.698 15.499 4.006 660 HA LYS 82 HA LYS 82 7.900 13.947 2.772 661 HB2 LYS 82 2HB LYS 82 7.460 14.376 5.736 662 HB3 LYS 82 1HB LYS 82 8.613 13.223 5.059 663 HG2 LYS 82 2HG LYS 82 9.780 15.106 3.931 664 HG3 LYS 82 1HG LYS 82 8.657 16.237 4.693 665 HD2 LYS 82 2HD LYS 82 9.471 15.448 6.933 666 HD3 LYS 82 1HD LYS 82 10.653 14.426 6.101 667 HE2 LYS 82 2HE LYS 82 11.680 16.421 5.097 668 HE3 LYS 82 1HE LYS 82 10.477 17.447 5.885 669 HZ1 LYS 82 3HZ LYS 82 11.332 16.772 8.007 670 HZ2 LYS 82 1HZ LYS 82 12.576 17.415 7.066 671 HZ3 LYS 82 2HZ LYS 82 12.453 15.742 7.281 672 H TYR 83 H TYR 83 7.681 11.887 2.602 673 HA TYR 83 HA TYR 83 5.247 10.466 3.429 674 HB2 TYR 83 2HB TYR 83 6.328 10.748 0.591 675 HB3 TYR 83 1HB TYR 83 5.018 9.695 1.031 676 HD1 TYR 83 1HD TYR 83 2.816 10.676 1.661 677 HD2 TYR 83 2HD TYR 83 5.976 13.142 0.236 678 HE1 TYR 83 1HE TYR 83 1.217 12.438 1.189 679 HE2 TYR 83 2HE TYR 83 4.356 14.902 -0.282 680 HH TYR 83 HH TYR 83 1.172 14.843 0.867 681 H GLY 84 H GLY 84 5.562 8.170 3.468 682 HA2 GLY 84 2HA GLY 84 8.320 7.106 3.067 683 HA3 GLY 84 1HA GLY 84 7.442 6.834 4.568 684 H GLY 85 H GLY 85 8.417 4.891 2.454 685 HA2 GLY 85 2HA GLY 85 5.830 3.643 1.691 686 HA3 GLY 85 1HA GLY 85 7.261 3.625 0.687 687 H VAL 86 H VAL 86 6.118 1.316 1.097 688 HA VAL 86 HA VAL 86 8.382 -0.175 2.096 689 HB VAL 86 HB VAL 86 7.028 -0.258 4.118 690 HG11 VAL 86 1HG1 VAL 86 4.712 -1.287 2.438 691 HG12 VAL 86 2HG1 VAL 86 4.819 0.305 3.195 692 HG13 VAL 86 3HG1 VAL 86 4.730 -1.143 4.200 693 HG21 VAL 86 3HG2 VAL 86 6.809 -2.904 2.635 694 HG22 VAL 86 1HG2 VAL 86 6.714 -2.693 4.385 695 HG23 VAL 86 2HG2 VAL 86 8.215 -2.330 3.535 696 H ILE 87 H ILE 87 8.816 -1.739 0.588 697 HA ILE 87 HA ILE 87 6.752 -2.474 -1.393 698 HB ILE 87 HB ILE 87 9.731 -3.153 -1.412 699 HG12 ILE 87 2HG1 ILE 87 8.221 -1.302 -3.313 700 HG13 ILE 87 1HG1 ILE 87 9.072 -0.715 -1.901 701 HG21 ILE 87 1HG2 ILE 87 8.396 -4.933 -2.499 702 HG22 ILE 87 2HG2 ILE 87 9.321 -4.039 -3.710 703 HG23 ILE 87 3HG2 ILE 87 7.593 -3.729 -3.512 704 HD11 ILE 87 3HD1 ILE 87 10.406 -0.416 -3.889 705 HD12 ILE 87 1HD1 ILE 87 10.300 -2.137 -4.258 706 HD13 ILE 87 2HD1 ILE 87 11.179 -1.592 -2.826 707 H ILE 88 H ILE 88 5.528 -3.606 0.116 708 HA ILE 88 HA ILE 88 6.749 -5.938 1.400 709 HB ILE 88 HB ILE 88 5.522 -4.613 2.964 710 HG12 ILE 88 2HG1 ILE 88 3.845 -7.084 2.308 711 HG13 ILE 88 1HG1 ILE 88 5.379 -7.110 3.169 712 HG21 ILE 88 1HG2 ILE 88 3.059 -4.847 1.187 713 HG22 ILE 88 2HG2 ILE 88 4.028 -3.389 1.438 714 HG23 ILE 88 3HG2 ILE 88 3.122 -4.087 2.781 715 HD11 ILE 88 3HD1 ILE 88 4.376 -5.792 4.968 716 HD12 ILE 88 1HD1 ILE 88 3.535 -7.316 4.682 717 HD13 ILE 88 2HD1 ILE 88 2.835 -5.806 4.100 718 H VAL 89 H VAL 89 6.871 -7.506 0.081 719 HA VAL 89 HA VAL 89 5.165 -8.426 -1.905 720 HB VAL 89 HB VAL 89 7.306 -9.746 -0.168 721 HG11 VAL 89 1HG1 VAL 89 7.411 -11.584 -1.775 722 HG12 VAL 89 2HG1 VAL 89 6.004 -10.920 -2.625 723 HG13 VAL 89 3HG1 VAL 89 5.840 -11.520 -0.971 724 HG21 VAL 89 3HG2 VAL 89 8.060 -7.971 -1.719 725 HG22 VAL 89 1HG2 VAL 89 7.365 -8.895 -3.063 726 HG23 VAL 89 2HG2 VAL 89 8.718 -9.560 -2.132 727 H VAL 90 H VAL 90 3.855 -10.320 -1.821 728 HA VAL 90 HA VAL 90 3.084 -11.412 0.772 729 HB VAL 90 HB VAL 90 1.377 -9.754 0.547 730 HG11 VAL 90 1HG1 VAL 90 1.654 -9.122 -1.707 731 HG12 VAL 90 2HG1 VAL 90 -0.047 -9.453 -1.357 732 HG13 VAL 90 3HG1 VAL 90 0.920 -10.635 -2.249 733 HG21 VAL 90 3HG2 VAL 90 -0.703 -11.058 0.421 734 HG22 VAL 90 1HG2 VAL 90 0.544 -11.952 1.296 735 HG23 VAL 90 2HG2 VAL 90 0.168 -12.371 -0.376 736 H LYS 91 H LYS 91 3.151 -13.499 0.675 737 HA LYS 91 HA LYS 91 3.472 -14.919 -1.824 738 HB2 LYS 91 2HB LYS 91 3.413 -16.051 0.998 739 HB3 LYS 91 1HB LYS 91 4.135 -16.781 -0.440 740 HG2 LYS 91 2HG LYS 91 5.878 -15.065 -0.473 741 HG3 LYS 91 1HG LYS 91 5.104 -14.218 0.874 742 HD2 LYS 91 2HD LYS 91 5.480 -16.309 2.271 743 HD3 LYS 91 1HD LYS 91 6.444 -16.951 0.939 744 HE2 LYS 91 2HE LYS 91 8.000 -15.054 1.151 745 HE3 LYS 91 1HE LYS 91 7.014 -14.379 2.448 746 HZ1 LYS 91 3HZ LYS 91 7.509 -16.291 3.792 747 HZ2 LYS 91 1HZ LYS 91 8.943 -15.566 3.273 748 HZ3 LYS 91 2HZ LYS 91 8.406 -16.996 2.546 749 H TYR 92 H TYR 92 1.383 -14.702 -2.713 750 HA TYR 92 HA TYR 92 -0.872 -16.120 -1.577 751 HB2 TYR 92 2HB TYR 92 -0.314 -15.059 -4.378 752 HB3 TYR 92 1HB TYR 92 -1.799 -15.896 -3.951 753 HD1 TYR 92 1HD TYR 92 0.111 -12.767 -3.532 754 HD2 TYR 92 2HD TYR 92 -3.515 -14.787 -2.613 755 HE1 TYR 92 1HE TYR 92 -0.914 -10.660 -2.836 756 HE2 TYR 92 2HE TYR 92 -4.516 -12.677 -1.909 757 HH TYR 92 HH TYR 92 -3.177 -9.684 -2.649 758 H GLU 93 H GLU 93 -1.829 -17.892 -3.140 759 HA GLU 93 HA GLU 93 -0.226 -20.173 -2.977 760 HB2 GLU 93 2HB GLU 93 -2.929 -19.534 -4.107 761 HB3 GLU 93 1HB GLU 93 -2.220 -21.057 -4.587 762 HG2 GLU 93 2HG GLU 93 -2.761 -20.149 -1.746 763 HG3 GLU 93 1HG GLU 93 -3.682 -21.351 -2.658 764 H GLU 94 H GLU 94 -0.193 -17.861 -5.483 765 HA GLU 94 HA GLU 94 1.383 -19.635 -7.237 766 HB2 GLU 94 2HB GLU 94 -0.719 -17.696 -8.302 767 HB3 GLU 94 1HB GLU 94 0.267 -18.808 -9.254 768 HG2 GLU 94 2HG GLU 94 -0.895 -20.719 -8.283 769 HG3 GLU 94 1HG GLU 94 -1.817 -19.663 -7.214 770 H GLY 95 H GLY 95 0.590 -16.331 -6.188 771 HA2 GLY 95 2HA GLY 95 2.943 -15.269 -7.678 772 HA3 GLY 95 1HA GLY 95 1.398 -14.450 -7.633 773 H ASN 96 H ASN 96 4.096 -13.614 -6.807 774 HA ASN 96 HA ASN 96 3.585 -12.688 -4.036 775 HB2 ASN 96 2HB ASN 96 5.983 -12.039 -5.810 776 HB3 ASN 96 1HB ASN 96 5.784 -11.652 -4.119 777 HD21 ASN 96 1HD2 ASN 96 7.717 -12.635 -3.591 778 HD22 ASN 96 2HD2 ASN 96 7.891 -14.347 -3.522 779 H VAL 97 H VAL 97 2.591 -10.751 -3.821 780 HA VAL 97 HA VAL 97 2.697 -8.888 -6.120 781 HB VAL 97 HB VAL 97 0.796 -8.629 -3.759 782 HG11 VAL 97 1HG1 VAL 97 0.713 -7.463 -6.568 783 HG12 VAL 97 2HG1 VAL 97 1.132 -6.597 -5.086 784 HG13 VAL 97 3HG1 VAL 97 -0.505 -7.210 -5.312 785 HG21 VAL 97 3HG2 VAL 97 -0.982 -9.646 -5.118 786 HG22 VAL 97 1HG2 VAL 97 0.314 -10.783 -4.744 787 HG23 VAL 97 2HG2 VAL 97 0.205 -10.067 -6.359 788 H ASN 98 H ASN 98 4.176 -7.381 -5.900 789 HA ASN 98 HA ASN 98 5.413 -6.862 -3.300 790 HB2 ASN 98 2HB ASN 98 6.191 -5.982 -6.131 791 HB3 ASN 98 1HB ASN 98 7.116 -5.598 -4.688 792 HD21 ASN 98 1HD2 ASN 98 5.605 -8.738 -5.506 793 HD22 ASN 98 2HD2 ASN 98 7.095 -9.591 -5.612 794 H TYR 99 H TYR 99 3.508 -5.764 -2.495 795 HA TYR 99 HA TYR 99 2.390 -3.420 -3.684 796 HB2 TYR 99 2HB TYR 99 2.263 -4.517 -0.859 797 HB3 TYR 99 1HB TYR 99 1.405 -3.075 -1.356 798 HD1 TYR 99 2HD TYR 99 -0.426 -3.274 -3.135 799 HD2 TYR 99 1HD TYR 99 1.316 -6.676 -1.231 800 HE1 TYR 99 2HE TYR 99 -2.426 -4.611 -3.682 801 HE2 TYR 99 1HE TYR 99 -0.668 -7.988 -1.773 802 HH TYR 99 HH TYR 99 -3.054 -7.604 -2.229 803 H SER 100 H SER 100 4.004 -1.828 -4.069 804 HA SER 100 HA SER 100 5.679 -0.834 -1.928 805 HB2 SER 100 2HB SER 100 6.236 -0.718 -4.438 806 HB3 SER 100 1HB SER 100 5.089 0.585 -4.548 807 HG SER 100 HG SER 100 7.564 0.827 -3.949 808 H LEU 101 H LEU 101 3.872 -0.622 -0.442 809 HA LEU 101 HA LEU 101 1.852 1.414 -0.938 810 HB2 LEU 101 2HB LEU 101 2.304 -0.301 1.512 811 HB3 LEU 101 1HB LEU 101 0.972 0.825 1.313 812 HG LEU 101 HG LEU 101 1.466 -1.777 -0.066 813 HD11 LEU 101 1HD1 LEU 101 -0.989 -0.647 1.240 814 HD12 LEU 101 2HD1 LEU 101 0.098 -1.861 1.916 815 HD13 LEU 101 3HD1 LEU 101 -0.870 -2.248 0.498 816 HD21 LEU 101 3HD2 LEU 101 -0.379 0.306 -1.172 817 HD22 LEU 101 1HD2 LEU 101 -0.293 -1.385 -1.690 818 HD23 LEU 101 2HD2 LEU 101 1.091 -0.320 -1.931 819 H ALA 102 H ALA 102 1.971 3.354 -0.359 820 HA ALA 102 HA ALA 102 3.997 4.364 1.523 821 HB1 ALA 102 1HB ALA 102 4.880 5.957 -0.137 822 HB2 ALA 102 2HB ALA 102 3.808 5.279 -1.363 823 HB3 ALA 102 3HB ALA 102 5.104 4.292 -0.687 824 H TYR 103 H TYR 103 3.525 6.282 2.434 825 HA TYR 103 HA TYR 103 0.783 7.305 2.204 826 HB2 TYR 103 2HB TYR 103 1.554 7.009 5.043 827 HB3 TYR 103 1HB TYR 103 0.139 6.447 4.196 828 HD1 TYR 103 1HD TYR 103 3.720 5.506 4.662 829 HD2 TYR 103 2HD TYR 103 -0.300 4.165 4.144 830 HE1 TYR 103 1HE TYR 103 4.457 3.201 4.883 831 HE2 TYR 103 2HE TYR 103 0.440 1.844 4.395 832 HH TYR 103 HH TYR 103 2.684 0.646 3.910 833 H ASP 104 H ASP 104 0.643 9.256 3.739 834 HA ASP 104 HA ASP 104 3.086 10.878 3.737 835 HB2 ASP 104 2HB ASP 104 0.944 11.840 3.065 836 HB3 ASP 104 1HB ASP 104 0.236 11.520 4.558 837 H GLU 105 H GLU 105 3.355 12.231 5.853 838 HA GLU 105 HA GLU 105 3.669 10.608 8.185 839 HB2 GLU 105 2HB GLU 105 3.642 13.634 7.845 840 HB3 GLU 105 1HB GLU 105 4.041 12.817 9.357 841 HG2 GLU 105 2HG GLU 105 5.923 11.679 8.239 842 HG3 GLU 105 1HG GLU 105 5.555 12.526 6.742 843 H ASP 106 H ASP 106 0.893 12.028 6.741 844 HA ASP 106 HA ASP 106 -0.736 12.122 9.160 845 HB2 ASP 106 2HB ASP 106 -1.194 13.538 7.123 846 HB3 ASP 106 1HB ASP 106 -1.582 12.073 6.236 847 H MET 107 H MET 107 0.401 9.741 6.928 848 HA MET 107 HA MET 107 0.468 7.496 7.061 849 HB2 MET 107 2HB MET 107 0.480 7.495 9.455 850 HB3 MET 107 1HB MET 107 -1.212 7.931 9.563 851 HG2 MET 107 2HG MET 107 -1.925 5.767 9.336 852 HG3 MET 107 1HG MET 107 -0.580 5.319 8.296 853 HE1 MET 107 3HE MET 107 1.403 4.013 9.043 854 HE2 MET 107 1HE MET 107 2.155 4.165 10.633 855 HE3 MET 107 2HE MET 107 2.043 5.573 9.579 856 H ASN 108 H ASN 108 -1.824 9.301 5.933 857 HA ASN 108 HA ASN 108 -3.794 7.381 5.089 858 HB2 ASN 108 2HB ASN 108 -4.317 9.290 3.406 859 HB3 ASN 108 1HB ASN 108 -4.646 9.590 5.080 860 HD21 ASN 108 1HD2 ASN 108 -4.616 11.800 4.608 861 HD22 ASN 108 2HD2 ASN 108 -3.149 12.656 4.355 862 H LEU 109 H LEU 109 -3.697 6.168 3.225 863 HA LEU 109 HA LEU 109 -1.182 5.784 1.973 864 HB2 LEU 109 2HB LEU 109 -3.799 4.531 1.711 865 HB3 LEU 109 1HB LEU 109 -3.071 4.770 0.126 866 HG LEU 109 HG LEU 109 -1.994 3.106 2.432 867 HD11 LEU 109 1HD1 LEU 109 -3.578 2.091 0.897 868 HD12 LEU 109 2HD1 LEU 109 -1.971 1.372 0.774 869 HD13 LEU 109 3HD1 LEU 109 -2.524 2.524 -0.449 870 HD21 LEU 109 3HD2 LEU 109 0.012 2.674 1.095 871 HD22 LEU 109 1HD2 LEU 109 -0.090 4.373 1.566 872 HD23 LEU 109 2HD2 LEU 109 -0.512 3.895 -0.089 873 H VAL 110 H VAL 110 -0.452 6.455 0.062 874 HA VAL 110 HA VAL 110 -1.726 8.761 -1.190 875 HB VAL 110 HB VAL 110 0.085 9.069 0.818 876 HG11 VAL 110 1HG1 VAL 110 2.322 9.615 -0.005 877 HG12 VAL 110 2HG1 VAL 110 1.869 9.121 -1.634 878 HG13 VAL 110 3HG1 VAL 110 1.930 7.929 -0.337 879 HG21 VAL 110 3HG2 VAL 110 -1.256 10.819 -0.298 880 HG22 VAL 110 1HG2 VAL 110 -0.013 10.956 -1.538 881 HG23 VAL 110 2HG2 VAL 110 0.361 11.346 0.146 882 H SER 111 H SER 111 0.119 5.948 -1.389 883 HA SER 111 HA SER 111 0.327 5.973 -4.260 884 HB2 SER 111 2HB SER 111 2.864 5.942 -2.553 885 HB3 SER 111 1HB SER 111 2.811 5.555 -4.273 886 HG SER 111 HG SER 111 1.721 7.815 -4.286 887 H PHE 112 H PHE 112 -1.266 4.325 -3.400 888 HA PHE 112 HA PHE 112 -0.168 1.749 -2.655 889 HB2 PHE 112 2HB PHE 112 -2.474 2.110 -2.088 890 HB3 PHE 112 1HB PHE 112 -2.889 2.677 -3.685 891 HD1 PHE 112 2HD PHE 112 -3.168 0.954 -5.577 892 HD2 PHE 112 1HD PHE 112 -2.488 -0.255 -1.525 893 HE1 PHE 112 2HE PHE 112 -3.959 -1.314 -6.109 894 HE2 PHE 112 1HE PHE 112 -3.281 -2.512 -2.079 895 HZ PHE 112 HZ PHE 112 -4.014 -3.052 -4.365 896 H THR 113 H THR 113 1.297 0.972 -4.050 897 HA THR 113 HA THR 113 0.490 0.546 -6.871 898 HB THR 113 HB THR 113 2.996 0.550 -7.432 899 HG1 THR 113 1HG THR 113 3.089 1.637 -4.810 900 HG21 THR 113 3HG2 THR 113 3.258 2.979 -7.534 901 HG22 THR 113 1HG2 THR 113 1.896 3.185 -6.424 902 HG23 THR 113 2HG2 THR 113 1.631 2.502 -8.031 903 H MET 114 H MET 114 1.358 -1.402 -7.776 904 HA MET 114 HA MET 114 2.594 -3.352 -6.061 905 HB2 MET 114 2HB MET 114 0.641 -5.030 -6.742 906 HB3 MET 114 1HB MET 114 0.527 -4.034 -5.305 907 HG2 MET 114 2HG MET 114 -0.973 -2.510 -6.377 908 HG3 MET 114 1HG MET 114 -0.725 -3.265 -7.951 909 HE1 MET 114 3HE MET 114 -1.909 -5.356 -8.798 910 HE2 MET 114 1HE MET 114 -2.602 -6.576 -7.731 911 HE3 MET 114 2HE MET 114 -0.872 -6.242 -7.679 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 13.847 18.149 -3.450 2 H2 GLY 1 2HT GLY 1 13.940 16.692 -2.600 3 H3 GLY 1 3HT GLY 1 13.011 16.792 -4.005 4 HA2 GLY 1 1HA GLY 1 14.979 17.166 -5.330 5 HA3 GLY 1 2HA GLY 1 15.959 17.080 -3.872 6 H GLU 2 H GLU 2 15.689 14.997 -2.579 7 HA GLU 2 HA GLU 2 15.902 12.719 -4.426 8 HB2 GLU 2 2HB GLU 2 17.768 13.146 -2.865 9 HB3 GLU 2 1HB GLU 2 16.676 13.009 -1.498 10 HG2 GLU 2 2HG GLU 2 18.001 10.981 -1.695 11 HG3 GLU 2 1HG GLU 2 16.308 10.618 -2.013 12 H ILE 3 H ILE 3 14.608 11.000 -4.365 13 HA ILE 3 HA ILE 3 12.423 10.722 -2.392 14 HB ILE 3 HB ILE 3 12.861 9.256 -5.056 15 HG12 ILE 3 2HG1 ILE 3 12.394 11.698 -5.412 16 HG13 ILE 3 1HG1 ILE 3 11.123 10.674 -6.055 17 HG21 ILE 3 1HG2 ILE 3 10.409 9.288 -3.261 18 HG22 ILE 3 2HG2 ILE 3 11.529 7.940 -3.461 19 HG23 ILE 3 3HG2 ILE 3 10.534 8.467 -4.822 20 HD11 ILE 3 3HD1 ILE 3 11.040 12.284 -3.511 21 HD12 ILE 3 1HD1 ILE 3 9.758 11.193 -4.053 22 HD13 ILE 3 2HD1 ILE 3 10.180 12.605 -5.017 23 H LEU 4 H LEU 4 13.054 9.469 -0.711 24 HA LEU 4 HA LEU 4 15.625 8.319 -0.608 25 HB2 LEU 4 2HB LEU 4 13.366 7.953 1.397 26 HB3 LEU 4 1HB LEU 4 15.076 7.705 1.692 27 HG LEU 4 HG LEU 4 14.561 9.725 2.734 28 HD11 LEU 4 1HD1 LEU 4 15.720 10.594 0.100 29 HD12 LEU 4 2HD1 LEU 4 16.617 9.899 1.451 30 HD13 LEU 4 3HD1 LEU 4 15.830 11.464 1.635 31 HD21 LEU 4 3HD2 LEU 4 12.362 10.108 1.821 32 HD22 LEU 4 1HD2 LEU 4 13.086 10.743 0.342 33 HD23 LEU 4 2HD2 LEU 4 13.320 11.583 1.880 34 H LYS 5 H LYS 5 16.237 6.174 -0.089 35 HA LYS 5 HA LYS 5 14.725 4.108 -1.487 36 HB2 LYS 5 2HB LYS 5 17.507 3.751 -0.404 37 HB3 LYS 5 1HB LYS 5 16.759 3.036 -1.810 38 HG2 LYS 5 2HG LYS 5 17.878 5.828 -1.525 39 HG3 LYS 5 1HG LYS 5 18.434 4.523 -2.557 40 HD2 LYS 5 2HD LYS 5 16.529 4.740 -4.027 41 HD3 LYS 5 1HD LYS 5 15.753 5.891 -2.933 42 HE2 LYS 5 2HE LYS 5 17.678 7.465 -3.326 43 HE3 LYS 5 1HE LYS 5 18.301 6.336 -4.531 44 HZ1 LYS 5 3HZ LYS 5 16.285 6.629 -5.800 45 HZ2 LYS 5 1HZ LYS 5 17.024 8.125 -5.520 46 HZ3 LYS 5 2HZ LYS 5 15.660 7.677 -4.633 47 H GLU 6 H GLU 6 13.887 5.022 1.172 48 HA GLU 6 HA GLU 6 13.892 2.946 3.029 49 HB2 GLU 6 2HB GLU 6 15.645 3.609 4.613 50 HB3 GLU 6 1HB GLU 6 16.388 3.290 3.043 51 HG2 GLU 6 2HG GLU 6 16.455 5.717 2.578 52 HG3 GLU 6 1HG GLU 6 15.700 6.046 4.149 53 H LEU 7 H LEU 7 13.382 3.918 5.293 54 HA LEU 7 HA LEU 7 11.482 6.053 5.039 55 HB2 LEU 7 2HB LEU 7 12.503 4.564 7.486 56 HB3 LEU 7 1HB LEU 7 11.198 5.749 7.528 57 HG LEU 7 HG LEU 7 11.193 3.049 6.144 58 HD11 LEU 7 1HD1 LEU 7 9.512 4.065 8.432 59 HD12 LEU 7 2HD1 LEU 7 10.867 2.934 8.539 60 HD13 LEU 7 3HD1 LEU 7 9.415 2.479 7.658 61 HD21 LEU 7 3HD2 LEU 7 10.010 4.620 4.714 62 HD22 LEU 7 1HD2 LEU 7 9.029 5.177 6.076 63 HD23 LEU 7 2HD2 LEU 7 8.869 3.520 5.476 64 HA PRO 8 HA PRO 8 14.411 9.411 6.285 65 HB2 PRO 8 2HB PRO 8 12.433 11.373 6.032 66 HB3 PRO 8 1HB PRO 8 13.469 10.828 4.697 67 HG2 PRO 8 2HG PRO 8 10.664 9.994 5.361 68 HG3 PRO 8 1HG PRO 8 11.385 10.352 3.776 69 HD2 PRO 8 2HD PRO 8 11.046 7.810 4.594 70 HD3 PRO 8 1HD PRO 8 12.451 8.271 3.642 71 H GLU 9 H GLU 9 13.415 11.445 7.796 72 HA GLU 9 HA GLU 9 13.565 10.165 10.329 73 HB2 GLU 9 2HB GLU 9 13.194 13.108 9.654 74 HB3 GLU 9 1HB GLU 9 13.553 12.481 11.259 75 HG2 GLU 9 2HG GLU 9 15.632 13.176 10.495 76 HG3 GLU 9 1HG GLU 9 15.642 11.441 10.199 77 H GLY 10 H GLY 10 12.060 9.750 11.830 78 HA2 GLY 10 2HA GLY 10 10.215 10.253 13.176 79 HA3 GLY 10 1HA GLY 10 9.565 11.271 11.906 80 H PHE 11 H PHE 11 10.269 8.690 10.135 81 HA PHE 11 HA PHE 11 7.579 7.525 10.450 82 HB2 PHE 11 2HB PHE 11 9.637 6.937 8.280 83 HB3 PHE 11 1HB PHE 11 7.977 6.410 8.294 84 HD1 PHE 11 1HD PHE 11 10.171 9.225 8.007 85 HD2 PHE 11 2HD PHE 11 6.151 7.952 7.637 86 HE1 PHE 11 1HE PHE 11 9.635 11.341 6.854 87 HE2 PHE 11 2HE PHE 11 5.595 10.038 6.474 88 HZ PHE 11 HZ PHE 11 7.338 11.736 6.095 89 H ASP 12 H ASP 12 7.227 5.706 11.358 90 HA ASP 12 HA ASP 12 9.368 4.106 12.564 91 HB2 ASP 12 2HB ASP 12 6.340 4.104 12.966 92 HB3 ASP 12 1HB ASP 12 7.459 3.099 13.871 93 H LYS 13 H LYS 13 9.959 2.163 11.757 94 HA LYS 13 HA LYS 13 9.172 1.182 9.283 95 HB2 LYS 13 2HB LYS 13 10.606 -0.259 11.552 96 HB3 LYS 13 1HB LYS 13 10.609 -0.729 9.866 97 HG2 LYS 13 2HG LYS 13 11.796 1.337 9.253 98 HG3 LYS 13 1HG LYS 13 11.748 1.867 10.935 99 HD2 LYS 13 2HD LYS 13 13.960 0.998 10.460 100 HD3 LYS 13 1HD LYS 13 13.146 -0.120 11.558 101 HE2 LYS 13 2HE LYS 13 12.655 -1.628 9.677 102 HE3 LYS 13 1HE LYS 13 13.384 -0.475 8.549 103 HZ1 LYS 13 3HZ LYS 13 14.812 -1.885 10.747 104 HZ2 LYS 13 1HZ LYS 13 15.500 -0.782 9.668 105 HZ3 LYS 13 2HZ LYS 13 14.910 -2.261 9.104 106 H GLU 14 H GLU 14 8.360 0.084 12.544 107 HA GLU 14 HA GLU 14 6.839 -2.187 11.873 108 HB2 GLU 14 2HB GLU 14 6.628 -0.433 14.353 109 HB3 GLU 14 1HB GLU 14 6.000 -2.075 14.199 110 HG2 GLU 14 2HG GLU 14 8.342 -2.887 13.831 111 HG3 GLU 14 1HG GLU 14 8.923 -1.245 14.117 112 H THR 15 H THR 15 5.900 1.197 12.381 113 HA THR 15 HA THR 15 3.077 0.797 12.243 114 HB THR 15 HB THR 15 4.641 3.389 11.812 115 HG1 THR 15 1HG THR 15 3.840 2.025 14.164 116 HG21 THR 15 3HG2 THR 15 1.802 2.946 12.838 117 HG22 THR 15 1HG2 THR 15 2.216 3.543 11.222 118 HG23 THR 15 2HG2 THR 15 2.605 4.505 12.646 119 H VAL 16 H VAL 16 5.571 1.700 9.931 120 HA VAL 16 HA VAL 16 3.949 2.344 7.697 121 HB VAL 16 HB VAL 16 6.886 1.604 8.049 122 HG11 VAL 16 1HG1 VAL 16 7.323 2.120 5.660 123 HG12 VAL 16 2HG1 VAL 16 5.585 2.198 5.375 124 HG13 VAL 16 3HG1 VAL 16 6.323 0.676 5.855 125 HG21 VAL 16 3HG2 VAL 16 5.525 4.167 7.118 126 HG22 VAL 16 1HG2 VAL 16 7.266 3.953 7.351 127 HG23 VAL 16 2HG2 VAL 16 6.172 3.873 8.734 128 H ARG 17 H ARG 17 5.776 -0.643 8.491 129 HA ARG 17 HA ARG 17 5.054 -2.263 6.381 130 HB2 ARG 17 2HB ARG 17 6.722 -2.854 8.167 131 HB3 ARG 17 1HB ARG 17 5.373 -3.193 9.253 132 HG2 ARG 17 2HG ARG 17 4.602 -4.848 7.333 133 HG3 ARG 17 1HG ARG 17 6.282 -4.718 6.808 134 HD2 ARG 17 2HD ARG 17 5.303 -5.619 9.508 135 HD3 ARG 17 1HD ARG 17 5.965 -6.664 8.258 136 HE ARG 17 HE ARG 17 7.396 -4.975 10.121 137 HH11 ARG 17 1HH1 ARG 17 7.684 -6.747 7.099 138 HH12 ARG 17 2HH1 ARG 17 9.415 -6.843 7.185 139 HH21 ARG 17 1HH2 ARG 17 9.655 -5.052 10.194 140 HH22 ARG 17 2HH2 ARG 17 10.530 -5.879 8.943 141 H LYS 18 H LYS 18 3.396 -2.106 9.578 142 HA LYS 18 HA LYS 18 1.352 -3.907 8.940 143 HB2 LYS 18 2HB LYS 18 2.039 -3.378 11.261 144 HB3 LYS 18 1HB LYS 18 1.351 -1.762 11.096 145 HG2 LYS 18 2HG LYS 18 -0.883 -2.713 10.782 146 HG3 LYS 18 1HG LYS 18 -0.222 -4.346 10.850 147 HD2 LYS 18 2HD LYS 18 0.400 -4.027 13.206 148 HD3 LYS 18 1HD LYS 18 -0.152 -2.349 13.147 149 HE2 LYS 18 2HE LYS 18 -2.451 -3.115 12.709 150 HE3 LYS 18 1HE LYS 18 -1.909 -4.793 12.737 151 HZ1 LYS 18 3HZ LYS 18 -1.752 -2.917 15.033 152 HZ2 LYS 18 1HZ LYS 18 -1.331 -4.555 15.047 153 HZ3 LYS 18 2HZ LYS 18 -2.938 -4.098 14.818 154 H GLN 19 H GLN 19 1.510 -0.365 8.518 155 HA GLN 19 HA GLN 19 -1.291 -0.007 8.017 156 HB2 GLN 19 2HB GLN 19 0.149 1.896 8.658 157 HB3 GLN 19 1HB GLN 19 1.053 1.737 7.158 158 HG2 GLN 19 2HG GLN 19 -0.553 3.622 7.084 159 HG3 GLN 19 1HG GLN 19 -0.899 2.419 5.852 160 HE21 GLN 19 1HE2 GLN 19 -2.863 1.345 5.902 161 HE22 GLN 19 2HE2 GLN 19 -4.125 1.730 7.014 162 H ALA 20 H ALA 20 1.381 -1.069 6.041 163 HA ALA 20 HA ALA 20 0.063 -0.687 3.482 164 HB1 ALA 20 1HB ALA 20 2.521 -0.636 3.641 165 HB2 ALA 20 2HB ALA 20 1.982 -1.962 2.602 166 HB3 ALA 20 3HB ALA 20 2.536 -2.296 4.249 167 H MET 21 H MET 21 0.739 -3.223 5.901 168 HA MET 21 HA MET 21 -0.288 -5.440 4.622 169 HB2 MET 21 2HB MET 21 -0.146 -4.774 7.583 170 HB3 MET 21 1HB MET 21 -0.536 -6.376 6.966 171 HG2 MET 21 2HG MET 21 1.645 -6.633 6.042 172 HG3 MET 21 1HG MET 21 2.033 -4.944 6.304 173 HE1 MET 21 3HE MET 21 1.396 -7.726 9.910 174 HE2 MET 21 1HE MET 21 1.008 -8.234 8.266 175 HE3 MET 21 2HE MET 21 0.095 -6.927 9.026 176 H GLU 22 H GLU 22 -1.898 -3.023 6.658 177 HA GLU 22 HA GLU 22 -4.482 -4.095 6.745 178 HB2 GLU 22 2HB GLU 22 -3.627 -1.164 6.750 179 HB3 GLU 22 1HB GLU 22 -5.256 -1.719 7.129 180 HG2 GLU 22 2HG GLU 22 -2.752 -2.376 8.703 181 HG3 GLU 22 1HG GLU 22 -3.946 -1.161 9.141 182 H ASP 23 H ASP 23 -3.201 -1.544 4.607 183 HA ASP 23 HA ASP 23 -5.258 -1.097 2.869 184 HB2 ASP 23 2HB ASP 23 -3.302 0.285 2.771 185 HB3 ASP 23 1HB ASP 23 -2.242 -1.087 2.483 186 H ILE 24 H ILE 24 -2.790 -3.616 2.630 187 HA ILE 24 HA ILE 24 -3.390 -4.680 0.104 188 HB ILE 24 HB ILE 24 -2.064 -5.897 2.564 189 HG12 ILE 24 2HG1 ILE 24 -0.791 -4.982 -0.052 190 HG13 ILE 24 1HG1 ILE 24 -0.956 -3.943 1.356 191 HG21 ILE 24 1HG2 ILE 24 -2.947 -7.767 1.260 192 HG22 ILE 24 2HG2 ILE 24 -1.192 -7.713 1.108 193 HG23 ILE 24 3HG2 ILE 24 -2.209 -7.128 -0.211 194 HD11 ILE 24 3HD1 ILE 24 1.270 -4.857 1.205 195 HD12 ILE 24 1HD1 ILE 24 0.635 -6.501 1.230 196 HD13 ILE 24 2HD1 ILE 24 0.461 -5.463 2.649 197 H GLU 25 H GLU 25 -4.386 -5.726 3.386 198 HA GLU 25 HA GLU 25 -5.826 -7.984 2.501 199 HB2 GLU 25 2HB GLU 25 -5.875 -6.582 5.183 200 HB3 GLU 25 1HB GLU 25 -6.614 -8.153 4.864 201 HG2 GLU 25 2HG GLU 25 -4.429 -9.108 4.323 202 HG3 GLU 25 1HG GLU 25 -3.654 -7.546 4.596 203 H ILE 26 H ILE 26 -6.781 -4.748 3.167 204 HA ILE 26 HA ILE 26 -9.628 -5.198 3.065 205 HB ILE 26 HB ILE 26 -7.950 -2.637 2.938 206 HG12 ILE 26 2HG1 ILE 26 -9.410 -3.761 5.385 207 HG13 ILE 26 1HG1 ILE 26 -7.753 -4.220 5.012 208 HG21 ILE 26 1HG2 ILE 26 -10.236 -2.224 2.111 209 HG22 ILE 26 2HG2 ILE 26 -9.981 -1.442 3.672 210 HG23 ILE 26 3HG2 ILE 26 -10.911 -2.940 3.577 211 HD11 ILE 26 3HD1 ILE 26 -7.045 -1.931 5.190 212 HD12 ILE 26 1HD1 ILE 26 -7.832 -2.480 6.665 213 HD13 ILE 26 2HD1 ILE 26 -8.697 -1.416 5.554 214 H ALA 27 H ALA 27 -7.059 -4.559 0.779 215 HA ALA 27 HA ALA 27 -8.758 -3.878 -1.479 216 HB1 ALA 27 1HB ALA 27 -6.689 -4.027 -2.810 217 HB2 ALA 27 2HB ALA 27 -5.831 -4.700 -1.420 218 HB3 ALA 27 3HB ALA 27 -6.437 -3.042 -1.367 219 H GLN 28 H GLN 28 -7.180 -6.766 -0.160 220 HA GLN 28 HA GLN 28 -7.705 -8.609 -2.235 221 HB2 GLN 28 2HB GLN 28 -7.418 -9.127 0.762 222 HB3 GLN 28 1HB GLN 28 -7.368 -10.373 -0.481 223 HG2 GLN 28 2HG GLN 28 -5.311 -9.509 -1.372 224 HG3 GLN 28 1HG GLN 28 -5.398 -8.083 -0.347 225 HE21 GLN 28 1HE2 GLN 28 -6.264 -9.809 2.011 226 HE22 GLN 28 2HE2 GLN 28 -4.801 -10.553 2.539 227 H SER 29 H SER 29 -9.619 -7.488 0.486 228 HA SER 29 HA SER 29 -11.741 -9.430 0.135 229 HB2 SER 29 2HB SER 29 -11.511 -7.047 2.016 230 HB3 SER 29 1HB SER 29 -12.769 -8.285 2.072 231 HG SER 29 HG SER 29 -10.031 -8.499 2.697 232 H LYS 30 H LYS 30 -10.971 -6.754 -1.634 233 HA LYS 30 HA LYS 30 -12.010 -5.510 -3.181 234 HB2 LYS 30 2HB LYS 30 -12.871 -7.819 -3.787 235 HB3 LYS 30 1HB LYS 30 -14.318 -7.473 -2.852 236 HG2 LYS 30 2HG LYS 30 -14.894 -5.651 -4.409 237 HG3 LYS 30 1HG LYS 30 -13.420 -5.961 -5.328 238 HD2 LYS 30 2HD LYS 30 -15.343 -6.961 -6.462 239 HD3 LYS 30 1HD LYS 30 -14.256 -8.227 -5.893 240 HE2 LYS 30 2HE LYS 30 -16.578 -8.866 -5.494 241 HE3 LYS 30 1HE LYS 30 -15.767 -8.614 -3.950 242 HZ1 LYS 30 3HZ LYS 30 -18.007 -7.639 -4.056 243 HZ2 LYS 30 1HZ LYS 30 -17.497 -6.610 -5.294 244 HZ3 LYS 30 2HZ LYS 30 -16.818 -6.478 -3.754 245 H ASP 31 H ASP 31 -11.962 -4.406 -0.821 246 HA ASP 31 HA ASP 31 -14.583 -3.240 -0.206 247 HB2 ASP 31 2HB ASP 31 -11.853 -2.974 1.114 248 HB3 ASP 31 1HB ASP 31 -13.221 -1.955 1.561 249 H TYR 32 H TYR 32 -15.156 -1.316 -0.788 250 HA TYR 32 HA TYR 32 -13.392 0.322 -2.481 251 HB2 TYR 32 2HB TYR 32 -16.397 0.702 -2.202 252 HB3 TYR 32 1HB TYR 32 -15.361 1.132 -3.560 253 HD1 TYR 32 1HD TYR 32 -13.893 -1.429 -4.031 254 HD2 TYR 32 2HD TYR 32 -18.012 -0.763 -3.110 255 HE1 TYR 32 1HE TYR 32 -14.448 -3.580 -5.054 256 HE2 TYR 32 2HE TYR 32 -18.584 -2.908 -4.177 257 HH TYR 32 HH TYR 32 -17.559 -4.382 -5.974 258 H GLU 33 H GLU 33 -16.146 1.100 -0.328 259 HA GLU 33 HA GLU 33 -15.146 3.650 0.401 260 HB2 GLU 33 2HB GLU 33 -17.097 3.687 1.984 261 HB3 GLU 33 1HB GLU 33 -17.506 3.310 0.313 262 HG2 GLU 33 2HG GLU 33 -17.552 0.877 0.930 263 HG3 GLU 33 1HG GLU 33 -17.320 1.350 2.619 264 H SER 34 H SER 34 -14.819 0.501 1.998 265 HA SER 34 HA SER 34 -13.828 1.490 4.502 266 HB2 SER 34 2HB SER 34 -13.373 -1.217 3.181 267 HB3 SER 34 1HB SER 34 -13.039 -0.836 4.872 268 HG SER 34 HG SER 34 -15.055 -1.859 4.573 269 H TRP 35 H TRP 35 -12.272 0.246 1.571 270 HA TRP 35 HA TRP 35 -9.561 0.499 2.376 271 HB2 TRP 35 2HB TRP 35 -10.538 -0.976 0.542 272 HB3 TRP 35 1HB TRP 35 -10.720 0.466 -0.451 273 HD1 TRP 35 HD TRP 35 -7.705 -0.974 1.563 274 HE1 TRP 35 1HE TRP 35 -5.687 -1.085 -0.013 275 HE3 TRP 35 3HE TRP 35 -9.886 0.818 -2.706 276 HZ2 TRP 35 2HZ TRP 35 -5.076 -0.497 -2.689 277 HZ3 TRP 35 3HZ TRP 35 -8.507 1.011 -4.744 278 HH2 TRP 35 HH TRP 35 -6.143 0.366 -4.733 279 H LYS 36 H LYS 36 -11.768 2.526 0.672 280 HA LYS 36 HA LYS 36 -10.358 4.734 -0.205 281 HB2 LYS 36 2HB LYS 36 -12.676 4.144 -0.724 282 HB3 LYS 36 1HB LYS 36 -13.120 4.312 0.953 283 HG2 LYS 36 2HG LYS 36 -12.188 6.818 -0.286 284 HG3 LYS 36 1HG LYS 36 -13.641 6.119 -1.015 285 HD2 LYS 36 2HD LYS 36 -14.485 5.911 1.481 286 HD3 LYS 36 1HD LYS 36 -13.230 7.093 1.832 287 HE2 LYS 36 2HE LYS 36 -14.301 8.597 0.120 288 HE3 LYS 36 1HE LYS 36 -15.614 7.425 -0.008 289 HZ1 LYS 36 3HZ LYS 36 -16.118 7.766 2.307 290 HZ2 LYS 36 1HZ LYS 36 -16.113 9.255 1.512 291 HZ3 LYS 36 2HZ LYS 36 -14.805 8.812 2.493 292 H SER 37 H SER 37 -11.778 4.072 2.991 293 HA SER 37 HA SER 37 -11.379 6.544 4.245 294 HB2 SER 37 2HB SER 37 -11.321 3.798 5.565 295 HB3 SER 37 1HB SER 37 -11.714 5.338 6.346 296 HG SER 37 HG SER 37 -13.267 4.946 4.173 297 H ARG 38 H ARG 38 -9.228 3.845 3.706 298 HA ARG 38 HA ARG 38 -7.137 4.572 5.497 299 HB2 ARG 38 2HB ARG 38 -7.421 2.557 3.254 300 HB3 ARG 38 1HB ARG 38 -5.829 2.896 3.900 301 HG2 ARG 38 2HG ARG 38 -6.774 0.913 4.950 302 HG3 ARG 38 1HG ARG 38 -6.527 2.199 6.130 303 HD2 ARG 38 2HD ARG 38 -8.997 2.748 5.908 304 HD3 ARG 38 1HD ARG 38 -9.158 1.301 4.907 305 HE ARG 38 HE ARG 38 -7.945 0.825 7.484 306 HH11 ARG 38 1HH1 ARG 38 -11.031 1.033 5.807 307 HH12 ARG 38 2HH1 ARG 38 -11.869 0.062 6.976 308 HH21 ARG 38 1HH2 ARG 38 -9.070 -0.430 9.000 309 HH22 ARG 38 2HH2 ARG 38 -10.761 -0.763 8.779 310 H PHE 39 H PHE 39 -7.870 5.369 2.136 311 HA PHE 39 HA PHE 39 -5.384 6.696 1.538 312 HB2 PHE 39 2HB PHE 39 -8.129 6.705 0.210 313 HB3 PHE 39 1HB PHE 39 -6.814 7.713 -0.386 314 HD1 PHE 39 2HD PHE 39 -7.466 4.148 0.535 315 HD2 PHE 39 1HD PHE 39 -5.467 6.849 -2.117 316 HE1 PHE 39 2HE PHE 39 -6.550 2.252 -0.720 317 HE2 PHE 39 1HE PHE 39 -4.575 4.948 -3.384 318 HZ PHE 39 HZ PHE 39 -5.115 2.642 -2.695 319 H THR 40 H THR 40 -5.529 9.114 0.772 320 HA THR 40 HA THR 40 -6.145 10.768 3.023 321 HB THR 40 HB THR 40 -5.236 12.591 1.853 322 HG1 THR 40 1HG THR 40 -5.291 12.173 -0.714 323 HG21 THR 40 3HG2 THR 40 -4.106 10.322 0.190 324 HG22 THR 40 1HG2 THR 40 -3.523 10.784 1.792 325 HG23 THR 40 2HG2 THR 40 -3.370 11.905 0.437 326 H LYS 41 H LYS 41 -7.736 12.381 3.142 327 HA LYS 41 HA LYS 41 -10.347 11.685 2.343 328 HB2 LYS 41 2HB LYS 41 -9.145 14.178 3.503 329 HB3 LYS 41 1HB LYS 41 -10.875 14.018 3.233 330 HG2 LYS 41 2HG LYS 41 -10.906 12.033 4.734 331 HG3 LYS 41 1HG LYS 41 -9.166 12.199 4.988 332 HD2 LYS 41 2HD LYS 41 -9.545 14.404 6.038 333 HD3 LYS 41 1HD LYS 41 -11.283 14.220 5.785 334 HE2 LYS 41 2HE LYS 41 -11.251 12.199 7.243 335 HE3 LYS 41 1HE LYS 41 -9.528 12.451 7.526 336 HZ1 LYS 41 3HZ LYS 41 -11.704 14.323 8.280 337 HZ2 LYS 41 1HZ LYS 41 -10.054 14.572 8.547 338 HZ3 LYS 41 2HZ LYS 41 -10.851 13.310 9.335 339 H ASP 42 H ASP 42 -7.948 13.637 0.819 340 HA ASP 42 HA ASP 42 -9.563 14.862 -1.205 341 HB2 ASP 42 2HB ASP 42 -7.417 15.773 -0.577 342 HB3 ASP 42 1HB ASP 42 -6.594 14.268 -0.960 343 H LEU 43 H LEU 43 -7.679 11.875 -0.964 344 HA LEU 43 HA LEU 43 -8.146 10.955 -3.648 345 HB2 LEU 43 2HB LEU 43 -7.148 9.523 -1.175 346 HB3 LEU 43 1HB LEU 43 -7.260 8.760 -2.754 347 HG LEU 43 HG LEU 43 -5.487 11.126 -2.016 348 HD11 LEU 43 1HD1 LEU 43 -4.801 8.298 -2.784 349 HD12 LEU 43 2HD1 LEU 43 -4.688 9.004 -1.169 350 HD13 LEU 43 3HD1 LEU 43 -3.649 9.600 -2.460 351 HD21 LEU 43 3HD2 LEU 43 -6.298 11.329 -4.326 352 HD22 LEU 43 1HD2 LEU 43 -5.702 9.697 -4.665 353 HD23 LEU 43 2HD2 LEU 43 -4.572 10.992 -4.239 354 H GLN 44 H GLN 44 -9.861 10.724 -0.633 355 HA GLN 44 HA GLN 44 -11.659 8.653 -1.235 356 HB2 GLN 44 2HB GLN 44 -11.870 11.072 0.572 357 HB3 GLN 44 1HB GLN 44 -13.090 9.795 0.512 358 HG2 GLN 44 2HG GLN 44 -11.291 8.134 1.013 359 HG3 GLN 44 1HG GLN 44 -10.177 9.470 1.230 360 HE21 GLN 44 1HE2 GLN 44 -9.855 8.560 3.272 361 HE22 GLN 44 2HE2 GLN 44 -10.920 8.932 4.551 362 H SER 45 H SER 45 -11.336 11.731 -2.628 363 HA SER 45 HA SER 45 -13.955 11.545 -3.983 364 HB2 SER 45 2HB SER 45 -12.200 13.983 -3.668 365 HB3 SER 45 1HB SER 45 -13.830 13.941 -4.335 366 HG SER 45 HG SER 45 -12.990 13.568 -1.658 367 H SER 46 H SER 46 -10.655 10.963 -4.386 368 HA SER 46 HA SER 46 -10.815 11.170 -7.330 369 HB2 SER 46 2HB SER 46 -9.586 13.166 -6.373 370 HB3 SER 46 1HB SER 46 -8.407 12.061 -5.675 371 HG SER 46 HG SER 46 -9.010 12.238 -8.449 372 H LEU 47 H LEU 47 -11.222 8.876 -5.619 373 HA LEU 47 HA LEU 47 -8.933 7.171 -5.716 374 HB2 LEU 47 2HB LEU 47 -11.849 6.663 -5.245 375 HB3 LEU 47 1HB LEU 47 -10.840 5.305 -5.705 376 HG LEU 47 HG LEU 47 -10.862 6.862 -3.127 377 HD11 LEU 47 1HD1 LEU 47 -10.506 3.966 -3.842 378 HD12 LEU 47 2HD1 LEU 47 -12.000 4.740 -3.296 379 HD13 LEU 47 3HD1 LEU 47 -10.626 4.610 -2.201 380 HD21 LEU 47 3HD2 LEU 47 -8.365 5.430 -4.119 381 HD22 LEU 47 1HD2 LEU 47 -8.643 6.001 -2.470 382 HD23 LEU 47 2HD2 LEU 47 -8.519 7.158 -3.789 383 H THR 48 H THR 48 -8.085 6.066 -7.295 384 HA THR 48 HA THR 48 -9.373 5.851 -9.909 385 HB THR 48 HB THR 48 -7.184 4.519 -10.412 386 HG1 THR 48 1HG THR 48 -5.606 4.612 -8.930 387 HG21 THR 48 3HG2 THR 48 -5.879 6.588 -10.778 388 HG22 THR 48 1HG2 THR 48 -7.000 7.483 -9.744 389 HG23 THR 48 2HG2 THR 48 -7.559 6.801 -11.271 390 H GLU 49 H GLU 49 -10.965 4.453 -9.856 391 HA GLU 49 HA GLU 49 -11.143 2.180 -8.160 392 HB2 GLU 49 2HB GLU 49 -12.782 3.144 -10.508 393 HB3 GLU 49 1HB GLU 49 -13.140 1.635 -9.699 394 HG2 GLU 49 2HG GLU 49 -13.461 2.835 -7.572 395 HG3 GLU 49 1HG GLU 49 -13.093 4.357 -8.379 396 H GLU 50 H GLU 50 -9.847 2.700 -11.345 397 HA GLU 50 HA GLU 50 -9.735 0.042 -12.269 398 HB2 GLU 50 2HB GLU 50 -9.376 2.133 -13.620 399 HB3 GLU 50 1HB GLU 50 -7.816 2.334 -12.839 400 HG2 GLU 50 2HG GLU 50 -7.147 0.094 -13.754 401 HG3 GLU 50 1HG GLU 50 -8.670 0.060 -14.637 402 H SER 51 H SER 51 -7.691 1.915 -10.059 403 HA SER 51 HA SER 51 -5.483 0.129 -9.960 404 HB2 SER 51 2HB SER 51 -6.393 2.195 -7.920 405 HB3 SER 51 1HB SER 51 -4.835 1.359 -7.887 406 HG SER 51 HG SER 51 -4.973 2.289 -10.286 407 H TYR 52 H TYR 52 -8.659 -0.167 -8.466 408 HA TYR 52 HA TYR 52 -7.617 -2.496 -6.961 409 HB2 TYR 52 2HB TYR 52 -9.562 -2.570 -5.621 410 HB3 TYR 52 1HB TYR 52 -9.185 -0.866 -5.742 411 HD1 TYR 52 2HD TYR 52 -11.490 -3.509 -7.089 412 HD2 TYR 52 1HD TYR 52 -10.917 0.684 -6.444 413 HE1 TYR 52 2HE TYR 52 -13.812 -3.086 -7.739 414 HE2 TYR 52 1HE TYR 52 -13.248 1.081 -7.059 415 HH TYR 52 HH TYR 52 -15.006 -0.013 -8.448 416 H ASP 53 H ASP 53 -9.586 -1.586 -9.704 417 HA ASP 53 HA ASP 53 -11.085 -3.998 -9.990 418 HB2 ASP 53 2HB ASP 53 -11.892 -1.826 -10.789 419 HB3 ASP 53 1HB ASP 53 -10.548 -1.691 -11.912 420 H SER 54 H SER 54 -8.424 -2.638 -11.995 421 HA SER 54 HA SER 54 -7.885 -4.936 -13.523 422 HB2 SER 54 2HB SER 54 -5.746 -3.863 -14.054 423 HB3 SER 54 1HB SER 54 -7.025 -2.655 -14.056 424 HG SER 54 HG SER 54 -5.962 -1.637 -12.579 425 H TYR 55 H TYR 55 -6.555 -3.739 -10.463 426 HA TYR 55 HA TYR 55 -4.636 -5.594 -9.804 427 HB2 TYR 55 2HB TYR 55 -4.756 -3.749 -8.360 428 HB3 TYR 55 1HB TYR 55 -6.500 -3.830 -8.224 429 HD1 TYR 55 2HD TYR 55 -3.337 -5.409 -7.045 430 HD2 TYR 55 1HD TYR 55 -7.543 -4.983 -6.378 431 HE1 TYR 55 2HE TYR 55 -3.124 -6.541 -4.892 432 HE2 TYR 55 1HE TYR 55 -7.317 -6.127 -4.222 433 HH TYR 55 HH TYR 55 -5.763 -7.710 -3.122 434 H LEU 56 H LEU 56 -8.168 -5.905 -9.484 435 HA LEU 56 HA LEU 56 -8.182 -8.259 -7.932 436 HB2 LEU 56 2HB LEU 56 -10.294 -7.095 -9.773 437 HB3 LEU 56 1HB LEU 56 -10.574 -8.546 -8.826 438 HG LEU 56 HG LEU 56 -10.000 -5.788 -7.695 439 HD11 LEU 56 1HD1 LEU 56 -12.214 -5.934 -8.683 440 HD12 LEU 56 2HD1 LEU 56 -12.296 -5.790 -6.930 441 HD13 LEU 56 3HD1 LEU 56 -12.575 -7.357 -7.700 442 HD21 LEU 56 3HD2 LEU 56 -10.498 -6.744 -5.492 443 HD22 LEU 56 1HD2 LEU 56 -9.091 -7.516 -6.223 444 HD23 LEU 56 2HD2 LEU 56 -10.648 -8.351 -6.212 445 H LYS 57 H LYS 57 -7.836 -7.745 -11.390 446 HA LYS 57 HA LYS 57 -8.405 -10.381 -12.255 447 HB2 LYS 57 2HB LYS 57 -6.639 -8.327 -13.603 448 HB3 LYS 57 1HB LYS 57 -7.400 -9.716 -14.360 449 HG2 LYS 57 2HG LYS 57 -8.821 -7.284 -13.230 450 HG3 LYS 57 1HG LYS 57 -8.574 -7.664 -14.919 451 HD2 LYS 57 2HD LYS 57 -10.772 -8.341 -14.718 452 HD3 LYS 57 1HD LYS 57 -9.982 -9.863 -14.315 453 HE2 LYS 57 2HE LYS 57 -10.330 -9.432 -11.922 454 HE3 LYS 57 1HE LYS 57 -10.989 -7.829 -12.289 455 HZ1 LYS 57 3HZ LYS 57 -12.774 -9.301 -11.878 456 HZ2 LYS 57 1HZ LYS 57 -12.185 -10.458 -12.959 457 HZ3 LYS 57 2HZ LYS 57 -12.774 -8.984 -13.536 458 H ILE 58 H ILE 58 -5.396 -8.711 -11.323 459 HA ILE 58 HA ILE 58 -3.626 -10.908 -11.650 460 HB ILE 58 HB ILE 58 -3.392 -8.597 -9.652 461 HG12 ILE 58 2HG1 ILE 58 -1.519 -7.849 -11.322 462 HG13 ILE 58 1HG1 ILE 58 -2.302 -8.919 -12.475 463 HG21 ILE 58 1HG2 ILE 58 -0.979 -9.175 -9.448 464 HG22 ILE 58 2HG2 ILE 58 -1.251 -10.604 -10.448 465 HG23 ILE 58 3HG2 ILE 58 -2.029 -10.473 -8.871 466 HD11 ILE 58 3HD1 ILE 58 -2.994 -6.630 -12.783 467 HD12 ILE 58 1HD1 ILE 58 -3.526 -6.537 -11.102 468 HD13 ILE 58 2HD1 ILE 58 -4.360 -7.606 -12.230 469 H LEU 59 H LEU 59 -5.575 -9.727 -8.965 470 HA LEU 59 HA LEU 59 -4.731 -11.367 -6.870 471 HB2 LEU 59 2HB LEU 59 -6.295 -9.310 -6.903 472 HB3 LEU 59 1HB LEU 59 -7.571 -10.428 -7.188 473 HG LEU 59 HG LEU 59 -7.014 -11.588 -5.027 474 HD11 LEU 59 1HD1 LEU 59 -5.580 -10.474 -3.399 475 HD12 LEU 59 2HD1 LEU 59 -5.154 -9.241 -4.590 476 HD13 LEU 59 3HD1 LEU 59 -4.671 -10.923 -4.840 477 HD21 LEU 59 3HD2 LEU 59 -7.695 -8.649 -4.773 478 HD22 LEU 59 1HD2 LEU 59 -8.032 -9.909 -3.582 479 HD23 LEU 59 2HD2 LEU 59 -8.827 -9.950 -5.153 480 H GLU 60 H GLU 60 -7.162 -11.885 -9.335 481 HA GLU 60 HA GLU 60 -8.405 -14.115 -8.184 482 HB2 GLU 60 2HB GLU 60 -8.469 -12.798 -10.900 483 HB3 GLU 60 1HB GLU 60 -9.273 -14.313 -10.657 484 HG2 GLU 60 2HG GLU 60 -10.547 -13.245 -8.746 485 HG3 GLU 60 1HG GLU 60 -9.843 -11.728 -9.276 486 H LYS 61 H LYS 61 -5.483 -13.780 -9.953 487 HA LYS 61 HA LYS 61 -5.286 -16.709 -10.386 488 HB2 LYS 61 2HB LYS 61 -3.491 -16.305 -11.992 489 HB3 LYS 61 1HB LYS 61 -4.958 -15.465 -12.485 490 HG2 LYS 61 2HG LYS 61 -4.048 -13.364 -11.671 491 HG3 LYS 61 1HG LYS 61 -2.605 -14.175 -11.078 492 HD2 LYS 61 2HD LYS 61 -3.404 -14.133 -14.014 493 HD3 LYS 61 1HD LYS 61 -2.376 -12.902 -13.281 494 HE2 LYS 61 2HE LYS 61 -0.959 -14.517 -14.390 495 HE3 LYS 61 1HE LYS 61 -0.742 -14.703 -12.654 496 HZ1 LYS 61 3HZ LYS 61 -2.453 -16.428 -14.357 497 HZ2 LYS 61 1HZ LYS 61 -2.153 -16.651 -12.712 498 HZ3 LYS 61 2HZ LYS 61 -0.904 -16.826 -13.832 499 H GLN 62 H GLN 62 -4.642 -14.555 -8.114 500 HA GLN 62 HA GLN 62 -1.978 -15.431 -7.357 501 HB2 GLN 62 2HB GLN 62 -3.997 -13.637 -5.968 502 HB3 GLN 62 1HB GLN 62 -2.437 -14.021 -5.330 503 HG2 GLN 62 2HG GLN 62 -3.054 -12.413 -7.755 504 HG3 GLN 62 1HG GLN 62 -2.318 -11.857 -6.271 505 HE21 GLN 62 1HE2 GLN 62 -1.859 -13.532 -9.255 506 HE22 GLN 62 2HE2 GLN 62 -0.154 -13.633 -9.180 507 H GLY 63 H GLY 63 -5.328 -16.256 -6.609 508 HA2 GLY 63 2HA GLY 63 -6.040 -18.044 -5.224 509 HA3 GLY 63 1HA GLY 63 -4.436 -18.146 -4.531 510 H GLU 64 H GLU 64 -5.297 -18.066 -2.395 511 HA GLU 64 HA GLU 64 -6.222 -15.393 -1.506 512 HB2 GLU 64 2HB GLU 64 -7.747 -17.239 -0.928 513 HB3 GLU 64 1HB GLU 64 -6.451 -18.074 -0.095 514 HG2 GLU 64 2HG GLU 64 -7.924 -17.005 1.519 515 HG3 GLU 64 1HG GLU 64 -6.340 -16.240 1.575 516 H PHE 65 H PHE 65 -5.249 -14.453 0.249 517 HA PHE 65 HA PHE 65 -2.450 -14.477 0.387 518 HB2 PHE 65 2HB PHE 65 -3.347 -12.411 0.912 519 HB3 PHE 65 1HB PHE 65 -4.680 -13.095 1.831 520 HD1 PHE 65 1HD PHE 65 -0.956 -12.723 2.069 521 HD2 PHE 65 2HD PHE 65 -4.671 -12.727 4.163 522 HE1 PHE 65 1HE PHE 65 0.198 -12.081 4.111 523 HE2 PHE 65 2HE PHE 65 -3.496 -12.084 6.228 524 HZ PHE 65 HZ PHE 65 -1.058 -11.757 6.205 525 H LYS 66 H LYS 66 -1.103 -15.719 1.473 526 HA LYS 66 HA LYS 66 -2.063 -17.454 3.676 527 HB2 LYS 66 2HB LYS 66 0.366 -17.823 1.866 528 HB3 LYS 66 1HB LYS 66 -0.193 -18.961 3.092 529 HG2 LYS 66 2HG LYS 66 -1.670 -18.183 0.554 530 HG3 LYS 66 1HG LYS 66 -0.822 -19.701 0.835 531 HD2 LYS 66 2HD LYS 66 -3.191 -18.790 2.509 532 HD3 LYS 66 1HD LYS 66 -3.369 -19.738 1.037 533 HE2 LYS 66 2HE LYS 66 -3.502 -21.217 2.939 534 HE3 LYS 66 1HE LYS 66 -2.002 -21.551 2.082 535 HZ1 LYS 66 3HZ LYS 66 -2.169 -19.829 4.489 536 HZ2 LYS 66 1HZ LYS 66 -0.770 -20.432 3.764 537 HZ3 LYS 66 2HZ LYS 66 -1.836 -21.479 4.553 538 H GLU 67 H GLU 67 0.505 -15.261 2.639 539 HA GLU 67 HA GLU 67 1.335 -14.555 5.297 540 HB2 GLU 67 2HB GLU 67 2.400 -16.802 5.059 541 HB3 GLU 67 1HB GLU 67 3.203 -16.270 3.584 542 HG2 GLU 67 2HG GLU 67 4.469 -14.620 4.849 543 HG3 GLU 67 1HG GLU 67 3.644 -15.067 6.327 544 H PHE 68 H PHE 68 3.126 -12.878 5.177 545 HA PHE 68 HA PHE 68 3.493 -11.609 2.517 546 HB2 PHE 68 2HB PHE 68 3.911 -10.563 5.352 547 HB3 PHE 68 1HB PHE 68 4.410 -9.669 3.923 548 HD1 PHE 68 2HD PHE 68 2.397 -9.505 2.085 549 HD2 PHE 68 1HD PHE 68 1.886 -9.827 6.315 550 HE1 PHE 68 2HE PHE 68 0.175 -8.511 1.883 551 HE2 PHE 68 1HE PHE 68 -0.344 -8.802 6.114 552 HZ PHE 68 HZ PHE 68 -1.207 -8.142 3.901 553 H GLY 69 H GLY 69 5.674 -11.276 1.689 554 HA2 GLY 69 2HA GLY 69 7.660 -13.181 2.608 555 HA3 GLY 69 1HA GLY 69 7.805 -12.050 1.279 556 H LYS 70 H LYS 70 8.915 -10.217 1.556 557 HA LYS 70 HA LYS 70 9.712 -9.325 4.264 558 HB2 LYS 70 2HB LYS 70 11.645 -10.348 3.068 559 HB3 LYS 70 1HB LYS 70 11.391 -9.256 1.708 560 HG2 LYS 70 2HG LYS 70 11.891 -7.328 3.151 561 HG3 LYS 70 1HG LYS 70 12.121 -8.408 4.527 562 HD2 LYS 70 2HD LYS 70 14.062 -9.449 3.358 563 HD3 LYS 70 1HD LYS 70 13.823 -8.343 1.999 564 HE2 LYS 70 2HE LYS 70 14.288 -6.422 3.453 565 HE3 LYS 70 1HE LYS 70 14.444 -7.489 4.849 566 HZ1 LYS 70 3HZ LYS 70 16.604 -6.923 4.052 567 HZ2 LYS 70 1HZ LYS 70 16.217 -7.397 2.476 568 HZ3 LYS 70 2HZ LYS 70 16.329 -8.551 3.698 569 H CYS 71 H CYS 71 10.014 -7.045 4.482 570 HA CYS 71 HA CYS 71 8.607 -5.371 2.487 571 HB2 CYS 71 2HB CYS 71 8.816 -4.750 5.423 572 HB3 CYS 71 1HB CYS 71 7.685 -4.097 4.250 573 HG CYS 71 HG CYS 71 6.899 -7.100 4.060 574 H THR 72 H THR 72 10.364 -4.557 1.390 575 HA THR 72 HA THR 72 12.534 -3.056 2.505 576 HB THR 72 HB THR 72 11.053 -2.889 -0.159 577 HG1 THR 72 1HG THR 72 13.727 -3.717 0.136 578 HG21 THR 72 3HG2 THR 72 12.958 -1.553 -1.059 579 HG22 THR 72 1HG2 THR 72 13.572 -1.368 0.582 580 HG23 THR 72 2HG2 THR 72 12.004 -0.667 0.137 581 H TYR 73 H TYR 73 12.525 -0.657 2.806 582 HA TYR 73 HA TYR 73 9.861 0.578 2.911 583 HB2 TYR 73 2HB TYR 73 12.177 1.229 4.784 584 HB3 TYR 73 1HB TYR 73 10.600 1.948 4.764 585 HD1 TYR 73 2HD TYR 73 8.568 0.493 5.227 586 HD2 TYR 73 1HD TYR 73 12.551 -0.751 6.120 587 HE1 TYR 73 2HE TYR 73 7.689 -1.171 6.809 588 HE2 TYR 73 1HE TYR 73 11.677 -2.420 7.699 589 HH TYR 73 HH TYR 73 8.437 -3.324 7.820 590 H LEU 74 H LEU 74 9.880 2.864 2.539 591 HA LEU 74 HA LEU 74 11.979 3.796 0.681 592 HB2 LEU 74 2HB LEU 74 9.020 3.878 -0.051 593 HB3 LEU 74 1HB LEU 74 10.394 4.259 -1.078 594 HG LEU 74 HG LEU 74 9.791 1.467 -0.042 595 HD11 LEU 74 1HD1 LEU 74 8.997 0.946 -2.295 596 HD12 LEU 74 2HD1 LEU 74 9.076 2.664 -2.711 597 HD13 LEU 74 3HD1 LEU 74 7.973 2.104 -1.450 598 HD21 LEU 74 3HD2 LEU 74 11.678 2.416 -2.214 599 HD22 LEU 74 1HD2 LEU 74 11.312 0.726 -1.834 600 HD23 LEU 74 2HD2 LEU 74 12.119 1.745 -0.641 601 H GLY 75 H GLY 75 11.510 6.122 0.066 602 HA2 GLY 75 2HA GLY 75 9.789 7.600 1.916 603 HA3 GLY 75 1HA GLY 75 11.518 7.912 1.982 604 H GLN 76 H GLN 76 9.748 9.889 1.375 605 HA GLN 76 HA GLN 76 10.679 10.766 -1.218 606 HB2 GLN 76 2HB GLN 76 7.878 11.410 -1.384 607 HB3 GLN 76 1HB GLN 76 8.775 10.327 -2.433 608 HG2 GLN 76 2HG GLN 76 8.109 8.405 -1.133 609 HG3 GLN 76 1HG GLN 76 7.431 9.422 0.131 610 HE21 GLN 76 1HE2 GLN 76 5.394 8.472 0.011 611 HE22 GLN 76 2HE2 GLN 76 4.335 8.699 -1.338 612 H ILE 77 H ILE 77 10.644 13.043 -1.389 613 HA ILE 77 HA ILE 77 9.026 14.536 0.610 614 HB ILE 77 HB ILE 77 11.571 15.619 -0.712 615 HG12 ILE 77 2HG1 ILE 77 12.248 15.747 1.901 616 HG13 ILE 77 1HG1 ILE 77 11.143 14.392 2.021 617 HG21 ILE 77 1HG2 ILE 77 11.276 17.584 0.749 618 HG22 ILE 77 2HG2 ILE 77 9.789 16.893 1.396 619 HG23 ILE 77 3HG2 ILE 77 9.874 17.366 -0.305 620 HD11 ILE 77 3HD1 ILE 77 12.490 13.178 0.376 621 HD12 ILE 77 1HD1 ILE 77 13.404 13.636 1.813 622 HD13 ILE 77 2HD1 ILE 77 13.614 14.540 0.313 623 H LYS 78 H LYS 78 7.422 15.649 -0.333 624 HA LYS 78 HA LYS 78 6.960 15.278 -3.163 625 HB2 LYS 78 2HB LYS 78 5.249 15.099 -1.214 626 HB3 LYS 78 1HB LYS 78 5.215 16.851 -1.219 627 HG2 LYS 78 2HG LYS 78 4.465 15.150 -3.627 628 HG3 LYS 78 1HG LYS 78 3.307 15.674 -2.409 629 HD2 LYS 78 2HD LYS 78 4.937 17.515 -4.210 630 HD3 LYS 78 1HD LYS 78 3.233 17.104 -4.427 631 HE2 LYS 78 2HE LYS 78 2.689 18.195 -2.284 632 HE3 LYS 78 1HE LYS 78 4.398 18.572 -2.029 633 HZ1 LYS 78 3HZ LYS 78 4.318 19.923 -4.062 634 HZ2 LYS 78 1HZ LYS 78 3.251 20.479 -2.872 635 HZ3 LYS 78 2HZ LYS 78 2.662 19.615 -4.197 636 H ASP 79 H ASP 79 7.339 18.047 -0.989 637 HA ASP 79 HA ASP 79 8.683 19.621 -3.052 638 HB2 ASP 79 2HB ASP 79 6.340 20.342 -3.335 639 HB3 ASP 79 1HB ASP 79 6.170 20.591 -1.611 640 H ASN 80 H ASN 80 7.239 19.847 0.190 641 HA ASN 80 HA ASN 80 9.865 20.239 1.416 642 HB2 ASN 80 2HB ASN 80 9.119 22.107 2.765 643 HB3 ASN 80 1HB ASN 80 8.905 22.500 1.068 644 HD21 ASN 80 1HD2 ASN 80 7.586 23.444 3.576 645 HD22 ASN 80 2HD2 ASN 80 5.910 23.275 3.255 646 H LYS 81 H LYS 81 7.011 18.619 1.284 647 HA LYS 81 HA LYS 81 6.895 17.942 4.151 648 HB2 LYS 81 2HB LYS 81 4.882 18.403 2.224 649 HB3 LYS 81 1HB LYS 81 4.884 16.666 2.403 650 HG2 LYS 81 2HG LYS 81 4.621 18.592 4.712 651 HG3 LYS 81 1HG LYS 81 3.262 17.887 3.839 652 HD2 LYS 81 2HD LYS 81 3.992 15.619 4.512 653 HD3 LYS 81 1HD LYS 81 5.392 16.300 5.348 654 HE2 LYS 81 2HE LYS 81 3.906 17.425 6.945 655 HE3 LYS 81 1HE LYS 81 2.485 16.820 6.080 656 HZ1 LYS 81 3HZ LYS 81 3.033 14.613 6.651 657 HZ2 LYS 81 1HZ LYS 81 3.140 15.515 8.078 658 HZ3 LYS 81 2HZ LYS 81 4.547 15.051 7.252 659 H LYS 82 H LYS 82 7.136 15.801 4.803 660 HA LYS 82 HA LYS 82 8.646 14.086 2.928 661 HB2 LYS 82 2HB LYS 82 8.759 14.099 5.975 662 HB3 LYS 82 1HB LYS 82 9.698 13.051 4.906 663 HG2 LYS 82 2HG LYS 82 10.678 15.176 3.893 664 HG3 LYS 82 1HG LYS 82 9.922 16.060 5.225 665 HD2 LYS 82 2HD LYS 82 11.214 14.611 6.832 666 HD3 LYS 82 1HD LYS 82 12.016 13.860 5.449 667 HE2 LYS 82 2HE LYS 82 13.001 16.012 4.826 668 HE3 LYS 82 1HE LYS 82 12.148 16.806 6.152 669 HZ1 LYS 82 3HZ LYS 82 14.246 14.722 6.418 670 HZ2 LYS 82 1HZ LYS 82 13.396 15.409 7.702 671 HZ3 LYS 82 2HZ LYS 82 14.414 16.366 6.758 672 H TYR 83 H TYR 83 8.210 11.954 2.816 673 HA TYR 83 HA TYR 83 5.699 10.883 3.903 674 HB2 TYR 83 2HB TYR 83 6.461 11.071 0.947 675 HB3 TYR 83 1HB TYR 83 5.183 10.021 1.538 676 HD1 TYR 83 1HD TYR 83 6.173 13.616 1.150 677 HD2 TYR 83 2HD TYR 83 3.001 10.894 2.042 678 HE1 TYR 83 1HE TYR 83 4.552 15.446 1.023 679 HE2 TYR 83 2HE TYR 83 1.401 12.709 1.912 680 HH TYR 83 HH TYR 83 1.388 15.176 2.172 681 H GLY 84 H GLY 84 5.640 8.587 3.922 682 HA2 GLY 84 2HA GLY 84 8.257 7.204 3.699 683 HA3 GLY 84 1HA GLY 84 6.909 6.708 4.717 684 H GLY 85 H GLY 85 7.995 4.802 3.227 685 HA2 GLY 85 2HA GLY 85 5.853 3.974 1.444 686 HA3 GLY 85 1HA GLY 85 7.437 4.180 0.677 687 H VAL 86 H VAL 86 6.688 1.786 0.378 688 HA VAL 86 HA VAL 86 8.413 0.089 1.878 689 HB VAL 86 HB VAL 86 6.623 0.258 3.570 690 HG11 VAL 86 1HG1 VAL 86 4.710 -0.800 1.467 691 HG12 VAL 86 2HG1 VAL 86 4.769 0.857 2.077 692 HG13 VAL 86 3HG1 VAL 86 4.336 -0.461 3.163 693 HG21 VAL 86 3HG2 VAL 86 7.727 -1.927 3.437 694 HG22 VAL 86 1HG2 VAL 86 6.535 -2.484 2.260 695 HG23 VAL 86 2HG2 VAL 86 6.042 -2.110 3.916 696 H ILE 87 H ILE 87 8.850 -1.747 0.634 697 HA ILE 87 HA ILE 87 6.922 -2.561 -1.463 698 HB ILE 87 HB ILE 87 9.939 -3.048 -1.407 699 HG12 ILE 87 2HG1 ILE 87 8.300 -1.527 -3.458 700 HG13 ILE 87 1HG1 ILE 87 9.089 -0.738 -2.133 701 HG21 ILE 87 1HG2 ILE 87 8.772 -5.040 -2.301 702 HG22 ILE 87 2HG2 ILE 87 9.640 -4.198 -3.589 703 HG23 ILE 87 3HG2 ILE 87 7.890 -4.017 -3.445 704 HD11 ILE 87 3HD1 ILE 87 11.264 -1.550 -2.998 705 HD12 ILE 87 1HD1 ILE 87 10.399 -0.485 -4.105 706 HD13 ILE 87 2HD1 ILE 87 10.414 -2.229 -4.390 707 H ILE 88 H ILE 88 5.708 -3.719 -0.059 708 HA ILE 88 HA ILE 88 6.939 -5.934 1.443 709 HB ILE 88 HB ILE 88 5.630 -4.588 2.919 710 HG12 ILE 88 2HG1 ILE 88 3.896 -6.985 2.161 711 HG13 ILE 88 1HG1 ILE 88 5.336 -7.058 3.171 712 HG21 ILE 88 1HG2 ILE 88 3.280 -3.952 2.562 713 HG22 ILE 88 2HG2 ILE 88 3.304 -4.731 0.978 714 HG23 ILE 88 3HG2 ILE 88 4.317 -3.314 1.278 715 HD11 ILE 88 3HD1 ILE 88 3.333 -7.129 4.501 716 HD12 ILE 88 1HD1 ILE 88 2.783 -5.598 3.824 717 HD13 ILE 88 2HD1 ILE 88 4.232 -5.650 4.835 718 H VAL 89 H VAL 89 7.026 -7.706 0.246 719 HA VAL 89 HA VAL 89 5.022 -8.386 -1.705 720 HB VAL 89 HB VAL 89 7.313 -9.000 -2.122 721 HG11 VAL 89 1HG1 VAL 89 8.149 -9.308 0.043 722 HG12 VAL 89 2HG1 VAL 89 8.523 -10.698 -0.980 723 HG13 VAL 89 3HG1 VAL 89 7.221 -10.800 0.207 724 HG21 VAL 89 3HG2 VAL 89 5.621 -10.379 -3.208 725 HG22 VAL 89 1HG2 VAL 89 5.640 -11.492 -1.837 726 HG23 VAL 89 2HG2 VAL 89 7.069 -11.324 -2.863 727 H VAL 90 H VAL 90 3.716 -10.193 -1.645 728 HA VAL 90 HA VAL 90 3.010 -11.376 0.967 729 HB VAL 90 HB VAL 90 1.218 -9.838 0.401 730 HG11 VAL 90 1HG1 VAL 90 0.102 -9.759 -1.717 731 HG12 VAL 90 2HG1 VAL 90 1.237 -10.950 -2.369 732 HG13 VAL 90 3HG1 VAL 90 1.817 -9.362 -1.849 733 HG21 VAL 90 3HG2 VAL 90 -0.733 -11.273 0.024 734 HG22 VAL 90 1HG2 VAL 90 0.392 -12.029 1.157 735 HG23 VAL 90 2HG2 VAL 90 0.321 -12.580 -0.521 736 H LYS 91 H LYS 91 3.020 -13.602 0.889 737 HA LYS 91 HA LYS 91 3.174 -14.973 -1.663 738 HB2 LYS 91 2HB LYS 91 4.777 -15.529 0.091 739 HB3 LYS 91 1HB LYS 91 3.472 -15.903 1.211 740 HG2 LYS 91 2HG LYS 91 2.820 -17.810 -0.065 741 HG3 LYS 91 1HG LYS 91 3.911 -17.392 -1.391 742 HD2 LYS 91 2HD LYS 91 4.765 -18.201 1.423 743 HD3 LYS 91 1HD LYS 91 4.808 -19.241 -0.006 744 HE2 LYS 91 2HE LYS 91 6.441 -16.710 0.435 745 HE3 LYS 91 1HE LYS 91 7.039 -18.369 0.425 746 HZ1 LYS 91 3HZ LYS 91 7.485 -17.217 -1.653 747 HZ2 LYS 91 1HZ LYS 91 5.832 -16.973 -1.905 748 HZ3 LYS 91 2HZ LYS 91 6.467 -18.543 -1.906 749 H TYR 92 H TYR 92 1.192 -14.961 -2.518 750 HA TYR 92 HA TYR 92 -1.163 -16.006 -1.160 751 HB2 TYR 92 2HB TYR 92 -0.595 -15.321 -4.073 752 HB3 TYR 92 1HB TYR 92 -2.132 -15.946 -3.506 753 HD1 TYR 92 1HD TYR 92 -3.645 -14.524 -2.159 754 HD2 TYR 92 2HD TYR 92 0.016 -12.983 -3.696 755 HE1 TYR 92 1HE TYR 92 -4.435 -12.252 -1.761 756 HE2 TYR 92 2HE TYR 92 -0.785 -10.713 -3.276 757 HH TYR 92 HH TYR 92 -2.920 -9.531 -3.105 758 H GLU 93 H GLU 93 -2.305 -17.832 -2.629 759 HA GLU 93 HA GLU 93 -1.081 -20.282 -2.305 760 HB2 GLU 93 2HB GLU 93 -3.532 -19.930 -2.627 761 HB3 GLU 93 1HB GLU 93 -3.238 -19.505 -4.309 762 HG2 GLU 93 2HG GLU 93 -2.287 -21.807 -4.650 763 HG3 GLU 93 1HG GLU 93 -2.798 -22.205 -3.014 764 H GLU 94 H GLU 94 -1.334 -18.352 -5.243 765 HA GLU 94 HA GLU 94 0.226 -20.264 -6.852 766 HB2 GLU 94 2HB GLU 94 -1.635 -18.035 -7.782 767 HB3 GLU 94 1HB GLU 94 -0.917 -19.290 -8.793 768 HG2 GLU 94 2HG GLU 94 -2.258 -20.996 -7.674 769 HG3 GLU 94 1HG GLU 94 -2.906 -19.800 -6.555 770 H GLY 95 H GLY 95 0.070 -16.838 -5.888 771 HA2 GLY 95 2HA GLY 95 2.566 -16.274 -7.415 772 HA3 GLY 95 1HA GLY 95 1.155 -15.237 -7.578 773 H ASN 96 H ASN 96 3.368 -14.015 -6.905 774 HA ASN 96 HA ASN 96 2.985 -13.224 -4.070 775 HB2 ASN 96 2HB ASN 96 5.631 -13.205 -5.584 776 HB3 ASN 96 1HB ASN 96 5.386 -12.630 -3.947 777 HD21 ASN 96 1HD2 ASN 96 7.163 -14.742 -5.025 778 HD22 ASN 96 2HD2 ASN 96 6.818 -16.141 -4.077 779 H VAL 97 H VAL 97 2.872 -11.000 -3.735 780 HA VAL 97 HA VAL 97 3.247 -9.291 -6.139 781 HB VAL 97 HB VAL 97 1.146 -8.705 -4.010 782 HG11 VAL 97 1HG1 VAL 97 1.492 -7.677 -6.844 783 HG12 VAL 97 2HG1 VAL 97 1.845 -6.789 -5.359 784 HG13 VAL 97 3HG1 VAL 97 0.180 -7.231 -5.746 785 HG21 VAL 97 3HG2 VAL 97 -0.594 -9.539 -5.545 786 HG22 VAL 97 1HG2 VAL 97 0.474 -10.817 -4.949 787 HG23 VAL 97 2HG2 VAL 97 0.668 -10.191 -6.596 788 H ASN 98 H ASN 98 4.954 -8.032 -5.741 789 HA ASN 98 HA ASN 98 5.852 -7.313 -3.051 790 HB2 ASN 98 2HB ASN 98 6.975 -6.621 -5.809 791 HB3 ASN 98 1HB ASN 98 7.743 -6.190 -4.290 792 HD21 ASN 98 1HD2 ASN 98 6.796 -8.871 -6.349 793 HD22 ASN 98 2HD2 ASN 98 7.955 -9.989 -5.737 794 H TYR 99 H TYR 99 3.872 -6.104 -2.554 795 HA TYR 99 HA TYR 99 2.837 -3.926 -4.002 796 HB2 TYR 99 2HB TYR 99 2.676 -4.713 -1.069 797 HB3 TYR 99 1HB TYR 99 1.826 -3.314 -1.694 798 HD1 TYR 99 1HD TYR 99 0.229 -3.765 -3.754 799 HD2 TYR 99 2HD TYR 99 1.557 -6.776 -1.047 800 HE1 TYR 99 1HE TYR 99 -1.703 -5.168 -4.353 801 HE2 TYR 99 2HE TYR 99 -0.367 -8.148 -1.645 802 HH TYR 99 HH TYR 99 -2.687 -7.761 -2.531 803 H SER 100 H SER 100 4.297 -2.295 -4.570 804 HA SER 100 HA SER 100 5.940 -0.936 -2.612 805 HB2 SER 100 2HB SER 100 6.627 -1.175 -5.010 806 HB3 SER 100 1HB SER 100 5.328 -0.091 -5.467 807 HG SER 100 HG SER 100 7.298 0.617 -3.580 808 H LEU 101 H LEU 101 4.316 -0.411 -1.132 809 HA LEU 101 HA LEU 101 2.190 1.495 -1.791 810 HB2 LEU 101 2HB LEU 101 2.743 -0.434 0.404 811 HB3 LEU 101 1HB LEU 101 1.973 1.040 0.936 812 HG LEU 101 HG LEU 101 0.334 -0.789 0.395 813 HD11 LEU 101 1HD1 LEU 101 -0.345 1.471 0.391 814 HD12 LEU 101 2HD1 LEU 101 -1.187 0.578 -0.862 815 HD13 LEU 101 3HD1 LEU 101 0.136 1.670 -1.294 816 HD21 LEU 101 3HD2 LEU 101 -0.118 -1.444 -1.872 817 HD22 LEU 101 1HD2 LEU 101 1.557 -1.813 -1.481 818 HD23 LEU 101 2HD2 LEU 101 1.181 -0.406 -2.475 819 H ALA 102 H ALA 102 1.855 3.462 -0.410 820 HA ALA 102 HA ALA 102 4.091 4.592 1.017 821 HB1 ALA 102 1HB ALA 102 3.369 5.828 -1.664 822 HB2 ALA 102 2HB ALA 102 4.864 4.968 -1.296 823 HB3 ALA 102 3HB ALA 102 4.507 6.495 -0.490 824 H TYR 103 H TYR 103 3.607 6.512 2.088 825 HA TYR 103 HA TYR 103 0.978 7.685 2.148 826 HB2 TYR 103 2HB TYR 103 1.070 6.897 4.825 827 HB3 TYR 103 1HB TYR 103 0.105 6.165 3.563 828 HD1 TYR 103 2HD TYR 103 3.715 5.846 4.621 829 HD2 TYR 103 1HD TYR 103 0.035 3.894 3.684 830 HE1 TYR 103 2HE TYR 103 4.783 3.658 4.901 831 HE2 TYR 103 1HE TYR 103 1.102 1.719 3.949 832 HH TYR 103 HH TYR 103 3.215 0.745 3.929 833 H ASP 104 H ASP 104 0.816 9.161 4.102 834 HA ASP 104 HA ASP 104 3.328 10.678 4.392 835 HB2 ASP 104 2HB ASP 104 1.263 11.798 3.641 836 HB3 ASP 104 1HB ASP 104 0.442 11.378 5.058 837 H GLU 105 H GLU 105 3.501 11.814 6.581 838 HA GLU 105 HA GLU 105 3.541 10.186 8.884 839 HB2 GLU 105 2HB GLU 105 3.314 13.228 8.656 840 HB3 GLU 105 1HB GLU 105 3.739 12.356 10.127 841 HG2 GLU 105 2HG GLU 105 5.798 11.564 9.133 842 HG3 GLU 105 1HG GLU 105 5.366 12.244 7.568 843 H ASP 106 H ASP 106 0.913 11.779 7.227 844 HA ASP 106 HA ASP 106 -1.017 11.907 9.353 845 HB2 ASP 106 2HB ASP 106 -1.129 13.160 7.150 846 HB3 ASP 106 1HB ASP 106 -1.497 11.646 6.341 847 H MET 107 H MET 107 0.137 9.478 7.111 848 HA MET 107 HA MET 107 0.201 7.228 7.247 849 HB2 MET 107 2HB MET 107 -0.145 7.514 9.750 850 HB3 MET 107 1HB MET 107 -1.867 7.304 9.480 851 HG2 MET 107 2HG MET 107 -1.291 5.167 10.087 852 HG3 MET 107 1HG MET 107 -1.045 5.047 8.350 853 HE1 MET 107 3HE MET 107 2.809 4.731 7.988 854 HE2 MET 107 1HE MET 107 1.822 6.151 7.631 855 HE3 MET 107 2HE MET 107 1.236 4.539 7.212 856 H ASN 108 H ASN 108 -1.824 9.061 5.894 857 HA ASN 108 HA ASN 108 -3.852 7.171 5.000 858 HB2 ASN 108 2HB ASN 108 -4.443 9.126 3.444 859 HB3 ASN 108 1HB ASN 108 -4.710 9.365 5.135 860 HD21 ASN 108 1HD2 ASN 108 -4.808 11.591 4.587 861 HD22 ASN 108 2HD2 ASN 108 -3.367 12.502 4.366 862 H LEU 109 H LEU 109 -3.771 6.098 3.022 863 HA LEU 109 HA LEU 109 -1.336 5.810 1.628 864 HB2 LEU 109 2HB LEU 109 -4.196 5.122 0.830 865 HB3 LEU 109 1HB LEU 109 -2.852 4.837 -0.268 866 HG LEU 109 HG LEU 109 -3.252 2.762 0.758 867 HD11 LEU 109 1HD1 LEU 109 -0.961 3.978 2.290 868 HD12 LEU 109 2HD1 LEU 109 -0.903 3.345 0.640 869 HD13 LEU 109 3HD1 LEU 109 -1.234 2.257 1.986 870 HD21 LEU 109 3HD2 LEU 109 -3.331 4.086 3.466 871 HD22 LEU 109 1HD2 LEU 109 -3.421 2.344 3.163 872 HD23 LEU 109 2HD2 LEU 109 -4.696 3.408 2.567 873 H VAL 110 H VAL 110 -0.379 7.134 0.456 874 HA VAL 110 HA VAL 110 -1.756 9.407 -0.810 875 HB VAL 110 HB VAL 110 0.253 9.418 1.087 876 HG11 VAL 110 1HG1 VAL 110 2.412 10.042 0.093 877 HG12 VAL 110 2HG1 VAL 110 1.790 9.643 -1.511 878 HG13 VAL 110 3HG1 VAL 110 1.956 8.375 -0.293 879 HG21 VAL 110 3HG2 VAL 110 0.607 11.743 0.618 880 HG22 VAL 110 1HG2 VAL 110 -1.090 11.335 0.392 881 HG23 VAL 110 2HG2 VAL 110 -0.044 11.565 -1.016 882 H SER 111 H SER 111 0.163 6.564 -1.239 883 HA SER 111 HA SER 111 -0.309 6.557 -4.100 884 HB2 SER 111 2HB SER 111 2.515 6.221 -2.973 885 HB3 SER 111 1HB SER 111 2.052 5.970 -4.658 886 HG SER 111 HG SER 111 1.221 8.355 -4.180 887 H PHE 112 H PHE 112 -0.789 4.477 -4.731 888 HA PHE 112 HA PHE 112 0.019 2.187 -3.051 889 HB2 PHE 112 2HB PHE 112 -2.263 2.248 -2.458 890 HB3 PHE 112 1HB PHE 112 -2.781 2.851 -4.016 891 HD1 PHE 112 1HD PHE 112 -1.826 -0.196 -2.092 892 HD2 PHE 112 2HD PHE 112 -3.239 1.222 -5.889 893 HE1 PHE 112 1HE PHE 112 -2.431 -2.480 -2.738 894 HE2 PHE 112 2HE PHE 112 -3.849 -1.088 -6.505 895 HZ PHE 112 HZ PHE 112 -3.439 -2.941 -4.937 896 H THR 113 H THR 113 1.158 0.826 -4.204 897 HA THR 113 HA THR 113 0.546 0.316 -7.013 898 HB THR 113 HB THR 113 3.506 0.492 -6.553 899 HG1 THR 113 1HG THR 113 3.136 2.345 -5.449 900 HG21 THR 113 3HG2 THR 113 1.784 1.727 -8.714 901 HG22 THR 113 1HG2 THR 113 2.530 0.123 -8.799 902 HG23 THR 113 2HG2 THR 113 3.544 1.568 -8.736 903 H MET 114 H MET 114 1.511 -1.734 -7.699 904 HA MET 114 HA MET 114 2.174 -3.523 -5.442 905 HB2 MET 114 2HB MET 114 1.187 -4.336 -8.181 906 HB3 MET 114 1HB MET 114 1.304 -5.326 -6.761 907 HG2 MET 114 2HG MET 114 -0.933 -4.900 -6.709 908 HG3 MET 114 1HG MET 114 -0.404 -3.512 -5.796 909 HE1 MET 114 3HE MET 114 -0.590 -4.427 -9.674 910 HE2 MET 114 1HE MET 114 -2.079 -3.564 -10.045 911 HE3 MET 114 2HE MET 114 -2.094 -4.891 -8.876 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 12.988 17.976 -2.667 2 H2 GLY 1 2HT GLY 1 11.800 17.416 -1.606 3 H3 GLY 1 3HT GLY 1 11.359 18.287 -2.986 4 HA2 GLY 1 1HA GLY 1 10.914 15.979 -3.347 5 HA3 GLY 1 2HA GLY 1 12.209 16.531 -4.401 6 H GLU 2 H GLU 2 12.870 14.365 -4.612 7 HA GLU 2 HA GLU 2 14.257 12.610 -4.275 8 HB2 GLU 2 2HB GLU 2 15.691 13.752 -2.616 9 HB3 GLU 2 1HB GLU 2 14.522 13.430 -1.366 10 HG2 GLU 2 2HG GLU 2 16.438 11.929 -1.172 11 HG3 GLU 2 1HG GLU 2 14.962 11.029 -1.511 12 H ILE 3 H ILE 3 13.528 10.634 -4.208 13 HA ILE 3 HA ILE 3 11.422 9.810 -2.299 14 HB ILE 3 HB ILE 3 12.067 8.552 -5.031 15 HG12 ILE 3 2HG1 ILE 3 11.167 10.881 -5.319 16 HG13 ILE 3 1HG1 ILE 3 10.128 9.653 -6.007 17 HG21 ILE 3 1HG2 ILE 3 11.037 6.977 -3.463 18 HG22 ILE 3 2HG2 ILE 3 9.917 7.347 -4.776 19 HG23 ILE 3 3HG2 ILE 3 9.693 8.088 -3.190 20 HD11 ILE 3 3HD1 ILE 3 8.636 9.854 -4.057 21 HD12 ILE 3 1HD1 ILE 3 8.838 11.372 -4.929 22 HD13 ILE 3 2HD1 ILE 3 9.692 11.114 -3.409 23 H LEU 4 H LEU 4 12.700 8.943 -0.686 24 HA LEU 4 HA LEU 4 15.319 8.030 -1.121 25 HB2 LEU 4 2HB LEU 4 13.715 7.680 1.416 26 HB3 LEU 4 1HB LEU 4 15.462 7.620 1.255 27 HG LEU 4 HG LEU 4 15.046 10.106 0.305 28 HD11 LEU 4 1HD1 LEU 4 13.376 11.297 1.515 29 HD12 LEU 4 2HD1 LEU 4 12.767 9.768 2.159 30 HD13 LEU 4 3HD1 LEU 4 12.731 10.078 0.420 31 HD21 LEU 4 3HD2 LEU 4 15.162 9.488 3.259 32 HD22 LEU 4 1HD2 LEU 4 15.618 11.015 2.498 33 HD23 LEU 4 2HD2 LEU 4 16.550 9.557 2.168 34 H LYS 5 H LYS 5 16.127 6.036 -0.087 35 HA LYS 5 HA LYS 5 14.735 3.644 -1.113 36 HB2 LYS 5 2HB LYS 5 16.955 2.648 -1.132 37 HB3 LYS 5 1HB LYS 5 16.983 4.209 -1.956 38 HG2 LYS 5 2HG LYS 5 17.747 5.175 0.347 39 HG3 LYS 5 1HG LYS 5 18.077 3.495 0.757 40 HD2 LYS 5 2HD LYS 5 19.268 5.037 -1.564 41 HD3 LYS 5 1HD LYS 5 20.091 4.692 -0.043 42 HE2 LYS 5 2HE LYS 5 20.106 2.312 -0.524 43 HE3 LYS 5 1HE LYS 5 19.110 2.549 -1.961 44 HZ1 LYS 5 3HZ LYS 5 21.448 2.270 -2.504 45 HZ2 LYS 5 1HZ LYS 5 21.847 3.628 -1.578 46 HZ3 LYS 5 2HZ LYS 5 20.895 3.800 -2.963 47 H GLU 6 H GLU 6 14.764 5.210 1.672 48 HA GLU 6 HA GLU 6 14.420 2.931 3.446 49 HB2 GLU 6 2HB GLU 6 16.108 3.705 5.077 50 HB3 GLU 6 1HB GLU 6 16.888 3.339 3.540 51 HG2 GLU 6 2HG GLU 6 16.889 5.767 2.994 52 HG3 GLU 6 1HG GLU 6 16.170 6.114 4.565 53 H LEU 7 H LEU 7 13.781 3.810 5.663 54 HA LEU 7 HA LEU 7 11.943 6.048 5.435 55 HB2 LEU 7 2HB LEU 7 12.652 4.280 7.812 56 HB3 LEU 7 1HB LEU 7 11.412 5.529 7.844 57 HG LEU 7 HG LEU 7 11.392 2.892 6.351 58 HD11 LEU 7 1HD1 LEU 7 10.743 2.798 8.695 59 HD12 LEU 7 2HD1 LEU 7 9.395 2.430 7.626 60 HD13 LEU 7 3HD1 LEU 7 9.486 4.010 8.414 61 HD21 LEU 7 3HD2 LEU 7 9.248 3.489 5.356 62 HD22 LEU 7 1HD2 LEU 7 10.502 4.605 4.822 63 HD23 LEU 7 2HD2 LEU 7 9.339 5.115 6.051 64 HA PRO 8 HA PRO 8 15.145 8.834 7.242 65 HB2 PRO 8 2HB PRO 8 13.728 11.163 6.720 66 HB3 PRO 8 1HB PRO 8 14.832 10.407 5.553 67 HG2 PRO 8 2HG PRO 8 11.845 10.259 5.685 68 HG3 PRO 8 1HG PRO 8 12.904 10.398 4.264 69 HD2 PRO 8 2HD PRO 8 11.788 8.019 5.028 70 HD3 PRO 8 1HD PRO 8 13.344 8.111 4.198 71 H GLU 9 H GLU 9 14.873 10.421 8.990 72 HA GLU 9 HA GLU 9 13.453 9.380 11.183 73 HB2 GLU 9 2HB GLU 9 14.685 12.144 10.786 74 HB3 GLU 9 1HB GLU 9 14.155 11.498 12.345 75 HG2 GLU 9 2HG GLU 9 15.776 9.714 12.217 76 HG3 GLU 9 1HG GLU 9 16.242 10.199 10.590 77 H GLY 10 H GLY 10 11.435 9.684 11.912 78 HA2 GLY 10 2HA GLY 10 9.581 11.347 12.229 79 HA3 GLY 10 1HA GLY 10 9.729 11.647 10.508 80 H PHE 11 H PHE 11 10.259 8.643 10.147 81 HA PHE 11 HA PHE 11 7.481 7.635 10.484 82 HB2 PHE 11 2HB PHE 11 9.480 6.509 8.490 83 HB3 PHE 11 1HB PHE 11 7.757 6.276 8.513 84 HD1 PHE 11 2HD PHE 11 6.271 8.412 8.037 85 HD2 PHE 11 1HD PHE 11 10.414 8.127 7.160 86 HE1 PHE 11 2HE PHE 11 6.056 10.277 6.486 87 HE2 PHE 11 1HE PHE 11 10.197 10.008 5.594 88 HZ PHE 11 HZ PHE 11 8.023 11.070 5.263 89 H ASP 12 H ASP 12 7.554 5.093 10.531 90 HA ASP 12 HA ASP 12 9.718 4.030 12.235 91 HB2 ASP 12 2HB ASP 12 7.947 4.907 13.769 92 HB3 ASP 12 1HB ASP 12 6.755 3.926 12.968 93 H LYS 13 H LYS 13 10.166 1.928 11.687 94 HA LYS 13 HA LYS 13 9.195 0.829 9.328 95 HB2 LYS 13 2HB LYS 13 10.772 -0.438 11.592 96 HB3 LYS 13 1HB LYS 13 10.585 -1.110 9.991 97 HG2 LYS 13 2HG LYS 13 11.760 0.834 9.013 98 HG3 LYS 13 1HG LYS 13 11.946 1.521 10.630 99 HD2 LYS 13 2HD LYS 13 14.028 0.443 10.003 100 HD3 LYS 13 1HD LYS 13 13.271 -0.499 11.287 101 HE2 LYS 13 2HE LYS 13 12.407 -2.082 9.576 102 HE3 LYS 13 1HE LYS 13 13.237 -1.143 8.328 103 HZ1 LYS 13 3HZ LYS 13 15.338 -1.642 9.440 104 HZ2 LYS 13 1HZ LYS 13 14.534 -3.055 8.988 105 HZ3 LYS 13 2HZ LYS 13 14.527 -2.561 10.601 106 H GLU 14 H GLU 14 8.353 0.175 12.693 107 HA GLU 14 HA GLU 14 6.817 -2.219 12.148 108 HB2 GLU 14 2HB GLU 14 6.880 -0.473 14.648 109 HB3 GLU 14 1HB GLU 14 6.191 -2.092 14.547 110 HG2 GLU 14 2HG GLU 14 9.124 -1.394 14.165 111 HG3 GLU 14 1HG GLU 14 8.416 -2.051 15.638 112 H THR 15 H THR 15 6.168 1.199 12.574 113 HA THR 15 HA THR 15 3.314 1.098 12.553 114 HB THR 15 HB THR 15 5.298 3.377 12.019 115 HG1 THR 15 1HG THR 15 5.232 2.442 14.143 116 HG21 THR 15 3HG2 THR 15 3.422 4.947 12.355 117 HG22 THR 15 1HG2 THR 15 2.290 3.606 12.492 118 HG23 THR 15 2HG2 THR 15 3.101 3.919 10.954 119 H VAL 16 H VAL 16 5.810 1.404 10.090 120 HA VAL 16 HA VAL 16 3.977 1.981 7.933 121 HB VAL 16 HB VAL 16 7.002 1.650 7.961 122 HG11 VAL 16 1HG1 VAL 16 7.023 2.593 5.663 123 HG12 VAL 16 2HG1 VAL 16 5.259 2.519 5.624 124 HG13 VAL 16 3HG1 VAL 16 6.204 1.031 5.720 125 HG21 VAL 16 3HG2 VAL 16 7.048 4.111 7.632 126 HG22 VAL 16 1HG2 VAL 16 6.172 3.689 9.108 127 HG23 VAL 16 2HG2 VAL 16 5.281 4.150 7.656 128 H ARG 17 H ARG 17 5.540 -0.791 9.278 129 HA ARG 17 HA ARG 17 5.086 -2.688 7.217 130 HB2 ARG 17 2HB ARG 17 6.546 -3.210 9.126 131 HB3 ARG 17 1HB ARG 17 5.209 -3.017 10.250 132 HG2 ARG 17 2HG ARG 17 5.668 -5.372 9.958 133 HG3 ARG 17 1HG ARG 17 4.094 -4.998 9.257 134 HD2 ARG 17 2HD ARG 17 5.133 -4.979 6.997 135 HD3 ARG 17 1HD ARG 17 6.686 -5.386 7.732 136 HE ARG 17 HE ARG 17 4.432 -7.190 8.220 137 HH11 ARG 17 1HH1 ARG 17 7.462 -6.685 6.483 138 HH12 ARG 17 2HH1 ARG 17 7.611 -8.355 6.049 139 HH21 ARG 17 1HH2 ARG 17 4.618 -9.338 7.580 140 HH22 ARG 17 2HH2 ARG 17 6.001 -9.856 6.671 141 H LYS 18 H LYS 18 3.212 -1.946 10.168 142 HA LYS 18 HA LYS 18 1.092 -3.703 9.692 143 HB2 LYS 18 2HB LYS 18 1.855 -1.662 11.692 144 HB3 LYS 18 1HB LYS 18 0.142 -1.879 11.536 145 HG2 LYS 18 2HG LYS 18 1.105 -3.269 13.338 146 HG3 LYS 18 1HG LYS 18 0.318 -4.240 12.091 147 HD2 LYS 18 2HD LYS 18 2.553 -4.741 11.088 148 HD3 LYS 18 1HD LYS 18 3.324 -3.777 12.350 149 HE2 LYS 18 2HE LYS 18 1.682 -6.290 12.836 150 HE3 LYS 18 1HE LYS 18 3.444 -6.218 12.801 151 HZ1 LYS 18 3HZ LYS 18 3.379 -4.707 14.690 152 HZ2 LYS 18 1HZ LYS 18 2.611 -6.170 15.052 153 HZ3 LYS 18 2HZ LYS 18 1.691 -4.792 14.724 154 H GLN 19 H GLN 19 1.474 -0.220 9.127 155 HA GLN 19 HA GLN 19 -1.170 0.047 7.923 156 HB2 GLN 19 2HB GLN 19 -0.056 1.896 9.312 157 HB3 GLN 19 1HB GLN 19 1.041 2.127 7.955 158 HG2 GLN 19 2HG GLN 19 -0.775 3.790 7.945 159 HG3 GLN 19 1HG GLN 19 -0.810 2.785 6.503 160 HE21 GLN 19 1HE2 GLN 19 -2.615 1.526 6.115 161 HE22 GLN 19 2HE2 GLN 19 -4.022 1.540 7.110 162 H ALA 20 H ALA 20 -0.411 -1.738 6.558 163 HA ALA 20 HA ALA 20 -0.209 -0.873 3.899 164 HB1 ALA 20 1HB ALA 20 1.856 -2.094 3.222 165 HB2 ALA 20 2HB ALA 20 2.217 -2.415 4.924 166 HB3 ALA 20 3HB ALA 20 2.212 -0.756 4.317 167 H MET 21 H MET 21 0.466 -3.538 6.137 168 HA MET 21 HA MET 21 -0.496 -5.674 4.562 169 HB2 MET 21 2HB MET 21 -0.249 -5.515 7.602 170 HB3 MET 21 1HB MET 21 -0.454 -6.994 6.665 171 HG2 MET 21 2HG MET 21 1.713 -6.305 5.455 172 HG3 MET 21 1HG MET 21 1.942 -5.176 6.787 173 HE1 MET 21 3HE MET 21 2.223 -6.022 9.377 174 HE2 MET 21 1HE MET 21 2.188 -7.729 9.819 175 HE3 MET 21 2HE MET 21 0.720 -6.945 9.241 176 H GLU 22 H GLU 22 -2.086 -3.550 6.908 177 HA GLU 22 HA GLU 22 -4.639 -4.716 6.965 178 HB2 GLU 22 2HB GLU 22 -3.936 -1.739 7.084 179 HB3 GLU 22 1HB GLU 22 -5.474 -2.442 7.581 180 HG2 GLU 22 2HG GLU 22 -2.775 -2.929 8.877 181 HG3 GLU 22 1HG GLU 22 -4.060 -1.907 9.515 182 H ASP 23 H ASP 23 -3.339 -2.135 4.890 183 HA ASP 23 HA ASP 23 -5.615 -1.622 3.347 184 HB2 ASP 23 2HB ASP 23 -2.706 -1.198 2.526 185 HB3 ASP 23 1HB ASP 23 -4.109 -0.368 1.852 186 H ILE 24 H ILE 24 -3.088 -3.992 2.954 187 HA ILE 24 HA ILE 24 -3.577 -4.855 0.299 188 HB ILE 24 HB ILE 24 -2.333 -6.236 2.717 189 HG12 ILE 24 2HG1 ILE 24 -1.024 -5.120 0.196 190 HG13 ILE 24 1HG1 ILE 24 -1.160 -4.238 1.711 191 HG21 ILE 24 1HG2 ILE 24 -3.201 -8.026 1.279 192 HG22 ILE 24 2HG2 ILE 24 -1.439 -7.985 1.188 193 HG23 ILE 24 3HG2 ILE 24 -2.407 -7.315 -0.128 194 HD11 ILE 24 3HD1 ILE 24 0.228 -5.939 2.809 195 HD12 ILE 24 1HD1 ILE 24 1.044 -5.151 1.458 196 HD13 ILE 24 2HD1 ILE 24 0.393 -6.779 1.262 197 H GLU 25 H GLU 25 -4.695 -6.096 3.478 198 HA GLU 25 HA GLU 25 -6.207 -8.231 2.399 199 HB2 GLU 25 2HB GLU 25 -6.169 -7.025 5.179 200 HB3 GLU 25 1HB GLU 25 -7.064 -8.491 4.760 201 HG2 GLU 25 2HG GLU 25 -4.979 -9.617 4.143 202 HG3 GLU 25 1HG GLU 25 -4.055 -8.159 4.511 203 H ILE 26 H ILE 26 -7.023 -4.988 3.217 204 HA ILE 26 HA ILE 26 -9.901 -5.317 3.062 205 HB ILE 26 HB ILE 26 -8.134 -2.827 3.209 206 HG12 ILE 26 2HG1 ILE 26 -9.692 -4.115 5.502 207 HG13 ILE 26 1HG1 ILE 26 -8.034 -4.571 5.133 208 HG21 ILE 26 1HG2 ILE 26 -10.380 -2.251 2.354 209 HG22 ILE 26 2HG2 ILE 26 -10.132 -1.606 3.977 210 HG23 ILE 26 3HG2 ILE 26 -11.120 -3.050 3.743 211 HD11 ILE 26 3HD1 ILE 26 -8.168 -2.978 6.942 212 HD12 ILE 26 1HD1 ILE 26 -8.928 -1.798 5.871 213 HD13 ILE 26 2HD1 ILE 26 -7.276 -2.347 5.562 214 H ALA 27 H ALA 27 -7.273 -4.664 0.864 215 HA ALA 27 HA ALA 27 -8.913 -3.631 -1.318 216 HB1 ALA 27 1HB ALA 27 -6.561 -2.927 -1.136 217 HB2 ALA 27 2HB ALA 27 -6.849 -3.764 -2.664 218 HB3 ALA 27 3HB ALA 27 -6.031 -4.598 -1.337 219 H GLN 28 H GLN 28 -7.447 -6.711 -0.332 220 HA GLN 28 HA GLN 28 -8.217 -8.350 -2.489 221 HB2 GLN 28 2HB GLN 28 -7.967 -9.055 0.468 222 HB3 GLN 28 1HB GLN 28 -8.087 -10.233 -0.833 223 HG2 GLN 28 2HG GLN 28 -5.918 -9.545 -1.704 224 HG3 GLN 28 1HG GLN 28 -5.807 -8.266 -0.493 225 HE21 GLN 28 1HE2 GLN 28 -7.070 -11.504 0.205 226 HE22 GLN 28 2HE2 GLN 28 -5.766 -11.977 1.226 227 H SER 29 H SER 29 -9.848 -7.463 0.523 228 HA SER 29 HA SER 29 -12.235 -8.995 0.044 229 HB2 SER 29 2HB SER 29 -11.614 -6.882 2.154 230 HB3 SER 29 1HB SER 29 -13.015 -7.961 2.169 231 HG SER 29 HG SER 29 -10.512 -8.426 3.019 232 H LYS 30 H LYS 30 -11.227 -6.268 -1.458 233 HA LYS 30 HA LYS 30 -12.092 -4.621 -2.679 234 HB2 LYS 30 2HB LYS 30 -13.931 -5.204 -4.162 235 HB3 LYS 30 1HB LYS 30 -12.875 -6.586 -3.935 236 HG2 LYS 30 2HG LYS 30 -14.580 -7.470 -2.246 237 HG3 LYS 30 1HG LYS 30 -15.652 -6.174 -2.780 238 HD2 LYS 30 2HD LYS 30 -16.207 -8.256 -3.931 239 HD3 LYS 30 1HD LYS 30 -15.580 -7.078 -5.089 240 HE2 LYS 30 2HE LYS 30 -13.373 -8.192 -5.022 241 HE3 LYS 30 1HE LYS 30 -13.992 -9.358 -3.850 242 HZ1 LYS 30 3HZ LYS 30 -15.505 -10.184 -5.462 243 HZ2 LYS 30 1HZ LYS 30 -13.962 -10.179 -6.140 244 HZ3 LYS 30 2HZ LYS 30 -15.080 -8.995 -6.582 245 H ASP 31 H ASP 31 -12.332 -3.898 -0.209 246 HA ASP 31 HA ASP 31 -14.958 -2.688 0.234 247 HB2 ASP 31 2HB ASP 31 -12.308 -2.334 1.713 248 HB3 ASP 31 1HB ASP 31 -13.808 -1.528 2.158 249 H TYR 32 H TYR 32 -15.492 -0.820 -0.710 250 HA TYR 32 HA TYR 32 -13.454 0.630 -2.242 251 HB2 TYR 32 2HB TYR 32 -16.407 1.330 -2.334 252 HB3 TYR 32 1HB TYR 32 -15.202 1.437 -3.616 253 HD1 TYR 32 2HD TYR 32 -14.073 -1.144 -3.956 254 HD2 TYR 32 1HD TYR 32 -18.092 -0.205 -2.864 255 HE1 TYR 32 2HE TYR 32 -14.774 -3.347 -4.735 256 HE2 TYR 32 1HE TYR 32 -18.817 -2.424 -3.668 257 HH TYR 32 HH TYR 32 -16.621 -4.923 -4.394 258 H GLU 33 H GLU 33 -16.200 1.438 -0.105 259 HA GLU 33 HA GLU 33 -15.350 4.192 0.234 260 HB2 GLU 33 2HB GLU 33 -17.605 2.748 1.700 261 HB3 GLU 33 1HB GLU 33 -17.404 4.483 1.501 262 HG2 GLU 33 2HG GLU 33 -19.131 3.924 -0.000 263 HG3 GLU 33 1HG GLU 33 -17.705 4.077 -1.016 264 H SER 34 H SER 34 -15.333 1.224 2.166 265 HA SER 34 HA SER 34 -14.580 2.281 4.671 266 HB2 SER 34 2HB SER 34 -13.721 -0.433 3.573 267 HB3 SER 34 1HB SER 34 -13.983 0.012 5.267 268 HG SER 34 HG SER 34 -15.706 -1.197 4.264 269 H TRP 35 H TRP 35 -12.689 0.920 2.033 270 HA TRP 35 HA TRP 35 -10.106 1.373 3.160 271 HB2 TRP 35 2HB TRP 35 -10.817 -0.456 1.533 272 HB3 TRP 35 1HB TRP 35 -10.865 0.772 0.275 273 HD1 TRP 35 HD TRP 35 -8.123 0.056 2.961 274 HE1 TRP 35 1HE TRP 35 -5.909 -0.263 1.719 275 HE3 TRP 35 3HE TRP 35 -9.790 0.515 -1.853 276 HZ2 TRP 35 2HZ TRP 35 -4.984 -0.356 -0.911 277 HZ3 TRP 35 3HZ TRP 35 -8.158 0.275 -3.672 278 HH2 TRP 35 HH TRP 35 -5.817 -0.143 -3.212 279 H LYS 36 H LYS 36 -12.241 3.097 1.052 280 HA LYS 36 HA LYS 36 -10.722 5.030 -0.232 281 HB2 LYS 36 2HB LYS 36 -13.261 4.439 -0.318 282 HB3 LYS 36 1HB LYS 36 -13.445 5.483 1.064 283 HG2 LYS 36 2HG LYS 36 -12.305 6.513 -1.512 284 HG3 LYS 36 1HG LYS 36 -14.047 6.334 -1.304 285 HD2 LYS 36 2HD LYS 36 -12.326 7.898 0.600 286 HD3 LYS 36 1HD LYS 36 -13.034 8.629 -0.831 287 HE2 LYS 36 2HE LYS 36 -14.399 9.211 0.987 288 HE3 LYS 36 1HE LYS 36 -15.289 7.961 0.111 289 HZ1 LYS 36 3HZ LYS 36 -14.639 6.345 1.775 290 HZ2 LYS 36 1HZ LYS 36 -15.346 7.673 2.544 291 HZ3 LYS 36 2HZ LYS 36 -13.670 7.480 2.569 292 H SER 37 H SER 37 -12.120 5.011 3.025 293 HA SER 37 HA SER 37 -11.393 7.637 3.811 294 HB2 SER 37 2HB SER 37 -12.097 5.211 5.528 295 HB3 SER 37 1HB SER 37 -12.178 6.908 6.033 296 HG SER 37 HG SER 37 -14.185 5.828 5.235 297 H ARG 38 H ARG 38 -9.359 4.951 3.398 298 HA ARG 38 HA ARG 38 -7.427 5.745 5.459 299 HB2 ARG 38 2HB ARG 38 -7.427 3.443 3.459 300 HB3 ARG 38 1HB ARG 38 -6.083 3.785 4.544 301 HG2 ARG 38 2HG ARG 38 -8.899 3.009 5.366 302 HG3 ARG 38 1HG ARG 38 -7.452 1.999 5.465 303 HD2 ARG 38 2HD ARG 38 -6.471 3.539 7.121 304 HD3 ARG 38 1HD ARG 38 -7.882 4.599 6.992 305 HE ARG 38 HE ARG 38 -8.375 1.836 7.792 306 HH11 ARG 38 1HH1 ARG 38 -8.016 5.170 8.875 307 HH12 ARG 38 2HH1 ARG 38 -8.776 4.877 10.408 308 HH21 ARG 38 1HH2 ARG 38 -9.323 1.464 9.828 309 HH22 ARG 38 2HH2 ARG 38 -9.513 2.780 10.943 310 H PHE 39 H PHE 39 -8.126 6.606 2.248 311 HA PHE 39 HA PHE 39 -5.377 7.130 1.382 312 HB2 PHE 39 2HB PHE 39 -8.122 7.485 0.101 313 HB3 PHE 39 1HB PHE 39 -6.673 8.174 -0.643 314 HD1 PHE 39 1HD PHE 39 -7.964 4.903 0.684 315 HD2 PHE 39 2HD PHE 39 -5.397 6.863 -2.120 316 HE1 PHE 39 1HE PHE 39 -7.344 2.736 -0.282 317 HE2 PHE 39 2HE PHE 39 -4.818 4.692 -3.111 318 HZ PHE 39 HZ PHE 39 -5.788 2.623 -2.194 319 H THR 40 H THR 40 -5.237 9.457 0.175 320 HA THR 40 HA THR 40 -5.648 11.525 2.182 321 HB THR 40 HB THR 40 -4.368 12.971 0.864 322 HG1 THR 40 1HG THR 40 -4.393 13.034 -1.368 323 HG21 THR 40 3HG2 THR 40 -2.534 11.812 -0.242 324 HG22 THR 40 1HG2 THR 40 -3.485 10.325 -0.311 325 HG23 THR 40 2HG2 THR 40 -2.965 10.973 1.251 326 H LYS 41 H LYS 41 -7.032 13.231 1.921 327 HA LYS 41 HA LYS 41 -9.636 12.740 1.139 328 HB2 LYS 41 2HB LYS 41 -8.144 15.249 1.851 329 HB3 LYS 41 1HB LYS 41 -9.832 15.329 1.399 330 HG2 LYS 41 2HG LYS 41 -9.719 15.265 3.818 331 HG3 LYS 41 1HG LYS 41 -10.348 13.712 3.275 332 HD2 LYS 41 2HD LYS 41 -8.071 12.714 3.561 333 HD3 LYS 41 1HD LYS 41 -7.474 14.266 4.149 334 HE2 LYS 41 2HE LYS 41 -9.001 14.114 6.082 335 HE3 LYS 41 1HE LYS 41 -9.618 12.575 5.475 336 HZ1 LYS 41 3HZ LYS 41 -7.982 12.213 7.177 337 HZ2 LYS 41 1HZ LYS 41 -6.833 13.120 6.338 338 HZ3 LYS 41 2HZ LYS 41 -7.381 11.657 5.701 339 H ASP 42 H ASP 42 -7.025 13.973 -0.728 340 HA ASP 42 HA ASP 42 -8.484 14.939 -2.992 341 HB2 ASP 42 2HB ASP 42 -5.674 14.579 -2.162 342 HB3 ASP 42 1HB ASP 42 -5.894 14.268 -3.879 343 H LEU 43 H LEU 43 -6.685 11.903 -2.282 344 HA LEU 43 HA LEU 43 -7.301 10.667 -4.795 345 HB2 LEU 43 2HB LEU 43 -6.131 9.609 -2.203 346 HB3 LEU 43 1HB LEU 43 -6.603 8.498 -3.478 347 HG LEU 43 HG LEU 43 -5.040 9.817 -5.031 348 HD11 LEU 43 1HD1 LEU 43 -3.230 11.092 -4.081 349 HD12 LEU 43 2HD1 LEU 43 -3.931 10.920 -2.471 350 HD13 LEU 43 3HD1 LEU 43 -4.788 11.831 -3.714 351 HD21 LEU 43 3HD2 LEU 43 -4.475 7.584 -4.214 352 HD22 LEU 43 1HD2 LEU 43 -3.783 8.281 -2.747 353 HD23 LEU 43 2HD2 LEU 43 -3.034 8.594 -4.316 354 H GLN 44 H GLN 44 -8.912 10.915 -1.747 355 HA GLN 44 HA GLN 44 -10.678 8.740 -1.863 356 HB2 GLN 44 2HB GLN 44 -10.840 11.401 -0.412 357 HB3 GLN 44 1HB GLN 44 -11.983 10.103 -0.172 358 HG2 GLN 44 2HG GLN 44 -10.273 8.615 0.626 359 HG3 GLN 44 1HG GLN 44 -9.011 9.775 0.245 360 HE21 GLN 44 1HE2 GLN 44 -12.005 10.635 1.804 361 HE22 GLN 44 2HE2 GLN 44 -11.285 11.048 3.285 362 H SER 45 H SER 45 -10.765 11.919 -3.284 363 HA SER 45 HA SER 45 -13.535 11.792 -4.144 364 HB2 SER 45 2HB SER 45 -12.190 13.903 -3.522 365 HB3 SER 45 1HB SER 45 -11.399 13.756 -5.076 366 HG SER 45 HG SER 45 -13.692 13.666 -5.897 367 H SER 46 H SER 46 -10.367 11.101 -5.343 368 HA SER 46 HA SER 46 -11.304 10.708 -8.143 369 HB2 SER 46 2HB SER 46 -8.530 11.440 -7.110 370 HB3 SER 46 1HB SER 46 -8.963 11.224 -8.808 371 HG SER 46 HG SER 46 -10.575 12.938 -8.375 372 H LEU 47 H LEU 47 -11.339 8.689 -5.901 373 HA LEU 47 HA LEU 47 -9.307 6.758 -6.407 374 HB2 LEU 47 2HB LEU 47 -11.786 6.782 -4.779 375 HB3 LEU 47 1HB LEU 47 -11.269 5.201 -5.335 376 HG LEU 47 HG LEU 47 -9.872 7.068 -3.404 377 HD11 LEU 47 1HD1 LEU 47 -11.392 5.377 -2.554 378 HD12 LEU 47 2HD1 LEU 47 -9.733 5.051 -2.063 379 HD13 LEU 47 3HD1 LEU 47 -10.466 4.124 -3.381 380 HD21 LEU 47 3HD2 LEU 47 -7.852 5.669 -3.477 381 HD22 LEU 47 1HD2 LEU 47 -8.100 6.510 -5.009 382 HD23 LEU 47 2HD2 LEU 47 -8.492 4.791 -4.870 383 H THR 48 H THR 48 -9.148 5.271 -7.878 384 HA THR 48 HA THR 48 -11.261 4.919 -9.902 385 HB THR 48 HB THR 48 -9.405 3.684 -11.163 386 HG1 THR 48 1HG THR 48 -7.233 4.532 -10.193 387 HG21 THR 48 3HG2 THR 48 -9.937 6.037 -11.705 388 HG22 THR 48 1HG2 THR 48 -8.210 5.720 -11.869 389 HG23 THR 48 2HG2 THR 48 -8.815 6.584 -10.453 390 H GLU 49 H GLU 49 -12.604 3.270 -9.541 391 HA GLU 49 HA GLU 49 -12.171 1.204 -7.662 392 HB2 GLU 49 2HB GLU 49 -14.225 1.553 -9.838 393 HB3 GLU 49 1HB GLU 49 -14.232 0.172 -8.778 394 HG2 GLU 49 2HG GLU 49 -14.737 1.458 -6.872 395 HG3 GLU 49 1HG GLU 49 -14.260 2.959 -7.644 396 H GLU 50 H GLU 50 -11.409 1.515 -11.029 397 HA GLU 50 HA GLU 50 -10.933 -1.085 -11.821 398 HB2 GLU 50 2HB GLU 50 -10.789 1.196 -13.098 399 HB3 GLU 50 1HB GLU 50 -9.115 1.243 -12.558 400 HG2 GLU 50 2HG GLU 50 -8.711 -0.902 -13.725 401 HG3 GLU 50 1HG GLU 50 -10.385 -0.897 -14.273 402 H SER 51 H SER 51 -8.918 1.072 -9.837 403 HA SER 51 HA SER 51 -6.602 -0.564 -9.600 404 HB2 SER 51 2HB SER 51 -6.601 1.880 -9.128 405 HB3 SER 51 1HB SER 51 -7.625 1.612 -7.724 406 HG SER 51 HG SER 51 -5.627 0.035 -7.316 407 H TYR 52 H TYR 52 -9.720 -0.927 -8.244 408 HA TYR 52 HA TYR 52 -8.777 -3.246 -6.720 409 HB2 TYR 52 2HB TYR 52 -10.725 -2.682 -5.026 410 HB3 TYR 52 1HB TYR 52 -9.151 -1.945 -4.845 411 HD1 TYR 52 2HD TYR 52 -8.829 0.485 -5.376 412 HD2 TYR 52 1HD TYR 52 -12.723 -1.258 -5.495 413 HE1 TYR 52 2HE TYR 52 -9.843 2.704 -5.121 414 HE2 TYR 52 1HE TYR 52 -13.715 0.936 -5.192 415 HH TYR 52 HH TYR 52 -12.072 3.786 -5.642 416 H ASP 53 H ASP 53 -9.838 -3.002 -9.394 417 HA ASP 53 HA ASP 53 -12.064 -4.939 -9.178 418 HB2 ASP 53 2HB ASP 53 -13.048 -2.754 -9.835 419 HB3 ASP 53 1HB ASP 53 -11.919 -2.632 -11.168 420 H SER 54 H SER 54 -10.068 -3.420 -11.764 421 HA SER 54 HA SER 54 -9.725 -5.846 -13.226 422 HB2 SER 54 2HB SER 54 -8.113 -4.545 -14.573 423 HB3 SER 54 1HB SER 54 -9.591 -3.624 -14.306 424 HG SER 54 HG SER 54 -7.588 -2.458 -13.992 425 H TYR 55 H TYR 55 -7.887 -4.130 -10.790 426 HA TYR 55 HA TYR 55 -5.544 -5.579 -10.536 427 HB2 TYR 55 2HB TYR 55 -5.558 -3.757 -9.114 428 HB3 TYR 55 1HB TYR 55 -7.272 -3.880 -8.788 429 HD1 TYR 55 1HD TYR 55 -3.919 -5.160 -7.738 430 HD2 TYR 55 2HD TYR 55 -8.072 -4.913 -6.755 431 HE1 TYR 55 1HE TYR 55 -3.436 -5.949 -5.455 432 HE2 TYR 55 2HE TYR 55 -7.588 -5.701 -4.485 433 HH TYR 55 HH TYR 55 -4.414 -5.894 -3.237 434 H LEU 56 H LEU 56 -8.809 -6.471 -9.533 435 HA LEU 56 HA LEU 56 -8.110 -8.627 -7.838 436 HB2 LEU 56 2HB LEU 56 -10.727 -8.130 -9.308 437 HB3 LEU 56 1HB LEU 56 -10.508 -9.300 -8.014 438 HG LEU 56 HG LEU 56 -10.190 -6.289 -7.678 439 HD11 LEU 56 1HD1 LEU 56 -12.344 -6.323 -6.520 440 HD12 LEU 56 2HD1 LEU 56 -12.538 -8.039 -6.894 441 HD13 LEU 56 3HD1 LEU 56 -12.511 -6.846 -8.196 442 HD21 LEU 56 3HD2 LEU 56 -10.209 -6.746 -5.264 443 HD22 LEU 56 1HD2 LEU 56 -8.858 -7.559 -6.053 444 HD23 LEU 56 2HD2 LEU 56 -10.286 -8.484 -5.576 445 H LYS 57 H LYS 57 -8.330 -8.356 -11.298 446 HA LYS 57 HA LYS 57 -8.683 -11.109 -11.925 447 HB2 LYS 57 2HB LYS 57 -7.529 -8.874 -13.608 448 HB3 LYS 57 1HB LYS 57 -8.043 -10.441 -14.206 449 HG2 LYS 57 2HG LYS 57 -9.959 -8.539 -12.824 450 HG3 LYS 57 1HG LYS 57 -9.651 -8.488 -14.545 451 HD2 LYS 57 2HD LYS 57 -11.654 -9.732 -14.335 452 HD3 LYS 57 1HD LYS 57 -10.412 -10.942 -14.637 453 HE2 LYS 57 2HE LYS 57 -10.373 -11.447 -12.189 454 HE3 LYS 57 1HE LYS 57 -11.658 -10.260 -11.949 455 HZ1 LYS 57 3HZ LYS 57 -13.093 -11.581 -13.357 456 HZ2 LYS 57 1HZ LYS 57 -12.509 -12.511 -12.071 457 HZ3 LYS 57 2HZ LYS 57 -11.860 -12.706 -13.617 458 H ILE 58 H ILE 58 -5.902 -8.990 -11.517 459 HA ILE 58 HA ILE 58 -3.868 -10.883 -12.154 460 HB ILE 58 HB ILE 58 -3.722 -8.347 -10.438 461 HG12 ILE 58 2HG1 ILE 58 -2.424 -7.425 -12.446 462 HG13 ILE 58 1HG1 ILE 58 -2.920 -8.850 -13.345 463 HG21 ILE 58 1HG2 ILE 58 -1.924 -9.858 -9.731 464 HG22 ILE 58 2HG2 ILE 58 -1.245 -8.487 -10.610 465 HG23 ILE 58 3HG2 ILE 58 -1.394 -10.057 -11.405 466 HD11 ILE 58 3HD1 ILE 58 -5.250 -8.178 -13.119 467 HD12 ILE 58 1HD1 ILE 58 -4.283 -6.903 -13.865 468 HD13 ILE 58 2HD1 ILE 58 -4.761 -6.774 -12.169 469 H LEU 59 H LEU 59 -5.435 -9.776 -9.205 470 HA LEU 59 HA LEU 59 -4.019 -11.188 -7.248 471 HB2 LEU 59 2HB LEU 59 -5.944 -9.315 -7.188 472 HB3 LEU 59 1HB LEU 59 -6.948 -10.690 -6.884 473 HG LEU 59 HG LEU 59 -5.516 -11.277 -4.908 474 HD11 LEU 59 1HD1 LEU 59 -4.210 -8.591 -5.444 475 HD12 LEU 59 2HD1 LEU 59 -3.442 -10.178 -5.567 476 HD13 LEU 59 3HD1 LEU 59 -3.985 -9.583 -4.001 477 HD21 LEU 59 3HD2 LEU 59 -6.790 -8.527 -4.821 478 HD22 LEU 59 1HD2 LEU 59 -6.448 -9.566 -3.435 479 HD23 LEU 59 2HD2 LEU 59 -7.631 -10.069 -4.638 480 H GLU 60 H GLU 60 -6.725 -12.098 -9.261 481 HA GLU 60 HA GLU 60 -7.759 -14.242 -7.924 482 HB2 GLU 60 2HB GLU 60 -8.852 -12.880 -9.686 483 HB3 GLU 60 1HB GLU 60 -7.748 -13.537 -10.879 484 HG2 GLU 60 2HG GLU 60 -8.644 -15.722 -10.555 485 HG3 GLU 60 1HG GLU 60 -9.697 -15.123 -9.295 486 H LYS 61 H LYS 61 -5.058 -13.962 -10.102 487 HA LYS 61 HA LYS 61 -4.837 -16.868 -10.523 488 HB2 LYS 61 2HB LYS 61 -3.303 -16.305 -12.397 489 HB3 LYS 61 1HB LYS 61 -4.920 -15.638 -12.601 490 HG2 LYS 61 2HG LYS 61 -4.041 -13.452 -11.754 491 HG3 LYS 61 1HG LYS 61 -2.426 -14.159 -11.750 492 HD2 LYS 61 2HD LYS 61 -2.769 -12.824 -13.786 493 HD3 LYS 61 1HD LYS 61 -2.583 -14.529 -14.199 494 HE2 LYS 61 2HE LYS 61 -5.062 -14.722 -14.396 495 HE3 LYS 61 1HE LYS 61 -5.209 -13.002 -14.033 496 HZ1 LYS 61 3HZ LYS 61 -3.980 -12.507 -16.040 497 HZ2 LYS 61 1HZ LYS 61 -5.329 -13.458 -16.401 498 HZ3 LYS 61 2HZ LYS 61 -3.790 -14.154 -16.371 499 H GLN 62 H GLN 62 -3.714 -14.556 -8.482 500 HA GLN 62 HA GLN 62 -0.978 -15.373 -8.190 501 HB2 GLN 62 2HB GLN 62 -2.809 -13.894 -6.264 502 HB3 GLN 62 1HB GLN 62 -1.091 -14.049 -6.099 503 HG2 GLN 62 2HG GLN 62 -2.560 -12.534 -8.204 504 HG3 GLN 62 1HG GLN 62 -1.646 -11.849 -6.881 505 HE21 GLN 62 1HE2 GLN 62 -1.505 -13.383 -9.974 506 HE22 GLN 62 2HE2 GLN 62 0.154 -13.092 -10.283 507 H GLY 63 H GLY 63 -3.959 -16.835 -7.324 508 HA2 GLY 63 2HA GLY 63 -4.244 -18.796 -5.986 509 HA3 GLY 63 1HA GLY 63 -2.742 -18.441 -5.158 510 H GLU 64 H GLU 64 -4.070 -18.781 -3.194 511 HA GLU 64 HA GLU 64 -5.591 -16.373 -2.406 512 HB2 GLU 64 2HB GLU 64 -6.689 -18.549 -1.986 513 HB3 GLU 64 1HB GLU 64 -5.345 -19.042 -0.967 514 HG2 GLU 64 2HG GLU 64 -5.880 -17.040 0.510 515 HG3 GLU 64 1HG GLU 64 -7.342 -16.817 -0.448 516 H PHE 65 H PHE 65 -5.000 -15.199 -0.631 517 HA PHE 65 HA PHE 65 -2.230 -14.942 -0.065 518 HB2 PHE 65 2HB PHE 65 -3.331 -12.875 0.159 519 HB3 PHE 65 1HB PHE 65 -4.717 -13.584 0.970 520 HD1 PHE 65 2HD PHE 65 -1.024 -13.446 1.797 521 HD2 PHE 65 1HD PHE 65 -5.024 -12.600 3.056 522 HE1 PHE 65 2HE PHE 65 -0.184 -12.653 3.962 523 HE2 PHE 65 1HE PHE 65 -4.168 -11.813 5.218 524 HZ PHE 65 HZ PHE 65 -1.753 -11.842 5.674 525 H LYS 66 H LYS 66 -1.056 -15.984 1.383 526 HA LYS 66 HA LYS 66 -2.323 -17.326 3.646 527 HB2 LYS 66 2HB LYS 66 -0.936 -19.353 3.124 528 HB3 LYS 66 1HB LYS 66 -2.295 -19.062 2.078 529 HG2 LYS 66 2HG LYS 66 -0.643 -19.699 0.587 530 HG3 LYS 66 1HG LYS 66 -0.554 -17.937 0.522 531 HD2 LYS 66 2HD LYS 66 1.369 -17.938 2.014 532 HD3 LYS 66 1HD LYS 66 1.255 -19.688 2.221 533 HE2 LYS 66 2HE LYS 66 1.869 -18.246 -0.376 534 HE3 LYS 66 1HE LYS 66 3.049 -19.062 0.646 535 HZ1 LYS 66 3HZ LYS 66 2.381 -20.415 -1.242 536 HZ2 LYS 66 1HZ LYS 66 0.770 -20.383 -0.729 537 HZ3 LYS 66 2HZ LYS 66 1.939 -21.152 0.213 538 H GLU 67 H GLU 67 0.345 -15.508 2.433 539 HA GLU 67 HA GLU 67 1.443 -15.156 5.067 540 HB2 GLU 67 2HB GLU 67 2.487 -17.338 4.421 541 HB3 GLU 67 1HB GLU 67 3.130 -16.595 2.958 542 HG2 GLU 67 2HG GLU 67 4.491 -15.085 4.335 543 HG3 GLU 67 1HG GLU 67 3.865 -15.829 5.800 544 H PHE 68 H PHE 68 2.954 -13.348 5.125 545 HA PHE 68 HA PHE 68 3.140 -11.734 2.664 546 HB2 PHE 68 2HB PHE 68 3.582 -11.056 5.599 547 HB3 PHE 68 1HB PHE 68 4.117 -9.978 4.316 548 HD1 PHE 68 1HD PHE 68 2.164 -9.675 2.410 549 HD2 PHE 68 2HD PHE 68 1.515 -10.405 6.579 550 HE1 PHE 68 1HE PHE 68 -0.055 -8.668 2.230 551 HE2 PHE 68 2HE PHE 68 -0.723 -9.393 6.391 552 HZ PHE 68 HZ PHE 68 -1.512 -8.521 4.219 553 H GLY 69 H GLY 69 5.074 -11.122 1.823 554 HA2 GLY 69 2HA GLY 69 7.382 -12.864 2.317 555 HA3 GLY 69 1HA GLY 69 7.037 -11.957 0.874 556 H LYS 70 H LYS 70 8.981 -11.003 0.715 557 HA LYS 70 HA LYS 70 10.427 -9.750 2.844 558 HB2 LYS 70 2HB LYS 70 11.612 -10.785 1.011 559 HB3 LYS 70 1HB LYS 70 10.726 -9.842 -0.176 560 HG2 LYS 70 2HG LYS 70 12.966 -8.975 -0.037 561 HG3 LYS 70 1HG LYS 70 11.867 -7.787 0.666 562 HD2 LYS 70 2HD LYS 70 12.503 -8.654 2.952 563 HD3 LYS 70 1HD LYS 70 13.706 -9.692 2.174 564 HE2 LYS 70 2HE LYS 70 13.634 -6.651 2.145 565 HE3 LYS 70 1HE LYS 70 14.776 -7.667 3.023 566 HZ1 LYS 70 3HZ LYS 70 14.534 -7.427 0.072 567 HZ2 LYS 70 1HZ LYS 70 15.577 -8.493 0.865 568 HZ3 LYS 70 2HZ LYS 70 15.786 -6.824 1.033 569 H CYS 71 H CYS 71 10.503 -7.640 3.402 570 HA CYS 71 HA CYS 71 8.963 -5.672 1.823 571 HB2 CYS 71 2HB CYS 71 7.695 -5.897 3.785 572 HB3 CYS 71 1HB CYS 71 9.110 -5.982 4.803 573 HG CYS 71 HG CYS 71 8.544 -3.138 3.115 574 H THR 72 H THR 72 9.871 -3.930 1.309 575 HA THR 72 HA THR 72 12.491 -3.042 2.348 576 HB THR 72 HB THR 72 11.051 -2.339 -0.266 577 HG1 THR 72 1HG THR 72 12.012 -4.502 -0.060 578 HG21 THR 72 3HG2 THR 72 13.859 -1.546 0.603 579 HG22 THR 72 1HG2 THR 72 12.469 -0.454 0.485 580 HG23 THR 72 2HG2 THR 72 13.126 -1.207 -0.968 581 H TYR 73 H TYR 73 12.545 -0.871 3.105 582 HA TYR 73 HA TYR 73 10.002 0.600 3.200 583 HB2 TYR 73 2HB TYR 73 12.280 0.819 5.208 584 HB3 TYR 73 1HB TYR 73 10.821 1.742 5.178 585 HD1 TYR 73 1HD TYR 73 8.606 0.682 5.574 586 HD2 TYR 73 2HD TYR 73 12.276 -1.411 6.195 587 HE1 TYR 73 1HE TYR 73 7.421 -0.994 6.932 588 HE2 TYR 73 2HE TYR 73 11.102 -3.076 7.546 589 HH TYR 73 HH TYR 73 7.691 -3.286 7.630 590 H LEU 74 H LEU 74 10.107 2.738 2.760 591 HA LEU 74 HA LEU 74 12.522 3.885 1.679 592 HB2 LEU 74 2HB LEU 74 11.389 4.352 -0.548 593 HB3 LEU 74 1HB LEU 74 12.030 2.785 -0.251 594 HG LEU 74 HG LEU 74 9.057 3.390 -0.162 595 HD11 LEU 74 1HD1 LEU 74 8.952 2.340 -2.358 596 HD12 LEU 74 2HD1 LEU 74 10.706 2.103 -2.345 597 HD13 LEU 74 3HD1 LEU 74 10.027 3.738 -2.401 598 HD21 LEU 74 3HD2 LEU 74 8.761 0.938 -0.369 599 HD22 LEU 74 1HD2 LEU 74 9.619 1.353 1.113 600 HD23 LEU 74 2HD2 LEU 74 10.511 0.713 -0.266 601 H GLY 75 H GLY 75 12.082 5.996 0.691 602 HA2 GLY 75 2HA GLY 75 10.268 7.499 2.516 603 HA3 GLY 75 1HA GLY 75 11.935 7.993 2.149 604 H GLN 76 H GLN 76 9.856 9.693 1.753 605 HA GLN 76 HA GLN 76 10.438 10.434 -0.986 606 HB2 GLN 76 2HB GLN 76 7.493 10.543 -0.150 607 HB3 GLN 76 1HB GLN 76 8.167 10.830 -1.741 608 HG2 GLN 76 2HG GLN 76 8.543 8.438 -2.030 609 HG3 GLN 76 1HG GLN 76 8.009 8.131 -0.381 610 HE21 GLN 76 1HE2 GLN 76 5.801 8.209 0.109 611 HE22 GLN 76 2HE2 GLN 76 4.589 8.232 -1.125 612 H ILE 77 H ILE 77 10.029 12.716 -1.307 613 HA ILE 77 HA ILE 77 8.669 14.267 0.804 614 HB ILE 77 HB ILE 77 11.223 15.295 -0.542 615 HG12 ILE 77 2HG1 ILE 77 12.049 15.290 2.023 616 HG13 ILE 77 1HG1 ILE 77 10.916 13.957 2.152 617 HG21 ILE 77 1HG2 ILE 77 9.621 17.052 -0.019 618 HG22 ILE 77 2HG2 ILE 77 11.046 17.192 1.011 619 HG23 ILE 77 3HG2 ILE 77 9.548 16.522 1.667 620 HD11 ILE 77 3HD1 ILE 77 13.278 14.125 0.297 621 HD12 ILE 77 1HD1 ILE 77 12.108 12.794 0.333 622 HD13 ILE 77 2HD1 ILE 77 13.122 13.131 1.745 623 H LYS 78 H LYS 78 7.220 15.615 -0.168 624 HA LYS 78 HA LYS 78 7.065 15.778 -3.063 625 HB2 LYS 78 2HB LYS 78 4.834 16.526 -2.728 626 HB3 LYS 78 1HB LYS 78 5.082 15.312 -1.514 627 HG2 LYS 78 2HG LYS 78 5.231 17.021 0.228 628 HG3 LYS 78 1HG LYS 78 5.128 18.303 -0.985 629 HD2 LYS 78 2HD LYS 78 2.857 17.341 -1.648 630 HD3 LYS 78 1HD LYS 78 2.967 16.303 -0.230 631 HE2 LYS 78 2HE LYS 78 1.674 18.097 0.541 632 HE3 LYS 78 1HE LYS 78 3.293 18.552 1.078 633 HZ1 LYS 78 3HZ LYS 78 2.120 20.395 0.048 634 HZ2 LYS 78 1HZ LYS 78 1.959 19.520 -1.386 635 HZ3 LYS 78 2HZ LYS 78 3.493 19.984 -0.852 636 H ASP 79 H ASP 79 5.838 18.631 -2.668 637 HA ASP 79 HA ASP 79 7.647 20.531 -3.126 638 HB2 ASP 79 2HB ASP 79 5.463 20.757 -1.007 639 HB3 ASP 79 1HB ASP 79 6.230 22.110 -1.814 640 H ASN 80 H ASN 80 6.798 19.753 0.286 641 HA ASN 80 HA ASN 80 9.580 19.831 1.124 642 HB2 ASN 80 2HB ASN 80 7.491 21.699 2.248 643 HB3 ASN 80 1HB ASN 80 8.970 21.338 3.099 644 HD21 ASN 80 1HD2 ASN 80 10.972 22.020 2.146 645 HD22 ASN 80 2HD2 ASN 80 10.978 23.334 1.035 646 H LYS 81 H LYS 81 6.463 18.501 1.401 647 HA LYS 81 HA LYS 81 6.718 17.643 4.198 648 HB2 LYS 81 2HB LYS 81 4.519 17.345 2.119 649 HB3 LYS 81 1HB LYS 81 4.447 16.536 3.675 650 HG2 LYS 81 2HG LYS 81 4.629 19.531 3.276 651 HG3 LYS 81 1HG LYS 81 3.150 18.637 3.631 652 HD2 LYS 81 2HD LYS 81 5.535 18.492 5.500 653 HD3 LYS 81 1HD LYS 81 4.416 19.845 5.580 654 HE2 LYS 81 2HE LYS 81 3.801 18.185 7.235 655 HE3 LYS 81 1HE LYS 81 2.553 18.248 5.994 656 HZ1 LYS 81 3HZ LYS 81 3.382 16.236 5.051 657 HZ2 LYS 81 1HZ LYS 81 3.164 15.989 6.706 658 HZ3 LYS 81 2HZ LYS 81 4.715 16.226 6.085 659 H LYS 82 H LYS 82 6.859 15.489 4.832 660 HA LYS 82 HA LYS 82 8.317 13.798 2.911 661 HB2 LYS 82 2HB LYS 82 8.280 13.706 5.956 662 HB3 LYS 82 1HB LYS 82 9.142 12.557 4.938 663 HG2 LYS 82 2HG LYS 82 10.815 14.059 5.574 664 HG3 LYS 82 1HG LYS 82 10.368 14.599 3.962 665 HD2 LYS 82 2HD LYS 82 8.918 16.364 4.990 666 HD3 LYS 82 1HD LYS 82 9.472 15.852 6.589 667 HE2 LYS 82 2HE LYS 82 11.788 16.450 5.965 668 HE3 LYS 82 1HE LYS 82 11.225 16.956 4.367 669 HZ1 LYS 82 3HZ LYS 82 11.490 18.815 5.895 670 HZ2 LYS 82 1HZ LYS 82 10.349 18.144 6.939 671 HZ3 LYS 82 2HZ LYS 82 9.887 18.653 5.393 672 H TYR 83 H TYR 83 7.912 11.596 2.729 673 HA TYR 83 HA TYR 83 5.274 10.565 3.537 674 HB2 TYR 83 2HB TYR 83 6.317 10.827 0.670 675 HB3 TYR 83 1HB TYR 83 4.987 9.764 1.095 676 HD1 TYR 83 1HD TYR 83 5.991 13.414 1.169 677 HD2 TYR 83 2HD TYR 83 2.813 10.586 1.093 678 HE1 TYR 83 1HE TYR 83 4.375 15.241 1.025 679 HE2 TYR 83 2HE TYR 83 1.207 12.396 0.926 680 HH TYR 83 HH TYR 83 1.055 14.767 1.563 681 H GLY 84 H GLY 84 5.307 8.430 4.055 682 HA2 GLY 84 2HA GLY 84 7.901 7.011 3.954 683 HA3 GLY 84 1HA GLY 84 6.563 6.685 5.054 684 H GLY 85 H GLY 85 8.057 4.939 3.106 685 HA2 GLY 85 2HA GLY 85 5.780 3.845 1.574 686 HA3 GLY 85 1HA GLY 85 7.389 4.021 0.873 687 H VAL 86 H VAL 86 6.144 1.632 0.912 688 HA VAL 86 HA VAL 86 7.963 -0.101 2.265 689 HB VAL 86 HB VAL 86 6.535 0.102 4.146 690 HG11 VAL 86 1HG1 VAL 86 4.094 -0.321 2.382 691 HG12 VAL 86 2HG1 VAL 86 4.602 1.211 3.096 692 HG13 VAL 86 3HG1 VAL 86 4.078 -0.113 4.138 693 HG21 VAL 86 3HG2 VAL 86 5.566 -2.142 4.471 694 HG22 VAL 86 1HG2 VAL 86 7.135 -2.243 3.668 695 HG23 VAL 86 2HG2 VAL 86 5.650 -2.441 2.735 696 H ILE 87 H ILE 87 8.476 -1.328 0.559 697 HA ILE 87 HA ILE 87 6.419 -2.293 -1.328 698 HB ILE 87 HB ILE 87 9.459 -2.643 -1.476 699 HG12 ILE 87 2HG1 ILE 87 7.673 -0.918 -3.249 700 HG13 ILE 87 1HG1 ILE 87 8.576 -0.280 -1.891 701 HG21 ILE 87 1HG2 ILE 87 7.309 -3.407 -3.505 702 HG22 ILE 87 2HG2 ILE 87 8.255 -4.536 -2.533 703 HG23 ILE 87 3HG2 ILE 87 9.052 -3.546 -3.759 704 HD11 ILE 87 3HD1 ILE 87 10.673 -0.958 -2.996 705 HD12 ILE 87 1HD1 ILE 87 9.722 0.165 -3.965 706 HD13 ILE 87 2HD1 ILE 87 9.737 -1.551 -4.371 707 H ILE 88 H ILE 88 5.381 -3.646 0.123 708 HA ILE 88 HA ILE 88 6.942 -5.853 1.301 709 HB ILE 88 HB ILE 88 5.659 -4.685 2.975 710 HG12 ILE 88 2HG1 ILE 88 4.371 -7.378 2.330 711 HG13 ILE 88 1HG1 ILE 88 5.878 -7.141 3.205 712 HG21 ILE 88 1HG2 ILE 88 3.147 -5.195 1.348 713 HG22 ILE 88 2HG2 ILE 88 3.928 -3.632 1.596 714 HG23 ILE 88 3HG2 ILE 88 3.202 -4.479 2.964 715 HD11 ILE 88 3HD1 ILE 88 4.096 -7.681 4.706 716 HD12 ILE 88 1HD1 ILE 88 3.134 -6.327 4.116 717 HD13 ILE 88 2HD1 ILE 88 4.636 -6.026 4.994 718 H VAL 89 H VAL 89 7.014 -7.556 0.155 719 HA VAL 89 HA VAL 89 5.310 -8.497 -1.851 720 HB VAL 89 HB VAL 89 7.427 -9.852 -0.109 721 HG11 VAL 89 1HG1 VAL 89 6.149 -10.943 -2.617 722 HG12 VAL 89 2HG1 VAL 89 5.915 -11.567 -0.978 723 HG13 VAL 89 3HG1 VAL 89 7.507 -11.667 -1.739 724 HG21 VAL 89 3HG2 VAL 89 7.556 -8.947 -2.975 725 HG22 VAL 89 1HG2 VAL 89 8.869 -9.668 -2.045 726 HG23 VAL 89 2HG2 VAL 89 8.254 -8.068 -1.603 727 H VAL 90 H VAL 90 3.945 -10.288 -1.748 728 HA VAL 90 HA VAL 90 3.186 -11.368 0.865 729 HB VAL 90 HB VAL 90 1.462 -9.733 0.548 730 HG11 VAL 90 1HG1 VAL 90 0.077 -9.498 -1.369 731 HG12 VAL 90 2HG1 VAL 90 1.070 -10.689 -2.217 732 HG13 VAL 90 3HG1 VAL 90 1.776 -9.156 -1.698 733 HG21 VAL 90 3HG2 VAL 90 0.310 -12.390 -0.294 734 HG22 VAL 90 1HG2 VAL 90 -0.596 -11.055 0.426 735 HG23 VAL 90 2HG2 VAL 90 0.637 -11.894 1.368 736 H LYS 91 H LYS 91 3.372 -13.469 0.774 737 HA LYS 91 HA LYS 91 3.629 -14.870 -1.756 738 HB2 LYS 91 2HB LYS 91 3.721 -15.956 1.092 739 HB3 LYS 91 1HB LYS 91 4.229 -16.804 -0.370 740 HG2 LYS 91 2HG LYS 91 6.070 -15.199 -0.680 741 HG3 LYS 91 1HG LYS 91 5.533 -14.296 0.746 742 HD2 LYS 91 2HD LYS 91 5.922 -16.363 2.126 743 HD3 LYS 91 1HD LYS 91 6.587 -17.155 0.694 744 HE2 LYS 91 2HE LYS 91 8.396 -15.513 0.601 745 HE3 LYS 91 1HE LYS 91 7.696 -14.630 1.960 746 HZ1 LYS 91 3HZ LYS 91 8.773 -17.394 2.038 747 HZ2 LYS 91 1HZ LYS 91 8.048 -16.590 3.340 748 HZ3 LYS 91 2HZ LYS 91 9.498 -16.013 2.691 749 H TYR 92 H TYR 92 1.617 -14.916 -2.669 750 HA TYR 92 HA TYR 92 -0.608 -16.290 -1.348 751 HB2 TYR 92 2HB TYR 92 -0.131 -15.399 -4.244 752 HB3 TYR 92 1HB TYR 92 -1.578 -16.244 -3.723 753 HD1 TYR 92 1HD TYR 92 0.378 -13.123 -3.040 754 HD2 TYR 92 2HD TYR 92 -3.429 -14.996 -3.009 755 HE1 TYR 92 1HE TYR 92 -0.697 -10.990 -2.501 756 HE2 TYR 92 2HE TYR 92 -4.478 -12.869 -2.477 757 HH TYR 92 HH TYR 92 -2.873 -9.905 -2.729 758 H GLU 93 H GLU 93 -1.476 -18.177 -2.804 759 HA GLU 93 HA GLU 93 0.143 -20.409 -2.625 760 HB2 GLU 93 2HB GLU 93 -2.424 -19.805 -4.090 761 HB3 GLU 93 1HB GLU 93 -1.731 -21.402 -4.155 762 HG2 GLU 93 2HG GLU 93 -2.529 -19.942 -1.617 763 HG3 GLU 93 1HG GLU 93 -3.486 -21.187 -2.421 764 H GLU 94 H GLU 94 0.214 -18.077 -5.164 765 HA GLU 94 HA GLU 94 2.029 -19.782 -6.758 766 HB2 GLU 94 2HB GLU 94 -0.170 -18.036 -7.966 767 HB3 GLU 94 1HB GLU 94 1.013 -18.982 -8.869 768 HG2 GLU 94 2HG GLU 94 0.029 -21.061 -8.099 769 HG3 GLU 94 1HG GLU 94 -1.041 -20.195 -6.996 770 H GLY 95 H GLY 95 0.788 -16.443 -6.236 771 HA2 GLY 95 2HA GLY 95 3.183 -15.331 -7.589 772 HA3 GLY 95 1HA GLY 95 1.591 -14.604 -7.571 773 H ASN 96 H ASN 96 4.405 -13.825 -6.606 774 HA ASN 96 HA ASN 96 3.747 -12.773 -3.925 775 HB2 ASN 96 2HB ASN 96 6.202 -12.260 -5.626 776 HB3 ASN 96 1HB ASN 96 5.968 -11.757 -3.974 777 HD21 ASN 96 1HD2 ASN 96 7.913 -12.781 -3.439 778 HD22 ASN 96 2HD2 ASN 96 7.995 -14.486 -3.203 779 H VAL 97 H VAL 97 2.709 -10.897 -3.791 780 HA VAL 97 HA VAL 97 2.789 -9.096 -6.135 781 HB VAL 97 HB VAL 97 0.756 -8.888 -3.869 782 HG11 VAL 97 1HG1 VAL 97 -0.648 -7.787 -5.593 783 HG12 VAL 97 2HG1 VAL 97 0.651 -7.988 -6.772 784 HG13 VAL 97 3HG1 VAL 97 0.890 -6.954 -5.362 785 HG21 VAL 97 3HG2 VAL 97 0.542 -11.156 -4.636 786 HG22 VAL 97 1HG2 VAL 97 0.467 -10.628 -6.325 787 HG23 VAL 97 2HG2 VAL 97 -0.840 -10.214 -5.207 788 H ASN 98 H ASN 98 4.270 -7.628 -5.856 789 HA ASN 98 HA ASN 98 5.392 -7.068 -3.229 790 HB2 ASN 98 2HB ASN 98 6.373 -6.035 -5.922 791 HB3 ASN 98 1HB ASN 98 7.292 -6.186 -4.426 792 HD21 ASN 98 1HD2 ASN 98 7.984 -7.285 -6.961 793 HD22 ASN 98 2HD2 ASN 98 8.048 -8.996 -6.810 794 H TYR 99 H TYR 99 3.566 -5.932 -2.459 795 HA TYR 99 HA TYR 99 2.339 -3.719 -3.706 796 HB2 TYR 99 2HB TYR 99 2.274 -4.821 -0.887 797 HB3 TYR 99 1HB TYR 99 1.406 -3.362 -1.307 798 HD1 TYR 99 2HD TYR 99 -0.286 -3.527 -3.315 799 HD2 TYR 99 1HD TYR 99 1.191 -6.903 -1.166 800 HE1 TYR 99 2HE TYR 99 -2.245 -4.845 -4.024 801 HE2 TYR 99 1HE TYR 99 -0.759 -8.194 -1.856 802 HH TYR 99 HH TYR 99 -3.098 -7.751 -2.573 803 H SER 100 H SER 100 3.756 -2.084 -4.240 804 HA SER 100 HA SER 100 5.435 -0.728 -2.344 805 HB2 SER 100 2HB SER 100 4.482 0.175 -5.096 806 HB3 SER 100 1HB SER 100 5.847 0.843 -4.194 807 HG SER 100 HG SER 100 6.143 -1.807 -4.382 808 H LEU 101 H LEU 101 3.739 -0.493 -0.714 809 HA LEU 101 HA LEU 101 1.642 1.474 -1.099 810 HB2 LEU 101 2HB LEU 101 2.428 -0.420 1.065 811 HB3 LEU 101 1HB LEU 101 1.621 1.031 1.603 812 HG LEU 101 HG LEU 101 0.061 -0.898 1.192 813 HD11 LEU 101 1HD1 LEU 101 -0.779 1.342 1.214 814 HD12 LEU 101 2HD1 LEU 101 -1.648 0.349 0.054 815 HD13 LEU 101 3HD1 LEU 101 -0.442 1.510 -0.509 816 HD21 LEU 101 3HD2 LEU 101 -0.487 -1.637 -1.018 817 HD22 LEU 101 1HD2 LEU 101 1.239 -1.858 -0.761 818 HD23 LEU 101 2HD2 LEU 101 0.665 -0.503 -1.734 819 H ALA 102 H ALA 102 1.546 3.508 -0.168 820 HA ALA 102 HA ALA 102 3.813 4.685 1.200 821 HB1 ALA 102 1HB ALA 102 4.657 4.701 -1.120 822 HB2 ALA 102 2HB ALA 102 4.343 6.343 -0.561 823 HB3 ALA 102 3HB ALA 102 3.208 5.555 -1.658 824 H TYR 103 H TYR 103 3.307 6.662 2.097 825 HA TYR 103 HA TYR 103 0.878 8.136 1.640 826 HB2 TYR 103 2HB TYR 103 0.066 7.761 4.064 827 HB3 TYR 103 1HB TYR 103 -0.224 6.469 2.910 828 HD1 TYR 103 1HD TYR 103 2.019 7.494 5.722 829 HD2 TYR 103 2HD TYR 103 0.598 4.297 3.288 830 HE1 TYR 103 1HE TYR 103 2.997 5.870 7.278 831 HE2 TYR 103 2HE TYR 103 1.596 2.690 4.811 832 HH TYR 103 HH TYR 103 3.086 2.484 6.515 833 H ASP 104 H ASP 104 0.655 9.864 3.421 834 HA ASP 104 HA ASP 104 3.204 11.191 3.758 835 HB2 ASP 104 2HB ASP 104 1.637 12.856 5.113 836 HB3 ASP 104 1HB ASP 104 1.517 12.750 3.357 837 H GLU 105 H GLU 105 3.566 12.326 5.973 838 HA GLU 105 HA GLU 105 4.386 10.564 7.951 839 HB2 GLU 105 2HB GLU 105 3.693 13.520 8.089 840 HB3 GLU 105 1HB GLU 105 4.451 12.657 9.426 841 HG2 GLU 105 2HG GLU 105 6.463 12.329 8.254 842 HG3 GLU 105 1HG GLU 105 5.730 12.651 6.690 843 H ASP 106 H ASP 106 1.202 11.933 7.428 844 HA ASP 106 HA ASP 106 0.175 11.460 10.078 845 HB2 ASP 106 2HB ASP 106 -0.751 13.259 8.656 846 HB3 ASP 106 1HB ASP 106 -1.307 12.070 7.480 847 H MET 107 H MET 107 -1.043 10.014 6.949 848 HA MET 107 HA MET 107 -0.665 7.324 7.562 849 HB2 MET 107 2HB MET 107 -2.237 8.038 9.534 850 HB3 MET 107 1HB MET 107 -3.520 8.106 8.339 851 HG2 MET 107 2HG MET 107 -3.896 5.946 8.924 852 HG3 MET 107 1HG MET 107 -2.474 5.580 7.954 853 HE1 MET 107 3HE MET 107 -0.015 5.131 9.019 854 HE2 MET 107 1HE MET 107 0.329 5.241 10.748 855 HE3 MET 107 2HE MET 107 -0.021 6.701 9.826 856 H ASN 108 H ASN 108 -1.802 9.664 5.513 857 HA ASN 108 HA ASN 108 -4.107 8.270 4.407 858 HB2 ASN 108 2HB ASN 108 -2.921 10.895 3.455 859 HB3 ASN 108 1HB ASN 108 -4.540 10.294 3.188 860 HD21 ASN 108 1HD2 ASN 108 -2.453 11.934 5.309 861 HD22 ASN 108 2HD2 ASN 108 -3.588 12.307 6.529 862 H LEU 109 H LEU 109 -3.788 6.691 2.847 863 HA LEU 109 HA LEU 109 -1.439 6.192 1.485 864 HB2 LEU 109 2HB LEU 109 -4.284 5.392 0.771 865 HB3 LEU 109 1HB LEU 109 -2.927 4.927 -0.236 866 HG LEU 109 HG LEU 109 -3.333 3.039 1.070 867 HD11 LEU 109 1HD1 LEU 109 -1.104 4.484 2.498 868 HD12 LEU 109 2HD1 LEU 109 -0.979 3.549 0.999 869 HD13 LEU 109 3HD1 LEU 109 -1.392 2.738 2.508 870 HD21 LEU 109 3HD2 LEU 109 -4.893 3.900 2.656 871 HD22 LEU 109 1HD2 LEU 109 -3.617 4.777 3.512 872 HD23 LEU 109 2HD2 LEU 109 -3.632 3.009 3.515 873 H VAL 110 H VAL 110 -0.422 7.332 0.205 874 HA VAL 110 HA VAL 110 -1.663 9.278 -1.584 875 HB VAL 110 HB VAL 110 0.368 9.554 0.246 876 HG11 VAL 110 1HG1 VAL 110 1.897 9.109 -2.331 877 HG12 VAL 110 2HG1 VAL 110 1.956 8.089 -0.892 878 HG13 VAL 110 3HG1 VAL 110 2.554 9.752 -0.818 879 HG21 VAL 110 3HG2 VAL 110 0.910 11.672 -0.752 880 HG22 VAL 110 1HG2 VAL 110 -0.822 11.367 -0.854 881 HG23 VAL 110 2HG2 VAL 110 0.190 11.182 -2.294 882 H SER 111 H SER 111 0.055 6.252 -1.504 883 HA SER 111 HA SER 111 -0.345 5.815 -4.338 884 HB2 SER 111 2HB SER 111 2.482 5.722 -3.183 885 HB3 SER 111 1HB SER 111 2.030 5.220 -4.813 886 HG SER 111 HG SER 111 1.164 7.541 -4.871 887 H PHE 112 H PHE 112 -1.790 4.160 -3.403 888 HA PHE 112 HA PHE 112 -0.469 1.716 -2.489 889 HB2 PHE 112 2HB PHE 112 -2.745 1.897 -1.716 890 HB3 PHE 112 1HB PHE 112 -3.339 2.318 -3.308 891 HD1 PHE 112 2HD PHE 112 -2.277 -0.485 -1.109 892 HD2 PHE 112 1HD PHE 112 -3.738 0.523 -5.026 893 HE1 PHE 112 2HE PHE 112 -2.870 -2.835 -1.521 894 HE2 PHE 112 1HE PHE 112 -4.314 -1.841 -5.406 895 HZ PHE 112 HZ PHE 112 -3.882 -3.519 -3.659 896 H THR 113 H THR 113 0.776 0.686 -3.918 897 HA THR 113 HA THR 113 -0.267 0.039 -6.595 898 HB THR 113 HB THR 113 2.103 0.378 -7.569 899 HG1 THR 113 1HG THR 113 2.381 1.609 -5.058 900 HG21 THR 113 3HG2 THR 113 1.826 2.760 -8.041 901 HG22 THR 113 1HG2 THR 113 0.682 2.915 -6.707 902 HG23 THR 113 2HG2 THR 113 0.263 1.941 -8.120 903 H MET 114 H MET 114 1.155 -1.666 -7.605 904 HA MET 114 HA MET 114 2.837 -3.225 -5.888 905 HB2 MET 114 2HB MET 114 1.544 -5.339 -6.298 906 HB3 MET 114 1HB MET 114 0.794 -4.195 -5.202 907 HG2 MET 114 2HG MET 114 -1.006 -4.780 -6.431 908 HG3 MET 114 1HG MET 114 -0.474 -3.437 -7.417 909 HE1 MET 114 3HE MET 114 -1.816 -6.102 -10.023 910 HE2 MET 114 1HE MET 114 -1.917 -4.414 -9.525 911 HE3 MET 114 2HE MET 114 -2.467 -5.689 -8.434 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 14.669 18.075 -3.124 2 H2 GLY 1 2HT GLY 1 13.839 18.778 -1.831 3 H3 GLY 1 3HT GLY 1 12.996 17.879 -2.988 4 HA2 GLY 1 1HA GLY 1 15.020 16.812 -1.104 5 HA3 GLY 1 2HA GLY 1 13.277 16.616 -0.953 6 H GLU 2 H GLU 2 15.465 14.603 -1.300 7 HA GLU 2 HA GLU 2 15.234 13.541 -3.979 8 HB2 GLU 2 2HB GLU 2 16.664 11.741 -3.184 9 HB3 GLU 2 1HB GLU 2 17.283 13.257 -2.598 10 HG2 GLU 2 2HG GLU 2 16.407 12.845 -0.418 11 HG3 GLU 2 1HG GLU 2 15.643 11.388 -0.980 12 H ILE 3 H ILE 3 14.688 11.137 -4.181 13 HA ILE 3 HA ILE 3 12.338 10.363 -2.541 14 HB ILE 3 HB ILE 3 12.988 9.415 -5.390 15 HG12 ILE 3 2HG1 ILE 3 12.483 11.872 -5.388 16 HG13 ILE 3 1HG1 ILE 3 11.266 10.946 -6.236 17 HG21 ILE 3 1HG2 ILE 3 11.603 7.832 -4.121 18 HG22 ILE 3 2HG2 ILE 3 10.647 8.584 -5.400 19 HG23 ILE 3 3HG2 ILE 3 10.453 9.112 -3.724 20 HD11 ILE 3 3HD1 ILE 3 11.012 12.091 -3.460 21 HD12 ILE 3 1HD1 ILE 3 9.770 11.157 -4.302 22 HD13 ILE 3 2HD1 ILE 3 10.281 12.719 -4.935 23 H LEU 4 H LEU 4 12.773 8.794 -1.227 24 HA LEU 4 HA LEU 4 15.394 7.631 -1.094 25 HB2 LEU 4 2HB LEU 4 12.986 7.420 0.745 26 HB3 LEU 4 1HB LEU 4 14.610 6.907 1.136 27 HG LEU 4 HG LEU 4 13.866 8.984 2.230 28 HD11 LEU 4 1HD1 LEU 4 16.215 8.516 2.072 29 HD12 LEU 4 2HD1 LEU 4 15.916 10.248 1.984 30 HD13 LEU 4 3HD1 LEU 4 16.292 9.344 0.514 31 HD21 LEU 4 3HD2 LEU 4 12.550 10.042 0.516 32 HD22 LEU 4 1HD2 LEU 4 14.019 10.388 -0.400 33 HD23 LEU 4 2HD2 LEU 4 13.762 11.134 1.184 34 H LYS 5 H LYS 5 15.888 5.459 -1.283 35 HA LYS 5 HA LYS 5 13.864 3.460 -1.928 36 HB2 LYS 5 2HB LYS 5 16.865 3.252 -1.528 37 HB3 LYS 5 1HB LYS 5 15.833 2.041 -2.253 38 HG2 LYS 5 2HG LYS 5 15.496 3.313 -4.219 39 HG3 LYS 5 1HG LYS 5 16.054 4.798 -3.453 40 HD2 LYS 5 2HD LYS 5 17.817 4.181 -4.884 41 HD3 LYS 5 1HD LYS 5 18.350 3.687 -3.278 42 HE2 LYS 5 2HE LYS 5 17.131 1.818 -5.352 43 HE3 LYS 5 1HE LYS 5 18.858 2.010 -5.079 44 HZ1 LYS 5 3HZ LYS 5 16.870 0.938 -3.154 45 HZ2 LYS 5 1HZ LYS 5 18.498 1.225 -2.799 46 HZ3 LYS 5 2HZ LYS 5 18.080 0.074 -3.956 47 H GLU 6 H GLU 6 13.448 4.596 0.628 48 HA GLU 6 HA GLU 6 13.601 2.638 2.612 49 HB2 GLU 6 2HB GLU 6 15.463 3.315 4.021 50 HB3 GLU 6 1HB GLU 6 16.099 2.970 2.414 51 HG2 GLU 6 2HG GLU 6 16.248 5.338 1.901 52 HG3 GLU 6 1HG GLU 6 15.454 5.769 3.426 53 H LEU 7 H LEU 7 13.346 3.742 4.885 54 HA LEU 7 HA LEU 7 11.499 5.952 4.697 55 HB2 LEU 7 2HB LEU 7 12.617 4.471 7.098 56 HB3 LEU 7 1HB LEU 7 11.367 5.713 7.192 57 HG LEU 7 HG LEU 7 11.149 2.997 5.845 58 HD11 LEU 7 1HD1 LEU 7 11.045 2.896 8.266 59 HD12 LEU 7 2HD1 LEU 7 9.503 2.484 7.526 60 HD13 LEU 7 3HD1 LEU 7 9.722 4.070 8.278 61 HD21 LEU 7 3HD2 LEU 7 9.067 5.205 5.975 62 HD22 LEU 7 1HD2 LEU 7 8.792 3.555 5.397 63 HD23 LEU 7 2HD2 LEU 7 9.896 4.613 4.531 64 HA PRO 8 HA PRO 8 14.752 9.087 5.630 65 HB2 PRO 8 2HB PRO 8 13.079 11.237 5.178 66 HB3 PRO 8 1HB PRO 8 13.939 10.387 3.877 67 HG2 PRO 8 2HG PRO 8 11.091 10.097 4.749 68 HG3 PRO 8 1HG PRO 8 11.764 10.138 3.107 69 HD2 PRO 8 2HD PRO 8 11.077 7.806 4.339 70 HD3 PRO 8 1HD PRO 8 12.387 7.906 3.163 71 H GLU 9 H GLU 9 13.777 11.432 6.857 72 HA GLU 9 HA GLU 9 13.767 10.459 9.558 73 HB2 GLU 9 2HB GLU 9 13.821 13.254 8.377 74 HB3 GLU 9 1HB GLU 9 13.972 12.911 10.105 75 HG2 GLU 9 2HG GLU 9 16.036 11.776 9.813 76 HG3 GLU 9 1HG GLU 9 15.834 11.684 8.062 77 H GLY 10 H GLY 10 12.180 10.435 10.984 78 HA2 GLY 10 2HA GLY 10 10.274 11.139 12.111 79 HA3 GLY 10 1HA GLY 10 9.809 12.090 10.711 80 H PHE 11 H PHE 11 10.700 8.709 10.373 81 HA PHE 11 HA PHE 11 7.855 7.854 10.317 82 HB2 PHE 11 2HB PHE 11 9.912 6.931 8.268 83 HB3 PHE 11 1HB PHE 11 8.227 6.503 8.309 84 HD1 PHE 11 2HD PHE 11 6.476 8.279 7.800 85 HD2 PHE 11 1HD PHE 11 10.623 8.926 7.314 86 HE1 PHE 11 2HE PHE 11 5.996 10.265 6.475 87 HE2 PHE 11 1HE PHE 11 10.163 10.945 5.999 88 HZ PHE 11 HZ PHE 11 7.846 11.609 5.583 89 H ASP 12 H ASP 12 7.706 5.419 10.301 90 HA ASP 12 HA ASP 12 9.736 4.123 12.029 91 HB2 ASP 12 2HB ASP 12 7.886 5.160 13.437 92 HB3 ASP 12 1HB ASP 12 6.746 4.122 12.635 93 H LYS 13 H LYS 13 10.005 1.987 11.539 94 HA LYS 13 HA LYS 13 9.061 1.014 9.080 95 HB2 LYS 13 2HB LYS 13 10.578 -0.335 11.338 96 HB3 LYS 13 1HB LYS 13 10.331 -1.023 9.753 97 HG2 LYS 13 2HG LYS 13 11.544 0.924 8.745 98 HG3 LYS 13 1HG LYS 13 11.850 1.526 10.372 99 HD2 LYS 13 2HD LYS 13 13.849 0.421 9.605 100 HD3 LYS 13 1HD LYS 13 13.124 -0.603 10.844 101 HE2 LYS 13 2HE LYS 13 12.229 -2.089 9.130 102 HE3 LYS 13 1HE LYS 13 12.805 -1.010 7.859 103 HZ1 LYS 13 3HZ LYS 13 14.261 -2.908 8.165 104 HZ2 LYS 13 1HZ LYS 13 14.529 -2.475 9.778 105 HZ3 LYS 13 2HZ LYS 13 15.067 -1.468 8.533 106 H GLU 14 H GLU 14 8.043 0.435 12.392 107 HA GLU 14 HA GLU 14 6.362 -1.843 11.710 108 HB2 GLU 14 2HB GLU 14 6.533 -0.310 14.336 109 HB3 GLU 14 1HB GLU 14 5.711 -1.852 14.092 110 HG2 GLU 14 2HG GLU 14 8.688 -1.296 13.965 111 HG3 GLU 14 1HG GLU 14 7.831 -2.278 15.153 112 H THR 15 H THR 15 5.906 1.566 12.521 113 HA THR 15 HA THR 15 3.077 1.641 12.512 114 HB THR 15 HB THR 15 5.071 3.887 11.899 115 HG1 THR 15 1HG THR 15 4.888 2.511 14.074 116 HG21 THR 15 3HG2 THR 15 3.317 5.417 12.729 117 HG22 THR 15 1HG2 THR 15 2.205 4.058 12.935 118 HG23 THR 15 2HG2 THR 15 2.742 4.524 11.321 119 H VAL 16 H VAL 16 5.482 1.776 9.984 120 HA VAL 16 HA VAL 16 3.730 2.478 7.810 121 HB VAL 16 HB VAL 16 6.630 1.630 8.063 122 HG11 VAL 16 1HG1 VAL 16 6.915 1.814 5.600 123 HG12 VAL 16 2HG1 VAL 16 5.162 1.887 5.426 124 HG13 VAL 16 3HG1 VAL 16 5.920 0.435 6.070 125 HG21 VAL 16 3HG2 VAL 16 5.320 4.109 6.871 126 HG22 VAL 16 1HG2 VAL 16 7.058 3.841 7.045 127 HG23 VAL 16 2HG2 VAL 16 6.041 3.996 8.479 128 H ARG 17 H ARG 17 5.486 -0.547 8.663 129 HA ARG 17 HA ARG 17 4.554 -2.208 6.665 130 HB2 ARG 17 2HB ARG 17 6.411 -2.795 8.031 131 HB3 ARG 17 1HB ARG 17 5.432 -2.802 9.495 132 HG2 ARG 17 2HG ARG 17 4.422 -4.841 8.997 133 HG3 ARG 17 1HG ARG 17 4.694 -4.686 7.261 134 HD2 ARG 17 2HD ARG 17 6.087 -6.383 8.201 135 HD3 ARG 17 1HD ARG 17 7.059 -5.083 7.574 136 HE ARG 17 HE ARG 17 6.853 -4.484 10.221 137 HH11 ARG 17 1HH1 ARG 17 7.882 -7.389 8.517 138 HH12 ARG 17 2HH1 ARG 17 8.988 -7.871 9.756 139 HH21 ARG 17 1HH2 ARG 17 8.390 -5.104 11.795 140 HH22 ARG 17 2HH2 ARG 17 9.274 -6.585 11.604 141 H LYS 18 H LYS 18 3.237 -1.967 9.975 142 HA LYS 18 HA LYS 18 1.044 -3.651 9.790 143 HB2 LYS 18 2HB LYS 18 2.099 -2.454 11.815 144 HB3 LYS 18 1HB LYS 18 1.097 -1.073 11.408 145 HG2 LYS 18 2HG LYS 18 -0.049 -3.815 11.993 146 HG3 LYS 18 1HG LYS 18 0.297 -2.649 13.266 147 HD2 LYS 18 2HD LYS 18 -1.688 -2.293 10.978 148 HD3 LYS 18 1HD LYS 18 -2.088 -2.611 12.668 149 HE2 LYS 18 2HE LYS 18 -1.074 -0.426 13.291 150 HE3 LYS 18 1HE LYS 18 -0.728 -0.114 11.588 151 HZ1 LYS 18 3HZ LYS 18 -3.395 -0.409 12.847 152 HZ2 LYS 18 1HZ LYS 18 -3.141 -0.288 11.176 153 HZ3 LYS 18 2HZ LYS 18 -2.719 0.995 12.191 154 H GLN 19 H GLN 19 1.310 -0.226 8.852 155 HA GLN 19 HA GLN 19 -1.519 0.075 8.225 156 HB2 GLN 19 2HB GLN 19 0.385 1.862 9.065 157 HB3 GLN 19 1HB GLN 19 0.441 2.183 7.345 158 HG2 GLN 19 2HG GLN 19 -2.043 2.345 9.074 159 HG3 GLN 19 1HG GLN 19 -1.054 3.719 8.626 160 HE21 GLN 19 1HE2 GLN 19 -3.284 1.316 7.498 161 HE22 GLN 19 2HE2 GLN 19 -3.671 2.051 5.993 162 H ALA 20 H ALA 20 0.591 -1.683 6.630 163 HA ALA 20 HA ALA 20 -0.564 -0.983 3.991 164 HB1 ALA 20 1HB ALA 20 1.486 -2.022 2.995 165 HB2 ALA 20 2HB ALA 20 2.194 -2.060 4.616 166 HB3 ALA 20 3HB ALA 20 1.769 -0.516 3.864 167 H MET 21 H MET 21 0.380 -3.472 6.286 168 HA MET 21 HA MET 21 -0.130 -5.735 4.686 169 HB2 MET 21 2HB MET 21 -0.040 -5.384 7.705 170 HB3 MET 21 1HB MET 21 -0.221 -6.954 6.929 171 HG2 MET 21 2HG MET 21 1.932 -6.391 5.662 172 HG3 MET 21 1HG MET 21 2.150 -5.095 6.831 173 HE1 MET 21 3HE MET 21 1.103 -6.360 9.516 174 HE2 MET 21 1HE MET 21 2.673 -5.552 9.446 175 HE3 MET 21 2HE MET 21 2.532 -7.160 10.160 176 H GLU 22 H GLU 22 -2.217 -3.923 6.897 177 HA GLU 22 HA GLU 22 -4.563 -5.531 6.665 178 HB2 GLU 22 2HB GLU 22 -4.372 -2.522 7.164 179 HB3 GLU 22 1HB GLU 22 -5.732 -3.572 7.580 180 HG2 GLU 22 2HG GLU 22 -4.390 -4.700 9.283 181 HG3 GLU 22 1HG GLU 22 -2.956 -3.782 8.804 182 H ASP 23 H ASP 23 -3.380 -2.651 5.070 183 HA ASP 23 HA ASP 23 -5.530 -1.933 3.463 184 HB2 ASP 23 2HB ASP 23 -2.533 -1.427 3.256 185 HB3 ASP 23 1HB ASP 23 -3.694 -0.603 2.220 186 H ILE 24 H ILE 24 -2.896 -4.137 2.854 187 HA ILE 24 HA ILE 24 -3.193 -4.782 0.168 188 HB ILE 24 HB ILE 24 -2.347 -6.379 2.613 189 HG12 ILE 24 2HG1 ILE 24 -0.715 -5.322 0.265 190 HG13 ILE 24 1HG1 ILE 24 -0.897 -4.497 1.802 191 HG21 ILE 24 1HG2 ILE 24 -1.479 -8.179 1.173 192 HG22 ILE 24 2HG2 ILE 24 -2.228 -7.423 -0.232 193 HG23 ILE 24 3HG2 ILE 24 -3.232 -8.054 1.072 194 HD11 ILE 24 3HD1 ILE 24 0.243 -6.368 2.923 195 HD12 ILE 24 1HD1 ILE 24 1.229 -5.598 1.681 196 HD13 ILE 24 2HD1 ILE 24 0.460 -7.147 1.353 197 H GLU 25 H GLU 25 -4.825 -6.143 3.026 198 HA GLU 25 HA GLU 25 -6.327 -8.062 1.571 199 HB2 GLU 25 2HB GLU 25 -6.472 -7.163 4.454 200 HB3 GLU 25 1HB GLU 25 -7.438 -8.491 3.793 201 HG2 GLU 25 2HG GLU 25 -5.338 -9.677 3.193 202 HG3 GLU 25 1HG GLU 25 -4.407 -8.390 3.974 203 H ILE 26 H ILE 26 -7.013 -4.850 2.679 204 HA ILE 26 HA ILE 26 -9.886 -5.040 2.288 205 HB ILE 26 HB ILE 26 -8.196 -2.518 2.627 206 HG12 ILE 26 2HG1 ILE 26 -9.522 -3.992 4.945 207 HG13 ILE 26 1HG1 ILE 26 -7.905 -4.435 4.422 208 HG21 ILE 26 1HG2 ILE 26 -11.125 -3.050 3.309 209 HG22 ILE 26 2HG2 ILE 26 -10.544 -2.079 1.958 210 HG23 ILE 26 3HG2 ILE 26 -10.258 -1.539 3.610 211 HD11 ILE 26 3HD1 ILE 26 -7.888 -2.931 6.315 212 HD12 ILE 26 1HD1 ILE 26 -8.701 -1.690 5.359 213 HD13 ILE 26 2HD1 ILE 26 -7.083 -2.246 4.908 214 H ALA 27 H ALA 27 -7.080 -4.344 0.361 215 HA ALA 27 HA ALA 27 -8.470 -3.209 -1.923 216 HB1 ALA 27 1HB ALA 27 -6.103 -2.656 -1.494 217 HB2 ALA 27 2HB ALA 27 -6.303 -3.415 -3.076 218 HB3 ALA 27 3HB ALA 27 -5.658 -4.350 -1.721 219 H GLN 28 H GLN 28 -7.191 -6.392 -0.933 220 HA GLN 28 HA GLN 28 -7.941 -7.983 -3.124 221 HB2 GLN 28 2HB GLN 28 -7.891 -8.633 -0.147 222 HB3 GLN 28 1HB GLN 28 -8.165 -9.850 -1.385 223 HG2 GLN 28 2HG GLN 28 -5.944 -9.597 -2.235 224 HG3 GLN 28 1HG GLN 28 -5.646 -8.184 -1.235 225 HE21 GLN 28 1HE2 GLN 28 -7.268 -11.137 -0.117 226 HE22 GLN 28 2HE2 GLN 28 -6.028 -11.608 0.979 227 H SER 29 H SER 29 -9.760 -6.807 -0.345 228 HA SER 29 HA SER 29 -12.177 -8.287 -0.981 229 HB2 SER 29 2HB SER 29 -11.545 -6.329 1.258 230 HB3 SER 29 1HB SER 29 -13.029 -7.272 1.126 231 HG SER 29 HG SER 29 -10.416 -8.361 1.295 232 H LYS 30 H LYS 30 -10.949 -5.719 -2.467 233 HA LYS 30 HA LYS 30 -11.693 -4.070 -3.765 234 HB2 LYS 30 2HB LYS 30 -12.828 -6.305 -4.540 235 HB3 LYS 30 1HB LYS 30 -14.313 -5.568 -3.945 236 HG2 LYS 30 2HG LYS 30 -14.009 -3.696 -5.495 237 HG3 LYS 30 1HG LYS 30 -12.486 -4.398 -6.058 238 HD2 LYS 30 2HD LYS 30 -13.914 -6.473 -6.690 239 HD3 LYS 30 1HD LYS 30 -15.316 -5.410 -6.482 240 HE2 LYS 30 2HE LYS 30 -12.966 -4.842 -8.301 241 HE3 LYS 30 1HE LYS 30 -14.485 -5.573 -8.839 242 HZ1 LYS 30 3HZ LYS 30 -15.659 -3.597 -8.274 243 HZ2 LYS 30 1HZ LYS 30 -14.331 -3.145 -9.218 244 HZ3 LYS 30 2HZ LYS 30 -14.302 -2.906 -7.543 245 H ASP 31 H ASP 31 -11.811 -3.072 -1.341 246 HA ASP 31 HA ASP 31 -14.472 -1.833 -0.944 247 HB2 ASP 31 2HB ASP 31 -12.040 -2.041 0.885 248 HB3 ASP 31 1HB ASP 31 -13.496 -1.131 1.283 249 H TYR 32 H TYR 32 -14.760 0.153 -1.695 250 HA TYR 32 HA TYR 32 -12.426 1.795 -2.436 251 HB2 TYR 32 2HB TYR 32 -15.169 2.768 -3.198 252 HB3 TYR 32 1HB TYR 32 -13.690 2.740 -4.147 253 HD1 TYR 32 2HD TYR 32 -13.049 -0.164 -4.231 254 HD2 TYR 32 1HD TYR 32 -16.821 1.785 -4.566 255 HE1 TYR 32 2HE TYR 32 -13.907 -2.059 -5.500 256 HE2 TYR 32 1HE TYR 32 -17.687 -0.119 -5.840 257 HH TYR 32 HH TYR 32 -16.824 -1.966 -7.239 258 H GLU 33 H GLU 33 -15.655 2.686 -1.409 259 HA GLU 33 HA GLU 33 -14.895 4.879 0.159 260 HB2 GLU 33 2HB GLU 33 -17.619 3.598 -0.236 261 HB3 GLU 33 1HB GLU 33 -17.321 5.205 0.425 262 HG2 GLU 33 2HG GLU 33 -16.449 5.983 -1.712 263 HG3 GLU 33 1HG GLU 33 -16.533 4.355 -2.381 264 H SER 34 H SER 34 -14.340 1.952 1.022 265 HA SER 34 HA SER 34 -15.015 2.313 3.882 266 HB2 SER 34 2HB SER 34 -14.274 -0.278 2.444 267 HB3 SER 34 1HB SER 34 -14.734 -0.114 4.142 268 HG SER 34 HG SER 34 -16.707 0.963 2.969 269 H TRP 35 H TRP 35 -12.596 1.741 1.439 270 HA TRP 35 HA TRP 35 -10.377 1.573 3.362 271 HB2 TRP 35 2HB TRP 35 -10.678 -0.138 1.500 272 HB3 TRP 35 1HB TRP 35 -10.366 1.151 0.347 273 HD1 TRP 35 HD TRP 35 -8.398 0.333 3.614 274 HE1 TRP 35 1HE TRP 35 -5.951 -0.039 2.971 275 HE3 TRP 35 3HE TRP 35 -8.830 0.830 -1.427 276 HZ2 TRP 35 2HZ TRP 35 -4.399 -0.186 0.624 277 HZ3 TRP 35 3HZ TRP 35 -6.811 0.502 -2.815 278 HH2 TRP 35 HH TRP 35 -4.655 0.027 -1.802 279 H LYS 36 H LYS 36 -12.035 3.751 1.451 280 HA LYS 36 HA LYS 36 -10.062 5.495 0.524 281 HB2 LYS 36 2HB LYS 36 -11.943 7.070 0.275 282 HB3 LYS 36 1HB LYS 36 -12.435 5.518 -0.190 283 HG2 LYS 36 2HG LYS 36 -13.748 5.223 1.695 284 HG3 LYS 36 1HG LYS 36 -13.044 6.566 2.547 285 HD2 LYS 36 2HD LYS 36 -14.550 7.041 -0.038 286 HD3 LYS 36 1HD LYS 36 -15.447 6.784 1.455 287 HE2 LYS 36 2HE LYS 36 -13.377 8.945 1.049 288 HE3 LYS 36 1HE LYS 36 -15.118 9.178 0.911 289 HZ1 LYS 36 3HZ LYS 36 -13.644 8.341 3.357 290 HZ2 LYS 36 1HZ LYS 36 -15.327 8.451 3.231 291 HZ3 LYS 36 2HZ LYS 36 -14.377 9.837 3.076 292 H SER 37 H SER 37 -11.631 5.049 3.644 293 HA SER 37 HA SER 37 -10.849 7.357 5.035 294 HB2 SER 37 2HB SER 37 -11.297 4.545 6.129 295 HB3 SER 37 1HB SER 37 -11.423 6.057 7.038 296 HG SER 37 HG SER 37 -13.329 6.408 6.196 297 H ARG 38 H ARG 38 -9.046 4.467 4.133 298 HA ARG 38 HA ARG 38 -6.800 4.948 5.894 299 HB2 ARG 38 2HB ARG 38 -7.200 3.109 3.504 300 HB3 ARG 38 1HB ARG 38 -5.652 3.228 4.351 301 HG2 ARG 38 2HG ARG 38 -8.284 2.401 5.660 302 HG3 ARG 38 1HG ARG 38 -7.057 1.278 5.065 303 HD2 ARG 38 2HD ARG 38 -5.419 2.184 6.647 304 HD3 ARG 38 1HD ARG 38 -6.592 3.368 7.223 305 HE ARG 38 HE ARG 38 -7.859 1.588 8.210 306 HH11 ARG 38 1HH1 ARG 38 -4.692 0.575 7.068 307 HH12 ARG 38 2HH1 ARG 38 -4.633 -0.813 8.101 308 HH21 ARG 38 1HH2 ARG 38 -7.754 -0.242 9.566 309 HH22 ARG 38 2HH2 ARG 38 -6.366 -1.278 9.513 310 H PHE 39 H PHE 39 -7.635 5.563 2.498 311 HA PHE 39 HA PHE 39 -5.274 6.997 1.805 312 HB2 PHE 39 2HB PHE 39 -8.086 7.009 0.651 313 HB3 PHE 39 1HB PHE 39 -6.777 7.964 -0.041 314 HD1 PHE 39 1HD PHE 39 -4.524 6.488 -0.330 315 HD2 PHE 39 2HD PHE 39 -8.515 4.993 -0.488 316 HE1 PHE 39 1HE PHE 39 -3.725 4.595 -1.645 317 HE2 PHE 39 2HE PHE 39 -7.723 3.105 -1.856 318 HZ PHE 39 HZ PHE 39 -5.336 2.900 -2.433 319 H THR 40 H THR 40 -5.186 9.324 1.319 320 HA THR 40 HA THR 40 -6.207 10.983 3.459 321 HB THR 40 HB THR 40 -4.809 12.678 2.726 322 HG1 THR 40 1HG THR 40 -4.558 13.302 0.596 323 HG21 THR 40 3HG2 THR 40 -3.344 10.676 2.757 324 HG22 THR 40 1HG2 THR 40 -2.789 11.903 1.617 325 HG23 THR 40 2HG2 THR 40 -3.633 10.467 1.024 326 H LYS 41 H LYS 41 -7.458 12.938 3.006 327 HA LYS 41 HA LYS 41 -9.940 12.358 1.832 328 HB2 LYS 41 2HB LYS 41 -8.675 14.749 3.083 329 HB3 LYS 41 1HB LYS 41 -10.151 15.012 2.174 330 HG2 LYS 41 2HG LYS 41 -10.752 14.707 4.473 331 HG3 LYS 41 1HG LYS 41 -11.274 13.270 3.611 332 HD2 LYS 41 2HD LYS 41 -9.321 12.029 4.477 333 HD3 LYS 41 1HD LYS 41 -8.726 13.489 5.277 334 HE2 LYS 41 2HE LYS 41 -10.791 13.519 6.680 335 HE3 LYS 41 1HE LYS 41 -11.303 12.013 5.914 336 HZ1 LYS 41 3HZ LYS 41 -8.762 12.315 7.415 337 HZ2 LYS 41 1HZ LYS 41 -9.458 10.883 6.852 338 HZ3 LYS 41 2HZ LYS 41 -10.198 11.746 8.099 339 H ASP 42 H ASP 42 -7.095 13.729 0.448 340 HA ASP 42 HA ASP 42 -8.167 14.938 -1.881 341 HB2 ASP 42 2HB ASP 42 -5.817 15.189 -1.005 342 HB3 ASP 42 1HB ASP 42 -5.471 13.559 -1.525 343 H LEU 43 H LEU 43 -6.895 11.668 -1.197 344 HA LEU 43 HA LEU 43 -7.393 10.668 -3.839 345 HB2 LEU 43 2HB LEU 43 -6.707 9.180 -1.281 346 HB3 LEU 43 1HB LEU 43 -6.856 8.407 -2.840 347 HG LEU 43 HG LEU 43 -5.014 10.100 -3.636 348 HD11 LEU 43 1HD1 LEU 43 -3.496 10.936 -1.969 349 HD12 LEU 43 2HD1 LEU 43 -4.552 10.326 -0.687 350 HD13 LEU 43 3HD1 LEU 43 -5.127 11.592 -1.781 351 HD21 LEU 43 3HD2 LEU 43 -4.210 7.912 -1.697 352 HD22 LEU 43 1HD2 LEU 43 -3.183 8.634 -2.938 353 HD23 LEU 43 2HD2 LEU 43 -4.587 7.679 -3.405 354 H GLN 44 H GLN 44 -9.167 10.775 -0.836 355 HA GLN 44 HA GLN 44 -11.206 8.914 -1.264 356 HB2 GLN 44 2HB GLN 44 -11.182 11.548 0.226 357 HB3 GLN 44 1HB GLN 44 -12.542 10.417 0.282 358 HG2 GLN 44 2HG GLN 44 -10.963 8.654 1.068 359 HG3 GLN 44 1HG GLN 44 -9.700 9.872 1.132 360 HE21 GLN 44 1HE2 GLN 44 -9.554 9.193 3.294 361 HE22 GLN 44 2HE2 GLN 44 -10.574 9.872 4.482 362 H SER 45 H SER 45 -10.768 12.165 -2.431 363 HA SER 45 HA SER 45 -13.381 12.483 -3.606 364 HB2 SER 45 2HB SER 45 -10.857 14.121 -3.876 365 HB3 SER 45 1HB SER 45 -12.460 14.639 -4.395 366 HG SER 45 HG SER 45 -11.799 13.931 -1.724 367 H SER 46 H SER 46 -10.760 10.630 -4.501 368 HA SER 46 HA SER 46 -11.362 10.798 -7.395 369 HB2 SER 46 2HB SER 46 -9.370 12.297 -6.803 370 HB3 SER 46 1HB SER 46 -8.515 10.835 -6.325 371 HG SER 46 HG SER 46 -8.918 11.855 -8.791 372 H LEU 47 H LEU 47 -11.903 8.902 -5.167 373 HA LEU 47 HA LEU 47 -10.088 6.770 -5.105 374 HB2 LEU 47 2HB LEU 47 -12.360 7.536 -3.691 375 HB3 LEU 47 1HB LEU 47 -12.888 6.065 -4.466 376 HG LEU 47 HG LEU 47 -12.067 5.636 -2.254 377 HD11 LEU 47 1HD1 LEU 47 -10.448 3.842 -2.666 378 HD12 LEU 47 2HD1 LEU 47 -10.147 4.491 -4.280 379 HD13 LEU 47 3HD1 LEU 47 -11.738 3.836 -3.869 380 HD21 LEU 47 3HD2 LEU 47 -9.770 5.912 -1.550 381 HD22 LEU 47 1HD2 LEU 47 -10.511 7.454 -1.962 382 HD23 LEU 47 2HD2 LEU 47 -9.382 6.696 -3.089 383 H THR 48 H THR 48 -9.562 5.685 -6.821 384 HA THR 48 HA THR 48 -11.548 4.804 -8.829 385 HB THR 48 HB THR 48 -9.420 4.301 -10.222 386 HG1 THR 48 1HG THR 48 -7.873 4.472 -8.549 387 HG21 THR 48 3HG2 THR 48 -9.167 6.613 -11.004 388 HG22 THR 48 1HG2 THR 48 -9.985 7.203 -9.552 389 HG23 THR 48 2HG2 THR 48 -10.866 6.221 -10.725 390 H GLU 49 H GLU 49 -12.238 2.779 -8.412 391 HA GLU 49 HA GLU 49 -10.792 0.928 -6.833 392 HB2 GLU 49 2HB GLU 49 -12.584 -0.423 -6.944 393 HB3 GLU 49 1HB GLU 49 -13.388 1.043 -7.417 394 HG2 GLU 49 2HG GLU 49 -12.355 -0.977 -9.430 395 HG3 GLU 49 1HG GLU 49 -13.922 -1.120 -8.668 396 H GLU 50 H GLU 50 -10.793 1.699 -10.143 397 HA GLU 50 HA GLU 50 -9.849 -0.470 -11.505 398 HB2 GLU 50 2HB GLU 50 -10.278 2.170 -12.119 399 HB3 GLU 50 1HB GLU 50 -8.524 2.158 -12.155 400 HG2 GLU 50 2HG GLU 50 -10.385 0.444 -13.833 401 HG3 GLU 50 1HG GLU 50 -9.464 1.840 -14.386 402 H SER 51 H SER 51 -8.054 1.673 -9.363 403 HA SER 51 HA SER 51 -5.410 0.842 -9.776 404 HB2 SER 51 2HB SER 51 -6.733 1.851 -7.222 405 HB3 SER 51 1HB SER 51 -4.990 1.848 -7.553 406 HG SER 51 HG SER 51 -5.917 3.052 -9.589 407 H TYR 52 H TYR 52 -7.960 -0.909 -8.305 408 HA TYR 52 HA TYR 52 -6.220 -3.194 -7.788 409 HB2 TYR 52 2HB TYR 52 -7.633 -3.698 -5.668 410 HB3 TYR 52 1HB TYR 52 -6.385 -2.466 -5.558 411 HD1 TYR 52 2HD TYR 52 -10.134 -2.930 -5.853 412 HD2 TYR 52 1HD TYR 52 -6.918 -0.216 -4.996 413 HE1 TYR 52 2HE TYR 52 -11.714 -1.309 -4.951 414 HE2 TYR 52 1HE TYR 52 -8.530 1.405 -4.138 415 HH TYR 52 HH TYR 52 -10.896 1.922 -4.416 416 H ASP 53 H ASP 53 -8.570 -2.213 -9.666 417 HA ASP 53 HA ASP 53 -10.430 -4.476 -9.440 418 HB2 ASP 53 2HB ASP 53 -11.175 -2.110 -10.093 419 HB3 ASP 53 1HB ASP 53 -10.337 -2.330 -11.621 420 H SER 54 H SER 54 -8.224 -3.072 -11.891 421 HA SER 54 HA SER 54 -8.007 -5.286 -13.604 422 HB2 SER 54 2HB SER 54 -7.132 -3.032 -14.173 423 HB3 SER 54 1HB SER 54 -5.892 -3.194 -12.937 424 HG SER 54 HG SER 54 -5.969 -4.193 -15.479 425 H TYR 55 H TYR 55 -6.322 -4.473 -10.599 426 HA TYR 55 HA TYR 55 -4.308 -6.356 -10.461 427 HB2 TYR 55 2HB TYR 55 -4.092 -4.928 -8.645 428 HB3 TYR 55 1HB TYR 55 -5.824 -4.715 -8.488 429 HD1 TYR 55 1HD TYR 55 -3.095 -7.153 -7.728 430 HD2 TYR 55 2HD TYR 55 -6.988 -5.772 -6.686 431 HE1 TYR 55 1HE TYR 55 -3.135 -8.708 -5.847 432 HE2 TYR 55 2HE TYR 55 -7.029 -7.317 -4.788 433 HH TYR 55 HH TYR 55 -5.966 -9.391 -4.097 434 H LEU 56 H LEU 56 -7.758 -6.753 -9.767 435 HA LEU 56 HA LEU 56 -7.636 -9.166 -8.383 436 HB2 LEU 56 2HB LEU 56 -9.858 -8.015 -10.088 437 HB3 LEU 56 1HB LEU 56 -10.059 -9.458 -9.100 438 HG LEU 56 HG LEU 56 -9.409 -6.678 -8.040 439 HD11 LEU 56 1HD1 LEU 56 -11.684 -6.815 -8.880 440 HD12 LEU 56 2HD1 LEU 56 -11.660 -6.687 -7.122 441 HD13 LEU 56 3HD1 LEU 56 -11.983 -8.246 -7.888 442 HD21 LEU 56 3HD2 LEU 56 -8.426 -8.408 -6.610 443 HD22 LEU 56 1HD2 LEU 56 -9.985 -9.229 -6.499 444 HD23 LEU 56 2HD2 LEU 56 -9.777 -7.619 -5.799 445 H LYS 57 H LYS 57 -7.515 -8.564 -11.832 446 HA LYS 57 HA LYS 57 -7.984 -11.217 -12.735 447 HB2 LYS 57 2HB LYS 57 -6.474 -8.980 -14.090 448 HB3 LYS 57 1HB LYS 57 -7.123 -10.415 -14.868 449 HG2 LYS 57 2HG LYS 57 -8.810 -8.276 -13.516 450 HG3 LYS 57 1HG LYS 57 -8.477 -8.363 -15.232 451 HD2 LYS 57 2HD LYS 57 -10.611 -9.298 -15.123 452 HD3 LYS 57 1HD LYS 57 -9.598 -10.738 -15.114 453 HE2 LYS 57 2HE LYS 57 -9.925 -11.002 -12.709 454 HE3 LYS 57 1HE LYS 57 -10.736 -9.439 -12.611 455 HZ1 LYS 57 3HZ LYS 57 -12.309 -11.245 -12.566 456 HZ2 LYS 57 1HZ LYS 57 -11.745 -11.830 -14.047 457 HZ3 LYS 57 2HZ LYS 57 -12.522 -10.328 -13.973 458 H ILE 58 H ILE 58 -5.109 -9.432 -11.787 459 HA ILE 58 HA ILE 58 -3.161 -11.421 -12.431 460 HB ILE 58 HB ILE 58 -3.052 -9.142 -10.387 461 HG12 ILE 58 2HG1 ILE 58 -1.363 -8.169 -12.074 462 HG13 ILE 58 1HG1 ILE 58 -1.940 -9.375 -13.214 463 HG21 ILE 58 1HG2 ILE 58 -0.591 -9.481 -10.262 464 HG22 ILE 58 2HG2 ILE 58 -0.755 -10.941 -11.242 465 HG23 ILE 58 3HG2 ILE 58 -1.494 -10.861 -9.645 466 HD11 ILE 58 3HD1 ILE 58 -3.538 -7.159 -11.953 467 HD12 ILE 58 1HD1 ILE 58 -4.189 -8.385 -13.042 468 HD13 ILE 58 2HD1 ILE 58 -2.969 -7.249 -13.621 469 H LEU 59 H LEU 59 -5.022 -10.565 -9.551 470 HA LEU 59 HA LEU 59 -4.003 -12.260 -7.595 471 HB2 LEU 59 2HB LEU 59 -5.630 -10.423 -7.256 472 HB3 LEU 59 1HB LEU 59 -6.870 -11.394 -7.929 473 HG LEU 59 HG LEU 59 -6.647 -13.014 -6.038 474 HD11 LEU 59 1HD1 LEU 59 -4.303 -12.625 -5.455 475 HD12 LEU 59 2HD1 LEU 59 -5.346 -12.437 -4.048 476 HD13 LEU 59 3HD1 LEU 59 -4.705 -11.011 -4.863 477 HD21 LEU 59 3HD2 LEU 59 -8.323 -11.218 -5.949 478 HD22 LEU 59 1HD2 LEU 59 -7.158 -10.166 -5.137 479 HD23 LEU 59 2HD2 LEU 59 -7.730 -11.639 -4.344 480 H GLU 60 H GLU 60 -6.454 -12.823 -10.002 481 HA GLU 60 HA GLU 60 -7.564 -15.184 -9.241 482 HB2 GLU 60 2HB GLU 60 -6.952 -14.074 -11.985 483 HB3 GLU 60 1HB GLU 60 -7.922 -15.505 -11.746 484 HG2 GLU 60 2HG GLU 60 -8.577 -12.765 -10.701 485 HG3 GLU 60 1HG GLU 60 -9.263 -13.531 -12.104 486 H LYS 61 H LYS 61 -4.502 -14.562 -10.684 487 HA LYS 61 HA LYS 61 -3.841 -17.355 -11.254 488 HB2 LYS 61 2HB LYS 61 -2.291 -14.812 -11.809 489 HB3 LYS 61 1HB LYS 61 -1.982 -16.400 -12.475 490 HG2 LYS 61 2HG LYS 61 -4.075 -16.325 -13.740 491 HG3 LYS 61 1HG LYS 61 -4.488 -14.777 -12.999 492 HD2 LYS 61 2HD LYS 61 -3.651 -14.410 -15.256 493 HD3 LYS 61 1HD LYS 61 -2.519 -13.737 -14.082 494 HE2 LYS 61 2HE LYS 61 -1.054 -15.702 -14.359 495 HE3 LYS 61 1HE LYS 61 -2.208 -16.411 -15.494 496 HZ1 LYS 61 3HZ LYS 61 -0.767 -13.849 -15.887 497 HZ2 LYS 61 1HZ LYS 61 -1.838 -14.566 -16.977 498 HZ3 LYS 61 2HZ LYS 61 -0.375 -15.323 -16.620 499 H GLN 62 H GLN 62 -3.299 -14.784 -9.003 500 HA GLN 62 HA GLN 62 -0.807 -15.647 -7.884 501 HB2 GLN 62 2HB GLN 62 -2.914 -13.763 -6.782 502 HB3 GLN 62 1HB GLN 62 -1.331 -13.976 -6.108 503 HG2 GLN 62 2HG GLN 62 -2.050 -12.746 -8.720 504 HG3 GLN 62 1HG GLN 62 -1.394 -11.935 -7.319 505 HE21 GLN 62 1HE2 GLN 62 -0.753 -13.961 -10.026 506 HE22 GLN 62 2HE2 GLN 62 0.948 -13.862 -9.964 507 H GLY 63 H GLY 63 -4.182 -16.361 -7.238 508 HA2 GLY 63 2HA GLY 63 -5.053 -17.899 -5.680 509 HA3 GLY 63 1HA GLY 63 -3.476 -18.017 -4.936 510 H GLU 64 H GLU 64 -5.114 -17.847 -3.035 511 HA GLU 64 HA GLU 64 -5.727 -15.033 -2.349 512 HB2 GLU 64 2HB GLU 64 -6.690 -17.679 -1.246 513 HB3 GLU 64 1HB GLU 64 -6.965 -16.172 -0.371 514 HG2 GLU 64 2HG GLU 64 -8.318 -15.285 -2.131 515 HG3 GLU 64 1HG GLU 64 -7.845 -16.575 -3.228 516 H PHE 65 H PHE 65 -5.436 -14.419 -0.094 517 HA PHE 65 HA PHE 65 -2.661 -14.340 0.414 518 HB2 PHE 65 2HB PHE 65 -3.815 -12.363 0.977 519 HB3 PHE 65 1HB PHE 65 -5.055 -13.216 1.867 520 HD1 PHE 65 1HD PHE 65 -1.396 -12.381 2.000 521 HD2 PHE 65 2HD PHE 65 -4.935 -13.352 4.228 522 HE1 PHE 65 1HE PHE 65 -0.199 -12.046 4.103 523 HE2 PHE 65 2HE PHE 65 -3.712 -12.987 6.325 524 HZ PHE 65 HZ PHE 65 -1.340 -12.346 6.264 525 H LYS 66 H LYS 66 -1.386 -15.486 1.618 526 HA LYS 66 HA LYS 66 -2.419 -17.403 3.637 527 HB2 LYS 66 2HB LYS 66 0.149 -17.600 1.985 528 HB3 LYS 66 1HB LYS 66 -0.502 -18.832 3.066 529 HG2 LYS 66 2HG LYS 66 -1.847 -17.881 0.509 530 HG3 LYS 66 1HG LYS 66 -0.830 -19.320 0.637 531 HD2 LYS 66 2HD LYS 66 -3.408 -18.872 2.198 532 HD3 LYS 66 1HD LYS 66 -3.281 -19.810 0.709 533 HE2 LYS 66 2HE LYS 66 -1.603 -21.298 1.903 534 HE3 LYS 66 1HE LYS 66 -2.015 -20.445 3.395 535 HZ1 LYS 66 3HZ LYS 66 -3.256 -22.487 3.153 536 HZ2 LYS 66 1HZ LYS 66 -3.898 -21.964 1.679 537 HZ3 LYS 66 2HZ LYS 66 -4.298 -21.160 3.113 538 H GLU 67 H GLU 67 0.160 -15.178 2.677 539 HA GLU 67 HA GLU 67 1.240 -14.876 5.362 540 HB2 GLU 67 2HB GLU 67 2.168 -17.030 4.758 541 HB3 GLU 67 1HB GLU 67 2.463 -16.528 3.104 542 HG2 GLU 67 2HG GLU 67 4.561 -16.615 4.007 543 HG3 GLU 67 1HG GLU 67 4.202 -14.916 4.066 544 H PHE 68 H PHE 68 2.994 -13.280 5.359 545 HA PHE 68 HA PHE 68 3.227 -11.598 2.935 546 HB2 PHE 68 2HB PHE 68 3.550 -10.892 5.882 547 HB3 PHE 68 1HB PHE 68 4.047 -9.814 4.582 548 HD1 PHE 68 2HD PHE 68 1.915 -10.046 2.628 549 HD2 PHE 68 1HD PHE 68 1.620 -9.889 6.880 550 HE1 PHE 68 2HE PHE 68 -0.361 -9.183 2.435 551 HE2 PHE 68 1HE PHE 68 -0.664 -9.022 6.674 552 HZ PHE 68 HZ PHE 68 -1.655 -8.656 4.456 553 H GLY 69 H GLY 69 5.437 -10.435 2.984 554 HA2 GLY 69 2HA GLY 69 7.564 -12.489 3.196 555 HA3 GLY 69 1HA GLY 69 7.229 -11.643 1.710 556 H LYS 70 H LYS 70 9.309 -10.906 1.669 557 HA LYS 70 HA LYS 70 10.686 -9.303 3.464 558 HB2 LYS 70 2HB LYS 70 10.561 -9.403 0.435 559 HB3 LYS 70 1HB LYS 70 11.673 -8.309 1.276 560 HG2 LYS 70 2HG LYS 70 12.656 -10.338 2.423 561 HG3 LYS 70 1HG LYS 70 11.662 -11.343 1.354 562 HD2 LYS 70 2HD LYS 70 12.772 -10.341 -0.621 563 HD3 LYS 70 1HD LYS 70 13.729 -9.297 0.439 564 HE2 LYS 70 2HE LYS 70 14.837 -11.271 1.398 565 HE3 LYS 70 1HE LYS 70 13.849 -12.331 0.392 566 HZ1 LYS 70 3HZ LYS 70 15.792 -10.328 -0.614 567 HZ2 LYS 70 1HZ LYS 70 14.868 -11.380 -1.559 568 HZ3 LYS 70 2HZ LYS 70 16.055 -11.996 -0.529 569 H CYS 71 H CYS 71 10.960 -7.030 3.584 570 HA CYS 71 HA CYS 71 8.881 -5.339 2.375 571 HB2 CYS 71 2HB CYS 71 9.714 -4.932 5.224 572 HB3 CYS 71 1HB CYS 71 8.368 -4.224 4.383 573 HG CYS 71 HG CYS 71 7.626 -7.269 4.184 574 H THR 72 H THR 72 10.344 -4.502 0.986 575 HA THR 72 HA THR 72 12.507 -2.783 1.681 576 HB THR 72 HB THR 72 10.451 -2.715 -0.569 577 HG1 THR 72 1HG THR 72 12.894 -4.008 -0.229 578 HG21 THR 72 3HG2 THR 72 12.062 -1.269 -1.825 579 HG22 THR 72 1HG2 THR 72 12.985 -1.074 -0.331 580 HG23 THR 72 2HG2 THR 72 11.327 -0.468 -0.435 581 H TYR 73 H TYR 73 12.291 -0.515 2.286 582 HA TYR 73 HA TYR 73 9.562 0.497 2.679 583 HB2 TYR 73 2HB TYR 73 11.978 1.128 4.434 584 HB3 TYR 73 1HB TYR 73 10.435 1.919 4.496 585 HD1 TYR 73 1HD TYR 73 12.175 -1.251 5.246 586 HD2 TYR 73 2HD TYR 73 8.469 0.845 5.469 587 HE1 TYR 73 1HE TYR 73 11.303 -2.958 6.771 588 HE2 TYR 73 2HE TYR 73 7.597 -0.870 7.004 589 HH TYR 73 HH TYR 73 7.994 -3.187 7.593 590 H LEU 74 H LEU 74 9.508 2.921 2.530 591 HA LEU 74 HA LEU 74 11.203 3.812 0.271 592 HB2 LEU 74 2HB LEU 74 8.161 3.906 0.199 593 HB3 LEU 74 1HB LEU 74 9.273 4.360 -1.088 594 HG LEU 74 HG LEU 74 8.939 1.526 -0.038 595 HD11 LEU 74 1HD1 LEU 74 6.896 2.203 -1.075 596 HD12 LEU 74 2HD1 LEU 74 7.756 1.062 -2.104 597 HD13 LEU 74 3HD1 LEU 74 7.761 2.785 -2.499 598 HD21 LEU 74 3HD2 LEU 74 10.388 2.577 -2.490 599 HD22 LEU 74 1HD2 LEU 74 10.148 0.873 -2.078 600 HD23 LEU 74 2HD2 LEU 74 11.125 1.901 -1.034 601 H GLY 75 H GLY 75 10.841 6.054 -0.257 602 HA2 GLY 75 2HA GLY 75 9.609 7.751 1.773 603 HA3 GLY 75 1HA GLY 75 11.363 7.831 1.616 604 H GLN 76 H GLN 76 9.428 9.881 1.090 605 HA GLN 76 HA GLN 76 10.198 10.708 -1.558 606 HB2 GLN 76 2HB GLN 76 7.481 11.022 -1.945 607 HB3 GLN 76 1HB GLN 76 8.400 9.671 -2.594 608 HG2 GLN 76 2HG GLN 76 7.652 8.229 -0.810 609 HG3 GLN 76 1HG GLN 76 6.944 9.578 0.065 610 HE21 GLN 76 1HE2 GLN 76 4.904 8.707 0.155 611 HE22 GLN 76 2HE2 GLN 76 3.896 8.515 -1.238 612 H ILE 77 H ILE 77 10.720 12.793 -1.142 613 HA ILE 77 HA ILE 77 8.880 14.472 0.470 614 HB ILE 77 HB ILE 77 11.518 15.327 -0.829 615 HG12 ILE 77 2HG1 ILE 77 12.200 15.506 1.726 616 HG13 ILE 77 1HG1 ILE 77 10.885 14.377 1.996 617 HG21 ILE 77 1HG2 ILE 77 9.917 17.194 -0.550 618 HG22 ILE 77 2HG2 ILE 77 11.297 17.378 0.534 619 HG23 ILE 77 3HG2 ILE 77 9.752 16.800 1.166 620 HD11 ILE 77 3HD1 ILE 77 12.935 13.189 1.886 621 HD12 ILE 77 1HD1 ILE 77 13.356 13.942 0.348 622 HD13 ILE 77 2HD1 ILE 77 12.008 12.806 0.432 623 H LYS 78 H LYS 78 7.365 15.559 -0.493 624 HA LYS 78 HA LYS 78 6.758 15.199 -3.259 625 HB2 LYS 78 2HB LYS 78 5.190 15.293 -1.206 626 HB3 LYS 78 1HB LYS 78 5.351 17.038 -1.292 627 HG2 LYS 78 2HG LYS 78 4.305 17.013 -3.531 628 HG3 LYS 78 1HG LYS 78 4.196 15.252 -3.450 629 HD2 LYS 78 2HD LYS 78 2.031 16.096 -2.847 630 HD3 LYS 78 1HD LYS 78 2.779 15.496 -1.368 631 HE2 LYS 78 2HE LYS 78 1.831 17.546 -0.704 632 HE3 LYS 78 1HE LYS 78 3.521 17.993 -1.007 633 HZ1 LYS 78 3HZ LYS 78 2.859 18.773 -3.204 634 HZ2 LYS 78 1HZ LYS 78 2.000 19.571 -1.988 635 HZ3 LYS 78 2HZ LYS 78 1.247 18.361 -2.895 636 H ASP 79 H ASP 79 6.720 18.224 -1.439 637 HA ASP 79 HA ASP 79 8.290 19.620 -3.531 638 HB2 ASP 79 2HB ASP 79 5.950 20.723 -1.904 639 HB3 ASP 79 1HB ASP 79 6.918 21.634 -3.040 640 H ASN 80 H ASN 80 7.068 19.749 -0.206 641 HA ASN 80 HA ASN 80 9.769 20.116 0.843 642 HB2 ASN 80 2HB ASN 80 8.708 22.392 0.780 643 HB3 ASN 80 1HB ASN 80 7.354 21.771 1.708 644 HD21 ASN 80 1HD2 ASN 80 10.743 21.027 2.247 645 HD22 ASN 80 2HD2 ASN 80 10.787 21.740 3.794 646 H LYS 81 H LYS 81 6.678 18.701 0.852 647 HA LYS 81 HA LYS 81 6.553 18.021 3.680 648 HB2 LYS 81 2HB LYS 81 4.638 18.299 1.594 649 HB3 LYS 81 1HB LYS 81 4.617 16.605 1.984 650 HG2 LYS 81 2HG LYS 81 4.259 18.800 4.029 651 HG3 LYS 81 1HG LYS 81 2.931 17.978 3.203 652 HD2 LYS 81 2HD LYS 81 3.622 15.824 4.176 653 HD3 LYS 81 1HD LYS 81 5.032 16.578 4.923 654 HE2 LYS 81 2HE LYS 81 3.520 17.954 6.328 655 HE3 LYS 81 1HE LYS 81 2.125 17.153 5.593 656 HZ1 LYS 81 3HZ LYS 81 2.801 15.090 6.504 657 HZ2 LYS 81 1HZ LYS 81 2.831 16.221 7.762 658 HZ3 LYS 81 2HZ LYS 81 4.276 15.718 7.036 659 H LYS 82 H LYS 82 6.741 15.898 4.501 660 HA LYS 82 HA LYS 82 8.392 14.113 2.812 661 HB2 LYS 82 2HB LYS 82 8.338 14.323 5.840 662 HB3 LYS 82 1HB LYS 82 9.333 13.203 4.909 663 HG2 LYS 82 2HG LYS 82 10.412 15.225 3.823 664 HG3 LYS 82 1HG LYS 82 9.546 16.234 4.992 665 HD2 LYS 82 2HD LYS 82 10.687 14.965 6.843 666 HD3 LYS 82 1HD LYS 82 11.589 14.061 5.622 667 HE2 LYS 82 2HE LYS 82 12.671 16.123 4.867 668 HE3 LYS 82 1HE LYS 82 11.719 17.066 6.014 669 HZ1 LYS 82 3HZ LYS 82 13.963 16.613 6.806 670 HZ2 LYS 82 1HZ LYS 82 13.657 14.951 6.756 671 HZ3 LYS 82 2HZ LYS 82 12.794 15.938 7.820 672 H TYR 83 H TYR 83 7.947 11.995 2.664 673 HA TYR 83 HA TYR 83 5.458 10.887 3.810 674 HB2 TYR 83 2HB TYR 83 6.208 11.023 0.854 675 HB3 TYR 83 1HB TYR 83 4.887 10.055 1.463 676 HD1 TYR 83 1HD TYR 83 2.849 11.172 2.378 677 HD2 TYR 83 2HD TYR 83 5.997 13.451 0.642 678 HE1 TYR 83 1HE TYR 83 1.375 13.079 2.246 679 HE2 TYR 83 2HE TYR 83 4.509 15.377 0.491 680 HH TYR 83 HH TYR 83 1.662 15.624 2.167 681 H GLY 84 H GLY 84 5.481 8.657 4.043 682 HA2 GLY 84 2HA GLY 84 8.095 7.266 3.692 683 HA3 GLY 84 1HA GLY 84 6.883 6.874 4.912 684 H GLY 85 H GLY 85 7.667 4.728 3.561 685 HA2 GLY 85 2HA GLY 85 5.286 3.840 2.221 686 HA3 GLY 85 1HA GLY 85 6.631 4.063 1.095 687 H VAL 86 H VAL 86 5.674 1.644 1.155 688 HA VAL 86 HA VAL 86 7.960 0.085 2.044 689 HB VAL 86 HB VAL 86 6.445 -0.057 4.015 690 HG11 VAL 86 1HG1 VAL 86 4.243 -1.143 3.875 691 HG12 VAL 86 2HG1 VAL 86 4.402 -1.251 2.118 692 HG13 VAL 86 3HG1 VAL 86 4.307 0.329 2.904 693 HG21 VAL 86 3HG2 VAL 86 6.575 -2.695 2.510 694 HG22 VAL 86 1HG2 VAL 86 6.263 -2.521 4.243 695 HG23 VAL 86 2HG2 VAL 86 7.819 -2.033 3.573 696 H ILE 87 H ILE 87 8.350 -1.580 0.619 697 HA ILE 87 HA ILE 87 6.208 -2.515 -1.179 698 HB ILE 87 HB ILE 87 9.231 -2.624 -1.574 699 HG12 ILE 87 2HG1 ILE 87 7.098 -1.423 -3.362 700 HG13 ILE 87 1HG1 ILE 87 7.956 -0.495 -2.170 701 HG21 ILE 87 1HG2 ILE 87 8.254 -4.790 -2.273 702 HG22 ILE 87 2HG2 ILE 87 8.820 -3.875 -3.671 703 HG23 ILE 87 3HG2 ILE 87 7.097 -3.939 -3.300 704 HD11 ILE 87 3HD1 ILE 87 8.912 -0.101 -4.315 705 HD12 ILE 87 1HD1 ILE 87 9.124 -1.830 -4.601 706 HD13 ILE 87 2HD1 ILE 87 10.073 -1.015 -3.353 707 H ILE 88 H ILE 88 5.310 -3.842 0.313 708 HA ILE 88 HA ILE 88 7.022 -5.870 1.586 709 HB ILE 88 HB ILE 88 5.670 -4.790 3.251 710 HG12 ILE 88 2HG1 ILE 88 4.440 -7.518 2.626 711 HG13 ILE 88 1HG1 ILE 88 6.001 -7.273 3.395 712 HG21 ILE 88 1HG2 ILE 88 3.212 -4.697 3.224 713 HG22 ILE 88 2HG2 ILE 88 3.191 -5.424 1.616 714 HG23 ILE 88 3HG2 ILE 88 3.901 -3.823 1.853 715 HD11 ILE 88 3HD1 ILE 88 4.322 -7.870 4.997 716 HD12 ILE 88 1HD1 ILE 88 3.327 -6.496 4.524 717 HD13 ILE 88 2HD1 ILE 88 4.893 -6.228 5.300 718 H VAL 89 H VAL 89 7.236 -7.553 0.372 719 HA VAL 89 HA VAL 89 5.667 -8.632 -1.584 720 HB VAL 89 HB VAL 89 7.709 -9.786 0.355 721 HG11 VAL 89 1HG1 VAL 89 7.644 -11.942 -0.821 722 HG12 VAL 89 2HG1 VAL 89 6.213 -11.403 -1.723 723 HG13 VAL 89 3HG1 VAL 89 6.131 -11.622 0.029 724 HG21 VAL 89 3HG2 VAL 89 9.006 -10.129 -1.660 725 HG22 VAL 89 1HG2 VAL 89 8.428 -8.457 -1.613 726 HG23 VAL 89 2HG2 VAL 89 7.615 -9.648 -2.656 727 H VAL 90 H VAL 90 3.826 -9.580 -1.558 728 HA VAL 90 HA VAL 90 2.735 -10.841 0.854 729 HB VAL 90 HB VAL 90 1.522 -9.954 -1.797 730 HG11 VAL 90 1HG1 VAL 90 0.365 -12.113 -0.043 731 HG12 VAL 90 2HG1 VAL 90 0.940 -12.282 -1.710 732 HG13 VAL 90 3HG1 VAL 90 -0.469 -11.291 -1.360 733 HG21 VAL 90 3HG2 VAL 90 1.242 -8.576 0.290 734 HG22 VAL 90 1HG2 VAL 90 0.378 -9.956 1.020 735 HG23 VAL 90 2HG2 VAL 90 -0.290 -9.130 -0.410 736 H LYS 91 H LYS 91 2.631 -13.049 0.987 737 HA LYS 91 HA LYS 91 3.380 -14.661 -1.377 738 HB2 LYS 91 2HB LYS 91 3.524 -15.403 1.577 739 HB3 LYS 91 1HB LYS 91 3.955 -16.456 0.227 740 HG2 LYS 91 2HG LYS 91 5.755 -14.885 -0.424 741 HG3 LYS 91 1HG LYS 91 5.324 -13.833 0.930 742 HD2 LYS 91 2HD LYS 91 5.959 -15.616 2.522 743 HD3 LYS 91 1HD LYS 91 6.351 -16.693 1.176 744 HE2 LYS 91 2HE LYS 91 8.126 -15.140 0.450 745 HE3 LYS 91 1HE LYS 91 7.723 -14.049 1.776 746 HZ1 LYS 91 3HZ LYS 91 8.383 -15.713 3.339 747 HZ2 LYS 91 1HZ LYS 91 9.642 -15.450 2.243 748 HZ3 LYS 91 2HZ LYS 91 8.680 -16.836 2.109 749 H TYR 92 H TYR 92 1.277 -14.441 -2.258 750 HA TYR 92 HA TYR 92 -1.066 -15.521 -1.014 751 HB2 TYR 92 2HB TYR 92 -0.367 -15.102 -3.958 752 HB3 TYR 92 1HB TYR 92 -1.940 -15.654 -3.420 753 HD1 TYR 92 1HD TYR 92 -2.935 -14.014 -1.460 754 HD2 TYR 92 2HD TYR 92 -0.280 -12.798 -4.551 755 HE1 TYR 92 1HE TYR 92 -3.746 -11.723 -1.218 756 HE2 TYR 92 2HE TYR 92 -1.094 -10.480 -4.302 757 HH TYR 92 HH TYR 92 -3.152 -9.315 -3.479 758 H GLU 93 H GLU 93 -2.152 -17.443 -2.440 759 HA GLU 93 HA GLU 93 -1.114 -19.876 -1.709 760 HB2 GLU 93 2HB GLU 93 -3.137 -18.901 -3.686 761 HB3 GLU 93 1HB GLU 93 -2.643 -20.552 -3.899 762 HG2 GLU 93 2HG GLU 93 -3.720 -19.447 -1.300 763 HG3 GLU 93 1HG GLU 93 -4.724 -20.194 -2.539 764 H GLU 94 H GLU 94 -0.532 -18.146 -4.725 765 HA GLU 94 HA GLU 94 1.237 -20.293 -5.747 766 HB2 GLU 94 2HB GLU 94 -0.562 -18.541 -7.473 767 HB3 GLU 94 1HB GLU 94 0.323 -19.989 -7.965 768 HG2 GLU 94 2HG GLU 94 -1.146 -21.381 -6.585 769 HG3 GLU 94 1HG GLU 94 -1.989 -19.949 -5.994 770 H GLY 95 H GLY 95 0.597 -16.792 -5.605 771 HA2 GLY 95 2HA GLY 95 3.227 -16.233 -6.899 772 HA3 GLY 95 1HA GLY 95 1.762 -15.370 -7.335 773 H ASN 96 H ASN 96 4.216 -14.251 -6.390 774 HA ASN 96 HA ASN 96 3.448 -12.976 -3.837 775 HB2 ASN 96 2HB ASN 96 5.975 -12.495 -5.457 776 HB3 ASN 96 1HB ASN 96 5.629 -11.878 -3.863 777 HD21 ASN 96 1HD2 ASN 96 5.680 -13.288 -2.108 778 HD22 ASN 96 2HD2 ASN 96 6.555 -14.759 -2.197 779 H VAL 97 H VAL 97 2.500 -11.059 -3.833 780 HA VAL 97 HA VAL 97 2.976 -9.219 -6.109 781 HB VAL 97 HB VAL 97 0.586 -9.337 -4.217 782 HG11 VAL 97 1HG1 VAL 97 1.207 -6.991 -4.502 783 HG12 VAL 97 2HG1 VAL 97 -0.276 -7.325 -5.396 784 HG13 VAL 97 3HG1 VAL 97 1.262 -7.192 -6.254 785 HG21 VAL 97 3HG2 VAL 97 0.454 -10.896 -6.138 786 HG22 VAL 97 1HG2 VAL 97 0.723 -9.554 -7.255 787 HG23 VAL 97 2HG2 VAL 97 -0.751 -9.615 -6.282 788 H ASN 98 H ASN 98 4.364 -7.732 -5.587 789 HA ASN 98 HA ASN 98 5.302 -7.492 -2.831 790 HB2 ASN 98 2HB ASN 98 6.415 -6.427 -5.483 791 HB3 ASN 98 1HB ASN 98 7.211 -6.212 -3.939 792 HD21 ASN 98 1HD2 ASN 98 5.654 -9.255 -4.869 793 HD22 ASN 98 2HD2 ASN 98 7.119 -10.125 -5.072 794 H TYR 99 H TYR 99 3.339 -6.279 -2.184 795 HA TYR 99 HA TYR 99 2.214 -4.108 -3.588 796 HB2 TYR 99 2HB TYR 99 1.946 -5.281 -0.828 797 HB3 TYR 99 1HB TYR 99 1.282 -3.673 -1.064 798 HD1 TYR 99 1HD TYR 99 -0.436 -3.306 -2.852 799 HD2 TYR 99 2HD TYR 99 0.741 -7.212 -1.584 800 HE1 TYR 99 1HE TYR 99 -2.548 -4.206 -3.678 801 HE2 TYR 99 2HE TYR 99 -1.371 -8.101 -2.424 802 HH TYR 99 HH TYR 99 -3.627 -7.292 -2.812 803 H SER 100 H SER 100 2.644 -1.967 -3.657 804 HA SER 100 HA SER 100 4.728 -0.780 -1.928 805 HB2 SER 100 2HB SER 100 5.350 -0.837 -4.305 806 HB3 SER 100 1HB SER 100 3.872 0.020 -4.733 807 HG SER 100 HG SER 100 4.655 1.806 -3.548 808 H LEU 101 H LEU 101 3.459 -0.024 -0.263 809 HA LEU 101 HA LEU 101 1.315 1.937 -0.889 810 HB2 LEU 101 2HB LEU 101 1.701 0.308 1.646 811 HB3 LEU 101 1HB LEU 101 0.374 1.392 1.330 812 HG LEU 101 HG LEU 101 0.184 -0.281 -0.861 813 HD11 LEU 101 1HD1 LEU 101 1.993 -1.651 -0.030 814 HD12 LEU 101 2HD1 LEU 101 0.464 -2.524 -0.182 815 HD13 LEU 101 3HD1 LEU 101 1.034 -2.014 1.414 816 HD21 LEU 101 3HD2 LEU 101 -1.152 -0.837 1.782 817 HD22 LEU 101 1HD2 LEU 101 -1.620 -1.464 0.190 818 HD23 LEU 101 2HD2 LEU 101 -1.720 0.268 0.525 819 H ALA 102 H ALA 102 1.725 3.960 -0.435 820 HA ALA 102 HA ALA 102 3.802 4.690 1.557 821 HB1 ALA 102 1HB ALA 102 4.577 6.465 0.029 822 HB2 ALA 102 2HB ALA 102 3.395 5.954 -1.175 823 HB3 ALA 102 3HB ALA 102 4.715 4.876 -0.734 824 H TYR 103 H TYR 103 3.482 6.568 2.706 825 HA TYR 103 HA TYR 103 0.670 7.457 2.923 826 HB2 TYR 103 2HB TYR 103 2.166 7.128 5.518 827 HB3 TYR 103 1HB TYR 103 0.526 6.734 5.087 828 HD1 TYR 103 1HD TYR 103 3.999 5.498 4.538 829 HD2 TYR 103 2HD TYR 103 -0.119 4.495 5.010 830 HE1 TYR 103 1HE TYR 103 4.560 3.143 4.454 831 HE2 TYR 103 2HE TYR 103 0.450 2.116 4.925 832 HH TYR 103 HH TYR 103 2.369 0.781 3.898 833 H ASP 104 H ASP 104 0.628 9.394 4.533 834 HA ASP 104 HA ASP 104 3.020 11.096 4.308 835 HB2 ASP 104 2HB ASP 104 0.863 12.096 3.833 836 HB3 ASP 104 1HB ASP 104 0.218 11.635 5.333 837 H GLU 105 H GLU 105 3.692 12.290 6.221 838 HA GLU 105 HA GLU 105 4.454 10.869 8.513 839 HB2 GLU 105 2HB GLU 105 4.042 13.844 8.041 840 HB3 GLU 105 1HB GLU 105 4.710 13.205 9.546 841 HG2 GLU 105 2HG GLU 105 6.611 12.306 8.425 842 HG3 GLU 105 1HG GLU 105 5.939 12.657 6.838 843 H ASP 106 H ASP 106 1.374 12.345 7.701 844 HA ASP 106 HA ASP 106 0.246 12.419 10.326 845 HB2 ASP 106 2HB ASP 106 -0.752 13.552 8.301 846 HB3 ASP 106 1HB ASP 106 -1.181 11.969 7.665 847 H MET 107 H MET 107 -0.388 10.140 7.624 848 HA MET 107 HA MET 107 0.450 7.759 8.522 849 HB2 MET 107 2HB MET 107 -0.934 8.080 10.602 850 HB3 MET 107 1HB MET 107 -2.385 8.079 9.616 851 HG2 MET 107 2HG MET 107 -2.292 5.920 10.509 852 HG3 MET 107 1HG MET 107 -1.644 5.724 8.887 853 HE1 MET 107 3HE MET 107 2.090 4.793 9.470 854 HE2 MET 107 1HE MET 107 1.429 6.307 8.842 855 HE3 MET 107 2HE MET 107 0.731 4.764 8.350 856 H ASN 108 H ASN 108 -1.753 9.600 6.681 857 HA ASN 108 HA ASN 108 -3.516 7.495 5.822 858 HB2 ASN 108 2HB ASN 108 -3.275 10.162 4.388 859 HB3 ASN 108 1HB ASN 108 -4.684 9.124 4.555 860 HD21 ASN 108 1HD2 ASN 108 -2.678 11.489 6.027 861 HD22 ASN 108 2HD2 ASN 108 -3.715 11.861 7.337 862 H LEU 109 H LEU 109 -3.338 6.226 4.024 863 HA LEU 109 HA LEU 109 -1.174 6.130 2.342 864 HB2 LEU 109 2HB LEU 109 -3.934 5.025 2.165 865 HB3 LEU 109 1HB LEU 109 -3.036 5.122 0.650 866 HG LEU 109 HG LEU 109 -2.412 3.424 3.091 867 HD11 LEU 109 1HD1 LEU 109 -3.769 2.479 1.298 868 HD12 LEU 109 2HD1 LEU 109 -2.182 1.692 1.377 869 HD13 LEU 109 3HD1 LEU 109 -2.509 2.919 0.136 870 HD21 LEU 109 3HD2 LEU 109 -0.481 4.098 0.859 871 HD22 LEU 109 1HD2 LEU 109 -0.241 2.867 2.112 872 HD23 LEU 109 2HD2 LEU 109 -0.313 4.569 2.558 873 H VAL 110 H VAL 110 -0.524 7.190 0.790 874 HA VAL 110 HA VAL 110 -1.942 9.533 -0.289 875 HB VAL 110 HB VAL 110 0.104 9.625 1.549 876 HG11 VAL 110 1HG1 VAL 110 2.255 10.201 0.502 877 HG12 VAL 110 2HG1 VAL 110 1.612 9.731 -1.075 878 HG13 VAL 110 3HG1 VAL 110 1.798 8.521 0.193 879 HG21 VAL 110 3HG2 VAL 110 0.506 11.916 0.931 880 HG22 VAL 110 1HG2 VAL 110 -1.201 11.525 0.787 881 HG23 VAL 110 2HG2 VAL 110 -0.204 11.652 -0.664 882 H SER 111 H SER 111 -0.206 6.687 -0.757 883 HA SER 111 HA SER 111 -0.426 6.753 -3.639 884 HB2 SER 111 2HB SER 111 1.910 7.611 -3.119 885 HB3 SER 111 1HB SER 111 2.233 6.129 -2.258 886 HG SER 111 HG SER 111 2.041 6.593 -5.000 887 H PHE 112 H PHE 112 -0.778 4.649 -4.354 888 HA PHE 112 HA PHE 112 -0.072 2.390 -2.693 889 HB2 PHE 112 2HB PHE 112 -2.206 2.429 -1.744 890 HB3 PHE 112 1HB PHE 112 -2.968 3.138 -3.156 891 HD1 PHE 112 2HD PHE 112 -1.519 -0.079 -1.814 892 HD2 PHE 112 1HD PHE 112 -4.046 1.693 -4.796 893 HE1 PHE 112 2HE PHE 112 -2.314 -2.294 -2.484 894 HE2 PHE 112 1HE PHE 112 -4.818 -0.545 -5.458 895 HZ PHE 112 HZ PHE 112 -3.950 -2.543 -4.307 896 H THR 113 H THR 113 0.444 0.720 -3.837 897 HA THR 113 HA THR 113 -0.418 0.295 -6.547 898 HB THR 113 HB THR 113 2.597 0.149 -6.301 899 HG1 THR 113 1HG THR 113 2.131 2.180 -5.276 900 HG21 THR 113 3HG2 THR 113 2.558 1.014 -8.582 901 HG22 THR 113 1HG2 THR 113 0.824 1.342 -8.451 902 HG23 THR 113 2HG2 THR 113 1.416 -0.322 -8.425 903 H MET 114 H MET 114 0.635 -1.874 -7.271 904 HA MET 114 HA MET 114 1.001 -3.715 -5.000 905 HB2 MET 114 2HB MET 114 0.868 -4.235 -7.965 906 HB3 MET 114 1HB MET 114 0.901 -5.436 -6.715 907 HG2 MET 114 2HG MET 114 -1.317 -5.020 -6.082 908 HG3 MET 114 1HG MET 114 -1.365 -3.481 -6.917 909 HE1 MET 114 3HE MET 114 -0.876 -7.324 -7.521 910 HE2 MET 114 1HE MET 114 0.290 -6.608 -8.633 911 HE3 MET 114 2HE MET 114 -1.134 -7.434 -9.267 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 11.623 17.677 -3.595 2 H2 GLY 1 2HT GLY 1 11.329 16.011 -3.701 3 H3 GLY 1 3HT GLY 1 12.361 16.760 -4.810 4 HA2 GLY 1 1HA GLY 1 13.954 17.243 -3.103 5 HA3 GLY 1 2HA GLY 1 12.858 16.568 -1.900 6 H GLU 2 H GLU 2 14.583 15.141 -1.309 7 HA GLU 2 HA GLU 2 15.672 13.206 -3.131 8 HB2 GLU 2 2HB GLU 2 16.890 13.970 -1.086 9 HB3 GLU 2 1HB GLU 2 15.658 13.229 -0.080 10 HG2 GLU 2 2HG GLU 2 17.638 11.814 -0.149 11 HG3 GLU 2 1HG GLU 2 16.281 10.997 -0.921 12 H ILE 3 H ILE 3 14.999 11.147 -3.506 13 HA ILE 3 HA ILE 3 12.673 10.077 -1.998 14 HB ILE 3 HB ILE 3 13.516 9.280 -4.845 15 HG12 ILE 3 2HG1 ILE 3 12.772 11.680 -4.773 16 HG13 ILE 3 1HG1 ILE 3 11.719 10.669 -5.734 17 HG21 ILE 3 1HG2 ILE 3 10.968 8.669 -3.283 18 HG22 ILE 3 2HG2 ILE 3 12.254 7.527 -3.674 19 HG23 ILE 3 3HG2 ILE 3 11.270 8.213 -4.966 20 HD11 ILE 3 3HD1 ILE 3 10.086 10.645 -3.907 21 HD12 ILE 3 1HD1 ILE 3 10.476 12.279 -4.440 22 HD13 ILE 3 2HD1 ILE 3 11.168 11.658 -2.942 23 H LEU 4 H LEU 4 13.436 8.743 -0.577 24 HA LEU 4 HA LEU 4 16.036 7.584 -0.585 25 HB2 LEU 4 2HB LEU 4 13.669 7.317 1.298 26 HB3 LEU 4 1HB LEU 4 15.287 6.762 1.652 27 HG LEU 4 HG LEU 4 14.655 8.803 2.837 28 HD11 LEU 4 1HD1 LEU 4 16.678 10.104 2.470 29 HD12 LEU 4 2HD1 LEU 4 16.956 9.236 0.958 30 HD13 LEU 4 3HD1 LEU 4 16.995 8.374 2.501 31 HD21 LEU 4 3HD2 LEU 4 14.647 10.327 0.263 32 HD22 LEU 4 1HD2 LEU 4 14.415 10.971 1.890 33 HD23 LEU 4 2HD2 LEU 4 13.215 9.884 1.193 34 H LYS 5 H LYS 5 16.545 5.365 -0.553 35 HA LYS 5 HA LYS 5 14.520 3.375 -1.317 36 HB2 LYS 5 2HB LYS 5 16.623 1.809 -1.284 37 HB3 LYS 5 1HB LYS 5 16.409 2.954 -2.590 38 HG2 LYS 5 2HG LYS 5 18.717 2.953 -1.975 39 HG3 LYS 5 1HG LYS 5 18.007 4.489 -1.482 40 HD2 LYS 5 2HD LYS 5 17.929 3.731 0.865 41 HD3 LYS 5 1HD LYS 5 18.542 2.143 0.390 42 HE2 LYS 5 2HE LYS 5 20.669 3.124 -0.284 43 HE3 LYS 5 1HE LYS 5 20.064 4.748 0.030 44 HZ1 LYS 5 3HZ LYS 5 21.485 3.937 1.804 45 HZ2 LYS 5 1HZ LYS 5 20.446 2.630 2.076 46 HZ3 LYS 5 2HZ LYS 5 19.915 4.209 2.369 47 H GLU 6 H GLU 6 14.498 4.728 1.246 48 HA GLU 6 HA GLU 6 14.244 2.568 3.132 49 HB2 GLU 6 2HB GLU 6 15.873 3.465 4.748 50 HB3 GLU 6 1HB GLU 6 16.693 3.040 3.248 51 HG2 GLU 6 2HG GLU 6 16.749 5.394 2.575 52 HG3 GLU 6 1HG GLU 6 15.852 5.862 4.028 53 H LEU 7 H LEU 7 13.732 3.707 5.388 54 HA LEU 7 HA LEU 7 11.859 5.888 4.986 55 HB2 LEU 7 2HB LEU 7 12.672 4.321 7.453 56 HB3 LEU 7 1HB LEU 7 11.519 5.652 7.494 57 HG LEU 7 HG LEU 7 11.177 3.021 6.010 58 HD11 LEU 7 1HD1 LEU 7 9.393 2.568 7.579 59 HD12 LEU 7 2HD1 LEU 7 9.754 4.062 8.455 60 HD13 LEU 7 3HD1 LEU 7 10.943 2.755 8.387 61 HD21 LEU 7 3HD2 LEU 7 8.877 3.775 5.507 62 HD22 LEU 7 1HD2 LEU 7 10.085 4.807 4.748 63 HD23 LEU 7 2HD2 LEU 7 9.244 5.362 6.198 64 HA PRO 8 HA PRO 8 15.028 8.955 6.354 65 HB2 PRO 8 2HB PRO 8 13.492 11.150 5.748 66 HB3 PRO 8 1HB PRO 8 14.415 10.276 4.504 67 HG2 PRO 8 2HG PRO 8 11.497 10.052 5.187 68 HG3 PRO 8 1HG PRO 8 12.268 10.156 3.588 69 HD2 PRO 8 2HD PRO 8 11.462 7.783 4.645 70 HD3 PRO 8 1HD PRO 8 12.875 7.898 3.589 71 H GLU 9 H GLU 9 13.990 11.289 7.576 72 HA GLU 9 HA GLU 9 13.363 10.239 10.183 73 HB2 GLU 9 2HB GLU 9 13.724 13.107 9.222 74 HB3 GLU 9 1HB GLU 9 13.504 12.644 10.915 75 HG2 GLU 9 2HG GLU 9 15.547 11.235 10.746 76 HG3 GLU 9 1HG GLU 9 15.793 11.837 9.105 77 H GLY 10 H GLY 10 11.573 10.456 11.371 78 HA2 GLY 10 2HA GLY 10 9.543 11.443 12.043 79 HA3 GLY 10 1HA GLY 10 9.288 12.012 10.406 80 H PHE 11 H PHE 11 10.236 8.766 10.317 81 HA PHE 11 HA PHE 11 7.440 7.762 10.369 82 HB2 PHE 11 2HB PHE 11 9.506 6.787 8.366 83 HB3 PHE 11 1HB PHE 11 7.797 6.461 8.367 84 HD1 PHE 11 2HD PHE 11 6.210 8.524 8.025 85 HD2 PHE 11 1HD PHE 11 10.345 8.515 7.138 86 HE1 PHE 11 2HE PHE 11 5.890 10.482 6.627 87 HE2 PHE 11 1HE PHE 11 10.040 10.518 5.738 88 HZ PHE 11 HZ PHE 11 7.807 11.485 5.497 89 H ASP 12 H ASP 12 7.307 5.432 10.575 90 HA ASP 12 HA ASP 12 9.404 4.216 12.264 91 HB2 ASP 12 2HB ASP 12 6.391 4.268 12.760 92 HB3 ASP 12 1HB ASP 12 7.535 3.309 13.673 93 H LYS 13 H LYS 13 9.767 2.080 11.833 94 HA LYS 13 HA LYS 13 9.185 1.217 9.252 95 HB2 LYS 13 2HB LYS 13 10.443 -0.259 11.583 96 HB3 LYS 13 1HB LYS 13 10.477 -0.780 9.912 97 HG2 LYS 13 2HG LYS 13 11.726 1.304 9.316 98 HG3 LYS 13 1HG LYS 13 11.775 1.717 11.031 99 HD2 LYS 13 2HD LYS 13 13.887 0.684 10.342 100 HD3 LYS 13 1HD LYS 13 13.049 -0.366 11.488 101 HE2 LYS 13 2HE LYS 13 12.237 -1.754 9.604 102 HE3 LYS 13 1HE LYS 13 13.076 -0.691 8.466 103 HZ1 LYS 13 3HZ LYS 13 14.425 -2.229 10.619 104 HZ2 LYS 13 1HZ LYS 13 15.157 -1.353 9.373 105 HZ3 LYS 13 2HZ LYS 13 14.286 -2.757 9.019 106 H GLU 14 H GLU 14 8.081 -0.127 12.388 107 HA GLU 14 HA GLU 14 6.612 -2.255 11.119 108 HB2 GLU 14 2HB GLU 14 5.961 -2.984 13.325 109 HB3 GLU 14 1HB GLU 14 7.660 -2.533 13.381 110 HG2 GLU 14 2HG GLU 14 5.395 -0.744 14.341 111 HG3 GLU 14 1HG GLU 14 6.286 -1.843 15.388 112 H THR 15 H THR 15 5.883 0.928 12.344 113 HA THR 15 HA THR 15 3.056 0.819 12.469 114 HB THR 15 HB THR 15 4.858 3.236 11.932 115 HG1 THR 15 1HG THR 15 4.473 1.669 14.185 116 HG21 THR 15 3HG2 THR 15 2.111 3.077 13.227 117 HG22 THR 15 1HG2 THR 15 2.455 3.723 11.622 118 HG23 THR 15 2HG2 THR 15 3.091 4.535 13.050 119 H VAL 16 H VAL 16 5.308 1.869 9.972 120 HA VAL 16 HA VAL 16 3.521 2.497 7.864 121 HB VAL 16 HB VAL 16 6.504 1.929 8.098 122 HG11 VAL 16 1HG1 VAL 16 6.846 2.438 5.695 123 HG12 VAL 16 2HG1 VAL 16 5.100 2.387 5.452 124 HG13 VAL 16 3HG1 VAL 16 5.961 0.932 5.941 125 HG21 VAL 16 3HG2 VAL 16 5.669 4.154 8.771 126 HG22 VAL 16 1HG2 VAL 16 4.965 4.389 7.168 127 HG23 VAL 16 2HG2 VAL 16 6.719 4.283 7.360 128 H ARG 17 H ARG 17 5.496 -0.385 8.534 129 HA ARG 17 HA ARG 17 4.870 -1.936 6.323 130 HB2 ARG 17 2HB ARG 17 6.703 -2.360 7.976 131 HB3 ARG 17 1HB ARG 17 5.501 -2.931 9.130 132 HG2 ARG 17 2HG ARG 17 4.893 -4.752 7.507 133 HG3 ARG 17 1HG ARG 17 6.205 -4.201 6.459 134 HD2 ARG 17 2HD ARG 17 7.803 -4.617 8.328 135 HD3 ARG 17 1HD ARG 17 6.473 -5.270 9.288 136 HE ARG 17 HE ARG 17 6.799 -6.563 6.735 137 HH11 ARG 17 1HH1 ARG 17 7.869 -6.623 10.094 138 HH12 ARG 17 2HH1 ARG 17 8.376 -8.278 10.015 139 HH21 ARG 17 1HH2 ARG 17 7.548 -8.693 6.650 140 HH22 ARG 17 2HH2 ARG 17 8.195 -9.440 8.070 141 H LYS 18 H LYS 18 3.218 -1.771 9.487 142 HA LYS 18 HA LYS 18 1.395 -3.895 8.989 143 HB2 LYS 18 2HB LYS 18 2.182 -3.167 11.261 144 HB3 LYS 18 1HB LYS 18 1.180 -1.724 11.104 145 HG2 LYS 18 2HG LYS 18 -0.819 -3.205 10.840 146 HG3 LYS 18 1HG LYS 18 0.230 -4.602 11.120 147 HD2 LYS 18 2HD LYS 18 0.738 -3.799 13.379 148 HD3 LYS 18 1HD LYS 18 -0.210 -2.332 13.101 149 HE2 LYS 18 2HE LYS 18 -1.308 -5.171 13.161 150 HE3 LYS 18 1HE LYS 18 -1.483 -3.970 14.439 151 HZ1 LYS 18 3HZ LYS 18 -2.847 -2.644 13.067 152 HZ2 LYS 18 1HZ LYS 18 -3.439 -4.221 12.941 153 HZ3 LYS 18 2HZ LYS 18 -2.516 -3.557 11.686 154 H GLN 19 H GLN 19 1.174 -0.341 8.732 155 HA GLN 19 HA GLN 19 -1.622 -0.167 8.223 156 HB2 GLN 19 2HB GLN 19 -0.176 1.783 8.828 157 HB3 GLN 19 1HB GLN 19 0.599 1.688 7.253 158 HG2 GLN 19 2HG GLN 19 -1.034 3.501 7.260 159 HG3 GLN 19 1HG GLN 19 -1.564 2.234 6.158 160 HE21 GLN 19 1HE2 GLN 19 -3.427 1.039 6.668 161 HE22 GLN 19 2HE2 GLN 19 -4.541 1.545 7.890 162 H ALA 20 H ALA 20 1.018 -1.225 6.290 163 HA ALA 20 HA ALA 20 -0.254 -0.920 3.696 164 HB1 ALA 20 1HB ALA 20 1.774 -2.065 2.890 165 HB2 ALA 20 2HB ALA 20 2.294 -2.344 4.556 166 HB3 ALA 20 3HB ALA 20 2.188 -0.698 3.935 167 H MET 21 H MET 21 0.657 -3.466 6.072 168 HA MET 21 HA MET 21 -0.007 -5.786 4.770 169 HB2 MET 21 2HB MET 21 -0.550 -5.184 7.714 170 HB3 MET 21 1HB MET 21 -0.561 -6.799 7.017 171 HG2 MET 21 2HG MET 21 1.817 -6.602 6.528 172 HG3 MET 21 1HG MET 21 1.820 -4.983 7.242 173 HE1 MET 21 3HE MET 21 3.849 -6.989 8.329 174 HE2 MET 21 1HE MET 21 3.612 -6.885 10.074 175 HE3 MET 21 2HE MET 21 3.564 -5.421 9.092 176 H GLU 22 H GLU 22 -2.063 -3.847 6.833 177 HA GLU 22 HA GLU 22 -4.455 -5.282 6.567 178 HB2 GLU 22 2HB GLU 22 -4.024 -2.361 7.341 179 HB3 GLU 22 1HB GLU 22 -5.509 -3.276 7.617 180 HG2 GLU 22 2HG GLU 22 -4.320 -4.798 9.123 181 HG3 GLU 22 1HG GLU 22 -2.799 -3.968 8.808 182 H ASP 23 H ASP 23 -3.231 -2.363 4.863 183 HA ASP 23 HA ASP 23 -5.559 -1.771 3.412 184 HB2 ASP 23 2HB ASP 23 -3.648 -0.174 3.611 185 HB3 ASP 23 1HB ASP 23 -2.680 -1.187 2.542 186 H ILE 24 H ILE 24 -2.854 -3.920 2.637 187 HA ILE 24 HA ILE 24 -3.459 -4.641 -0.015 188 HB ILE 24 HB ILE 24 -2.194 -6.306 2.217 189 HG12 ILE 24 2HG1 ILE 24 -0.778 -4.808 -0.037 190 HG13 ILE 24 1HG1 ILE 24 -1.006 -4.145 1.573 191 HG21 ILE 24 1HG2 ILE 24 -1.249 -7.754 0.483 192 HG22 ILE 24 2HG2 ILE 24 -2.092 -6.844 -0.774 193 HG23 ILE 24 3HG2 ILE 24 -3.008 -7.778 0.413 194 HD11 ILE 24 3HD1 ILE 24 1.223 -5.037 1.311 195 HD12 ILE 24 1HD1 ILE 24 0.576 -6.624 0.892 196 HD13 ILE 24 2HD1 ILE 24 0.338 -5.971 2.516 197 H GLU 25 H GLU 25 -4.550 -5.893 3.097 198 HA GLU 25 HA GLU 25 -6.040 -8.092 2.106 199 HB2 GLU 25 2HB GLU 25 -6.058 -6.781 4.837 200 HB3 GLU 25 1HB GLU 25 -6.827 -8.326 4.467 201 HG2 GLU 25 2HG GLU 25 -4.669 -9.340 3.983 202 HG3 GLU 25 1HG GLU 25 -3.849 -7.792 4.189 203 H ILE 26 H ILE 26 -6.834 -4.824 2.922 204 HA ILE 26 HA ILE 26 -9.709 -5.147 2.800 205 HB ILE 26 HB ILE 26 -7.989 -2.618 2.844 206 HG12 ILE 26 2HG1 ILE 26 -9.391 -3.872 5.240 207 HG13 ILE 26 1HG1 ILE 26 -7.754 -4.328 4.795 208 HG21 ILE 26 1HG2 ILE 26 -9.993 -1.466 3.714 209 HG22 ILE 26 2HG2 ILE 26 -10.928 -2.958 3.554 210 HG23 ILE 26 3HG2 ILE 26 -10.302 -2.150 2.116 211 HD11 ILE 26 3HD1 ILE 26 -8.645 -1.555 5.533 212 HD12 ILE 26 1HD1 ILE 26 -7.007 -2.057 5.098 213 HD13 ILE 26 2HD1 ILE 26 -7.768 -2.696 6.553 214 H ALA 27 H ALA 27 -7.099 -4.455 0.613 215 HA ALA 27 HA ALA 27 -8.642 -3.237 -1.510 216 HB1 ALA 27 1HB ALA 27 -6.241 -2.755 -1.259 217 HB2 ALA 27 2HB ALA 27 -6.563 -3.470 -2.840 218 HB3 ALA 27 3HB ALA 27 -5.851 -4.452 -1.555 219 H GLN 28 H GLN 28 -7.222 -6.425 -0.855 220 HA GLN 28 HA GLN 28 -8.206 -7.663 -3.253 221 HB2 GLN 28 2HB GLN 28 -7.164 -9.670 -2.454 222 HB3 GLN 28 1HB GLN 28 -6.090 -8.330 -2.077 223 HG2 GLN 28 2HG GLN 28 -6.967 -8.374 0.264 224 HG3 GLN 28 1HG GLN 28 -7.898 -9.811 -0.147 225 HE21 GLN 28 1HE2 GLN 28 -4.692 -8.532 0.407 226 HE22 GLN 28 2HE2 GLN 28 -3.889 -10.053 0.525 227 H SER 29 H SER 29 -9.519 -7.050 -0.142 228 HA SER 29 HA SER 29 -11.691 -8.982 -0.337 229 HB2 SER 29 2HB SER 29 -10.750 -8.381 1.868 230 HB3 SER 29 1HB SER 29 -11.172 -6.690 1.603 231 HG SER 29 HG SER 29 -13.147 -7.100 2.191 232 H LYS 30 H LYS 30 -11.088 -6.489 -2.221 233 HA LYS 30 HA LYS 30 -12.065 -4.740 -3.217 234 HB2 LYS 30 2HB LYS 30 -14.057 -5.275 -4.549 235 HB3 LYS 30 1HB LYS 30 -12.878 -6.572 -4.598 236 HG2 LYS 30 2HG LYS 30 -15.158 -6.778 -2.639 237 HG3 LYS 30 1HG LYS 30 -15.490 -7.056 -4.351 238 HD2 LYS 30 2HD LYS 30 -13.937 -8.914 -4.428 239 HD3 LYS 30 1HD LYS 30 -13.315 -8.546 -2.819 240 HE2 LYS 30 2HE LYS 30 -15.457 -9.163 -1.818 241 HE3 LYS 30 1HE LYS 30 -16.151 -9.434 -3.416 242 HZ1 LYS 30 3HZ LYS 30 -15.484 -11.494 -2.299 243 HZ2 LYS 30 1HZ LYS 30 -13.875 -10.971 -2.283 244 HZ3 LYS 30 2HZ LYS 30 -14.652 -11.266 -3.755 245 H ASP 31 H ASP 31 -12.099 -4.105 -0.768 246 HA ASP 31 HA ASP 31 -14.696 -2.952 -0.105 247 HB2 ASP 31 2HB ASP 31 -11.966 -2.735 1.225 248 HB3 ASP 31 1HB ASP 31 -13.344 -1.766 1.731 249 H TYR 32 H TYR 32 -15.204 -0.899 -0.362 250 HA TYR 32 HA TYR 32 -13.506 0.787 -2.107 251 HB2 TYR 32 2HB TYR 32 -16.520 1.107 -1.765 252 HB3 TYR 32 1HB TYR 32 -15.513 1.615 -3.121 253 HD1 TYR 32 1HD TYR 32 -14.034 -0.782 -3.862 254 HD2 TYR 32 2HD TYR 32 -18.095 -0.476 -2.584 255 HE1 TYR 32 1HE TYR 32 -14.516 -2.912 -4.951 256 HE2 TYR 32 2HE TYR 32 -18.602 -2.616 -3.702 257 HH TYR 32 HH TYR 32 -16.111 -4.707 -4.874 258 H GLU 33 H GLU 33 -16.059 1.078 0.377 259 HA GLU 33 HA GLU 33 -15.160 3.757 1.124 260 HB2 GLU 33 2HB GLU 33 -17.476 2.058 2.177 261 HB3 GLU 33 1HB GLU 33 -17.200 3.761 2.542 262 HG2 GLU 33 2HG GLU 33 -17.995 2.515 -0.103 263 HG3 GLU 33 1HG GLU 33 -18.890 3.692 0.857 264 H SER 34 H SER 34 -14.926 0.483 2.466 265 HA SER 34 HA SER 34 -13.917 1.285 5.038 266 HB2 SER 34 2HB SER 34 -13.420 -1.336 3.559 267 HB3 SER 34 1HB SER 34 -13.249 -1.054 5.292 268 HG SER 34 HG SER 34 -15.268 -2.065 4.371 269 H TRP 35 H TRP 35 -12.554 0.446 1.919 270 HA TRP 35 HA TRP 35 -9.784 0.605 2.592 271 HB2 TRP 35 2HB TRP 35 -10.932 -0.696 0.692 272 HB3 TRP 35 1HB TRP 35 -11.062 0.829 -0.168 273 HD1 TRP 35 HD TRP 35 -8.062 -0.941 1.615 274 HE1 TRP 35 1HE TRP 35 -6.100 -1.011 -0.041 275 HE3 TRP 35 3HE TRP 35 -10.300 1.298 -2.407 276 HZ2 TRP 35 2HZ TRP 35 -5.576 -0.258 -2.693 277 HZ3 TRP 35 3HZ TRP 35 -8.989 1.577 -4.483 278 HH2 TRP 35 HH TRP 35 -6.669 0.813 -4.619 279 H LYS 36 H LYS 36 -12.215 2.819 1.524 280 HA LYS 36 HA LYS 36 -10.940 5.075 0.582 281 HB2 LYS 36 2HB LYS 36 -13.535 4.332 1.431 282 HB3 LYS 36 1HB LYS 36 -13.160 5.660 2.495 283 HG2 LYS 36 2HG LYS 36 -14.323 6.562 0.696 284 HG3 LYS 36 1HG LYS 36 -12.664 6.999 0.430 285 HD2 LYS 36 2HD LYS 36 -12.410 5.244 -1.246 286 HD3 LYS 36 1HD LYS 36 -14.057 4.680 -0.924 287 HE2 LYS 36 2HE LYS 36 -13.332 7.424 -1.983 288 HE3 LYS 36 1HE LYS 36 -13.887 6.070 -2.974 289 HZ1 LYS 36 3HZ LYS 36 -15.695 7.568 -2.496 290 HZ2 LYS 36 1HZ LYS 36 -15.439 7.434 -0.835 291 HZ3 LYS 36 2HZ LYS 36 -15.985 6.101 -1.715 292 H SER 37 H SER 37 -11.613 4.118 3.933 293 HA SER 37 HA SER 37 -10.743 6.542 5.150 294 HB2 SER 37 2HB SER 37 -11.279 3.833 6.433 295 HB3 SER 37 1HB SER 37 -11.211 5.390 7.267 296 HG SER 37 HG SER 37 -12.934 5.688 5.315 297 H ARG 38 H ARG 38 -8.947 3.950 3.904 298 HA ARG 38 HA ARG 38 -6.612 4.270 5.558 299 HB2 ARG 38 2HB ARG 38 -7.183 2.874 2.947 300 HB3 ARG 38 1HB ARG 38 -5.511 3.190 3.379 301 HG2 ARG 38 2HG ARG 38 -6.217 0.910 3.998 302 HG3 ARG 38 1HG ARG 38 -5.706 1.858 5.392 303 HD2 ARG 38 2HD ARG 38 -8.638 1.626 4.681 304 HD3 ARG 38 1HD ARG 38 -7.820 0.371 5.600 305 HE ARG 38 HE ARG 38 -7.244 2.750 6.878 306 HH11 ARG 38 1HH1 ARG 38 -10.158 0.856 6.251 307 HH12 ARG 38 2HH1 ARG 38 -10.966 1.440 7.669 308 HH21 ARG 38 1HH2 ARG 38 -8.336 3.519 8.685 309 HH22 ARG 38 2HH2 ARG 38 -9.935 2.948 9.047 310 H PHE 39 H PHE 39 -7.783 5.484 2.446 311 HA PHE 39 HA PHE 39 -5.478 6.979 1.715 312 HB2 PHE 39 2HB PHE 39 -8.342 7.090 0.683 313 HB3 PHE 39 1HB PHE 39 -7.007 7.978 -0.053 314 HD1 PHE 39 2HD PHE 39 -4.993 6.653 -0.857 315 HD2 PHE 39 1HD PHE 39 -8.767 4.840 0.040 316 HE1 PHE 39 2HE PHE 39 -4.296 4.661 -2.083 317 HE2 PHE 39 1HE PHE 39 -8.063 2.845 -1.209 318 HZ PHE 39 HZ PHE 39 -5.843 2.744 -2.273 319 H THR 40 H THR 40 -5.236 9.220 1.481 320 HA THR 40 HA THR 40 -6.193 11.044 3.381 321 HB THR 40 HB THR 40 -5.073 12.730 2.223 322 HG1 THR 40 1HG THR 40 -4.889 12.762 -0.104 323 HG21 THR 40 3HG2 THR 40 -3.457 10.851 2.449 324 HG22 THR 40 1HG2 THR 40 -3.093 11.921 1.095 325 HG23 THR 40 2HG2 THR 40 -3.852 10.357 0.798 326 H LYS 41 H LYS 41 -7.685 12.794 3.118 327 HA LYS 41 HA LYS 41 -10.233 12.257 2.139 328 HB2 LYS 41 2HB LYS 41 -8.746 14.753 2.870 329 HB3 LYS 41 1HB LYS 41 -10.352 14.906 2.196 330 HG2 LYS 41 2HG LYS 41 -9.539 13.524 4.773 331 HG3 LYS 41 1HG LYS 41 -10.519 14.987 4.600 332 HD2 LYS 41 2HD LYS 41 -12.313 13.638 3.513 333 HD3 LYS 41 1HD LYS 41 -11.333 12.182 3.703 334 HE2 LYS 41 2HE LYS 41 -11.397 12.604 6.207 335 HE3 LYS 41 1HE LYS 41 -12.599 13.859 5.892 336 HZ1 LYS 41 3HZ LYS 41 -12.829 10.966 5.274 337 HZ2 LYS 41 1HZ LYS 41 -13.967 12.128 4.806 338 HZ3 LYS 41 2HZ LYS 41 -13.692 11.823 6.447 339 H ASP 42 H ASP 42 -7.557 13.922 0.641 340 HA ASP 42 HA ASP 42 -8.691 14.875 -1.728 341 HB2 ASP 42 2HB ASP 42 -5.898 13.978 -0.991 342 HB3 ASP 42 1HB ASP 42 -6.260 14.857 -2.467 343 H LEU 43 H LEU 43 -7.108 11.759 -0.967 344 HA LEU 43 HA LEU 43 -7.335 10.770 -3.661 345 HB2 LEU 43 2HB LEU 43 -6.138 9.700 -1.127 346 HB3 LEU 43 1HB LEU 43 -6.566 8.549 -2.379 347 HG LEU 43 HG LEU 43 -5.171 10.084 -3.957 348 HD11 LEU 43 1HD1 LEU 43 -3.317 11.283 -2.949 349 HD12 LEU 43 2HD1 LEU 43 -3.971 10.952 -1.342 350 HD13 LEU 43 3HD1 LEU 43 -4.872 11.967 -2.473 351 HD21 LEU 43 3HD2 LEU 43 -4.544 7.796 -3.401 352 HD22 LEU 43 1HD2 LEU 43 -3.775 8.353 -1.912 353 HD23 LEU 43 2HD2 LEU 43 -3.124 8.835 -3.481 354 H GLN 44 H GLN 44 -9.445 10.731 -0.895 355 HA GLN 44 HA GLN 44 -10.885 8.328 -1.552 356 HB2 GLN 44 2HB GLN 44 -11.766 10.736 0.047 357 HB3 GLN 44 1HB GLN 44 -12.672 9.233 -0.078 358 HG2 GLN 44 2HG GLN 44 -10.781 8.005 0.887 359 HG3 GLN 44 1HG GLN 44 -9.873 9.503 1.031 360 HE21 GLN 44 1HE2 GLN 44 -9.652 9.235 3.216 361 HE22 GLN 44 2HE2 GLN 44 -10.961 9.447 4.294 362 H SER 45 H SER 45 -10.637 11.226 -3.215 363 HA SER 45 HA SER 45 -13.180 10.862 -4.669 364 HB2 SER 45 2HB SER 45 -11.152 13.085 -4.865 365 HB3 SER 45 1HB SER 45 -12.785 13.088 -5.536 366 HG SER 45 HG SER 45 -13.608 13.190 -3.468 367 H SER 46 H SER 46 -10.144 9.638 -4.780 368 HA SER 46 HA SER 46 -9.612 10.032 -7.650 369 HB2 SER 46 2HB SER 46 -7.803 10.583 -6.008 370 HB3 SER 46 1HB SER 46 -7.770 8.892 -5.515 371 HG SER 46 HG SER 46 -7.347 8.487 -7.866 372 H LEU 47 H LEU 47 -10.483 7.547 -5.313 373 HA LEU 47 HA LEU 47 -9.699 5.296 -6.830 374 HB2 LEU 47 2HB LEU 47 -11.975 5.343 -4.817 375 HB3 LEU 47 1HB LEU 47 -11.062 3.948 -5.361 376 HG LEU 47 HG LEU 47 -10.164 4.309 -3.292 377 HD11 LEU 47 1HD1 LEU 47 -8.315 6.023 -4.907 378 HD12 LEU 47 2HD1 LEU 47 -8.304 4.258 -4.833 379 HD13 LEU 47 3HD1 LEU 47 -7.930 5.197 -3.391 380 HD21 LEU 47 3HD2 LEU 47 -11.390 6.175 -2.613 381 HD22 LEU 47 1HD2 LEU 47 -10.392 7.242 -3.597 382 HD23 LEU 47 2HD2 LEU 47 -9.697 6.416 -2.200 383 H THR 48 H THR 48 -10.583 4.344 -8.472 384 HA THR 48 HA THR 48 -13.393 4.855 -9.301 385 HB THR 48 HB THR 48 -12.667 4.255 -11.612 386 HG1 THR 48 1HG THR 48 -10.023 4.185 -10.537 387 HG21 THR 48 3HG2 THR 48 -11.254 6.204 -12.145 388 HG22 THR 48 1HG2 THR 48 -10.903 6.426 -10.431 389 HG23 THR 48 2HG2 THR 48 -12.550 6.648 -11.031 390 H GLU 49 H GLU 49 -14.307 2.815 -10.509 391 HA GLU 49 HA GLU 49 -13.964 0.465 -8.985 392 HB2 GLU 49 2HB GLU 49 -15.166 0.821 -11.735 393 HB3 GLU 49 1HB GLU 49 -15.152 -0.703 -10.888 394 HG2 GLU 49 2HG GLU 49 -17.308 0.239 -10.564 395 HG3 GLU 49 1HG GLU 49 -16.449 0.354 -9.038 396 H GLU 50 H GLU 50 -12.518 1.668 -11.932 397 HA GLU 50 HA GLU 50 -11.136 -0.540 -12.898 398 HB2 GLU 50 2HB GLU 50 -11.376 2.185 -13.560 399 HB3 GLU 50 1HB GLU 50 -9.672 2.037 -13.184 400 HG2 GLU 50 2HG GLU 50 -11.216 0.465 -15.261 401 HG3 GLU 50 1HG GLU 50 -10.084 1.775 -15.578 402 H SER 51 H SER 51 -10.284 1.704 -10.287 403 HA SER 51 HA SER 51 -7.628 0.971 -9.772 404 HB2 SER 51 2HB SER 51 -9.709 1.863 -7.730 405 HB3 SER 51 1HB SER 51 -7.952 1.966 -7.552 406 HG SER 51 HG SER 51 -8.010 3.349 -9.445 407 H TYR 52 H TYR 52 -10.653 -0.504 -8.699 408 HA TYR 52 HA TYR 52 -9.196 -2.810 -7.551 409 HB2 TYR 52 2HB TYR 52 -11.512 -2.993 -6.150 410 HB3 TYR 52 1HB TYR 52 -10.117 -2.114 -5.564 411 HD1 TYR 52 1HD TYR 52 -13.334 -1.451 -7.547 412 HD2 TYR 52 2HD TYR 52 -10.447 0.029 -4.743 413 HE1 TYR 52 1HE TYR 52 -14.711 0.526 -7.119 414 HE2 TYR 52 2HE TYR 52 -11.827 2.010 -4.361 415 HH TYR 52 HH TYR 52 -15.055 2.227 -5.432 416 H ASP 53 H ASP 53 -9.939 -2.538 -10.261 417 HA ASP 53 HA ASP 53 -11.774 -4.867 -10.510 418 HB2 ASP 53 2HB ASP 53 -12.908 -2.760 -11.291 419 HB3 ASP 53 1HB ASP 53 -11.607 -2.506 -12.444 420 H SER 54 H SER 54 -9.429 -2.867 -12.334 421 HA SER 54 HA SER 54 -8.220 -4.885 -13.879 422 HB2 SER 54 2HB SER 54 -7.816 -2.483 -14.308 423 HB3 SER 54 1HB SER 54 -6.986 -2.320 -12.762 424 HG SER 54 HG SER 54 -5.401 -2.577 -14.239 425 H TYR 55 H TYR 55 -7.408 -3.586 -10.690 426 HA TYR 55 HA TYR 55 -5.201 -5.075 -9.943 427 HB2 TYR 55 2HB TYR 55 -5.869 -3.231 -8.572 428 HB3 TYR 55 1HB TYR 55 -7.513 -3.828 -8.406 429 HD1 TYR 55 1HD TYR 55 -3.986 -4.541 -7.390 430 HD2 TYR 55 2HD TYR 55 -8.127 -5.131 -6.487 431 HE1 TYR 55 1HE TYR 55 -3.382 -5.620 -5.281 432 HE2 TYR 55 2HE TYR 55 -7.503 -6.215 -4.375 433 HH TYR 55 HH TYR 55 -4.332 -6.115 -3.096 434 H LEU 56 H LEU 56 -8.666 -5.944 -9.641 435 HA LEU 56 HA LEU 56 -8.264 -8.289 -8.113 436 HB2 LEU 56 2HB LEU 56 -10.607 -7.469 -9.857 437 HB3 LEU 56 1HB LEU 56 -10.617 -8.913 -8.853 438 HG LEU 56 HG LEU 56 -10.469 -6.031 -7.882 439 HD11 LEU 56 1HD1 LEU 56 -12.652 -8.108 -7.579 440 HD12 LEU 56 2HD1 LEU 56 -12.693 -6.690 -8.633 441 HD13 LEU 56 3HD1 LEU 56 -12.652 -6.481 -6.885 442 HD21 LEU 56 3HD2 LEU 56 -10.427 -8.581 -6.231 443 HD22 LEU 56 1HD2 LEU 56 -10.595 -6.940 -5.592 444 HD23 LEU 56 2HD2 LEU 56 -9.108 -7.419 -6.400 445 H LYS 57 H LYS 57 -8.221 -7.728 -11.606 446 HA LYS 57 HA LYS 57 -8.439 -10.315 -12.602 447 HB2 LYS 57 2HB LYS 57 -6.712 -8.050 -13.623 448 HB3 LYS 57 1HB LYS 57 -7.110 -9.495 -14.532 449 HG2 LYS 57 2HG LYS 57 -9.188 -7.526 -13.543 450 HG3 LYS 57 1HG LYS 57 -8.427 -7.444 -15.116 451 HD2 LYS 57 2HD LYS 57 -10.409 -8.537 -15.651 452 HD3 LYS 57 1HD LYS 57 -9.322 -9.901 -15.425 453 HE2 LYS 57 2HE LYS 57 -10.231 -10.208 -13.123 454 HE3 LYS 57 1HE LYS 57 -11.323 -8.845 -13.401 455 HZ1 LYS 57 3HZ LYS 57 -12.432 -10.058 -15.101 456 HZ2 LYS 57 1HZ LYS 57 -12.335 -11.054 -13.740 457 HZ3 LYS 57 2HZ LYS 57 -11.298 -11.309 -15.048 458 H ILE 58 H ILE 58 -5.581 -8.586 -11.429 459 HA ILE 58 HA ILE 58 -3.623 -10.580 -11.832 460 HB ILE 58 HB ILE 58 -3.746 -8.366 -9.722 461 HG12 ILE 58 2HG1 ILE 58 -1.811 -7.402 -11.180 462 HG13 ILE 58 1HG1 ILE 58 -2.343 -8.526 -12.415 463 HG21 ILE 58 1HG2 ILE 58 -2.311 -10.116 -8.828 464 HG22 ILE 58 2HG2 ILE 58 -1.322 -8.736 -9.302 465 HG23 ILE 58 3HG2 ILE 58 -1.380 -10.173 -10.326 466 HD11 ILE 58 3HD1 ILE 58 -3.210 -6.309 -12.775 467 HD12 ILE 58 1HD1 ILE 58 -3.981 -6.330 -11.191 468 HD13 ILE 58 2HD1 ILE 58 -4.522 -7.443 -12.451 469 H LEU 59 H LEU 59 -5.646 -9.754 -9.053 470 HA LEU 59 HA LEU 59 -4.642 -11.463 -7.100 471 HB2 LEU 59 2HB LEU 59 -6.275 -9.542 -6.889 472 HB3 LEU 59 1HB LEU 59 -7.521 -10.615 -7.397 473 HG LEU 59 HG LEU 59 -6.950 -12.087 -5.384 474 HD11 LEU 59 1HD1 LEU 59 -5.752 -11.068 -3.519 475 HD12 LEU 59 2HD1 LEU 59 -5.401 -9.640 -4.499 476 HD13 LEU 59 3HD1 LEU 59 -4.713 -11.208 -4.937 477 HD21 LEU 59 3HD2 LEU 59 -8.942 -10.718 -5.399 478 HD22 LEU 59 1HD2 LEU 59 -8.021 -9.299 -4.890 479 HD23 LEU 59 2HD2 LEU 59 -8.210 -10.669 -3.794 480 H GLU 60 H GLU 60 -7.119 -12.032 -9.521 481 HA GLU 60 HA GLU 60 -8.417 -14.199 -8.468 482 HB2 GLU 60 2HB GLU 60 -8.009 -13.284 -11.325 483 HB3 GLU 60 1HB GLU 60 -9.027 -14.632 -10.930 484 HG2 GLU 60 2HG GLU 60 -10.331 -13.064 -9.406 485 HG3 GLU 60 1HG GLU 60 -9.427 -11.775 -10.179 486 H LYS 61 H LYS 61 -5.353 -14.102 -10.140 487 HA LYS 61 HA LYS 61 -5.256 -17.048 -10.451 488 HB2 LYS 61 2HB LYS 61 -3.518 -16.679 -12.152 489 HB3 LYS 61 1HB LYS 61 -5.002 -15.824 -12.567 490 HG2 LYS 61 2HG LYS 61 -3.972 -13.740 -11.596 491 HG3 LYS 61 1HG LYS 61 -2.465 -14.634 -11.423 492 HD2 LYS 61 2HD LYS 61 -3.918 -14.031 -14.032 493 HD3 LYS 61 1HD LYS 61 -2.443 -13.249 -13.457 494 HE2 LYS 61 2HE LYS 61 -2.721 -16.185 -14.216 495 HE3 LYS 61 1HE LYS 61 -1.939 -14.930 -15.178 496 HZ1 LYS 61 3HZ LYS 61 -1.048 -15.819 -12.486 497 HZ2 LYS 61 1HZ LYS 61 -0.279 -14.667 -13.457 498 HZ3 LYS 61 2HZ LYS 61 -0.348 -16.284 -13.949 499 H GLN 62 H GLN 62 -4.465 -14.813 -8.266 500 HA GLN 62 HA GLN 62 -1.707 -15.515 -7.690 501 HB2 GLN 62 2HB GLN 62 -3.702 -13.714 -6.287 502 HB3 GLN 62 1HB GLN 62 -2.075 -13.947 -5.739 503 HG2 GLN 62 2HG GLN 62 -3.005 -12.592 -8.220 504 HG3 GLN 62 1HG GLN 62 -2.179 -11.869 -6.855 505 HE21 GLN 62 1HE2 GLN 62 -1.884 -13.592 -9.777 506 HE22 GLN 62 2HE2 GLN 62 -0.180 -13.643 -9.848 507 H GLY 63 H GLY 63 -4.899 -16.500 -6.647 508 HA2 GLY 63 2HA GLY 63 -5.539 -17.930 -4.900 509 HA3 GLY 63 1HA GLY 63 -3.856 -18.072 -4.422 510 H GLU 64 H GLU 64 -5.062 -17.825 -2.260 511 HA GLU 64 HA GLU 64 -5.764 -15.048 -1.584 512 HB2 GLU 64 2HB GLU 64 -6.229 -17.710 -0.213 513 HB3 GLU 64 1HB GLU 64 -6.490 -16.187 0.641 514 HG2 GLU 64 2HG GLU 64 -8.195 -15.517 -0.927 515 HG3 GLU 64 1HG GLU 64 -7.831 -16.882 -1.968 516 H PHE 65 H PHE 65 -5.096 -14.168 0.410 517 HA PHE 65 HA PHE 65 -2.301 -14.004 0.689 518 HB2 PHE 65 2HB PHE 65 -3.484 -12.025 1.231 519 HB3 PHE 65 1HB PHE 65 -4.614 -12.867 2.282 520 HD1 PHE 65 2HD PHE 65 -0.898 -12.236 2.045 521 HD2 PHE 65 1HD PHE 65 -4.328 -12.547 4.605 522 HE1 PHE 65 2HE PHE 65 0.490 -11.772 4.000 523 HE2 PHE 65 1HE PHE 65 -2.909 -12.078 6.552 524 HZ PHE 65 HZ PHE 65 -0.499 -11.696 6.255 525 H LYS 66 H LYS 66 -0.993 -15.375 1.610 526 HA LYS 66 HA LYS 66 -1.860 -17.013 3.925 527 HB2 LYS 66 2HB LYS 66 0.318 -17.666 1.881 528 HB3 LYS 66 1HB LYS 66 -0.232 -18.709 3.194 529 HG2 LYS 66 2HG LYS 66 -1.878 -17.851 0.778 530 HG3 LYS 66 1HG LYS 66 -1.140 -19.440 1.028 531 HD2 LYS 66 2HD LYS 66 -2.608 -19.891 2.917 532 HD3 LYS 66 1HD LYS 66 -3.229 -18.238 2.893 533 HE2 LYS 66 2HE LYS 66 -4.258 -18.656 0.692 534 HE3 LYS 66 1HE LYS 66 -3.641 -20.310 0.715 535 HZ1 LYS 66 3HZ LYS 66 -5.531 -19.161 2.697 536 HZ2 LYS 66 1HZ LYS 66 -4.966 -20.755 2.665 537 HZ3 LYS 66 2HZ LYS 66 -5.957 -20.182 1.421 538 H GLU 67 H GLU 67 0.590 -14.867 2.601 539 HA GLU 67 HA GLU 67 2.010 -14.535 5.092 540 HB2 GLU 67 2HB GLU 67 2.816 -16.739 4.340 541 HB3 GLU 67 1HB GLU 67 3.169 -16.098 2.746 542 HG2 GLU 67 2HG GLU 67 5.230 -16.327 3.829 543 HG3 GLU 67 1HG GLU 67 4.896 -14.619 3.794 544 H PHE 68 H PHE 68 3.794 -12.970 4.837 545 HA PHE 68 HA PHE 68 3.962 -11.465 2.284 546 HB2 PHE 68 2HB PHE 68 4.528 -10.512 5.135 547 HB3 PHE 68 1HB PHE 68 4.797 -9.557 3.686 548 HD1 PHE 68 1HD PHE 68 2.482 -9.671 2.098 549 HD2 PHE 68 2HD PHE 68 2.684 -9.732 6.367 550 HE1 PHE 68 1HE PHE 68 0.232 -8.721 2.221 551 HE2 PHE 68 2HE PHE 68 0.424 -8.774 6.476 552 HZ PHE 68 HZ PHE 68 -0.796 -8.254 4.409 553 H GLY 69 H GLY 69 6.097 -11.059 1.505 554 HA2 GLY 69 2HA GLY 69 8.171 -12.897 2.318 555 HA3 GLY 69 1HA GLY 69 8.220 -11.724 1.024 556 H LYS 70 H LYS 70 9.322 -9.936 1.297 557 HA LYS 70 HA LYS 70 10.230 -9.067 3.981 558 HB2 LYS 70 2HB LYS 70 11.781 -9.186 1.367 559 HB3 LYS 70 1HB LYS 70 12.346 -8.293 2.781 560 HG2 LYS 70 2HG LYS 70 12.401 -10.384 4.084 561 HG3 LYS 70 1HG LYS 70 11.814 -11.283 2.680 562 HD2 LYS 70 2HD LYS 70 13.881 -10.604 1.443 563 HD3 LYS 70 1HD LYS 70 14.469 -9.811 2.908 564 HE2 LYS 70 2HE LYS 70 15.491 -12.028 2.659 565 HE3 LYS 70 1HE LYS 70 14.445 -12.002 4.081 566 HZ1 LYS 70 3HZ LYS 70 13.712 -13.115 1.422 567 HZ2 LYS 70 1HZ LYS 70 12.720 -13.106 2.792 568 HZ3 LYS 70 2HZ LYS 70 14.138 -14.025 2.781 569 H CYS 71 H CYS 71 11.079 -6.695 3.784 570 HA CYS 71 HA CYS 71 9.104 -5.105 2.279 571 HB2 CYS 71 2HB CYS 71 9.636 -4.739 5.221 572 HB3 CYS 71 1HB CYS 71 8.407 -3.961 4.262 573 HG CYS 71 HG CYS 71 7.512 -6.847 3.725 574 H THR 72 H THR 72 10.530 -4.072 1.011 575 HA THR 72 HA THR 72 12.828 -2.598 2.106 576 HB THR 72 HB THR 72 11.817 -2.735 -0.744 577 HG1 THR 72 1HG THR 72 13.414 -4.465 0.729 578 HG21 THR 72 3HG2 THR 72 13.216 -0.764 -0.388 579 HG22 THR 72 1HG2 THR 72 14.084 -1.947 -1.371 580 HG23 THR 72 2HG2 THR 72 14.479 -1.768 0.339 581 H TYR 73 H TYR 73 12.272 -0.709 3.018 582 HA TYR 73 HA TYR 73 9.742 0.548 2.528 583 HB2 TYR 73 2HB TYR 73 12.013 1.535 4.294 584 HB3 TYR 73 1HB TYR 73 10.395 2.164 4.243 585 HD1 TYR 73 2HD TYR 73 8.527 0.979 5.186 586 HD2 TYR 73 1HD TYR 73 12.460 -0.671 5.395 587 HE1 TYR 73 2HE TYR 73 7.755 -0.649 6.866 588 HE2 TYR 73 1HE TYR 73 11.692 -2.304 7.066 589 HH TYR 73 HH TYR 73 8.438 -2.931 7.641 590 H LEU 74 H LEU 74 9.335 2.489 1.652 591 HA LEU 74 HA LEU 74 11.364 3.743 -0.059 592 HB2 LEU 74 2HB LEU 74 8.370 4.282 0.071 593 HB3 LEU 74 1HB LEU 74 9.491 4.948 -1.095 594 HG LEU 74 HG LEU 74 8.236 3.310 -2.188 595 HD11 LEU 74 1HD1 LEU 74 10.629 3.276 -2.770 596 HD12 LEU 74 2HD1 LEU 74 9.870 1.707 -3.007 597 HD13 LEU 74 3HD1 LEU 74 10.889 1.983 -1.590 598 HD21 LEU 74 3HD2 LEU 74 8.859 1.279 -0.078 599 HD22 LEU 74 1HD2 LEU 74 7.947 1.003 -1.564 600 HD23 LEU 74 2HD2 LEU 74 7.312 2.091 -0.334 601 H GLY 75 H GLY 75 11.422 6.040 -0.107 602 HA2 GLY 75 2HA GLY 75 10.243 7.562 2.098 603 HA3 GLY 75 1HA GLY 75 12.002 7.580 1.922 604 H GLN 76 H GLN 76 10.027 9.720 1.586 605 HA GLN 76 HA GLN 76 10.773 10.631 -1.091 606 HB2 GLN 76 2HB GLN 76 7.868 10.784 -0.178 607 HB3 GLN 76 1HB GLN 76 8.507 11.163 -1.767 608 HG2 GLN 76 2HG GLN 76 8.863 8.810 -2.238 609 HG3 GLN 76 1HG GLN 76 8.446 8.368 -0.586 610 HE21 GLN 76 1HE2 GLN 76 6.281 8.212 -0.001 611 HE22 GLN 76 2HE2 GLN 76 4.994 8.262 -1.153 612 H ILE 77 H ILE 77 10.902 12.853 -1.179 613 HA ILE 77 HA ILE 77 9.450 14.472 0.825 614 HB ILE 77 HB ILE 77 12.242 15.227 -0.201 615 HG12 ILE 77 2HG1 ILE 77 12.611 15.239 2.486 616 HG13 ILE 77 1HG1 ILE 77 11.334 14.044 2.434 617 HG21 ILE 77 1HG2 ILE 77 12.036 17.207 1.266 618 HG22 ILE 77 2HG2 ILE 77 10.397 16.718 1.707 619 HG23 ILE 77 3HG2 ILE 77 10.766 17.179 0.040 620 HD11 ILE 77 3HD1 ILE 77 13.459 12.973 2.480 621 HD12 ILE 77 1HD1 ILE 77 14.009 13.883 1.073 622 HD13 ILE 77 2HD1 ILE 77 12.717 12.689 0.901 623 H LYS 78 H LYS 78 8.097 15.761 -0.221 624 HA LYS 78 HA LYS 78 7.881 15.435 -3.099 625 HB2 LYS 78 2HB LYS 78 5.954 15.132 -1.565 626 HB3 LYS 78 1HB LYS 78 6.075 16.820 -1.085 627 HG2 LYS 78 2HG LYS 78 5.533 17.480 -3.422 628 HG3 LYS 78 1HG LYS 78 5.360 15.774 -3.830 629 HD2 LYS 78 2HD LYS 78 3.155 16.700 -3.441 630 HD3 LYS 78 1HD LYS 78 3.540 15.571 -2.143 631 HE2 LYS 78 2HE LYS 78 4.148 17.509 -0.686 632 HE3 LYS 78 1HE LYS 78 3.670 18.605 -1.987 633 HZ1 LYS 78 3HZ LYS 78 1.431 17.599 -1.875 634 HZ2 LYS 78 1HZ LYS 78 1.877 18.383 -0.448 635 HZ3 LYS 78 2HZ LYS 78 1.919 16.696 -0.534 636 H ASP 79 H ASP 79 8.473 17.958 -0.762 637 HA ASP 79 HA ASP 79 9.382 19.965 -2.508 638 HB2 ASP 79 2HB ASP 79 7.041 20.049 -3.311 639 HB3 ASP 79 1HB ASP 79 6.444 20.167 -1.663 640 H ASN 80 H ASN 80 7.201 19.768 0.287 641 HA ASN 80 HA ASN 80 9.318 20.642 2.091 642 HB2 ASN 80 2HB ASN 80 7.694 22.208 3.237 643 HB3 ASN 80 1HB ASN 80 8.229 22.701 1.639 644 HD21 ASN 80 1HD2 ASN 80 6.427 24.058 1.462 645 HD22 ASN 80 2HD2 ASN 80 4.893 23.408 1.046 646 H LYS 81 H LYS 81 6.985 18.463 1.388 647 HA LYS 81 HA LYS 81 6.640 17.606 4.185 648 HB2 LYS 81 2HB LYS 81 4.883 17.309 1.732 649 HB3 LYS 81 1HB LYS 81 4.765 16.138 3.031 650 HG2 LYS 81 2HG LYS 81 4.192 19.107 3.181 651 HG3 LYS 81 1HG LYS 81 3.046 17.770 3.332 652 HD2 LYS 81 2HD LYS 81 4.753 17.141 5.387 653 HD3 LYS 81 1HD LYS 81 4.966 18.893 5.357 654 HE2 LYS 81 2HE LYS 81 3.233 18.406 6.944 655 HE3 LYS 81 1HE LYS 81 2.441 19.089 5.522 656 HZ1 LYS 81 3HZ LYS 81 1.253 17.162 6.342 657 HZ2 LYS 81 1HZ LYS 81 2.639 16.199 6.183 658 HZ3 LYS 81 2HZ LYS 81 1.897 16.845 4.812 659 H LYS 82 H LYS 82 6.859 15.392 4.612 660 HA LYS 82 HA LYS 82 8.640 13.914 2.761 661 HB2 LYS 82 2HB LYS 82 8.421 13.699 5.795 662 HB3 LYS 82 1HB LYS 82 9.511 12.756 4.775 663 HG2 LYS 82 2HG LYS 82 10.639 14.878 4.102 664 HG3 LYS 82 1HG LYS 82 9.591 15.760 5.221 665 HD2 LYS 82 2HD LYS 82 10.517 14.473 7.112 666 HD3 LYS 82 1HD LYS 82 11.540 13.554 6.002 667 HE2 LYS 82 2HE LYS 82 12.792 15.349 7.163 668 HE3 LYS 82 1HE LYS 82 12.774 15.584 5.415 669 HZ1 LYS 82 3HZ LYS 82 10.938 16.952 7.303 670 HZ2 LYS 82 1HZ LYS 82 11.100 17.257 5.646 671 HZ3 LYS 82 2HZ LYS 82 12.367 17.629 6.705 672 H TYR 83 H TYR 83 8.272 11.611 2.629 673 HA TYR 83 HA TYR 83 5.670 10.590 3.554 674 HB2 TYR 83 2HB TYR 83 6.513 10.551 0.623 675 HB3 TYR 83 1HB TYR 83 5.092 9.754 1.275 676 HD1 TYR 83 2HD TYR 83 6.591 13.052 0.460 677 HD2 TYR 83 1HD TYR 83 3.092 11.024 1.808 678 HE1 TYR 83 2HE TYR 83 5.285 15.113 0.193 679 HE2 TYR 83 1HE TYR 83 1.798 13.059 1.530 680 HH TYR 83 HH TYR 83 2.146 15.480 1.470 681 H GLY 84 H GLY 84 5.598 8.406 3.857 682 HA2 GLY 84 2HA GLY 84 8.176 6.931 3.580 683 HA3 GLY 84 1HA GLY 84 7.060 6.746 4.934 684 H GLY 85 H GLY 85 8.087 4.942 2.597 685 HA2 GLY 85 2HA GLY 85 5.434 3.743 2.015 686 HA3 GLY 85 1HA GLY 85 6.750 3.778 0.857 687 H VAL 86 H VAL 86 5.814 1.424 1.233 688 HA VAL 86 HA VAL 86 8.110 0.007 2.246 689 HB VAL 86 HB VAL 86 6.851 -0.007 4.297 690 HG11 VAL 86 1HG1 VAL 86 4.459 -1.064 2.760 691 HG12 VAL 86 2HG1 VAL 86 4.623 0.561 3.434 692 HG13 VAL 86 3HG1 VAL 86 4.551 -0.835 4.511 693 HG21 VAL 86 3HG2 VAL 86 7.946 -2.138 3.760 694 HG22 VAL 86 1HG2 VAL 86 6.479 -2.704 2.955 695 HG23 VAL 86 2HG2 VAL 86 6.473 -2.403 4.695 696 H ILE 87 H ILE 87 8.601 -1.401 0.709 697 HA ILE 87 HA ILE 87 6.583 -2.457 -1.152 698 HB ILE 87 HB ILE 87 9.638 -2.710 -1.198 699 HG12 ILE 87 2HG1 ILE 87 7.724 -1.360 -3.152 700 HG13 ILE 87 1HG1 ILE 87 8.674 -0.520 -1.950 701 HG21 ILE 87 1HG2 ILE 87 7.627 -3.934 -3.136 702 HG22 ILE 87 2HG2 ILE 87 8.663 -4.822 -2.016 703 HG23 ILE 87 3HG2 ILE 87 9.380 -3.927 -3.356 704 HD11 ILE 87 3HD1 ILE 87 10.731 -1.258 -3.088 705 HD12 ILE 87 1HD1 ILE 87 9.675 -0.303 -4.127 706 HD13 ILE 87 2HD1 ILE 87 9.739 -2.053 -4.314 707 H ILE 88 H ILE 88 5.507 -3.649 0.348 708 HA ILE 88 HA ILE 88 6.956 -5.812 1.729 709 HB ILE 88 HB ILE 88 5.667 -4.555 3.309 710 HG12 ILE 88 2HG1 ILE 88 4.041 -7.065 2.720 711 HG13 ILE 88 1HG1 ILE 88 5.612 -7.066 3.516 712 HG21 ILE 88 1HG2 ILE 88 3.201 -4.888 1.567 713 HG22 ILE 88 2HG2 ILE 88 4.101 -3.391 1.829 714 HG23 ILE 88 3HG2 ILE 88 3.239 -4.144 3.171 715 HD11 ILE 88 3HD1 ILE 88 3.846 -7.293 5.132 716 HD12 ILE 88 1HD1 ILE 88 3.075 -5.809 4.574 717 HD13 ILE 88 2HD1 ILE 88 4.653 -5.744 5.366 718 H VAL 89 H VAL 89 7.220 -7.277 0.188 719 HA VAL 89 HA VAL 89 5.312 -7.920 -1.791 720 HB VAL 89 HB VAL 89 7.634 -8.507 -2.138 721 HG11 VAL 89 1HG1 VAL 89 8.322 -9.045 0.055 722 HG12 VAL 89 2HG1 VAL 89 8.780 -10.291 -1.110 723 HG13 VAL 89 3HG1 VAL 89 7.404 -10.548 -0.037 724 HG21 VAL 89 3HG2 VAL 89 5.986 -11.041 -2.117 725 HG22 VAL 89 1HG2 VAL 89 7.394 -10.711 -3.133 726 HG23 VAL 89 2HG2 VAL 89 5.905 -9.794 -3.370 727 H VAL 90 H VAL 90 3.729 -9.264 -1.810 728 HA VAL 90 HA VAL 90 2.906 -10.706 0.562 729 HB VAL 90 HB VAL 90 1.615 -9.879 -2.072 730 HG11 VAL 90 1HG1 VAL 90 1.127 -12.205 -1.937 731 HG12 VAL 90 2HG1 VAL 90 -0.307 -11.265 -1.561 732 HG13 VAL 90 3HG1 VAL 90 0.588 -12.038 -0.254 733 HG21 VAL 90 3HG2 VAL 90 0.565 -9.815 0.783 734 HG22 VAL 90 1HG2 VAL 90 -0.199 -9.089 -0.654 735 HG23 VAL 90 2HG2 VAL 90 1.339 -8.440 -0.049 736 H LYS 91 H LYS 91 2.995 -12.903 0.704 737 HA LYS 91 HA LYS 91 3.488 -14.535 -1.714 738 HB2 LYS 91 2HB LYS 91 3.700 -15.288 1.237 739 HB3 LYS 91 1HB LYS 91 4.004 -16.370 -0.119 740 HG2 LYS 91 2HG LYS 91 5.913 -14.924 -0.812 741 HG3 LYS 91 1HG LYS 91 5.619 -13.893 0.593 742 HD2 LYS 91 2HD LYS 91 6.113 -15.780 2.100 743 HD3 LYS 91 1HD LYS 91 6.328 -16.856 0.721 744 HE2 LYS 91 2HE LYS 91 8.295 -15.602 0.008 745 HE3 LYS 91 1HE LYS 91 8.045 -14.420 1.293 746 HZ1 LYS 91 3HZ LYS 91 9.749 -16.004 1.884 747 HZ2 LYS 91 1HZ LYS 91 8.676 -17.294 1.679 748 HZ3 LYS 91 2HZ LYS 91 8.423 -16.170 2.918 749 H TYR 92 H TYR 92 1.286 -14.164 -2.467 750 HA TYR 92 HA TYR 92 -0.972 -15.304 -1.118 751 HB2 TYR 92 2HB TYR 92 -0.511 -14.796 -4.099 752 HB3 TYR 92 1HB TYR 92 -2.035 -15.366 -3.436 753 HD1 TYR 92 1HD TYR 92 -2.813 -13.753 -1.317 754 HD2 TYR 92 2HD TYR 92 -0.524 -12.511 -4.686 755 HE1 TYR 92 1HE TYR 92 -3.561 -11.452 -0.950 756 HE2 TYR 92 2HE TYR 92 -1.260 -10.177 -4.321 757 HH TYR 92 HH TYR 92 -3.205 -9.020 -3.237 758 H GLU 93 H GLU 93 -2.136 -17.267 -2.274 759 HA GLU 93 HA GLU 93 -0.773 -19.516 -1.423 760 HB2 GLU 93 2HB GLU 93 -3.296 -19.204 -1.697 761 HB3 GLU 93 1HB GLU 93 -3.071 -19.516 -3.414 762 HG2 GLU 93 2HG GLU 93 -2.112 -21.730 -2.881 763 HG3 GLU 93 1HG GLU 93 -2.392 -21.424 -1.171 764 H GLU 94 H GLU 94 -1.123 -18.277 -4.682 765 HA GLU 94 HA GLU 94 0.556 -20.413 -5.858 766 HB2 GLU 94 2HB GLU 94 -1.410 -18.582 -7.306 767 HB3 GLU 94 1HB GLU 94 -0.604 -20.009 -7.963 768 HG2 GLU 94 2HG GLU 94 -1.900 -21.454 -6.469 769 HG3 GLU 94 1HG GLU 94 -2.656 -20.043 -5.722 770 H GLY 95 H GLY 95 0.103 -16.924 -5.473 771 HA2 GLY 95 2HA GLY 95 2.338 -16.341 -7.355 772 HA3 GLY 95 1HA GLY 95 0.851 -15.411 -7.309 773 H ASN 96 H ASN 96 3.418 -14.314 -6.994 774 HA ASN 96 HA ASN 96 3.084 -13.077 -4.307 775 HB2 ASN 96 2HB ASN 96 5.694 -13.223 -5.886 776 HB3 ASN 96 1HB ASN 96 5.472 -12.518 -4.302 777 HD21 ASN 96 1HD2 ASN 96 5.470 -13.833 -2.531 778 HD22 ASN 96 2HD2 ASN 96 5.805 -15.518 -2.623 779 H VAL 97 H VAL 97 2.795 -10.940 -4.316 780 HA VAL 97 HA VAL 97 3.642 -9.334 -6.640 781 HB VAL 97 HB VAL 97 1.022 -8.799 -5.133 782 HG11 VAL 97 1HG1 VAL 97 2.063 -6.779 -6.057 783 HG12 VAL 97 2HG1 VAL 97 0.585 -7.154 -6.944 784 HG13 VAL 97 3HG1 VAL 97 2.158 -7.529 -7.653 785 HG21 VAL 97 3HG2 VAL 97 -0.220 -9.473 -7.165 786 HG22 VAL 97 1HG2 VAL 97 0.679 -10.822 -6.464 787 HG23 VAL 97 2HG2 VAL 97 1.293 -10.010 -7.904 788 H ASN 98 H ASN 98 4.844 -7.663 -6.028 789 HA ASN 98 HA ASN 98 5.461 -7.346 -3.204 790 HB2 ASN 98 2HB ASN 98 6.683 -5.776 -5.512 791 HB3 ASN 98 1HB ASN 98 7.403 -6.107 -3.953 792 HD21 ASN 98 1HD2 ASN 98 8.354 -8.122 -3.652 793 HD22 ASN 98 2HD2 ASN 98 8.750 -9.147 -4.967 794 H TYR 99 H TYR 99 3.741 -6.154 -2.254 795 HA TYR 99 HA TYR 99 2.458 -3.962 -3.669 796 HB2 TYR 99 2HB TYR 99 2.133 -5.248 -0.936 797 HB3 TYR 99 1HB TYR 99 1.295 -3.739 -1.307 798 HD1 TYR 99 1HD TYR 99 1.636 -7.312 -2.278 799 HD2 TYR 99 2HD TYR 99 -0.636 -3.730 -2.743 800 HE1 TYR 99 1HE TYR 99 -0.110 -8.570 -3.450 801 HE2 TYR 99 2HE TYR 99 -2.382 -4.994 -3.916 802 HH TYR 99 HH TYR 99 -2.456 -7.170 -5.302 803 H SER 100 H SER 100 3.653 -2.108 -3.937 804 HA SER 100 HA SER 100 5.185 -0.905 -1.766 805 HB2 SER 100 2HB SER 100 6.030 -0.750 -4.090 806 HB3 SER 100 1HB SER 100 4.584 0.125 -4.578 807 HG SER 100 HG SER 100 5.224 1.850 -3.371 808 H LEU 101 H LEU 101 3.800 -0.228 -0.186 809 HA LEU 101 HA LEU 101 1.529 1.561 -0.849 810 HB2 LEU 101 2HB LEU 101 1.964 -0.457 1.310 811 HB3 LEU 101 1HB LEU 101 1.064 0.964 1.759 812 HG LEU 101 HG LEU 101 -0.465 -0.806 1.080 813 HD11 LEU 101 1HD1 LEU 101 -1.090 1.418 0.738 814 HD12 LEU 101 2HD1 LEU 101 -1.783 0.354 -0.468 815 HD13 LEU 101 3HD1 LEU 101 -0.415 1.386 -0.901 816 HD21 LEU 101 3HD2 LEU 101 -0.573 -1.738 -1.160 817 HD22 LEU 101 1HD2 LEU 101 0.987 -2.103 -0.427 818 HD23 LEU 101 2HD2 LEU 101 0.860 -0.816 -1.628 819 H ALA 102 H ALA 102 1.425 3.621 0.003 820 HA ALA 102 HA ALA 102 3.621 4.650 1.632 821 HB1 ALA 102 1HB ALA 102 4.667 4.515 -0.602 822 HB2 ALA 102 2HB ALA 102 4.476 6.199 -0.099 823 HB3 ALA 102 3HB ALA 102 3.363 5.494 -1.276 824 H TYR 103 H TYR 103 3.178 6.553 2.565 825 HA TYR 103 HA TYR 103 0.431 7.600 2.347 826 HB2 TYR 103 2HB TYR 103 1.405 7.323 5.154 827 HB3 TYR 103 1HB TYR 103 -0.106 6.840 4.429 828 HD1 TYR 103 2HD TYR 103 3.423 5.733 4.855 829 HD2 TYR 103 1HD TYR 103 -0.606 4.559 4.094 830 HE1 TYR 103 2HE TYR 103 4.084 3.391 4.958 831 HE2 TYR 103 1HE TYR 103 0.062 2.204 4.200 832 HH TYR 103 HH TYR 103 2.211 0.913 3.789 833 H ASP 104 H ASP 104 0.297 9.672 3.748 834 HA ASP 104 HA ASP 104 2.693 11.304 3.719 835 HB2 ASP 104 2HB ASP 104 0.185 12.066 5.266 836 HB3 ASP 104 1HB ASP 104 1.375 13.101 4.496 837 H GLU 105 H GLU 105 2.919 12.588 6.072 838 HA GLU 105 HA GLU 105 3.937 10.641 7.923 839 HB2 GLU 105 2HB GLU 105 3.442 13.595 8.421 840 HB3 GLU 105 1HB GLU 105 4.551 12.550 9.297 841 HG2 GLU 105 2HG GLU 105 6.205 13.152 7.881 842 HG3 GLU 105 1HG GLU 105 5.346 12.365 6.572 843 H ASP 106 H ASP 106 0.871 12.094 7.453 844 HA ASP 106 HA ASP 106 -0.250 11.605 10.078 845 HB2 ASP 106 2HB ASP 106 -1.042 13.481 8.658 846 HB3 ASP 106 1HB ASP 106 -1.528 12.349 7.405 847 H MET 107 H MET 107 0.566 9.623 7.463 848 HA MET 107 HA MET 107 0.467 7.405 7.126 849 HB2 MET 107 2HB MET 107 -1.180 7.333 9.664 850 HB3 MET 107 1HB MET 107 -0.790 5.887 8.745 851 HG2 MET 107 2HG MET 107 1.636 6.412 9.062 852 HG3 MET 107 1HG MET 107 1.163 7.742 10.123 853 HE1 MET 107 3HE MET 107 0.917 3.883 9.488 854 HE2 MET 107 1HE MET 107 -0.763 4.300 9.838 855 HE3 MET 107 2HE MET 107 0.159 3.318 10.978 856 H ASN 108 H ASN 108 -1.770 9.389 6.366 857 HA ASN 108 HA ASN 108 -3.840 7.609 5.416 858 HB2 ASN 108 2HB ASN 108 -4.584 9.738 4.178 859 HB3 ASN 108 1HB ASN 108 -4.736 9.747 5.900 860 HD21 ASN 108 1HD2 ASN 108 -4.768 12.048 4.336 861 HD22 ASN 108 2HD2 ASN 108 -3.375 12.993 4.686 862 H LEU 109 H LEU 109 -3.923 6.798 3.381 863 HA LEU 109 HA LEU 109 -1.476 6.425 2.043 864 HB2 LEU 109 2HB LEU 109 -4.217 5.410 1.681 865 HB3 LEU 109 1HB LEU 109 -3.268 5.461 0.187 866 HG LEU 109 HG LEU 109 -2.570 3.950 2.732 867 HD11 LEU 109 1HD1 LEU 109 -3.190 3.100 -0.065 868 HD12 LEU 109 2HD1 LEU 109 -4.251 2.922 1.340 869 HD13 LEU 109 3HD1 LEU 109 -2.720 2.034 1.267 870 HD21 LEU 109 3HD2 LEU 109 -0.971 4.241 0.171 871 HD22 LEU 109 1HD2 LEU 109 -0.616 3.117 1.501 872 HD23 LEU 109 2HD2 LEU 109 -0.519 4.857 1.769 873 H VAL 110 H VAL 110 -0.542 7.459 0.613 874 HA VAL 110 HA VAL 110 -1.833 9.676 -0.834 875 HB VAL 110 HB VAL 110 0.164 9.865 1.015 876 HG11 VAL 110 1HG1 VAL 110 1.795 8.464 -0.155 877 HG12 VAL 110 2HG1 VAL 110 2.383 10.119 0.015 878 HG13 VAL 110 3HG1 VAL 110 1.765 9.560 -1.540 879 HG21 VAL 110 3HG2 VAL 110 0.713 12.036 0.194 880 HG22 VAL 110 1HG2 VAL 110 -1.004 11.722 -0.088 881 HG23 VAL 110 2HG2 VAL 110 0.140 11.626 -1.436 882 H SER 111 H SER 111 -0.409 6.628 -1.062 883 HA SER 111 HA SER 111 -0.537 6.478 -3.924 884 HB2 SER 111 2HB SER 111 2.171 6.146 -2.526 885 HB3 SER 111 1HB SER 111 1.844 5.709 -4.204 886 HG SER 111 HG SER 111 1.746 8.306 -3.063 887 H PHE 112 H PHE 112 -1.546 4.521 -4.130 888 HA PHE 112 HA PHE 112 -0.583 2.214 -2.517 889 HB2 PHE 112 2HB PHE 112 -2.867 2.214 -1.925 890 HB3 PHE 112 1HB PHE 112 -3.406 2.860 -3.458 891 HD1 PHE 112 1HD PHE 112 -2.453 -0.252 -1.613 892 HD2 PHE 112 2HD PHE 112 -3.758 1.282 -5.418 893 HE1 PHE 112 1HE PHE 112 -3.034 -2.513 -2.354 894 HE2 PHE 112 2HE PHE 112 -4.342 -0.998 -6.113 895 HZ PHE 112 HZ PHE 112 -3.979 -2.902 -4.592 896 H THR 113 H THR 113 0.601 0.937 -3.725 897 HA THR 113 HA THR 113 0.058 0.602 -6.579 898 HB THR 113 HB THR 113 2.957 1.117 -5.789 899 HG1 THR 113 1HG THR 113 1.053 3.177 -6.337 900 HG21 THR 113 3HG2 THR 113 2.414 0.365 -8.096 901 HG22 THR 113 1HG2 THR 113 3.139 1.978 -8.076 902 HG23 THR 113 2HG2 THR 113 1.397 1.799 -8.298 903 H MET 114 H MET 114 1.561 -1.182 -7.425 904 HA MET 114 HA MET 114 2.395 -3.096 -5.335 905 HB2 MET 114 2HB MET 114 1.166 -3.993 -7.954 906 HB3 MET 114 1HB MET 114 1.498 -4.952 -6.544 907 HG2 MET 114 2HG MET 114 -0.305 -3.675 -5.355 908 HG3 MET 114 1HG MET 114 -0.709 -2.929 -6.902 909 HE1 MET 114 3HE MET 114 -0.274 -5.411 -8.965 910 HE2 MET 114 1HE MET 114 -1.665 -4.330 -9.007 911 HE3 MET 114 2HE MET 114 -1.909 -6.076 -8.982
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