NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574239 | 2m3a | 18951 | 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 H GLY 1 6.457 -18.246 19.947 2 HA2 GLY 1 1HA GLY 1 7.729 -18.568 18.041 3 HA3 GLY 1 2HA GLY 1 6.252 -18.940 17.163 4 HA PRO 2 HA PRO 2 6.216 -15.010 15.233 5 HB2 PRO 2 1HB PRO 2 3.643 -14.173 15.450 6 HB3 PRO 2 2HB PRO 2 4.136 -15.496 14.387 7 HG2 PRO 2 1HG PRO 2 2.910 -15.614 17.116 8 HG3 PRO 2 2HG PRO 2 2.541 -16.587 15.681 9 HD2 PRO 2 1HD PRO 2 4.095 -17.502 17.700 10 HD3 PRO 2 2HD PRO 2 4.343 -17.986 16.010 11 H LEU 3 H LEU 3 5.251 -12.647 15.539 12 HA LEU 3 HA LEU 3 6.300 -11.726 18.071 13 HB2 LEU 3 1HB LEU 3 5.900 -10.643 15.441 14 HB3 LEU 3 2HB LEU 3 5.210 -9.563 16.651 15 HG LEU 3 HG LEU 3 7.502 -9.751 17.814 16 HD11 LEU 3 1HD1 LEU 3 9.356 -10.132 16.189 17 HD12 LEU 3 2HD1 LEU 3 8.164 -10.776 15.061 18 HD13 LEU 3 3HD1 LEU 3 8.441 -11.582 16.605 19 HD21 LEU 3 3HD2 LEU 3 6.438 -8.009 15.903 20 HD22 LEU 3 1HD2 LEU 3 8.111 -8.284 15.417 21 HD23 LEU 3 2HD2 LEU 3 7.750 -7.686 17.037 22 H GLY 4 H GLY 4 5.068 -9.842 19.141 23 HA2 GLY 4 1HA GLY 4 2.481 -10.876 19.910 24 HA3 GLY 4 2HA GLY 4 3.308 -9.495 20.616 25 H SER 5 H SER 5 1.915 -10.385 17.453 26 HA SER 5 HA SER 5 -0.073 -8.399 17.493 27 HB2 SER 5 1HB SER 5 2.571 -7.506 16.663 28 HB3 SER 5 2HB SER 5 1.369 -7.269 15.395 29 HG SER 5 HG SER 5 0.738 -5.610 16.499 30 H VAL 6 H VAL 6 -1.467 -9.760 16.529 31 HA VAL 6 HA VAL 6 -0.693 -11.294 14.194 32 HB VAL 6 HB VAL 6 -3.399 -11.092 15.523 33 HG11 VAL 6 1HG1 VAL 6 -2.265 -12.961 13.454 34 HG12 VAL 6 2HG1 VAL 6 -3.720 -13.321 14.384 35 HG13 VAL 6 3HG1 VAL 6 -3.679 -11.916 13.319 36 HG21 VAL 6 3HG2 VAL 6 -1.311 -13.240 15.866 37 HG22 VAL 6 1HG2 VAL 6 -1.578 -11.925 17.011 38 HG23 VAL 6 2HG2 VAL 6 -2.855 -13.103 16.707 39 H ALA 7 H ALA 7 -1.323 -10.942 12.122 40 HA ALA 7 HA ALA 7 -3.429 -9.220 11.345 41 HB1 ALA 7 3HB ALA 7 -0.770 -8.016 11.695 42 HB2 ALA 7 1HB ALA 7 -1.565 -7.659 10.161 43 HB3 ALA 7 2HB ALA 7 -2.366 -7.266 11.683 44 H LYS 8 H LYS 8 -3.878 -11.021 10.044 45 HA LYS 8 HA LYS 8 -3.864 -12.265 8.140 46 HB2 LYS 8 1HB LYS 8 -1.975 -10.214 6.993 47 HB3 LYS 8 2HB LYS 8 -3.120 -11.231 6.129 48 HG2 LYS 8 1HG LYS 8 -4.749 -9.851 7.837 49 HG3 LYS 8 2HG LYS 8 -3.512 -8.656 7.441 50 HD2 LYS 8 1HD LYS 8 -5.225 -8.412 5.821 51 HD3 LYS 8 2HD LYS 8 -3.893 -9.243 5.015 52 HE2 LYS 8 1HE LYS 8 -5.242 -10.927 4.495 53 HE3 LYS 8 2HE LYS 8 -5.586 -11.197 6.203 54 HZ1 LYS 8 3HZ LYS 8 -7.140 -9.094 5.700 55 HZ2 LYS 8 1HZ LYS 8 -7.665 -10.696 5.563 56 HZ3 LYS 8 2HZ LYS 8 -7.173 -9.847 4.186 57 H LYS 9 H LYS 9 -2.022 -12.934 6.275 58 HA LYS 9 HA LYS 9 -0.012 -14.324 7.887 59 HB2 LYS 9 1HB LYS 9 -1.261 -14.826 5.209 60 HB3 LYS 9 2HB LYS 9 0.292 -15.555 5.597 61 HG2 LYS 9 1HG LYS 9 -0.764 -16.547 7.627 62 HG3 LYS 9 2HG LYS 9 -2.317 -15.945 7.044 63 HD2 LYS 9 1HD LYS 9 -2.316 -17.375 5.202 64 HD3 LYS 9 2HD LYS 9 -0.576 -17.653 5.300 65 HE2 LYS 9 1HE LYS 9 -0.804 -19.063 7.172 66 HE3 LYS 9 2HE LYS 9 -2.460 -18.536 7.468 67 HZ1 LYS 9 3HZ LYS 9 -1.997 -19.740 4.876 68 HZ2 LYS 9 1HZ LYS 9 -3.272 -19.967 5.965 69 HZ3 LYS 9 2HZ LYS 9 -1.811 -20.789 6.190 70 H ILE 10 H ILE 10 0.180 -11.479 7.045 71 HA ILE 10 HA ILE 10 2.803 -11.683 5.736 72 HB ILE 10 HB ILE 10 0.708 -9.608 5.079 73 HG12 ILE 10 1HG1 ILE 10 1.688 -11.038 2.808 74 HG13 ILE 10 2HG1 ILE 10 1.182 -12.208 4.021 75 HG21 ILE 10 1HG2 ILE 10 3.612 -9.786 4.571 76 HG22 ILE 10 2HG2 ILE 10 2.606 -9.258 3.223 77 HG23 ILE 10 3HG2 ILE 10 2.573 -8.372 4.747 78 HD11 ILE 10 3HD1 ILE 10 -0.656 -9.961 3.461 79 HD12 ILE 10 1HD1 ILE 10 -0.480 -11.202 2.221 80 HD13 ILE 10 2HD1 ILE 10 -1.003 -11.646 3.846 81 H THR 11 H THR 11 4.158 -11.119 7.319 82 HA THR 11 HA THR 11 3.459 -9.230 9.361 83 HB THR 11 HB THR 11 6.270 -10.155 8.851 84 HG1 THR 11 HG1 THR 11 4.346 -11.671 10.294 85 HG21 THR 11 3HG2 THR 11 4.727 -8.996 11.066 86 HG22 THR 11 1HG2 THR 11 6.455 -8.919 10.727 87 HG23 THR 11 2HG2 THR 11 5.774 -10.338 11.523 88 H TRP 12 H TRP 12 3.119 -7.221 8.491 89 HA TRP 12 HA TRP 12 4.742 -6.006 6.532 90 HB2 TRP 12 1HB TRP 12 2.836 -4.849 8.569 91 HB3 TRP 12 2HB TRP 12 3.648 -3.871 7.350 92 HD1 TRP 12 HD1 TRP 12 0.727 -6.201 7.831 93 HE1 TRP 12 HE1 TRP 12 -0.600 -6.380 5.633 94 HE3 TRP 12 HE3 TRP 12 4.013 -3.840 4.706 95 HZ2 TRP 12 HZ2 TRP 12 -0.293 -5.621 2.931 96 HZ3 TRP 12 HZ3 TRP 12 3.420 -3.609 2.329 97 HH2 TRP 12 HH2 TRP 12 1.312 -4.482 1.462 98 H ARG 13 H ARG 13 6.847 -5.643 6.808 99 HA ARG 13 HA ARG 13 7.799 -4.711 9.425 100 HB2 ARG 13 1HB ARG 13 9.239 -5.970 7.090 101 HB3 ARG 13 2HB ARG 13 10.073 -5.278 8.474 102 HG2 ARG 13 1HG ARG 13 9.271 -6.914 9.929 103 HG3 ARG 13 2HG ARG 13 7.987 -7.399 8.819 104 HD2 ARG 13 1HD ARG 13 9.800 -8.159 7.241 105 HD3 ARG 13 2HD ARG 13 10.944 -7.899 8.557 106 HE ARG 13 HE ARG 13 9.095 -10.075 8.275 107 HH11 ARG 13 1HH1 ARG 13 10.923 -8.161 10.537 108 HH12 ARG 13 2HH1 ARG 13 10.960 -9.395 11.752 109 HH21 ARG 13 1HH2 ARG 13 9.137 -11.708 9.867 110 HH22 ARG 13 2HH2 ARG 13 9.944 -11.413 11.370 111 H LYS 14 H LYS 14 9.617 -3.113 9.358 112 HA LYS 14 HA LYS 14 8.808 -0.741 8.129 113 HB2 LYS 14 1HB LYS 14 11.027 0.139 8.803 114 HB3 LYS 14 2HB LYS 14 10.202 -0.711 10.104 115 HG2 LYS 14 1HG LYS 14 11.622 -2.744 9.155 116 HG3 LYS 14 2HG LYS 14 12.670 -1.423 8.630 117 HD2 LYS 14 1HD LYS 14 11.867 -0.901 11.305 118 HD3 LYS 14 2HD LYS 14 12.422 -2.575 11.219 119 HE2 LYS 14 1HE LYS 14 14.472 -1.732 10.045 120 HE3 LYS 14 2HE LYS 14 13.928 -0.094 10.405 121 HZ1 LYS 14 3HZ LYS 14 14.112 -1.998 12.620 122 HZ2 LYS 14 1HZ LYS 14 14.379 -0.327 12.607 123 HZ3 LYS 14 2HZ LYS 14 15.555 -1.376 11.993 124 H GLN 15 H GLN 15 11.224 -3.126 7.152 125 HA GLN 15 HA GLN 15 12.327 -1.704 5.002 126 HB2 GLN 15 1HB GLN 15 13.455 -3.649 5.820 127 HB3 GLN 15 2HB GLN 15 12.056 -4.666 5.507 128 HG2 GLN 15 1HG GLN 15 12.402 -4.647 3.205 129 HG3 GLN 15 2HG GLN 15 13.455 -3.235 3.283 130 HE21 GLN 15 2HE2 GLN 15 13.234 -6.658 3.554 131 HE22 GLN 15 1HE2 GLN 15 14.923 -6.973 3.728 132 H ASP 16 H ASP 16 9.466 -3.732 5.238 133 HA ASP 16 HA ASP 16 8.958 -3.704 2.406 134 HB2 ASP 16 1HB ASP 16 8.070 -5.229 4.570 135 HB3 ASP 16 2HB ASP 16 6.646 -4.336 4.043 136 H LEU 17 H LEU 17 8.078 -1.775 5.160 137 HA LEU 17 HA LEU 17 5.889 -0.435 3.873 138 HB2 LEU 17 1HB LEU 17 7.263 -0.320 6.468 139 HB3 LEU 17 2HB LEU 17 6.601 1.214 5.909 140 HG LEU 17 HG LEU 17 5.039 0.090 7.387 141 HD11 LEU 17 1HD1 LEU 17 3.322 0.848 6.195 142 HD12 LEU 17 2HD1 LEU 17 3.548 -0.378 4.948 143 HD13 LEU 17 3HD1 LEU 17 4.470 1.124 4.885 144 HD21 LEU 17 3HD2 LEU 17 5.297 -2.172 5.419 145 HD22 LEU 17 1HD2 LEU 17 3.961 -2.035 6.562 146 HD23 LEU 17 2HD2 LEU 17 5.615 -2.195 7.154 147 H ASP 18 H ASP 18 9.309 0.206 4.403 148 HA ASP 18 HA ASP 18 9.431 2.875 3.648 149 HB2 ASP 18 1HB ASP 18 11.288 1.305 4.545 150 HB3 ASP 18 2HB ASP 18 11.565 0.914 2.850 151 H ARG 19 H ARG 19 9.471 -0.036 1.640 152 HA ARG 19 HA ARG 19 9.914 1.312 -0.816 153 HB2 ARG 19 1HB ARG 19 10.281 -1.149 -0.358 154 HB3 ARG 19 2HB ARG 19 8.536 -1.348 -0.454 155 HG2 ARG 19 1HG ARG 19 8.613 -0.432 -2.760 156 HG3 ARG 19 2HG ARG 19 10.374 -0.415 -2.645 157 HD2 ARG 19 1HD ARG 19 9.103 -2.964 -1.926 158 HD3 ARG 19 2HD ARG 19 8.910 -2.486 -3.611 159 HE ARG 19 HE ARG 19 11.609 -2.216 -2.767 160 HH11 ARG 19 1HH1 ARG 19 9.227 -4.563 -3.737 161 HH12 ARG 19 2HH1 ARG 19 10.396 -5.697 -4.329 162 HH21 ARG 19 1HH2 ARG 19 13.157 -3.700 -3.543 163 HH22 ARG 19 2HH2 ARG 19 12.631 -5.206 -4.217 164 H LEU 20 H LEU 20 6.962 -0.036 0.654 165 HA LEU 20 HA LEU 20 5.138 0.667 -1.293 166 HB2 LEU 20 1HB LEU 20 4.466 -0.713 0.525 167 HB3 LEU 20 2HB LEU 20 4.851 0.544 1.699 168 HG LEU 20 HG LEU 20 2.972 1.892 0.803 169 HD11 LEU 20 1HD1 LEU 20 1.521 1.137 -0.823 170 HD12 LEU 20 2HD1 LEU 20 1.999 -0.548 -0.620 171 HD13 LEU 20 3HD1 LEU 20 3.079 0.582 -1.438 172 HD21 LEU 20 3HD2 LEU 20 2.700 -0.723 2.141 173 HD22 LEU 20 1HD2 LEU 20 1.212 -0.012 1.517 174 HD23 LEU 20 2HD2 LEU 20 2.201 0.884 2.670 175 H LYS 21 H LYS 21 6.383 2.632 1.374 176 HA LYS 21 HA LYS 21 4.743 4.864 1.064 177 HB2 LYS 21 1HB LYS 21 6.234 4.549 2.983 178 HB3 LYS 21 2HB LYS 21 7.635 4.760 1.941 179 HG2 LYS 21 1HG LYS 21 6.966 7.056 1.484 180 HG3 LYS 21 2HG LYS 21 5.539 6.848 2.502 181 HD2 LYS 21 1HD LYS 21 6.832 6.666 4.459 182 HD3 LYS 21 2HD LYS 21 8.320 6.396 3.549 183 HE2 LYS 21 1HE LYS 21 6.947 8.930 2.973 184 HE3 LYS 21 2HE LYS 21 7.570 8.779 4.615 185 HZ1 LYS 21 3HZ LYS 21 9.158 8.390 2.135 186 HZ2 LYS 21 1HZ LYS 21 9.748 8.285 3.717 187 HZ3 LYS 21 2HZ LYS 21 9.196 9.767 3.117 188 H ARG 22 H ARG 22 7.629 3.888 -0.678 189 HA ARG 22 HA ARG 22 8.038 6.346 -2.039 190 HB2 ARG 22 1HB ARG 22 9.364 3.884 -1.844 191 HB3 ARG 22 2HB ARG 22 8.948 4.051 -3.544 192 HG2 ARG 22 1HG ARG 22 10.068 6.208 -3.626 193 HG3 ARG 22 2HG ARG 22 10.454 6.081 -1.908 194 HD2 ARG 22 1HD ARG 22 12.341 5.056 -2.481 195 HD3 ARG 22 2HD ARG 22 11.367 3.701 -3.050 196 HE ARG 22 HE ARG 22 11.467 5.633 -5.072 197 HH11 ARG 22 1HH1 ARG 22 13.570 3.402 -3.423 198 HH12 ARG 22 2HH1 ARG 22 14.633 3.201 -4.776 199 HH21 ARG 22 1HH2 ARG 22 12.859 5.377 -6.861 200 HH22 ARG 22 2HH2 ARG 22 14.228 4.325 -6.731 201 H VAL 23 H VAL 23 5.935 3.640 -2.545 202 HA VAL 23 HA VAL 23 5.360 4.277 -5.301 203 HB VAL 23 HB VAL 23 3.805 2.446 -3.474 204 HG11 VAL 23 1HG1 VAL 23 3.163 1.357 -5.592 205 HG12 VAL 23 2HG1 VAL 23 2.623 3.035 -5.503 206 HG13 VAL 23 3HG1 VAL 23 4.031 2.610 -6.477 207 HG21 VAL 23 3HG2 VAL 23 6.144 1.782 -5.261 208 HG22 VAL 23 1HG2 VAL 23 6.162 1.799 -3.498 209 HG23 VAL 23 2HG2 VAL 23 5.169 0.622 -4.358 210 H ILE 24 H ILE 24 3.838 4.759 -2.156 211 HA ILE 24 HA ILE 24 1.375 5.760 -3.091 212 HB ILE 24 HB ILE 24 2.787 6.368 -0.491 213 HG12 ILE 24 1HG1 ILE 24 0.677 4.298 -1.138 214 HG13 ILE 24 2HG1 ILE 24 2.386 3.958 -0.888 215 HG21 ILE 24 1HG2 ILE 24 -0.112 6.687 -1.258 216 HG22 ILE 24 2HG2 ILE 24 0.565 6.953 0.347 217 HG23 ILE 24 3HG2 ILE 24 1.042 7.994 -0.994 218 HD11 ILE 24 3HD1 ILE 24 0.260 4.529 1.061 219 HD12 ILE 24 1HD1 ILE 24 1.684 3.498 1.195 220 HD13 ILE 24 2HD1 ILE 24 1.836 5.244 1.399 221 H ALA 25 H ALA 25 4.512 7.197 -2.766 222 HA ALA 25 HA ALA 25 3.568 9.918 -2.903 223 HB1 ALA 25 3HB ALA 25 6.197 10.115 -3.481 224 HB2 ALA 25 1HB ALA 25 5.551 10.022 -1.842 225 HB3 ALA 25 2HB ALA 25 6.170 8.570 -2.631 226 H LEU 26 H LEU 26 4.508 7.440 -5.135 227 HA LEU 26 HA LEU 26 4.824 9.297 -7.346 228 HB2 LEU 26 1HB LEU 26 5.516 6.547 -6.792 229 HB3 LEU 26 2HB LEU 26 4.721 6.702 -8.358 230 HG LEU 26 HG LEU 26 6.428 8.454 -8.938 231 HD11 LEU 26 1HD1 LEU 26 8.493 7.647 -7.205 232 HD12 LEU 26 2HD1 LEU 26 7.113 8.068 -6.191 233 HD13 LEU 26 3HD1 LEU 26 7.750 9.241 -7.344 234 HD21 LEU 26 3HD2 LEU 26 8.327 6.628 -8.997 235 HD22 LEU 26 1HD2 LEU 26 6.880 6.477 -9.994 236 HD23 LEU 26 2HD2 LEU 26 7.011 5.571 -8.486 237 H LYS 27 H LYS 27 2.741 6.485 -6.650 238 HA LYS 27 HA LYS 27 0.940 7.028 -8.776 239 HB2 LYS 27 1HB LYS 27 0.404 5.402 -6.287 240 HB3 LYS 27 2HB LYS 27 -0.440 5.288 -7.826 241 HG2 LYS 27 1HG LYS 27 2.456 4.602 -7.362 242 HG3 LYS 27 2HG LYS 27 1.129 3.447 -7.509 243 HD2 LYS 27 1HD LYS 27 1.553 3.413 -9.698 244 HD3 LYS 27 2HD LYS 27 0.892 5.049 -9.762 245 HE2 LYS 27 1HE LYS 27 2.951 6.022 -9.880 246 HE3 LYS 27 2HE LYS 27 3.729 4.744 -8.949 247 HZ1 LYS 27 3HZ LYS 27 3.176 4.877 -11.820 248 HZ2 LYS 27 1HZ LYS 27 3.145 3.357 -11.078 249 HZ3 LYS 27 2HZ LYS 27 4.546 4.303 -11.011 250 H LYS 28 H LYS 28 0.792 7.614 -5.277 251 HA LYS 28 HA LYS 28 -0.522 8.970 -4.008 252 HB2 LYS 28 1HB LYS 28 -0.158 10.451 -6.559 253 HB3 LYS 28 2HB LYS 28 -1.399 11.044 -5.463 254 HG2 LYS 28 1HG LYS 28 0.526 10.853 -3.689 255 HG3 LYS 28 2HG LYS 28 1.554 10.959 -5.121 256 HD2 LYS 28 1HD LYS 28 1.335 13.182 -4.575 257 HD3 LYS 28 2HD LYS 28 -0.004 12.986 -5.708 258 HE2 LYS 28 1HE LYS 28 -1.580 12.807 -3.922 259 HE3 LYS 28 2HE LYS 28 -0.292 12.721 -2.721 260 HZ1 LYS 28 3HZ LYS 28 -0.228 14.920 -2.608 261 HZ2 LYS 28 1HZ LYS 28 -1.595 14.985 -3.603 262 HZ3 LYS 28 2HZ LYS 28 -0.050 15.074 -4.283 263 HA PRO 29 HA PRO 29 -4.369 7.027 -5.739 264 HB2 PRO 29 1HB PRO 29 -4.977 5.659 -3.474 265 HB3 PRO 29 2HB PRO 29 -3.901 5.020 -4.723 266 HG2 PRO 29 1HG PRO 29 -3.214 6.344 -2.128 267 HG3 PRO 29 2HG PRO 29 -2.490 4.910 -2.878 268 HD2 PRO 29 1HD PRO 29 -1.337 7.356 -3.001 269 HD3 PRO 29 2HD PRO 29 -1.181 6.160 -4.304 270 H SER 30 H SER 30 -6.598 7.087 -4.737 271 HA SER 30 HA SER 30 -6.878 9.374 -2.903 272 HB2 SER 30 1HB SER 30 -8.674 8.817 -5.275 273 HB3 SER 30 2HB SER 30 -8.761 10.200 -4.185 274 HG SER 30 HG SER 30 -7.450 11.117 -5.536 275 H ALA 31 H ALA 31 -6.859 6.865 -1.900 276 HA ALA 31 HA ALA 31 -8.033 5.345 -0.673 277 HB1 ALA 31 3HB ALA 31 -10.198 7.425 -0.523 278 HB2 ALA 31 1HB ALA 31 -9.775 6.197 0.670 279 HB3 ALA 31 2HB ALA 31 -8.687 7.555 0.377 280 H SER 32 H SER 32 -8.289 4.011 -2.588 281 HA SER 32 HA SER 32 -10.983 3.216 -2.985 282 HB2 SER 32 1HB SER 32 -10.404 5.335 -4.563 283 HB3 SER 32 2HB SER 32 -9.866 4.020 -5.608 284 HG SER 32 HG SER 32 -11.962 4.152 -6.083 285 H ASP 33 H ASP 33 -11.091 1.149 -3.714 286 HA ASP 33 HA ASP 33 -8.827 -0.467 -3.678 287 HB2 ASP 33 1HB ASP 33 -11.615 -0.870 -4.722 288 HB3 ASP 33 2HB ASP 33 -10.394 -2.123 -4.928 289 H ALA 34 H ALA 34 -10.671 0.717 -6.482 290 HA ALA 34 HA ALA 34 -9.203 -0.479 -8.502 291 HB1 ALA 34 3HB ALA 34 -9.988 1.384 -9.939 292 HB2 ALA 34 1HB ALA 34 -11.270 0.651 -8.975 293 HB3 ALA 34 2HB ALA 34 -10.581 2.202 -8.493 294 H ASP 35 H ASP 35 -8.615 2.603 -6.851 295 HA ASP 35 HA ASP 35 -6.348 3.308 -8.415 296 HB2 ASP 35 1HB ASP 35 -7.890 4.490 -6.343 297 HB3 ASP 35 2HB ASP 35 -6.208 4.497 -5.817 298 H TRP 36 H TRP 36 -6.746 1.757 -5.255 299 HA TRP 36 HA TRP 36 -4.024 1.593 -4.590 300 HB2 TRP 36 1HB TRP 36 -6.523 0.275 -3.688 301 HB3 TRP 36 2HB TRP 36 -5.020 -0.568 -3.323 302 HD1 TRP 36 HD1 TRP 36 -7.200 2.173 -2.084 303 HE1 TRP 36 HE1 TRP 36 -6.063 3.402 -0.129 304 HE3 TRP 36 HE3 TRP 36 -2.490 0.239 -2.540 305 HZ2 TRP 36 HZ2 TRP 36 -3.507 3.534 1.062 306 HZ3 TRP 36 HZ3 TRP 36 -0.757 0.969 -0.954 307 HH2 TRP 36 HH2 TRP 36 -1.257 2.582 0.809 308 H THR 37 H THR 37 -5.976 -0.251 -6.771 309 HA THR 37 HA THR 37 -4.597 -2.655 -6.909 310 HB THR 37 HB THR 37 -5.829 -1.180 -9.244 311 HG1 THR 37 HG1 THR 37 -7.738 -2.028 -8.600 312 HG21 THR 37 3HG2 THR 37 -4.818 -3.945 -8.828 313 HG22 THR 37 1HG2 THR 37 -4.791 -2.938 -10.275 314 HG23 THR 37 2HG2 THR 37 -6.284 -3.741 -9.787 315 H GLU 38 H GLU 38 -3.687 0.494 -8.044 316 HA GLU 38 HA GLU 38 -1.650 -0.422 -9.847 317 HB2 GLU 38 1HB GLU 38 -2.943 1.872 -9.752 318 HB3 GLU 38 2HB GLU 38 -1.635 2.326 -8.669 319 HG2 GLU 38 1HG GLU 38 -0.620 2.966 -10.555 320 HG3 GLU 38 2HG GLU 38 -0.232 1.253 -10.708 321 H VAL 39 H VAL 39 -1.502 1.336 -6.744 322 HA VAL 39 HA VAL 39 1.244 1.117 -6.349 323 HB VAL 39 HB VAL 39 -0.916 1.201 -4.236 324 HG11 VAL 39 1HG1 VAL 39 1.931 0.948 -4.036 325 HG12 VAL 39 2HG1 VAL 39 1.422 2.502 -3.374 326 HG13 VAL 39 3HG1 VAL 39 0.724 1.006 -2.752 327 HG21 VAL 39 3HG2 VAL 39 -0.758 3.553 -4.294 328 HG22 VAL 39 1HG2 VAL 39 0.691 3.510 -5.299 329 HG23 VAL 39 2HG2 VAL 39 -0.869 3.048 -5.980 330 H LEU 40 H LEU 40 -1.364 -1.090 -5.439 331 HA LEU 40 HA LEU 40 0.310 -2.891 -3.999 332 HB2 LEU 40 1HB LEU 40 -1.948 -2.973 -3.423 333 HB3 LEU 40 2HB LEU 40 -2.470 -3.026 -5.106 334 HG LEU 40 HG LEU 40 -1.489 -5.349 -5.215 335 HD11 LEU 40 1HD1 LEU 40 -0.961 -6.515 -3.236 336 HD12 LEU 40 2HD1 LEU 40 -1.560 -5.209 -2.214 337 HD13 LEU 40 3HD1 LEU 40 -0.079 -4.990 -3.145 338 HD21 LEU 40 3HD2 LEU 40 -3.524 -6.188 -4.753 339 HD22 LEU 40 1HD2 LEU 40 -3.961 -4.494 -4.524 340 HD23 LEU 40 2HD2 LEU 40 -3.558 -5.497 -3.130 341 H ARG 41 H ARG 41 -0.301 -2.361 -7.322 342 HA ARG 41 HA ARG 41 0.113 -4.941 -8.357 343 HB2 ARG 41 1HB ARG 41 -0.509 -2.517 -9.432 344 HB3 ARG 41 2HB ARG 41 1.157 -2.701 -9.962 345 HG2 ARG 41 1HG ARG 41 0.353 -5.072 -10.704 346 HG3 ARG 41 2HG ARG 41 -1.243 -4.321 -10.656 347 HD2 ARG 41 1HD ARG 41 -0.528 -2.615 -12.212 348 HD3 ARG 41 2HD ARG 41 1.119 -3.245 -12.190 349 HE ARG 41 HE ARG 41 -0.389 -5.361 -13.000 350 HH11 ARG 41 1HH1 ARG 41 0.007 -2.081 -14.099 351 HH12 ARG 41 2HH1 ARG 41 -0.323 -2.459 -15.757 352 HH21 ARG 41 1HH2 ARG 41 -0.827 -5.871 -15.180 353 HH22 ARG 41 2HH2 ARG 41 -0.798 -4.615 -16.371 354 H LEU 42 H LEU 42 2.309 -2.538 -7.144 355 HA LEU 42 HA LEU 42 4.651 -3.809 -8.274 356 HB2 LEU 42 1HB LEU 42 4.449 -1.609 -6.223 357 HB3 LEU 42 2HB LEU 42 5.907 -2.103 -7.082 358 HG LEU 42 HG LEU 42 3.473 -0.907 -8.404 359 HD11 LEU 42 1HD1 LEU 42 4.178 1.095 -7.774 360 HD12 LEU 42 2HD1 LEU 42 5.744 0.787 -8.523 361 HD13 LEU 42 3HD1 LEU 42 5.473 0.353 -6.835 362 HD21 LEU 42 3HD2 LEU 42 5.074 -0.574 -10.280 363 HD22 LEU 42 1HD2 LEU 42 4.730 -2.267 -9.926 364 HD23 LEU 42 2HD2 LEU 42 6.248 -1.546 -9.392 365 H LEU 43 H LEU 43 3.466 -3.177 -4.968 366 HA LEU 43 HA LEU 43 5.370 -4.834 -3.701 367 HB2 LEU 43 1HB LEU 43 3.415 -3.053 -2.898 368 HB3 LEU 43 2HB LEU 43 2.842 -4.602 -2.284 369 HG LEU 43 HG LEU 43 5.458 -3.246 -1.646 370 HD11 LEU 43 1HD1 LEU 43 3.513 -2.340 -0.482 371 HD12 LEU 43 2HD1 LEU 43 4.577 -3.205 0.626 372 HD13 LEU 43 3HD1 LEU 43 3.084 -3.959 0.070 373 HD21 LEU 43 3HD2 LEU 43 5.550 -5.246 0.012 374 HD22 LEU 43 1HD2 LEU 43 6.088 -5.467 -1.653 375 HD23 LEU 43 2HD2 LEU 43 4.491 -6.032 -1.161 376 H ALA 44 H ALA 44 2.621 -5.576 -5.529 377 HA ALA 44 HA ALA 44 1.550 -7.827 -4.340 378 HB1 ALA 44 3HB ALA 44 0.325 -7.393 -6.172 379 HB2 ALA 44 1HB ALA 44 1.708 -6.772 -7.075 380 HB3 ALA 44 2HB ALA 44 1.437 -8.512 -6.962 381 H LYS 45 H LYS 45 4.614 -7.433 -5.932 382 HA LYS 45 HA LYS 45 5.236 -10.060 -6.594 383 HB2 LYS 45 1HB LYS 45 6.895 -7.693 -5.790 384 HB3 LYS 45 2HB LYS 45 7.658 -9.257 -6.047 385 HG2 LYS 45 1HG LYS 45 6.801 -9.313 -8.327 386 HG3 LYS 45 2HG LYS 45 6.010 -7.755 -8.072 387 HD2 LYS 45 1HD LYS 45 8.982 -8.239 -7.868 388 HD3 LYS 45 2HD LYS 45 8.162 -7.563 -9.278 389 HE2 LYS 45 1HE LYS 45 7.285 -5.756 -7.757 390 HE3 LYS 45 2HE LYS 45 8.377 -6.375 -6.519 391 HZ1 LYS 45 3HZ LYS 45 10.214 -6.016 -8.142 392 HZ2 LYS 45 1HZ LYS 45 9.463 -4.594 -7.615 393 HZ3 LYS 45 2HZ LYS 45 9.113 -5.217 -9.148 394 H GLU 46 H GLU 46 5.006 -8.544 -3.498 395 HA GLU 46 HA GLU 46 6.395 -10.749 -2.176 396 HB2 GLU 46 1HB GLU 46 5.212 -8.206 -1.046 397 HB3 GLU 46 2HB GLU 46 6.100 -9.408 -0.120 398 HG2 GLU 46 1HG GLU 46 7.241 -7.869 -2.439 399 HG3 GLU 46 2HG GLU 46 7.436 -7.419 -0.746 400 H GLY 47 H GLY 47 3.756 -11.014 -3.539 401 HA2 GLY 47 1HA GLY 47 1.710 -11.996 -3.178 402 HA3 GLY 47 2HA GLY 47 2.517 -12.811 -1.846 403 H VAL 48 H VAL 48 1.615 -9.407 -2.375 404 HA VAL 48 HA VAL 48 0.711 -9.145 0.333 405 HB VAL 48 HB VAL 48 0.428 -7.241 -1.996 406 HG11 VAL 48 1HG1 VAL 48 0.298 -5.614 0.068 407 HG12 VAL 48 2HG1 VAL 48 -1.145 -6.429 -0.540 408 HG13 VAL 48 3HG1 VAL 48 -0.311 -7.055 0.882 409 HG21 VAL 48 3HG2 VAL 48 2.341 -6.088 -1.048 410 HG22 VAL 48 1HG2 VAL 48 2.431 -7.269 0.259 411 HG23 VAL 48 2HG2 VAL 48 2.759 -7.765 -1.401 412 H VAL 49 H VAL 49 -1.375 -8.877 1.091 413 HA VAL 49 HA VAL 49 -3.406 -10.354 -0.176 414 HB VAL 49 HB VAL 49 -4.920 -9.310 1.551 415 HG11 VAL 49 1HG1 VAL 49 -2.745 -11.126 1.863 416 HG12 VAL 49 2HG1 VAL 49 -2.940 -10.205 3.356 417 HG13 VAL 49 3HG1 VAL 49 -4.301 -11.109 2.692 418 HG21 VAL 49 3HG2 VAL 49 -3.161 -7.278 1.606 419 HG22 VAL 49 1HG2 VAL 49 -4.249 -7.658 2.940 420 HG23 VAL 49 2HG2 VAL 49 -2.578 -8.219 2.979 421 H GLU 50 H GLU 50 -5.685 -9.332 -0.446 422 HA GLU 50 HA GLU 50 -5.738 -7.788 -2.717 423 HB2 GLU 50 1HB GLU 50 -8.121 -7.183 -1.952 424 HB3 GLU 50 2HB GLU 50 -7.735 -8.882 -2.189 425 HG2 GLU 50 1HG GLU 50 -7.270 -7.887 0.528 426 HG3 GLU 50 2HG GLU 50 -8.952 -7.859 0.003 427 HA PRO 51 HA PRO 51 -4.959 -3.609 -1.637 428 HB2 PRO 51 1HB PRO 51 -6.673 -2.280 -3.271 429 HB3 PRO 51 2HB PRO 51 -5.221 -3.097 -3.862 430 HG2 PRO 51 1HG PRO 51 -8.063 -4.037 -3.879 431 HG3 PRO 51 2HG PRO 51 -6.837 -4.157 -5.155 432 HD2 PRO 51 1HD PRO 51 -7.465 -6.236 -3.538 433 HD3 PRO 51 2HD PRO 51 -5.832 -5.994 -4.191 434 H GLU 52 H GLU 52 -8.326 -4.652 -1.600 435 HA GLU 52 HA GLU 52 -9.548 -2.494 -0.391 436 HB2 GLU 52 1HB GLU 52 -10.437 -4.874 -1.170 437 HB3 GLU 52 2HB GLU 52 -10.294 -5.222 0.547 438 HG2 GLU 52 1HG GLU 52 -11.827 -3.494 1.108 439 HG3 GLU 52 2HG GLU 52 -11.822 -2.875 -0.543 440 H VAL 53 H VAL 53 -7.544 -4.992 1.046 441 HA VAL 53 HA VAL 53 -8.043 -4.038 3.742 442 HB VAL 53 HB VAL 53 -6.131 -6.157 2.748 443 HG11 VAL 53 1HG1 VAL 53 -6.467 -6.790 5.303 444 HG12 VAL 53 2HG1 VAL 53 -5.207 -5.674 4.774 445 HG13 VAL 53 3HG1 VAL 53 -6.717 -5.050 5.439 446 HG21 VAL 53 3HG2 VAL 53 -8.986 -6.159 3.335 447 HG22 VAL 53 1HG2 VAL 53 -8.006 -7.340 2.466 448 HG23 VAL 53 2HG2 VAL 53 -8.093 -7.390 4.227 449 H VAL 54 H VAL 54 -5.313 -4.192 1.473 450 HA VAL 54 HA VAL 54 -3.330 -3.069 3.025 451 HB VAL 54 HB VAL 54 -3.789 -2.616 0.073 452 HG11 VAL 54 1HG1 VAL 54 -1.632 -1.826 1.919 453 HG12 VAL 54 2HG1 VAL 54 -1.114 -2.545 0.393 454 HG13 VAL 54 3HG1 VAL 54 -2.139 -1.109 0.390 455 HG21 VAL 54 3HG2 VAL 54 -3.215 -4.976 1.483 456 HG22 VAL 54 1HG2 VAL 54 -3.156 -4.719 -0.261 457 HG23 VAL 54 2HG2 VAL 54 -1.707 -4.481 0.715 458 H ARG 55 H ARG 55 -6.050 -1.522 1.482 459 HA ARG 55 HA ARG 55 -5.229 1.126 1.444 460 HB2 ARG 55 1HB ARG 55 -7.301 0.505 0.415 461 HB3 ARG 55 2HB ARG 55 -7.954 -0.070 1.943 462 HG2 ARG 55 1HG ARG 55 -8.523 1.999 2.637 463 HG3 ARG 55 2HG ARG 55 -7.129 2.759 1.866 464 HD2 ARG 55 1HD ARG 55 -8.767 3.561 0.506 465 HD3 ARG 55 2HD ARG 55 -8.437 2.043 -0.329 466 HE ARG 55 HE ARG 55 -10.559 1.393 0.171 467 HH11 ARG 55 1HH1 ARG 55 -9.594 3.838 2.453 468 HH12 ARG 55 2HH1 ARG 55 -11.139 3.902 3.236 469 HH21 ARG 55 1HH2 ARG 55 -12.596 1.467 1.193 470 HH22 ARG 55 2HH2 ARG 55 -12.845 2.552 2.519 471 H GLN 56 H GLN 56 -6.573 -0.770 4.107 472 HA GLN 56 HA GLN 56 -6.502 1.488 5.915 473 HB2 GLN 56 1HB GLN 56 -8.277 -0.253 6.039 474 HB3 GLN 56 2HB GLN 56 -7.053 -1.422 6.514 475 HG2 GLN 56 1HG GLN 56 -8.230 -0.649 8.458 476 HG3 GLN 56 2HG GLN 56 -6.566 -0.070 8.508 477 HE21 GLN 56 2HE2 GLN 56 -6.278 1.993 8.950 478 HE22 GLN 56 1HE2 GLN 56 -7.466 3.239 8.804 479 H ILE 57 H ILE 57 -4.553 -1.298 5.139 480 HA ILE 57 HA ILE 57 -2.953 -1.403 7.439 481 HB ILE 57 HB ILE 57 -2.194 -2.096 4.598 482 HG12 ILE 57 1HG1 ILE 57 -4.172 -3.313 5.456 483 HG13 ILE 57 2HG1 ILE 57 -2.795 -4.378 5.198 484 HG21 ILE 57 1HG2 ILE 57 -0.162 -1.984 5.704 485 HG22 ILE 57 2HG2 ILE 57 -0.845 -2.545 7.229 486 HG23 ILE 57 3HG2 ILE 57 -0.610 -3.678 5.898 487 HD11 ILE 57 3HD1 ILE 57 -3.992 -4.886 7.265 488 HD12 ILE 57 1HD1 ILE 57 -2.329 -4.388 7.572 489 HD13 ILE 57 2HD1 ILE 57 -3.654 -3.259 7.855 490 H ALA 58 H ALA 58 -2.435 0.308 4.361 491 HA ALA 58 HA ALA 58 0.029 1.470 5.019 492 HB1 ALA 58 3HB ALA 58 -2.010 1.833 2.953 493 HB2 ALA 58 1HB ALA 58 -1.089 3.291 3.322 494 HB3 ALA 58 2HB ALA 58 -0.251 1.821 2.825 495 H ILE 59 H ILE 59 -3.136 2.169 6.120 496 HA ILE 59 HA ILE 59 -2.594 4.909 6.853 497 HB ILE 59 HB ILE 59 -4.899 3.110 7.614 498 HG12 ILE 59 1HG1 ILE 59 -4.897 5.381 5.628 499 HG13 ILE 59 2HG1 ILE 59 -4.567 3.717 5.155 500 HG21 ILE 59 1HG2 ILE 59 -5.433 4.669 9.102 501 HG22 ILE 59 2HG2 ILE 59 -4.091 5.689 8.586 502 HG23 ILE 59 3HG2 ILE 59 -5.649 5.802 7.768 503 HD11 ILE 59 3HD1 ILE 59 -6.861 3.367 6.498 504 HD12 ILE 59 1HD1 ILE 59 -7.099 5.010 5.905 505 HD13 ILE 59 2HD1 ILE 59 -6.778 3.699 4.769 506 H THR 60 H THR 60 -2.953 1.808 8.540 507 HA THR 60 HA THR 60 -2.238 3.005 11.083 508 HB THR 60 HB THR 60 -2.671 0.892 12.077 509 HG1 THR 60 HG1 THR 60 -2.159 -0.061 9.495 510 HG21 THR 60 3HG2 THR 60 -4.621 2.203 11.014 511 HG22 THR 60 1HG2 THR 60 -4.914 0.541 11.524 512 HG23 THR 60 2HG2 THR 60 -4.648 0.906 9.819 513 H ARG 61 H ARG 61 -0.528 2.040 8.446 514 HA ARG 61 HA ARG 61 1.793 1.227 10.069 515 HB2 ARG 61 1HB ARG 61 1.087 0.521 7.218 516 HB3 ARG 61 2HB ARG 61 2.646 0.175 7.953 517 HG2 ARG 61 1HG ARG 61 0.028 -0.842 9.029 518 HG3 ARG 61 2HG ARG 61 1.056 -1.743 7.912 519 HD2 ARG 61 1HD ARG 61 2.903 -1.574 9.560 520 HD3 ARG 61 2HD ARG 61 1.785 -0.799 10.682 521 HE ARG 61 HE ARG 61 1.960 -3.594 10.071 522 HH11 ARG 61 1HH1 ARG 61 -0.150 -1.046 11.155 523 HH12 ARG 61 2HH1 ARG 61 -1.220 -2.114 12.001 524 HH21 ARG 61 1HH2 ARG 61 0.558 -5.011 11.181 525 HH22 ARG 61 2HH2 ARG 61 -0.816 -4.369 12.016 526 H LEU 62 H LEU 62 0.878 2.935 7.082 527 HA LEU 62 HA LEU 62 3.372 4.461 7.218 528 HB2 LEU 62 1HB LEU 62 1.608 3.569 5.101 529 HB3 LEU 62 2HB LEU 62 1.955 5.292 4.978 530 HG LEU 62 HG LEU 62 4.023 3.096 5.072 531 HD11 LEU 62 1HD1 LEU 62 4.292 3.342 2.764 532 HD12 LEU 62 2HD1 LEU 62 3.359 4.838 2.722 533 HD13 LEU 62 3HD1 LEU 62 2.544 3.299 2.996 534 HD21 LEU 62 3HD2 LEU 62 4.296 5.751 5.767 535 HD22 LEU 62 1HD2 LEU 62 4.820 5.709 4.083 536 HD23 LEU 62 2HD2 LEU 62 5.595 4.664 5.273 537 H LYS 63 H LYS 63 0.715 4.769 8.802 538 HA LYS 63 HA LYS 63 -0.579 6.453 9.631 539 HB2 LYS 63 1HB LYS 63 1.949 7.954 8.943 540 HB3 LYS 63 2HB LYS 63 0.619 8.671 9.843 541 HG2 LYS 63 1HG LYS 63 0.889 6.770 11.492 542 HG3 LYS 63 2HG LYS 63 2.402 6.399 10.663 543 HD2 LYS 63 1HD LYS 63 3.455 8.236 11.480 544 HD3 LYS 63 2HD LYS 63 1.988 9.217 11.463 545 HE2 LYS 63 1HE LYS 63 1.748 7.066 13.361 546 HE3 LYS 63 2HE LYS 63 3.209 8.002 13.672 547 HZ1 LYS 63 3HZ LYS 63 0.668 9.402 13.197 548 HZ2 LYS 63 1HZ LYS 63 2.014 9.898 14.094 549 HZ3 LYS 63 2HZ LYS 63 0.969 8.723 14.717 550 H TRP 64 H TRP 64 -0.837 5.853 6.780 551 HA TRP 64 HA TRP 64 -1.146 8.255 5.304 552 HB2 TRP 64 1HB TRP 64 -0.899 5.953 4.322 553 HB3 TRP 64 2HB TRP 64 -2.557 5.626 4.819 554 HD1 TRP 64 HD1 TRP 64 -1.000 8.655 2.936 555 HE1 TRP 64 HE1 TRP 64 -2.407 9.069 0.820 556 HE3 TRP 64 HE3 TRP 64 -4.349 4.824 3.426 557 HZ2 TRP 64 HZ2 TRP 64 -4.641 7.924 -0.469 558 HZ3 TRP 64 HZ3 TRP 64 -6.090 4.552 1.708 559 HH2 TRP 64 HH2 TRP 64 -6.232 6.072 -0.198 560 H VAL 65 H VAL 65 -3.164 9.173 4.540 561 HA VAL 65 HA VAL 65 -5.550 8.630 6.110 562 HB VAL 65 HB VAL 65 -5.842 11.047 6.677 563 HG11 VAL 65 1HG1 VAL 65 -3.332 10.145 8.005 564 HG12 VAL 65 2HG1 VAL 65 -4.800 10.826 8.709 565 HG13 VAL 65 3HG1 VAL 65 -4.782 9.152 8.153 566 HG21 VAL 65 3HG2 VAL 65 -4.378 12.141 5.178 567 HG22 VAL 65 1HG2 VAL 65 -3.689 12.378 6.784 568 HG23 VAL 65 2HG2 VAL 65 -3.000 11.172 5.698 569 H GLU 66 H GLU 66 -7.208 8.604 4.753 570 HA GLU 66 HA GLU 66 -7.113 9.234 2.070 571 HB2 GLU 66 1HB GLU 66 -9.665 9.367 2.264 572 HB3 GLU 66 2HB GLU 66 -8.891 7.866 2.753 573 HG2 GLU 66 1HG GLU 66 -9.196 9.783 4.929 574 HG3 GLU 66 2HG GLU 66 -10.722 9.266 4.215 575 HA PRO 67 HA PRO 67 -7.461 13.588 1.654 576 HB2 PRO 67 1HB PRO 67 -9.016 13.806 -0.561 577 HB3 PRO 67 2HB PRO 67 -7.332 13.270 -0.618 578 HG2 PRO 67 1HG PRO 67 -9.842 11.639 -0.664 579 HG3 PRO 67 2HG PRO 67 -8.370 11.455 -1.636 580 HD2 PRO 67 1HD PRO 67 -8.889 9.914 0.529 581 HD3 PRO 67 2HD PRO 67 -7.240 10.369 0.054 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.109 -1.425 18.123 2 HA2 GLY 1 1HA GLY 1 1.996 -1.750 20.859 3 HA3 GLY 1 2HA GLY 1 0.383 -1.294 20.330 4 HA PRO 2 HA PRO 2 0.572 -5.789 21.784 5 HB2 PRO 2 1HB PRO 2 -0.980 -5.494 23.991 6 HB3 PRO 2 2HB PRO 2 0.778 -5.312 24.022 7 HG2 PRO 2 1HG PRO 2 -1.343 -3.202 23.901 8 HG3 PRO 2 2HG PRO 2 0.141 -3.243 24.871 9 HD2 PRO 2 1HD PRO 2 -0.063 -1.818 22.577 10 HD3 PRO 2 2HD PRO 2 1.461 -2.560 23.109 11 H LEU 3 H LEU 3 -1.622 -6.957 22.661 12 HA LEU 3 HA LEU 3 -3.693 -7.700 22.090 13 HB2 LEU 3 1HB LEU 3 -4.292 -4.896 21.188 14 HB3 LEU 3 2HB LEU 3 -5.427 -6.120 21.751 15 HG LEU 3 HG LEU 3 -3.332 -4.920 23.546 16 HD11 LEU 3 1HD1 LEU 3 -5.945 -3.825 22.668 17 HD12 LEU 3 2HD1 LEU 3 -4.463 -2.991 23.137 18 HD13 LEU 3 3HD1 LEU 3 -5.518 -3.675 24.373 19 HD21 LEU 3 3HD2 LEU 3 -4.969 -7.095 23.865 20 HD22 LEU 3 1HD2 LEU 3 -5.894 -5.803 24.632 21 HD23 LEU 3 2HD2 LEU 3 -4.251 -6.151 25.171 22 H GLY 4 H GLY 4 -3.243 -9.051 20.405 23 HA2 GLY 4 1HA GLY 4 -3.158 -7.872 17.706 24 HA3 GLY 4 2HA GLY 4 -2.524 -9.452 18.142 25 H SER 5 H SER 5 -4.414 -8.700 16.026 26 HA SER 5 HA SER 5 -6.822 -10.126 16.931 27 HB2 SER 5 1HB SER 5 -6.417 -8.350 14.512 28 HB3 SER 5 2HB SER 5 -7.926 -9.156 14.940 29 HG SER 5 HG SER 5 -7.426 -6.831 15.650 30 H VAL 6 H VAL 6 -4.137 -10.231 14.742 31 HA VAL 6 HA VAL 6 -3.424 -11.764 13.212 32 HB VAL 6 HB VAL 6 -5.064 -13.675 14.882 33 HG11 VAL 6 1HG1 VAL 6 -4.499 -15.028 13.160 34 HG12 VAL 6 2HG1 VAL 6 -3.144 -14.012 12.662 35 HG13 VAL 6 3HG1 VAL 6 -2.968 -15.113 14.028 36 HG21 VAL 6 3HG2 VAL 6 -2.557 -12.254 15.393 37 HG22 VAL 6 1HG2 VAL 6 -3.658 -13.057 16.514 38 HG23 VAL 6 2HG2 VAL 6 -2.456 -13.998 15.631 39 H ALA 7 H ALA 7 -4.653 -10.787 11.507 40 HA ALA 7 HA ALA 7 -6.806 -12.543 10.543 41 HB1 ALA 7 3HB ALA 7 -7.970 -10.644 11.356 42 HB2 ALA 7 1HB ALA 7 -6.823 -9.534 10.606 43 HB3 ALA 7 2HB ALA 7 -7.915 -10.488 9.601 44 H LYS 8 H LYS 8 -3.896 -12.261 9.949 45 HA LYS 8 HA LYS 8 -4.102 -12.433 7.101 46 HB2 LYS 8 1HB LYS 8 -2.409 -10.631 6.657 47 HB3 LYS 8 2HB LYS 8 -3.989 -10.047 7.163 48 HG2 LYS 8 1HG LYS 8 -2.189 -10.463 9.403 49 HG3 LYS 8 2HG LYS 8 -1.559 -9.311 8.224 50 HD2 LYS 8 1HD LYS 8 -3.173 -7.782 8.661 51 HD3 LYS 8 2HD LYS 8 -4.408 -9.011 8.946 52 HE2 LYS 8 1HE LYS 8 -4.066 -8.009 11.038 53 HE3 LYS 8 2HE LYS 8 -3.159 -9.519 11.111 54 HZ1 LYS 8 3HZ LYS 8 -1.410 -8.304 11.680 55 HZ2 LYS 8 1HZ LYS 8 -2.222 -6.852 11.372 56 HZ3 LYS 8 2HZ LYS 8 -1.402 -7.644 10.123 57 H LYS 9 H LYS 9 -1.963 -12.923 6.097 58 HA LYS 9 HA LYS 9 -0.208 -14.277 8.040 59 HB2 LYS 9 1HB LYS 9 -1.620 -15.347 5.846 60 HB3 LYS 9 2HB LYS 9 0.073 -15.317 5.370 61 HG2 LYS 9 1HG LYS 9 -0.578 -16.380 8.060 62 HG3 LYS 9 2HG LYS 9 -0.997 -17.365 6.657 63 HD2 LYS 9 1HD LYS 9 1.144 -17.884 6.248 64 HD3 LYS 9 2HD LYS 9 1.685 -16.223 6.510 65 HE2 LYS 9 1HE LYS 9 2.293 -16.639 8.626 66 HE3 LYS 9 2HE LYS 9 0.835 -17.576 8.956 67 HZ1 LYS 9 3HZ LYS 9 3.349 -18.518 7.701 68 HZ2 LYS 9 1HZ LYS 9 1.917 -19.416 7.664 69 HZ3 LYS 9 2HZ LYS 9 2.646 -19.050 9.146 70 H ILE 10 H ILE 10 -0.058 -11.518 6.956 71 HA ILE 10 HA ILE 10 2.640 -11.719 5.795 72 HB ILE 10 HB ILE 10 0.551 -9.661 5.071 73 HG12 ILE 10 1HG1 ILE 10 1.755 -11.923 3.460 74 HG13 ILE 10 2HG1 ILE 10 0.100 -11.841 4.054 75 HG21 ILE 10 1HG2 ILE 10 2.793 -9.698 3.315 76 HG22 ILE 10 2HG2 ILE 10 2.200 -8.381 4.325 77 HG23 ILE 10 3HG2 ILE 10 3.371 -9.531 4.973 78 HD11 ILE 10 3HD1 ILE 10 -0.206 -9.795 2.657 79 HD12 ILE 10 1HD1 ILE 10 1.381 -10.113 1.958 80 HD13 ILE 10 2HD1 ILE 10 0.075 -11.282 1.751 81 H THR 11 H THR 11 4.084 -10.918 7.154 82 HA THR 11 HA THR 11 3.288 -9.094 9.261 83 HB THR 11 HB THR 11 6.108 -10.009 8.742 84 HG1 THR 11 HG1 THR 11 4.031 -11.424 10.092 85 HG21 THR 11 3HG2 THR 11 6.552 -9.210 10.793 86 HG22 THR 11 1HG2 THR 11 5.068 -9.874 11.473 87 HG23 THR 11 2HG2 THR 11 5.035 -8.328 10.626 88 H TRP 12 H TRP 12 3.127 -7.002 8.778 89 HA TRP 12 HA TRP 12 4.749 -5.810 6.700 90 HB2 TRP 12 1HB TRP 12 2.603 -4.697 8.512 91 HB3 TRP 12 2HB TRP 12 3.467 -3.725 7.324 92 HD1 TRP 12 HD1 TRP 12 0.576 -6.078 7.672 93 HE1 TRP 12 HE1 TRP 12 -0.520 -6.461 5.375 94 HE3 TRP 12 HE3 TRP 12 4.145 -3.935 4.704 95 HZ2 TRP 12 HZ2 TRP 12 0.053 -5.924 2.663 96 HZ3 TRP 12 HZ3 TRP 12 3.795 -3.912 2.269 97 HH2 TRP 12 HH2 TRP 12 1.791 -4.888 1.271 98 H ARG 13 H ARG 13 6.820 -5.457 7.238 99 HA ARG 13 HA ARG 13 7.475 -4.452 9.901 100 HB2 ARG 13 1HB ARG 13 9.212 -5.424 7.627 101 HB3 ARG 13 2HB ARG 13 9.841 -4.804 9.148 102 HG2 ARG 13 1HG ARG 13 9.229 -6.658 10.321 103 HG3 ARG 13 2HG ARG 13 7.866 -7.014 9.259 104 HD2 ARG 13 1HD ARG 13 10.051 -7.278 7.600 105 HD3 ARG 13 2HD ARG 13 10.626 -7.932 9.134 106 HE ARG 13 HE ARG 13 8.231 -9.136 8.827 107 HH11 ARG 13 1HH1 ARG 13 10.996 -8.781 6.741 108 HH12 ARG 13 2HH1 ARG 13 10.729 -10.281 5.915 109 HH21 ARG 13 1HH2 ARG 13 7.870 -11.112 7.748 110 HH22 ARG 13 2HH2 ARG 13 8.950 -11.605 6.488 111 H LYS 14 H LYS 14 9.071 -2.677 10.075 112 HA LYS 14 HA LYS 14 8.163 -0.355 8.800 113 HB2 LYS 14 1HB LYS 14 10.071 0.762 9.840 114 HB3 LYS 14 2HB LYS 14 9.295 -0.334 10.975 115 HG2 LYS 14 1HG LYS 14 11.077 -2.028 10.290 116 HG3 LYS 14 2HG LYS 14 11.917 -0.659 9.558 117 HD2 LYS 14 1HD LYS 14 12.405 0.296 11.575 118 HD3 LYS 14 2HD LYS 14 10.969 -0.366 12.358 119 HE2 LYS 14 1HE LYS 14 12.804 -2.441 11.498 120 HE3 LYS 14 2HE LYS 14 13.569 -1.298 12.601 121 HZ1 LYS 14 3HZ LYS 14 11.509 -3.255 13.115 122 HZ2 LYS 14 1HZ LYS 14 11.211 -1.739 13.805 123 HZ3 LYS 14 2HZ LYS 14 12.638 -2.568 14.170 124 H GLN 15 H GLN 15 10.875 -2.487 8.086 125 HA GLN 15 HA GLN 15 12.065 -0.839 6.110 126 HB2 GLN 15 1HB GLN 15 13.254 -2.682 7.253 127 HB3 GLN 15 2HB GLN 15 12.226 -3.842 6.423 128 HG2 GLN 15 1HG GLN 15 13.306 -3.601 4.447 129 HG3 GLN 15 2HG GLN 15 13.703 -1.909 4.743 130 HE21 GLN 15 2HE2 GLN 15 14.511 -5.203 5.712 131 HE22 GLN 15 1HE2 GLN 15 16.163 -4.878 6.093 132 H ASP 16 H ASP 16 9.980 -3.717 5.838 133 HA ASP 16 HA ASP 16 9.751 -3.777 3.072 134 HB2 ASP 16 1HB ASP 16 8.042 -4.734 5.327 135 HB3 ASP 16 2HB ASP 16 7.370 -4.757 3.699 136 H LEU 17 H LEU 17 8.202 -1.703 5.400 137 HA LEU 17 HA LEU 17 6.145 -0.747 3.669 138 HB2 LEU 17 1HB LEU 17 7.105 -0.219 6.367 139 HB3 LEU 17 2HB LEU 17 6.563 1.237 5.535 140 HG LEU 17 HG LEU 17 4.766 0.319 6.864 141 HD11 LEU 17 1HD1 LEU 17 4.376 1.317 4.549 142 HD12 LEU 17 2HD1 LEU 17 3.072 0.357 5.248 143 HD13 LEU 17 3HD1 LEU 17 4.114 -0.342 4.009 144 HD21 LEU 17 3HD2 LEU 17 5.534 -2.202 5.482 145 HD22 LEU 17 1HD2 LEU 17 3.842 -1.958 5.916 146 HD23 LEU 17 2HD2 LEU 17 5.086 -1.925 7.167 147 H ASP 18 H ASP 18 9.468 0.095 4.237 148 HA ASP 18 HA ASP 18 9.522 2.707 3.261 149 HB2 ASP 18 1HB ASP 18 11.394 1.012 4.246 150 HB3 ASP 18 2HB ASP 18 11.820 0.992 2.537 151 H ARG 19 H ARG 19 9.243 -0.329 1.597 152 HA ARG 19 HA ARG 19 9.902 0.746 -0.994 153 HB2 ARG 19 1HB ARG 19 10.315 -1.627 -0.405 154 HB3 ARG 19 2HB ARG 19 8.579 -1.876 -0.275 155 HG2 ARG 19 1HG ARG 19 8.372 -2.172 -2.463 156 HG3 ARG 19 2HG ARG 19 9.285 -0.704 -2.817 157 HD2 ARG 19 1HD ARG 19 10.330 -2.749 -3.739 158 HD3 ARG 19 2HD ARG 19 11.369 -1.889 -2.603 159 HE ARG 19 HE ARG 19 11.352 -3.742 -1.278 160 HH11 ARG 19 1HH1 ARG 19 8.593 -3.871 -3.398 161 HH12 ARG 19 2HH1 ARG 19 8.108 -5.452 -2.882 162 HH21 ARG 19 1HH2 ARG 19 10.723 -5.824 -0.591 163 HH22 ARG 19 2HH2 ARG 19 9.319 -6.561 -1.285 164 H LEU 20 H LEU 20 6.957 -0.146 0.751 165 HA LEU 20 HA LEU 20 5.174 0.370 -1.391 166 HB2 LEU 20 1HB LEU 20 4.401 -1.013 0.357 167 HB3 LEU 20 2HB LEU 20 4.823 0.176 1.587 168 HG LEU 20 HG LEU 20 3.004 1.638 0.662 169 HD11 LEU 20 1HD1 LEU 20 1.502 0.896 -0.919 170 HD12 LEU 20 2HD1 LEU 20 1.906 -0.800 -0.665 171 HD13 LEU 20 3HD1 LEU 20 3.021 0.250 -1.538 172 HD21 LEU 20 3HD2 LEU 20 2.120 0.765 2.521 173 HD22 LEU 20 1HD2 LEU 20 2.736 -0.849 2.166 174 HD23 LEU 20 2HD2 LEU 20 1.229 -0.300 1.433 175 H LYS 21 H LYS 21 6.231 2.311 1.385 176 HA LYS 21 HA LYS 21 4.622 4.543 0.980 177 HB2 LYS 21 1HB LYS 21 6.182 5.759 2.341 178 HB3 LYS 21 2HB LYS 21 6.071 4.121 2.972 179 HG2 LYS 21 1HG LYS 21 8.171 3.530 2.005 180 HG3 LYS 21 2HG LYS 21 8.256 5.060 1.129 181 HD2 LYS 21 1HD LYS 21 9.691 5.108 3.098 182 HD3 LYS 21 2HD LYS 21 8.370 6.267 3.259 183 HE2 LYS 21 1HE LYS 21 7.349 5.077 4.923 184 HE3 LYS 21 2HE LYS 21 7.961 3.530 4.340 185 HZ1 LYS 21 3HZ LYS 21 9.153 5.409 6.195 186 HZ2 LYS 21 1HZ LYS 21 10.224 4.736 5.072 187 HZ3 LYS 21 2HZ LYS 21 9.326 3.729 6.093 188 H ARG 22 H ARG 22 7.466 3.484 -0.715 189 HA ARG 22 HA ARG 22 8.049 5.985 -1.967 190 HB2 ARG 22 1HB ARG 22 9.221 3.394 -1.845 191 HB3 ARG 22 2HB ARG 22 8.997 3.802 -3.541 192 HG2 ARG 22 1HG ARG 22 11.123 4.592 -3.057 193 HG3 ARG 22 2HG ARG 22 10.112 6.033 -2.947 194 HD2 ARG 22 1HD ARG 22 10.374 6.213 -0.699 195 HD3 ARG 22 2HD ARG 22 10.477 4.468 -0.464 196 HE ARG 22 HE ARG 22 12.784 5.143 -1.778 197 HH11 ARG 22 1HH1 ARG 22 11.236 6.108 1.188 198 HH12 ARG 22 2HH1 ARG 22 12.725 6.463 2.001 199 HH21 ARG 22 1HH2 ARG 22 14.749 5.607 -0.718 200 HH22 ARG 22 2HH2 ARG 22 14.722 6.179 0.916 201 H VAL 23 H VAL 23 5.913 3.331 -2.638 202 HA VAL 23 HA VAL 23 5.449 4.110 -5.385 203 HB VAL 23 HB VAL 23 3.856 2.151 -3.731 204 HG11 VAL 23 1HG1 VAL 23 2.769 2.891 -5.788 205 HG12 VAL 23 2HG1 VAL 23 4.204 2.446 -6.714 206 HG13 VAL 23 3HG1 VAL 23 3.257 1.200 -5.902 207 HG21 VAL 23 3HG2 VAL 23 5.411 0.577 -5.250 208 HG22 VAL 23 1HG2 VAL 23 6.518 1.925 -4.990 209 HG23 VAL 23 2HG2 VAL 23 5.839 1.063 -3.610 210 H ILE 24 H ILE 24 3.863 4.446 -2.264 211 HA ILE 24 HA ILE 24 1.383 5.407 -3.173 212 HB ILE 24 HB ILE 24 2.798 6.036 -0.580 213 HG12 ILE 24 1HG1 ILE 24 0.767 3.898 -1.264 214 HG13 ILE 24 2HG1 ILE 24 2.476 3.627 -0.940 215 HG21 ILE 24 1HG2 ILE 24 0.565 6.554 0.278 216 HG22 ILE 24 2HG2 ILE 24 1.013 7.622 -1.051 217 HG23 ILE 24 3HG2 ILE 24 -0.112 6.292 -1.329 218 HD11 ILE 24 3HD1 ILE 24 1.620 4.990 1.289 219 HD12 ILE 24 1HD1 ILE 24 0.257 3.942 0.898 220 HD13 ILE 24 2HD1 ILE 24 1.858 3.247 1.157 221 H ALA 25 H ALA 25 4.482 6.928 -2.847 222 HA ALA 25 HA ALA 25 3.420 9.615 -3.037 223 HB1 ALA 25 3HB ALA 25 5.597 10.376 -2.712 224 HB2 ALA 25 1HB ALA 25 5.536 8.886 -1.769 225 HB3 ALA 25 2HB ALA 25 6.312 8.897 -3.354 226 H LEU 26 H LEU 26 4.594 7.147 -5.155 227 HA LEU 26 HA LEU 26 5.015 8.975 -7.370 228 HB2 LEU 26 1HB LEU 26 5.693 6.229 -6.735 229 HB3 LEU 26 2HB LEU 26 5.046 6.385 -8.367 230 HG LEU 26 HG LEU 26 7.524 6.483 -8.245 231 HD11 LEU 26 1HD1 LEU 26 7.553 8.870 -9.428 232 HD12 LEU 26 2HD1 LEU 26 5.812 8.596 -9.412 233 HD13 LEU 26 3HD1 LEU 26 6.879 7.434 -10.198 234 HD21 LEU 26 3HD2 LEU 26 7.009 8.241 -6.115 235 HD22 LEU 26 1HD2 LEU 26 7.743 9.211 -7.393 236 HD23 LEU 26 2HD2 LEU 26 8.576 7.780 -6.784 237 H LYS 27 H LYS 27 2.624 6.687 -6.233 238 HA LYS 27 HA LYS 27 1.040 6.993 -8.665 239 HB2 LYS 27 1HB LYS 27 1.423 4.852 -7.025 240 HB3 LYS 27 2HB LYS 27 -0.096 5.483 -6.403 241 HG2 LYS 27 1HG LYS 27 -0.636 3.859 -8.034 242 HG3 LYS 27 2HG LYS 27 -0.967 5.436 -8.754 243 HD2 LYS 27 1HD LYS 27 0.147 4.284 -10.448 244 HD3 LYS 27 2HD LYS 27 1.418 5.261 -9.710 245 HE2 LYS 27 1HE LYS 27 2.495 3.457 -8.861 246 HE3 LYS 27 2HE LYS 27 1.000 2.571 -8.564 247 HZ1 LYS 27 3HZ LYS 27 2.646 2.683 -10.980 248 HZ2 LYS 27 1HZ LYS 27 0.974 2.509 -11.174 249 HZ3 LYS 27 2HZ LYS 27 1.844 1.368 -10.279 250 H LYS 28 H LYS 28 0.762 7.579 -5.174 251 HA LYS 28 HA LYS 28 -0.587 8.949 -3.956 252 HB2 LYS 28 1HB LYS 28 -0.109 10.412 -6.490 253 HB3 LYS 28 2HB LYS 28 -1.427 11.003 -5.485 254 HG2 LYS 28 1HG LYS 28 0.084 11.290 -3.616 255 HG3 LYS 28 2HG LYS 28 1.414 10.616 -4.561 256 HD2 LYS 28 1HD LYS 28 1.319 12.464 -6.103 257 HD3 LYS 28 2HD LYS 28 -0.124 13.101 -5.311 258 HE2 LYS 28 1HE LYS 28 2.571 12.793 -3.992 259 HE3 LYS 28 2HE LYS 28 1.959 14.293 -4.686 260 HZ1 LYS 28 3HZ LYS 28 -0.049 13.662 -3.076 261 HZ2 LYS 28 1HZ LYS 28 1.264 14.607 -2.580 262 HZ3 LYS 28 2HZ LYS 28 1.224 12.957 -2.211 263 HA PRO 29 HA PRO 29 -4.376 6.991 -5.792 264 HB2 PRO 29 1HB PRO 29 -5.055 5.640 -3.537 265 HB3 PRO 29 2HB PRO 29 -3.940 4.991 -4.746 266 HG2 PRO 29 1HG PRO 29 -3.336 6.338 -2.141 267 HG3 PRO 29 2HG PRO 29 -2.588 4.897 -2.856 268 HD2 PRO 29 1HD PRO 29 -1.433 7.344 -2.962 269 HD3 PRO 29 2HD PRO 29 -1.235 6.138 -4.249 270 H SER 30 H SER 30 -6.637 7.047 -4.847 271 HA SER 30 HA SER 30 -6.972 9.378 -3.077 272 HB2 SER 30 1HB SER 30 -7.518 9.539 -5.690 273 HB3 SER 30 2HB SER 30 -9.043 8.839 -5.147 274 HG SER 30 HG SER 30 -7.893 11.110 -3.914 275 H ALA 31 H ALA 31 -6.928 6.725 -2.185 276 HA ALA 31 HA ALA 31 -8.088 5.258 -0.887 277 HB1 ALA 31 3HB ALA 31 -10.370 6.320 -0.031 278 HB2 ALA 31 1HB ALA 31 -8.801 6.820 0.602 279 HB3 ALA 31 2HB ALA 31 -9.606 7.792 -0.630 280 H SER 32 H SER 32 -8.383 3.902 -2.765 281 HA SER 32 HA SER 32 -11.123 3.212 -3.176 282 HB2 SER 32 1HB SER 32 -10.754 5.157 -4.774 283 HB3 SER 32 2HB SER 32 -9.640 4.108 -5.652 284 HG SER 32 HG SER 32 -12.285 4.208 -5.833 285 H ASP 33 H ASP 33 -11.337 1.117 -3.806 286 HA ASP 33 HA ASP 33 -9.246 -0.663 -3.521 287 HB2 ASP 33 1HB ASP 33 -12.013 -0.788 -4.439 288 HB3 ASP 33 2HB ASP 33 -10.986 -1.984 -5.225 289 H ALA 34 H ALA 34 -10.516 0.798 -6.481 290 HA ALA 34 HA ALA 34 -8.797 -0.655 -8.233 291 HB1 ALA 34 3HB ALA 34 -9.534 1.012 -9.927 292 HB2 ALA 34 1HB ALA 34 -10.861 0.205 -9.091 293 HB3 ALA 34 2HB ALA 34 -10.411 1.854 -8.651 294 H ASP 35 H ASP 35 -8.701 2.571 -6.780 295 HA ASP 35 HA ASP 35 -6.433 3.527 -8.123 296 HB2 ASP 35 1HB ASP 35 -7.602 4.194 -5.422 297 HB3 ASP 35 2HB ASP 35 -6.209 5.042 -6.088 298 H TRP 36 H TRP 36 -6.760 1.682 -5.124 299 HA TRP 36 HA TRP 36 -4.015 1.761 -4.423 300 HB2 TRP 36 1HB TRP 36 -6.414 0.261 -3.537 301 HB3 TRP 36 2HB TRP 36 -4.857 -0.487 -3.198 302 HD1 TRP 36 HD1 TRP 36 -7.188 2.139 -1.938 303 HE1 TRP 36 HE1 TRP 36 -6.129 3.375 0.055 304 HE3 TRP 36 HE3 TRP 36 -2.404 0.382 -2.344 305 HZ2 TRP 36 HZ2 TRP 36 -3.600 3.580 1.292 306 HZ3 TRP 36 HZ3 TRP 36 -0.725 1.148 -0.717 307 HH2 TRP 36 HH2 TRP 36 -1.312 2.714 1.062 308 H THR 37 H THR 37 -5.856 -0.177 -6.623 309 HA THR 37 HA THR 37 -4.289 -2.466 -6.813 310 HB THR 37 HB THR 37 -5.592 -1.145 -9.193 311 HG1 THR 37 HG1 THR 37 -7.483 -2.346 -8.487 312 HG21 THR 37 3HG2 THR 37 -6.096 -3.827 -9.307 313 HG22 THR 37 1HG2 THR 37 -4.493 -3.794 -8.575 314 HG23 THR 37 2HG2 THR 37 -4.766 -3.016 -10.134 315 H GLU 38 H GLU 38 -3.753 0.749 -8.067 316 HA GLU 38 HA GLU 38 -1.741 0.099 -9.948 317 HB2 GLU 38 1HB GLU 38 -2.252 2.670 -8.444 318 HB3 GLU 38 2HB GLU 38 -1.143 2.507 -9.798 319 HG2 GLU 38 1HG GLU 38 -3.084 1.754 -11.184 320 HG3 GLU 38 2HG GLU 38 -4.131 2.181 -9.831 321 H VAL 39 H VAL 39 -1.543 1.309 -6.605 322 HA VAL 39 HA VAL 39 1.294 1.160 -6.476 323 HB VAL 39 HB VAL 39 -0.726 1.241 -4.230 324 HG11 VAL 39 1HG1 VAL 39 1.716 2.408 -3.468 325 HG12 VAL 39 2HG1 VAL 39 0.986 0.925 -2.851 326 HG13 VAL 39 3HG1 VAL 39 2.112 0.858 -4.208 327 HG21 VAL 39 3HG2 VAL 39 0.792 3.421 -5.655 328 HG22 VAL 39 1HG2 VAL 39 -0.955 3.184 -5.611 329 HG23 VAL 39 2HG2 VAL 39 -0.091 3.653 -4.146 330 H LEU 40 H LEU 40 -1.319 -1.001 -5.481 331 HA LEU 40 HA LEU 40 0.385 -2.903 -4.216 332 HB2 LEU 40 1HB LEU 40 -1.834 -2.936 -3.496 333 HB3 LEU 40 2HB LEU 40 -2.464 -2.915 -5.141 334 HG LEU 40 HG LEU 40 -1.563 -5.261 -5.388 335 HD11 LEU 40 1HD1 LEU 40 -0.035 -5.673 -3.749 336 HD12 LEU 40 2HD1 LEU 40 -1.474 -6.342 -2.980 337 HD13 LEU 40 3HD1 LEU 40 -0.908 -4.731 -2.540 338 HD21 LEU 40 3HD2 LEU 40 -3.505 -5.415 -3.184 339 HD22 LEU 40 1HD2 LEU 40 -3.590 -6.058 -4.824 340 HD23 LEU 40 2HD2 LEU 40 -3.960 -4.361 -4.523 341 H ARG 41 H ARG 41 -0.427 -2.233 -7.471 342 HA ARG 41 HA ARG 41 -0.160 -4.787 -8.618 343 HB2 ARG 41 1HB ARG 41 -0.340 -2.046 -9.537 344 HB3 ARG 41 2HB ARG 41 0.816 -2.959 -10.497 345 HG2 ARG 41 1HG ARG 41 -1.606 -4.469 -10.054 346 HG3 ARG 41 2HG ARG 41 -1.938 -2.906 -10.804 347 HD2 ARG 41 1HD ARG 41 -1.566 -4.336 -12.612 348 HD3 ARG 41 2HD ARG 41 -0.033 -3.485 -12.414 349 HE ARG 41 HE ARG 41 0.341 -5.706 -10.943 350 HH11 ARG 41 1HH1 ARG 41 -0.812 -5.203 -14.189 351 HH12 ARG 41 2HH1 ARG 41 -0.205 -6.715 -14.779 352 HH21 ARG 41 1HH2 ARG 41 1.145 -7.699 -11.707 353 HH22 ARG 41 2HH2 ARG 41 0.908 -8.135 -13.366 354 H LEU 42 H LEU 42 2.177 -2.491 -7.469 355 HA LEU 42 HA LEU 42 4.402 -3.766 -8.810 356 HB2 LEU 42 1HB LEU 42 4.106 -1.474 -6.911 357 HB3 LEU 42 2HB LEU 42 5.693 -2.176 -7.217 358 HG LEU 42 HG LEU 42 5.119 -1.733 -9.715 359 HD11 LEU 42 1HD1 LEU 42 3.714 0.663 -9.153 360 HD12 LEU 42 2HD1 LEU 42 2.815 -0.674 -8.438 361 HD13 LEU 42 3HD1 LEU 42 3.212 -0.698 -10.157 362 HD21 LEU 42 3HD2 LEU 42 6.704 -0.509 -7.957 363 HD22 LEU 42 1HD2 LEU 42 5.576 0.810 -8.267 364 HD23 LEU 42 2HD2 LEU 42 6.472 0.086 -9.602 365 H LEU 43 H LEU 43 3.477 -3.244 -5.403 366 HA LEU 43 HA LEU 43 5.412 -5.013 -4.351 367 HB2 LEU 43 1HB LEU 43 3.564 -3.213 -3.336 368 HB3 LEU 43 2HB LEU 43 3.020 -4.774 -2.725 369 HG LEU 43 HG LEU 43 5.782 -3.622 -2.333 370 HD11 LEU 43 1HD1 LEU 43 3.537 -2.718 -1.133 371 HD12 LEU 43 2HD1 LEU 43 5.130 -2.724 -0.377 372 HD13 LEU 43 3HD1 LEU 43 3.989 -4.024 -0.039 373 HD21 LEU 43 3HD2 LEU 43 5.515 -6.141 -2.393 374 HD22 LEU 43 1HD2 LEU 43 4.527 -5.974 -0.941 375 HD23 LEU 43 2HD2 LEU 43 6.215 -5.462 -0.922 376 H ALA 44 H ALA 44 2.510 -5.589 -5.993 377 HA ALA 44 HA ALA 44 1.448 -7.849 -4.818 378 HB1 ALA 44 3HB ALA 44 1.547 -6.821 -7.603 379 HB2 ALA 44 1HB ALA 44 0.988 -8.473 -7.344 380 HB3 ALA 44 2HB ALA 44 0.161 -7.128 -6.558 381 H LYS 45 H LYS 45 4.401 -7.496 -6.618 382 HA LYS 45 HA LYS 45 4.881 -10.116 -7.412 383 HB2 LYS 45 1HB LYS 45 6.448 -7.694 -7.020 384 HB3 LYS 45 2HB LYS 45 7.373 -9.145 -6.654 385 HG2 LYS 45 1HG LYS 45 7.673 -9.536 -8.809 386 HG3 LYS 45 2HG LYS 45 5.929 -9.551 -9.081 387 HD2 LYS 45 1HD LYS 45 6.696 -7.849 -10.483 388 HD3 LYS 45 2HD LYS 45 6.112 -6.986 -9.058 389 HE2 LYS 45 1HE LYS 45 8.328 -6.681 -8.241 390 HE3 LYS 45 2HE LYS 45 8.990 -7.785 -9.444 391 HZ1 LYS 45 3HZ LYS 45 8.860 -5.087 -9.680 392 HZ2 LYS 45 1HZ LYS 45 7.535 -5.599 -10.601 393 HZ3 LYS 45 2HZ LYS 45 9.086 -6.173 -10.957 394 H GLU 46 H GLU 46 4.924 -8.709 -4.258 395 HA GLU 46 HA GLU 46 6.333 -11.002 -3.117 396 HB2 GLU 46 1HB GLU 46 6.105 -8.259 -2.417 397 HB3 GLU 46 2HB GLU 46 5.376 -9.194 -1.119 398 HG2 GLU 46 1HG GLU 46 7.582 -10.617 -1.377 399 HG3 GLU 46 2HG GLU 46 8.193 -9.104 -2.045 400 H GLY 47 H GLY 47 3.597 -11.138 -4.294 401 HA2 GLY 47 1HA GLY 47 1.554 -12.078 -3.822 402 HA3 GLY 47 2HA GLY 47 2.426 -12.958 -2.575 403 H VAL 48 H VAL 48 1.595 -9.515 -2.934 404 HA VAL 48 HA VAL 48 0.889 -9.314 -0.163 405 HB VAL 48 HB VAL 48 0.502 -7.331 -2.410 406 HG11 VAL 48 1HG1 VAL 48 0.271 -7.010 0.579 407 HG12 VAL 48 2HG1 VAL 48 0.320 -5.671 -0.570 408 HG13 VAL 48 3HG1 VAL 48 -1.014 -6.824 -0.615 409 HG21 VAL 48 3HG2 VAL 48 2.865 -8.219 -1.391 410 HG22 VAL 48 1HG2 VAL 48 2.613 -6.627 -2.104 411 HG23 VAL 48 2HG2 VAL 48 2.534 -6.832 -0.354 412 H VAL 49 H VAL 49 -1.129 -9.018 0.749 413 HA VAL 49 HA VAL 49 -3.288 -10.396 -0.417 414 HB VAL 49 HB VAL 49 -4.645 -9.397 1.445 415 HG11 VAL 49 1HG1 VAL 49 -2.197 -10.405 2.754 416 HG12 VAL 49 2HG1 VAL 49 -3.868 -10.956 2.889 417 HG13 VAL 49 3HG1 VAL 49 -2.893 -11.427 1.497 418 HG21 VAL 49 3HG2 VAL 49 -2.025 -8.173 2.297 419 HG22 VAL 49 1HG2 VAL 49 -3.346 -7.273 1.554 420 HG23 VAL 49 2HG2 VAL 49 -3.580 -8.051 3.120 421 H GLU 50 H GLU 50 -5.548 -9.305 -0.494 422 HA GLU 50 HA GLU 50 -5.711 -7.680 -2.704 423 HB2 GLU 50 1HB GLU 50 -8.020 -7.047 -1.761 424 HB3 GLU 50 2HB GLU 50 -7.697 -8.745 -2.076 425 HG2 GLU 50 1HG GLU 50 -6.965 -7.974 0.620 426 HG3 GLU 50 2HG GLU 50 -8.664 -7.661 0.267 427 HA PRO 51 HA PRO 51 -4.747 -3.564 -1.535 428 HB2 PRO 51 1HB PRO 51 -6.526 -2.134 -3.005 429 HB3 PRO 51 2HB PRO 51 -5.139 -2.966 -3.719 430 HG2 PRO 51 1HG PRO 51 -8.001 -3.833 -3.580 431 HG3 PRO 51 2HG PRO 51 -6.864 -3.938 -4.937 432 HD2 PRO 51 1HD PRO 51 -7.443 -6.057 -3.355 433 HD3 PRO 51 2HD PRO 51 -5.850 -5.833 -4.106 434 H GLU 52 H GLU 52 -8.164 -4.455 -1.374 435 HA GLU 52 HA GLU 52 -9.196 -2.318 0.032 436 HB2 GLU 52 1HB GLU 52 -10.491 -4.258 -0.873 437 HB3 GLU 52 2HB GLU 52 -9.924 -5.215 0.489 438 HG2 GLU 52 1HG GLU 52 -11.089 -2.740 1.388 439 HG3 GLU 52 2HG GLU 52 -12.211 -3.637 0.367 440 H VAL 53 H VAL 53 -7.205 -4.955 1.175 441 HA VAL 53 HA VAL 53 -7.561 -4.228 3.961 442 HB VAL 53 HB VAL 53 -5.723 -6.270 2.704 443 HG11 VAL 53 1HG1 VAL 53 -5.546 -7.166 5.003 444 HG12 VAL 53 2HG1 VAL 53 -4.854 -5.551 4.838 445 HG13 VAL 53 3HG1 VAL 53 -6.436 -5.762 5.590 446 HG21 VAL 53 3HG2 VAL 53 -7.923 -7.245 4.335 447 HG22 VAL 53 1HG2 VAL 53 -8.473 -6.342 2.925 448 HG23 VAL 53 2HG2 VAL 53 -7.411 -7.733 2.720 449 H VAL 54 H VAL 54 -4.960 -4.193 1.545 450 HA VAL 54 HA VAL 54 -2.881 -3.234 3.082 451 HB VAL 54 HB VAL 54 -3.497 -2.501 0.215 452 HG11 VAL 54 1HG1 VAL 54 -1.252 -1.877 2.007 453 HG12 VAL 54 2HG1 VAL 54 -0.796 -2.498 0.418 454 HG13 VAL 54 3HG1 VAL 54 -1.804 -1.057 0.547 455 HG21 VAL 54 3HG2 VAL 54 -2.302 -4.397 -0.453 456 HG22 VAL 54 1HG2 VAL 54 -1.591 -4.623 1.146 457 HG23 VAL 54 2HG2 VAL 54 -3.300 -4.972 0.883 458 H ARG 55 H ARG 55 -5.665 -1.533 1.853 459 HA ARG 55 HA ARG 55 -4.783 1.104 2.057 460 HB2 ARG 55 1HB ARG 55 -6.935 0.361 1.031 461 HB3 ARG 55 2HB ARG 55 -7.568 0.091 2.649 462 HG2 ARG 55 1HG ARG 55 -7.720 2.333 3.115 463 HG3 ARG 55 2HG ARG 55 -6.465 2.768 1.952 464 HD2 ARG 55 1HD ARG 55 -8.038 3.242 0.461 465 HD3 ARG 55 2HD ARG 55 -8.561 1.559 0.500 466 HE ARG 55 HE ARG 55 -9.844 3.808 1.762 467 HH11 ARG 55 1HH1 ARG 55 -9.455 0.348 1.748 468 HH12 ARG 55 2HH1 ARG 55 -10.968 0.044 2.533 469 HH21 ARG 55 1HH2 ARG 55 -11.840 3.421 2.796 470 HH22 ARG 55 2HH2 ARG 55 -12.324 1.793 3.128 471 H GLN 56 H GLN 56 -6.770 -0.648 4.451 472 HA GLN 56 HA GLN 56 -6.562 1.234 6.489 473 HB2 GLN 56 1HB GLN 56 -7.650 -1.358 6.175 474 HB3 GLN 56 2HB GLN 56 -6.646 -1.401 7.618 475 HG2 GLN 56 1HG GLN 56 -8.560 0.848 7.257 476 HG3 GLN 56 2HG GLN 56 -9.168 -0.732 7.750 477 HE21 GLN 56 2HE2 GLN 56 -7.077 1.931 8.614 478 HE22 GLN 56 1HE2 GLN 56 -6.985 1.566 10.300 479 H ILE 57 H ILE 57 -4.411 -1.399 5.600 480 HA ILE 57 HA ILE 57 -2.772 -1.341 7.893 481 HB ILE 57 HB ILE 57 -2.061 -2.168 5.077 482 HG12 ILE 57 1HG1 ILE 57 -3.955 -3.416 6.070 483 HG13 ILE 57 2HG1 ILE 57 -2.539 -4.433 5.828 484 HG21 ILE 57 1HG2 ILE 57 -0.030 -1.801 6.228 485 HG22 ILE 57 2HG2 ILE 57 -0.645 -2.551 7.700 486 HG23 ILE 57 3HG2 ILE 57 -0.313 -3.541 6.279 487 HD11 ILE 57 3HD1 ILE 57 -2.529 -4.987 7.965 488 HD12 ILE 57 1HD1 ILE 57 -2.459 -3.292 8.446 489 HD13 ILE 57 2HD1 ILE 57 -4.020 -4.068 8.175 490 H ALA 58 H ALA 58 -2.408 0.214 4.714 491 HA ALA 58 HA ALA 58 0.020 1.517 5.254 492 HB1 ALA 58 3HB ALA 58 -0.337 1.643 3.036 493 HB2 ALA 58 1HB ALA 58 -2.091 1.711 3.214 494 HB3 ALA 58 2HB ALA 58 -1.122 3.167 3.447 495 H ILE 59 H ILE 59 -3.160 2.144 6.351 496 HA ILE 59 HA ILE 59 -2.710 4.947 6.911 497 HB ILE 59 HB ILE 59 -4.978 3.130 7.734 498 HG12 ILE 59 1HG1 ILE 59 -5.195 5.338 5.724 499 HG13 ILE 59 2HG1 ILE 59 -4.501 3.797 5.229 500 HG21 ILE 59 1HG2 ILE 59 -5.805 5.800 7.759 501 HG22 ILE 59 2HG2 ILE 59 -5.563 4.741 9.146 502 HG23 ILE 59 3HG2 ILE 59 -4.250 5.777 8.590 503 HD11 ILE 59 3HD1 ILE 59 -6.969 3.448 6.694 504 HD12 ILE 59 1HD1 ILE 59 -7.176 4.467 5.271 505 HD13 ILE 59 2HD1 ILE 59 -6.500 2.847 5.105 506 H THR 60 H THR 60 -2.958 1.925 8.744 507 HA THR 60 HA THR 60 -2.350 3.274 11.239 508 HB THR 60 HB THR 60 -2.700 1.196 12.327 509 HG1 THR 60 HG1 THR 60 -2.270 0.093 9.753 510 HG21 THR 60 3HG2 THR 60 -4.654 2.356 10.917 511 HG22 THR 60 1HG2 THR 60 -4.913 0.902 11.880 512 HG23 THR 60 2HG2 THR 60 -4.656 0.772 10.141 513 H ARG 61 H ARG 61 -0.556 2.241 8.673 514 HA ARG 61 HA ARG 61 1.781 1.655 10.370 515 HB2 ARG 61 1HB ARG 61 1.177 0.740 7.554 516 HB3 ARG 61 2HB ARG 61 2.716 0.489 8.366 517 HG2 ARG 61 1HG ARG 61 0.119 -0.516 9.487 518 HG3 ARG 61 2HG ARG 61 1.101 -1.455 8.361 519 HD2 ARG 61 1HD ARG 61 3.026 -1.096 9.980 520 HD3 ARG 61 2HD ARG 61 1.819 -0.512 11.125 521 HE ARG 61 HE ARG 61 1.190 -3.086 10.026 522 HH11 ARG 61 1HH1 ARG 61 2.976 -1.402 12.494 523 HH12 ARG 61 2HH1 ARG 61 3.018 -2.758 13.572 524 HH21 ARG 61 1HH2 ARG 61 1.239 -4.879 11.435 525 HH22 ARG 61 2HH2 ARG 61 2.031 -4.735 12.968 526 H LEU 62 H LEU 62 0.824 3.108 7.263 527 HA LEU 62 HA LEU 62 3.246 4.744 7.293 528 HB2 LEU 62 1HB LEU 62 1.517 3.653 5.258 529 HB3 LEU 62 2HB LEU 62 1.727 5.389 5.041 530 HG LEU 62 HG LEU 62 3.934 3.334 5.162 531 HD11 LEU 62 1HD1 LEU 62 4.146 3.543 2.859 532 HD12 LEU 62 2HD1 LEU 62 3.206 5.033 2.806 533 HD13 LEU 62 3HD1 LEU 62 2.400 3.491 3.098 534 HD21 LEU 62 3HD2 LEU 62 4.003 6.323 4.776 535 HD22 LEU 62 1HD2 LEU 62 5.365 5.245 4.469 536 HD23 LEU 62 2HD2 LEU 62 4.714 5.399 6.101 537 H LYS 63 H LYS 63 0.547 5.025 8.859 538 HA LYS 63 HA LYS 63 -0.802 6.704 9.605 539 HB2 LYS 63 1HB LYS 63 1.608 8.368 8.852 540 HB3 LYS 63 2HB LYS 63 0.301 8.891 9.905 541 HG2 LYS 63 1HG LYS 63 0.934 6.790 11.296 542 HG3 LYS 63 2HG LYS 63 2.460 6.897 10.417 543 HD2 LYS 63 1HD LYS 63 3.118 8.384 11.941 544 HD3 LYS 63 2HD LYS 63 1.943 9.503 11.244 545 HE2 LYS 63 1HE LYS 63 0.244 8.702 12.798 546 HE3 LYS 63 2HE LYS 63 1.391 7.546 13.474 547 HZ1 LYS 63 3HZ LYS 63 0.976 10.163 14.273 548 HZ2 LYS 63 1HZ LYS 63 2.493 10.148 13.524 549 HZ3 LYS 63 2HZ LYS 63 2.177 9.103 14.816 550 H TRP 64 H TRP 64 -1.000 5.998 6.775 551 HA TRP 64 HA TRP 64 -1.340 8.337 5.209 552 HB2 TRP 64 1HB TRP 64 -1.031 5.989 4.334 553 HB3 TRP 64 2HB TRP 64 -2.704 5.676 4.786 554 HD1 TRP 64 HD1 TRP 64 -0.965 8.498 2.743 555 HE1 TRP 64 HE1 TRP 64 -2.346 8.880 0.604 556 HE3 TRP 64 HE3 TRP 64 -4.618 5.005 3.504 557 HZ2 TRP 64 HZ2 TRP 64 -4.677 7.839 -0.600 558 HZ3 TRP 64 HZ3 TRP 64 -6.388 4.761 1.811 559 HH2 TRP 64 HH2 TRP 64 -6.415 6.150 -0.197 560 H VAL 65 H VAL 65 -3.257 9.367 4.541 561 HA VAL 65 HA VAL 65 -5.729 8.737 5.947 562 HB VAL 65 HB VAL 65 -6.003 11.184 6.566 563 HG11 VAL 65 1HG1 VAL 65 -5.671 9.552 8.280 564 HG12 VAL 65 2HG1 VAL 65 -3.939 9.480 7.950 565 HG13 VAL 65 3HG1 VAL 65 -4.644 10.938 8.648 566 HG21 VAL 65 3HG2 VAL 65 -4.231 12.141 5.245 567 HG22 VAL 65 1HG2 VAL 65 -3.888 12.424 6.953 568 HG23 VAL 65 2HG2 VAL 65 -3.026 11.158 6.078 569 H GLU 66 H GLU 66 -7.329 8.819 4.525 570 HA GLU 66 HA GLU 66 -7.105 9.593 1.887 571 HB2 GLU 66 1HB GLU 66 -9.452 9.333 1.710 572 HB3 GLU 66 2HB GLU 66 -8.938 8.202 2.954 573 HG2 GLU 66 1HG GLU 66 -9.523 10.166 4.571 574 HG3 GLU 66 2HG GLU 66 -10.499 10.723 3.214 575 HA PRO 67 HA PRO 67 -7.328 13.974 1.738 576 HB2 PRO 67 1HB PRO 67 -8.649 14.347 -0.604 577 HB3 PRO 67 2HB PRO 67 -6.973 13.792 -0.524 578 HG2 PRO 67 1HG PRO 67 -9.478 12.202 -0.923 579 HG3 PRO 67 2HG PRO 67 -7.916 12.057 -1.751 580 HD2 PRO 67 1HD PRO 67 -8.663 10.394 0.251 581 HD3 PRO 67 2HD PRO 67 -6.971 10.854 -0.026 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -16.642 3.628 13.824 2 HA2 GLY 1 1HA GLY 1 -15.129 2.621 15.385 3 HA3 GLY 1 2HA GLY 1 -16.189 1.221 15.455 4 HA PRO 2 HA PRO 2 -12.572 0.349 12.623 5 HB2 PRO 2 1HB PRO 2 -11.771 -1.909 13.901 6 HB3 PRO 2 2HB PRO 2 -11.197 -0.297 14.347 7 HG2 PRO 2 1HG PRO 2 -13.342 -1.961 15.609 8 HG3 PRO 2 2HG PRO 2 -12.074 -0.994 16.384 9 HD2 PRO 2 1HD PRO 2 -14.626 -0.122 16.139 10 HD3 PRO 2 2HD PRO 2 -13.233 0.979 16.107 11 H LEU 3 H LEU 3 -12.249 -1.608 11.302 12 HA LEU 3 HA LEU 3 -14.218 -3.686 11.333 13 HB2 LEU 3 1HB LEU 3 -14.988 -3.098 8.961 14 HB3 LEU 3 2HB LEU 3 -15.695 -2.217 10.313 15 HG LEU 3 HG LEU 3 -13.369 -0.861 9.223 16 HD11 LEU 3 1HD1 LEU 3 -14.314 -0.220 7.102 17 HD12 LEU 3 2HD1 LEU 3 -15.732 -1.230 7.387 18 HD13 LEU 3 3HD1 LEU 3 -14.150 -1.976 7.159 19 HD21 LEU 3 3HD2 LEU 3 -15.383 0.855 8.940 20 HD22 LEU 3 1HD2 LEU 3 -14.640 0.518 10.504 21 HD23 LEU 3 2HD2 LEU 3 -16.153 -0.273 10.059 22 H GLY 4 H GLY 4 -12.653 -5.210 11.170 23 HA2 GLY 4 1HA GLY 4 -11.710 -6.496 9.192 24 HA3 GLY 4 2HA GLY 4 -10.814 -5.019 8.868 25 H SER 5 H SER 5 -8.770 -5.138 9.475 26 HA SER 5 HA SER 5 -6.874 -5.669 10.613 27 HB2 SER 5 1HB SER 5 -8.740 -6.001 12.974 28 HB3 SER 5 2HB SER 5 -6.995 -5.758 13.049 29 HG SER 5 HG SER 5 -7.594 -3.733 13.194 30 H VAL 6 H VAL 6 -7.515 -7.687 9.121 31 HA VAL 6 HA VAL 6 -7.943 -10.116 10.631 32 HB VAL 6 HB VAL 6 -7.231 -9.806 7.712 33 HG11 VAL 6 1HG1 VAL 6 -8.215 -12.120 9.360 34 HG12 VAL 6 2HG1 VAL 6 -8.359 -12.077 7.602 35 HG13 VAL 6 3HG1 VAL 6 -6.767 -12.025 8.358 36 HG21 VAL 6 3HG2 VAL 6 -9.647 -10.124 7.308 37 HG22 VAL 6 1HG2 VAL 6 -9.926 -10.033 9.046 38 HG23 VAL 6 2HG2 VAL 6 -9.295 -8.633 8.180 39 H ALA 7 H ALA 7 -6.459 -11.757 10.965 40 HA ALA 7 HA ALA 7 -3.718 -10.925 11.178 41 HB1 ALA 7 3HB ALA 7 -4.795 -12.325 12.890 42 HB2 ALA 7 1HB ALA 7 -4.934 -13.632 11.713 43 HB3 ALA 7 2HB ALA 7 -3.343 -13.074 12.228 44 H LYS 8 H LYS 8 -3.696 -10.582 8.729 45 HA LYS 8 HA LYS 8 -3.685 -12.664 6.891 46 HB2 LYS 8 1HB LYS 8 -2.931 -9.906 6.936 47 HB3 LYS 8 2HB LYS 8 -1.663 -10.819 6.127 48 HG2 LYS 8 1HG LYS 8 -3.053 -10.267 4.381 49 HG3 LYS 8 2HG LYS 8 -3.624 -11.883 4.804 50 HD2 LYS 8 1HD LYS 8 -5.006 -9.944 6.391 51 HD3 LYS 8 2HD LYS 8 -5.109 -9.485 4.689 52 HE2 LYS 8 1HE LYS 8 -5.591 -12.150 4.541 53 HE3 LYS 8 2HE LYS 8 -6.290 -11.772 6.114 54 HZ1 LYS 8 3HZ LYS 8 -7.880 -10.447 5.193 55 HZ2 LYS 8 1HZ LYS 8 -7.681 -11.547 3.925 56 HZ3 LYS 8 2HZ LYS 8 -6.940 -10.029 3.851 57 H LYS 9 H LYS 9 -1.559 -13.219 5.620 58 HA LYS 9 HA LYS 9 0.276 -14.375 7.596 59 HB2 LYS 9 1HB LYS 9 0.897 -15.964 5.882 60 HB3 LYS 9 2HB LYS 9 -0.856 -15.914 6.017 61 HG2 LYS 9 1HG LYS 9 -0.260 -14.025 4.074 62 HG3 LYS 9 2HG LYS 9 0.839 -15.366 3.744 63 HD2 LYS 9 1HD LYS 9 -2.061 -15.885 4.278 64 HD3 LYS 9 2HD LYS 9 -1.530 -15.363 2.678 65 HE2 LYS 9 1HE LYS 9 -0.490 -17.327 2.237 66 HE3 LYS 9 2HE LYS 9 -0.001 -17.568 3.913 67 HZ1 LYS 9 3HZ LYS 9 -1.736 -19.138 2.961 68 HZ2 LYS 9 1HZ LYS 9 -2.821 -17.844 3.067 69 HZ3 LYS 9 2HZ LYS 9 -2.077 -18.442 4.464 70 H ILE 10 H ILE 10 0.353 -11.571 6.614 71 HA ILE 10 HA ILE 10 3.117 -11.610 5.597 72 HB ILE 10 HB ILE 10 1.025 -9.562 4.854 73 HG12 ILE 10 1HG1 ILE 10 1.891 -10.853 2.547 74 HG13 ILE 10 2HG1 ILE 10 1.696 -12.157 3.712 75 HG21 ILE 10 1HG2 ILE 10 3.402 -9.720 3.203 76 HG22 ILE 10 2HG2 ILE 10 2.663 -8.326 3.990 77 HG23 ILE 10 3HG2 ILE 10 3.784 -9.351 4.884 78 HD11 ILE 10 3HD1 ILE 10 -0.576 -11.761 3.958 79 HD12 ILE 10 1HD1 ILE 10 -0.461 -10.127 3.305 80 HD13 ILE 10 2HD1 ILE 10 -0.296 -11.519 2.233 81 H THR 11 H THR 11 4.433 -10.830 7.092 82 HA THR 11 HA THR 11 3.428 -9.029 9.145 83 HB THR 11 HB THR 11 6.154 -10.304 8.843 84 HG1 THR 11 HG1 THR 11 5.283 -11.547 10.691 85 HG21 THR 11 3HG2 THR 11 4.928 -8.716 11.098 86 HG22 THR 11 1HG2 THR 11 6.346 -8.288 10.142 87 HG23 THR 11 2HG2 THR 11 6.407 -9.665 11.240 88 H TRP 12 H TRP 12 3.217 -7.015 8.278 89 HA TRP 12 HA TRP 12 5.023 -5.828 6.467 90 HB2 TRP 12 1HB TRP 12 3.042 -4.552 8.365 91 HB3 TRP 12 2HB TRP 12 3.882 -3.698 7.075 92 HD1 TRP 12 HD1 TRP 12 1.015 -6.118 7.692 93 HE1 TRP 12 HE1 TRP 12 -0.333 -6.389 5.516 94 HE3 TRP 12 HE3 TRP 12 4.135 -3.638 4.489 95 HZ2 TRP 12 HZ2 TRP 12 -0.103 -5.651 2.801 96 HZ3 TRP 12 HZ3 TRP 12 3.497 -3.467 2.118 97 HH2 TRP 12 HH2 TRP 12 1.422 -4.454 1.294 98 H ARG 13 H ARG 13 7.117 -5.611 6.973 99 HA ARG 13 HA ARG 13 7.892 -4.781 9.660 100 HB2 ARG 13 1HB ARG 13 9.616 -5.549 7.298 101 HB3 ARG 13 2HB ARG 13 10.176 -5.278 8.943 102 HG2 ARG 13 1HG ARG 13 8.348 -7.166 9.424 103 HG3 ARG 13 2HG ARG 13 8.781 -7.599 7.768 104 HD2 ARG 13 1HD ARG 13 10.589 -8.621 8.552 105 HD3 ARG 13 2HD ARG 13 11.194 -7.061 9.105 106 HE ARG 13 HE ARG 13 10.734 -7.705 11.243 107 HH11 ARG 13 1HH1 ARG 13 8.873 -9.680 9.063 108 HH12 ARG 13 2HH1 ARG 13 8.259 -10.711 10.313 109 HH21 ARG 13 1HH2 ARG 13 9.934 -9.056 12.898 110 HH22 ARG 13 2HH2 ARG 13 8.862 -10.354 12.494 111 H LYS 14 H LYS 14 10.130 -3.356 9.342 112 HA LYS 14 HA LYS 14 9.179 -0.767 8.720 113 HB2 LYS 14 1HB LYS 14 10.963 -1.301 10.396 114 HB3 LYS 14 2HB LYS 14 12.054 -1.631 9.057 115 HG2 LYS 14 1HG LYS 14 11.485 0.759 8.287 116 HG3 LYS 14 2HG LYS 14 10.883 0.978 9.932 117 HD2 LYS 14 1HD LYS 14 12.953 1.222 10.715 118 HD3 LYS 14 2HD LYS 14 13.464 -0.295 9.971 119 HE2 LYS 14 1HE LYS 14 14.799 1.579 9.159 120 HE3 LYS 14 2HE LYS 14 13.847 0.864 7.858 121 HZ1 LYS 14 3HZ LYS 14 13.931 3.505 8.514 122 HZ2 LYS 14 1HZ LYS 14 12.466 2.989 9.184 123 HZ3 LYS 14 2HZ LYS 14 12.768 2.765 7.535 124 H GLN 15 H GLN 15 11.715 -2.725 7.149 125 HA GLN 15 HA GLN 15 12.130 -1.011 4.978 126 HB2 GLN 15 1HB GLN 15 13.088 -3.043 3.855 127 HB3 GLN 15 2HB GLN 15 13.753 -2.697 5.446 128 HG2 GLN 15 1HG GLN 15 13.220 -4.723 6.136 129 HG3 GLN 15 2HG GLN 15 11.522 -4.428 5.763 130 HE21 GLN 15 2HE2 GLN 15 11.500 -4.253 3.074 131 HE22 GLN 15 1HE2 GLN 15 12.002 -5.747 2.364 132 H ASP 16 H ASP 16 9.680 -3.399 5.583 133 HA ASP 16 HA ASP 16 8.797 -3.766 2.921 134 HB2 ASP 16 1HB ASP 16 7.593 -4.238 5.625 135 HB3 ASP 16 2HB ASP 16 6.585 -4.377 4.187 136 H LEU 17 H LEU 17 7.777 -1.555 5.497 137 HA LEU 17 HA LEU 17 5.652 -0.366 4.071 138 HB2 LEU 17 1HB LEU 17 7.323 0.517 6.401 139 HB3 LEU 17 2HB LEU 17 6.071 1.553 5.719 140 HG LEU 17 HG LEU 17 5.468 -1.223 6.700 141 HD11 LEU 17 1HD1 LEU 17 6.232 -0.395 8.688 142 HD12 LEU 17 2HD1 LEU 17 4.573 0.200 8.727 143 HD13 LEU 17 3HD1 LEU 17 5.886 1.279 8.254 144 HD21 LEU 17 3HD2 LEU 17 3.924 0.239 5.203 145 HD22 LEU 17 1HD2 LEU 17 3.628 1.132 6.696 146 HD23 LEU 17 2HD2 LEU 17 3.250 -0.589 6.607 147 H ASP 18 H ASP 18 9.048 0.571 4.483 148 HA ASP 18 HA ASP 18 9.001 2.996 3.131 149 HB2 ASP 18 1HB ASP 18 10.926 1.896 4.431 150 HB3 ASP 18 2HB ASP 18 11.306 1.068 2.922 151 H ARG 19 H ARG 19 8.903 -0.253 1.898 152 HA ARG 19 HA ARG 19 9.617 0.388 -0.789 153 HB2 ARG 19 1HB ARG 19 9.852 -1.884 0.109 154 HB3 ARG 19 2HB ARG 19 8.109 -1.990 0.313 155 HG2 ARG 19 1HG ARG 19 8.886 -3.181 -1.678 156 HG3 ARG 19 2HG ARG 19 7.789 -1.858 -2.083 157 HD2 ARG 19 1HD ARG 19 9.659 -1.893 -3.624 158 HD3 ARG 19 2HD ARG 19 9.726 -0.444 -2.621 159 HE ARG 19 HE ARG 19 11.273 -2.568 -1.521 160 HH11 ARG 19 1HH1 ARG 19 11.273 -0.074 -3.950 161 HH12 ARG 19 2HH1 ARG 19 13.000 0.067 -3.991 162 HH21 ARG 19 1HH2 ARG 19 13.547 -2.392 -1.566 163 HH22 ARG 19 2HH2 ARG 19 14.292 -1.252 -2.635 164 H LEU 20 H LEU 20 6.564 0.038 0.953 165 HA LEU 20 HA LEU 20 4.969 0.483 -1.403 166 HB2 LEU 20 1HB LEU 20 3.998 -0.897 0.244 167 HB3 LEU 20 2HB LEU 20 4.349 0.260 1.527 168 HG LEU 20 HG LEU 20 2.656 1.785 0.560 169 HD11 LEU 20 1HD1 LEU 20 1.205 1.111 -1.181 170 HD12 LEU 20 2HD1 LEU 20 1.856 -0.529 -1.186 171 HD13 LEU 20 3HD1 LEU 20 2.846 0.813 -1.757 172 HD21 LEU 20 3HD2 LEU 20 2.019 -0.931 1.584 173 HD22 LEU 20 1HD2 LEU 20 0.690 0.074 1.005 174 HD23 LEU 20 2HD2 LEU 20 1.728 0.651 2.309 175 H LYS 21 H LYS 21 6.392 2.415 1.091 176 HA LYS 21 HA LYS 21 4.742 4.685 0.951 177 HB2 LYS 21 1HB LYS 21 6.707 4.047 2.580 178 HB3 LYS 21 2HB LYS 21 7.687 4.941 1.425 179 HG2 LYS 21 1HG LYS 21 5.213 6.232 2.436 180 HG3 LYS 21 2HG LYS 21 6.592 6.098 3.531 181 HD2 LYS 21 1HD LYS 21 7.507 7.872 2.553 182 HD3 LYS 21 2HD LYS 21 7.597 6.969 1.039 183 HE2 LYS 21 1HE LYS 21 5.492 7.780 0.324 184 HE3 LYS 21 2HE LYS 21 5.108 8.407 1.927 185 HZ1 LYS 21 3HZ LYS 21 6.018 9.934 -0.021 186 HZ2 LYS 21 1HZ LYS 21 7.500 9.465 0.646 187 HZ3 LYS 21 2HZ LYS 21 6.351 10.249 1.607 188 H ARG 22 H ARG 22 7.836 4.010 -0.690 189 HA ARG 22 HA ARG 22 7.980 6.335 -2.203 190 HB2 ARG 22 1HB ARG 22 9.456 5.064 -3.714 191 HB3 ARG 22 2HB ARG 22 9.851 4.797 -2.022 192 HG2 ARG 22 1HG ARG 22 9.546 2.611 -2.222 193 HG3 ARG 22 2HG ARG 22 7.956 2.838 -2.953 194 HD2 ARG 22 1HD ARG 22 9.317 1.662 -4.520 195 HD3 ARG 22 2HD ARG 22 9.105 3.307 -5.120 196 HE ARG 22 HE ARG 22 11.490 2.985 -3.568 197 HH11 ARG 22 1HH1 ARG 22 10.087 2.573 -6.728 198 HH12 ARG 22 2HH1 ARG 22 11.604 2.682 -7.559 199 HH21 ARG 22 1HH2 ARG 22 13.492 3.132 -4.651 200 HH22 ARG 22 2HH2 ARG 22 13.540 3.000 -6.376 201 H VAL 23 H VAL 23 5.984 3.535 -2.605 202 HA VAL 23 HA VAL 23 5.327 4.022 -5.358 203 HB VAL 23 HB VAL 23 3.789 2.340 -3.379 204 HG11 VAL 23 1HG1 VAL 23 2.850 3.021 -5.697 205 HG12 VAL 23 2HG1 VAL 23 4.013 1.851 -6.322 206 HG13 VAL 23 3HG1 VAL 23 2.761 1.334 -5.193 207 HG21 VAL 23 3HG2 VAL 23 5.544 0.977 -3.281 208 HG22 VAL 23 1HG2 VAL 23 5.365 0.696 -5.012 209 HG23 VAL 23 2HG2 VAL 23 6.438 1.969 -4.432 210 H ILE 24 H ILE 24 3.742 4.593 -2.238 211 HA ILE 24 HA ILE 24 1.348 5.657 -3.284 212 HB ILE 24 HB ILE 24 2.640 6.198 -0.609 213 HG12 ILE 24 1HG1 ILE 24 0.379 4.289 -1.167 214 HG13 ILE 24 2HG1 ILE 24 2.059 3.780 -1.298 215 HG21 ILE 24 1HG2 ILE 24 -0.206 6.606 -1.520 216 HG22 ILE 24 2HG2 ILE 24 0.392 6.828 0.123 217 HG23 ILE 24 3HG2 ILE 24 0.967 7.877 -1.171 218 HD11 ILE 24 3HD1 ILE 24 0.597 3.571 0.940 219 HD12 ILE 24 1HD1 ILE 24 2.352 3.736 0.928 220 HD13 ILE 24 2HD1 ILE 24 1.335 5.151 1.200 221 H ALA 25 H ALA 25 4.495 7.020 -2.758 222 HA ALA 25 HA ALA 25 3.626 9.761 -2.912 223 HB1 ALA 25 3HB ALA 25 6.438 8.751 -3.250 224 HB2 ALA 25 1HB ALA 25 5.909 10.349 -2.725 225 HB3 ALA 25 2HB ALA 25 5.671 8.952 -1.675 226 H LEU 26 H LEU 26 4.613 7.293 -5.132 227 HA LEU 26 HA LEU 26 5.084 9.170 -7.298 228 HB2 LEU 26 1HB LEU 26 6.188 6.801 -6.775 229 HB3 LEU 26 2HB LEU 26 4.862 6.257 -7.800 230 HG LEU 26 HG LEU 26 5.962 8.310 -9.263 231 HD11 LEU 26 1HD1 LEU 26 8.279 6.699 -8.246 232 HD12 LEU 26 2HD1 LEU 26 7.840 8.251 -7.535 233 HD13 LEU 26 3HD1 LEU 26 8.297 8.158 -9.236 234 HD21 LEU 26 3HD2 LEU 26 5.321 6.398 -10.393 235 HD22 LEU 26 1HD2 LEU 26 6.212 5.331 -9.308 236 HD23 LEU 26 2HD2 LEU 26 7.081 6.311 -10.489 237 H LYS 27 H LYS 27 2.851 6.467 -6.654 238 HA LYS 27 HA LYS 27 1.194 7.001 -8.894 239 HB2 LYS 27 1HB LYS 27 1.175 5.182 -6.585 240 HB3 LYS 27 2HB LYS 27 -0.426 5.638 -7.155 241 HG2 LYS 27 1HG LYS 27 0.246 3.607 -8.234 242 HG3 LYS 27 2HG LYS 27 0.215 4.906 -9.427 243 HD2 LYS 27 1HD LYS 27 2.800 4.974 -8.441 244 HD3 LYS 27 2HD LYS 27 2.431 3.250 -8.531 245 HE2 LYS 27 1HE LYS 27 3.257 3.661 -10.642 246 HE3 LYS 27 2HE LYS 27 1.523 3.851 -10.898 247 HZ1 LYS 27 3HZ LYS 27 2.671 6.311 -10.107 248 HZ2 LYS 27 1HZ LYS 27 1.838 5.935 -11.530 249 HZ3 LYS 27 2HZ LYS 27 3.509 5.695 -11.441 250 H LYS 28 H LYS 28 0.895 7.759 -5.437 251 HA LYS 28 HA LYS 28 -0.450 9.203 -4.301 252 HB2 LYS 28 1HB LYS 28 -0.064 10.671 -6.906 253 HB3 LYS 28 2HB LYS 28 -0.935 11.377 -5.551 254 HG2 LYS 28 1HG LYS 28 1.172 10.886 -4.183 255 HG3 LYS 28 2HG LYS 28 1.965 10.651 -5.742 256 HD2 LYS 28 1HD LYS 28 0.345 13.106 -5.448 257 HD3 LYS 28 2HD LYS 28 1.828 13.027 -4.494 258 HE2 LYS 28 1HE LYS 28 3.178 13.014 -6.342 259 HE3 LYS 28 2HE LYS 28 1.956 12.258 -7.364 260 HZ1 LYS 28 3HZ LYS 28 0.957 14.734 -6.610 261 HZ2 LYS 28 1HZ LYS 28 1.484 14.260 -8.146 262 HZ3 LYS 28 2HZ LYS 28 2.563 14.996 -7.071 263 HA PRO 29 HA PRO 29 -4.252 7.528 -6.413 264 HB2 PRO 29 1HB PRO 29 -5.112 6.098 -4.272 265 HB3 PRO 29 2HB PRO 29 -3.986 5.450 -5.470 266 HG2 PRO 29 1HG PRO 29 -3.418 6.605 -2.767 267 HG3 PRO 29 2HG PRO 29 -2.729 5.162 -3.535 268 HD2 PRO 29 1HD PRO 29 -1.422 7.532 -3.448 269 HD3 PRO 29 2HD PRO 29 -1.241 6.392 -4.796 270 H SER 30 H SER 30 -6.544 7.680 -5.567 271 HA SER 30 HA SER 30 -6.796 10.027 -3.802 272 HB2 SER 30 1HB SER 30 -8.634 9.216 -6.068 273 HB3 SER 30 2HB SER 30 -8.790 10.659 -5.065 274 HG SER 30 HG SER 30 -7.529 11.574 -6.462 275 H ALA 31 H ALA 31 -6.739 7.285 -2.930 276 HA ALA 31 HA ALA 31 -7.819 5.929 -1.454 277 HB1 ALA 31 3HB ALA 31 -9.902 8.094 -1.248 278 HB2 ALA 31 1HB ALA 31 -9.517 6.848 -0.060 279 HB3 ALA 31 2HB ALA 31 -8.358 8.135 -0.396 280 H SER 32 H SER 32 -8.232 4.499 -3.249 281 HA SER 32 HA SER 32 -11.048 3.950 -3.551 282 HB2 SER 32 1HB SER 32 -11.107 5.283 -5.429 283 HB3 SER 32 2HB SER 32 -9.399 5.037 -5.788 284 HG SER 32 HG SER 32 -10.825 3.958 -7.261 285 H ASP 33 H ASP 33 -11.416 1.815 -3.754 286 HA ASP 33 HA ASP 33 -9.462 -0.068 -3.254 287 HB2 ASP 33 1HB ASP 33 -11.093 -1.724 -3.660 288 HB3 ASP 33 2HB ASP 33 -12.005 -0.319 -3.116 289 H ALA 34 H ALA 34 -10.473 1.301 -6.295 290 HA ALA 34 HA ALA 34 -9.077 -0.655 -7.894 291 HB1 ALA 34 3HB ALA 34 -9.646 0.927 -9.770 292 HB2 ALA 34 1HB ALA 34 -11.021 0.274 -8.880 293 HB3 ALA 34 2HB ALA 34 -10.474 1.922 -8.572 294 H ASP 35 H ASP 35 -8.467 2.537 -6.596 295 HA ASP 35 HA ASP 35 -6.188 3.129 -8.182 296 HB2 ASP 35 1HB ASP 35 -7.379 4.229 -5.672 297 HB3 ASP 35 2HB ASP 35 -5.725 4.675 -6.085 298 H TRP 36 H TRP 36 -6.494 1.999 -4.815 299 HA TRP 36 HA TRP 36 -3.784 1.689 -4.277 300 HB2 TRP 36 1HB TRP 36 -6.286 0.499 -3.173 301 HB3 TRP 36 2HB TRP 36 -4.750 -0.234 -2.719 302 HD1 TRP 36 HD1 TRP 36 -6.880 2.852 -2.139 303 HE1 TRP 36 HE1 TRP 36 -5.821 4.266 -0.268 304 HE3 TRP 36 HE3 TRP 36 -2.432 0.375 -1.667 305 HZ2 TRP 36 HZ2 TRP 36 -3.418 4.325 1.212 306 HZ3 TRP 36 HZ3 TRP 36 -0.808 1.175 -0.001 307 HH2 TRP 36 HH2 TRP 36 -1.293 3.109 1.407 308 H THR 37 H THR 37 -5.913 -0.254 -6.189 309 HA THR 37 HA THR 37 -4.689 -2.734 -6.144 310 HB THR 37 HB THR 37 -5.867 -1.396 -8.587 311 HG1 THR 37 HG1 THR 37 -7.820 -2.230 -7.872 312 HG21 THR 37 3HG2 THR 37 -6.485 -3.879 -9.021 313 HG22 THR 37 1HG2 THR 37 -5.177 -4.229 -7.892 314 HG23 THR 37 2HG2 THR 37 -4.846 -3.331 -9.374 315 H GLU 38 H GLU 38 -4.021 -0.064 -8.416 316 HA GLU 38 HA GLU 38 -1.855 -1.313 -9.698 317 HB2 GLU 38 1HB GLU 38 -3.251 1.071 -9.987 318 HB3 GLU 38 2HB GLU 38 -1.620 1.586 -9.579 319 HG2 GLU 38 1HG GLU 38 -1.620 1.495 -11.897 320 HG3 GLU 38 2HG GLU 38 -0.848 -0.015 -11.414 321 H VAL 39 H VAL 39 -1.974 0.943 -6.967 322 HA VAL 39 HA VAL 39 0.752 1.347 -6.606 323 HB VAL 39 HB VAL 39 -1.284 1.127 -4.387 324 HG11 VAL 39 1HG1 VAL 39 1.206 1.255 -3.856 325 HG12 VAL 39 2HG1 VAL 39 1.137 2.899 -4.492 326 HG13 VAL 39 3HG1 VAL 39 0.158 2.452 -3.095 327 HG21 VAL 39 3HG2 VAL 39 -2.327 2.886 -5.254 328 HG22 VAL 39 1HG2 VAL 39 -0.837 3.817 -5.098 329 HG23 VAL 39 2HG2 VAL 39 -1.180 2.943 -6.591 330 H LEU 40 H LEU 40 -1.329 -1.101 -5.063 331 HA LEU 40 HA LEU 40 0.863 -2.415 -3.786 332 HB2 LEU 40 1HB LEU 40 -0.700 -3.643 -2.736 333 HB3 LEU 40 2HB LEU 40 -1.778 -2.385 -3.339 334 HG LEU 40 HG LEU 40 -1.984 -4.054 -5.387 335 HD11 LEU 40 1HD1 LEU 40 -1.325 -6.158 -5.071 336 HD12 LEU 40 2HD1 LEU 40 -1.970 -6.203 -3.431 337 HD13 LEU 40 3HD1 LEU 40 -0.363 -5.541 -3.729 338 HD21 LEU 40 3HD2 LEU 40 -4.017 -3.678 -4.515 339 HD22 LEU 40 1HD2 LEU 40 -3.428 -3.736 -2.854 340 HD23 LEU 40 2HD2 LEU 40 -3.773 -5.234 -3.718 341 H ARG 41 H ARG 41 -0.501 -2.528 -6.917 342 HA ARG 41 HA ARG 41 -0.128 -5.124 -7.751 343 HB2 ARG 41 1HB ARG 41 -1.030 -3.121 -9.066 344 HB3 ARG 41 2HB ARG 41 0.647 -2.760 -9.451 345 HG2 ARG 41 1HG ARG 41 -0.388 -3.991 -11.254 346 HG3 ARG 41 2HG ARG 41 0.874 -4.963 -10.496 347 HD2 ARG 41 1HD ARG 41 -1.705 -5.373 -9.242 348 HD3 ARG 41 2HD ARG 41 -1.755 -5.720 -10.970 349 HE ARG 41 HE ARG 41 0.515 -6.940 -9.859 350 HH11 ARG 41 1HH1 ARG 41 -2.956 -7.205 -9.828 351 HH12 ARG 41 2HH1 ARG 41 -2.953 -8.909 -9.515 352 HH21 ARG 41 1HH2 ARG 41 0.532 -9.183 -9.446 353 HH22 ARG 41 2HH2 ARG 41 -0.969 -10.033 -9.297 354 H LEU 42 H LEU 42 2.282 -2.502 -7.983 355 HA LEU 42 HA LEU 42 4.401 -4.077 -8.890 356 HB2 LEU 42 1HB LEU 42 4.065 -1.415 -7.722 357 HB3 LEU 42 2HB LEU 42 5.639 -2.140 -7.407 358 HG LEU 42 HG LEU 42 6.038 -2.367 -9.795 359 HD11 LEU 42 1HD1 LEU 42 3.297 -1.149 -10.080 360 HD12 LEU 42 2HD1 LEU 42 3.812 -2.754 -10.599 361 HD13 LEU 42 3HD1 LEU 42 4.459 -1.319 -11.396 362 HD21 LEU 42 3HD2 LEU 42 5.244 0.335 -8.759 363 HD22 LEU 42 1HD2 LEU 42 5.923 0.127 -10.374 364 HD23 LEU 42 2HD2 LEU 42 6.859 -0.347 -8.957 365 H LEU 43 H LEU 43 2.998 -3.801 -5.758 366 HA LEU 43 HA LEU 43 5.305 -4.980 -4.426 367 HB2 LEU 43 1HB LEU 43 3.351 -3.236 -3.605 368 HB3 LEU 43 2HB LEU 43 2.825 -4.761 -2.897 369 HG LEU 43 HG LEU 43 5.440 -3.335 -2.423 370 HD11 LEU 43 1HD1 LEU 43 3.147 -2.727 -1.281 371 HD12 LEU 43 2HD1 LEU 43 4.646 -2.780 -0.355 372 HD13 LEU 43 3HD1 LEU 43 3.525 -4.140 -0.295 373 HD21 LEU 43 3HD2 LEU 43 6.051 -5.590 -2.418 374 HD22 LEU 43 1HD2 LEU 43 4.528 -6.097 -1.688 375 HD23 LEU 43 2HD2 LEU 43 5.722 -5.230 -0.722 376 H ALA 44 H ALA 44 2.529 -6.004 -6.048 377 HA ALA 44 HA ALA 44 1.627 -8.207 -4.657 378 HB1 ALA 44 3HB ALA 44 1.971 -8.057 -7.647 379 HB2 ALA 44 1HB ALA 44 0.843 -9.082 -6.758 380 HB3 ALA 44 2HB ALA 44 0.638 -7.329 -6.750 381 H LYS 45 H LYS 45 4.639 -7.764 -6.307 382 HA LYS 45 HA LYS 45 5.407 -10.372 -6.850 383 HB2 LYS 45 1HB LYS 45 6.616 -7.880 -6.925 384 HB3 LYS 45 2HB LYS 45 7.583 -8.765 -5.753 385 HG2 LYS 45 1HG LYS 45 7.699 -10.615 -7.508 386 HG3 LYS 45 2HG LYS 45 7.096 -9.403 -8.641 387 HD2 LYS 45 1HD LYS 45 9.411 -8.673 -6.926 388 HD3 LYS 45 2HD LYS 45 9.692 -9.801 -8.255 389 HE2 LYS 45 1HE LYS 45 8.968 -8.232 -9.865 390 HE3 LYS 45 2HE LYS 45 8.272 -7.178 -8.635 391 HZ1 LYS 45 3HZ LYS 45 10.329 -6.401 -8.010 392 HZ2 LYS 45 1HZ LYS 45 10.548 -6.596 -9.676 393 HZ3 LYS 45 2HZ LYS 45 11.157 -7.751 -8.603 394 H GLU 46 H GLU 46 5.083 -8.754 -3.808 395 HA GLU 46 HA GLU 46 6.509 -10.893 -2.408 396 HB2 GLU 46 1HB GLU 46 5.356 -8.295 -1.379 397 HB3 GLU 46 2HB GLU 46 6.237 -9.464 -0.405 398 HG2 GLU 46 1HG GLU 46 7.425 -8.145 -2.825 399 HG3 GLU 46 2HG GLU 46 7.534 -7.455 -1.207 400 H GLY 47 H GLY 47 3.934 -11.341 -3.722 401 HA2 GLY 47 1HA GLY 47 1.912 -12.347 -3.307 402 HA3 GLY 47 2HA GLY 47 2.684 -12.955 -1.850 403 H VAL 48 H VAL 48 1.713 -9.682 -2.862 404 HA VAL 48 HA VAL 48 0.628 -9.160 -0.240 405 HB VAL 48 HB VAL 48 0.645 -7.448 -2.729 406 HG11 VAL 48 1HG1 VAL 48 0.284 -5.630 -0.907 407 HG12 VAL 48 2HG1 VAL 48 -1.098 -6.556 -1.495 408 HG13 VAL 48 3HG1 VAL 48 -0.352 -6.968 0.048 409 HG21 VAL 48 3HG2 VAL 48 2.383 -7.364 -0.264 410 HG22 VAL 48 1HG2 VAL 48 2.878 -7.926 -1.861 411 HG23 VAL 48 2HG2 VAL 48 2.450 -6.232 -1.615 412 H VAL 49 H VAL 49 -1.512 -8.797 0.290 413 HA VAL 49 HA VAL 49 -3.446 -10.180 -1.342 414 HB VAL 49 HB VAL 49 -5.038 -9.614 0.494 415 HG11 VAL 49 1HG1 VAL 49 -4.377 -11.485 1.506 416 HG12 VAL 49 2HG1 VAL 49 -2.953 -11.445 0.465 417 HG13 VAL 49 3HG1 VAL 49 -2.887 -10.733 2.077 418 HG21 VAL 49 3HG2 VAL 49 -3.842 -7.490 1.123 419 HG22 VAL 49 1HG2 VAL 49 -4.310 -8.521 2.475 420 HG23 VAL 49 2HG2 VAL 49 -2.635 -8.495 1.925 421 H GLU 50 H GLU 50 -5.714 -9.088 -1.452 422 HA GLU 50 HA GLU 50 -5.702 -7.108 -3.333 423 HB2 GLU 50 1HB GLU 50 -8.066 -6.568 -2.421 424 HB3 GLU 50 2HB GLU 50 -7.750 -8.174 -3.060 425 HG2 GLU 50 1HG GLU 50 -7.261 -7.847 -0.181 426 HG3 GLU 50 2HG GLU 50 -8.940 -7.683 -0.693 427 HA PRO 51 HA PRO 51 -4.802 -3.247 -1.455 428 HB2 PRO 51 1HB PRO 51 -6.501 -1.571 -2.747 429 HB3 PRO 51 2HB PRO 51 -5.086 -2.289 -3.524 430 HG2 PRO 51 1HG PRO 51 -7.955 -3.131 -3.666 431 HG3 PRO 51 2HG PRO 51 -6.755 -3.022 -4.967 432 HD2 PRO 51 1HD PRO 51 -7.419 -5.369 -3.790 433 HD3 PRO 51 2HD PRO 51 -5.791 -5.041 -4.418 434 H GLU 52 H GLU 52 -8.033 -4.484 -1.309 435 HA GLU 52 HA GLU 52 -9.287 -2.509 0.223 436 HB2 GLU 52 1HB GLU 52 -9.977 -5.004 -0.781 437 HB3 GLU 52 2HB GLU 52 -10.087 -5.210 0.961 438 HG2 GLU 52 1HG GLU 52 -12.036 -4.176 0.989 439 HG3 GLU 52 2HG GLU 52 -11.313 -2.741 0.263 440 H VAL 53 H VAL 53 -7.166 -5.153 1.144 441 HA VAL 53 HA VAL 53 -7.531 -4.637 3.978 442 HB VAL 53 HB VAL 53 -5.608 -6.526 2.611 443 HG11 VAL 53 1HG1 VAL 53 -6.229 -7.440 5.171 444 HG12 VAL 53 2HG1 VAL 53 -4.704 -6.731 4.633 445 HG13 VAL 53 3HG1 VAL 53 -5.947 -5.709 5.358 446 HG21 VAL 53 3HG2 VAL 53 -8.467 -6.736 3.314 447 HG22 VAL 53 1HG2 VAL 53 -7.537 -7.569 2.067 448 HG23 VAL 53 2HG2 VAL 53 -7.460 -8.121 3.739 449 H VAL 54 H VAL 54 -4.899 -4.432 1.594 450 HA VAL 54 HA VAL 54 -2.867 -3.502 3.210 451 HB VAL 54 HB VAL 54 -3.447 -2.658 0.366 452 HG11 VAL 54 1HG1 VAL 54 -1.339 -1.940 2.226 453 HG12 VAL 54 2HG1 VAL 54 -0.708 -2.681 0.754 454 HG13 VAL 54 3HG1 VAL 54 -1.739 -1.253 0.652 455 HG21 VAL 54 3HG2 VAL 54 -1.518 -4.784 1.246 456 HG22 VAL 54 1HG2 VAL 54 -3.213 -5.149 0.927 457 HG23 VAL 54 2HG2 VAL 54 -2.195 -4.500 -0.357 458 H ARG 55 H ARG 55 -5.661 -1.797 1.999 459 HA ARG 55 HA ARG 55 -4.832 0.842 2.332 460 HB2 ARG 55 1HB ARG 55 -6.916 0.250 1.208 461 HB3 ARG 55 2HB ARG 55 -7.583 -0.348 2.722 462 HG2 ARG 55 1HG ARG 55 -7.847 1.778 3.598 463 HG3 ARG 55 2HG ARG 55 -6.670 2.488 2.491 464 HD2 ARG 55 1HD ARG 55 -8.841 3.185 1.787 465 HD3 ARG 55 2HD ARG 55 -8.253 2.000 0.622 466 HE ARG 55 HE ARG 55 -9.793 0.730 2.625 467 HH11 ARG 55 1HH1 ARG 55 -10.097 2.771 -0.179 468 HH12 ARG 55 2HH1 ARG 55 -11.695 2.225 -0.565 469 HH21 ARG 55 1HH2 ARG 55 -11.897 0.003 2.128 470 HH22 ARG 55 2HH2 ARG 55 -12.719 0.651 0.748 471 H GLN 56 H GLN 56 -6.828 -1.045 4.614 472 HA GLN 56 HA GLN 56 -6.698 0.750 6.733 473 HB2 GLN 56 1HB GLN 56 -8.227 -1.218 6.570 474 HB3 GLN 56 2HB GLN 56 -6.864 -2.258 6.957 475 HG2 GLN 56 1HG GLN 56 -8.121 -1.924 8.945 476 HG3 GLN 56 2HG GLN 56 -6.613 -1.023 9.100 477 HE21 GLN 56 2HE2 GLN 56 -6.657 1.215 9.090 478 HE22 GLN 56 1HE2 GLN 56 -8.116 2.114 9.298 479 H ILE 57 H ILE 57 -4.341 -1.498 5.570 480 HA ILE 57 HA ILE 57 -2.768 -1.584 7.962 481 HB ILE 57 HB ILE 57 -2.020 -2.289 5.121 482 HG12 ILE 57 1HG1 ILE 57 -3.861 -3.644 6.081 483 HG13 ILE 57 2HG1 ILE 57 -2.406 -4.594 5.799 484 HG21 ILE 57 1HG2 ILE 57 0.018 -1.939 6.194 485 HG22 ILE 57 2HG2 ILE 57 -0.569 -2.586 7.726 486 HG23 ILE 57 3HG2 ILE 57 -0.252 -3.672 6.373 487 HD11 ILE 57 3HD1 ILE 57 -2.305 -5.184 7.927 488 HD12 ILE 57 1HD1 ILE 57 -2.417 -3.507 8.462 489 HD13 ILE 57 2HD1 ILE 57 -3.885 -4.432 8.143 490 H ALA 58 H ALA 58 -2.390 0.050 4.819 491 HA ALA 58 HA ALA 58 -0.039 1.442 5.453 492 HB1 ALA 58 3HB ALA 58 -0.343 1.588 3.226 493 HB2 ALA 58 1HB ALA 58 -2.102 1.596 3.359 494 HB3 ALA 58 2HB ALA 58 -1.189 3.078 3.642 495 H ILE 59 H ILE 59 -3.269 1.919 6.475 496 HA ILE 59 HA ILE 59 -2.990 4.729 7.065 497 HB ILE 59 HB ILE 59 -5.121 2.761 7.906 498 HG12 ILE 59 1HG1 ILE 59 -5.525 4.946 5.906 499 HG13 ILE 59 2HG1 ILE 59 -4.704 3.476 5.397 500 HG21 ILE 59 1HG2 ILE 59 -6.280 5.205 8.036 501 HG22 ILE 59 2HG2 ILE 59 -5.583 4.360 9.417 502 HG23 ILE 59 3HG2 ILE 59 -4.641 5.583 8.564 503 HD11 ILE 59 3HD1 ILE 59 -6.656 2.489 5.121 504 HD12 ILE 59 1HD1 ILE 59 -7.024 2.720 6.830 505 HD13 ILE 59 2HD1 ILE 59 -7.478 3.955 5.654 506 H THR 60 H THR 60 -3.103 1.711 8.934 507 HA THR 60 HA THR 60 -2.491 3.118 11.395 508 HB THR 60 HB THR 60 -4.058 1.200 11.411 509 HG1 THR 60 HG1 THR 60 -3.367 1.078 13.401 510 HG21 THR 60 3HG2 THR 60 -3.553 -0.851 10.633 511 HG22 THR 60 1HG2 THR 60 -1.919 -0.807 11.295 512 HG23 THR 60 2HG2 THR 60 -2.269 -0.024 9.754 513 H ARG 61 H ARG 61 -0.705 2.120 8.827 514 HA ARG 61 HA ARG 61 1.657 1.560 10.499 515 HB2 ARG 61 1HB ARG 61 1.074 0.680 7.665 516 HB3 ARG 61 2HB ARG 61 2.597 0.412 8.504 517 HG2 ARG 61 1HG ARG 61 -0.068 -0.651 9.414 518 HG3 ARG 61 2HG ARG 61 1.123 -1.565 8.487 519 HD2 ARG 61 1HD ARG 61 1.640 -0.319 11.183 520 HD3 ARG 61 2HD ARG 61 1.194 -2.006 10.932 521 HE ARG 61 HE ARG 61 3.396 -1.594 9.345 522 HH11 ARG 61 1HH1 ARG 61 2.657 -1.293 12.734 523 HH12 ARG 61 2HH1 ARG 61 4.273 -1.649 13.252 524 HH21 ARG 61 1HH2 ARG 61 5.525 -2.065 10.014 525 HH22 ARG 61 2HH2 ARG 61 5.902 -2.087 11.703 526 H LEU 62 H LEU 62 0.652 3.024 7.412 527 HA LEU 62 HA LEU 62 3.046 4.701 7.438 528 HB2 LEU 62 1HB LEU 62 1.325 3.597 5.411 529 HB3 LEU 62 2HB LEU 62 1.469 5.342 5.214 530 HG LEU 62 HG LEU 62 3.757 3.374 5.286 531 HD11 LEU 62 1HD1 LEU 62 3.958 3.679 2.963 532 HD12 LEU 62 2HD1 LEU 62 2.823 5.028 2.959 533 HD13 LEU 62 3HD1 LEU 62 2.242 3.389 3.250 534 HD21 LEU 62 3HD2 LEU 62 4.368 5.983 4.244 535 HD22 LEU 62 1HD2 LEU 62 5.141 5.090 5.555 536 HD23 LEU 62 2HD2 LEU 62 3.739 6.108 5.888 537 H LYS 63 H LYS 63 0.293 4.901 8.980 538 HA LYS 63 HA LYS 63 -1.084 6.551 9.744 539 HB2 LYS 63 1HB LYS 63 1.515 7.976 9.261 540 HB3 LYS 63 2HB LYS 63 0.114 8.855 9.858 541 HG2 LYS 63 1HG LYS 63 0.564 6.428 11.363 542 HG3 LYS 63 2HG LYS 63 1.984 7.477 11.367 543 HD2 LYS 63 1HD LYS 63 0.936 9.116 12.541 544 HD3 LYS 63 2HD LYS 63 -0.638 8.776 11.820 545 HE2 LYS 63 1HE LYS 63 -1.138 7.862 13.801 546 HE3 LYS 63 2HE LYS 63 -0.160 6.500 13.258 547 HZ1 LYS 63 3HZ LYS 63 1.775 7.801 14.272 548 HZ2 LYS 63 1HZ LYS 63 0.707 7.021 15.328 549 HZ3 LYS 63 2HZ LYS 63 0.589 8.691 15.087 550 H TRP 64 H TRP 64 -1.189 5.950 6.883 551 HA TRP 64 HA TRP 64 -1.443 8.293 5.344 552 HB2 TRP 64 1HB TRP 64 -1.270 5.983 4.417 553 HB3 TRP 64 2HB TRP 64 -2.917 5.679 4.962 554 HD1 TRP 64 HD1 TRP 64 -1.207 8.400 2.762 555 HE1 TRP 64 HE1 TRP 64 -2.735 8.839 0.736 556 HE3 TRP 64 HE3 TRP 64 -5.002 5.166 3.889 557 HZ2 TRP 64 HZ2 TRP 64 -5.219 7.935 -0.252 558 HZ3 TRP 64 HZ3 TRP 64 -6.917 5.013 2.352 559 HH2 TRP 64 HH2 TRP 64 -7.022 6.370 0.326 560 H VAL 65 H VAL 65 -3.267 9.476 4.711 561 HA VAL 65 HA VAL 65 -5.750 9.027 6.196 562 HB VAL 65 HB VAL 65 -5.884 11.524 6.617 563 HG11 VAL 65 1HG1 VAL 65 -3.786 9.905 8.056 564 HG12 VAL 65 2HG1 VAL 65 -4.506 11.396 8.666 565 HG13 VAL 65 3HG1 VAL 65 -5.510 9.966 8.423 566 HG21 VAL 65 3HG2 VAL 65 -4.219 12.899 6.060 567 HG22 VAL 65 1HG2 VAL 65 -3.005 11.832 6.766 568 HG23 VAL 65 2HG2 VAL 65 -3.558 11.567 5.112 569 H GLU 66 H GLU 66 -7.362 8.994 4.787 570 HA GLU 66 HA GLU 66 -7.205 9.587 2.101 571 HB2 GLU 66 1HB GLU 66 -9.477 9.321 4.020 572 HB3 GLU 66 2HB GLU 66 -9.809 9.922 2.401 573 HG2 GLU 66 1HG GLU 66 -9.961 7.811 1.759 574 HG3 GLU 66 2HG GLU 66 -8.215 7.698 1.981 575 HA PRO 67 HA PRO 67 -7.475 13.935 1.583 576 HB2 PRO 67 1HB PRO 67 -9.100 14.162 -0.579 577 HB3 PRO 67 2HB PRO 67 -7.438 13.569 -0.685 578 HG2 PRO 67 1HG PRO 67 -10.000 12.021 -0.609 579 HG3 PRO 67 2HG PRO 67 -8.571 11.770 -1.629 580 HD2 PRO 67 1HD PRO 67 -9.061 10.289 0.585 581 HD3 PRO 67 2HD PRO 67 -7.415 10.680 0.042 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -13.064 -7.334 21.070 2 HA2 GLY 1 1HA GLY 1 -13.416 -7.835 23.305 3 HA3 GLY 1 2HA GLY 1 -13.601 -9.454 22.647 4 HA PRO 2 HA PRO 2 -10.069 -10.896 24.796 5 HB2 PRO 2 1HB PRO 2 -8.726 -12.374 22.957 6 HB3 PRO 2 2HB PRO 2 -10.260 -12.889 23.668 7 HG2 PRO 2 1HG PRO 2 -9.740 -11.590 21.022 8 HG3 PRO 2 2HG PRO 2 -10.822 -12.940 21.412 9 HD2 PRO 2 1HD PRO 2 -11.717 -10.406 21.076 10 HD3 PRO 2 2HD PRO 2 -12.481 -11.547 22.202 11 H LEU 3 H LEU 3 -9.461 -9.193 21.803 12 HA LEU 3 HA LEU 3 -7.792 -7.806 21.129 13 HB2 LEU 3 1HB LEU 3 -8.258 -7.128 23.667 14 HB3 LEU 3 2HB LEU 3 -6.590 -7.673 23.834 15 HG LEU 3 HG LEU 3 -7.290 -5.666 21.732 16 HD11 LEU 3 1HD1 LEU 3 -8.139 -4.348 23.346 17 HD12 LEU 3 2HD1 LEU 3 -6.441 -4.088 23.744 18 HD13 LEU 3 3HD1 LEU 3 -7.387 -5.271 24.647 19 HD21 LEU 3 3HD2 LEU 3 -4.937 -6.898 22.719 20 HD22 LEU 3 1HD2 LEU 3 -4.866 -5.186 23.135 21 HD23 LEU 3 2HD2 LEU 3 -5.090 -5.678 21.455 22 H GLY 4 H GLY 4 -6.535 -9.083 19.858 23 HA2 GLY 4 1HA GLY 4 -4.184 -9.645 19.551 24 HA3 GLY 4 2HA GLY 4 -4.199 -10.315 21.176 25 H SER 5 H SER 5 -6.645 -10.793 18.677 26 HA SER 5 HA SER 5 -5.793 -13.599 18.442 27 HB2 SER 5 1HB SER 5 -8.115 -12.722 19.761 28 HB3 SER 5 2HB SER 5 -8.665 -13.350 18.208 29 HG SER 5 HG SER 5 -8.494 -14.941 19.915 30 H VAL 6 H VAL 6 -5.445 -11.225 16.720 31 HA VAL 6 HA VAL 6 -6.737 -12.309 14.307 32 HB VAL 6 HB VAL 6 -6.292 -9.366 14.818 33 HG11 VAL 6 1HG1 VAL 6 -7.424 -8.979 12.780 34 HG12 VAL 6 2HG1 VAL 6 -6.236 -10.241 12.443 35 HG13 VAL 6 3HG1 VAL 6 -7.936 -10.663 12.658 36 HG21 VAL 6 3HG2 VAL 6 -8.043 -10.315 16.283 37 HG22 VAL 6 1HG2 VAL 6 -8.684 -9.168 15.106 38 HG23 VAL 6 2HG2 VAL 6 -8.890 -10.902 14.852 39 H ALA 7 H ALA 7 -4.964 -13.352 13.512 40 HA ALA 7 HA ALA 7 -2.558 -11.720 13.031 41 HB1 ALA 7 3HB ALA 7 -2.815 -14.251 14.225 42 HB2 ALA 7 1HB ALA 7 -2.067 -14.514 12.649 43 HB3 ALA 7 2HB ALA 7 -1.331 -13.399 13.801 44 H LYS 8 H LYS 8 -2.213 -11.142 10.998 45 HA LYS 8 HA LYS 8 -3.736 -12.353 8.854 46 HB2 LYS 8 1HB LYS 8 -2.296 -9.857 9.293 47 HB3 LYS 8 2HB LYS 8 -1.971 -10.543 7.706 48 HG2 LYS 8 1HG LYS 8 -4.785 -10.649 8.311 49 HG3 LYS 8 2HG LYS 8 -4.162 -9.004 8.464 50 HD2 LYS 8 1HD LYS 8 -3.386 -8.988 6.233 51 HD3 LYS 8 2HD LYS 8 -3.577 -10.735 6.074 52 HE2 LYS 8 1HE LYS 8 -5.856 -8.808 6.497 53 HE3 LYS 8 2HE LYS 8 -5.336 -9.392 4.917 54 HZ1 LYS 8 3HZ LYS 8 -6.683 -10.845 7.084 55 HZ2 LYS 8 1HZ LYS 8 -5.661 -11.701 6.043 56 HZ3 LYS 8 2HZ LYS 8 -6.993 -10.864 5.421 57 H LYS 9 H LYS 9 -2.436 -12.616 6.702 58 HA LYS 9 HA LYS 9 -0.255 -14.482 7.294 59 HB2 LYS 9 1HB LYS 9 -2.468 -14.588 5.550 60 HB3 LYS 9 2HB LYS 9 -1.044 -14.458 4.525 61 HG2 LYS 9 1HG LYS 9 -0.080 -16.417 5.510 62 HG3 LYS 9 2HG LYS 9 -1.367 -16.497 6.715 63 HD2 LYS 9 1HD LYS 9 -2.776 -16.480 4.371 64 HD3 LYS 9 2HD LYS 9 -1.335 -17.396 3.928 65 HE2 LYS 9 1HE LYS 9 -1.752 -19.049 5.517 66 HE3 LYS 9 2HE LYS 9 -2.838 -18.016 6.445 67 HZ1 LYS 9 3HZ LYS 9 -3.573 -19.894 4.601 68 HZ2 LYS 9 1HZ LYS 9 -3.771 -18.428 3.780 69 HZ3 LYS 9 2HZ LYS 9 -4.567 -18.689 5.249 70 H ILE 10 H ILE 10 0.017 -11.524 7.209 71 HA ILE 10 HA ILE 10 2.208 -11.437 5.257 72 HB ILE 10 HB ILE 10 0.281 -9.154 5.693 73 HG12 ILE 10 1HG1 ILE 10 -0.750 -11.020 4.443 74 HG13 ILE 10 2HG1 ILE 10 -0.521 -9.598 3.432 75 HG21 ILE 10 1HG2 ILE 10 2.388 -8.255 5.161 76 HG22 ILE 10 2HG2 ILE 10 2.709 -9.507 3.962 77 HG23 ILE 10 3HG2 ILE 10 1.493 -8.271 3.642 78 HD11 ILE 10 3HD1 ILE 10 0.341 -12.233 2.962 79 HD12 ILE 10 1HD1 ILE 10 0.624 -10.799 1.977 80 HD13 ILE 10 2HD1 ILE 10 1.784 -11.254 3.225 81 H THR 11 H THR 11 4.055 -10.667 6.068 82 HA THR 11 HA THR 11 4.008 -9.566 8.784 83 HB THR 11 HB THR 11 6.474 -10.438 7.290 84 HG1 THR 11 HG1 THR 11 4.879 -12.063 9.003 85 HG21 THR 11 3HG2 THR 11 7.209 -10.910 9.670 86 HG22 THR 11 1HG2 THR 11 5.767 -10.040 10.191 87 HG23 THR 11 2HG2 THR 11 7.005 -9.210 9.248 88 H TRP 12 H TRP 12 3.683 -7.407 8.617 89 HA TRP 12 HA TRP 12 5.076 -5.846 6.611 90 HB2 TRP 12 1HB TRP 12 3.204 -5.014 8.838 91 HB3 TRP 12 2HB TRP 12 3.855 -3.930 7.612 92 HD1 TRP 12 HD1 TRP 12 0.919 -6.027 8.293 93 HE1 TRP 12 HE1 TRP 12 -0.500 -6.340 6.169 94 HE3 TRP 12 HE3 TRP 12 4.269 -4.331 4.825 95 HZ2 TRP 12 HZ2 TRP 12 -0.232 -5.923 3.389 96 HZ3 TRP 12 HZ3 TRP 12 3.610 -4.321 2.454 97 HH2 TRP 12 HH2 TRP 12 1.405 -5.102 1.754 98 H ARG 13 H ARG 13 7.205 -5.636 7.009 99 HA ARG 13 HA ARG 13 8.114 -5.048 9.722 100 HB2 ARG 13 1HB ARG 13 9.643 -5.681 7.192 101 HB3 ARG 13 2HB ARG 13 10.392 -5.343 8.746 102 HG2 ARG 13 1HG ARG 13 9.777 -7.353 9.640 103 HG3 ARG 13 2HG ARG 13 8.357 -7.502 8.604 104 HD2 ARG 13 1HD ARG 13 10.006 -9.132 7.942 105 HD3 ARG 13 2HD ARG 13 9.848 -7.913 6.679 106 HE ARG 13 HE ARG 13 11.939 -7.248 8.474 107 HH11 ARG 13 1HH1 ARG 13 11.136 -9.373 5.837 108 HH12 ARG 13 2HH1 ARG 13 12.776 -9.545 5.305 109 HH21 ARG 13 1HH2 ARG 13 14.102 -7.465 7.783 110 HH22 ARG 13 2HH2 ARG 13 14.463 -8.460 6.412 111 H LYS 14 H LYS 14 10.016 -3.427 9.795 112 HA LYS 14 HA LYS 14 9.017 -0.880 9.161 113 HB2 LYS 14 1HB LYS 14 11.158 -0.028 9.937 114 HB3 LYS 14 2HB LYS 14 10.601 -1.312 11.000 115 HG2 LYS 14 1HG LYS 14 12.106 -2.738 9.279 116 HG3 LYS 14 2HG LYS 14 12.958 -1.192 9.246 117 HD2 LYS 14 1HD LYS 14 13.113 -1.236 11.695 118 HD3 LYS 14 2HD LYS 14 12.281 -2.792 11.714 119 HE2 LYS 14 1HE LYS 14 14.098 -3.791 10.434 120 HE3 LYS 14 2HE LYS 14 14.919 -2.233 10.361 121 HZ1 LYS 14 3HZ LYS 14 14.579 -2.518 12.992 122 HZ2 LYS 14 1HZ LYS 14 15.968 -3.016 12.166 123 HZ3 LYS 14 2HZ LYS 14 14.758 -4.137 12.536 124 H GLN 15 H GLN 15 11.262 -2.999 7.487 125 HA GLN 15 HA GLN 15 12.015 -1.013 5.547 126 HB2 GLN 15 1HB GLN 15 12.401 -3.973 5.207 127 HB3 GLN 15 2HB GLN 15 13.396 -2.658 4.598 128 HG2 GLN 15 1HG GLN 15 13.530 -2.308 7.314 129 HG3 GLN 15 2HG GLN 15 13.501 -4.063 7.142 130 HE21 GLN 15 2HE2 GLN 15 15.329 -1.203 6.783 131 HE22 GLN 15 1HE2 GLN 15 16.782 -1.930 6.195 132 H ASP 16 H ASP 16 9.849 -3.804 5.647 133 HA ASP 16 HA ASP 16 9.102 -3.962 2.995 134 HB2 ASP 16 1HB ASP 16 8.398 -5.464 4.933 135 HB3 ASP 16 2HB ASP 16 7.144 -4.274 5.268 136 H LEU 17 H LEU 17 7.478 -2.059 5.538 137 HA LEU 17 HA LEU 17 5.606 -0.810 3.889 138 HB2 LEU 17 1HB LEU 17 6.855 -0.097 6.511 139 HB3 LEU 17 2HB LEU 17 5.769 1.037 5.711 140 HG LEU 17 HG LEU 17 4.810 -1.745 6.132 141 HD11 LEU 17 1HD1 LEU 17 5.946 -0.933 8.265 142 HD12 LEU 17 2HD1 LEU 17 4.263 -1.446 8.388 143 HD13 LEU 17 3HD1 LEU 17 4.660 0.272 8.348 144 HD21 LEU 17 3HD2 LEU 17 3.571 0.145 4.951 145 HD22 LEU 17 1HD2 LEU 17 3.382 0.863 6.551 146 HD23 LEU 17 2HD2 LEU 17 2.697 -0.727 6.212 147 H ASP 18 H ASP 18 8.958 -0.039 4.543 148 HA ASP 18 HA ASP 18 9.089 2.573 3.615 149 HB2 ASP 18 1HB ASP 18 10.912 0.762 4.526 150 HB3 ASP 18 2HB ASP 18 11.353 0.860 2.823 151 H ARG 19 H ARG 19 8.708 -0.394 1.859 152 HA ARG 19 HA ARG 19 9.426 0.717 -0.696 153 HB2 ARG 19 1HB ARG 19 9.410 -1.797 0.179 154 HB3 ARG 19 2HB ARG 19 7.782 -1.758 -0.485 155 HG2 ARG 19 1HG ARG 19 8.825 -0.911 -2.631 156 HG3 ARG 19 2HG ARG 19 10.383 -1.344 -1.924 157 HD2 ARG 19 1HD ARG 19 9.296 -3.650 -1.516 158 HD3 ARG 19 2HD ARG 19 8.098 -3.122 -2.697 159 HE ARG 19 HE ARG 19 10.742 -4.014 -3.236 160 HH11 ARG 19 1HH1 ARG 19 8.299 -1.773 -4.301 161 HH12 ARG 19 2HH1 ARG 19 8.870 -1.726 -5.936 162 HH21 ARG 19 1HH2 ARG 19 11.502 -3.960 -5.386 163 HH22 ARG 19 2HH2 ARG 19 10.691 -2.971 -6.552 164 H LEU 20 H LEU 20 6.381 -0.332 0.823 165 HA LEU 20 HA LEU 20 4.625 0.321 -1.203 166 HB2 LEU 20 1HB LEU 20 3.817 -0.860 0.680 167 HB3 LEU 20 2HB LEU 20 4.320 0.417 1.786 168 HG LEU 20 HG LEU 20 2.567 1.881 0.794 169 HD11 LEU 20 1HD1 LEU 20 1.222 1.255 -0.894 170 HD12 LEU 20 2HD1 LEU 20 1.139 -0.419 -0.350 171 HD13 LEU 20 3HD1 LEU 20 2.535 0.139 -1.270 172 HD21 LEU 20 3HD2 LEU 20 1.309 1.212 2.495 173 HD22 LEU 20 1HD2 LEU 20 2.312 -0.234 2.625 174 HD23 LEU 20 2HD2 LEU 20 0.854 -0.258 1.632 175 H LYS 21 H LYS 21 5.921 2.414 1.345 176 HA LYS 21 HA LYS 21 4.442 4.707 0.853 177 HB2 LYS 21 1HB LYS 21 6.098 4.284 2.732 178 HB3 LYS 21 2HB LYS 21 7.367 4.711 1.592 179 HG2 LYS 21 1HG LYS 21 5.909 6.871 1.271 180 HG3 LYS 21 2HG LYS 21 5.306 6.431 2.870 181 HD2 LYS 21 1HD LYS 21 8.239 6.363 2.504 182 HD3 LYS 21 2HD LYS 21 7.482 7.957 2.478 183 HE2 LYS 21 1HE LYS 21 6.276 7.123 4.626 184 HE3 LYS 21 2HE LYS 21 7.579 5.937 4.683 185 HZ1 LYS 21 3HZ LYS 21 8.890 8.263 4.250 186 HZ2 LYS 21 1HZ LYS 21 8.695 7.519 5.758 187 HZ3 LYS 21 2HZ LYS 21 7.636 8.747 5.278 188 H ARG 22 H ARG 22 7.529 3.710 -0.604 189 HA ARG 22 HA ARG 22 7.957 5.929 -2.219 190 HB2 ARG 22 1HB ARG 22 9.158 3.438 -1.849 191 HB3 ARG 22 2HB ARG 22 8.716 3.464 -3.552 192 HG2 ARG 22 1HG ARG 22 9.930 5.562 -3.839 193 HG3 ARG 22 2HG ARG 22 10.369 5.541 -2.130 194 HD2 ARG 22 1HD ARG 22 11.969 3.983 -2.430 195 HD3 ARG 22 2HD ARG 22 11.016 3.089 -3.615 196 HE ARG 22 HE ARG 22 12.031 5.588 -4.604 197 HH11 ARG 22 1HH1 ARG 22 12.724 2.212 -4.109 198 HH12 ARG 22 2HH1 ARG 22 13.914 2.138 -5.366 199 HH21 ARG 22 1HH2 ARG 22 13.596 5.504 -6.261 200 HH22 ARG 22 2HH2 ARG 22 14.410 4.011 -6.589 201 H VAL 23 H VAL 23 5.695 3.330 -2.557 202 HA VAL 23 HA VAL 23 5.151 3.846 -5.350 203 HB VAL 23 HB VAL 23 3.517 2.177 -3.440 204 HG11 VAL 23 1HG1 VAL 23 3.095 0.964 -5.691 205 HG12 VAL 23 2HG1 VAL 23 2.232 2.465 -5.347 206 HG13 VAL 23 3HG1 VAL 23 3.637 2.479 -6.414 207 HG21 VAL 23 3HG2 VAL 23 5.863 1.444 -3.437 208 HG22 VAL 23 1HG2 VAL 23 4.802 0.256 -4.192 209 HG23 VAL 23 2HG2 VAL 23 5.812 1.299 -5.193 210 H ILE 24 H ILE 24 3.482 4.343 -2.255 211 HA ILE 24 HA ILE 24 1.139 5.488 -3.260 212 HB ILE 24 HB ILE 24 2.508 6.084 -0.634 213 HG12 ILE 24 1HG1 ILE 24 0.285 4.123 -1.229 214 HG13 ILE 24 2HG1 ILE 24 1.980 3.670 -1.089 215 HG21 ILE 24 1HG2 ILE 24 -0.355 6.500 -1.480 216 HG22 ILE 24 2HG2 ILE 24 0.292 6.770 0.137 217 HG23 ILE 24 3HG2 ILE 24 0.841 7.766 -1.209 218 HD11 ILE 24 3HD1 ILE 24 0.143 4.703 1.040 219 HD12 ILE 24 1HD1 ILE 24 1.024 3.177 0.987 220 HD13 ILE 24 2HD1 ILE 24 1.896 4.690 1.233 221 H ALA 25 H ALA 25 4.295 6.879 -2.631 222 HA ALA 25 HA ALA 25 3.468 9.601 -2.919 223 HB1 ALA 25 3HB ALA 25 5.527 10.061 -2.204 224 HB2 ALA 25 1HB ALA 25 5.748 8.320 -2.019 225 HB3 ALA 25 2HB ALA 25 6.268 9.122 -3.501 226 H LEU 26 H LEU 26 4.355 7.070 -5.099 227 HA LEU 26 HA LEU 26 4.876 8.876 -7.308 228 HB2 LEU 26 1HB LEU 26 5.080 5.966 -6.824 229 HB3 LEU 26 2HB LEU 26 4.753 6.469 -8.481 230 HG LEU 26 HG LEU 26 7.048 7.662 -6.978 231 HD11 LEU 26 1HD1 LEU 26 7.598 5.434 -6.649 232 HD12 LEU 26 2HD1 LEU 26 8.403 5.819 -8.169 233 HD13 LEU 26 3HD1 LEU 26 6.884 4.925 -8.179 234 HD21 LEU 26 3HD2 LEU 26 7.964 7.926 -9.201 235 HD22 LEU 26 1HD2 LEU 26 6.339 8.610 -9.139 236 HD23 LEU 26 2HD2 LEU 26 6.607 7.039 -9.896 237 H LYS 27 H LYS 27 2.550 6.246 -6.670 238 HA LYS 27 HA LYS 27 0.863 6.980 -8.851 239 HB2 LYS 27 1HB LYS 27 0.385 5.175 -6.476 240 HB3 LYS 27 2HB LYS 27 -0.730 5.349 -7.824 241 HG2 LYS 27 1HG LYS 27 2.087 4.296 -7.959 242 HG3 LYS 27 2HG LYS 27 0.601 3.353 -8.090 243 HD2 LYS 27 1HD LYS 27 0.667 3.677 -10.290 244 HD3 LYS 27 2HD LYS 27 0.371 5.392 -9.994 245 HE2 LYS 27 1HE LYS 27 2.335 5.143 -11.372 246 HE3 LYS 27 2HE LYS 27 2.807 5.741 -9.782 247 HZ1 LYS 27 3HZ LYS 27 4.322 4.040 -10.429 248 HZ2 LYS 27 1HZ LYS 27 3.069 2.964 -10.798 249 HZ3 LYS 27 2HZ LYS 27 3.356 3.410 -9.192 250 H LYS 28 H LYS 28 0.651 7.385 -5.329 251 HA LYS 28 HA LYS 28 -0.574 8.790 -4.025 252 HB2 LYS 28 1HB LYS 28 -0.163 10.308 -6.540 253 HB3 LYS 28 2HB LYS 28 -1.412 10.910 -5.457 254 HG2 LYS 28 1HG LYS 28 0.951 10.297 -3.960 255 HG3 LYS 28 2HG LYS 28 1.353 11.352 -5.317 256 HD2 LYS 28 1HD LYS 28 -0.269 12.972 -4.618 257 HD3 LYS 28 2HD LYS 28 -0.897 11.882 -3.380 258 HE2 LYS 28 1HE LYS 28 1.833 12.080 -2.856 259 HE3 LYS 28 2HE LYS 28 1.331 13.719 -3.266 260 HZ1 LYS 28 3HZ LYS 28 -0.314 13.667 -1.567 261 HZ2 LYS 28 1HZ LYS 28 1.141 13.156 -0.872 262 HZ3 LYS 28 2HZ LYS 28 -0.054 12.024 -1.262 263 HA PRO 29 HA PRO 29 -4.496 6.997 -5.748 264 HB2 PRO 29 1HB PRO 29 -5.120 5.607 -3.501 265 HB3 PRO 29 2HB PRO 29 -4.078 4.959 -4.773 266 HG2 PRO 29 1HG PRO 29 -3.324 6.214 -2.163 267 HG3 PRO 29 2HG PRO 29 -2.652 4.773 -2.946 268 HD2 PRO 29 1HD PRO 29 -1.426 7.185 -3.038 269 HD3 PRO 29 2HD PRO 29 -1.320 6.009 -4.364 270 H SER 30 H SER 30 -6.711 7.072 -4.673 271 HA SER 30 HA SER 30 -6.900 9.360 -2.829 272 HB2 SER 30 1HB SER 30 -7.487 9.756 -5.355 273 HB3 SER 30 2HB SER 30 -8.984 8.921 -4.941 274 HG SER 30 HG SER 30 -8.070 11.424 -4.171 275 H ALA 31 H ALA 31 -6.915 6.722 -1.980 276 HA ALA 31 HA ALA 31 -8.076 5.276 -0.662 277 HB1 ALA 31 3HB ALA 31 -9.998 6.142 0.563 278 HB2 ALA 31 1HB ALA 31 -8.684 7.318 0.536 279 HB3 ALA 31 2HB ALA 31 -10.078 7.528 -0.524 280 H SER 32 H SER 32 -8.336 3.971 -2.617 281 HA SER 32 HA SER 32 -11.063 3.212 -2.995 282 HB2 SER 32 1HB SER 32 -11.262 4.944 -4.574 283 HB3 SER 32 2HB SER 32 -9.626 4.696 -5.185 284 HG SER 32 HG SER 32 -11.450 2.591 -5.408 285 H ASP 33 H ASP 33 -11.128 1.089 -3.357 286 HA ASP 33 HA ASP 33 -8.898 -0.538 -3.364 287 HB2 ASP 33 1HB ASP 33 -11.599 -1.186 -4.564 288 HB3 ASP 33 2HB ASP 33 -10.388 -2.355 -4.046 289 H ALA 34 H ALA 34 -10.503 1.010 -6.045 290 HA ALA 34 HA ALA 34 -9.254 -0.531 -8.098 291 HB1 ALA 34 3HB ALA 34 -11.386 0.769 -8.346 292 HB2 ALA 34 1HB ALA 34 -10.409 2.237 -8.371 293 HB3 ALA 34 2HB ALA 34 -10.205 1.018 -9.632 294 H ASP 35 H ASP 35 -8.736 2.818 -6.976 295 HA ASP 35 HA ASP 35 -6.481 3.355 -8.522 296 HB2 ASP 35 1HB ASP 35 -7.752 4.526 -6.137 297 HB3 ASP 35 2HB ASP 35 -6.028 4.855 -6.287 298 H TRP 36 H TRP 36 -6.793 1.754 -5.413 299 HA TRP 36 HA TRP 36 -4.055 1.722 -4.734 300 HB2 TRP 36 1HB TRP 36 -6.495 0.286 -3.842 301 HB3 TRP 36 2HB TRP 36 -4.951 -0.477 -3.474 302 HD1 TRP 36 HD1 TRP 36 -7.249 2.234 -2.310 303 HE1 TRP 36 HE1 TRP 36 -6.195 3.481 -0.320 304 HE3 TRP 36 HE3 TRP 36 -2.510 0.333 -2.578 305 HZ2 TRP 36 HZ2 TRP 36 -3.687 3.637 0.965 306 HZ3 TRP 36 HZ3 TRP 36 -0.843 1.084 -0.931 307 HH2 TRP 36 HH2 TRP 36 -1.421 2.702 0.803 308 H THR 37 H THR 37 -5.885 -0.069 -7.017 309 HA THR 37 HA THR 37 -4.452 -2.460 -7.163 310 HB THR 37 HB THR 37 -5.744 -0.963 -9.452 311 HG1 THR 37 HG1 THR 37 -6.953 -1.739 -7.388 312 HG21 THR 37 3HG2 THR 37 -4.660 -2.600 -10.598 313 HG22 THR 37 1HG2 THR 37 -6.043 -3.556 -10.066 314 HG23 THR 37 2HG2 THR 37 -4.517 -3.646 -9.186 315 H GLU 38 H GLU 38 -3.721 0.728 -8.405 316 HA GLU 38 HA GLU 38 -1.529 -0.184 -10.042 317 HB2 GLU 38 1HB GLU 38 -2.378 2.595 -9.211 318 HB3 GLU 38 2HB GLU 38 -1.087 2.245 -10.352 319 HG2 GLU 38 1HG GLU 38 -3.660 0.981 -10.972 320 HG3 GLU 38 2HG GLU 38 -3.657 2.743 -11.034 321 H VAL 39 H VAL 39 -1.999 0.837 -6.780 322 HA VAL 39 HA VAL 39 0.795 1.435 -6.312 323 HB VAL 39 HB VAL 39 -1.499 1.185 -4.361 324 HG11 VAL 39 1HG1 VAL 39 1.308 1.279 -3.920 325 HG12 VAL 39 2HG1 VAL 39 0.606 2.802 -3.373 326 HG13 VAL 39 3HG1 VAL 39 0.004 1.273 -2.732 327 HG21 VAL 39 3HG2 VAL 39 -1.491 3.046 -6.151 328 HG22 VAL 39 1HG2 VAL 39 -1.759 3.494 -4.466 329 HG23 VAL 39 2HG2 VAL 39 -0.175 3.738 -5.203 330 H LEU 40 H LEU 40 -1.472 -1.185 -5.683 331 HA LEU 40 HA LEU 40 0.418 -2.706 -4.132 332 HB2 LEU 40 1HB LEU 40 -1.307 -4.067 -3.643 333 HB3 LEU 40 2HB LEU 40 -2.256 -2.698 -4.219 334 HG LEU 40 HG LEU 40 -2.025 -3.991 -6.526 335 HD11 LEU 40 1HD1 LEU 40 -2.486 -6.490 -5.437 336 HD12 LEU 40 2HD1 LEU 40 -1.089 -5.888 -4.546 337 HD13 LEU 40 3HD1 LEU 40 -1.041 -5.973 -6.306 338 HD21 LEU 40 3HD2 LEU 40 -4.198 -5.004 -6.072 339 HD22 LEU 40 1HD2 LEU 40 -4.113 -3.368 -5.420 340 HD23 LEU 40 2HD2 LEU 40 -3.961 -4.756 -4.342 341 H ARG 41 H ARG 41 -0.290 -2.287 -7.452 342 HA ARG 41 HA ARG 41 0.299 -4.727 -8.591 343 HB2 ARG 41 1HB ARG 41 0.653 -3.593 -10.594 344 HB3 ARG 41 2HB ARG 41 -0.366 -2.481 -9.691 345 HG2 ARG 41 1HG ARG 41 1.746 -1.305 -8.979 346 HG3 ARG 41 2HG ARG 41 2.595 -2.302 -10.163 347 HD2 ARG 41 1HD ARG 41 1.072 -1.431 -11.914 348 HD3 ARG 41 2HD ARG 41 0.348 -0.366 -10.709 349 HE ARG 41 HE ARG 41 2.180 1.006 -10.862 350 HH11 ARG 41 1HH1 ARG 41 2.877 -2.035 -12.407 351 HH12 ARG 41 2HH1 ARG 41 4.370 -1.492 -13.095 352 HH21 ARG 41 1HH2 ARG 41 4.145 1.733 -11.764 353 HH22 ARG 41 2HH2 ARG 41 5.091 0.651 -12.729 354 H LEU 42 H LEU 42 2.463 -2.398 -7.142 355 HA LEU 42 HA LEU 42 4.842 -3.744 -8.099 356 HB2 LEU 42 1HB LEU 42 4.207 -1.256 -6.690 357 HB3 LEU 42 2HB LEU 42 5.688 -2.037 -6.143 358 HG LEU 42 HG LEU 42 6.577 -1.958 -8.418 359 HD11 LEU 42 1HD1 LEU 42 5.270 -0.429 -10.026 360 HD12 LEU 42 2HD1 LEU 42 3.875 -0.819 -9.022 361 HD13 LEU 42 3HD1 LEU 42 4.753 -2.106 -9.848 362 HD21 LEU 42 3HD2 LEU 42 6.850 0.479 -8.583 363 HD22 LEU 42 1HD2 LEU 42 7.050 -0.104 -6.930 364 HD23 LEU 42 2HD2 LEU 42 5.551 0.692 -7.408 365 H LEU 43 H LEU 43 3.170 -3.283 -5.002 366 HA LEU 43 HA LEU 43 4.990 -4.795 -3.455 367 HB2 LEU 43 1HB LEU 43 2.621 -3.326 -3.028 368 HB3 LEU 43 2HB LEU 43 2.339 -4.943 -2.386 369 HG LEU 43 HG LEU 43 4.501 -3.007 -1.567 370 HD11 LEU 43 1HD1 LEU 43 2.106 -2.742 -0.733 371 HD12 LEU 43 2HD1 LEU 43 3.380 -2.847 0.482 372 HD13 LEU 43 3HD1 LEU 43 2.370 -4.252 0.141 373 HD21 LEU 43 3HD2 LEU 43 5.717 -4.803 -1.056 374 HD22 LEU 43 1HD2 LEU 43 4.376 -5.903 -1.375 375 HD23 LEU 43 2HD2 LEU 43 4.522 -5.125 0.202 376 H ALA 44 H ALA 44 2.695 -5.723 -5.760 377 HA ALA 44 HA ALA 44 1.762 -8.164 -4.761 378 HB1 ALA 44 3HB ALA 44 1.739 -8.715 -7.341 379 HB2 ALA 44 1HB ALA 44 0.621 -7.544 -6.640 380 HB3 ALA 44 2HB ALA 44 2.074 -6.989 -7.474 381 H LYS 45 H LYS 45 4.884 -7.244 -5.810 382 HA LYS 45 HA LYS 45 5.935 -9.616 -6.806 383 HB2 LYS 45 1HB LYS 45 6.982 -7.137 -5.676 384 HB3 LYS 45 2HB LYS 45 8.015 -8.520 -5.341 385 HG2 LYS 45 1HG LYS 45 7.844 -9.026 -7.839 386 HG3 LYS 45 2HG LYS 45 7.204 -7.389 -7.995 387 HD2 LYS 45 1HD LYS 45 9.674 -7.653 -6.408 388 HD3 LYS 45 2HD LYS 45 9.830 -8.003 -8.131 389 HE2 LYS 45 1HE LYS 45 8.273 -5.691 -7.990 390 HE3 LYS 45 2HE LYS 45 9.541 -5.465 -6.784 391 HZ1 LYS 45 3HZ LYS 45 11.201 -5.676 -8.392 392 HZ2 LYS 45 1HZ LYS 45 10.030 -4.710 -9.139 393 HZ3 LYS 45 2HZ LYS 45 10.156 -6.349 -9.539 394 H GLU 46 H GLU 46 5.042 -8.763 -3.578 395 HA GLU 46 HA GLU 46 6.347 -11.186 -2.537 396 HB2 GLU 46 1HB GLU 46 6.177 -8.559 -1.519 397 HB3 GLU 46 2HB GLU 46 5.173 -9.560 -0.479 398 HG2 GLU 46 1HG GLU 46 7.340 -11.125 -0.647 399 HG3 GLU 46 2HG GLU 46 8.096 -9.546 -0.854 400 H GLY 47 H GLY 47 3.790 -11.000 -4.072 401 HA2 GLY 47 1HA GLY 47 1.661 -11.866 -4.001 402 HA3 GLY 47 2HA GLY 47 2.323 -12.965 -2.800 403 H VAL 48 H VAL 48 1.689 -9.461 -2.747 404 HA VAL 48 HA VAL 48 0.680 -9.570 -0.081 405 HB VAL 48 HB VAL 48 0.541 -7.343 -2.118 406 HG11 VAL 48 1HG1 VAL 48 0.106 -5.880 -0.193 407 HG12 VAL 48 2HG1 VAL 48 -1.175 -7.073 -0.419 408 HG13 VAL 48 3HG1 VAL 48 0.025 -7.297 0.854 409 HG21 VAL 48 3HG2 VAL 48 2.403 -7.617 0.233 410 HG22 VAL 48 1HG2 VAL 48 2.822 -8.133 -1.401 411 HG23 VAL 48 2HG2 VAL 48 2.473 -6.435 -1.075 412 H VAL 49 H VAL 49 -1.413 -9.353 0.664 413 HA VAL 49 HA VAL 49 -3.458 -10.551 -0.853 414 HB VAL 49 HB VAL 49 -4.982 -9.792 0.973 415 HG11 VAL 49 1HG1 VAL 49 -2.573 -11.433 1.279 416 HG12 VAL 49 2HG1 VAL 49 -3.293 -10.901 2.800 417 HG13 VAL 49 3HG1 VAL 49 -4.258 -11.810 1.636 418 HG21 VAL 49 3HG2 VAL 49 -2.906 -7.908 1.401 419 HG22 VAL 49 1HG2 VAL 49 -4.444 -8.059 2.251 420 HG23 VAL 49 2HG2 VAL 49 -3.022 -8.919 2.840 421 H GLU 50 H GLU 50 -5.701 -9.409 -0.988 422 HA GLU 50 HA GLU 50 -5.699 -7.591 -3.025 423 HB2 GLU 50 1HB GLU 50 -8.014 -6.905 -2.088 424 HB3 GLU 50 2HB GLU 50 -7.765 -8.570 -2.593 425 HG2 GLU 50 1HG GLU 50 -7.548 -9.307 -0.346 426 HG3 GLU 50 2HG GLU 50 -7.488 -7.650 0.254 427 HA PRO 51 HA PRO 51 -4.620 -3.619 -1.508 428 HB2 PRO 51 1HB PRO 51 -6.306 -2.003 -2.892 429 HB3 PRO 51 2HB PRO 51 -4.936 -2.831 -3.643 430 HG2 PRO 51 1HG PRO 51 -7.834 -3.586 -3.633 431 HG3 PRO 51 2HG PRO 51 -6.671 -3.628 -4.972 432 HD2 PRO 51 1HD PRO 51 -7.371 -5.843 -3.580 433 HD3 PRO 51 2HD PRO 51 -5.753 -5.625 -4.278 434 H GLU 52 H GLU 52 -7.895 -4.714 -1.187 435 HA GLU 52 HA GLU 52 -9.125 -2.631 0.140 436 HB2 GLU 52 1HB GLU 52 -10.010 -4.986 -0.549 437 HB3 GLU 52 2HB GLU 52 -9.516 -5.456 1.071 438 HG2 GLU 52 1HG GLU 52 -11.200 -3.033 0.789 439 HG3 GLU 52 2HG GLU 52 -11.958 -4.603 0.531 440 H VAL 53 H VAL 53 -6.701 -4.853 1.301 441 HA VAL 53 HA VAL 53 -7.014 -4.014 4.063 442 HB VAL 53 HB VAL 53 -4.888 -5.786 2.850 443 HG11 VAL 53 1HG1 VAL 53 -5.391 -4.764 5.538 444 HG12 VAL 53 2HG1 VAL 53 -5.215 -6.519 5.469 445 HG13 VAL 53 3HG1 VAL 53 -3.932 -5.477 4.850 446 HG21 VAL 53 3HG2 VAL 53 -6.493 -7.456 4.242 447 HG22 VAL 53 1HG2 VAL 53 -7.676 -6.295 3.644 448 HG23 VAL 53 2HG2 VAL 53 -6.642 -7.163 2.510 449 H VAL 54 H VAL 54 -4.522 -3.802 1.531 450 HA VAL 54 HA VAL 54 -2.591 -2.382 2.900 451 HB VAL 54 HB VAL 54 -3.324 -1.966 -0.001 452 HG11 VAL 54 1HG1 VAL 54 -0.663 -1.655 1.384 453 HG12 VAL 54 2HG1 VAL 54 -1.039 -1.288 -0.301 454 HG13 VAL 54 3HG1 VAL 54 -1.748 -0.321 0.993 455 HG21 VAL 54 3HG2 VAL 54 -1.126 -3.711 0.270 456 HG22 VAL 54 1HG2 VAL 54 -2.387 -4.304 1.351 457 HG23 VAL 54 2HG2 VAL 54 -2.730 -4.076 -0.364 458 H ARG 55 H ARG 55 -5.633 -1.277 1.616 459 HA ARG 55 HA ARG 55 -5.123 1.488 1.563 460 HB2 ARG 55 1HB ARG 55 -7.069 0.622 0.458 461 HB3 ARG 55 2HB ARG 55 -7.682 -0.062 1.958 462 HG2 ARG 55 1HG ARG 55 -8.150 2.100 2.841 463 HG3 ARG 55 2HG ARG 55 -7.312 2.887 1.503 464 HD2 ARG 55 1HD ARG 55 -9.670 3.043 1.113 465 HD3 ARG 55 2HD ARG 55 -8.990 1.900 -0.045 466 HE ARG 55 HE ARG 55 -9.849 0.420 2.133 467 HH11 ARG 55 1HH1 ARG 55 -11.246 2.499 -0.284 468 HH12 ARG 55 2HH1 ARG 55 -12.780 1.693 -0.279 469 HH21 ARG 55 1HH2 ARG 55 -11.864 -0.650 2.150 470 HH22 ARG 55 2HH2 ARG 55 -13.131 -0.098 1.106 471 H GLN 56 H GLN 56 -6.371 -0.620 4.123 472 HA GLN 56 HA GLN 56 -6.562 1.582 5.991 473 HB2 GLN 56 1HB GLN 56 -7.867 -0.821 5.767 474 HB3 GLN 56 2HB GLN 56 -6.736 -1.139 7.076 475 HG2 GLN 56 1HG GLN 56 -8.953 0.862 6.947 476 HG3 GLN 56 2HG GLN 56 -8.646 -0.386 8.154 477 HE21 GLN 56 2HE2 GLN 56 -6.304 -0.071 9.123 478 HE22 GLN 56 1HE2 GLN 56 -6.003 1.523 9.715 479 H ILE 57 H ILE 57 -4.586 -1.342 5.605 480 HA ILE 57 HA ILE 57 -3.013 -1.122 7.874 481 HB ILE 57 HB ILE 57 -2.177 -2.120 5.149 482 HG12 ILE 57 1HG1 ILE 57 -4.154 -3.261 6.111 483 HG13 ILE 57 2HG1 ILE 57 -2.759 -4.327 5.994 484 HG21 ILE 57 1HG2 ILE 57 -0.886 -2.297 7.849 485 HG22 ILE 57 2HG2 ILE 57 -0.575 -3.503 6.602 486 HG23 ILE 57 3HG2 ILE 57 -0.176 -1.811 6.309 487 HD11 ILE 57 3HD1 ILE 57 -2.324 -4.026 8.369 488 HD12 ILE 57 1HD1 ILE 57 -3.707 -2.938 8.490 489 HD13 ILE 57 2HD1 ILE 57 -3.953 -4.639 8.088 490 H ALA 58 H ALA 58 -2.603 0.415 4.714 491 HA ALA 58 HA ALA 58 -0.095 1.592 5.213 492 HB1 ALA 58 3HB ALA 58 -0.741 1.505 2.969 493 HB2 ALA 58 1HB ALA 58 -2.316 2.227 3.300 494 HB3 ALA 58 2HB ALA 58 -0.858 3.215 3.383 495 H ILE 59 H ILE 59 -3.241 2.361 6.341 496 HA ILE 59 HA ILE 59 -2.633 5.127 6.939 497 HB ILE 59 HB ILE 59 -5.008 3.437 7.731 498 HG12 ILE 59 1HG1 ILE 59 -4.955 5.647 5.686 499 HG13 ILE 59 2HG1 ILE 59 -4.573 3.985 5.248 500 HG21 ILE 59 1HG2 ILE 59 -5.559 5.073 9.124 501 HG22 ILE 59 2HG2 ILE 59 -4.126 5.989 8.661 502 HG23 ILE 59 3HG2 ILE 59 -5.628 6.185 7.757 503 HD11 ILE 59 3HD1 ILE 59 -7.162 5.196 6.037 504 HD12 ILE 59 1HD1 ILE 59 -6.793 4.036 4.761 505 HD13 ILE 59 2HD1 ILE 59 -6.867 3.505 6.442 506 H THR 60 H THR 60 -3.014 2.085 8.705 507 HA THR 60 HA THR 60 -2.380 3.354 11.235 508 HB THR 60 HB THR 60 -4.024 1.595 11.313 509 HG1 THR 60 HG1 THR 60 -2.962 0.216 12.852 510 HG21 THR 60 3HG2 THR 60 -2.164 0.259 9.531 511 HG22 THR 60 1HG2 THR 60 -3.878 -0.052 9.807 512 HG23 THR 60 2HG2 THR 60 -2.668 -0.785 10.860 513 H ARG 61 H ARG 61 -0.613 2.282 8.654 514 HA ARG 61 HA ARG 61 1.697 1.610 10.356 515 HB2 ARG 61 1HB ARG 61 1.117 0.737 7.520 516 HB3 ARG 61 2HB ARG 61 2.595 0.378 8.402 517 HG2 ARG 61 1HG ARG 61 -0.158 -0.502 9.243 518 HG3 ARG 61 2HG ARG 61 0.998 -1.499 8.358 519 HD2 ARG 61 1HD ARG 61 2.454 -0.550 10.506 520 HD3 ARG 61 2HD ARG 61 0.861 -0.869 11.191 521 HE ARG 61 HE ARG 61 1.801 -3.029 9.576 522 HH11 ARG 61 1HH1 ARG 61 2.029 -1.565 12.726 523 HH12 ARG 61 2HH1 ARG 61 2.470 -3.040 13.523 524 HH21 ARG 61 1HH2 ARG 61 2.382 -4.976 10.613 525 HH22 ARG 61 2HH2 ARG 61 2.672 -4.979 12.320 526 H LEU 62 H LEU 62 0.802 3.091 7.243 527 HA LEU 62 HA LEU 62 3.278 4.643 7.282 528 HB2 LEU 62 1HB LEU 62 1.507 3.620 5.241 529 HB3 LEU 62 2HB LEU 62 1.806 5.342 5.021 530 HG LEU 62 HG LEU 62 3.912 3.186 5.168 531 HD11 LEU 62 1HD1 LEU 62 3.192 4.882 2.798 532 HD12 LEU 62 2HD1 LEU 62 2.435 3.319 3.100 533 HD13 LEU 62 3HD1 LEU 62 4.177 3.420 2.850 534 HD21 LEU 62 3HD2 LEU 62 5.436 5.012 4.472 535 HD22 LEU 62 1HD2 LEU 62 4.765 5.240 6.086 536 HD23 LEU 62 2HD2 LEU 62 4.122 6.162 4.726 537 H LYS 63 H LYS 63 0.600 5.023 8.850 538 HA LYS 63 HA LYS 63 -0.692 6.748 9.591 539 HB2 LYS 63 1HB LYS 63 1.896 7.472 9.857 540 HB3 LYS 63 2HB LYS 63 1.325 8.778 8.826 541 HG2 LYS 63 1HG LYS 63 0.384 9.792 10.552 542 HG3 LYS 63 2HG LYS 63 -0.544 8.343 10.952 543 HD2 LYS 63 1HD LYS 63 2.338 8.398 11.681 544 HD3 LYS 63 2HD LYS 63 1.226 9.389 12.630 545 HE2 LYS 63 1HE LYS 63 0.601 6.515 12.066 546 HE3 LYS 63 2HE LYS 63 1.710 6.948 13.367 547 HZ1 LYS 63 3HZ LYS 63 -0.050 7.302 14.638 548 HZ2 LYS 63 1HZ LYS 63 -1.111 7.031 13.348 549 HZ3 LYS 63 2HZ LYS 63 -0.509 8.585 13.635 550 H TRP 64 H TRP 64 -0.904 6.038 6.756 551 HA TRP 64 HA TRP 64 -1.166 8.359 5.165 552 HB2 TRP 64 1HB TRP 64 -0.996 5.990 4.321 553 HB3 TRP 64 2HB TRP 64 -2.671 5.760 4.818 554 HD1 TRP 64 HD1 TRP 64 -0.975 8.614 2.785 555 HE1 TRP 64 HE1 TRP 64 -2.344 8.963 0.634 556 HE3 TRP 64 HE3 TRP 64 -4.480 4.951 3.451 557 HZ2 TRP 64 HZ2 TRP 64 -4.611 7.835 -0.614 558 HZ3 TRP 64 HZ3 TRP 64 -6.214 4.653 1.733 559 HH2 TRP 64 HH2 TRP 64 -6.278 6.066 -0.257 560 H VAL 65 H VAL 65 -3.129 9.336 4.376 561 HA VAL 65 HA VAL 65 -5.550 8.938 5.936 562 HB VAL 65 HB VAL 65 -5.715 11.448 6.330 563 HG11 VAL 65 1HG1 VAL 65 -3.476 10.278 7.925 564 HG12 VAL 65 2HG1 VAL 65 -4.855 11.238 8.465 565 HG13 VAL 65 3HG1 VAL 65 -5.082 9.553 7.994 566 HG21 VAL 65 3HG2 VAL 65 -3.543 12.623 6.550 567 HG22 VAL 65 1HG2 VAL 65 -2.758 11.244 5.783 568 HG23 VAL 65 2HG2 VAL 65 -3.938 12.198 4.885 569 H GLU 66 H GLU 66 -7.169 8.895 4.537 570 HA GLU 66 HA GLU 66 -7.016 9.471 1.844 571 HB2 GLU 66 1HB GLU 66 -9.568 9.651 1.988 572 HB3 GLU 66 2HB GLU 66 -8.830 8.148 2.524 573 HG2 GLU 66 1HG GLU 66 -9.099 10.067 4.679 574 HG3 GLU 66 2HG GLU 66 -10.643 9.679 3.924 575 HA PRO 67 HA PRO 67 -7.277 13.821 1.339 576 HB2 PRO 67 1HB PRO 67 -8.783 14.024 -0.911 577 HB3 PRO 67 2HB PRO 67 -7.109 13.457 -0.923 578 HG2 PRO 67 1HG PRO 67 -9.646 11.870 -0.989 579 HG3 PRO 67 2HG PRO 67 -8.159 11.641 -1.927 580 HD2 PRO 67 1HD PRO 67 -8.747 10.152 0.256 581 HD3 PRO 67 2HD PRO 67 -7.082 10.569 -0.195 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.337 -1.577 23.639 2 HA2 GLY 1 1HA GLY 1 -8.762 -3.947 24.498 3 HA3 GLY 1 2HA GLY 1 -8.925 -3.582 22.786 4 HA PRO 2 HA PRO 2 -5.180 -6.257 23.361 5 HB2 PRO 2 1HB PRO 2 -5.790 -7.955 21.333 6 HB3 PRO 2 2HB PRO 2 -6.392 -8.171 22.981 7 HG2 PRO 2 1HG PRO 2 -7.769 -6.984 20.603 8 HG3 PRO 2 2HG PRO 2 -8.406 -8.105 21.820 9 HD2 PRO 2 1HD PRO 2 -8.915 -5.447 21.880 10 HD3 PRO 2 2HD PRO 2 -8.778 -6.426 23.354 11 H LEU 3 H LEU 3 -3.629 -6.958 21.540 12 HA LEU 3 HA LEU 3 -3.504 -4.803 19.534 13 HB2 LEU 3 1HB LEU 3 -1.009 -5.249 19.602 14 HB3 LEU 3 2HB LEU 3 -1.718 -4.438 20.998 15 HG LEU 3 HG LEU 3 -1.451 -7.382 21.167 16 HD11 LEU 3 1HD1 LEU 3 0.890 -5.502 21.093 17 HD12 LEU 3 2HD1 LEU 3 0.661 -7.008 20.207 18 HD13 LEU 3 3HD1 LEU 3 0.939 -7.043 21.948 19 HD21 LEU 3 3HD2 LEU 3 -0.797 -5.170 23.107 20 HD22 LEU 3 1HD2 LEU 3 -0.973 -6.887 23.465 21 HD23 LEU 3 2HD2 LEU 3 -2.377 -5.942 22.970 22 H GLY 4 H GLY 4 -4.771 -7.467 19.319 23 HA2 GLY 4 1HA GLY 4 -4.930 -9.178 17.796 24 HA3 GLY 4 2HA GLY 4 -4.042 -8.117 16.713 25 H SER 5 H SER 5 -3.479 -10.554 16.185 26 HA SER 5 HA SER 5 -1.054 -11.259 17.703 27 HB2 SER 5 1HB SER 5 -3.128 -12.916 16.324 28 HB3 SER 5 2HB SER 5 -1.477 -13.531 16.419 29 HG SER 5 HG SER 5 -3.315 -13.021 18.473 30 H VAL 6 H VAL 6 -0.399 -9.356 16.124 31 HA VAL 6 HA VAL 6 0.965 -8.713 14.419 32 HB VAL 6 HB VAL 6 1.466 -11.660 13.992 33 HG11 VAL 6 1HG1 VAL 6 2.461 -10.690 12.179 34 HG12 VAL 6 2HG1 VAL 6 2.729 -9.155 13.007 35 HG13 VAL 6 3HG1 VAL 6 3.771 -10.537 13.350 36 HG21 VAL 6 3HG2 VAL 6 2.539 -9.728 16.003 37 HG22 VAL 6 1HG2 VAL 6 2.044 -11.408 16.213 38 HG23 VAL 6 2HG2 VAL 6 3.565 -11.031 15.403 39 H ALA 7 H ALA 7 -1.191 -8.152 13.449 40 HA ALA 7 HA ALA 7 -2.614 -8.035 11.673 41 HB1 ALA 7 3HB ALA 7 -0.505 -9.414 10.045 42 HB2 ALA 7 1HB ALA 7 -1.646 -8.162 9.551 43 HB3 ALA 7 2HB ALA 7 -0.299 -7.758 10.616 44 H LYS 8 H LYS 8 -3.289 -9.544 9.584 45 HA LYS 8 HA LYS 8 -4.503 -11.844 10.830 46 HB2 LYS 8 1HB LYS 8 -4.936 -10.234 8.441 47 HB3 LYS 8 2HB LYS 8 -5.110 -11.955 8.124 48 HG2 LYS 8 1HG LYS 8 -7.189 -11.766 8.872 49 HG3 LYS 8 2HG LYS 8 -6.501 -11.566 10.485 50 HD2 LYS 8 1HD LYS 8 -6.259 -9.051 9.565 51 HD3 LYS 8 2HD LYS 8 -7.683 -9.567 8.660 52 HE2 LYS 8 1HE LYS 8 -8.827 -8.980 10.492 53 HE3 LYS 8 2HE LYS 8 -8.233 -10.496 11.170 54 HZ1 LYS 8 3HZ LYS 8 -7.663 -7.848 11.979 55 HZ2 LYS 8 1HZ LYS 8 -6.226 -8.631 11.552 56 HZ3 LYS 8 2HZ LYS 8 -7.239 -9.303 12.729 57 H LYS 9 H LYS 9 -2.974 -11.644 7.628 58 HA LYS 9 HA LYS 9 -1.257 -13.910 8.297 59 HB2 LYS 9 1HB LYS 9 -3.267 -13.884 6.046 60 HB3 LYS 9 2HB LYS 9 -1.912 -15.003 6.109 61 HG2 LYS 9 1HG LYS 9 -2.793 -16.187 7.869 62 HG3 LYS 9 2HG LYS 9 -3.765 -14.828 8.436 63 HD2 LYS 9 1HD LYS 9 -4.378 -15.939 5.751 64 HD3 LYS 9 2HD LYS 9 -4.831 -16.902 7.158 65 HE2 LYS 9 1HE LYS 9 -6.608 -15.613 7.492 66 HE3 LYS 9 2HE LYS 9 -5.575 -14.192 7.627 67 HZ1 LYS 9 3HZ LYS 9 -7.167 -13.866 5.881 68 HZ2 LYS 9 1HZ LYS 9 -6.717 -15.313 5.126 69 HZ3 LYS 9 2HZ LYS 9 -5.631 -14.018 5.188 70 H ILE 10 H ILE 10 -0.945 -11.011 7.673 71 HA ILE 10 HA ILE 10 0.858 -11.299 5.359 72 HB ILE 10 HB ILE 10 -1.086 -9.830 4.878 73 HG12 ILE 10 1HG1 ILE 10 0.771 -7.723 4.684 74 HG13 ILE 10 2HG1 ILE 10 1.718 -9.205 4.591 75 HG21 ILE 10 1HG2 ILE 10 0.097 -8.037 6.995 76 HG22 ILE 10 2HG2 ILE 10 -1.296 -7.682 5.974 77 HG23 ILE 10 3HG2 ILE 10 -1.386 -8.975 7.169 78 HD11 ILE 10 3HD1 ILE 10 0.977 -9.677 2.545 79 HD12 ILE 10 1HD1 ILE 10 -0.687 -9.251 2.944 80 HD13 ILE 10 2HD1 ILE 10 0.464 -7.990 2.501 81 H THR 11 H THR 11 2.929 -10.693 5.621 82 HA THR 11 HA THR 11 3.736 -9.786 8.280 83 HB THR 11 HB THR 11 5.452 -10.810 6.010 84 HG1 THR 11 HG1 THR 11 5.313 -12.760 6.979 85 HG21 THR 11 3HG2 THR 11 6.173 -9.370 8.294 86 HG22 THR 11 1HG2 THR 11 7.242 -10.290 7.238 87 HG23 THR 11 2HG2 THR 11 6.550 -11.051 8.670 88 H TRP 12 H TRP 12 3.634 -7.618 8.426 89 HA TRP 12 HA TRP 12 4.683 -6.001 6.214 90 HB2 TRP 12 1HB TRP 12 2.850 -5.409 8.521 91 HB3 TRP 12 2HB TRP 12 3.667 -4.103 7.666 92 HD1 TRP 12 HD1 TRP 12 0.556 -6.028 7.583 93 HE1 TRP 12 HE1 TRP 12 -0.668 -5.712 5.341 94 HE3 TRP 12 HE3 TRP 12 4.340 -3.898 4.884 95 HZ2 TRP 12 HZ2 TRP 12 -0.104 -4.696 2.768 96 HZ3 TRP 12 HZ3 TRP 12 3.916 -3.284 2.539 97 HH2 TRP 12 HH2 TRP 12 1.740 -3.676 1.505 98 H ARG 13 H ARG 13 6.844 -5.839 6.420 99 HA ARG 13 HA ARG 13 7.968 -5.240 9.064 100 HB2 ARG 13 1HB ARG 13 9.330 -6.108 6.507 101 HB3 ARG 13 2HB ARG 13 10.147 -5.800 8.034 102 HG2 ARG 13 1HG ARG 13 8.847 -7.615 9.070 103 HG3 ARG 13 2HG ARG 13 8.101 -7.945 7.504 104 HD2 ARG 13 1HD ARG 13 9.787 -9.410 7.267 105 HD3 ARG 13 2HD ARG 13 10.731 -7.982 6.847 106 HE ARG 13 HE ARG 13 10.821 -8.278 9.617 107 HH11 ARG 13 1HH1 ARG 13 11.885 -9.961 6.760 108 HH12 ARG 13 2HH1 ARG 13 13.259 -10.676 7.535 109 HH21 ARG 13 1HH2 ARG 13 12.628 -9.213 10.648 110 HH22 ARG 13 2HH2 ARG 13 13.681 -10.251 9.747 111 H LYS 14 H LYS 14 9.529 -3.550 9.295 112 HA LYS 14 HA LYS 14 8.779 -1.097 8.256 113 HB2 LYS 14 1HB LYS 14 10.916 -0.243 9.129 114 HB3 LYS 14 2HB LYS 14 10.118 -1.305 10.281 115 HG2 LYS 14 1HG LYS 14 12.207 -2.145 10.450 116 HG3 LYS 14 2HG LYS 14 11.660 -3.110 9.077 117 HD2 LYS 14 1HD LYS 14 13.506 -2.341 8.058 118 HD3 LYS 14 2HD LYS 14 12.584 -0.849 7.850 119 HE2 LYS 14 1HE LYS 14 13.809 0.266 9.376 120 HE3 LYS 14 2HE LYS 14 13.933 -1.129 10.446 121 HZ1 LYS 14 3HZ LYS 14 15.692 -2.011 9.133 122 HZ2 LYS 14 1HZ LYS 14 16.073 -0.396 9.461 123 HZ3 LYS 14 2HZ LYS 14 15.487 -0.834 7.935 124 H GLN 15 H GLN 15 11.051 -3.445 7.005 125 HA GLN 15 HA GLN 15 12.268 -1.745 5.083 126 HB2 GLN 15 1HB GLN 15 13.292 -3.849 5.880 127 HB3 GLN 15 2HB GLN 15 12.021 -4.758 5.073 128 HG2 GLN 15 1HG GLN 15 13.491 -4.890 3.399 129 HG3 GLN 15 2HG GLN 15 12.948 -3.256 3.025 130 HE21 GLN 15 2HE2 GLN 15 14.789 -2.420 2.220 131 HE22 GLN 15 1HE2 GLN 15 16.261 -2.258 3.110 132 H ASP 16 H ASP 16 9.450 -3.842 5.058 133 HA ASP 16 HA ASP 16 9.006 -3.626 2.236 134 HB2 ASP 16 1HB ASP 16 8.025 -5.236 4.292 135 HB3 ASP 16 2HB ASP 16 6.635 -4.282 3.783 136 H LEU 17 H LEU 17 7.664 -2.070 5.119 137 HA LEU 17 HA LEU 17 5.651 -0.582 3.887 138 HB2 LEU 17 1HB LEU 17 7.230 -0.319 6.392 139 HB3 LEU 17 2HB LEU 17 6.270 1.062 5.866 140 HG LEU 17 HG LEU 17 5.075 -1.673 6.237 141 HD11 LEU 17 1HD1 LEU 17 5.191 0.535 8.284 142 HD12 LEU 17 2HD1 LEU 17 6.153 -0.941 8.337 143 HD13 LEU 17 3HD1 LEU 17 4.396 -1.030 8.455 144 HD21 LEU 17 3HD2 LEU 17 3.022 -0.610 6.120 145 HD22 LEU 17 1HD2 LEU 17 3.973 0.272 4.925 146 HD23 LEU 17 2HD2 LEU 17 3.699 0.969 6.522 147 H ASP 18 H ASP 18 9.060 0.204 4.441 148 HA ASP 18 HA ASP 18 9.100 2.833 3.600 149 HB2 ASP 18 1HB ASP 18 11.003 1.250 4.488 150 HB3 ASP 18 2HB ASP 18 11.319 1.001 2.773 151 H ARG 19 H ARG 19 8.974 -0.103 1.685 152 HA ARG 19 HA ARG 19 9.494 1.158 -0.820 153 HB2 ARG 19 1HB ARG 19 9.874 -1.240 -0.474 154 HB3 ARG 19 2HB ARG 19 8.153 -1.482 -0.205 155 HG2 ARG 19 1HG ARG 19 7.632 -1.026 -2.455 156 HG3 ARG 19 2HG ARG 19 9.236 -0.360 -2.770 157 HD2 ARG 19 1HD ARG 19 9.582 -2.996 -1.797 158 HD3 ARG 19 2HD ARG 19 8.327 -3.049 -3.036 159 HE ARG 19 HE ARG 19 11.112 -2.638 -3.446 160 HH11 ARG 19 1HH1 ARG 19 7.963 -1.763 -4.648 161 HH12 ARG 19 2HH1 ARG 19 8.521 -1.454 -6.259 162 HH21 ARG 19 1HH2 ARG 19 11.857 -2.233 -5.563 163 HH22 ARG 19 2HH2 ARG 19 10.735 -1.722 -6.779 164 H LEU 20 H LEU 20 6.544 0.150 0.872 165 HA LEU 20 HA LEU 20 4.663 0.695 -1.074 166 HB2 LEU 20 1HB LEU 20 4.630 0.019 1.604 167 HB3 LEU 20 2HB LEU 20 3.808 1.578 1.561 168 HG LEU 20 HG LEU 20 2.978 -0.629 -0.287 169 HD11 LEU 20 1HD1 LEU 20 1.622 -0.283 2.341 170 HD12 LEU 20 2HD1 LEU 20 3.086 -1.261 2.258 171 HD13 LEU 20 3HD1 LEU 20 1.685 -1.687 1.277 172 HD21 LEU 20 3HD2 LEU 20 2.218 1.887 -0.289 173 HD22 LEU 20 1HD2 LEU 20 1.171 1.343 1.022 174 HD23 LEU 20 2HD2 LEU 20 1.058 0.589 -0.567 175 H LYS 21 H LYS 21 6.156 2.920 1.238 176 HA LYS 21 HA LYS 21 4.638 5.192 0.668 177 HB2 LYS 21 1HB LYS 21 6.396 4.803 2.516 178 HB3 LYS 21 2HB LYS 21 7.575 5.310 1.314 179 HG2 LYS 21 1HG LYS 21 6.683 7.476 1.192 180 HG3 LYS 21 2HG LYS 21 5.196 6.998 2.015 181 HD2 LYS 21 1HD LYS 21 6.522 6.559 4.061 182 HD3 LYS 21 2HD LYS 21 7.956 7.160 3.226 183 HE2 LYS 21 1HE LYS 21 5.436 8.755 3.671 184 HE3 LYS 21 2HE LYS 21 6.870 8.846 4.693 185 HZ1 LYS 21 3HZ LYS 21 6.459 9.844 1.973 186 HZ2 LYS 21 1HZ LYS 21 8.009 9.307 2.389 187 HZ3 LYS 21 2HZ LYS 21 7.280 10.553 3.270 188 H ARG 22 H ARG 22 7.672 4.059 -0.795 189 HA ARG 22 HA ARG 22 8.131 6.174 -2.529 190 HB2 ARG 22 1HB ARG 22 9.442 3.906 -2.018 191 HB3 ARG 22 2HB ARG 22 8.673 3.424 -3.524 192 HG2 ARG 22 1HG ARG 22 9.632 5.714 -4.375 193 HG3 ARG 22 2HG ARG 22 10.751 5.490 -3.029 194 HD2 ARG 22 1HD ARG 22 10.243 3.287 -4.994 195 HD3 ARG 22 2HD ARG 22 11.393 4.573 -5.356 196 HE ARG 22 HE ARG 22 11.868 3.399 -2.801 197 HH11 ARG 22 1HH1 ARG 22 12.355 2.964 -6.220 198 HH12 ARG 22 2HH1 ARG 22 13.769 1.982 -6.027 199 HH21 ARG 22 1HH2 ARG 22 13.728 2.106 -2.532 200 HH22 ARG 22 2HH2 ARG 22 14.548 1.493 -3.929 201 H VAL 23 H VAL 23 5.788 3.619 -2.708 202 HA VAL 23 HA VAL 23 5.166 4.085 -5.496 203 HB VAL 23 HB VAL 23 3.585 2.462 -3.501 204 HG11 VAL 23 1HG1 VAL 23 3.060 1.222 -5.716 205 HG12 VAL 23 2HG1 VAL 23 2.230 2.739 -5.362 206 HG13 VAL 23 3HG1 VAL 23 3.592 2.719 -6.483 207 HG21 VAL 23 3HG2 VAL 23 5.921 1.706 -3.581 208 HG22 VAL 23 1HG2 VAL 23 4.820 0.517 -4.276 209 HG23 VAL 23 2HG2 VAL 23 5.800 1.536 -5.331 210 H ILE 24 H ILE 24 3.543 4.588 -2.370 211 HA ILE 24 HA ILE 24 1.221 5.793 -3.364 212 HB ILE 24 HB ILE 24 2.578 6.284 -0.710 213 HG12 ILE 24 1HG1 ILE 24 0.262 4.439 -1.276 214 HG13 ILE 24 2HG1 ILE 24 1.932 3.890 -1.350 215 HG21 ILE 24 1HG2 ILE 24 0.962 8.023 -1.232 216 HG22 ILE 24 2HG2 ILE 24 -0.261 6.802 -1.583 217 HG23 ILE 24 3HG2 ILE 24 0.358 6.984 0.059 218 HD11 ILE 24 3HD1 ILE 24 1.596 5.253 1.100 219 HD12 ILE 24 1HD1 ILE 24 0.238 4.144 0.909 220 HD13 ILE 24 2HD1 ILE 24 1.891 3.536 0.828 221 H ALA 25 H ALA 25 4.427 7.031 -2.933 222 HA ALA 25 HA ALA 25 3.706 9.805 -2.980 223 HB1 ALA 25 3HB ALA 25 5.962 8.433 -2.281 224 HB2 ALA 25 1HB ALA 25 6.425 9.146 -3.827 225 HB3 ALA 25 2HB ALA 25 5.863 10.179 -2.513 226 H LEU 26 H LEU 26 4.539 7.382 -5.363 227 HA LEU 26 HA LEU 26 4.732 9.342 -7.498 228 HB2 LEU 26 1HB LEU 26 6.118 7.187 -7.256 229 HB3 LEU 26 2HB LEU 26 4.679 6.363 -7.852 230 HG LEU 26 HG LEU 26 5.182 8.444 -9.668 231 HD11 LEU 26 1HD1 LEU 26 7.438 8.603 -8.690 232 HD12 LEU 26 2HD1 LEU 26 7.461 8.063 -10.368 233 HD13 LEU 26 3HD1 LEU 26 7.699 6.899 -9.065 234 HD21 LEU 26 3HD2 LEU 26 5.890 5.530 -9.957 235 HD22 LEU 26 1HD2 LEU 26 5.453 6.666 -11.235 236 HD23 LEU 26 2HD2 LEU 26 4.243 6.157 -10.056 237 H LYS 27 H LYS 27 2.734 6.455 -6.856 238 HA LYS 27 HA LYS 27 0.871 6.931 -8.901 239 HB2 LYS 27 1HB LYS 27 0.474 5.447 -6.296 240 HB3 LYS 27 2HB LYS 27 -0.568 5.330 -7.709 241 HG2 LYS 27 1HG LYS 27 2.351 4.629 -7.794 242 HG3 LYS 27 2HG LYS 27 1.098 3.461 -7.367 243 HD2 LYS 27 1HD LYS 27 -0.025 4.041 -9.548 244 HD3 LYS 27 2HD LYS 27 1.429 4.950 -9.966 245 HE2 LYS 27 1HE LYS 27 2.246 2.397 -9.052 246 HE3 LYS 27 2HE LYS 27 0.934 2.152 -10.203 247 HZ1 LYS 27 3HZ LYS 27 3.542 2.589 -10.832 248 HZ2 LYS 27 1HZ LYS 27 2.835 4.105 -11.087 249 HZ3 LYS 27 2HZ LYS 27 2.234 2.745 -11.892 250 H LYS 28 H LYS 28 0.791 7.753 -5.448 251 HA LYS 28 HA LYS 28 -0.497 9.199 -4.250 252 HB2 LYS 28 1HB LYS 28 -0.580 10.611 -6.922 253 HB3 LYS 28 2HB LYS 28 -1.109 11.323 -5.403 254 HG2 LYS 28 1HG LYS 28 1.641 10.222 -5.520 255 HG3 LYS 28 2HG LYS 28 1.313 11.726 -6.386 256 HD2 LYS 28 1HD LYS 28 0.085 12.125 -3.953 257 HD3 LYS 28 2HD LYS 28 1.540 11.223 -3.521 258 HE2 LYS 28 1HE LYS 28 2.931 12.902 -4.151 259 HE3 LYS 28 2HE LYS 28 1.872 13.435 -5.457 260 HZ1 LYS 28 3HZ LYS 28 0.406 14.422 -3.785 261 HZ2 LYS 28 1HZ LYS 28 1.961 15.085 -3.720 262 HZ3 LYS 28 2HZ LYS 28 1.475 13.955 -2.560 263 HA PRO 29 HA PRO 29 -4.391 7.260 -5.907 264 HB2 PRO 29 1HB PRO 29 -4.995 5.938 -3.615 265 HB3 PRO 29 2HB PRO 29 -3.948 5.260 -4.867 266 HG2 PRO 29 1HG PRO 29 -3.204 6.610 -2.301 267 HG3 PRO 29 2HG PRO 29 -2.516 5.150 -3.038 268 HD2 PRO 29 1HD PRO 29 -1.319 7.573 -3.212 269 HD3 PRO 29 2HD PRO 29 -1.202 6.355 -4.499 270 H SER 30 H SER 30 -6.605 7.447 -4.975 271 HA SER 30 HA SER 30 -6.834 9.675 -3.066 272 HB2 SER 30 1HB SER 30 -8.470 9.344 -5.593 273 HB3 SER 30 2HB SER 30 -8.658 10.627 -4.398 274 HG SER 30 HG SER 30 -7.271 10.933 -6.422 275 H ALA 31 H ALA 31 -7.020 7.155 -2.159 276 HA ALA 31 HA ALA 31 -8.339 5.715 -0.989 277 HB1 ALA 31 3HB ALA 31 -9.112 7.602 0.215 278 HB2 ALA 31 1HB ALA 31 -10.167 8.101 -1.107 279 HB3 ALA 31 2HB ALA 31 -10.538 6.645 -0.185 280 H SER 32 H SER 32 -8.327 4.441 -3.018 281 HA SER 32 HA SER 32 -11.047 3.783 -3.766 282 HB2 SER 32 1HB SER 32 -9.407 5.398 -5.477 283 HB3 SER 32 2HB SER 32 -9.663 3.829 -6.240 284 HG SER 32 HG SER 32 -11.355 5.854 -6.081 285 H ASP 33 H ASP 33 -11.241 1.646 -3.848 286 HA ASP 33 HA ASP 33 -9.155 -0.119 -3.341 287 HB2 ASP 33 1HB ASP 33 -10.708 -1.858 -3.626 288 HB3 ASP 33 2HB ASP 33 -11.695 -0.485 -3.130 289 H ALA 34 H ALA 34 -10.315 1.181 -6.351 290 HA ALA 34 HA ALA 34 -8.956 -0.738 -8.008 291 HB1 ALA 34 3HB ALA 34 -9.547 0.892 -9.840 292 HB2 ALA 34 1HB ALA 34 -10.907 0.228 -8.934 293 HB3 ALA 34 2HB ALA 34 -10.341 1.865 -8.602 294 H ASP 35 H ASP 35 -8.276 2.434 -6.688 295 HA ASP 35 HA ASP 35 -5.990 2.955 -8.316 296 HB2 ASP 35 1HB ASP 35 -7.408 4.265 -6.129 297 HB3 ASP 35 2HB ASP 35 -5.661 4.445 -5.999 298 H TRP 36 H TRP 36 -6.429 1.770 -4.996 299 HA TRP 36 HA TRP 36 -3.725 1.540 -4.323 300 HB2 TRP 36 1HB TRP 36 -6.250 0.287 -3.342 301 HB3 TRP 36 2HB TRP 36 -4.717 -0.401 -2.815 302 HD1 TRP 36 HD1 TRP 36 -7.012 2.539 -2.250 303 HE1 TRP 36 HE1 TRP 36 -6.067 4.012 -0.362 304 HE3 TRP 36 HE3 TRP 36 -2.400 0.385 -1.772 305 HZ2 TRP 36 HZ2 TRP 36 -3.682 4.233 1.131 306 HZ3 TRP 36 HZ3 TRP 36 -0.847 1.287 -0.092 307 HH2 TRP 36 HH2 TRP 36 -1.475 3.171 1.328 308 H THR 37 H THR 37 -5.743 -0.432 -6.329 309 HA THR 37 HA THR 37 -4.446 -2.881 -6.245 310 HB THR 37 HB THR 37 -5.646 -1.571 -8.692 311 HG1 THR 37 HG1 THR 37 -7.466 -2.999 -7.946 312 HG21 THR 37 3HG2 THR 37 -4.737 -4.344 -8.064 313 HG22 THR 37 1HG2 THR 37 -4.576 -3.420 -9.557 314 HG23 THR 37 2HG2 THR 37 -6.135 -4.118 -9.116 315 H GLU 38 H GLU 38 -3.678 -0.009 -8.173 316 HA GLU 38 HA GLU 38 -1.478 -1.246 -9.523 317 HB2 GLU 38 1HB GLU 38 -2.379 1.619 -9.258 318 HB3 GLU 38 2HB GLU 38 -0.944 1.158 -10.163 319 HG2 GLU 38 1HG GLU 38 -2.129 0.407 -11.901 320 HG3 GLU 38 2HG GLU 38 -3.344 -0.353 -10.875 321 H VAL 39 H VAL 39 -1.870 0.722 -6.645 322 HA VAL 39 HA VAL 39 0.855 1.337 -6.228 323 HB VAL 39 HB VAL 39 -1.366 1.084 -4.194 324 HG11 VAL 39 1HG1 VAL 39 0.155 1.478 -2.627 325 HG12 VAL 39 2HG1 VAL 39 1.430 1.468 -3.848 326 HG13 VAL 39 3HG1 VAL 39 0.609 2.975 -3.442 327 HG21 VAL 39 3HG2 VAL 39 -2.069 3.136 -4.762 328 HG22 VAL 39 1HG2 VAL 39 -0.426 3.743 -4.969 329 HG23 VAL 39 2HG2 VAL 39 -1.208 2.850 -6.274 330 H LEU 40 H LEU 40 -1.208 -1.244 -4.908 331 HA LEU 40 HA LEU 40 0.997 -2.485 -3.536 332 HB2 LEU 40 1HB LEU 40 -0.546 -3.813 -2.542 333 HB3 LEU 40 2HB LEU 40 -1.600 -2.488 -3.032 334 HG LEU 40 HG LEU 40 -1.893 -4.026 -5.181 335 HD11 LEU 40 1HD1 LEU 40 -1.330 -6.172 -4.982 336 HD12 LEU 40 2HD1 LEU 40 -1.940 -6.268 -3.330 337 HD13 LEU 40 3HD1 LEU 40 -0.313 -5.662 -3.633 338 HD21 LEU 40 3HD2 LEU 40 -3.322 -3.613 -2.709 339 HD22 LEU 40 1HD2 LEU 40 -3.644 -5.216 -3.371 340 HD23 LEU 40 2HD2 LEU 40 -3.941 -3.782 -4.353 341 H ARG 41 H ARG 41 -0.351 -2.622 -6.675 342 HA ARG 41 HA ARG 41 0.084 -5.216 -7.498 343 HB2 ARG 41 1HB ARG 41 -0.315 -2.674 -8.747 344 HB3 ARG 41 2HB ARG 41 0.966 -3.525 -9.599 345 HG2 ARG 41 1HG ARG 41 -0.499 -5.438 -9.928 346 HG3 ARG 41 2HG ARG 41 -1.782 -4.618 -9.035 347 HD2 ARG 41 1HD ARG 41 -2.375 -3.400 -10.811 348 HD3 ARG 41 2HD ARG 41 -0.703 -2.994 -11.191 349 HE ARG 41 HE ARG 41 -0.903 -5.558 -12.010 350 HH11 ARG 41 1HH1 ARG 41 -2.818 -2.712 -12.608 351 HH12 ARG 41 2HH1 ARG 41 -3.314 -3.219 -14.190 352 HH21 ARG 41 1HH2 ARG 41 -1.549 -6.235 -14.091 353 HH22 ARG 41 2HH2 ARG 41 -2.592 -5.224 -15.032 354 H LEU 42 H LEU 42 2.416 -2.524 -7.721 355 HA LEU 42 HA LEU 42 4.577 -4.022 -8.652 356 HB2 LEU 42 1HB LEU 42 4.168 -1.390 -7.440 357 HB3 LEU 42 2HB LEU 42 5.766 -2.073 -7.148 358 HG LEU 42 HG LEU 42 6.168 -2.233 -9.532 359 HD11 LEU 42 1HD1 LEU 42 3.922 -2.720 -10.292 360 HD12 LEU 42 2HD1 LEU 42 4.556 -1.310 -11.141 361 HD13 LEU 42 3HD1 LEU 42 3.390 -1.102 -9.835 362 HD21 LEU 42 3HD2 LEU 42 6.069 0.203 -10.094 363 HD22 LEU 42 1HD2 LEU 42 6.815 -0.165 -8.538 364 HD23 LEU 42 2HD2 LEU 42 5.163 0.450 -8.600 365 H LEU 43 H LEU 43 3.177 -3.830 -5.512 366 HA LEU 43 HA LEU 43 5.519 -4.971 -4.208 367 HB2 LEU 43 1HB LEU 43 3.249 -3.446 -3.382 368 HB3 LEU 43 2HB LEU 43 3.297 -4.950 -2.466 369 HG LEU 43 HG LEU 43 5.453 -2.847 -2.605 370 HD11 LEU 43 1HD1 LEU 43 4.111 -3.776 -0.114 371 HD12 LEU 43 2HD1 LEU 43 3.279 -2.625 -1.161 372 HD13 LEU 43 3HD1 LEU 43 4.856 -2.220 -0.483 373 HD21 LEU 43 3HD2 LEU 43 5.965 -4.739 -0.581 374 HD22 LEU 43 1HD2 LEU 43 6.914 -4.412 -2.030 375 HD23 LEU 43 2HD2 LEU 43 5.652 -5.644 -2.062 376 H ALA 44 H ALA 44 2.739 -6.026 -5.809 377 HA ALA 44 HA ALA 44 1.915 -8.272 -4.426 378 HB1 ALA 44 3HB ALA 44 0.796 -7.424 -6.430 379 HB2 ALA 44 1HB ALA 44 2.149 -7.974 -7.418 380 HB3 ALA 44 2HB ALA 44 1.145 -9.148 -6.566 381 H LYS 45 H LYS 45 4.882 -7.719 -6.097 382 HA LYS 45 HA LYS 45 5.664 -10.334 -6.699 383 HB2 LYS 45 1HB LYS 45 7.055 -7.751 -6.256 384 HB3 LYS 45 2HB LYS 45 8.040 -9.203 -6.138 385 HG2 LYS 45 1HG LYS 45 7.704 -9.770 -8.358 386 HG3 LYS 45 2HG LYS 45 6.252 -8.773 -8.496 387 HD2 LYS 45 1HD LYS 45 8.109 -6.897 -7.873 388 HD3 LYS 45 2HD LYS 45 9.088 -8.045 -8.791 389 HE2 LYS 45 1HE LYS 45 7.349 -7.955 -10.588 390 HE3 LYS 45 2HE LYS 45 6.567 -6.657 -9.689 391 HZ1 LYS 45 3HZ LYS 45 8.112 -5.943 -11.509 392 HZ2 LYS 45 1HZ LYS 45 9.394 -6.525 -10.570 393 HZ3 LYS 45 2HZ LYS 45 8.428 -5.262 -9.991 394 H GLU 46 H GLU 46 5.326 -8.753 -3.677 395 HA GLU 46 HA GLU 46 7.003 -10.718 -2.303 396 HB2 GLU 46 1HB GLU 46 6.958 -9.314 -0.423 397 HB3 GLU 46 2HB GLU 46 7.061 -8.210 -1.787 398 HG2 GLU 46 1HG GLU 46 5.384 -7.144 -0.772 399 HG3 GLU 46 2HG GLU 46 4.376 -8.405 -1.480 400 H GLY 47 H GLY 47 3.885 -10.471 -3.348 401 HA2 GLY 47 1HA GLY 47 2.217 -12.083 -2.974 402 HA3 GLY 47 2HA GLY 47 3.022 -12.537 -1.478 403 H VAL 48 H VAL 48 2.228 -9.232 -2.342 404 HA VAL 48 HA VAL 48 0.920 -8.754 0.121 405 HB VAL 48 HB VAL 48 1.013 -7.145 -2.429 406 HG11 VAL 48 1HG1 VAL 48 -0.933 -6.320 -1.518 407 HG12 VAL 48 2HG1 VAL 48 -0.421 -6.639 0.140 408 HG13 VAL 48 3HG1 VAL 48 0.271 -5.284 -0.753 409 HG21 VAL 48 3HG2 VAL 48 3.080 -6.762 -1.651 410 HG22 VAL 48 1HG2 VAL 48 2.284 -5.733 -0.460 411 HG23 VAL 48 2HG2 VAL 48 2.697 -7.398 -0.052 412 H VAL 49 H VAL 49 -1.223 -8.587 0.647 413 HA VAL 49 HA VAL 49 -3.067 -10.087 -0.965 414 HB VAL 49 HB VAL 49 -4.709 -9.546 0.831 415 HG11 VAL 49 1HG1 VAL 49 -3.024 -10.571 2.689 416 HG12 VAL 49 2HG1 VAL 49 -3.805 -11.520 1.423 417 HG13 VAL 49 3HG1 VAL 49 -2.151 -10.945 1.203 418 HG21 VAL 49 3HG2 VAL 49 -4.260 -8.159 2.597 419 HG22 VAL 49 1HG2 VAL 49 -2.514 -8.382 2.469 420 HG23 VAL 49 2HG2 VAL 49 -3.357 -7.337 1.324 421 H GLU 50 H GLU 50 -5.389 -9.128 -1.147 422 HA GLU 50 HA GLU 50 -5.453 -7.215 -3.099 423 HB2 GLU 50 1HB GLU 50 -7.864 -6.793 -2.260 424 HB3 GLU 50 2HB GLU 50 -7.436 -8.403 -2.823 425 HG2 GLU 50 1HG GLU 50 -7.559 -9.320 -0.745 426 HG3 GLU 50 2HG GLU 50 -7.125 -7.817 0.067 427 HA PRO 51 HA PRO 51 -4.821 -3.252 -1.330 428 HB2 PRO 51 1HB PRO 51 -6.580 -1.720 -2.720 429 HB3 PRO 51 2HB PRO 51 -5.105 -2.379 -3.437 430 HG2 PRO 51 1HG PRO 51 -7.916 -3.391 -3.621 431 HG3 PRO 51 2HG PRO 51 -6.690 -3.254 -4.895 432 HD2 PRO 51 1HD PRO 51 -7.249 -5.596 -3.655 433 HD3 PRO 51 2HD PRO 51 -5.626 -5.196 -4.252 434 H GLU 52 H GLU 52 -7.880 -4.777 -1.091 435 HA GLU 52 HA GLU 52 -9.388 -2.836 0.244 436 HB2 GLU 52 1HB GLU 52 -10.095 -5.150 -0.665 437 HB3 GLU 52 2HB GLU 52 -9.569 -5.764 0.896 438 HG2 GLU 52 1HG GLU 52 -11.580 -5.293 1.680 439 HG3 GLU 52 2HG GLU 52 -11.199 -3.584 1.486 440 H VAL 53 H VAL 53 -6.982 -5.115 1.422 441 HA VAL 53 HA VAL 53 -7.427 -4.357 4.188 442 HB VAL 53 HB VAL 53 -5.282 -6.140 3.030 443 HG11 VAL 53 1HG1 VAL 53 -6.079 -6.665 5.754 444 HG12 VAL 53 2HG1 VAL 53 -4.472 -6.357 5.091 445 HG13 VAL 53 3HG1 VAL 53 -5.505 -5.008 5.565 446 HG21 VAL 53 3HG2 VAL 53 -8.100 -6.645 3.836 447 HG22 VAL 53 1HG2 VAL 53 -7.156 -7.349 2.523 448 HG23 VAL 53 2HG2 VAL 53 -6.892 -7.883 4.183 449 H VAL 54 H VAL 54 -4.737 -4.189 1.856 450 HA VAL 54 HA VAL 54 -2.899 -2.813 3.383 451 HB VAL 54 HB VAL 54 -3.391 -2.419 0.428 452 HG11 VAL 54 1HG1 VAL 54 -1.888 -0.762 0.881 453 HG12 VAL 54 2HG1 VAL 54 -1.219 -1.599 2.283 454 HG13 VAL 54 3HG1 VAL 54 -0.774 -2.111 0.655 455 HG21 VAL 54 3HG2 VAL 54 -2.671 -4.749 1.813 456 HG22 VAL 54 1HG2 VAL 54 -2.602 -4.466 0.073 457 HG23 VAL 54 2HG2 VAL 54 -1.187 -4.143 1.077 458 H ARG 55 H ARG 55 -5.780 -1.621 1.818 459 HA ARG 55 HA ARG 55 -5.245 1.111 1.763 460 HB2 ARG 55 1HB ARG 55 -7.192 0.240 0.656 461 HB3 ARG 55 2HB ARG 55 -7.843 -0.371 2.170 462 HG2 ARG 55 1HG ARG 55 -8.454 1.737 2.910 463 HG3 ARG 55 2HG ARG 55 -7.339 2.552 1.812 464 HD2 ARG 55 1HD ARG 55 -9.283 2.934 0.692 465 HD3 ARG 55 2HD ARG 55 -8.867 1.370 -0.006 466 HE ARG 55 HE ARG 55 -10.371 0.700 2.135 467 HH11 ARG 55 1HH1 ARG 55 -10.849 2.899 -0.520 468 HH12 ARG 55 2HH1 ARG 55 -12.572 2.718 -0.531 469 HH21 ARG 55 1HH2 ARG 55 -12.638 0.452 2.132 470 HH22 ARG 55 2HH2 ARG 55 -13.589 1.326 0.978 471 H GLN 56 H GLN 56 -6.558 -0.898 4.368 472 HA GLN 56 HA GLN 56 -6.749 1.362 6.166 473 HB2 GLN 56 1HB GLN 56 -8.437 -0.375 6.312 474 HB3 GLN 56 2HB GLN 56 -7.203 -1.593 6.600 475 HG2 GLN 56 1HG GLN 56 -8.199 -1.116 8.685 476 HG3 GLN 56 2HG GLN 56 -6.605 -0.363 8.695 477 HE21 GLN 56 2HE2 GLN 56 -6.447 1.766 9.047 478 HE22 GLN 56 1HE2 GLN 56 -7.788 2.842 9.216 479 H ILE 57 H ILE 57 -4.666 -1.435 5.678 480 HA ILE 57 HA ILE 57 -3.152 -1.235 8.030 481 HB ILE 57 HB ILE 57 -2.285 -2.248 5.320 482 HG12 ILE 57 1HG1 ILE 57 -4.266 -3.395 6.268 483 HG13 ILE 57 2HG1 ILE 57 -2.861 -4.452 6.173 484 HG21 ILE 57 1HG2 ILE 57 -0.283 -1.989 6.430 485 HG22 ILE 57 2HG2 ILE 57 -0.998 -2.297 8.012 486 HG23 ILE 57 3HG2 ILE 57 -0.730 -3.632 6.890 487 HD11 ILE 57 3HD1 ILE 57 -2.853 -3.197 8.715 488 HD12 ILE 57 1HD1 ILE 57 -4.465 -3.848 8.417 489 HD13 ILE 57 2HD1 ILE 57 -3.055 -4.904 8.323 490 H ALA 58 H ALA 58 -2.709 0.250 4.845 491 HA ALA 58 HA ALA 58 -0.223 1.454 5.327 492 HB1 ALA 58 3HB ALA 58 -0.673 1.592 3.117 493 HB2 ALA 58 1HB ALA 58 -2.406 1.799 3.371 494 HB3 ALA 58 2HB ALA 58 -1.313 3.170 3.573 495 H ILE 59 H ILE 59 -3.337 2.193 6.537 496 HA ILE 59 HA ILE 59 -2.789 4.972 7.096 497 HB ILE 59 HB ILE 59 -5.031 3.205 8.082 498 HG12 ILE 59 1HG1 ILE 59 -5.125 5.317 5.928 499 HG13 ILE 59 2HG1 ILE 59 -4.857 3.613 5.581 500 HG21 ILE 59 1HG2 ILE 59 -4.218 5.887 8.782 501 HG22 ILE 59 2HG2 ILE 59 -5.846 5.861 8.106 502 HG23 ILE 59 3HG2 ILE 59 -5.456 4.861 9.505 503 HD11 ILE 59 3HD1 ILE 59 -7.111 3.650 7.196 504 HD12 ILE 59 1HD1 ILE 59 -7.312 5.024 6.109 505 HD13 ILE 59 2HD1 ILE 59 -7.056 3.407 5.450 506 H THR 60 H THR 60 -3.039 1.966 8.968 507 HA THR 60 HA THR 60 -2.200 3.309 11.399 508 HB THR 60 HB THR 60 -2.579 1.259 12.534 509 HG1 THR 60 HG1 THR 60 -2.567 0.060 9.948 510 HG21 THR 60 3HG2 THR 60 -4.850 0.686 11.915 511 HG22 THR 60 1HG2 THR 60 -4.625 1.395 10.317 512 HG23 THR 60 2HG2 THR 60 -4.615 2.425 11.748 513 H ARG 61 H ARG 61 -0.625 2.196 8.737 514 HA ARG 61 HA ARG 61 1.779 1.477 10.282 515 HB2 ARG 61 1HB ARG 61 0.947 0.617 7.508 516 HB3 ARG 61 2HB ARG 61 2.527 0.291 8.208 517 HG2 ARG 61 1HG ARG 61 -0.104 -0.673 9.310 518 HG3 ARG 61 2HG ARG 61 1.035 -1.636 8.366 519 HD2 ARG 61 1HD ARG 61 2.738 -0.942 10.199 520 HD3 ARG 61 2HD ARG 61 1.299 -0.576 11.151 521 HE ARG 61 HE ARG 61 0.912 -3.117 10.176 522 HH11 ARG 61 1HH1 ARG 61 3.284 -1.513 12.155 523 HH12 ARG 61 2HH1 ARG 61 3.679 -2.935 13.063 524 HH21 ARG 61 1HH2 ARG 61 1.423 -4.996 11.364 525 HH22 ARG 61 2HH2 ARG 61 2.620 -4.915 12.611 526 H LEU 62 H LEU 62 0.708 3.008 7.251 527 HA LEU 62 HA LEU 62 3.205 4.530 7.160 528 HB2 LEU 62 1HB LEU 62 1.321 3.531 5.207 529 HB3 LEU 62 2HB LEU 62 1.637 5.249 4.976 530 HG LEU 62 HG LEU 62 3.749 3.097 5.064 531 HD11 LEU 62 1HD1 LEU 62 3.866 3.206 2.723 532 HD12 LEU 62 2HD1 LEU 62 2.844 4.640 2.653 533 HD13 LEU 62 3HD1 LEU 62 2.145 3.081 3.092 534 HD21 LEU 62 3HD2 LEU 62 3.828 6.066 4.629 535 HD22 LEU 62 1HD2 LEU 62 5.098 5.001 4.027 536 HD23 LEU 62 2HD2 LEU 62 4.767 5.088 5.757 537 H LYS 63 H LYS 63 0.609 4.925 8.858 538 HA LYS 63 HA LYS 63 -0.630 6.658 9.669 539 HB2 LYS 63 1HB LYS 63 1.982 7.929 8.925 540 HB3 LYS 63 2HB LYS 63 0.671 8.922 9.548 541 HG2 LYS 63 1HG LYS 63 1.118 8.314 11.628 542 HG3 LYS 63 2HG LYS 63 1.033 6.602 11.202 543 HD2 LYS 63 1HD LYS 63 3.214 6.709 11.864 544 HD3 LYS 63 2HD LYS 63 3.415 7.128 10.161 545 HE2 LYS 63 1HE LYS 63 3.592 9.435 10.654 546 HE3 LYS 63 2HE LYS 63 3.022 9.199 12.306 547 HZ1 LYS 63 3HZ LYS 63 5.038 8.441 12.994 548 HZ2 LYS 63 1HZ LYS 63 5.561 9.472 11.758 549 HZ3 LYS 63 2HZ LYS 63 5.461 7.806 11.484 550 H TRP 64 H TRP 64 -1.002 5.951 6.853 551 HA TRP 64 HA TRP 64 -1.361 8.322 5.324 552 HB2 TRP 64 1HB TRP 64 -1.093 6.018 4.367 553 HB3 TRP 64 2HB TRP 64 -2.721 5.651 4.929 554 HD1 TRP 64 HD1 TRP 64 -1.153 8.494 2.775 555 HE1 TRP 64 HE1 TRP 64 -2.712 8.902 0.767 556 HE3 TRP 64 HE3 TRP 64 -4.772 5.043 3.840 557 HZ2 TRP 64 HZ2 TRP 64 -5.152 7.896 -0.232 558 HZ3 TRP 64 HZ3 TRP 64 -6.686 4.829 2.307 559 HH2 TRP 64 HH2 TRP 64 -6.869 6.227 0.314 560 H VAL 65 H VAL 65 -3.359 9.276 4.657 561 HA VAL 65 HA VAL 65 -5.740 8.677 6.216 562 HB VAL 65 HB VAL 65 -6.004 11.139 6.788 563 HG11 VAL 65 1HG1 VAL 65 -3.670 10.133 8.310 564 HG12 VAL 65 2HG1 VAL 65 -5.224 10.741 8.885 565 HG13 VAL 65 3HG1 VAL 65 -5.098 9.100 8.248 566 HG21 VAL 65 3HG2 VAL 65 -3.054 11.116 6.158 567 HG22 VAL 65 1HG2 VAL 65 -4.304 12.073 5.364 568 HG23 VAL 65 2HG2 VAL 65 -3.879 12.399 7.045 569 H GLU 66 H GLU 66 -7.402 8.697 4.864 570 HA GLU 66 HA GLU 66 -7.318 9.421 2.205 571 HB2 GLU 66 1HB GLU 66 -9.869 9.549 2.415 572 HB3 GLU 66 2HB GLU 66 -9.096 8.031 2.849 573 HG2 GLU 66 1HG GLU 66 -9.860 8.131 4.927 574 HG3 GLU 66 2HG GLU 66 -9.324 9.798 5.125 575 HA PRO 67 HA PRO 67 -7.662 13.787 1.940 576 HB2 PRO 67 1HB PRO 67 -9.224 14.082 -0.261 577 HB3 PRO 67 2HB PRO 67 -7.542 13.546 -0.342 578 HG2 PRO 67 1HG PRO 67 -10.054 11.921 -0.435 579 HG3 PRO 67 2HG PRO 67 -8.587 11.769 -1.418 580 HD2 PRO 67 1HD PRO 67 -9.098 10.154 0.695 581 HD3 PRO 67 2HD PRO 67 -7.451 10.624 0.229 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.184 -2.650 14.088 2 HA2 GLY 1 1HA GLY 1 14.551 -2.513 15.792 3 HA3 GLY 1 2HA GLY 1 12.997 -2.273 16.577 4 HA PRO 2 HA PRO 2 14.057 -6.817 16.552 5 HB2 PRO 2 1HB PRO 2 13.724 -7.176 19.222 6 HB3 PRO 2 2HB PRO 2 15.260 -6.677 18.505 7 HG2 PRO 2 1HG PRO 2 13.159 -5.009 19.833 8 HG3 PRO 2 2HG PRO 2 14.923 -4.928 19.998 9 HD2 PRO 2 1HD PRO 2 13.526 -3.215 18.434 10 HD3 PRO 2 2HD PRO 2 15.177 -3.736 18.043 11 H LEU 3 H LEU 3 12.130 -7.270 15.463 12 HA LEU 3 HA LEU 3 9.933 -8.064 17.187 13 HB2 LEU 3 1HB LEU 3 9.832 -5.780 15.349 14 HB3 LEU 3 2HB LEU 3 8.510 -6.930 15.159 15 HG LEU 3 HG LEU 3 8.750 -6.415 17.924 16 HD11 LEU 3 1HD1 LEU 3 8.479 -3.827 16.430 17 HD12 LEU 3 2HD1 LEU 3 10.029 -4.378 17.064 18 HD13 LEU 3 3HD1 LEU 3 8.680 -4.090 18.162 19 HD21 LEU 3 3HD2 LEU 3 6.508 -5.969 17.758 20 HD22 LEU 3 1HD2 LEU 3 6.764 -6.864 16.261 21 HD23 LEU 3 2HD2 LEU 3 6.679 -5.102 16.231 22 H GLY 4 H GLY 4 10.128 -10.185 16.659 23 HA2 GLY 4 1HA GLY 4 10.408 -10.991 13.882 24 HA3 GLY 4 2HA GLY 4 10.391 -12.053 15.281 25 H SER 5 H SER 5 9.000 -13.344 13.819 26 HA SER 5 HA SER 5 6.303 -13.162 14.584 27 HB2 SER 5 1HB SER 5 6.647 -11.288 12.750 28 HB3 SER 5 2HB SER 5 6.506 -12.652 11.643 29 HG SER 5 HG SER 5 4.602 -11.527 13.343 30 H VAL 6 H VAL 6 4.974 -14.859 13.630 31 HA VAL 6 HA VAL 6 6.432 -17.261 13.265 32 HB VAL 6 HB VAL 6 4.242 -18.309 12.832 33 HG11 VAL 6 1HG1 VAL 6 3.678 -18.282 15.019 34 HG12 VAL 6 2HG1 VAL 6 5.171 -17.352 15.169 35 HG13 VAL 6 3HG1 VAL 6 3.617 -16.521 15.092 36 HG21 VAL 6 3HG2 VAL 6 2.719 -15.862 13.387 37 HG22 VAL 6 1HG2 VAL 6 3.502 -15.905 11.807 38 HG23 VAL 6 2HG2 VAL 6 2.379 -17.183 12.270 39 H ALA 7 H ALA 7 5.427 -18.750 11.349 40 HA ALA 7 HA ALA 7 6.303 -17.406 8.898 41 HB1 ALA 7 3HB ALA 7 6.393 -19.766 8.001 42 HB2 ALA 7 1HB ALA 7 7.523 -19.389 9.303 43 HB3 ALA 7 2HB ALA 7 6.058 -20.309 9.644 44 H LYS 8 H LYS 8 3.670 -16.899 9.970 45 HA LYS 8 HA LYS 8 2.099 -17.780 7.658 46 HB2 LYS 8 1HB LYS 8 1.663 -18.590 10.390 47 HB3 LYS 8 2HB LYS 8 0.290 -17.656 9.812 48 HG2 LYS 8 1HG LYS 8 1.311 -19.749 7.999 49 HG3 LYS 8 2HG LYS 8 0.517 -20.297 9.478 50 HD2 LYS 8 1HD LYS 8 -1.294 -18.525 8.770 51 HD3 LYS 8 2HD LYS 8 -0.598 -18.776 7.167 52 HE2 LYS 8 1HE LYS 8 -1.179 -21.044 7.148 53 HE3 LYS 8 2HE LYS 8 -1.431 -21.085 8.893 54 HZ1 LYS 8 3HZ LYS 8 -3.172 -19.189 7.797 55 HZ2 LYS 8 1HZ LYS 8 -3.560 -20.650 8.558 56 HZ3 LYS 8 2HZ LYS 8 -3.317 -20.606 6.885 57 H LYS 9 H LYS 9 0.226 -16.429 7.233 58 HA LYS 9 HA LYS 9 -0.802 -14.421 6.945 59 HB2 LYS 9 1HB LYS 9 -0.519 -14.724 9.701 60 HB3 LYS 9 2HB LYS 9 0.076 -13.101 9.381 61 HG2 LYS 9 1HG LYS 9 -1.963 -12.325 8.747 62 HG3 LYS 9 2HG LYS 9 -2.486 -13.889 8.118 63 HD2 LYS 9 1HD LYS 9 -2.077 -13.460 11.059 64 HD3 LYS 9 2HD LYS 9 -3.587 -12.993 10.273 65 HE2 LYS 9 1HE LYS 9 -3.587 -15.388 9.332 66 HE3 LYS 9 2HE LYS 9 -2.384 -15.725 10.575 67 HZ1 LYS 9 3HZ LYS 9 -5.163 -14.773 10.986 68 HZ2 LYS 9 1HZ LYS 9 -4.008 -14.858 12.219 69 HZ3 LYS 9 2HZ LYS 9 -4.516 -16.269 11.438 70 H ILE 10 H ILE 10 -0.386 -12.042 6.733 71 HA ILE 10 HA ILE 10 2.188 -11.642 5.550 72 HB ILE 10 HB ILE 10 0.023 -9.601 6.069 73 HG12 ILE 10 1HG1 ILE 10 -0.770 -11.517 4.719 74 HG13 ILE 10 2HG1 ILE 10 -0.707 -10.029 3.783 75 HG21 ILE 10 1HG2 ILE 10 1.127 -8.450 4.123 76 HG22 ILE 10 2HG2 ILE 10 2.064 -8.481 5.616 77 HG23 ILE 10 3HG2 ILE 10 2.459 -9.591 4.304 78 HD11 ILE 10 3HD1 ILE 10 1.363 -12.211 3.727 79 HD12 ILE 10 1HD1 ILE 10 0.103 -11.954 2.520 80 HD13 ILE 10 2HD1 ILE 10 1.364 -10.743 2.751 81 H THR 11 H THR 11 3.951 -10.702 6.374 82 HA THR 11 HA THR 11 3.759 -9.579 9.088 83 HB THR 11 HB THR 11 6.213 -10.676 7.703 84 HG1 THR 11 HG1 THR 11 5.617 -12.559 8.454 85 HG21 THR 11 3HG2 THR 11 7.203 -10.601 9.954 86 HG22 THR 11 1HG2 THR 11 5.735 -9.845 10.569 87 HG23 THR 11 2HG2 THR 11 6.737 -8.996 9.392 88 H TRP 12 H TRP 12 3.265 -7.457 8.540 89 HA TRP 12 HA TRP 12 4.761 -5.984 6.603 90 HB2 TRP 12 1HB TRP 12 2.812 -5.156 8.755 91 HB3 TRP 12 2HB TRP 12 3.585 -4.000 7.675 92 HD1 TRP 12 HD1 TRP 12 0.591 -6.138 7.930 93 HE1 TRP 12 HE1 TRP 12 -0.650 -6.233 5.678 94 HE3 TRP 12 HE3 TRP 12 4.200 -4.114 4.928 95 HZ2 TRP 12 HZ2 TRP 12 -0.164 -5.542 2.984 96 HZ3 TRP 12 HZ3 TRP 12 3.732 -3.866 2.525 97 HH2 TRP 12 HH2 TRP 12 1.595 -4.566 1.575 98 H ARG 13 H ARG 13 6.849 -5.558 6.909 99 HA ARG 13 HA ARG 13 7.762 -4.827 9.607 100 HB2 ARG 13 1HB ARG 13 9.390 -5.736 7.225 101 HB3 ARG 13 2HB ARG 13 10.014 -5.400 8.835 102 HG2 ARG 13 1HG ARG 13 8.508 -7.225 9.684 103 HG3 ARG 13 2HG ARG 13 8.187 -7.634 7.998 104 HD2 ARG 13 1HD ARG 13 11.028 -7.355 8.650 105 HD3 ARG 13 2HD ARG 13 10.215 -8.659 9.514 106 HE ARG 13 HE ARG 13 9.420 -9.059 6.975 107 HH11 ARG 13 1HH1 ARG 13 12.552 -8.553 8.408 108 HH12 ARG 13 2HH1 ARG 13 13.391 -9.500 7.225 109 HH21 ARG 13 1HH2 ARG 13 10.513 -10.307 5.410 110 HH22 ARG 13 2HH2 ARG 13 12.231 -10.496 5.519 111 H LYS 14 H LYS 14 9.714 -3.277 9.533 112 HA LYS 14 HA LYS 14 8.834 -0.802 8.533 113 HB2 LYS 14 1HB LYS 14 10.621 -1.519 10.406 114 HB3 LYS 14 2HB LYS 14 11.729 -1.149 9.092 115 HG2 LYS 14 1HG LYS 14 11.469 0.804 10.440 116 HG3 LYS 14 2HG LYS 14 10.665 1.085 8.894 117 HD2 LYS 14 1HD LYS 14 8.897 -0.085 10.892 118 HD3 LYS 14 2HD LYS 14 9.565 1.471 11.395 119 HE2 LYS 14 1HE LYS 14 8.677 1.449 8.620 120 HE3 LYS 14 2HE LYS 14 7.380 1.093 9.760 121 HZ1 LYS 14 3HZ LYS 14 7.660 3.131 10.825 122 HZ2 LYS 14 1HZ LYS 14 7.804 3.515 9.184 123 HZ3 LYS 14 2HZ LYS 14 9.188 3.399 10.148 124 H GLN 15 H GLN 15 10.975 -3.236 7.218 125 HA GLN 15 HA GLN 15 12.067 -1.604 5.151 126 HB2 GLN 15 1HB GLN 15 13.193 -3.636 5.969 127 HB3 GLN 15 2HB GLN 15 11.877 -4.616 5.335 128 HG2 GLN 15 1HG GLN 15 12.430 -4.004 3.084 129 HG3 GLN 15 2HG GLN 15 13.642 -2.856 3.651 130 HE21 GLN 15 2HE2 GLN 15 14.805 -4.313 2.020 131 HE22 GLN 15 1HE2 GLN 15 15.650 -5.662 2.690 132 H ASP 16 H ASP 16 9.319 -3.792 5.392 133 HA ASP 16 HA ASP 16 8.678 -3.798 2.627 134 HB2 ASP 16 1HB ASP 16 7.183 -4.527 5.128 135 HB3 ASP 16 2HB ASP 16 6.358 -4.495 3.572 136 H LEU 17 H LEU 17 7.339 -1.996 5.389 137 HA LEU 17 HA LEU 17 5.465 -0.502 3.934 138 HB2 LEU 17 1HB LEU 17 6.784 -0.259 6.579 139 HB3 LEU 17 2HB LEU 17 5.982 1.173 5.938 140 HG LEU 17 HG LEU 17 4.577 -0.148 7.494 141 HD11 LEU 17 1HD1 LEU 17 3.395 1.244 6.020 142 HD12 LEU 17 2HD1 LEU 17 2.606 -0.329 5.897 143 HD13 LEU 17 3HD1 LEU 17 3.721 0.198 4.636 144 HD21 LEU 17 3HD2 LEU 17 4.801 -2.239 5.334 145 HD22 LEU 17 1HD2 LEU 17 3.614 -2.270 6.639 146 HD23 LEU 17 2HD2 LEU 17 5.336 -2.373 7.010 147 H ASP 18 H ASP 18 8.889 -0.054 4.465 148 HA ASP 18 HA ASP 18 9.161 2.630 3.767 149 HB2 ASP 18 1HB ASP 18 10.960 1.148 4.702 150 HB3 ASP 18 2HB ASP 18 11.121 0.426 3.104 151 H ARG 19 H ARG 19 9.030 -0.257 1.728 152 HA ARG 19 HA ARG 19 9.511 1.157 -0.708 153 HB2 ARG 19 1HB ARG 19 9.544 -1.484 0.029 154 HB3 ARG 19 2HB ARG 19 8.061 -1.389 -0.912 155 HG2 ARG 19 1HG ARG 19 9.154 -1.033 -2.858 156 HG3 ARG 19 2HG ARG 19 10.455 -0.122 -2.089 157 HD2 ARG 19 1HD ARG 19 11.288 -2.279 -1.135 158 HD3 ARG 19 2HD ARG 19 10.081 -3.113 -2.115 159 HE ARG 19 HE ARG 19 11.417 -2.811 -3.945 160 HH11 ARG 19 1HH1 ARG 19 12.450 -0.648 -1.420 161 HH12 ARG 19 2HH1 ARG 19 13.864 -0.122 -2.270 162 HH21 ARG 19 1HH2 ARG 19 13.278 -2.126 -5.074 163 HH22 ARG 19 2HH2 ARG 19 14.334 -0.963 -4.349 164 H LEU 20 H LEU 20 6.610 -0.142 0.875 165 HA LEU 20 HA LEU 20 4.720 0.421 -1.055 166 HB2 LEU 20 1HB LEU 20 4.178 -0.823 0.934 167 HB3 LEU 20 2HB LEU 20 4.489 0.586 1.945 168 HG LEU 20 HG LEU 20 2.545 1.682 0.668 169 HD11 LEU 20 1HD1 LEU 20 1.570 -1.096 0.234 170 HD12 LEU 20 2HD1 LEU 20 2.624 -0.365 -0.977 171 HD13 LEU 20 3HD1 LEU 20 1.096 0.407 -0.558 172 HD21 LEU 20 3HD2 LEU 20 0.968 0.849 2.245 173 HD22 LEU 20 1HD2 LEU 20 2.542 0.866 3.040 174 HD23 LEU 20 2HD2 LEU 20 1.869 -0.654 2.449 175 H LYS 21 H LYS 21 6.187 2.583 1.304 176 HA LYS 21 HA LYS 21 4.488 4.795 0.882 177 HB2 LYS 21 1HB LYS 21 6.044 4.522 2.814 178 HB3 LYS 21 2HB LYS 21 7.390 4.836 1.727 179 HG2 LYS 21 1HG LYS 21 6.169 7.037 1.194 180 HG3 LYS 21 2HG LYS 21 5.254 6.708 2.668 181 HD2 LYS 21 1HD LYS 21 7.756 6.296 3.570 182 HD3 LYS 21 2HD LYS 21 8.079 7.496 2.318 183 HE2 LYS 21 1HE LYS 21 5.775 8.134 3.999 184 HE3 LYS 21 2HE LYS 21 7.294 8.040 4.888 185 HZ1 LYS 21 3HZ LYS 21 7.981 9.468 2.708 186 HZ2 LYS 21 1HZ LYS 21 7.562 10.134 4.206 187 HZ3 LYS 21 2HZ LYS 21 6.400 10.006 2.982 188 H ARG 22 H ARG 22 7.542 3.820 -0.620 189 HA ARG 22 HA ARG 22 7.967 6.096 -2.183 190 HB2 ARG 22 1HB ARG 22 9.105 3.499 -1.924 191 HB3 ARG 22 2HB ARG 22 8.821 3.794 -3.634 192 HG2 ARG 22 1HG ARG 22 10.130 5.926 -2.029 193 HG3 ARG 22 2HG ARG 22 11.068 4.500 -2.475 194 HD2 ARG 22 1HD ARG 22 11.491 5.825 -4.287 195 HD3 ARG 22 2HD ARG 22 10.043 4.996 -4.853 196 HE ARG 22 HE ARG 22 9.145 7.264 -3.586 197 HH11 ARG 22 1HH1 ARG 22 11.261 6.542 -6.254 198 HH12 ARG 22 2HH1 ARG 22 10.908 8.013 -7.101 199 HH21 ARG 22 1HH2 ARG 22 8.672 9.203 -4.690 200 HH22 ARG 22 2HH2 ARG 22 9.437 9.525 -6.210 201 H VAL 23 H VAL 23 5.742 3.469 -2.552 202 HA VAL 23 HA VAL 23 5.196 3.992 -5.339 203 HB VAL 23 HB VAL 23 3.561 2.323 -3.428 204 HG11 VAL 23 1HG1 VAL 23 2.850 1.168 -5.474 205 HG12 VAL 23 2HG1 VAL 23 2.428 2.881 -5.507 206 HG13 VAL 23 3HG1 VAL 23 3.809 2.295 -6.435 207 HG21 VAL 23 3HG2 VAL 23 5.909 1.593 -3.430 208 HG22 VAL 23 1HG2 VAL 23 4.847 0.403 -4.180 209 HG23 VAL 23 2HG2 VAL 23 5.852 1.446 -5.185 210 H ILE 24 H ILE 24 3.448 4.418 -2.268 211 HA ILE 24 HA ILE 24 1.129 5.569 -3.263 212 HB ILE 24 HB ILE 24 2.511 6.214 -0.655 213 HG12 ILE 24 1HG1 ILE 24 0.237 4.283 -1.088 214 HG13 ILE 24 2HG1 ILE 24 1.919 3.774 -1.194 215 HG21 ILE 24 1HG2 ILE 24 0.826 7.875 -1.240 216 HG22 ILE 24 2HG2 ILE 24 -0.361 6.597 -1.492 217 HG23 ILE 24 3HG2 ILE 24 0.290 6.890 0.120 218 HD11 ILE 24 3HD1 ILE 24 0.511 4.917 1.203 219 HD12 ILE 24 1HD1 ILE 24 1.106 3.271 0.989 220 HD13 ILE 24 2HD1 ILE 24 2.246 4.611 1.123 221 H ALA 25 H ALA 25 4.302 6.922 -2.907 222 HA ALA 25 HA ALA 25 3.477 9.665 -3.106 223 HB1 ALA 25 3HB ALA 25 5.936 8.230 -2.654 224 HB2 ALA 25 1HB ALA 25 6.162 9.516 -3.840 225 HB3 ALA 25 2HB ALA 25 5.512 9.893 -2.244 226 H LEU 26 H LEU 26 4.368 7.131 -5.326 227 HA LEU 26 HA LEU 26 4.613 8.963 -7.567 228 HB2 LEU 26 1HB LEU 26 5.464 6.309 -6.973 229 HB3 LEU 26 2HB LEU 26 4.487 6.270 -8.439 230 HG LEU 26 HG LEU 26 6.222 8.395 -8.844 231 HD11 LEU 26 1HD1 LEU 26 7.596 6.157 -7.384 232 HD12 LEU 26 2HD1 LEU 26 7.661 7.887 -7.054 233 HD13 LEU 26 3HD1 LEU 26 8.448 7.233 -8.490 234 HD21 LEU 26 3HD2 LEU 26 6.624 5.550 -9.753 235 HD22 LEU 26 1HD2 LEU 26 7.135 7.026 -10.573 236 HD23 LEU 26 2HD2 LEU 26 5.418 6.642 -10.435 237 H LYS 27 H LYS 27 2.577 6.139 -6.782 238 HA LYS 27 HA LYS 27 0.736 6.597 -8.886 239 HB2 LYS 27 1HB LYS 27 0.941 4.793 -6.560 240 HB3 LYS 27 2HB LYS 27 -0.699 5.132 -7.100 241 HG2 LYS 27 1HG LYS 27 0.003 3.166 -8.209 242 HG3 LYS 27 2HG LYS 27 0.027 4.462 -9.407 243 HD2 LYS 27 1HD LYS 27 2.569 4.486 -8.252 244 HD3 LYS 27 2HD LYS 27 2.178 2.779 -8.474 245 HE2 LYS 27 1HE LYS 27 1.577 4.612 -10.722 246 HE3 LYS 27 2HE LYS 27 3.275 4.274 -10.393 247 HZ1 LYS 27 3HZ LYS 27 1.403 2.658 -11.715 248 HZ2 LYS 27 1HZ LYS 27 1.888 1.854 -10.306 249 HZ3 LYS 27 2HZ LYS 27 3.044 2.353 -11.437 250 H LYS 28 H LYS 28 0.637 7.323 -5.412 251 HA LYS 28 HA LYS 28 -0.664 8.725 -4.179 252 HB2 LYS 28 1HB LYS 28 -0.694 10.150 -6.839 253 HB3 LYS 28 2HB LYS 28 -1.429 10.826 -5.391 254 HG2 LYS 28 1HG LYS 28 1.148 10.074 -4.625 255 HG3 LYS 28 2HG LYS 28 1.324 10.820 -6.215 256 HD2 LYS 28 1HD LYS 28 0.591 12.864 -5.487 257 HD3 LYS 28 2HD LYS 28 -0.414 12.170 -4.213 258 HE2 LYS 28 1HE LYS 28 1.364 11.945 -2.754 259 HE3 LYS 28 2HE LYS 28 2.559 11.929 -4.051 260 HZ1 LYS 28 3HZ LYS 28 1.218 14.390 -4.098 261 HZ2 LYS 28 1HZ LYS 28 2.850 14.089 -3.769 262 HZ3 LYS 28 2HZ LYS 28 1.722 14.099 -2.509 263 HA PRO 29 HA PRO 29 -4.528 6.698 -5.769 264 HB2 PRO 29 1HB PRO 29 -5.098 5.428 -3.438 265 HB3 PRO 29 2HB PRO 29 -4.038 4.738 -4.673 266 HG2 PRO 29 1HG PRO 29 -3.320 6.177 -2.148 267 HG3 PRO 29 2HG PRO 29 -2.601 4.713 -2.845 268 HD2 PRO 29 1HD PRO 29 -1.459 7.156 -3.091 269 HD3 PRO 29 2HD PRO 29 -1.317 5.905 -4.343 270 H SER 30 H SER 30 -6.742 6.767 -4.697 271 HA SER 30 HA SER 30 -7.006 9.137 -2.973 272 HB2 SER 30 1HB SER 30 -8.975 8.518 -5.168 273 HB3 SER 30 2HB SER 30 -8.760 10.026 -4.278 274 HG SER 30 HG SER 30 -7.778 9.554 -6.577 275 H ALA 31 H ALA 31 -6.962 6.654 -1.886 276 HA ALA 31 HA ALA 31 -8.109 5.195 -0.566 277 HB1 ALA 31 3HB ALA 31 -9.931 7.585 -0.517 278 HB2 ALA 31 1HB ALA 31 -10.244 6.136 0.439 279 HB3 ALA 31 2HB ALA 31 -8.766 7.065 0.702 280 H SER 32 H SER 32 -8.341 3.821 -2.487 281 HA SER 32 HA SER 32 -10.921 2.780 -2.748 282 HB2 SER 32 1HB SER 32 -10.204 4.895 -4.693 283 HB3 SER 32 2HB SER 32 -10.913 3.432 -5.377 284 HG SER 32 HG SER 32 -12.732 4.300 -4.790 285 H ASP 33 H ASP 33 -10.803 0.754 -3.531 286 HA ASP 33 HA ASP 33 -8.359 -0.494 -3.962 287 HB2 ASP 33 1HB ASP 33 -10.997 -1.468 -5.065 288 HB3 ASP 33 2HB ASP 33 -9.601 -2.440 -4.607 289 H ALA 34 H ALA 34 -10.404 1.221 -6.171 290 HA ALA 34 HA ALA 34 -9.444 0.137 -8.596 291 HB1 ALA 34 3HB ALA 34 -11.400 1.315 -8.875 292 HB2 ALA 34 1HB ALA 34 -10.876 2.641 -7.836 293 HB3 ALA 34 2HB ALA 34 -10.213 2.478 -9.463 294 H ASP 35 H ASP 35 -8.271 2.681 -6.487 295 HA ASP 35 HA ASP 35 -6.172 3.402 -8.383 296 HB2 ASP 35 1HB ASP 35 -7.280 4.604 -5.891 297 HB3 ASP 35 2HB ASP 35 -5.602 4.955 -6.296 298 H TRP 36 H TRP 36 -6.621 1.765 -5.320 299 HA TRP 36 HA TRP 36 -3.884 1.596 -4.606 300 HB2 TRP 36 1HB TRP 36 -6.403 0.258 -3.738 301 HB3 TRP 36 2HB TRP 36 -4.875 -0.502 -3.302 302 HD1 TRP 36 HD1 TRP 36 -7.210 2.193 -2.235 303 HE1 TRP 36 HE1 TRP 36 -6.196 3.522 -0.279 304 HE3 TRP 36 HE3 TRP 36 -2.422 0.412 -2.440 305 HZ2 TRP 36 HZ2 TRP 36 -3.697 3.782 1.008 306 HZ3 TRP 36 HZ3 TRP 36 -0.781 1.253 -0.810 307 HH2 TRP 36 HH2 TRP 36 -1.407 2.903 0.876 308 H THR 37 H THR 37 -5.782 -0.044 -6.928 309 HA THR 37 HA THR 37 -4.497 -2.534 -7.041 310 HB THR 37 HB THR 37 -6.622 -1.907 -8.244 311 HG1 THR 37 HG1 THR 37 -6.251 -3.522 -9.623 312 HG21 THR 37 3HG2 THR 37 -4.806 -0.866 -10.404 313 HG22 THR 37 1HG2 THR 37 -5.572 0.202 -9.230 314 HG23 THR 37 2HG2 THR 37 -6.564 -0.776 -10.311 315 H GLU 38 H GLU 38 -3.637 0.598 -8.367 316 HA GLU 38 HA GLU 38 -1.485 -0.452 -9.974 317 HB2 GLU 38 1HB GLU 38 -2.357 2.348 -9.269 318 HB3 GLU 38 2HB GLU 38 -0.929 2.016 -10.240 319 HG2 GLU 38 1HG GLU 38 -2.316 0.877 -11.894 320 HG3 GLU 38 2HG GLU 38 -3.748 1.212 -10.923 321 H VAL 39 H VAL 39 -1.888 0.911 -6.789 322 HA VAL 39 HA VAL 39 0.912 1.357 -6.330 323 HB VAL 39 HB VAL 39 -1.285 1.145 -4.271 324 HG11 VAL 39 1HG1 VAL 39 0.990 2.955 -3.861 325 HG12 VAL 39 2HG1 VAL 39 0.197 1.853 -2.734 326 HG13 VAL 39 3HG1 VAL 39 1.398 1.239 -3.871 327 HG21 VAL 39 3HG2 VAL 39 -0.601 3.837 -4.755 328 HG22 VAL 39 1HG2 VAL 39 -0.900 3.092 -6.325 329 HG23 VAL 39 2HG2 VAL 39 -2.139 3.033 -5.070 330 H LEU 40 H LEU 40 -1.407 -1.193 -5.613 331 HA LEU 40 HA LEU 40 0.454 -2.706 -4.021 332 HB2 LEU 40 1HB LEU 40 -1.294 -4.035 -3.505 333 HB3 LEU 40 2HB LEU 40 -2.212 -2.648 -4.090 334 HG LEU 40 HG LEU 40 -2.026 -3.982 -6.382 335 HD11 LEU 40 1HD1 LEU 40 -0.897 -5.801 -4.593 336 HD12 LEU 40 2HD1 LEU 40 -1.417 -6.111 -6.248 337 HD13 LEU 40 3HD1 LEU 40 -2.524 -6.402 -4.906 338 HD21 LEU 40 3HD2 LEU 40 -3.989 -4.686 -4.202 339 HD22 LEU 40 1HD2 LEU 40 -4.234 -4.873 -5.939 340 HD23 LEU 40 2HD2 LEU 40 -4.083 -3.261 -5.238 341 H ARG 41 H ARG 41 -0.248 -2.373 -7.352 342 HA ARG 41 HA ARG 41 0.303 -4.863 -8.408 343 HB2 ARG 41 1HB ARG 41 0.243 -2.141 -9.365 344 HB3 ARG 41 2HB ARG 41 1.565 -3.023 -10.118 345 HG2 ARG 41 1HG ARG 41 -0.136 -4.824 -10.662 346 HG3 ARG 41 2HG ARG 41 -1.368 -3.650 -10.195 347 HD2 ARG 41 1HD ARG 41 -1.052 -2.385 -12.043 348 HD3 ARG 41 2HD ARG 41 0.684 -2.686 -12.079 349 HE ARG 41 HE ARG 41 -1.365 -4.177 -13.441 350 HH11 ARG 41 1HH1 ARG 41 1.874 -4.253 -12.167 351 HH12 ARG 41 2HH1 ARG 41 2.398 -5.527 -13.218 352 HH21 ARG 41 1HH2 ARG 41 -0.688 -5.854 -14.831 353 HH22 ARG 41 2HH2 ARG 41 0.940 -6.436 -14.733 354 H LEU 42 H LEU 42 2.593 -2.304 -7.509 355 HA LEU 42 HA LEU 42 4.918 -3.696 -8.324 356 HB2 LEU 42 1HB LEU 42 4.266 -1.233 -6.935 357 HB3 LEU 42 2HB LEU 42 5.698 -2.012 -6.264 358 HG LEU 42 HG LEU 42 6.614 -2.063 -8.625 359 HD11 LEU 42 1HD1 LEU 42 4.264 -0.228 -9.055 360 HD12 LEU 42 2HD1 LEU 42 4.612 -1.741 -9.890 361 HD13 LEU 42 3HD1 LEU 42 5.648 -0.338 -10.141 362 HD21 LEU 42 3HD2 LEU 42 6.125 0.470 -7.092 363 HD22 LEU 42 1HD2 LEU 42 7.098 0.452 -8.561 364 HD23 LEU 42 2HD2 LEU 42 7.586 -0.515 -7.169 365 H LEU 43 H LEU 43 3.383 -3.294 -5.141 366 HA LEU 43 HA LEU 43 5.246 -4.875 -3.724 367 HB2 LEU 43 1HB LEU 43 2.941 -3.369 -3.140 368 HB3 LEU 43 2HB LEU 43 2.639 -4.998 -2.538 369 HG LEU 43 HG LEU 43 5.018 -3.293 -1.801 370 HD11 LEU 43 1HD1 LEU 43 2.660 -2.593 -1.011 371 HD12 LEU 43 2HD1 LEU 43 3.957 -2.720 0.176 372 HD13 LEU 43 3HD1 LEU 43 2.765 -4.011 0.031 373 HD21 LEU 43 3HD2 LEU 43 4.197 -5.595 -0.159 374 HD22 LEU 43 1HD2 LEU 43 5.808 -5.019 -0.589 375 HD23 LEU 43 2HD2 LEU 43 4.883 -5.987 -1.738 376 H ALA 44 H ALA 44 2.814 -5.709 -5.925 377 HA ALA 44 HA ALA 44 1.793 -8.102 -5.003 378 HB1 ALA 44 3HB ALA 44 1.243 -8.619 -7.233 379 HB2 ALA 44 1HB ALA 44 1.217 -6.858 -7.139 380 HB3 ALA 44 2HB ALA 44 2.595 -7.682 -7.868 381 H LYS 45 H LYS 45 4.998 -7.376 -6.105 382 HA LYS 45 HA LYS 45 5.916 -9.904 -6.832 383 HB2 LYS 45 1HB LYS 45 8.147 -9.064 -6.394 384 HB3 LYS 45 2HB LYS 45 7.184 -7.804 -7.154 385 HG2 LYS 45 1HG LYS 45 6.989 -6.592 -5.158 386 HG3 LYS 45 2HG LYS 45 7.517 -7.962 -4.178 387 HD2 LYS 45 1HD LYS 45 9.439 -6.707 -4.214 388 HD3 LYS 45 2HD LYS 45 9.703 -7.737 -5.623 389 HE2 LYS 45 1HE LYS 45 9.457 -6.024 -7.086 390 HE3 LYS 45 2HE LYS 45 8.245 -5.212 -6.097 391 HZ1 LYS 45 3HZ LYS 45 11.004 -4.681 -6.282 392 HZ2 LYS 45 1HZ LYS 45 10.639 -5.123 -4.691 393 HZ3 LYS 45 2HZ LYS 45 9.821 -3.835 -5.419 394 H GLU 46 H GLU 46 5.119 -8.630 -3.729 395 HA GLU 46 HA GLU 46 6.432 -10.889 -2.387 396 HB2 GLU 46 1HB GLU 46 5.471 -8.207 -1.452 397 HB3 GLU 46 2HB GLU 46 5.659 -9.521 -0.299 398 HG2 GLU 46 1HG GLU 46 7.934 -8.970 -2.109 399 HG3 GLU 46 2HG GLU 46 7.600 -7.795 -0.838 400 H GLY 47 H GLY 47 3.848 -10.871 -3.970 401 HA2 GLY 47 1HA GLY 47 1.739 -11.771 -3.820 402 HA3 GLY 47 2HA GLY 47 2.436 -12.778 -2.559 403 H VAL 48 H VAL 48 1.733 -9.292 -2.716 404 HA VAL 48 HA VAL 48 0.740 -9.264 -0.039 405 HB VAL 48 HB VAL 48 0.636 -7.171 -2.213 406 HG11 VAL 48 1HG1 VAL 48 -1.038 -6.352 -0.924 407 HG12 VAL 48 2HG1 VAL 48 -0.511 -7.231 0.513 408 HG13 VAL 48 3HG1 VAL 48 0.318 -5.750 0.030 409 HG21 VAL 48 3HG2 VAL 48 2.697 -8.065 -0.457 410 HG22 VAL 48 1HG2 VAL 48 2.750 -6.777 -1.661 411 HG23 VAL 48 2HG2 VAL 48 2.243 -6.421 -0.009 412 H VAL 49 H VAL 49 -1.341 -9.114 0.709 413 HA VAL 49 HA VAL 49 -3.376 -10.370 -0.777 414 HB VAL 49 HB VAL 49 -4.896 -9.624 1.062 415 HG11 VAL 49 1HG1 VAL 49 -3.514 -10.806 2.895 416 HG12 VAL 49 2HG1 VAL 49 -3.931 -11.706 1.434 417 HG13 VAL 49 3HG1 VAL 49 -2.312 -11.031 1.625 418 HG21 VAL 49 3HG2 VAL 49 -4.328 -8.084 2.601 419 HG22 VAL 49 1HG2 VAL 49 -2.657 -8.640 2.688 420 HG23 VAL 49 2HG2 VAL 49 -3.161 -7.562 1.386 421 H GLU 50 H GLU 50 -5.644 -9.273 -0.894 422 HA GLU 50 HA GLU 50 -5.699 -7.470 -2.943 423 HB2 GLU 50 1HB GLU 50 -8.019 -6.825 -1.989 424 HB3 GLU 50 2HB GLU 50 -7.740 -8.488 -2.486 425 HG2 GLU 50 1HG GLU 50 -7.108 -7.934 0.319 426 HG3 GLU 50 2HG GLU 50 -8.806 -7.733 -0.111 427 HA PRO 51 HA PRO 51 -4.690 -3.466 -1.460 428 HB2 PRO 51 1HB PRO 51 -6.425 -1.894 -2.835 429 HB3 PRO 51 2HB PRO 51 -5.047 -2.697 -3.596 430 HG2 PRO 51 1HG PRO 51 -7.927 -3.514 -3.551 431 HG3 PRO 51 2HG PRO 51 -6.778 -3.538 -4.901 432 HD2 PRO 51 1HD PRO 51 -7.414 -5.759 -3.490 433 HD3 PRO 51 2HD PRO 51 -5.809 -5.511 -4.206 434 H GLU 52 H GLU 52 -7.968 -4.589 -1.140 435 HA GLU 52 HA GLU 52 -9.184 -2.519 0.225 436 HB2 GLU 52 1HB GLU 52 -10.077 -4.863 -0.517 437 HB3 GLU 52 2HB GLU 52 -9.613 -5.351 1.107 438 HG2 GLU 52 1HG GLU 52 -11.121 -3.813 2.097 439 HG3 GLU 52 2HG GLU 52 -11.427 -3.021 0.552 440 H VAL 53 H VAL 53 -6.819 -4.828 1.358 441 HA VAL 53 HA VAL 53 -7.114 -4.009 4.128 442 HB VAL 53 HB VAL 53 -5.038 -5.836 2.912 443 HG11 VAL 53 1HG1 VAL 53 -5.565 -6.511 5.577 444 HG12 VAL 53 2HG1 VAL 53 -4.105 -5.761 4.928 445 HG13 VAL 53 3HG1 VAL 53 -5.415 -4.755 5.550 446 HG21 VAL 53 3HG2 VAL 53 -7.624 -6.571 4.280 447 HG22 VAL 53 1HG2 VAL 53 -7.347 -6.633 2.540 448 HG23 VAL 53 2HG2 VAL 53 -6.427 -7.684 3.616 449 H VAL 54 H VAL 54 -4.566 -3.900 1.641 450 HA VAL 54 HA VAL 54 -2.628 -2.524 3.050 451 HB VAL 54 HB VAL 54 -3.244 -2.129 0.119 452 HG11 VAL 54 1HG1 VAL 54 -0.755 -1.794 0.010 453 HG12 VAL 54 2HG1 VAL 54 -1.648 -0.524 0.848 454 HG13 VAL 54 3HG1 VAL 54 -0.757 -1.735 1.772 455 HG21 VAL 54 3HG2 VAL 54 -2.397 -4.479 1.558 456 HG22 VAL 54 1HG2 VAL 54 -2.802 -4.292 -0.148 457 HG23 VAL 54 2HG2 VAL 54 -1.161 -3.968 0.409 458 H ARG 55 H ARG 55 -5.588 -1.345 1.651 459 HA ARG 55 HA ARG 55 -4.964 1.405 1.583 460 HB2 ARG 55 1HB ARG 55 -6.867 0.627 0.363 461 HB3 ARG 55 2HB ARG 55 -7.589 -0.062 1.810 462 HG2 ARG 55 1HG ARG 55 -8.222 2.011 2.637 463 HG3 ARG 55 2HG ARG 55 -7.067 2.876 1.621 464 HD2 ARG 55 1HD ARG 55 -9.173 3.281 0.655 465 HD3 ARG 55 2HD ARG 55 -8.423 2.051 -0.360 466 HE ARG 55 HE ARG 55 -10.123 0.641 0.198 467 HH11 ARG 55 1HH1 ARG 55 -9.925 3.146 2.607 468 HH12 ARG 55 2HH1 ARG 55 -11.342 2.622 3.456 469 HH21 ARG 55 1HH2 ARG 55 -11.989 -0.060 1.308 470 HH22 ARG 55 2HH2 ARG 55 -12.514 0.798 2.717 471 H GLN 56 H GLN 56 -6.367 -0.657 4.088 472 HA GLN 56 HA GLN 56 -6.655 1.562 5.923 473 HB2 GLN 56 1HB GLN 56 -7.888 -0.906 5.661 474 HB3 GLN 56 2HB GLN 56 -6.880 -1.099 7.089 475 HG2 GLN 56 1HG GLN 56 -8.452 1.385 6.960 476 HG3 GLN 56 2HG GLN 56 -9.377 -0.108 7.128 477 HE21 GLN 56 2HE2 GLN 56 -6.523 1.505 8.480 478 HE22 GLN 56 1HE2 GLN 56 -6.810 1.022 10.113 479 H ILE 57 H ILE 57 -4.647 -1.351 5.652 480 HA ILE 57 HA ILE 57 -3.186 -1.074 8.003 481 HB ILE 57 HB ILE 57 -2.229 -2.179 5.360 482 HG12 ILE 57 1HG1 ILE 57 -4.277 -3.260 6.235 483 HG13 ILE 57 2HG1 ILE 57 -2.895 -4.349 6.242 484 HG21 ILE 57 1HG2 ILE 57 -0.727 -3.535 6.929 485 HG22 ILE 57 2HG2 ILE 57 -0.298 -1.851 6.634 486 HG23 ILE 57 3HG2 ILE 57 -1.102 -2.305 8.136 487 HD11 ILE 57 3HD1 ILE 57 -4.605 -3.747 8.361 488 HD12 ILE 57 1HD1 ILE 57 -3.119 -4.694 8.413 489 HD13 ILE 57 2HD1 ILE 57 -3.074 -2.962 8.745 490 H ALA 58 H ALA 58 -2.660 0.366 4.820 491 HA ALA 58 HA ALA 58 -0.145 1.508 5.321 492 HB1 ALA 58 3HB ALA 58 -0.746 1.466 3.082 493 HB2 ALA 58 1HB ALA 58 -2.350 2.128 3.395 494 HB3 ALA 58 2HB ALA 58 -0.931 3.169 3.500 495 H ILE 59 H ILE 59 -3.256 2.333 6.482 496 HA ILE 59 HA ILE 59 -2.630 5.100 7.038 497 HB ILE 59 HB ILE 59 -4.961 3.427 7.983 498 HG12 ILE 59 1HG1 ILE 59 -4.953 5.497 5.790 499 HG13 ILE 59 2HG1 ILE 59 -4.680 3.788 5.471 500 HG21 ILE 59 1HG2 ILE 59 -5.635 6.144 7.895 501 HG22 ILE 59 2HG2 ILE 59 -5.426 5.134 9.324 502 HG23 ILE 59 3HG2 ILE 59 -4.065 6.059 8.692 503 HD11 ILE 59 3HD1 ILE 59 -7.153 5.225 6.059 504 HD12 ILE 59 1HD1 ILE 59 -6.890 3.717 5.183 505 HD13 ILE 59 2HD1 ILE 59 -6.961 3.712 6.945 506 H THR 60 H THR 60 -3.017 2.103 8.896 507 HA THR 60 HA THR 60 -2.224 3.418 11.357 508 HB THR 60 HB THR 60 -2.687 1.378 12.473 509 HG1 THR 60 HG1 THR 60 -1.700 -0.156 11.223 510 HG21 THR 60 3HG2 THR 60 -4.945 0.812 11.718 511 HG22 THR 60 1HG2 THR 60 -4.640 1.621 10.181 512 HG23 THR 60 2HG2 THR 60 -4.683 2.555 11.677 513 H ARG 61 H ARG 61 -0.594 2.275 8.740 514 HA ARG 61 HA ARG 61 1.746 1.501 10.356 515 HB2 ARG 61 1HB ARG 61 0.997 0.669 7.548 516 HB3 ARG 61 2HB ARG 61 2.531 0.290 8.319 517 HG2 ARG 61 1HG ARG 61 -0.187 -0.601 9.262 518 HG3 ARG 61 2HG ARG 61 1.003 -1.596 8.419 519 HD2 ARG 61 1HD ARG 61 2.525 -0.736 10.438 520 HD3 ARG 61 2HD ARG 61 0.949 -0.653 11.226 521 HE ARG 61 HE ARG 61 0.945 -3.120 10.137 522 HH11 ARG 61 1HH1 ARG 61 3.222 -1.420 12.148 523 HH12 ARG 61 2HH1 ARG 61 3.812 -2.855 12.917 524 HH21 ARG 61 1HH2 ARG 61 1.715 -5.018 11.143 525 HH22 ARG 61 2HH2 ARG 61 2.956 -4.901 12.345 526 H LEU 62 H LEU 62 0.802 3.057 7.295 527 HA LEU 62 HA LEU 62 3.330 4.531 7.289 528 HB2 LEU 62 1HB LEU 62 1.478 3.581 5.268 529 HB3 LEU 62 2HB LEU 62 1.891 5.279 5.041 530 HG LEU 62 HG LEU 62 3.894 3.030 5.239 531 HD11 LEU 62 1HD1 LEU 62 3.932 2.854 2.979 532 HD12 LEU 62 2HD1 LEU 62 3.446 4.530 2.725 533 HD13 LEU 62 3HD1 LEU 62 2.242 3.321 3.172 534 HD21 LEU 62 3HD2 LEU 62 5.547 4.601 4.750 535 HD22 LEU 62 1HD2 LEU 62 4.530 5.416 5.938 536 HD23 LEU 62 2HD2 LEU 62 4.376 5.812 4.226 537 H LYS 63 H LYS 63 0.711 4.985 8.911 538 HA LYS 63 HA LYS 63 -0.525 6.742 9.674 539 HB2 LYS 63 1HB LYS 63 1.993 8.193 8.844 540 HB3 LYS 63 2HB LYS 63 0.716 8.911 9.818 541 HG2 LYS 63 1HG LYS 63 1.161 6.769 11.311 542 HG3 LYS 63 2HG LYS 63 2.747 6.878 10.544 543 HD2 LYS 63 1HD LYS 63 3.324 8.625 11.806 544 HD3 LYS 63 2HD LYS 63 1.815 9.468 11.443 545 HE2 LYS 63 1HE LYS 63 0.757 7.834 13.133 546 HE3 LYS 63 2HE LYS 63 2.414 7.534 13.655 547 HZ1 LYS 63 3HZ LYS 63 0.866 9.475 14.637 548 HZ2 LYS 63 1HZ LYS 63 1.680 10.325 13.422 549 HZ3 LYS 63 2HZ LYS 63 2.556 9.532 14.633 550 H TRP 64 H TRP 64 -0.851 6.007 6.863 551 HA TRP 64 HA TRP 64 -1.111 8.321 5.256 552 HB2 TRP 64 1HB TRP 64 -1.008 5.939 4.431 553 HB3 TRP 64 2HB TRP 64 -2.674 5.750 4.972 554 HD1 TRP 64 HD1 TRP 64 -0.971 8.547 2.871 555 HE1 TRP 64 HE1 TRP 64 -2.387 8.908 0.753 556 HE3 TRP 64 HE3 TRP 64 -4.535 4.969 3.660 557 HZ2 TRP 64 HZ2 TRP 64 -4.709 7.820 -0.428 558 HZ3 TRP 64 HZ3 TRP 64 -6.320 4.694 1.989 559 HH2 TRP 64 HH2 TRP 64 -6.403 6.091 -0.011 560 H VAL 65 H VAL 65 -3.074 9.335 4.523 561 HA VAL 65 HA VAL 65 -5.458 8.986 6.149 562 HB VAL 65 HB VAL 65 -4.015 11.638 6.029 563 HG11 VAL 65 1HG1 VAL 65 -6.236 12.258 6.000 564 HG12 VAL 65 2HG1 VAL 65 -6.753 10.847 6.926 565 HG13 VAL 65 3HG1 VAL 65 -5.917 12.174 7.732 566 HG21 VAL 65 3HG2 VAL 65 -4.479 9.679 8.270 567 HG22 VAL 65 1HG2 VAL 65 -2.938 10.260 7.636 568 HG23 VAL 65 2HG2 VAL 65 -3.992 11.354 8.533 569 H GLU 66 H GLU 66 -7.065 8.886 4.737 570 HA GLU 66 HA GLU 66 -6.960 9.529 2.057 571 HB2 GLU 66 1HB GLU 66 -9.515 9.634 2.235 572 HB3 GLU 66 2HB GLU 66 -8.728 8.139 2.723 573 HG2 GLU 66 1HG GLU 66 -9.057 10.034 4.911 574 HG3 GLU 66 2HG GLU 66 -10.580 9.531 4.180 575 HA PRO 67 HA PRO 67 -7.350 13.880 1.656 576 HB2 PRO 67 1HB PRO 67 -8.891 14.090 -0.570 577 HB3 PRO 67 2HB PRO 67 -7.202 13.572 -0.617 578 HG2 PRO 67 1HG PRO 67 -9.695 11.916 -0.686 579 HG3 PRO 67 2HG PRO 67 -8.214 11.751 -1.649 580 HD2 PRO 67 1HD PRO 67 -8.732 10.196 0.507 581 HD3 PRO 67 2HD PRO 67 -7.085 10.670 0.045 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.646 0.999 16.220 2 HA2 GLY 1 1HA GLY 1 3.009 -0.300 18.798 3 HA3 GLY 1 2HA GLY 1 2.327 -0.844 17.272 4 HA PRO 2 HA PRO 2 6.174 -3.304 18.261 5 HB2 PRO 2 1HB PRO 2 4.991 -5.740 18.054 6 HB3 PRO 2 2HB PRO 2 5.036 -4.818 19.562 7 HG2 PRO 2 1HG PRO 2 2.823 -5.071 17.563 8 HG3 PRO 2 2HG PRO 2 2.741 -5.110 19.334 9 HD2 PRO 2 1HD PRO 2 2.112 -2.904 17.894 10 HD3 PRO 2 2HD PRO 2 2.833 -2.814 19.514 11 H LEU 3 H LEU 3 7.241 -4.888 16.854 12 HA LEU 3 HA LEU 3 6.789 -4.265 14.081 13 HB2 LEU 3 1HB LEU 3 9.049 -4.418 14.948 14 HB3 LEU 3 2HB LEU 3 8.777 -6.094 15.419 15 HG LEU 3 HG LEU 3 8.299 -6.323 12.803 16 HD11 LEU 3 1HD1 LEU 3 9.976 -4.957 11.584 17 HD12 LEU 3 2HD1 LEU 3 10.202 -4.000 13.049 18 HD13 LEU 3 3HD1 LEU 3 8.635 -4.017 12.239 19 HD21 LEU 3 3HD2 LEU 3 10.899 -6.382 14.300 20 HD22 LEU 3 1HD2 LEU 3 10.795 -6.848 12.602 21 HD23 LEU 3 2HD2 LEU 3 9.868 -7.730 13.816 22 H GLY 4 H GLY 4 4.790 -5.198 13.582 23 HA2 GLY 4 1HA GLY 4 4.050 -7.092 12.234 24 HA3 GLY 4 2HA GLY 4 4.869 -8.143 13.381 25 H SER 5 H SER 5 2.142 -8.350 12.554 26 HA SER 5 HA SER 5 0.856 -8.025 15.174 27 HB2 SER 5 1HB SER 5 -1.198 -7.246 14.179 28 HB3 SER 5 2HB SER 5 0.109 -6.211 13.603 29 HG SER 5 HG SER 5 -1.377 -6.953 11.951 30 H VAL 6 H VAL 6 -1.187 -9.360 15.312 31 HA VAL 6 HA VAL 6 -0.568 -12.045 14.497 32 HB VAL 6 HB VAL 6 -2.513 -12.716 15.766 33 HG11 VAL 6 1HG1 VAL 6 -1.227 -10.501 17.335 34 HG12 VAL 6 2HG1 VAL 6 -1.808 -12.063 17.913 35 HG13 VAL 6 3HG1 VAL 6 -0.362 -11.976 16.906 36 HG21 VAL 6 3HG2 VAL 6 -3.365 -10.010 15.214 37 HG22 VAL 6 1HG2 VAL 6 -4.311 -11.405 15.735 38 HG23 VAL 6 2HG2 VAL 6 -3.504 -10.391 16.931 39 H ALA 7 H ALA 7 -2.600 -13.398 13.760 40 HA ALA 7 HA ALA 7 -3.984 -13.959 12.041 41 HB1 ALA 7 3HB ALA 7 -4.914 -11.300 11.346 42 HB2 ALA 7 1HB ALA 7 -5.811 -12.687 11.965 43 HB3 ALA 7 2HB ALA 7 -4.981 -11.602 13.082 44 H LYS 8 H LYS 8 -4.623 -13.110 9.662 45 HA LYS 8 HA LYS 8 -3.855 -12.916 7.528 46 HB2 LYS 8 1HB LYS 8 -1.949 -10.869 8.664 47 HB3 LYS 8 2HB LYS 8 -2.554 -10.964 7.016 48 HG2 LYS 8 1HG LYS 8 -4.308 -10.464 9.408 49 HG3 LYS 8 2HG LYS 8 -3.593 -9.184 8.425 50 HD2 LYS 8 1HD LYS 8 -4.764 -9.985 6.464 51 HD3 LYS 8 2HD LYS 8 -5.404 -11.356 7.373 52 HE2 LYS 8 1HE LYS 8 -6.828 -10.005 8.637 53 HE3 LYS 8 2HE LYS 8 -5.928 -8.539 8.252 54 HZ1 LYS 8 3HZ LYS 8 -8.041 -9.838 6.781 55 HZ2 LYS 8 1HZ LYS 8 -6.727 -9.371 5.823 56 HZ3 LYS 8 2HZ LYS 8 -7.541 -8.222 6.759 57 H LYS 9 H LYS 9 -1.527 -12.580 6.289 58 HA LYS 9 HA LYS 9 0.408 -14.396 7.543 59 HB2 LYS 9 1HB LYS 9 -1.313 -15.111 5.420 60 HB3 LYS 9 2HB LYS 9 0.285 -14.904 4.717 61 HG2 LYS 9 1HG LYS 9 1.024 -16.374 6.762 62 HG3 LYS 9 2HG LYS 9 -0.666 -16.881 6.724 63 HD2 LYS 9 1HD LYS 9 -0.455 -17.898 4.675 64 HD3 LYS 9 2HD LYS 9 0.880 -16.855 4.176 65 HE2 LYS 9 1HE LYS 9 2.432 -18.050 5.491 66 HE3 LYS 9 2HE LYS 9 1.156 -18.881 6.381 67 HZ1 LYS 9 3HZ LYS 9 2.047 -19.338 3.601 68 HZ2 LYS 9 1HZ LYS 9 0.537 -19.875 4.142 69 HZ3 LYS 9 2HZ LYS 9 1.951 -20.449 4.873 70 H ILE 10 H ILE 10 0.278 -11.475 6.996 71 HA ILE 10 HA ILE 10 2.825 -11.288 5.548 72 HB ILE 10 HB ILE 10 0.489 -9.415 5.147 73 HG12 ILE 10 1HG1 ILE 10 1.831 -11.371 3.269 74 HG13 ILE 10 2HG1 ILE 10 0.211 -11.521 3.942 75 HG21 ILE 10 1HG2 ILE 10 3.262 -9.355 3.961 76 HG22 ILE 10 2HG2 ILE 10 1.932 -8.281 3.526 77 HG23 ILE 10 3HG2 ILE 10 2.615 -8.226 5.152 78 HD11 ILE 10 3HD1 ILE 10 0.137 -10.765 1.644 79 HD12 ILE 10 1HD1 ILE 10 -0.473 -9.517 2.730 80 HD13 ILE 10 2HD1 ILE 10 1.149 -9.379 2.050 81 H THR 11 H THR 11 4.135 -10.797 7.213 82 HA THR 11 HA THR 11 3.324 -9.026 9.332 83 HB THR 11 HB THR 11 6.128 -10.007 8.813 84 HG1 THR 11 HG1 THR 11 4.592 -11.767 8.871 85 HG21 THR 11 3HG2 THR 11 6.608 -9.374 10.944 86 HG22 THR 11 1HG2 THR 11 4.979 -9.714 11.528 87 HG23 THR 11 2HG2 THR 11 5.303 -8.227 10.637 88 H TRP 12 H TRP 12 3.048 -6.953 8.694 89 HA TRP 12 HA TRP 12 4.736 -5.655 6.797 90 HB2 TRP 12 1HB TRP 12 2.699 -4.550 8.739 91 HB3 TRP 12 2HB TRP 12 3.506 -3.596 7.499 92 HD1 TRP 12 HD1 TRP 12 0.715 -6.113 7.988 93 HE1 TRP 12 HE1 TRP 12 -0.586 -6.368 5.782 94 HE3 TRP 12 HE3 TRP 12 3.830 -3.487 4.898 95 HZ2 TRP 12 HZ2 TRP 12 -0.328 -5.564 3.089 96 HZ3 TRP 12 HZ3 TRP 12 3.231 -3.278 2.521 97 HH2 TRP 12 HH2 TRP 12 1.196 -4.297 1.637 98 H ARG 13 H ARG 13 6.835 -5.437 7.332 99 HA ARG 13 HA ARG 13 7.570 -4.584 10.022 100 HB2 ARG 13 1HB ARG 13 9.112 -5.620 7.659 101 HB3 ARG 13 2HB ARG 13 9.936 -4.841 9.003 102 HG2 ARG 13 1HG ARG 13 9.229 -6.509 10.525 103 HG3 ARG 13 2HG ARG 13 8.088 -7.183 9.359 104 HD2 ARG 13 1HD ARG 13 9.660 -8.481 8.464 105 HD3 ARG 13 2HD ARG 13 10.762 -7.118 8.278 106 HE ARG 13 HE ARG 13 11.824 -7.746 10.215 107 HH11 ARG 13 1HH1 ARG 13 8.820 -9.479 9.917 108 HH12 ARG 13 2HH1 ARG 13 9.159 -10.556 11.231 109 HH21 ARG 13 1HH2 ARG 13 12.283 -9.156 11.948 110 HH22 ARG 13 2HH2 ARG 13 11.129 -10.371 12.387 111 H LYS 14 H LYS 14 9.291 -2.885 10.211 112 HA LYS 14 HA LYS 14 8.384 -0.442 9.224 113 HB2 LYS 14 1HB LYS 14 9.809 -0.753 11.247 114 HB3 LYS 14 2HB LYS 14 11.179 -1.071 10.191 115 HG2 LYS 14 1HG LYS 14 11.352 1.115 9.524 116 HG3 LYS 14 2HG LYS 14 9.652 1.463 9.850 117 HD2 LYS 14 1HD LYS 14 10.195 2.271 11.847 118 HD3 LYS 14 2HD LYS 14 10.890 0.713 12.297 119 HE2 LYS 14 1HE LYS 14 12.897 1.621 10.811 120 HE3 LYS 14 2HE LYS 14 12.212 3.173 11.289 121 HZ1 LYS 14 3HZ LYS 14 12.370 1.495 13.542 122 HZ2 LYS 14 1HZ LYS 14 13.158 2.966 13.263 123 HZ3 LYS 14 2HZ LYS 14 13.878 1.515 12.776 124 H GLN 15 H GLN 15 10.783 -2.668 7.964 125 HA GLN 15 HA GLN 15 11.728 -0.839 5.951 126 HB2 GLN 15 1HB GLN 15 12.156 -3.812 5.904 127 HB3 GLN 15 2HB GLN 15 13.203 -2.541 5.286 128 HG2 GLN 15 1HG GLN 15 13.061 -1.964 7.965 129 HG3 GLN 15 2HG GLN 15 13.059 -3.726 7.938 130 HE21 GLN 15 2HE2 GLN 15 15.122 -2.090 8.975 131 HE22 GLN 15 1HE2 GLN 15 16.543 -2.375 8.036 132 H ASP 16 H ASP 16 9.603 -3.668 6.052 133 HA ASP 16 HA ASP 16 9.121 -4.025 3.359 134 HB2 ASP 16 1HB ASP 16 7.337 -4.393 5.760 135 HB3 ASP 16 2HB ASP 16 6.806 -4.812 4.134 136 H LEU 17 H LEU 17 7.646 -1.706 5.577 137 HA LEU 17 HA LEU 17 5.707 -0.717 3.774 138 HB2 LEU 17 1HB LEU 17 6.812 0.054 6.384 139 HB3 LEU 17 2HB LEU 17 6.186 1.391 5.421 140 HG LEU 17 HG LEU 17 4.500 0.586 6.965 141 HD11 LEU 17 1HD1 LEU 17 3.970 1.328 4.566 142 HD12 LEU 17 2HD1 LEU 17 2.715 0.485 5.473 143 HD13 LEU 17 3HD1 LEU 17 3.655 -0.380 4.256 144 HD21 LEU 17 3HD2 LEU 17 3.546 -1.748 6.444 145 HD22 LEU 17 1HD2 LEU 17 5.018 -1.637 7.409 146 HD23 LEU 17 2HD2 LEU 17 5.114 -2.060 5.699 147 H ASP 18 H ASP 18 9.078 0.015 4.299 148 HA ASP 18 HA ASP 18 9.317 2.499 3.111 149 HB2 ASP 18 1HB ASP 18 11.075 0.664 4.106 150 HB3 ASP 18 2HB ASP 18 11.444 0.594 2.385 151 H ARG 19 H ARG 19 9.221 -0.688 1.573 152 HA ARG 19 HA ARG 19 9.660 0.270 -1.065 153 HB2 ARG 19 1HB ARG 19 9.975 -2.109 -0.210 154 HB3 ARG 19 2HB ARG 19 8.229 -2.280 -0.332 155 HG2 ARG 19 1HG ARG 19 8.267 -2.443 -2.573 156 HG3 ARG 19 2HG ARG 19 9.564 -1.258 -2.743 157 HD2 ARG 19 1HD ARG 19 10.280 -3.488 -3.455 158 HD3 ARG 19 2HD ARG 19 11.200 -2.922 -2.061 159 HE ARG 19 HE ARG 19 9.048 -4.421 -1.113 160 HH11 ARG 19 1HH1 ARG 19 11.954 -4.881 -2.974 161 HH12 ARG 19 2HH1 ARG 19 12.168 -6.527 -2.477 162 HH21 ARG 19 1HH2 ARG 19 9.317 -6.587 -0.453 163 HH22 ARG 19 2HH2 ARG 19 10.666 -7.497 -1.044 164 H LEU 20 H LEU 20 6.725 -0.691 0.698 165 HA LEU 20 HA LEU 20 4.882 -0.266 -1.346 166 HB2 LEU 20 1HB LEU 20 4.373 -1.394 0.774 167 HB3 LEU 20 2HB LEU 20 4.499 0.149 1.616 168 HG LEU 20 HG LEU 20 2.557 0.964 0.299 169 HD11 LEU 20 1HD1 LEU 20 3.086 -1.143 -1.357 170 HD12 LEU 20 2HD1 LEU 20 1.594 -0.205 -1.343 171 HD13 LEU 20 3HD1 LEU 20 1.688 -1.722 -0.448 172 HD21 LEU 20 3HD2 LEU 20 2.128 0.189 2.504 173 HD22 LEU 20 1HD2 LEU 20 2.227 -1.498 2.001 174 HD23 LEU 20 2HD2 LEU 20 0.877 -0.496 1.468 175 H LYS 21 H LYS 21 5.766 1.966 1.292 176 HA LYS 21 HA LYS 21 4.275 4.153 0.515 177 HB2 LYS 21 1HB LYS 21 5.610 3.930 2.626 178 HB3 LYS 21 2HB LYS 21 7.057 4.280 1.689 179 HG2 LYS 21 1HG LYS 21 5.971 6.450 1.026 180 HG3 LYS 21 2HG LYS 21 4.724 6.098 2.225 181 HD2 LYS 21 1HD LYS 21 6.721 5.788 3.848 182 HD3 LYS 21 2HD LYS 21 7.632 6.690 2.635 183 HE2 LYS 21 1HE LYS 21 5.036 7.855 3.379 184 HE3 LYS 21 2HE LYS 21 6.238 7.821 4.668 185 HZ1 LYS 21 3HZ LYS 21 6.339 9.870 3.373 186 HZ2 LYS 21 1HZ LYS 21 6.659 8.984 1.967 187 HZ3 LYS 21 2HZ LYS 21 7.776 8.989 3.237 188 H ARG 22 H ARG 22 7.254 2.934 -0.828 189 HA ARG 22 HA ARG 22 8.140 5.174 -2.228 190 HB2 ARG 22 1HB ARG 22 8.963 2.570 -1.988 191 HB3 ARG 22 2HB ARG 22 8.439 2.630 -3.665 192 HG2 ARG 22 1HG ARG 22 9.889 4.832 -3.679 193 HG3 ARG 22 2HG ARG 22 10.688 4.029 -2.326 194 HD2 ARG 22 1HD ARG 22 10.515 2.005 -4.135 195 HD3 ARG 22 2HD ARG 22 10.729 3.399 -5.191 196 HE ARG 22 HE ARG 22 12.692 2.221 -3.481 197 HH11 ARG 22 1HH1 ARG 22 11.656 5.203 -4.949 198 HH12 ARG 22 2HH1 ARG 22 13.236 5.917 -4.920 199 HH21 ARG 22 1HH2 ARG 22 14.775 3.148 -3.438 200 HH22 ARG 22 2HH2 ARG 22 15.008 4.747 -4.062 201 H VAL 23 H VAL 23 5.727 2.745 -3.092 202 HA VAL 23 HA VAL 23 5.271 3.919 -5.696 203 HB VAL 23 HB VAL 23 3.700 1.766 -4.272 204 HG11 VAL 23 1HG1 VAL 23 2.841 1.221 -6.487 205 HG12 VAL 23 2HG1 VAL 23 2.446 2.884 -6.053 206 HG13 VAL 23 3HG1 VAL 23 3.760 2.555 -7.183 207 HG21 VAL 23 3HG2 VAL 23 6.114 1.237 -4.674 208 HG22 VAL 23 1HG2 VAL 23 4.980 0.162 -5.493 209 HG23 VAL 23 2HG2 VAL 23 5.807 1.429 -6.401 210 H ILE 24 H ILE 24 3.697 3.842 -2.547 211 HA ILE 24 HA ILE 24 1.233 4.935 -3.185 212 HB ILE 24 HB ILE 24 2.869 5.435 -0.696 213 HG12 ILE 24 1HG1 ILE 24 0.701 3.393 -1.235 214 HG13 ILE 24 2HG1 ILE 24 2.426 3.043 -1.205 215 HG21 ILE 24 1HG2 ILE 24 0.293 6.429 -1.548 216 HG22 ILE 24 2HG2 ILE 24 0.166 5.497 -0.057 217 HG23 ILE 24 3HG2 ILE 24 1.264 6.874 -0.146 218 HD11 ILE 24 3HD1 ILE 24 2.480 2.954 1.020 219 HD12 ILE 24 1HD1 ILE 24 1.463 4.383 1.198 220 HD13 ILE 24 2HD1 ILE 24 0.725 2.808 0.908 221 H ALA 25 H ALA 25 4.354 6.468 -2.949 222 HA ALA 25 HA ALA 25 3.282 9.150 -2.972 223 HB1 ALA 25 3HB ALA 25 5.937 7.917 -2.729 224 HB2 ALA 25 1HB ALA 25 5.906 9.467 -3.569 225 HB3 ALA 25 2HB ALA 25 5.265 9.339 -1.931 226 H LEU 26 H LEU 26 4.315 6.790 -5.285 227 HA LEU 26 HA LEU 26 4.801 8.578 -7.448 228 HB2 LEU 26 1HB LEU 26 5.346 5.985 -7.029 229 HB3 LEU 26 2HB LEU 26 3.898 5.822 -8.019 230 HG LEU 26 HG LEU 26 6.244 7.476 -8.906 231 HD11 LEU 26 1HD1 LEU 26 7.221 5.636 -9.973 232 HD12 LEU 26 2HD1 LEU 26 5.812 4.614 -9.696 233 HD13 LEU 26 3HD1 LEU 26 6.853 5.062 -8.346 234 HD21 LEU 26 3HD2 LEU 26 5.265 6.804 -11.147 235 HD22 LEU 26 1HD2 LEU 26 4.314 7.930 -10.178 236 HD23 LEU 26 2HD2 LEU 26 3.861 6.227 -10.248 237 H LYS 27 H LYS 27 2.092 6.350 -6.790 238 HA LYS 27 HA LYS 27 0.454 7.658 -8.782 239 HB2 LYS 27 1HB LYS 27 0.405 5.156 -7.306 240 HB3 LYS 27 2HB LYS 27 -1.175 5.930 -7.326 241 HG2 LYS 27 1HG LYS 27 -1.490 5.043 -9.329 242 HG3 LYS 27 2HG LYS 27 -0.248 6.136 -9.942 243 HD2 LYS 27 1HD LYS 27 1.361 4.258 -9.006 244 HD3 LYS 27 2HD LYS 27 -0.070 3.249 -9.236 245 HE2 LYS 27 1HE LYS 27 0.088 3.325 -11.478 246 HE3 LYS 27 2HE LYS 27 0.554 5.025 -11.487 247 HZ1 LYS 27 3HZ LYS 27 2.700 3.720 -10.403 248 HZ2 LYS 27 1HZ LYS 27 2.583 4.317 -11.982 249 HZ3 LYS 27 2HZ LYS 27 2.198 2.702 -11.657 250 H LYS 28 H LYS 28 0.400 7.232 -5.256 251 HA LYS 28 HA LYS 28 -0.761 8.301 -3.609 252 HB2 LYS 28 1HB LYS 28 0.228 10.386 -5.458 253 HB3 LYS 28 2HB LYS 28 -1.020 10.900 -4.330 254 HG2 LYS 28 1HG LYS 28 0.618 9.584 -2.650 255 HG3 LYS 28 2HG LYS 28 1.785 10.155 -3.844 256 HD2 LYS 28 1HD LYS 28 -0.248 12.069 -2.807 257 HD3 LYS 28 2HD LYS 28 1.110 11.635 -1.766 258 HE2 LYS 28 1HE LYS 28 2.442 13.014 -2.885 259 HE3 LYS 28 2HE LYS 28 2.087 12.173 -4.394 260 HZ1 LYS 28 3HZ LYS 28 1.475 14.724 -3.944 261 HZ2 LYS 28 1HZ LYS 28 0.030 13.992 -3.453 262 HZ3 LYS 28 2HZ LYS 28 0.618 13.736 -5.018 263 HA PRO 29 HA PRO 29 -4.775 8.053 -5.928 264 HB2 PRO 29 1HB PRO 29 -5.885 6.213 -4.269 265 HB3 PRO 29 2HB PRO 29 -4.875 5.774 -5.651 266 HG2 PRO 29 1HG PRO 29 -4.144 5.964 -2.753 267 HG3 PRO 29 2HG PRO 29 -3.703 4.721 -3.940 268 HD2 PRO 29 1HD PRO 29 -2.013 6.710 -3.214 269 HD3 PRO 29 2HD PRO 29 -2.016 6.006 -4.844 270 H SER 30 H SER 30 -7.026 8.277 -4.947 271 HA SER 30 HA SER 30 -6.900 10.347 -2.898 272 HB2 SER 30 1HB SER 30 -8.949 9.503 -4.919 273 HB3 SER 30 2HB SER 30 -9.440 10.466 -3.527 274 HG SER 30 HG SER 30 -7.457 11.782 -4.297 275 H ALA 31 H ALA 31 -8.969 7.514 -3.555 276 HA ALA 31 HA ALA 31 -8.708 6.302 -1.076 277 HB1 ALA 31 3HB ALA 31 -11.258 7.119 -0.473 278 HB2 ALA 31 1HB ALA 31 -9.780 7.703 0.292 279 HB3 ALA 31 2HB ALA 31 -10.496 8.602 -1.047 280 H SER 32 H SER 32 -8.788 4.536 -2.506 281 HA SER 32 HA SER 32 -11.245 3.225 -2.707 282 HB2 SER 32 1HB SER 32 -12.108 4.395 -4.466 283 HB3 SER 32 2HB SER 32 -10.522 4.927 -5.027 284 HG SER 32 HG SER 32 -10.325 3.157 -6.207 285 H ASP 33 H ASP 33 -11.057 1.116 -3.565 286 HA ASP 33 HA ASP 33 -8.438 0.016 -3.376 287 HB2 ASP 33 1HB ASP 33 -9.515 -2.127 -3.846 288 HB3 ASP 33 2HB ASP 33 -10.445 -1.218 -2.657 289 H ALA 34 H ALA 34 -10.615 0.750 -6.045 290 HA ALA 34 HA ALA 34 -9.240 -0.554 -8.102 291 HB1 ALA 34 3HB ALA 34 -10.340 1.171 -9.585 292 HB2 ALA 34 1HB ALA 34 -11.421 0.234 -8.553 293 HB3 ALA 34 2HB ALA 34 -10.995 1.889 -8.112 294 H ASP 35 H ASP 35 -8.501 2.341 -6.369 295 HA ASP 35 HA ASP 35 -6.572 3.234 -8.362 296 HB2 ASP 35 1HB ASP 35 -7.193 4.425 -5.652 297 HB3 ASP 35 2HB ASP 35 -6.271 5.182 -6.949 298 H TRP 36 H TRP 36 -6.604 2.163 -4.974 299 HA TRP 36 HA TRP 36 -3.808 2.228 -4.614 300 HB2 TRP 36 1HB TRP 36 -6.114 1.011 -3.174 301 HB3 TRP 36 2HB TRP 36 -4.507 0.394 -2.802 302 HD1 TRP 36 HD1 TRP 36 -6.546 3.660 -2.653 303 HE1 TRP 36 HE1 TRP 36 -5.476 5.199 -0.889 304 HE3 TRP 36 HE3 TRP 36 -2.404 0.873 -1.550 305 HZ2 TRP 36 HZ2 TRP 36 -3.180 5.228 0.752 306 HZ3 TRP 36 HZ3 TRP 36 -0.820 1.728 0.127 307 HH2 TRP 36 HH2 TRP 36 -1.202 3.861 1.254 308 H THR 37 H THR 37 -5.919 -0.061 -6.122 309 HA THR 37 HA THR 37 -4.456 -2.413 -5.940 310 HB THR 37 HB THR 37 -6.751 -2.143 -6.962 311 HG1 THR 37 HG1 THR 37 -6.424 -4.050 -7.851 312 HG21 THR 37 3HG2 THR 37 -5.361 -1.662 -9.568 313 HG22 THR 37 1HG2 THR 37 -5.814 -0.296 -8.550 314 HG23 THR 37 2HG2 THR 37 -7.052 -1.406 -9.138 315 H GLU 38 H GLU 38 -3.980 0.382 -8.004 316 HA GLU 38 HA GLU 38 -2.047 -0.860 -9.707 317 HB2 GLU 38 1HB GLU 38 -2.821 2.013 -9.220 318 HB3 GLU 38 2HB GLU 38 -1.541 1.559 -10.335 319 HG2 GLU 38 1HG GLU 38 -4.207 0.280 -10.634 320 HG3 GLU 38 2HG GLU 38 -4.000 1.950 -11.159 321 H VAL 39 H VAL 39 -1.963 0.669 -6.614 322 HA VAL 39 HA VAL 39 0.850 1.267 -6.649 323 HB VAL 39 HB VAL 39 -1.081 1.141 -4.327 324 HG11 VAL 39 1HG1 VAL 39 0.665 1.405 -2.983 325 HG12 VAL 39 2HG1 VAL 39 1.755 1.314 -4.368 326 HG13 VAL 39 3HG1 VAL 39 1.113 2.874 -3.849 327 HG21 VAL 39 3HG2 VAL 39 -0.067 3.739 -5.212 328 HG22 VAL 39 1HG2 VAL 39 -1.086 2.922 -6.397 329 HG23 VAL 39 2HG2 VAL 39 -1.704 3.247 -4.779 330 H LEU 40 H LEU 40 -1.204 -1.306 -5.377 331 HA LEU 40 HA LEU 40 0.938 -2.661 -4.042 332 HB2 LEU 40 1HB LEU 40 -0.657 -4.005 -3.209 333 HB3 LEU 40 2HB LEU 40 -1.739 -2.747 -3.805 334 HG LEU 40 HG LEU 40 -1.722 -4.253 -5.978 335 HD11 LEU 40 1HD1 LEU 40 -0.132 -5.796 -4.354 336 HD12 LEU 40 2HD1 LEU 40 -0.997 -6.353 -5.786 337 HD13 LEU 40 3HD1 LEU 40 -1.719 -6.550 -4.189 338 HD21 LEU 40 3HD2 LEU 40 -3.507 -5.651 -4.366 339 HD22 LEU 40 1HD2 LEU 40 -3.844 -4.205 -5.318 340 HD23 LEU 40 2HD2 LEU 40 -3.381 -4.056 -3.623 341 H ARG 41 H ARG 41 -0.200 -2.518 -7.260 342 HA ARG 41 HA ARG 41 0.306 -5.009 -8.304 343 HB2 ARG 41 1HB ARG 41 -0.217 -2.496 -9.338 344 HB3 ARG 41 2HB ARG 41 1.364 -2.884 -10.002 345 HG2 ARG 41 1HG ARG 41 0.425 -5.034 -10.824 346 HG3 ARG 41 2HG ARG 41 -1.164 -4.491 -10.280 347 HD2 ARG 41 1HD ARG 41 -0.752 -2.424 -11.726 348 HD3 ARG 41 2HD ARG 41 0.571 -3.341 -12.444 349 HE ARG 41 HE ARG 41 -2.230 -3.702 -12.912 350 HH11 ARG 41 1HH1 ARG 41 0.864 -5.295 -12.868 351 HH12 ARG 41 2HH1 ARG 41 0.393 -6.527 -13.993 352 HH21 ARG 41 1HH2 ARG 41 -2.864 -5.317 -14.392 353 HH22 ARG 41 2HH2 ARG 41 -1.728 -6.537 -14.859 354 H LEU 42 H LEU 42 2.665 -2.337 -8.114 355 HA LEU 42 HA LEU 42 4.881 -3.794 -8.985 356 HB2 LEU 42 1HB LEU 42 4.392 -1.240 -7.652 357 HB3 LEU 42 2HB LEU 42 5.948 -1.961 -7.247 358 HG LEU 42 HG LEU 42 6.366 -2.124 -9.744 359 HD11 LEU 42 1HD1 LEU 42 3.992 -1.834 -10.395 360 HD12 LEU 42 2HD1 LEU 42 5.086 -0.712 -11.203 361 HD13 LEU 42 3HD1 LEU 42 4.088 -0.156 -9.860 362 HD21 LEU 42 3HD2 LEU 42 6.018 0.696 -8.761 363 HD22 LEU 42 1HD2 LEU 42 7.252 0.054 -9.846 364 HD23 LEU 42 2HD2 LEU 42 7.270 -0.378 -8.135 365 H LEU 43 H LEU 43 3.242 -3.803 -5.958 366 HA LEU 43 HA LEU 43 5.469 -5.034 -4.545 367 HB2 LEU 43 1HB LEU 43 3.279 -3.480 -3.783 368 HB3 LEU 43 2HB LEU 43 2.949 -5.086 -3.136 369 HG LEU 43 HG LEU 43 5.334 -3.338 -2.551 370 HD11 LEU 43 1HD1 LEU 43 4.220 -2.679 -0.751 371 HD12 LEU 43 2HD1 LEU 43 3.875 -4.346 -0.293 372 HD13 LEU 43 3HD1 LEU 43 2.793 -3.493 -1.392 373 HD21 LEU 43 3HD2 LEU 43 4.863 -6.239 -2.136 374 HD22 LEU 43 1HD2 LEU 43 5.648 -5.335 -0.840 375 HD23 LEU 43 2HD2 LEU 43 6.365 -5.367 -2.451 376 H ALA 44 H ALA 44 2.880 -5.996 -6.479 377 HA ALA 44 HA ALA 44 1.937 -8.331 -5.359 378 HB1 ALA 44 3HB ALA 44 2.548 -8.200 -8.287 379 HB2 ALA 44 1HB ALA 44 1.162 -8.918 -7.465 380 HB3 ALA 44 2HB ALA 44 1.310 -7.164 -7.577 381 H LYS 45 H LYS 45 5.068 -7.668 -6.674 382 HA LYS 45 HA LYS 45 5.953 -10.226 -7.329 383 HB2 LYS 45 1HB LYS 45 7.582 -7.999 -6.090 384 HB3 LYS 45 2HB LYS 45 8.213 -9.364 -7.003 385 HG2 LYS 45 1HG LYS 45 6.266 -8.051 -8.600 386 HG3 LYS 45 2HG LYS 45 7.374 -6.837 -7.956 387 HD2 LYS 45 1HD LYS 45 8.453 -7.484 -9.893 388 HD3 LYS 45 2HD LYS 45 9.216 -8.527 -8.691 389 HE2 LYS 45 1HE LYS 45 6.872 -9.824 -9.644 390 HE3 LYS 45 2HE LYS 45 7.795 -9.265 -11.037 391 HZ1 LYS 45 3HZ LYS 45 8.544 -11.434 -10.474 392 HZ2 LYS 45 1HZ LYS 45 8.751 -11.022 -8.847 393 HZ3 LYS 45 2HZ LYS 45 9.766 -10.355 -10.023 394 H GLU 46 H GLU 46 5.298 -8.821 -4.254 395 HA GLU 46 HA GLU 46 6.685 -11.017 -2.881 396 HB2 GLU 46 1HB GLU 46 5.720 -8.320 -1.957 397 HB3 GLU 46 2HB GLU 46 6.130 -9.590 -0.813 398 HG2 GLU 46 1HG GLU 46 8.022 -8.563 -2.911 399 HG3 GLU 46 2HG GLU 46 7.944 -7.935 -1.266 400 H GLY 47 H GLY 47 4.017 -11.052 -4.318 401 HA2 GLY 47 1HA GLY 47 1.919 -11.937 -4.011 402 HA3 GLY 47 2HA GLY 47 2.676 -12.876 -2.732 403 H VAL 48 H VAL 48 1.972 -9.400 -3.054 404 HA VAL 48 HA VAL 48 1.128 -9.206 -0.335 405 HB VAL 48 HB VAL 48 0.858 -7.247 -2.617 406 HG11 VAL 48 1HG1 VAL 48 0.228 -6.991 0.309 407 HG12 VAL 48 2HG1 VAL 48 0.581 -5.590 -0.704 408 HG13 VAL 48 3HG1 VAL 48 -0.802 -6.622 -1.073 409 HG21 VAL 48 3HG2 VAL 48 2.853 -7.498 -0.372 410 HG22 VAL 48 1HG2 VAL 48 3.159 -7.669 -2.100 411 HG23 VAL 48 2HG2 VAL 48 2.725 -6.095 -1.433 412 H VAL 49 H VAL 49 -0.914 -8.971 0.514 413 HA VAL 49 HA VAL 49 -3.025 -10.331 -0.771 414 HB VAL 49 HB VAL 49 -4.430 -9.573 1.102 415 HG11 VAL 49 1HG1 VAL 49 -2.452 -10.280 2.882 416 HG12 VAL 49 2HG1 VAL 49 -3.484 -11.394 1.983 417 HG13 VAL 49 3HG1 VAL 49 -1.890 -10.969 1.359 418 HG21 VAL 49 3HG2 VAL 49 -2.056 -7.825 1.685 419 HG22 VAL 49 1HG2 VAL 49 -3.745 -7.356 1.489 420 HG23 VAL 49 2HG2 VAL 49 -3.238 -8.250 2.922 421 H GLU 50 H GLU 50 -5.295 -9.252 -0.843 422 HA GLU 50 HA GLU 50 -5.435 -7.536 -2.978 423 HB2 GLU 50 1HB GLU 50 -7.750 -6.926 -2.014 424 HB3 GLU 50 2HB GLU 50 -7.434 -8.604 -2.430 425 HG2 GLU 50 1HG GLU 50 -7.191 -9.229 -0.179 426 HG3 GLU 50 2HG GLU 50 -7.061 -7.553 0.355 427 HA PRO 51 HA PRO 51 -4.492 -3.464 -1.650 428 HB2 PRO 51 1HB PRO 51 -6.285 -1.981 -3.050 429 HB3 PRO 51 2HB PRO 51 -4.899 -2.777 -3.805 430 HG2 PRO 51 1HG PRO 51 -7.758 -3.659 -3.685 431 HG3 PRO 51 2HG PRO 51 -6.629 -3.704 -5.052 432 HD2 PRO 51 1HD PRO 51 -7.191 -5.889 -3.556 433 HD3 PRO 51 2HD PRO 51 -5.604 -5.628 -4.305 434 H GLU 52 H GLU 52 -7.831 -4.516 -1.378 435 HA GLU 52 HA GLU 52 -8.968 -2.430 0.025 436 HB2 GLU 52 1HB GLU 52 -9.457 -5.334 -0.184 437 HB3 GLU 52 2HB GLU 52 -10.128 -4.559 1.244 438 HG2 GLU 52 1HG GLU 52 -10.996 -2.822 -0.543 439 HG3 GLU 52 2HG GLU 52 -10.832 -4.211 -1.615 440 H VAL 53 H VAL 53 -6.800 -4.942 1.168 441 HA VAL 53 HA VAL 53 -7.067 -4.110 3.937 442 HB VAL 53 HB VAL 53 -5.190 -6.133 2.706 443 HG11 VAL 53 1HG1 VAL 53 -4.207 -5.561 4.731 444 HG12 VAL 53 2HG1 VAL 53 -5.761 -5.313 5.529 445 HG13 VAL 53 3HG1 VAL 53 -5.210 -6.947 5.158 446 HG21 VAL 53 3HG2 VAL 53 -6.784 -7.770 3.776 447 HG22 VAL 53 1HG2 VAL 53 -7.896 -6.418 3.991 448 HG23 VAL 53 2HG2 VAL 53 -7.407 -6.908 2.370 449 H VAL 54 H VAL 54 -4.661 -3.971 1.347 450 HA VAL 54 HA VAL 54 -2.479 -2.982 2.703 451 HB VAL 54 HB VAL 54 -3.406 -2.167 -0.054 452 HG11 VAL 54 1HG1 VAL 54 -0.753 -1.887 1.339 453 HG12 VAL 54 2HG1 VAL 54 -0.944 -1.768 -0.412 454 HG13 VAL 54 3HG1 VAL 54 -1.756 -0.613 0.646 455 HG21 VAL 54 3HG2 VAL 54 -2.707 -4.145 -0.819 456 HG22 VAL 54 1HG2 VAL 54 -1.219 -4.067 0.124 457 HG23 VAL 54 2HG2 VAL 54 -2.698 -4.679 0.862 458 H ARG 55 H ARG 55 -5.425 -1.336 1.804 459 HA ARG 55 HA ARG 55 -4.481 1.314 2.223 460 HB2 ARG 55 1HB ARG 55 -6.436 0.999 0.876 461 HB3 ARG 55 2HB ARG 55 -7.256 0.129 2.166 462 HG2 ARG 55 1HG ARG 55 -7.653 2.066 3.390 463 HG3 ARG 55 2HG ARG 55 -6.408 2.976 2.531 464 HD2 ARG 55 1HD ARG 55 -8.185 3.826 1.428 465 HD3 ARG 55 2HD ARG 55 -8.023 2.351 0.476 466 HE ARG 55 HE ARG 55 -9.674 1.642 2.521 467 HH11 ARG 55 1HH1 ARG 55 -9.704 4.162 0.118 468 HH12 ARG 55 2HH1 ARG 55 -11.432 4.251 0.046 469 HH21 ARG 55 1HH2 ARG 55 -11.951 1.750 2.433 470 HH22 ARG 55 2HH2 ARG 55 -12.710 2.880 1.363 471 H GLN 56 H GLN 56 -6.742 -0.638 4.182 472 HA GLN 56 HA GLN 56 -6.832 0.991 6.405 473 HB2 GLN 56 1HB GLN 56 -8.310 -0.929 6.103 474 HB3 GLN 56 2HB GLN 56 -6.954 -2.028 6.314 475 HG2 GLN 56 1HG GLN 56 -8.294 -1.904 8.328 476 HG3 GLN 56 2HG GLN 56 -6.677 -1.262 8.609 477 HE21 GLN 56 2HE2 GLN 56 -6.448 0.785 9.294 478 HE22 GLN 56 1HE2 GLN 56 -7.754 1.885 9.554 479 H ILE 57 H ILE 57 -4.425 -1.419 5.528 480 HA ILE 57 HA ILE 57 -3.029 -1.328 8.016 481 HB ILE 57 HB ILE 57 -2.097 -2.280 5.306 482 HG12 ILE 57 1HG1 ILE 57 -4.046 -3.500 6.239 483 HG13 ILE 57 2HG1 ILE 57 -2.607 -4.509 6.126 484 HG21 ILE 57 1HG2 ILE 57 -0.166 -1.803 6.605 485 HG22 ILE 57 2HG2 ILE 57 -0.871 -2.545 8.041 486 HG23 ILE 57 3HG2 ILE 57 -0.407 -3.548 6.666 487 HD11 ILE 57 3HD1 ILE 57 -2.650 -4.929 8.298 488 HD12 ILE 57 1HD1 ILE 57 -2.766 -3.215 8.694 489 HD13 ILE 57 2HD1 ILE 57 -4.226 -4.141 8.345 490 H ALA 58 H ALA 58 -2.507 0.160 4.836 491 HA ALA 58 HA ALA 58 -0.098 1.465 5.443 492 HB1 ALA 58 3HB ALA 58 -2.197 1.775 3.366 493 HB2 ALA 58 1HB ALA 58 -1.039 3.088 3.578 494 HB3 ALA 58 2HB ALA 58 -0.469 1.462 3.195 495 H ILE 59 H ILE 59 -3.309 2.102 6.437 496 HA ILE 59 HA ILE 59 -2.898 4.912 6.970 497 HB ILE 59 HB ILE 59 -5.145 3.071 7.802 498 HG12 ILE 59 1HG1 ILE 59 -5.469 5.246 5.795 499 HG13 ILE 59 2HG1 ILE 59 -4.612 3.796 5.287 500 HG21 ILE 59 1HG2 ILE 59 -4.594 5.943 8.311 501 HG22 ILE 59 2HG2 ILE 59 -6.257 5.469 7.964 502 HG23 ILE 59 3HG2 ILE 59 -5.400 4.746 9.325 503 HD11 ILE 59 3HD1 ILE 59 -6.949 2.972 6.644 504 HD12 ILE 59 1HD1 ILE 59 -7.404 4.232 5.498 505 HD13 ILE 59 2HD1 ILE 59 -6.547 2.796 4.937 506 H THR 60 H THR 60 -3.171 1.932 8.878 507 HA THR 60 HA THR 60 -2.554 3.347 11.334 508 HB THR 60 HB THR 60 -4.176 1.553 11.475 509 HG1 THR 60 HG1 THR 60 -3.197 1.508 13.377 510 HG21 THR 60 3HG2 THR 60 -2.087 0.060 10.012 511 HG22 THR 60 1HG2 THR 60 -3.843 -0.074 9.930 512 HG23 THR 60 2HG2 THR 60 -2.960 -0.839 11.252 513 H ARG 61 H ARG 61 -0.760 2.245 8.812 514 HA ARG 61 HA ARG 61 1.550 1.628 10.535 515 HB2 ARG 61 1HB ARG 61 0.984 0.720 7.708 516 HB3 ARG 61 2HB ARG 61 2.482 0.414 8.575 517 HG2 ARG 61 1HG ARG 61 -0.233 -0.539 9.461 518 HG3 ARG 61 2HG ARG 61 0.938 -1.510 8.566 519 HD2 ARG 61 1HD ARG 61 2.546 -0.840 10.511 520 HD3 ARG 61 2HD ARG 61 1.046 -0.518 11.381 521 HE ARG 61 HE ARG 61 2.129 -3.087 10.682 522 HH11 ARG 61 1HH1 ARG 61 -0.766 -1.317 11.461 523 HH12 ARG 61 2HH1 ARG 61 -1.626 -2.714 12.017 524 HH21 ARG 61 1HH2 ARG 61 1.007 -4.933 11.411 525 HH22 ARG 61 2HH2 ARG 61 -0.617 -4.770 11.990 526 H LEU 62 H LEU 62 0.655 3.073 7.406 527 HA LEU 62 HA LEU 62 3.110 4.658 7.441 528 HB2 LEU 62 1HB LEU 62 1.371 3.594 5.409 529 HB3 LEU 62 2HB LEU 62 1.583 5.330 5.191 530 HG LEU 62 HG LEU 62 3.812 3.300 5.343 531 HD11 LEU 62 1HD1 LEU 62 2.124 3.597 3.266 532 HD12 LEU 62 2HD1 LEU 62 3.824 3.162 3.096 533 HD13 LEU 62 3HD1 LEU 62 3.317 4.838 2.881 534 HD21 LEU 62 3HD2 LEU 62 4.398 5.905 4.203 535 HD22 LEU 62 1HD2 LEU 62 5.262 4.989 5.437 536 HD23 LEU 62 2HD2 LEU 62 3.895 6.006 5.892 537 H LYS 63 H LYS 63 0.342 4.989 8.940 538 HA LYS 63 HA LYS 63 -0.977 6.702 9.665 539 HB2 LYS 63 1HB LYS 63 1.627 8.130 9.135 540 HB3 LYS 63 2HB LYS 63 0.252 8.912 9.904 541 HG2 LYS 63 1HG LYS 63 0.614 6.544 11.321 542 HG3 LYS 63 2HG LYS 63 2.242 7.164 11.033 543 HD2 LYS 63 1HD LYS 63 0.119 9.036 11.977 544 HD3 LYS 63 2HD LYS 63 0.863 7.930 13.133 545 HE2 LYS 63 1HE LYS 63 2.705 9.175 13.238 546 HE3 LYS 63 2HE LYS 63 2.863 9.190 11.482 547 HZ1 LYS 63 3HZ LYS 63 2.349 11.331 11.581 548 HZ2 LYS 63 1HZ LYS 63 1.941 11.242 13.221 549 HZ3 LYS 63 2HZ LYS 63 0.781 10.893 12.042 550 H TRP 64 H TRP 64 -1.070 6.071 6.813 551 HA TRP 64 HA TRP 64 -1.192 8.391 5.231 552 HB2 TRP 64 1HB TRP 64 -1.148 6.042 4.368 553 HB3 TRP 64 2HB TRP 64 -2.825 5.870 4.880 554 HD1 TRP 64 HD1 TRP 64 -0.796 8.248 2.566 555 HE1 TRP 64 HE1 TRP 64 -2.270 8.811 0.532 556 HE3 TRP 64 HE3 TRP 64 -5.024 5.704 3.901 557 HZ2 TRP 64 HZ2 TRP 64 -4.880 8.250 -0.384 558 HZ3 TRP 64 HZ3 TRP 64 -6.966 5.769 2.391 559 HH2 TRP 64 HH2 TRP 64 -6.894 7.016 0.294 560 H VAL 65 H VAL 65 -3.011 9.571 4.468 561 HA VAL 65 HA VAL 65 -5.526 9.299 5.901 562 HB VAL 65 HB VAL 65 -5.535 11.762 6.452 563 HG11 VAL 65 1HG1 VAL 65 -5.101 9.855 8.068 564 HG12 VAL 65 2HG1 VAL 65 -3.389 10.264 7.933 565 HG13 VAL 65 3HG1 VAL 65 -4.532 11.449 8.563 566 HG21 VAL 65 3HG2 VAL 65 -3.819 13.076 5.927 567 HG22 VAL 65 1HG2 VAL 65 -2.676 11.986 6.712 568 HG23 VAL 65 2HG2 VAL 65 -3.130 11.724 5.028 569 H GLU 66 H GLU 66 -7.028 9.364 4.377 570 HA GLU 66 HA GLU 66 -6.693 10.118 1.746 571 HB2 GLU 66 1HB GLU 66 -9.242 10.384 1.754 572 HB3 GLU 66 2HB GLU 66 -8.588 8.820 2.221 573 HG2 GLU 66 1HG GLU 66 -9.235 9.036 4.390 574 HG3 GLU 66 2HG GLU 66 -9.110 10.794 4.370 575 HA PRO 67 HA PRO 67 -6.778 14.499 1.531 576 HB2 PRO 67 1HB PRO 67 -8.135 14.908 -0.784 577 HB3 PRO 67 2HB PRO 67 -6.483 14.282 -0.737 578 HG2 PRO 67 1HG PRO 67 -9.063 12.798 -1.063 579 HG3 PRO 67 2HG PRO 67 -7.529 12.578 -1.925 580 HD2 PRO 67 1HD PRO 67 -8.300 10.968 0.111 581 HD3 PRO 67 2HD PRO 67 -6.596 11.352 -0.211 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -14.195 -7.701 13.852 2 HA2 GLY 1 1HA GLY 1 -12.967 -6.971 16.097 3 HA3 GLY 1 2HA GLY 1 -14.246 -5.768 16.031 4 HA PRO 2 HA PRO 2 -17.087 -8.508 17.926 5 HB2 PRO 2 1HB PRO 2 -19.388 -8.072 16.553 6 HB3 PRO 2 2HB PRO 2 -18.700 -6.891 17.674 7 HG2 PRO 2 1HG PRO 2 -18.524 -6.994 14.688 8 HG3 PRO 2 2HG PRO 2 -18.815 -5.599 15.744 9 HD2 PRO 2 1HD PRO 2 -16.390 -6.129 14.662 10 HD3 PRO 2 2HD PRO 2 -16.579 -5.360 16.251 11 H LEU 3 H LEU 3 -16.793 -8.742 14.438 12 HA LEU 3 HA LEU 3 -18.206 -11.196 14.158 13 HB2 LEU 3 1HB LEU 3 -17.003 -9.308 12.460 14 HB3 LEU 3 2HB LEU 3 -16.199 -10.842 12.134 15 HG LEU 3 HG LEU 3 -18.024 -10.528 10.589 16 HD11 LEU 3 1HD1 LEU 3 -17.517 -12.791 11.798 17 HD12 LEU 3 2HD1 LEU 3 -18.919 -12.634 10.741 18 HD13 LEU 3 3HD1 LEU 3 -19.120 -12.543 12.490 19 HD21 LEU 3 3HD2 LEU 3 -20.364 -10.752 11.989 20 HD22 LEU 3 1HD2 LEU 3 -19.718 -9.258 11.310 21 HD23 LEU 3 2HD2 LEU 3 -19.421 -9.659 13.003 22 H GLY 4 H GLY 4 -14.710 -10.474 13.981 23 HA2 GLY 4 1HA GLY 4 -13.654 -12.272 15.665 24 HA3 GLY 4 2HA GLY 4 -14.087 -13.292 14.301 25 H SER 5 H SER 5 -12.115 -13.834 13.531 26 HA SER 5 HA SER 5 -10.491 -11.641 12.450 27 HB2 SER 5 1HB SER 5 -9.054 -12.076 14.169 28 HB3 SER 5 2HB SER 5 -9.661 -13.714 14.403 29 HG SER 5 HG SER 5 -7.925 -12.830 12.338 30 H VAL 6 H VAL 6 -10.113 -11.912 10.358 31 HA VAL 6 HA VAL 6 -10.790 -14.403 9.066 32 HB VAL 6 HB VAL 6 -10.329 -13.236 6.971 33 HG11 VAL 6 1HG1 VAL 6 -12.315 -12.590 8.836 34 HG12 VAL 6 2HG1 VAL 6 -11.791 -11.055 8.141 35 HG13 VAL 6 3HG1 VAL 6 -12.364 -12.350 7.089 36 HG21 VAL 6 3HG2 VAL 6 -8.678 -11.725 7.029 37 HG22 VAL 6 1HG2 VAL 6 -9.914 -10.600 7.590 38 HG23 VAL 6 2HG2 VAL 6 -8.884 -11.432 8.756 39 H ALA 7 H ALA 7 -9.210 -14.996 7.151 40 HA ALA 7 HA ALA 7 -6.817 -15.949 8.388 41 HB1 ALA 7 3HB ALA 7 -7.960 -17.323 6.765 42 HB2 ALA 7 1HB ALA 7 -7.747 -16.089 5.523 43 HB3 ALA 7 2HB ALA 7 -6.344 -16.938 6.174 44 H LYS 8 H LYS 8 -5.194 -14.588 8.796 45 HA LYS 8 HA LYS 8 -4.314 -12.799 6.627 46 HB2 LYS 8 1HB LYS 8 -4.817 -12.243 9.491 47 HB3 LYS 8 2HB LYS 8 -3.358 -11.533 8.813 48 HG2 LYS 8 1HG LYS 8 -4.514 -9.957 7.764 49 HG3 LYS 8 2HG LYS 8 -5.623 -11.139 7.066 50 HD2 LYS 8 1HD LYS 8 -6.917 -9.658 8.414 51 HD3 LYS 8 2HD LYS 8 -6.808 -11.194 9.277 52 HE2 LYS 8 1HE LYS 8 -5.135 -10.325 10.747 53 HE3 LYS 8 2HE LYS 8 -4.985 -8.850 9.792 54 HZ1 LYS 8 3HZ LYS 8 -7.645 -9.023 10.482 55 HZ2 LYS 8 1HZ LYS 8 -6.494 -7.966 11.130 56 HZ3 LYS 8 2HZ LYS 8 -6.803 -9.446 11.887 57 H LYS 9 H LYS 9 -2.479 -13.577 5.830 58 HA LYS 9 HA LYS 9 -0.452 -14.579 7.720 59 HB2 LYS 9 1HB LYS 9 -1.097 -15.597 4.948 60 HB3 LYS 9 2HB LYS 9 0.318 -16.084 5.872 61 HG2 LYS 9 1HG LYS 9 -2.212 -16.385 7.310 62 HG3 LYS 9 2HG LYS 9 -2.070 -17.383 5.860 63 HD2 LYS 9 1HD LYS 9 -1.065 -18.799 7.322 64 HD3 LYS 9 2HD LYS 9 0.348 -17.823 6.914 65 HE2 LYS 9 1HE LYS 9 0.378 -17.910 9.246 66 HE3 LYS 9 2HE LYS 9 -0.350 -16.343 8.890 67 HZ1 LYS 9 3HZ LYS 9 -1.580 -17.468 10.614 68 HZ2 LYS 9 1HZ LYS 9 -1.809 -18.824 9.627 69 HZ3 LYS 9 2HZ LYS 9 -2.539 -17.352 9.225 70 H ILE 10 H ILE 10 -0.538 -11.917 7.078 71 HA ILE 10 HA ILE 10 1.755 -11.626 5.247 72 HB ILE 10 HB ILE 10 -0.446 -9.618 5.739 73 HG12 ILE 10 1HG1 ILE 10 -1.165 -11.493 4.328 74 HG13 ILE 10 2HG1 ILE 10 -1.033 -10.012 3.386 75 HG21 ILE 10 1HG2 ILE 10 1.076 -8.909 3.498 76 HG22 ILE 10 2HG2 ILE 10 1.008 -8.087 5.056 77 HG23 ILE 10 3HG2 ILE 10 2.236 -9.319 4.762 78 HD11 ILE 10 3HD1 ILE 10 1.459 -11.201 3.156 79 HD12 ILE 10 1HD1 ILE 10 0.314 -12.537 3.052 80 HD13 ILE 10 2HD1 ILE 10 0.179 -11.171 1.943 81 H THR 11 H THR 11 3.546 -11.055 6.266 82 HA THR 11 HA THR 11 3.353 -9.720 8.869 83 HB THR 11 HB THR 11 5.763 -11.015 7.576 84 HG1 THR 11 HG1 THR 11 3.917 -11.959 9.532 85 HG21 THR 11 3HG2 THR 11 5.321 -9.533 10.101 86 HG22 THR 11 1HG2 THR 11 6.775 -9.683 9.116 87 HG23 THR 11 2HG2 THR 11 6.306 -10.992 10.202 88 H TRP 12 H TRP 12 3.055 -7.581 8.340 89 HA TRP 12 HA TRP 12 4.550 -6.233 6.333 90 HB2 TRP 12 1HB TRP 12 2.805 -5.296 8.602 91 HB3 TRP 12 2HB TRP 12 3.662 -4.158 7.566 92 HD1 TRP 12 HD1 TRP 12 0.461 -5.945 7.809 93 HE1 TRP 12 HE1 TRP 12 -0.839 -5.801 5.592 94 HE3 TRP 12 HE3 TRP 12 4.210 -4.243 4.779 95 HZ2 TRP 12 HZ2 TRP 12 -0.341 -5.065 2.913 96 HZ3 TRP 12 HZ3 TRP 12 3.716 -3.844 2.402 97 HH2 TRP 12 HH2 TRP 12 1.487 -4.248 1.489 98 H ARG 13 H ARG 13 6.673 -5.932 6.460 99 HA ARG 13 HA ARG 13 7.952 -5.604 9.059 100 HB2 ARG 13 1HB ARG 13 9.098 -5.932 6.281 101 HB3 ARG 13 2HB ARG 13 10.068 -5.748 7.737 102 HG2 ARG 13 1HG ARG 13 8.175 -7.848 8.131 103 HG3 ARG 13 2HG ARG 13 9.044 -8.114 6.619 104 HD2 ARG 13 1HD ARG 13 10.245 -7.680 9.349 105 HD3 ARG 13 2HD ARG 13 10.229 -9.183 8.428 106 HE ARG 13 HE ARG 13 11.498 -7.421 6.791 107 HH11 ARG 13 1HH1 ARG 13 11.968 -8.463 10.079 108 HH12 ARG 13 2HH1 ARG 13 13.684 -8.228 10.046 109 HH21 ARG 13 1HH2 ARG 13 13.757 -7.106 6.736 110 HH22 ARG 13 2HH2 ARG 13 14.700 -7.455 8.144 111 H LYS 14 H LYS 14 9.352 -3.854 9.537 112 HA LYS 14 HA LYS 14 8.366 -1.324 8.931 113 HB2 LYS 14 1HB LYS 14 9.786 -1.893 10.898 114 HB3 LYS 14 2HB LYS 14 11.175 -1.994 9.825 115 HG2 LYS 14 1HG LYS 14 11.469 0.136 10.491 116 HG3 LYS 14 2HG LYS 14 10.315 0.462 9.194 117 HD2 LYS 14 1HD LYS 14 9.050 -0.208 11.741 118 HD3 LYS 14 2HD LYS 14 10.047 1.247 11.812 119 HE2 LYS 14 1HE LYS 14 8.836 2.028 9.741 120 HE3 LYS 14 2HE LYS 14 7.728 0.677 9.977 121 HZ1 LYS 14 3HZ LYS 14 8.187 2.411 12.273 122 HZ2 LYS 14 1HZ LYS 14 6.765 1.656 11.752 123 HZ3 LYS 14 2HZ LYS 14 7.297 3.072 10.996 124 H GLN 15 H GLN 15 11.084 -3.093 7.512 125 HA GLN 15 HA GLN 15 11.906 -0.978 5.798 126 HB2 GLN 15 1HB GLN 15 13.495 -2.682 6.360 127 HB3 GLN 15 2HB GLN 15 12.437 -3.949 5.752 128 HG2 GLN 15 1HG GLN 15 13.167 -3.708 3.665 129 HG3 GLN 15 2HG GLN 15 13.068 -1.949 3.740 130 HE21 GLN 15 2HE2 GLN 15 15.012 -1.655 2.682 131 HE22 GLN 15 1HE2 GLN 15 16.535 -1.999 3.421 132 H ASP 16 H ASP 16 9.626 -3.616 5.514 133 HA ASP 16 HA ASP 16 9.266 -3.530 2.716 134 HB2 ASP 16 1HB ASP 16 7.867 -4.722 5.024 135 HB3 ASP 16 2HB ASP 16 6.848 -4.391 3.627 136 H LEU 17 H LEU 17 7.678 -1.833 5.377 137 HA LEU 17 HA LEU 17 5.664 -0.590 3.846 138 HB2 LEU 17 1HB LEU 17 6.851 -0.227 6.527 139 HB3 LEU 17 2HB LEU 17 6.021 1.170 5.847 140 HG LEU 17 HG LEU 17 4.607 -0.211 7.346 141 HD11 LEU 17 1HD1 LEU 17 3.453 1.151 5.812 142 HD12 LEU 17 2HD1 LEU 17 2.706 -0.440 5.688 143 HD13 LEU 17 3HD1 LEU 17 3.846 0.096 4.455 144 HD21 LEU 17 3HD2 LEU 17 4.821 -2.277 5.158 145 HD22 LEU 17 1HD2 LEU 17 3.824 -2.376 6.609 146 HD23 LEU 17 2HD2 LEU 17 5.583 -2.396 6.745 147 H ASP 18 H ASP 18 9.027 0.106 4.292 148 HA ASP 18 HA ASP 18 9.114 2.820 3.664 149 HB2 ASP 18 1HB ASP 18 10.987 1.015 4.312 150 HB3 ASP 18 2HB ASP 18 11.264 1.081 2.574 151 H ARG 19 H ARG 19 9.408 0.021 1.479 152 HA ARG 19 HA ARG 19 9.567 1.533 -0.893 153 HB2 ARG 19 1HB ARG 19 9.895 -1.091 -0.287 154 HB3 ARG 19 2HB ARG 19 8.321 -1.139 -1.071 155 HG2 ARG 19 1HG ARG 19 9.176 -0.342 -3.096 156 HG3 ARG 19 2HG ARG 19 10.666 0.229 -2.341 157 HD2 ARG 19 1HD ARG 19 10.687 -2.445 -1.745 158 HD3 ARG 19 2HD ARG 19 9.961 -2.422 -3.351 159 HE ARG 19 HE ARG 19 12.123 -0.815 -3.619 160 HH11 ARG 19 1HH1 ARG 19 11.668 -4.050 -2.415 161 HH12 ARG 19 2HH1 ARG 19 13.246 -4.587 -2.886 162 HH21 ARG 19 1HH2 ARG 19 14.204 -1.511 -4.244 163 HH22 ARG 19 2HH2 ARG 19 14.688 -3.143 -3.926 164 H LEU 20 H LEU 20 6.835 0.065 0.809 165 HA LEU 20 HA LEU 20 4.831 0.473 -1.056 166 HB2 LEU 20 1HB LEU 20 4.584 -0.776 1.058 167 HB3 LEU 20 2HB LEU 20 4.600 0.751 1.938 168 HG LEU 20 HG LEU 20 2.524 1.374 0.625 169 HD11 LEU 20 1HD1 LEU 20 2.246 -1.567 0.134 170 HD12 LEU 20 2HD1 LEU 20 2.987 -0.508 -1.065 171 HD13 LEU 20 3HD1 LEU 20 1.323 -0.230 -0.553 172 HD21 LEU 20 3HD2 LEU 20 2.551 0.607 2.991 173 HD22 LEU 20 1HD2 LEU 20 2.282 -1.038 2.416 174 HD23 LEU 20 2HD2 LEU 20 1.065 0.205 2.128 175 H LYS 21 H LYS 21 6.449 2.765 0.995 176 HA LYS 21 HA LYS 21 4.514 4.858 0.674 177 HB2 LYS 21 1HB LYS 21 6.153 4.625 2.597 178 HB3 LYS 21 2HB LYS 21 7.404 5.168 1.487 179 HG2 LYS 21 1HG LYS 21 5.551 7.110 1.149 180 HG3 LYS 21 2HG LYS 21 5.289 6.684 2.841 181 HD2 LYS 21 1HD LYS 21 8.101 7.000 1.986 182 HD3 LYS 21 2HD LYS 21 7.126 8.471 2.032 183 HE2 LYS 21 1HE LYS 21 6.697 6.841 4.381 184 HE3 LYS 21 2HE LYS 21 8.403 7.232 4.174 185 HZ1 LYS 21 3HZ LYS 21 8.048 9.388 4.614 186 HZ2 LYS 21 1HZ LYS 21 6.632 8.840 5.360 187 HZ3 LYS 21 2HZ LYS 21 6.577 9.443 3.780 188 H ARG 22 H ARG 22 7.636 4.054 -0.793 189 HA ARG 22 HA ARG 22 7.986 6.319 -2.362 190 HB2 ARG 22 1HB ARG 22 9.105 3.674 -2.202 191 HB3 ARG 22 2HB ARG 22 8.888 4.124 -3.889 192 HG2 ARG 22 1HG ARG 22 11.014 4.885 -3.451 193 HG3 ARG 22 2HG ARG 22 10.044 6.335 -3.186 194 HD2 ARG 22 1HD ARG 22 10.820 6.477 -1.112 195 HD3 ARG 22 2HD ARG 22 10.140 4.891 -0.747 196 HE ARG 22 HE ARG 22 12.254 4.051 -0.792 197 HH11 ARG 22 1HH1 ARG 22 12.209 7.015 -2.617 198 HH12 ARG 22 2HH1 ARG 22 13.918 7.016 -2.906 199 HH21 ARG 22 1HH2 ARG 22 14.505 4.041 -1.165 200 HH22 ARG 22 2HH2 ARG 22 15.222 5.323 -2.080 201 H VAL 23 H VAL 23 5.784 3.674 -2.732 202 HA VAL 23 HA VAL 23 5.196 4.234 -5.506 203 HB VAL 23 HB VAL 23 3.631 2.485 -3.607 204 HG11 VAL 23 1HG1 VAL 23 2.371 2.952 -5.568 205 HG12 VAL 23 2HG1 VAL 23 3.771 2.683 -6.609 206 HG13 VAL 23 3HG1 VAL 23 3.032 1.328 -5.756 207 HG21 VAL 23 3HG2 VAL 23 6.012 1.821 -5.334 208 HG22 VAL 23 1HG2 VAL 23 5.887 1.690 -3.579 209 HG23 VAL 23 2HG2 VAL 23 4.947 0.613 -4.613 210 H ILE 24 H ILE 24 3.463 4.528 -2.409 211 HA ILE 24 HA ILE 24 1.116 5.666 -3.358 212 HB ILE 24 HB ILE 24 2.494 6.235 -0.731 213 HG12 ILE 24 1HG1 ILE 24 0.224 4.314 -1.184 214 HG13 ILE 24 2HG1 ILE 24 1.896 3.808 -1.403 215 HG21 ILE 24 1HG2 ILE 24 0.793 7.900 -1.238 216 HG22 ILE 24 2HG2 ILE 24 -0.380 6.624 -1.554 217 HG23 ILE 24 3HG2 ILE 24 0.261 6.847 0.074 218 HD11 ILE 24 3HD1 ILE 24 2.384 4.006 0.840 219 HD12 ILE 24 1HD1 ILE 24 1.054 5.125 1.138 220 HD13 ILE 24 2HD1 ILE 24 0.724 3.414 0.864 221 H ALA 25 H ALA 25 4.261 7.072 -2.945 222 HA ALA 25 HA ALA 25 3.383 9.803 -3.044 223 HB1 ALA 25 3HB ALA 25 5.544 8.920 -2.012 224 HB2 ALA 25 1HB ALA 25 6.164 8.857 -3.661 225 HB3 ALA 25 2HB ALA 25 5.649 10.396 -2.970 226 H LEU 26 H LEU 26 4.254 7.366 -5.364 227 HA LEU 26 HA LEU 26 4.493 9.277 -7.537 228 HB2 LEU 26 1HB LEU 26 5.607 6.830 -7.077 229 HB3 LEU 26 2HB LEU 26 4.311 6.427 -8.201 230 HG LEU 26 HG LEU 26 5.372 8.432 -9.571 231 HD11 LEU 26 1HD1 LEU 26 7.838 8.357 -9.367 232 HD12 LEU 26 2HD1 LEU 26 7.656 7.401 -7.896 233 HD13 LEU 26 3HD1 LEU 26 7.040 9.054 -7.956 234 HD21 LEU 26 3HD2 LEU 26 6.948 6.634 -10.574 235 HD22 LEU 26 1HD2 LEU 26 5.202 6.386 -10.641 236 HD23 LEU 26 2HD2 LEU 26 6.166 5.551 -9.421 237 H LYS 27 H LYS 27 2.426 6.467 -6.793 238 HA LYS 27 HA LYS 27 0.570 7.021 -8.875 239 HB2 LYS 27 1HB LYS 27 0.838 5.079 -6.688 240 HB3 LYS 27 2HB LYS 27 -0.827 5.480 -7.089 241 HG2 LYS 27 1HG LYS 27 -0.014 3.514 -8.306 242 HG3 LYS 27 2HG LYS 27 -0.470 4.832 -9.388 243 HD2 LYS 27 1HD LYS 27 1.654 5.156 -10.102 244 HD3 LYS 27 2HD LYS 27 2.354 4.776 -8.527 245 HE2 LYS 27 1HE LYS 27 1.270 2.375 -9.354 246 HE3 LYS 27 2HE LYS 27 1.917 3.068 -10.841 247 HZ1 LYS 27 3HZ LYS 27 3.808 2.130 -10.112 248 HZ2 LYS 27 1HZ LYS 27 3.311 2.086 -8.495 249 HZ3 LYS 27 2HZ LYS 27 3.928 3.517 -9.152 250 H LYS 28 H LYS 28 0.526 7.576 -5.369 251 HA LYS 28 HA LYS 28 -0.771 8.900 -4.047 252 HB2 LYS 28 1HB LYS 28 -0.467 10.442 -6.578 253 HB3 LYS 28 2HB LYS 28 -1.631 11.028 -5.397 254 HG2 LYS 28 1HG LYS 28 0.294 10.848 -3.708 255 HG3 LYS 28 2HG LYS 28 1.338 10.747 -5.129 256 HD2 LYS 28 1HD LYS 28 -0.684 12.933 -4.983 257 HD3 LYS 28 2HD LYS 28 0.783 13.065 -4.009 258 HE2 LYS 28 1HE LYS 28 1.307 12.239 -6.753 259 HE3 LYS 28 2HE LYS 28 0.510 13.808 -6.650 260 HZ1 LYS 28 3HZ LYS 28 2.528 13.720 -4.716 261 HZ2 LYS 28 1HZ LYS 28 2.435 14.707 -6.087 262 HZ3 LYS 28 2HZ LYS 28 3.199 13.200 -6.180 263 HA PRO 29 HA PRO 29 -4.662 7.041 -5.769 264 HB2 PRO 29 1HB PRO 29 -5.256 5.629 -3.527 265 HB3 PRO 29 2HB PRO 29 -4.205 5.006 -4.804 266 HG2 PRO 29 1HG PRO 29 -3.469 6.263 -2.189 267 HG3 PRO 29 2HG PRO 29 -2.772 4.838 -2.981 268 HD2 PRO 29 1HD PRO 29 -1.591 7.274 -3.064 269 HD3 PRO 29 2HD PRO 29 -1.466 6.106 -4.396 270 H SER 30 H SER 30 -6.878 7.128 -4.767 271 HA SER 30 HA SER 30 -7.103 9.400 -2.904 272 HB2 SER 30 1HB SER 30 -9.236 8.901 -4.939 273 HB3 SER 30 2HB SER 30 -8.740 10.415 -4.182 274 HG SER 30 HG SER 30 -8.084 10.291 -6.372 275 H ALA 31 H ALA 31 -7.049 6.720 -2.086 276 HA ALA 31 HA ALA 31 -8.150 5.292 -0.696 277 HB1 ALA 31 3HB ALA 31 -9.973 6.109 0.600 278 HB2 ALA 31 1HB ALA 31 -8.862 7.456 0.348 279 HB3 ALA 31 2HB ALA 31 -10.348 7.348 -0.598 280 H SER 32 H SER 32 -8.326 4.051 -2.765 281 HA SER 32 HA SER 32 -10.993 3.067 -3.059 282 HB2 SER 32 1HB SER 32 -9.777 4.725 -5.261 283 HB3 SER 32 2HB SER 32 -10.975 3.478 -5.606 284 HG SER 32 HG SER 32 -12.493 4.656 -4.690 285 H ASP 33 H ASP 33 -10.929 0.969 -3.583 286 HA ASP 33 HA ASP 33 -8.584 -0.487 -3.681 287 HB2 ASP 33 1HB ASP 33 -10.016 -2.324 -4.679 288 HB3 ASP 33 2HB ASP 33 -10.612 -1.626 -3.174 289 H ALA 34 H ALA 34 -10.332 1.062 -6.277 290 HA ALA 34 HA ALA 34 -9.104 -0.256 -8.448 291 HB1 ALA 34 3HB ALA 34 -10.982 0.890 -9.095 292 HB2 ALA 34 1HB ALA 34 -10.595 2.302 -8.109 293 HB3 ALA 34 2HB ALA 34 -9.722 2.010 -9.615 294 H ASP 35 H ASP 35 -8.355 2.853 -6.877 295 HA ASP 35 HA ASP 35 -6.090 3.430 -8.458 296 HB2 ASP 35 1HB ASP 35 -7.094 4.411 -5.804 297 HB3 ASP 35 2HB ASP 35 -5.508 4.906 -6.390 298 H TRP 36 H TRP 36 -6.466 1.799 -5.343 299 HA TRP 36 HA TRP 36 -3.708 1.505 -4.801 300 HB2 TRP 36 1HB TRP 36 -6.200 0.167 -3.798 301 HB3 TRP 36 2HB TRP 36 -4.620 -0.465 -3.345 302 HD1 TRP 36 HD1 TRP 36 -7.042 2.319 -2.578 303 HE1 TRP 36 HE1 TRP 36 -6.108 3.764 -0.663 304 HE3 TRP 36 HE3 TRP 36 -2.305 0.410 -2.355 305 HZ2 TRP 36 HZ2 TRP 36 -3.684 4.056 0.754 306 HZ3 TRP 36 HZ3 TRP 36 -0.740 1.326 -0.692 307 HH2 TRP 36 HH2 TRP 36 -1.417 3.112 0.829 308 H THR 37 H THR 37 -5.795 -0.070 -6.996 309 HA THR 37 HA THR 37 -4.794 -2.639 -7.168 310 HB THR 37 HB THR 37 -5.619 -0.902 -9.502 311 HG1 THR 37 HG1 THR 37 -7.239 -1.044 -7.878 312 HG21 THR 37 3HG2 THR 37 -5.527 -3.903 -9.175 313 HG22 THR 37 1HG2 THR 37 -4.490 -2.932 -10.221 314 HG23 THR 37 2HG2 THR 37 -6.218 -3.051 -10.556 315 H GLU 38 H GLU 38 -3.492 0.344 -8.544 316 HA GLU 38 HA GLU 38 -1.360 -1.003 -9.925 317 HB2 GLU 38 1HB GLU 38 -2.298 1.777 -9.606 318 HB3 GLU 38 2HB GLU 38 -0.566 1.593 -9.837 319 HG2 GLU 38 1HG GLU 38 -1.088 0.204 -11.862 320 HG3 GLU 38 2HG GLU 38 -2.770 0.694 -11.669 321 H VAL 39 H VAL 39 -1.574 1.084 -7.052 322 HA VAL 39 HA VAL 39 1.105 1.103 -6.336 323 HB VAL 39 HB VAL 39 -1.276 1.085 -4.475 324 HG11 VAL 39 1HG1 VAL 39 1.576 1.200 -3.997 325 HG12 VAL 39 2HG1 VAL 39 0.747 2.626 -3.371 326 HG13 VAL 39 3HG1 VAL 39 0.248 1.016 -2.853 327 HG21 VAL 39 3HG2 VAL 39 0.111 3.262 -6.003 328 HG22 VAL 39 1HG2 VAL 39 -1.612 2.899 -5.906 329 HG23 VAL 39 2HG2 VAL 39 -0.781 3.607 -4.521 330 H LEU 40 H LEU 40 -1.371 -1.323 -5.716 331 HA LEU 40 HA LEU 40 0.330 -2.906 -4.017 332 HB2 LEU 40 1HB LEU 40 -1.504 -4.149 -3.583 333 HB3 LEU 40 2HB LEU 40 -2.320 -2.720 -4.213 334 HG LEU 40 HG LEU 40 -2.095 -4.071 -6.493 335 HD11 LEU 40 1HD1 LEU 40 -1.793 -6.284 -6.350 336 HD12 LEU 40 2HD1 LEU 40 -2.722 -6.417 -4.857 337 HD13 LEU 40 3HD1 LEU 40 -1.031 -5.918 -4.801 338 HD21 LEU 40 3HD2 LEU 40 -4.363 -4.776 -6.197 339 HD22 LEU 40 1HD2 LEU 40 -4.155 -3.232 -5.372 340 HD23 LEU 40 2HD2 LEU 40 -4.202 -4.729 -4.440 341 H ARG 41 H ARG 41 -0.183 -2.577 -7.382 342 HA ARG 41 HA ARG 41 0.427 -5.176 -8.266 343 HB2 ARG 41 1HB ARG 41 -0.169 -2.717 -9.453 344 HB3 ARG 41 2HB ARG 41 1.434 -3.126 -10.048 345 HG2 ARG 41 1HG ARG 41 -0.222 -3.956 -11.573 346 HG3 ARG 41 2HG ARG 41 0.569 -5.319 -10.776 347 HD2 ARG 41 1HD ARG 41 -1.336 -5.407 -9.179 348 HD3 ARG 41 2HD ARG 41 -2.136 -4.153 -10.126 349 HE ARG 41 HE ARG 41 -1.971 -6.935 -10.752 350 HH11 ARG 41 1HH1 ARG 41 -2.181 -3.747 -12.135 351 HH12 ARG 41 2HH1 ARG 41 -2.922 -4.291 -13.604 352 HH21 ARG 41 1HH2 ARG 41 -2.945 -7.664 -12.681 353 HH22 ARG 41 2HH2 ARG 41 -3.357 -6.519 -13.913 354 H LEU 42 H LEU 42 2.436 -2.523 -7.208 355 HA LEU 42 HA LEU 42 4.889 -3.622 -8.201 356 HB2 LEU 42 1HB LEU 42 4.030 -1.260 -6.722 357 HB3 LEU 42 2HB LEU 42 5.580 -1.894 -6.173 358 HG LEU 42 HG LEU 42 6.247 -1.820 -8.663 359 HD11 LEU 42 1HD1 LEU 42 5.020 -0.604 -10.149 360 HD12 LEU 42 2HD1 LEU 42 4.271 0.385 -8.896 361 HD13 LEU 42 3HD1 LEU 42 3.714 -1.266 -9.167 362 HD21 LEU 42 3HD2 LEU 42 7.116 -0.348 -6.869 363 HD22 LEU 42 1HD2 LEU 42 5.799 0.778 -7.200 364 HD23 LEU 42 2HD2 LEU 42 7.012 0.452 -8.439 365 H LEU 43 H LEU 43 3.592 -3.198 -4.902 366 HA LEU 43 HA LEU 43 5.576 -4.816 -3.683 367 HB2 LEU 43 1HB LEU 43 3.678 -3.076 -2.791 368 HB3 LEU 43 2HB LEU 43 2.990 -4.626 -2.311 369 HG LEU 43 HG LEU 43 4.171 -3.933 -0.431 370 HD11 LEU 43 1HD1 LEU 43 4.721 -6.235 -1.102 371 HD12 LEU 43 2HD1 LEU 43 6.032 -5.462 -0.211 372 HD13 LEU 43 3HD1 LEU 43 6.136 -5.629 -1.964 373 HD21 LEU 43 3HD2 LEU 43 5.446 -2.194 -1.999 374 HD22 LEU 43 1HD2 LEU 43 6.737 -3.379 -1.798 375 HD23 LEU 43 2HD2 LEU 43 6.015 -2.614 -0.382 376 H ALA 44 H ALA 44 2.886 -5.595 -5.556 377 HA ALA 44 HA ALA 44 1.907 -7.928 -4.390 378 HB1 ALA 44 3HB ALA 44 0.610 -7.283 -6.149 379 HB2 ALA 44 1HB ALA 44 1.992 -6.847 -7.155 380 HB3 ALA 44 2HB ALA 44 1.557 -8.543 -6.939 381 H LYS 45 H LYS 45 4.977 -7.308 -5.701 382 HA LYS 45 HA LYS 45 5.738 -9.742 -6.796 383 HB2 LYS 45 1HB LYS 45 8.008 -9.080 -6.389 384 HB3 LYS 45 2HB LYS 45 7.088 -7.639 -6.805 385 HG2 LYS 45 1HG LYS 45 6.849 -7.517 -4.156 386 HG3 LYS 45 2HG LYS 45 8.372 -8.402 -4.254 387 HD2 LYS 45 1HD LYS 45 7.783 -5.772 -5.612 388 HD3 LYS 45 2HD LYS 45 8.722 -5.972 -4.131 389 HE2 LYS 45 1HE LYS 45 9.894 -7.734 -5.919 390 HE3 LYS 45 2HE LYS 45 9.517 -6.319 -6.900 391 HZ1 LYS 45 3HZ LYS 45 10.605 -5.016 -5.013 392 HZ2 LYS 45 1HZ LYS 45 11.619 -5.884 -6.054 393 HZ3 LYS 45 2HZ LYS 45 11.256 -6.498 -4.522 394 H GLU 46 H GLU 46 5.156 -8.881 -3.497 395 HA GLU 46 HA GLU 46 6.326 -11.413 -2.575 396 HB2 GLU 46 1HB GLU 46 5.417 -9.019 -0.968 397 HB3 GLU 46 2HB GLU 46 6.177 -10.463 -0.316 398 HG2 GLU 46 1HG GLU 46 7.766 -9.283 -2.421 399 HG3 GLU 46 2HG GLU 46 7.439 -8.135 -1.125 400 H GLY 47 H GLY 47 3.769 -11.168 -4.010 401 HA2 GLY 47 1HA GLY 47 1.611 -11.945 -3.877 402 HA3 GLY 47 2HA GLY 47 2.238 -13.013 -2.630 403 H VAL 48 H VAL 48 1.752 -9.487 -2.746 404 HA VAL 48 HA VAL 48 0.839 -9.359 -0.068 405 HB VAL 48 HB VAL 48 0.542 -7.341 -2.297 406 HG11 VAL 48 1HG1 VAL 48 -0.306 -7.340 0.523 407 HG12 VAL 48 2HG1 VAL 48 0.539 -5.890 -0.022 408 HG13 VAL 48 3HG1 VAL 48 -0.924 -6.423 -0.852 409 HG21 VAL 48 3HG2 VAL 48 2.868 -8.186 -1.338 410 HG22 VAL 48 1HG2 VAL 48 2.585 -6.492 -1.743 411 HG23 VAL 48 2HG2 VAL 48 2.478 -7.028 -0.066 412 H VAL 49 H VAL 49 -1.209 -9.109 0.778 413 HA VAL 49 HA VAL 49 -3.318 -10.452 -0.531 414 HB VAL 49 HB VAL 49 -4.738 -9.562 1.346 415 HG11 VAL 49 1HG1 VAL 49 -4.030 -11.567 2.053 416 HG12 VAL 49 2HG1 VAL 49 -2.365 -11.264 1.550 417 HG13 VAL 49 3HG1 VAL 49 -2.948 -10.644 3.096 418 HG21 VAL 49 3HG2 VAL 49 -4.012 -8.013 2.816 419 HG22 VAL 49 1HG2 VAL 49 -2.355 -8.617 2.792 420 HG23 VAL 49 2HG2 VAL 49 -2.928 -7.560 1.501 421 H GLU 50 H GLU 50 -5.585 -9.361 -0.597 422 HA GLU 50 HA GLU 50 -5.724 -7.643 -2.723 423 HB2 GLU 50 1HB GLU 50 -8.021 -6.994 -1.733 424 HB3 GLU 50 2HB GLU 50 -7.733 -8.677 -2.152 425 HG2 GLU 50 1HG GLU 50 -6.984 -8.063 0.585 426 HG3 GLU 50 2HG GLU 50 -8.683 -7.735 0.248 427 HA PRO 51 HA PRO 51 -4.708 -3.581 -1.419 428 HB2 PRO 51 1HB PRO 51 -6.489 -2.076 -2.809 429 HB3 PRO 51 2HB PRO 51 -5.122 -2.896 -3.573 430 HG2 PRO 51 1HG PRO 51 -7.993 -3.734 -3.425 431 HG3 PRO 51 2HG PRO 51 -6.876 -3.801 -4.801 432 HD2 PRO 51 1HD PRO 51 -7.459 -5.973 -3.291 433 HD3 PRO 51 2HD PRO 51 -5.874 -5.738 -4.056 434 H GLU 52 H GLU 52 -7.979 -4.699 -0.994 435 HA GLU 52 HA GLU 52 -9.174 -2.593 0.326 436 HB2 GLU 52 1HB GLU 52 -9.696 -5.353 -0.048 437 HB3 GLU 52 2HB GLU 52 -9.875 -5.024 1.670 438 HG2 GLU 52 1HG GLU 52 -11.390 -3.127 1.056 439 HG3 GLU 52 2HG GLU 52 -11.329 -3.709 -0.607 440 H VAL 53 H VAL 53 -6.832 -4.912 1.532 441 HA VAL 53 HA VAL 53 -7.039 -3.919 4.252 442 HB VAL 53 HB VAL 53 -5.033 -5.878 3.131 443 HG11 VAL 53 1HG1 VAL 53 -5.334 -6.575 5.694 444 HG12 VAL 53 2HG1 VAL 53 -4.138 -5.392 5.158 445 HG13 VAL 53 3HG1 VAL 53 -5.677 -4.851 5.830 446 HG21 VAL 53 3HG2 VAL 53 -7.056 -6.939 2.708 447 HG22 VAL 53 1HG2 VAL 53 -6.625 -7.540 4.308 448 HG23 VAL 53 2HG2 VAL 53 -7.827 -6.260 4.141 449 H VAL 54 H VAL 54 -4.686 -3.893 1.600 450 HA VAL 54 HA VAL 54 -2.597 -2.586 2.902 451 HB VAL 54 HB VAL 54 -3.370 -2.330 -0.008 452 HG11 VAL 54 1HG1 VAL 54 -0.952 -1.551 1.556 453 HG12 VAL 54 2HG1 VAL 54 -0.770 -2.072 -0.120 454 HG13 VAL 54 3HG1 VAL 54 -1.787 -0.683 0.269 455 HG21 VAL 54 3HG2 VAL 54 -3.105 -4.666 0.732 456 HG22 VAL 54 1HG2 VAL 54 -1.852 -4.176 -0.409 457 HG23 VAL 54 2HG2 VAL 54 -1.485 -4.281 1.314 458 H ARG 55 H ARG 55 -5.631 -1.383 1.790 459 HA ARG 55 HA ARG 55 -4.870 1.370 1.619 460 HB2 ARG 55 1HB ARG 55 -6.795 0.503 0.379 461 HB3 ARG 55 2HB ARG 55 -7.601 0.101 1.890 462 HG2 ARG 55 1HG ARG 55 -7.845 2.400 2.461 463 HG3 ARG 55 2HG ARG 55 -6.806 2.899 1.124 464 HD2 ARG 55 1HD ARG 55 -8.758 3.231 0.055 465 HD3 ARG 55 2HD ARG 55 -8.692 1.488 -0.204 466 HE ARG 55 HE ARG 55 -10.512 1.280 1.149 467 HH11 ARG 55 1HH1 ARG 55 -8.961 4.320 1.840 468 HH12 ARG 55 2HH1 ARG 55 -10.185 4.841 2.949 469 HH21 ARG 55 1HH2 ARG 55 -12.131 1.956 2.608 470 HH22 ARG 55 2HH2 ARG 55 -11.987 3.496 3.387 471 H GLN 56 H GLN 56 -6.302 -0.691 4.093 472 HA GLN 56 HA GLN 56 -6.646 1.515 5.933 473 HB2 GLN 56 1HB GLN 56 -8.274 -0.288 5.959 474 HB3 GLN 56 2HB GLN 56 -7.008 -1.464 6.287 475 HG2 GLN 56 1HG GLN 56 -8.106 -1.073 8.332 476 HG3 GLN 56 2HG GLN 56 -6.560 -0.232 8.427 477 HE21 GLN 56 2HE2 GLN 56 -6.554 1.862 8.912 478 HE22 GLN 56 1HE2 GLN 56 -7.954 2.872 8.998 479 H ILE 57 H ILE 57 -4.632 -1.414 5.765 480 HA ILE 57 HA ILE 57 -3.174 -1.057 8.096 481 HB ILE 57 HB ILE 57 -2.195 -2.223 5.487 482 HG12 ILE 57 1HG1 ILE 57 -4.243 -3.292 6.379 483 HG13 ILE 57 2HG1 ILE 57 -2.855 -4.373 6.422 484 HG21 ILE 57 1HG2 ILE 57 -0.258 -1.906 6.717 485 HG22 ILE 57 2HG2 ILE 57 -1.066 -2.201 8.255 486 HG23 ILE 57 3HG2 ILE 57 -0.731 -3.545 7.164 487 HD11 ILE 57 3HD1 ILE 57 -3.035 -2.935 8.887 488 HD12 ILE 57 1HD1 ILE 57 -4.579 -3.703 8.520 489 HD13 ILE 57 2HD1 ILE 57 -3.108 -4.673 8.595 490 H ALA 58 H ALA 58 -2.657 0.326 4.890 491 HA ALA 58 HA ALA 58 -0.142 1.479 5.349 492 HB1 ALA 58 3HB ALA 58 -0.725 1.448 3.122 493 HB2 ALA 58 1HB ALA 58 -2.365 2.022 3.433 494 HB3 ALA 58 2HB ALA 58 -1.005 3.141 3.532 495 H ILE 59 H ILE 59 -3.239 2.313 6.542 496 HA ILE 59 HA ILE 59 -2.608 5.085 7.062 497 HB ILE 59 HB ILE 59 -4.924 3.422 8.059 498 HG12 ILE 59 1HG1 ILE 59 -4.926 5.452 5.824 499 HG13 ILE 59 2HG1 ILE 59 -4.697 3.728 5.545 500 HG21 ILE 59 1HG2 ILE 59 -4.023 6.071 8.709 501 HG22 ILE 59 2HG2 ILE 59 -5.608 6.134 7.941 502 HG23 ILE 59 3HG2 ILE 59 -5.366 5.149 9.384 503 HD11 ILE 59 3HD1 ILE 59 -7.128 5.236 6.179 504 HD12 ILE 59 1HD1 ILE 59 -6.918 3.739 5.271 505 HD13 ILE 59 2HD1 ILE 59 -6.950 3.705 7.035 506 H THR 60 H THR 60 -2.971 2.109 8.956 507 HA THR 60 HA THR 60 -2.146 3.450 11.392 508 HB THR 60 HB THR 60 -2.589 1.418 12.535 509 HG1 THR 60 HG1 THR 60 -2.573 -0.531 11.575 510 HG21 THR 60 3HG2 THR 60 -4.582 1.631 10.276 511 HG22 THR 60 1HG2 THR 60 -4.594 2.600 11.748 512 HG23 THR 60 2HG2 THR 60 -4.861 0.859 11.837 513 H ARG 61 H ARG 61 -0.549 2.282 8.766 514 HA ARG 61 HA ARG 61 1.812 1.524 10.360 515 HB2 ARG 61 1HB ARG 61 1.013 0.662 7.576 516 HB3 ARG 61 2HB ARG 61 2.571 0.305 8.311 517 HG2 ARG 61 1HG ARG 61 -0.121 -0.617 9.295 518 HG3 ARG 61 2HG ARG 61 1.099 -1.602 8.485 519 HD2 ARG 61 1HD ARG 61 2.533 -0.544 10.541 520 HD3 ARG 61 2HD ARG 61 0.937 -0.702 11.275 521 HE ARG 61 HE ARG 61 1.476 -3.101 9.995 522 HH11 ARG 61 1HH1 ARG 61 2.800 -1.208 12.599 523 HH12 ARG 61 2HH1 ARG 61 3.409 -2.582 13.462 524 HH21 ARG 61 1HH2 ARG 61 2.272 -4.918 11.122 525 HH22 ARG 61 2HH2 ARG 61 3.108 -4.692 12.621 526 H LEU 62 H LEU 62 0.828 3.054 7.298 527 HA LEU 62 HA LEU 62 3.356 4.527 7.247 528 HB2 LEU 62 1HB LEU 62 1.481 3.558 5.258 529 HB3 LEU 62 2HB LEU 62 1.880 5.257 5.014 530 HG LEU 62 HG LEU 62 3.889 3.012 5.187 531 HD11 LEU 62 1HD1 LEU 62 2.696 4.460 2.833 532 HD12 LEU 62 2HD1 LEU 62 2.662 2.730 3.172 533 HD13 LEU 62 3HD1 LEU 62 4.184 3.515 2.747 534 HD21 LEU 62 3HD2 LEU 62 4.689 5.238 5.937 535 HD22 LEU 62 1HD2 LEU 62 4.255 5.886 4.355 536 HD23 LEU 62 2HD2 LEU 62 5.504 4.649 4.488 537 H LYS 63 H LYS 63 0.755 4.993 8.897 538 HA LYS 63 HA LYS 63 -0.471 6.758 9.663 539 HB2 LYS 63 1HB LYS 63 2.166 7.979 8.924 540 HB3 LYS 63 2HB LYS 63 0.863 9.001 9.517 541 HG2 LYS 63 1HG LYS 63 0.802 7.152 11.424 542 HG3 LYS 63 2HG LYS 63 2.491 6.977 10.940 543 HD2 LYS 63 1HD LYS 63 2.950 8.724 12.244 544 HD3 LYS 63 2HD LYS 63 2.069 9.729 11.090 545 HE2 LYS 63 1HE LYS 63 1.032 10.214 13.111 546 HE3 LYS 63 2HE LYS 63 -0.030 9.000 12.401 547 HZ1 LYS 63 3HZ LYS 63 1.887 8.697 14.624 548 HZ2 LYS 63 1HZ LYS 63 1.364 7.351 13.742 549 HZ3 LYS 63 2HZ LYS 63 0.243 8.302 14.580 550 H TRP 64 H TRP 64 -0.828 6.005 6.859 551 HA TRP 64 HA TRP 64 -1.100 8.302 5.236 552 HB2 TRP 64 1HB TRP 64 -1.027 5.909 4.439 553 HB3 TRP 64 2HB TRP 64 -2.689 5.744 4.999 554 HD1 TRP 64 HD1 TRP 64 -0.976 8.497 2.847 555 HE1 TRP 64 HE1 TRP 64 -2.412 8.850 0.740 556 HE3 TRP 64 HE3 TRP 64 -4.574 4.971 3.718 557 HZ2 TRP 64 HZ2 TRP 64 -4.760 7.776 -0.401 558 HZ3 TRP 64 HZ3 TRP 64 -6.381 4.698 2.069 559 HH2 TRP 64 HH2 TRP 64 -6.470 6.072 0.054 560 H VAL 65 H VAL 65 -3.024 9.380 4.564 561 HA VAL 65 HA VAL 65 -5.420 9.036 6.177 562 HB VAL 65 HB VAL 65 -5.489 11.527 6.650 563 HG11 VAL 65 1HG1 VAL 65 -4.580 11.224 8.741 564 HG12 VAL 65 2HG1 VAL 65 -4.790 9.551 8.220 565 HG13 VAL 65 3HG1 VAL 65 -3.201 10.311 8.128 566 HG21 VAL 65 3HG2 VAL 65 -3.183 11.536 5.102 567 HG22 VAL 65 1HG2 VAL 65 -3.813 12.872 6.065 568 HG23 VAL 65 2HG2 VAL 65 -2.607 11.784 6.750 569 H GLU 66 H GLU 66 -7.024 9.002 4.760 570 HA GLU 66 HA GLU 66 -6.902 9.710 2.097 571 HB2 GLU 66 1HB GLU 66 -9.454 9.860 2.275 572 HB3 GLU 66 2HB GLU 66 -8.698 8.339 2.726 573 HG2 GLU 66 1HG GLU 66 -9.010 10.200 4.951 574 HG3 GLU 66 2HG GLU 66 -10.531 9.704 4.212 575 HA PRO 67 HA PRO 67 -7.208 14.077 1.805 576 HB2 PRO 67 1HB PRO 67 -8.740 14.373 -0.416 577 HB3 PRO 67 2HB PRO 67 -7.061 13.824 -0.474 578 HG2 PRO 67 1HG PRO 67 -9.585 12.218 -0.589 579 HG3 PRO 67 2HG PRO 67 -8.105 12.049 -1.553 580 HD2 PRO 67 1HD PRO 67 -8.657 10.450 0.561 581 HD3 PRO 67 2HD PRO 67 -7.000 10.904 0.115 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.455 1.349 18.168 2 HA2 GLY 1 1HA GLY 1 -16.234 1.102 16.724 3 HA3 GLY 1 2HA GLY 1 -15.227 1.780 15.453 4 HA PRO 2 HA PRO 2 -16.000 -2.797 14.726 5 HB2 PRO 2 1HB PRO 2 -17.234 -2.510 12.325 6 HB3 PRO 2 2HB PRO 2 -18.108 -2.494 13.862 7 HG2 PRO 2 1HG PRO 2 -17.223 -0.194 12.162 8 HG3 PRO 2 2HG PRO 2 -18.767 -0.438 13.000 9 HD2 PRO 2 1HD PRO 2 -16.809 1.152 13.986 10 HD3 PRO 2 2HD PRO 2 -17.914 0.238 15.032 11 H LEU 3 H LEU 3 -15.550 -3.874 12.411 12 HA LEU 3 HA LEU 3 -13.930 -4.441 10.918 13 HB2 LEU 3 1HB LEU 3 -13.572 -1.464 10.626 14 HB3 LEU 3 2HB LEU 3 -13.109 -2.704 9.463 15 HG LEU 3 HG LEU 3 -15.943 -2.799 10.080 16 HD11 LEU 3 1HD1 LEU 3 -15.754 -0.431 10.441 17 HD12 LEU 3 2HD1 LEU 3 -16.506 -0.712 8.872 18 HD13 LEU 3 3HD1 LEU 3 -14.810 -0.240 8.964 19 HD21 LEU 3 3HD2 LEU 3 -16.091 -2.729 7.625 20 HD22 LEU 3 1HD2 LEU 3 -14.938 -3.937 8.192 21 HD23 LEU 3 2HD2 LEU 3 -14.360 -2.403 7.543 22 H GLY 4 H GLY 4 -13.114 -4.412 13.589 23 HA2 GLY 4 1HA GLY 4 -10.561 -3.069 13.779 24 HA3 GLY 4 2HA GLY 4 -11.266 -4.147 14.973 25 H SER 5 H SER 5 -8.977 -3.820 12.498 26 HA SER 5 HA SER 5 -7.394 -5.216 11.647 27 HB2 SER 5 1HB SER 5 -7.463 -5.860 14.230 28 HB3 SER 5 2HB SER 5 -8.059 -7.388 13.581 29 HG SER 5 HG SER 5 -5.678 -6.104 12.726 30 H VAL 6 H VAL 6 -7.093 -7.629 10.880 31 HA VAL 6 HA VAL 6 -9.459 -9.083 10.232 32 HB VAL 6 HB VAL 6 -9.691 -7.199 8.641 33 HG11 VAL 6 1HG1 VAL 6 -8.043 -6.469 7.314 34 HG12 VAL 6 2HG1 VAL 6 -6.971 -7.371 8.387 35 HG13 VAL 6 3HG1 VAL 6 -7.538 -8.103 6.885 36 HG21 VAL 6 3HG2 VAL 6 -10.370 -9.648 8.195 37 HG22 VAL 6 1HG2 VAL 6 -10.340 -8.521 6.838 38 HG23 VAL 6 2HG2 VAL 6 -9.013 -9.660 7.067 39 H ALA 7 H ALA 7 -9.021 -11.080 9.241 40 HA ALA 7 HA ALA 7 -6.604 -12.288 9.864 41 HB1 ALA 7 3HB ALA 7 -8.067 -13.437 7.576 42 HB2 ALA 7 1HB ALA 7 -7.534 -14.189 9.080 43 HB3 ALA 7 2HB ALA 7 -8.997 -13.204 9.055 44 H LYS 8 H LYS 8 -4.647 -12.145 9.006 45 HA LYS 8 HA LYS 8 -4.361 -11.694 6.126 46 HB2 LYS 8 1HB LYS 8 -2.744 -9.947 6.409 47 HB3 LYS 8 2HB LYS 8 -4.182 -9.498 7.316 48 HG2 LYS 8 1HG LYS 8 -3.136 -10.134 9.386 49 HG3 LYS 8 2HG LYS 8 -1.727 -10.755 8.523 50 HD2 LYS 8 1HD LYS 8 -0.858 -8.696 8.198 51 HD3 LYS 8 2HD LYS 8 -2.440 -7.957 7.936 52 HE2 LYS 8 1HE LYS 8 -2.831 -7.711 10.230 53 HE3 LYS 8 2HE LYS 8 -1.575 -8.872 10.659 54 HZ1 LYS 8 3HZ LYS 8 -0.996 -6.490 11.042 55 HZ2 LYS 8 1HZ LYS 8 -1.005 -6.266 9.365 56 HZ3 LYS 8 2HZ LYS 8 0.104 -7.332 10.071 57 H LYS 9 H LYS 9 -2.219 -12.229 5.311 58 HA LYS 9 HA LYS 9 -0.725 -14.054 7.073 59 HB2 LYS 9 1HB LYS 9 -2.245 -14.794 4.828 60 HB3 LYS 9 2HB LYS 9 -0.567 -14.859 4.304 61 HG2 LYS 9 1HG LYS 9 -0.887 -16.073 6.899 62 HG3 LYS 9 2HG LYS 9 -1.968 -16.804 5.711 63 HD2 LYS 9 1HD LYS 9 -0.275 -17.789 4.619 64 HD3 LYS 9 2HD LYS 9 0.731 -16.341 4.696 65 HE2 LYS 9 1HE LYS 9 1.542 -16.893 6.836 66 HE3 LYS 9 2HE LYS 9 0.281 -18.099 7.091 67 HZ1 LYS 9 3HZ LYS 9 2.700 -18.280 5.418 68 HZ2 LYS 9 1HZ LYS 9 1.358 -19.254 5.081 69 HZ3 LYS 9 2HZ LYS 9 2.127 -19.364 6.583 70 H ILE 10 H ILE 10 -0.314 -11.232 6.199 71 HA ILE 10 HA ILE 10 2.409 -11.598 5.163 72 HB ILE 10 HB ILE 10 0.488 -9.469 4.212 73 HG12 ILE 10 1HG1 ILE 10 1.632 -11.029 2.111 74 HG13 ILE 10 2HG1 ILE 10 0.956 -12.129 3.307 75 HG21 ILE 10 1HG2 ILE 10 2.536 -9.205 2.557 76 HG22 ILE 10 2HG2 ILE 10 2.470 -8.349 4.097 77 HG23 ILE 10 3HG2 ILE 10 3.424 -9.826 3.949 78 HD11 ILE 10 3HD1 ILE 10 -0.470 -11.133 1.308 79 HD12 ILE 10 1HD1 ILE 10 -1.174 -11.494 2.884 80 HD13 ILE 10 2HD1 ILE 10 -0.721 -9.839 2.479 81 H THR 11 H THR 11 3.703 -10.934 6.740 82 HA THR 11 HA THR 11 2.854 -8.915 8.633 83 HB THR 11 HB THR 11 5.547 -10.276 8.476 84 HG1 THR 11 HG1 THR 11 3.725 -11.754 8.683 85 HG21 THR 11 3HG2 THR 11 5.252 -9.820 11.047 86 HG22 THR 11 1HG2 THR 11 4.147 -8.567 10.484 87 HG23 THR 11 2HG2 THR 11 5.835 -8.549 9.973 88 H TRP 12 H TRP 12 2.927 -6.869 7.937 89 HA TRP 12 HA TRP 12 4.854 -5.943 6.032 90 HB2 TRP 12 1HB TRP 12 2.971 -4.327 7.763 91 HB3 TRP 12 2HB TRP 12 3.807 -3.764 6.319 92 HD1 TRP 12 HD1 TRP 12 1.100 -6.352 7.308 93 HE1 TRP 12 HE1 TRP 12 -0.493 -6.637 5.307 94 HE3 TRP 12 HE3 TRP 12 3.508 -3.374 3.921 95 HZ2 TRP 12 HZ2 TRP 12 -0.703 -5.721 2.645 96 HZ3 TRP 12 HZ3 TRP 12 2.546 -3.132 1.670 97 HH2 TRP 12 HH2 TRP 12 0.485 -4.282 1.047 98 H ARG 13 H ARG 13 6.916 -5.649 6.559 99 HA ARG 13 HA ARG 13 7.597 -4.774 9.272 100 HB2 ARG 13 1HB ARG 13 9.276 -5.959 7.058 101 HB3 ARG 13 2HB ARG 13 9.936 -5.384 8.583 102 HG2 ARG 13 1HG ARG 13 8.421 -7.012 9.741 103 HG3 ARG 13 2HG ARG 13 8.040 -7.675 8.150 104 HD2 ARG 13 1HD ARG 13 10.703 -7.719 7.992 105 HD3 ARG 13 2HD ARG 13 10.532 -7.850 9.742 106 HE ARG 13 HE ARG 13 9.883 -9.852 7.780 107 HH11 ARG 13 1HH1 ARG 13 9.285 -8.696 11.010 108 HH12 ARG 13 2HH1 ARG 13 8.760 -10.237 11.604 109 HH21 ARG 13 1HH2 ARG 13 9.195 -11.885 8.551 110 HH22 ARG 13 2HH2 ARG 13 8.710 -12.050 10.205 111 H LYS 14 H LYS 14 9.760 -3.401 9.213 112 HA LYS 14 HA LYS 14 9.069 -0.864 8.239 113 HB2 LYS 14 1HB LYS 14 11.348 -0.198 8.887 114 HB3 LYS 14 2HB LYS 14 10.570 -1.161 10.137 115 HG2 LYS 14 1HG LYS 14 11.840 -3.099 8.764 116 HG3 LYS 14 2HG LYS 14 12.937 -1.744 8.491 117 HD2 LYS 14 1HD LYS 14 11.934 -2.264 11.252 118 HD3 LYS 14 2HD LYS 14 13.206 -3.296 10.595 119 HE2 LYS 14 1HE LYS 14 14.755 -1.669 10.712 120 HE3 LYS 14 2HE LYS 14 13.627 -0.420 10.189 121 HZ1 LYS 14 3HZ LYS 14 12.688 -0.417 12.437 122 HZ2 LYS 14 1HZ LYS 14 14.330 -0.011 12.439 123 HZ3 LYS 14 2HZ LYS 14 13.840 -1.555 12.924 124 H GLN 15 H GLN 15 10.915 -3.466 6.828 125 HA GLN 15 HA GLN 15 12.224 -2.009 4.805 126 HB2 GLN 15 1HB GLN 15 12.372 -4.554 5.641 127 HB3 GLN 15 2HB GLN 15 11.360 -4.788 4.222 128 HG2 GLN 15 1HG GLN 15 13.680 -5.118 3.657 129 HG3 GLN 15 2HG GLN 15 13.054 -3.688 2.840 130 HE21 GLN 15 2HE2 GLN 15 14.210 -1.901 2.979 131 HE22 GLN 15 1HE2 GLN 15 15.455 -1.585 4.135 132 H ASP 16 H ASP 16 9.325 -4.074 4.537 133 HA ASP 16 HA ASP 16 8.655 -3.262 1.932 134 HB2 ASP 16 1HB ASP 16 7.421 -4.839 4.065 135 HB3 ASP 16 2HB ASP 16 6.246 -3.977 3.078 136 H LEU 17 H LEU 17 7.947 -1.889 5.064 137 HA LEU 17 HA LEU 17 5.835 -0.188 4.323 138 HB2 LEU 17 1HB LEU 17 7.652 -0.493 6.587 139 HB3 LEU 17 2HB LEU 17 7.156 1.175 6.308 140 HG LEU 17 HG LEU 17 4.811 0.516 6.509 141 HD11 LEU 17 1HD1 LEU 17 4.135 -1.587 6.329 142 HD12 LEU 17 2HD1 LEU 17 5.171 -2.082 7.667 143 HD13 LEU 17 3HD1 LEU 17 5.806 -2.059 6.021 144 HD21 LEU 17 3HD2 LEU 17 4.773 0.299 8.841 145 HD22 LEU 17 1HD2 LEU 17 6.298 1.116 8.497 146 HD23 LEU 17 2HD2 LEU 17 6.286 -0.608 8.871 147 H ASP 18 H ASP 18 9.336 0.404 4.521 148 HA ASP 18 HA ASP 18 9.353 3.078 3.780 149 HB2 ASP 18 1HB ASP 18 11.283 1.413 4.490 150 HB3 ASP 18 2HB ASP 18 11.503 1.280 2.747 151 H ARG 19 H ARG 19 9.265 0.184 1.760 152 HA ARG 19 HA ARG 19 9.559 1.546 -0.715 153 HB2 ARG 19 1HB ARG 19 9.917 -0.944 -0.227 154 HB3 ARG 19 2HB ARG 19 8.169 -1.101 -0.348 155 HG2 ARG 19 1HG ARG 19 8.221 -0.308 -2.633 156 HG3 ARG 19 2HG ARG 19 9.961 -0.036 -2.521 157 HD2 ARG 19 1HD ARG 19 10.412 -2.346 -2.374 158 HD3 ARG 19 2HD ARG 19 8.723 -2.733 -2.049 159 HE ARG 19 HE ARG 19 8.301 -2.670 -4.305 160 HH11 ARG 19 1HH1 ARG 19 11.435 -1.298 -3.667 161 HH12 ARG 19 2HH1 ARG 19 11.888 -1.224 -5.337 162 HH21 ARG 19 1HH2 ARG 19 8.884 -2.578 -6.509 163 HH22 ARG 19 2HH2 ARG 19 10.435 -1.952 -6.953 164 H LEU 20 H LEU 20 6.705 0.158 0.909 165 HA LEU 20 HA LEU 20 4.779 0.927 -0.927 166 HB2 LEU 20 1HB LEU 20 4.324 -0.579 0.925 167 HB3 LEU 20 2HB LEU 20 4.551 0.738 2.073 168 HG LEU 20 HG LEU 20 2.560 1.860 1.063 169 HD11 LEU 20 1HD1 LEU 20 2.027 -0.793 -0.246 170 HD12 LEU 20 2HD1 LEU 20 2.741 0.572 -1.103 171 HD13 LEU 20 3HD1 LEU 20 1.122 0.711 -0.415 172 HD21 LEU 20 3HD2 LEU 20 1.353 -0.635 1.879 173 HD22 LEU 20 1HD2 LEU 20 1.377 0.926 2.698 174 HD23 LEU 20 2HD2 LEU 20 2.711 -0.206 2.919 175 H LYS 21 H LYS 21 6.253 2.770 1.686 176 HA LYS 21 HA LYS 21 4.529 5.000 1.583 177 HB2 LYS 21 1HB LYS 21 6.314 4.341 3.352 178 HB3 LYS 21 2HB LYS 21 7.434 5.213 2.315 179 HG2 LYS 21 1HG LYS 21 6.420 7.255 2.713 180 HG3 LYS 21 2HG LYS 21 4.903 6.513 3.228 181 HD2 LYS 21 1HD LYS 21 5.598 6.294 5.354 182 HD3 LYS 21 2HD LYS 21 7.218 5.785 4.871 183 HE2 LYS 21 1HE LYS 21 6.517 8.617 4.388 184 HE3 LYS 21 2HE LYS 21 6.702 8.129 6.071 185 HZ1 LYS 21 3HZ LYS 21 8.764 8.960 4.947 186 HZ2 LYS 21 1HZ LYS 21 8.743 7.559 4.000 187 HZ3 LYS 21 2HZ LYS 21 8.910 7.441 5.679 188 H ARG 22 H ARG 22 7.216 4.014 -0.380 189 HA ARG 22 HA ARG 22 7.602 6.606 -1.585 190 HB2 ARG 22 1HB ARG 22 9.124 4.294 -1.383 191 HB3 ARG 22 2HB ARG 22 8.665 4.343 -3.080 192 HG2 ARG 22 1HG ARG 22 9.442 6.851 -2.865 193 HG3 ARG 22 2HG ARG 22 10.381 6.196 -1.522 194 HD2 ARG 22 1HD ARG 22 11.888 5.416 -2.952 195 HD3 ARG 22 2HD ARG 22 10.649 4.423 -3.716 196 HE ARG 22 HE ARG 22 10.377 6.998 -4.723 197 HH11 ARG 22 1HH1 ARG 22 12.735 4.436 -4.730 198 HH12 ARG 22 2HH1 ARG 22 13.402 4.878 -6.267 199 HH21 ARG 22 1HH2 ARG 22 11.247 7.589 -6.747 200 HH22 ARG 22 2HH2 ARG 22 12.555 6.671 -7.414 201 H VAL 23 H VAL 23 5.788 3.703 -2.253 202 HA VAL 23 HA VAL 23 5.225 4.242 -4.984 203 HB VAL 23 HB VAL 23 3.533 2.617 -3.084 204 HG11 VAL 23 1HG1 VAL 23 3.072 1.345 -5.223 205 HG12 VAL 23 2HG1 VAL 23 2.368 2.959 -5.111 206 HG13 VAL 23 3HG1 VAL 23 3.821 2.694 -6.077 207 HG21 VAL 23 3HG2 VAL 23 5.507 1.512 -2.801 208 HG22 VAL 23 1HG2 VAL 23 4.974 0.746 -4.298 209 HG23 VAL 23 2HG2 VAL 23 6.159 2.051 -4.348 210 H ILE 24 H ILE 24 3.350 4.746 -2.002 211 HA ILE 24 HA ILE 24 1.068 5.852 -3.135 212 HB ILE 24 HB ILE 24 2.315 6.555 -0.476 213 HG12 ILE 24 1HG1 ILE 24 0.229 4.488 -1.205 214 HG13 ILE 24 2HG1 ILE 24 1.890 4.150 -0.733 215 HG21 ILE 24 1HG2 ILE 24 -0.508 6.919 -1.471 216 HG22 ILE 24 2HG2 ILE 24 0.048 7.227 0.173 217 HG23 ILE 24 3HG2 ILE 24 0.663 8.202 -1.163 218 HD11 ILE 24 3HD1 ILE 24 -0.444 4.825 0.909 219 HD12 ILE 24 1HD1 ILE 24 0.973 3.846 1.287 220 HD13 ILE 24 2HD1 ILE 24 1.066 5.605 1.381 221 H ALA 25 H ALA 25 4.215 7.221 -2.690 222 HA ALA 25 HA ALA 25 3.364 9.956 -3.005 223 HB1 ALA 25 3HB ALA 25 5.975 10.166 -3.382 224 HB2 ALA 25 1HB ALA 25 5.282 9.935 -1.776 225 HB3 ALA 25 2HB ALA 25 5.960 8.561 -2.650 226 H LEU 26 H LEU 26 4.425 7.360 -5.059 227 HA LEU 26 HA LEU 26 4.873 9.106 -7.334 228 HB2 LEU 26 1HB LEU 26 5.772 6.577 -6.582 229 HB3 LEU 26 2HB LEU 26 4.715 6.292 -7.963 230 HG LEU 26 HG LEU 26 6.709 8.442 -8.293 231 HD11 LEU 26 1HD1 LEU 26 7.478 5.800 -7.392 232 HD12 LEU 26 2HD1 LEU 26 8.459 7.247 -7.621 233 HD13 LEU 26 3HD1 LEU 26 8.140 6.174 -8.984 234 HD21 LEU 26 3HD2 LEU 26 6.933 7.242 -10.497 235 HD22 LEU 26 1HD2 LEU 26 5.335 7.901 -10.147 236 HD23 LEU 26 2HD2 LEU 26 5.637 6.173 -9.957 237 H LYS 27 H LYS 27 2.729 6.340 -6.635 238 HA LYS 27 HA LYS 27 1.059 6.811 -8.885 239 HB2 LYS 27 1HB LYS 27 0.477 5.232 -6.372 240 HB3 LYS 27 2HB LYS 27 -0.424 5.138 -7.880 241 HG2 LYS 27 1HG LYS 27 2.441 4.326 -7.444 242 HG3 LYS 27 2HG LYS 27 1.062 3.255 -7.701 243 HD2 LYS 27 1HD LYS 27 2.103 5.279 -9.685 244 HD3 LYS 27 2HD LYS 27 2.406 3.541 -9.741 245 HE2 LYS 27 1HE LYS 27 0.496 3.230 -10.828 246 HE3 LYS 27 2HE LYS 27 -0.397 3.955 -9.492 247 HZ1 LYS 27 3HZ LYS 27 -0.938 5.274 -11.299 248 HZ2 LYS 27 1HZ LYS 27 0.628 5.244 -11.939 249 HZ3 LYS 27 2HZ LYS 27 0.297 6.161 -10.557 250 H LYS 28 H LYS 28 0.720 7.510 -5.421 251 HA LYS 28 HA LYS 28 -0.631 8.936 -4.274 252 HB2 LYS 28 1HB LYS 28 -0.366 10.283 -6.936 253 HB3 LYS 28 2HB LYS 28 -1.469 10.947 -5.738 254 HG2 LYS 28 1HG LYS 28 0.727 10.645 -4.220 255 HG3 LYS 28 2HG LYS 28 1.474 10.919 -5.795 256 HD2 LYS 28 1HD LYS 28 0.669 13.058 -5.957 257 HD3 LYS 28 2HD LYS 28 -0.747 12.714 -4.959 258 HE2 LYS 28 1HE LYS 28 0.308 13.656 -3.245 259 HE3 LYS 28 2HE LYS 28 1.472 12.332 -3.294 260 HZ1 LYS 28 3HZ LYS 28 1.983 14.372 -5.251 261 HZ2 LYS 28 1HZ LYS 28 3.036 13.653 -4.138 262 HZ3 LYS 28 2HZ LYS 28 2.057 14.948 -3.662 263 HA PRO 29 HA PRO 29 -4.390 6.814 -5.981 264 HB2 PRO 29 1HB PRO 29 -5.036 5.578 -3.651 265 HB3 PRO 29 2HB PRO 29 -3.914 4.885 -4.828 266 HG2 PRO 29 1HG PRO 29 -3.324 6.383 -2.304 267 HG3 PRO 29 2HG PRO 29 -2.553 4.919 -2.943 268 HD2 PRO 29 1HD PRO 29 -1.443 7.376 -3.189 269 HD3 PRO 29 2HD PRO 29 -1.229 6.105 -4.410 270 H SER 30 H SER 30 -6.648 6.887 -5.037 271 HA SER 30 HA SER 30 -7.019 9.301 -3.390 272 HB2 SER 30 1HB SER 30 -8.702 8.471 -5.767 273 HB3 SER 30 2HB SER 30 -8.978 9.884 -4.748 274 HG SER 30 HG SER 30 -7.347 9.628 -6.859 275 H ALA 31 H ALA 31 -6.926 6.808 -2.250 276 HA ALA 31 HA ALA 31 -8.063 5.365 -0.903 277 HB1 ALA 31 3HB ALA 31 -9.607 6.321 0.499 278 HB2 ALA 31 1HB ALA 31 -8.820 7.760 -0.153 279 HB3 ALA 31 2HB ALA 31 -10.379 7.238 -0.796 280 H SER 32 H SER 32 -8.325 3.885 -2.690 281 HA SER 32 HA SER 32 -10.950 2.943 -2.981 282 HB2 SER 32 1HB SER 32 -10.009 4.831 -5.065 283 HB3 SER 32 2HB SER 32 -10.799 3.365 -5.642 284 HG SER 32 HG SER 32 -12.600 4.306 -5.148 285 H ASP 33 H ASP 33 -10.912 0.857 -3.612 286 HA ASP 33 HA ASP 33 -8.561 -0.582 -3.756 287 HB2 ASP 33 1HB ASP 33 -9.968 -2.412 -4.761 288 HB3 ASP 33 2HB ASP 33 -10.614 -1.718 -3.277 289 H ALA 34 H ALA 34 -10.297 1.059 -6.294 290 HA ALA 34 HA ALA 34 -9.107 -0.200 -8.516 291 HB1 ALA 34 3HB ALA 34 -10.343 2.521 -8.168 292 HB2 ALA 34 1HB ALA 34 -9.750 1.924 -9.720 293 HB3 ALA 34 2HB ALA 34 -11.060 1.081 -8.892 294 H ASP 35 H ASP 35 -8.285 2.857 -6.877 295 HA ASP 35 HA ASP 35 -5.981 3.370 -8.436 296 HB2 ASP 35 1HB ASP 35 -7.402 4.656 -6.340 297 HB3 ASP 35 2HB ASP 35 -5.718 4.540 -5.837 298 H TRP 36 H TRP 36 -6.509 1.647 -5.417 299 HA TRP 36 HA TRP 36 -3.783 1.352 -4.712 300 HB2 TRP 36 1HB TRP 36 -6.339 0.029 -3.898 301 HB3 TRP 36 2HB TRP 36 -4.811 -0.713 -3.432 302 HD1 TRP 36 HD1 TRP 36 -7.199 1.953 -2.410 303 HE1 TRP 36 HE1 TRP 36 -6.241 3.288 -0.429 304 HE3 TRP 36 HE3 TRP 36 -2.388 0.225 -2.517 305 HZ2 TRP 36 HZ2 TRP 36 -3.773 3.572 0.911 306 HZ3 TRP 36 HZ3 TRP 36 -0.791 1.080 -0.851 307 HH2 TRP 36 HH2 TRP 36 -1.471 2.718 0.826 308 H THR 37 H THR 37 -5.750 -0.168 -7.064 309 HA THR 37 HA THR 37 -4.654 -2.708 -7.269 310 HB THR 37 HB THR 37 -5.387 -1.061 -9.684 311 HG1 THR 37 HG1 THR 37 -7.188 -2.470 -7.983 312 HG21 THR 37 3HG2 THR 37 -4.519 -3.244 -10.202 313 HG22 THR 37 1HG2 THR 37 -6.262 -3.265 -10.461 314 HG23 THR 37 2HG2 THR 37 -5.577 -3.998 -9.011 315 H GLU 38 H GLU 38 -3.408 0.377 -8.394 316 HA GLU 38 HA GLU 38 -1.237 -0.822 -9.868 317 HB2 GLU 38 1HB GLU 38 -2.435 1.766 -9.674 318 HB3 GLU 38 2HB GLU 38 -0.716 1.922 -9.342 319 HG2 GLU 38 1HG GLU 38 -1.832 0.521 -11.756 320 HG3 GLU 38 2HG GLU 38 -1.362 2.220 -11.731 321 H VAL 39 H VAL 39 -1.485 1.181 -6.929 322 HA VAL 39 HA VAL 39 1.187 1.139 -6.185 323 HB VAL 39 HB VAL 39 -1.221 1.152 -4.361 324 HG11 VAL 39 1HG1 VAL 39 1.566 1.034 -3.778 325 HG12 VAL 39 2HG1 VAL 39 0.948 2.615 -3.292 326 HG13 VAL 39 3HG1 VAL 39 0.206 1.144 -2.662 327 HG21 VAL 39 3HG2 VAL 39 -1.109 3.537 -4.444 328 HG22 VAL 39 1HG2 VAL 39 0.379 3.488 -5.389 329 HG23 VAL 39 2HG2 VAL 39 -1.139 2.946 -6.105 330 H LEU 40 H LEU 40 -1.347 -1.241 -5.611 331 HA LEU 40 HA LEU 40 0.312 -2.881 -3.924 332 HB2 LEU 40 1HB LEU 40 -1.557 -4.057 -3.489 333 HB3 LEU 40 2HB LEU 40 -2.343 -2.630 -4.162 334 HG LEU 40 HG LEU 40 -2.114 -4.018 -6.409 335 HD11 LEU 40 1HD1 LEU 40 -2.815 -6.442 -5.462 336 HD12 LEU 40 2HD1 LEU 40 -1.621 -5.964 -4.256 337 HD13 LEU 40 3HD1 LEU 40 -1.178 -6.016 -5.963 338 HD21 LEU 40 3HD2 LEU 40 -4.386 -4.791 -6.071 339 HD22 LEU 40 1HD2 LEU 40 -4.189 -3.175 -5.389 340 HD23 LEU 40 2HD2 LEU 40 -4.223 -4.583 -4.326 341 H ARG 41 H ARG 41 -0.175 -2.497 -7.285 342 HA ARG 41 HA ARG 41 0.279 -5.047 -8.285 343 HB2 ARG 41 1HB ARG 41 -0.114 -2.624 -9.410 344 HB3 ARG 41 2HB ARG 41 1.608 -2.816 -9.707 345 HG2 ARG 41 1HG ARG 41 0.836 -5.190 -10.567 346 HG3 ARG 41 2HG ARG 41 -0.691 -4.337 -10.802 347 HD2 ARG 41 1HD ARG 41 0.162 -3.697 -12.767 348 HD3 ARG 41 2HD ARG 41 1.146 -2.577 -11.826 349 HE ARG 41 HE ARG 41 2.583 -4.891 -11.828 350 HH11 ARG 41 1HH1 ARG 41 1.215 -2.856 -14.299 351 HH12 ARG 41 2HH1 ARG 41 2.432 -3.238 -15.471 352 HH21 ARG 41 1HH2 ARG 41 4.191 -5.402 -13.362 353 HH22 ARG 41 2HH2 ARG 41 4.124 -4.687 -14.937 354 H LEU 42 H LEU 42 2.626 -2.558 -7.345 355 HA LEU 42 HA LEU 42 4.862 -4.304 -7.919 356 HB2 LEU 42 1HB LEU 42 4.569 -1.502 -6.912 357 HB3 LEU 42 2HB LEU 42 6.115 -2.338 -6.781 358 HG LEU 42 HG LEU 42 6.090 -2.642 -9.252 359 HD11 LEU 42 1HD1 LEU 42 3.564 -1.060 -8.962 360 HD12 LEU 42 2HD1 LEU 42 3.858 -2.528 -9.892 361 HD13 LEU 42 3HD1 LEU 42 4.522 -0.989 -10.442 362 HD21 LEU 42 3HD2 LEU 42 5.812 0.278 -8.706 363 HD22 LEU 42 1HD2 LEU 42 7.027 -0.580 -9.653 364 HD23 LEU 42 2HD2 LEU 42 7.079 -0.639 -7.891 365 H LEU 43 H LEU 43 3.164 -3.050 -5.098 366 HA LEU 43 HA LEU 43 4.967 -4.073 -3.163 367 HB2 LEU 43 1HB LEU 43 2.819 -2.398 -3.112 368 HB3 LEU 43 2HB LEU 43 2.151 -3.850 -2.370 369 HG LEU 43 HG LEU 43 2.882 -2.572 -0.565 370 HD11 LEU 43 1HD1 LEU 43 5.202 -4.388 -1.203 371 HD12 LEU 43 2HD1 LEU 43 3.677 -4.898 -0.481 372 HD13 LEU 43 3HD1 LEU 43 4.737 -3.794 0.392 373 HD21 LEU 43 3HD2 LEU 43 5.284 -1.934 -2.256 374 HD22 LEU 43 1HD2 LEU 43 5.237 -1.622 -0.521 375 HD23 LEU 43 2HD2 LEU 43 4.082 -0.827 -1.592 376 H ALA 44 H ALA 44 2.779 -5.599 -5.215 377 HA ALA 44 HA ALA 44 2.143 -7.800 -3.445 378 HB1 ALA 44 3HB ALA 44 1.485 -7.132 -6.287 379 HB2 ALA 44 1HB ALA 44 1.206 -8.756 -5.658 380 HB3 ALA 44 2HB ALA 44 0.402 -7.372 -4.916 381 H LYS 45 H LYS 45 4.967 -7.180 -4.128 382 HA LYS 45 HA LYS 45 5.993 -9.082 -5.933 383 HB2 LYS 45 1HB LYS 45 7.037 -7.030 -4.401 384 HB3 LYS 45 2HB LYS 45 7.761 -8.467 -3.691 385 HG2 LYS 45 1HG LYS 45 9.312 -8.157 -5.279 386 HG3 LYS 45 2HG LYS 45 8.140 -8.983 -6.309 387 HD2 LYS 45 1HD LYS 45 8.622 -7.109 -7.565 388 HD3 LYS 45 2HD LYS 45 7.193 -6.578 -6.675 389 HE2 LYS 45 1HE LYS 45 8.743 -4.806 -6.522 390 HE3 LYS 45 2HE LYS 45 8.787 -5.618 -4.958 391 HZ1 LYS 45 3HZ LYS 45 10.694 -6.442 -7.030 392 HZ2 LYS 45 1HZ LYS 45 10.862 -6.456 -5.346 393 HZ3 LYS 45 2HZ LYS 45 10.979 -4.999 -6.196 394 H GLU 46 H GLU 46 4.765 -9.386 -2.746 395 HA GLU 46 HA GLU 46 5.846 -12.124 -2.574 396 HB2 GLU 46 1HB GLU 46 5.585 -11.950 -0.133 397 HB3 GLU 46 2HB GLU 46 6.682 -10.729 -0.764 398 HG2 GLU 46 1HG GLU 46 5.271 -9.008 -0.283 399 HG3 GLU 46 2HG GLU 46 3.824 -10.000 -0.446 400 H GLY 47 H GLY 47 3.377 -11.079 -3.902 401 HA2 GLY 47 1HA GLY 47 1.240 -11.858 -4.232 402 HA3 GLY 47 2HA GLY 47 1.626 -13.166 -3.123 403 H VAL 48 H VAL 48 1.507 -9.658 -2.585 404 HA VAL 48 HA VAL 48 0.284 -9.843 -0.075 405 HB VAL 48 HB VAL 48 0.251 -7.530 -2.020 406 HG11 VAL 48 1HG1 VAL 48 -0.496 -7.710 0.888 407 HG12 VAL 48 2HG1 VAL 48 -0.091 -6.186 0.096 408 HG13 VAL 48 3HG1 VAL 48 -1.477 -7.128 -0.456 409 HG21 VAL 48 3HG2 VAL 48 2.121 -6.681 -0.692 410 HG22 VAL 48 1HG2 VAL 48 2.077 -8.137 0.304 411 HG23 VAL 48 2HG2 VAL 48 2.503 -8.249 -1.404 412 H VAL 49 H VAL 49 -1.823 -9.597 0.627 413 HA VAL 49 HA VAL 49 -3.855 -10.686 -0.987 414 HB VAL 49 HB VAL 49 -5.407 -9.979 0.828 415 HG11 VAL 49 1HG1 VAL 49 -3.564 -11.122 2.604 416 HG12 VAL 49 2HG1 VAL 49 -4.791 -11.952 1.645 417 HG13 VAL 49 3HG1 VAL 49 -3.157 -11.756 1.009 418 HG21 VAL 49 3HG2 VAL 49 -4.142 -7.878 1.365 419 HG22 VAL 49 1HG2 VAL 49 -4.617 -8.839 2.765 420 HG23 VAL 49 2HG2 VAL 49 -2.952 -8.885 2.188 421 H GLU 50 H GLU 50 -6.067 -9.485 -1.133 422 HA GLU 50 HA GLU 50 -5.966 -7.586 -3.093 423 HB2 GLU 50 1HB GLU 50 -8.293 -6.889 -2.194 424 HB3 GLU 50 2HB GLU 50 -8.063 -8.535 -2.766 425 HG2 GLU 50 1HG GLU 50 -7.502 -8.189 0.077 426 HG3 GLU 50 2HG GLU 50 -9.165 -7.823 -0.376 427 HA PRO 51 HA PRO 51 -4.854 -3.705 -1.378 428 HB2 PRO 51 1HB PRO 51 -6.470 -1.996 -2.735 429 HB3 PRO 51 2HB PRO 51 -5.096 -2.819 -3.485 430 HG2 PRO 51 1HG PRO 51 -8.007 -3.514 -3.584 431 HG3 PRO 51 2HG PRO 51 -6.809 -3.523 -4.892 432 HD2 PRO 51 1HD PRO 51 -7.589 -5.781 -3.617 433 HD3 PRO 51 2HD PRO 51 -5.949 -5.566 -4.261 434 H GLU 52 H GLU 52 -8.108 -4.817 -1.117 435 HA GLU 52 HA GLU 52 -9.395 -2.771 0.211 436 HB2 GLU 52 1HB GLU 52 -9.636 -5.729 0.199 437 HB3 GLU 52 2HB GLU 52 -10.429 -4.877 1.517 438 HG2 GLU 52 1HG GLU 52 -10.853 -4.102 -1.346 439 HG3 GLU 52 2HG GLU 52 -11.797 -5.373 -0.571 440 H VAL 53 H VAL 53 -7.029 -5.054 1.436 441 HA VAL 53 HA VAL 53 -7.341 -4.126 4.169 442 HB VAL 53 HB VAL 53 -5.238 -6.001 3.085 443 HG11 VAL 53 1HG1 VAL 53 -4.603 -5.224 5.223 444 HG12 VAL 53 2HG1 VAL 53 -6.247 -5.369 5.848 445 HG13 VAL 53 3HG1 VAL 53 -5.312 -6.818 5.479 446 HG21 VAL 53 3HG2 VAL 53 -8.095 -6.403 3.554 447 HG22 VAL 53 1HG2 VAL 53 -6.944 -7.383 2.644 448 HG23 VAL 53 2HG2 VAL 53 -7.068 -7.563 4.395 449 H VAL 54 H VAL 54 -4.885 -4.017 1.608 450 HA VAL 54 HA VAL 54 -2.840 -2.733 2.937 451 HB VAL 54 HB VAL 54 -3.676 -2.224 0.078 452 HG11 VAL 54 1HG1 VAL 54 -2.063 -0.594 0.900 453 HG12 VAL 54 2HG1 VAL 54 -1.007 -1.898 1.446 454 HG13 VAL 54 3HG1 VAL 54 -1.316 -1.675 -0.276 455 HG21 VAL 54 3HG2 VAL 54 -3.390 -4.501 0.076 456 HG22 VAL 54 1HG2 VAL 54 -1.736 -3.970 -0.226 457 HG23 VAL 54 2HG2 VAL 54 -2.221 -4.466 1.396 458 H ARG 55 H ARG 55 -5.857 -1.425 1.771 459 HA ARG 55 HA ARG 55 -5.255 1.296 1.740 460 HB2 ARG 55 1HB ARG 55 -7.338 0.520 0.836 461 HB3 ARG 55 2HB ARG 55 -7.827 -0.144 2.389 462 HG2 ARG 55 1HG ARG 55 -8.507 1.855 3.185 463 HG3 ARG 55 2HG ARG 55 -7.245 2.747 2.332 464 HD2 ARG 55 1HD ARG 55 -8.483 2.926 0.410 465 HD3 ARG 55 2HD ARG 55 -9.402 1.458 0.738 466 HE ARG 55 HE ARG 55 -10.129 4.104 1.448 467 HH11 ARG 55 1HH1 ARG 55 -10.251 0.815 2.580 468 HH12 ARG 55 2HH1 ARG 55 -11.674 1.061 3.540 469 HH21 ARG 55 1HH2 ARG 55 -12.002 4.441 2.707 470 HH22 ARG 55 2HH2 ARG 55 -12.668 3.124 3.610 471 H GLN 56 H GLN 56 -6.246 -0.796 4.412 472 HA GLN 56 HA GLN 56 -6.223 1.398 6.298 473 HB2 GLN 56 1HB GLN 56 -7.870 -0.376 6.571 474 HB3 GLN 56 2HB GLN 56 -6.590 -1.574 6.703 475 HG2 GLN 56 1HG GLN 56 -7.624 -0.912 8.865 476 HG3 GLN 56 2HG GLN 56 -5.875 -0.704 8.792 477 HE21 GLN 56 2HE2 GLN 56 -5.264 1.051 9.814 478 HE22 GLN 56 1HE2 GLN 56 -6.092 2.567 9.831 479 H ILE 57 H ILE 57 -4.217 -1.380 5.477 480 HA ILE 57 HA ILE 57 -2.429 -1.308 7.608 481 HB ILE 57 HB ILE 57 -1.857 -2.042 4.735 482 HG12 ILE 57 1HG1 ILE 57 -3.688 -3.335 5.791 483 HG13 ILE 57 2HG1 ILE 57 -2.280 -4.332 5.438 484 HG21 ILE 57 1HG2 ILE 57 0.236 -1.718 5.748 485 HG22 ILE 57 2HG2 ILE 57 -0.293 -2.443 7.265 486 HG23 ILE 57 3HG2 ILE 57 -0.053 -3.456 5.843 487 HD11 ILE 57 3HD1 ILE 57 -3.284 -4.831 7.619 488 HD12 ILE 57 1HD1 ILE 57 -1.615 -4.274 7.755 489 HD13 ILE 57 2HD1 ILE 57 -2.944 -3.178 8.135 490 H ALA 58 H ALA 58 -2.296 0.406 4.500 491 HA ALA 58 HA ALA 58 0.174 1.680 4.915 492 HB1 ALA 58 3HB ALA 58 -0.341 1.954 2.746 493 HB2 ALA 58 1HB ALA 58 -2.078 1.952 3.052 494 HB3 ALA 58 2HB ALA 58 -1.139 3.425 3.304 495 H ILE 59 H ILE 59 -2.920 2.249 6.274 496 HA ILE 59 HA ILE 59 -2.399 5.011 6.967 497 HB ILE 59 HB ILE 59 -4.637 3.169 7.817 498 HG12 ILE 59 1HG1 ILE 59 -4.787 5.486 5.893 499 HG13 ILE 59 2HG1 ILE 59 -4.419 3.851 5.354 500 HG21 ILE 59 1HG2 ILE 59 -5.445 5.822 8.078 501 HG22 ILE 59 2HG2 ILE 59 -5.084 4.686 9.378 502 HG23 ILE 59 3HG2 ILE 59 -3.825 5.765 8.774 503 HD11 ILE 59 3HD1 ILE 59 -6.620 3.312 6.721 504 HD12 ILE 59 1HD1 ILE 59 -6.959 5.000 6.342 505 HD13 ILE 59 2HD1 ILE 59 -6.661 3.847 5.041 506 H THR 60 H THR 60 -2.551 1.881 8.616 507 HA THR 60 HA THR 60 -1.783 3.067 11.150 508 HB THR 60 HB THR 60 -3.364 1.251 11.260 509 HG1 THR 60 HG1 THR 60 -2.240 -0.056 12.739 510 HG21 THR 60 3HG2 THR 60 -1.300 -0.228 9.658 511 HG22 THR 60 1HG2 THR 60 -3.020 -0.025 9.328 512 HG23 THR 60 2HG2 THR 60 -2.491 -1.088 10.632 513 H ARG 61 H ARG 61 -0.152 2.238 8.421 514 HA ARG 61 HA ARG 61 2.277 1.505 9.921 515 HB2 ARG 61 1HB ARG 61 1.515 0.841 7.072 516 HB3 ARG 61 2HB ARG 61 3.085 0.502 7.786 517 HG2 ARG 61 1HG ARG 61 0.489 -0.589 8.845 518 HG3 ARG 61 2HG ARG 61 1.538 -1.444 7.712 519 HD2 ARG 61 1HD ARG 61 3.382 -1.009 9.480 520 HD3 ARG 61 2HD ARG 61 2.031 -0.724 10.576 521 HE ARG 61 HE ARG 61 1.571 -3.144 9.274 522 HH11 ARG 61 1HH1 ARG 61 3.846 -1.763 11.519 523 HH12 ARG 61 2HH1 ARG 61 4.196 -3.273 12.295 524 HH21 ARG 61 1HH2 ARG 61 2.023 -5.138 10.287 525 HH22 ARG 61 2HH2 ARG 61 3.158 -5.192 11.593 526 H LEU 62 H LEU 62 1.151 3.216 7.008 527 HA LEU 62 HA LEU 62 3.569 4.869 7.081 528 HB2 LEU 62 1HB LEU 62 1.464 5.011 4.958 529 HB3 LEU 62 2HB LEU 62 3.177 5.412 4.851 530 HG LEU 62 HG LEU 62 1.954 2.657 4.942 531 HD11 LEU 62 1HD1 LEU 62 1.925 2.851 2.736 532 HD12 LEU 62 2HD1 LEU 62 3.680 3.013 2.758 533 HD13 LEU 62 3HD1 LEU 62 2.662 4.451 2.826 534 HD21 LEU 62 3HD2 LEU 62 4.491 2.132 4.429 535 HD22 LEU 62 1HD2 LEU 62 3.887 2.240 6.083 536 HD23 LEU 62 2HD2 LEU 62 4.740 3.608 5.364 537 H LYS 63 H LYS 63 0.966 5.019 8.761 538 HA LYS 63 HA LYS 63 -0.394 6.620 9.647 539 HB2 LYS 63 1HB LYS 63 2.123 8.104 8.974 540 HB3 LYS 63 2HB LYS 63 0.748 8.970 9.644 541 HG2 LYS 63 1HG LYS 63 0.771 7.481 11.592 542 HG3 LYS 63 2HG LYS 63 2.177 6.649 10.924 543 HD2 LYS 63 1HD LYS 63 2.969 9.264 10.847 544 HD3 LYS 63 2HD LYS 63 1.992 9.219 12.316 545 HE2 LYS 63 1HE LYS 63 3.325 7.186 12.992 546 HE3 LYS 63 2HE LYS 63 4.397 7.538 11.637 547 HZ1 LYS 63 3HZ LYS 63 4.710 8.511 14.118 548 HZ2 LYS 63 1HZ LYS 63 3.880 9.786 13.376 549 HZ3 LYS 63 2HZ LYS 63 5.340 9.234 12.724 550 H TRP 64 H TRP 64 -0.707 6.029 6.794 551 HA TRP 64 HA TRP 64 -1.194 8.400 5.336 552 HB2 TRP 64 1HB TRP 64 -0.914 6.101 4.357 553 HB3 TRP 64 2HB TRP 64 -2.534 5.721 4.934 554 HD1 TRP 64 HD1 TRP 64 -1.188 8.801 2.973 555 HE1 TRP 64 HE1 TRP 64 -2.700 9.145 0.919 556 HE3 TRP 64 HE3 TRP 64 -4.341 4.828 3.614 557 HZ2 TRP 64 HZ2 TRP 64 -4.934 7.896 -0.272 558 HZ3 TRP 64 HZ3 TRP 64 -6.140 4.474 1.972 559 HH2 TRP 64 HH2 TRP 64 -6.429 5.977 0.070 560 H VAL 65 H VAL 65 -3.299 9.204 4.634 561 HA VAL 65 HA VAL 65 -5.571 8.614 6.350 562 HB VAL 65 HB VAL 65 -5.917 11.095 6.773 563 HG11 VAL 65 1HG1 VAL 65 -4.514 11.093 8.765 564 HG12 VAL 65 2HG1 VAL 65 -5.256 9.510 8.521 565 HG13 VAL 65 3HG1 VAL 65 -3.560 9.765 8.106 566 HG21 VAL 65 3HG2 VAL 65 -4.333 12.002 5.202 567 HG22 VAL 65 1HG2 VAL 65 -3.844 12.457 6.834 568 HG23 VAL 65 2HG2 VAL 65 -3.004 11.154 5.992 569 H GLU 66 H GLU 66 -7.298 8.477 5.090 570 HA GLU 66 HA GLU 66 -7.379 9.017 2.387 571 HB2 GLU 66 1HB GLU 66 -9.919 9.060 2.721 572 HB3 GLU 66 2HB GLU 66 -9.061 7.608 3.219 573 HG2 GLU 66 1HG GLU 66 -9.376 9.639 5.311 574 HG3 GLU 66 2HG GLU 66 -10.876 8.918 4.732 575 HA PRO 67 HA PRO 67 -7.916 13.337 1.848 576 HB2 PRO 67 1HB PRO 67 -9.592 13.419 -0.286 577 HB3 PRO 67 2HB PRO 67 -7.894 12.945 -0.416 578 HG2 PRO 67 1HG PRO 67 -10.337 11.220 -0.273 579 HG3 PRO 67 2HG PRO 67 -8.912 11.057 -1.316 580 HD2 PRO 67 1HD PRO 67 -9.256 9.576 0.924 581 HD3 PRO 67 2HD PRO 67 -7.653 10.074 0.346 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -16.967 -19.828 5.643 2 HA2 GLY 1 1HA GLY 1 -17.666 -21.480 7.118 3 HA3 GLY 1 2HA GLY 1 -16.772 -22.483 5.987 4 HA PRO 2 HA PRO 2 -14.970 -22.895 10.285 5 HB2 PRO 2 1HB PRO 2 -15.224 -25.595 10.431 6 HB3 PRO 2 2HB PRO 2 -16.499 -24.481 10.939 7 HG2 PRO 2 1HG PRO 2 -16.219 -25.997 8.372 8 HG3 PRO 2 2HG PRO 2 -17.664 -25.743 9.370 9 HD2 PRO 2 1HD PRO 2 -17.168 -24.307 7.128 10 HD3 PRO 2 2HD PRO 2 -18.026 -23.628 8.526 11 H LEU 3 H LEU 3 -14.591 -24.906 7.388 12 HA LEU 3 HA LEU 3 -11.687 -24.717 7.702 13 HB2 LEU 3 1HB LEU 3 -12.698 -26.920 8.598 14 HB3 LEU 3 2HB LEU 3 -12.940 -27.318 6.898 15 HG LEU 3 HG LEU 3 -10.214 -26.498 7.747 16 HD11 LEU 3 1HD1 LEU 3 -11.110 -28.095 9.493 17 HD12 LEU 3 2HD1 LEU 3 -9.644 -28.598 8.653 18 HD13 LEU 3 3HD1 LEU 3 -11.200 -29.300 8.208 19 HD21 LEU 3 3HD2 LEU 3 -9.727 -27.296 5.735 20 HD22 LEU 3 1HD2 LEU 3 -11.444 -27.600 5.472 21 HD23 LEU 3 2HD2 LEU 3 -10.418 -28.866 6.149 22 H GLY 4 H GLY 4 -10.865 -23.917 5.893 23 HA2 GLY 4 1HA GLY 4 -11.395 -24.985 3.326 24 HA3 GLY 4 2HA GLY 4 -12.293 -23.490 3.537 25 H SER 5 H SER 5 -10.411 -22.098 5.117 26 HA SER 5 HA SER 5 -8.553 -21.331 3.025 27 HB2 SER 5 1HB SER 5 -9.967 -19.820 4.721 28 HB3 SER 5 2HB SER 5 -8.501 -19.996 5.685 29 HG SER 5 HG SER 5 -8.721 -18.959 3.054 30 H VAL 6 H VAL 6 -6.346 -20.456 4.162 31 HA VAL 6 HA VAL 6 -5.264 -22.637 5.808 32 HB VAL 6 HB VAL 6 -3.141 -22.477 4.428 33 HG11 VAL 6 1HG1 VAL 6 -5.161 -23.528 2.572 34 HG12 VAL 6 2HG1 VAL 6 -3.781 -24.330 3.326 35 HG13 VAL 6 3HG1 VAL 6 -5.283 -24.125 4.227 36 HG21 VAL 6 3HG2 VAL 6 -3.140 -21.497 2.316 37 HG22 VAL 6 1HG2 VAL 6 -4.900 -21.416 2.246 38 HG23 VAL 6 2HG2 VAL 6 -4.008 -20.322 3.304 39 H ALA 7 H ALA 7 -3.469 -22.083 7.096 40 HA ALA 7 HA ALA 7 -3.501 -19.540 8.229 41 HB1 ALA 7 3HB ALA 7 -1.083 -21.315 8.320 42 HB2 ALA 7 1HB ALA 7 -1.708 -20.229 9.562 43 HB3 ALA 7 2HB ALA 7 -2.567 -21.722 9.182 44 H LYS 8 H LYS 8 -3.160 -17.779 6.993 45 HA LYS 8 HA LYS 8 -0.498 -17.467 5.823 46 HB2 LYS 8 1HB LYS 8 -3.041 -17.529 4.341 47 HB3 LYS 8 2HB LYS 8 -2.017 -16.148 3.975 48 HG2 LYS 8 1HG LYS 8 -0.145 -17.797 3.589 49 HG3 LYS 8 2HG LYS 8 -1.371 -19.065 3.665 50 HD2 LYS 8 1HD LYS 8 -2.439 -18.312 1.729 51 HD3 LYS 8 2HD LYS 8 -1.684 -16.719 1.822 52 HE2 LYS 8 1HE LYS 8 0.185 -17.407 0.770 53 HE3 LYS 8 2HE LYS 8 0.190 -18.970 1.583 54 HZ1 LYS 8 3HZ LYS 8 -0.610 -19.874 -0.256 55 HZ2 LYS 8 1HZ LYS 8 -0.652 -18.366 -1.022 56 HZ3 LYS 8 2HZ LYS 8 -1.996 -18.911 -0.152 57 H LYS 9 H LYS 9 0.205 -15.914 7.180 58 HA LYS 9 HA LYS 9 -1.410 -13.455 7.361 59 HB2 LYS 9 1HB LYS 9 -1.150 -14.842 9.500 60 HB3 LYS 9 2HB LYS 9 0.538 -14.352 9.476 61 HG2 LYS 9 1HG LYS 9 -0.413 -11.950 9.328 62 HG3 LYS 9 2HG LYS 9 -1.905 -12.691 9.914 63 HD2 LYS 9 1HD LYS 9 -0.720 -13.557 11.863 64 HD3 LYS 9 2HD LYS 9 0.788 -12.858 11.269 65 HE2 LYS 9 1HE LYS 9 0.280 -10.856 12.107 66 HE3 LYS 9 2HE LYS 9 -1.325 -10.886 11.378 67 HZ1 LYS 9 3HZ LYS 9 -0.724 -11.097 14.052 68 HZ2 LYS 9 1HZ LYS 9 -1.173 -12.661 13.590 69 HZ3 LYS 9 2HZ LYS 9 -2.228 -11.367 13.329 70 H ILE 10 H ILE 10 -0.398 -11.536 6.990 71 HA ILE 10 HA ILE 10 2.385 -11.703 6.059 72 HB ILE 10 HB ILE 10 0.289 -9.611 5.462 73 HG12 ILE 10 1HG1 ILE 10 1.469 -11.808 3.748 74 HG13 ILE 10 2HG1 ILE 10 -0.179 -11.743 4.363 75 HG21 ILE 10 1HG2 ILE 10 1.908 -8.740 3.842 76 HG22 ILE 10 2HG2 ILE 10 2.530 -8.662 5.490 77 HG23 ILE 10 3HG2 ILE 10 3.092 -9.924 4.394 78 HD11 ILE 10 3HD1 ILE 10 -0.098 -11.115 2.029 79 HD12 ILE 10 1HD1 ILE 10 -0.592 -9.743 3.021 80 HD13 ILE 10 2HD1 ILE 10 1.054 -9.831 2.395 81 H THR 11 H THR 11 3.966 -10.491 6.950 82 HA THR 11 HA THR 11 3.205 -8.752 9.205 83 HB THR 11 HB THR 11 5.914 -10.027 8.866 84 HG1 THR 11 HG1 THR 11 3.770 -11.058 10.432 85 HG21 THR 11 3HG2 THR 11 5.426 -8.055 10.454 86 HG22 THR 11 1HG2 THR 11 6.273 -9.458 11.104 87 HG23 THR 11 2HG2 THR 11 4.551 -9.240 11.422 88 H TRP 12 H TRP 12 3.190 -6.724 8.421 89 HA TRP 12 HA TRP 12 4.987 -5.810 6.399 90 HB2 TRP 12 1HB TRP 12 3.099 -4.318 8.231 91 HB3 TRP 12 2HB TRP 12 4.011 -3.562 6.927 92 HD1 TRP 12 HD1 TRP 12 1.020 -5.844 7.560 93 HE1 TRP 12 HE1 TRP 12 -0.328 -6.068 5.379 94 HE3 TRP 12 HE3 TRP 12 4.249 -3.499 4.365 95 HZ2 TRP 12 HZ2 TRP 12 -0.057 -5.347 2.664 96 HZ3 TRP 12 HZ3 TRP 12 3.630 -3.308 1.991 97 HH2 TRP 12 HH2 TRP 12 1.521 -4.214 1.160 98 H ARG 13 H ARG 13 7.103 -5.798 6.915 99 HA ARG 13 HA ARG 13 8.037 -5.002 9.518 100 HB2 ARG 13 1HB ARG 13 9.674 -5.446 7.019 101 HB3 ARG 13 2HB ARG 13 10.243 -5.471 8.683 102 HG2 ARG 13 1HG ARG 13 8.978 -7.484 9.123 103 HG3 ARG 13 2HG ARG 13 8.296 -7.437 7.495 104 HD2 ARG 13 1HD ARG 13 10.086 -8.447 6.638 105 HD3 ARG 13 2HD ARG 13 11.177 -7.304 7.419 106 HE ARG 13 HE ARG 13 10.521 -9.950 8.308 107 HH11 ARG 13 1HH1 ARG 13 11.577 -6.789 9.314 108 HH12 ARG 13 2HH1 ARG 13 12.364 -7.366 10.747 109 HH21 ARG 13 1HH2 ARG 13 11.553 -10.720 10.191 110 HH22 ARG 13 2HH2 ARG 13 12.350 -9.602 11.243 111 H LYS 14 H LYS 14 10.078 -3.440 9.398 112 HA LYS 14 HA LYS 14 9.036 -0.865 8.830 113 HB2 LYS 14 1HB LYS 14 10.694 -1.412 10.636 114 HB3 LYS 14 2HB LYS 14 11.916 -1.591 9.384 115 HG2 LYS 14 1HG LYS 14 11.640 0.735 8.748 116 HG3 LYS 14 2HG LYS 14 10.359 0.925 9.947 117 HD2 LYS 14 1HD LYS 14 11.815 1.011 11.683 118 HD3 LYS 14 2HD LYS 14 12.936 -0.130 10.937 119 HE2 LYS 14 1HE LYS 14 12.592 2.633 9.830 120 HE3 LYS 14 2HE LYS 14 13.650 2.341 11.209 121 HZ1 LYS 14 3HZ LYS 14 13.953 1.503 8.422 122 HZ2 LYS 14 1HZ LYS 14 14.556 0.473 9.623 123 HZ3 LYS 14 2HZ LYS 14 15.117 2.064 9.514 124 H GLN 15 H GLN 15 11.236 -3.018 7.142 125 HA GLN 15 HA GLN 15 12.019 -1.068 5.189 126 HB2 GLN 15 1HB GLN 15 12.257 -4.040 4.822 127 HB3 GLN 15 2HB GLN 15 13.304 -2.769 4.205 128 HG2 GLN 15 1HG GLN 15 13.501 -2.449 6.921 129 HG3 GLN 15 2HG GLN 15 13.384 -4.197 6.737 130 HE21 GLN 15 2HE2 GLN 15 15.383 -1.484 6.525 131 HE22 GLN 15 1HE2 GLN 15 16.773 -2.254 5.845 132 H ASP 16 H ASP 16 9.735 -3.766 5.300 133 HA ASP 16 HA ASP 16 8.933 -3.854 2.660 134 HB2 ASP 16 1HB ASP 16 7.567 -4.444 5.252 135 HB3 ASP 16 2HB ASP 16 6.608 -4.436 3.775 136 H LEU 17 H LEU 17 7.936 -1.625 5.201 137 HA LEU 17 HA LEU 17 5.976 -0.327 3.530 138 HB2 LEU 17 1HB LEU 17 7.115 0.380 6.229 139 HB3 LEU 17 2HB LEU 17 5.834 1.286 5.425 140 HG LEU 17 HG LEU 17 5.479 -1.631 5.990 141 HD11 LEU 17 1HD1 LEU 17 6.239 -0.396 8.073 142 HD12 LEU 17 2HD1 LEU 17 4.692 -1.236 8.169 143 HD13 LEU 17 3HD1 LEU 17 4.733 0.513 7.956 144 HD21 LEU 17 3HD2 LEU 17 3.901 -0.348 4.542 145 HD22 LEU 17 1HD2 LEU 17 3.517 0.653 5.942 146 HD23 LEU 17 2HD2 LEU 17 3.156 -1.073 5.967 147 H ASP 18 H ASP 18 9.328 0.078 4.325 148 HA ASP 18 HA ASP 18 9.759 2.752 3.775 149 HB2 ASP 18 1HB ASP 18 11.451 1.052 4.590 150 HB3 ASP 18 2HB ASP 18 11.620 0.534 2.915 151 H ARG 19 H ARG 19 9.496 0.039 1.521 152 HA ARG 19 HA ARG 19 9.975 1.715 -0.780 153 HB2 ARG 19 1HB ARG 19 10.721 -0.588 -0.850 154 HB3 ARG 19 2HB ARG 19 9.090 -1.164 -0.532 155 HG2 ARG 19 1HG ARG 19 8.339 -0.366 -2.675 156 HG3 ARG 19 2HG ARG 19 9.911 0.370 -2.987 157 HD2 ARG 19 1HD ARG 19 9.414 -2.579 -2.592 158 HD3 ARG 19 2HD ARG 19 9.616 -1.783 -4.152 159 HE ARG 19 HE ARG 19 11.684 -2.468 -2.270 160 HH11 ARG 19 1HH1 ARG 19 10.787 -0.416 -4.936 161 HH12 ARG 19 2HH1 ARG 19 12.421 -0.117 -5.425 162 HH21 ARG 19 1HH2 ARG 19 13.841 -2.080 -2.904 163 HH22 ARG 19 2HH2 ARG 19 14.158 -1.064 -4.269 164 H LEU 20 H LEU 20 7.200 0.075 0.693 165 HA LEU 20 HA LEU 20 5.262 0.615 -1.202 166 HB2 LEU 20 1HB LEU 20 4.944 -0.799 0.787 167 HB3 LEU 20 2HB LEU 20 4.924 0.647 1.794 168 HG LEU 20 HG LEU 20 2.910 1.320 0.257 169 HD11 LEU 20 1HD1 LEU 20 2.972 -1.681 -0.014 170 HD12 LEU 20 2HD1 LEU 20 3.087 -0.497 -1.316 171 HD13 LEU 20 3HD1 LEU 20 1.588 -0.658 -0.402 172 HD21 LEU 20 3HD2 LEU 20 1.478 -0.250 1.834 173 HD22 LEU 20 1HD2 LEU 20 2.354 1.146 2.461 174 HD23 LEU 20 2HD2 LEU 20 3.040 -0.471 2.624 175 H LYS 21 H LYS 21 6.749 2.752 1.106 176 HA LYS 21 HA LYS 21 4.838 4.829 1.051 177 HB2 LYS 21 1HB LYS 21 6.783 4.505 2.681 178 HB3 LYS 21 2HB LYS 21 7.800 5.226 1.440 179 HG2 LYS 21 1HG LYS 21 6.574 7.279 1.538 180 HG3 LYS 21 2HG LYS 21 5.377 6.565 2.622 181 HD2 LYS 21 1HD LYS 21 6.926 6.435 4.400 182 HD3 LYS 21 2HD LYS 21 8.297 6.741 3.331 183 HE2 LYS 21 1HE LYS 21 8.051 8.957 3.491 184 HE3 LYS 21 2HE LYS 21 6.308 8.862 3.245 185 HZ1 LYS 21 3HZ LYS 21 7.670 8.301 5.822 186 HZ2 LYS 21 1HZ LYS 21 6.001 8.372 5.556 187 HZ3 LYS 21 2HZ LYS 21 6.939 9.774 5.428 188 H ARG 22 H ARG 22 7.880 4.407 -0.753 189 HA ARG 22 HA ARG 22 7.759 6.726 -2.277 190 HB2 ARG 22 1HB ARG 22 9.022 4.044 -2.685 191 HB3 ARG 22 2HB ARG 22 9.035 5.210 -4.001 192 HG2 ARG 22 1HG ARG 22 11.020 5.710 -3.010 193 HG3 ARG 22 2HG ARG 22 9.960 6.810 -2.128 194 HD2 ARG 22 1HD ARG 22 9.835 5.301 -0.272 195 HD3 ARG 22 2HD ARG 22 10.691 4.049 -1.171 196 HE ARG 22 HE ARG 22 12.669 5.063 -0.627 197 HH11 ARG 22 1HH1 ARG 22 10.053 7.289 -0.054 198 HH12 ARG 22 2HH1 ARG 22 11.056 8.471 0.720 199 HH21 ARG 22 1HH2 ARG 22 13.999 6.612 0.390 200 HH22 ARG 22 2HH2 ARG 22 13.300 8.086 0.970 201 H VAL 23 H VAL 23 5.959 3.780 -2.554 202 HA VAL 23 HA VAL 23 5.123 4.141 -5.264 203 HB VAL 23 HB VAL 23 3.738 2.507 -3.136 204 HG11 VAL 23 1HG1 VAL 23 2.971 1.171 -5.045 205 HG12 VAL 23 2HG1 VAL 23 2.431 2.846 -5.160 206 HG13 VAL 23 3HG1 VAL 23 3.783 2.285 -6.144 207 HG21 VAL 23 3HG2 VAL 23 6.157 1.914 -4.808 208 HG22 VAL 23 1HG2 VAL 23 5.920 1.685 -3.075 209 HG23 VAL 23 2HG2 VAL 23 5.108 0.621 -4.223 210 H ILE 24 H ILE 24 3.557 4.674 -2.113 211 HA ILE 24 HA ILE 24 1.136 5.681 -3.133 212 HB ILE 24 HB ILE 24 2.439 6.272 -0.473 213 HG12 ILE 24 1HG1 ILE 24 0.405 4.175 -1.264 214 HG13 ILE 24 2HG1 ILE 24 2.092 3.872 -0.859 215 HG21 ILE 24 1HG2 ILE 24 -0.429 6.580 -1.354 216 HG22 ILE 24 2HG2 ILE 24 0.180 6.830 0.282 217 HG23 ILE 24 3HG2 ILE 24 0.704 7.891 -1.025 218 HD11 ILE 24 3HD1 ILE 24 0.971 3.318 1.081 219 HD12 ILE 24 1HD1 ILE 24 1.508 4.968 1.397 220 HD13 ILE 24 2HD1 ILE 24 -0.164 4.659 0.930 221 H ALA 25 H ALA 25 4.247 7.136 -2.665 222 HA ALA 25 HA ALA 25 3.286 9.851 -2.820 223 HB1 ALA 25 3HB ALA 25 6.144 9.191 -3.295 224 HB2 ALA 25 1HB ALA 25 5.424 10.503 -2.363 225 HB3 ALA 25 2HB ALA 25 5.468 8.871 -1.698 226 H LEU 26 H LEU 26 4.359 7.399 -5.021 227 HA LEU 26 HA LEU 26 4.768 9.276 -7.200 228 HB2 LEU 26 1HB LEU 26 6.182 7.243 -6.881 229 HB3 LEU 26 2HB LEU 26 4.770 6.263 -7.272 230 HG LEU 26 HG LEU 26 4.718 7.298 -9.517 231 HD11 LEU 26 1HD1 LEU 26 6.896 8.891 -8.331 232 HD12 LEU 26 2HD1 LEU 26 5.730 9.312 -9.585 233 HD13 LEU 26 3HD1 LEU 26 7.148 8.345 -9.990 234 HD21 LEU 26 3HD2 LEU 26 7.162 6.330 -10.082 235 HD22 LEU 26 1HD2 LEU 26 5.758 5.311 -9.762 236 HD23 LEU 26 2HD2 LEU 26 6.923 5.637 -8.477 237 H LYS 27 H LYS 27 2.470 6.763 -6.246 238 HA LYS 27 HA LYS 27 0.816 7.242 -8.579 239 HB2 LYS 27 1HB LYS 27 0.388 5.455 -6.177 240 HB3 LYS 27 2HB LYS 27 -0.651 5.506 -7.595 241 HG2 LYS 27 1HG LYS 27 2.248 4.689 -7.552 242 HG3 LYS 27 2HG LYS 27 0.859 3.607 -7.682 243 HD2 LYS 27 1HD LYS 27 0.226 4.839 -9.780 244 HD3 LYS 27 2HD LYS 27 1.777 5.674 -9.675 245 HE2 LYS 27 1HE LYS 27 2.954 3.557 -9.816 246 HE3 LYS 27 2HE LYS 27 1.424 2.682 -9.825 247 HZ1 LYS 27 3HZ LYS 27 0.928 3.401 -11.952 248 HZ2 LYS 27 1HZ LYS 27 2.596 3.127 -12.044 249 HZ3 LYS 27 2HZ LYS 27 2.005 4.705 -11.889 250 H LYS 28 H LYS 28 0.579 7.669 -5.062 251 HA LYS 28 HA LYS 28 -0.780 8.953 -3.765 252 HB2 LYS 28 1HB LYS 28 -0.778 10.642 -6.272 253 HB3 LYS 28 2HB LYS 28 -1.416 11.176 -4.723 254 HG2 LYS 28 1HG LYS 28 0.831 10.841 -3.736 255 HG3 LYS 28 2HG LYS 28 1.438 10.446 -5.345 256 HD2 LYS 28 1HD LYS 28 1.949 12.707 -5.119 257 HD3 LYS 28 2HD LYS 28 0.441 12.723 -6.037 258 HE2 LYS 28 1HE LYS 28 -0.809 13.425 -4.206 259 HE3 LYS 28 2HE LYS 28 0.406 12.888 -3.047 260 HZ1 LYS 28 3HZ LYS 28 0.436 15.297 -4.757 261 HZ2 LYS 28 1HZ LYS 28 1.863 14.680 -4.090 262 HZ3 LYS 28 2HZ LYS 28 0.608 15.189 -3.077 263 HA PRO 29 HA PRO 29 -4.565 7.132 -5.777 264 HB2 PRO 29 1HB PRO 29 -5.215 5.544 -3.673 265 HB3 PRO 29 2HB PRO 29 -4.109 5.035 -4.954 266 HG2 PRO 29 1HG PRO 29 -3.487 6.099 -2.225 267 HG3 PRO 29 2HG PRO 29 -2.738 4.747 -3.097 268 HD2 PRO 29 1HD PRO 29 -1.596 7.198 -2.951 269 HD3 PRO 29 2HD PRO 29 -1.405 6.138 -4.362 270 H SER 30 H SER 30 -6.720 7.594 -5.284 271 HA SER 30 HA SER 30 -7.072 9.605 -3.177 272 HB2 SER 30 1HB SER 30 -7.695 9.906 -5.729 273 HB3 SER 30 2HB SER 30 -9.165 9.062 -5.244 274 HG SER 30 HG SER 30 -9.782 10.756 -4.131 275 H ALA 31 H ALA 31 -6.967 6.864 -2.455 276 HA ALA 31 HA ALA 31 -8.046 5.383 -1.104 277 HB1 ALA 31 3HB ALA 31 -8.736 7.507 0.036 278 HB2 ALA 31 1HB ALA 31 -10.240 7.434 -0.883 279 HB3 ALA 31 2HB ALA 31 -9.840 6.150 0.259 280 H SER 32 H SER 32 -8.296 4.082 -3.050 281 HA SER 32 HA SER 32 -10.988 3.221 -3.401 282 HB2 SER 32 1HB SER 32 -9.840 5.096 -5.361 283 HB3 SER 32 2HB SER 32 -10.537 3.638 -6.065 284 HG SER 32 HG SER 32 -12.457 4.338 -5.579 285 H ASP 33 H ASP 33 -11.023 1.127 -3.981 286 HA ASP 33 HA ASP 33 -8.750 -0.441 -3.991 287 HB2 ASP 33 1HB ASP 33 -10.152 -2.250 -4.826 288 HB3 ASP 33 2HB ASP 33 -11.037 -1.305 -3.631 289 H ALA 34 H ALA 34 -10.269 1.255 -6.629 290 HA ALA 34 HA ALA 34 -8.953 -0.119 -8.742 291 HB1 ALA 34 3HB ALA 34 -9.691 1.754 -10.142 292 HB2 ALA 34 1HB ALA 34 -10.997 1.135 -9.131 293 HB3 ALA 34 2HB ALA 34 -10.178 2.636 -8.695 294 H ASP 35 H ASP 35 -8.208 2.759 -6.846 295 HA ASP 35 HA ASP 35 -5.928 3.497 -8.407 296 HB2 ASP 35 1HB ASP 35 -6.853 4.324 -5.651 297 HB3 ASP 35 2HB ASP 35 -5.438 5.006 -6.448 298 H TRP 36 H TRP 36 -6.473 1.565 -5.528 299 HA TRP 36 HA TRP 36 -3.708 1.304 -4.850 300 HB2 TRP 36 1HB TRP 36 -6.224 -0.096 -3.979 301 HB3 TRP 36 2HB TRP 36 -4.642 -0.671 -3.460 302 HD1 TRP 36 HD1 TRP 36 -7.227 1.958 -2.732 303 HE1 TRP 36 HE1 TRP 36 -6.435 3.429 -0.774 304 HE3 TRP 36 HE3 TRP 36 -2.386 0.343 -2.409 305 HZ2 TRP 36 HZ2 TRP 36 -4.071 3.849 0.710 306 HZ3 TRP 36 HZ3 TRP 36 -0.926 1.330 -0.694 307 HH2 TRP 36 HH2 TRP 36 -1.752 3.047 0.833 308 H THR 37 H THR 37 -5.719 -0.129 -7.190 309 HA THR 37 HA THR 37 -4.763 -2.715 -7.423 310 HB THR 37 HB THR 37 -5.253 -1.087 -9.891 311 HG1 THR 37 HG1 THR 37 -7.577 -1.668 -9.350 312 HG21 THR 37 3HG2 THR 37 -4.827 -3.340 -10.383 313 HG22 THR 37 1HG2 THR 37 -6.586 -3.223 -10.400 314 HG23 THR 37 2HG2 THR 37 -5.760 -3.912 -9.001 315 H GLU 38 H GLU 38 -3.297 0.306 -8.446 316 HA GLU 38 HA GLU 38 -1.172 -0.995 -9.899 317 HB2 GLU 38 1HB GLU 38 -1.757 1.861 -9.154 318 HB3 GLU 38 2HB GLU 38 -0.224 1.401 -9.880 319 HG2 GLU 38 1HG GLU 38 -1.190 0.850 -11.901 320 HG3 GLU 38 2HG GLU 38 -2.785 0.609 -11.188 321 H VAL 39 H VAL 39 -1.328 0.995 -6.942 322 HA VAL 39 HA VAL 39 1.301 0.758 -6.130 323 HB VAL 39 HB VAL 39 -1.131 0.831 -4.339 324 HG11 VAL 39 1HG1 VAL 39 1.606 0.539 -3.711 325 HG12 VAL 39 2HG1 VAL 39 1.146 2.186 -3.280 326 HG13 VAL 39 3HG1 VAL 39 0.259 0.818 -2.608 327 HG21 VAL 39 3HG2 VAL 39 -0.624 3.291 -4.280 328 HG22 VAL 39 1HG2 VAL 39 0.493 3.021 -5.619 329 HG23 VAL 39 2HG2 VAL 39 -1.227 2.690 -5.825 330 H LEU 40 H LEU 40 -1.421 -1.406 -5.409 331 HA LEU 40 HA LEU 40 0.128 -3.205 -3.833 332 HB2 LEU 40 1HB LEU 40 -1.804 -4.354 -3.511 333 HB3 LEU 40 2HB LEU 40 -2.475 -2.805 -4.017 334 HG LEU 40 HG LEU 40 -2.371 -3.982 -6.401 335 HD11 LEU 40 1HD1 LEU 40 -2.220 -6.207 -6.431 336 HD12 LEU 40 2HD1 LEU 40 -3.267 -6.384 -5.024 337 HD13 LEU 40 3HD1 LEU 40 -1.546 -6.062 -4.808 338 HD21 LEU 40 3HD2 LEU 40 -4.488 -4.335 -4.287 339 HD22 LEU 40 1HD2 LEU 40 -4.726 -4.712 -5.993 340 HD23 LEU 40 2HD2 LEU 40 -4.376 -3.056 -5.497 341 H ARG 41 H ARG 41 -0.274 -2.740 -7.195 342 HA ARG 41 HA ARG 41 0.176 -5.376 -8.111 343 HB2 ARG 41 1HB ARG 41 -0.348 -2.905 -9.279 344 HB3 ARG 41 2HB ARG 41 1.256 -3.323 -9.864 345 HG2 ARG 41 1HG ARG 41 0.309 -5.551 -10.546 346 HG3 ARG 41 2HG ARG 41 -1.287 -4.889 -10.184 347 HD2 ARG 41 1HD ARG 41 -1.236 -3.431 -11.953 348 HD3 ARG 41 2HD ARG 41 0.525 -3.336 -11.962 349 HE ARG 41 HE ARG 41 -1.120 -5.239 -13.363 350 HH11 ARG 41 1HH1 ARG 41 2.040 -4.573 -12.063 351 HH12 ARG 41 2HH1 ARG 41 2.851 -5.678 -13.122 352 HH21 ARG 41 1HH2 ARG 41 -0.062 -6.697 -14.762 353 HH22 ARG 41 2HH2 ARG 41 1.655 -6.886 -14.658 354 H LEU 42 H LEU 42 2.428 -2.606 -8.019 355 HA LEU 42 HA LEU 42 4.734 -4.031 -8.653 356 HB2 LEU 42 1HB LEU 42 4.641 -1.649 -6.819 357 HB3 LEU 42 2HB LEU 42 5.969 -2.157 -7.860 358 HG LEU 42 HG LEU 42 3.808 -1.710 -9.579 359 HD11 LEU 42 1HD1 LEU 42 4.081 0.827 -8.102 360 HD12 LEU 42 2HD1 LEU 42 3.086 -0.414 -7.342 361 HD13 LEU 42 3HD1 LEU 42 2.698 0.155 -8.966 362 HD21 LEU 42 3HD2 LEU 42 5.196 0.058 -10.444 363 HD22 LEU 42 1HD2 LEU 42 6.217 -1.301 -9.976 364 HD23 LEU 42 2HD2 LEU 42 6.117 0.123 -8.940 365 H LEU 43 H LEU 43 3.044 -3.691 -5.625 366 HA LEU 43 HA LEU 43 5.210 -4.866 -4.095 367 HB2 LEU 43 1HB LEU 43 3.211 -3.127 -3.459 368 HB3 LEU 43 2HB LEU 43 2.571 -4.647 -2.836 369 HG LEU 43 HG LEU 43 3.651 -3.706 -1.005 370 HD11 LEU 43 1HD1 LEU 43 4.326 -6.038 -1.412 371 HD12 LEU 43 2HD1 LEU 43 5.564 -5.115 -0.561 372 HD13 LEU 43 3HD1 LEU 43 5.747 -5.457 -2.282 373 HD21 LEU 43 3HD2 LEU 43 4.766 -1.853 -1.920 374 HD22 LEU 43 1HD2 LEU 43 5.773 -2.863 -2.958 375 HD23 LEU 43 2HD2 LEU 43 6.040 -2.849 -1.214 376 H ALA 44 H ALA 44 2.634 -5.955 -5.969 377 HA ALA 44 HA ALA 44 1.706 -8.193 -4.592 378 HB1 ALA 44 3HB ALA 44 0.914 -9.005 -6.692 379 HB2 ALA 44 1HB ALA 44 0.749 -7.250 -6.697 380 HB3 ALA 44 2HB ALA 44 2.074 -8.014 -7.576 381 H LYS 45 H LYS 45 4.792 -7.575 -5.855 382 HA LYS 45 HA LYS 45 5.689 -10.071 -6.681 383 HB2 LYS 45 1HB LYS 45 7.942 -9.277 -6.100 384 HB3 LYS 45 2HB LYS 45 7.018 -8.046 -6.950 385 HG2 LYS 45 1HG LYS 45 6.747 -6.751 -5.034 386 HG3 LYS 45 2HG LYS 45 7.143 -8.093 -3.959 387 HD2 LYS 45 1HD LYS 45 9.054 -6.743 -3.925 388 HD3 LYS 45 2HD LYS 45 9.460 -8.040 -5.051 389 HE2 LYS 45 1HE LYS 45 9.759 -6.588 -6.709 390 HE3 LYS 45 2HE LYS 45 8.174 -5.868 -6.432 391 HZ1 LYS 45 3HZ LYS 45 9.038 -4.255 -5.087 392 HZ2 LYS 45 1HZ LYS 45 10.336 -4.467 -6.152 393 HZ3 LYS 45 2HZ LYS 45 10.374 -5.180 -4.618 394 H GLU 46 H GLU 46 4.945 -8.921 -3.506 395 HA GLU 46 HA GLU 46 6.172 -11.307 -2.305 396 HB2 GLU 46 1HB GLU 46 5.370 -8.636 -1.183 397 HB3 GLU 46 2HB GLU 46 5.605 -10.023 -0.130 398 HG2 GLU 46 1HG GLU 46 7.874 -10.044 -1.670 399 HG3 GLU 46 2HG GLU 46 7.560 -8.323 -1.451 400 H GLY 47 H GLY 47 3.644 -11.266 -3.823 401 HA2 GLY 47 1HA GLY 47 1.507 -12.096 -3.670 402 HA3 GLY 47 2HA GLY 47 2.129 -13.021 -2.311 403 H VAL 48 H VAL 48 1.552 -9.538 -2.775 404 HA VAL 48 HA VAL 48 0.542 -9.205 -0.142 405 HB VAL 48 HB VAL 48 0.315 -7.374 -2.536 406 HG11 VAL 48 1HG1 VAL 48 0.087 -5.643 -0.634 407 HG12 VAL 48 2HG1 VAL 48 -1.325 -6.602 -1.080 408 HG13 VAL 48 3HG1 VAL 48 -0.389 -7.023 0.354 409 HG21 VAL 48 3HG2 VAL 48 2.243 -6.254 -1.700 410 HG22 VAL 48 1HG2 VAL 48 2.232 -7.211 -0.219 411 HG23 VAL 48 2HG2 VAL 48 2.630 -7.974 -1.758 412 H VAL 49 H VAL 49 -1.545 -8.908 0.592 413 HA VAL 49 HA VAL 49 -3.589 -10.323 -0.807 414 HB VAL 49 HB VAL 49 -5.063 -9.574 1.068 415 HG11 VAL 49 1HG1 VAL 49 -3.859 -11.660 1.239 416 HG12 VAL 49 2HG1 VAL 49 -2.418 -10.818 1.813 417 HG13 VAL 49 3HG1 VAL 49 -3.873 -10.860 2.810 418 HG21 VAL 49 3HG2 VAL 49 -4.427 -8.078 2.651 419 HG22 VAL 49 1HG2 VAL 49 -2.725 -8.530 2.551 420 HG23 VAL 49 2HG2 VAL 49 -3.430 -7.470 1.330 421 H GLU 50 H GLU 50 -5.867 -9.255 -0.881 422 HA GLU 50 HA GLU 50 -5.974 -7.444 -2.931 423 HB2 GLU 50 1HB GLU 50 -8.305 -6.874 -1.978 424 HB3 GLU 50 2HB GLU 50 -7.981 -8.532 -2.462 425 HG2 GLU 50 1HG GLU 50 -7.999 -9.313 -0.321 426 HG3 GLU 50 2HG GLU 50 -7.476 -7.776 0.362 427 HA PRO 51 HA PRO 51 -5.049 -3.435 -1.412 428 HB2 PRO 51 1HB PRO 51 -6.812 -1.889 -2.782 429 HB3 PRO 51 2HB PRO 51 -5.412 -2.657 -3.543 430 HG2 PRO 51 1HG PRO 51 -8.274 -3.536 -3.517 431 HG3 PRO 51 2HG PRO 51 -7.119 -3.525 -4.863 432 HD2 PRO 51 1HD PRO 51 -7.714 -5.771 -3.471 433 HD3 PRO 51 2HD PRO 51 -6.111 -5.482 -4.178 434 H GLU 52 H GLU 52 -8.280 -4.659 -1.084 435 HA GLU 52 HA GLU 52 -9.580 -2.633 0.264 436 HB2 GLU 52 1HB GLU 52 -9.983 -5.406 -0.180 437 HB3 GLU 52 2HB GLU 52 -10.213 -5.116 1.539 438 HG2 GLU 52 1HG GLU 52 -11.726 -3.176 0.791 439 HG3 GLU 52 2HG GLU 52 -11.721 -3.978 -0.778 440 H VAL 53 H VAL 53 -7.198 -4.918 1.470 441 HA VAL 53 HA VAL 53 -7.475 -3.969 4.199 442 HB VAL 53 HB VAL 53 -5.436 -5.889 3.069 443 HG11 VAL 53 1HG1 VAL 53 -6.012 -4.831 5.757 444 HG12 VAL 53 2HG1 VAL 53 -5.746 -6.573 5.657 445 HG13 VAL 53 3HG1 VAL 53 -4.509 -5.455 5.078 446 HG21 VAL 53 3HG2 VAL 53 -7.298 -7.286 4.608 447 HG22 VAL 53 1HG2 VAL 53 -8.254 -6.216 3.584 448 HG23 VAL 53 2HG2 VAL 53 -7.109 -7.342 2.856 449 H VAL 54 H VAL 54 -5.044 -3.892 1.615 450 HA VAL 54 HA VAL 54 -2.980 -2.608 2.916 451 HB VAL 54 HB VAL 54 -3.849 -2.160 0.057 452 HG11 VAL 54 1HG1 VAL 54 -1.184 -1.708 1.397 453 HG12 VAL 54 2HG1 VAL 54 -1.502 -1.557 -0.332 454 HG13 VAL 54 3HG1 VAL 54 -2.281 -0.459 0.809 455 HG21 VAL 54 3HG2 VAL 54 -3.507 -4.526 0.588 456 HG22 VAL 54 1HG2 VAL 54 -2.257 -3.921 -0.500 457 HG23 VAL 54 2HG2 VAL 54 -1.900 -4.153 1.212 458 H ARG 55 H ARG 55 -6.001 -1.296 1.764 459 HA ARG 55 HA ARG 55 -5.319 1.437 1.789 460 HB2 ARG 55 1HB ARG 55 -7.360 0.497 0.729 461 HB3 ARG 55 2HB ARG 55 -8.020 0.194 2.330 462 HG2 ARG 55 1HG ARG 55 -7.976 2.592 2.803 463 HG3 ARG 55 2HG ARG 55 -7.320 2.892 1.193 464 HD2 ARG 55 1HD ARG 55 -9.640 3.305 1.038 465 HD3 ARG 55 2HD ARG 55 -9.375 1.734 0.283 466 HE ARG 55 HE ARG 55 -10.010 1.394 3.010 467 HH11 ARG 55 1HH1 ARG 55 -11.457 2.277 -0.031 468 HH12 ARG 55 2HH1 ARG 55 -13.038 1.719 0.410 469 HH21 ARG 55 1HH2 ARG 55 -12.087 0.656 3.603 470 HH22 ARG 55 2HH2 ARG 55 -13.394 0.798 2.477 471 H GLN 56 H GLN 56 -6.562 -0.719 4.298 472 HA GLN 56 HA GLN 56 -6.686 1.418 6.246 473 HB2 GLN 56 1HB GLN 56 -8.335 -0.436 6.240 474 HB3 GLN 56 2HB GLN 56 -7.040 -1.560 6.630 475 HG2 GLN 56 1HG GLN 56 -8.475 -0.807 8.552 476 HG3 GLN 56 2HG GLN 56 -6.734 -0.630 8.767 477 HE21 GLN 56 2HE2 GLN 56 -6.241 1.165 9.779 478 HE22 GLN 56 1HE2 GLN 56 -7.033 2.691 9.605 479 H ILE 57 H ILE 57 -4.689 -1.434 5.610 480 HA ILE 57 HA ILE 57 -3.062 -1.298 7.881 481 HB ILE 57 HB ILE 57 -2.330 -2.279 5.119 482 HG12 ILE 57 1HG1 ILE 57 -4.302 -3.397 6.114 483 HG13 ILE 57 2HG1 ILE 57 -2.930 -4.487 5.954 484 HG21 ILE 57 1HG2 ILE 57 -0.942 -2.409 7.756 485 HG22 ILE 57 2HG2 ILE 57 -0.760 -3.738 6.614 486 HG23 ILE 57 3HG2 ILE 57 -0.280 -2.106 6.151 487 HD11 ILE 57 3HD1 ILE 57 -2.928 -3.192 8.527 488 HD12 ILE 57 1HD1 ILE 57 -4.454 -4.024 8.226 489 HD13 ILE 57 2HD1 ILE 57 -2.931 -4.910 8.127 490 H ALA 58 H ALA 58 -2.753 0.265 4.723 491 HA ALA 58 HA ALA 58 -0.209 1.390 5.102 492 HB1 ALA 58 3HB ALA 58 -0.910 1.450 2.906 493 HB2 ALA 58 1HB ALA 58 -2.523 2.024 3.326 494 HB3 ALA 58 2HB ALA 58 -1.148 3.126 3.401 495 H ILE 59 H ILE 59 -3.241 2.175 6.480 496 HA ILE 59 HA ILE 59 -2.579 4.921 7.086 497 HB ILE 59 HB ILE 59 -4.851 3.203 8.092 498 HG12 ILE 59 1HG1 ILE 59 -5.029 5.430 6.073 499 HG13 ILE 59 2HG1 ILE 59 -4.670 3.778 5.580 500 HG21 ILE 59 1HG2 ILE 59 -3.905 5.796 8.898 501 HG22 ILE 59 2HG2 ILE 59 -5.530 5.912 8.225 502 HG23 ILE 59 3HG2 ILE 59 -5.211 4.821 9.572 503 HD11 ILE 59 3HD1 ILE 59 -6.924 3.780 5.325 504 HD12 ILE 59 1HD1 ILE 59 -6.828 3.264 7.008 505 HD13 ILE 59 2HD1 ILE 59 -7.185 4.948 6.621 506 H THR 60 H THR 60 -2.855 1.868 8.870 507 HA THR 60 HA THR 60 -1.905 3.104 11.314 508 HB THR 60 HB THR 60 -3.640 1.320 11.368 509 HG1 THR 60 HG1 THR 60 -1.234 0.550 12.688 510 HG21 THR 60 3HG2 THR 60 -3.365 -0.662 10.375 511 HG22 THR 60 1HG2 THR 60 -1.803 -0.906 11.158 512 HG23 THR 60 2HG2 THR 60 -1.900 -0.010 9.642 513 H ARG 61 H ARG 61 -0.445 2.046 8.564 514 HA ARG 61 HA ARG 61 1.991 1.222 10.005 515 HB2 ARG 61 1HB ARG 61 1.073 0.485 7.220 516 HB3 ARG 61 2HB ARG 61 2.645 0.073 7.890 517 HG2 ARG 61 1HG ARG 61 -0.013 -0.827 8.982 518 HG3 ARG 61 2HG ARG 61 1.084 -1.801 8.001 519 HD2 ARG 61 1HD ARG 61 2.747 -0.971 9.976 520 HD3 ARG 61 2HD ARG 61 1.219 -1.079 10.849 521 HE ARG 61 HE ARG 61 2.809 -3.250 9.903 522 HH11 ARG 61 1HH1 ARG 61 -0.458 -2.240 10.560 523 HH12 ARG 61 2HH1 ARG 61 -1.040 -3.850 10.827 524 HH21 ARG 61 1HH2 ARG 61 2.054 -5.374 10.253 525 HH22 ARG 61 2HH2 ARG 61 0.389 -5.632 10.653 526 H LEU 62 H LEU 62 0.857 2.879 7.065 527 HA LEU 62 HA LEU 62 3.382 4.356 6.954 528 HB2 LEU 62 1HB LEU 62 1.416 3.465 5.014 529 HB3 LEU 62 2HB LEU 62 1.820 5.169 4.816 530 HG LEU 62 HG LEU 62 3.818 2.909 4.825 531 HD11 LEU 62 1HD1 LEU 62 3.770 2.858 2.546 532 HD12 LEU 62 2HD1 LEU 62 3.188 4.517 2.408 533 HD13 LEU 62 3HD1 LEU 62 2.076 3.229 2.869 534 HD21 LEU 62 3HD2 LEU 62 4.628 5.142 5.602 535 HD22 LEU 62 1HD2 LEU 62 4.181 5.789 4.023 536 HD23 LEU 62 2HD2 LEU 62 5.421 4.542 4.144 537 H LYS 63 H LYS 63 0.876 4.756 8.746 538 HA LYS 63 HA LYS 63 -0.312 6.485 9.638 539 HB2 LYS 63 1HB LYS 63 2.272 7.748 8.792 540 HB3 LYS 63 2HB LYS 63 0.998 8.743 9.486 541 HG2 LYS 63 1HG LYS 63 1.994 6.279 10.873 542 HG3 LYS 63 2HG LYS 63 2.801 7.840 11.051 543 HD2 LYS 63 1HD LYS 63 0.031 8.283 11.408 544 HD3 LYS 63 2HD LYS 63 0.458 6.864 12.367 545 HE2 LYS 63 1HE LYS 63 2.009 9.445 12.450 546 HE3 LYS 63 2HE LYS 63 0.666 9.091 13.538 547 HZ1 LYS 63 3HZ LYS 63 2.005 6.962 14.035 548 HZ2 LYS 63 1HZ LYS 63 2.496 8.419 14.742 549 HZ3 LYS 63 2HZ LYS 63 3.317 7.815 13.393 550 H TRP 64 H TRP 64 -0.818 5.819 6.832 551 HA TRP 64 HA TRP 64 -1.209 8.184 5.322 552 HB2 TRP 64 1HB TRP 64 -1.106 5.843 4.399 553 HB3 TRP 64 2HB TRP 64 -2.726 5.584 5.041 554 HD1 TRP 64 HD1 TRP 64 -1.252 8.514 2.947 555 HE1 TRP 64 HE1 TRP 64 -2.814 8.905 0.940 556 HE3 TRP 64 HE3 TRP 64 -4.639 4.785 3.818 557 HZ2 TRP 64 HZ2 TRP 64 -5.172 7.782 -0.133 558 HZ3 TRP 64 HZ3 TRP 64 -6.520 4.511 2.254 559 HH2 TRP 64 HH2 TRP 64 -6.779 5.980 0.321 560 H VAL 65 H VAL 65 -3.284 9.105 4.691 561 HA VAL 65 HA VAL 65 -5.519 8.684 6.503 562 HB VAL 65 HB VAL 65 -5.698 11.184 6.901 563 HG11 VAL 65 1HG1 VAL 65 -4.463 11.076 8.892 564 HG12 VAL 65 2HG1 VAL 65 -4.889 9.400 8.538 565 HG13 VAL 65 3HG1 VAL 65 -3.263 9.990 8.191 566 HG21 VAL 65 3HG2 VAL 65 -4.164 12.593 6.115 567 HG22 VAL 65 1HG2 VAL 65 -2.848 11.624 6.778 568 HG23 VAL 65 2HG2 VAL 65 -3.503 11.248 5.184 569 H GLU 66 H GLU 66 -7.226 8.506 5.222 570 HA GLU 66 HA GLU 66 -7.355 9.126 2.537 571 HB2 GLU 66 1HB GLU 66 -9.890 9.130 2.915 572 HB3 GLU 66 2HB GLU 66 -9.008 7.674 3.350 573 HG2 GLU 66 1HG GLU 66 -9.510 7.864 5.521 574 HG3 GLU 66 2HG GLU 66 -9.284 9.612 5.525 575 HA PRO 67 HA PRO 67 -7.952 13.455 2.140 576 HB2 PRO 67 1HB PRO 67 -9.669 13.582 0.042 577 HB3 PRO 67 2HB PRO 67 -7.969 13.131 -0.134 578 HG2 PRO 67 1HG PRO 67 -10.391 11.376 0.001 579 HG3 PRO 67 2HG PRO 67 -8.984 11.262 -1.073 580 HD2 PRO 67 1HD PRO 67 -9.269 9.708 1.127 581 HD3 PRO 67 2HD PRO 67 -7.682 10.242 0.534
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