NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3531 | 1dtk | 66 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 626 H/Q atoms Start of MODEL 1 1 H ALA 1 HN ALA 1 7.104 -5.770 10.494 2 HA ALA 1 HA ALA 1 7.212 -6.036 8.031 3 1HB ALA 1 1HB ALA 1 9.206 -5.581 9.184 4 2HB ALA 1 2HB ALA 1 9.500 -7.332 9.380 5 3HB ALA 1 3HB ALA 1 9.423 -6.596 7.742 6 QB ALA 1 QB ALA 1 9.376 -6.503 8.769 7 H ALA 2 HN ALA 2 7.061 -7.243 6.235 8 HA ALA 2 HA ALA 2 6.752 -10.169 6.330 9 1HB ALA 2 3HB ALA 2 4.596 -8.177 5.465 10 2HB ALA 2 1HB ALA 2 4.586 -9.924 5.105 11 3HB ALA 2 2HB ALA 2 4.462 -9.360 6.789 12 QB ALA 2 QB ALA 2 4.548 -9.153 5.787 13 H LYS 3 HN LYS 3 7.125 -11.010 4.243 14 HA LYS 3 HA LYS 3 9.091 -9.802 2.744 15 1HB LYS 3 2HB LYS 3 7.454 -12.203 2.539 16 2HB LYS 3 3HB LYS 3 7.518 -11.455 0.962 17 1HG LYS 3 2HG LYS 3 9.321 -12.972 1.042 18 2HG LYS 3 3HG LYS 3 9.989 -11.345 1.079 19 1HD LYS 3 2HD LYS 3 11.237 -12.693 2.595 20 2HD LYS 3 3HD LYS 3 10.296 -11.573 3.585 21 1HE LYS 3 2HE LYS 3 8.690 -13.333 4.155 22 2HE LYS 3 3HE LYS 3 9.402 -14.435 2.966 23 1HZ LYS 3 1HZ LYS 3 10.759 -13.464 5.394 24 2HZ LYS 3 2HZ LYS 3 10.098 -14.952 5.183 25 3HZ LYS 3 3HZ LYS 3 11.393 -14.502 4.285 26 QB LYS 3 QB LYS 3 7.486 -11.829 1.751 27 QG LYS 3 QG LYS 3 9.655 -12.158 1.061 28 QD LYS 3 QD LYS 3 10.767 -12.133 3.090 29 QE LYS 3 QE LYS 3 9.046 -13.884 3.561 30 QZ LYS 3 QZ LYS 3 10.750 -14.306 4.954 31 OH TYR 4 OH TYR 4 0.721 -8.735 5.074 32 H TYR 4 HN TYR 4 5.588 -9.767 1.931 33 HA TYR 4 HA TYR 4 5.893 -8.338 -0.491 34 1HB TYR 4 2HB TYR 4 3.491 -8.016 -0.291 35 2HB TYR 4 3HB TYR 4 3.988 -9.676 0.024 36 HD1 TYR 4 HD2 TYR 4 2.702 -6.546 1.606 37 HD2 TYR 4 HD1 TYR 4 3.480 -10.763 2.101 38 HE1 TYR 4 HE2 TYR 4 1.230 -6.589 3.581 39 HE2 TYR 4 HE1 TYR 4 2.050 -10.780 4.123 40 HH TYR 4 HH TYR 4 0.198 -7.940 5.200 41 QB TYR 4 QB TYR 4 3.740 -8.846 -0.133 42 QR TYR 4 QR TYR 4 2.366 -8.669 2.853 43 H CYS 5 HN CYS 5 6.140 -7.178 2.746 44 HA CYS 5 HA CYS 5 5.076 -4.558 2.473 45 1HB CYS 5 2HB CYS 5 5.875 -5.692 4.584 46 2HB CYS 5 3HB CYS 5 7.533 -5.302 4.100 47 QB CYS 5 QB CYS 5 6.704 -5.497 4.342 48 H LYS 6 HN LYS 6 7.963 -6.000 1.210 49 HA LYS 6 HA LYS 6 9.370 -3.556 0.532 50 1HB LYS 6 2HB LYS 6 9.643 -6.447 -0.294 51 2HB LYS 6 3HB LYS 6 10.541 -5.148 -1.124 52 1HG LYS 6 2HG LYS 6 11.576 -4.391 0.846 53 2HG LYS 6 3HG LYS 6 10.550 -5.381 1.893 54 1HD LYS 6 2HD LYS 6 12.799 -6.176 1.802 55 2HD LYS 6 3HD LYS 6 11.674 -7.398 1.196 56 1HE LYS 6 2HE LYS 6 13.343 -5.536 -0.593 57 2HE LYS 6 3HE LYS 6 13.931 -7.103 -0.032 58 1HZ LYS 6 3HZ LYS 6 11.522 -6.754 -1.684 59 2HZ LYS 6 1HZ LYS 6 12.996 -7.237 -2.222 60 3HZ LYS 6 2HZ LYS 6 12.155 -8.180 -1.173 61 QB LYS 6 QB LYS 6 10.092 -5.797 -0.709 62 QG LYS 6 QG LYS 6 11.063 -4.886 1.370 63 QD LYS 6 QD LYS 6 12.237 -6.787 1.499 64 QE LYS 6 QE LYS 6 13.637 -6.319 -0.312 65 QZ LYS 6 QZ LYS 6 12.224 -7.390 -1.693 66 H LEU 7 HN LEU 7 6.538 -4.978 -0.928 67 HA LEU 7 HA LEU 7 7.151 -4.334 -3.615 68 1HB LEU 7 2HB LEU 7 4.541 -4.680 -2.139 69 2HB LEU 7 3HB LEU 7 4.634 -4.377 -3.872 70 HG LEU 7 HG LEU 7 6.311 -6.631 -2.807 71 1HD1 LEU 7 1HD1 LEU 7 3.701 -6.752 -2.064 72 2HD1 LEU 7 2HD1 LEU 7 3.586 -7.417 -3.710 73 3HD1 LEU 7 3HD1 LEU 7 4.664 -8.168 -2.556 74 1HD2 LEU 7 3HD2 LEU 7 4.667 -6.182 -5.352 75 2HD2 LEU 7 1HD2 LEU 7 6.422 -5.942 -5.205 76 3HD2 LEU 7 2HD2 LEU 7 5.726 -7.571 -5.040 77 QB LEU 7 QB LEU 7 4.588 -4.528 -3.005 78 QD1 LEU 7 QD1 LEU 7 3.984 -7.445 -2.776 79 QD2 LEU 7 QD2 LEU 7 5.605 -6.565 -5.199 80 QQD LEU 7 QQD LEU 7 4.794 -7.005 -3.987 81 HA PRO 8 HA PRO 8 7.050 0.050 -3.291 82 1HB PRO 8 2HB PRO 8 7.222 0.803 -5.906 83 2HB PRO 8 3HB PRO 8 8.459 -0.229 -5.141 84 1HG PRO 8 2HG PRO 8 6.052 -1.172 -6.741 85 2HG PRO 8 3HG PRO 8 7.775 -1.534 -7.071 86 1HD PRO 8 2HD PRO 8 6.267 -3.250 -5.613 87 2HD PRO 8 3HD PRO 8 7.956 -2.884 -5.135 88 QB PRO 8 QB PRO 8 7.841 0.287 -5.523 89 QG PRO 8 QG PRO 8 6.914 -1.353 -6.906 90 QD PRO 8 QD PRO 8 7.112 -3.067 -5.374 91 H LEU 9 HN LEU 9 5.983 2.032 -4.707 92 HA LEU 9 HA LEU 9 3.259 2.089 -3.877 93 1HB LEU 9 2HB LEU 9 4.575 4.124 -3.919 94 2HB LEU 9 3HB LEU 9 4.779 4.016 -5.666 95 HG LEU 9 HG LEU 9 2.461 4.435 -6.086 96 1HD1 LEU 9 2HD1 LEU 9 1.960 4.061 -3.109 97 2HD1 LEU 9 3HD1 LEU 9 0.815 4.815 -4.216 98 3HD1 LEU 9 1HD1 LEU 9 1.262 3.125 -4.438 99 1HD2 LEU 9 1HD2 LEU 9 3.845 6.401 -5.476 100 2HD2 LEU 9 2HD2 LEU 9 2.133 6.626 -5.071 101 3HD2 LEU 9 3HD2 LEU 9 3.302 6.244 -3.789 102 QB LEU 9 QB LEU 9 4.677 4.070 -4.792 103 QD1 LEU 9 QD1 LEU 9 1.346 4.001 -3.921 104 QD2 LEU 9 QD2 LEU 9 3.093 6.424 -4.778 105 QQD LEU 9 QQD LEU 9 2.220 5.212 -4.349 106 NH1 ARG 10 NH2 ARG 10 3.262 -4.971 -10.084 107 NH2 ARG 10 NH1 ARG 10 1.078 -5.604 -10.581 108 H ARG 10 HN ARG 10 2.499 0.264 -4.880 109 HA ARG 10 HA ARG 10 2.200 0.200 -7.787 110 1HB ARG 10 2HB ARG 10 2.921 -1.715 -6.324 111 2HB ARG 10 3HB ARG 10 1.359 -1.629 -5.525 112 1HG ARG 10 2HG ARG 10 1.239 -3.437 -7.040 113 2HG ARG 10 3HG ARG 10 0.277 -2.124 -7.745 114 1HD ARG 10 2HD ARG 10 2.077 -1.602 -9.323 115 2HD ARG 10 3HD ARG 10 3.128 -2.806 -8.548 116 HE ARG 10 HE ARG 10 0.432 -3.484 -9.704 117 1HH1 ARG 10 2HH2 ARG 10 3.906 -4.271 -9.753 118 2HH1 ARG 10 1HH2 ARG 10 3.635 -5.849 -10.416 119 1HH2 ARG 10 2HH1 ARG 10 0.092 -5.386 -10.426 120 2HH2 ARG 10 1HH1 ARG 10 1.341 -6.483 -10.996 121 QB ARG 10 QB ARG 10 2.140 -1.672 -5.924 122 QG ARG 10 QG ARG 10 0.758 -2.780 -7.392 123 QD ARG 10 QD ARG 10 2.603 -2.204 -8.935 124 QH1 ARG 10 QH2 ARG 10 3.771 -5.060 -10.084 125 QH2 ARG 10 QH1 ARG 10 0.717 -5.934 -10.711 126 H ILE 11 HN ILE 11 0.799 2.120 -7.898 127 HA ILE 11 HA ILE 11 -1.847 2.167 -6.792 128 HB ILE 11 HB ILE 11 -0.796 3.483 -9.327 129 1HG1 ILE 11 2HG1 ILE 11 -0.979 4.474 -6.441 130 2HG1 ILE 11 3HG1 ILE 11 0.510 4.076 -7.309 131 1HG2 ILE 11 2HG2 ILE 11 -3.276 4.006 -7.625 132 2HG2 ILE 11 3HG2 ILE 11 -2.731 5.062 -8.937 133 3HG2 ILE 11 1HG2 ILE 11 -3.263 3.429 -9.295 134 1HD1 ILE 11 1HD1 ILE 11 -0.025 5.885 -8.972 135 2HD1 ILE 11 2HD1 ILE 11 -1.333 6.409 -7.876 136 3HD1 ILE 11 3HD1 ILE 11 0.344 6.427 -7.322 137 QG1 ILE 11 QG1 ILE 11 -0.234 4.275 -6.875 138 QG2 ILE 11 QG2 ILE 11 -3.090 4.166 -8.619 139 QD1 ILE 11 QD1 ILE 11 -0.338 6.241 -8.056 140 H GLY 12 HN GLY 12 -0.460 0.677 -9.668 141 1HA GLY 12 1HA GLY 12 -1.203 -1.110 -10.847 142 2HA GLY 12 2HA GLY 12 -2.714 -1.163 -9.953 143 QA GLY 12 QA GLY 12 -1.958 -1.136 -10.400 144 HA PRO 13 HA PRO 13 -2.446 1.476 -13.982 145 1HB PRO 13 2HB PRO 13 -2.506 -0.134 -16.166 146 2HB PRO 13 3HB PRO 13 -1.084 -0.092 -15.095 147 1HG PRO 13 2HG PRO 13 -3.406 -2.054 -14.946 148 2HG PRO 13 3HG PRO 13 -1.670 -2.452 -15.134 149 1HD PRO 13 2HD PRO 13 -2.815 -2.391 -12.658 150 2HD PRO 13 3HD PRO 13 -1.182 -1.714 -12.934 151 QB PRO 13 QB PRO 13 -1.795 -0.113 -15.630 152 QG PRO 13 QG PRO 13 -2.538 -2.253 -15.040 153 QD PRO 13 QD PRO 13 -1.998 -2.052 -12.796 154 H CYS 14 HN CYS 14 -4.940 0.848 -12.451 155 HA CYS 14 HA CYS 14 -6.912 0.978 -14.714 156 1HB CYS 14 2HB CYS 14 -6.893 -0.376 -12.121 157 2HB CYS 14 3HB CYS 14 -8.313 0.563 -12.399 158 QB CYS 14 QB CYS 14 -7.603 0.094 -12.260 159 H LYS 15 HN LYS 15 -8.764 2.345 -14.151 160 HA LYS 15 HA LYS 15 -7.487 4.993 -13.641 161 1HB LYS 15 2HB LYS 15 -8.676 5.851 -15.447 162 2HB LYS 15 3HB LYS 15 -8.085 4.284 -15.944 163 1HG LYS 15 2HG LYS 15 -10.157 3.887 -16.701 164 2HG LYS 15 3HG LYS 15 -10.572 3.555 -15.025 165 1HD LYS 15 2HD LYS 15 -12.100 5.207 -15.148 166 2HD LYS 15 3HD LYS 15 -10.783 6.375 -15.232 167 1HE LYS 15 2HE LYS 15 -10.726 6.055 -17.748 168 2HE LYS 15 3HE LYS 15 -12.178 5.046 -17.595 169 1HZ LYS 15 3HZ LYS 15 -13.289 6.966 -16.609 170 2HZ LYS 15 1HZ LYS 15 -11.941 7.884 -16.834 171 3HZ LYS 15 2HZ LYS 15 -12.755 7.286 -18.130 172 QB LYS 15 QB LYS 15 -8.380 5.068 -15.695 173 QG LYS 15 QG LYS 15 -10.364 3.721 -15.863 174 QD LYS 15 QD LYS 15 -11.441 5.791 -15.190 175 QE LYS 15 QE LYS 15 -11.452 5.551 -17.671 176 QZ LYS 15 QZ LYS 15 -12.662 7.379 -17.191 177 NH1 ARG 16 NH2 ARG 16 -12.429 -1.748 -10.171 178 NH2 ARG 16 NH1 ARG 16 -11.861 -1.303 -7.971 179 H ARG 16 HN ARG 16 -8.353 3.694 -11.527 180 HA ARG 16 HA ARG 16 -10.875 4.969 -10.595 181 1HB ARG 16 2HB ARG 16 -9.517 2.342 -10.032 182 2HB ARG 16 3HB ARG 16 -10.809 2.952 -8.964 183 1HG ARG 16 2HG ARG 16 -12.458 2.638 -10.586 184 2HG ARG 16 3HG ARG 16 -11.319 2.736 -11.929 185 1HD ARG 16 2HD ARG 16 -12.208 0.459 -11.553 186 2HD ARG 16 3HD ARG 16 -10.439 0.541 -11.506 187 HE ARG 16 HE ARG 16 -10.707 0.695 -8.951 188 1HH1 ARG 16 2HH2 ARG 16 -12.359 -1.518 -11.150 189 2HH1 ARG 16 1HH2 ARG 16 -12.860 -2.624 -9.914 190 1HH2 ARG 16 2HH1 ARG 16 -11.372 -0.731 -7.295 191 2HH2 ARG 16 1HH1 ARG 16 -12.330 -2.136 -7.648 192 QB ARG 16 QB ARG 16 -10.163 2.647 -9.498 193 QG ARG 16 QG ARG 16 -11.888 2.687 -11.257 194 QD ARG 16 QD ARG 16 -11.323 0.500 -11.529 195 QH1 ARG 16 QH2 ARG 16 -12.609 -2.071 -10.532 196 QH2 ARG 16 QH1 ARG 16 -11.851 -1.433 -7.471 197 H LYS 17 HN LYS 17 -10.756 5.116 -8.076 198 HA LYS 17 HA LYS 17 -8.092 5.617 -6.999 199 1HB LYS 17 2HB LYS 17 -8.349 7.937 -6.554 200 2HB LYS 17 3HB LYS 17 -8.615 7.676 -8.272 201 1HG LYS 17 2HG LYS 17 -11.152 7.631 -7.644 202 2HG LYS 17 3HG LYS 17 -10.595 8.326 -6.095 203 1HD LYS 17 2HD LYS 17 -9.336 10.072 -7.556 204 2HD LYS 17 3HD LYS 17 -10.346 9.515 -8.894 205 1HE LYS 17 2HE LYS 17 -11.198 10.803 -6.255 206 2HE LYS 17 3HE LYS 17 -11.391 11.471 -7.882 207 1HZ LYS 17 1HZ LYS 17 -12.952 9.666 -8.332 208 2HZ LYS 17 2HZ LYS 17 -12.778 9.109 -6.790 209 3HZ LYS 17 3HZ LYS 17 -13.446 10.587 -7.059 210 QB LYS 17 QB LYS 17 -8.482 7.807 -7.413 211 QG LYS 17 QG LYS 17 -10.873 7.979 -6.869 212 QD LYS 17 QD LYS 17 -9.841 9.794 -8.225 213 QE LYS 17 QE LYS 17 -11.294 11.137 -7.068 214 QZ LYS 17 QZ LYS 17 -13.059 9.788 -7.393 215 H ILE 18 HN ILE 18 -8.275 4.445 -5.214 216 HA ILE 18 HA ILE 18 -10.714 4.604 -3.516 217 HB ILE 18 HB ILE 18 -9.043 2.166 -4.196 218 1HG1 ILE 18 2HG1 ILE 18 -11.945 2.893 -4.815 219 2HG1 ILE 18 3HG1 ILE 18 -10.611 2.833 -5.980 220 1HG2 ILE 18 2HG2 ILE 18 -9.774 2.164 -1.803 221 2HG2 ILE 18 3HG2 ILE 18 -11.452 2.407 -2.340 222 3HG2 ILE 18 1HG2 ILE 18 -10.576 0.915 -2.744 223 1HD1 ILE 18 2HD1 ILE 18 -10.317 0.390 -5.455 224 2HD1 ILE 18 3HD1 ILE 18 -11.846 0.473 -4.539 225 3HD1 ILE 18 1HD1 ILE 18 -11.830 0.868 -6.263 226 QG1 ILE 18 QG1 ILE 18 -11.278 2.863 -5.397 227 QG2 ILE 18 QG2 ILE 18 -10.601 1.829 -2.295 228 QD1 ILE 18 QD1 ILE 18 -11.331 0.577 -5.419 229 HA PRO 19 HA PRO 19 -7.189 6.150 -1.154 230 1HB PRO 19 2HB PRO 19 -8.456 6.848 1.198 231 2HB PRO 19 3HB PRO 19 -8.447 7.830 -0.296 232 1HG PRO 19 2HG PRO 19 -10.577 5.897 0.622 233 2HG PRO 19 3HG PRO 19 -10.796 7.565 0.009 234 1HD PRO 19 2HD PRO 19 -11.151 5.427 -1.582 235 2HD PRO 19 3HD PRO 19 -10.316 6.872 -2.240 236 QB PRO 19 QB PRO 19 -8.451 7.339 0.451 237 QG PRO 19 QG PRO 19 -10.686 6.731 0.316 238 QD PRO 19 QD PRO 19 -10.733 6.150 -1.911 239 H SER 20 HN SER 20 -5.725 4.799 -0.299 240 HA SER 20 HA SER 20 -6.418 2.791 1.765 241 1HB SER 20 2HB SER 20 -4.648 2.033 -0.589 242 2HB SER 20 3HB SER 20 -5.409 0.975 0.600 243 HG SER 20 HG SER 20 -6.822 2.525 -1.312 244 QB SER 20 QB SER 20 -5.028 1.504 0.006 245 H PHE 21 HN PHE 21 -4.185 1.744 2.346 246 HA PHE 21 HA PHE 21 -2.038 3.800 2.479 247 1HB PHE 21 2HB PHE 21 -2.988 1.937 4.690 248 2HB PHE 21 3HB PHE 21 -1.523 2.906 4.753 249 HD1 PHE 21 HD2 PHE 21 -5.248 3.084 4.640 250 HD2 PHE 21 HD1 PHE 21 -1.593 5.276 5.261 251 HE1 PHE 21 HE2 PHE 21 -6.516 4.874 5.793 252 HE2 PHE 21 HE1 PHE 21 -2.863 7.056 6.435 253 HZ PHE 21 HZ PHE 21 -5.319 6.849 6.722 254 QB PHE 21 QB PHE 21 -2.255 2.422 4.722 255 QR PHE 21 QR PHE 21 -4.055 5.073 5.533 256 OH TYR 22 OH TYR 22 4.803 4.874 -1.571 257 H TYR 22 HN TYR 22 0.055 2.978 2.128 258 HA TYR 22 HA TYR 22 0.436 0.047 2.026 259 1HB TYR 22 2HB TYR 22 1.458 0.057 -0.002 260 2HB TYR 22 3HB TYR 22 0.096 1.086 -0.364 261 HD1 TYR 22 HD2 TYR 22 0.783 3.764 0.220 262 HD2 TYR 22 HD1 TYR 22 3.475 0.584 -0.916 263 HE1 TYR 22 HE2 TYR 22 2.458 5.430 -0.507 264 HE2 TYR 22 HE1 TYR 22 5.114 2.245 -1.691 265 HH TYR 22 HH TYR 22 5.539 4.455 -2.014 266 QB TYR 22 QB TYR 22 0.777 0.572 -0.183 267 QR TYR 22 QR TYR 22 2.958 3.006 -0.723 268 OH TYR 23 OH TYR 23 9.186 0.314 7.421 269 H TYR 23 HN TYR 23 2.853 -0.398 2.060 270 HA TYR 23 HA TYR 23 4.222 1.588 3.830 271 1HB TYR 23 2HB TYR 23 3.894 -0.787 4.603 272 2HB TYR 23 3HB TYR 23 4.955 -1.282 3.303 273 HD1 TYR 23 HD2 TYR 23 4.735 0.475 6.536 274 HD2 TYR 23 HD1 TYR 23 7.377 -0.835 3.425 275 HE1 TYR 23 HE2 TYR 23 6.666 0.890 8.023 276 HE2 TYR 23 HE1 TYR 23 9.288 -0.676 5.012 277 HH TYR 23 HH TYR 23 9.090 1.100 7.976 278 QB TYR 23 QB TYR 23 4.425 -1.034 3.953 279 QR TYR 23 QR TYR 23 7.017 -0.036 5.749 280 H LYS 24 HN LYS 24 5.548 2.993 2.764 281 HA LYS 24 HA LYS 24 6.798 2.181 0.202 282 1HB LYS 24 2HB LYS 24 5.966 4.460 0.618 283 2HB LYS 24 3HB LYS 24 7.109 4.662 1.935 284 1HG LYS 24 2HG LYS 24 8.992 4.445 0.368 285 2HG LYS 24 3HG LYS 24 7.876 4.099 -0.974 286 1HD LYS 24 2HD LYS 24 6.898 6.369 -0.762 287 2HD LYS 24 3HD LYS 24 7.811 6.633 0.713 288 1HE LYS 24 2HE LYS 24 8.947 7.883 -0.907 289 2HE LYS 24 3HE LYS 24 9.969 6.479 -0.585 290 1HZ LYS 24 3HZ LYS 24 8.152 6.790 -2.894 291 2HZ LYS 24 1HZ LYS 24 9.774 7.019 -2.916 292 3HZ LYS 24 2HZ LYS 24 9.170 5.516 -2.637 293 QB LYS 24 QB LYS 24 6.538 4.561 1.277 294 QG LYS 24 QG LYS 24 8.434 4.272 -0.303 295 QD LYS 24 QD LYS 24 7.355 6.501 -0.024 296 QE LYS 24 QE LYS 24 9.458 7.181 -0.746 297 QZ LYS 24 QZ LYS 24 9.032 6.442 -2.815 298 CH2 TRP 25 CH2 TRP 25 11.899 -4.665 5.240 299 H TRP 25 HN TRP 25 7.998 0.298 0.970 300 HA TRP 25 HA TRP 25 9.825 0.267 3.085 301 1HB TRP 25 2HB TRP 25 9.131 -1.663 1.712 302 2HB TRP 25 3HB TRP 25 10.146 -1.076 0.390 303 HD1 TRP 25 HD1 TRP 25 12.780 -1.428 0.638 304 HE1 TRP 25 HE1 TRP 25 14.236 -2.898 2.112 305 HE3 TRP 25 HE3 TRP 25 9.223 -2.975 3.956 306 HZ2 TRP 25 HZ2 TRP 25 13.905 -4.595 4.438 307 HZ3 TRP 25 HZ3 TRP 25 9.816 -4.537 5.787 308 HH2 TRP 25 HH2 TRP 25 12.144 -5.374 6.018 309 QB TRP 25 QB TRP 25 9.639 -1.369 1.051 310 H LYS 26 HN LYS 26 10.240 1.770 -0.043 311 HA LYS 26 HA LYS 26 13.072 2.231 0.216 312 1HB LYS 26 2HB LYS 26 11.578 2.113 -1.867 313 2HB LYS 26 3HB LYS 26 11.091 3.776 -1.498 314 1HG LYS 26 2HG LYS 26 13.322 4.582 -1.794 315 2HG LYS 26 3HG LYS 26 14.017 2.955 -1.757 316 1HD LYS 26 2HD LYS 26 12.201 3.953 -4.004 317 2HD LYS 26 3HD LYS 26 13.971 4.048 -3.996 318 1HE LYS 26 2HE LYS 26 14.152 1.590 -3.784 319 2HE LYS 26 3HE LYS 26 12.389 1.435 -3.826 320 1HZ LYS 26 3HZ LYS 26 14.050 2.509 -6.011 321 2HZ LYS 26 1HZ LYS 26 13.385 1.012 -5.949 322 3HZ LYS 26 2HZ LYS 26 12.414 2.331 -6.046 323 QB LYS 26 QB LYS 26 11.335 2.945 -1.682 324 QG LYS 26 QG LYS 26 13.670 3.769 -1.775 325 QD LYS 26 QD LYS 26 13.086 4.001 -4.000 326 QE LYS 26 QE LYS 26 13.271 1.513 -3.805 327 QZ LYS 26 QZ LYS 26 13.283 1.951 -6.002 328 H ALA 27 HN ALA 27 10.494 3.570 1.946 329 HA ALA 27 HA ALA 27 12.154 5.914 2.789 330 1HB ALA 27 3HB ALA 27 9.126 5.593 2.837 331 2HB ALA 27 1HB ALA 27 10.043 6.929 3.561 332 3HB ALA 27 2HB ALA 27 10.081 6.691 1.806 333 QB ALA 27 QB ALA 27 9.750 6.405 2.735 334 H LYS 28 HN LYS 28 10.002 3.309 3.774 335 HA LYS 28 HA LYS 28 10.169 1.793 5.397 336 1HB LYS 28 2HB LYS 28 11.895 3.666 7.057 337 2HB LYS 28 3HB LYS 28 11.453 2.029 7.480 338 1HG LYS 28 2HG LYS 28 13.055 2.708 4.999 339 2HG LYS 28 3HG LYS 28 13.752 2.279 6.566 340 1HD LYS 28 2HD LYS 28 12.568 0.103 6.547 341 2HD LYS 28 3HD LYS 28 11.911 0.447 4.945 342 1HE LYS 28 2HE LYS 28 14.872 0.195 5.668 343 2HE LYS 28 3HE LYS 28 13.889 -0.998 4.801 344 1HZ LYS 28 1HZ LYS 28 13.513 0.704 3.111 345 2HZ LYS 28 2HZ LYS 28 14.594 1.690 3.823 346 3HZ LYS 28 3HZ LYS 28 15.087 0.241 3.206 347 QB LYS 28 QB LYS 28 11.674 2.848 7.269 348 QG LYS 28 QG LYS 28 13.404 2.494 5.783 349 QD LYS 28 QD LYS 28 12.240 0.275 5.746 350 QE LYS 28 QE LYS 28 14.381 -0.401 5.235 351 QZ LYS 28 QZ LYS 28 14.398 0.879 3.380 352 H GLN 29 HN GLN 29 8.102 3.801 4.921 353 HA GLN 29 HA GLN 29 6.759 3.375 7.494 354 1HB GLN 29 2HB GLN 29 7.214 6.163 6.373 355 2HB GLN 29 3HB GLN 29 5.792 5.765 7.337 356 1HG GLN 29 2HG GLN 29 7.328 4.855 9.140 357 2HG GLN 29 3HG GLN 29 8.669 5.631 8.284 358 1HE2 GLN 29 2HE2 GLN 29 7.404 8.973 9.037 359 2HE2 GLN 29 1HE2 GLN 29 8.306 8.076 7.827 360 QB GLN 29 QB GLN 29 6.503 5.964 6.855 361 QG GLN 29 QG GLN 29 7.999 5.243 8.712 362 QE2 GLN 29 QE2 GLN 29 7.855 8.525 8.432 363 H CYS 30 HN CYS 30 4.575 3.730 7.494 364 HA CYS 30 HA CYS 30 3.113 2.809 5.149 365 1HB CYS 30 2HB CYS 30 2.249 3.693 7.912 366 2HB CYS 30 3HB CYS 30 1.176 3.010 6.682 367 QB CYS 30 QB CYS 30 1.713 3.352 7.297 368 H LEU 31 HN LEU 31 1.935 4.148 3.784 369 HA LEU 31 HA LEU 31 1.525 6.986 4.572 370 1HB LEU 31 2HB LEU 31 2.561 6.003 1.885 371 2HB LEU 31 3HB LEU 31 2.275 7.690 2.323 372 HG LEU 31 HG LEU 31 4.403 5.871 3.559 373 1HD1 LEU 31 2HD1 LEU 31 4.775 6.367 1.164 374 2HD1 LEU 31 3HD1 LEU 31 4.684 8.103 1.513 375 3HD1 LEU 31 1HD1 LEU 31 5.990 7.123 2.215 376 1HD2 LEU 31 3HD2 LEU 31 4.031 8.885 3.788 377 2HD2 LEU 31 1HD2 LEU 31 3.734 7.725 5.094 378 3HD2 LEU 31 2HD2 LEU 31 5.374 7.922 4.459 379 QB LEU 31 QB LEU 31 2.418 6.847 2.104 380 QD1 LEU 31 QD1 LEU 31 5.150 7.198 1.631 381 QD2 LEU 31 QD2 LEU 31 4.380 8.178 4.447 382 QQD LEU 31 QQD LEU 31 4.765 7.688 3.039 383 HA PRO 32 HA PRO 32 -2.451 6.103 2.634 384 1HB PRO 32 2HB PRO 32 -3.425 8.635 2.335 385 2HB PRO 32 3HB PRO 32 -3.305 7.842 3.926 386 1HG PRO 32 2HG PRO 32 -1.375 9.808 2.670 387 2HG PRO 32 3HG PRO 32 -2.018 9.820 4.337 388 1HD PRO 32 2HD PRO 32 0.438 8.799 3.665 389 2HD PRO 32 3HD PRO 32 -0.541 8.107 4.998 390 QB PRO 32 QB PRO 32 -3.365 8.239 3.131 391 QG PRO 32 QG PRO 32 -1.696 9.814 3.504 392 QD PRO 32 QD PRO 32 -0.051 8.453 4.332 393 H PHE 33 HN PHE 33 -3.372 6.254 0.478 394 HA PHE 33 HA PHE 33 -2.458 8.090 -1.510 395 1HB PHE 33 2HB PHE 33 -1.263 6.659 -2.960 396 2HB PHE 33 3HB PHE 33 -0.482 6.448 -1.414 397 HD1 PHE 33 HD2 PHE 33 -1.711 4.429 0.089 398 HD2 PHE 33 HD1 PHE 33 -1.602 4.730 -4.217 399 HE1 PHE 33 HE2 PHE 33 -2.081 1.992 -0.118 400 HE2 PHE 33 HE1 PHE 33 -1.594 2.285 -4.377 401 HZ PHE 33 HZ PHE 33 -1.726 0.894 -2.256 402 QB PHE 33 QB PHE 33 -0.872 6.554 -2.187 403 QR PHE 33 QR PHE 33 -1.747 3.359 -2.155 404 H ASP 34 HN ASP 34 -3.353 6.961 -3.808 405 HA ASP 34 HA ASP 34 -6.033 5.798 -3.180 406 1HB ASP 34 2HB ASP 34 -5.088 7.834 -5.179 407 2HB ASP 34 3HB ASP 34 -6.254 6.630 -5.727 408 QB ASP 34 QB ASP 34 -5.671 7.232 -5.453 409 OH TYR 35 OH TYR 35 -5.351 -3.808 -7.031 410 H TYR 35 HN TYR 35 -6.255 3.735 -3.750 411 HA TYR 35 HA TYR 35 -4.328 2.450 -5.610 412 1HB TYR 35 2HB TYR 35 -4.986 1.257 -3.572 413 2HB TYR 35 3HB TYR 35 -6.682 1.400 -3.993 414 HD1 TYR 35 HD1 TYR 35 -3.818 0.357 -6.176 415 HD2 TYR 35 HD2 TYR 35 -7.438 -0.826 -4.265 416 HE1 TYR 35 HE1 TYR 35 -3.770 -1.754 -7.460 417 HE2 TYR 35 HE2 TYR 35 -7.174 -3.115 -5.222 418 HH TYR 35 HH TYR 35 -6.222 -4.214 -7.143 419 QB TYR 35 QB TYR 35 -5.834 1.329 -3.782 420 QR TYR 35 QR TYR 35 -5.550 -1.334 -5.780 421 H SER 36 HN SER 36 -5.183 1.398 -7.569 422 HA SER 36 HA SER 36 -7.487 2.805 -8.727 423 1HB SER 36 2HB SER 36 -6.960 1.530 -10.687 424 2HB SER 36 3HB SER 36 -5.494 2.313 -10.073 425 HG SER 36 HG SER 36 -4.665 0.410 -9.571 426 QB SER 36 QB SER 36 -6.227 1.922 -10.380 427 H GLY 37 HN GLY 37 -6.581 -0.575 -8.366 428 1HA GLY 37 1HA GLY 37 -8.648 -1.827 -6.963 429 2HA GLY 37 2HA GLY 37 -9.334 -1.468 -8.555 430 QA GLY 37 QA GLY 37 -8.991 -1.647 -7.759 431 H CYS 38 HN CYS 38 -6.999 -1.650 -10.122 432 HA CYS 38 HA CYS 38 -7.088 -4.603 -10.429 433 1HB CYS 38 2HB CYS 38 -6.148 -2.500 -12.376 434 2HB CYS 38 3HB CYS 38 -6.562 -4.170 -12.741 435 QB CYS 38 QB CYS 38 -6.355 -3.335 -12.558 436 H GLY 39 HN GLY 39 -5.197 -5.772 -10.678 437 1HA GLY 39 1HA GLY 39 -2.983 -6.337 -10.573 438 2HA GLY 39 2HA GLY 39 -2.787 -4.860 -11.535 439 QA GLY 39 QA GLY 39 -2.885 -5.598 -11.054 440 H GLY 40 HN GLY 40 -3.815 -4.693 -8.121 441 1HA GLY 40 1HA GLY 40 -1.545 -3.146 -7.351 442 2HA GLY 40 2HA GLY 40 -2.784 -3.795 -6.298 443 QA GLY 40 QA GLY 40 -2.164 -3.470 -6.824 444 H ASN 41 HN ASN 41 -1.602 -4.655 -4.648 445 HA ASN 41 HA ASN 41 -0.200 -7.141 -5.002 446 1HB ASN 41 2HB ASN 41 1.831 -6.288 -3.862 447 2HB ASN 41 3HB ASN 41 1.619 -5.568 -5.454 448 1HD2 ASN 41 2HD2 ASN 41 2.452 -2.558 -3.758 449 2HD2 ASN 41 1HD2 ASN 41 2.908 -3.839 -4.865 450 QB ASN 41 QB ASN 41 1.725 -5.928 -4.658 451 QD2 ASN 41 QD2 ASN 41 2.680 -3.198 -4.311 452 H ALA 42 HN ALA 42 0.772 -7.553 -2.597 453 HA ALA 42 HA ALA 42 -1.499 -7.536 -0.774 454 1HB ALA 42 2HB ALA 42 1.390 -8.447 -0.464 455 2HB ALA 42 3HB ALA 42 0.122 -8.736 0.729 456 3HB ALA 42 1HB ALA 42 0.018 -9.472 -0.884 457 QB ALA 42 QB ALA 42 0.510 -8.885 -0.206 458 H ASN 43 HN ASN 43 1.070 -5.278 -1.336 459 HA ASN 43 HA ASN 43 1.269 -4.366 1.436 460 1HB ASN 43 2HB ASN 43 3.139 -4.305 -0.326 461 2HB ASN 43 3HB ASN 43 2.277 -2.950 -1.070 462 1HD2 ASN 43 2HD2 ASN 43 4.760 -1.307 1.007 463 2HD2 ASN 43 1HD2 ASN 43 4.667 -2.185 -0.479 464 QB ASN 43 QB ASN 43 2.708 -3.627 -0.698 465 QD2 ASN 43 QD2 ASN 43 4.714 -1.746 0.264 466 NH1 ARG 44 NH2 ARG 44 -2.328 -0.263 -4.343 467 NH2 ARG 44 NH1 ARG 44 -1.103 -2.169 -4.551 468 H ARG 44 HN ARG 44 -1.267 -4.229 1.394 469 HA ARG 44 HA ARG 44 -2.016 -1.429 0.828 470 1HB ARG 44 2HB ARG 44 -2.219 -3.054 -1.219 471 2HB ARG 44 3HB ARG 44 -3.726 -3.562 -0.456 472 1HG ARG 44 2HG ARG 44 -4.568 -1.245 -0.429 473 2HG ARG 44 3HG ARG 44 -3.002 -0.632 -0.986 474 1HD ARG 44 2HD ARG 44 -5.007 -2.250 -2.601 475 2HD ARG 44 3HD ARG 44 -4.434 -0.645 -2.847 476 HE ARG 44 HE ARG 44 -2.918 -3.211 -3.188 477 1HH1 ARG 44 2HH2 ARG 44 -3.113 0.262 -3.993 478 2HH1 ARG 44 1HH2 ARG 44 -1.724 0.140 -5.056 479 1HH2 ARG 44 2HH1 ARG 44 -0.664 -2.894 -3.989 480 2HH2 ARG 44 1HH1 ARG 44 -0.578 -1.664 -5.262 481 QB ARG 44 QB ARG 44 -2.972 -3.308 -0.837 482 QG ARG 44 QG ARG 44 -3.785 -0.938 -0.707 483 QD ARG 44 QD ARG 44 -4.720 -1.447 -2.724 484 QH1 ARG 44 QH2 ARG 44 -2.418 0.201 -4.524 485 QH2 ARG 44 QH1 ARG 44 -0.621 -2.279 -4.625 486 H PHE 45 HN PHE 45 -3.294 -0.728 2.354 487 HA PHE 45 HA PHE 45 -4.968 -2.577 4.020 488 1HB PHE 45 2HB PHE 45 -3.022 -0.422 4.908 489 2HB PHE 45 3HB PHE 45 -4.001 -1.441 5.947 490 HD1 PHE 45 HD2 PHE 45 -3.451 -3.897 6.178 491 HD2 PHE 45 HD1 PHE 45 -1.026 -1.310 3.722 492 HE1 PHE 45 HE2 PHE 45 -1.580 -5.506 6.322 493 HE2 PHE 45 HE1 PHE 45 0.828 -2.943 3.831 494 HZ PHE 45 HZ PHE 45 0.576 -5.013 5.179 495 QB PHE 45 QB PHE 45 -3.511 -0.931 5.428 496 QR PHE 45 QR PHE 45 -1.307 -3.414 5.014 497 H LYS 46 HN LYS 46 -6.862 -1.645 4.772 498 HA LYS 46 HA LYS 46 -7.700 0.886 3.581 499 1HB LYS 46 2HB LYS 46 -8.961 -0.973 5.608 500 2HB LYS 46 3HB LYS 46 -9.737 0.524 5.094 501 1HG LYS 46 2HG LYS 46 -8.882 -1.473 2.980 502 2HG LYS 46 3HG LYS 46 -10.284 -1.811 3.986 503 1HD LYS 46 2HD LYS 46 -11.043 -0.860 1.975 504 2HD LYS 46 3HD LYS 46 -11.411 0.258 3.274 505 1HE LYS 46 2HE LYS 46 -8.888 0.595 1.583 506 2HE LYS 46 3HE LYS 46 -10.447 1.066 0.925 507 1HZ LYS 46 3HZ LYS 46 -9.391 2.175 3.445 508 2HZ LYS 46 1HZ LYS 46 -9.289 2.891 1.962 509 3HZ LYS 46 2HZ LYS 46 -10.753 2.633 2.637 510 QB LYS 46 QB LYS 46 -9.349 -0.224 5.351 511 QG LYS 46 QG LYS 46 -9.583 -1.642 3.483 512 QD LYS 46 QD LYS 46 -11.227 -0.301 2.625 513 QE LYS 46 QE LYS 46 -9.667 0.831 1.254 514 QZ LYS 46 QZ LYS 46 -9.811 2.567 2.682 515 H THR 47 HN THR 47 -5.956 -0.022 6.471 516 HA THR 47 HA THR 47 -6.365 2.723 7.588 517 HB THR 47 HB THR 47 -6.234 1.766 9.791 518 HG1 THR 47 1HG THR 47 -6.294 -0.635 9.865 519 1HG2 THR 47 2HG2 THR 47 -8.490 1.833 8.672 520 2HG2 THR 47 3HG2 THR 47 -8.274 0.136 8.198 521 3HG2 THR 47 1HG2 THR 47 -8.350 0.577 9.911 522 QG2 THR 47 QG2 THR 47 -8.371 0.849 8.927 523 H ILE 48 HN ILE 48 -4.581 3.695 8.509 524 HA ILE 48 HA ILE 48 -1.918 2.851 7.764 525 HB ILE 48 HB ILE 48 -2.738 5.244 8.527 526 1HG1 ILE 48 2HG1 ILE 48 -0.562 5.650 9.902 527 2HG1 ILE 48 3HG1 ILE 48 -0.167 3.964 9.541 528 1HG2 ILE 48 1HG2 ILE 48 -3.802 4.390 10.658 529 2HG2 ILE 48 2HG2 ILE 48 -2.145 4.137 11.277 530 3HG2 ILE 48 3HG2 ILE 48 -2.695 5.758 10.856 531 1HD1 ILE 48 1HD1 ILE 48 -0.382 4.521 7.105 532 2HD1 ILE 48 2HD1 ILE 48 -0.741 6.209 7.551 533 3HD1 ILE 48 3HD1 ILE 48 0.843 5.518 7.933 534 QG1 ILE 48 QG1 ILE 48 -0.364 4.807 9.722 535 QG2 ILE 48 QG2 ILE 48 -2.881 4.762 10.931 536 QD1 ILE 48 QD1 ILE 48 -0.093 5.416 7.530 537 H GLU 49 HN GLU 49 -3.929 2.327 10.678 538 HA GLU 49 HA GLU 49 -1.776 1.227 12.075 539 1HB GLU 49 2HB GLU 49 -4.632 1.586 12.581 540 2HB GLU 49 3HB GLU 49 -4.103 0.002 13.153 541 1HG GLU 49 2HG GLU 49 -3.850 1.716 14.898 542 2HG GLU 49 3HG GLU 49 -2.286 1.031 14.444 543 QB GLU 49 QB GLU 49 -4.367 0.794 12.867 544 QG GLU 49 QG GLU 49 -3.068 1.374 14.671 545 H GLU 50 HN GLU 50 -4.022 -0.486 9.830 546 HA GLU 50 HA GLU 50 -2.951 -3.031 10.699 547 1HB GLU 50 2HB GLU 50 -5.131 -2.722 9.465 548 2HB GLU 50 3HB GLU 50 -4.179 -2.476 7.992 549 1HG GLU 50 2HG GLU 50 -4.872 -4.817 8.147 550 2HG GLU 50 3HG GLU 50 -3.126 -4.778 8.444 551 QB GLU 50 QB GLU 50 -4.655 -2.599 8.729 552 QG GLU 50 QG GLU 50 -3.999 -4.797 8.296 553 H CYS 51 HN CYS 51 -2.022 -0.697 8.123 554 HA CYS 51 HA CYS 51 0.119 -2.282 7.066 555 1HB CYS 51 2HB CYS 51 -0.564 -0.265 5.864 556 2HB CYS 51 3HB CYS 51 -0.158 0.755 7.238 557 QB CYS 51 QB CYS 51 -0.361 0.245 6.551 558 NH1 ARG 52 NH2 ARG 52 1.314 5.252 14.070 559 NH2 ARG 52 NH1 ARG 52 2.234 6.020 12.078 560 H ARG 52 HN ARG 52 0.127 0.255 9.598 561 HA ARG 52 HA ARG 52 2.795 0.056 10.303 562 1HB ARG 52 2HB ARG 52 1.116 1.753 11.030 563 2HB ARG 52 3HB ARG 52 0.447 0.576 12.174 564 1HG ARG 52 2HG ARG 52 2.499 0.491 13.434 565 2HG ARG 52 3HG ARG 52 3.373 1.445 12.214 566 1HD ARG 52 2HD ARG 52 0.945 2.468 13.733 567 2HD ARG 52 3HD ARG 52 2.622 2.725 14.269 568 HE ARG 52 HE ARG 52 2.452 3.557 11.573 569 1HH1 ARG 52 2HH2 ARG 52 0.868 4.479 14.552 570 2HH1 ARG 52 1HH2 ARG 52 1.176 6.183 14.427 571 1HH2 ARG 52 2HH1 ARG 52 2.667 5.839 11.184 572 2HH2 ARG 52 1HH1 ARG 52 2.086 6.980 12.349 573 QB ARG 52 QB ARG 52 0.782 1.165 11.602 574 QG ARG 52 QG ARG 52 2.936 0.968 12.824 575 QD ARG 52 QD ARG 52 1.784 2.597 14.001 576 QH1 ARG 52 QH2 ARG 52 1.022 5.331 14.490 577 QH2 ARG 52 QH1 ARG 52 2.377 6.410 11.767 578 NH1 ARG 53 NH2 ARG 53 -0.657 -8.949 13.669 579 NH2 ARG 53 NH1 ARG 53 1.638 -8.615 13.480 580 H ARG 53 HN ARG 53 0.069 -1.800 11.610 581 HA ARG 53 HA ARG 53 1.511 -3.243 13.600 582 1HB ARG 53 2HB ARG 53 -0.921 -2.715 13.476 583 2HB ARG 53 3HB ARG 53 -1.134 -3.940 12.226 584 1HG ARG 53 2HG ARG 53 -0.047 -4.572 15.025 585 2HG ARG 53 3HG ARG 53 -1.760 -4.314 14.713 586 1HD ARG 53 2HD ARG 53 -1.624 -6.579 14.636 587 2HD ARG 53 3HD ARG 53 -1.644 -6.134 12.914 588 HE ARG 53 HE ARG 53 1.045 -6.224 13.535 589 1HH1 ARG 53 2HH2 ARG 53 -1.582 -8.544 13.696 590 2HH1 ARG 53 1HH2 ARG 53 -0.563 -9.952 13.637 591 1HH2 ARG 53 2HH1 ARG 53 2.413 -7.966 13.402 592 2HH2 ARG 53 1HH1 ARG 53 1.824 -9.605 13.456 593 QB ARG 53 QB ARG 53 -1.027 -3.327 12.851 594 QG ARG 53 QG ARG 53 -0.903 -4.443 14.869 595 QD ARG 53 QD ARG 53 -1.634 -6.356 13.775 596 QH1 ARG 53 QH2 ARG 53 -1.072 -9.248 13.667 597 QH2 ARG 53 QH1 ARG 53 2.119 -8.785 13.429 598 H THR 54 HN THR 54 0.803 -3.883 10.145 599 HA THR 54 HA THR 54 1.830 -6.585 10.207 600 HB THR 54 HB THR 54 1.516 -4.620 7.890 601 HG1 THR 54 1HG THR 54 -0.431 -5.117 8.916 602 1HG2 THR 54 2HG2 THR 54 1.881 -7.657 7.919 603 2HG2 THR 54 3HG2 THR 54 1.509 -6.662 6.499 604 3HG2 THR 54 1HG2 THR 54 3.071 -6.479 7.307 605 QG2 THR 54 QG2 THR 54 2.154 -6.932 7.242 606 H CYS 55 HN CYS 55 3.221 -3.429 9.143 607 HA CYS 55 HA CYS 55 5.735 -4.871 8.576 608 1HB CYS 55 2HB CYS 55 4.537 -3.434 6.919 609 2HB CYS 55 3HB CYS 55 5.226 -2.043 7.769 610 QB CYS 55 QB CYS 55 4.882 -2.738 7.344 611 H VAL 56 HN VAL 56 4.773 -2.050 10.499 612 HA VAL 56 HA VAL 56 7.458 -1.883 11.738 613 HB VAL 56 HB VAL 56 4.928 -0.287 12.324 614 1HG1 VAL 56 1HG1 VAL 56 7.835 0.170 13.065 615 2HG1 VAL 56 2HG1 VAL 56 6.604 1.445 13.118 616 3HG1 VAL 56 3HG1 VAL 56 6.421 0.041 14.150 617 1HG2 VAL 56 2HG2 VAL 56 7.191 0.270 10.368 618 2HG2 VAL 56 3HG2 VAL 56 5.451 0.162 10.008 619 3HG2 VAL 56 1HG2 VAL 56 6.074 1.526 10.933 620 QG1 VAL 56 QG1 VAL 56 6.953 0.552 13.445 621 QG2 VAL 56 QG2 VAL 56 6.239 0.653 10.437 622 QQG VAL 56 QQG VAL 56 6.596 0.603 11.941 623 H GLY 57 HN GLY 57 7.130 -1.818 14.329 624 1HA GLY 57 1HA GLY 57 6.432 -2.895 16.265 625 2HA GLY 57 2HA GLY 57 5.087 -3.628 15.377 626 QA GLY 57 QA GLY 57 5.760 -3.261 15.821 Start of MODEL 2 Raw file had 626 H/Q atoms Start of MODEL 2 1 H ALA 1 HN ALA 1 8.682 -8.057 10.230 2 HA ALA 1 HA ALA 1 7.614 -6.336 8.950 3 1HB ALA 1 3HB ALA 1 10.242 -6.382 7.386 4 2HB ALA 1 1HB ALA 1 8.784 -5.535 6.855 5 3HB ALA 1 2HB ALA 1 9.597 -5.035 8.354 6 QB ALA 1 QB ALA 1 9.541 -5.651 7.532 7 H ALA 2 HN ALA 2 6.129 -7.077 7.338 8 HA ALA 2 HA ALA 2 6.273 -9.833 6.590 9 1HB ALA 2 2HB ALA 2 4.163 -8.589 6.903 10 2HB ALA 2 3HB ALA 2 4.540 -7.589 5.477 11 3HB ALA 2 1HB ALA 2 4.255 -9.331 5.292 12 QB ALA 2 QB ALA 2 4.320 -8.503 5.891 13 H LYS 3 HN LYS 3 6.928 -10.795 4.688 14 HA LYS 3 HA LYS 3 8.969 -9.825 3.180 15 1HB LYS 3 2HB LYS 3 7.273 -12.120 3.189 16 2HB LYS 3 3HB LYS 3 7.230 -11.572 1.529 17 1HG LYS 3 2HG LYS 3 9.863 -11.948 3.020 18 2HG LYS 3 3HG LYS 3 8.976 -13.305 2.321 19 1HD LYS 3 2HD LYS 3 9.003 -12.257 0.098 20 2HD LYS 3 3HD LYS 3 9.934 -10.882 0.737 21 1HE LYS 3 2HE LYS 3 11.820 -12.332 1.291 22 2HE LYS 3 3HE LYS 3 10.872 -13.793 0.968 23 1HZ LYS 3 2HZ LYS 3 11.665 -11.836 -1.080 24 2HZ LYS 3 3HZ LYS 3 12.361 -13.302 -0.818 25 3HZ LYS 3 1HZ LYS 3 10.807 -13.219 -1.337 26 QB LYS 3 QB LYS 3 7.251 -11.846 2.359 27 QG LYS 3 QG LYS 3 9.420 -12.627 2.671 28 QD LYS 3 QD LYS 3 9.469 -11.569 0.418 29 QE LYS 3 QE LYS 3 11.346 -13.063 1.129 30 QZ LYS 3 QZ LYS 3 11.611 -12.786 -1.078 31 OH TYR 4 OH TYR 4 0.742 -8.730 4.997 32 H TYR 4 HN TYR 4 5.554 -9.711 2.127 33 HA TYR 4 HA TYR 4 6.072 -8.369 -0.325 34 1HB TYR 4 2HB TYR 4 3.643 -8.141 -0.356 35 2HB TYR 4 3HB TYR 4 4.194 -9.770 0.047 36 HD1 TYR 4 HD2 TYR 4 2.764 -6.635 1.517 37 HD2 TYR 4 HD1 TYR 4 3.438 -10.870 2.022 38 HE1 TYR 4 HE2 TYR 4 1.344 -6.631 3.516 39 HE2 TYR 4 HE1 TYR 4 1.968 -10.864 4.007 40 HH TYR 4 HH TYR 4 0.606 -9.596 5.387 41 QB TYR 4 QB TYR 4 3.919 -8.956 -0.154 42 QR TYR 4 QR TYR 4 2.379 -8.750 2.766 43 H CYS 5 HN CYS 5 6.066 -7.137 2.854 44 HA CYS 5 HA CYS 5 4.938 -4.539 2.570 45 1HB CYS 5 2HB CYS 5 5.765 -5.495 4.707 46 2HB CYS 5 3HB CYS 5 7.436 -5.323 4.127 47 QB CYS 5 QB CYS 5 6.600 -5.409 4.417 48 H LYS 6 HN LYS 6 7.928 -5.914 1.402 49 HA LYS 6 HA LYS 6 9.335 -3.550 0.749 50 1HB LYS 6 2HB LYS 6 10.250 -5.780 1.197 51 2HB LYS 6 3HB LYS 6 9.557 -6.390 -0.314 52 1HG LYS 6 2HG LYS 6 11.004 -5.146 -1.630 53 2HG LYS 6 3HG LYS 6 11.330 -3.956 -0.347 54 1HD LYS 6 2HD LYS 6 12.556 -5.585 0.980 55 2HD LYS 6 3HD LYS 6 12.255 -6.863 -0.199 56 1HE LYS 6 2HE LYS 6 13.837 -4.281 -0.717 57 2HE LYS 6 3HE LYS 6 14.568 -5.835 -0.301 58 1HZ LYS 6 3HZ LYS 6 13.661 -6.754 -2.320 59 2HZ LYS 6 1HZ LYS 6 12.976 -5.311 -2.723 60 3HZ LYS 6 2HZ LYS 6 14.611 -5.457 -2.651 61 QB LYS 6 QB LYS 6 9.903 -6.085 0.441 62 QG LYS 6 QG LYS 6 11.167 -4.551 -0.988 63 QD LYS 6 QD LYS 6 12.406 -6.224 0.390 64 QE LYS 6 QE LYS 6 14.202 -5.058 -0.509 65 QZ LYS 6 QZ LYS 6 13.749 -5.840 -2.565 66 H LEU 7 HN LEU 7 6.553 -4.935 -0.794 67 HA LEU 7 HA LEU 7 7.295 -4.270 -3.470 68 1HB LEU 7 2HB LEU 7 4.606 -4.819 -2.192 69 2HB LEU 7 3HB LEU 7 4.878 -4.635 -3.927 70 HG LEU 7 HG LEU 7 6.500 -6.679 -2.413 71 1HD1 LEU 7 2HD1 LEU 7 3.839 -6.943 -2.203 72 2HD1 LEU 7 3HD1 LEU 7 4.042 -7.596 -3.845 73 3HD1 LEU 7 1HD1 LEU 7 4.919 -8.324 -2.511 74 1HD2 LEU 7 2HD2 LEU 7 5.477 -6.455 -5.287 75 2HD2 LEU 7 3HD2 LEU 7 7.140 -6.124 -4.757 76 3HD2 LEU 7 1HD2 LEU 7 6.479 -7.770 -4.645 77 QB LEU 7 QB LEU 7 4.742 -4.727 -3.059 78 QD1 LEU 7 QD1 LEU 7 4.267 -7.621 -2.853 79 QD2 LEU 7 QD2 LEU 7 6.365 -6.783 -4.896 80 QQD LEU 7 QQD LEU 7 5.316 -7.202 -3.875 81 HA PRO 8 HA PRO 8 6.832 0.057 -3.101 82 1HB PRO 8 2HB PRO 8 7.038 0.871 -5.710 83 2HB PRO 8 3HB PRO 8 8.321 -0.056 -4.891 84 1HG PRO 8 2HG PRO 8 6.091 -1.177 -6.621 85 2HG PRO 8 3HG PRO 8 7.855 -1.385 -6.855 86 1HD PRO 8 2HD PRO 8 6.417 -3.244 -5.502 87 2HD PRO 8 3HD PRO 8 8.036 -2.743 -4.922 88 QB PRO 8 QB PRO 8 7.679 0.408 -5.301 89 QG PRO 8 QG PRO 8 6.973 -1.281 -6.738 90 QD PRO 8 QD PRO 8 7.227 -2.994 -5.212 91 H LEU 9 HN LEU 9 5.735 1.997 -4.546 92 HA LEU 9 HA LEU 9 3.040 2.040 -3.700 93 1HB LEU 9 2HB LEU 9 4.419 4.056 -3.864 94 2HB LEU 9 3HB LEU 9 4.518 3.894 -5.609 95 HG LEU 9 HG LEU 9 2.237 4.399 -5.946 96 1HD1 LEU 9 1HD1 LEU 9 1.746 4.001 -2.972 97 2HD1 LEU 9 2HD1 LEU 9 0.624 4.806 -4.057 98 3HD1 LEU 9 3HD1 LEU 9 1.022 3.107 -4.304 99 1HD2 LEU 9 3HD2 LEU 9 3.652 6.341 -5.367 100 2HD2 LEU 9 1HD2 LEU 9 1.953 6.588 -4.930 101 3HD2 LEU 9 2HD2 LEU 9 3.139 6.199 -3.671 102 QB LEU 9 QB LEU 9 4.468 3.975 -4.736 103 QD1 LEU 9 QD1 LEU 9 1.131 3.971 -3.778 104 QD2 LEU 9 QD2 LEU 9 2.915 6.376 -4.656 105 QQD LEU 9 QQD LEU 9 2.023 5.174 -4.217 106 NH1 ARG 10 NH2 ARG 10 2.774 -2.695 -11.395 107 NH2 ARG 10 NH1 ARG 10 1.108 -4.282 -11.757 108 H ARG 10 HN ARG 10 2.214 0.173 -4.638 109 HA ARG 10 HA ARG 10 1.890 0.124 -7.519 110 1HB ARG 10 2HB ARG 10 2.547 -1.774 -6.072 111 2HB ARG 10 3HB ARG 10 0.920 -1.763 -5.357 112 1HG ARG 10 2HG ARG 10 1.066 -3.503 -7.066 113 2HG ARG 10 3HG ARG 10 -0.029 -2.224 -7.607 114 1HD ARG 10 2HD ARG 10 1.717 -1.320 -9.102 115 2HD ARG 10 3HD ARG 10 2.863 -2.547 -8.499 116 HE ARG 10 HE ARG 10 0.453 -3.785 -9.445 117 1HH1 ARG 10 2HH2 ARG 10 3.219 -2.040 -10.770 118 2HH1 ARG 10 1HH2 ARG 10 3.127 -2.782 -12.337 119 1HH2 ARG 10 2HH1 ARG 10 0.309 -4.787 -11.383 120 2HH2 ARG 10 1HH1 ARG 10 1.411 -4.460 -12.703 121 QB ARG 10 QB ARG 10 1.734 -1.769 -5.714 122 QG ARG 10 QG ARG 10 0.518 -2.863 -7.337 123 QD ARG 10 QD ARG 10 2.290 -1.933 -8.800 124 QH1 ARG 10 QH2 ARG 10 3.173 -2.411 -11.554 125 QH2 ARG 10 QH1 ARG 10 0.860 -4.624 -12.043 126 H ILE 11 HN ILE 11 0.662 2.128 -7.534 127 HA ILE 11 HA ILE 11 -2.085 2.245 -6.774 128 HB ILE 11 HB ILE 11 -0.781 3.469 -9.244 129 1HG1 ILE 11 2HG1 ILE 11 -1.001 4.388 -6.351 130 2HG1 ILE 11 3HG1 ILE 11 0.463 4.142 -7.310 131 1HG2 ILE 11 2HG2 ILE 11 -3.351 4.105 -7.731 132 2HG2 ILE 11 3HG2 ILE 11 -2.678 5.102 -9.036 133 3HG2 ILE 11 1HG2 ILE 11 -3.232 3.469 -9.375 134 1HD1 ILE 11 3HD1 ILE 11 -0.271 6.043 -8.790 135 2HD1 ILE 11 1HD1 ILE 11 -1.547 6.383 -7.585 136 3HD1 ILE 11 2HD1 ILE 11 0.155 6.468 -7.118 137 QG1 ILE 11 QG1 ILE 11 -0.269 4.265 -6.831 138 QG2 ILE 11 QG2 ILE 11 -3.087 4.225 -8.714 139 QD1 ILE 11 QD1 ILE 11 -0.554 6.298 -7.831 140 H GLY 12 HN GLY 12 -0.397 0.745 -9.493 141 1HA GLY 12 1HA GLY 12 -1.034 -1.097 -10.730 142 2HA GLY 12 2HA GLY 12 -2.680 -1.028 -10.085 143 QA GLY 12 QA GLY 12 -1.857 -1.063 -10.407 144 HA PRO 13 HA PRO 13 -1.956 1.005 -14.301 145 1HB PRO 13 2HB PRO 13 -3.254 -0.696 -16.018 146 2HB PRO 13 3HB PRO 13 -1.585 -0.953 -15.438 147 1HG PRO 13 2HG PRO 13 -4.120 -2.172 -14.319 148 2HG PRO 13 3HG PRO 13 -2.605 -3.012 -14.767 149 1HD PRO 13 2HD PRO 13 -3.108 -2.291 -12.198 150 2HD PRO 13 3HD PRO 13 -1.459 -2.126 -12.867 151 QB PRO 13 QB PRO 13 -2.420 -0.824 -15.728 152 QG PRO 13 QG PRO 13 -3.363 -2.592 -14.543 153 QD PRO 13 QD PRO 13 -2.284 -2.208 -12.532 154 H CYS 14 HN CYS 14 -5.016 -0.002 -12.671 155 HA CYS 14 HA CYS 14 -6.620 1.050 -14.801 156 1HB CYS 14 2HB CYS 14 -7.010 -0.219 -12.160 157 2HB CYS 14 3HB CYS 14 -8.312 0.772 -12.699 158 QB CYS 14 QB CYS 14 -7.661 0.276 -12.430 159 H LYS 15 HN LYS 15 -8.304 2.646 -14.423 160 HA LYS 15 HA LYS 15 -6.933 5.106 -13.482 161 1HB LYS 15 2HB LYS 15 -7.837 4.560 -15.931 162 2HB LYS 15 3HB LYS 15 -9.367 5.088 -15.239 163 1HG LYS 15 2HG LYS 15 -8.616 7.081 -16.044 164 2HG LYS 15 3HG LYS 15 -7.887 7.192 -14.449 165 1HD LYS 15 2HD LYS 15 -6.559 6.305 -17.063 166 2HD LYS 15 3HD LYS 15 -6.345 7.859 -16.246 167 1HE LYS 15 2HE LYS 15 -5.314 6.646 -14.286 168 2HE LYS 15 3HE LYS 15 -5.429 5.127 -15.203 169 1HZ LYS 15 2HZ LYS 15 -3.864 7.486 -16.010 170 2HZ LYS 15 3HZ LYS 15 -3.275 6.089 -15.369 171 3HZ LYS 15 1HZ LYS 15 -3.983 6.071 -16.850 172 QB LYS 15 QB LYS 15 -8.602 4.824 -15.585 173 QG LYS 15 QG LYS 15 -8.251 7.137 -15.246 174 QD LYS 15 QD LYS 15 -6.452 7.082 -16.654 175 QE LYS 15 QE LYS 15 -5.372 5.887 -14.744 176 QZ LYS 15 QZ LYS 15 -3.707 6.549 -16.076 177 NH1 ARG 16 NH2 ARG 16 -13.186 -1.407 -9.430 178 NH2 ARG 16 NH1 ARG 16 -14.288 -0.004 -7.947 179 H ARG 16 HN ARG 16 -8.727 3.132 -11.914 180 HA ARG 16 HA ARG 16 -10.820 4.830 -10.802 181 1HB ARG 16 2HB ARG 16 -9.559 2.183 -10.049 182 2HB ARG 16 3HB ARG 16 -10.867 2.910 -9.096 183 1HG ARG 16 2HG ARG 16 -12.325 2.874 -11.129 184 2HG ARG 16 3HG ARG 16 -10.977 2.182 -12.034 185 1HD ARG 16 2HD ARG 16 -12.373 0.352 -11.450 186 2HD ARG 16 3HD ARG 16 -10.954 0.244 -10.378 187 HE ARG 16 HE ARG 16 -12.879 1.778 -9.026 188 1HH1 ARG 16 2HH2 ARG 16 -12.508 -1.529 -10.166 189 2HH1 ARG 16 1HH2 ARG 16 -13.675 -2.219 -9.082 190 1HH2 ARG 16 2HH1 ARG 16 -14.465 0.920 -7.579 191 2HH2 ARG 16 1HH1 ARG 16 -14.809 -0.778 -7.562 192 QB ARG 16 QB ARG 16 -10.213 2.547 -9.572 193 QG ARG 16 QG ARG 16 -11.651 2.528 -11.581 194 QD ARG 16 QD ARG 16 -11.663 0.298 -10.914 195 QH1 ARG 16 QH2 ARG 16 -13.092 -1.874 -9.624 196 QH2 ARG 16 QH1 ARG 16 -14.637 0.071 -7.570 197 H LYS 17 HN LYS 17 -10.740 4.865 -8.330 198 HA LYS 17 HA LYS 17 -8.193 5.703 -7.117 199 1HB LYS 17 2HB LYS 17 -10.647 7.490 -7.499 200 2HB LYS 17 3HB LYS 17 -9.410 7.811 -6.286 201 1HG LYS 17 2HG LYS 17 -8.878 7.682 -9.281 202 2HG LYS 17 3HG LYS 17 -9.194 9.161 -8.362 203 1HD LYS 17 2HD LYS 17 -7.271 8.737 -6.892 204 2HD LYS 17 3HD LYS 17 -6.858 7.274 -7.797 205 1HE LYS 17 2HE LYS 17 -6.877 10.114 -8.906 206 2HE LYS 17 3HE LYS 17 -5.452 9.203 -8.386 207 1HZ LYS 17 1HZ LYS 17 -5.991 7.541 -10.057 208 2HZ LYS 17 2HZ LYS 17 -7.250 8.449 -10.591 209 3HZ LYS 17 3HZ LYS 17 -5.710 9.025 -10.729 210 QB LYS 17 QB LYS 17 -10.029 7.650 -6.893 211 QG LYS 17 QG LYS 17 -9.036 8.422 -8.822 212 QD LYS 17 QD LYS 17 -7.065 8.006 -7.344 213 QE LYS 17 QE LYS 17 -6.164 9.658 -8.646 214 QZ LYS 17 QZ LYS 17 -6.317 8.338 -10.459 215 H ILE 18 HN ILE 18 -8.196 4.494 -5.337 216 HA ILE 18 HA ILE 18 -10.634 4.358 -3.654 217 HB ILE 18 HB ILE 18 -8.770 2.041 -4.247 218 1HG1 ILE 18 2HG1 ILE 18 -11.702 2.509 -4.964 219 2HG1 ILE 18 3HG1 ILE 18 -10.338 2.480 -6.088 220 1HG2 ILE 18 2HG2 ILE 18 -9.562 2.128 -1.865 221 2HG2 ILE 18 3HG2 ILE 18 -11.236 2.211 -2.450 222 3HG2 ILE 18 1HG2 ILE 18 -10.243 0.763 -2.732 223 1HD1 ILE 18 3HD1 ILE 18 -9.881 0.103 -5.418 224 2HD1 ILE 18 1HD1 ILE 18 -11.424 0.123 -4.524 225 3HD1 ILE 18 2HD1 ILE 18 -11.412 0.382 -6.274 226 QG1 ILE 18 QG1 ILE 18 -11.020 2.495 -5.526 227 QG2 ILE 18 QG2 ILE 18 -10.347 1.701 -2.349 228 QD1 ILE 18 QD1 ILE 18 -10.906 0.202 -5.406 229 HA PRO 19 HA PRO 19 -7.145 6.223 -1.390 230 1HB PRO 19 2HB PRO 19 -8.481 7.098 0.845 231 2HB PRO 19 3HB PRO 19 -8.482 7.940 -0.733 232 1HG PRO 19 2HG PRO 19 -10.563 6.021 0.334 233 2HG PRO 19 3HG PRO 19 -10.834 7.630 -0.401 234 1HD PRO 19 2HD PRO 19 -11.100 5.367 -1.826 235 2HD PRO 19 3HD PRO 19 -10.317 6.789 -2.589 236 QB PRO 19 QB PRO 19 -8.481 7.519 0.056 237 QG PRO 19 QG PRO 19 -10.699 6.825 -0.034 238 QD PRO 19 QD PRO 19 -10.708 6.078 -2.207 239 H SER 20 HN SER 20 -5.698 5.042 -0.242 240 HA SER 20 HA SER 20 -6.540 3.085 1.797 241 1HB SER 20 2HB SER 20 -4.830 2.294 -0.603 242 2HB SER 20 3HB SER 20 -5.396 1.238 0.705 243 HG SER 20 HG SER 20 -7.020 2.608 -1.174 244 QB SER 20 QB SER 20 -5.113 1.766 0.051 245 H PHE 21 HN PHE 21 -4.375 1.979 2.507 246 HA PHE 21 HA PHE 21 -2.118 3.921 2.604 247 1HB PHE 21 2HB PHE 21 -3.106 2.084 4.820 248 2HB PHE 21 3HB PHE 21 -1.602 2.994 4.861 249 HD1 PHE 21 2HD PHE 21 -5.311 3.299 4.850 250 HD2 PHE 21 1HD PHE 21 -1.573 5.372 5.372 251 HE1 PHE 21 2HE PHE 21 -6.514 5.200 5.877 252 HE2 PHE 21 1HE PHE 21 -2.780 7.291 6.381 253 HZ PHE 21 HZ PHE 21 -5.250 7.210 6.638 254 QB PHE 21 QB PHE 21 -2.354 2.539 4.841 255 QR PHE 21 QR PHE 21 -4.044 5.291 5.620 256 OH TYR 22 OH TYR 22 4.364 4.949 -1.623 257 H TYR 22 HN TYR 22 -0.031 2.989 2.417 258 HA TYR 22 HA TYR 22 0.216 0.077 2.247 259 1HB TYR 22 2HB TYR 22 1.181 0.061 0.173 260 2HB TYR 22 3HB TYR 22 -0.138 1.143 -0.145 261 HD1 TYR 22 HD2 TYR 22 0.529 3.762 0.456 262 HD2 TYR 22 HD1 TYR 22 3.203 0.623 -0.839 263 HE1 TYR 22 HE2 TYR 22 2.107 5.450 -0.362 264 HE2 TYR 22 HE1 TYR 22 4.758 2.328 -1.721 265 HH TYR 22 HH TYR 22 3.949 5.813 -1.585 266 QB TYR 22 QB TYR 22 0.522 0.602 0.014 267 QR TYR 22 QR TYR 22 2.649 3.041 -0.617 268 OH TYR 23 OH TYR 23 9.360 0.201 7.121 269 H TYR 23 HN TYR 23 2.677 -0.356 2.155 270 HA TYR 23 HA TYR 23 4.086 1.610 3.921 271 1HB TYR 23 2HB TYR 23 3.881 -0.776 4.676 272 2HB TYR 23 3HB TYR 23 4.871 -1.226 3.301 273 HD1 TYR 23 HD1 TYR 23 7.245 -0.543 3.187 274 HD2 TYR 23 HD2 TYR 23 4.849 0.253 6.661 275 HE1 TYR 23 HE1 TYR 23 9.276 -0.513 4.619 276 HE2 TYR 23 HE2 TYR 23 6.892 0.567 8.008 277 HH TYR 23 HH TYR 23 9.320 0.971 7.701 278 QB TYR 23 QB TYR 23 4.376 -1.001 3.989 279 QR TYR 23 QR TYR 23 7.066 -0.059 5.619 280 H LYS 24 HN LYS 24 5.337 3.051 2.835 281 HA LYS 24 HA LYS 24 6.253 2.377 0.094 282 1HB LYS 24 2HB LYS 24 5.398 4.616 0.720 283 2HB LYS 24 3HB LYS 24 6.797 4.864 1.766 284 1HG LYS 24 2HG LYS 24 8.299 4.582 -0.221 285 2HG LYS 24 3HG LYS 24 6.872 4.290 -1.237 286 1HD LYS 24 2HD LYS 24 6.034 6.582 -0.568 287 2HD LYS 24 3HD LYS 24 7.583 6.859 0.247 288 1HE LYS 24 2HE LYS 24 8.762 6.543 -1.935 289 2HE LYS 24 3HE LYS 24 7.210 6.195 -2.724 290 1HZ LYS 24 3HZ LYS 24 6.504 8.427 -2.188 291 2HZ LYS 24 1HZ LYS 24 7.951 8.763 -1.479 292 3HZ LYS 24 2HZ LYS 24 7.873 8.451 -3.090 293 QB LYS 24 QB LYS 24 6.098 4.740 1.243 294 QG LYS 24 QG LYS 24 7.586 4.436 -0.729 295 QD LYS 24 QD LYS 24 6.808 6.721 -0.160 296 QE LYS 24 QE LYS 24 7.986 6.369 -2.330 297 QZ LYS 24 QZ LYS 24 7.443 8.547 -2.252 298 CH2 TRP 25 CH2 TRP 25 12.079 -4.439 4.324 299 H TRP 25 HN TRP 25 7.558 0.527 0.700 300 HA TRP 25 HA TRP 25 9.552 0.438 2.601 301 1HB TRP 25 2HB TRP 25 8.833 -1.433 1.205 302 2HB TRP 25 3HB TRP 25 9.702 -0.768 -0.180 303 HD1 TRP 25 HD1 TRP 25 12.377 -0.822 -0.076 304 HE1 TRP 25 HE1 TRP 25 14.057 -2.260 1.202 305 HE3 TRP 25 HE3 TRP 25 9.190 -2.934 3.306 306 HZ2 TRP 25 HZ2 TRP 25 14.015 -4.136 3.416 307 HZ3 TRP 25 HZ3 TRP 25 10.027 -4.546 4.984 308 HH2 TRP 25 HH2 TRP 25 12.436 -5.150 5.054 309 QB TRP 25 QB TRP 25 9.267 -1.100 0.513 310 H LYS 26 HN LYS 26 9.769 2.029 -0.515 311 HA LYS 26 HA LYS 26 12.519 2.577 -0.622 312 1HB LYS 26 2HB LYS 26 10.612 3.003 -2.329 313 2HB LYS 26 3HB LYS 26 10.337 4.508 -1.457 314 1HG LYS 26 2HG LYS 26 11.773 5.200 -3.194 315 2HG LYS 26 3HG LYS 26 12.855 4.984 -1.831 316 1HD LYS 26 2HD LYS 26 14.080 3.902 -3.397 317 2HD LYS 26 3HD LYS 26 13.162 2.510 -2.845 318 1HE LYS 26 2HE LYS 26 12.579 4.263 -5.304 319 2HE LYS 26 3HE LYS 26 13.353 2.677 -5.329 320 1HZ LYS 26 2HZ LYS 26 11.320 1.721 -4.493 321 2HZ LYS 26 3HZ LYS 26 10.588 3.199 -4.480 322 3HZ LYS 26 1HZ LYS 26 11.058 2.524 -5.903 323 QB LYS 26 QB LYS 26 10.475 3.756 -1.893 324 QG LYS 26 QG LYS 26 12.314 5.092 -2.513 325 QD LYS 26 QD LYS 26 13.621 3.206 -3.121 326 QE LYS 26 QE LYS 26 12.966 3.470 -5.316 327 QZ LYS 26 QZ LYS 26 10.989 2.481 -4.959 328 H ALA 27 HN ALA 27 9.990 4.104 1.335 329 HA ALA 27 HA ALA 27 11.851 6.164 2.410 330 1HB ALA 27 2HB ALA 27 9.629 6.910 1.661 331 2HB ALA 27 3HB ALA 27 8.852 5.753 2.768 332 3HB ALA 27 1HB ALA 27 9.813 7.096 3.418 333 QB ALA 27 QB ALA 27 9.431 6.586 2.615 334 H LYS 28 HN LYS 28 9.870 3.398 3.291 335 HA LYS 28 HA LYS 28 10.129 1.774 4.769 336 1HB LYS 28 2HB LYS 28 12.122 3.405 6.351 337 2HB LYS 28 3HB LYS 28 11.720 1.717 6.581 338 1HG LYS 28 2HG LYS 28 12.578 1.005 4.533 339 2HG LYS 28 3HG LYS 28 12.799 2.615 3.873 340 1HD LYS 28 2HD LYS 28 14.296 1.815 6.393 341 2HD LYS 28 3HD LYS 28 14.830 1.292 4.797 342 1HE LYS 28 2HE LYS 28 16.035 3.306 5.383 343 2HE LYS 28 3HE LYS 28 15.007 3.578 3.972 344 1HZ LYS 28 2HZ LYS 28 14.368 4.417 6.722 345 2HZ LYS 28 3HZ LYS 28 14.897 5.395 5.511 346 3HZ LYS 28 1HZ LYS 28 13.428 4.685 5.394 347 QB LYS 28 QB LYS 28 11.921 2.561 6.466 348 QG LYS 28 QG LYS 28 12.688 1.810 4.203 349 QD LYS 28 QD LYS 28 14.563 1.554 5.595 350 QE LYS 28 QE LYS 28 15.521 3.442 4.678 351 QZ LYS 28 QZ LYS 28 14.231 4.832 5.876 352 H GLN 29 HN GLN 29 7.999 3.633 4.769 353 HA GLN 29 HA GLN 29 7.004 3.131 7.464 354 1HB GLN 29 2HB GLN 29 7.411 5.962 6.422 355 2HB GLN 29 3HB GLN 29 6.088 5.568 7.519 356 1HG GLN 29 2HG GLN 29 7.835 4.504 9.073 357 2HG GLN 29 3HG GLN 29 9.045 5.380 8.123 358 1HE2 GLN 29 2HE2 GLN 29 7.685 8.628 9.179 359 2HE2 GLN 29 1HE2 GLN 29 8.357 7.844 7.759 360 QB GLN 29 QB GLN 29 6.750 5.765 6.970 361 QG GLN 29 QG GLN 29 8.440 4.942 8.598 362 QE2 GLN 29 QE2 GLN 29 8.021 8.236 8.469 363 H CYS 30 HN CYS 30 4.725 3.717 7.677 364 HA CYS 30 HA CYS 30 3.159 2.815 5.370 365 1HB CYS 30 2HB CYS 30 2.405 3.620 8.186 366 2HB CYS 30 3HB CYS 30 1.289 2.977 6.975 367 QB CYS 30 QB CYS 30 1.847 3.298 7.580 368 H LEU 31 HN LEU 31 1.930 4.121 4.079 369 HA LEU 31 HA LEU 31 1.598 6.992 4.753 370 1HB LEU 31 2HB LEU 31 2.726 5.885 2.152 371 2HB LEU 31 3HB LEU 31 2.383 7.584 2.470 372 HG LEU 31 HG LEU 31 4.553 5.897 3.784 373 1HD1 LEU 31 3HD1 LEU 31 4.803 6.607 1.361 374 2HD1 LEU 31 1HD1 LEU 31 4.761 8.286 1.895 375 3HD1 LEU 31 2HD1 LEU 31 6.074 7.220 2.446 376 1HD2 LEU 31 2HD2 LEU 31 3.740 7.721 5.350 377 2HD2 LEU 31 3HD2 LEU 31 5.386 7.974 4.770 378 3HD2 LEU 31 1HD2 LEU 31 4.037 8.898 4.068 379 QB LEU 31 QB LEU 31 2.555 6.734 2.311 380 QD1 LEU 31 QD1 LEU 31 5.213 7.371 1.901 381 QD2 LEU 31 QD2 LEU 31 4.388 8.198 4.729 382 QQD LEU 31 QQD LEU 31 4.800 7.784 3.315 383 HA PRO 32 HA PRO 32 -2.286 6.123 2.620 384 1HB PRO 32 2HB PRO 32 -3.163 8.616 2.020 385 2HB PRO 32 3HB PRO 32 -3.072 8.022 3.703 386 1HG PRO 32 2HG PRO 32 -1.023 9.706 2.222 387 2HG PRO 32 3HG PRO 32 -1.736 10.031 3.831 388 1HD PRO 32 2HD PRO 32 0.674 8.800 3.535 389 2HD PRO 32 3HD PRO 32 -0.452 8.309 4.834 390 QB PRO 32 QB PRO 32 -3.118 8.319 2.862 391 QG PRO 32 QG PRO 32 -1.380 9.868 3.027 392 QD PRO 32 QD PRO 32 0.111 8.555 4.184 393 H PHE 33 HN PHE 33 -3.215 6.276 0.424 394 HA PHE 33 HA PHE 33 -2.051 7.829 -1.653 395 1HB PHE 33 2HB PHE 33 -1.133 6.188 -3.068 396 2HB PHE 33 3HB PHE 33 -0.348 5.922 -1.528 397 HD1 PHE 33 2HD PHE 33 -1.872 4.188 0.062 398 HD2 PHE 33 1HD PHE 33 -1.639 4.214 -4.246 399 HE1 PHE 33 2HE PHE 33 -2.470 1.786 -0.013 400 HE2 PHE 33 1HE PHE 33 -1.979 1.760 -4.271 401 HZ PHE 33 HZ PHE 33 -2.360 0.555 -2.101 402 QB PHE 33 QB PHE 33 -0.740 6.055 -2.298 403 QR PHE 33 QR PHE 33 -1.990 2.987 -2.117 404 H ASP 34 HN ASP 34 -3.150 6.910 -3.847 405 HA ASP 34 HA ASP 34 -5.862 5.812 -3.238 406 1HB ASP 34 2HB ASP 34 -4.908 7.887 -5.184 407 2HB ASP 34 3HB ASP 34 -5.905 6.595 -5.860 408 QB ASP 34 QB ASP 34 -5.406 7.241 -5.522 409 OH TYR 35 OH TYR 35 -5.282 -3.747 -7.129 410 H TYR 35 HN TYR 35 -6.017 3.731 -3.776 411 HA TYR 35 HA TYR 35 -4.082 2.497 -5.667 412 1HB TYR 35 2HB TYR 35 -4.661 1.280 -3.631 413 2HB TYR 35 3HB TYR 35 -6.369 1.416 -4.009 414 HD1 TYR 35 HD1 TYR 35 -3.426 0.299 -6.125 415 HD2 TYR 35 HD2 TYR 35 -6.924 -0.860 -4.036 416 HE1 TYR 35 HE1 TYR 35 -3.457 -1.830 -7.408 417 HE2 TYR 35 HE2 TYR 35 -7.046 -2.991 -5.319 418 HH TYR 35 HH TYR 35 -6.174 -4.095 -7.262 419 QB TYR 35 QB TYR 35 -5.515 1.348 -3.820 420 QR TYR 35 QR TYR 35 -5.213 -1.345 -5.722 421 H SER 36 HN SER 36 -5.034 1.336 -7.576 422 HA SER 36 HA SER 36 -7.314 2.822 -8.717 423 1HB SER 36 2HB SER 36 -6.924 1.569 -10.689 424 2HB SER 36 3HB SER 36 -5.387 2.243 -10.134 425 HG SER 36 HG SER 36 -4.728 0.253 -9.497 426 QB SER 36 QB SER 36 -6.155 1.906 -10.411 427 H GLY 37 HN GLY 37 -6.545 -0.594 -8.408 428 1HA GLY 37 1HA GLY 37 -8.597 -1.782 -6.964 429 2HA GLY 37 2HA GLY 37 -9.345 -1.360 -8.511 430 QA GLY 37 QA GLY 37 -8.971 -1.571 -7.737 431 H CYS 38 HN CYS 38 -7.024 -1.576 -10.158 432 HA CYS 38 HA CYS 38 -7.110 -4.513 -10.551 433 1HB CYS 38 2HB CYS 38 -6.096 -2.322 -12.360 434 2HB CYS 38 3HB CYS 38 -6.484 -3.972 -12.837 435 QB CYS 38 QB CYS 38 -6.290 -3.147 -12.599 436 H GLY 39 HN GLY 39 -5.172 -5.695 -10.875 437 1HA GLY 39 1HA GLY 39 -2.963 -6.249 -10.883 438 2HA GLY 39 2HA GLY 39 -2.739 -4.640 -11.585 439 QA GLY 39 QA GLY 39 -2.851 -5.444 -11.234 440 H GLY 40 HN GLY 40 -3.898 -4.841 -8.262 441 1HA GLY 40 1HA GLY 40 -1.672 -3.523 -7.100 442 2HA GLY 40 2HA GLY 40 -2.940 -4.352 -6.269 443 QA GLY 40 QA GLY 40 -2.306 -3.938 -6.685 444 H ASN 41 HN ASN 41 -0.854 -4.599 -4.950 445 HA ASN 41 HA ASN 41 0.240 -7.354 -5.356 446 1HB ASN 41 2HB ASN 41 2.258 -6.505 -4.175 447 2HB ASN 41 3HB ASN 41 1.998 -5.734 -5.738 448 1HD2 ASN 41 2HD2 ASN 41 2.687 -2.715 -3.966 449 2HD2 ASN 41 1HD2 ASN 41 3.318 -3.917 -5.062 450 QB ASN 41 QB ASN 41 2.128 -6.119 -4.957 451 QD2 ASN 41 QD2 ASN 41 3.002 -3.316 -4.514 452 H ALA 42 HN ALA 42 1.331 -7.378 -2.576 453 HA ALA 42 HA ALA 42 -1.273 -7.517 -1.067 454 1HB ALA 42 3HB ALA 42 1.514 -8.546 -0.451 455 2HB ALA 42 1HB ALA 42 0.107 -8.743 0.604 456 3HB ALA 42 2HB ALA 42 0.143 -9.515 -0.992 457 QB ALA 42 QB ALA 42 0.588 -8.935 -0.280 458 H ASN 43 HN ASN 43 0.871 -5.070 -1.629 459 HA ASN 43 HA ASN 43 0.819 -4.062 1.127 460 1HB ASN 43 2HB ASN 43 2.719 -3.867 -0.725 461 2HB ASN 43 3HB ASN 43 1.790 -2.444 -1.236 462 1HD2 ASN 43 2HD2 ASN 43 4.396 -1.219 1.032 463 2HD2 ASN 43 1HD2 ASN 43 4.352 -2.045 -0.483 464 QB ASN 43 QB ASN 43 2.255 -3.155 -0.981 465 QD2 ASN 43 QD2 ASN 43 4.374 -1.632 0.275 466 NH1 ARG 44 NH2 ARG 44 -2.052 -3.910 -2.737 467 NH2 ARG 44 NH1 ARG 44 -3.700 -5.036 -3.890 468 H ARG 44 HN ARG 44 -1.629 -4.209 1.122 469 HA ARG 44 HA ARG 44 -2.471 -1.403 0.659 470 1HB ARG 44 2HB ARG 44 -3.712 -3.627 -0.812 471 2HB ARG 44 3HB ARG 44 -4.835 -2.922 0.298 472 1HG ARG 44 2HG ARG 44 -5.390 -1.571 -1.314 473 2HG ARG 44 3HG ARG 44 -4.062 -0.590 -0.715 474 1HD ARG 44 2HD ARG 44 -4.094 -0.749 -3.123 475 2HD ARG 44 3HD ARG 44 -2.623 -1.443 -2.557 476 HE ARG 44 HE ARG 44 -4.844 -2.804 -3.886 477 1HH1 ARG 44 2HH2 ARG 44 -1.662 -3.089 -2.271 478 2HH1 ARG 44 1HH2 ARG 44 -1.538 -4.782 -2.685 479 1HH2 ARG 44 2HH1 ARG 44 -4.605 -5.097 -4.329 480 2HH2 ARG 44 1HH1 ARG 44 -3.120 -5.873 -3.802 481 QB ARG 44 QB ARG 44 -4.274 -3.274 -0.257 482 QG ARG 44 QG ARG 44 -4.726 -1.080 -1.014 483 QD ARG 44 QD ARG 44 -3.358 -1.096 -2.840 484 QH1 ARG 44 QH2 ARG 44 -1.600 -3.936 -2.478 485 QH2 ARG 44 QH1 ARG 44 -3.863 -5.485 -4.066 486 H PHE 45 HN PHE 45 -3.497 -0.610 2.420 487 HA PHE 45 HA PHE 45 -4.945 -2.410 4.305 488 1HB PHE 45 2HB PHE 45 -2.933 -0.263 5.064 489 2HB PHE 45 3HB PHE 45 -3.912 -1.210 6.174 490 HD1 PHE 45 2HD PHE 45 -3.524 -3.665 6.443 491 HD2 PHE 45 1HD PHE 45 -1.002 -1.262 3.903 492 HE1 PHE 45 2HE PHE 45 -2.045 -5.606 6.068 493 HE2 PHE 45 1HE PHE 45 0.477 -3.209 3.533 494 HZ PHE 45 HZ PHE 45 -0.168 -5.423 4.487 495 QB PHE 45 QB PHE 45 -3.423 -0.737 5.619 496 QR PHE 45 QR PHE 45 -1.524 -3.435 4.987 497 H LYS 46 HN LYS 46 -6.803 -1.470 5.064 498 HA LYS 46 HA LYS 46 -7.642 1.074 3.880 499 1HB LYS 46 2HB LYS 46 -9.700 0.760 5.101 500 2HB LYS 46 3HB LYS 46 -9.263 -0.646 4.113 501 1HG LYS 46 2HG LYS 46 -8.770 -1.992 6.030 502 2HG LYS 46 3HG LYS 46 -8.552 -0.584 7.062 503 1HD LYS 46 2HD LYS 46 -10.535 -1.538 7.768 504 2HD LYS 46 3HD LYS 46 -10.999 -0.075 6.917 505 1HE LYS 46 2HE LYS 46 -11.126 -2.943 5.816 506 2HE LYS 46 3HE LYS 46 -12.483 -2.048 6.506 507 1HZ LYS 46 1HZ LYS 46 -12.207 -0.417 4.727 508 2HZ LYS 46 2HZ LYS 46 -11.054 -1.366 4.036 509 3HZ LYS 46 3HZ LYS 46 -12.591 -1.919 4.175 510 QB LYS 46 QB LYS 46 -9.481 0.057 4.607 511 QG LYS 46 QG LYS 46 -8.661 -1.288 6.546 512 QD LYS 46 QD LYS 46 -10.767 -0.806 7.342 513 QE LYS 46 QE LYS 46 -11.805 -2.496 6.161 514 QZ LYS 46 QZ LYS 46 -11.951 -1.234 4.313 515 H THR 47 HN THR 47 -5.995 0.087 6.782 516 HA THR 47 HA THR 47 -6.156 2.867 7.839 517 HB THR 47 HB THR 47 -6.119 1.764 10.114 518 HG1 THR 47 1HG THR 47 -5.773 -0.410 9.265 519 1HG2 THR 47 1HG2 THR 47 -8.117 2.941 9.271 520 2HG2 THR 47 2HG2 THR 47 -8.657 1.474 8.432 521 3HG2 THR 47 3HG2 THR 47 -8.569 1.499 10.202 522 QG2 THR 47 QG2 THR 47 -8.448 1.971 9.302 523 H ILE 48 HN ILE 48 -4.455 3.680 8.763 524 HA ILE 48 HA ILE 48 -1.840 2.831 8.044 525 HB ILE 48 HB ILE 48 -2.692 5.190 8.789 526 1HG1 ILE 48 2HG1 ILE 48 -0.501 5.726 10.025 527 2HG1 ILE 48 3HG1 ILE 48 -0.063 4.025 9.794 528 1HG2 ILE 48 2HG2 ILE 48 -3.680 4.347 10.971 529 2HG2 ILE 48 3HG2 ILE 48 -2.015 4.116 11.563 530 3HG2 ILE 48 1HG2 ILE 48 -2.584 5.733 11.134 531 1HD1 ILE 48 3HD1 ILE 48 -0.368 4.397 7.308 532 2HD1 ILE 48 1HD1 ILE 48 -0.715 6.106 7.664 533 3HD1 ILE 48 2HD1 ILE 48 0.875 5.431 8.052 534 QG1 ILE 48 QG1 ILE 48 -0.282 4.876 9.910 535 QG2 ILE 48 QG2 ILE 48 -2.760 4.732 11.223 536 QD1 ILE 48 QD1 ILE 48 -0.069 5.311 7.675 537 H GLU 49 HN GLU 49 -3.805 2.172 10.908 538 HA GLU 49 HA GLU 49 -1.639 1.120 12.407 539 1HB GLU 49 2HB GLU 49 -4.299 1.841 12.926 540 2HB GLU 49 3HB GLU 49 -4.415 0.079 12.963 541 1HG GLU 49 2HG GLU 49 -3.993 1.023 15.196 542 2HG GLU 49 3HG GLU 49 -2.604 0.049 14.683 543 QB GLU 49 QB GLU 49 -4.357 0.960 12.945 544 QG GLU 49 QG GLU 49 -3.298 0.536 14.939 545 H GLU 50 HN GLU 50 -3.740 -0.366 10.003 546 HA GLU 50 HA GLU 50 -2.874 -3.057 10.810 547 1HB GLU 50 2HB GLU 50 -4.407 -2.122 8.371 548 2HB GLU 50 3HB GLU 50 -4.063 -3.811 8.802 549 1HG GLU 50 2HG GLU 50 -5.572 -1.865 10.628 550 2HG GLU 50 3HG GLU 50 -6.348 -3.040 9.568 551 QB GLU 50 QB GLU 50 -4.235 -2.966 8.587 552 QG GLU 50 QG GLU 50 -5.960 -2.453 10.098 553 H CYS 51 HN CYS 51 -1.976 -0.647 8.311 554 HA CYS 51 HA CYS 51 0.134 -2.239 7.189 555 1HB CYS 51 2HB CYS 51 -0.515 -0.198 6.039 556 2HB CYS 51 3HB CYS 51 -0.081 0.801 7.428 557 QB CYS 51 QB CYS 51 -0.298 0.301 6.733 558 NH1 ARG 52 NH2 ARG 52 -0.125 4.089 14.276 559 NH2 ARG 52 NH1 ARG 52 0.636 5.362 12.522 560 H ARG 52 HN ARG 52 0.173 0.189 9.844 561 HA ARG 52 HA ARG 52 2.836 -0.064 10.547 562 1HB ARG 52 2HB ARG 52 1.118 1.544 11.428 563 2HB ARG 52 3HB ARG 52 0.567 0.280 12.543 564 1HG ARG 52 2HG ARG 52 2.816 0.199 13.562 565 2HG ARG 52 3HG ARG 52 3.420 1.384 12.392 566 1HD ARG 52 2HD ARG 52 1.176 1.822 14.385 567 2HD ARG 52 3HD ARG 52 2.828 2.392 14.611 568 HE ARG 52 HE ARG 52 2.421 3.618 12.345 569 1HH1 ARG 52 2HH2 ARG 52 -0.093 3.237 14.846 570 2HH1 ARG 52 1HH2 ARG 52 -1.118 4.325 14.162 571 1HH2 ARG 52 2HH1 ARG 52 1.310 5.568 11.802 572 2HH2 ARG 52 1HH1 ARG 52 -0.115 6.014 12.691 573 QB ARG 52 QB ARG 52 0.842 0.912 11.986 574 QG ARG 52 QG ARG 52 3.118 0.791 12.977 575 QD ARG 52 QD ARG 52 2.002 2.107 14.498 576 QH1 ARG 52 QH2 ARG 52 -0.605 3.781 14.504 577 QH2 ARG 52 QH1 ARG 52 0.598 5.791 12.247 578 NH1 ARG 53 NH2 ARG 53 -3.526 -3.271 14.047 579 NH2 ARG 53 NH1 ARG 53 -4.308 -3.520 16.222 580 H ARG 53 HN ARG 53 0.093 -2.047 11.757 581 HA ARG 53 HA ARG 53 1.642 -3.807 13.376 582 1HB ARG 53 2HB ARG 53 -1.096 -3.813 12.219 583 2HB ARG 53 3HB ARG 53 -0.397 -5.409 12.289 584 1HG ARG 53 2HG ARG 53 -1.537 -5.177 14.286 585 2HG ARG 53 3HG ARG 53 0.166 -5.091 14.706 586 1HD ARG 53 2HD ARG 53 0.023 -2.976 15.523 587 2HD ARG 53 3HD ARG 53 -0.960 -2.390 14.202 588 HE ARG 53 HE ARG 53 -1.856 -3.206 16.799 589 1HH1 ARG 53 2HH2 ARG 53 -2.751 -3.087 13.429 590 2HH1 ARG 53 1HH2 ARG 53 -4.444 -3.409 13.606 591 1HH2 ARG 53 2HH1 ARG 53 -4.142 -3.569 17.217 592 2HH2 ARG 53 1HH1 ARG 53 -5.252 -3.632 15.881 593 QB ARG 53 QB ARG 53 -0.746 -4.611 12.254 594 QG ARG 53 QG ARG 53 -0.685 -5.134 14.496 595 QD ARG 53 QD ARG 53 -0.469 -2.683 14.862 596 QH1 ARG 53 QH2 ARG 53 -3.598 -3.248 13.518 597 QH2 ARG 53 QH1 ARG 53 -4.697 -3.601 16.549 598 H THR 54 HN THR 54 0.902 -3.949 9.877 599 HA THR 54 HA THR 54 1.812 -6.635 9.532 600 HB THR 54 HB THR 54 1.567 -4.348 7.523 601 HG1 THR 54 1HG THR 54 -0.366 -4.928 8.526 602 1HG2 THR 54 2HG2 THR 54 1.920 -7.351 7.128 603 2HG2 THR 54 3HG2 THR 54 1.394 -6.220 5.875 604 3HG2 THR 54 1HG2 THR 54 3.010 -6.060 6.563 605 QG2 THR 54 QG2 THR 54 2.108 -6.543 6.522 606 H CYS 55 HN CYS 55 3.449 -3.492 9.247 607 HA CYS 55 HA CYS 55 5.933 -4.959 8.421 608 1HB CYS 55 2HB CYS 55 4.731 -3.417 6.875 609 2HB CYS 55 3HB CYS 55 5.374 -2.077 7.825 610 QB CYS 55 QB CYS 55 5.053 -2.747 7.350 611 H VAL 56 HN VAL 56 4.789 -2.473 10.629 612 HA VAL 56 HA VAL 56 7.462 -2.240 11.922 613 HB VAL 56 HB VAL 56 4.938 -0.582 12.380 614 1HG1 VAL 56 3HG1 VAL 56 7.792 -0.295 13.358 615 2HG1 VAL 56 1HG1 VAL 56 6.723 1.107 13.197 616 3HG1 VAL 56 2HG1 VAL 56 6.267 -0.186 14.278 617 1HG2 VAL 56 1HG2 VAL 56 7.341 0.018 10.616 618 2HG2 VAL 56 2HG2 VAL 56 5.666 -0.221 10.066 619 3HG2 VAL 56 3HG2 VAL 56 6.070 1.183 11.041 620 QG1 VAL 56 QG1 VAL 56 6.927 0.209 13.611 621 QG2 VAL 56 QG2 VAL 56 6.359 0.327 10.574 622 QQG VAL 56 QQG VAL 56 6.643 0.268 12.093 623 H GLY 57 HN GLY 57 6.726 -1.991 14.632 624 1HA GLY 57 1HA GLY 57 4.576 -3.612 15.451 625 2HA GLY 57 2HA GLY 57 6.131 -4.469 15.628 626 QA GLY 57 QA GLY 57 5.353 -4.040 15.539 Start of MODEL 3 Raw file had 626 H/Q atoms Start of MODEL 3 1 H ALA 1 HN ALA 1 9.641 -6.815 10.268 2 HA ALA 1 HA ALA 1 7.299 -6.579 9.354 3 1HB ALA 1 2HB ALA 1 9.172 -5.026 8.668 4 2HB ALA 1 3HB ALA 1 9.618 -6.177 7.391 5 3HB ALA 1 1HB ALA 1 8.049 -5.347 7.334 6 QB ALA 1 QB ALA 1 8.947 -5.517 7.798 7 H ALA 2 HN ALA 2 6.094 -7.005 7.186 8 HA ALA 2 HA ALA 2 6.231 -9.867 6.647 9 1HB ALA 2 1HB ALA 2 4.079 -8.662 6.868 10 2HB ALA 2 2HB ALA 2 4.464 -7.716 5.410 11 3HB ALA 2 3HB ALA 2 4.246 -9.474 5.301 12 QB ALA 2 QB ALA 2 4.263 -8.618 5.859 13 H LYS 3 HN LYS 3 6.623 -10.817 4.593 14 HA LYS 3 HA LYS 3 8.882 -9.825 3.301 15 1HB LYS 3 2HB LYS 3 7.452 -12.213 3.295 16 2HB LYS 3 3HB LYS 3 7.226 -11.671 1.639 17 1HG LYS 3 2HG LYS 3 9.859 -12.064 3.114 18 2HG LYS 3 3HG LYS 3 9.157 -13.144 1.895 19 1HD LYS 3 2HD LYS 3 9.268 -11.255 0.219 20 2HD LYS 3 3HD LYS 3 10.160 -10.289 1.395 21 1HE LYS 3 2HE LYS 3 11.017 -12.941 0.134 22 2HE LYS 3 3HE LYS 3 11.705 -11.342 -0.172 23 1HZ LYS 3 3HZ LYS 3 12.415 -11.318 2.165 24 2HZ LYS 3 1HZ LYS 3 11.870 -12.862 2.346 25 3HZ LYS 3 2HZ LYS 3 13.096 -12.543 1.306 26 QB LYS 3 QB LYS 3 7.339 -11.942 2.467 27 QG LYS 3 QG LYS 3 9.508 -12.604 2.504 28 QD LYS 3 QD LYS 3 9.714 -10.772 0.807 29 QE LYS 3 QE LYS 3 11.361 -12.142 -0.019 30 QZ LYS 3 QZ LYS 3 12.460 -12.241 1.939 31 OH TYR 4 OH TYR 4 0.625 -8.682 5.051 32 H TYR 4 HN TYR 4 5.464 -9.765 2.158 33 HA TYR 4 HA TYR 4 5.976 -8.509 -0.325 34 1HB TYR 4 2HB TYR 4 3.558 -7.994 -0.232 35 2HB TYR 4 3HB TYR 4 3.982 -9.689 0.046 36 HD1 TYR 4 HD2 TYR 4 2.962 -6.530 1.816 37 HD2 TYR 4 HD1 TYR 4 3.098 -10.844 1.906 38 HE1 TYR 4 HE2 TYR 4 1.519 -6.542 3.817 39 HE2 TYR 4 HE1 TYR 4 1.600 -10.847 3.867 40 HH TYR 4 HH TYR 4 0.314 -9.554 5.303 41 QB TYR 4 QB TYR 4 3.770 -8.841 -0.093 42 QR TYR 4 QR TYR 4 2.295 -8.691 2.851 43 H CYS 5 HN CYS 5 6.038 -7.180 2.837 44 HA CYS 5 HA CYS 5 5.056 -4.585 2.375 45 1HB CYS 5 2HB CYS 5 5.879 -5.807 4.547 46 2HB CYS 5 3HB CYS 5 7.404 -4.975 4.243 47 QB CYS 5 QB CYS 5 6.642 -5.391 4.395 48 H LYS 6 HN LYS 6 7.957 -6.061 1.184 49 HA LYS 6 HA LYS 6 9.457 -3.733 0.645 50 1HB LYS 6 2HB LYS 6 10.229 -6.111 0.891 51 2HB LYS 6 3HB LYS 6 9.569 -6.454 -0.720 52 1HG LYS 6 2HG LYS 6 11.116 -4.946 -1.758 53 2HG LYS 6 3HG LYS 6 11.434 -4.135 -0.232 54 1HD LYS 6 2HD LYS 6 13.396 -5.359 -0.591 55 2HD LYS 6 3HD LYS 6 12.511 -6.158 0.697 56 1HE LYS 6 2HE LYS 6 13.427 -7.848 -0.794 57 2HE LYS 6 3HE LYS 6 11.662 -7.866 -0.930 58 1HZ LYS 6 2HZ LYS 6 13.508 -6.539 -2.820 59 2HZ LYS 6 3HZ LYS 6 12.775 -7.985 -3.068 60 3HZ LYS 6 1HZ LYS 6 11.870 -6.620 -2.971 61 QB LYS 6 QB LYS 6 9.899 -6.283 0.085 62 QG LYS 6 QG LYS 6 11.275 -4.541 -0.995 63 QD LYS 6 QD LYS 6 12.954 -5.758 0.053 64 QE LYS 6 QE LYS 6 12.545 -7.857 -0.862 65 QZ LYS 6 QZ LYS 6 12.718 -7.048 -2.953 66 H LEU 7 HN LEU 7 6.588 -4.929 -0.922 67 HA LEU 7 HA LEU 7 7.278 -4.290 -3.588 68 1HB LEU 7 2HB LEU 7 4.643 -4.498 -2.151 69 2HB LEU 7 3HB LEU 7 4.765 -4.231 -3.891 70 HG LEU 7 HG LEU 7 6.315 -6.546 -2.766 71 1HD1 LEU 7 1HD1 LEU 7 3.584 -6.440 -2.127 72 2HD1 LEU 7 2HD1 LEU 7 3.669 -7.425 -3.606 73 3HD1 LEU 7 3HD1 LEU 7 4.636 -7.870 -2.220 74 1HD2 LEU 7 3HD2 LEU 7 4.668 -6.103 -5.307 75 2HD2 LEU 7 1HD2 LEU 7 6.434 -5.941 -5.182 76 3HD2 LEU 7 2HD2 LEU 7 5.664 -7.528 -4.962 77 QB LEU 7 QB LEU 7 4.704 -4.365 -3.021 78 QD1 LEU 7 QD1 LEU 7 3.963 -7.245 -2.651 79 QD2 LEU 7 QD2 LEU 7 5.588 -6.524 -5.150 80 QQD LEU 7 QQD LEU 7 4.776 -6.885 -3.901 81 HA PRO 8 HA PRO 8 7.154 0.160 -3.415 82 1HB PRO 8 2HB PRO 8 7.342 0.796 -6.055 83 2HB PRO 8 3HB PRO 8 8.599 -0.159 -5.230 84 1HG PRO 8 2HG PRO 8 6.252 -1.233 -6.834 85 2HG PRO 8 3HG PRO 8 7.990 -1.574 -7.096 86 1HD PRO 8 2HD PRO 8 6.445 -3.245 -5.601 87 2HD PRO 8 3HD PRO 8 8.128 -2.865 -5.120 88 QB PRO 8 QB PRO 8 7.971 0.318 -5.643 89 QG PRO 8 QG PRO 8 7.121 -1.404 -6.965 90 QD PRO 8 QD PRO 8 7.287 -3.055 -5.361 91 H LEU 9 HN LEU 9 6.057 2.084 -4.892 92 HA LEU 9 HA LEU 9 3.362 2.049 -3.989 93 1HB LEU 9 2HB LEU 9 4.641 4.107 -4.032 94 2HB LEU 9 3HB LEU 9 4.763 4.050 -5.789 95 HG LEU 9 HG LEU 9 2.415 4.412 -6.078 96 1HD1 LEU 9 1HD1 LEU 9 2.090 4.035 -3.075 97 2HD1 LEU 9 2HD1 LEU 9 0.865 4.756 -4.117 98 3HD1 LEU 9 3HD1 LEU 9 1.341 3.079 -4.361 99 1HD2 LEU 9 1HD2 LEU 9 3.805 6.397 -5.550 100 2HD2 LEU 9 2HD2 LEU 9 2.124 6.604 -5.029 101 3HD2 LEU 9 3HD2 LEU 9 3.381 6.227 -3.832 102 QB LEU 9 QB LEU 9 4.702 4.078 -4.911 103 QD1 LEU 9 QD1 LEU 9 1.432 3.957 -3.851 104 QD2 LEU 9 QD2 LEU 9 3.103 6.410 -4.804 105 QQD LEU 9 QQD LEU 9 2.268 5.183 -4.328 106 NH1 ARG 10 NH2 ARG 10 3.520 -4.480 -10.758 107 NH2 ARG 10 NH1 ARG 10 1.444 -5.034 -11.619 108 H ARG 10 HN ARG 10 2.579 0.205 -5.018 109 HA ARG 10 HA ARG 10 2.321 0.220 -7.910 110 1HB ARG 10 2HB ARG 10 2.995 -1.757 -6.508 111 2HB ARG 10 3HB ARG 10 1.383 -1.744 -5.805 112 1HG ARG 10 2HG ARG 10 1.490 -3.484 -7.441 113 2HG ARG 10 3HG ARG 10 0.401 -2.215 -8.002 114 1HD ARG 10 2HD ARG 10 2.141 -1.381 -9.545 115 2HD ARG 10 3HD ARG 10 3.271 -2.593 -8.926 116 HE ARG 10 HE ARG 10 0.592 -3.270 -10.119 117 1HH1 ARG 10 2HH2 ARG 10 4.094 -3.906 -10.162 118 2HH1 ARG 10 1HH2 ARG 10 3.964 -5.210 -11.295 119 1HH2 ARG 10 2HH1 ARG 10 0.446 -4.881 -11.653 120 2HH2 ARG 10 1HH1 ARG 10 1.842 -5.766 -12.188 121 QB ARG 10 QB ARG 10 2.189 -1.750 -6.157 122 QG ARG 10 QG ARG 10 0.946 -2.850 -7.721 123 QD ARG 10 QD ARG 10 2.706 -1.987 -9.236 124 QH1 ARG 10 QH2 ARG 10 4.029 -4.558 -10.728 125 QH2 ARG 10 QH1 ARG 10 1.144 -5.324 -11.921 126 H ILE 11 HN ILE 11 0.988 2.151 -7.947 127 HA ILE 11 HA ILE 11 -1.630 2.289 -6.874 128 HB ILE 11 HB ILE 11 -0.624 3.574 -9.451 129 1HG1 ILE 11 2HG1 ILE 11 -0.398 4.361 -6.517 130 2HG1 ILE 11 3HG1 ILE 11 0.893 4.138 -7.709 131 1HG2 ILE 11 3HG2 ILE 11 -2.951 4.228 -7.600 132 2HG2 ILE 11 1HG2 ILE 11 -2.420 5.258 -8.946 133 3HG2 ILE 11 2HG2 ILE 11 -3.068 3.664 -9.274 134 1HD1 ILE 11 3HD1 ILE 11 -0.005 6.124 -8.974 135 2HD1 ILE 11 1HD1 ILE 11 -1.069 6.434 -7.573 136 3HD1 ILE 11 2HD1 ILE 11 0.688 6.462 -7.375 137 QG1 ILE 11 QG1 ILE 11 0.248 4.249 -7.113 138 QG2 ILE 11 QG2 ILE 11 -2.813 4.383 -8.607 139 QD1 ILE 11 QD1 ILE 11 -0.129 6.340 -7.974 140 H GLY 12 HN GLY 12 -0.407 0.820 -9.832 141 1HA GLY 12 1HA GLY 12 -1.309 -0.891 -11.070 142 2HA GLY 12 2HA GLY 12 -2.845 -0.788 -10.217 143 QA GLY 12 QA GLY 12 -2.077 -0.839 -10.643 144 HA PRO 13 HA PRO 13 -2.649 2.181 -13.998 145 1HB PRO 13 2HB PRO 13 -2.523 0.825 -16.327 146 2HB PRO 13 3HB PRO 13 -1.094 0.962 -15.272 147 1HG PRO 13 2HG PRO 13 -3.070 -1.347 -15.368 148 2HG PRO 13 3HG PRO 13 -1.291 -1.431 -15.548 149 1HD PRO 13 2HD PRO 13 -2.545 -1.809 -13.108 150 2HD PRO 13 3HD PRO 13 -0.948 -1.006 -13.261 151 QB PRO 13 QB PRO 13 -1.808 0.893 -15.799 152 QG PRO 13 QG PRO 13 -2.181 -1.389 -15.458 153 QD PRO 13 QD PRO 13 -1.746 -1.408 -13.185 154 H CYS 14 HN CYS 14 -4.947 1.017 -12.481 155 HA CYS 14 HA CYS 14 -6.988 0.652 -14.628 156 1HB CYS 14 2HB CYS 14 -6.744 -0.276 -11.862 157 2HB CYS 14 3HB CYS 14 -8.269 0.532 -12.182 158 QB CYS 14 QB CYS 14 -7.506 0.128 -12.022 159 H LYS 15 HN LYS 15 -9.096 1.842 -14.063 160 HA LYS 15 HA LYS 15 -8.339 4.726 -14.070 161 1HB LYS 15 2HB LYS 15 -9.197 3.563 -16.193 162 2HB LYS 15 3HB LYS 15 -10.743 3.410 -15.373 163 1HG LYS 15 2HG LYS 15 -10.300 6.110 -15.007 164 2HG LYS 15 3HG LYS 15 -9.226 5.825 -16.365 165 1HD LYS 15 2HD LYS 15 -11.125 6.417 -17.492 166 2HD LYS 15 3HD LYS 15 -11.334 4.668 -17.480 167 1HE LYS 15 2HE LYS 15 -12.614 6.754 -15.626 168 2HE LYS 15 3HE LYS 15 -13.436 5.826 -16.887 169 1HZ LYS 15 2HZ LYS 15 -12.977 3.831 -15.588 170 2HZ LYS 15 3HZ LYS 15 -12.279 4.734 -14.402 171 3HZ LYS 15 1HZ LYS 15 -13.876 4.918 -14.737 172 QB LYS 15 QB LYS 15 -9.970 3.487 -15.783 173 QG LYS 15 QG LYS 15 -9.763 5.967 -15.686 174 QD LYS 15 QD LYS 15 -11.230 5.542 -17.486 175 QE LYS 15 QE LYS 15 -13.025 6.290 -16.257 176 QZ LYS 15 QZ LYS 15 -13.044 4.494 -14.909 177 NH1 ARG 16 NH2 ARG 16 -15.256 2.046 -7.341 178 NH2 ARG 16 NH1 ARG 16 -16.492 3.284 -8.860 179 H ARG 16 HN ARG 16 -8.602 3.619 -11.713 180 HA ARG 16 HA ARG 16 -11.110 4.691 -10.538 181 1HB ARG 16 2HB ARG 16 -9.894 1.952 -10.337 182 2HB ARG 16 3HB ARG 16 -10.441 2.653 -8.827 183 1HG ARG 16 2HG ARG 16 -12.400 2.910 -11.041 184 2HG ARG 16 3HG ARG 16 -12.029 1.251 -10.562 185 1HD ARG 16 2HD ARG 16 -12.909 1.410 -8.502 186 2HD ARG 16 3HD ARG 16 -12.474 3.115 -8.255 187 HE ARG 16 HE ARG 16 -14.320 3.411 -10.115 188 1HH1 ARG 16 2HH2 ARG 16 -14.375 1.645 -7.056 189 2HH1 ARG 16 1HH2 ARG 16 -16.060 1.913 -6.747 190 1HH2 ARG 16 2HH1 ARG 16 -16.560 3.812 -9.719 191 2HH2 ARG 16 1HH1 ARG 16 -17.321 3.197 -8.290 192 QB ARG 16 QB ARG 16 -10.168 2.303 -9.582 193 QG ARG 16 QG ARG 16 -12.215 2.080 -10.801 194 QD ARG 16 QD ARG 16 -12.691 2.263 -8.378 195 QH1 ARG 16 QH2 ARG 16 -15.218 1.779 -6.902 196 QH2 ARG 16 QH1 ARG 16 -16.941 3.505 -9.005 197 H LYS 17 HN LYS 17 -10.845 4.889 -8.088 198 HA LYS 17 HA LYS 17 -8.182 5.432 -7.072 199 1HB LYS 17 2HB LYS 17 -8.547 7.759 -6.553 200 2HB LYS 17 3HB LYS 17 -8.549 7.474 -8.289 201 1HG LYS 17 2HG LYS 17 -11.109 7.520 -8.175 202 2HG LYS 17 3HG LYS 17 -10.914 8.049 -6.485 203 1HD LYS 17 2HD LYS 17 -9.505 9.978 -7.301 204 2HD LYS 17 3HD LYS 17 -9.808 9.453 -8.958 205 1HE LYS 17 2HE LYS 17 -11.337 11.256 -8.468 206 2HE LYS 17 3HE LYS 17 -12.271 9.760 -8.607 207 1HZ LYS 17 3HZ LYS 17 -11.420 11.029 -6.079 208 2HZ LYS 17 1HZ LYS 17 -12.938 11.081 -6.712 209 3HZ LYS 17 2HZ LYS 17 -12.310 9.652 -6.195 210 QB LYS 17 QB LYS 17 -8.548 7.617 -7.421 211 QG LYS 17 QG LYS 17 -11.011 7.784 -7.330 212 QD LYS 17 QD LYS 17 -9.656 9.715 -8.129 213 QE LYS 17 QE LYS 17 -11.804 10.508 -8.537 214 QZ LYS 17 QZ LYS 17 -12.223 10.587 -6.329 215 H ILE 18 HN ILE 18 -8.461 4.165 -5.290 216 HA ILE 18 HA ILE 18 -10.747 4.738 -3.468 217 HB ILE 18 HB ILE 18 -9.304 2.098 -3.950 218 1HG1 ILE 18 2HG1 ILE 18 -12.014 1.626 -4.204 219 2HG1 ILE 18 3HG1 ILE 18 -11.890 3.266 -4.859 220 1HG2 ILE 18 3HG2 ILE 18 -11.446 2.800 -1.908 221 2HG2 ILE 18 1HG2 ILE 18 -10.863 1.161 -2.291 222 3HG2 ILE 18 2HG2 ILE 18 -9.763 2.334 -1.564 223 1HD1 ILE 18 1HD1 ILE 18 -10.211 0.882 -5.761 224 2HD1 ILE 18 2HD1 ILE 18 -11.662 1.476 -6.576 225 3HD1 ILE 18 3HD1 ILE 18 -10.223 2.508 -6.484 226 QG1 ILE 18 QG1 ILE 18 -11.952 2.446 -4.532 227 QG2 ILE 18 QG2 ILE 18 -10.691 2.098 -1.921 228 QD1 ILE 18 QD1 ILE 18 -10.699 1.622 -6.274 229 HA PRO 19 HA PRO 19 -7.118 6.066 -1.128 230 1HB PRO 19 2HB PRO 19 -8.303 6.616 1.306 231 2HB PRO 19 3HB PRO 19 -8.285 7.707 -0.108 232 1HG PRO 19 2HG PRO 19 -10.473 5.804 0.733 233 2HG PRO 19 3HG PRO 19 -10.636 7.513 0.228 234 1HD PRO 19 2HD PRO 19 -11.119 5.486 -1.479 235 2HD PRO 19 3HD PRO 19 -10.262 6.946 -2.067 236 QB PRO 19 QB PRO 19 -8.294 7.162 0.599 237 QG PRO 19 QG PRO 19 -10.555 6.658 0.481 238 QD PRO 19 QD PRO 19 -10.690 6.216 -1.773 239 H SER 20 HN SER 20 -5.649 4.790 -0.145 240 HA SER 20 HA SER 20 -6.392 2.765 1.829 241 1HB SER 20 2HB SER 20 -4.666 2.005 -0.577 242 2HB SER 20 3HB SER 20 -5.202 0.940 0.725 243 HG SER 20 HG SER 20 -6.940 2.290 -1.045 244 QB SER 20 QB SER 20 -4.934 1.472 0.074 245 H PHE 21 HN PHE 21 -4.194 1.823 2.584 246 HA PHE 21 HA PHE 21 -2.038 3.856 2.510 247 1HB PHE 21 2HB PHE 21 -2.811 2.092 4.869 248 2HB PHE 21 3HB PHE 21 -1.412 3.160 4.820 249 HD1 PHE 21 2HD PHE 21 -5.140 3.087 4.866 250 HD2 PHE 21 1HD PHE 21 -1.595 5.499 5.310 251 HE1 PHE 21 2HE PHE 21 -6.490 4.889 5.898 252 HE2 PHE 21 1HE PHE 21 -2.956 7.319 6.292 253 HZ PHE 21 HZ PHE 21 -5.401 7.010 6.614 254 QB PHE 21 QB PHE 21 -2.111 2.626 4.845 255 QR PHE 21 QR PHE 21 -4.046 5.198 5.591 256 OH TYR 22 OH TYR 22 5.017 4.506 -1.639 257 H TYR 22 HN TYR 22 0.070 2.994 2.236 258 HA TYR 22 HA TYR 22 0.375 0.073 2.116 259 1HB TYR 22 2HB TYR 22 1.312 0.015 0.078 260 2HB TYR 22 3HB TYR 22 0.037 1.134 -0.283 261 HD1 TYR 22 HD2 TYR 22 0.996 3.764 0.337 262 HD2 TYR 22 HD1 TYR 22 3.281 0.359 -1.021 263 HE1 TYR 22 HE2 TYR 22 2.784 5.268 -0.447 264 HE2 TYR 22 HE1 TYR 22 5.054 1.871 -1.822 265 HH TYR 22 HH TYR 22 4.742 5.422 -1.581 266 QB TYR 22 QB TYR 22 0.674 0.575 -0.103 267 QR TYR 22 QR TYR 22 3.029 2.816 -0.738 268 OH TYR 23 OH TYR 23 9.180 -0.498 7.343 269 H TYR 23 HN TYR 23 2.799 -0.375 2.061 270 HA TYR 23 HA TYR 23 4.186 1.531 3.888 271 1HB TYR 23 2HB TYR 23 3.878 -0.867 4.524 272 2HB TYR 23 3HB TYR 23 4.885 -1.303 3.155 273 HD1 TYR 23 HD2 TYR 23 4.820 0.353 6.469 274 HD2 TYR 23 HD1 TYR 23 7.301 -0.965 3.226 275 HE1 TYR 23 HE2 TYR 23 6.775 0.345 7.990 276 HE2 TYR 23 HE1 TYR 23 9.244 -1.056 4.753 277 HH TYR 23 HH TYR 23 9.947 -0.923 6.955 278 QB TYR 23 QB TYR 23 4.382 -1.085 3.839 279 QR TYR 23 QR TYR 23 7.035 -0.331 5.609 280 H LYS 24 HN LYS 24 5.510 2.985 2.872 281 HA LYS 24 HA LYS 24 6.475 2.430 0.132 282 1HB LYS 24 2HB LYS 24 5.769 4.678 0.827 283 2HB LYS 24 3HB LYS 24 7.034 4.732 2.053 284 1HG LYS 24 2HG LYS 24 8.770 4.567 0.295 285 2HG LYS 24 3HG LYS 24 7.520 4.370 -0.945 286 1HD LYS 24 2HD LYS 24 6.672 6.630 -0.454 287 2HD LYS 24 3HD LYS 24 7.880 6.827 0.833 288 1HE LYS 24 2HE LYS 24 9.717 6.653 -0.788 289 2HE LYS 24 3HE LYS 24 8.580 6.285 -2.097 290 1HZ LYS 24 1HZ LYS 24 7.660 8.489 -1.829 291 2HZ LYS 24 2HZ LYS 24 8.731 8.837 -0.628 292 3HZ LYS 24 3HZ LYS 24 9.266 8.561 -2.155 293 QB LYS 24 QB LYS 24 6.401 4.705 1.440 294 QG LYS 24 QG LYS 24 8.145 4.468 -0.325 295 QD LYS 24 QD LYS 24 7.276 6.728 0.189 296 QE LYS 24 QE LYS 24 9.149 6.469 -1.442 297 QZ LYS 24 QZ LYS 24 8.552 8.629 -1.537 298 CH2 TRP 25 CH2 TRP 25 12.330 -4.586 4.122 299 H TRP 25 HN TRP 25 7.716 0.450 0.616 300 HA TRP 25 HA TRP 25 9.683 0.200 2.567 301 1HB TRP 25 2HB TRP 25 8.973 -1.593 1.083 302 2HB TRP 25 3HB TRP 25 9.812 -0.856 -0.279 303 HD1 TRP 25 HD1 TRP 25 12.457 -1.014 -0.326 304 HE1 TRP 25 HE1 TRP 25 14.168 -2.495 0.847 305 HE3 TRP 25 HE3 TRP 25 9.413 -3.073 3.210 306 HZ2 TRP 25 HZ2 TRP 25 14.223 -4.327 3.109 307 HZ3 TRP 25 HZ3 TRP 25 10.294 -4.695 4.849 308 HH2 TRP 25 HH2 TRP 25 12.715 -5.298 4.838 309 QB TRP 25 QB TRP 25 9.393 -1.224 0.402 310 H LYS 26 HN LYS 26 9.886 2.034 -0.417 311 HA LYS 26 HA LYS 26 12.684 2.415 -0.464 312 1HB LYS 26 2HB LYS 26 10.715 2.917 -2.197 313 2HB LYS 26 3HB LYS 26 10.742 4.508 -1.454 314 1HG LYS 26 2HG LYS 26 12.087 4.530 -3.441 315 2HG LYS 26 3HG LYS 26 13.193 4.678 -2.057 316 1HD LYS 26 2HD LYS 26 13.909 2.356 -2.305 317 2HD LYS 26 3HD LYS 26 12.530 1.984 -3.339 318 1HE LYS 26 2HE LYS 26 14.565 2.063 -4.651 319 2HE LYS 26 3HE LYS 26 13.441 3.323 -5.168 320 1HZ LYS 26 2HZ LYS 26 15.768 3.743 -3.396 321 2HZ LYS 26 3HZ LYS 26 15.710 4.101 -4.997 322 3HZ LYS 26 1HZ LYS 26 14.751 4.916 -3.944 323 QB LYS 26 QB LYS 26 10.728 3.712 -1.825 324 QG LYS 26 QG LYS 26 12.640 4.604 -2.749 325 QD LYS 26 QD LYS 26 13.220 2.170 -2.822 326 QE LYS 26 QE LYS 26 14.003 2.693 -4.910 327 QZ LYS 26 QZ LYS 26 15.410 4.253 -4.112 328 H ALA 27 HN ALA 27 10.326 3.750 1.665 329 HA ALA 27 HA ALA 27 12.241 5.771 2.778 330 1HB ALA 27 3HB ALA 27 9.196 5.672 2.879 331 2HB ALA 27 1HB ALA 27 10.223 6.887 3.659 332 3HB ALA 27 2HB ALA 27 10.175 6.779 1.887 333 QB ALA 27 QB ALA 27 9.865 6.446 2.809 334 H LYS 28 HN LYS 28 10.118 3.068 3.376 335 HA LYS 28 HA LYS 28 9.749 1.623 4.956 336 1HB LYS 28 2HB LYS 28 12.178 2.736 6.399 337 2HB LYS 28 3HB LYS 28 11.305 1.258 6.820 338 1HG LYS 28 2HG LYS 28 11.770 0.277 4.621 339 2HG LYS 28 3HG LYS 28 12.554 1.775 4.090 340 1HD LYS 28 2HD LYS 28 14.347 1.557 5.605 341 2HD LYS 28 3HD LYS 28 13.591 0.184 6.445 342 1HE LYS 28 2HE LYS 28 13.815 -1.253 4.507 343 2HE LYS 28 3HE LYS 28 14.275 0.099 3.462 344 1HZ LYS 28 2HZ LYS 28 15.899 -0.865 5.725 345 2HZ LYS 28 3HZ LYS 28 16.151 -1.261 4.150 346 3HZ LYS 28 1HZ LYS 28 16.318 0.297 4.637 347 QB LYS 28 QB LYS 28 11.742 1.997 6.610 348 QG LYS 28 QG LYS 28 12.162 1.026 4.355 349 QD LYS 28 QD LYS 28 13.969 0.870 6.025 350 QE LYS 28 QE LYS 28 14.045 -0.577 3.985 351 QZ LYS 28 QZ LYS 28 16.123 -0.610 4.837 352 H GLN 29 HN GLN 29 7.905 3.329 4.870 353 HA GLN 29 HA GLN 29 6.936 3.244 7.558 354 1HB GLN 29 2HB GLN 29 7.684 5.913 6.387 355 2HB GLN 29 3HB GLN 29 6.048 5.804 7.026 356 1HG GLN 29 2HG GLN 29 7.126 4.766 9.158 357 2HG GLN 29 3HG GLN 29 8.633 5.464 8.553 358 1HE2 GLN 29 2HE2 GLN 29 7.440 8.874 9.009 359 2HE2 GLN 29 1HE2 GLN 29 8.468 7.894 7.979 360 QB GLN 29 QB GLN 29 6.866 5.858 6.707 361 QG GLN 29 QG GLN 29 7.880 5.115 8.856 362 QE2 GLN 29 QE2 GLN 29 7.954 8.384 8.494 363 H CYS 30 HN CYS 30 4.633 3.756 7.662 364 HA CYS 30 HA CYS 30 3.168 2.779 5.296 365 1HB CYS 30 2HB CYS 30 2.304 3.511 8.089 366 2HB CYS 30 3HB CYS 30 1.258 2.803 6.840 367 QB CYS 30 QB CYS 30 1.781 3.157 7.465 368 H LEU 31 HN LEU 31 1.926 4.086 3.989 369 HA LEU 31 HA LEU 31 1.535 6.954 4.687 370 1HB LEU 31 2HB LEU 31 2.606 5.831 2.063 371 2HB LEU 31 3HB LEU 31 2.271 7.529 2.384 372 HG LEU 31 HG LEU 31 4.494 5.852 3.611 373 1HD1 LEU 31 2HD1 LEU 31 4.678 6.561 1.183 374 2HD1 LEU 31 3HD1 LEU 31 4.567 8.243 1.712 375 3HD1 LEU 31 1HD1 LEU 31 5.940 7.245 2.236 376 1HD2 LEU 31 2HD2 LEU 31 3.872 8.828 3.965 377 2HD2 LEU 31 3HD2 LEU 31 3.749 7.603 5.238 378 3HD2 LEU 31 1HD2 LEU 31 5.327 7.990 4.548 379 QB LEU 31 QB LEU 31 2.438 6.680 2.224 380 QD1 LEU 31 QD1 LEU 31 5.062 7.350 1.710 381 QD2 LEU 31 QD2 LEU 31 4.316 8.141 4.584 382 QQD LEU 31 QQD LEU 31 4.689 7.745 3.147 383 HA PRO 32 HA PRO 32 -2.381 6.073 2.577 384 1HB PRO 32 2HB PRO 32 -3.273 8.572 2.036 385 2HB PRO 32 3HB PRO 32 -3.163 7.968 3.710 386 1HG PRO 32 2HG PRO 32 -1.123 9.652 2.217 387 2HG PRO 32 3HG PRO 32 -1.829 9.982 3.826 388 1HD PRO 32 2HD PRO 32 0.575 8.748 3.536 389 2HD PRO 32 3HD PRO 32 -0.556 8.240 4.825 390 QB PRO 32 QB PRO 32 -3.218 8.270 2.873 391 QG PRO 32 QG PRO 32 -1.476 9.817 3.021 392 QD PRO 32 QD PRO 32 0.010 8.494 4.180 393 H PHE 33 HN PHE 33 -3.272 6.183 0.395 394 HA PHE 33 HA PHE 33 -2.341 7.967 -1.589 395 1HB PHE 33 2HB PHE 33 -1.262 6.535 -3.139 396 2HB PHE 33 3HB PHE 33 -0.386 6.319 -1.642 397 HD1 PHE 33 2HD PHE 33 -1.479 4.314 -0.072 398 HD2 PHE 33 1HD PHE 33 -1.744 4.607 -4.376 399 HE1 PHE 33 2HE PHE 33 -2.108 1.933 -0.211 400 HE2 PHE 33 1HE PHE 33 -2.136 2.189 -4.510 401 HZ PHE 33 HZ PHE 33 -2.301 0.831 -2.385 402 QB PHE 33 QB PHE 33 -0.824 6.427 -2.391 403 QR PHE 33 QR PHE 33 -1.867 3.261 -2.292 404 H ASP 34 HN ASP 34 -3.427 7.141 -3.817 405 HA ASP 34 HA ASP 34 -6.066 5.908 -3.168 406 1HB ASP 34 2HB ASP 34 -5.244 8.158 -4.919 407 2HB ASP 34 3HB ASP 34 -6.193 6.931 -5.752 408 QB ASP 34 QB ASP 34 -5.719 7.545 -5.335 409 OH TYR 35 OH TYR 35 -5.275 -3.220 -7.719 410 H TYR 35 HN TYR 35 -6.293 3.860 -3.833 411 HA TYR 35 HA TYR 35 -4.306 2.659 -5.660 412 1HB TYR 35 2HB TYR 35 -4.929 1.419 -3.621 413 2HB TYR 35 3HB TYR 35 -6.635 1.514 -4.052 414 HD1 TYR 35 HD1 TYR 35 -3.574 0.595 -6.014 415 HD2 TYR 35 HD2 TYR 35 -7.480 -0.616 -4.720 416 HE1 TYR 35 HE1 TYR 35 -3.451 -1.347 -7.518 417 HE2 TYR 35 HE2 TYR 35 -7.233 -2.724 -6.015 418 HH TYR 35 HH TYR 35 -4.746 -2.986 -8.491 419 QB TYR 35 QB TYR 35 -5.782 1.467 -3.837 420 QR TYR 35 QR TYR 35 -5.435 -1.023 -6.067 421 H SER 36 HN SER 36 -4.922 1.685 -7.704 422 HA SER 36 HA SER 36 -7.293 2.852 -8.897 423 1HB SER 36 2HB SER 36 -6.611 1.851 -10.890 424 2HB SER 36 3HB SER 36 -5.188 2.566 -10.136 425 HG SER 36 HG SER 36 -4.396 0.608 -9.704 426 QB SER 36 QB SER 36 -5.900 2.209 -10.513 427 H GLY 37 HN GLY 37 -6.494 -0.608 -9.176 428 1HA GLY 37 1HA GLY 37 -8.734 -1.651 -7.717 429 2HA GLY 37 2HA GLY 37 -9.285 -1.252 -9.350 430 QA GLY 37 QA GLY 37 -9.009 -1.452 -8.534 431 H CYS 38 HN CYS 38 -6.963 -1.893 -10.805 432 HA CYS 38 HA CYS 38 -6.773 -4.853 -10.488 433 1HB CYS 38 2HB CYS 38 -6.159 -4.948 -12.832 434 2HB CYS 38 3HB CYS 38 -7.799 -4.364 -12.601 435 QB CYS 38 QB CYS 38 -6.979 -4.656 -12.717 436 H GLY 39 HN GLY 39 -4.671 -5.718 -11.181 437 1HA GLY 39 1HA GLY 39 -2.429 -5.943 -10.854 438 2HA GLY 39 2HA GLY 39 -2.374 -4.430 -11.772 439 QA GLY 39 QA GLY 39 -2.402 -5.186 -11.313 440 H GLY 40 HN GLY 40 -3.510 -4.927 -8.387 441 1HA GLY 40 1HA GLY 40 -1.493 -3.023 -7.342 442 2HA GLY 40 2HA GLY 40 -2.800 -3.748 -6.453 443 QA GLY 40 QA GLY 40 -2.147 -3.386 -6.897 444 H ASN 41 HN ASN 41 -1.581 -4.593 -4.764 445 HA ASN 41 HA ASN 41 -0.417 -7.166 -5.095 446 1HB ASN 41 2HB ASN 41 1.791 -6.632 -4.203 447 2HB ASN 41 3HB ASN 41 1.558 -5.793 -5.726 448 1HD2 ASN 41 2HD2 ASN 41 2.692 -2.844 -4.103 449 2HD2 ASN 41 1HD2 ASN 41 2.937 -4.069 -5.331 450 QB ASN 41 QB ASN 41 1.674 -6.213 -4.964 451 QD2 ASN 41 QD2 ASN 41 2.814 -3.456 -4.717 452 H ALA 42 HN ALA 42 0.677 -7.596 -2.735 453 HA ALA 42 HA ALA 42 -1.488 -7.495 -0.832 454 1HB ALA 42 2HB ALA 42 1.425 -8.363 -0.583 455 2HB ALA 42 3HB ALA 42 0.172 -8.697 0.616 456 3HB ALA 42 1HB ALA 42 0.072 -9.419 -1.002 457 QB ALA 42 QB ALA 42 0.556 -8.826 -0.323 458 H ASN 43 HN ASN 43 1.017 -5.209 -1.452 459 HA ASN 43 HA ASN 43 1.294 -4.267 1.284 460 1HB ASN 43 2HB ASN 43 2.999 -4.101 -0.748 461 2HB ASN 43 3HB ASN 43 2.070 -2.691 -1.209 462 1HD2 ASN 43 2HD2 ASN 43 4.739 -1.280 0.851 463 2HD2 ASN 43 1HD2 ASN 43 4.662 -2.128 -0.655 464 QB ASN 43 QB ASN 43 2.535 -3.396 -0.978 465 QD2 ASN 43 QD2 ASN 43 4.700 -1.704 0.098 466 NH1 ARG 44 NH2 ARG 44 -1.994 -0.596 -4.416 467 NH2 ARG 44 NH1 ARG 44 -0.740 -2.471 -4.068 468 H ARG 44 HN ARG 44 -1.246 -4.232 1.414 469 HA ARG 44 HA ARG 44 -2.090 -1.446 0.947 470 1HB ARG 44 2HB ARG 44 -2.522 -3.323 -1.018 471 2HB ARG 44 3HB ARG 44 -4.068 -3.367 -0.183 472 1HG ARG 44 2HG ARG 44 -4.436 -1.002 -0.499 473 2HG ARG 44 3HG ARG 44 -2.752 -0.751 -0.983 474 1HD ARG 44 2HD ARG 44 -4.891 -2.167 -2.609 475 2HD ARG 44 3HD ARG 44 -4.140 -0.642 -2.933 476 HE ARG 44 HE ARG 44 -2.808 -3.350 -2.990 477 1HH1 ARG 44 2HH2 ARG 44 -2.837 -0.072 -4.262 478 2HH1 ARG 44 1HH2 ARG 44 -1.346 -0.281 -5.133 479 1HH2 ARG 44 2HH1 ARG 44 -0.478 -3.227 -3.432 480 2HH2 ARG 44 1HH1 ARG 44 0.002 -2.043 -4.590 481 QB ARG 44 QB ARG 44 -3.295 -3.345 -0.600 482 QG ARG 44 QG ARG 44 -3.594 -0.877 -0.741 483 QD ARG 44 QD ARG 44 -4.516 -1.404 -2.771 484 QH1 ARG 44 QH2 ARG 44 -2.091 -0.176 -4.698 485 QH2 ARG 44 QH1 ARG 44 -0.238 -2.635 -4.011 486 H PHE 45 HN PHE 45 -3.315 -0.702 2.487 487 HA PHE 45 HA PHE 45 -4.925 -2.496 4.272 488 1HB PHE 45 2HB PHE 45 -2.888 -0.378 5.039 489 2HB PHE 45 3HB PHE 45 -3.902 -1.300 6.139 490 HD1 PHE 45 2HD PHE 45 -3.529 -3.717 6.505 491 HD2 PHE 45 1HD PHE 45 -0.958 -1.485 3.871 492 HE1 PHE 45 2HE PHE 45 -1.830 -5.508 6.657 493 HE2 PHE 45 1HE PHE 45 0.712 -3.317 3.956 494 HZ PHE 45 HZ PHE 45 0.276 -5.326 5.366 495 QB PHE 45 QB PHE 45 -3.395 -0.839 5.589 496 QR PHE 45 QR PHE 45 -1.401 -3.507 5.247 497 H LYS 46 HN LYS 46 -6.760 -1.538 5.097 498 HA LYS 46 HA LYS 46 -7.619 1.017 3.900 499 1HB LYS 46 2HB LYS 46 -8.921 -0.915 5.872 500 2HB LYS 46 3HB LYS 46 -9.676 0.577 5.312 501 1HG LYS 46 2HG LYS 46 -8.849 -1.737 3.496 502 2HG LYS 46 3HG LYS 46 -10.484 -1.395 4.086 503 1HD LYS 46 2HD LYS 46 -10.301 0.911 3.024 504 2HD LYS 46 3HD LYS 46 -8.797 0.370 2.245 505 1HE LYS 46 2HE LYS 46 -9.990 -1.455 1.116 506 2HE LYS 46 3HE LYS 46 -11.513 -0.952 1.873 507 1HZ LYS 46 2HZ LYS 46 -9.881 0.726 0.076 508 2HZ LYS 46 3HZ LYS 46 -11.258 -0.074 -0.352 509 3HZ LYS 46 1HZ LYS 46 -11.318 1.151 0.745 510 QB LYS 46 QB LYS 46 -9.298 -0.169 5.592 511 QG LYS 46 QG LYS 46 -9.667 -1.566 3.791 512 QD LYS 46 QD LYS 46 -9.549 0.640 2.634 513 QE LYS 46 QE LYS 46 -10.751 -1.203 1.494 514 QZ LYS 46 QZ LYS 46 -10.819 0.601 0.156 515 H THR 47 HN THR 47 -5.958 0.016 6.755 516 HA THR 47 HA THR 47 -6.313 2.773 7.875 517 HB THR 47 HB THR 47 -5.944 1.831 10.091 518 HG1 THR 47 1HG THR 47 -6.436 -0.745 9.152 519 1HG2 THR 47 3HG2 THR 47 -8.265 2.160 9.315 520 2HG2 THR 47 1HG2 THR 47 -8.312 0.490 8.717 521 3HG2 THR 47 2HG2 THR 47 -8.119 0.811 10.455 522 QG2 THR 47 QG2 THR 47 -8.232 1.154 9.496 523 H ILE 48 HN ILE 48 -4.367 3.695 8.679 524 HA ILE 48 HA ILE 48 -1.840 2.549 7.667 525 HB ILE 48 HB ILE 48 -2.251 5.061 7.996 526 1HG1 ILE 48 2HG1 ILE 48 0.094 3.529 9.139 527 2HG1 ILE 48 3HG1 ILE 48 -0.125 4.300 7.551 528 1HG2 ILE 48 1HG2 ILE 48 -3.410 4.960 10.154 529 2HG2 ILE 48 2HG2 ILE 48 -1.902 4.429 10.946 530 3HG2 ILE 48 3HG2 ILE 48 -2.025 6.028 10.184 531 1HD1 ILE 48 1HD1 ILE 48 -0.066 6.503 8.678 532 2HD1 ILE 48 2HD1 ILE 48 0.279 5.652 10.223 533 3HD1 ILE 48 3HD1 ILE 48 1.425 5.550 8.871 534 QG1 ILE 48 QG1 ILE 48 -0.015 3.915 8.345 535 QG2 ILE 48 QG2 ILE 48 -2.446 5.139 10.428 536 QD1 ILE 48 QD1 ILE 48 0.546 5.902 9.258 537 H GLU 49 HN GLU 49 -3.733 2.515 10.701 538 HA GLU 49 HA GLU 49 -1.642 1.475 12.220 539 1HB GLU 49 2HB GLU 49 -4.695 1.055 12.442 540 2HB GLU 49 3HB GLU 49 -3.533 0.663 13.711 541 1HG GLU 49 2HG GLU 49 -4.482 2.733 14.323 542 2HG GLU 49 3HG GLU 49 -2.842 3.095 13.786 543 QB GLU 49 QB GLU 49 -4.114 0.859 13.077 544 QG GLU 49 QG GLU 49 -3.662 2.914 14.054 545 H GLU 50 HN GLU 50 -4.009 -0.378 10.221 546 HA GLU 50 HA GLU 50 -2.976 -2.899 11.060 547 1HB GLU 50 2HB GLU 50 -5.104 -2.483 9.780 548 2HB GLU 50 3HB GLU 50 -4.119 -2.229 8.326 549 1HG GLU 50 2HG GLU 50 -4.839 -4.477 8.205 550 2HG GLU 50 3HG GLU 50 -3.213 -4.659 8.891 551 QB GLU 50 QB GLU 50 -4.612 -2.356 9.053 552 QG GLU 50 QG GLU 50 -4.026 -4.568 8.548 553 H CYS 51 HN CYS 51 -1.917 -0.666 8.440 554 HA CYS 51 HA CYS 51 0.163 -2.360 7.450 555 1HB CYS 51 2HB CYS 51 -0.487 -0.442 6.130 556 2HB CYS 51 3HB CYS 51 -0.030 0.680 7.406 557 QB CYS 51 QB CYS 51 -0.258 0.119 6.768 558 NH1 ARG 52 NH2 ARG 52 4.247 5.525 12.790 559 NH2 ARG 52 NH1 ARG 52 3.953 5.497 10.499 560 H ARG 52 HN ARG 52 0.342 0.355 9.850 561 HA ARG 52 HA ARG 52 3.037 -0.022 10.527 562 1HB ARG 52 2HB ARG 52 1.374 1.814 11.132 563 2HB ARG 52 3HB ARG 52 0.838 0.797 12.473 564 1HG ARG 52 2HG ARG 52 2.905 0.952 13.581 565 2HG ARG 52 3HG ARG 52 3.800 1.395 12.123 566 1HD ARG 52 2HD ARG 52 1.750 3.215 13.443 567 2HD ARG 52 3HD ARG 52 3.491 3.227 13.766 568 HE ARG 52 HE ARG 52 2.460 3.542 10.975 569 1HH1 ARG 52 2HH2 ARG 52 4.001 5.179 13.705 570 2HH1 ARG 52 1HH2 ARG 52 4.842 6.336 12.720 571 1HH2 ARG 52 2HH1 ARG 52 3.479 5.170 9.673 572 2HH2 ARG 52 1HH1 ARG 52 4.667 6.221 10.378 573 QB ARG 52 QB ARG 52 1.106 1.306 11.802 574 QG ARG 52 QG ARG 52 3.353 1.173 12.852 575 QD ARG 52 QD ARG 52 2.620 3.221 13.604 576 QH1 ARG 52 QH2 ARG 52 4.421 5.758 13.213 577 QH2 ARG 52 QH1 ARG 52 4.073 5.696 10.025 578 NH1 ARG 53 NH2 ARG 53 -1.659 -2.555 17.969 579 NH2 ARG 53 NH1 ARG 53 0.377 -1.430 17.783 580 H ARG 53 HN ARG 53 0.186 -1.682 11.968 581 HA ARG 53 HA ARG 53 1.779 -3.156 13.824 582 1HB ARG 53 2HB ARG 53 -0.695 -2.753 13.950 583 2HB ARG 53 3HB ARG 53 -0.921 -3.949 12.676 584 1HG ARG 53 2HG ARG 53 -0.755 -5.658 14.169 585 2HG ARG 53 3HG ARG 53 0.813 -5.091 14.754 586 1HD ARG 53 2HD ARG 53 -1.860 -4.019 15.671 587 2HD ARG 53 3HD ARG 53 -0.845 -5.193 16.552 588 HE ARG 53 HE ARG 53 0.916 -3.108 16.119 589 1HH1 ARG 53 2HH2 ARG 53 -2.236 -3.327 17.673 590 2HH1 ARG 53 1HH2 ARG 53 -2.002 -1.947 18.695 591 1HH2 ARG 53 2HH1 ARG 53 1.296 -1.428 17.311 592 2HH2 ARG 53 1HH1 ARG 53 0.154 -0.734 18.473 593 QB ARG 53 QB ARG 53 -0.808 -3.351 13.313 594 QG ARG 53 QG ARG 53 0.029 -5.374 14.462 595 QD ARG 53 QD ARG 53 -1.353 -4.606 16.111 596 QH1 ARG 53 QH2 ARG 53 -2.119 -2.637 18.184 597 QH2 ARG 53 QH1 ARG 53 0.725 -1.081 17.892 598 H THR 54 HN THR 54 0.869 -3.835 10.431 599 HA THR 54 HA THR 54 1.681 -6.592 10.535 600 HB THR 54 HB THR 54 1.430 -4.716 8.143 601 HG1 THR 54 1HG THR 54 -0.532 -5.032 9.277 602 1HG2 THR 54 3HG2 THR 54 1.621 -7.748 8.368 603 2HG2 THR 54 1HG2 THR 54 1.077 -6.893 6.921 604 3HG2 THR 54 2HG2 THR 54 2.744 -6.682 7.488 605 QG2 THR 54 QG2 THR 54 1.814 -7.107 7.593 606 H CYS 55 HN CYS 55 3.366 -3.585 9.535 607 HA CYS 55 HA CYS 55 5.739 -5.251 8.877 608 1HB CYS 55 2HB CYS 55 5.109 -2.420 8.095 609 2HB CYS 55 3HB CYS 55 6.600 -3.304 7.745 610 QB CYS 55 QB CYS 55 5.855 -2.862 7.920 611 H VAL 56 HN VAL 56 4.781 -2.827 11.131 612 HA VAL 56 HA VAL 56 7.385 -2.722 12.553 613 HB VAL 56 HB VAL 56 5.145 -0.649 12.675 614 1HG1 VAL 56 1HG1 VAL 56 8.172 -0.506 13.067 615 2HG1 VAL 56 2HG1 VAL 56 7.094 0.901 13.046 616 3HG1 VAL 56 3HG1 VAL 56 6.944 -0.274 14.329 617 1HG2 VAL 56 1HG2 VAL 56 7.320 -0.760 10.566 618 2HG2 VAL 56 2HG2 VAL 56 5.559 -0.749 10.299 619 3HG2 VAL 56 3HG2 VAL 56 6.349 0.677 10.947 620 QG1 VAL 56 QG1 VAL 56 7.403 0.041 13.481 621 QG2 VAL 56 QG2 VAL 56 6.409 -0.277 10.604 622 QQG VAL 56 QQG VAL 56 6.906 -0.118 12.042 623 H GLY 57 HN GLY 57 6.130 -1.752 14.948 624 1HA GLY 57 1HA GLY 57 4.278 -3.928 15.832 625 2HA GLY 57 2HA GLY 57 5.092 -2.750 16.873 626 QA GLY 57 QA GLY 57 4.685 -3.339 16.352 Start of MODEL 4 Raw file had 626 H/Q atoms Start of MODEL 4 1 H ALA 1 HN ALA 1 7.399 -7.436 11.343 2 HA ALA 1 HA ALA 1 6.576 -6.724 9.101 3 1HB ALA 1 2HB ALA 1 8.918 -6.313 9.753 4 2HB ALA 1 3HB ALA 1 9.358 -7.913 9.103 5 3HB ALA 1 1HB ALA 1 8.734 -6.641 8.025 6 QB ALA 1 QB ALA 1 9.003 -6.956 8.961 7 H ALA 2 HN ALA 2 6.868 -7.380 6.686 8 HA ALA 2 HA ALA 2 6.349 -10.274 6.279 9 1HB ALA 2 3HB ALA 2 4.520 -7.974 5.436 10 2HB ALA 2 1HB ALA 2 4.377 -9.660 4.897 11 3HB ALA 2 2HB ALA 2 4.132 -9.257 6.607 12 QB ALA 2 QB ALA 2 4.343 -8.964 5.647 13 H LYS 3 HN LYS 3 6.697 -10.926 4.104 14 HA LYS 3 HA LYS 3 8.931 -9.783 2.884 15 1HB LYS 3 2HB LYS 3 7.747 -12.131 2.687 16 2HB LYS 3 3HB LYS 3 6.893 -11.435 1.326 17 1HG LYS 3 2HG LYS 3 9.027 -10.951 0.192 18 2HG LYS 3 3HG LYS 3 9.924 -11.567 1.604 19 1HD LYS 3 2HD LYS 3 8.900 -13.779 1.359 20 2HD LYS 3 3HD LYS 3 7.982 -13.257 -0.050 21 1HE LYS 3 2HE LYS 3 11.046 -13.222 0.098 22 2HE LYS 3 3HE LYS 3 10.122 -14.623 -0.449 23 1HZ LYS 3 3HZ LYS 3 10.020 -11.983 -1.747 24 2HZ LYS 3 1HZ LYS 3 10.860 -13.290 -2.279 25 3HZ LYS 3 2HZ LYS 3 9.224 -13.341 -2.228 26 QB LYS 3 QB LYS 3 7.320 -11.783 2.007 27 QG LYS 3 QG LYS 3 9.476 -11.259 0.898 28 QD LYS 3 QD LYS 3 8.441 -13.518 0.654 29 QE LYS 3 QE LYS 3 10.584 -13.923 -0.175 30 QZ LYS 3 QZ LYS 3 10.035 -12.871 -2.085 31 OH TYR 4 OH TYR 4 0.789 -8.976 5.227 32 H TYR 4 HN TYR 4 5.555 -9.703 1.848 33 HA TYR 4 HA TYR 4 5.810 -8.039 -0.379 34 1HB TYR 4 2HB TYR 4 3.397 -7.626 -0.097 35 2HB TYR 4 3HB TYR 4 3.877 -9.324 -0.026 36 HD1 TYR 4 HD2 TYR 4 2.774 -6.411 2.049 37 HD2 TYR 4 HD1 TYR 4 3.224 -10.697 1.795 38 HE1 TYR 4 HE2 TYR 4 1.398 -6.691 4.083 39 HE2 TYR 4 HE1 TYR 4 1.838 -10.962 3.821 40 HH TYR 4 HH TYR 4 0.576 -9.886 5.442 41 QB TYR 4 QB TYR 4 3.637 -8.475 -0.062 42 QR TYR 4 QR TYR 4 2.309 -8.690 2.937 43 H CYS 5 HN CYS 5 6.017 -7.101 2.937 44 HA CYS 5 HA CYS 5 5.164 -4.386 2.793 45 1HB CYS 5 2HB CYS 5 5.857 -5.593 4.862 46 2HB CYS 5 3HB CYS 5 7.549 -5.427 4.368 47 QB CYS 5 QB CYS 5 6.703 -5.510 4.615 48 H LYS 6 HN LYS 6 7.977 -6.001 1.520 49 HA LYS 6 HA LYS 6 9.505 -3.614 0.978 50 1HB LYS 6 2HB LYS 6 9.794 -6.385 -0.223 51 2HB LYS 6 3HB LYS 6 10.929 -5.032 -0.370 52 1HG LYS 6 2HG LYS 6 10.774 -4.996 2.272 53 2HG LYS 6 3HG LYS 6 10.246 -6.652 2.107 54 1HD LYS 6 2HD LYS 6 12.801 -5.460 0.880 55 2HD LYS 6 3HD LYS 6 12.777 -6.226 2.461 56 1HE LYS 6 2HE LYS 6 11.978 -7.635 -0.136 57 2HE LYS 6 3HE LYS 6 13.597 -7.694 0.578 58 1HZ LYS 6 3HZ LYS 6 12.645 -8.664 2.552 59 2HZ LYS 6 1HZ LYS 6 11.139 -8.642 1.881 60 3HZ LYS 6 2HZ LYS 6 12.328 -9.585 1.231 61 QB LYS 6 QB LYS 6 10.362 -5.708 -0.296 62 QG LYS 6 QG LYS 6 10.510 -5.824 2.189 63 QD LYS 6 QD LYS 6 12.789 -5.843 1.671 64 QE LYS 6 QE LYS 6 12.788 -7.665 0.221 65 QZ LYS 6 QZ LYS 6 12.037 -8.964 1.888 66 H LEU 7 HN LEU 7 6.700 -4.855 -0.639 67 HA LEU 7 HA LEU 7 7.489 -4.172 -3.306 68 1HB LEU 7 2HB LEU 7 4.765 -4.484 -2.012 69 2HB LEU 7 3HB LEU 7 5.027 -4.318 -3.743 70 HG LEU 7 HG LEU 7 6.408 -6.540 -2.208 71 1HD1 LEU 7 3HD1 LEU 7 3.752 -6.525 -2.026 72 2HD1 LEU 7 1HD1 LEU 7 3.879 -7.104 -3.704 73 3HD1 LEU 7 2HD1 LEU 7 4.646 -8.013 -2.418 74 1HD2 LEU 7 3HD2 LEU 7 5.497 -6.189 -5.103 75 2HD2 LEU 7 1HD2 LEU 7 7.174 -6.082 -4.523 76 3HD2 LEU 7 2HD2 LEU 7 6.299 -7.628 -4.447 77 QB LEU 7 QB LEU 7 4.896 -4.401 -2.877 78 QD1 LEU 7 QD1 LEU 7 4.092 -7.214 -2.716 79 QD2 LEU 7 QD2 LEU 7 6.323 -6.633 -4.691 80 QQD LEU 7 QQD LEU 7 5.208 -6.924 -3.703 81 HA PRO 8 HA PRO 8 7.087 0.211 -2.810 82 1HB PRO 8 2HB PRO 8 7.220 1.101 -5.386 83 2HB PRO 8 3HB PRO 8 8.559 0.188 -4.639 84 1HG PRO 8 2HG PRO 8 6.320 -0.922 -6.359 85 2HG PRO 8 3HG PRO 8 8.082 -1.103 -6.622 86 1HD PRO 8 2HD PRO 8 6.634 -3.012 -5.303 87 2HD PRO 8 3HD PRO 8 8.292 -2.577 -4.774 88 QB PRO 8 QB PRO 8 7.889 0.645 -5.012 89 QG PRO 8 QG PRO 8 7.201 -1.013 -6.491 90 QD PRO 8 QD PRO 8 7.463 -2.795 -5.038 91 H LEU 9 HN LEU 9 5.851 2.129 -4.012 92 HA LEU 9 HA LEU 9 3.057 1.963 -3.601 93 1HB LEU 9 2HB LEU 9 4.405 4.065 -3.644 94 2HB LEU 9 3HB LEU 9 4.696 3.849 -5.364 95 HG LEU 9 HG LEU 9 2.380 4.220 -5.905 96 1HD1 LEU 9 2HD1 LEU 9 1.882 4.130 -2.903 97 2HD1 LEU 9 3HD1 LEU 9 0.760 4.881 -4.019 98 3HD1 LEU 9 1HD1 LEU 9 1.111 3.153 -4.151 99 1HD2 LEU 9 3HD2 LEU 9 3.810 6.211 -5.486 100 2HD2 LEU 9 1HD2 LEU 9 2.109 6.526 -5.109 101 3HD2 LEU 9 2HD2 LEU 9 3.264 6.238 -3.795 102 QB LEU 9 QB LEU 9 4.551 3.957 -4.504 103 QD1 LEU 9 QD1 LEU 9 1.251 4.055 -3.691 104 QD2 LEU 9 QD2 LEU 9 3.061 6.325 -4.797 105 QQD LEU 9 QQD LEU 9 2.156 5.190 -4.244 106 NH1 ARG 10 NH2 ARG 10 1.315 -4.491 -9.633 107 NH2 ARG 10 NH1 ARG 10 3.347 -5.516 -10.025 108 H ARG 10 HN ARG 10 1.482 1.134 -4.906 109 HA ARG 10 HA ARG 10 2.171 0.285 -7.680 110 1HB ARG 10 2HB ARG 10 2.820 -1.353 -5.846 111 2HB ARG 10 3HB ARG 10 1.107 -1.495 -5.449 112 1HG ARG 10 2HG ARG 10 1.866 -3.334 -6.859 113 2HG ARG 10 3HG ARG 10 0.662 -2.355 -7.702 114 1HD ARG 10 2HD ARG 10 2.202 -1.664 -9.332 115 2HD ARG 10 3HD ARG 10 3.509 -1.566 -8.155 116 HE ARG 10 HE ARG 10 4.291 -3.488 -8.904 117 1HH1 ARG 10 2HH2 ARG 10 0.797 -3.805 -9.105 118 2HH1 ARG 10 1HH2 ARG 10 0.812 -5.310 -9.937 119 1HH2 ARG 10 2HH1 ARG 10 4.355 -5.532 -9.964 120 2HH2 ARG 10 1HH1 ARG 10 2.883 -6.304 -10.453 121 QB ARG 10 QB ARG 10 1.963 -1.424 -5.647 122 QG ARG 10 QG ARG 10 1.264 -2.844 -7.280 123 QD ARG 10 QD ARG 10 2.855 -1.615 -8.744 124 QH1 ARG 10 QH2 ARG 10 0.805 -4.558 -9.521 125 QH2 ARG 10 QH1 ARG 10 3.619 -5.918 -10.209 126 H ILE 11 HN ILE 11 0.708 2.039 -8.169 127 HA ILE 11 HA ILE 11 -1.888 2.149 -7.072 128 HB ILE 11 HB ILE 11 -1.011 3.329 -9.729 129 1HG1 ILE 11 2HG1 ILE 11 0.712 4.084 -8.249 130 2HG1 ILE 11 3HG1 ILE 11 -0.505 5.367 -8.269 131 1HG2 ILE 11 1HG2 ILE 11 -3.150 4.005 -7.665 132 2HG2 ILE 11 2HG2 ILE 11 -2.650 5.145 -8.928 133 3HG2 ILE 11 3HG2 ILE 11 -3.377 3.591 -9.362 134 1HD1 ILE 11 2HD1 ILE 11 -1.522 4.547 -6.276 135 2HD1 ILE 11 3HD1 ILE 11 -0.145 3.439 -6.033 136 3HD1 ILE 11 1HD1 ILE 11 0.108 5.207 -6.092 137 QG1 ILE 11 QG1 ILE 11 0.103 4.726 -8.259 138 QG2 ILE 11 QG2 ILE 11 -3.059 4.247 -8.652 139 QD1 ILE 11 QD1 ILE 11 -0.519 4.397 -6.134 140 H GLY 12 HN GLY 12 -0.721 0.694 -10.070 141 1HA GLY 12 1HA GLY 12 -1.570 -1.143 -11.156 142 2HA GLY 12 2HA GLY 12 -3.089 -1.078 -10.265 143 QA GLY 12 QA GLY 12 -2.330 -1.111 -10.710 144 HA PRO 13 HA PRO 13 -3.112 1.428 -14.353 145 1HB PRO 13 2HB PRO 13 -3.281 -0.291 -16.448 146 2HB PRO 13 3HB PRO 13 -1.767 -0.101 -15.530 147 1HG PRO 13 2HG PRO 13 -3.904 -2.215 -15.073 148 2HG PRO 13 3HG PRO 13 -2.165 -2.485 -15.411 149 1HD PRO 13 2HD PRO 13 -3.057 -2.404 -12.850 150 2HD PRO 13 3HD PRO 13 -1.533 -1.597 -13.312 151 QB PRO 13 QB PRO 13 -2.524 -0.196 -15.989 152 QG PRO 13 QG PRO 13 -3.035 -2.350 -15.242 153 QD PRO 13 QD PRO 13 -2.295 -2.001 -13.081 154 H CYS 14 HN CYS 14 -5.339 0.839 -12.585 155 HA CYS 14 HA CYS 14 -7.610 0.338 -14.487 156 1HB CYS 14 2HB CYS 14 -7.186 -0.147 -11.678 157 2HB CYS 14 3HB CYS 14 -8.638 0.795 -11.913 158 QB CYS 14 QB CYS 14 -7.912 0.324 -11.796 159 H LYS 15 HN LYS 15 -9.567 1.802 -14.000 160 HA LYS 15 HA LYS 15 -8.682 4.634 -14.344 161 1HB LYS 15 2HB LYS 15 -10.459 4.838 -15.960 162 2HB LYS 15 3HB LYS 15 -9.215 3.709 -16.491 163 1HG LYS 15 2HG LYS 15 -10.533 1.808 -16.211 164 2HG LYS 15 3HG LYS 15 -11.662 2.558 -15.101 165 1HD LYS 15 2HD LYS 15 -11.436 3.014 -18.101 166 2HD LYS 15 3HD LYS 15 -12.742 2.210 -17.230 167 1HE LYS 15 2HE LYS 15 -12.092 5.185 -17.359 168 2HE LYS 15 3HE LYS 15 -13.573 4.364 -17.822 169 1HZ LYS 15 3HZ LYS 15 -12.594 4.643 -15.041 170 2HZ LYS 15 1HZ LYS 15 -13.780 5.541 -15.736 171 3HZ LYS 15 2HZ LYS 15 -14.003 3.930 -15.497 172 QB LYS 15 QB LYS 15 -9.837 4.273 -16.225 173 QG LYS 15 QG LYS 15 -11.098 2.183 -15.656 174 QD LYS 15 QD LYS 15 -12.089 2.612 -17.666 175 QE LYS 15 QE LYS 15 -12.833 4.775 -17.590 176 QZ LYS 15 QZ LYS 15 -13.459 4.705 -15.425 177 NH1 ARG 16 NH2 ARG 16 -15.518 1.207 -10.052 178 NH2 ARG 16 NH1 ARG 16 -16.829 3.114 -9.862 179 H ARG 16 HN ARG 16 -9.032 4.019 -12.075 180 HA ARG 16 HA ARG 16 -11.521 4.869 -10.756 181 1HB ARG 16 2HB ARG 16 -10.304 2.110 -11.041 182 2HB ARG 16 3HB ARG 16 -10.781 2.570 -9.420 183 1HG ARG 16 2HG ARG 16 -12.789 3.033 -11.634 184 2HG ARG 16 3HG ARG 16 -12.490 1.389 -10.992 185 1HD ARG 16 2HD ARG 16 -13.135 1.872 -8.807 186 2HD ARG 16 3HD ARG 16 -12.658 3.547 -8.926 187 HE ARG 16 HE ARG 16 -14.621 4.214 -9.328 188 1HH1 ARG 16 2HH2 ARG 16 -14.601 0.788 -10.031 189 2HH1 ARG 16 1HH2 ARG 16 -16.324 0.617 -10.193 190 1HH2 ARG 16 2HH1 ARG 16 -16.915 4.108 -9.706 191 2HH2 ARG 16 1HH1 ARG 16 -17.675 2.584 -10.018 192 QB ARG 16 QB ARG 16 -10.542 2.340 -10.231 193 QG ARG 16 QG ARG 16 -12.639 2.211 -11.313 194 QD ARG 16 QD ARG 16 -12.896 2.709 -8.866 195 QH1 ARG 16 QH2 ARG 16 -15.462 0.702 -10.112 196 QH2 ARG 16 QH1 ARG 16 -17.295 3.346 -9.862 197 H LYS 17 HN LYS 17 -10.991 4.803 -8.326 198 HA LYS 17 HA LYS 17 -8.243 5.160 -7.390 199 1HB LYS 17 2HB LYS 17 -10.038 7.605 -7.562 200 2HB LYS 17 3HB LYS 17 -8.579 7.440 -6.588 201 1HG LYS 17 2HG LYS 17 -7.328 6.947 -8.804 202 2HG LYS 17 3HG LYS 17 -8.807 7.475 -9.607 203 1HD LYS 17 2HD LYS 17 -7.546 9.455 -9.568 204 2HD LYS 17 3HD LYS 17 -8.681 9.629 -8.233 205 1HE LYS 17 2HE LYS 17 -6.560 10.421 -7.451 206 2HE LYS 17 3HE LYS 17 -6.896 8.904 -6.633 207 1HZ LYS 17 3HZ LYS 17 -5.102 9.242 -8.940 208 2HZ LYS 17 1HZ LYS 17 -4.655 9.037 -7.366 209 3HZ LYS 17 2HZ LYS 17 -5.403 7.813 -8.165 210 QB LYS 17 QB LYS 17 -9.309 7.523 -7.075 211 QG LYS 17 QG LYS 17 -8.068 7.211 -9.205 212 QD LYS 17 QD LYS 17 -8.114 9.542 -8.900 213 QE LYS 17 QE LYS 17 -6.728 9.662 -7.042 214 QZ LYS 17 QZ LYS 17 -5.053 8.698 -8.157 215 H ILE 18 HN ILE 18 -8.420 4.237 -5.370 216 HA ILE 18 HA ILE 18 -10.720 4.910 -3.621 217 HB ILE 18 HB ILE 18 -9.352 2.197 -3.963 218 1HG1 ILE 18 2HG1 ILE 18 -12.053 1.774 -4.314 219 2HG1 ILE 18 3HG1 ILE 18 -11.871 3.373 -5.033 220 1HG2 ILE 18 2HG2 ILE 18 -11.572 3.035 -2.060 221 2HG2 ILE 18 3HG2 ILE 18 -10.989 1.377 -2.313 222 3HG2 ILE 18 1HG2 ILE 18 -9.918 2.577 -1.604 223 1HD1 ILE 18 3HD1 ILE 18 -10.263 0.881 -5.790 224 2HD1 ILE 18 1HD1 ILE 18 -11.624 1.552 -6.701 225 3HD1 ILE 18 2HD1 ILE 18 -10.123 2.478 -6.556 226 QG1 ILE 18 QG1 ILE 18 -11.962 2.574 -4.673 227 QG2 ILE 18 QG2 ILE 18 -10.826 2.330 -1.992 228 QD1 ILE 18 QD1 ILE 18 -10.670 1.637 -6.349 229 HA PRO 19 HA PRO 19 -7.088 6.128 -1.220 230 1HB PRO 19 2HB PRO 19 -8.236 6.676 1.213 231 2HB PRO 19 3HB PRO 19 -8.322 7.748 -0.214 232 1HG PRO 19 2HG PRO 19 -10.382 5.724 0.692 233 2HG PRO 19 3HG PRO 19 -10.652 7.437 0.249 234 1HD PRO 19 2HD PRO 19 -11.091 5.451 -1.516 235 2HD PRO 19 3HD PRO 19 -10.312 6.969 -2.070 236 QB PRO 19 QB PRO 19 -8.279 7.212 0.499 237 QG PRO 19 QG PRO 19 -10.517 6.580 0.471 238 QD PRO 19 QD PRO 19 -10.702 6.210 -1.793 239 H SER 20 HN SER 20 -5.607 4.900 -0.111 240 HA SER 20 HA SER 20 -6.382 2.797 1.765 241 1HB SER 20 2HB SER 20 -4.557 2.138 -0.599 242 2HB SER 20 3HB SER 20 -5.085 1.051 0.687 243 HG SER 20 HG SER 20 -6.966 2.300 -0.998 244 QB SER 20 QB SER 20 -4.821 1.594 0.044 245 H PHE 21 HN PHE 21 -4.080 1.803 2.478 246 HA PHE 21 HA PHE 21 -1.970 3.879 2.502 247 1HB PHE 21 2HB PHE 21 -2.810 2.011 4.766 248 2HB PHE 21 3HB PHE 21 -1.353 2.993 4.778 249 HD1 PHE 21 2HD PHE 21 -5.092 3.187 4.700 250 HD2 PHE 21 1HD PHE 21 -1.411 5.294 5.442 251 HE1 PHE 21 2HE PHE 21 -6.365 5.041 5.733 252 HE2 PHE 21 1HE PHE 21 -2.681 7.138 6.507 253 HZ PHE 21 HZ PHE 21 -5.159 7.020 6.650 254 QB PHE 21 QB PHE 21 -2.081 2.502 4.772 255 QR PHE 21 QR PHE 21 -3.887 5.165 5.595 256 OH TYR 22 OH TYR 22 4.523 5.284 -1.409 257 H TYR 22 HN TYR 22 0.201 2.979 2.487 258 HA TYR 22 HA TYR 22 0.509 0.080 2.209 259 1HB TYR 22 2HB TYR 22 1.650 0.171 0.229 260 2HB TYR 22 3HB TYR 22 0.205 1.080 -0.146 261 HD1 TYR 22 HD2 TYR 22 0.665 3.808 0.467 262 HD2 TYR 22 HD1 TYR 22 3.624 0.887 -0.699 263 HE1 TYR 22 HE2 TYR 22 2.139 5.613 -0.301 264 HE2 TYR 22 HE1 TYR 22 5.090 2.704 -1.491 265 HH TYR 22 HH TYR 22 4.081 6.131 -1.307 266 QB TYR 22 QB TYR 22 0.928 0.626 0.042 267 QR TYR 22 QR TYR 22 2.879 3.253 -0.506 268 OH TYR 23 OH TYR 23 9.164 0.103 7.694 269 H TYR 23 HN TYR 23 2.959 -0.348 2.161 270 HA TYR 23 HA TYR 23 4.342 1.572 3.987 271 1HB TYR 23 2HB TYR 23 3.973 -0.845 4.640 272 2HB TYR 23 3HB TYR 23 5.111 -1.279 3.382 273 HD1 TYR 23 HD1 TYR 23 7.490 -0.433 3.515 274 HD2 TYR 23 HD2 TYR 23 4.724 -0.193 6.779 275 HE1 TYR 23 HE1 TYR 23 9.358 -0.433 5.142 276 HE2 TYR 23 HE2 TYR 23 6.586 0.220 8.352 277 HH TYR 23 HH TYR 23 9.199 0.982 8.091 278 QB TYR 23 QB TYR 23 4.542 -1.062 4.011 279 QR TYR 23 QR TYR 23 7.040 -0.210 5.947 280 H LYS 24 HN LYS 24 5.699 2.991 2.966 281 HA LYS 24 HA LYS 24 6.644 2.352 0.238 282 1HB LYS 24 2HB LYS 24 5.786 4.572 0.861 283 2HB LYS 24 3HB LYS 24 7.132 4.801 1.981 284 1HG LYS 24 2HG LYS 24 8.724 4.543 0.050 285 2HG LYS 24 3HG LYS 24 7.321 4.319 -1.024 286 1HD LYS 24 2HD LYS 24 6.523 6.626 -0.345 287 2HD LYS 24 3HD LYS 24 7.963 6.797 0.657 288 1HE LYS 24 2HE LYS 24 8.311 7.980 -1.408 289 2HE LYS 24 3HE LYS 24 9.399 6.585 -1.373 290 1HZ LYS 24 3HZ LYS 24 6.797 6.663 -2.778 291 2HZ LYS 24 1HZ LYS 24 8.254 6.911 -3.501 292 3HZ LYS 24 2HZ LYS 24 7.896 5.445 -2.845 293 QB LYS 24 QB LYS 24 6.459 4.687 1.421 294 QG LYS 24 QG LYS 24 8.023 4.431 -0.487 295 QD LYS 24 QD LYS 24 7.243 6.711 0.156 296 QE LYS 24 QE LYS 24 8.855 7.282 -1.390 297 QZ LYS 24 QZ LYS 24 7.649 6.340 -3.041 298 CH2 TRP 25 CH2 TRP 25 11.920 -3.978 5.014 299 H TRP 25 HN TRP 25 8.092 0.635 0.510 300 HA TRP 25 HA TRP 25 9.767 0.265 2.674 301 1HB TRP 25 2HB TRP 25 9.191 -1.420 0.967 302 2HB TRP 25 3HB TRP 25 10.315 -0.665 -0.165 303 HD1 TRP 25 HD1 TRP 25 12.789 -1.407 -0.008 304 HE1 TRP 25 HE1 TRP 25 14.205 -2.819 1.561 305 HE3 TRP 25 HE3 TRP 25 9.299 -2.289 3.622 306 HZ2 TRP 25 HZ2 TRP 25 13.881 -4.166 4.118 307 HZ3 TRP 25 HZ3 TRP 25 9.878 -3.632 5.618 308 HH2 TRP 25 HH2 TRP 25 12.147 -4.609 5.861 309 QB TRP 25 QB TRP 25 9.753 -1.043 0.401 310 H LYS 26 HN LYS 26 10.516 2.021 -0.328 311 HA LYS 26 HA LYS 26 13.262 2.424 0.079 312 1HB LYS 26 2HB LYS 26 11.810 3.009 -1.943 313 2HB LYS 26 3HB LYS 26 11.338 4.465 -1.061 314 1HG LYS 26 2HG LYS 26 14.027 4.712 -0.804 315 2HG LYS 26 3HG LYS 26 14.054 3.684 -2.222 316 1HD LYS 26 2HD LYS 26 12.445 6.277 -2.005 317 2HD LYS 26 3HD LYS 26 14.133 6.292 -2.460 318 1HE LYS 26 2HE LYS 26 12.040 4.707 -4.027 319 2HE LYS 26 3HE LYS 26 12.433 6.402 -4.358 320 1HZ LYS 26 2HZ LYS 26 14.714 5.759 -4.743 321 2HZ LYS 26 3HZ LYS 26 14.341 4.169 -4.527 322 3HZ LYS 26 1HZ LYS 26 13.687 5.011 -5.778 323 QB LYS 26 QB LYS 26 11.574 3.737 -1.502 324 QG LYS 26 QG LYS 26 14.041 4.198 -1.513 325 QD LYS 26 QD LYS 26 13.289 6.285 -2.232 326 QE LYS 26 QE LYS 26 12.236 5.555 -4.192 327 QZ LYS 26 QZ LYS 26 14.247 4.980 -5.016 328 H ALA 27 HN ALA 27 10.480 4.053 1.600 329 HA ALA 27 HA ALA 27 12.236 5.977 3.041 330 1HB ALA 27 1HB ALA 27 10.235 6.845 1.853 331 2HB ALA 27 2HB ALA 27 9.204 5.792 2.854 332 3HB ALA 27 3HB ALA 27 10.148 7.093 3.610 333 QB ALA 27 QB ALA 27 9.862 6.577 2.772 334 H LYS 28 HN LYS 28 10.549 3.007 3.375 335 HA LYS 28 HA LYS 28 10.237 1.543 4.942 336 1HB LYS 28 2HB LYS 28 12.328 3.019 6.581 337 2HB LYS 28 3HB LYS 28 11.670 1.410 6.926 338 1HG LYS 28 2HG LYS 28 12.466 0.656 4.657 339 2HG LYS 28 3HG LYS 28 13.255 2.218 4.460 340 1HD LYS 28 2HD LYS 28 15.038 1.544 5.612 341 2HD LYS 28 3HD LYS 28 14.068 1.198 7.036 342 1HE LYS 28 2HE LYS 28 14.507 -0.708 4.675 343 2HE LYS 28 3HE LYS 28 15.395 -0.768 6.203 344 1HZ LYS 28 3HZ LYS 28 12.482 -1.145 5.936 345 2HZ LYS 28 1HZ LYS 28 13.590 -2.334 6.163 346 3HZ LYS 28 2HZ LYS 28 13.336 -1.214 7.341 347 QB LYS 28 QB LYS 28 11.999 2.214 6.753 348 QG LYS 28 QG LYS 28 12.860 1.437 4.558 349 QD LYS 28 QD LYS 28 14.553 1.371 6.324 350 QE LYS 28 QE LYS 28 14.951 -0.738 5.439 351 QZ LYS 28 QZ LYS 28 13.136 -1.564 6.480 352 H GLN 29 HN GLN 29 8.225 3.387 4.790 353 HA GLN 29 HA GLN 29 7.171 3.180 7.518 354 1HB GLN 29 2HB GLN 29 6.523 5.588 7.589 355 2HB GLN 29 3HB GLN 29 8.265 5.301 7.748 356 1HG GLN 29 2HG GLN 29 8.675 5.962 5.461 357 2HG GLN 29 3HG GLN 29 6.942 6.071 5.114 358 1HE2 GLN 29 2HE2 GLN 29 8.675 9.407 6.226 359 2HE2 GLN 29 1HE2 GLN 29 9.462 8.066 5.415 360 QB GLN 29 QB GLN 29 7.394 5.445 7.669 361 QG GLN 29 QG GLN 29 7.809 6.017 5.288 362 QE2 GLN 29 QE2 GLN 29 9.068 8.737 5.821 363 H CYS 30 HN CYS 30 4.922 3.719 7.708 364 HA CYS 30 HA CYS 30 3.361 2.820 5.406 365 1HB CYS 30 2HB CYS 30 2.567 3.642 8.207 366 2HB CYS 30 3HB CYS 30 1.464 3.017 6.976 367 QB CYS 30 QB CYS 30 2.015 3.329 7.592 368 H LEU 31 HN LEU 31 2.123 4.109 4.094 369 HA LEU 31 HA LEU 31 1.739 6.979 4.763 370 1HB LEU 31 2HB LEU 31 2.725 5.863 2.108 371 2HB LEU 31 3HB LEU 31 2.401 7.561 2.447 372 HG LEU 31 HG LEU 31 4.650 5.877 3.635 373 1HD1 LEU 31 2HD1 LEU 31 4.783 6.509 1.204 374 2HD1 LEU 31 3HD1 LEU 31 4.715 8.211 1.676 375 3HD1 LEU 31 1HD1 LEU 31 6.080 7.202 2.206 376 1HD2 LEU 31 1HD2 LEU 31 4.003 8.849 3.951 377 2HD2 LEU 31 2HD2 LEU 31 4.024 7.652 5.254 378 3HD2 LEU 31 3HD2 LEU 31 5.529 8.078 4.439 379 QB LEU 31 QB LEU 31 2.563 6.712 2.278 380 QD1 LEU 31 QD1 LEU 31 5.193 7.307 1.695 381 QD2 LEU 31 QD2 LEU 31 4.519 8.193 4.548 382 QQD LEU 31 QQD LEU 31 4.856 7.750 3.122 383 HA PRO 32 HA PRO 32 -2.244 6.031 2.754 384 1HB PRO 32 2HB PRO 32 -3.193 8.520 2.291 385 2HB PRO 32 3HB PRO 32 -3.020 7.877 3.944 386 1HG PRO 32 2HG PRO 32 -1.078 9.664 2.449 387 2HG PRO 32 3HG PRO 32 -1.726 9.902 4.099 388 1HD PRO 32 2HD PRO 32 0.700 8.750 3.625 389 2HD PRO 32 3HD PRO 32 -0.340 8.201 4.973 390 QB PRO 32 QB PRO 32 -3.106 8.199 3.118 391 QG PRO 32 QG PRO 32 -1.402 9.783 3.274 392 QD PRO 32 QD PRO 32 0.180 8.476 4.299 393 H PHE 33 HN PHE 33 -3.215 6.187 0.561 394 HA PHE 33 HA PHE 33 -2.228 7.940 -1.431 395 1HB PHE 33 2HB PHE 33 -1.046 6.581 -2.876 396 2HB PHE 33 3HB PHE 33 -0.351 6.139 -1.350 397 HD1 PHE 33 2HD PHE 33 -1.600 3.989 -0.140 398 HD2 PHE 33 1HD PHE 33 -1.876 4.994 -4.282 399 HE1 PHE 33 2HE PHE 33 -1.937 1.589 -0.704 400 HE2 PHE 33 1HE PHE 33 -2.134 2.581 -4.874 401 HZ PHE 33 HZ PHE 33 -2.106 0.874 -3.066 402 QB PHE 33 QB PHE 33 -0.699 6.360 -2.113 403 QR PHE 33 QR PHE 33 -1.887 3.288 -2.500 404 H ASP 34 HN ASP 34 -3.249 6.943 -3.779 405 HA ASP 34 HA ASP 34 -5.932 5.833 -3.150 406 1HB ASP 34 2HB ASP 34 -4.948 7.638 -5.401 407 2HB ASP 34 3HB ASP 34 -6.430 6.725 -5.420 408 QB ASP 34 QB ASP 34 -5.689 7.182 -5.410 409 OH TYR 35 OH TYR 35 -5.239 -3.757 -6.494 410 H TYR 35 HN TYR 35 -6.100 3.780 -3.798 411 HA TYR 35 HA TYR 35 -4.226 2.585 -5.761 412 1HB TYR 35 2HB TYR 35 -4.630 1.403 -3.676 413 2HB TYR 35 3HB TYR 35 -6.374 1.540 -3.886 414 HD1 TYR 35 HD1 TYR 35 -3.467 0.332 -5.977 415 HD2 TYR 35 HD2 TYR 35 -7.458 -0.424 -4.528 416 HE1 TYR 35 HE1 TYR 35 -3.601 -1.714 -7.339 417 HE2 TYR 35 HE2 TYR 35 -7.295 -2.730 -5.515 418 HH TYR 35 HH TYR 35 -5.051 -4.052 -7.397 419 QB TYR 35 QB TYR 35 -5.502 1.472 -3.781 420 QR TYR 35 QR TYR 35 -5.455 -1.134 -5.840 421 H SER 36 HN SER 36 -5.003 1.579 -7.748 422 HA SER 36 HA SER 36 -7.324 2.954 -8.824 423 1HB SER 36 2HB SER 36 -6.768 1.942 -10.890 424 2HB SER 36 3HB SER 36 -5.292 2.525 -10.160 425 HG SER 36 HG SER 36 -4.639 0.506 -9.751 426 QB SER 36 QB SER 36 -6.030 2.233 -10.525 427 H GLY 37 HN GLY 37 -6.535 -0.515 -8.649 428 1HA GLY 37 1HA GLY 37 -8.613 -1.830 -7.516 429 2HA GLY 37 2HA GLY 37 -9.404 -1.185 -8.954 430 QA GLY 37 QA GLY 37 -9.008 -1.507 -8.235 431 H CYS 38 HN CYS 38 -6.568 -1.480 -10.320 432 HA CYS 38 HA CYS 38 -7.103 -4.256 -11.286 433 1HB CYS 38 2HB CYS 38 -5.455 -1.957 -12.344 434 2HB CYS 38 3HB CYS 38 -5.367 -3.596 -13.010 435 QB CYS 38 QB CYS 38 -5.411 -2.776 -12.677 436 H GLY 39 HN GLY 39 -4.002 -4.160 -11.892 437 1HA GLY 39 1HA GLY 39 -3.209 -6.239 -10.585 438 2HA GLY 39 2HA GLY 39 -2.075 -4.916 -10.864 439 QA GLY 39 QA GLY 39 -2.642 -5.577 -10.725 440 H GLY 40 HN GLY 40 -2.293 -3.101 -9.076 441 1HA GLY 40 1HA GLY 40 -1.571 -2.617 -6.943 442 2HA GLY 40 2HA GLY 40 -2.871 -3.667 -6.355 443 QA GLY 40 QA GLY 40 -2.221 -3.142 -6.649 444 H ASN 41 HN ASN 41 -1.272 -4.231 -4.606 445 HA ASN 41 HA ASN 41 0.001 -6.739 -5.263 446 1HB ASN 41 2HB ASN 41 2.098 -6.106 -4.124 447 2HB ASN 41 3HB ASN 41 1.867 -5.214 -5.611 448 1HD2 ASN 41 2HD2 ASN 41 2.866 -2.390 -3.700 449 2HD2 ASN 41 1HD2 ASN 41 3.259 -3.600 -4.894 450 QB ASN 41 QB ASN 41 1.983 -5.660 -4.867 451 QD2 ASN 41 QD2 ASN 41 3.062 -2.995 -4.297 452 H ALA 42 HN ALA 42 1.113 -7.253 -2.796 453 HA ALA 42 HA ALA 42 -1.281 -7.421 -1.099 454 1HB ALA 42 1HB ALA 42 1.538 -8.515 -0.842 455 2HB ALA 42 2HB ALA 42 0.247 -8.803 0.341 456 3HB ALA 42 3HB ALA 42 0.085 -9.389 -1.328 457 QB ALA 42 QB ALA 42 0.623 -8.902 -0.609 458 H ASN 43 HN ASN 43 1.018 -4.978 -1.493 459 HA ASN 43 HA ASN 43 1.305 -4.322 1.375 460 1HB ASN 43 2HB ASN 43 3.216 -4.191 -0.362 461 2HB ASN 43 3HB ASN 43 2.376 -2.798 -1.040 462 1HD2 ASN 43 2HD2 ASN 43 4.820 -1.285 1.190 463 2HD2 ASN 43 1HD2 ASN 43 4.813 -2.183 -0.281 464 QB ASN 43 QB ASN 43 2.796 -3.495 -0.701 465 QD2 ASN 43 QD2 ASN 43 4.816 -1.734 0.454 466 NH1 ARG 44 NH2 ARG 44 -6.827 -2.776 -1.976 467 NH2 ARG 44 NH1 ARG 44 -6.164 -4.344 -3.560 468 H ARG 44 HN ARG 44 -1.262 -4.197 1.172 469 HA ARG 44 HA ARG 44 -1.927 -1.348 0.748 470 1HB ARG 44 2HB ARG 44 -2.191 -2.480 -1.460 471 2HB ARG 44 3HB ARG 44 -3.456 -3.501 -0.739 472 1HG ARG 44 2HG ARG 44 -4.823 -1.520 -0.275 473 2HG ARG 44 3HG ARG 44 -3.489 -0.445 -0.665 474 1HD ARG 44 2HD ARG 44 -5.226 -0.598 -2.464 475 2HD ARG 44 3HD ARG 44 -3.568 -0.905 -2.966 476 HE ARG 44 HE ARG 44 -4.048 -3.013 -3.588 477 1HH1 ARG 44 2HH2 ARG 44 -6.618 -1.932 -1.463 478 2HH1 ARG 44 1HH2 ARG 44 -7.723 -3.219 -1.849 479 1HH2 ARG 44 2HH1 ARG 44 -5.556 -4.586 -4.336 480 2HH2 ARG 44 1HH1 ARG 44 -7.012 -4.875 -3.439 481 QB ARG 44 QB ARG 44 -2.824 -2.991 -1.099 482 QG ARG 44 QG ARG 44 -4.156 -0.982 -0.470 483 QD ARG 44 QD ARG 44 -4.397 -0.751 -2.715 484 QH1 ARG 44 QH2 ARG 44 -7.170 -2.575 -1.656 485 QH2 ARG 44 QH1 ARG 44 -6.284 -4.731 -3.887 486 H PHE 45 HN PHE 45 -3.064 -0.695 2.400 487 HA PHE 45 HA PHE 45 -4.719 -2.559 4.089 488 1HB PHE 45 2HB PHE 45 -2.852 -0.363 5.004 489 2HB PHE 45 3HB PHE 45 -3.739 -1.508 5.991 490 HD1 PHE 45 2HD PHE 45 -3.030 -3.935 6.076 491 HD2 PHE 45 1HD PHE 45 -0.808 -1.018 3.811 492 HE1 PHE 45 2HE PHE 45 -1.052 -5.408 6.116 493 HE2 PHE 45 1HE PHE 45 1.201 -2.467 3.922 494 HZ PHE 45 HZ PHE 45 1.097 -4.642 5.103 495 QB PHE 45 QB PHE 45 -3.295 -0.936 5.497 496 QR PHE 45 QR PHE 45 -0.922 -3.207 4.981 497 H LYS 46 HN LYS 46 -6.588 -1.657 4.930 498 HA LYS 46 HA LYS 46 -7.519 0.821 3.673 499 1HB LYS 46 2HB LYS 46 -8.768 -0.962 5.799 500 2HB LYS 46 3HB LYS 46 -9.521 0.471 5.076 501 1HG LYS 46 2HG LYS 46 -9.224 -0.566 2.800 502 2HG LYS 46 3HG LYS 46 -8.677 -2.058 3.596 503 1HD LYS 46 2HD LYS 46 -10.839 -2.150 4.846 504 2HD LYS 46 3HD LYS 46 -11.365 -0.667 4.020 505 1HE LYS 46 2HE LYS 46 -11.158 -1.837 1.812 506 2HE LYS 46 3HE LYS 46 -10.680 -3.322 2.656 507 1HZ LYS 46 3HZ LYS 46 -12.832 -3.316 3.736 508 2HZ LYS 46 1HZ LYS 46 -13.274 -1.948 2.933 509 3HZ LYS 46 2HZ LYS 46 -12.998 -3.338 2.101 510 QB LYS 46 QB LYS 46 -9.144 -0.246 5.438 511 QG LYS 46 QG LYS 46 -8.951 -1.312 3.198 512 QD LYS 46 QD LYS 46 -11.102 -1.409 4.433 513 QE LYS 46 QE LYS 46 -10.919 -2.579 2.234 514 QZ LYS 46 QZ LYS 46 -13.035 -2.867 2.923 515 H THR 47 HN THR 47 -5.616 0.092 6.485 516 HA THR 47 HA THR 47 -6.009 2.906 7.392 517 HB THR 47 HB THR 47 -6.191 2.319 9.680 518 HG1 THR 47 1HG THR 47 -6.452 -0.070 10.077 519 1HG2 THR 47 2HG2 THR 47 -8.329 2.233 8.353 520 2HG2 THR 47 3HG2 THR 47 -8.127 0.469 8.221 521 3HG2 THR 47 1HG2 THR 47 -8.341 1.227 9.810 522 QG2 THR 47 QG2 THR 47 -8.266 1.310 8.795 523 H ILE 48 HN ILE 48 -4.291 3.839 8.453 524 HA ILE 48 HA ILE 48 -1.663 2.910 7.924 525 HB ILE 48 HB ILE 48 -2.506 5.318 8.605 526 1HG1 ILE 48 2HG1 ILE 48 -0.361 5.791 9.961 527 2HG1 ILE 48 3HG1 ILE 48 0.032 4.080 9.736 528 1HG2 ILE 48 1HG2 ILE 48 -3.644 4.528 10.704 529 2HG2 ILE 48 2HG2 ILE 48 -2.032 4.254 11.417 530 3HG2 ILE 48 3HG2 ILE 48 -2.517 5.881 10.932 531 1HD1 ILE 48 1HD1 ILE 48 -0.157 4.451 7.249 532 2HD1 ILE 48 2HD1 ILE 48 -0.474 6.169 7.572 533 3HD1 ILE 48 3HD1 ILE 48 1.083 5.463 8.028 534 QG1 ILE 48 QG1 ILE 48 -0.164 4.936 9.848 535 QG2 ILE 48 QG2 ILE 48 -2.731 4.888 11.018 536 QD1 ILE 48 QD1 ILE 48 0.151 5.361 7.617 537 H GLU 49 HN GLU 49 -3.867 2.314 10.655 538 HA GLU 49 HA GLU 49 -1.791 1.235 12.294 539 1HB GLU 49 2HB GLU 49 -4.822 0.802 12.417 540 2HB GLU 49 3HB GLU 49 -3.647 0.367 13.669 541 1HG GLU 49 2HG GLU 49 -2.926 2.804 13.739 542 2HG GLU 49 3HG GLU 49 -4.315 3.182 12.701 543 QB GLU 49 QB GLU 49 -4.234 0.584 13.043 544 QG GLU 49 QG GLU 49 -3.620 2.993 13.220 545 H GLU 50 HN GLU 50 -4.083 -0.260 9.957 546 HA GLU 50 HA GLU 50 -3.274 -2.954 10.521 547 1HB GLU 50 2HB GLU 50 -4.429 -1.545 8.100 548 2HB GLU 50 3HB GLU 50 -4.036 -3.279 8.071 549 1HG GLU 50 2HG GLU 50 -5.809 -2.126 10.252 550 2HG GLU 50 3HG GLU 50 -6.454 -2.628 8.677 551 QB GLU 50 QB GLU 50 -4.233 -2.412 8.085 552 QG GLU 50 QG GLU 50 -6.131 -2.377 9.465 553 H CYS 51 HN CYS 51 -2.039 -0.535 8.158 554 HA CYS 51 HA CYS 51 0.099 -2.128 7.201 555 1HB CYS 51 2HB CYS 51 -0.489 -0.035 6.094 556 2HB CYS 51 3HB CYS 51 -0.025 0.905 7.506 557 QB CYS 51 QB CYS 51 -0.257 0.435 6.800 558 NH1 ARG 52 NH2 ARG 52 2.565 5.202 14.332 559 NH2 ARG 52 NH1 ARG 52 2.683 5.809 12.097 560 H ARG 52 HN ARG 52 0.194 0.274 9.878 561 HA ARG 52 HA ARG 52 2.872 -0.177 10.550 562 1HB ARG 52 2HB ARG 52 1.337 1.653 11.307 563 2HB ARG 52 3HB ARG 52 0.631 0.541 12.487 564 1HG ARG 52 2HG ARG 52 2.762 0.297 13.632 565 2HG ARG 52 3HG ARG 52 3.622 1.158 12.346 566 1HD ARG 52 2HD ARG 52 1.485 2.406 14.120 567 2HD ARG 52 3HD ARG 52 3.244 2.522 14.374 568 HE ARG 52 HE ARG 52 2.518 3.332 11.704 569 1HH1 ARG 52 2HH2 ARG 52 2.467 4.478 15.029 570 2HH1 ARG 52 1HH2 ARG 52 2.625 6.162 14.636 571 1HH2 ARG 52 2HH1 ARG 52 2.697 5.562 11.117 572 2HH2 ARG 52 1HH1 ARG 52 2.745 6.787 12.341 573 QB ARG 52 QB ARG 52 0.984 1.097 11.897 574 QG ARG 52 QG ARG 52 3.192 0.728 12.989 575 QD ARG 52 QD ARG 52 2.365 2.464 14.247 576 QH1 ARG 52 QH2 ARG 52 2.546 5.320 14.832 577 QH2 ARG 52 QH1 ARG 52 2.721 6.175 11.729 578 NH1 ARG 53 NH2 ARG 53 -0.722 -3.954 18.210 579 NH2 ARG 53 NH1 ARG 53 1.459 -3.366 17.926 580 H ARG 53 HN ARG 53 -0.030 -1.855 11.762 581 HA ARG 53 HA ARG 53 1.274 -3.484 13.727 582 1HB ARG 53 2HB ARG 53 -1.299 -3.839 12.145 583 2HB ARG 53 3HB ARG 53 -0.838 -4.891 13.475 584 1HG ARG 53 2HG ARG 53 -1.002 -1.896 13.989 585 2HG ARG 53 3HG ARG 53 -2.479 -2.838 13.787 586 1HD ARG 53 2HD ARG 53 -2.079 -2.718 16.080 587 2HD ARG 53 3HD ARG 53 -1.722 -4.385 15.589 588 HE ARG 53 HE ARG 53 0.698 -2.825 15.544 589 1HH1 ARG 53 2HH2 ARG 53 -1.647 -4.067 17.833 590 2HH1 ARG 53 1HH2 ARG 53 -0.539 -4.195 19.171 591 1HH2 ARG 53 2HH1 ARG 53 2.300 -3.176 17.370 592 2HH2 ARG 53 1HH1 ARG 53 1.695 -3.613 18.872 593 QB ARG 53 QB ARG 53 -1.069 -4.365 12.810 594 QG ARG 53 QG ARG 53 -1.741 -2.367 13.888 595 QD ARG 53 QD ARG 53 -1.901 -3.552 15.835 596 QH1 ARG 53 QH2 ARG 53 -1.093 -4.131 18.502 597 QH2 ARG 53 QH1 ARG 53 1.998 -3.394 18.121 598 H THR 54 HN THR 54 0.660 -3.909 10.228 599 HA THR 54 HA THR 54 1.503 -6.676 10.233 600 HB THR 54 HB THR 54 1.298 -4.669 7.944 601 HG1 THR 54 1HG THR 54 -0.664 -4.958 8.972 602 1HG2 THR 54 1HG2 THR 54 1.407 -7.722 7.987 603 2HG2 THR 54 2HG2 THR 54 1.011 -6.732 6.572 604 3HG2 THR 54 3HG2 THR 54 2.632 -6.640 7.281 605 QG2 THR 54 QG2 THR 54 1.683 -7.031 7.280 606 H CYS 55 HN CYS 55 3.094 -3.601 9.204 607 HA CYS 55 HA CYS 55 5.480 -5.170 8.545 608 1HB CYS 55 2HB CYS 55 4.599 -3.502 7.046 609 2HB CYS 55 3HB CYS 55 5.233 -2.244 8.113 610 QB CYS 55 QB CYS 55 4.916 -2.873 7.579 611 H VAL 56 HN VAL 56 4.647 -2.571 10.799 612 HA VAL 56 HA VAL 56 7.265 -2.676 12.218 613 HB VAL 56 HB VAL 56 4.884 -0.851 12.732 614 1HG1 VAL 56 1HG1 VAL 56 7.771 -0.844 13.640 615 2HG1 VAL 56 2HG1 VAL 56 6.897 0.679 13.450 616 3HG1 VAL 56 3HG1 VAL 56 6.287 -0.503 14.570 617 1HG2 VAL 56 2HG2 VAL 56 7.250 -0.393 10.875 618 2HG2 VAL 56 3HG2 VAL 56 5.538 -0.478 10.403 619 3HG2 VAL 56 1HG2 VAL 56 6.103 0.859 11.383 620 QG1 VAL 56 QG1 VAL 56 6.985 -0.223 13.886 621 QG2 VAL 56 QG2 VAL 56 6.297 -0.004 10.887 622 QQG VAL 56 QQG VAL 56 6.641 -0.113 12.387 623 H GLY 57 HN GLY 57 6.150 -2.292 14.840 624 1HA GLY 57 1HA GLY 57 4.375 -4.564 15.333 625 2HA GLY 57 2HA GLY 57 5.982 -4.595 16.106 626 QA GLY 57 QA GLY 57 5.178 -4.580 15.720 Start of MODEL 5 Raw file had 626 H/Q atoms Start of MODEL 5 1 H ALA 1 HN ALA 1 9.394 -7.304 10.495 2 HA ALA 1 HA ALA 1 7.521 -6.426 9.200 3 1HB ALA 1 2HB ALA 1 10.255 -5.874 7.958 4 2HB ALA 1 3HB ALA 1 8.802 -4.896 7.721 5 3HB ALA 1 1HB ALA 1 9.515 -5.024 9.332 6 QB ALA 1 QB ALA 1 9.524 -5.265 8.337 7 H ALA 2 HN ALA 2 6.101 -7.484 7.965 8 HA ALA 2 HA ALA 2 6.025 -9.602 6.463 9 1HB ALA 2 2HB ALA 2 4.763 -6.904 5.877 10 2HB ALA 2 3HB ALA 2 4.291 -8.386 5.030 11 3HB ALA 2 1HB ALA 2 4.086 -8.265 6.790 12 QB ALA 2 QB ALA 2 4.380 -7.852 5.899 13 H LYS 3 HN LYS 3 7.067 -10.517 4.771 14 HA LYS 3 HA LYS 3 9.064 -9.438 3.252 15 1HB LYS 3 2HB LYS 3 7.439 -11.847 3.214 16 2HB LYS 3 3HB LYS 3 7.687 -11.315 1.553 17 1HG LYS 3 2HG LYS 3 10.049 -11.344 1.762 18 2HG LYS 3 3HG LYS 3 10.000 -11.572 3.516 19 1HD LYS 3 2HD LYS 3 8.616 -13.603 1.747 20 2HD LYS 3 3HD LYS 3 10.370 -13.629 1.764 21 1HE LYS 3 2HE LYS 3 8.689 -13.756 4.318 22 2HE LYS 3 3HE LYS 3 9.190 -15.189 3.414 23 1HZ LYS 3 1HZ LYS 3 11.055 -13.230 4.578 24 2HZ LYS 3 2HZ LYS 3 10.705 -14.711 5.193 25 3HZ LYS 3 3HZ LYS 3 11.467 -14.589 3.747 26 QB LYS 3 QB LYS 3 7.563 -11.581 2.384 27 QG LYS 3 QG LYS 3 10.024 -11.458 2.639 28 QD LYS 3 QD LYS 3 9.493 -13.616 1.756 29 QE LYS 3 QE LYS 3 8.940 -14.472 3.866 30 QZ LYS 3 QZ LYS 3 11.076 -14.177 4.506 31 OH TYR 4 OH TYR 4 0.710 -8.684 4.986 32 H TYR 4 HN TYR 4 5.636 -9.591 2.112 33 HA TYR 4 HA TYR 4 6.092 -8.316 -0.344 34 1HB TYR 4 2HB TYR 4 3.652 -7.911 -0.296 35 2HB TYR 4 3HB TYR 4 4.144 -9.568 0.055 36 HD1 TYR 4 HD2 TYR 4 2.711 -6.473 1.544 37 HD2 TYR 4 HD1 TYR 4 3.652 -10.640 2.148 38 HE1 TYR 4 HE2 TYR 4 1.151 -6.553 3.458 39 HE2 TYR 4 HE1 TYR 4 2.191 -10.675 4.146 40 HH TYR 4 HH TYR 4 0.123 -7.927 5.037 41 QB TYR 4 QB TYR 4 3.898 -8.740 -0.120 42 QR TYR 4 QR TYR 4 2.426 -8.585 2.824 43 H CYS 5 HN CYS 5 6.078 -6.901 2.782 44 HA CYS 5 HA CYS 5 5.139 -4.270 2.300 45 1HB CYS 5 2HB CYS 5 5.744 -5.393 4.462 46 2HB CYS 5 3HB CYS 5 7.454 -5.071 4.089 47 QB CYS 5 QB CYS 5 6.599 -5.232 4.276 48 H LYS 6 HN LYS 6 8.099 -5.874 1.294 49 HA LYS 6 HA LYS 6 9.626 -3.549 0.555 50 1HB LYS 6 2HB LYS 6 10.647 -5.648 1.034 51 2HB LYS 6 3HB LYS 6 9.709 -6.484 -0.218 52 1HG LYS 6 2HG LYS 6 10.894 -5.600 -1.946 53 2HG LYS 6 3HG LYS 6 11.401 -4.150 -1.041 54 1HD LYS 6 2HD LYS 6 13.029 -5.266 0.196 55 2HD LYS 6 3HD LYS 6 12.386 -6.876 -0.195 56 1HE LYS 6 2HE LYS 6 13.094 -6.706 -2.521 57 2HE LYS 6 3HE LYS 6 13.551 -5.006 -2.325 58 1HZ LYS 6 2HZ LYS 6 14.884 -7.272 -0.993 59 2HZ LYS 6 3HZ LYS 6 15.442 -6.478 -2.317 60 3HZ LYS 6 1HZ LYS 6 15.322 -5.689 -0.883 61 QB LYS 6 QB LYS 6 10.178 -6.066 0.408 62 QG LYS 6 QG LYS 6 11.148 -4.875 -1.493 63 QD LYS 6 QD LYS 6 12.708 -6.071 0.000 64 QE LYS 6 QE LYS 6 13.322 -5.856 -2.423 65 QZ LYS 6 QZ LYS 6 15.216 -6.480 -1.398 66 H LEU 7 HN LEU 7 6.839 -5.046 -0.997 67 HA LEU 7 HA LEU 7 7.438 -4.270 -3.664 68 1HB LEU 7 2HB LEU 7 4.825 -4.551 -2.157 69 2HB LEU 7 3HB LEU 7 4.909 -4.230 -3.879 70 HG LEU 7 HG LEU 7 6.479 -6.587 -2.881 71 1HD1 LEU 7 3HD1 LEU 7 3.683 -6.425 -2.319 72 2HD1 LEU 7 1HD1 LEU 7 3.876 -7.497 -3.726 73 3HD1 LEU 7 2HD1 LEU 7 4.764 -7.833 -2.252 74 1HD2 LEU 7 3HD2 LEU 7 6.556 -5.843 -5.264 75 2HD2 LEU 7 1HD2 LEU 7 5.868 -7.471 -5.082 76 3HD2 LEU 7 2HD2 LEU 7 4.798 -6.085 -5.374 77 QB LEU 7 QB LEU 7 4.867 -4.391 -3.018 78 QD1 LEU 7 QD1 LEU 7 4.108 -7.251 -2.766 79 QD2 LEU 7 QD2 LEU 7 5.741 -6.466 -5.240 80 QQD LEU 7 QQD LEU 7 4.924 -6.859 -4.003 81 HA PRO 8 HA PRO 8 7.209 0.117 -3.032 82 1HB PRO 8 2HB PRO 8 7.181 1.048 -5.600 83 2HB PRO 8 3HB PRO 8 8.555 0.097 -4.964 84 1HG PRO 8 2HG PRO 8 6.177 -0.941 -6.545 85 2HG PRO 8 3HG PRO 8 7.911 -1.162 -6.929 86 1HD PRO 8 2HD PRO 8 6.495 -3.050 -5.529 87 2HD PRO 8 3HD PRO 8 8.204 -2.673 -5.128 88 QB PRO 8 QB PRO 8 7.868 0.573 -5.282 89 QG PRO 8 QG PRO 8 7.044 -1.051 -6.737 90 QD PRO 8 QD PRO 8 7.350 -2.862 -5.328 91 H LEU 9 HN LEU 9 5.921 2.079 -4.008 92 HA LEU 9 HA LEU 9 3.142 1.950 -3.540 93 1HB LEU 9 2HB LEU 9 4.424 4.052 -3.595 94 2HB LEU 9 3HB LEU 9 4.781 3.825 -5.304 95 HG LEU 9 HG LEU 9 2.496 4.194 -5.944 96 1HD1 LEU 9 2HD1 LEU 9 1.838 4.034 -2.981 97 2HD1 LEU 9 3HD1 LEU 9 0.775 4.812 -4.132 98 3HD1 LEU 9 1HD1 LEU 9 1.135 3.093 -4.292 99 1HD2 LEU 9 3HD2 LEU 9 3.898 6.178 -5.420 100 2HD2 LEU 9 1HD2 LEU 9 2.173 6.484 -5.150 101 3HD2 LEU 9 2HD2 LEU 9 3.243 6.191 -3.767 102 QB LEU 9 QB LEU 9 4.603 3.938 -4.449 103 QD1 LEU 9 QD1 LEU 9 1.249 3.980 -3.802 104 QD2 LEU 9 QD2 LEU 9 3.105 6.284 -4.779 105 QQD LEU 9 QQD LEU 9 2.177 5.132 -4.290 106 NH1 ARG 10 NH2 ARG 10 2.944 -3.772 -10.695 107 NH2 ARG 10 NH1 ARG 10 3.994 -5.244 -9.249 108 H ARG 10 HN ARG 10 1.585 1.044 -4.685 109 HA ARG 10 HA ARG 10 1.993 0.330 -7.549 110 1HB ARG 10 2HB ARG 10 2.603 -1.525 -5.999 111 2HB ARG 10 3HB ARG 10 1.022 -1.368 -5.223 112 1HG ARG 10 2HG ARG 10 0.797 -3.208 -6.712 113 2HG ARG 10 3HG ARG 10 -0.053 -1.852 -7.442 114 1HD ARG 10 2HD ARG 10 0.952 -2.723 -9.248 115 2HD ARG 10 3HD ARG 10 2.173 -1.506 -8.828 116 HE ARG 10 HE ARG 10 2.937 -3.803 -7.466 117 1HH1 ARG 10 2HH2 ARG 10 2.359 -2.962 -10.836 118 2HH1 ARG 10 1HH2 ARG 10 3.304 -4.254 -11.505 119 1HH2 ARG 10 2HH1 ARG 10 4.177 -5.584 -8.317 120 2HH2 ARG 10 1HH1 ARG 10 4.383 -5.759 -10.027 121 QB ARG 10 QB ARG 10 1.813 -1.447 -5.611 122 QG ARG 10 QG ARG 10 0.372 -2.530 -7.077 123 QD ARG 10 QD ARG 10 1.562 -2.114 -9.038 124 QH1 ARG 10 QH2 ARG 10 2.832 -3.608 -11.170 125 QH2 ARG 10 QH1 ARG 10 4.280 -5.671 -9.172 126 H ILE 11 HN ILE 11 0.589 2.064 -8.134 127 HA ILE 11 HA ILE 11 -2.046 2.285 -6.965 128 HB ILE 11 HB ILE 11 -1.179 3.327 -9.672 129 1HG1 ILE 11 2HG1 ILE 11 0.566 4.170 -8.278 130 2HG1 ILE 11 3HG1 ILE 11 -0.661 5.445 -8.361 131 1HG2 ILE 11 3HG2 ILE 11 -3.292 4.087 -7.600 132 2HG2 ILE 11 1HG2 ILE 11 -2.847 5.158 -8.929 133 3HG2 ILE 11 2HG2 ILE 11 -3.554 3.566 -9.259 134 1HD1 ILE 11 3HD1 ILE 11 -1.615 4.866 -6.315 135 2HD1 ILE 11 1HD1 ILE 11 -0.302 3.687 -6.003 136 3HD1 ILE 11 2HD1 ILE 11 0.061 5.422 -6.183 137 QG1 ILE 11 QG1 ILE 11 -0.048 4.808 -8.320 138 QG2 ILE 11 QG2 ILE 11 -3.231 4.270 -8.596 139 QD1 ILE 11 QD1 ILE 11 -0.619 4.658 -6.167 140 H GLY 12 HN GLY 12 -0.620 0.608 -9.673 141 1HA GLY 12 1HA GLY 12 -1.448 -1.276 -10.785 142 2HA GLY 12 2HA GLY 12 -3.070 -0.993 -10.122 143 QA GLY 12 QA GLY 12 -2.259 -1.134 -10.454 144 HA PRO 13 HA PRO 13 -2.321 1.176 -14.263 145 1HB PRO 13 2HB PRO 13 -3.269 -0.518 -16.165 146 2HB PRO 13 3HB PRO 13 -1.636 -0.668 -15.468 147 1HG PRO 13 2HG PRO 13 -4.127 -2.183 -14.638 148 2HG PRO 13 3HG PRO 13 -2.519 -2.859 -15.040 149 1HD PRO 13 2HD PRO 13 -3.258 -2.371 -12.450 150 2HD PRO 13 3HD PRO 13 -1.585 -2.077 -13.011 151 QB PRO 13 QB PRO 13 -2.453 -0.593 -15.816 152 QG PRO 13 QG PRO 13 -3.323 -2.521 -14.839 153 QD PRO 13 QD PRO 13 -2.421 -2.224 -12.731 154 H CYS 14 HN CYS 14 -5.175 0.070 -12.471 155 HA CYS 14 HA CYS 14 -6.976 0.874 -14.630 156 1HB CYS 14 2HB CYS 14 -7.155 -0.363 -11.962 157 2HB CYS 14 3HB CYS 14 -8.526 0.562 -12.448 158 QB CYS 14 QB CYS 14 -7.840 0.099 -12.205 159 H LYS 15 HN LYS 15 -8.691 2.411 -14.185 160 HA LYS 15 HA LYS 15 -7.333 4.939 -13.332 161 1HB LYS 15 2HB LYS 15 -7.858 4.160 -15.825 162 2HB LYS 15 3HB LYS 15 -9.413 4.907 -15.511 163 1HG LYS 15 2HG LYS 15 -6.670 6.215 -15.076 164 2HG LYS 15 3HG LYS 15 -7.509 6.300 -16.600 165 1HD LYS 15 2HD LYS 15 -8.604 7.377 -13.955 166 2HD LYS 15 3HD LYS 15 -7.736 8.349 -15.132 167 1HE LYS 15 2HE LYS 15 -10.408 6.935 -15.624 168 2HE LYS 15 3HE LYS 15 -10.186 8.651 -15.287 169 1HZ LYS 15 3HZ LYS 15 -8.914 8.843 -17.318 170 2HZ LYS 15 1HZ LYS 15 -9.146 7.247 -17.657 171 3HZ LYS 15 2HZ LYS 15 -10.426 8.273 -17.618 172 QB LYS 15 QB LYS 15 -8.636 4.533 -15.668 173 QG LYS 15 QG LYS 15 -7.089 6.258 -15.838 174 QD LYS 15 QD LYS 15 -8.170 7.863 -14.543 175 QE LYS 15 QE LYS 15 -10.297 7.793 -15.456 176 QZ LYS 15 QZ LYS 15 -9.496 8.121 -17.531 177 NH1 ARG 16 NH2 ARG 16 -14.800 1.979 -11.759 178 NH2 ARG 16 NH1 ARG 16 -15.686 0.307 -10.415 179 H ARG 16 HN ARG 16 -8.460 3.626 -11.495 180 HA ARG 16 HA ARG 16 -11.099 4.761 -10.761 181 1HB ARG 16 2HB ARG 16 -9.512 2.281 -10.113 182 2HB ARG 16 3HB ARG 16 -10.473 2.961 -8.815 183 1HG ARG 16 2HG ARG 16 -11.702 2.296 -11.511 184 2HG ARG 16 3HG ARG 16 -11.477 1.111 -10.214 185 1HD ARG 16 2HD ARG 16 -12.649 2.870 -8.666 186 2HD ARG 16 3HD ARG 16 -13.271 3.572 -10.148 187 HE ARG 16 HE ARG 16 -13.928 1.054 -8.795 188 1HH1 ARG 16 2HH2 ARG 16 -14.108 2.701 -11.894 189 2HH1 ARG 16 1HH2 ARG 16 -15.464 1.794 -12.495 190 1HH2 ARG 16 2HH1 ARG 16 -15.684 -0.218 -9.552 191 2HH2 ARG 16 1HH1 ARG 16 -16.366 0.061 -11.119 192 QB ARG 16 QB ARG 16 -9.993 2.621 -9.464 193 QG ARG 16 QG ARG 16 -11.589 1.703 -10.863 194 QD ARG 16 QD ARG 16 -12.960 3.221 -9.407 195 QH1 ARG 16 QH2 ARG 16 -14.786 2.247 -12.195 196 QH2 ARG 16 QH1 ARG 16 -16.025 -0.078 -10.335 197 H LYS 17 HN LYS 17 -10.989 5.036 -8.183 198 HA LYS 17 HA LYS 17 -8.442 6.080 -7.193 199 1HB LYS 17 2HB LYS 17 -10.001 7.884 -8.515 200 2HB LYS 17 3HB LYS 17 -10.867 7.886 -7.000 201 1HG LYS 17 2HG LYS 17 -9.393 9.633 -6.797 202 2HG LYS 17 3HG LYS 17 -8.614 8.365 -5.855 203 1HD LYS 17 2HD LYS 17 -6.851 8.119 -7.454 204 2HD LYS 17 3HD LYS 17 -7.904 8.552 -8.794 205 1HE LYS 17 2HE LYS 17 -6.373 10.358 -8.589 206 2HE LYS 17 3HE LYS 17 -7.941 10.929 -8.022 207 1HZ LYS 17 2HZ LYS 17 -7.006 10.370 -5.693 208 2HZ LYS 17 3HZ LYS 17 -5.592 10.222 -6.401 209 3HZ LYS 17 1HZ LYS 17 -6.359 11.671 -6.467 210 QB LYS 17 QB LYS 17 -10.434 7.885 -7.757 211 QG LYS 17 QG LYS 17 -9.003 8.999 -6.326 212 QD LYS 17 QD LYS 17 -7.378 8.335 -8.124 213 QE LYS 17 QE LYS 17 -7.157 10.644 -8.305 214 QZ LYS 17 QZ LYS 17 -6.319 10.754 -6.187 215 H ILE 18 HN ILE 18 -8.458 4.627 -5.442 216 HA ILE 18 HA ILE 18 -10.832 4.729 -3.641 217 HB ILE 18 HB ILE 18 -9.188 2.273 -4.360 218 1HG1 ILE 18 2HG1 ILE 18 -12.092 2.988 -4.984 219 2HG1 ILE 18 3HG1 ILE 18 -10.763 2.865 -6.148 220 1HG2 ILE 18 2HG2 ILE 18 -9.911 2.351 -1.955 221 2HG2 ILE 18 3HG2 ILE 18 -11.588 2.563 -2.491 222 3HG2 ILE 18 1HG2 ILE 18 -10.699 1.064 -2.841 223 1HD1 ILE 18 2HD1 ILE 18 -10.480 0.443 -5.483 224 2HD1 ILE 18 3HD1 ILE 18 -12.012 0.584 -4.587 225 3HD1 ILE 18 1HD1 ILE 18 -11.982 0.846 -6.336 226 QG1 ILE 18 QG1 ILE 18 -11.428 2.926 -5.566 227 QG2 ILE 18 QG2 ILE 18 -10.733 1.993 -2.429 228 QD1 ILE 18 QD1 ILE 18 -11.491 0.624 -5.469 229 HA PRO 19 HA PRO 19 -7.292 6.082 -1.175 230 1HB PRO 19 2HB PRO 19 -8.477 6.313 1.292 231 2HB PRO 19 3HB PRO 19 -8.674 7.492 -0.036 232 1HG PRO 19 2HG PRO 19 -10.537 5.216 0.683 233 2HG PRO 19 3HG PRO 19 -10.964 6.933 0.407 234 1HD PRO 19 2HD PRO 19 -11.232 5.083 -1.533 235 2HD PRO 19 3HD PRO 19 -10.610 6.710 -1.953 236 QB PRO 19 QB PRO 19 -8.575 6.903 0.628 237 QG PRO 19 QG PRO 19 -10.751 6.075 0.545 238 QD PRO 19 QD PRO 19 -10.921 5.896 -1.743 239 H SER 20 HN SER 20 -5.706 4.856 -0.132 240 HA SER 20 HA SER 20 -6.457 2.670 1.637 241 1HB SER 20 2HB SER 20 -4.602 2.036 -0.715 242 2HB SER 20 3HB SER 20 -5.093 0.957 0.575 243 HG SER 20 HG SER 20 -7.160 2.130 -0.855 244 QB SER 20 QB SER 20 -4.848 1.496 -0.070 245 H PHE 21 HN PHE 21 -4.279 1.762 2.538 246 HA PHE 21 HA PHE 21 -2.141 3.831 2.512 247 1HB PHE 21 2HB PHE 21 -2.913 1.934 4.764 248 2HB PHE 21 3HB PHE 21 -1.456 2.923 4.728 249 HD1 PHE 21 2HD PHE 21 -5.195 3.091 4.781 250 HD2 PHE 21 1HD PHE 21 -1.513 5.271 5.315 251 HE1 PHE 21 2HE PHE 21 -6.463 5.018 5.672 252 HE2 PHE 21 1HE PHE 21 -2.786 7.197 6.211 253 HZ PHE 21 HZ PHE 21 -5.262 7.079 6.386 254 QB PHE 21 QB PHE 21 -2.185 2.428 4.746 255 QR PHE 21 QR PHE 21 -3.989 5.144 5.495 256 OH TYR 22 OH TYR 22 4.216 5.378 -1.343 257 H TYR 22 HN TYR 22 0.012 2.924 2.376 258 HA TYR 22 HA TYR 22 0.292 0.026 2.049 259 1HB TYR 22 2HB TYR 22 1.455 0.152 0.075 260 2HB TYR 22 3HB TYR 22 -0.017 1.015 -0.302 261 HD1 TYR 22 HD2 TYR 22 0.365 3.758 0.360 262 HD2 TYR 22 HD1 TYR 22 3.421 0.930 -0.786 263 HE1 TYR 22 HE2 TYR 22 1.825 5.615 -0.327 264 HE2 TYR 22 HE1 TYR 22 4.881 2.784 -1.444 265 HH TYR 22 HH TYR 22 5.102 5.127 -1.588 266 QB TYR 22 QB TYR 22 0.719 0.583 -0.113 267 QR TYR 22 QR TYR 22 2.623 3.272 -0.549 268 OH TYR 23 OH TYR 23 9.276 -0.595 7.094 269 H TYR 23 HN TYR 23 2.837 -0.300 1.873 270 HA TYR 23 HA TYR 23 4.154 1.735 3.648 271 1HB TYR 23 2HB TYR 23 3.840 -0.570 4.570 272 2HB TYR 23 3HB TYR 23 4.836 -1.167 3.266 273 HD1 TYR 23 HD1 TYR 23 7.222 -0.388 3.062 274 HD2 TYR 23 HD2 TYR 23 4.855 0.132 6.604 275 HE1 TYR 23 HE1 TYR 23 9.195 -0.774 4.456 276 HE2 TYR 23 HE2 TYR 23 6.896 0.054 7.985 277 HH TYR 23 HH TYR 23 10.011 -0.965 6.604 278 QB TYR 23 QB TYR 23 4.338 -0.869 3.918 279 QR TYR 23 QR TYR 23 7.042 -0.244 5.527 280 H LYS 24 HN LYS 24 5.695 2.956 2.685 281 HA LYS 24 HA LYS 24 6.705 2.052 0.009 282 1HB LYS 24 2HB LYS 24 6.061 4.410 0.225 283 2HB LYS 24 3HB LYS 24 7.231 4.614 1.517 284 1HG LYS 24 2HG LYS 24 8.250 5.401 -0.427 285 2HG LYS 24 3HG LYS 24 9.073 3.911 -0.115 286 1HD LYS 24 2HD LYS 24 7.982 2.791 -1.940 287 2HD LYS 24 3HD LYS 24 6.741 4.050 -2.064 288 1HE LYS 24 2HE LYS 24 8.460 5.728 -2.684 289 2HE LYS 24 3HE LYS 24 9.700 4.471 -2.627 290 1HZ LYS 24 1HZ LYS 24 7.378 4.517 -4.469 291 2HZ LYS 24 2HZ LYS 24 8.911 4.906 -4.871 292 3HZ LYS 24 3HZ LYS 24 8.556 3.362 -4.449 293 QB LYS 24 QB LYS 24 6.646 4.512 0.871 294 QG LYS 24 QG LYS 24 8.661 4.656 -0.271 295 QD LYS 24 QD LYS 24 7.361 3.421 -2.002 296 QE LYS 24 QE LYS 24 9.080 5.100 -2.656 297 QZ LYS 24 QZ LYS 24 8.282 4.262 -4.596 298 CH2 TRP 25 CH2 TRP 25 12.219 -4.419 4.305 299 H TRP 25 HN TRP 25 8.471 0.835 -0.034 300 HA TRP 25 HA TRP 25 9.914 0.216 2.395 301 1HB TRP 25 2HB TRP 25 9.336 -1.430 0.704 302 2HB TRP 25 3HB TRP 25 10.405 -0.664 -0.469 303 HD1 TRP 25 HD1 TRP 25 12.933 -1.149 -0.311 304 HE1 TRP 25 HE1 TRP 25 14.464 -2.601 1.132 305 HE3 TRP 25 HE3 TRP 25 9.477 -2.863 3.006 306 HZ2 TRP 25 HZ2 TRP 25 14.209 -4.301 3.474 307 HZ3 TRP 25 HZ3 TRP 25 10.133 -4.372 4.856 308 HH2 TRP 25 HH2 TRP 25 12.497 -5.096 5.100 309 QB TRP 25 QB TRP 25 9.870 -1.047 0.117 310 H LYS 26 HN LYS 26 10.658 1.969 -0.606 311 HA LYS 26 HA LYS 26 13.376 2.475 -0.100 312 1HB LYS 26 2HB LYS 26 11.778 3.027 -2.201 313 2HB LYS 26 3HB LYS 26 11.776 4.636 -1.450 314 1HG LYS 26 2HG LYS 26 14.313 4.532 -1.447 315 2HG LYS 26 3HG LYS 26 14.201 2.968 -2.249 316 1HD LYS 26 2HD LYS 26 14.706 4.527 -3.919 317 2HD LYS 26 3HD LYS 26 13.030 4.050 -4.191 318 1HE LYS 26 2HE LYS 26 12.202 6.165 -3.699 319 2HE LYS 26 3HE LYS 26 13.411 6.470 -2.447 320 1HZ LYS 26 1HZ LYS 26 13.947 6.623 -5.340 321 2HZ LYS 26 2HZ LYS 26 13.729 7.897 -4.324 322 3HZ LYS 26 3HZ LYS 26 15.025 6.915 -4.131 323 QB LYS 26 QB LYS 26 11.777 3.831 -1.826 324 QG LYS 26 QG LYS 26 14.257 3.750 -1.848 325 QD LYS 26 QD LYS 26 13.868 4.288 -4.055 326 QE LYS 26 QE LYS 26 12.807 6.318 -3.073 327 QZ LYS 26 QZ LYS 26 14.233 7.145 -4.598 328 H ALA 27 HN ALA 27 10.548 3.803 1.382 329 HA ALA 27 HA ALA 27 11.994 5.948 2.822 330 1HB ALA 27 1HB ALA 27 9.778 6.404 1.768 331 2HB ALA 27 2HB ALA 27 9.057 5.148 2.794 332 3HB ALA 27 3HB ALA 27 9.752 6.597 3.534 333 QB ALA 27 QB ALA 27 9.529 6.050 2.699 334 H LYS 28 HN LYS 28 10.333 2.867 3.225 335 HA LYS 28 HA LYS 28 9.996 1.403 4.774 336 1HB LYS 28 2HB LYS 28 12.335 2.598 6.276 337 2HB LYS 28 3HB LYS 28 11.371 1.253 6.869 338 1HG LYS 28 2HG LYS 28 12.642 -0.186 5.768 339 2HG LYS 28 3HG LYS 28 11.960 0.425 4.279 340 1HD LYS 28 2HD LYS 28 14.285 0.582 3.966 341 2HD LYS 28 3HD LYS 28 13.779 2.243 4.334 342 1HE LYS 28 2HE LYS 28 14.417 1.804 6.777 343 2HE LYS 28 3HE LYS 28 14.994 0.204 6.294 344 1HZ LYS 28 3HZ LYS 28 16.607 1.308 4.876 345 2HZ LYS 28 1HZ LYS 28 16.058 2.785 5.357 346 3HZ LYS 28 2HZ LYS 28 16.769 1.779 6.443 347 QB LYS 28 QB LYS 28 11.853 1.926 6.573 348 QG LYS 28 QG LYS 28 12.301 0.120 5.023 349 QD LYS 28 QD LYS 28 14.032 1.413 4.150 350 QE LYS 28 QE LYS 28 14.706 1.004 6.536 351 QZ LYS 28 QZ LYS 28 16.478 1.958 5.559 352 H GLN 29 HN GLN 29 8.030 2.964 4.628 353 HA GLN 29 HA GLN 29 7.086 3.055 7.332 354 1HB GLN 29 2HB GLN 29 8.335 5.477 6.354 355 2HB GLN 29 3HB GLN 29 6.603 5.784 6.463 356 1HG GLN 29 2HG GLN 29 6.552 5.225 8.801 357 2HG GLN 29 3HG GLN 29 8.160 4.489 8.739 358 1HE2 GLN 29 2HE2 GLN 29 8.263 8.581 8.386 359 2HE2 GLN 29 1HE2 GLN 29 7.125 7.684 7.395 360 QB GLN 29 QB GLN 29 7.469 5.630 6.409 361 QG GLN 29 QG GLN 29 7.356 4.857 8.770 362 QE2 GLN 29 QE2 GLN 29 7.694 8.133 7.890 363 H CYS 30 HN CYS 30 4.845 3.606 7.554 364 HA CYS 30 HA CYS 30 3.248 2.719 5.268 365 1HB CYS 30 2HB CYS 30 2.521 3.493 8.103 366 2HB CYS 30 3HB CYS 30 1.352 2.942 6.912 367 QB CYS 30 QB CYS 30 1.936 3.218 7.507 368 H LEU 31 HN LEU 31 1.946 4.019 4.016 369 HA LEU 31 HA LEU 31 1.672 6.893 4.689 370 1HB LEU 31 2HB LEU 31 2.662 5.734 2.047 371 2HB LEU 31 3HB LEU 31 2.377 7.443 2.361 372 HG LEU 31 HG LEU 31 4.549 5.724 3.652 373 1HD1 LEU 31 3HD1 LEU 31 4.855 6.172 1.232 374 2HD1 LEU 31 1HD1 LEU 31 4.705 7.913 1.537 375 3HD1 LEU 31 2HD1 LEU 31 6.068 7.005 2.221 376 1HD2 LEU 31 2HD2 LEU 31 4.050 8.739 3.810 377 2HD2 LEU 31 3HD2 LEU 31 3.896 7.602 5.161 378 3HD2 LEU 31 1HD2 LEU 31 5.479 7.882 4.431 379 QB LEU 31 QB LEU 31 2.519 6.588 2.204 380 QD1 LEU 31 QD1 LEU 31 5.209 7.030 1.663 381 QD2 LEU 31 QD2 LEU 31 4.475 8.074 4.467 382 QQD LEU 31 QQD LEU 31 4.842 7.552 3.065 383 HA PRO 32 HA PRO 32 -2.375 6.100 2.755 384 1HB PRO 32 2HB PRO 32 -3.184 8.653 2.251 385 2HB PRO 32 3HB PRO 32 -3.117 8.007 3.905 386 1HG PRO 32 2HG PRO 32 -1.049 9.704 2.491 387 2HG PRO 32 3HG PRO 32 -1.716 9.931 4.134 388 1HD PRO 32 2HD PRO 32 0.673 8.693 3.669 389 2HD PRO 32 3HD PRO 32 -0.403 8.158 4.994 390 QB PRO 32 QB PRO 32 -3.151 8.330 3.078 391 QG PRO 32 QG PRO 32 -1.382 9.818 3.313 392 QD PRO 32 QD PRO 32 0.135 8.425 4.331 393 H PHE 33 HN PHE 33 -3.299 6.192 0.585 394 HA PHE 33 HA PHE 33 -2.310 7.990 -1.374 395 1HB PHE 33 2HB PHE 33 -1.116 6.655 -2.826 396 2HB PHE 33 3HB PHE 33 -0.450 6.154 -1.299 397 HD1 PHE 33 2HD PHE 33 -1.853 4.023 -0.163 398 HD2 PHE 33 1HD PHE 33 -1.904 5.100 -4.287 399 HE1 PHE 33 2HE PHE 33 -2.126 1.631 -0.780 400 HE2 PHE 33 1HE PHE 33 -2.090 2.689 -4.925 401 HZ PHE 33 HZ PHE 33 -2.164 0.955 -3.164 402 QB PHE 33 QB PHE 33 -0.783 6.404 -2.063 403 QR PHE 33 QR PHE 33 -1.993 3.361 -2.539 404 H ASP 34 HN ASP 34 -3.291 6.983 -3.722 405 HA ASP 34 HA ASP 34 -6.021 5.936 -3.118 406 1HB ASP 34 2HB ASP 34 -4.989 7.999 -5.124 407 2HB ASP 34 3HB ASP 34 -6.380 6.975 -5.498 408 QB ASP 34 QB ASP 34 -5.684 7.487 -5.311 409 OH TYR 35 OH TYR 35 -5.192 -3.410 -7.076 410 H TYR 35 HN TYR 35 -6.016 3.896 -3.610 411 HA TYR 35 HA TYR 35 -4.228 2.691 -5.598 412 1HB TYR 35 2HB TYR 35 -4.846 1.527 -3.484 413 2HB TYR 35 3HB TYR 35 -6.551 1.649 -3.918 414 HD1 TYR 35 HD1 TYR 35 -3.424 0.538 -5.721 415 HD2 TYR 35 HD2 TYR 35 -7.412 -0.481 -4.430 416 HE1 TYR 35 HE1 TYR 35 -3.321 -1.538 -7.044 417 HE2 TYR 35 HE2 TYR 35 -7.146 -2.725 -5.487 418 HH TYR 35 HH TYR 35 -4.650 -3.274 -7.863 419 QB TYR 35 QB TYR 35 -5.699 1.588 -3.701 420 QR TYR 35 QR TYR 35 -5.326 -1.052 -5.670 421 H SER 36 HN SER 36 -5.059 1.596 -7.537 422 HA SER 36 HA SER 36 -7.403 2.905 -8.694 423 1HB SER 36 2HB SER 36 -7.029 1.572 -10.586 424 2HB SER 36 3HB SER 36 -5.464 2.231 -10.075 425 HG SER 36 HG SER 36 -4.863 0.229 -9.387 426 QB SER 36 QB SER 36 -6.246 1.902 -10.330 427 H GLY 37 HN GLY 37 -6.689 -0.518 -8.344 428 1HA GLY 37 1HA GLY 37 -8.797 -1.629 -6.880 429 2HA GLY 37 2HA GLY 37 -9.498 -1.180 -8.439 430 QA GLY 37 QA GLY 37 -9.148 -1.404 -7.660 431 H CYS 38 HN CYS 38 -6.887 -1.569 -9.880 432 HA CYS 38 HA CYS 38 -7.145 -4.537 -10.224 433 1HB CYS 38 2HB CYS 38 -6.246 -2.419 -12.181 434 2HB CYS 38 3HB CYS 38 -6.587 -4.095 -12.569 435 QB CYS 38 QB CYS 38 -6.416 -3.257 -12.375 436 H GLY 39 HN GLY 39 -5.122 -5.550 -11.045 437 1HA GLY 39 1HA GLY 39 -2.921 -6.153 -10.622 438 2HA GLY 39 2HA GLY 39 -2.701 -4.675 -11.561 439 QA GLY 39 QA GLY 39 -2.811 -5.414 -11.091 440 H GLY 40 HN GLY 40 -3.579 -5.323 -8.121 441 1HA GLY 40 1HA GLY 40 -1.645 -3.270 -7.221 442 2HA GLY 40 2HA GLY 40 -2.848 -4.054 -6.236 443 QA GLY 40 QA GLY 40 -2.246 -3.662 -6.728 444 H ASN 41 HN ASN 41 -1.422 -4.663 -4.604 445 HA ASN 41 HA ASN 41 -0.088 -7.200 -5.039 446 1HB ASN 41 2HB ASN 41 1.999 -6.411 -3.995 447 2HB ASN 41 3HB ASN 41 1.707 -5.599 -5.527 448 1HD2 ASN 41 2HD2 ASN 41 2.544 -2.619 -3.774 449 2HD2 ASN 41 1HD2 ASN 41 3.069 -3.844 -4.905 450 QB ASN 41 QB ASN 41 1.853 -6.005 -4.761 451 QD2 ASN 41 QD2 ASN 41 2.806 -3.231 -4.339 452 H ALA 42 HN ALA 42 0.968 -7.565 -2.582 453 HA ALA 42 HA ALA 42 -1.368 -7.610 -0.824 454 1HB ALA 42 2HB ALA 42 1.507 -8.513 -0.444 455 2HB ALA 42 3HB ALA 42 0.193 -8.809 0.706 456 3HB ALA 42 1HB ALA 42 0.137 -9.528 -0.915 457 QB ALA 42 QB ALA 42 0.613 -8.950 -0.218 458 H ASN 43 HN ASN 43 1.085 -5.268 -1.409 459 HA ASN 43 HA ASN 43 1.353 -4.358 1.377 460 1HB ASN 43 2HB ASN 43 3.255 -4.397 -0.376 461 2HB ASN 43 3HB ASN 43 2.437 -3.025 -1.138 462 1HD2 ASN 43 2HD2 ASN 43 4.914 -1.430 0.949 463 2HD2 ASN 43 1HD2 ASN 43 4.915 -2.436 -0.452 464 QB ASN 43 QB ASN 43 2.846 -3.711 -0.757 465 QD2 ASN 43 QD2 ASN 43 4.914 -1.933 0.248 466 NH1 ARG 44 NH2 ARG 44 -6.852 -2.879 -1.758 467 NH2 ARG 44 NH1 ARG 44 -6.159 -4.778 -2.898 468 H ARG 44 HN ARG 44 -1.193 -4.222 1.159 469 HA ARG 44 HA ARG 44 -1.891 -1.387 0.667 470 1HB ARG 44 2HB ARG 44 -2.061 -2.528 -1.561 471 2HB ARG 44 3HB ARG 44 -3.299 -3.584 -0.855 472 1HG ARG 44 2HG ARG 44 -4.688 -1.579 -0.322 473 2HG ARG 44 3HG ARG 44 -3.400 -0.515 -0.875 474 1HD ARG 44 2HD ARG 44 -5.234 -0.827 -2.536 475 2HD ARG 44 3HD ARG 44 -3.620 -1.207 -3.135 476 HE ARG 44 HE ARG 44 -4.135 -3.392 -3.424 477 1HH1 ARG 44 2HH2 ARG 44 -6.664 -1.930 -1.464 478 2HH1 ARG 44 1HH2 ARG 44 -7.710 -3.318 -1.465 479 1HH2 ARG 44 2HH1 ARG 44 -5.463 -5.269 -3.441 480 2HH2 ARG 44 1HH1 ARG 44 -6.999 -5.273 -2.640 481 QB ARG 44 QB ARG 44 -2.680 -3.056 -1.208 482 QG ARG 44 QG ARG 44 -4.044 -1.047 -0.599 483 QD ARG 44 QD ARG 44 -4.427 -1.017 -2.836 484 QH1 ARG 44 QH2 ARG 44 -7.187 -2.624 -1.465 485 QH2 ARG 44 QH1 ARG 44 -6.231 -5.271 -3.041 486 H PHE 45 HN PHE 45 -3.140 -0.816 2.265 487 HA PHE 45 HA PHE 45 -4.658 -2.762 3.975 488 1HB PHE 45 2HB PHE 45 -2.834 -0.479 4.782 489 2HB PHE 45 3HB PHE 45 -3.684 -1.581 5.847 490 HD1 PHE 45 2HD PHE 45 -3.079 -4.063 5.809 491 HD2 PHE 45 1HD PHE 45 -0.751 -1.194 3.641 492 HE1 PHE 45 2HE PHE 45 -1.075 -5.468 6.150 493 HE2 PHE 45 1HE PHE 45 1.239 -2.676 3.812 494 HZ PHE 45 HZ PHE 45 1.113 -4.766 5.148 495 QB PHE 45 QB PHE 45 -3.259 -1.030 5.314 496 QR PHE 45 QR PHE 45 -0.917 -3.350 4.853 497 H LYS 46 HN LYS 46 -6.434 -1.836 5.016 498 HA LYS 46 HA LYS 46 -7.632 0.448 3.513 499 1HB LYS 46 2HB LYS 46 -8.785 -1.461 5.578 500 2HB LYS 46 3HB LYS 46 -9.628 -0.058 4.887 501 1HG LYS 46 2HG LYS 46 -9.354 -0.985 2.601 502 2HG LYS 46 3HG LYS 46 -8.459 -2.358 3.263 503 1HD LYS 46 2HD LYS 46 -10.678 -3.092 2.795 504 2HD LYS 46 3HD LYS 46 -10.451 -3.060 4.553 505 1HE LYS 46 2HE LYS 46 -11.699 -0.890 4.665 506 2HE LYS 46 3HE LYS 46 -11.868 -0.892 2.901 507 1HZ LYS 46 2HZ LYS 46 -13.181 -2.898 3.110 508 2HZ LYS 46 3HZ LYS 46 -13.005 -2.887 4.748 509 3HZ LYS 46 1HZ LYS 46 -13.833 -1.681 4.003 510 QB LYS 46 QB LYS 46 -9.207 -0.759 5.232 511 QG LYS 46 QG LYS 46 -8.907 -1.671 2.932 512 QD LYS 46 QD LYS 46 -10.564 -3.076 3.674 513 QE LYS 46 QE LYS 46 -11.784 -0.891 3.783 514 QZ LYS 46 QZ LYS 46 -13.340 -2.489 3.954 515 H THR 47 HN THR 47 -5.857 -0.292 6.430 516 HA THR 47 HA THR 47 -6.255 2.579 7.244 517 HB THR 47 HB THR 47 -6.419 2.049 9.556 518 HG1 THR 47 1HG THR 47 -6.337 -0.649 8.731 519 1HG2 THR 47 2HG2 THR 47 -8.566 2.029 8.277 520 2HG2 THR 47 3HG2 THR 47 -8.409 0.271 8.063 521 3HG2 THR 47 1HG2 THR 47 -8.589 0.951 9.686 522 QG2 THR 47 QG2 THR 47 -8.521 1.084 8.676 523 H ILE 48 HN ILE 48 -4.583 3.599 8.200 524 HA ILE 48 HA ILE 48 -1.945 2.722 7.626 525 HB ILE 48 HB ILE 48 -2.959 5.096 8.187 526 1HG1 ILE 48 2HG1 ILE 48 -0.632 4.570 7.428 527 2HG1 ILE 48 3HG1 ILE 48 -0.987 6.107 8.222 528 1HG2 ILE 48 2HG2 ILE 48 -3.716 4.629 10.429 529 2HG2 ILE 48 3HG2 ILE 48 -2.046 4.364 10.967 530 3HG2 ILE 48 1HG2 ILE 48 -2.546 5.961 10.385 531 1HD1 ILE 48 2HD1 ILE 48 0.232 3.704 9.589 532 2HD1 ILE 48 3HD1 ILE 48 1.091 5.153 9.000 533 3HD1 ILE 48 1HD1 ILE 48 -0.085 5.307 10.319 534 QG1 ILE 48 QG1 ILE 48 -0.810 5.338 7.825 535 QG2 ILE 48 QG2 ILE 48 -2.769 4.985 10.594 536 QD1 ILE 48 QD1 ILE 48 0.413 4.721 9.636 537 H GLU 49 HN GLU 49 -3.999 2.290 10.497 538 HA GLU 49 HA GLU 49 -1.801 1.340 12.113 539 1HB GLU 49 2HB GLU 49 -4.808 1.108 12.463 540 2HB GLU 49 3HB GLU 49 -3.610 0.596 13.664 541 1HG GLU 49 2HG GLU 49 -3.861 3.449 12.584 542 2HG GLU 49 3HG GLU 49 -4.468 2.864 14.136 543 QB GLU 49 QB GLU 49 -4.209 0.852 13.063 544 QG GLU 49 QG GLU 49 -4.164 3.156 13.360 545 H GLU 50 HN GLU 50 -4.193 -0.292 10.026 546 HA GLU 50 HA GLU 50 -3.394 -2.969 10.597 547 1HB GLU 50 2HB GLU 50 -5.396 -2.232 9.371 548 2HB GLU 50 3HB GLU 50 -4.356 -1.629 8.061 549 1HG GLU 50 2HG GLU 50 -3.747 -4.179 7.832 550 2HG GLU 50 3HG GLU 50 -5.147 -4.432 8.866 551 QB GLU 50 QB GLU 50 -4.876 -1.930 8.716 552 QG GLU 50 QG GLU 50 -4.447 -4.305 8.349 553 H CYS 51 HN CYS 51 -2.168 -0.626 8.117 554 HA CYS 51 HA CYS 51 -0.042 -2.277 7.193 555 1HB CYS 51 2HB CYS 51 -0.637 -0.208 5.986 556 2HB CYS 51 3HB CYS 51 -0.105 0.786 7.338 557 QB CYS 51 QB CYS 51 -0.371 0.289 6.662 558 NH1 ARG 52 NH2 ARG 52 2.557 3.907 15.040 559 NH2 ARG 52 NH1 ARG 52 0.613 4.957 14.360 560 H ARG 52 HN ARG 52 0.006 0.235 9.681 561 HA ARG 52 HA ARG 52 2.630 0.102 10.494 562 1HB ARG 52 2HB ARG 52 0.718 1.644 11.363 563 2HB ARG 52 3HB ARG 52 0.258 0.313 12.416 564 1HG ARG 52 2HG ARG 52 1.631 1.303 13.902 565 2HG ARG 52 3HG ARG 52 2.898 0.448 13.055 566 1HD ARG 52 2HD ARG 52 3.701 2.686 13.003 567 2HD ARG 52 3HD ARG 52 2.912 2.551 11.448 568 HE ARG 52 HE ARG 52 1.102 3.878 12.164 569 1HH1 ARG 52 2HH2 ARG 52 3.240 3.184 14.869 570 2HH1 ARG 52 1HH2 ARG 52 2.484 4.306 15.963 571 1HH2 ARG 52 2HH1 ARG 52 -0.273 4.699 13.906 572 2HH2 ARG 52 1HH1 ARG 52 0.541 5.502 15.202 573 QB ARG 52 QB ARG 52 0.488 0.979 11.890 574 QG ARG 52 QG ARG 52 2.264 0.876 13.478 575 QD ARG 52 QD ARG 52 3.307 2.619 12.225 576 QH1 ARG 52 QH2 ARG 52 2.862 3.745 15.416 577 QH2 ARG 52 QH1 ARG 52 0.134 5.101 14.554 578 NH1 ARG 53 NH2 ARG 53 -2.290 -2.790 17.798 579 NH2 ARG 53 NH1 ARG 53 -0.306 -1.624 18.122 580 H ARG 53 HN ARG 53 -0.096 -1.865 11.748 581 HA ARG 53 HA ARG 53 1.695 -3.185 13.602 582 1HB ARG 53 2HB ARG 53 -0.640 -2.702 14.062 583 2HB ARG 53 3HB ARG 53 -1.170 -3.865 12.839 584 1HG ARG 53 2HG ARG 53 -0.616 -5.698 14.138 585 2HG ARG 53 3HG ARG 53 0.789 -4.913 14.881 586 1HD ARG 53 2HD ARG 53 -2.062 -4.155 15.502 587 2HD ARG 53 3HD ARG 53 -1.102 -5.297 16.477 588 HE ARG 53 HE ARG 53 0.578 -3.096 16.315 589 1HH1 ARG 53 2HH2 ARG 53 -2.797 -3.511 17.306 590 2HH1 ARG 53 1HH2 ARG 53 -2.783 -2.235 18.481 591 1HH2 ARG 53 2HH1 ARG 53 0.659 -1.479 17.843 592 2HH2 ARG 53 1HH1 ARG 53 -0.717 -1.044 18.836 593 QB ARG 53 QB ARG 53 -0.905 -3.284 13.451 594 QG ARG 53 QG ARG 53 0.086 -5.306 14.509 595 QD ARG 53 QD ARG 53 -1.582 -4.726 15.989 596 QH1 ARG 53 QH2 ARG 53 -2.790 -2.873 17.894 597 QH2 ARG 53 QH1 ARG 53 -0.029 -1.261 18.339 598 H THR 54 HN THR 54 0.702 -3.830 10.312 599 HA THR 54 HA THR 54 1.558 -6.602 10.319 600 HB THR 54 HB THR 54 1.165 -4.627 8.034 601 HG1 THR 54 1HG THR 54 -0.728 -4.992 9.162 602 1HG2 THR 54 3HG2 THR 54 1.443 -7.665 8.101 603 2HG2 THR 54 1HG2 THR 54 0.881 -6.731 6.705 604 3HG2 THR 54 2HG2 THR 54 2.535 -6.513 7.293 605 QG2 THR 54 QG2 THR 54 1.620 -6.970 7.366 606 H CYS 55 HN CYS 55 3.133 -3.469 9.393 607 HA CYS 55 HA CYS 55 5.576 -5.068 8.660 608 1HB CYS 55 2HB CYS 55 4.381 -3.781 6.969 609 2HB CYS 55 3HB CYS 55 4.878 -2.283 7.746 610 QB CYS 55 QB CYS 55 4.629 -3.032 7.357 611 H VAL 56 HN VAL 56 4.582 -2.348 10.565 612 HA VAL 56 HA VAL 56 7.151 -2.183 12.062 613 HB VAL 56 HB VAL 56 4.757 -0.321 12.286 614 1HG1 VAL 56 3HG1 VAL 56 7.651 -0.140 13.177 615 2HG1 VAL 56 1HG1 VAL 56 6.686 1.315 12.911 616 3HG1 VAL 56 2HG1 VAL 56 6.172 0.178 14.124 617 1HG2 VAL 56 1HG2 VAL 56 7.136 0.046 10.444 618 2HG2 VAL 56 2HG2 VAL 56 5.434 -0.138 9.949 619 3HG2 VAL 56 3HG2 VAL 56 5.934 1.291 10.831 620 QG1 VAL 56 QG1 VAL 56 6.836 0.451 13.404 621 QG2 VAL 56 QG2 VAL 56 6.168 0.400 10.408 622 QQG VAL 56 QQG VAL 56 6.502 0.425 11.906 623 H GLY 57 HN GLY 57 5.835 -1.552 14.539 624 1HA GLY 57 1HA GLY 57 4.213 -3.980 15.201 625 2HA GLY 57 2HA GLY 57 5.096 -2.966 16.348 626 QA GLY 57 QA GLY 57 4.655 -3.473 15.774 Start of MODEL 6 Raw file had 626 H/Q atoms Start of MODEL 6 1 H ALA 1 HN ALA 1 8.584 -7.230 11.004 2 HA ALA 1 HA ALA 1 7.012 -6.344 9.297 3 1HB ALA 1 2HB ALA 1 9.338 -5.479 9.380 4 2HB ALA 1 3HB ALA 1 9.878 -6.830 8.356 5 3HB ALA 1 1HB ALA 1 8.771 -5.609 7.706 6 QB ALA 1 QB ALA 1 9.329 -5.972 8.481 7 H ALA 2 HN ALA 2 6.142 -6.677 7.081 8 HA ALA 2 HA ALA 2 5.959 -9.540 6.459 9 1HB ALA 2 2HB ALA 2 4.510 -7.107 5.366 10 2HB ALA 2 3HB ALA 2 4.337 -8.736 4.707 11 3HB ALA 2 1HB ALA 2 3.909 -8.406 6.392 12 QB ALA 2 QB ALA 2 4.252 -8.083 5.489 13 H LYS 3 HN LYS 3 6.138 -10.336 4.243 14 HA LYS 3 HA LYS 3 8.723 -9.669 3.119 15 1HB LYS 3 2HB LYS 3 7.430 -11.940 3.322 16 2HB LYS 3 3HB LYS 3 6.743 -11.523 1.763 17 1HG LYS 3 2HG LYS 3 9.755 -11.470 2.296 18 2HG LYS 3 3HG LYS 3 8.921 -12.967 1.954 19 1HD LYS 3 2HD LYS 3 8.320 -10.814 -0.020 20 2HD LYS 3 3HD LYS 3 10.026 -11.281 0.061 21 1HE LYS 3 2HE LYS 3 9.444 -13.664 -0.237 22 2HE LYS 3 3HE LYS 3 7.719 -13.259 -0.286 23 1HZ LYS 3 2HZ LYS 3 9.749 -12.367 -2.239 24 2HZ LYS 3 3HZ LYS 3 8.669 -13.582 -2.461 25 3HZ LYS 3 1HZ LYS 3 8.134 -12.037 -2.309 26 QB LYS 3 QB LYS 3 7.086 -11.732 2.542 27 QG LYS 3 QG LYS 3 9.338 -12.218 2.125 28 QD LYS 3 QD LYS 3 9.173 -11.047 0.021 29 QE LYS 3 QE LYS 3 8.581 -13.461 -0.262 30 QZ LYS 3 QZ LYS 3 8.851 -12.662 -2.336 31 OH TYR 4 OH TYR 4 0.810 -8.794 5.216 32 H TYR 4 HN TYR 4 5.375 -9.664 1.933 33 HA TYR 4 HA TYR 4 5.763 -8.164 -0.430 34 1HB TYR 4 2HB TYR 4 3.324 -7.708 -0.245 35 2HB TYR 4 3HB TYR 4 3.780 -9.407 -0.101 36 HD1 TYR 4 HD2 TYR 4 2.732 -6.389 1.867 37 HD2 TYR 4 HD1 TYR 4 3.097 -10.691 1.785 38 HE1 TYR 4 HE2 TYR 4 1.422 -6.545 3.945 39 HE2 TYR 4 HE1 TYR 4 1.780 -10.832 3.878 40 HH TYR 4 HH TYR 4 0.384 -7.974 5.473 41 QB TYR 4 QB TYR 4 3.552 -8.557 -0.173 42 QR TYR 4 QR TYR 4 2.258 -8.614 2.869 43 H CYS 5 HN CYS 5 5.793 -7.066 2.843 44 HA CYS 5 HA CYS 5 5.111 -4.352 2.599 45 1HB CYS 5 2HB CYS 5 5.818 -5.601 4.693 46 2HB CYS 5 3HB CYS 5 7.505 -5.343 4.202 47 QB CYS 5 QB CYS 5 6.662 -5.472 4.447 48 H LYS 6 HN LYS 6 7.899 -6.067 1.348 49 HA LYS 6 HA LYS 6 9.584 -3.810 0.761 50 1HB LYS 6 2HB LYS 6 9.498 -6.683 -0.140 51 2HB LYS 6 3HB LYS 6 10.440 -5.507 -1.040 52 1HG LYS 6 2HG LYS 6 11.917 -6.530 0.523 53 2HG LYS 6 3HG LYS 6 11.692 -4.829 0.895 54 1HD LYS 6 2HD LYS 6 11.618 -5.662 2.997 55 2HD LYS 6 3HD LYS 6 9.893 -5.743 2.646 56 1HE LYS 6 2HE LYS 6 10.316 -8.197 1.965 57 2HE LYS 6 3HE LYS 6 11.972 -7.987 2.540 58 1HZ LYS 6 3HZ LYS 6 11.067 -7.419 4.717 59 2HZ LYS 6 1HZ LYS 6 9.531 -7.699 4.192 60 3HZ LYS 6 2HZ LYS 6 10.619 -8.924 4.255 61 QB LYS 6 QB LYS 6 9.969 -6.095 -0.590 62 QG LYS 6 QG LYS 6 11.805 -5.679 0.709 63 QD LYS 6 QD LYS 6 10.756 -5.703 2.821 64 QE LYS 6 QE LYS 6 11.144 -8.092 2.252 65 QZ LYS 6 QZ LYS 6 10.406 -8.014 4.388 66 H LEU 7 HN LEU 7 6.636 -4.943 -0.828 67 HA LEU 7 HA LEU 7 7.397 -4.249 -3.456 68 1HB LEU 7 2HB LEU 7 4.677 -4.524 -2.170 69 2HB LEU 7 3HB LEU 7 4.943 -4.357 -3.901 70 HG LEU 7 HG LEU 7 6.369 -6.586 -2.435 71 1HD1 LEU 7 2HD1 LEU 7 3.682 -6.521 -2.125 72 2HD1 LEU 7 3HD1 LEU 7 3.792 -7.220 -3.757 73 3HD1 LEU 7 1HD1 LEU 7 4.594 -8.024 -2.431 74 1HD2 LEU 7 3HD2 LEU 7 5.222 -6.233 -5.253 75 2HD2 LEU 7 1HD2 LEU 7 6.950 -6.178 -4.807 76 3HD2 LEU 7 2HD2 LEU 7 6.026 -7.699 -4.657 77 QB LEU 7 QB LEU 7 4.810 -4.440 -3.036 78 QD1 LEU 7 QD1 LEU 7 4.023 -7.255 -2.771 79 QD2 LEU 7 QD2 LEU 7 6.066 -6.703 -4.906 80 QQD LEU 7 QQD LEU 7 5.044 -6.979 -3.838 81 HA PRO 8 HA PRO 8 7.012 0.177 -3.123 82 1HB PRO 8 2HB PRO 8 7.326 0.925 -5.732 83 2HB PRO 8 3HB PRO 8 8.594 0.048 -4.837 84 1HG PRO 8 2HG PRO 8 6.471 -1.159 -6.646 85 2HG PRO 8 3HG PRO 8 8.249 -1.350 -6.775 86 1HD PRO 8 2HD PRO 8 6.732 -3.192 -5.447 87 2HD PRO 8 3HD PRO 8 8.337 -2.686 -4.824 88 QB PRO 8 QB PRO 8 7.960 0.487 -5.284 89 QG PRO 8 QG PRO 8 7.360 -1.255 -6.711 90 QD PRO 8 QD PRO 8 7.534 -2.939 -5.136 91 H LEU 9 HN LEU 9 5.901 2.037 -4.658 92 HA LEU 9 HA LEU 9 3.177 1.870 -3.878 93 1HB LEU 9 2HB LEU 9 4.418 3.972 -3.835 94 2HB LEU 9 3HB LEU 9 4.577 3.962 -5.590 95 HG LEU 9 HG LEU 9 2.221 4.246 -5.911 96 1HD1 LEU 9 1HD1 LEU 9 1.958 3.560 -2.981 97 2HD1 LEU 9 2HD1 LEU 9 0.740 4.549 -3.739 98 3HD1 LEU 9 3HD1 LEU 9 1.065 2.917 -4.350 99 1HD2 LEU 9 3HD2 LEU 9 3.562 6.270 -5.273 100 2HD2 LEU 9 1HD2 LEU 9 1.837 6.406 -4.866 101 3HD2 LEU 9 2HD2 LEU 9 3.022 6.053 -3.585 102 QB LEU 9 QB LEU 9 4.498 3.967 -4.712 103 QD1 LEU 9 QD1 LEU 9 1.254 3.675 -3.690 104 QD2 LEU 9 QD2 LEU 9 2.807 6.243 -4.574 105 QQD LEU 9 QQD LEU 9 2.031 4.959 -4.132 106 NH1 ARG 10 NH2 ARG 10 1.100 -2.045 -11.260 107 NH2 ARG 10 NH1 ARG 10 1.767 -4.062 -12.179 108 H ARG 10 HN ARG 10 2.505 0.053 -4.949 109 HA ARG 10 HA ARG 10 2.289 0.101 -7.854 110 1HB ARG 10 2HB ARG 10 3.095 -1.793 -6.364 111 2HB ARG 10 3HB ARG 10 1.455 -1.922 -5.758 112 1HG ARG 10 2HG ARG 10 1.716 -3.656 -7.387 113 2HG ARG 10 3HG ARG 10 0.691 -2.423 -8.125 114 1HD ARG 10 2HD ARG 10 2.767 -1.534 -9.324 115 2HD ARG 10 3HD ARG 10 3.694 -2.800 -8.543 116 HE ARG 10 HE ARG 10 2.785 -4.431 -9.903 117 1HH1 ARG 10 2HH2 ARG 10 0.868 -1.567 -10.402 118 2HH1 ARG 10 1HH2 ARG 10 0.656 -1.760 -12.117 119 1HH2 ARG 10 2HH1 ARG 10 2.266 -4.937 -12.110 120 2HH2 ARG 10 1HH1 ARG 10 1.295 -3.849 -13.045 121 QB ARG 10 QB ARG 10 2.275 -1.857 -6.061 122 QG ARG 10 QG ARG 10 1.204 -3.040 -7.756 123 QD ARG 10 QD ARG 10 3.230 -2.167 -8.934 124 QH1 ARG 10 QH2 ARG 10 0.762 -1.664 -11.260 125 QH2 ARG 10 QH1 ARG 10 1.781 -4.393 -12.578 126 H ILE 11 HN ILE 11 0.770 1.814 -8.080 127 HA ILE 11 HA ILE 11 -1.880 1.711 -6.931 128 HB ILE 11 HB ILE 11 -0.795 3.302 -9.296 129 1HG1 ILE 11 2HG1 ILE 11 0.525 3.752 -7.281 130 2HG1 ILE 11 3HG1 ILE 11 -0.515 5.126 -7.646 131 1HG2 ILE 11 1HG2 ILE 11 -3.377 3.536 -7.698 132 2HG2 ILE 11 2HG2 ILE 11 -2.685 4.899 -8.598 133 3HG2 ILE 11 3HG2 ILE 11 -3.164 3.426 -9.450 134 1HD1 ILE 11 1HD1 ILE 11 -2.172 4.381 -6.059 135 2HD1 ILE 11 2HD1 ILE 11 -1.003 3.158 -5.468 136 3HD1 ILE 11 3HD1 ILE 11 -0.637 4.902 -5.373 137 QG1 ILE 11 QG1 ILE 11 0.005 4.439 -7.464 138 QG2 ILE 11 QG2 ILE 11 -3.075 3.954 -8.582 139 QD1 ILE 11 QD1 ILE 11 -1.271 4.147 -5.633 140 H GLY 12 HN GLY 12 -0.532 0.868 -10.090 141 1HA GLY 12 1HA GLY 12 -1.403 -1.028 -11.354 142 2HA GLY 12 2HA GLY 12 -3.027 -0.657 -10.768 143 QA GLY 12 QA GLY 12 -2.215 -0.842 -11.061 144 HA PRO 13 HA PRO 13 -2.248 1.903 -14.611 145 1HB PRO 13 2HB PRO 13 -3.054 0.372 -16.683 146 2HB PRO 13 3HB PRO 13 -1.429 0.194 -15.973 147 1HG PRO 13 2HG PRO 13 -3.885 -1.471 -15.357 148 2HG PRO 13 3HG PRO 13 -2.257 -2.055 -15.814 149 1HD PRO 13 2HD PRO 13 -3.062 -1.850 -13.189 150 2HD PRO 13 3HD PRO 13 -1.373 -1.528 -13.693 151 QB PRO 13 QB PRO 13 -2.242 0.283 -16.328 152 QG PRO 13 QG PRO 13 -3.071 -1.763 -15.586 153 QD PRO 13 QD PRO 13 -2.218 -1.689 -13.441 154 H CYS 14 HN CYS 14 -4.897 0.583 -12.716 155 HA CYS 14 HA CYS 14 -6.878 1.401 -14.753 156 1HB CYS 14 2HB CYS 14 -6.828 -0.139 -12.254 157 2HB CYS 14 3HB CYS 14 -8.279 0.748 -12.567 158 QB CYS 14 QB CYS 14 -7.553 0.304 -12.411 159 H LYS 15 HN LYS 15 -8.650 2.771 -14.041 160 HA LYS 15 HA LYS 15 -7.261 5.268 -13.145 161 1HB LYS 15 2HB LYS 15 -8.382 6.441 -14.834 162 2HB LYS 15 3HB LYS 15 -7.591 5.037 -15.547 163 1HG LYS 15 2HG LYS 15 -9.828 3.873 -15.624 164 2HG LYS 15 3HG LYS 15 -10.560 5.325 -14.943 165 1HD LYS 15 2HD LYS 15 -10.971 5.835 -17.113 166 2HD LYS 15 3HD LYS 15 -9.397 6.585 -16.940 167 1HE LYS 15 2HE LYS 15 -9.441 5.403 -19.030 168 2HE LYS 15 3HE LYS 15 -8.328 4.546 -17.959 169 1HZ LYS 15 3HZ LYS 15 -11.131 3.784 -18.516 170 2HZ LYS 15 1HZ LYS 15 -9.797 3.065 -19.159 171 3HZ LYS 15 2HZ LYS 15 -10.092 2.948 -17.548 172 QB LYS 15 QB LYS 15 -7.986 5.739 -15.191 173 QG LYS 15 QG LYS 15 -10.194 4.599 -15.284 174 QD LYS 15 QD LYS 15 -10.184 6.210 -17.027 175 QE LYS 15 QE LYS 15 -8.885 4.975 -18.494 176 QZ LYS 15 QZ LYS 15 -10.340 3.266 -18.408 177 NH1 ARG 16 NH2 ARG 16 -14.303 1.004 -11.564 178 NH2 ARG 16 NH1 ARG 16 -14.633 -0.786 -10.126 179 H ARG 16 HN ARG 16 -8.317 3.822 -11.292 180 HA ARG 16 HA ARG 16 -10.995 4.818 -10.493 181 1HB ARG 16 2HB ARG 16 -9.326 2.375 -10.122 182 2HB ARG 16 3HB ARG 16 -10.272 2.859 -8.719 183 1HG ARG 16 2HG ARG 16 -11.537 2.526 -11.471 184 2HG ARG 16 3HG ARG 16 -11.106 1.132 -10.473 185 1HD ARG 16 2HD ARG 16 -12.422 2.649 -8.598 186 2HD ARG 16 3HD ARG 16 -13.331 3.087 -10.034 187 HE ARG 16 HE ARG 16 -13.180 0.555 -8.574 188 1HH1 ARG 16 2HH2 ARG 16 -13.864 1.893 -11.744 189 2HH1 ARG 16 1HH2 ARG 16 -14.877 0.585 -12.281 190 1HH2 ARG 16 2HH1 ARG 16 -14.467 -1.243 -9.240 191 2HH2 ARG 16 1HH1 ARG 16 -15.201 -1.266 -10.808 192 QB ARG 16 QB ARG 16 -9.799 2.617 -9.420 193 QG ARG 16 QG ARG 16 -11.322 1.829 -10.972 194 QD ARG 16 QD ARG 16 -12.877 2.868 -9.316 195 QH1 ARG 16 QH2 ARG 16 -14.370 1.239 -12.013 196 QH2 ARG 16 QH1 ARG 16 -14.834 -1.255 -10.024 197 H LYS 17 HN LYS 17 -10.961 4.855 -7.915 198 HA LYS 17 HA LYS 17 -8.606 6.189 -6.785 199 1HB LYS 17 2HB LYS 17 -10.124 8.169 -6.200 200 2HB LYS 17 3HB LYS 17 -9.460 8.102 -7.834 201 1HG LYS 17 2HG LYS 17 -11.570 7.385 -8.762 202 2HG LYS 17 3HG LYS 17 -12.232 7.110 -7.139 203 1HD LYS 17 2HD LYS 17 -11.393 9.793 -7.064 204 2HD LYS 17 3HD LYS 17 -12.023 9.631 -8.697 205 1HE LYS 17 2HE LYS 17 -13.444 8.934 -6.070 206 2HE LYS 17 3HE LYS 17 -13.756 10.367 -7.056 207 1HZ LYS 17 1HZ LYS 17 -14.195 7.596 -7.954 208 2HZ LYS 17 2HZ LYS 17 -15.369 8.601 -7.395 209 3HZ LYS 17 3HZ LYS 17 -14.576 8.964 -8.793 210 QB LYS 17 QB LYS 17 -9.792 8.135 -7.017 211 QG LYS 17 QG LYS 17 -11.901 7.248 -7.951 212 QD LYS 17 QD LYS 17 -11.708 9.712 -7.880 213 QE LYS 17 QE LYS 17 -13.600 9.650 -6.563 214 QZ LYS 17 QZ LYS 17 -14.714 8.387 -8.047 215 H ILE 18 HN ILE 18 -8.634 4.399 -5.361 216 HA ILE 18 HA ILE 18 -10.972 4.259 -3.509 217 HB ILE 18 HB ILE 18 -9.129 1.998 -4.316 218 1HG1 ILE 18 2HG1 ILE 18 -11.968 2.659 -5.212 219 2HG1 ILE 18 3HG1 ILE 18 -10.509 2.642 -6.221 220 1HG2 ILE 18 1HG2 ILE 18 -10.130 1.893 -1.993 221 2HG2 ILE 18 2HG2 ILE 18 -11.737 2.002 -2.731 222 3HG2 ILE 18 3HG2 ILE 18 -10.686 0.607 -3.048 223 1HD1 ILE 18 1HD1 ILE 18 -10.232 0.195 -5.705 224 2HD1 ILE 18 2HD1 ILE 18 -11.845 0.232 -4.947 225 3HD1 ILE 18 3HD1 ILE 18 -11.666 0.617 -6.664 226 QG1 ILE 18 QG1 ILE 18 -11.239 2.650 -5.717 227 QG2 ILE 18 QG2 ILE 18 -10.851 1.500 -2.591 228 QD1 ILE 18 QD1 ILE 18 -11.248 0.348 -5.772 229 HA PRO 19 HA PRO 19 -7.577 5.912 -0.990 230 1HB PRO 19 2HB PRO 19 -8.856 6.088 1.447 231 2HB PRO 19 3HB PRO 19 -9.083 7.243 0.099 232 1HG PRO 19 2HG PRO 19 -10.800 4.831 0.762 233 2HG PRO 19 3HG PRO 19 -11.349 6.512 0.484 234 1HD PRO 19 2HD PRO 19 -11.444 4.704 -1.472 235 2HD PRO 19 3HD PRO 19 -10.840 6.347 -1.869 236 QB PRO 19 QB PRO 19 -8.970 6.665 0.773 237 QG PRO 19 QG PRO 19 -11.075 5.672 0.623 238 QD PRO 19 QD PRO 19 -11.142 5.525 -1.671 239 H SER 20 HN SER 20 -5.902 4.679 -0.242 240 HA SER 20 HA SER 20 -6.399 2.407 1.565 241 1HB SER 20 2HB SER 20 -4.551 2.005 -0.811 242 2HB SER 20 3HB SER 20 -5.192 0.801 0.297 243 HG SER 20 HG SER 20 -6.878 2.313 -1.386 244 QB SER 20 QB SER 20 -4.871 1.403 -0.257 245 H PHE 21 HN PHE 21 -4.262 1.561 2.296 246 HA PHE 21 HA PHE 21 -2.082 3.608 2.404 247 1HB PHE 21 2HB PHE 21 -3.141 1.821 4.630 248 2HB PHE 21 3HB PHE 21 -1.618 2.699 4.719 249 HD1 PHE 21 2HD PHE 21 -5.330 3.071 4.554 250 HD2 PHE 21 1HD PHE 21 -1.567 5.084 5.121 251 HE1 PHE 21 2HE PHE 21 -6.523 5.062 5.412 252 HE2 PHE 21 1HE PHE 21 -2.757 7.039 6.088 253 HZ PHE 21 HZ PHE 21 -5.237 7.050 6.186 254 QB PHE 21 QB PHE 21 -2.379 2.260 4.675 255 QR PHE 21 QR PHE 21 -4.044 5.064 5.294 256 OH TYR 22 OH TYR 22 4.571 4.706 -1.469 257 H TYR 22 HN TYR 22 0.060 2.698 2.246 258 HA TYR 22 HA TYR 22 0.353 -0.213 2.173 259 1HB TYR 22 2HB TYR 22 1.512 -0.276 0.210 260 2HB TYR 22 3HB TYR 22 0.094 0.588 -0.276 261 HD1 TYR 22 HD2 TYR 22 0.683 3.381 0.369 262 HD2 TYR 22 HD1 TYR 22 3.411 0.319 -0.976 263 HE1 TYR 22 HE2 TYR 22 2.219 5.106 -0.400 264 HE2 TYR 22 HE1 TYR 22 4.992 2.067 -1.712 265 HH TYR 22 HH TYR 22 4.150 5.524 -1.188 266 QB TYR 22 QB TYR 22 0.803 0.156 -0.033 267 QR TYR 22 QR TYR 22 2.826 2.718 -0.680 268 OH TYR 23 OH TYR 23 9.065 -0.196 7.557 269 H TYR 23 HN TYR 23 2.842 -0.578 2.059 270 HA TYR 23 HA TYR 23 4.185 1.463 3.792 271 1HB TYR 23 2HB TYR 23 3.917 -0.911 4.607 272 2HB TYR 23 3HB TYR 23 4.995 -1.393 3.308 273 HD1 TYR 23 HD1 TYR 23 7.390 -0.734 3.365 274 HD2 TYR 23 HD2 TYR 23 4.708 0.389 6.511 275 HE1 TYR 23 HE1 TYR 23 9.246 -0.801 4.984 276 HE2 TYR 23 HE2 TYR 23 6.614 0.600 8.079 277 HH TYR 23 HH TYR 23 9.851 -0.621 7.215 278 QB TYR 23 QB TYR 23 4.456 -1.152 3.957 279 QR TYR 23 QR TYR 23 6.990 -0.137 5.735 280 H LYS 24 HN LYS 24 5.671 2.758 2.829 281 HA LYS 24 HA LYS 24 6.672 1.974 0.144 282 1HB LYS 24 2HB LYS 24 5.876 4.299 0.724 283 2HB LYS 24 3HB LYS 24 7.310 4.487 1.732 284 1HG LYS 24 2HG LYS 24 8.679 3.797 -0.337 285 2HG LYS 24 3HG LYS 24 7.174 3.854 -1.248 286 1HD LYS 24 2HD LYS 24 7.175 6.352 -0.008 287 2HD LYS 24 3HD LYS 24 8.901 6.044 -0.150 288 1HE LYS 24 2HE LYS 24 8.287 7.200 -2.152 289 2HE LYS 24 3HE LYS 24 8.495 5.507 -2.622 290 1HZ LYS 24 3HZ LYS 24 5.988 5.360 -2.272 291 2HZ LYS 24 1HZ LYS 24 5.998 6.998 -2.215 292 3HZ LYS 24 2HZ LYS 24 6.492 6.235 -3.584 293 QB LYS 24 QB LYS 24 6.593 4.393 1.228 294 QG LYS 24 QG LYS 24 7.927 3.826 -0.792 295 QD LYS 24 QD LYS 24 8.038 6.198 -0.079 296 QE LYS 24 QE LYS 24 8.391 6.354 -2.387 297 QZ LYS 24 QZ LYS 24 6.159 6.198 -2.690 298 CH2 TRP 25 CH2 TRP 25 11.737 -4.152 5.532 299 H TRP 25 HN TRP 25 8.037 0.158 0.691 300 HA TRP 25 HA TRP 25 9.903 0.172 2.779 301 1HB TRP 25 2HB TRP 25 9.225 -1.749 1.375 302 2HB TRP 25 3HB TRP 25 10.339 -1.205 0.115 303 HD1 TRP 25 HD1 TRP 25 12.964 -1.398 0.686 304 HE1 TRP 25 HE1 TRP 25 14.317 -2.656 2.435 305 HE3 TRP 25 HE3 TRP 25 9.131 -2.898 3.713 306 HZ2 TRP 25 HZ2 TRP 25 13.816 -4.032 4.950 307 HZ3 TRP 25 HZ3 TRP 25 9.600 -4.137 5.810 308 HH2 TRP 25 HH2 TRP 25 11.935 -4.677 6.456 309 QB TRP 25 QB TRP 25 9.782 -1.477 0.745 310 H LYS 26 HN LYS 26 10.145 1.773 -0.348 311 HA LYS 26 HA LYS 26 12.893 2.351 -0.386 312 1HB LYS 26 2HB LYS 26 11.090 2.840 -2.144 313 2HB LYS 26 3HB LYS 26 10.732 4.316 -1.224 314 1HG LYS 26 2HG LYS 26 13.136 5.009 -1.498 315 2HG LYS 26 3HG LYS 26 13.425 3.536 -2.424 316 1HD LYS 26 2HD LYS 26 12.827 4.594 -4.294 317 2HD LYS 26 3HD LYS 26 11.179 4.733 -3.679 318 1HE LYS 26 2HE LYS 26 11.802 6.890 -2.555 319 2HE LYS 26 3HE LYS 26 13.447 6.733 -3.180 320 1HZ LYS 26 3HZ LYS 26 11.041 7.005 -4.860 321 2HZ LYS 26 1HZ LYS 26 12.116 8.202 -4.514 322 3HZ LYS 26 2HZ LYS 26 12.594 6.901 -5.399 323 QB LYS 26 QB LYS 26 10.911 3.578 -1.684 324 QG LYS 26 QG LYS 26 13.280 4.272 -1.961 325 QD LYS 26 QD LYS 26 12.003 4.664 -3.987 326 QE LYS 26 QE LYS 26 12.625 6.811 -2.867 327 QZ LYS 26 QZ LYS 26 11.917 7.369 -4.924 328 H ALA 27 HN ALA 27 10.341 3.684 1.661 329 HA ALA 27 HA ALA 27 12.242 5.628 2.916 330 1HB ALA 27 2HB ALA 27 10.242 6.642 1.903 331 2HB ALA 27 3HB ALA 27 9.202 5.569 2.866 332 3HB ALA 27 1HB ALA 27 10.224 6.784 3.670 333 QB ALA 27 QB ALA 27 9.889 6.332 2.813 334 H LYS 28 HN LYS 28 10.461 2.702 3.349 335 HA LYS 28 HA LYS 28 9.955 1.370 4.991 336 1HB LYS 28 2HB LYS 28 12.437 2.555 6.202 337 2HB LYS 28 3HB LYS 28 11.434 1.442 7.148 338 1HG LYS 28 2HG LYS 28 11.669 -0.338 5.582 339 2HG LYS 28 3HG LYS 28 12.348 0.731 4.355 340 1HD LYS 28 2HD LYS 28 14.027 -0.734 5.385 341 2HD LYS 28 3HD LYS 28 14.400 0.992 5.519 342 1HE LYS 28 2HE LYS 28 13.658 1.020 7.869 343 2HE LYS 28 3HE LYS 28 13.135 -0.669 7.758 344 1HZ LYS 28 1HZ LYS 28 15.444 -1.271 7.400 345 2HZ LYS 28 2HZ LYS 28 15.907 0.307 7.508 346 3HZ LYS 28 3HZ LYS 28 15.264 -0.453 8.815 347 QB LYS 28 QB LYS 28 11.935 1.998 6.675 348 QG LYS 28 QG LYS 28 12.008 0.197 4.968 349 QD LYS 28 QD LYS 28 14.214 0.129 5.452 350 QE LYS 28 QE LYS 28 13.396 0.176 7.814 351 QZ LYS 28 QZ LYS 28 15.538 -0.472 7.908 352 H GLN 29 HN GLN 29 8.042 3.015 4.760 353 HA GLN 29 HA GLN 29 7.025 3.215 7.447 354 1HB GLN 29 2HB GLN 29 6.410 5.653 7.253 355 2HB GLN 29 3HB GLN 29 8.118 5.317 7.564 356 1HG GLN 29 2HG GLN 29 8.654 5.660 5.187 357 2HG GLN 29 3HG GLN 29 6.956 6.018 4.830 358 1HE2 GLN 29 2HE2 GLN 29 7.153 9.193 6.691 359 2HE2 GLN 29 1HE2 GLN 29 6.073 7.815 6.558 360 QB GLN 29 QB GLN 29 7.264 5.485 7.408 361 QG GLN 29 QG GLN 29 7.805 5.839 5.009 362 QE2 GLN 29 QE2 GLN 29 6.613 8.504 6.625 363 H CYS 30 HN CYS 30 4.767 3.684 7.513 364 HA CYS 30 HA CYS 30 3.239 2.682 5.228 365 1HB CYS 30 2HB CYS 30 2.407 3.707 7.953 366 2HB CYS 30 3HB CYS 30 1.329 2.974 6.760 367 QB CYS 30 QB CYS 30 1.868 3.340 7.357 368 H LEU 31 HN LEU 31 2.037 3.940 3.819 369 HA LEU 31 HA LEU 31 1.668 6.817 4.432 370 1HB LEU 31 2HB LEU 31 2.694 5.674 1.813 371 2HB LEU 31 3HB LEU 31 2.376 7.373 2.129 372 HG LEU 31 HG LEU 31 4.617 5.681 3.357 373 1HD1 LEU 31 2HD1 LEU 31 4.810 6.265 0.932 374 2HD1 LEU 31 3HD1 LEU 31 4.670 7.983 1.360 375 3HD1 LEU 31 1HD1 LEU 31 6.057 7.032 1.945 376 1HD2 LEU 31 3HD2 LEU 31 3.771 8.574 3.797 377 2HD2 LEU 31 1HD2 LEU 31 4.244 7.371 5.009 378 3HD2 LEU 31 2HD2 LEU 31 5.465 8.071 3.964 379 QB LEU 31 QB LEU 31 2.535 6.523 1.971 380 QD1 LEU 31 QD1 LEU 31 5.179 7.094 1.412 381 QD2 LEU 31 QD2 LEU 31 4.493 8.006 4.257 382 QQD LEU 31 QQD LEU 31 4.836 7.550 2.834 383 HA PRO 32 HA PRO 32 -2.355 5.890 2.533 384 1HB PRO 32 2HB PRO 32 -3.250 8.446 2.086 385 2HB PRO 32 3HB PRO 32 -3.188 7.719 3.703 386 1HG PRO 32 2HG PRO 32 -1.176 9.571 2.411 387 2HG PRO 32 3HG PRO 32 -1.848 9.660 4.069 388 1HD PRO 32 2HD PRO 32 0.588 8.570 3.519 389 2HD PRO 32 3HD PRO 32 -0.458 7.905 4.810 390 QB PRO 32 QB PRO 32 -3.219 8.083 2.894 391 QG PRO 32 QG PRO 32 -1.512 9.615 3.240 392 QD PRO 32 QD PRO 32 0.065 8.237 4.165 393 H PHE 33 HN PHE 33 -3.424 6.078 0.435 394 HA PHE 33 HA PHE 33 -2.552 7.836 -1.622 395 1HB PHE 33 2HB PHE 33 -1.579 6.304 -3.176 396 2HB PHE 33 3HB PHE 33 -0.651 6.145 -1.710 397 HD1 PHE 33 2HD PHE 33 -1.392 4.160 -0.063 398 HD2 PHE 33 1HD PHE 33 -2.835 4.491 -4.060 399 HE1 PHE 33 2HE PHE 33 -1.747 1.694 -0.186 400 HE2 PHE 33 1HE PHE 33 -2.949 2.038 -4.266 401 HZ PHE 33 HZ PHE 33 -2.307 0.607 -2.270 402 QB PHE 33 QB PHE 33 -1.115 6.224 -2.443 403 QR PHE 33 QR PHE 33 -2.231 3.096 -2.144 404 H ASP 34 HN ASP 34 -3.666 6.835 -3.851 405 HA ASP 34 HA ASP 34 -6.327 5.704 -3.093 406 1HB ASP 34 2HB ASP 34 -5.574 8.025 -4.797 407 2HB ASP 34 3HB ASP 34 -6.663 6.857 -5.550 408 QB ASP 34 QB ASP 34 -6.118 7.441 -5.173 409 OH TYR 35 OH TYR 35 -5.279 -3.718 -7.180 410 H TYR 35 HN TYR 35 -6.359 3.639 -3.630 411 HA TYR 35 HA TYR 35 -4.602 2.516 -5.660 412 1HB TYR 35 2HB TYR 35 -5.203 1.248 -3.591 413 2HB TYR 35 3HB TYR 35 -6.898 1.320 -4.045 414 HD1 TYR 35 HD1 TYR 35 -3.947 0.478 -6.212 415 HD2 TYR 35 HD2 TYR 35 -7.461 -0.994 -4.244 416 HE1 TYR 35 HE1 TYR 35 -3.736 -1.623 -7.463 417 HE2 TYR 35 HE2 TYR 35 -7.049 -3.241 -5.266 418 HH TYR 35 HH TYR 35 -4.739 -3.574 -7.963 419 QB TYR 35 QB TYR 35 -6.051 1.284 -3.818 420 QR TYR 35 QR TYR 35 -5.548 -1.345 -5.796 421 H SER 36 HN SER 36 -5.345 1.367 -7.532 422 HA SER 36 HA SER 36 -7.648 2.599 -8.796 423 1HB SER 36 2HB SER 36 -6.983 1.479 -10.732 424 2HB SER 36 3HB SER 36 -5.521 2.164 -10.023 425 HG SER 36 HG SER 36 -4.814 0.161 -9.518 426 QB SER 36 QB SER 36 -6.252 1.822 -10.378 427 H GLY 37 HN GLY 37 -6.591 -0.767 -8.333 428 1HA GLY 37 1HA GLY 37 -8.512 -2.265 -7.151 429 2HA GLY 37 2HA GLY 37 -9.382 -1.700 -8.580 430 QA GLY 37 QA GLY 37 -8.947 -1.983 -7.865 431 H CYS 38 HN CYS 38 -6.650 -1.600 -10.060 432 HA CYS 38 HA CYS 38 -6.680 -4.488 -10.871 433 1HB CYS 38 2HB CYS 38 -5.869 -2.065 -12.475 434 2HB CYS 38 3HB CYS 38 -6.104 -3.689 -13.093 435 QB CYS 38 QB CYS 38 -5.986 -2.877 -12.784 436 H GLY 39 HN GLY 39 -4.543 -5.276 -11.520 437 1HA GLY 39 1HA GLY 39 -2.334 -5.719 -10.954 438 2HA GLY 39 2HA GLY 39 -2.171 -4.186 -11.816 439 QA GLY 39 QA GLY 39 -2.253 -4.953 -11.385 440 H GLY 40 HN GLY 40 -3.210 -5.099 -8.492 441 1HA GLY 40 1HA GLY 40 -1.387 -3.035 -7.318 442 2HA GLY 40 2HA GLY 40 -2.695 -3.857 -6.494 443 QA GLY 40 QA GLY 40 -2.041 -3.446 -6.906 444 H ASN 41 HN ASN 41 -1.428 -4.688 -4.821 445 HA ASN 41 HA ASN 41 -0.211 -7.236 -5.307 446 1HB ASN 41 2HB ASN 41 1.921 -6.618 -4.275 447 2HB ASN 41 3HB ASN 41 1.708 -5.777 -5.798 448 1HD2 ASN 41 2HD2 ASN 41 2.758 -2.864 -4.074 449 2HD2 ASN 41 1HD2 ASN 41 3.103 -4.127 -5.240 450 QB ASN 41 QB ASN 41 1.814 -6.197 -5.037 451 QD2 ASN 41 QD2 ASN 41 2.931 -3.495 -4.657 452 H ALA 42 HN ALA 42 0.952 -7.593 -2.840 453 HA ALA 42 HA ALA 42 -1.438 -7.604 -1.109 454 1HB ALA 42 2HB ALA 42 1.367 -8.744 -0.788 455 2HB ALA 42 3HB ALA 42 0.043 -8.987 0.368 456 3HB ALA 42 1HB ALA 42 -0.087 -9.623 -1.283 457 QB ALA 42 QB ALA 42 0.441 -9.118 -0.568 458 H ASN 43 HN ASN 43 0.764 -5.181 -1.645 459 HA ASN 43 HA ASN 43 1.104 -4.436 1.194 460 1HB ASN 43 2HB ASN 43 2.921 -4.277 -0.674 461 2HB ASN 43 3HB ASN 43 2.043 -2.851 -1.228 462 1HD2 ASN 43 2HD2 ASN 43 4.640 -1.506 0.958 463 2HD2 ASN 43 1HD2 ASN 43 4.574 -2.329 -0.554 464 QB ASN 43 QB ASN 43 2.482 -3.564 -0.951 465 QD2 ASN 43 QD2 ASN 43 4.607 -1.918 0.202 466 NH1 ARG 44 NH2 ARG 44 -2.302 -0.556 -4.521 467 NH2 ARG 44 NH1 ARG 44 -0.827 -2.270 -4.326 468 H ARG 44 HN ARG 44 -1.392 -4.408 1.245 469 HA ARG 44 HA ARG 44 -2.245 -1.617 0.776 470 1HB ARG 44 2HB ARG 44 -2.830 -3.544 -1.087 471 2HB ARG 44 3HB ARG 44 -4.293 -3.580 -0.125 472 1HG ARG 44 2HG ARG 44 -4.946 -1.440 -0.658 473 2HG ARG 44 3HG ARG 44 -3.300 -0.853 -0.886 474 1HD ARG 44 2HD ARG 44 -4.918 -2.485 -2.860 475 2HD ARG 44 3HD ARG 44 -4.352 -0.849 -2.972 476 HE ARG 44 HE ARG 44 -2.615 -3.327 -2.941 477 1HH1 ARG 44 2HH2 ARG 44 -3.174 -0.113 -4.295 478 2HH1 ARG 44 1HH2 ARG 44 -1.709 -0.181 -5.259 479 1HH2 ARG 44 2HH1 ARG 44 -0.381 -2.980 -3.744 480 2HH2 ARG 44 1HH1 ARG 44 -0.303 -1.795 -5.055 481 QB ARG 44 QB ARG 44 -3.561 -3.562 -0.606 482 QG ARG 44 QG ARG 44 -4.123 -1.146 -0.772 483 QD ARG 44 QD ARG 44 -4.635 -1.667 -2.916 484 QH1 ARG 44 QH2 ARG 44 -2.442 -0.147 -4.777 485 QH2 ARG 44 QH1 ARG 44 -0.342 -2.387 -4.399 486 H PHE 45 HN PHE 45 -3.399 -0.868 2.392 487 HA PHE 45 HA PHE 45 -4.809 -2.651 4.340 488 1HB PHE 45 2HB PHE 45 -2.884 -0.389 4.956 489 2HB PHE 45 3HB PHE 45 -3.791 -1.354 6.109 490 HD1 PHE 45 2HD PHE 45 -3.188 -3.724 6.520 491 HD2 PHE 45 1HD PHE 45 -0.961 -1.347 3.716 492 HE1 PHE 45 2HE PHE 45 -1.303 -5.327 6.662 493 HE2 PHE 45 1HE PHE 45 0.937 -2.937 3.854 494 HZ PHE 45 HZ PHE 45 0.803 -4.880 5.394 495 QB PHE 45 QB PHE 45 -3.337 -0.871 5.532 496 QR PHE 45 QR PHE 45 -1.129 -3.334 5.188 497 H LYS 46 HN LYS 46 -6.588 -1.779 5.191 498 HA LYS 46 HA LYS 46 -7.751 0.553 3.854 499 1HB LYS 46 2HB LYS 46 -9.737 0.025 5.101 500 2HB LYS 46 3HB LYS 46 -9.052 -1.420 4.325 501 1HG LYS 46 2HG LYS 46 -7.916 -1.784 6.721 502 2HG LYS 46 3HG LYS 46 -9.192 -0.715 7.267 503 1HD LYS 46 2HD LYS 46 -9.496 -3.399 5.842 504 2HD LYS 46 3HD LYS 46 -9.749 -3.053 7.539 505 1HE LYS 46 2HE LYS 46 -11.927 -3.143 6.676 506 2HE LYS 46 3HE LYS 46 -11.609 -1.415 6.860 507 1HZ LYS 46 3HZ LYS 46 -11.370 -2.937 4.340 508 2HZ LYS 46 1HZ LYS 46 -12.660 -2.002 4.757 509 3HZ LYS 46 2HZ LYS 46 -11.189 -1.309 4.505 510 QB LYS 46 QB LYS 46 -9.394 -0.698 4.713 511 QG LYS 46 QG LYS 46 -8.554 -1.249 6.994 512 QD LYS 46 QD LYS 46 -9.623 -3.226 6.691 513 QE LYS 46 QE LYS 46 -11.768 -2.279 6.768 514 QZ LYS 46 QZ LYS 46 -11.740 -2.083 4.534 515 H THR 47 HN THR 47 -5.809 0.006 6.684 516 HA THR 47 HA THR 47 -6.182 2.855 7.482 517 HB THR 47 HB THR 47 -6.108 2.142 9.860 518 HG1 THR 47 1HG THR 47 -6.708 -0.025 10.255 519 1HG2 THR 47 2HG2 THR 47 -8.244 2.822 8.857 520 2HG2 THR 47 3HG2 THR 47 -8.553 1.147 8.358 521 3HG2 THR 47 1HG2 THR 47 -8.449 1.556 10.080 522 QG2 THR 47 QG2 THR 47 -8.415 1.842 9.099 523 H ILE 48 HN ILE 48 -4.455 3.852 8.383 524 HA ILE 48 HA ILE 48 -1.825 2.953 7.771 525 HB ILE 48 HB ILE 48 -2.691 5.372 8.339 526 1HG1 ILE 48 2HG1 ILE 48 -0.516 5.989 9.572 527 2HG1 ILE 48 3HG1 ILE 48 -0.080 4.282 9.468 528 1HG2 ILE 48 1HG2 ILE 48 -3.719 4.667 10.544 529 2HG2 ILE 48 2HG2 ILE 48 -2.056 4.514 11.190 530 3HG2 ILE 48 3HG2 ILE 48 -2.647 6.085 10.619 531 1HD1 ILE 48 2HD1 ILE 48 -0.311 4.458 6.969 532 2HD1 ILE 48 3HD1 ILE 48 -0.689 6.184 7.164 533 3HD1 ILE 48 1HD1 ILE 48 0.896 5.573 7.643 534 QG1 ILE 48 QG1 ILE 48 -0.298 5.136 9.520 535 QG2 ILE 48 QG2 ILE 48 -2.807 5.089 10.784 536 QD1 ILE 48 QD1 ILE 48 -0.035 5.405 7.259 537 H GLU 49 HN GLU 49 -3.856 2.455 10.662 538 HA GLU 49 HA GLU 49 -1.659 1.583 12.277 539 1HB GLU 49 2HB GLU 49 -3.372 0.898 13.869 540 2HB GLU 49 3HB GLU 49 -3.813 2.456 13.160 541 1HG GLU 49 2HG GLU 49 -5.148 0.896 11.444 542 2HG GLU 49 3HG GLU 49 -5.080 -0.255 12.778 543 QB GLU 49 QB GLU 49 -3.593 1.677 13.514 544 QG GLU 49 QG GLU 49 -5.114 0.320 12.111 545 H GLU 50 HN GLU 50 -3.931 -0.134 10.110 546 HA GLU 50 HA GLU 50 -3.115 -2.744 10.953 547 1HB GLU 50 2HB GLU 50 -5.200 -1.995 9.726 548 2HB GLU 50 3HB GLU 50 -4.248 -1.957 8.244 549 1HG GLU 50 2HG GLU 50 -3.896 -4.447 8.550 550 2HG GLU 50 3HG GLU 50 -4.794 -4.345 10.071 551 QB GLU 50 QB GLU 50 -4.724 -1.976 8.985 552 QG GLU 50 QG GLU 50 -4.345 -4.396 9.311 553 H CYS 51 HN CYS 51 -2.002 -0.533 8.335 554 HA CYS 51 HA CYS 51 0.141 -2.222 7.427 555 1HB CYS 51 2HB CYS 51 -0.476 -0.304 6.072 556 2HB CYS 51 3HB CYS 51 -0.085 0.818 7.374 557 QB CYS 51 QB CYS 51 -0.281 0.257 6.723 558 NH1 ARG 52 NH2 ARG 52 3.085 4.188 14.891 559 NH2 ARG 52 NH1 ARG 52 1.726 5.823 13.968 560 H ARG 52 HN ARG 52 0.164 0.467 9.809 561 HA ARG 52 HA ARG 52 2.814 0.370 10.548 562 1HB ARG 52 2HB ARG 52 0.965 1.953 11.413 563 2HB ARG 52 3HB ARG 52 0.508 0.662 12.525 564 1HG ARG 52 2HG ARG 52 1.898 1.825 13.903 565 2HG ARG 52 3HG ARG 52 3.083 0.745 13.200 566 1HD ARG 52 2HD ARG 52 4.162 2.814 12.873 567 2HD ARG 52 3HD ARG 52 3.317 2.649 11.349 568 HE ARG 52 HE ARG 52 1.898 4.388 11.893 569 1HH1 ARG 52 2HH2 ARG 52 3.539 3.291 14.802 570 2HH1 ARG 52 1HH2 ARG 52 3.115 4.659 15.783 571 1HH2 ARG 52 2HH1 ARG 52 1.198 6.195 13.191 572 2HH2 ARG 52 1HH1 ARG 52 1.699 6.323 14.844 573 QB ARG 52 QB ARG 52 0.736 1.308 11.969 574 QG ARG 52 QG ARG 52 2.490 1.285 13.551 575 QD ARG 52 QD ARG 52 3.739 2.731 12.111 576 QH1 ARG 52 QH2 ARG 52 3.327 3.975 15.292 577 QH2 ARG 52 QH1 ARG 52 1.449 6.259 14.018 578 NH1 ARG 53 NH2 ARG 53 1.264 -4.051 18.117 579 NH2 ARG 53 NH1 ARG 53 -0.329 -5.562 18.883 580 H ARG 53 HN ARG 53 0.176 -1.564 11.951 581 HA ARG 53 HA ARG 53 1.946 -2.856 13.807 582 1HB ARG 53 2HB ARG 53 -0.777 -2.495 13.621 583 2HB ARG 53 3HB ARG 53 -0.654 -4.195 13.171 584 1HG ARG 53 2HG ARG 53 0.501 -2.836 15.663 585 2HG ARG 53 3HG ARG 53 -1.009 -3.755 15.577 586 1HD ARG 53 2HD ARG 53 0.588 -5.674 14.616 587 2HD ARG 53 3HD ARG 53 1.849 -4.780 15.465 588 HE ARG 53 HE ARG 53 -0.287 -6.414 16.538 589 1HH1 ARG 53 2HH2 ARG 53 1.883 -3.689 17.373 590 2HH1 ARG 53 1HH2 ARG 53 1.349 -3.613 19.018 591 1HH2 ARG 53 2HH1 ARG 53 -0.994 -6.298 18.696 592 2HH2 ARG 53 1HH1 ARG 53 -0.289 -5.178 19.813 593 QB ARG 53 QB ARG 53 -0.715 -3.345 13.396 594 QG ARG 53 QG ARG 53 -0.254 -3.296 15.620 595 QD ARG 53 QD ARG 53 1.219 -5.227 15.041 596 QH1 ARG 53 QH2 ARG 53 1.616 -3.651 18.195 597 QH2 ARG 53 QH1 ARG 53 -0.641 -5.738 19.255 598 H THR 54 HN THR 54 0.877 -3.646 10.516 599 HA THR 54 HA THR 54 1.813 -6.375 10.545 600 HB THR 54 HB THR 54 1.476 -4.409 8.242 601 HG1 THR 54 1HG THR 54 -0.452 -4.899 9.215 602 1HG2 THR 54 1HG2 THR 54 2.003 -7.405 8.291 603 2HG2 THR 54 2HG2 THR 54 1.387 -6.532 6.874 604 3HG2 THR 54 3HG2 THR 54 2.994 -6.139 7.510 605 QG2 THR 54 QG2 THR 54 2.128 -6.692 7.558 606 H CYS 55 HN CYS 55 3.305 -3.240 9.586 607 HA CYS 55 HA CYS 55 5.720 -4.818 8.881 608 1HB CYS 55 2HB CYS 55 4.514 -3.534 7.214 609 2HB CYS 55 3HB CYS 55 5.210 -2.065 7.884 610 QB CYS 55 QB CYS 55 4.862 -2.800 7.549 611 H VAL 56 HN VAL 56 4.795 -2.117 10.815 612 HA VAL 56 HA VAL 56 7.465 -1.882 12.125 613 HB VAL 56 HB VAL 56 5.080 -0.043 12.537 614 1HG1 VAL 56 2HG1 VAL 56 8.081 0.303 12.949 615 2HG1 VAL 56 3HG1 VAL 56 6.942 1.657 12.927 616 3HG1 VAL 56 1HG1 VAL 56 6.799 0.454 14.175 617 1HG2 VAL 56 3HG2 VAL 56 7.231 0.253 10.412 618 2HG2 VAL 56 1HG2 VAL 56 5.484 0.043 10.121 619 3HG2 VAL 56 2HG2 VAL 56 6.070 1.514 10.873 620 QG1 VAL 56 QG1 VAL 56 7.274 0.805 13.350 621 QG2 VAL 56 QG2 VAL 56 6.262 0.603 10.469 622 QQG VAL 56 QQG VAL 56 6.768 0.704 11.910 623 H GLY 57 HN GLY 57 6.433 -1.220 14.712 624 1HA GLY 57 1HA GLY 57 5.356 -3.778 15.678 625 2HA GLY 57 2HA GLY 57 5.914 -2.395 16.627 626 QA GLY 57 QA GLY 57 5.635 -3.086 16.152 Start of MODEL 7 Raw file had 626 H/Q atoms Start of MODEL 7 1 H ALA 1 HN ALA 1 9.246 -6.917 10.279 2 HA ALA 1 HA ALA 1 7.018 -6.794 9.184 3 1HB ALA 1 1HB ALA 1 8.876 -5.171 8.566 4 2HB ALA 1 2HB ALA 1 9.339 -6.277 7.257 5 3HB ALA 1 3HB ALA 1 7.739 -5.515 7.255 6 QB ALA 1 QB ALA 1 8.651 -5.655 7.693 7 H ALA 2 HN ALA 2 5.852 -7.358 7.120 8 HA ALA 2 HA ALA 2 6.151 -10.144 6.380 9 1HB ALA 2 1HB ALA 2 3.970 -8.967 6.447 10 2HB ALA 2 2HB ALA 2 4.508 -7.903 5.126 11 3HB ALA 2 3HB ALA 2 4.302 -9.647 4.841 12 QB ALA 2 QB ALA 2 4.260 -8.839 5.471 13 H LYS 3 HN LYS 3 6.355 -10.833 4.057 14 HA LYS 3 HA LYS 3 8.747 -9.751 2.862 15 1HB LYS 3 2HB LYS 3 6.946 -12.033 2.378 16 2HB LYS 3 3HB LYS 3 7.354 -11.216 0.878 17 1HG LYS 3 2HG LYS 3 9.003 -12.881 1.142 18 2HG LYS 3 3HG LYS 3 9.764 -11.331 1.444 19 1HD LYS 3 2HD LYS 3 10.640 -12.693 3.159 20 2HD LYS 3 3HD LYS 3 9.390 -11.755 3.959 21 1HE LYS 3 2HE LYS 3 9.226 -14.002 4.751 22 2HE LYS 3 3HE LYS 3 7.811 -13.720 3.736 23 1HZ LYS 3 2HZ LYS 3 10.265 -15.137 2.896 24 2HZ LYS 3 3HZ LYS 3 8.860 -15.853 3.346 25 3HZ LYS 3 1HZ LYS 3 8.909 -14.943 1.982 26 QB LYS 3 QB LYS 3 7.150 -11.625 1.628 27 QG LYS 3 QG LYS 3 9.384 -12.106 1.293 28 QD LYS 3 QD LYS 3 10.015 -12.224 3.559 29 QE LYS 3 QE LYS 3 8.519 -13.861 4.244 30 QZ LYS 3 QZ LYS 3 9.345 -15.311 2.741 31 OH TYR 4 OH TYR 4 0.743 -9.028 5.303 32 H TYR 4 HN TYR 4 5.278 -9.587 1.934 33 HA TYR 4 HA TYR 4 5.659 -7.983 -0.327 34 1HB TYR 4 2HB TYR 4 3.236 -7.421 -0.028 35 2HB TYR 4 3HB TYR 4 3.654 -9.137 -0.084 36 HD1 TYR 4 HD2 TYR 4 2.934 -6.357 2.366 37 HD2 TYR 4 HD1 TYR 4 2.661 -10.575 1.480 38 HE1 TYR 4 HE2 TYR 4 1.750 -6.743 4.496 39 HE2 TYR 4 HE1 TYR 4 1.330 -10.913 3.531 40 HH TYR 4 HH TYR 4 0.363 -9.905 5.384 41 QB TYR 4 QB TYR 4 3.445 -8.279 -0.056 42 QR TYR 4 QR TYR 4 2.169 -8.647 2.968 43 H CYS 5 HN CYS 5 5.823 -7.097 2.980 44 HA CYS 5 HA CYS 5 5.227 -4.364 3.030 45 1HB CYS 5 2HB CYS 5 6.085 -5.892 4.941 46 2HB CYS 5 3HB CYS 5 7.704 -5.565 4.288 47 QB CYS 5 QB CYS 5 6.895 -5.729 4.614 48 H LYS 6 HN LYS 6 8.012 -6.040 1.501 49 HA LYS 6 HA LYS 6 9.552 -3.672 1.076 50 1HB LYS 6 2HB LYS 6 10.503 -5.861 1.400 51 2HB LYS 6 3HB LYS 6 9.759 -6.453 -0.109 52 1HG LYS 6 2HG LYS 6 11.112 -5.108 -1.453 53 2HG LYS 6 3HG LYS 6 11.368 -3.929 -0.174 54 1HD LYS 6 2HD LYS 6 13.431 -4.911 -0.530 55 2HD LYS 6 3HD LYS 6 12.870 -5.457 1.046 56 1HE LYS 6 2HE LYS 6 12.374 -7.139 -1.469 57 2HE LYS 6 3HE LYS 6 13.976 -7.148 -0.722 58 1HZ LYS 6 2HZ LYS 6 11.497 -7.837 0.700 59 2HZ LYS 6 3HZ LYS 6 12.568 -8.922 0.069 60 3HZ LYS 6 1HZ LYS 6 13.036 -7.929 1.293 61 QB LYS 6 QB LYS 6 10.131 -6.157 0.646 62 QG LYS 6 QG LYS 6 11.240 -4.519 -0.813 63 QD LYS 6 QD LYS 6 13.151 -5.184 0.258 64 QE LYS 6 QE LYS 6 13.175 -7.143 -1.095 65 QZ LYS 6 QZ LYS 6 12.367 -8.229 0.687 66 H LEU 7 HN LEU 7 6.728 -4.882 -0.627 67 HA LEU 7 HA LEU 7 7.615 -4.244 -3.262 68 1HB LEU 7 2HB LEU 7 4.849 -4.422 -2.069 69 2HB LEU 7 3HB LEU 7 5.177 -4.348 -3.794 70 HG LEU 7 HG LEU 7 6.440 -6.549 -2.114 71 1HD1 LEU 7 3HD1 LEU 7 3.855 -6.420 -1.843 72 2HD1 LEU 7 1HD1 LEU 7 3.823 -6.890 -3.547 73 3HD1 LEU 7 2HD1 LEU 7 4.572 -7.963 -2.378 74 1HD2 LEU 7 3HD2 LEU 7 5.550 -6.345 -5.034 75 2HD2 LEU 7 1HD2 LEU 7 7.232 -6.295 -4.447 76 3HD2 LEU 7 2HD2 LEU 7 6.266 -7.779 -4.274 77 QB LEU 7 QB LEU 7 5.013 -4.385 -2.932 78 QD1 LEU 7 QD1 LEU 7 4.083 -7.091 -2.589 79 QD2 LEU 7 QD2 LEU 7 6.349 -6.806 -4.585 80 QQD LEU 7 QQD LEU 7 5.216 -6.949 -3.587 81 HA PRO 8 HA PRO 8 7.366 0.162 -2.872 82 1HB PRO 8 2HB PRO 8 7.582 0.981 -5.465 83 2HB PRO 8 3HB PRO 8 8.879 0.055 -4.666 84 1HG PRO 8 2HG PRO 8 6.653 -1.037 -6.416 85 2HG PRO 8 3HG PRO 8 8.413 -1.291 -6.617 86 1HD PRO 8 2HD PRO 8 6.868 -3.113 -5.293 87 2HD PRO 8 3HD PRO 8 8.520 -2.713 -4.725 88 QB PRO 8 QB PRO 8 8.230 0.518 -5.066 89 QG PRO 8 QG PRO 8 7.533 -1.164 -6.516 90 QD PRO 8 QD PRO 8 7.694 -2.913 -5.009 91 H LEU 9 HN LEU 9 6.199 2.130 -4.099 92 HA LEU 9 HA LEU 9 3.390 1.852 -3.745 93 1HB LEU 9 2HB LEU 9 4.501 4.081 -3.639 94 2HB LEU 9 3HB LEU 9 4.945 3.939 -5.332 95 HG LEU 9 HG LEU 9 2.617 4.036 -6.029 96 1HD1 LEU 9 2HD1 LEU 9 1.973 3.436 -3.207 97 2HD1 LEU 9 3HD1 LEU 9 1.087 4.822 -3.819 98 3HD1 LEU 9 1HD1 LEU 9 0.987 3.271 -4.656 99 1HD2 LEU 9 2HD2 LEU 9 3.822 6.136 -5.699 100 2HD2 LEU 9 3HD2 LEU 9 2.087 6.317 -5.391 101 3HD2 LEU 9 1HD2 LEU 9 3.221 6.231 -4.028 102 QB LEU 9 QB LEU 9 4.723 4.010 -4.485 103 QD1 LEU 9 QD1 LEU 9 1.349 3.843 -3.894 104 QD2 LEU 9 QD2 LEU 9 3.043 6.228 -5.040 105 QQD LEU 9 QQD LEU 9 2.196 5.035 -4.467 106 NH1 ARG 10 NH2 ARG 10 3.147 -2.821 -11.577 107 NH2 ARG 10 NH1 ARG 10 1.556 -4.516 -11.628 108 H ARG 10 HN ARG 10 1.819 1.417 -5.138 109 HA ARG 10 HA ARG 10 2.368 0.614 -7.934 110 1HB ARG 10 2HB ARG 10 3.161 -1.208 -6.413 111 2HB ARG 10 3HB ARG 10 1.595 -1.215 -5.625 112 1HG ARG 10 2HG ARG 10 1.684 -3.077 -7.126 113 2HG ARG 10 3HG ARG 10 0.556 -1.890 -7.797 114 1HD ARG 10 2HD ARG 10 2.242 -1.156 -9.411 115 2HD ARG 10 3HD ARG 10 3.397 -2.341 -8.737 116 HE ARG 10 HE ARG 10 0.874 -3.588 -9.437 117 1HH1 ARG 10 2HH2 ARG 10 3.570 -2.052 -11.080 118 2HH1 ARG 10 1HH2 ARG 10 3.464 -3.025 -12.513 119 1HH2 ARG 10 2HH1 ARG 10 0.785 -4.985 -11.168 120 2HH2 ARG 10 1HH1 ARG 10 1.846 -4.829 -12.543 121 QB ARG 10 QB ARG 10 2.378 -1.211 -6.019 122 QG ARG 10 QG ARG 10 1.120 -2.483 -7.461 123 QD ARG 10 QD ARG 10 2.820 -1.748 -9.074 124 QH1 ARG 10 QH2 ARG 10 3.517 -2.538 -11.797 125 QH2 ARG 10 QH1 ARG 10 1.316 -4.907 -11.856 126 H ILE 11 HN ILE 11 0.873 2.496 -8.088 127 HA ILE 11 HA ILE 11 -1.713 2.510 -6.876 128 HB ILE 11 HB ILE 11 -0.683 3.883 -9.386 129 1HG1 ILE 11 2HG1 ILE 11 -0.974 4.774 -6.472 130 2HG1 ILE 11 3HG1 ILE 11 0.547 4.456 -7.311 131 1HG2 ILE 11 2HG2 ILE 11 -3.207 4.395 -7.739 132 2HG2 ILE 11 3HG2 ILE 11 -2.617 5.430 -9.047 133 3HG2 ILE 11 1HG2 ILE 11 -3.156 3.796 -9.402 134 1HD1 ILE 11 3HD1 ILE 11 0.028 6.366 -8.857 135 2HD1 ILE 11 1HD1 ILE 11 -1.361 6.759 -7.807 136 3HD1 ILE 11 2HD1 ILE 11 0.275 6.795 -7.151 137 QG1 ILE 11 QG1 ILE 11 -0.214 4.615 -6.891 138 QG2 ILE 11 QG2 ILE 11 -2.993 4.541 -8.729 139 QD1 ILE 11 QD1 ILE 11 -0.353 6.640 -7.938 140 H GLY 12 HN GLY 12 -0.482 1.118 -9.879 141 1HA GLY 12 1HA GLY 12 -1.234 -0.817 -10.859 142 2HA GLY 12 2HA GLY 12 -2.751 -0.766 -9.956 143 QA GLY 12 QA GLY 12 -1.993 -0.791 -10.408 144 HA PRO 13 HA PRO 13 -2.827 1.384 -14.239 145 1HB PRO 13 2HB PRO 13 -3.218 -0.530 -16.138 146 2HB PRO 13 3HB PRO 13 -1.627 -0.252 -15.379 147 1HG PRO 13 2HG PRO 13 -3.714 -2.300 -14.539 148 2HG PRO 13 3HG PRO 13 -2.004 -2.611 -14.967 149 1HD PRO 13 2HD PRO 13 -2.743 -2.254 -12.382 150 2HD PRO 13 3HD PRO 13 -1.231 -1.533 -13.001 151 QB PRO 13 QB PRO 13 -2.423 -0.391 -15.759 152 QG PRO 13 QG PRO 13 -2.859 -2.456 -14.753 153 QD PRO 13 QD PRO 13 -1.987 -1.893 -12.692 154 H CYS 14 HN CYS 14 -5.251 0.180 -12.320 155 HA CYS 14 HA CYS 14 -7.385 0.234 -14.353 156 1HB CYS 14 2HB CYS 14 -7.165 -0.370 -11.460 157 2HB CYS 14 3HB CYS 14 -8.596 0.492 -11.941 158 QB CYS 14 QB CYS 14 -7.880 0.061 -11.700 159 H LYS 15 HN LYS 15 -9.175 1.850 -13.908 160 HA LYS 15 HA LYS 15 -7.994 4.582 -13.550 161 1HB LYS 15 2HB LYS 15 -9.550 5.413 -15.141 162 2HB LYS 15 3HB LYS 15 -8.518 4.156 -15.847 163 1HG LYS 15 2HG LYS 15 -10.390 2.537 -15.768 164 2HG LYS 15 3HG LYS 15 -11.397 3.712 -14.936 165 1HD LYS 15 2HD LYS 15 -12.139 3.899 -17.146 166 2HD LYS 15 3HD LYS 15 -11.104 5.297 -16.876 167 1HE LYS 15 2HE LYS 15 -10.560 4.483 -19.045 168 2HE LYS 15 3HE LYS 15 -9.199 4.035 -18.014 169 1HZ LYS 15 1HZ LYS 15 -10.171 1.811 -17.877 170 2HZ LYS 15 2HZ LYS 15 -11.403 2.265 -18.875 171 3HZ LYS 15 3HZ LYS 15 -9.857 2.237 -19.432 172 QB LYS 15 QB LYS 15 -9.034 4.785 -15.494 173 QG LYS 15 QG LYS 15 -10.893 3.124 -15.352 174 QD LYS 15 QD LYS 15 -11.622 4.598 -17.011 175 QE LYS 15 QE LYS 15 -9.880 4.259 -18.530 176 QZ LYS 15 QZ LYS 15 -10.477 2.104 -18.728 177 NH1 ARG 16 NH2 ARG 16 -12.559 -2.140 -9.312 178 NH2 ARG 16 NH1 ARG 16 -10.646 -2.591 -10.545 179 H ARG 16 HN ARG 16 -8.623 3.302 -11.371 180 HA ARG 16 HA ARG 16 -11.157 4.507 -10.394 181 1HB ARG 16 2HB ARG 16 -9.896 1.827 -9.851 182 2HB ARG 16 3HB ARG 16 -10.924 2.578 -8.613 183 1HG ARG 16 2HG ARG 16 -12.775 2.723 -10.204 184 2HG ARG 16 3HG ARG 16 -11.779 2.021 -11.482 185 1HD ARG 16 2HD ARG 16 -12.444 0.660 -8.826 186 2HD ARG 16 3HD ARG 16 -13.353 0.412 -10.341 187 HE ARG 16 HE ARG 16 -10.618 -0.088 -10.870 188 1HH1 ARG 16 2HH2 ARG 16 -13.218 -1.466 -8.951 189 2HH1 ARG 16 1HH2 ARG 16 -12.687 -3.113 -9.078 190 1HH2 ARG 16 2HH1 ARG 16 -9.882 -2.293 -11.144 191 2HH2 ARG 16 1HH1 ARG 16 -10.722 -3.576 -10.340 192 QB ARG 16 QB ARG 16 -10.410 2.202 -9.232 193 QG ARG 16 QG ARG 16 -12.277 2.372 -10.843 194 QD ARG 16 QD ARG 16 -12.898 0.536 -9.583 195 QH1 ARG 16 QH2 ARG 16 -12.952 -2.290 -9.014 196 QH2 ARG 16 QH1 ARG 16 -10.302 -2.934 -10.742 197 H LYS 17 HN LYS 17 -10.939 4.681 -7.871 198 HA LYS 17 HA LYS 17 -8.339 5.765 -6.999 199 1HB LYS 17 2HB LYS 17 -9.087 7.576 -8.320 200 2HB LYS 17 3HB LYS 17 -10.759 7.432 -7.770 201 1HG LYS 17 2HG LYS 17 -10.441 8.701 -5.956 202 2HG LYS 17 3HG LYS 17 -8.896 7.952 -5.548 203 1HD LYS 17 2HD LYS 17 -7.694 9.284 -7.117 204 2HD LYS 17 3HD LYS 17 -9.174 9.982 -7.797 205 1HE LYS 17 2HE LYS 17 -9.370 11.531 -6.135 206 2HE LYS 17 3HE LYS 17 -9.045 10.334 -4.868 207 1HZ LYS 17 2HZ LYS 17 -6.910 11.587 -6.455 208 2HZ LYS 17 3HZ LYS 17 -7.362 12.040 -4.927 209 3HZ LYS 17 1HZ LYS 17 -6.752 10.557 -5.209 210 QB LYS 17 QB LYS 17 -9.923 7.504 -8.045 211 QG LYS 17 QG LYS 17 -9.668 8.326 -5.752 212 QD LYS 17 QD LYS 17 -8.434 9.633 -7.457 213 QE LYS 17 QE LYS 17 -9.207 10.933 -5.501 214 QZ LYS 17 QZ LYS 17 -7.008 11.395 -5.530 215 H ILE 18 HN ILE 18 -8.537 4.153 -5.422 216 HA ILE 18 HA ILE 18 -10.775 4.389 -3.467 217 HB ILE 18 HB ILE 18 -9.049 2.020 -4.213 218 1HG1 ILE 18 2HG1 ILE 18 -12.038 2.546 -4.598 219 2HG1 ILE 18 3HG1 ILE 18 -10.819 2.680 -5.872 220 1HG2 ILE 18 2HG2 ILE 18 -9.605 2.020 -1.783 221 2HG2 ILE 18 3HG2 ILE 18 -11.319 2.271 -2.182 222 3HG2 ILE 18 1HG2 ILE 18 -10.495 0.762 -2.627 223 1HD1 ILE 18 1HD1 ILE 18 -10.228 0.283 -5.558 224 2HD1 ILE 18 2HD1 ILE 18 -11.605 0.124 -4.437 225 3HD1 ILE 18 3HD1 ILE 18 -11.882 0.573 -6.127 226 QG1 ILE 18 QG1 ILE 18 -11.428 2.613 -5.235 227 QG2 ILE 18 QG2 ILE 18 -10.473 1.685 -2.197 228 QD1 ILE 18 QD1 ILE 18 -11.238 0.327 -5.374 229 HA PRO 19 HA PRO 19 -7.161 6.066 -1.254 230 1HB PRO 19 2HB PRO 19 -8.406 6.900 1.057 231 2HB PRO 19 3HB PRO 19 -8.402 7.796 -0.482 232 1HG PRO 19 2HG PRO 19 -10.555 5.956 0.566 233 2HG PRO 19 3HG PRO 19 -10.754 7.585 -0.138 234 1HD PRO 19 2HD PRO 19 -11.155 5.354 -1.589 235 2HD PRO 19 3HD PRO 19 -10.350 6.768 -2.343 236 QB PRO 19 QB PRO 19 -8.404 7.348 0.288 237 QG PRO 19 QG PRO 19 -10.655 6.771 0.214 238 QD PRO 19 QD PRO 19 -10.752 6.061 -1.966 239 H SER 20 HN SER 20 -5.726 4.718 -0.315 240 HA SER 20 HA SER 20 -6.516 2.754 1.757 241 1HB SER 20 2HB SER 20 -4.689 1.933 -0.544 242 2HB SER 20 3HB SER 20 -5.492 0.888 0.613 243 HG SER 20 HG SER 20 -6.841 2.483 -1.303 244 QB SER 20 QB SER 20 -5.091 1.410 0.035 245 H PHE 21 HN PHE 21 -4.248 1.699 2.387 246 HA PHE 21 HA PHE 21 -2.101 3.753 2.478 247 1HB PHE 21 2HB PHE 21 -2.998 1.938 4.755 248 2HB PHE 21 3HB PHE 21 -1.521 2.892 4.769 249 HD1 PHE 21 2HD PHE 21 -5.239 3.126 4.696 250 HD2 PHE 21 1HD PHE 21 -1.539 5.226 5.342 251 HE1 PHE 21 2HE PHE 21 -6.479 4.969 5.794 252 HE2 PHE 21 1HE PHE 21 -2.784 7.100 6.382 253 HZ PHE 21 HZ PHE 21 -5.251 6.964 6.641 254 QB PHE 21 QB PHE 21 -2.259 2.415 4.762 255 QR PHE 21 QR PHE 21 -4.010 5.105 5.553 256 OH TYR 22 OH TYR 22 3.907 5.598 -1.536 257 H TYR 22 HN TYR 22 0.027 2.900 2.371 258 HA TYR 22 HA TYR 22 0.402 0.001 2.079 259 1HB TYR 22 2HB TYR 22 1.523 0.171 0.055 260 2HB TYR 22 3HB TYR 22 0.035 1.030 -0.272 261 HD1 TYR 22 HD2 TYR 22 0.284 3.720 0.398 262 HD2 TYR 22 HD1 TYR 22 3.485 1.097 -0.806 263 HE1 TYR 22 HE2 TYR 22 1.554 5.655 -0.375 264 HE2 TYR 22 HE1 TYR 22 4.773 3.042 -1.584 265 HH TYR 22 HH TYR 22 3.307 6.343 -1.435 266 QB TYR 22 QB TYR 22 0.779 0.600 -0.108 267 QR TYR 22 QR TYR 22 2.524 3.379 -0.592 268 OH TYR 23 OH TYR 23 9.047 -0.300 7.574 269 H TYR 23 HN TYR 23 2.811 -0.420 2.108 270 HA TYR 23 HA TYR 23 4.232 1.535 3.851 271 1HB TYR 23 2HB TYR 23 3.819 -0.835 4.586 272 2HB TYR 23 3HB TYR 23 4.897 -1.363 3.311 273 HD1 TYR 23 HD1 TYR 23 7.324 -0.796 3.391 274 HD2 TYR 23 HD2 TYR 23 4.656 0.075 6.626 275 HE1 TYR 23 HE1 TYR 23 9.207 -0.851 4.988 276 HE2 TYR 23 HE2 TYR 23 6.570 0.335 8.169 277 HH TYR 23 HH TYR 23 9.877 -0.573 7.184 278 QB TYR 23 QB TYR 23 4.358 -1.099 3.949 279 QR TYR 23 QR TYR 23 6.939 -0.309 5.793 280 H LYS 24 HN LYS 24 5.473 2.964 2.621 281 HA LYS 24 HA LYS 24 6.491 2.006 0.010 282 1HB LYS 24 2HB LYS 24 5.737 4.316 0.193 283 2HB LYS 24 3HB LYS 24 6.973 4.667 1.398 284 1HG LYS 24 2HG LYS 24 8.676 4.701 -0.153 285 2HG LYS 24 3HG LYS 24 8.008 3.348 -1.078 286 1HD LYS 24 2HD LYS 24 7.987 5.255 -2.503 287 2HD LYS 24 3HD LYS 24 6.335 4.783 -2.098 288 1HE LYS 24 2HE LYS 24 6.494 6.587 -0.219 289 2HE LYS 24 3HE LYS 24 7.941 7.164 -1.046 290 1HZ LYS 24 1HZ LYS 24 5.239 6.868 -2.184 291 2HZ LYS 24 2HZ LYS 24 5.921 8.306 -1.729 292 3HZ LYS 24 3HZ LYS 24 6.541 7.479 -3.009 293 QB LYS 24 QB LYS 24 6.355 4.491 0.795 294 QG LYS 24 QG LYS 24 8.342 4.024 -0.616 295 QD LYS 24 QD LYS 24 7.161 5.019 -2.300 296 QE LYS 24 QE LYS 24 7.217 6.876 -0.633 297 QZ LYS 24 QZ LYS 24 5.900 7.551 -2.307 298 CH2 TRP 25 CH2 TRP 25 12.294 -4.017 4.858 299 H TRP 25 HN TRP 25 7.957 0.364 0.455 300 HA TRP 25 HA TRP 25 9.817 0.316 2.536 301 1HB TRP 25 2HB TRP 25 9.166 -1.555 1.107 302 2HB TRP 25 3HB TRP 25 10.141 -0.911 -0.215 303 HD1 TRP 25 HD1 TRP 25 12.716 -1.198 -0.079 304 HE1 TRP 25 HE1 TRP 25 14.363 -2.431 1.441 305 HE3 TRP 25 HE3 TRP 25 9.442 -2.777 3.459 306 HZ2 TRP 25 HZ2 TRP 25 14.258 -3.871 3.972 307 HZ3 TRP 25 HZ3 TRP 25 10.213 -4.061 5.436 308 HH2 TRP 25 HH2 TRP 25 12.627 -4.586 5.713 309 QB TRP 25 QB TRP 25 9.654 -1.233 0.446 310 H LYS 26 HN LYS 26 10.033 2.055 -0.533 311 HA LYS 26 HA LYS 26 12.801 2.609 -0.462 312 1HB LYS 26 2HB LYS 26 11.120 3.068 -2.340 313 2HB LYS 26 3HB LYS 26 10.630 4.500 -1.431 314 1HG LYS 26 2HG LYS 26 12.174 5.247 -3.068 315 2HG LYS 26 3HG LYS 26 13.054 5.287 -1.537 316 1HD LYS 26 2HD LYS 26 14.094 3.027 -2.185 317 2HD LYS 26 3HD LYS 26 13.167 3.101 -3.682 318 1HE LYS 26 2HE LYS 26 15.385 3.792 -4.206 319 2HE LYS 26 3HE LYS 26 14.365 5.233 -4.283 320 1HZ LYS 26 3HZ LYS 26 15.184 5.803 -2.061 321 2HZ LYS 26 1HZ LYS 26 16.147 4.470 -2.051 322 3HZ LYS 26 2HZ LYS 26 16.414 5.666 -3.144 323 QB LYS 26 QB LYS 26 10.875 3.784 -1.886 324 QG LYS 26 QG LYS 26 12.614 5.267 -2.303 325 QD LYS 26 QD LYS 26 13.630 3.064 -2.933 326 QE LYS 26 QE LYS 26 14.875 4.513 -4.245 327 QZ LYS 26 QZ LYS 26 15.915 5.313 -2.418 328 H ALA 27 HN ALA 27 10.169 3.898 1.485 329 HA ALA 27 HA ALA 27 11.964 5.862 2.837 330 1HB ALA 27 1HB ALA 27 9.764 6.717 2.097 331 2HB ALA 27 2HB ALA 27 8.952 5.435 3.025 332 3HB ALA 27 3HB ALA 27 9.896 6.680 3.868 333 QB ALA 27 QB ALA 27 9.538 6.277 2.997 334 H LYS 28 HN LYS 28 10.277 2.830 3.143 335 HA LYS 28 HA LYS 28 9.915 1.319 4.694 336 1HB LYS 28 2HB LYS 28 12.307 2.535 6.091 337 2HB LYS 28 3HB LYS 28 11.395 1.200 6.780 338 1HG LYS 28 2HG LYS 28 12.342 -0.343 5.473 339 2HG LYS 28 3HG LYS 28 12.010 0.576 4.020 340 1HD LYS 28 2HD LYS 28 14.372 0.261 4.170 341 2HD LYS 28 3HD LYS 28 14.005 1.980 4.404 342 1HE LYS 28 2HE LYS 28 14.229 1.674 6.893 343 2HE LYS 28 3HE LYS 28 14.551 -0.049 6.649 344 1HZ LYS 28 3HZ LYS 28 16.226 2.166 5.664 345 2HZ LYS 28 1HZ LYS 28 16.546 1.233 6.977 346 3HZ LYS 28 2HZ LYS 28 16.553 0.561 5.478 347 QB LYS 28 QB LYS 28 11.851 1.868 6.435 348 QG LYS 28 QG LYS 28 12.176 0.117 4.746 349 QD LYS 28 QD LYS 28 14.189 1.120 4.287 350 QE LYS 28 QE LYS 28 14.390 0.813 6.771 351 QZ LYS 28 QZ LYS 28 16.442 1.320 6.040 352 H GLN 29 HN GLN 29 8.001 3.058 4.563 353 HA GLN 29 HA GLN 29 7.074 3.028 7.275 354 1HB GLN 29 2HB GLN 29 8.377 5.435 6.465 355 2HB GLN 29 3HB GLN 29 6.650 5.784 6.386 356 1HG GLN 29 2HG GLN 29 6.380 5.039 8.731 357 2HG GLN 29 3HG GLN 29 8.069 4.501 8.771 358 1HE2 GLN 29 2HE2 GLN 29 7.582 8.591 8.558 359 2HE2 GLN 29 1HE2 GLN 29 6.596 7.575 7.519 360 QB GLN 29 QB GLN 29 7.514 5.609 6.426 361 QG GLN 29 QG GLN 29 7.225 4.770 8.751 362 QE2 GLN 29 QE2 GLN 29 7.089 8.083 8.038 363 H CYS 30 HN CYS 30 4.841 3.601 7.492 364 HA CYS 30 HA CYS 30 3.218 2.779 5.218 365 1HB CYS 30 2HB CYS 30 2.492 3.638 8.034 366 2HB CYS 30 3HB CYS 30 1.353 3.025 6.826 367 QB CYS 30 QB CYS 30 1.923 3.331 7.430 368 H LEU 31 HN LEU 31 1.978 4.066 3.940 369 HA LEU 31 HA LEU 31 1.616 6.928 4.624 370 1HB LEU 31 2HB LEU 31 2.558 5.808 1.953 371 2HB LEU 31 3HB LEU 31 2.268 7.512 2.300 372 HG LEU 31 HG LEU 31 4.500 5.791 3.515 373 1HD1 LEU 31 3HD1 LEU 31 4.673 6.243 1.089 374 2HD1 LEU 31 1HD1 LEU 31 4.561 7.986 1.407 375 3HD1 LEU 31 2HD1 LEU 31 5.945 7.057 2.030 376 1HD2 LEU 31 3HD2 LEU 31 3.918 8.788 3.699 377 2HD2 LEU 31 1HD2 LEU 31 3.912 7.647 5.052 378 3HD2 LEU 31 2HD2 LEU 31 5.429 7.997 4.221 379 QB LEU 31 QB LEU 31 2.413 6.660 2.126 380 QD1 LEU 31 QD1 LEU 31 5.060 7.096 1.509 381 QD2 LEU 31 QD2 LEU 31 4.420 8.144 4.324 382 QQD LEU 31 QQD LEU 31 4.740 7.620 2.916 383 HA PRO 32 HA PRO 32 -2.373 5.963 2.662 384 1HB PRO 32 2HB PRO 32 -3.358 8.442 2.219 385 2HB PRO 32 3HB PRO 32 -3.155 7.813 3.875 386 1HG PRO 32 2HG PRO 32 -1.247 9.602 2.340 387 2HG PRO 32 3HG PRO 32 -1.877 9.852 3.993 388 1HD PRO 32 2HD PRO 32 0.555 8.706 3.515 389 2HD PRO 32 3HD PRO 32 -0.476 8.161 4.872 390 QB PRO 32 QB PRO 32 -3.257 8.128 3.047 391 QG PRO 32 QG PRO 32 -1.562 9.727 3.166 392 QD PRO 32 QD PRO 32 0.039 8.433 4.194 393 H PHE 33 HN PHE 33 -3.355 6.159 0.476 394 HA PHE 33 HA PHE 33 -2.350 7.923 -1.512 395 1HB PHE 33 2HB PHE 33 -1.268 6.468 -3.011 396 2HB PHE 33 3HB PHE 33 -0.451 6.204 -1.495 397 HD1 PHE 33 2HD PHE 33 -1.970 4.226 -0.013 398 HD2 PHE 33 1HD PHE 33 -1.491 4.553 -4.285 399 HE1 PHE 33 2HE PHE 33 -2.266 1.794 -0.234 400 HE2 PHE 33 1HE PHE 33 -1.713 2.117 -4.491 401 HZ PHE 33 HZ PHE 33 -1.995 0.710 -2.390 402 QB PHE 33 QB PHE 33 -0.860 6.336 -2.253 403 QR PHE 33 QR PHE 33 -1.860 3.173 -2.256 404 H ASP 34 HN ASP 34 -3.353 7.109 -3.793 405 HA ASP 34 HA ASP 34 -6.076 6.004 -3.330 406 1HB ASP 34 2HB ASP 34 -4.706 7.376 -5.684 407 2HB ASP 34 3HB ASP 34 -6.330 6.696 -5.715 408 QB ASP 34 QB ASP 34 -5.518 7.036 -5.700 409 OH TYR 35 OH TYR 35 -5.137 -3.619 -7.284 410 H TYR 35 HN TYR 35 -6.176 3.783 -3.706 411 HA TYR 35 HA TYR 35 -4.202 2.506 -5.503 412 1HB TYR 35 2HB TYR 35 -4.970 1.258 -3.515 413 2HB TYR 35 3HB TYR 35 -6.640 1.413 -4.053 414 HD1 TYR 35 HD1 TYR 35 -3.660 0.504 -6.151 415 HD2 TYR 35 HD2 TYR 35 -7.321 -0.843 -4.409 416 HE1 TYR 35 HE1 TYR 35 -3.587 -1.500 -7.575 417 HE2 TYR 35 HE2 TYR 35 -6.935 -3.106 -5.422 418 HH TYR 35 HH TYR 35 -5.988 -4.080 -7.303 419 QB TYR 35 QB TYR 35 -5.805 1.336 -3.784 420 QR TYR 35 QR TYR 35 -5.376 -1.236 -5.889 421 H SER 36 HN SER 36 -4.958 1.529 -7.535 422 HA SER 36 HA SER 36 -7.269 2.892 -8.724 423 1HB SER 36 2HB SER 36 -6.730 1.719 -10.702 424 2HB SER 36 3HB SER 36 -5.272 2.483 -10.087 425 HG SER 36 HG SER 36 -4.485 0.548 -9.476 426 QB SER 36 QB SER 36 -6.001 2.101 -10.395 427 H GLY 37 HN GLY 37 -6.489 -0.556 -8.821 428 1HA GLY 37 1HA GLY 37 -8.461 -1.579 -7.068 429 2HA GLY 37 2HA GLY 37 -9.256 -1.335 -8.618 430 QA GLY 37 QA GLY 37 -8.858 -1.457 -7.843 431 H CYS 38 HN CYS 38 -7.044 -1.911 -10.336 432 HA CYS 38 HA CYS 38 -6.662 -4.829 -9.885 433 1HB CYS 38 2HB CYS 38 -6.579 -5.142 -12.249 434 2HB CYS 38 3HB CYS 38 -8.158 -4.539 -11.768 435 QB CYS 38 QB CYS 38 -7.369 -4.841 -12.008 436 H GLY 39 HN GLY 39 -4.702 -5.686 -10.533 437 1HA GLY 39 1HA GLY 39 -2.473 -5.837 -10.776 438 2HA GLY 39 2HA GLY 39 -2.555 -4.380 -11.756 439 QA GLY 39 QA GLY 39 -2.514 -5.109 -11.266 440 H GLY 40 HN GLY 40 -3.513 -4.277 -8.320 441 1HA GLY 40 1HA GLY 40 -1.392 -2.560 -7.448 442 2HA GLY 40 2HA GLY 40 -2.495 -3.448 -6.455 443 QA GLY 40 QA GLY 40 -1.943 -3.004 -6.952 444 H ASN 41 HN ASN 41 -1.224 -4.336 -4.977 445 HA ASN 41 HA ASN 41 0.017 -6.816 -5.532 446 1HB ASN 41 2HB ASN 41 2.166 -6.291 -4.575 447 2HB ASN 41 3HB ASN 41 1.937 -5.294 -5.990 448 1HD2 ASN 41 2HD2 ASN 41 3.045 -2.534 -4.034 449 2HD2 ASN 41 1HD2 ASN 41 3.293 -3.638 -5.366 450 QB ASN 41 QB ASN 41 2.052 -5.793 -5.283 451 QD2 ASN 41 QD2 ASN 41 3.169 -3.086 -4.700 452 H ALA 42 HN ALA 42 1.002 -7.389 -3.100 453 HA ALA 42 HA ALA 42 -1.381 -7.355 -1.423 454 1HB ALA 42 1HB ALA 42 1.427 -8.473 -0.999 455 2HB ALA 42 2HB ALA 42 0.046 -8.779 0.070 456 3HB ALA 42 3HB ALA 42 0.027 -9.371 -1.604 457 QB ALA 42 QB ALA 42 0.500 -8.874 -0.844 458 H ASN 43 HN ASN 43 1.139 -5.109 -1.677 459 HA ASN 43 HA ASN 43 1.320 -4.382 1.141 460 1HB ASN 43 2HB ASN 43 3.094 -4.060 -0.805 461 2HB ASN 43 3HB ASN 43 2.156 -2.649 -1.217 462 1HD2 ASN 43 2HD2 ASN 43 4.803 -1.469 1.095 463 2HD2 ASN 43 1HD2 ASN 43 4.802 -2.289 -0.424 464 QB ASN 43 QB ASN 43 2.625 -3.354 -1.011 465 QD2 ASN 43 QD2 ASN 43 4.802 -1.879 0.335 466 NH1 ARG 44 NH2 ARG 44 -1.998 -0.563 -4.489 467 NH2 ARG 44 NH1 ARG 44 -0.628 -2.338 -4.056 468 H ARG 44 HN ARG 44 -1.197 -4.366 1.187 469 HA ARG 44 HA ARG 44 -2.058 -1.540 0.863 470 1HB ARG 44 2HB ARG 44 -2.548 -3.410 -1.112 471 2HB ARG 44 3HB ARG 44 -4.077 -3.411 -0.236 472 1HG ARG 44 2HG ARG 44 -4.412 -1.070 -0.570 473 2HG ARG 44 3HG ARG 44 -2.720 -0.822 -1.027 474 1HD ARG 44 2HD ARG 44 -4.843 -2.227 -2.676 475 2HD ARG 44 3HD ARG 44 -4.096 -0.693 -2.972 476 HE ARG 44 HE ARG 44 -2.716 -3.372 -3.148 477 1HH1 ARG 44 2HH2 ARG 44 -2.867 -0.078 -4.349 478 2HH1 ARG 44 1HH2 ARG 44 -1.332 -0.185 -5.159 479 1HH2 ARG 44 2HH1 ARG 44 -0.361 -3.116 -3.446 480 2HH2 ARG 44 1HH1 ARG 44 0.118 -1.852 -4.521 481 QB ARG 44 QB ARG 44 -3.312 -3.410 -0.674 482 QG ARG 44 QG ARG 44 -3.566 -0.946 -0.799 483 QD ARG 44 QD ARG 44 -4.469 -1.460 -2.824 484 QH1 ARG 44 QH2 ARG 44 -2.100 -0.131 -4.754 485 QH2 ARG 44 QH1 ARG 44 -0.121 -2.484 -3.983 486 H PHE 45 HN PHE 45 -3.309 -0.819 2.372 487 HA PHE 45 HA PHE 45 -4.779 -2.623 4.262 488 1HB PHE 45 2HB PHE 45 -2.827 -0.390 4.918 489 2HB PHE 45 3HB PHE 45 -3.783 -1.304 6.067 490 HD1 PHE 45 2HD PHE 45 -3.288 -3.716 6.511 491 HD2 PHE 45 1HD PHE 45 -0.856 -1.396 3.801 492 HE1 PHE 45 2HE PHE 45 -1.512 -5.420 6.643 493 HE2 PHE 45 1HE PHE 45 0.932 -3.107 3.947 494 HZ PHE 45 HZ PHE 45 0.628 -5.089 5.420 495 QB PHE 45 QB PHE 45 -3.305 -0.847 5.492 496 QR PHE 45 QR PHE 45 -1.181 -3.410 5.225 497 H LYS 46 HN LYS 46 -6.638 -1.709 5.072 498 HA LYS 46 HA LYS 46 -7.569 0.713 3.769 499 1HB LYS 46 2HB LYS 46 -8.731 -1.277 5.683 500 2HB LYS 46 3HB LYS 46 -9.425 0.338 5.727 501 1HG LYS 46 2HG LYS 46 -9.123 -1.103 3.070 502 2HG LYS 46 3HG LYS 46 -10.454 -1.463 4.173 503 1HD LYS 46 2HD LYS 46 -11.220 0.124 2.561 504 2HD LYS 46 3HD LYS 46 -11.208 0.870 4.163 505 1HE LYS 46 2HE LYS 46 -9.188 2.154 3.607 506 2HE LYS 46 3HE LYS 46 -8.998 1.264 2.079 507 1HZ LYS 46 2HZ LYS 46 -11.067 2.270 1.360 508 2HZ LYS 46 3HZ LYS 46 -11.116 3.177 2.755 509 3HZ LYS 46 1HZ LYS 46 -9.878 3.349 1.684 510 QB LYS 46 QB LYS 46 -9.078 -0.469 5.705 511 QG LYS 46 QG LYS 46 -9.788 -1.283 3.621 512 QD LYS 46 QD LYS 46 -11.214 0.497 3.362 513 QE LYS 46 QE LYS 46 -9.093 1.709 2.843 514 QZ LYS 46 QZ LYS 46 -10.687 2.932 1.933 515 H THR 47 HN THR 47 -5.695 0.050 6.618 516 HA THR 47 HA THR 47 -6.054 2.899 7.432 517 HB THR 47 HB THR 47 -6.175 2.373 9.728 518 HG1 THR 47 1HG THR 47 -6.322 0.079 10.315 519 1HG2 THR 47 1HG2 THR 47 -8.334 2.234 8.453 520 2HG2 THR 47 2HG2 THR 47 -8.126 0.469 8.361 521 3HG2 THR 47 3HG2 THR 47 -8.308 1.261 9.933 522 QG2 THR 47 QG2 THR 47 -8.256 1.321 8.916 523 H ILE 48 HN ILE 48 -4.296 3.914 8.297 524 HA ILE 48 HA ILE 48 -1.670 2.998 7.773 525 HB ILE 48 HB ILE 48 -2.480 5.415 8.399 526 1HG1 ILE 48 2HG1 ILE 48 -0.371 5.870 9.859 527 2HG1 ILE 48 3HG1 ILE 48 0.012 4.162 9.614 528 1HG2 ILE 48 2HG2 ILE 48 -3.614 4.603 10.559 529 2HG2 ILE 48 3HG2 ILE 48 -1.947 4.487 11.208 530 3HG2 ILE 48 1HG2 ILE 48 -2.581 6.046 10.680 531 1HD1 ILE 48 2HD1 ILE 48 -0.084 4.598 7.143 532 2HD1 ILE 48 3HD1 ILE 48 -0.352 6.321 7.515 533 3HD1 ILE 48 1HD1 ILE 48 1.159 5.534 8.022 534 QG1 ILE 48 QG1 ILE 48 -0.179 5.016 9.736 535 QG2 ILE 48 QG2 ILE 48 -2.714 5.045 10.815 536 QD1 ILE 48 QD1 ILE 48 0.241 5.484 7.560 537 H GLU 49 HN GLU 49 -3.813 2.525 10.607 538 HA GLU 49 HA GLU 49 -1.661 1.557 12.209 539 1HB GLU 49 2HB GLU 49 -4.662 1.127 12.626 540 2HB GLU 49 3HB GLU 49 -3.370 0.994 13.829 541 1HG GLU 49 2HG GLU 49 -2.923 3.533 12.807 542 2HG GLU 49 3HG GLU 49 -4.688 3.439 12.745 543 QB GLU 49 QB GLU 49 -4.016 1.061 13.228 544 QG GLU 49 QG GLU 49 -3.806 3.486 12.776 545 H GLU 50 HN GLU 50 -3.987 -0.079 10.029 546 HA GLU 50 HA GLU 50 -3.143 -2.680 10.917 547 1HB GLU 50 2HB GLU 50 -5.280 -2.069 9.589 548 2HB GLU 50 3HB GLU 50 -4.243 -2.081 8.156 549 1HG GLU 50 2HG GLU 50 -5.255 -4.261 8.371 550 2HG GLU 50 3HG GLU 50 -3.581 -4.488 8.918 551 QB GLU 50 QB GLU 50 -4.762 -2.075 8.872 552 QG GLU 50 QG GLU 50 -4.418 -4.374 8.645 553 H CYS 51 HN CYS 51 -2.131 -0.500 8.212 554 HA CYS 51 HA CYS 51 -0.056 -2.151 7.187 555 1HB CYS 51 2HB CYS 51 -0.637 -0.105 6.009 556 2HB CYS 51 3HB CYS 51 -0.135 0.894 7.372 557 QB CYS 51 QB CYS 51 -0.386 0.394 6.691 558 NH1 ARG 52 NH2 ARG 52 2.076 2.834 15.590 559 NH2 ARG 52 NH1 ARG 52 -0.128 3.438 15.271 560 H ARG 52 HN ARG 52 0.153 0.366 9.758 561 HA ARG 52 HA ARG 52 2.858 -0.130 10.349 562 1HB ARG 52 2HB ARG 52 1.408 1.823 10.922 563 2HB ARG 52 3HB ARG 52 0.724 0.877 12.262 564 1HG ARG 52 2HG ARG 52 2.860 0.855 13.397 565 2HG ARG 52 3HG ARG 52 3.724 1.331 11.921 566 1HD ARG 52 2HD ARG 52 3.515 3.297 13.418 567 2HD ARG 52 3HD ARG 52 2.725 3.508 11.879 568 HE ARG 52 HE ARG 52 0.659 3.537 12.770 569 1HH1 ARG 52 2HH2 ARG 52 2.973 2.592 15.201 570 2HH1 ARG 52 1HH2 ARG 52 1.946 2.781 16.589 571 1HH2 ARG 52 2HH1 ARG 52 -0.999 3.641 14.757 572 2HH2 ARG 52 1HH1 ARG 52 -0.300 3.375 16.263 573 QB ARG 52 QB ARG 52 1.066 1.350 11.592 574 QG ARG 52 QG ARG 52 3.292 1.093 12.659 575 QD ARG 52 QD ARG 52 3.120 3.402 12.648 576 QH1 ARG 52 QH2 ARG 52 2.460 2.687 15.895 577 QH2 ARG 52 QH1 ARG 52 -0.650 3.508 15.510 578 NH1 ARG 53 NH2 ARG 53 -4.449 -5.271 16.547 579 NH2 ARG 53 NH1 ARG 53 -3.201 -6.526 18.048 580 H ARG 53 HN ARG 53 -0.080 -1.694 11.726 581 HA ARG 53 HA ARG 53 1.423 -3.150 13.694 582 1HB ARG 53 2HB ARG 53 -1.027 -2.590 13.741 583 2HB ARG 53 3HB ARG 53 -1.300 -3.862 12.536 584 1HG ARG 53 2HG ARG 53 -0.370 -5.529 14.147 585 2HG ARG 53 3HG ARG 53 -0.017 -4.214 15.290 586 1HD ARG 53 2HD ARG 53 -2.454 -3.641 15.322 587 2HD ARG 53 3HD ARG 53 -2.764 -5.039 14.260 588 HE ARG 53 HE ARG 53 -1.283 -5.909 16.529 589 1HH1 ARG 53 2HH2 ARG 53 -4.485 -4.733 15.691 590 2HH1 ARG 53 1HH2 ARG 53 -5.306 -5.438 17.049 591 1HH2 ARG 53 2HH1 ARG 53 -2.315 -6.903 18.352 592 2HH2 ARG 53 1HH1 ARG 53 -4.023 -6.737 18.596 593 QB ARG 53 QB ARG 53 -1.163 -3.226 13.138 594 QG ARG 53 QG ARG 53 -0.194 -4.871 14.718 595 QD ARG 53 QD ARG 53 -2.609 -4.340 14.791 596 QH1 ARG 53 QH2 ARG 53 -4.896 -5.086 16.370 597 QH2 ARG 53 QH1 ARG 53 -3.169 -6.820 18.474 598 H THR 54 HN THR 54 0.738 -3.747 10.275 599 HA THR 54 HA THR 54 1.517 -6.570 10.462 600 HB THR 54 HB THR 54 0.984 -4.840 8.025 601 HG1 THR 54 1HG THR 54 -0.808 -4.907 9.393 602 1HG2 THR 54 3HG2 THR 54 0.941 -7.865 8.478 603 2HG2 THR 54 1HG2 THR 54 0.405 -7.042 7.003 604 3HG2 THR 54 2HG2 THR 54 2.119 -6.989 7.470 605 QG2 THR 54 QG2 THR 54 1.155 -7.299 7.650 606 H CYS 55 HN CYS 55 2.953 -3.559 9.153 607 HA CYS 55 HA CYS 55 5.393 -4.972 8.268 608 1HB CYS 55 2HB CYS 55 4.305 -2.190 8.071 609 2HB CYS 55 3HB CYS 55 6.032 -2.444 7.885 610 QB CYS 55 QB CYS 55 5.168 -2.317 7.978 611 H VAL 56 HN VAL 56 4.380 -2.752 10.876 612 HA VAL 56 HA VAL 56 7.092 -2.754 12.091 613 HB VAL 56 HB VAL 56 4.851 -0.753 12.599 614 1HG1 VAL 56 2HG1 VAL 56 7.828 -0.622 13.089 615 2HG1 VAL 56 3HG1 VAL 56 6.716 0.757 13.208 616 3HG1 VAL 56 1HG1 VAL 56 6.515 -0.598 14.298 617 1HG2 VAL 56 2HG2 VAL 56 7.018 -0.553 10.490 618 2HG2 VAL 56 3HG2 VAL 56 5.257 -0.565 10.214 619 3HG2 VAL 56 1HG2 VAL 56 5.999 0.799 11.035 620 QG1 VAL 56 QG1 VAL 56 7.020 -0.154 13.532 621 QG2 VAL 56 QG2 VAL 56 6.091 -0.106 10.579 622 QQG VAL 56 QQG VAL 56 6.556 -0.130 12.056 623 H GLY 57 HN GLY 57 6.822 -2.571 14.635 624 1HA GLY 57 1HA GLY 57 4.865 -3.093 16.308 625 2HA GLY 57 2HA GLY 57 5.083 -4.706 15.576 626 QA GLY 57 QA GLY 57 4.974 -3.900 15.942 Start of MODEL 8 Raw file had 626 H/Q atoms Start of MODEL 8 1 H ALA 1 HN ALA 1 7.119 -6.175 10.464 2 HA ALA 1 HA ALA 1 7.199 -6.176 7.985 3 1HB ALA 1 1HB ALA 1 9.260 -5.977 9.151 4 2HB ALA 1 2HB ALA 1 9.416 -7.754 9.219 5 3HB ALA 1 3HB ALA 1 9.419 -6.903 7.645 6 QB ALA 1 QB ALA 1 9.365 -6.878 8.671 7 H ALA 2 HN ALA 2 7.090 -7.190 6.065 8 HA ALA 2 HA ALA 2 6.463 -10.091 5.947 9 1HB ALA 2 1HB ALA 2 4.308 -8.852 6.097 10 2HB ALA 2 2HB ALA 2 4.795 -7.872 4.697 11 3HB ALA 2 3HB ALA 2 4.553 -9.624 4.523 12 QB ALA 2 QB ALA 2 4.552 -8.783 5.106 13 H LYS 3 HN LYS 3 6.417 -10.685 3.511 14 HA LYS 3 HA LYS 3 8.831 -9.659 2.222 15 1HB LYS 3 2HB LYS 3 6.848 -11.809 1.714 16 2HB LYS 3 3HB LYS 3 7.223 -10.890 0.274 17 1HG LYS 3 2HG LYS 3 8.719 -12.452 0.013 18 2HG LYS 3 3HG LYS 3 9.749 -11.320 0.848 19 1HD LYS 3 2HD LYS 3 8.256 -13.465 2.451 20 2HD LYS 3 3HD LYS 3 9.529 -13.969 1.363 21 1HE LYS 3 2HE LYS 3 10.626 -13.784 3.404 22 2HE LYS 3 3HE LYS 3 11.127 -12.369 2.483 23 1HZ LYS 3 3HZ LYS 3 9.348 -11.167 3.738 24 2HZ LYS 3 1HZ LYS 3 9.163 -12.509 4.675 25 3HZ LYS 3 2HZ LYS 3 10.602 -11.718 4.671 26 QB LYS 3 QB LYS 3 7.036 -11.349 0.994 27 QG LYS 3 QG LYS 3 9.234 -11.886 0.431 28 QD LYS 3 QD LYS 3 8.893 -13.717 1.907 29 QE LYS 3 QE LYS 3 10.876 -13.076 2.944 30 QZ LYS 3 QZ LYS 3 9.704 -11.798 4.361 31 OH TYR 4 OH TYR 4 1.186 -8.932 5.246 32 H TYR 4 HN TYR 4 5.337 -9.469 1.560 33 HA TYR 4 HA TYR 4 5.611 -7.789 -0.664 34 1HB TYR 4 2HB TYR 4 3.179 -7.336 -0.331 35 2HB TYR 4 3HB TYR 4 3.657 -9.036 -0.361 36 HD1 TYR 4 HD2 TYR 4 2.857 -6.224 1.995 37 HD2 TYR 4 HD1 TYR 4 2.879 -10.489 1.336 38 HE1 TYR 4 HE2 TYR 4 1.912 -6.579 4.218 39 HE2 TYR 4 HE1 TYR 4 1.778 -10.824 3.532 40 HH TYR 4 HH TYR 4 0.851 -8.136 5.662 41 QB TYR 4 QB TYR 4 3.418 -8.186 -0.346 42 QR TYR 4 QR TYR 4 2.357 -8.529 2.770 43 H CYS 5 HN CYS 5 5.916 -6.979 2.629 44 HA CYS 5 HA CYS 5 5.071 -4.252 2.673 45 1HB CYS 5 2HB CYS 5 5.745 -5.556 4.654 46 2HB CYS 5 3HB CYS 5 7.435 -5.469 4.154 47 QB CYS 5 QB CYS 5 6.590 -5.513 4.404 48 H LYS 6 HN LYS 6 7.862 -5.788 1.289 49 HA LYS 6 HA LYS 6 9.426 -3.396 0.751 50 1HB LYS 6 2HB LYS 6 9.554 -6.265 -0.126 51 2HB LYS 6 3HB LYS 6 10.442 -5.048 -1.044 52 1HG LYS 6 2HG LYS 6 11.625 -4.246 0.788 53 2HG LYS 6 3HG LYS 6 10.629 -5.130 1.965 54 1HD LYS 6 2HD LYS 6 12.290 -6.528 -0.139 55 2HD LYS 6 3HD LYS 6 13.032 -5.965 1.367 56 1HE LYS 6 2HE LYS 6 10.605 -7.829 1.284 57 2HE LYS 6 3HE LYS 6 12.277 -8.401 1.383 58 1HZ LYS 6 2HZ LYS 6 12.522 -7.153 3.423 59 2HZ LYS 6 3HZ LYS 6 10.956 -6.650 3.353 60 3HZ LYS 6 1HZ LYS 6 11.294 -8.239 3.553 61 QB LYS 6 QB LYS 6 9.998 -5.657 -0.585 62 QG LYS 6 QG LYS 6 11.127 -4.688 1.377 63 QD LYS 6 QD LYS 6 12.661 -6.247 0.614 64 QE LYS 6 QE LYS 6 11.441 -8.115 1.334 65 QZ LYS 6 QZ LYS 6 11.590 -7.347 3.443 66 H LEU 7 HN LEU 7 6.595 -4.692 -0.903 67 HA LEU 7 HA LEU 7 7.406 -3.961 -3.512 68 1HB LEU 7 2HB LEU 7 4.641 -4.203 -2.311 69 2HB LEU 7 3HB LEU 7 4.990 -4.107 -4.035 70 HG LEU 7 HG LEU 7 6.282 -6.308 -2.393 71 1HD1 LEU 7 1HD1 LEU 7 3.656 -6.214 -2.155 72 2HD1 LEU 7 2HD1 LEU 7 3.711 -6.706 -3.856 73 3HD1 LEU 7 3HD1 LEU 7 4.437 -7.745 -2.646 74 1HD2 LEU 7 1HD2 LEU 7 5.336 -6.064 -5.292 75 2HD2 LEU 7 2HD2 LEU 7 7.027 -6.015 -4.738 76 3HD2 LEU 7 3HD2 LEU 7 6.064 -7.507 -4.572 77 QB LEU 7 QB LEU 7 4.816 -4.155 -3.173 78 QD1 LEU 7 QD1 LEU 7 3.934 -6.889 -2.886 79 QD2 LEU 7 QD2 LEU 7 6.142 -6.528 -4.867 80 QQD LEU 7 QQD LEU 7 5.038 -6.708 -3.877 81 HA PRO 8 HA PRO 8 7.024 0.441 -3.083 82 1HB PRO 8 2HB PRO 8 7.201 1.281 -5.689 83 2HB PRO 8 3HB PRO 8 8.532 0.438 -4.853 84 1HG PRO 8 2HG PRO 8 6.429 -0.786 -6.666 85 2HG PRO 8 3HG PRO 8 8.207 -0.944 -6.790 86 1HD PRO 8 2HD PRO 8 6.677 -2.831 -5.521 87 2HD PRO 8 3HD PRO 8 8.300 -2.375 -4.912 88 QB PRO 8 QB PRO 8 7.866 0.859 -5.271 89 QG PRO 8 QG PRO 8 7.318 -0.865 -6.728 90 QD PRO 8 QD PRO 8 7.488 -2.603 -5.217 91 H LEU 9 HN LEU 9 5.818 2.333 -4.483 92 HA LEU 9 HA LEU 9 3.091 2.229 -3.760 93 1HB LEU 9 2HB LEU 9 4.343 4.306 -3.913 94 2HB LEU 9 3HB LEU 9 4.599 4.090 -5.637 95 HG LEU 9 HG LEU 9 2.308 4.479 -6.157 96 1HD1 LEU 9 2HD1 LEU 9 1.731 4.214 -3.174 97 2HD1 LEU 9 3HD1 LEU 9 0.614 4.924 -4.339 98 3HD1 LEU 9 1HD1 LEU 9 1.075 3.225 -4.485 99 1HD2 LEU 9 2HD2 LEU 9 3.693 6.476 -5.526 100 2HD2 LEU 9 3HD2 LEU 9 1.949 6.711 -5.307 101 3HD2 LEU 9 1HD2 LEU 9 2.982 6.404 -3.896 102 QB LEU 9 QB LEU 9 4.471 4.198 -4.775 103 QD1 LEU 9 QD1 LEU 9 1.140 4.121 -4.000 104 QD2 LEU 9 QD2 LEU 9 2.875 6.530 -4.910 105 QQD LEU 9 QQD LEU 9 2.007 5.326 -4.455 106 NH1 ARG 10 NH2 ARG 10 0.963 -4.446 -10.015 107 NH2 ARG 10 NH1 ARG 10 1.220 -3.113 -11.885 108 H ARG 10 HN ARG 10 2.166 0.434 -4.640 109 HA ARG 10 HA ARG 10 1.999 0.168 -7.583 110 1HB ARG 10 2HB ARG 10 2.822 -1.602 -5.966 111 2HB ARG 10 3HB ARG 10 1.151 -1.702 -5.382 112 1HG ARG 10 2HG ARG 10 1.367 -3.436 -6.962 113 2HG ARG 10 3HG ARG 10 0.488 -2.169 -7.825 114 1HD ARG 10 2HD ARG 10 3.261 -1.707 -8.316 115 2HD ARG 10 3HD ARG 10 3.080 -3.449 -8.399 116 HE ARG 10 HE ARG 10 2.252 -1.490 -10.302 117 1HH1 ARG 10 2HH2 ARG 10 0.882 -4.559 -9.002 118 2HH1 ARG 10 1HH2 ARG 10 0.603 -5.205 -10.573 119 1HH2 ARG 10 2HH1 ARG 10 1.563 -2.276 -12.333 120 2HH2 ARG 10 1HH1 ARG 10 0.800 -3.824 -12.468 121 QB ARG 10 QB ARG 10 1.987 -1.652 -5.674 122 QG ARG 10 QG ARG 10 0.928 -2.803 -7.394 123 QD ARG 10 QD ARG 10 3.171 -2.578 -8.358 124 QH1 ARG 10 QH2 ARG 10 0.742 -4.882 -9.787 125 QH2 ARG 10 QH1 ARG 10 1.181 -3.050 -12.401 126 H ILE 11 HN ILE 11 0.570 2.042 -7.649 127 HA ILE 11 HA ILE 11 -2.111 2.125 -6.720 128 HB ILE 11 HB ILE 11 -0.910 3.134 -9.318 129 1HG1 ILE 11 2HG1 ILE 11 -1.472 4.688 -6.761 130 2HG1 ILE 11 3HG1 ILE 11 0.092 3.919 -7.026 131 1HG2 ILE 11 2HG2 ILE 11 -3.556 3.673 -7.903 132 2HG2 ILE 11 3HG2 ILE 11 -2.888 4.802 -9.084 133 3HG2 ILE 11 1HG2 ILE 11 -3.301 3.159 -9.577 134 1HD1 ILE 11 2HD1 ILE 11 0.452 5.190 -9.070 135 2HD1 ILE 11 3HD1 ILE 11 -1.091 6.045 -8.828 136 3HD1 ILE 11 1HD1 ILE 11 0.217 6.228 -7.650 137 QG1 ILE 11 QG1 ILE 11 -0.690 4.303 -6.894 138 QG2 ILE 11 QG2 ILE 11 -3.248 3.878 -8.854 139 QD1 ILE 11 QD1 ILE 11 -0.140 5.821 -8.516 140 H GLY 12 HN GLY 12 -0.604 0.320 -9.314 141 1HA GLY 12 1HA GLY 12 -1.345 -1.687 -10.228 142 2HA GLY 12 2HA GLY 12 -3.028 -1.357 -9.779 143 QA GLY 12 QA GLY 12 -2.187 -1.522 -10.003 144 HA PRO 13 HA PRO 13 -1.872 0.035 -14.142 145 1HB PRO 13 2HB PRO 13 -3.468 -1.647 -15.619 146 2HB PRO 13 3HB PRO 13 -1.831 -2.065 -15.047 147 1HG PRO 13 2HG PRO 13 -4.470 -2.801 -13.774 148 2HG PRO 13 3HG PRO 13 -3.070 -3.867 -14.097 149 1HD PRO 13 2HD PRO 13 -3.502 -2.731 -11.645 150 2HD PRO 13 3HD PRO 13 -1.839 -2.931 -12.272 151 QB PRO 13 QB PRO 13 -2.649 -1.856 -15.333 152 QG PRO 13 QG PRO 13 -3.770 -3.334 -13.935 153 QD PRO 13 QD PRO 13 -2.671 -2.831 -11.958 154 H CYS 14 HN CYS 14 -5.023 -0.368 -12.384 155 HA CYS 14 HA CYS 14 -6.455 0.895 -14.544 156 1HB CYS 14 2HB CYS 14 -7.051 -0.331 -11.912 157 2HB CYS 14 3HB CYS 14 -8.168 0.885 -12.445 158 QB CYS 14 QB CYS 14 -7.609 0.277 -12.179 159 H LYS 15 HN LYS 15 -7.878 2.790 -14.033 160 HA LYS 15 HA LYS 15 -6.237 4.980 -12.809 161 1HB LYS 15 2HB LYS 15 -7.352 4.634 -15.575 162 2HB LYS 15 3HB LYS 15 -7.544 6.221 -14.836 163 1HG LYS 15 2HG LYS 15 -5.566 6.253 -16.106 164 2HG LYS 15 3HG LYS 15 -5.178 6.417 -14.396 165 1HD LYS 15 2HD LYS 15 -5.064 3.597 -15.249 166 2HD LYS 15 3HD LYS 15 -4.102 4.571 -16.329 167 1HE LYS 15 2HE LYS 15 -3.809 4.553 -13.279 168 2HE LYS 15 3HE LYS 15 -2.813 3.631 -14.405 169 1HZ LYS 15 1HZ LYS 15 -2.073 5.707 -15.368 170 2HZ LYS 15 2HZ LYS 15 -2.985 6.571 -14.305 171 3HZ LYS 15 3HZ LYS 15 -1.742 5.649 -13.759 172 QB LYS 15 QB LYS 15 -7.448 5.427 -15.206 173 QG LYS 15 QG LYS 15 -5.372 6.335 -15.251 174 QD LYS 15 QD LYS 15 -4.583 4.084 -15.789 175 QE LYS 15 QE LYS 15 -3.311 4.092 -13.842 176 QZ LYS 15 QZ LYS 15 -2.267 5.976 -14.477 177 NH1 ARG 16 NH2 ARG 16 -14.262 0.463 -9.258 178 NH2 ARG 16 NH1 ARG 16 -12.549 -1.089 -9.445 179 H ARG 16 HN ARG 16 -7.729 3.761 -11.225 180 HA ARG 16 HA ARG 16 -10.111 5.480 -10.782 181 1HB ARG 16 2HB ARG 16 -9.654 2.558 -10.392 182 2HB ARG 16 3HB ARG 16 -10.536 3.377 -9.096 183 1HG ARG 16 2HG ARG 16 -11.967 4.330 -11.150 184 2HG ARG 16 3HG ARG 16 -11.327 2.894 -11.963 185 1HD ARG 16 2HD ARG 16 -12.891 3.038 -9.337 186 2HD ARG 16 3HD ARG 16 -13.483 2.451 -10.909 187 HE ARG 16 HE ARG 16 -11.141 0.982 -9.904 188 1HH1 ARG 16 2HH2 ARG 16 -14.569 1.423 -9.290 189 2HH1 ARG 16 1HH2 ARG 16 -14.928 -0.243 -8.981 190 1HH2 ARG 16 2HH1 ARG 16 -11.593 -1.309 -9.686 191 2HH2 ARG 16 1HH1 ARG 16 -13.169 -1.842 -9.185 192 QB ARG 16 QB ARG 16 -10.095 2.968 -9.744 193 QG ARG 16 QG ARG 16 -11.647 3.612 -11.557 194 QD ARG 16 QD ARG 16 -13.187 2.745 -10.123 195 QH1 ARG 16 QH2 ARG 16 -14.748 0.590 -9.136 196 QH2 ARG 16 QH1 ARG 16 -12.381 -1.575 -9.436 197 H LYS 17 HN LYS 17 -10.579 5.547 -8.349 198 HA LYS 17 HA LYS 17 -8.099 6.453 -6.975 199 1HB LYS 17 2HB LYS 17 -9.207 8.083 -8.532 200 2HB LYS 17 3HB LYS 17 -10.652 8.041 -7.539 201 1HG LYS 17 2HG LYS 17 -7.897 8.898 -6.537 202 2HG LYS 17 3HG LYS 17 -9.036 9.989 -7.320 203 1HD LYS 17 2HD LYS 17 -10.769 9.417 -5.602 204 2HD LYS 17 3HD LYS 17 -9.539 8.529 -4.692 205 1HE LYS 17 2HE LYS 17 -9.269 11.487 -5.424 206 2HE LYS 17 3HE LYS 17 -10.017 10.894 -3.931 207 1HZ LYS 17 1HZ LYS 17 -7.863 9.653 -3.578 208 2HZ LYS 17 2HZ LYS 17 -7.197 10.476 -4.728 209 3HZ LYS 17 3HZ LYS 17 -7.759 11.308 -3.416 210 QB LYS 17 QB LYS 17 -9.930 8.062 -8.036 211 QG LYS 17 QG LYS 17 -8.467 9.443 -6.929 212 QD LYS 17 QD LYS 17 -10.154 8.973 -5.147 213 QE LYS 17 QE LYS 17 -9.643 11.191 -4.677 214 QZ LYS 17 QZ LYS 17 -7.606 10.479 -3.907 215 H ILE 18 HN ILE 18 -8.547 4.456 -5.667 216 HA ILE 18 HA ILE 18 -10.823 4.738 -3.751 217 HB ILE 18 HB ILE 18 -9.147 2.344 -4.522 218 1HG1 ILE 18 2HG1 ILE 18 -12.130 2.455 -4.911 219 2HG1 ILE 18 3HG1 ILE 18 -11.144 3.357 -6.063 220 1HG2 ILE 18 2HG2 ILE 18 -11.439 2.590 -2.542 221 2HG2 ILE 18 3HG2 ILE 18 -10.790 1.054 -3.151 222 3HG2 ILE 18 1HG2 ILE 18 -9.762 2.118 -2.191 223 1HD1 ILE 18 3HD1 ILE 18 -10.723 0.410 -5.429 224 2HD1 ILE 18 1HD1 ILE 18 -11.514 1.076 -6.878 225 3HD1 ILE 18 2HD1 ILE 18 -9.803 1.415 -6.562 226 QG1 ILE 18 QG1 ILE 18 -11.637 2.906 -5.487 227 QG2 ILE 18 QG2 ILE 18 -10.664 1.921 -2.628 228 QD1 ILE 18 QD1 ILE 18 -10.680 0.967 -6.290 229 HA PRO 19 HA PRO 19 -7.232 6.142 -1.349 230 1HB PRO 19 2HB PRO 19 -8.478 6.639 1.080 231 2HB PRO 19 3HB PRO 19 -8.481 7.743 -0.324 232 1HG PRO 19 2HG PRO 19 -10.617 5.770 0.493 233 2HG PRO 19 3HG PRO 19 -10.830 7.466 -0.029 234 1HD PRO 19 2HD PRO 19 -11.211 5.377 -1.703 235 2HD PRO 19 3HD PRO 19 -10.463 6.887 -2.311 236 QB PRO 19 QB PRO 19 -8.480 7.191 0.378 237 QG PRO 19 QG PRO 19 -10.724 6.618 0.232 238 QD PRO 19 QD PRO 19 -10.837 6.132 -2.007 239 H SER 20 HN SER 20 -5.712 4.789 -0.470 240 HA SER 20 HA SER 20 -6.486 2.837 1.590 241 1HB SER 20 2HB SER 20 -4.667 1.927 -0.677 242 2HB SER 20 3HB SER 20 -5.371 0.969 0.625 243 HG SER 20 HG SER 20 -6.875 2.239 -1.396 244 QB SER 20 QB SER 20 -5.019 1.448 -0.026 245 H PHE 21 HN PHE 21 -4.252 1.790 2.313 246 HA PHE 21 HA PHE 21 -2.078 3.837 2.347 247 1HB PHE 21 2HB PHE 21 -2.999 1.973 4.571 248 2HB PHE 21 3HB PHE 21 -1.548 2.961 4.622 249 HD1 PHE 21 2HD PHE 21 -5.272 3.046 4.588 250 HD2 PHE 21 1HD PHE 21 -1.667 5.355 5.055 251 HE1 PHE 21 2HE PHE 21 -6.588 4.902 5.557 252 HE2 PHE 21 1HE PHE 21 -2.978 7.191 6.092 253 HZ PHE 21 HZ PHE 21 -5.443 6.982 6.311 254 QB PHE 21 QB PHE 21 -2.273 2.467 4.597 255 QR PHE 21 QR PHE 21 -4.126 5.124 5.323 256 OH TYR 22 OH TYR 22 4.482 5.223 -1.602 257 H TYR 22 HN TYR 22 0.047 2.983 2.111 258 HA TYR 22 HA TYR 22 0.355 0.051 1.892 259 1HB TYR 22 2HB TYR 22 1.508 0.159 -0.107 260 2HB TYR 22 3HB TYR 22 0.091 1.104 -0.467 261 HD1 TYR 22 HD2 TYR 22 0.545 3.793 0.113 262 HD2 TYR 22 HD1 TYR 22 3.528 0.840 -0.898 263 HE1 TYR 22 HE2 TYR 22 2.092 5.589 -0.575 264 HE2 TYR 22 HE1 TYR 22 5.032 2.626 -1.662 265 HH TYR 22 HH TYR 22 5.239 4.877 -2.075 266 QB TYR 22 QB TYR 22 0.799 0.631 -0.287 267 QR TYR 22 QR TYR 22 2.799 3.212 -0.756 268 OH TYR 23 OH TYR 23 8.787 -0.050 7.706 269 H TYR 23 HN TYR 23 2.733 -0.488 2.052 270 HA TYR 23 HA TYR 23 4.113 1.440 3.846 271 1HB TYR 23 2HB TYR 23 3.817 -0.999 4.436 272 2HB TYR 23 3HB TYR 23 4.986 -1.362 3.179 273 HD1 TYR 23 HD1 TYR 23 7.355 -0.590 3.421 274 HD2 TYR 23 HD2 TYR 23 4.455 -0.102 6.530 275 HE1 TYR 23 HE1 TYR 23 9.140 -0.600 5.137 276 HE2 TYR 23 HE2 TYR 23 6.244 0.395 8.153 277 HH TYR 23 HH TYR 23 8.881 0.828 8.099 278 QB TYR 23 QB TYR 23 4.401 -1.180 3.807 279 QR TYR 23 QR TYR 23 6.798 -0.224 5.810 280 H LYS 24 HN LYS 24 5.320 2.997 2.769 281 HA LYS 24 HA LYS 24 6.576 2.233 0.203 282 1HB LYS 24 2HB LYS 24 5.616 4.515 0.702 283 2HB LYS 24 3HB LYS 24 6.993 4.807 1.766 284 1HG LYS 24 2HG LYS 24 8.535 4.356 -0.155 285 2HG LYS 24 3HG LYS 24 7.153 3.975 -1.176 286 1HD LYS 24 2HD LYS 24 7.392 6.140 -1.853 287 2HD LYS 24 3HD LYS 24 6.360 6.427 -0.458 288 1HE LYS 24 2HE LYS 24 8.826 6.496 0.733 289 2HE LYS 24 3HE LYS 24 9.274 7.016 -0.890 290 1HZ LYS 24 2HZ LYS 24 7.537 8.748 -0.662 291 2HZ LYS 24 3HZ LYS 24 7.310 8.290 0.902 292 3HZ LYS 24 1HZ LYS 24 8.757 8.900 0.429 293 QB LYS 24 QB LYS 24 6.305 4.661 1.234 294 QG LYS 24 QG LYS 24 7.844 4.166 -0.666 295 QD LYS 24 QD LYS 24 6.876 6.284 -1.155 296 QE LYS 24 QE LYS 24 9.050 6.756 -0.078 297 QZ LYS 24 QZ LYS 24 7.868 8.646 0.223 298 CH2 TRP 25 CH2 TRP 25 12.190 -4.571 4.847 299 H TRP 25 HN TRP 25 7.827 0.441 0.972 300 HA TRP 25 HA TRP 25 9.688 0.448 3.036 301 1HB TRP 25 2HB TRP 25 9.088 -1.470 1.704 302 2HB TRP 25 3HB TRP 25 9.993 -0.853 0.318 303 HD1 TRP 25 HD1 TRP 25 12.688 -0.815 0.579 304 HE1 TRP 25 HE1 TRP 25 14.303 -2.277 1.885 305 HE3 TRP 25 HE3 TRP 25 9.343 -3.138 3.635 306 HZ2 TRP 25 HZ2 TRP 25 14.168 -4.222 4.042 307 HZ3 TRP 25 HZ3 TRP 25 10.100 -4.744 5.366 308 HH2 TRP 25 HH2 TRP 25 12.516 -5.299 5.576 309 QB TRP 25 QB TRP 25 9.541 -1.162 1.011 310 H LYS 26 HN LYS 26 9.932 2.145 -0.016 311 HA LYS 26 HA LYS 26 12.716 2.720 0.023 312 1HB LYS 26 2HB LYS 26 11.057 2.948 -1.878 313 2HB LYS 26 3HB LYS 26 10.509 4.460 -1.140 314 1HG LYS 26 2HG LYS 26 12.781 5.409 -1.389 315 2HG LYS 26 3HG LYS 26 13.355 3.866 -2.053 316 1HD LYS 26 2HD LYS 26 11.736 4.051 -3.924 317 2HD LYS 26 3HD LYS 26 11.150 5.597 -3.274 318 1HE LYS 26 2HE LYS 26 13.424 6.581 -3.574 319 2HE LYS 26 3HE LYS 26 14.013 5.035 -4.204 320 1HZ LYS 26 2HZ LYS 26 12.479 5.266 -6.042 321 2HZ LYS 26 3HZ LYS 26 11.938 6.710 -5.463 322 3HZ LYS 26 1HZ LYS 26 13.494 6.553 -5.961 323 QB LYS 26 QB LYS 26 10.783 3.704 -1.509 324 QG LYS 26 QG LYS 26 13.068 4.637 -1.721 325 QD LYS 26 QD LYS 26 11.443 4.824 -3.599 326 QE LYS 26 QE LYS 26 13.719 5.808 -3.889 327 QZ LYS 26 QZ LYS 26 12.637 6.177 -5.822 328 H ALA 27 HN ALA 27 10.011 4.080 1.841 329 HA ALA 27 HA ALA 27 11.813 6.057 3.189 330 1HB ALA 27 1HB ALA 27 8.784 5.765 3.126 331 2HB ALA 27 2HB ALA 27 9.648 6.786 4.284 332 3HB ALA 27 3HB ALA 27 9.779 7.147 2.563 333 QB ALA 27 QB ALA 27 9.404 6.566 3.324 334 H LYS 28 HN LYS 28 10.331 2.933 3.444 335 HA LYS 28 HA LYS 28 10.300 1.404 5.079 336 1HB LYS 28 2HB LYS 28 12.600 3.054 5.821 337 2HB LYS 28 3HB LYS 28 11.822 2.453 7.265 338 1HG LYS 28 2HG LYS 28 12.440 0.623 4.915 339 2HG LYS 28 3HG LYS 28 13.703 1.096 6.073 340 1HD LYS 28 2HD LYS 28 12.504 0.198 7.965 341 2HD LYS 28 3HD LYS 28 11.032 0.051 7.025 342 1HE LYS 28 2HE LYS 28 11.890 -2.148 7.380 343 2HE LYS 28 3HE LYS 28 11.969 -1.739 5.663 344 1HZ LYS 28 2HZ LYS 28 14.233 -1.625 7.554 345 2HZ LYS 28 3HZ LYS 28 13.972 -2.813 6.448 346 3HZ LYS 28 1HZ LYS 28 14.312 -1.285 5.944 347 QB LYS 28 QB LYS 28 12.211 2.754 6.543 348 QG LYS 28 QG LYS 28 13.072 0.860 5.494 349 QD LYS 28 QD LYS 28 11.768 0.125 7.495 350 QE LYS 28 QE LYS 28 11.929 -1.944 6.522 351 QZ LYS 28 QZ LYS 28 14.172 -1.907 6.649 352 H GLN 29 HN GLN 29 8.184 3.418 4.775 353 HA GLN 29 HA GLN 29 6.970 2.875 7.341 354 1HB GLN 29 2HB GLN 29 8.240 5.360 7.127 355 2HB GLN 29 3HB GLN 29 6.593 5.737 6.636 356 1HG GLN 29 2HG GLN 29 6.292 4.104 8.947 357 2HG GLN 29 3HG GLN 29 7.722 5.074 9.278 358 1HE2 GLN 29 2HE2 GLN 29 5.728 8.194 9.007 359 2HE2 GLN 29 1HE2 GLN 29 7.197 7.543 8.311 360 QB GLN 29 QB GLN 29 7.417 5.549 6.882 361 QG GLN 29 QG GLN 29 7.007 4.589 9.113 362 QE2 GLN 29 QE2 GLN 29 6.462 7.868 8.659 363 H CYS 30 HN CYS 30 4.702 3.740 7.436 364 HA CYS 30 HA CYS 30 3.208 2.802 5.099 365 1HB CYS 30 2HB CYS 30 2.402 3.790 7.832 366 2HB CYS 30 3HB CYS 30 1.291 3.118 6.626 367 QB CYS 30 QB CYS 30 1.847 3.454 7.229 368 H LEU 31 HN LEU 31 2.034 4.124 3.690 369 HA LEU 31 HA LEU 31 1.512 6.905 4.505 370 1HB LEU 31 2HB LEU 31 2.808 6.100 1.860 371 2HB LEU 31 3HB LEU 31 2.405 7.739 2.350 372 HG LEU 31 HG LEU 31 4.566 5.956 3.594 373 1HD1 LEU 31 3HD1 LEU 31 5.072 6.673 1.333 374 2HD1 LEU 31 1HD1 LEU 31 4.795 8.371 1.765 375 3HD1 LEU 31 2HD1 LEU 31 6.138 7.468 2.519 376 1HD2 LEU 31 2HD2 LEU 31 3.418 7.951 5.021 377 2HD2 LEU 31 3HD2 LEU 31 5.151 7.573 5.065 378 3HD2 LEU 31 1HD2 LEU 31 4.547 8.910 4.059 379 QB LEU 31 QB LEU 31 2.607 6.919 2.105 380 QD1 LEU 31 QD1 LEU 31 5.335 7.504 1.872 381 QD2 LEU 31 QD2 LEU 31 4.372 8.145 4.715 382 QQD LEU 31 QQD LEU 31 4.854 7.824 3.294 383 HA PRO 32 HA PRO 32 -2.321 6.014 2.408 384 1HB PRO 32 2HB PRO 32 -3.272 8.505 1.899 385 2HB PRO 32 3HB PRO 32 -3.159 7.853 3.553 386 1HG PRO 32 2HG PRO 32 -1.161 9.642 2.136 387 2HG PRO 32 3HG PRO 32 -1.876 9.884 3.758 388 1HD PRO 32 2HD PRO 32 0.561 8.743 3.433 389 2HD PRO 32 3HD PRO 32 -0.563 8.132 4.681 390 QB PRO 32 QB PRO 32 -3.215 8.179 2.726 391 QG PRO 32 QG PRO 32 -1.518 9.763 2.947 392 QD PRO 32 QD PRO 32 -0.001 8.438 4.057 393 H PHE 33 HN PHE 33 -3.257 6.116 0.230 394 HA PHE 33 HA PHE 33 -2.152 7.759 -1.819 395 1HB PHE 33 2HB PHE 33 -1.077 6.213 -3.199 396 2HB PHE 33 3HB PHE 33 -0.369 5.908 -1.631 397 HD1 PHE 33 2HD PHE 33 -1.873 4.040 -0.190 398 HD2 PHE 33 1HD PHE 33 -1.606 4.320 -4.485 399 HE1 PHE 33 2HE PHE 33 -2.210 1.594 -0.393 400 HE2 PHE 33 1HE PHE 33 -1.701 1.845 -4.632 401 HZ PHE 33 HZ PHE 33 -1.906 0.490 -2.585 402 QB PHE 33 QB PHE 33 -0.723 6.060 -2.415 403 QR PHE 33 QR PHE 33 -1.847 2.950 -2.425 404 H ASP 34 HN ASP 34 -3.105 6.734 -4.072 405 HA ASP 34 HA ASP 34 -5.934 5.961 -3.540 406 1HB ASP 34 2HB ASP 34 -4.532 7.503 -5.767 407 2HB ASP 34 3HB ASP 34 -6.095 6.727 -5.994 408 QB ASP 34 QB ASP 34 -5.313 7.115 -5.880 409 OH TYR 35 OH TYR 35 -5.045 -3.904 -6.065 410 H TYR 35 HN TYR 35 -6.344 3.906 -3.983 411 HA TYR 35 HA TYR 35 -4.514 2.356 -5.716 412 1HB TYR 35 2HB TYR 35 -4.970 1.451 -3.464 413 2HB TYR 35 3HB TYR 35 -6.707 1.485 -3.787 414 HD1 TYR 35 HD1 TYR 35 -3.628 0.321 -5.631 415 HD2 TYR 35 HD2 TYR 35 -7.544 -0.730 -4.149 416 HE1 TYR 35 HE1 TYR 35 -3.540 -1.759 -6.867 417 HE2 TYR 35 HE2 TYR 35 -7.110 -3.086 -4.994 418 HH TYR 35 HH TYR 35 -5.285 -4.293 -6.917 419 QB TYR 35 QB TYR 35 -5.839 1.468 -3.625 420 QR TYR 35 QR TYR 35 -5.456 -1.313 -5.410 421 H SER 36 HN SER 36 -5.359 1.152 -7.470 422 HA SER 36 HA SER 36 -7.557 2.524 -8.778 423 1HB SER 36 2HB SER 36 -6.866 1.344 -10.652 424 2HB SER 36 3HB SER 36 -5.416 1.925 -9.854 425 HG SER 36 HG SER 36 -4.936 -0.073 -9.137 426 QB SER 36 QB SER 36 -6.141 1.635 -10.253 427 H GLY 37 HN GLY 37 -7.144 -0.603 -7.215 428 1HA GLY 37 1HA GLY 37 -9.050 -1.918 -6.506 429 2HA GLY 37 2HA GLY 37 -9.919 -1.387 -7.940 430 QA GLY 37 QA GLY 37 -9.485 -1.653 -7.223 431 H CYS 38 HN CYS 38 -7.245 -1.756 -9.515 432 HA CYS 38 HA CYS 38 -7.977 -4.536 -10.288 433 1HB CYS 38 2HB CYS 38 -6.388 -2.431 -11.749 434 2HB CYS 38 3HB CYS 38 -6.944 -3.966 -12.427 435 QB CYS 38 QB CYS 38 -6.666 -3.198 -12.088 436 H GLY 39 HN GLY 39 -5.111 -4.441 -11.600 437 1HA GLY 39 1HA GLY 39 -3.945 -6.486 -10.504 438 2HA GLY 39 2HA GLY 39 -2.964 -5.118 -11.043 439 QA GLY 39 QA GLY 39 -3.454 -5.802 -10.774 440 H GLY 40 HN GLY 40 -2.717 -3.348 -9.346 441 1HA GLY 40 1HA GLY 40 -1.628 -2.748 -7.391 442 2HA GLY 40 2HA GLY 40 -2.852 -3.757 -6.587 443 QA GLY 40 QA GLY 40 -2.240 -3.252 -6.989 444 H ASN 41 HN ASN 41 -1.479 -4.424 -4.977 445 HA ASN 41 HA ASN 41 -0.260 -6.957 -5.561 446 1HB ASN 41 2HB ASN 41 1.819 -6.429 -4.477 447 2HB ASN 41 3HB ASN 41 1.652 -5.442 -5.899 448 1HD2 ASN 41 2HD2 ASN 41 2.675 -2.720 -3.856 449 2HD2 ASN 41 1HD2 ASN 41 3.070 -3.870 -5.124 450 QB ASN 41 QB ASN 41 1.736 -5.936 -5.188 451 QD2 ASN 41 QD2 ASN 41 2.873 -3.295 -4.490 452 H ALA 42 HN ALA 42 0.933 -7.160 -2.943 453 HA ALA 42 HA ALA 42 -1.535 -7.355 -1.298 454 1HB ALA 42 2HB ALA 42 1.258 -8.510 -0.961 455 2HB ALA 42 3HB ALA 42 -0.108 -8.801 0.132 456 3HB ALA 42 1HB ALA 42 -0.175 -9.365 -1.550 457 QB ALA 42 QB ALA 42 0.325 -8.892 -0.793 458 H ASN 43 HN ASN 43 0.966 -5.068 -1.644 459 HA ASN 43 HA ASN 43 1.302 -4.476 1.215 460 1HB ASN 43 2HB ASN 43 3.121 -4.289 -0.581 461 2HB ASN 43 3HB ASN 43 2.269 -2.883 -1.204 462 1HD2 ASN 43 2HD2 ASN 43 4.786 -1.382 0.981 463 2HD2 ASN 43 1HD2 ASN 43 4.703 -2.172 -0.551 464 QB ASN 43 QB ASN 43 2.695 -3.586 -0.892 465 QD2 ASN 43 QD2 ASN 43 4.745 -1.777 0.215 466 NH1 ARG 44 NH2 ARG 44 -6.186 -3.702 -1.888 467 NH2 ARG 44 NH1 ARG 44 -4.856 -5.079 -3.207 468 H ARG 44 HN ARG 44 -1.260 -4.286 1.188 469 HA ARG 44 HA ARG 44 -1.926 -1.408 0.835 470 1HB ARG 44 2HB ARG 44 -2.186 -2.484 -1.351 471 2HB ARG 44 3HB ARG 44 -3.367 -3.604 -0.632 472 1HG ARG 44 2HG ARG 44 -4.914 -1.716 -0.207 473 2HG ARG 44 3HG ARG 44 -3.642 -0.551 -0.549 474 1HD ARG 44 2HD ARG 44 -5.391 -1.047 -2.400 475 2HD ARG 44 3HD ARG 44 -3.694 -0.867 -2.819 476 HE ARG 44 HE ARG 44 -3.579 -2.958 -3.611 477 1HH1 ARG 44 2HH2 ARG 44 -6.336 -2.786 -1.494 478 2HH1 ARG 44 1HH2 ARG 44 -6.799 -4.462 -1.638 479 1HH2 ARG 44 2HH1 ARG 44 -3.982 -5.243 -3.699 480 2HH2 ARG 44 1HH1 ARG 44 -5.479 -5.861 -3.082 481 QB ARG 44 QB ARG 44 -2.777 -3.044 -0.992 482 QG ARG 44 QG ARG 44 -4.278 -1.134 -0.378 483 QD ARG 44 QD ARG 44 -4.542 -0.957 -2.609 484 QH1 ARG 44 QH2 ARG 44 -6.568 -3.624 -1.566 485 QH2 ARG 44 QH1 ARG 44 -4.730 -5.552 -3.390 486 H PHE 45 HN PHE 45 -3.265 -0.725 2.325 487 HA PHE 45 HA PHE 45 -4.862 -2.567 4.089 488 1HB PHE 45 2HB PHE 45 -2.998 -0.331 4.914 489 2HB PHE 45 3HB PHE 45 -3.908 -1.425 5.938 490 HD1 PHE 45 2HD PHE 45 -3.287 -3.902 5.952 491 HD2 PHE 45 1HD PHE 45 -0.947 -1.035 3.763 492 HE1 PHE 45 2HE PHE 45 -1.383 -5.488 5.920 493 HE2 PHE 45 1HE PHE 45 0.913 -2.660 3.622 494 HZ PHE 45 HZ PHE 45 0.702 -4.871 4.707 495 QB PHE 45 QB PHE 45 -3.453 -0.878 5.426 496 QR PHE 45 QR PHE 45 -1.176 -3.272 4.814 497 H LYS 46 HN LYS 46 -6.589 -1.557 5.121 498 HA LYS 46 HA LYS 46 -7.639 0.834 3.679 499 1HB LYS 46 2HB LYS 46 -8.885 -1.065 5.700 500 2HB LYS 46 3HB LYS 46 -9.678 0.376 5.027 501 1HG LYS 46 2HG LYS 46 -9.439 -0.508 2.745 502 2HG LYS 46 3HG LYS 46 -8.593 -1.938 3.380 503 1HD LYS 46 2HD LYS 46 -10.640 -2.553 4.684 504 2HD LYS 46 3HD LYS 46 -11.455 -1.110 4.074 505 1HE LYS 46 2HE LYS 46 -12.191 -3.073 2.814 506 2HE LYS 46 3HE LYS 46 -11.329 -1.947 1.757 507 1HZ LYS 46 3HZ LYS 46 -10.178 -4.383 2.964 508 2HZ LYS 46 1HZ LYS 46 -10.662 -4.223 1.400 509 3HZ LYS 46 2HZ LYS 46 -9.390 -3.347 1.959 510 QB LYS 46 QB LYS 46 -9.281 -0.345 5.364 511 QG LYS 46 QG LYS 46 -9.016 -1.223 3.062 512 QD LYS 46 QD LYS 46 -11.048 -1.832 4.379 513 QE LYS 46 QE LYS 46 -11.760 -2.510 2.286 514 QZ LYS 46 QZ LYS 46 -10.077 -3.984 2.108 515 H THR 47 HN THR 47 -6.063 -0.207 6.653 516 HA THR 47 HA THR 47 -6.348 2.588 7.710 517 HB THR 47 HB THR 47 -6.216 1.685 9.904 518 HG1 THR 47 1HG THR 47 -5.899 -0.809 8.599 519 1HG2 THR 47 2HG2 THR 47 -8.190 -0.038 8.321 520 2HG2 THR 47 3HG2 THR 47 -8.193 0.225 10.073 521 3HG2 THR 47 1HG2 THR 47 -8.502 1.591 8.978 522 QG2 THR 47 QG2 THR 47 -8.295 0.593 9.124 523 H ILE 48 HN ILE 48 -4.612 3.506 8.682 524 HA ILE 48 HA ILE 48 -1.951 2.718 7.876 525 HB ILE 48 HB ILE 48 -2.815 5.104 8.519 526 1HG1 ILE 48 2HG1 ILE 48 -0.548 5.651 9.688 527 2HG1 ILE 48 3HG1 ILE 48 -0.149 3.951 9.413 528 1HG2 ILE 48 2HG2 ILE 48 -3.734 4.380 10.762 529 2HG2 ILE 48 3HG2 ILE 48 -2.051 4.189 11.321 530 3HG2 ILE 48 1HG2 ILE 48 -2.641 5.777 10.814 531 1HD1 ILE 48 2HD1 ILE 48 -0.597 4.324 6.960 532 2HD1 ILE 48 3HD1 ILE 48 -0.935 6.031 7.325 533 3HD1 ILE 48 1HD1 ILE 48 0.684 5.383 7.595 534 QG1 ILE 48 QG1 ILE 48 -0.349 4.801 9.551 535 QG2 ILE 48 QG2 ILE 48 -2.809 4.782 10.965 536 QD1 ILE 48 QD1 ILE 48 -0.283 5.246 7.293 537 H GLU 49 HN GLU 49 -4.003 2.009 10.737 538 HA GLU 49 HA GLU 49 -1.740 1.076 12.228 539 1HB GLU 49 2HB GLU 49 -3.352 0.075 13.759 540 2HB GLU 49 3HB GLU 49 -3.671 1.787 13.478 541 1HG GLU 49 2HG GLU 49 -5.591 1.289 12.099 542 2HG GLU 49 3HG GLU 49 -5.200 -0.442 12.056 543 QB GLU 49 QB GLU 49 -3.511 0.931 13.619 544 QG GLU 49 QG GLU 49 -5.396 0.423 12.077 545 H GLU 50 HN GLU 50 -4.032 -0.611 10.007 546 HA GLU 50 HA GLU 50 -3.010 -3.239 10.568 547 1HB GLU 50 2HB GLU 50 -3.955 -1.953 7.998 548 2HB GLU 50 3HB GLU 50 -3.586 -3.680 8.135 549 1HG GLU 50 2HG GLU 50 -5.479 -4.179 9.364 550 2HG GLU 50 3HG GLU 50 -5.750 -2.526 9.886 551 QB GLU 50 QB GLU 50 -3.771 -2.816 8.067 552 QG GLU 50 QG GLU 50 -5.615 -3.353 9.625 553 H CYS 51 HN CYS 51 -1.973 -0.728 8.214 554 HA CYS 51 HA CYS 51 0.197 -2.182 7.119 555 1HB CYS 51 2HB CYS 51 -0.645 -0.162 6.049 556 2HB CYS 51 3HB CYS 51 -0.178 0.831 7.419 557 QB CYS 51 QB CYS 51 -0.411 0.335 6.734 558 NH1 ARG 52 NH2 ARG 52 2.520 5.585 13.914 559 NH2 ARG 52 NH1 ARG 52 3.189 6.113 11.763 560 H ARG 52 HN ARG 52 0.240 0.287 9.744 561 HA ARG 52 HA ARG 52 2.967 0.081 10.324 562 1HB ARG 52 2HB ARG 52 1.350 1.845 11.039 563 2HB ARG 52 3HB ARG 52 0.711 0.737 12.263 564 1HG ARG 52 2HG ARG 52 2.817 0.691 13.426 565 2HG ARG 52 3HG ARG 52 3.668 1.502 12.099 566 1HD ARG 52 2HD ARG 52 1.404 2.811 13.656 567 2HD ARG 52 3HD ARG 52 3.123 2.922 14.107 568 HE ARG 52 HE ARG 52 2.634 3.671 11.332 569 1HH1 ARG 52 2HH2 ARG 52 2.187 4.899 14.575 570 2HH1 ARG 52 1HH2 ARG 52 2.640 6.538 14.221 571 1HH2 ARG 52 2HH1 ARG 52 3.573 5.844 10.854 572 2HH2 ARG 52 1HH1 ARG 52 3.258 7.089 12.005 573 QB ARG 52 QB ARG 52 1.030 1.291 11.651 574 QG ARG 52 QG ARG 52 3.242 1.096 12.763 575 QD ARG 52 QD ARG 52 2.263 2.867 13.881 576 QH1 ARG 52 QH2 ARG 52 2.414 5.718 14.398 577 QH2 ARG 52 QH1 ARG 52 3.415 6.467 11.430 578 NH1 ARG 53 NH2 ARG 53 0.294 -2.678 17.939 579 NH2 ARG 53 NH1 ARG 53 -1.999 -2.388 17.886 580 H ARG 53 HN ARG 53 0.182 -1.802 11.664 581 HA ARG 53 HA ARG 53 1.828 -3.239 13.496 582 1HB ARG 53 2HB ARG 53 -0.745 -2.921 13.529 583 2HB ARG 53 3HB ARG 53 -0.811 -4.171 12.277 584 1HG ARG 53 2HG ARG 53 -1.188 -5.343 14.302 585 2HG ARG 53 3HG ARG 53 0.513 -5.658 13.956 586 1HD ARG 53 2HD ARG 53 0.473 -5.063 16.252 587 2HD ARG 53 3HD ARG 53 1.032 -3.608 15.433 588 HE ARG 53 HE ARG 53 -1.810 -3.537 15.640 589 1HH1 ARG 53 2HH2 ARG 53 1.172 -2.870 17.437 590 2HH1 ARG 53 1HH2 ARG 53 0.382 -2.213 18.825 591 1HH2 ARG 53 2HH1 ARG 53 -2.891 -2.490 17.423 592 2HH2 ARG 53 1HH1 ARG 53 -1.969 -1.917 18.777 593 QB ARG 53 QB ARG 53 -0.778 -3.546 12.903 594 QG ARG 53 QG ARG 53 -0.338 -5.501 14.129 595 QD ARG 53 QD ARG 53 0.752 -4.335 15.842 596 QH1 ARG 53 QH2 ARG 53 0.777 -2.542 18.131 597 QH2 ARG 53 QH1 ARG 53 -2.430 -2.204 18.100 598 H THR 54 HN THR 54 0.901 -3.833 10.121 599 HA THR 54 HA THR 54 1.795 -6.555 10.012 600 HB THR 54 HB THR 54 1.616 -4.400 7.852 601 HG1 THR 54 1HG THR 54 -0.349 -4.993 8.791 602 1HG2 THR 54 3HG2 THR 54 2.087 -7.404 7.653 603 2HG2 THR 54 1HG2 THR 54 1.543 -6.353 6.329 604 3HG2 THR 54 2HG2 THR 54 3.144 -6.103 7.039 605 QG2 THR 54 QG2 THR 54 2.258 -6.620 7.007 606 H CYS 55 HN CYS 55 3.416 -3.413 9.364 607 HA CYS 55 HA CYS 55 5.884 -4.946 8.806 608 1HB CYS 55 2HB CYS 55 4.837 -3.274 7.221 609 2HB CYS 55 3HB CYS 55 5.722 -2.080 8.176 610 QB CYS 55 QB CYS 55 5.280 -2.677 7.698 611 H VAL 56 HN VAL 56 4.933 -2.229 10.821 612 HA VAL 56 HA VAL 56 7.352 -2.305 12.505 613 HB VAL 56 HB VAL 56 4.930 -0.439 12.609 614 1HG1 VAL 56 3HG1 VAL 56 7.691 -0.263 13.815 615 2HG1 VAL 56 1HG1 VAL 56 6.764 1.198 13.435 616 3HG1 VAL 56 2HG1 VAL 56 6.101 0.059 14.569 617 1HG2 VAL 56 3HG2 VAL 56 7.479 -0.038 11.015 618 2HG2 VAL 56 1HG2 VAL 56 5.844 -0.254 10.343 619 3HG2 VAL 56 2HG2 VAL 56 6.213 1.184 11.270 620 QG1 VAL 56 QG1 VAL 56 6.852 0.331 13.939 621 QG2 VAL 56 QG2 VAL 56 6.512 0.297 10.876 622 QQG VAL 56 QQG VAL 56 6.682 0.314 12.408 623 H GLY 57 HN GLY 57 6.078 -1.707 14.972 624 1HA GLY 57 1HA GLY 57 4.589 -4.174 15.643 625 2HA GLY 57 2HA GLY 57 5.358 -3.042 16.745 626 QA GLY 57 QA GLY 57 4.973 -3.608 16.194 Start of MODEL 9 Raw file had 626 H/Q atoms Start of MODEL 9 1 H ALA 1 HN ALA 1 9.835 -7.936 8.781 2 HA ALA 1 HA ALA 1 7.160 -6.698 8.753 3 1HB ALA 1 3HB ALA 1 8.864 -4.948 8.282 4 2HB ALA 1 1HB ALA 1 9.518 -5.948 6.964 5 3HB ALA 1 2HB ALA 1 7.874 -5.290 6.852 6 QB ALA 1 QB ALA 1 8.752 -5.395 7.366 7 H ALA 2 HN ALA 2 6.006 -7.102 6.642 8 HA ALA 2 HA ALA 2 6.279 -9.897 5.886 9 1HB ALA 2 2HB ALA 2 4.099 -8.675 6.222 10 2HB ALA 2 3HB ALA 2 4.446 -7.759 4.737 11 3HB ALA 2 1HB ALA 2 4.238 -9.524 4.671 12 QB ALA 2 QB ALA 2 4.261 -8.653 5.210 13 H LYS 3 HN LYS 3 6.200 -10.550 3.445 14 HA LYS 3 HA LYS 3 8.699 -9.495 2.441 15 1HB LYS 3 2HB LYS 3 6.935 -11.731 1.646 16 2HB LYS 3 3HB LYS 3 7.621 -10.888 0.273 17 1HG LYS 3 2HG LYS 3 9.091 -12.652 0.785 18 2HG LYS 3 3HG LYS 3 9.946 -11.149 1.206 19 1HD LYS 3 2HD LYS 3 9.699 -11.573 3.567 20 2HD LYS 3 3HD LYS 3 8.191 -12.416 3.328 21 1HE LYS 3 2HE LYS 3 9.549 -14.066 4.128 22 2HE LYS 3 3HE LYS 3 9.402 -14.410 2.407 23 1HZ LYS 3 2HZ LYS 3 11.691 -13.118 3.754 24 2HZ LYS 3 3HZ LYS 3 11.636 -14.661 3.208 25 3HZ LYS 3 1HZ LYS 3 11.599 -13.420 2.131 26 QB LYS 3 QB LYS 3 7.278 -11.310 0.959 27 QG LYS 3 QG LYS 3 9.519 -11.901 0.996 28 QD LYS 3 QD LYS 3 8.945 -11.994 3.447 29 QE LYS 3 QE LYS 3 9.475 -14.238 3.268 30 QZ LYS 3 QZ LYS 3 11.642 -13.733 3.031 31 OH TYR 4 OH TYR 4 0.832 -8.018 5.020 32 H TYR 4 HN TYR 4 5.346 -9.394 1.447 33 HA TYR 4 HA TYR 4 5.630 -7.757 -0.805 34 1HB TYR 4 2HB TYR 4 3.246 -7.305 -0.534 35 2HB TYR 4 3HB TYR 4 3.632 -9.017 -0.355 36 HD1 TYR 4 HD2 TYR 4 2.943 -5.893 1.619 37 HD2 TYR 4 HD1 TYR 4 2.777 -10.203 1.532 38 HE1 TYR 4 HE2 TYR 4 1.726 -5.888 3.754 39 HE2 TYR 4 HE1 TYR 4 1.445 -10.187 3.614 40 HH TYR 4 HH TYR 4 0.448 -8.867 5.253 41 QB TYR 4 QB TYR 4 3.439 -8.161 -0.445 42 QR TYR 4 QR TYR 4 2.223 -8.043 2.630 43 H CYS 5 HN CYS 5 5.985 -6.978 2.554 44 HA CYS 5 HA CYS 5 5.321 -4.229 2.433 45 1HB CYS 5 2HB CYS 5 5.910 -5.842 4.440 46 2HB CYS 5 3HB CYS 5 7.535 -5.165 4.258 47 QB CYS 5 QB CYS 5 6.722 -5.504 4.349 48 H LYS 6 HN LYS 6 8.069 -6.016 1.165 49 HA LYS 6 HA LYS 6 9.760 -3.704 0.739 50 1HB LYS 6 2HB LYS 6 9.838 -6.563 -0.197 51 2HB LYS 6 3HB LYS 6 10.670 -5.335 -1.125 52 1HG LYS 6 2HG LYS 6 12.296 -6.142 0.337 53 2HG LYS 6 3HG LYS 6 11.861 -4.537 0.867 54 1HD LYS 6 2HD LYS 6 11.953 -5.692 2.904 55 2HD LYS 6 3HD LYS 6 10.237 -5.690 2.551 56 1HE LYS 6 2HE LYS 6 10.782 -7.892 3.280 57 2HE LYS 6 3HE LYS 6 10.532 -8.016 1.533 58 1HZ LYS 6 3HZ LYS 6 13.160 -7.787 2.867 59 2HZ LYS 6 1HZ LYS 6 12.516 -9.180 2.285 60 3HZ LYS 6 2HZ LYS 6 12.919 -7.973 1.251 61 QB LYS 6 QB LYS 6 10.254 -5.949 -0.661 62 QG LYS 6 QG LYS 6 12.079 -5.340 0.602 63 QD LYS 6 QD LYS 6 11.095 -5.691 2.728 64 QE LYS 6 QE LYS 6 10.657 -7.954 2.407 65 QZ LYS 6 QZ LYS 6 12.865 -8.313 2.134 66 H LEU 7 HN LEU 7 6.889 -4.966 -0.919 67 HA LEU 7 HA LEU 7 7.660 -4.167 -3.528 68 1HB LEU 7 2HB LEU 7 4.896 -4.594 -2.345 69 2HB LEU 7 3HB LEU 7 5.269 -4.414 -4.050 70 HG LEU 7 HG LEU 7 6.603 -6.635 -2.502 71 1HD1 LEU 7 1HD1 LEU 7 3.910 -6.641 -2.470 72 2HD1 LEU 7 2HD1 LEU 7 4.160 -7.216 -4.135 73 3HD1 LEU 7 3HD1 LEU 7 4.839 -8.129 -2.818 74 1HD2 LEU 7 1HD2 LEU 7 5.746 -6.229 -5.401 75 2HD2 LEU 7 2HD2 LEU 7 7.417 -6.175 -4.776 76 3HD2 LEU 7 3HD2 LEU 7 6.486 -7.703 -4.757 77 QB LEU 7 QB LEU 7 5.083 -4.504 -3.198 78 QD1 LEU 7 QD1 LEU 7 4.303 -7.329 -3.141 79 QD2 LEU 7 QD2 LEU 7 6.550 -6.702 -4.978 80 QQD LEU 7 QQD LEU 7 5.426 -7.016 -4.059 81 HA PRO 8 HA PRO 8 7.088 0.174 -2.916 82 1HB PRO 8 2HB PRO 8 7.419 1.132 -5.447 83 2HB PRO 8 3HB PRO 8 8.687 0.173 -4.642 84 1HG PRO 8 2HG PRO 8 6.543 -0.856 -6.533 85 2HG PRO 8 3HG PRO 8 8.316 -1.040 -6.701 86 1HD PRO 8 2HD PRO 8 6.774 -2.967 -5.522 87 2HD PRO 8 3HD PRO 8 8.416 -2.571 -4.908 88 QB PRO 8 QB PRO 8 8.053 0.653 -5.044 89 QG PRO 8 QG PRO 8 7.430 -0.948 -6.617 90 QD PRO 8 QD PRO 8 7.595 -2.769 -5.215 91 H LEU 9 HN LEU 9 5.956 2.083 -4.361 92 HA LEU 9 HA LEU 9 3.203 1.908 -3.754 93 1HB LEU 9 2HB LEU 9 4.414 4.033 -3.759 94 2HB LEU 9 3HB LEU 9 4.692 3.917 -5.494 95 HG LEU 9 HG LEU 9 2.421 4.243 -6.030 96 1HD1 LEU 9 2HD1 LEU 9 1.743 3.602 -3.126 97 2HD1 LEU 9 3HD1 LEU 9 0.654 4.503 -4.167 98 3HD1 LEU 9 1HD1 LEU 9 1.109 2.853 -4.586 99 1HD2 LEU 9 1HD2 LEU 9 3.596 6.276 -5.294 100 2HD2 LEU 9 2HD2 LEU 9 1.850 6.365 -5.003 101 3HD2 LEU 9 3HD2 LEU 9 2.950 6.051 -3.653 102 QB LEU 9 QB LEU 9 4.553 3.975 -4.627 103 QD1 LEU 9 QD1 LEU 9 1.168 3.653 -3.960 104 QD2 LEU 9 QD2 LEU 9 2.799 6.231 -4.650 105 QQD LEU 9 QQD LEU 9 1.984 4.942 -4.305 106 NH1 ARG 10 NH2 ARG 10 2.689 -2.373 -11.540 107 NH2 ARG 10 NH1 ARG 10 1.266 -0.579 -11.874 108 H ARG 10 HN ARG 10 2.166 0.341 -4.730 109 HA ARG 10 HA ARG 10 2.105 0.131 -7.697 110 1HB ARG 10 2HB ARG 10 2.789 -1.711 -6.215 111 2HB ARG 10 3HB ARG 10 1.185 -1.688 -5.457 112 1HG ARG 10 2HG ARG 10 1.318 -3.488 -7.048 113 2HG ARG 10 3HG ARG 10 0.188 -2.273 -7.636 114 1HD ARG 10 2HD ARG 10 3.065 -2.319 -8.598 115 2HD ARG 10 3HD ARG 10 1.874 -3.495 -9.204 116 HE ARG 10 HE ARG 10 0.739 -0.910 -9.423 117 1HH1 ARG 10 2HH2 ARG 10 3.104 -3.049 -10.918 118 2HH1 ARG 10 1HH2 ARG 10 2.948 -2.391 -12.516 119 1HH2 ARG 10 2HH1 ARG 10 0.630 0.119 -11.522 120 2HH2 ARG 10 1HH1 ARG 10 1.513 -0.545 -12.854 121 QB ARG 10 QB ARG 10 1.987 -1.699 -5.836 122 QG ARG 10 QG ARG 10 0.753 -2.880 -7.342 123 QD ARG 10 QD ARG 10 2.469 -2.907 -8.901 124 QH1 ARG 10 QH2 ARG 10 3.026 -2.720 -11.717 125 QH2 ARG 10 QH1 ARG 10 1.071 -0.213 -12.188 126 H ILE 11 HN ILE 11 0.773 2.056 -7.884 127 HA ILE 11 HA ILE 11 -1.838 2.214 -6.692 128 HB ILE 11 HB ILE 11 -0.758 3.569 -9.198 129 1HG1 ILE 11 2HG1 ILE 11 -1.184 4.694 -6.408 130 2HG1 ILE 11 3HG1 ILE 11 0.369 4.020 -6.913 131 1HG2 ILE 11 3HG2 ILE 11 -3.376 3.695 -7.674 132 2HG2 ILE 11 1HG2 ILE 11 -2.776 5.178 -8.396 133 3HG2 ILE 11 2HG2 ILE 11 -3.091 3.775 -9.421 134 1HD1 ILE 11 2HD1 ILE 11 -0.917 6.249 -8.509 135 2HD1 ILE 11 3HD1 ILE 11 0.107 6.535 -7.092 136 3HD1 ILE 11 1HD1 ILE 11 0.763 5.680 -8.505 137 QG1 ILE 11 QG1 ILE 11 -0.408 4.357 -6.661 138 QG2 ILE 11 QG2 ILE 11 -3.081 4.216 -8.497 139 QD1 ILE 11 QD1 ILE 11 -0.015 6.155 -8.035 140 H GLY 12 HN GLY 12 -0.773 1.273 -9.976 141 1HA GLY 12 1HA GLY 12 -1.363 -0.928 -10.789 142 2HA GLY 12 2HA GLY 12 -2.940 -0.812 -10.034 143 QA GLY 12 QA GLY 12 -2.151 -0.870 -10.411 144 HA PRO 13 HA PRO 13 -2.748 1.222 -14.380 145 1HB PRO 13 2HB PRO 13 -2.810 -0.718 -16.254 146 2HB PRO 13 3HB PRO 13 -1.327 -0.417 -15.313 147 1HG PRO 13 2HG PRO 13 -3.467 -2.499 -14.739 148 2HG PRO 13 3HG PRO 13 -1.709 -2.773 -14.913 149 1HD PRO 13 2HD PRO 13 -2.914 -2.380 -12.467 150 2HD PRO 13 3HD PRO 13 -1.265 -1.785 -12.820 151 QB PRO 13 QB PRO 13 -2.069 -0.568 -15.783 152 QG PRO 13 QG PRO 13 -2.588 -2.636 -14.826 153 QD PRO 13 QD PRO 13 -2.090 -2.083 -12.644 154 H CYS 14 HN CYS 14 -4.923 0.952 -12.618 155 HA CYS 14 HA CYS 14 -7.208 0.391 -14.478 156 1HB CYS 14 2HB CYS 14 -6.785 -0.296 -11.661 157 2HB CYS 14 3HB CYS 14 -8.210 0.690 -11.898 158 QB CYS 14 QB CYS 14 -7.497 0.197 -11.780 159 H LYS 15 HN LYS 15 -9.054 1.886 -13.918 160 HA LYS 15 HA LYS 15 -7.995 4.688 -13.898 161 1HB LYS 15 2HB LYS 15 -9.768 5.242 -15.433 162 2HB LYS 15 3HB LYS 15 -8.631 4.080 -16.117 163 1HG LYS 15 2HG LYS 15 -10.134 2.266 -15.958 164 2HG LYS 15 3HG LYS 15 -11.260 3.128 -14.903 165 1HD LYS 15 2HD LYS 15 -10.633 3.985 -17.761 166 2HD LYS 15 3HD LYS 15 -11.954 2.885 -17.326 167 1HE LYS 15 2HE LYS 15 -12.880 4.666 -15.783 168 2HE LYS 15 3HE LYS 15 -11.655 5.790 -16.383 169 1HZ LYS 15 1HZ LYS 15 -13.715 4.502 -18.039 170 2HZ LYS 15 2HZ LYS 15 -13.732 6.055 -17.506 171 3HZ LYS 15 3HZ LYS 15 -12.579 5.572 -18.571 172 QB LYS 15 QB LYS 15 -9.199 4.661 -15.775 173 QG LYS 15 QG LYS 15 -10.697 2.697 -15.430 174 QD LYS 15 QD LYS 15 -11.293 3.435 -17.543 175 QE LYS 15 QE LYS 15 -12.267 5.228 -16.083 176 QZ LYS 15 QZ LYS 15 -13.342 5.376 -18.039 177 NH1 ARG 16 NH2 ARG 16 -14.293 5.175 -11.260 178 NH2 ARG 16 NH1 ARG 16 -13.765 6.998 -9.930 179 H ARG 16 HN ARG 16 -8.454 3.630 -11.580 180 HA ARG 16 HA ARG 16 -10.810 5.107 -10.565 181 1HB ARG 16 2HB ARG 16 -10.042 2.234 -10.071 182 2HB ARG 16 3HB ARG 16 -10.685 3.134 -8.703 183 1HG ARG 16 2HG ARG 16 -12.219 3.156 -11.309 184 2HG ARG 16 3HG ARG 16 -12.224 1.725 -10.277 185 1HD ARG 16 2HD ARG 16 -14.151 3.022 -9.637 186 2HD ARG 16 3HD ARG 16 -12.984 2.991 -8.335 187 HE ARG 16 HE ARG 16 -12.784 5.250 -8.410 188 1HH1 ARG 16 2HH2 ARG 16 -14.223 4.184 -11.431 189 2HH1 ARG 16 1HH2 ARG 16 -14.773 5.754 -11.933 190 1HH2 ARG 16 2HH1 ARG 16 -13.355 7.387 -9.094 191 2HH2 ARG 16 1HH1 ARG 16 -14.208 7.630 -10.581 192 QB ARG 16 QB ARG 16 -10.363 2.684 -9.387 193 QG ARG 16 QG ARG 16 -12.222 2.441 -10.793 194 QD ARG 16 QD ARG 16 -13.568 3.006 -8.986 195 QH1 ARG 16 QH2 ARG 16 -14.498 4.969 -11.682 196 QH2 ARG 16 QH1 ARG 16 -13.781 7.509 -9.837 197 H LYS 17 HN LYS 17 -10.489 5.350 -8.124 198 HA LYS 17 HA LYS 17 -7.744 5.500 -7.181 199 1HB LYS 17 2HB LYS 17 -9.524 7.955 -7.544 200 2HB LYS 17 3HB LYS 17 -8.188 7.835 -6.401 201 1HG LYS 17 2HG LYS 17 -6.601 7.370 -8.269 202 2HG LYS 17 3HG LYS 17 -7.939 7.505 -9.403 203 1HD LYS 17 2HD LYS 17 -6.793 9.510 -9.561 204 2HD LYS 17 3HD LYS 17 -8.282 9.909 -8.709 205 1HE LYS 17 2HE LYS 17 -5.604 9.360 -7.313 206 2HE LYS 17 3HE LYS 17 -6.035 10.963 -7.909 207 1HZ LYS 17 3HZ LYS 17 -7.746 9.558 -5.965 208 2HZ LYS 17 1HZ LYS 17 -6.477 10.387 -5.507 209 3HZ LYS 17 2HZ LYS 17 -7.700 11.173 -6.313 210 QB LYS 17 QB LYS 17 -8.856 7.895 -6.973 211 QG LYS 17 QG LYS 17 -7.270 7.438 -8.836 212 QD LYS 17 QD LYS 17 -7.538 9.709 -9.135 213 QE LYS 17 QE LYS 17 -5.820 10.161 -7.611 214 QZ LYS 17 QZ LYS 17 -7.308 10.373 -5.928 215 H ILE 18 HN ILE 18 -7.987 4.518 -5.219 216 HA ILE 18 HA ILE 18 -10.506 4.816 -3.662 217 HB ILE 18 HB ILE 18 -8.972 2.310 -4.401 218 1HG1 ILE 18 2HG1 ILE 18 -11.953 2.951 -4.588 219 2HG1 ILE 18 3HG1 ILE 18 -10.812 3.205 -5.916 220 1HG2 ILE 18 2HG2 ILE 18 -11.119 2.586 -2.245 221 2HG2 ILE 18 3HG2 ILE 18 -10.438 1.058 -2.836 222 3HG2 ILE 18 1HG2 ILE 18 -9.416 2.176 -1.964 223 1HD1 ILE 18 2HD1 ILE 18 -10.194 0.786 -5.832 224 2HD1 ILE 18 3HD1 ILE 18 -11.523 0.526 -4.680 225 3HD1 ILE 18 1HD1 ILE 18 -11.868 1.116 -6.310 226 QG1 ILE 18 QG1 ILE 18 -11.382 3.078 -5.252 227 QG2 ILE 18 QG2 ILE 18 -10.325 1.940 -2.349 228 QD1 ILE 18 QD1 ILE 18 -11.195 0.809 -5.607 229 HA PRO 19 HA PRO 19 -7.147 6.170 -0.970 230 1HB PRO 19 2HB PRO 19 -8.571 6.585 1.363 231 2HB PRO 19 3HB PRO 19 -8.520 7.717 -0.017 232 1HG PRO 19 2HG PRO 19 -10.628 5.638 0.598 233 2HG PRO 19 3HG PRO 19 -10.873 7.345 0.128 234 1HD PRO 19 2HD PRO 19 -11.066 5.334 -1.650 235 2HD PRO 19 3HD PRO 19 -10.300 6.878 -2.144 236 QB PRO 19 QB PRO 19 -8.546 7.151 0.673 237 QG PRO 19 QG PRO 19 -10.751 6.492 0.363 238 QD PRO 19 QD PRO 19 -10.683 6.106 -1.897 239 H SER 20 HN SER 20 -5.690 4.828 -0.006 240 HA SER 20 HA SER 20 -6.496 2.866 1.983 241 1HB SER 20 2HB SER 20 -4.840 1.911 -0.407 242 2HB SER 20 3HB SER 20 -5.458 0.931 0.903 243 HG SER 20 HG SER 20 -6.997 2.281 -1.042 244 QB SER 20 QB SER 20 -5.149 1.421 0.248 245 H PHE 21 HN PHE 21 -4.298 1.713 2.601 246 HA PHE 21 HA PHE 21 -2.097 3.714 2.624 247 1HB PHE 21 2HB PHE 21 -3.056 1.905 4.870 248 2HB PHE 21 3HB PHE 21 -1.524 2.773 4.885 249 HD1 PHE 21 2HD PHE 21 -5.225 3.195 4.893 250 HD2 PHE 21 1HD PHE 21 -1.418 5.166 5.253 251 HE1 PHE 21 2HE PHE 21 -6.372 5.267 5.619 252 HE2 PHE 21 1HE PHE 21 -2.561 7.243 5.980 253 HZ PHE 21 HZ PHE 21 -5.040 7.305 6.150 254 QB PHE 21 QB PHE 21 -2.290 2.339 4.877 255 QR PHE 21 QR PHE 21 -3.894 5.218 5.436 256 OH TYR 22 OH TYR 22 4.118 5.173 -1.553 257 H TYR 22 HN TYR 22 -0.008 2.846 2.350 258 HA TYR 22 HA TYR 22 0.321 -0.065 2.177 259 1HB TYR 22 2HB TYR 22 1.430 -0.023 0.167 260 2HB TYR 22 3HB TYR 22 -0.006 0.885 -0.245 261 HD1 TYR 22 HD2 TYR 22 0.372 3.580 0.379 262 HD2 TYR 22 HD1 TYR 22 3.412 0.743 -0.772 263 HE1 TYR 22 HE2 TYR 22 1.750 5.421 -0.460 264 HE2 TYR 22 HE1 TYR 22 4.792 2.593 -1.645 265 HH TYR 22 HH TYR 22 3.718 6.011 -1.306 266 QB TYR 22 QB TYR 22 0.712 0.431 -0.039 267 QR TYR 22 QR TYR 22 2.581 3.084 -0.624 268 OH TYR 23 OH TYR 23 9.204 -0.144 7.266 269 H TYR 23 HN TYR 23 2.716 -0.516 2.158 270 HA TYR 23 HA TYR 23 4.162 1.415 3.901 271 1HB TYR 23 2HB TYR 23 3.731 -0.949 4.647 272 2HB TYR 23 3HB TYR 23 4.743 -1.492 3.333 273 HD1 TYR 23 HD1 TYR 23 7.187 -0.741 3.258 274 HD2 TYR 23 HD2 TYR 23 4.704 -0.453 6.742 275 HE1 TYR 23 HE1 TYR 23 9.186 -0.616 4.698 276 HE2 TYR 23 HE2 TYR 23 6.693 -0.055 8.145 277 HH TYR 23 HH TYR 23 9.046 0.315 8.096 278 QB TYR 23 QB TYR 23 4.237 -1.220 3.990 279 QR TYR 23 QR TYR 23 6.942 -0.466 5.711 280 H LYS 24 HN LYS 24 5.474 2.809 2.694 281 HA LYS 24 HA LYS 24 6.506 1.823 0.077 282 1HB LYS 24 2HB LYS 24 5.688 4.095 0.234 283 2HB LYS 24 3HB LYS 24 6.898 4.498 1.447 284 1HG LYS 24 2HG LYS 24 8.564 4.700 -0.084 285 2HG LYS 24 3HG LYS 24 8.061 3.278 -1.011 286 1HD LYS 24 2HD LYS 24 6.345 4.447 -2.142 287 2HD LYS 24 3HD LYS 24 6.541 5.899 -1.125 288 1HE LYS 24 2HE LYS 24 8.748 6.318 -2.141 289 2HE LYS 24 3HE LYS 24 8.615 4.824 -3.090 290 1HZ LYS 24 3HZ LYS 24 6.618 5.807 -4.122 291 2HZ LYS 24 1HZ LYS 24 6.910 7.218 -3.339 292 3HZ LYS 24 2HZ LYS 24 7.986 6.657 -4.443 293 QB LYS 24 QB LYS 24 6.293 4.296 0.840 294 QG LYS 24 QG LYS 24 8.312 3.989 -0.547 295 QD LYS 24 QD LYS 24 6.443 5.173 -1.633 296 QE LYS 24 QE LYS 24 8.681 5.571 -2.616 297 QZ LYS 24 QZ LYS 24 7.171 6.561 -3.968 298 CH2 TRP 25 CH2 TRP 25 11.950 -3.923 5.247 299 H TRP 25 HN TRP 25 8.037 0.214 0.558 300 HA TRP 25 HA TRP 25 9.867 0.237 2.644 301 1HB TRP 25 2HB TRP 25 9.360 -1.602 1.031 302 2HB TRP 25 3HB TRP 25 10.479 -0.871 -0.114 303 HD1 TRP 25 HD1 TRP 25 13.049 -1.243 0.326 304 HE1 TRP 25 HE1 TRP 25 14.428 -2.569 2.001 305 HE3 TRP 25 HE3 TRP 25 9.308 -2.605 3.538 306 HZ2 TRP 25 HZ2 TRP 25 14.000 -3.901 4.562 307 HZ3 TRP 25 HZ3 TRP 25 9.821 -3.825 5.616 308 HH2 TRP 25 HH2 TRP 25 12.170 -4.449 6.165 309 QB TRP 25 QB TRP 25 9.919 -1.237 0.458 310 H LYS 26 HN LYS 26 10.140 1.904 -0.450 311 HA LYS 26 HA LYS 26 12.844 2.671 -0.301 312 1HB LYS 26 2HB LYS 26 11.100 2.862 -2.178 313 2HB LYS 26 3HB LYS 26 10.637 4.411 -1.478 314 1HG LYS 26 2HG LYS 26 13.544 3.827 -2.163 315 2HG LYS 26 3HG LYS 26 12.380 4.133 -3.455 316 1HD LYS 26 2HD LYS 26 11.799 6.339 -2.450 317 2HD LYS 26 3HD LYS 26 12.937 6.037 -1.139 318 1HE LYS 26 2HE LYS 26 13.963 7.519 -2.745 319 2HE LYS 26 3HE LYS 26 14.833 5.982 -2.704 320 1HZ LYS 26 1HZ LYS 26 12.853 6.759 -4.756 321 2HZ LYS 26 2HZ LYS 26 14.482 6.811 -4.935 322 3HZ LYS 26 3HZ LYS 26 13.735 5.365 -4.742 323 QB LYS 26 QB LYS 26 10.868 3.637 -1.828 324 QG LYS 26 QG LYS 26 12.962 3.980 -2.809 325 QD LYS 26 QD LYS 26 12.368 6.188 -1.794 326 QE LYS 26 QE LYS 26 14.398 6.750 -2.725 327 QZ LYS 26 QZ LYS 26 13.690 6.312 -4.811 328 H ALA 27 HN ALA 27 10.092 3.781 1.565 329 HA ALA 27 HA ALA 27 11.685 5.955 2.851 330 1HB ALA 27 3HB ALA 27 9.551 6.651 1.811 331 2HB ALA 27 1HB ALA 27 8.683 5.466 2.815 332 3HB ALA 27 2HB ALA 27 9.527 6.828 3.578 333 QB ALA 27 QB ALA 27 9.254 6.315 2.734 334 H LYS 28 HN LYS 28 10.202 2.829 3.322 335 HA LYS 28 HA LYS 28 10.032 1.408 5.010 336 1HB LYS 28 2HB LYS 28 12.381 2.999 5.971 337 2HB LYS 28 3HB LYS 28 11.658 1.837 7.076 338 1HG LYS 28 2HG LYS 28 12.243 0.010 5.914 339 2HG LYS 28 3HG LYS 28 12.130 0.788 4.332 340 1HD LYS 28 2HD LYS 28 14.177 1.960 4.594 341 2HD LYS 28 3HD LYS 28 14.306 1.520 6.315 342 1HE LYS 28 2HE LYS 28 14.593 -0.848 5.744 343 2HE LYS 28 3HE LYS 28 14.346 -0.503 4.021 344 1HZ LYS 28 1HZ LYS 28 16.559 0.596 5.627 345 2HZ LYS 28 2HZ LYS 28 16.685 -0.723 4.656 346 3HZ LYS 28 3HZ LYS 28 16.352 0.749 4.001 347 QB LYS 28 QB LYS 28 12.020 2.418 6.524 348 QG LYS 28 QG LYS 28 12.187 0.399 5.123 349 QD LYS 28 QD LYS 28 14.242 1.740 5.454 350 QE LYS 28 QE LYS 28 14.469 -0.676 4.882 351 QZ LYS 28 QZ LYS 28 16.532 0.208 4.761 352 H GLN 29 HN GLN 29 8.008 3.179 4.813 353 HA GLN 29 HA GLN 29 6.929 2.840 7.451 354 1HB GLN 29 2HB GLN 29 7.767 5.592 6.556 355 2HB GLN 29 3HB GLN 29 6.143 5.455 7.220 356 1HG GLN 29 2HG GLN 29 7.277 4.165 9.205 357 2HG GLN 29 3HG GLN 29 8.759 4.950 8.635 358 1HE2 GLN 29 2HE2 GLN 29 7.375 8.298 9.252 359 2HE2 GLN 29 1HE2 GLN 29 8.335 7.422 8.071 360 QB GLN 29 QB GLN 29 6.955 5.524 6.888 361 QG GLN 29 QG GLN 29 8.018 4.558 8.920 362 QE2 GLN 29 QE2 GLN 29 7.855 7.860 8.662 363 H CYS 30 HN CYS 30 4.699 3.617 7.589 364 HA CYS 30 HA CYS 30 3.159 2.679 5.275 365 1HB CYS 30 2HB CYS 30 2.502 3.366 8.123 366 2HB CYS 30 3HB CYS 30 1.281 2.851 6.957 367 QB CYS 30 QB CYS 30 1.891 3.108 7.540 368 H LEU 31 HN LEU 31 1.899 3.956 4.037 369 HA LEU 31 HA LEU 31 1.642 6.847 4.671 370 1HB LEU 31 2HB LEU 31 2.654 5.628 2.075 371 2HB LEU 31 3HB LEU 31 2.422 7.352 2.367 372 HG LEU 31 HG LEU 31 4.458 5.571 3.782 373 1HD1 LEU 31 1HD1 LEU 31 4.860 5.958 1.343 374 2HD1 LEU 31 2HD1 LEU 31 4.891 7.700 1.655 375 3HD1 LEU 31 3HD1 LEU 31 6.113 6.646 2.396 376 1HD2 LEU 31 3HD2 LEU 31 4.144 8.613 3.825 377 2HD2 LEU 31 1HD2 LEU 31 3.801 7.546 5.193 378 3HD2 LEU 31 2HD2 LEU 31 5.452 7.685 4.584 379 QB LEU 31 QB LEU 31 2.538 6.490 2.221 380 QD1 LEU 31 QD1 LEU 31 5.288 6.768 1.798 381 QD2 LEU 31 QD2 LEU 31 4.466 7.948 4.534 382 QQD LEU 31 QQD LEU 31 4.877 7.358 3.166 383 HA PRO 32 HA PRO 32 -2.408 6.177 2.718 384 1HB PRO 32 2HB PRO 32 -3.066 8.793 2.152 385 2HB PRO 32 3HB PRO 32 -3.135 8.115 3.790 386 1HG PRO 32 2HG PRO 32 -0.947 9.777 2.543 387 2HG PRO 32 3HG PRO 32 -1.643 9.925 4.181 388 1HD PRO 32 2HD PRO 32 0.718 8.653 3.659 389 2HD PRO 32 3HD PRO 32 -0.371 8.112 4.971 390 QB PRO 32 QB PRO 32 -3.101 8.454 2.971 391 QG PRO 32 QG PRO 32 -1.295 9.851 3.362 392 QD PRO 32 QD PRO 32 0.174 8.383 4.315 393 H PHE 33 HN PHE 33 -3.264 6.090 0.545 394 HA PHE 33 HA PHE 33 -2.295 7.843 -1.500 395 1HB PHE 33 2HB PHE 33 -1.215 6.348 -2.955 396 2HB PHE 33 3HB PHE 33 -0.429 6.074 -1.418 397 HD1 PHE 33 2HD PHE 33 -1.910 4.165 0.074 398 HD2 PHE 33 1HD PHE 33 -1.689 4.430 -4.221 399 HE1 PHE 33 2HE PHE 33 -2.277 1.732 -0.113 400 HE2 PHE 33 1HE PHE 33 -1.688 1.961 -4.364 401 HZ PHE 33 HZ PHE 33 -1.849 0.609 -2.232 402 QB PHE 33 QB PHE 33 -0.822 6.211 -2.186 403 QR PHE 33 QR PHE 33 -1.891 3.072 -2.156 404 H ASP 34 HN ASP 34 -3.292 7.053 -3.708 405 HA ASP 34 HA ASP 34 -5.997 5.896 -3.265 406 1HB ASP 34 2HB ASP 34 -4.710 7.522 -5.488 407 2HB ASP 34 3HB ASP 34 -6.223 6.639 -5.675 408 QB ASP 34 QB ASP 34 -5.466 7.080 -5.581 409 OH TYR 35 OH TYR 35 -5.480 -3.664 -7.107 410 H TYR 35 HN TYR 35 -5.923 3.703 -3.496 411 HA TYR 35 HA TYR 35 -4.069 2.359 -5.334 412 1HB TYR 35 2HB TYR 35 -4.979 1.211 -3.355 413 2HB TYR 35 3HB TYR 35 -6.621 1.478 -3.924 414 HD1 TYR 35 HD1 TYR 35 -3.585 0.232 -5.763 415 HD2 TYR 35 HD2 TYR 35 -7.542 -0.670 -4.376 416 HE1 TYR 35 HE1 TYR 35 -3.604 -1.786 -7.176 417 HE2 TYR 35 HE2 TYR 35 -7.342 -2.935 -5.412 418 HH TYR 35 HH TYR 35 -6.378 -4.011 -7.214 419 QB TYR 35 QB TYR 35 -5.800 1.344 -3.640 420 QR TYR 35 QR TYR 35 -5.518 -1.290 -5.682 421 H SER 36 HN SER 36 -4.838 1.406 -7.410 422 HA SER 36 HA SER 36 -6.941 3.014 -8.652 423 1HB SER 36 2HB SER 36 -6.425 1.867 -10.666 424 2HB SER 36 3HB SER 36 -4.923 2.374 -9.909 425 HG SER 36 HG SER 36 -4.537 0.287 -9.255 426 QB SER 36 QB SER 36 -5.674 2.121 -10.287 427 H GLY 37 HN GLY 37 -6.547 -0.498 -8.690 428 1HA GLY 37 1HA GLY 37 -8.771 -1.337 -7.160 429 2HA GLY 37 2HA GLY 37 -9.373 -1.032 -8.798 430 QA GLY 37 QA GLY 37 -9.072 -1.184 -7.979 431 H CYS 38 HN CYS 38 -7.238 -1.779 -10.374 432 HA CYS 38 HA CYS 38 -6.955 -4.701 -9.845 433 1HB CYS 38 2HB CYS 38 -6.873 -5.072 -12.189 434 2HB CYS 38 3HB CYS 38 -8.387 -4.279 -11.778 435 QB CYS 38 QB CYS 38 -7.630 -4.676 -11.984 436 H GLY 39 HN GLY 39 -5.026 -5.693 -10.536 437 1HA GLY 39 1HA GLY 39 -2.770 -5.930 -10.646 438 2HA GLY 39 2HA GLY 39 -2.730 -4.437 -11.581 439 QA GLY 39 QA GLY 39 -2.750 -5.183 -11.114 440 H GLY 40 HN GLY 40 -3.783 -4.940 -8.193 441 1HA GLY 40 1HA GLY 40 -1.575 -3.283 -7.143 442 2HA GLY 40 2HA GLY 40 -2.935 -3.853 -6.229 443 QA GLY 40 QA GLY 40 -2.255 -3.568 -6.686 444 H ASN 41 HN ASN 41 -0.170 -4.106 -5.663 445 HA ASN 41 HA ASN 41 0.439 -6.994 -5.599 446 1HB ASN 41 2HB ASN 41 2.381 -6.249 -4.311 447 2HB ASN 41 3HB ASN 41 2.300 -5.464 -5.884 448 1HD2 ASN 41 2HD2 ASN 41 3.075 -2.485 -4.090 449 2HD2 ASN 41 1HD2 ASN 41 3.690 -3.745 -5.129 450 QB ASN 41 QB ASN 41 2.341 -5.856 -5.098 451 QD2 ASN 41 QD2 ASN 41 3.382 -3.115 -4.610 452 H ALA 42 HN ALA 42 1.362 -7.322 -2.996 453 HA ALA 42 HA ALA 42 -1.253 -7.361 -1.533 454 1HB ALA 42 2HB ALA 42 1.406 -8.703 -0.962 455 2HB ALA 42 3HB ALA 42 -0.076 -8.899 -0.005 456 3HB ALA 42 1HB ALA 42 -0.018 -9.445 -1.694 457 QB ALA 42 QB ALA 42 0.437 -9.016 -0.887 458 H ASN 43 HN ASN 43 1.020 -5.003 -1.785 459 HA ASN 43 HA ASN 43 1.232 -4.430 1.103 460 1HB ASN 43 2HB ASN 43 3.065 -4.178 -0.695 461 2HB ASN 43 3HB ASN 43 2.194 -2.719 -1.227 462 1HD2 ASN 43 2HD2 ASN 43 4.826 -1.612 1.080 463 2HD2 ASN 43 1HD2 ASN 43 4.790 -2.458 -0.427 464 QB ASN 43 QB ASN 43 2.629 -3.449 -0.961 465 QD2 ASN 43 QD2 ASN 43 4.808 -2.035 0.326 466 NH1 ARG 44 NH2 ARG 44 -2.105 -1.019 -4.037 467 NH2 ARG 44 NH1 ARG 44 -1.442 -3.210 -3.843 468 H ARG 44 HN ARG 44 -1.248 -4.420 1.140 469 HA ARG 44 HA ARG 44 -2.156 -1.595 0.814 470 1HB ARG 44 2HB ARG 44 -2.639 -3.408 -1.155 471 2HB ARG 44 3HB ARG 44 -4.113 -3.589 -0.199 472 1HG ARG 44 2HG ARG 44 -4.580 -1.192 -0.335 473 2HG ARG 44 3HG ARG 44 -3.004 -0.899 -1.076 474 1HD ARG 44 2HD ARG 44 -5.420 -2.207 -2.352 475 2HD ARG 44 3HD ARG 44 -4.531 -0.794 -2.823 476 HE ARG 44 HE ARG 44 -3.825 -3.616 -3.240 477 1HH1 ARG 44 2HH2 ARG 44 -2.820 -0.329 -3.880 478 2HH1 ARG 44 1HH2 ARG 44 -1.347 -0.779 -4.678 479 1HH2 ARG 44 2HH1 ARG 44 -1.661 -4.172 -3.587 480 2HH2 ARG 44 1HH1 ARG 44 -0.453 -2.968 -3.807 481 QB ARG 44 QB ARG 44 -3.376 -3.499 -0.677 482 QG ARG 44 QG ARG 44 -3.792 -1.045 -0.706 483 QD ARG 44 QD ARG 44 -4.976 -1.500 -2.587 484 QH1 ARG 44 QH2 ARG 44 -2.084 -0.554 -4.279 485 QH2 ARG 44 QH1 ARG 44 -1.057 -3.570 -3.697 486 H PHE 45 HN PHE 45 -3.319 -0.918 2.410 487 HA PHE 45 HA PHE 45 -4.813 -2.719 4.305 488 1HB PHE 45 2HB PHE 45 -2.898 -0.468 4.950 489 2HB PHE 45 3HB PHE 45 -3.835 -1.440 6.072 490 HD1 PHE 45 2HD PHE 45 -3.280 -3.877 6.400 491 HD2 PHE 45 1HD PHE 45 -0.893 -1.426 3.799 492 HE1 PHE 45 2HE PHE 45 -1.351 -5.398 6.749 493 HE2 PHE 45 1HE PHE 45 0.994 -3.022 4.023 494 HZ PHE 45 HZ PHE 45 0.801 -4.951 5.596 495 QB PHE 45 QB PHE 45 -3.366 -0.954 5.511 496 QR PHE 45 QR PHE 45 -1.133 -3.431 5.243 497 H LYS 46 HN LYS 46 -6.623 -1.749 5.185 498 HA LYS 46 HA LYS 46 -7.680 0.534 3.643 499 1HB LYS 46 2HB LYS 46 -8.776 -1.424 5.634 500 2HB LYS 46 3HB LYS 46 -9.587 0.128 5.456 501 1HG LYS 46 2HG LYS 46 -8.912 -1.542 2.987 502 2HG LYS 46 3HG LYS 46 -10.300 -1.915 3.993 503 1HD LYS 46 2HD LYS 46 -11.515 -0.479 2.884 504 2HD LYS 46 3HD LYS 46 -10.634 0.841 3.615 505 1HE LYS 46 2HE LYS 46 -9.931 -0.495 0.936 506 2HE LYS 46 3HE LYS 46 -10.928 0.950 1.124 507 1HZ LYS 46 1HZ LYS 46 -9.007 2.052 2.144 508 2HZ LYS 46 2HZ LYS 46 -8.063 0.752 1.750 509 3HZ LYS 46 3HZ LYS 46 -8.738 1.686 0.612 510 QB LYS 46 QB LYS 46 -9.181 -0.648 5.545 511 QG LYS 46 QG LYS 46 -9.606 -1.729 3.490 512 QD LYS 46 QD LYS 46 -11.075 0.181 3.250 513 QE LYS 46 QE LYS 46 -10.429 0.227 1.030 514 QZ LYS 46 QZ LYS 46 -8.603 1.497 1.502 515 H THR 47 HN THR 47 -6.081 -0.180 6.662 516 HA THR 47 HA THR 47 -6.239 2.738 7.370 517 HB THR 47 HB THR 47 -6.229 2.189 9.672 518 HG1 THR 47 1HG THR 47 -5.937 -0.475 8.743 519 1HG2 THR 47 3HG2 THR 47 -8.457 2.069 8.497 520 2HG2 THR 47 1HG2 THR 47 -8.267 0.303 8.399 521 3HG2 THR 47 2HG2 THR 47 -8.345 1.089 9.982 522 QG2 THR 47 QG2 THR 47 -8.356 1.154 8.959 523 H ILE 48 HN ILE 48 -4.476 3.687 8.210 524 HA ILE 48 HA ILE 48 -1.859 2.698 7.604 525 HB ILE 48 HB ILE 48 -2.851 5.120 8.030 526 1HG1 ILE 48 2HG1 ILE 48 -0.482 4.511 7.380 527 2HG1 ILE 48 3HG1 ILE 48 -0.877 6.110 8.015 528 1HG2 ILE 48 3HG2 ILE 48 -3.649 4.739 10.277 529 2HG2 ILE 48 1HG2 ILE 48 -1.988 4.533 10.859 530 3HG2 ILE 48 2HG2 ILE 48 -2.503 6.089 10.180 531 1HD1 ILE 48 1HD1 ILE 48 0.249 3.868 9.703 532 2HD1 ILE 48 2HD1 ILE 48 1.185 5.197 8.964 533 3HD1 ILE 48 3HD1 ILE 48 -0.041 5.559 10.196 534 QG1 ILE 48 QG1 ILE 48 -0.680 5.311 7.698 535 QG2 ILE 48 QG2 ILE 48 -2.713 5.120 10.439 536 QD1 ILE 48 QD1 ILE 48 0.464 4.875 9.621 537 H GLU 49 HN GLU 49 -3.920 2.472 10.495 538 HA GLU 49 HA GLU 49 -1.794 1.581 12.160 539 1HB GLU 49 2HB GLU 49 -4.835 1.181 12.321 540 2HB GLU 49 3HB GLU 49 -3.709 0.758 13.621 541 1HG GLU 49 2HG GLU 49 -3.953 3.589 12.496 542 2HG GLU 49 3HG GLU 49 -4.784 2.994 13.938 543 QB GLU 49 QB GLU 49 -4.272 0.970 12.971 544 QG GLU 49 QG GLU 49 -4.369 3.292 13.217 545 H GLU 50 HN GLU 50 -4.119 -0.249 10.093 546 HA GLU 50 HA GLU 50 -3.189 -2.842 10.915 547 1HB GLU 50 2HB GLU 50 -4.059 -1.780 8.212 548 2HB GLU 50 3HB GLU 50 -3.750 -3.490 8.538 549 1HG GLU 50 2HG GLU 50 -5.651 -3.809 9.802 550 2HG GLU 50 3HG GLU 50 -5.849 -2.110 10.196 551 QB GLU 50 QB GLU 50 -3.905 -2.635 8.375 552 QG GLU 50 QG GLU 50 -5.750 -2.960 9.999 553 H CYS 51 HN CYS 51 -2.125 -0.745 8.176 554 HA CYS 51 HA CYS 51 0.057 -2.248 7.349 555 1HB CYS 51 2HB CYS 51 -0.742 -0.266 6.129 556 2HB CYS 51 3HB CYS 51 -0.160 0.792 7.406 557 QB CYS 51 QB CYS 51 -0.451 0.263 6.767 558 NH1 ARG 52 NH2 ARG 52 2.099 5.735 13.862 559 NH2 ARG 52 NH1 ARG 52 2.608 6.282 11.666 560 H ARG 52 HN ARG 52 0.134 0.367 9.806 561 HA ARG 52 HA ARG 52 2.899 0.147 10.351 562 1HB ARG 52 2HB ARG 52 1.385 2.017 10.975 563 2HB ARG 52 3HB ARG 52 0.666 1.001 12.236 564 1HG ARG 52 2HG ARG 52 2.785 0.845 13.419 565 2HG ARG 52 3HG ARG 52 3.647 1.663 12.104 566 1HD ARG 52 2HD ARG 52 1.405 2.913 13.748 567 2HD ARG 52 3HD ARG 52 3.146 3.114 14.070 568 HE ARG 52 HE ARG 52 2.592 3.782 11.345 569 1HH1 ARG 52 2HH2 ARG 52 1.861 5.023 14.537 570 2HH1 ARG 52 1HH2 ARG 52 2.034 6.703 14.133 571 1HH2 ARG 52 2HH1 ARG 52 2.862 6.005 10.728 572 2HH2 ARG 52 1HH1 ARG 52 2.562 7.267 11.875 573 QB ARG 52 QB ARG 52 1.026 1.509 11.606 574 QG ARG 52 QG ARG 52 3.216 1.254 12.761 575 QD ARG 52 QD ARG 52 2.275 3.013 13.909 576 QH1 ARG 52 QH2 ARG 52 1.947 5.863 14.335 577 QH2 ARG 52 QH1 ARG 52 2.712 6.636 11.302 578 NH1 ARG 53 NH2 ARG 53 -0.801 -5.642 17.493 579 NH2 ARG 53 NH1 ARG 53 -3.049 -6.174 17.710 580 H ARG 53 HN ARG 53 0.062 -1.458 11.847 581 HA ARG 53 HA ARG 53 1.713 -2.695 13.858 582 1HB ARG 53 2HB ARG 53 -0.577 -1.863 14.131 583 2HB ARG 53 3HB ARG 53 -1.199 -3.191 13.126 584 1HG ARG 53 2HG ARG 53 -0.705 -4.801 14.750 585 2HG ARG 53 3HG ARG 53 0.542 -3.790 15.516 586 1HD ARG 53 2HD ARG 53 -0.909 -2.800 16.935 587 2HD ARG 53 3HD ARG 53 -2.050 -2.434 15.652 588 HE ARG 53 HE ARG 53 -3.386 -4.047 16.404 589 1HH1 ARG 53 2HH2 ARG 53 -0.098 -5.008 17.135 590 2HH1 ARG 53 1HH2 ARG 53 -0.505 -6.473 17.981 591 1HH2 ARG 53 2HH1 ARG 53 -4.022 -5.956 17.545 592 2HH2 ARG 53 1HH1 ARG 53 -2.827 -7.015 18.220 593 QB ARG 53 QB ARG 53 -0.888 -2.527 13.628 594 QG ARG 53 QG ARG 53 -0.082 -4.296 15.133 595 QD ARG 53 QD ARG 53 -1.480 -2.617 16.293 596 QH1 ARG 53 QH2 ARG 53 -0.301 -5.741 17.558 597 QH2 ARG 53 QH1 ARG 53 -3.424 -6.486 17.883 598 H THR 54 HN THR 54 0.776 -3.588 10.625 599 HA THR 54 HA THR 54 1.505 -6.395 10.923 600 HB THR 54 HB THR 54 1.131 -4.618 8.470 601 HG1 THR 54 1HG THR 54 -0.466 -6.415 9.935 602 1HG2 THR 54 1HG2 THR 54 1.622 -7.617 8.737 603 2HG2 THR 54 2HG2 THR 54 0.964 -6.833 7.287 604 3HG2 THR 54 3HG2 THR 54 2.603 -6.442 7.827 605 QG2 THR 54 QG2 THR 54 1.729 -6.964 7.950 606 H CYS 55 HN CYS 55 3.173 -3.480 9.494 607 HA CYS 55 HA CYS 55 5.543 -5.247 9.149 608 1HB CYS 55 2HB CYS 55 4.968 -2.524 8.033 609 2HB CYS 55 3HB CYS 55 6.515 -3.368 7.889 610 QB CYS 55 QB CYS 55 5.742 -2.946 7.961 611 H VAL 56 HN VAL 56 4.646 -2.445 11.027 612 HA VAL 56 HA VAL 56 7.315 -2.243 12.314 613 HB VAL 56 HB VAL 56 4.980 -0.289 12.536 614 1HG1 VAL 56 2HG1 VAL 56 7.950 -0.044 13.088 615 2HG1 VAL 56 3HG1 VAL 56 6.913 1.369 12.821 616 3HG1 VAL 56 1HG1 VAL 56 6.573 0.319 14.166 617 1HG2 VAL 56 1HG2 VAL 56 7.138 -0.317 10.408 618 2HG2 VAL 56 2HG2 VAL 56 5.373 -0.381 10.156 619 3HG2 VAL 56 3HG2 VAL 56 6.110 1.089 10.761 620 QG1 VAL 56 QG1 VAL 56 7.145 0.548 13.358 621 QG2 VAL 56 QG2 VAL 56 6.207 0.131 10.442 622 QQG VAL 56 QQG VAL 56 6.676 0.339 11.900 623 H GLY 57 HN GLY 57 6.524 -1.410 14.811 624 1HA GLY 57 1HA GLY 57 4.893 -3.531 16.025 625 2HA GLY 57 2HA GLY 57 5.613 -2.108 16.808 626 QA GLY 57 QA GLY 57 5.253 -2.819 16.416 Start of MODEL 10 Raw file had 626 H/Q atoms Start of MODEL 10 1 H ALA 1 HN ALA 1 9.389 -6.439 10.258 2 HA ALA 1 HA ALA 1 7.447 -6.221 8.784 3 1HB ALA 1 1HB ALA 1 10.161 -6.000 7.400 4 2HB ALA 1 2HB ALA 1 8.657 -5.290 6.792 5 3HB ALA 1 3HB ALA 1 9.335 -4.732 8.332 6 QB ALA 1 QB ALA 1 9.384 -5.340 7.508 7 H ALA 2 HN ALA 2 6.299 -6.996 6.919 8 HA ALA 2 HA ALA 2 6.635 -9.829 6.345 9 1HB ALA 2 1HB ALA 2 4.417 -8.779 6.538 10 2HB ALA 2 2HB ALA 2 4.785 -7.717 5.159 11 3HB ALA 2 3HB ALA 2 4.650 -9.472 4.925 12 QB ALA 2 QB ALA 2 4.618 -8.656 5.541 13 H LYS 3 HN LYS 3 6.624 -10.593 3.985 14 HA LYS 3 HA LYS 3 8.926 -9.524 2.607 15 1HB LYS 3 2HB LYS 3 7.090 -11.806 2.269 16 2HB LYS 3 3HB LYS 3 7.396 -11.003 0.733 17 1HG LYS 3 2HG LYS 3 9.006 -12.707 0.940 18 2HG LYS 3 3HG LYS 3 9.853 -11.166 1.124 19 1HD LYS 3 2HD LYS 3 9.761 -11.435 3.617 20 2HD LYS 3 3HD LYS 3 8.936 -12.979 3.434 21 1HE LYS 3 2HE LYS 3 11.749 -12.325 2.406 22 2HE LYS 3 3HE LYS 3 11.395 -13.130 3.939 23 1HZ LYS 3 1HZ LYS 3 10.709 -14.212 1.287 24 2HZ LYS 3 2HZ LYS 3 11.955 -14.695 2.238 25 3HZ LYS 3 3HZ LYS 3 10.411 -14.939 2.736 26 QB LYS 3 QB LYS 3 7.243 -11.405 1.501 27 QG LYS 3 QG LYS 3 9.430 -11.936 1.032 28 QD LYS 3 QD LYS 3 9.349 -12.207 3.525 29 QE LYS 3 QE LYS 3 11.572 -12.728 3.172 30 QZ LYS 3 QZ LYS 3 11.025 -14.616 2.087 31 OH TYR 4 OH TYR 4 1.054 -8.805 5.496 32 H TYR 4 HN TYR 4 5.411 -9.390 1.971 33 HA TYR 4 HA TYR 4 5.672 -7.817 -0.353 34 1HB TYR 4 2HB TYR 4 3.266 -7.388 -0.069 35 2HB TYR 4 3HB TYR 4 3.736 -9.087 0.002 36 HD1 TYR 4 HD2 TYR 4 2.975 -6.190 2.325 37 HD2 TYR 4 HD1 TYR 4 2.905 -10.464 1.696 38 HE1 TYR 4 HE2 TYR 4 1.964 -6.510 4.542 39 HE2 TYR 4 HE1 TYR 4 1.713 -10.752 3.837 40 HH TYR 4 HH TYR 4 0.735 -9.698 5.645 41 QB TYR 4 QB TYR 4 3.501 -8.238 -0.033 42 QR TYR 4 QR TYR 4 2.389 -8.479 3.100 43 H CYS 5 HN CYS 5 5.976 -6.915 2.917 44 HA CYS 5 HA CYS 5 5.339 -4.175 2.989 45 1HB CYS 5 2HB CYS 5 6.417 -5.755 4.807 46 2HB CYS 5 3HB CYS 5 7.944 -5.266 4.057 47 QB CYS 5 QB CYS 5 7.180 -5.510 4.432 48 H LYS 6 HN LYS 6 7.973 -5.908 1.319 49 HA LYS 6 HA LYS 6 9.529 -3.588 0.661 50 1HB LYS 6 2HB LYS 6 10.482 -5.739 1.144 51 2HB LYS 6 3HB LYS 6 9.592 -6.489 -0.195 52 1HG LYS 6 2HG LYS 6 10.799 -5.361 -1.833 53 2HG LYS 6 3HG LYS 6 11.521 -4.213 -0.676 54 1HD LYS 6 2HD LYS 6 12.934 -5.806 0.260 55 2HD LYS 6 3HD LYS 6 11.910 -7.160 -0.280 56 1HE LYS 6 2HE LYS 6 12.578 -6.610 -2.682 57 2HE LYS 6 3HE LYS 6 13.770 -5.478 -2.024 58 1HZ LYS 6 3HZ LYS 6 14.755 -7.401 -0.860 59 2HZ LYS 6 1HZ LYS 6 13.668 -8.400 -1.590 60 3HZ LYS 6 2HZ LYS 6 14.767 -7.584 -2.492 61 QB LYS 6 QB LYS 6 10.037 -6.114 0.474 62 QG LYS 6 QG LYS 6 11.160 -4.787 -1.255 63 QD LYS 6 QD LYS 6 12.422 -6.483 -0.010 64 QE LYS 6 QE LYS 6 13.174 -6.044 -2.353 65 QZ LYS 6 QZ LYS 6 14.397 -7.795 -1.647 66 H LEU 7 HN LEU 7 6.653 -4.994 -0.796 67 HA LEU 7 HA LEU 7 7.410 -4.492 -3.515 68 1HB LEU 7 2HB LEU 7 4.701 -4.854 -2.200 69 2HB LEU 7 3HB LEU 7 4.984 -4.803 -3.940 70 HG LEU 7 HG LEU 7 6.457 -6.861 -2.311 71 1HD1 LEU 7 3HD1 LEU 7 3.792 -6.900 -2.062 72 2HD1 LEU 7 1HD1 LEU 7 3.878 -7.598 -3.683 73 3HD1 LEU 7 2HD1 LEU 7 4.713 -8.395 -2.362 74 1HD2 LEU 7 3HD2 LEU 7 5.384 -6.738 -5.163 75 2HD2 LEU 7 1HD2 LEU 7 7.078 -6.464 -4.686 76 3HD2 LEU 7 2HD2 LEU 7 6.328 -8.067 -4.452 77 QB LEU 7 QB LEU 7 4.842 -4.829 -3.070 78 QD1 LEU 7 QD1 LEU 7 4.128 -7.631 -2.703 79 QD2 LEU 7 QD2 LEU 7 6.263 -7.089 -4.767 80 QQD LEU 7 QQD LEU 7 5.196 -7.360 -3.735 81 HA PRO 8 HA PRO 8 6.965 -0.151 -3.252 82 1HB PRO 8 2HB PRO 8 7.127 0.620 -5.877 83 2HB PRO 8 3HB PRO 8 8.422 -0.302 -5.071 84 1HG PRO 8 2HG PRO 8 6.134 -1.428 -6.733 85 2HG PRO 8 3HG PRO 8 7.889 -1.664 -7.002 86 1HD PRO 8 2HD PRO 8 6.447 -3.486 -5.582 87 2HD PRO 8 3HD PRO 8 8.093 -3.007 -5.062 88 QB PRO 8 QB PRO 8 7.775 0.159 -5.474 89 QG PRO 8 QG PRO 8 7.011 -1.546 -6.867 90 QD PRO 8 QD PRO 8 7.270 -3.246 -5.322 91 H LEU 9 HN LEU 9 5.878 1.788 -4.689 92 HA LEU 9 HA LEU 9 3.176 1.800 -3.865 93 1HB LEU 9 2HB LEU 9 4.541 3.827 -3.989 94 2HB LEU 9 3HB LEU 9 4.629 3.710 -5.735 95 HG LEU 9 HG LEU 9 2.347 4.211 -6.032 96 1HD1 LEU 9 2HD1 LEU 9 1.855 3.705 -3.065 97 2HD1 LEU 9 3HD1 LEU 9 0.712 4.470 -4.160 98 3HD1 LEU 9 1HD1 LEU 9 1.177 2.794 -4.415 99 1HD2 LEU 9 1HD2 LEU 9 3.717 6.143 -5.372 100 2HD2 LEU 9 2HD2 LEU 9 2.022 6.335 -4.893 101 3HD2 LEU 9 3HD2 LEU 9 3.240 5.902 -3.673 102 QB LEU 9 QB LEU 9 4.585 3.768 -4.862 103 QD1 LEU 9 QD1 LEU 9 1.248 3.657 -3.880 104 QD2 LEU 9 QD2 LEU 9 2.993 6.127 -4.646 105 QQD LEU 9 QQD LEU 9 2.120 4.892 -4.263 106 NH1 ARG 10 NH2 ARG 10 2.754 -2.690 -11.666 107 NH2 ARG 10 NH1 ARG 10 1.183 -4.337 -12.113 108 H ARG 10 HN ARG 10 2.450 -0.081 -4.882 109 HA ARG 10 HA ARG 10 1.978 -0.001 -7.744 110 1HB ARG 10 2HB ARG 10 2.721 -1.937 -6.384 111 2HB ARG 10 3HB ARG 10 1.121 -1.957 -5.598 112 1HG ARG 10 2HG ARG 10 1.314 -3.694 -7.336 113 2HG ARG 10 3HG ARG 10 0.094 -2.474 -7.696 114 1HD ARG 10 2HD ARG 10 1.621 -1.415 -9.344 115 2HD ARG 10 3HD ARG 10 2.889 -2.592 -8.893 116 HE ARG 10 HE ARG 10 0.432 -3.874 -9.756 117 1HH1 ARG 10 2HH2 ARG 10 3.155 -2.028 -11.019 118 2HH1 ARG 10 1HH2 ARG 10 3.134 -2.743 -12.600 119 1HH2 ARG 10 2HH1 ARG 10 0.423 -4.927 -11.799 120 2HH2 ARG 10 1HH1 ARG 10 1.524 -4.450 -13.057 121 QB ARG 10 QB ARG 10 1.921 -1.947 -5.991 122 QG ARG 10 QG ARG 10 0.704 -3.084 -7.516 123 QD ARG 10 QD ARG 10 2.255 -2.003 -9.118 124 QH1 ARG 10 QH2 ARG 10 3.144 -2.385 -11.810 125 QH2 ARG 10 QH1 ARG 10 0.974 -4.688 -12.428 126 H ILE 11 HN ILE 11 0.733 2.011 -7.607 127 HA ILE 11 HA ILE 11 -1.963 2.137 -6.648 128 HB ILE 11 HB ILE 11 -0.764 3.341 -9.182 129 1HG1 ILE 11 2HG1 ILE 11 -1.045 4.402 -6.338 130 2HG1 ILE 11 3HG1 ILE 11 0.458 4.046 -7.201 131 1HG2 ILE 11 2HG2 ILE 11 -3.263 3.306 -9.225 132 2HG2 ILE 11 3HG2 ILE 11 -3.292 4.086 -7.642 133 3HG2 ILE 11 1HG2 ILE 11 -2.659 4.942 -9.052 134 1HD1 ILE 11 3HD1 ILE 11 -0.123 5.864 -8.843 135 2HD1 ILE 11 1HD1 ILE 11 -1.479 6.312 -7.775 136 3HD1 ILE 11 2HD1 ILE 11 0.178 6.412 -7.181 137 QG1 ILE 11 QG1 ILE 11 -0.294 4.224 -6.769 138 QG2 ILE 11 QG2 ILE 11 -3.072 4.111 -8.640 139 QD1 ILE 11 QD1 ILE 11 -0.475 6.196 -7.933 140 H GLY 12 HN GLY 12 -0.457 0.712 -9.506 141 1HA GLY 12 1HA GLY 12 -1.128 -1.105 -10.745 142 2HA GLY 12 2HA GLY 12 -2.723 -1.125 -9.979 143 QA GLY 12 QA GLY 12 -1.926 -1.115 -10.362 144 HA PRO 13 HA PRO 13 -2.187 1.131 -14.124 145 1HB PRO 13 2HB PRO 13 -3.276 -0.563 -15.976 146 2HB PRO 13 3HB PRO 13 -1.637 -0.774 -15.305 147 1HG PRO 13 2HG PRO 13 -4.192 -2.117 -14.364 148 2HG PRO 13 3HG PRO 13 -2.644 -2.904 -14.798 149 1HD PRO 13 2HD PRO 13 -3.228 -2.325 -12.217 150 2HD PRO 13 3HD PRO 13 -1.575 -2.064 -12.843 151 QB PRO 13 QB PRO 13 -2.457 -0.669 -15.641 152 QG PRO 13 QG PRO 13 -3.418 -2.511 -14.581 153 QD PRO 13 QD PRO 13 -2.402 -2.195 -12.530 154 H CYS 14 HN CYS 14 -5.119 0.292 -12.378 155 HA CYS 14 HA CYS 14 -6.839 1.191 -14.593 156 1HB CYS 14 2HB CYS 14 -7.133 -0.225 -12.025 157 2HB CYS 14 3HB CYS 14 -8.466 0.785 -12.470 158 QB CYS 14 QB CYS 14 -7.799 0.280 -12.247 159 H LYS 15 HN LYS 15 -8.518 2.759 -14.069 160 HA LYS 15 HA LYS 15 -7.207 5.189 -12.894 161 1HB LYS 15 2HB LYS 15 -8.543 6.461 -14.506 162 2HB LYS 15 3HB LYS 15 -7.357 5.390 -15.240 163 1HG LYS 15 2HG LYS 15 -10.112 4.257 -14.887 164 2HG LYS 15 3HG LYS 15 -9.984 5.587 -16.021 165 1HD LYS 15 2HD LYS 15 -8.138 3.160 -16.195 166 2HD LYS 15 3HD LYS 15 -9.738 3.215 -16.957 167 1HE LYS 15 2HE LYS 15 -9.045 5.274 -18.219 168 2HE LYS 15 3HE LYS 15 -7.426 5.146 -17.515 169 1HZ LYS 15 1HZ LYS 15 -7.201 3.004 -18.586 170 2HZ LYS 15 2HZ LYS 15 -8.704 3.140 -19.252 171 3HZ LYS 15 3HZ LYS 15 -7.513 4.185 -19.684 172 QB LYS 15 QB LYS 15 -7.950 5.925 -14.873 173 QG LYS 15 QG LYS 15 -10.048 4.922 -15.454 174 QD LYS 15 QD LYS 15 -8.938 3.188 -16.576 175 QE LYS 15 QE LYS 15 -8.235 5.210 -17.867 176 QZ LYS 15 QZ LYS 15 -7.806 3.443 -19.174 177 NH1 ARG 16 NH2 ARG 16 -14.111 3.762 -11.631 178 NH2 ARG 16 NH1 ARG 16 -14.292 5.700 -10.373 179 H ARG 16 HN ARG 16 -8.382 3.516 -11.205 180 HA ARG 16 HA ARG 16 -10.929 4.773 -10.341 181 1HB ARG 16 2HB ARG 16 -9.461 2.231 -9.729 182 2HB ARG 16 3HB ARG 16 -10.506 2.888 -8.470 183 1HG ARG 16 2HG ARG 16 -11.596 2.462 -11.264 184 2HG ARG 16 3HG ARG 16 -11.335 1.100 -10.172 185 1HD ARG 16 2HD ARG 16 -13.627 1.765 -9.863 186 2HD ARG 16 3HD ARG 16 -12.702 2.100 -8.418 187 HE ARG 16 HE ARG 16 -13.152 4.321 -8.601 188 1HH1 ARG 16 2HH2 ARG 16 -13.798 2.805 -11.704 189 2HH1 ARG 16 1HH2 ARG 16 -14.583 4.182 -12.417 190 1HH2 ARG 16 2HH1 ARG 16 -14.143 6.209 -9.512 191 2HH2 ARG 16 1HH1 ARG 16 -14.756 6.177 -11.131 192 QB ARG 16 QB ARG 16 -9.983 2.559 -9.099 193 QG ARG 16 QG ARG 16 -11.465 1.781 -10.718 194 QD ARG 16 QD ARG 16 -13.164 1.933 -9.140 195 QH1 ARG 16 QH2 ARG 16 -14.191 3.493 -12.060 196 QH2 ARG 16 QH1 ARG 16 -14.450 6.193 -10.322 197 H LYS 17 HN LYS 17 -10.824 4.987 -7.832 198 HA LYS 17 HA LYS 17 -8.301 6.054 -6.769 199 1HB LYS 17 2HB LYS 17 -10.856 7.662 -7.240 200 2HB LYS 17 3HB LYS 17 -9.676 8.123 -6.021 201 1HG LYS 17 2HG LYS 17 -8.939 7.839 -8.970 202 2HG LYS 17 3HG LYS 17 -9.566 9.326 -8.243 203 1HD LYS 17 2HD LYS 17 -7.710 9.285 -6.569 204 2HD LYS 17 3HD LYS 17 -7.070 7.826 -7.329 205 1HE LYS 17 2HE LYS 17 -5.755 9.677 -8.037 206 2HE LYS 17 3HE LYS 17 -6.667 9.073 -9.433 207 1HZ LYS 17 2HZ LYS 17 -7.390 11.407 -7.772 208 2HZ LYS 17 3HZ LYS 17 -6.673 11.487 -9.251 209 3HZ LYS 17 1HZ LYS 17 -8.203 10.900 -9.113 210 QB LYS 17 QB LYS 17 -10.266 7.892 -6.631 211 QG LYS 17 QG LYS 17 -9.253 8.583 -8.606 212 QD LYS 17 QD LYS 17 -7.390 8.556 -6.949 213 QE LYS 17 QE LYS 17 -6.211 9.375 -8.735 214 QZ LYS 17 QZ LYS 17 -7.422 11.264 -8.712 215 H ILE 18 HN ILE 18 -8.348 4.415 -5.237 216 HA ILE 18 HA ILE 18 -10.689 4.412 -3.379 217 HB ILE 18 HB ILE 18 -8.946 2.056 -4.115 218 1HG1 ILE 18 2HG1 ILE 18 -11.868 2.660 -4.770 219 2HG1 ILE 18 3HG1 ILE 18 -10.519 2.675 -5.922 220 1HG2 ILE 18 3HG2 ILE 18 -11.365 2.313 -2.263 221 2HG2 ILE 18 1HG2 ILE 18 -10.540 0.794 -2.662 222 3HG2 ILE 18 2HG2 ILE 18 -9.694 2.025 -1.740 223 1HD1 ILE 18 2HD1 ILE 18 -10.079 0.249 -5.331 224 2HD1 ILE 18 3HD1 ILE 18 -11.657 0.252 -4.506 225 3HD1 ILE 18 1HD1 ILE 18 -11.562 0.590 -6.237 226 QG1 ILE 18 QG1 ILE 18 -11.193 2.667 -5.346 227 QG2 ILE 18 QG2 ILE 18 -10.533 1.711 -2.222 228 QD1 ILE 18 QD1 ILE 18 -11.099 0.364 -5.358 229 HA PRO 19 HA PRO 19 -7.130 6.121 -1.146 230 1HB PRO 19 2HB PRO 19 -8.364 6.729 1.249 231 2HB PRO 19 3HB PRO 19 -8.443 7.735 -0.226 232 1HG PRO 19 2HG PRO 19 -10.457 5.686 0.723 233 2HG PRO 19 3HG PRO 19 -10.772 7.356 0.163 234 1HD PRO 19 2HD PRO 19 -11.090 5.249 -1.463 235 2HD PRO 19 3HD PRO 19 -10.341 6.741 -2.117 236 QB PRO 19 QB PRO 19 -8.403 7.232 0.511 237 QG PRO 19 QG PRO 19 -10.614 6.521 0.443 238 QD PRO 19 QD PRO 19 -10.715 5.995 -1.790 239 H SER 20 HN SER 20 -5.594 4.858 -0.230 240 HA SER 20 HA SER 20 -6.298 2.785 1.752 241 1HB SER 20 2HB SER 20 -4.479 2.140 -0.603 242 2HB SER 20 3HB SER 20 -5.125 1.039 0.617 243 HG SER 20 HG SER 20 -6.742 2.472 -1.219 244 QB SER 20 QB SER 20 -4.802 1.590 0.007 245 H PHE 21 HN PHE 21 -4.097 1.820 2.452 246 HA PHE 21 HA PHE 21 -1.927 3.837 2.541 247 1HB PHE 21 2HB PHE 21 -2.925 2.059 4.798 248 2HB PHE 21 3HB PHE 21 -1.443 3.005 4.850 249 HD1 PHE 21 2HD PHE 21 -5.157 3.230 4.705 250 HD2 PHE 21 1HD PHE 21 -1.491 5.422 5.206 251 HE1 PHE 21 2HE PHE 21 -6.421 5.104 5.714 252 HE2 PHE 21 1HE PHE 21 -2.751 7.308 6.215 253 HZ PHE 21 HZ PHE 21 -5.215 7.140 6.496 254 QB PHE 21 QB PHE 21 -2.184 2.532 4.824 255 QR PHE 21 QR PHE 21 -3.955 5.266 5.460 256 OH TYR 22 OH TYR 22 4.713 4.577 -1.741 257 H TYR 22 HN TYR 22 0.163 2.922 2.321 258 HA TYR 22 HA TYR 22 0.419 -0.005 2.268 259 1HB TYR 22 2HB TYR 22 1.436 -0.094 0.234 260 2HB TYR 22 3HB TYR 22 0.067 0.901 -0.170 261 HD1 TYR 22 HD2 TYR 22 0.817 3.621 0.349 262 HD2 TYR 22 HD1 TYR 22 3.352 0.341 -0.882 263 HE1 TYR 22 HE2 TYR 22 2.460 5.220 -0.565 264 HE2 TYR 22 HE1 TYR 22 4.983 1.940 -1.783 265 HH TYR 22 HH TYR 22 5.432 4.136 -2.195 266 QB TYR 22 QB TYR 22 0.751 0.404 0.032 267 QR TYR 22 QR TYR 22 2.903 2.780 -0.720 268 OH TYR 23 OH TYR 23 9.375 0.431 7.180 269 H TYR 23 HN TYR 23 2.833 -0.510 2.185 270 HA TYR 23 HA TYR 23 4.276 1.424 3.937 271 1HB TYR 23 2HB TYR 23 3.976 -0.963 4.628 272 2HB TYR 23 3HB TYR 23 5.019 -1.421 3.294 273 HD1 TYR 23 HD1 TYR 23 7.398 -0.661 3.245 274 HD2 TYR 23 HD2 TYR 23 4.893 -0.119 6.685 275 HE1 TYR 23 HE1 TYR 23 9.398 -0.285 4.661 276 HE2 TYR 23 HE2 TYR 23 6.870 0.440 8.059 277 HH TYR 23 HH TYR 23 9.178 0.817 8.036 278 QB TYR 23 QB TYR 23 4.497 -1.192 3.961 279 QR TYR 23 QR TYR 23 7.140 -0.156 5.663 280 H LYS 24 HN LYS 24 5.565 2.900 2.889 281 HA LYS 24 HA LYS 24 6.530 2.205 0.168 282 1HB LYS 24 2HB LYS 24 5.702 4.446 0.565 283 2HB LYS 24 3HB LYS 24 6.914 4.741 1.802 284 1HG LYS 24 2HG LYS 24 8.691 4.773 0.244 285 2HG LYS 24 3HG LYS 24 7.827 3.780 -0.916 286 1HD LYS 24 2HD LYS 24 7.222 5.498 -2.092 287 2HD LYS 24 3HD LYS 24 6.319 6.198 -0.763 288 1HE LYS 24 2HE LYS 24 9.329 6.650 -0.927 289 2HE LYS 24 3HE LYS 24 8.263 7.476 -2.061 290 1HZ LYS 24 2HZ LYS 24 7.033 8.397 -0.245 291 2HZ LYS 24 3HZ LYS 24 8.019 7.681 0.855 292 3HZ LYS 24 1HZ LYS 24 8.617 8.826 -0.169 293 QB LYS 24 QB LYS 24 6.308 4.594 1.184 294 QG LYS 24 QG LYS 24 8.259 4.277 -0.336 295 QD LYS 24 QD LYS 24 6.770 5.848 -1.428 296 QE LYS 24 QE LYS 24 8.796 7.063 -1.494 297 QZ LYS 24 QZ LYS 24 7.890 8.301 0.147 298 CH2 TRP 25 CH2 TRP 25 12.754 -4.420 3.859 299 H TRP 25 HN TRP 25 7.846 0.413 0.706 300 HA TRP 25 HA TRP 25 9.902 0.181 2.536 301 1HB TRP 25 2HB TRP 25 9.179 -1.487 0.883 302 2HB TRP 25 3HB TRP 25 10.010 -0.609 -0.395 303 HD1 TRP 25 HD1 TRP 25 12.525 -1.079 -0.745 304 HE1 TRP 25 HE1 TRP 25 14.312 -2.493 0.357 305 HE3 TRP 25 HE3 TRP 25 9.783 -2.906 3.150 306 HZ2 TRP 25 HZ2 TRP 25 14.563 -4.180 2.700 307 HZ3 TRP 25 HZ3 TRP 25 10.793 -4.489 4.761 308 HH2 TRP 25 HH2 TRP 25 13.201 -5.101 4.571 309 QB TRP 25 QB TRP 25 9.595 -1.048 0.244 310 H LYS 26 HN LYS 26 9.985 1.984 -0.515 311 HA LYS 26 HA LYS 26 12.742 2.687 -0.392 312 1HB LYS 26 2HB LYS 26 11.156 2.571 -2.353 313 2HB LYS 26 3HB LYS 26 10.530 4.150 -1.878 314 1HG LYS 26 2HG LYS 26 12.660 5.198 -2.268 315 2HG LYS 26 3HG LYS 26 13.509 3.660 -2.402 316 1HD LYS 26 2HD LYS 26 11.285 4.526 -4.304 317 2HD LYS 26 3HD LYS 26 12.966 4.946 -4.598 318 1HE LYS 26 2HE LYS 26 11.982 2.051 -4.334 319 2HE LYS 26 3HE LYS 26 12.083 2.923 -5.861 320 1HZ LYS 26 3HZ LYS 26 14.388 2.429 -4.101 321 2HZ LYS 26 1HZ LYS 26 14.001 1.558 -5.440 322 3HZ LYS 26 2HZ LYS 26 14.417 3.138 -5.589 323 QB LYS 26 QB LYS 26 10.843 3.360 -2.115 324 QG LYS 26 QG LYS 26 13.085 4.429 -2.335 325 QD LYS 26 QD LYS 26 12.126 4.736 -4.451 326 QE LYS 26 QE LYS 26 12.032 2.487 -5.097 327 QZ LYS 26 QZ LYS 26 14.269 2.375 -5.044 328 H ALA 27 HN ALA 27 10.211 3.802 1.569 329 HA ALA 27 HA ALA 27 11.796 6.184 2.439 330 1HB ALA 27 2HB ALA 27 9.611 6.806 1.596 331 2HB ALA 27 3HB ALA 27 8.815 5.670 2.715 332 3HB ALA 27 1HB ALA 27 9.711 7.072 3.343 333 QB ALA 27 QB ALA 27 9.379 6.516 2.551 334 H LYS 28 HN LYS 28 10.292 3.128 3.312 335 HA LYS 28 HA LYS 28 10.464 1.765 5.057 336 1HB LYS 28 2HB LYS 28 12.451 3.711 6.306 337 2HB LYS 28 3HB LYS 28 12.005 2.147 6.935 338 1HG LYS 28 2HG LYS 28 13.107 0.944 5.423 339 2HG LYS 28 3HG LYS 28 12.804 2.022 4.087 340 1HD LYS 28 2HD LYS 28 14.876 2.664 6.235 341 2HD LYS 28 3HD LYS 28 15.198 1.676 4.823 342 1HE LYS 28 2HE LYS 28 15.946 3.773 4.173 343 2HE LYS 28 3HE LYS 28 14.416 3.577 3.319 344 1HZ LYS 28 2HZ LYS 28 14.814 5.129 5.804 345 2HZ LYS 28 3HZ LYS 28 14.685 5.760 4.295 346 3HZ LYS 28 1HZ LYS 28 13.393 5.018 4.979 347 QB LYS 28 QB LYS 28 12.228 2.929 6.620 348 QG LYS 28 QG LYS 28 12.956 1.483 4.755 349 QD LYS 28 QD LYS 28 15.037 2.170 5.529 350 QE LYS 28 QE LYS 28 15.181 3.675 3.746 351 QZ LYS 28 QZ LYS 28 14.297 5.302 5.026 352 H GLN 29 HN GLN 29 8.178 3.166 4.789 353 HA GLN 29 HA GLN 29 7.202 3.252 7.475 354 1HB GLN 29 2HB GLN 29 6.424 5.637 7.391 355 2HB GLN 29 3HB GLN 29 8.172 5.430 7.596 356 1HG GLN 29 2HG GLN 29 8.465 5.876 5.136 357 2HG GLN 29 3HG GLN 29 6.732 6.204 5.036 358 1HE2 GLN 29 2HE2 GLN 29 9.314 8.957 6.637 359 2HE2 GLN 29 1HE2 GLN 29 9.861 7.351 6.173 360 QB GLN 29 QB GLN 29 7.298 5.533 7.493 361 QG GLN 29 QG GLN 29 7.598 6.040 5.086 362 QE2 GLN 29 QE2 GLN 29 9.588 8.154 6.405 363 H CYS 30 HN CYS 30 4.884 3.708 7.586 364 HA CYS 30 HA CYS 30 3.380 2.751 5.237 365 1HB CYS 30 2HB CYS 30 2.540 3.498 8.031 366 2HB CYS 30 3HB CYS 30 1.453 2.912 6.776 367 QB CYS 30 QB CYS 30 1.997 3.205 7.404 368 H LEU 31 HN LEU 31 2.165 4.069 3.921 369 HA LEU 31 HA LEU 31 1.736 6.906 4.682 370 1HB LEU 31 2HB LEU 31 2.778 5.892 2.004 371 2HB LEU 31 3HB LEU 31 2.457 7.577 2.402 372 HG LEU 31 HG LEU 31 4.718 5.850 3.528 373 1HD1 LEU 31 1HD1 LEU 31 4.855 6.578 1.125 374 2HD1 LEU 31 2HD1 LEU 31 4.727 8.262 1.668 375 3HD1 LEU 31 3HD1 LEU 31 6.125 7.274 2.156 376 1HD2 LEU 31 1HD2 LEU 31 3.928 8.753 4.073 377 2HD2 LEU 31 2HD2 LEU 31 4.273 7.478 5.263 378 3HD2 LEU 31 3HD2 LEU 31 5.575 8.141 4.276 379 QB LEU 31 QB LEU 31 2.618 6.734 2.203 380 QD1 LEU 31 QD1 LEU 31 5.236 7.371 1.650 381 QD2 LEU 31 QD2 LEU 31 4.592 8.124 4.537 382 QQD LEU 31 QQD LEU 31 4.914 7.748 3.094 383 HA PRO 32 HA PRO 32 -2.221 6.112 2.626 384 1HB PRO 32 2HB PRO 32 -3.052 8.643 2.079 385 2HB PRO 32 3HB PRO 32 -2.953 8.038 3.753 386 1HG PRO 32 2HG PRO 32 -0.858 9.642 2.245 387 2HG PRO 32 3HG PRO 32 -1.558 10.017 3.847 388 1HD PRO 32 2HD PRO 32 0.797 8.716 3.623 389 2HD PRO 32 3HD PRO 32 -0.387 8.198 4.861 390 QB PRO 32 QB PRO 32 -3.002 8.340 2.916 391 QG PRO 32 QG PRO 32 -1.208 9.830 3.046 392 QD PRO 32 QD PRO 32 0.205 8.457 4.242 393 H PHE 33 HN PHE 33 -3.181 6.261 0.464 394 HA PHE 33 HA PHE 33 -2.155 7.925 -1.596 395 1HB PHE 33 2HB PHE 33 -1.154 6.357 -3.065 396 2HB PHE 33 3HB PHE 33 -0.313 6.154 -1.548 397 HD1 PHE 33 2HD PHE 33 -1.579 4.282 0.094 398 HD2 PHE 33 1HD PHE 33 -1.655 4.399 -4.210 399 HE1 PHE 33 2HE PHE 33 -2.016 1.846 0.008 400 HE2 PHE 33 1HE PHE 33 -1.827 1.940 -4.276 401 HZ PHE 33 HZ PHE 33 -1.927 0.652 -2.113 402 QB PHE 33 QB PHE 33 -0.734 6.255 -2.306 403 QR PHE 33 QR PHE 33 -1.769 3.117 -2.096 404 H ASP 34 HN ASP 34 -3.217 6.934 -3.841 405 HA ASP 34 HA ASP 34 -5.921 5.830 -3.193 406 1HB ASP 34 2HB ASP 34 -4.884 7.637 -5.389 407 2HB ASP 34 3HB ASP 34 -6.100 6.416 -5.769 408 QB ASP 34 QB ASP 34 -5.492 7.026 -5.579 409 OH TYR 35 OH TYR 35 -5.485 -3.785 -6.959 410 H TYR 35 HN TYR 35 -6.103 3.728 -3.631 411 HA TYR 35 HA TYR 35 -4.221 2.361 -5.455 412 1HB TYR 35 2HB TYR 35 -5.030 1.222 -3.432 413 2HB TYR 35 3HB TYR 35 -6.698 1.450 -3.938 414 HD1 TYR 35 HD1 TYR 35 -3.694 0.220 -5.857 415 HD2 TYR 35 HD2 TYR 35 -7.574 -0.736 -4.283 416 HE1 TYR 35 HE1 TYR 35 -3.703 -1.869 -7.173 417 HE2 TYR 35 HE2 TYR 35 -7.372 -3.025 -5.257 418 HH TYR 35 HH TYR 35 -6.365 -4.152 -7.115 419 QB TYR 35 QB TYR 35 -5.864 1.336 -3.685 420 QR TYR 35 QR TYR 35 -5.586 -1.353 -5.642 421 H SER 36 HN SER 36 -5.038 1.365 -7.442 422 HA SER 36 HA SER 36 -7.356 2.735 -8.617 423 1HB SER 36 2HB SER 36 -6.902 1.494 -10.558 424 2HB SER 36 3HB SER 36 -5.393 2.219 -10.001 425 HG SER 36 HG SER 36 -4.685 0.230 -9.346 426 QB SER 36 QB SER 36 -6.147 1.857 -10.279 427 H GLY 37 HN GLY 37 -6.576 -0.703 -8.517 428 1HA GLY 37 1HA GLY 37 -8.676 -1.889 -7.036 429 2HA GLY 37 2HA GLY 37 -9.361 -1.407 -8.592 430 QA GLY 37 QA GLY 37 -9.019 -1.648 -7.814 431 H CYS 38 HN CYS 38 -7.166 -1.664 -10.241 432 HA CYS 38 HA CYS 38 -7.159 -4.584 -10.636 433 1HB CYS 38 2HB CYS 38 -6.174 -2.363 -12.434 434 2HB CYS 38 3HB CYS 38 -6.570 -4.013 -12.916 435 QB CYS 38 QB CYS 38 -6.372 -3.188 -12.675 436 H GLY 39 HN GLY 39 -5.214 -5.734 -10.959 437 1HA GLY 39 1HA GLY 39 -3.005 -6.309 -10.790 438 2HA GLY 39 2HA GLY 39 -2.751 -4.744 -11.565 439 QA GLY 39 QA GLY 39 -2.878 -5.526 -11.178 440 H GLY 40 HN GLY 40 -3.997 -4.907 -8.220 441 1HA GLY 40 1HA GLY 40 -1.696 -3.469 -7.250 442 2HA GLY 40 2HA GLY 40 -3.039 -4.003 -6.285 443 QA GLY 40 QA GLY 40 -2.368 -3.736 -6.767 444 H ASN 41 HN ASN 41 -0.313 -4.169 -5.597 445 HA ASN 41 HA ASN 41 0.267 -7.063 -5.354 446 1HB ASN 41 2HB ASN 41 2.250 -6.302 -4.119 447 2HB ASN 41 3HB ASN 41 2.146 -5.605 -5.732 448 1HD2 ASN 41 2HD2 ASN 41 3.066 -2.563 -4.210 449 2HD2 ASN 41 1HD2 ASN 41 3.583 -3.944 -5.144 450 QB ASN 41 QB ASN 41 2.198 -5.954 -4.926 451 QD2 ASN 41 QD2 ASN 41 3.324 -3.253 -4.677 452 H ALA 42 HN ALA 42 1.050 -7.540 -2.890 453 HA ALA 42 HA ALA 42 -1.380 -7.433 -1.270 454 1HB ALA 42 3HB ALA 42 1.410 -8.532 -0.726 455 2HB ALA 42 1HB ALA 42 0.006 -8.751 0.331 456 3HB ALA 42 2HB ALA 42 0.015 -9.457 -1.296 457 QB ALA 42 QB ALA 42 0.477 -8.913 -0.564 458 H ASN 43 HN ASN 43 1.169 -5.172 -1.629 459 HA ASN 43 HA ASN 43 1.292 -4.420 1.185 460 1HB ASN 43 2HB ASN 43 3.143 -4.183 -0.611 461 2HB ASN 43 3HB ASN 43 2.274 -2.756 -1.171 462 1HD2 ASN 43 2HD2 ASN 43 4.820 -1.443 1.077 463 2HD2 ASN 43 1HD2 ASN 43 4.764 -2.284 -0.436 464 QB ASN 43 QB ASN 43 2.709 -3.469 -0.891 465 QD2 ASN 43 QD2 ASN 43 4.792 -1.863 0.321 466 NH1 ARG 44 NH2 ARG 44 -2.165 -0.949 -4.014 467 NH2 ARG 44 NH1 ARG 44 -1.527 -3.151 -3.898 468 H ARG 44 HN ARG 44 -1.247 -4.315 1.189 469 HA ARG 44 HA ARG 44 -2.027 -1.473 0.748 470 1HB ARG 44 2HB ARG 44 -2.247 -2.901 -1.310 471 2HB ARG 44 3HB ARG 44 -3.620 -3.713 -0.555 472 1HG ARG 44 2HG ARG 44 -4.772 -1.511 -0.292 473 2HG ARG 44 3HG ARG 44 -3.350 -0.691 -0.938 474 1HD ARG 44 2HD ARG 44 -5.493 -2.170 -2.394 475 2HD ARG 44 3HD ARG 44 -4.598 -0.734 -2.809 476 HE ARG 44 HE ARG 44 -3.897 -3.556 -3.288 477 1HH1 ARG 44 2HH2 ARG 44 -2.883 -0.260 -3.865 478 2HH1 ARG 44 1HH2 ARG 44 -1.404 -0.724 -4.657 479 1HH2 ARG 44 2HH1 ARG 44 -1.764 -4.114 -3.668 480 2HH2 ARG 44 1HH1 ARG 44 -0.541 -2.918 -3.793 481 QB ARG 44 QB ARG 44 -2.934 -3.307 -0.932 482 QG ARG 44 QG ARG 44 -4.061 -1.101 -0.615 483 QD ARG 44 QD ARG 44 -5.045 -1.452 -2.601 484 QH1 ARG 44 QH2 ARG 44 -2.143 -0.492 -4.261 485 QH2 ARG 44 QH1 ARG 44 -1.152 -3.516 -3.731 486 H PHE 45 HN PHE 45 -3.207 -0.760 2.361 487 HA PHE 45 HA PHE 45 -5.023 -2.546 3.939 488 1HB PHE 45 2HB PHE 45 -2.939 -0.631 5.002 489 2HB PHE 45 3HB PHE 45 -4.044 -1.617 5.936 490 HD1 PHE 45 2HD PHE 45 -3.939 -4.211 5.585 491 HD2 PHE 45 1HD PHE 45 -0.886 -1.585 4.085 492 HE1 PHE 45 2HE PHE 45 -2.447 -6.145 5.245 493 HE2 PHE 45 1HE PHE 45 0.625 -3.514 3.775 494 HZ PHE 45 HZ PHE 45 -0.169 -5.816 4.348 495 QB PHE 45 QB PHE 45 -3.491 -1.124 5.469 496 QR PHE 45 QR PHE 45 -1.662 -3.864 4.672 497 H LYS 46 HN LYS 46 -6.847 -1.642 4.553 498 HA LYS 46 HA LYS 46 -7.708 0.843 3.379 499 1HB LYS 46 2HB LYS 46 -9.710 0.515 4.830 500 2HB LYS 46 3HB LYS 46 -9.361 -0.827 3.736 501 1HG LYS 46 2HG LYS 46 -8.579 -2.238 5.507 502 2HG LYS 46 3HG LYS 46 -8.413 -0.881 6.627 503 1HD LYS 46 2HD LYS 46 -10.905 -0.543 6.502 504 2HD LYS 46 3HD LYS 46 -11.014 -2.025 5.527 505 1HE LYS 46 2HE LYS 46 -10.090 -3.359 7.375 506 2HE LYS 46 3HE LYS 46 -9.738 -1.900 8.315 507 1HZ LYS 46 2HZ LYS 46 -12.091 -1.478 8.453 508 2HZ LYS 46 3HZ LYS 46 -12.434 -2.850 7.607 509 3HZ LYS 46 1HZ LYS 46 -11.716 -2.945 9.085 510 QB LYS 46 QB LYS 46 -9.535 -0.156 4.283 511 QG LYS 46 QG LYS 46 -8.496 -1.559 6.067 512 QD LYS 46 QD LYS 46 -10.960 -1.284 6.015 513 QE LYS 46 QE LYS 46 -9.914 -2.629 7.845 514 QZ LYS 46 QZ LYS 46 -12.080 -2.424 8.382 515 H THR 47 HN THR 47 -6.056 0.041 6.349 516 HA THR 47 HA THR 47 -6.520 2.780 7.486 517 HB THR 47 HB THR 47 -6.024 1.549 9.650 518 HG1 THR 47 1HG THR 47 -6.535 -0.843 9.263 519 1HG2 THR 47 2HG2 THR 47 -8.531 0.711 8.167 520 2HG2 THR 47 3HG2 THR 47 -8.233 0.468 9.902 521 3HG2 THR 47 1HG2 THR 47 -8.316 2.107 9.235 522 QG2 THR 47 QG2 THR 47 -8.360 1.096 9.101 523 H ILE 48 HN ILE 48 -4.678 3.669 8.541 524 HA ILE 48 HA ILE 48 -2.027 2.742 7.654 525 HB ILE 48 HB ILE 48 -2.659 5.199 8.279 526 1HG1 ILE 48 2HG1 ILE 48 -0.480 5.477 9.727 527 2HG1 ILE 48 3HG1 ILE 48 -0.227 3.757 9.387 528 1HG2 ILE 48 2HG2 ILE 48 -3.885 4.645 10.347 529 2HG2 ILE 48 3HG2 ILE 48 -2.347 4.181 11.123 530 3HG2 ILE 48 1HG2 ILE 48 -2.614 5.848 10.580 531 1HD1 ILE 48 1HD1 ILE 48 -0.380 4.290 6.937 532 2HD1 ILE 48 2HD1 ILE 48 -0.598 6.008 7.366 533 3HD1 ILE 48 3HD1 ILE 48 0.914 5.187 7.760 534 QG1 ILE 48 QG1 ILE 48 -0.354 4.617 9.557 535 QG2 ILE 48 QG2 ILE 48 -2.949 4.891 10.683 536 QD1 ILE 48 QD1 ILE 48 -0.022 5.162 7.354 537 H GLU 49 HN GLU 49 -4.186 2.254 10.472 538 HA GLU 49 HA GLU 49 -2.212 1.056 12.039 539 1HB GLU 49 2HB GLU 49 -5.235 0.519 11.825 540 2HB GLU 49 3HB GLU 49 -4.205 -0.092 13.130 541 1HG GLU 49 2HG GLU 49 -5.342 1.829 13.967 542 2HG GLU 49 3HG GLU 49 -3.630 2.238 13.780 543 QB GLU 49 QB GLU 49 -4.720 0.213 12.478 544 QG GLU 49 QG GLU 49 -4.486 2.033 13.873 545 H GLU 50 HN GLU 50 -4.309 -0.593 9.569 546 HA GLU 50 HA GLU 50 -3.239 -3.164 10.316 547 1HB GLU 50 2HB GLU 50 -4.747 -2.102 7.932 548 2HB GLU 50 3HB GLU 50 -3.846 -3.597 7.767 549 1HG GLU 50 2HG GLU 50 -6.196 -3.996 8.250 550 2HG GLU 50 3HG GLU 50 -5.101 -4.724 9.411 551 QB GLU 50 QB GLU 50 -4.296 -2.849 7.850 552 QG GLU 50 QG GLU 50 -5.648 -4.360 8.830 553 H CYS 51 HN CYS 51 -2.069 -0.615 8.038 554 HA CYS 51 HA CYS 51 0.109 -2.240 7.074 555 1HB CYS 51 2HB CYS 51 -0.531 -0.198 5.874 556 2HB CYS 51 3HB CYS 51 -0.039 0.805 7.248 557 QB CYS 51 QB CYS 51 -0.285 0.303 6.561 558 NH1 ARG 52 NH2 ARG 52 1.590 5.521 14.079 559 NH2 ARG 52 NH1 ARG 52 1.582 6.137 11.844 560 H ARG 52 HN ARG 52 -0.069 0.224 9.691 561 HA ARG 52 HA ARG 52 2.647 0.063 10.393 562 1HB ARG 52 2HB ARG 52 0.947 1.816 10.992 563 2HB ARG 52 3HB ARG 52 0.299 0.723 12.226 564 1HG ARG 52 2HG ARG 52 2.460 0.693 13.387 565 2HG ARG 52 3HG ARG 52 3.216 1.645 12.098 566 1HD ARG 52 2HD ARG 52 0.932 2.602 13.882 567 2HD ARG 52 3HD ARG 52 2.658 2.974 14.107 568 HE ARG 52 HE ARG 52 1.777 3.663 11.449 569 1HH1 ARG 52 2HH2 ARG 52 1.608 4.793 14.778 570 2HH1 ARG 52 1HH2 ARG 52 1.510 6.480 14.381 571 1HH2 ARG 52 2HH1 ARG 52 1.620 5.895 10.865 572 2HH2 ARG 52 1HH1 ARG 52 1.491 7.111 12.089 573 QB ARG 52 QB ARG 52 0.623 1.270 11.609 574 QG ARG 52 QG ARG 52 2.838 1.169 12.742 575 QD ARG 52 QD ARG 52 1.795 2.788 13.994 576 QH1 ARG 52 QH2 ARG 52 1.559 5.637 14.579 577 QH2 ARG 52 QH1 ARG 52 1.555 6.503 11.477 578 NH1 ARG 53 NH2 ARG 53 -4.350 -5.402 11.843 579 NH2 ARG 53 NH1 ARG 53 -5.135 -5.972 13.935 580 H ARG 53 HN ARG 53 -0.152 -1.791 11.617 581 HA ARG 53 HA ARG 53 1.421 -3.091 13.669 582 1HB ARG 53 2HB ARG 53 -0.581 -4.160 14.285 583 2HB ARG 53 3HB ARG 53 -1.081 -2.596 13.645 584 1HG ARG 53 2HG ARG 53 -2.540 -3.755 12.484 585 2HG ARG 53 3HG ARG 53 -1.215 -4.059 11.376 586 1HD ARG 53 2HD ARG 53 -1.744 -6.282 11.653 587 2HD ARG 53 3HD ARG 53 -0.780 -6.138 13.104 588 HE ARG 53 HE ARG 53 -2.666 -6.502 14.356 589 1HH1 ARG 53 2HH2 ARG 53 -3.583 -5.315 11.198 590 2HH1 ARG 53 1HH2 ARG 53 -5.192 -4.856 11.636 591 1HH2 ARG 53 2HH1 ARG 53 -4.991 -6.296 14.879 592 2HH2 ARG 53 1HH1 ARG 53 -6.063 -5.700 13.642 593 QB ARG 53 QB ARG 53 -0.831 -3.378 13.965 594 QG ARG 53 QG ARG 53 -1.877 -3.907 11.930 595 QD ARG 53 QD ARG 53 -1.262 -6.210 12.378 596 QH1 ARG 53 QH2 ARG 53 -4.387 -5.086 11.417 597 QH2 ARG 53 QH1 ARG 53 -5.527 -5.998 14.260 598 H THR 54 HN THR 54 1.033 -3.679 10.257 599 HA THR 54 HA THR 54 1.796 -6.521 10.437 600 HB THR 54 HB THR 54 1.393 -4.644 8.068 601 HG1 THR 54 1HG THR 54 -0.533 -5.110 8.936 602 1HG2 THR 54 2HG2 THR 54 1.830 -7.657 8.127 603 2HG2 THR 54 3HG2 THR 54 1.354 -6.675 6.730 604 3HG2 THR 54 1HG2 THR 54 2.959 -6.457 7.439 605 QG2 THR 54 QG2 THR 54 2.047 -6.930 7.432 606 H CYS 55 HN CYS 55 3.223 -3.438 9.177 607 HA CYS 55 HA CYS 55 5.739 -4.877 8.661 608 1HB CYS 55 2HB CYS 55 4.863 -2.049 8.160 609 2HB CYS 55 3HB CYS 55 6.518 -2.598 7.906 610 QB CYS 55 QB CYS 55 5.690 -2.323 8.033 611 H VAL 56 HN VAL 56 4.446 -2.673 11.095 612 HA VAL 56 HA VAL 56 7.081 -2.393 12.444 613 HB VAL 56 HB VAL 56 4.726 -0.459 12.579 614 1HG1 VAL 56 1HG1 VAL 56 7.631 -0.167 13.348 615 2HG1 VAL 56 2HG1 VAL 56 6.486 1.185 13.208 616 3HG1 VAL 56 3HG1 VAL 56 6.196 -0.062 14.402 617 1HG2 VAL 56 2HG2 VAL 56 7.084 -0.335 10.668 618 2HG2 VAL 56 3HG2 VAL 56 5.365 -0.468 10.223 619 3HG2 VAL 56 1HG2 VAL 56 5.954 1.001 10.984 620 QG1 VAL 56 QG1 VAL 56 6.771 0.319 13.653 621 QG2 VAL 56 QG2 VAL 56 6.134 0.066 10.625 622 QQG VAL 56 QQG VAL 56 6.453 0.192 12.139 623 H GLY 57 HN GLY 57 6.649 -1.995 14.871 624 1HA GLY 57 1HA GLY 57 5.318 -2.340 16.829 625 2HA GLY 57 2HA GLY 57 4.360 -3.566 15.977 626 QA GLY 57 QA GLY 57 4.839 -2.953 16.403 Start of MODEL 11 Raw file had 626 H/Q atoms Start of MODEL 11 1 H ALA 1 HN ALA 1 5.604 -7.132 10.007 2 HA ALA 1 HA ALA 1 6.815 -6.409 7.973 3 1HB ALA 1 1HB ALA 1 8.880 -6.034 9.075 4 2HB ALA 1 2HB ALA 1 9.136 -7.794 9.212 5 3HB ALA 1 3HB ALA 1 9.052 -7.012 7.604 6 QB ALA 1 QB ALA 1 9.023 -6.947 8.631 7 H ALA 2 HN ALA 2 6.682 -7.514 6.104 8 HA ALA 2 HA ALA 2 6.516 -10.410 5.965 9 1HB ALA 2 3HB ALA 2 4.204 -9.689 6.748 10 2HB ALA 2 1HB ALA 2 4.119 -8.610 5.347 11 3HB ALA 2 2HB ALA 2 4.210 -10.368 5.111 12 QB ALA 2 QB ALA 2 4.177 -9.556 5.736 13 H LYS 3 HN LYS 3 6.564 -10.966 3.596 14 HA LYS 3 HA LYS 3 8.605 -9.381 2.585 15 1HB LYS 3 2HB LYS 3 7.179 -11.788 1.730 16 2HB LYS 3 3HB LYS 3 7.611 -10.838 0.324 17 1HG LYS 3 2HG LYS 3 9.898 -11.141 0.573 18 2HG LYS 3 3HG LYS 3 9.787 -11.169 2.337 19 1HD LYS 3 2HD LYS 3 8.499 -13.464 1.958 20 2HD LYS 3 3HD LYS 3 9.395 -13.457 0.433 21 1HE LYS 3 2HE LYS 3 11.527 -13.232 1.757 22 2HE LYS 3 3HE LYS 3 10.581 -13.157 3.255 23 1HZ LYS 3 2HZ LYS 3 9.804 -15.387 2.823 24 2HZ LYS 3 3HZ LYS 3 10.728 -15.487 1.464 25 3HZ LYS 3 1HZ LYS 3 11.438 -15.324 2.936 26 QB LYS 3 QB LYS 3 7.395 -11.313 1.027 27 QG LYS 3 QG LYS 3 9.843 -11.155 1.455 28 QD LYS 3 QD LYS 3 8.947 -13.461 1.196 29 QE LYS 3 QE LYS 3 11.054 -13.195 2.506 30 QZ LYS 3 QZ LYS 3 10.656 -15.399 2.407 31 OH TYR 4 OH TYR 4 1.055 -8.974 5.433 32 H TYR 4 HN TYR 4 5.225 -9.343 1.717 33 HA TYR 4 HA TYR 4 5.416 -7.701 -0.546 34 1HB TYR 4 2HB TYR 4 3.072 -7.101 -0.072 35 2HB TYR 4 3HB TYR 4 3.445 -8.825 -0.195 36 HD1 TYR 4 HD2 TYR 4 2.882 -6.141 2.396 37 HD2 TYR 4 HD1 TYR 4 2.651 -10.334 1.401 38 HE1 TYR 4 HE2 TYR 4 1.870 -6.629 4.602 39 HE2 TYR 4 HE1 TYR 4 1.532 -10.784 3.553 40 HH TYR 4 HH TYR 4 0.762 -9.881 5.544 41 QB TYR 4 QB TYR 4 3.259 -7.963 -0.134 42 QR TYR 4 QR TYR 4 2.234 -8.472 2.988 43 H CYS 5 HN CYS 5 5.748 -6.868 2.824 44 HA CYS 5 HA CYS 5 5.143 -4.109 2.785 45 1HB CYS 5 2HB CYS 5 5.734 -5.460 4.774 46 2HB CYS 5 3HB CYS 5 7.433 -5.454 4.276 47 QB CYS 5 QB CYS 5 6.583 -5.457 4.525 48 H LYS 6 HN LYS 6 7.947 -5.874 1.493 49 HA LYS 6 HA LYS 6 9.540 -3.562 0.988 50 1HB LYS 6 2HB LYS 6 10.327 -5.884 1.422 51 2HB LYS 6 3HB LYS 6 9.760 -6.351 -0.199 52 1HG LYS 6 2HG LYS 6 11.291 -4.797 -1.241 53 2HG LYS 6 3HG LYS 6 11.548 -3.978 0.296 54 1HD LYS 6 2HD LYS 6 13.495 -5.045 0.302 55 2HD LYS 6 3HD LYS 6 12.560 -6.302 1.093 56 1HE LYS 6 2HE LYS 6 13.328 -6.101 -1.877 57 2HE LYS 6 3HE LYS 6 14.028 -7.211 -0.692 58 1HZ LYS 6 3HZ LYS 6 11.225 -7.226 -1.596 59 2HZ LYS 6 1HZ LYS 6 12.396 -8.281 -2.075 60 3HZ LYS 6 2HZ LYS 6 11.886 -8.271 -0.507 61 QB LYS 6 QB LYS 6 10.044 -6.118 0.612 62 QG LYS 6 QG LYS 6 11.419 -4.388 -0.472 63 QD LYS 6 QD LYS 6 13.028 -5.674 0.697 64 QE LYS 6 QE LYS 6 13.678 -6.656 -1.285 65 QZ LYS 6 QZ LYS 6 11.835 -7.926 -1.393 66 H LEU 7 HN LEU 7 6.747 -4.828 -0.741 67 HA LEU 7 HA LEU 7 7.655 -4.152 -3.377 68 1HB LEU 7 2HB LEU 7 4.849 -4.276 -2.244 69 2HB LEU 7 3HB LEU 7 5.278 -4.282 -3.947 70 HG LEU 7 HG LEU 7 6.312 -6.483 -2.136 71 1HD1 LEU 7 1HD1 LEU 7 3.780 -6.276 -1.928 72 2HD1 LEU 7 2HD1 LEU 7 3.697 -6.500 -3.673 73 3HD1 LEU 7 3HD1 LEU 7 4.327 -7.808 -2.659 74 1HD2 LEU 7 3HD2 LEU 7 7.222 -6.307 -4.442 75 2HD2 LEU 7 1HD2 LEU 7 6.251 -7.781 -4.201 76 3HD2 LEU 7 2HD2 LEU 7 5.559 -6.403 -5.081 77 QB LEU 7 QB LEU 7 5.063 -4.279 -3.096 78 QD1 LEU 7 QD1 LEU 7 3.935 -6.861 -2.753 79 QD2 LEU 7 QD2 LEU 7 6.344 -6.830 -4.575 80 QQD LEU 7 QQD LEU 7 5.139 -6.846 -3.664 81 HA PRO 8 HA PRO 8 7.229 0.239 -2.817 82 1HB PRO 8 2HB PRO 8 7.439 1.187 -5.356 83 2HB PRO 8 3HB PRO 8 8.737 0.206 -4.623 84 1HG PRO 8 2HG PRO 8 6.486 -0.779 -6.410 85 2HG PRO 8 3HG PRO 8 8.243 -1.016 -6.651 86 1HD PRO 8 2HD PRO 8 6.663 -2.881 -5.399 87 2HD PRO 8 3HD PRO 8 8.358 -2.584 -4.885 88 QB PRO 8 QB PRO 8 8.088 0.697 -4.989 89 QG PRO 8 QG PRO 8 7.364 -0.897 -6.531 90 QD PRO 8 QD PRO 8 7.510 -2.733 -5.142 91 H LEU 9 HN LEU 9 6.015 2.191 -4.055 92 HA LEU 9 HA LEU 9 3.258 2.046 -3.511 93 1HB LEU 9 2HB LEU 9 4.512 4.162 -3.633 94 2HB LEU 9 3HB LEU 9 4.823 3.915 -5.343 95 HG LEU 9 HG LEU 9 2.519 4.196 -5.932 96 1HD1 LEU 9 2HD1 LEU 9 1.871 4.233 -2.957 97 2HD1 LEU 9 3HD1 LEU 9 0.774 4.759 -4.223 98 3HD1 LEU 9 1HD1 LEU 9 1.288 3.072 -4.148 99 1HD2 LEU 9 2HD2 LEU 9 3.832 6.234 -5.565 100 2HD2 LEU 9 3HD2 LEU 9 2.120 6.499 -5.190 101 3HD2 LEU 9 1HD2 LEU 9 3.292 6.295 -3.873 102 QB LEU 9 QB LEU 9 4.667 4.038 -4.488 103 QD1 LEU 9 QD1 LEU 9 1.311 4.021 -3.776 104 QD2 LEU 9 QD2 LEU 9 3.082 6.343 -4.876 105 QQD LEU 9 QQD LEU 9 2.196 5.182 -4.326 106 NH1 ARG 10 NH2 ARG 10 2.545 -3.008 -11.257 107 NH2 ARG 10 NH1 ARG 10 0.492 -4.054 -11.560 108 H ARG 10 HN ARG 10 1.911 0.705 -4.494 109 HA ARG 10 HA ARG 10 2.162 0.245 -7.429 110 1HB ARG 10 2HB ARG 10 2.686 -1.624 -5.934 111 2HB ARG 10 3HB ARG 10 1.083 -1.487 -5.195 112 1HG ARG 10 2HG ARG 10 1.085 -3.307 -6.845 113 2HG ARG 10 3HG ARG 10 0.021 -1.999 -7.334 114 1HD ARG 10 2HD ARG 10 1.795 -1.227 -8.960 115 2HD ARG 10 3HD ARG 10 2.745 -2.651 -8.476 116 HE ARG 10 HE ARG 10 0.008 -3.308 -9.296 117 1HH1 ARG 10 2HH2 ARG 10 3.163 -2.469 -10.670 118 2HH1 ARG 10 1HH2 ARG 10 2.849 -3.252 -12.188 119 1HH2 ARG 10 2HH1 ARG 10 -0.428 -4.253 -11.160 120 2HH2 ARG 10 1HH1 ARG 10 0.718 -4.374 -12.489 121 QB ARG 10 QB ARG 10 1.884 -1.556 -5.565 122 QG ARG 10 QG ARG 10 0.553 -2.653 -7.090 123 QD ARG 10 QD ARG 10 2.270 -1.939 -8.718 124 QH1 ARG 10 QH2 ARG 10 3.006 -2.861 -11.429 125 QH2 ARG 10 QH1 ARG 10 0.145 -4.314 -11.825 126 H ILE 11 HN ILE 11 0.977 2.243 -7.664 127 HA ILE 11 HA ILE 11 -1.717 2.601 -6.839 128 HB ILE 11 HB ILE 11 -0.429 3.594 -9.417 129 1HG1 ILE 11 2HG1 ILE 11 -0.251 4.490 -6.515 130 2HG1 ILE 11 3HG1 ILE 11 1.050 4.239 -7.696 131 1HG2 ILE 11 2HG2 ILE 11 -2.783 4.589 -7.753 132 2HG2 ILE 11 3HG2 ILE 11 -2.103 5.448 -9.142 133 3HG2 ILE 11 1HG2 ILE 11 -2.864 3.882 -9.372 134 1HD1 ILE 11 2HD1 ILE 11 0.187 6.247 -8.948 135 2HD1 ILE 11 3HD1 ILE 11 -0.887 6.552 -7.550 136 3HD1 ILE 11 1HD1 ILE 11 0.868 6.564 -7.338 137 QG1 ILE 11 QG1 ILE 11 0.400 4.365 -7.105 138 QG2 ILE 11 QG2 ILE 11 -2.583 4.639 -8.756 139 QD1 ILE 11 QD1 ILE 11 0.056 6.454 -7.946 140 H GLY 12 HN GLY 12 -0.330 0.933 -9.675 141 1HA GLY 12 1HA GLY 12 -1.106 -0.959 -10.666 142 2HA GLY 12 2HA GLY 12 -2.644 -0.917 -9.803 143 QA GLY 12 QA GLY 12 -1.875 -0.938 -10.234 144 HA PRO 13 HA PRO 13 -2.702 1.139 -14.101 145 1HB PRO 13 2HB PRO 13 -2.888 -0.813 -15.960 146 2HB PRO 13 3HB PRO 13 -1.371 -0.599 -15.050 147 1HG PRO 13 2HG PRO 13 -3.634 -2.518 -14.358 148 2HG PRO 13 3HG PRO 13 -1.912 -2.930 -14.644 149 1HD PRO 13 2HD PRO 13 -2.838 -2.427 -12.113 150 2HD PRO 13 3HD PRO 13 -1.232 -1.874 -12.654 151 QB PRO 13 QB PRO 13 -2.129 -0.706 -15.505 152 QG PRO 13 QG PRO 13 -2.773 -2.724 -14.501 153 QD PRO 13 QD PRO 13 -2.035 -2.151 -12.383 154 H CYS 14 HN CYS 14 -5.054 0.562 -12.219 155 HA CYS 14 HA CYS 14 -7.176 -0.265 -14.056 156 1HB CYS 14 2HB CYS 14 -6.947 -0.201 -11.353 157 2HB CYS 14 3HB CYS 14 -8.010 1.190 -11.615 158 QB CYS 14 QB CYS 14 -7.478 0.494 -11.484 159 H LYS 15 HN LYS 15 -9.227 1.460 -13.796 160 HA LYS 15 HA LYS 15 -8.266 4.224 -14.288 161 1HB LYS 15 2HB LYS 15 -10.034 2.628 -16.173 162 2HB LYS 15 3HB LYS 15 -10.266 4.359 -15.962 163 1HG LYS 15 2HG LYS 15 -8.703 4.837 -17.372 164 2HG LYS 15 3HG LYS 15 -7.470 4.144 -16.348 165 1HD LYS 15 2HD LYS 15 -9.119 2.632 -18.438 166 2HD LYS 15 3HD LYS 15 -7.540 3.342 -18.753 167 1HE LYS 15 2HE LYS 15 -8.108 1.123 -16.732 168 2HE LYS 15 3HE LYS 15 -7.413 0.893 -18.337 169 1HZ LYS 15 2HZ LYS 15 -5.511 2.228 -17.640 170 2HZ LYS 15 3HZ LYS 15 -6.172 2.413 -16.134 171 3HZ LYS 15 1HZ LYS 15 -5.722 0.941 -16.622 172 QB LYS 15 QB LYS 15 -10.150 3.494 -16.068 173 QG LYS 15 QG LYS 15 -8.087 4.490 -16.860 174 QD LYS 15 QD LYS 15 -8.329 2.987 -18.596 175 QE LYS 15 QE LYS 15 -7.761 1.008 -17.535 176 QZ LYS 15 QZ LYS 15 -5.802 1.861 -16.799 177 NH1 ARG 16 NH2 ARG 16 -15.516 4.711 -8.532 178 NH2 ARG 16 NH1 ARG 16 -16.792 2.800 -8.853 179 H ARG 16 HN ARG 16 -8.681 3.471 -11.974 180 HA ARG 16 HA ARG 16 -11.058 4.870 -11.063 181 1HB ARG 16 2HB ARG 16 -10.355 1.960 -10.598 182 2HB ARG 16 3HB ARG 16 -10.939 2.851 -9.211 183 1HG ARG 16 2HG ARG 16 -12.501 2.772 -11.810 184 2HG ARG 16 3HG ARG 16 -12.589 1.574 -10.519 185 1HD ARG 16 2HD ARG 16 -12.885 3.795 -8.981 186 2HD ARG 16 3HD ARG 16 -13.468 4.468 -10.521 187 HE ARG 16 HE ARG 16 -14.706 1.944 -9.986 188 1HH1 ARG 16 2HH2 ARG 16 -14.645 5.204 -8.664 189 2HH1 ARG 16 1HH2 ARG 16 -16.254 5.165 -8.014 190 1HH2 ARG 16 2HH1 ARG 16 -16.903 1.873 -9.240 191 2HH2 ARG 16 1HH1 ARG 16 -17.567 3.202 -8.348 192 QB ARG 16 QB ARG 16 -10.647 2.406 -9.905 193 QG ARG 16 QG ARG 16 -12.545 2.173 -11.165 194 QD ARG 16 QD ARG 16 -13.176 4.132 -9.751 195 QH1 ARG 16 QH2 ARG 16 -15.450 5.185 -8.339 196 QH2 ARG 16 QH1 ARG 16 -17.235 2.538 -8.794 197 H LYS 17 HN LYS 17 -10.652 4.926 -8.520 198 HA LYS 17 HA LYS 17 -7.941 5.000 -7.574 199 1HB LYS 17 2HB LYS 17 -7.831 7.206 -7.038 200 2HB LYS 17 3HB LYS 17 -7.937 7.106 -8.792 201 1HG LYS 17 2HG LYS 17 -10.300 7.879 -8.725 202 2HG LYS 17 3HG LYS 17 -10.224 7.965 -6.959 203 1HD LYS 17 2HD LYS 17 -8.652 9.712 -8.922 204 2HD LYS 17 3HD LYS 17 -9.938 10.210 -7.791 205 1HE LYS 17 2HE LYS 17 -8.497 9.174 -5.941 206 2HE LYS 17 3HE LYS 17 -7.142 9.146 -7.129 207 1HZ LYS 17 2HZ LYS 17 -8.408 11.495 -5.994 208 2HZ LYS 17 3HZ LYS 17 -6.968 10.733 -5.652 209 3HZ LYS 17 1HZ LYS 17 -7.171 11.496 -7.121 210 QB LYS 17 QB LYS 17 -7.884 7.156 -7.915 211 QG LYS 17 QG LYS 17 -10.262 7.922 -7.842 212 QD LYS 17 QD LYS 17 -9.295 9.961 -8.356 213 QE LYS 17 QE LYS 17 -7.820 9.160 -6.535 214 QZ LYS 17 QZ LYS 17 -7.516 11.241 -6.256 215 H ILE 18 HN ILE 18 -8.158 4.375 -5.501 216 HA ILE 18 HA ILE 18 -10.597 4.872 -3.941 217 HB ILE 18 HB ILE 18 -9.235 2.168 -4.317 218 1HG1 ILE 18 2HG1 ILE 18 -11.942 3.134 -5.337 219 2HG1 ILE 18 3HG1 ILE 18 -10.524 2.739 -6.321 220 1HG2 ILE 18 2HG2 ILE 18 -10.188 2.595 -2.020 221 2HG2 ILE 18 3HG2 ILE 18 -11.776 2.855 -2.772 222 3HG2 ILE 18 1HG2 ILE 18 -10.970 1.270 -2.871 223 1HD1 ILE 18 1HD1 ILE 18 -10.583 0.399 -5.483 224 2HD1 ILE 18 2HD1 ILE 18 -12.158 0.762 -4.729 225 3HD1 ILE 18 3HD1 ILE 18 -11.962 0.885 -6.487 226 QG1 ILE 18 QG1 ILE 18 -11.233 2.937 -5.829 227 QG2 ILE 18 QG2 ILE 18 -10.978 2.240 -2.554 228 QD1 ILE 18 QD1 ILE 18 -11.568 0.682 -5.566 229 HA PRO 19 HA PRO 19 -6.984 5.919 -1.430 230 1HB PRO 19 2HB PRO 19 -8.156 6.506 0.977 231 2HB PRO 19 3HB PRO 19 -8.133 7.590 -0.445 232 1HG PRO 19 2HG PRO 19 -10.341 5.699 0.400 233 2HG PRO 19 3HG PRO 19 -10.496 7.421 -0.067 234 1HD PRO 19 2HD PRO 19 -10.997 5.440 -1.838 235 2HD PRO 19 3HD PRO 19 -10.118 6.906 -2.375 236 QB PRO 19 QB PRO 19 -8.144 7.048 0.266 237 QG PRO 19 QG PRO 19 -10.418 6.560 0.166 238 QD PRO 19 QD PRO 19 -10.558 6.173 -2.106 239 H SER 20 HN SER 20 -5.566 4.670 -0.292 240 HA SER 20 HA SER 20 -6.444 2.652 1.640 241 1HB SER 20 2HB SER 20 -4.561 1.951 -0.662 242 2HB SER 20 3HB SER 20 -5.060 0.871 0.656 243 HG SER 20 HG SER 20 -6.825 2.036 -1.208 244 QB SER 20 QB SER 20 -4.811 1.411 -0.003 245 H PHE 21 HN PHE 21 -4.253 1.709 2.555 246 HA PHE 21 HA PHE 21 -2.083 3.749 2.520 247 1HB PHE 21 2HB PHE 21 -2.822 1.864 4.791 248 2HB PHE 21 3HB PHE 21 -1.405 2.905 4.757 249 HD1 PHE 21 2HD PHE 21 -5.130 2.895 4.853 250 HD2 PHE 21 1HD PHE 21 -1.559 5.263 5.312 251 HE1 PHE 21 2HE PHE 21 -6.482 4.752 5.769 252 HE2 PHE 21 1HE PHE 21 -2.924 7.153 6.156 253 HZ PHE 21 HZ PHE 21 -5.383 6.894 6.411 254 QB PHE 21 QB PHE 21 -2.113 2.385 4.774 255 QR PHE 21 QR PHE 21 -4.024 5.016 5.522 256 OH TYR 22 OH TYR 22 4.296 5.314 -1.453 257 H TYR 22 HN TYR 22 0.078 2.862 2.446 258 HA TYR 22 HA TYR 22 0.393 -0.037 2.123 259 1HB TYR 22 2HB TYR 22 1.623 0.121 0.175 260 2HB TYR 22 3HB TYR 22 0.180 1.018 -0.241 261 HD1 TYR 22 HD2 TYR 22 0.523 3.718 0.462 262 HD2 TYR 22 HD1 TYR 22 3.590 0.892 -0.680 263 HE1 TYR 22 HE2 TYR 22 1.947 5.569 -0.288 264 HE2 TYR 22 HE1 TYR 22 4.976 2.757 -1.514 265 HH TYR 22 HH TYR 22 3.787 6.128 -1.459 266 QB TYR 22 QB TYR 22 0.902 0.570 -0.033 267 QR TYR 22 QR TYR 22 2.759 3.234 -0.505 268 OH TYR 23 OH TYR 23 9.516 -0.152 7.154 269 H TYR 23 HN TYR 23 2.864 -0.436 2.158 270 HA TYR 23 HA TYR 23 4.222 1.545 3.947 271 1HB TYR 23 2HB TYR 23 3.970 -0.800 4.754 272 2HB TYR 23 3HB TYR 23 4.948 -1.331 3.404 273 HD1 TYR 23 HD1 TYR 23 7.327 -0.572 3.213 274 HD2 TYR 23 HD2 TYR 23 5.010 -0.105 6.790 275 HE1 TYR 23 HE1 TYR 23 9.369 -0.733 4.615 276 HE2 TYR 23 HE2 TYR 23 7.078 0.206 8.090 277 HH TYR 23 HH TYR 23 9.512 0.626 7.730 278 QB TYR 23 QB TYR 23 4.459 -1.065 4.079 279 QR TYR 23 QR TYR 23 7.196 -0.301 5.677 280 H LYS 24 HN LYS 24 5.466 3.013 2.826 281 HA LYS 24 HA LYS 24 6.528 2.194 0.165 282 1HB LYS 24 2HB LYS 24 5.712 4.521 0.577 283 2HB LYS 24 3HB LYS 24 7.074 4.765 1.677 284 1HG LYS 24 2HG LYS 24 8.518 3.927 -0.368 285 2HG LYS 24 3HG LYS 24 7.075 4.249 -1.332 286 1HD LYS 24 2HD LYS 24 8.529 6.261 0.440 287 2HD LYS 24 3HD LYS 24 8.814 6.068 -1.295 288 1HE LYS 24 2HE LYS 24 6.469 6.688 -1.780 289 2HE LYS 24 3HE LYS 24 6.145 6.871 -0.050 290 1HZ LYS 24 3HZ LYS 24 7.771 8.642 0.001 291 2HZ LYS 24 1HZ LYS 24 8.046 8.481 -1.617 292 3HZ LYS 24 2HZ LYS 24 6.571 8.964 -1.075 293 QB LYS 24 QB LYS 24 6.393 4.643 1.127 294 QG LYS 24 QG LYS 24 7.797 4.088 -0.850 295 QD LYS 24 QD LYS 24 8.672 6.164 -0.427 296 QE LYS 24 QE LYS 24 6.307 6.779 -0.915 297 QZ LYS 24 QZ LYS 24 7.463 8.696 -0.897 298 CH2 TRP 25 CH2 TRP 25 12.138 -4.395 4.817 299 H TRP 25 HN TRP 25 7.893 0.465 0.721 300 HA TRP 25 HA TRP 25 9.687 0.395 2.831 301 1HB TRP 25 2HB TRP 25 9.105 -1.472 1.391 302 2HB TRP 25 3HB TRP 25 10.073 -0.812 0.077 303 HD1 TRP 25 HD1 TRP 25 12.696 -0.910 0.337 304 HE1 TRP 25 HE1 TRP 25 14.299 -2.323 1.734 305 HE3 TRP 25 HE3 TRP 25 9.318 -2.926 3.580 306 HZ2 TRP 25 HZ2 TRP 25 14.122 -4.133 4.003 307 HZ3 TRP 25 HZ3 TRP 25 10.051 -4.483 5.358 308 HH2 TRP 25 HH2 TRP 25 12.448 -5.094 5.581 309 QB TRP 25 QB TRP 25 9.589 -1.142 0.734 310 H LYS 26 HN LYS 26 10.095 2.087 -0.203 311 HA LYS 26 HA LYS 26 12.888 2.567 0.117 312 1HB LYS 26 2HB LYS 26 11.547 2.617 -1.983 313 2HB LYS 26 3HB LYS 26 10.879 4.184 -1.496 314 1HG LYS 26 2HG LYS 26 13.084 5.210 -1.583 315 2HG LYS 26 3HG LYS 26 13.869 3.617 -1.700 316 1HD LYS 26 2HD LYS 26 12.895 3.226 -3.911 317 2HD LYS 26 3HD LYS 26 11.954 4.713 -3.804 318 1HE LYS 26 2HE LYS 26 13.979 4.892 -5.267 319 2HE LYS 26 3HE LYS 26 13.905 6.106 -3.983 320 1HZ LYS 26 2HZ LYS 26 15.505 3.631 -3.830 321 2HZ LYS 26 3HZ LYS 26 16.098 5.104 -4.253 322 3HZ LYS 26 1HZ LYS 26 15.500 4.871 -2.744 323 QB LYS 26 QB LYS 26 11.213 3.401 -1.739 324 QG LYS 26 QG LYS 26 13.476 4.413 -1.641 325 QD LYS 26 QD LYS 26 12.425 3.969 -3.858 326 QE LYS 26 QE LYS 26 13.942 5.499 -4.625 327 QZ LYS 26 QZ LYS 26 15.701 4.536 -3.609 328 H ALA 27 HN ALA 27 10.152 3.992 1.720 329 HA ALA 27 HA ALA 27 11.942 6.031 2.995 330 1HB ALA 27 3HB ALA 27 8.911 5.927 2.829 331 2HB ALA 27 1HB ALA 27 9.860 7.109 3.752 332 3HB ALA 27 2HB ALA 27 9.993 7.073 1.985 333 QB ALA 27 QB ALA 27 9.588 6.703 2.855 334 H LYS 28 HN LYS 28 10.363 3.016 3.340 335 HA LYS 28 HA LYS 28 10.219 1.528 4.901 336 1HB LYS 28 2HB LYS 28 12.607 3.008 5.707 337 2HB LYS 28 3HB LYS 28 11.816 2.299 7.105 338 1HG LYS 28 2HG LYS 28 11.710 0.105 5.875 339 2HG LYS 28 3HG LYS 28 12.676 0.833 4.579 340 1HD LYS 28 2HD LYS 28 14.553 1.164 6.068 341 2HD LYS 28 3HD LYS 28 13.562 0.779 7.494 342 1HE LYS 28 2HE LYS 28 13.236 -1.530 6.711 343 2HE LYS 28 3HE LYS 28 14.174 -1.196 5.244 344 1HZ LYS 28 1HZ LYS 28 15.238 -1.065 7.997 345 2HZ LYS 28 2HZ LYS 28 15.456 -2.317 6.958 346 3HZ LYS 28 3HZ LYS 28 16.103 -0.846 6.614 347 QB LYS 28 QB LYS 28 12.212 2.653 6.406 348 QG LYS 28 QG LYS 28 12.193 0.469 5.227 349 QD LYS 28 QD LYS 28 14.057 0.972 6.781 350 QE LYS 28 QE LYS 28 13.705 -1.363 5.977 351 QZ LYS 28 QZ LYS 28 15.599 -1.409 7.190 352 H GLN 29 HN GLN 29 8.166 3.493 4.827 353 HA GLN 29 HA GLN 29 7.057 3.064 7.533 354 1HB GLN 29 2HB GLN 29 7.305 5.821 6.256 355 2HB GLN 29 3HB GLN 29 6.305 5.440 7.666 356 1HG GLN 29 2HG GLN 29 8.356 4.680 8.890 357 2HG GLN 29 3HG GLN 29 9.345 5.257 7.538 358 1HE2 GLN 29 2HE2 GLN 29 8.712 8.738 8.203 359 2HE2 GLN 29 1HE2 GLN 29 9.057 7.603 6.907 360 QB GLN 29 QB GLN 29 6.805 5.630 6.961 361 QG GLN 29 QG GLN 29 8.850 4.969 8.214 362 QE2 GLN 29 QE2 GLN 29 8.885 8.171 7.555 363 H CYS 30 HN CYS 30 4.777 3.620 7.672 364 HA CYS 30 HA CYS 30 3.252 2.705 5.345 365 1HB CYS 30 2HB CYS 30 2.491 3.295 8.192 366 2HB CYS 30 3HB CYS 30 1.348 2.777 6.960 367 QB CYS 30 QB CYS 30 1.920 3.036 7.576 368 H LEU 31 HN LEU 31 1.870 3.975 4.140 369 HA LEU 31 HA LEU 31 1.465 6.814 4.864 370 1HB LEU 31 2HB LEU 31 2.698 5.797 2.275 371 2HB LEU 31 3HB LEU 31 2.396 7.493 2.650 372 HG LEU 31 HG LEU 31 4.396 5.708 4.121 373 1HD1 LEU 31 3HD1 LEU 31 4.853 6.116 1.715 374 2HD1 LEU 31 1HD1 LEU 31 4.990 7.850 2.061 375 3HD1 LEU 31 2HD1 LEU 31 6.109 6.693 2.839 376 1HD2 LEU 31 3HD2 LEU 31 3.476 7.819 5.358 377 2HD2 LEU 31 1HD2 LEU 31 5.228 7.633 5.185 378 3HD2 LEU 31 2HD2 LEU 31 4.340 8.745 4.121 379 QB LEU 31 QB LEU 31 2.547 6.645 2.463 380 QD1 LEU 31 QD1 LEU 31 5.317 6.886 2.205 381 QD2 LEU 31 QD2 LEU 31 4.348 8.066 4.888 382 QQD LEU 31 QQD LEU 31 4.833 7.476 3.546 383 HA PRO 32 HA PRO 32 -2.332 5.919 2.598 384 1HB PRO 32 2HB PRO 32 -3.180 8.363 1.831 385 2HB PRO 32 3HB PRO 32 -3.102 7.907 3.556 386 1HG PRO 32 2HG PRO 32 -0.995 9.412 1.960 387 2HG PRO 32 3HG PRO 32 -1.746 9.923 3.501 388 1HD PRO 32 2HD PRO 32 0.633 8.625 3.456 389 2HD PRO 32 3HD PRO 32 -0.571 8.238 4.715 390 QB PRO 32 QB PRO 32 -3.141 8.135 2.693 391 QG PRO 32 QG PRO 32 -1.370 9.667 2.730 392 QD PRO 32 QD PRO 32 0.031 8.431 4.086 393 H PHE 33 HN PHE 33 -3.192 5.979 0.360 394 HA PHE 33 HA PHE 33 -2.057 7.645 -1.617 395 1HB PHE 33 2HB PHE 33 -1.126 6.138 -3.153 396 2HB PHE 33 3HB PHE 33 -0.304 5.795 -1.654 397 HD1 PHE 33 2HD PHE 33 -1.826 3.860 -0.187 398 HD2 PHE 33 1HD PHE 33 -1.537 4.267 -4.473 399 HE1 PHE 33 2HE PHE 33 -2.085 1.414 -0.451 400 HE2 PHE 33 1HE PHE 33 -1.628 1.807 -4.699 401 HZ PHE 33 HZ PHE 33 -1.814 0.375 -2.685 402 QB PHE 33 QB PHE 33 -0.715 5.967 -2.403 403 QR PHE 33 QR PHE 33 -1.769 2.837 -2.452 404 H ASP 34 HN ASP 34 -3.214 7.118 -3.816 405 HA ASP 34 HA ASP 34 -5.915 5.936 -3.368 406 1HB ASP 34 2HB ASP 34 -4.729 7.612 -5.623 407 2HB ASP 34 3HB ASP 34 -6.127 6.584 -5.794 408 QB ASP 34 QB ASP 34 -5.428 7.098 -5.709 409 OH TYR 35 OH TYR 35 -5.759 -3.437 -7.278 410 H TYR 35 HN TYR 35 -5.800 3.764 -3.581 411 HA TYR 35 HA TYR 35 -3.884 2.455 -5.442 412 1HB TYR 35 2HB TYR 35 -4.518 1.188 -3.446 413 2HB TYR 35 3HB TYR 35 -6.225 1.524 -3.744 414 HD1 TYR 35 HD1 TYR 35 -3.429 0.227 -5.959 415 HD2 TYR 35 HD2 TYR 35 -7.442 -0.307 -4.485 416 HE1 TYR 35 HE1 TYR 35 -3.854 -1.605 -7.560 417 HE2 TYR 35 HE2 TYR 35 -7.422 -2.626 -5.412 418 HH TYR 35 HH TYR 35 -6.690 -3.703 -7.295 419 QB TYR 35 QB TYR 35 -5.371 1.356 -3.595 420 QR TYR 35 QR TYR 35 -5.537 -1.078 -5.854 421 H SER 36 HN SER 36 -4.670 1.689 -7.528 422 HA SER 36 HA SER 36 -6.654 3.469 -8.630 423 1HB SER 36 2HB SER 36 -6.305 2.340 -10.725 424 2HB SER 36 3HB SER 36 -4.768 2.730 -9.971 425 HG SER 36 HG SER 36 -4.452 0.655 -9.415 426 QB SER 36 QB SER 36 -5.537 2.535 -10.348 427 H GLY 37 HN GLY 37 -6.560 -0.066 -8.216 428 1HA GLY 37 1HA GLY 37 -8.908 -0.609 -6.929 429 2HA GLY 37 2HA GLY 37 -9.472 -0.328 -8.587 430 QA GLY 37 QA GLY 37 -9.190 -0.469 -7.758 431 H CYS 38 HN CYS 38 -7.255 -1.327 -9.983 432 HA CYS 38 HA CYS 38 -7.341 -4.230 -9.422 433 1HB CYS 38 2HB CYS 38 -7.800 -4.731 -11.717 434 2HB CYS 38 3HB CYS 38 -9.127 -3.848 -10.971 435 QB CYS 38 QB CYS 38 -8.463 -4.289 -11.344 436 H GLY 39 HN GLY 39 -5.680 -5.418 -10.217 437 1HA GLY 39 1HA GLY 39 -3.525 -5.916 -10.709 438 2HA GLY 39 2HA GLY 39 -3.435 -4.455 -11.682 439 QA GLY 39 QA GLY 39 -3.480 -5.186 -11.195 440 H GLY 40 HN GLY 40 -4.250 -4.316 -8.200 441 1HA GLY 40 1HA GLY 40 -1.839 -2.925 -7.489 442 2HA GLY 40 2HA GLY 40 -3.046 -3.552 -6.372 443 QA GLY 40 QA GLY 40 -2.443 -3.238 -6.930 444 H ASN 41 HN ASN 41 -1.128 -4.051 -5.078 445 HA ASN 41 HA ASN 41 -0.337 -6.872 -5.558 446 1HB ASN 41 2HB ASN 41 1.862 -6.467 -4.735 447 2HB ASN 41 3HB ASN 41 1.579 -5.414 -6.101 448 1HD2 ASN 41 2HD2 ASN 41 3.043 -2.899 -4.030 449 2HD2 ASN 41 1HD2 ASN 41 3.426 -4.133 -5.213 450 QB ASN 41 QB ASN 41 1.720 -5.940 -5.418 451 QD2 ASN 41 QD2 ASN 41 3.235 -3.516 -4.622 452 H ALA 42 HN ALA 42 0.992 -7.103 -3.033 453 HA ALA 42 HA ALA 42 -1.416 -7.261 -1.325 454 1HB ALA 42 3HB ALA 42 1.358 -8.466 -1.111 455 2HB ALA 42 1HB ALA 42 0.020 -8.762 0.020 456 3HB ALA 42 2HB ALA 42 -0.113 -9.270 -1.677 457 QB ALA 42 QB ALA 42 0.422 -8.833 -0.923 458 H ASN 43 HN ASN 43 1.092 -4.968 -1.715 459 HA ASN 43 HA ASN 43 1.442 -4.425 1.162 460 1HB ASN 43 2HB ASN 43 3.253 -4.168 -0.646 461 2HB ASN 43 3HB ASN 43 2.406 -2.729 -1.179 462 1HD2 ASN 43 2HD2 ASN 43 4.958 -1.474 1.151 463 2HD2 ASN 43 1HD2 ASN 43 4.979 -2.328 -0.344 464 QB ASN 43 QB ASN 43 2.829 -3.449 -0.913 465 QD2 ASN 43 QD2 ASN 43 4.968 -1.901 0.404 466 NH1 ARG 44 NH2 ARG 44 -6.253 -4.075 -2.771 467 NH2 ARG 44 NH1 ARG 44 -4.541 -5.591 -3.180 468 H ARG 44 HN ARG 44 -1.071 -4.250 1.220 469 HA ARG 44 HA ARG 44 -1.891 -1.444 0.746 470 1HB ARG 44 2HB ARG 44 -2.021 -2.614 -1.410 471 2HB ARG 44 3HB ARG 44 -3.134 -3.798 -0.684 472 1HG ARG 44 2HG ARG 44 -4.862 -2.023 -0.453 473 2HG ARG 44 3HG ARG 44 -3.664 -0.789 -0.855 474 1HD ARG 44 2HD ARG 44 -5.253 -1.582 -2.747 475 2HD ARG 44 3HD ARG 44 -3.549 -1.338 -3.086 476 HE ARG 44 HE ARG 44 -3.098 -3.608 -3.203 477 1HH1 ARG 44 2HH2 ARG 44 -6.542 -3.119 -2.628 478 2HH1 ARG 44 1HH2 ARG 44 -6.943 -4.808 -2.735 479 1HH2 ARG 44 2HH1 ARG 44 -3.538 -5.768 -3.264 480 2HH2 ARG 44 1HH1 ARG 44 -5.166 -6.379 -3.136 481 QB ARG 44 QB ARG 44 -2.577 -3.206 -1.047 482 QG ARG 44 QG ARG 44 -4.263 -1.406 -0.654 483 QD ARG 44 QD ARG 44 -4.401 -1.460 -2.917 484 QH1 ARG 44 QH2 ARG 44 -6.743 -3.964 -2.682 485 QH2 ARG 44 QH1 ARG 44 -4.352 -6.073 -3.200 486 H PHE 45 HN PHE 45 -3.110 -0.847 2.367 487 HA PHE 45 HA PHE 45 -4.609 -2.791 4.094 488 1HB PHE 45 2HB PHE 45 -2.737 -0.537 4.868 489 2HB PHE 45 3HB PHE 45 -3.658 -1.541 5.974 490 HD1 PHE 45 2HD PHE 45 -3.085 -3.950 6.298 491 HD2 PHE 45 1HD PHE 45 -0.702 -1.416 3.759 492 HE1 PHE 45 2HE PHE 45 -1.130 -5.410 6.691 493 HE2 PHE 45 1HE PHE 45 1.250 -2.907 4.103 494 HZ PHE 45 HZ PHE 45 1.060 -4.855 5.651 495 QB PHE 45 QB PHE 45 -3.198 -1.039 5.421 496 QR PHE 45 QR PHE 45 -0.917 -3.421 5.213 497 H LYS 46 HN LYS 46 -6.504 -2.002 4.909 498 HA LYS 46 HA LYS 46 -7.637 0.401 3.719 499 1HB LYS 46 2HB LYS 46 -8.631 -1.365 5.996 500 2HB LYS 46 3HB LYS 46 -9.539 -0.060 5.210 501 1HG LYS 46 2HG LYS 46 -9.291 -1.220 3.024 502 2HG LYS 46 3HG LYS 46 -8.515 -2.593 3.851 503 1HD LYS 46 2HD LYS 46 -10.531 -2.859 5.294 504 2HD LYS 46 3HD LYS 46 -11.338 -1.549 4.429 505 1HE LYS 46 2HE LYS 46 -10.404 -4.220 3.250 506 2HE LYS 46 3HE LYS 46 -12.073 -3.780 3.640 507 1HZ LYS 46 3HZ LYS 46 -11.920 -2.023 1.989 508 2HZ LYS 46 1HZ LYS 46 -10.394 -2.498 1.588 509 3HZ LYS 46 2HZ LYS 46 -11.665 -3.508 1.328 510 QB LYS 46 QB LYS 46 -9.085 -0.713 5.603 511 QG LYS 46 QG LYS 46 -8.903 -1.907 3.438 512 QD LYS 46 QD LYS 46 -10.934 -2.204 4.861 513 QE LYS 46 QE LYS 46 -11.238 -4.000 3.445 514 QZ LYS 46 QZ LYS 46 -11.326 -2.676 1.635 515 H THR 47 HN THR 47 -5.713 -0.297 6.568 516 HA THR 47 HA THR 47 -6.112 2.529 7.455 517 HB THR 47 HB THR 47 -6.123 1.932 9.758 518 HG1 THR 47 1HG THR 47 -6.344 -0.791 9.191 519 1HG2 THR 47 2HG2 THR 47 -8.328 1.952 8.618 520 2HG2 THR 47 3HG2 THR 47 -8.205 0.203 8.342 521 3HG2 THR 47 1HG2 THR 47 -8.286 0.836 9.995 522 QG2 THR 47 QG2 THR 47 -8.273 0.997 8.985 523 H ILE 48 HN ILE 48 -4.373 3.553 8.262 524 HA ILE 48 HA ILE 48 -1.742 2.611 7.712 525 HB ILE 48 HB ILE 48 -2.774 5.023 8.166 526 1HG1 ILE 48 2HG1 ILE 48 -0.460 4.498 7.409 527 2HG1 ILE 48 3HG1 ILE 48 -0.813 6.055 8.165 528 1HG2 ILE 48 3HG2 ILE 48 -3.513 4.635 10.441 529 2HG2 ILE 48 1HG2 ILE 48 -1.837 4.404 10.972 530 3HG2 ILE 48 2HG2 ILE 48 -2.357 5.974 10.336 531 1HD1 ILE 48 2HD1 ILE 48 0.431 3.709 9.598 532 2HD1 ILE 48 3HD1 ILE 48 1.279 5.142 8.951 533 3HD1 ILE 48 1HD1 ILE 48 0.113 5.335 10.273 534 QG1 ILE 48 QG1 ILE 48 -0.636 5.277 7.787 535 QG2 ILE 48 QG2 ILE 48 -2.569 5.004 10.583 536 QD1 ILE 48 QD1 ILE 48 0.607 4.729 9.607 537 H GLU 49 HN GLU 49 -3.821 2.323 10.573 538 HA GLU 49 HA GLU 49 -1.693 1.456 12.270 539 1HB GLU 49 2HB GLU 49 -4.101 2.224 12.976 540 2HB GLU 49 3HB GLU 49 -4.628 0.611 12.466 541 1HG GLU 49 2HG GLU 49 -2.669 -0.196 14.098 542 2HG GLU 49 3HG GLU 49 -2.869 1.417 14.793 543 QB GLU 49 QB GLU 49 -4.365 1.417 12.721 544 QG GLU 49 QG GLU 49 -2.769 0.611 14.446 545 H GLU 50 HN GLU 50 -4.001 -0.374 10.156 546 HA GLU 50 HA GLU 50 -3.001 -2.895 11.006 547 1HB GLU 50 2HB GLU 50 -5.113 -2.514 9.695 548 2HB GLU 50 3HB GLU 50 -4.141 -2.140 8.264 549 1HG GLU 50 2HG GLU 50 -4.864 -4.420 8.034 550 2HG GLU 50 3HG GLU 50 -3.147 -4.516 8.503 551 QB GLU 50 QB GLU 50 -4.627 -2.327 8.980 552 QG GLU 50 QG GLU 50 -4.006 -4.468 8.269 553 H CYS 51 HN CYS 51 -2.045 -0.737 8.286 554 HA CYS 51 HA CYS 51 0.097 -2.326 7.353 555 1HB CYS 51 2HB CYS 51 -0.659 -0.286 6.147 556 2HB CYS 51 3HB CYS 51 0.004 0.727 7.437 557 QB CYS 51 QB CYS 51 -0.328 0.221 6.792 558 NH1 ARG 52 NH2 ARG 52 3.200 3.728 15.107 559 NH2 ARG 52 NH1 ARG 52 1.033 4.551 15.121 560 H ARG 52 HN ARG 52 0.195 0.215 9.895 561 HA ARG 52 HA ARG 52 2.986 -0.088 10.236 562 1HB ARG 52 2HB ARG 52 1.447 1.838 10.830 563 2HB ARG 52 3HB ARG 52 1.049 0.983 12.328 564 1HG ARG 52 2HG ARG 52 3.298 1.241 13.138 565 2HG ARG 52 3HG ARG 52 3.936 1.488 11.506 566 1HD ARG 52 2HD ARG 52 3.974 3.639 12.598 567 2HD ARG 52 3HD ARG 52 2.819 3.638 11.289 568 HE ARG 52 HE ARG 52 1.023 3.789 12.723 569 1HH1 ARG 52 2HH2 ARG 52 3.933 3.228 14.625 570 2HH1 ARG 52 1HH2 ARG 52 3.342 3.970 16.077 571 1HH2 ARG 52 2HH1 ARG 52 0.161 4.741 14.649 572 2HH2 ARG 52 1HH1 ARG 52 1.113 4.805 16.095 573 QB ARG 52 QB ARG 52 1.248 1.410 11.579 574 QG ARG 52 QG ARG 52 3.617 1.364 12.322 575 QD ARG 52 QD ARG 52 3.396 3.638 11.943 576 QH1 ARG 52 QH2 ARG 52 3.637 3.599 15.351 577 QH2 ARG 52 QH1 ARG 52 0.637 4.773 15.372 578 NH1 ARG 53 NH2 ARG 53 -2.869 -6.917 14.302 579 NH2 ARG 53 NH1 ARG 53 -4.264 -7.001 12.464 580 H ARG 53 HN ARG 53 0.235 -1.627 11.875 581 HA ARG 53 HA ARG 53 1.933 -2.865 13.869 582 1HB ARG 53 2HB ARG 53 0.032 -3.598 14.882 583 2HB ARG 53 3HB ARG 53 -0.606 -2.222 13.989 584 1HG ARG 53 2HG ARG 53 -1.288 -3.848 12.179 585 2HG ARG 53 3HG ARG 53 -0.810 -5.172 13.255 586 1HD ARG 53 2HD ARG 53 -2.469 -4.307 14.975 587 2HD ARG 53 3HD ARG 53 -2.927 -3.041 13.841 588 HE ARG 53 HE ARG 53 -4.103 -4.526 12.536 589 1HH1 ARG 53 2HH2 ARG 53 -2.310 -6.368 14.937 590 2HH1 ARG 53 1HH2 ARG 53 -2.875 -7.922 14.373 591 1HH2 ARG 53 2HH1 ARG 53 -4.568 -6.531 11.599 592 2HH2 ARG 53 1HH1 ARG 53 -4.294 -8.005 12.464 593 QB ARG 53 QB ARG 53 -0.287 -2.910 14.435 594 QG ARG 53 QG ARG 53 -1.049 -4.510 12.717 595 QD ARG 53 QD ARG 53 -2.698 -3.674 14.408 596 QH1 ARG 53 QH2 ARG 53 -2.593 -7.145 14.655 597 QH2 ARG 53 QH1 ARG 53 -4.431 -7.268 12.032 598 H THR 54 HN THR 54 0.769 -3.781 10.643 599 HA THR 54 HA THR 54 1.613 -6.547 10.878 600 HB THR 54 HB THR 54 1.099 -4.816 8.421 601 HG1 THR 54 1HG THR 54 -0.736 -5.065 9.627 602 1HG2 THR 54 3HG2 THR 54 1.397 -7.843 8.740 603 2HG2 THR 54 1HG2 THR 54 0.785 -7.028 7.289 604 3HG2 THR 54 2HG2 THR 54 2.460 -6.781 7.793 605 QG2 THR 54 QG2 THR 54 1.548 -7.217 7.940 606 H CYS 55 HN CYS 55 3.074 -3.597 9.345 607 HA CYS 55 HA CYS 55 5.418 -5.235 8.732 608 1HB CYS 55 2HB CYS 55 4.533 -3.856 7.009 609 2HB CYS 55 3HB CYS 55 5.034 -2.398 7.881 610 QB CYS 55 QB CYS 55 4.784 -3.127 7.445 611 H VAL 56 HN VAL 56 4.825 -2.255 10.520 612 HA VAL 56 HA VAL 56 7.509 -2.293 11.753 613 HB VAL 56 HB VAL 56 5.206 -0.372 12.314 614 1HG1 VAL 56 2HG1 VAL 56 8.139 -0.387 12.970 615 2HG1 VAL 56 3HG1 VAL 56 7.368 1.161 12.592 616 3HG1 VAL 56 1HG1 VAL 56 6.743 0.205 13.917 617 1HG2 VAL 56 1HG2 VAL 56 7.376 -0.116 10.232 618 2HG2 VAL 56 2HG2 VAL 56 5.627 -0.277 9.890 619 3HG2 VAL 56 3HG2 VAL 56 6.236 1.171 10.679 620 QG1 VAL 56 QG1 VAL 56 7.417 0.326 13.160 621 QG2 VAL 56 QG2 VAL 56 6.413 0.259 10.267 622 QQG VAL 56 QQG VAL 56 6.915 0.293 11.713 623 H GLY 57 HN GLY 57 6.812 -1.605 14.430 624 1HA GLY 57 1HA GLY 57 4.705 -3.210 15.477 625 2HA GLY 57 2HA GLY 57 6.341 -3.822 15.867 626 QA GLY 57 QA GLY 57 5.523 -3.516 15.672 Start of MODEL 12 Raw file had 626 H/Q atoms Start of MODEL 12 1 H ALA 1 HN ALA 1 7.736 -8.572 10.633 2 HA ALA 1 HA ALA 1 7.169 -6.741 9.204 3 1HB ALA 1 3HB ALA 1 10.067 -6.974 8.264 4 2HB ALA 1 1HB ALA 1 8.841 -5.928 7.538 5 3HB ALA 1 2HB ALA 1 9.371 -5.634 9.208 6 QB ALA 1 QB ALA 1 9.426 -6.179 8.336 7 H ALA 2 HN ALA 2 6.150 -7.235 7.214 8 HA ALA 2 HA ALA 2 6.211 -9.994 6.356 9 1HB ALA 2 2HB ALA 2 4.826 -7.538 5.209 10 2HB ALA 2 3HB ALA 2 4.541 -9.212 4.705 11 3HB ALA 2 1HB ALA 2 4.145 -8.709 6.354 12 QB ALA 2 QB ALA 2 4.504 -8.486 5.423 13 H LYS 3 HN LYS 3 6.339 -10.527 3.982 14 HA LYS 3 HA LYS 3 8.899 -9.627 2.857 15 1HB LYS 3 2HB LYS 3 7.042 -11.884 2.421 16 2HB LYS 3 3HB LYS 3 7.501 -11.103 0.917 17 1HG LYS 3 2HG LYS 3 9.051 -12.721 1.076 18 2HG LYS 3 3HG LYS 3 9.957 -11.329 1.644 19 1HD LYS 3 2HD LYS 3 8.631 -13.496 3.363 20 2HD LYS 3 3HD LYS 3 10.334 -13.466 2.894 21 1HE LYS 3 2HE LYS 3 10.660 -11.338 4.150 22 2HE LYS 3 3HE LYS 3 8.967 -11.396 4.675 23 1HZ LYS 3 2HZ LYS 3 10.991 -13.425 5.322 24 2HZ LYS 3 3HZ LYS 3 10.420 -12.265 6.337 25 3HZ LYS 3 1HZ LYS 3 9.416 -13.446 5.799 26 QB LYS 3 QB LYS 3 7.272 -11.493 1.669 27 QG LYS 3 QG LYS 3 9.504 -12.025 1.360 28 QD LYS 3 QD LYS 3 9.482 -13.481 3.128 29 QE LYS 3 QE LYS 3 9.814 -11.367 4.412 30 QZ LYS 3 QZ LYS 3 10.276 -13.045 5.819 31 OH TYR 4 OH TYR 4 0.658 -9.023 5.132 32 H TYR 4 HN TYR 4 5.430 -9.540 1.883 33 HA TYR 4 HA TYR 4 5.759 -7.963 -0.376 34 1HB TYR 4 2HB TYR 4 3.352 -7.367 -0.034 35 2HB TYR 4 3HB TYR 4 3.758 -9.081 -0.082 36 HD1 TYR 4 HD2 TYR 4 2.633 -6.285 2.073 37 HD2 TYR 4 HD1 TYR 4 3.300 -10.533 1.769 38 HE1 TYR 4 HE2 TYR 4 1.130 -6.666 3.995 39 HE2 TYR 4 HE1 TYR 4 1.879 -10.895 3.767 40 HH TYR 4 HH TYR 4 0.188 -8.243 5.432 41 QB TYR 4 QB TYR 4 3.555 -8.224 -0.058 42 QR TYR 4 QR TYR 4 2.235 -8.595 2.901 43 H CYS 5 HN CYS 5 5.969 -6.971 2.903 44 HA CYS 5 HA CYS 5 5.462 -4.204 2.789 45 1HB CYS 5 2HB CYS 5 6.039 -5.573 4.830 46 2HB CYS 5 3HB CYS 5 7.731 -5.488 4.336 47 QB CYS 5 QB CYS 5 6.885 -5.530 4.583 48 H LYS 6 HN LYS 6 8.149 -6.032 1.490 49 HA LYS 6 HA LYS 6 9.908 -3.841 0.803 50 1HB LYS 6 2HB LYS 6 9.564 -6.649 -0.249 51 2HB LYS 6 3HB LYS 6 10.599 -5.494 -1.068 52 1HG LYS 6 2HG LYS 6 11.843 -6.939 0.456 53 2HG LYS 6 3HG LYS 6 12.060 -5.201 0.744 54 1HD LYS 6 2HD LYS 6 10.600 -5.240 2.658 55 2HD LYS 6 3HD LYS 6 10.090 -6.905 2.309 56 1HE LYS 6 2HE LYS 6 12.356 -7.742 2.774 57 2HE LYS 6 3HE LYS 6 12.935 -6.091 3.043 58 1HZ LYS 6 1HZ LYS 6 10.845 -7.430 4.644 59 2HZ LYS 6 2HZ LYS 6 12.421 -7.220 5.104 60 3HZ LYS 6 3HZ LYS 6 11.439 -5.918 4.889 61 QB LYS 6 QB LYS 6 10.081 -6.072 -0.658 62 QG LYS 6 QG LYS 6 11.952 -6.070 0.600 63 QD LYS 6 QD LYS 6 10.345 -6.072 2.484 64 QE LYS 6 QE LYS 6 12.646 -6.916 2.909 65 QZ LYS 6 QZ LYS 6 11.568 -6.856 4.879 66 H LEU 7 HN LEU 7 6.916 -5.024 -0.773 67 HA LEU 7 HA LEU 7 7.679 -4.220 -3.387 68 1HB LEU 7 2HB LEU 7 4.928 -4.399 -2.138 69 2HB LEU 7 3HB LEU 7 5.264 -4.366 -3.866 70 HG LEU 7 HG LEU 7 6.455 -6.564 -2.139 71 1HD1 LEU 7 3HD1 LEU 7 3.867 -6.376 -1.922 72 2HD1 LEU 7 1HD1 LEU 7 3.871 -6.811 -3.636 73 3HD1 LEU 7 2HD1 LEU 7 4.550 -7.934 -2.463 74 1HD2 LEU 7 1HD2 LEU 7 5.618 -6.394 -5.072 75 2HD2 LEU 7 2HD2 LEU 7 7.292 -6.341 -4.474 76 3HD2 LEU 7 3HD2 LEU 7 6.312 -7.812 -4.269 77 QB LEU 7 QB LEU 7 5.096 -4.383 -3.002 78 QD1 LEU 7 QD1 LEU 7 4.096 -7.040 -2.674 79 QD2 LEU 7 QD2 LEU 7 6.407 -6.849 -4.605 80 QQD LEU 7 QQD LEU 7 5.252 -6.945 -3.639 81 HA PRO 8 HA PRO 8 7.332 0.180 -2.857 82 1HB PRO 8 2HB PRO 8 7.489 1.090 -5.411 83 2HB PRO 8 3HB PRO 8 8.804 0.121 -4.698 84 1HG PRO 8 2HG PRO 8 6.515 -0.898 -6.410 85 2HG PRO 8 3HG PRO 8 8.266 -1.132 -6.692 86 1HD PRO 8 2HD PRO 8 6.759 -2.997 -5.378 87 2HD PRO 8 3HD PRO 8 8.449 -2.646 -4.882 88 QB PRO 8 QB PRO 8 8.147 0.605 -5.054 89 QG PRO 8 QG PRO 8 7.390 -1.015 -6.551 90 QD PRO 8 QD PRO 8 7.604 -2.821 -5.130 91 H LEU 9 HN LEU 9 6.076 2.118 -4.062 92 HA LEU 9 HA LEU 9 3.305 1.944 -3.549 93 1HB LEU 9 2HB LEU 9 4.549 4.068 -3.689 94 2HB LEU 9 3HB LEU 9 4.891 3.785 -5.395 95 HG LEU 9 HG LEU 9 2.595 4.094 -6.024 96 1HD1 LEU 9 2HD1 LEU 9 1.991 3.937 -3.065 97 2HD1 LEU 9 3HD1 LEU 9 0.910 4.797 -4.148 98 3HD1 LEU 9 1HD1 LEU 9 1.213 3.076 -4.382 99 1HD2 LEU 9 1HD2 LEU 9 3.981 6.105 -5.592 100 2HD2 LEU 9 2HD2 LEU 9 2.257 6.412 -5.316 101 3HD2 LEU 9 3HD2 LEU 9 3.344 6.176 -3.934 102 QB LEU 9 QB LEU 9 4.720 3.926 -4.542 103 QD1 LEU 9 QD1 LEU 9 1.371 3.937 -3.865 104 QD2 LEU 9 QD2 LEU 9 3.194 6.231 -4.947 105 QQD LEU 9 QQD LEU 9 2.283 5.084 -4.406 106 NH1 ARG 10 NH2 ARG 10 2.796 -4.882 -9.011 107 NH2 ARG 10 NH1 ARG 10 0.836 -5.630 -9.994 108 H ARG 10 HN ARG 10 1.703 1.042 -4.685 109 HA ARG 10 HA ARG 10 2.159 0.175 -7.503 110 1HB ARG 10 2HB ARG 10 2.813 -1.548 -5.936 111 2HB ARG 10 3HB ARG 10 1.278 -1.400 -5.068 112 1HG ARG 10 2HG ARG 10 1.392 -3.363 -6.589 113 2HG ARG 10 3HG ARG 10 0.037 -2.280 -6.863 114 1HD ARG 10 2HD ARG 10 1.059 -1.424 -8.890 115 2HD ARG 10 3HD ARG 10 2.573 -2.255 -8.562 116 HE ARG 10 HE ARG 10 -0.033 -3.417 -9.491 117 1HH1 ARG 10 2HH2 ARG 10 3.314 -4.147 -8.558 118 2HH1 ARG 10 1HH2 ARG 10 3.253 -5.765 -9.189 119 1HH2 ARG 10 2HH1 ARG 10 -0.155 -5.441 -10.149 120 2HH2 ARG 10 1HH1 ARG 10 1.191 -6.562 -10.144 121 QB ARG 10 QB ARG 10 2.046 -1.474 -5.502 122 QG ARG 10 QG ARG 10 0.714 -2.822 -6.726 123 QD ARG 10 QD ARG 10 1.816 -1.840 -8.726 124 QH1 ARG 10 QH2 ARG 10 3.283 -4.956 -8.873 125 QH2 ARG 10 QH1 ARG 10 0.518 -6.001 -10.146 126 H ILE 11 HN ILE 11 0.812 1.864 -8.155 127 HA ILE 11 HA ILE 11 -1.842 2.217 -7.102 128 HB ILE 11 HB ILE 11 -0.788 3.185 -9.766 129 1HG1 ILE 11 2HG1 ILE 11 0.878 3.920 -8.159 130 2HG1 ILE 11 3HG1 ILE 11 -0.203 5.265 -8.498 131 1HG2 ILE 11 1HG2 ILE 11 -2.993 4.134 -7.880 132 2HG2 ILE 11 2HG2 ILE 11 -2.387 5.081 -9.249 133 3HG2 ILE 11 3HG2 ILE 11 -3.168 3.520 -9.525 134 1HD1 ILE 11 3HD1 ILE 11 -1.451 4.966 -6.525 135 2HD1 ILE 11 1HD1 ILE 11 -0.337 3.660 -6.005 136 3HD1 ILE 11 2HD1 ILE 11 0.248 5.326 -6.232 137 QG1 ILE 11 QG1 ILE 11 0.338 4.592 -8.329 138 QG2 ILE 11 QG2 ILE 11 -2.850 4.245 -8.884 139 QD1 ILE 11 QD1 ILE 11 -0.513 4.651 -6.254 140 H GLY 12 HN GLY 12 -0.509 0.552 -9.906 141 1HA GLY 12 1HA GLY 12 -1.313 -1.331 -10.963 142 2HA GLY 12 2HA GLY 12 -2.878 -1.209 -10.150 143 QA GLY 12 QA GLY 12 -2.095 -1.270 -10.556 144 HA PRO 13 HA PRO 13 -2.399 0.785 -14.444 145 1HB PRO 13 2HB PRO 13 -3.384 -1.031 -16.211 146 2HB PRO 13 3HB PRO 13 -1.787 -1.227 -15.437 147 1HG PRO 13 2HG PRO 13 -4.425 -2.431 -14.515 148 2HG PRO 13 3HG PRO 13 -2.901 -3.305 -14.863 149 1HD PRO 13 2HD PRO 13 -3.510 -2.543 -12.330 150 2HD PRO 13 3HD PRO 13 -1.840 -2.378 -12.947 151 QB PRO 13 QB PRO 13 -2.585 -1.129 -15.824 152 QG PRO 13 QG PRO 13 -3.663 -2.868 -14.689 153 QD PRO 13 QD PRO 13 -2.675 -2.460 -12.639 154 H CYS 14 HN CYS 14 -5.238 0.103 -12.669 155 HA CYS 14 HA CYS 14 -7.132 0.950 -14.776 156 1HB CYS 14 2HB CYS 14 -7.202 -0.225 -12.042 157 2HB CYS 14 3HB CYS 14 -8.529 0.817 -12.417 158 QB CYS 14 QB CYS 14 -7.865 0.296 -12.230 159 H LYS 15 HN LYS 15 -8.810 2.664 -13.566 160 HA LYS 15 HA LYS 15 -7.211 4.859 -12.354 161 1HB LYS 15 2HB LYS 15 -7.257 5.064 -14.879 162 2HB LYS 15 3HB LYS 15 -9.011 5.224 -14.768 163 1HG LYS 15 2HG LYS 15 -7.810 7.090 -12.905 164 2HG LYS 15 3HG LYS 15 -6.909 7.223 -14.412 165 1HD LYS 15 2HD LYS 15 -9.942 7.377 -14.145 166 2HD LYS 15 3HD LYS 15 -8.873 8.785 -14.206 167 1HE LYS 15 2HE LYS 15 -8.208 8.351 -16.469 168 2HE LYS 15 3HE LYS 15 -8.891 6.724 -16.462 169 1HZ LYS 15 2HZ LYS 15 -10.479 9.193 -16.289 170 2HZ LYS 15 3HZ LYS 15 -10.293 8.255 -17.628 171 3HZ LYS 15 1HZ LYS 15 -11.071 7.658 -16.309 172 QB LYS 15 QB LYS 15 -8.134 5.144 -14.823 173 QG LYS 15 QG LYS 15 -7.359 7.157 -13.659 174 QD LYS 15 QD LYS 15 -9.407 8.081 -14.176 175 QE LYS 15 QE LYS 15 -8.549 7.537 -16.466 176 QZ LYS 15 QZ LYS 15 -10.614 8.369 -16.742 177 NH1 ARG 16 NH2 ARG 16 -12.078 -2.195 -9.607 178 NH2 ARG 16 NH1 ARG 16 -14.329 -1.841 -9.955 179 H ARG 16 HN ARG 16 -8.621 3.431 -10.744 180 HA ARG 16 HA ARG 16 -11.196 4.835 -10.266 181 1HB ARG 16 2HB ARG 16 -9.950 2.423 -8.933 182 2HB ARG 16 3HB ARG 16 -11.464 3.148 -8.424 183 1HG ARG 16 2HG ARG 16 -12.661 2.501 -10.282 184 2HG ARG 16 3HG ARG 16 -11.234 2.274 -11.292 185 1HD ARG 16 2HD ARG 16 -10.808 0.163 -10.558 186 2HD ARG 16 3HD ARG 16 -11.315 0.522 -8.892 187 HE ARG 16 HE ARG 16 -13.633 0.521 -10.454 188 1HH1 ARG 16 2HH2 ARG 16 -11.098 -1.918 -9.611 189 2HH1 ARG 16 1HH2 ARG 16 -12.239 -3.166 -9.389 190 1HH2 ARG 16 2HH1 ARG 16 -15.109 -1.235 -10.163 191 2HH2 ARG 16 1HH1 ARG 16 -14.519 -2.813 -9.760 192 QB ARG 16 QB ARG 16 -10.707 2.786 -8.679 193 QG ARG 16 QG ARG 16 -11.947 2.388 -10.787 194 QD ARG 16 QD ARG 16 -11.061 0.343 -9.725 195 QH1 ARG 16 QH2 ARG 16 -11.669 -2.542 -9.500 196 QH2 ARG 16 QH1 ARG 16 -14.814 -2.024 -9.961 197 H LYS 17 HN LYS 17 -11.383 5.176 -7.768 198 HA LYS 17 HA LYS 17 -8.934 6.511 -6.666 199 1HB LYS 17 2HB LYS 17 -10.529 8.121 -7.782 200 2HB LYS 17 3HB LYS 17 -11.798 7.568 -6.701 201 1HG LYS 17 2HG LYS 17 -9.987 8.293 -4.814 202 2HG LYS 17 3HG LYS 17 -9.321 9.204 -6.150 203 1HD LYS 17 2HD LYS 17 -10.720 10.787 -5.283 204 2HD LYS 17 3HD LYS 17 -11.882 10.039 -6.382 205 1HE LYS 17 2HE LYS 17 -11.486 9.582 -3.370 206 2HE LYS 17 3HE LYS 17 -12.882 10.339 -4.143 207 1HZ LYS 17 1HZ LYS 17 -12.088 7.502 -4.417 208 2HZ LYS 17 2HZ LYS 17 -13.301 8.058 -3.467 209 3HZ LYS 17 3HZ LYS 17 -13.409 8.186 -5.109 210 QB LYS 17 QB LYS 17 -11.164 7.845 -7.242 211 QG LYS 17 QG LYS 17 -9.654 8.748 -5.482 212 QD LYS 17 QD LYS 17 -11.301 10.413 -5.832 213 QE LYS 17 QE LYS 17 -12.184 9.960 -3.757 214 QZ LYS 17 QZ LYS 17 -12.933 7.916 -4.331 215 H ILE 18 HN ILE 18 -8.857 4.308 -5.587 216 HA ILE 18 HA ILE 18 -10.879 4.018 -3.393 217 HB ILE 18 HB ILE 18 -8.987 2.042 -4.636 218 1HG1 ILE 18 2HG1 ILE 18 -12.029 1.930 -4.476 219 2HG1 ILE 18 3HG1 ILE 18 -11.231 2.779 -5.800 220 1HG2 ILE 18 3HG2 ILE 18 -10.948 1.694 -2.311 221 2HG2 ILE 18 1HG2 ILE 18 -10.074 0.379 -3.115 222 3HG2 ILE 18 2HG2 ILE 18 -9.183 1.583 -2.200 223 1HD1 ILE 18 1HD1 ILE 18 -10.773 -0.153 -5.171 224 2HD1 ILE 18 2HD1 ILE 18 -11.750 0.522 -6.487 225 3HD1 ILE 18 3HD1 ILE 18 -9.998 0.826 -6.440 226 QG1 ILE 18 QG1 ILE 18 -11.630 2.354 -5.138 227 QG2 ILE 18 QG2 ILE 18 -10.068 1.219 -2.542 228 QD1 ILE 18 QD1 ILE 18 -10.840 0.398 -6.033 229 HA PRO 19 HA PRO 19 -7.257 5.953 -1.373 230 1HB PRO 19 2HB PRO 19 -8.420 6.649 1.014 231 2HB PRO 19 3HB PRO 19 -8.582 7.584 -0.501 232 1HG PRO 19 2HG PRO 19 -10.494 5.483 0.559 233 2HG PRO 19 3HG PRO 19 -10.895 7.154 0.056 234 1HD PRO 19 2HD PRO 19 -11.240 5.140 -1.639 235 2HD PRO 19 3HD PRO 19 -10.423 6.602 -2.269 236 QB PRO 19 QB PRO 19 -8.501 7.117 0.257 237 QG PRO 19 QG PRO 19 -10.694 6.319 0.307 238 QD PRO 19 QD PRO 19 -10.831 5.871 -1.954 239 H SER 20 HN SER 20 -5.720 4.647 -0.541 240 HA SER 20 HA SER 20 -6.373 2.633 1.530 241 1HB SER 20 2HB SER 20 -4.519 1.977 -0.796 242 2HB SER 20 3HB SER 20 -5.162 0.891 0.440 243 HG SER 20 HG SER 20 -6.772 2.239 -1.466 244 QB SER 20 QB SER 20 -4.841 1.434 -0.178 245 H PHE 21 HN PHE 21 -4.116 1.721 2.217 246 HA PHE 21 HA PHE 21 -2.001 3.811 2.204 247 1HB PHE 21 2HB PHE 21 -2.807 1.974 4.502 248 2HB PHE 21 3HB PHE 21 -1.389 3.010 4.489 249 HD1 PHE 21 2HD PHE 21 -5.125 2.997 4.514 250 HD2 PHE 21 1HD PHE 21 -1.558 5.358 5.018 251 HE1 PHE 21 2HE PHE 21 -6.465 4.803 5.553 252 HE2 PHE 21 1HE PHE 21 -2.890 7.139 6.117 253 HZ PHE 21 HZ PHE 21 -5.346 6.874 6.365 254 QB PHE 21 QB PHE 21 -2.098 2.492 4.495 255 QR PHE 21 QR PHE 21 -4.009 5.074 5.301 256 OH TYR 22 OH TYR 22 4.177 5.565 -1.465 257 H TYR 22 HN TYR 22 0.166 2.942 2.209 258 HA TYR 22 HA TYR 22 0.535 0.031 1.980 259 1HB TYR 22 2HB TYR 22 1.789 0.177 0.027 260 2HB TYR 22 3HB TYR 22 0.268 0.952 -0.374 261 HD1 TYR 22 HD2 TYR 22 0.412 3.694 0.164 262 HD2 TYR 22 HD1 TYR 22 3.766 1.108 -0.718 263 HE1 TYR 22 HE2 TYR 22 1.728 5.640 -0.498 264 HE2 TYR 22 HE1 TYR 22 5.069 3.095 -1.435 265 HH TYR 22 HH TYR 22 3.599 6.331 -1.485 266 QB TYR 22 QB TYR 22 1.029 0.565 -0.174 267 QR TYR 22 QR TYR 22 2.744 3.384 -0.622 268 OH TYR 23 OH TYR 23 9.069 0.119 7.665 269 H TYR 23 HN TYR 23 2.977 -0.368 2.041 270 HA TYR 23 HA TYR 23 4.306 1.613 3.845 271 1HB TYR 23 2HB TYR 23 3.866 -0.758 4.609 272 2HB TYR 23 3HB TYR 23 4.999 -1.298 3.394 273 HD1 TYR 23 HD1 TYR 23 7.411 -0.586 3.510 274 HD2 TYR 23 HD2 TYR 23 4.637 0.090 6.716 275 HE1 TYR 23 HE1 TYR 23 9.262 -0.575 5.155 276 HE2 TYR 23 HE2 TYR 23 6.517 0.515 8.263 277 HH TYR 23 HH TYR 23 9.021 0.953 8.154 278 QB TYR 23 QB TYR 23 4.433 -1.028 4.002 279 QR TYR 23 QR TYR 23 6.957 -0.139 5.911 280 H LYS 24 HN LYS 24 5.675 3.014 2.689 281 HA LYS 24 HA LYS 24 6.783 2.022 0.124 282 1HB LYS 24 2HB LYS 24 6.078 4.396 0.432 283 2HB LYS 24 3HB LYS 24 7.452 4.632 1.517 284 1HG LYS 24 2HG LYS 24 8.934 3.749 -0.376 285 2HG LYS 24 3HG LYS 24 7.521 3.775 -1.425 286 1HD LYS 24 2HD LYS 24 8.743 6.194 -0.015 287 2HD LYS 24 3HD LYS 24 9.045 5.718 -1.698 288 1HE LYS 24 2HE LYS 24 6.626 5.980 -2.224 289 2HE LYS 24 3HE LYS 24 6.334 6.493 -0.553 290 1HZ LYS 24 3HZ LYS 24 7.738 8.386 -0.927 291 2HZ LYS 24 1HZ LYS 24 7.999 7.937 -2.493 292 3HZ LYS 24 2HZ LYS 24 6.493 8.350 -1.993 293 QB LYS 24 QB LYS 24 6.765 4.514 0.975 294 QG LYS 24 QG LYS 24 8.227 3.762 -0.901 295 QD LYS 24 QD LYS 24 8.894 5.956 -0.857 296 QE LYS 24 QE LYS 24 6.480 6.237 -1.388 297 QZ LYS 24 QZ LYS 24 7.410 8.225 -1.804 298 CH2 TRP 25 CH2 TRP 25 11.992 -3.756 5.518 299 H TRP 25 HN TRP 25 8.181 0.308 0.594 300 HA TRP 25 HA TRP 25 9.869 0.077 2.781 301 1HB TRP 25 2HB TRP 25 9.352 -1.675 1.064 302 2HB TRP 25 3HB TRP 25 10.535 -0.940 -0.004 303 HD1 TRP 25 HD1 TRP 25 12.924 -1.832 0.228 304 HE1 TRP 25 HE1 TRP 25 14.326 -3.039 1.981 305 HE3 TRP 25 HE3 TRP 25 9.349 -2.438 3.805 306 HZ2 TRP 25 HZ2 TRP 25 13.985 -3.988 4.708 307 HZ3 TRP 25 HZ3 TRP 25 9.905 -3.451 5.995 308 HH2 TRP 25 HH2 TRP 25 12.241 -4.166 6.488 309 QB TRP 25 QB TRP 25 9.943 -1.308 0.530 310 H LYS 26 HN LYS 26 10.424 1.958 -0.137 311 HA LYS 26 HA LYS 26 13.179 2.474 0.176 312 1HB LYS 26 2HB LYS 26 11.658 3.044 -1.764 313 2HB LYS 26 3HB LYS 26 11.109 4.453 -0.843 314 1HG LYS 26 2HG LYS 26 13.433 5.312 -0.767 315 2HG LYS 26 3HG LYS 26 14.005 3.851 -1.604 316 1HD LYS 26 2HD LYS 26 12.547 4.387 -3.548 317 2HD LYS 26 3HD LYS 26 12.058 5.899 -2.784 318 1HE LYS 26 2HE LYS 26 14.913 5.114 -3.597 319 2HE LYS 26 3HE LYS 26 13.837 6.155 -4.532 320 1HZ LYS 26 2HZ LYS 26 14.852 6.782 -1.837 321 2HZ LYS 26 3HZ LYS 26 15.398 7.416 -3.247 322 3HZ LYS 26 1HZ LYS 26 13.871 7.744 -2.749 323 QB LYS 26 QB LYS 26 11.383 3.748 -1.304 324 QG LYS 26 QG LYS 26 13.719 4.581 -1.186 325 QD LYS 26 QD LYS 26 12.302 5.143 -3.166 326 QE LYS 26 QE LYS 26 14.375 5.634 -4.065 327 QZ LYS 26 QZ LYS 26 14.707 7.314 -2.611 328 H ALA 27 HN ALA 27 10.327 3.950 1.768 329 HA ALA 27 HA ALA 27 11.995 5.933 3.216 330 1HB ALA 27 3HB ALA 27 9.893 6.696 2.160 331 2HB ALA 27 1HB ALA 27 8.978 5.523 3.137 332 3HB ALA 27 2HB ALA 27 9.847 6.851 3.926 333 QB ALA 27 QB ALA 27 9.573 6.357 3.074 334 H LYS 28 HN LYS 28 10.286 2.928 3.630 335 HA LYS 28 HA LYS 28 9.996 1.490 5.228 336 1HB LYS 28 2HB LYS 28 12.134 2.983 6.774 337 2HB LYS 28 3HB LYS 28 11.331 1.557 7.407 338 1HG LYS 28 2HG LYS 28 12.427 0.110 6.122 339 2HG LYS 28 3HG LYS 28 12.196 1.087 4.680 340 1HD LYS 28 2HD LYS 28 14.066 2.629 5.543 341 2HD LYS 28 3HD LYS 28 14.343 1.429 6.811 342 1HE LYS 28 2HE LYS 28 15.928 1.025 5.033 343 2HE LYS 28 3HE LYS 28 14.762 -0.304 5.029 344 1HZ LYS 28 1HZ LYS 28 14.728 2.043 3.212 345 2HZ LYS 28 2HZ LYS 28 15.209 0.522 2.814 346 3HZ LYS 28 3HZ LYS 28 13.635 0.837 3.163 347 QB LYS 28 QB LYS 28 11.733 2.270 7.090 348 QG LYS 28 QG LYS 28 12.311 0.599 5.401 349 QD LYS 28 QD LYS 28 14.205 2.029 6.177 350 QE LYS 28 QE LYS 28 15.345 0.361 5.031 351 QZ LYS 28 QZ LYS 28 14.524 1.134 3.063 352 H GLN 29 HN GLN 29 8.144 3.494 4.853 353 HA GLN 29 HA GLN 29 6.862 3.486 7.505 354 1HB GLN 29 2HB GLN 29 7.306 6.044 5.902 355 2HB GLN 29 3HB GLN 29 6.155 5.853 7.241 356 1HG GLN 29 2HG GLN 29 8.034 5.217 8.758 357 2HG GLN 29 3HG GLN 29 9.184 5.506 7.445 358 1HE2 GLN 29 2HE2 GLN 29 7.448 9.067 8.261 359 2HE2 GLN 29 1HE2 GLN 29 6.531 7.803 7.468 360 QB GLN 29 QB GLN 29 6.731 5.949 6.572 361 QG GLN 29 QG GLN 29 8.609 5.361 8.101 362 QE2 GLN 29 QE2 GLN 29 6.990 8.435 7.865 363 H CYS 30 HN CYS 30 4.681 3.842 7.482 364 HA CYS 30 HA CYS 30 3.195 2.865 5.171 365 1HB CYS 30 2HB CYS 30 2.401 3.789 7.938 366 2HB CYS 30 3HB CYS 30 1.269 3.151 6.733 367 QB CYS 30 QB CYS 30 1.835 3.470 7.336 368 H LEU 31 HN LEU 31 1.975 4.135 3.807 369 HA LEU 31 HA LEU 31 1.571 7.002 4.419 370 1HB LEU 31 2HB LEU 31 2.725 5.876 1.835 371 2HB LEU 31 3HB LEU 31 2.421 7.583 2.143 372 HG LEU 31 HG LEU 31 4.511 5.854 3.551 373 1HD1 LEU 31 3HD1 LEU 31 4.919 6.193 1.164 374 2HD1 LEU 31 1HD1 LEU 31 4.823 7.952 1.375 375 3HD1 LEU 31 2HD1 LEU 31 6.131 7.029 2.157 376 1HD2 LEU 31 3HD2 LEU 31 3.745 7.842 4.918 377 2HD2 LEU 31 1HD2 LEU 31 5.442 7.900 4.421 378 3HD2 LEU 31 2HD2 LEU 31 4.226 8.887 3.572 379 QB LEU 31 QB LEU 31 2.573 6.730 1.989 380 QD1 LEU 31 QD1 LEU 31 5.291 7.058 1.565 381 QD2 LEU 31 QD2 LEU 31 4.471 8.210 4.303 382 QQD LEU 31 QQD LEU 31 4.881 7.634 2.934 383 HA PRO 32 HA PRO 32 -2.310 5.978 2.367 384 1HB PRO 32 2HB PRO 32 -3.339 8.438 1.908 385 2HB PRO 32 3HB PRO 32 -3.135 7.805 3.560 386 1HG PRO 32 2HG PRO 32 -1.265 9.646 2.041 387 2HG PRO 32 3HG PRO 32 -1.898 9.864 3.701 388 1HD PRO 32 2HD PRO 32 0.561 8.779 3.194 389 2HD PRO 32 3HD PRO 32 -0.448 8.210 4.559 390 QB PRO 32 QB PRO 32 -3.237 8.121 2.734 391 QG PRO 32 QG PRO 32 -1.581 9.755 2.871 392 QD PRO 32 QD PRO 32 0.056 8.494 3.876 393 H PHE 33 HN PHE 33 -3.333 6.125 0.211 394 HA PHE 33 HA PHE 33 -2.437 7.915 -1.789 395 1HB PHE 33 2HB PHE 33 -1.305 6.551 -3.302 396 2HB PHE 33 3HB PHE 33 -0.515 6.167 -1.798 397 HD1 PHE 33 2HD PHE 33 -1.687 4.036 -0.473 398 HD2 PHE 33 1HD PHE 33 -2.293 4.886 -4.609 399 HE1 PHE 33 2HE PHE 33 -1.816 1.596 -0.962 400 HE2 PHE 33 1HE PHE 33 -2.344 2.449 -5.112 401 HZ PHE 33 HZ PHE 33 -1.942 0.805 -3.304 402 QB PHE 33 QB PHE 33 -0.910 6.359 -2.550 403 QR PHE 33 QR PHE 33 -2.035 3.242 -2.789 404 H ASP 34 HN ASP 34 -3.496 6.958 -4.066 405 HA ASP 34 HA ASP 34 -6.154 5.811 -3.349 406 1HB ASP 34 2HB ASP 34 -5.402 8.158 -4.982 407 2HB ASP 34 3HB ASP 34 -6.358 6.974 -5.878 408 QB ASP 34 QB ASP 34 -5.880 7.566 -5.430 409 OH TYR 35 OH TYR 35 -5.350 -3.697 -7.099 410 H TYR 35 HN TYR 35 -6.304 3.772 -3.908 411 HA TYR 35 HA TYR 35 -4.417 2.583 -5.816 412 1HB TYR 35 2HB TYR 35 -4.857 1.428 -3.717 413 2HB TYR 35 3HB TYR 35 -6.589 1.456 -4.026 414 HD1 TYR 35 HD1 TYR 35 -3.553 0.353 -6.021 415 HD2 TYR 35 HD2 TYR 35 -7.417 -0.668 -4.442 416 HE1 TYR 35 HE1 TYR 35 -3.595 -1.701 -7.399 417 HE2 TYR 35 HE2 TYR 35 -7.141 -2.983 -5.353 418 HH TYR 35 HH TYR 35 -6.146 -4.212 -6.948 419 QB TYR 35 QB TYR 35 -5.723 1.442 -3.872 420 QR TYR 35 QR TYR 35 -5.426 -1.250 -5.803 421 H SER 36 HN SER 36 -4.981 1.436 -7.692 422 HA SER 36 HA SER 36 -7.101 2.760 -9.161 423 1HB SER 36 2HB SER 36 -6.296 1.661 -11.044 424 2HB SER 36 3HB SER 36 -4.861 2.171 -10.180 425 HG SER 36 HG SER 36 -4.587 0.041 -9.515 426 QB SER 36 QB SER 36 -5.579 1.916 -10.612 427 H GLY 37 HN GLY 37 -7.008 -0.071 -7.226 428 1HA GLY 37 1HA GLY 37 -8.675 -1.646 -6.808 429 2HA GLY 37 2HA GLY 37 -9.723 -0.773 -7.913 430 QA GLY 37 QA GLY 37 -9.199 -1.209 -7.361 431 H CYS 38 HN CYS 38 -6.617 -1.797 -9.207 432 HA CYS 38 HA CYS 38 -7.578 -4.426 -10.084 433 1HB CYS 38 2HB CYS 38 -6.643 -2.352 -12.080 434 2HB CYS 38 3HB CYS 38 -7.203 -3.965 -12.458 435 QB CYS 38 QB CYS 38 -6.923 -3.159 -12.269 436 H GLY 39 HN GLY 39 -5.714 -5.699 -10.621 437 1HA GLY 39 1HA GLY 39 -3.520 -6.344 -10.633 438 2HA GLY 39 2HA GLY 39 -3.371 -4.913 -11.657 439 QA GLY 39 QA GLY 39 -3.445 -5.628 -11.145 440 H GLY 40 HN GLY 40 -4.018 -4.652 -8.145 441 1HA GLY 40 1HA GLY 40 -1.651 -3.129 -7.750 442 2HA GLY 40 2HA GLY 40 -2.761 -3.667 -6.488 443 QA GLY 40 QA GLY 40 -2.206 -3.398 -7.119 444 H ASN 41 HN ASN 41 -1.056 -4.140 -5.045 445 HA ASN 41 HA ASN 41 -0.040 -6.886 -5.424 446 1HB ASN 41 2HB ASN 41 2.053 -6.352 -4.455 447 2HB ASN 41 3HB ASN 41 1.852 -5.363 -5.871 448 1HD2 ASN 41 2HD2 ASN 41 3.073 -2.738 -3.719 449 2HD2 ASN 41 1HD2 ASN 41 3.501 -3.880 -4.969 450 QB ASN 41 QB ASN 41 1.952 -5.858 -5.163 451 QD2 ASN 41 QD2 ASN 41 3.287 -3.309 -4.344 452 H ALA 42 HN ALA 42 1.097 -7.158 -2.906 453 HA ALA 42 HA ALA 42 -1.344 -7.305 -1.241 454 1HB ALA 42 2HB ALA 42 0.106 -9.288 -1.468 455 2HB ALA 42 3HB ALA 42 1.470 -8.374 -0.803 456 3HB ALA 42 1HB ALA 42 0.058 -8.716 0.211 457 QB ALA 42 QB ALA 42 0.544 -8.792 -0.686 458 H ASN 43 HN ASN 43 1.240 -5.052 -1.586 459 HA ASN 43 HA ASN 43 1.467 -4.383 1.272 460 1HB ASN 43 2HB ASN 43 3.369 -4.276 -0.429 461 2HB ASN 43 3HB ASN 43 2.562 -2.876 -1.144 462 1HD2 ASN 43 2HD2 ASN 43 5.036 -1.444 1.147 463 2HD2 ASN 43 1HD2 ASN 43 5.042 -2.339 -0.329 464 QB ASN 43 QB ASN 43 2.965 -3.576 -0.786 465 QD2 ASN 43 QD2 ASN 43 5.039 -1.892 0.409 466 NH1 ARG 44 NH2 ARG 44 -6.038 -3.843 -2.557 467 NH2 ARG 44 NH1 ARG 44 -4.388 -5.347 -3.208 468 H ARG 44 HN ARG 44 -1.046 -4.193 1.185 469 HA ARG 44 HA ARG 44 -1.783 -1.378 0.653 470 1HB ARG 44 2HB ARG 44 -1.900 -2.666 -1.482 471 2HB ARG 44 3HB ARG 44 -3.162 -3.664 -0.736 472 1HG ARG 44 2HG ARG 44 -4.626 -1.679 -0.559 473 2HG ARG 44 3HG ARG 44 -3.297 -0.600 -0.974 474 1HD ARG 44 2HD ARG 44 -5.058 -1.286 -2.804 475 2HD ARG 44 3HD ARG 44 -3.359 -1.091 -3.195 476 HE ARG 44 HE ARG 44 -3.011 -3.314 -3.509 477 1HH1 ARG 44 2HH2 ARG 44 -6.296 -2.892 -2.341 478 2HH1 ARG 44 1HH2 ARG 44 -6.717 -4.576 -2.414 479 1HH2 ARG 44 2HH1 ARG 44 -3.392 -5.531 -3.356 480 2HH2 ARG 44 1HH1 ARG 44 -4.998 -6.137 -3.072 481 QB ARG 44 QB ARG 44 -2.531 -3.165 -1.109 482 QG ARG 44 QG ARG 44 -3.961 -1.139 -0.766 483 QD ARG 44 QD ARG 44 -4.209 -1.188 -3.000 484 QH1 ARG 44 QH2 ARG 44 -6.507 -3.734 -2.377 485 QH2 ARG 44 QH1 ARG 44 -4.195 -5.834 -3.214 486 H PHE 45 HN PHE 45 -3.176 -0.708 2.127 487 HA PHE 45 HA PHE 45 -4.629 -2.585 3.975 488 1HB PHE 45 2HB PHE 45 -2.756 -0.304 4.624 489 2HB PHE 45 3HB PHE 45 -3.585 -1.326 5.769 490 HD1 PHE 45 2HD PHE 45 -2.911 -3.814 5.924 491 HD2 PHE 45 1HD PHE 45 -0.709 -0.971 3.556 492 HE1 PHE 45 2HE PHE 45 -0.931 -5.283 6.000 493 HE2 PHE 45 1HE PHE 45 1.318 -2.384 3.745 494 HZ PHE 45 HZ PHE 45 1.226 -4.529 4.971 495 QB PHE 45 QB PHE 45 -3.171 -0.815 5.196 496 QR PHE 45 QR PHE 45 -0.808 -3.113 4.806 497 H LYS 46 HN LYS 46 -6.520 -1.775 4.766 498 HA LYS 46 HA LYS 46 -7.518 0.697 3.573 499 1HB LYS 46 2HB LYS 46 -9.581 0.254 4.629 500 2HB LYS 46 3HB LYS 46 -9.043 -1.146 3.719 501 1HG LYS 46 2HG LYS 46 -8.528 -1.048 6.710 502 2HG LYS 46 3HG LYS 46 -10.164 -1.293 6.109 503 1HD LYS 46 2HD LYS 46 -9.152 -3.257 4.694 504 2HD LYS 46 3HD LYS 46 -7.729 -3.061 5.728 505 1HE LYS 46 2HE LYS 46 -8.971 -4.766 6.746 506 2HE LYS 46 3HE LYS 46 -9.183 -3.335 7.758 507 1HZ LYS 46 3HZ LYS 46 -11.345 -3.032 6.723 508 2HZ LYS 46 1HZ LYS 46 -11.123 -4.386 5.807 509 3HZ LYS 46 2HZ LYS 46 -11.212 -4.502 7.444 510 QB LYS 46 QB LYS 46 -9.312 -0.446 4.174 511 QG LYS 46 QG LYS 46 -9.346 -1.171 6.409 512 QD LYS 46 QD LYS 46 -8.440 -3.159 5.211 513 QE LYS 46 QE LYS 46 -9.077 -4.051 7.252 514 QZ LYS 46 QZ LYS 46 -11.226 -3.973 6.658 515 H THR 47 HN THR 47 -5.663 -0.003 6.389 516 HA THR 47 HA THR 47 -6.123 2.799 7.270 517 HB THR 47 HB THR 47 -6.235 2.301 9.584 518 HG1 THR 47 1HG THR 47 -6.541 0.004 10.165 519 1HG2 THR 47 3HG2 THR 47 -8.392 2.306 8.312 520 2HG2 THR 47 1HG2 THR 47 -8.318 0.536 8.250 521 3HG2 THR 47 2HG2 THR 47 -8.435 1.360 9.808 522 QG2 THR 47 QG2 THR 47 -8.381 1.401 8.790 523 H ILE 48 HN ILE 48 -4.430 3.805 8.236 524 HA ILE 48 HA ILE 48 -1.808 2.945 7.707 525 HB ILE 48 HB ILE 48 -2.707 5.314 8.387 526 1HG1 ILE 48 2HG1 ILE 48 -0.519 5.874 9.643 527 2HG1 ILE 48 3HG1 ILE 48 -0.086 4.170 9.433 528 1HG2 ILE 48 2HG2 ILE 48 -3.709 4.493 10.577 529 2HG2 ILE 48 3HG2 ILE 48 -2.044 4.353 11.193 530 3HG2 ILE 48 1HG2 ILE 48 -2.673 5.925 10.697 531 1HD1 ILE 48 1HD1 ILE 48 -0.424 4.501 6.943 532 2HD1 ILE 48 2HD1 ILE 48 -0.712 6.223 7.272 533 3HD1 ILE 48 3HD1 ILE 48 0.864 5.509 7.648 534 QG1 ILE 48 QG1 ILE 48 -0.302 5.022 9.538 535 QG2 ILE 48 QG2 ILE 48 -2.808 4.924 10.822 536 QD1 ILE 48 QD1 ILE 48 -0.091 5.411 7.287 537 H GLU 49 HN GLU 49 -3.904 2.353 10.520 538 HA GLU 49 HA GLU 49 -1.759 1.314 12.104 539 1HB GLU 49 2HB GLU 49 -4.595 1.857 12.455 540 2HB GLU 49 3HB GLU 49 -4.325 0.177 12.904 541 1HG GLU 49 2HG GLU 49 -4.139 1.722 14.817 542 2HG GLU 49 3HG GLU 49 -2.631 0.831 14.524 543 QB GLU 49 QB GLU 49 -4.460 1.017 12.679 544 QG GLU 49 QG GLU 49 -3.385 1.276 14.671 545 H GLU 50 HN GLU 50 -4.048 -0.247 9.861 546 HA GLU 50 HA GLU 50 -3.268 -2.905 10.537 547 1HB GLU 50 2HB GLU 50 -5.200 -1.965 9.020 548 2HB GLU 50 3HB GLU 50 -4.026 -2.087 7.724 549 1HG GLU 50 2HG GLU 50 -4.507 -4.312 7.562 550 2HG GLU 50 3HG GLU 50 -4.016 -4.581 9.238 551 QB GLU 50 QB GLU 50 -4.613 -2.026 8.372 552 QG GLU 50 QG GLU 50 -4.261 -4.446 8.400 553 H CYS 51 HN CYS 51 -2.089 -0.573 8.066 554 HA CYS 51 HA CYS 51 0.043 -2.144 7.055 555 1HB CYS 51 2HB CYS 51 -0.629 -0.065 5.942 556 2HB CYS 51 3HB CYS 51 -0.166 0.893 7.341 557 QB CYS 51 QB CYS 51 -0.398 0.414 6.641 558 NH1 ARG 52 NH2 ARG 52 -0.030 4.929 13.566 559 NH2 ARG 52 NH1 ARG 52 1.239 6.008 11.974 560 H ARG 52 HN ARG 52 0.146 0.349 9.612 561 HA ARG 52 HA ARG 52 2.815 0.069 10.330 562 1HB ARG 52 2HB ARG 52 1.136 1.817 11.021 563 2HB ARG 52 3HB ARG 52 0.452 0.661 12.169 564 1HG ARG 52 2HG ARG 52 2.551 0.617 13.417 565 2HG ARG 52 3HG ARG 52 3.336 1.661 12.221 566 1HD ARG 52 2HD ARG 52 0.878 2.410 13.854 567 2HD ARG 52 3HD ARG 52 2.519 2.873 14.288 568 HE ARG 52 HE ARG 52 2.485 3.855 11.836 569 1HH1 ARG 52 2HH2 ARG 52 -0.309 4.069 14.056 570 2HH1 ARG 52 1HH2 ARG 52 -0.732 5.655 13.572 571 1HH2 ARG 52 2HH1 ARG 52 2.048 6.048 11.369 572 2HH2 ARG 52 1HH1 ARG 52 0.650 6.823 12.055 573 QB ARG 52 QB ARG 52 0.794 1.239 11.595 574 QG ARG 52 QG ARG 52 2.943 1.139 12.819 575 QD ARG 52 QD ARG 52 1.698 2.642 14.071 576 QH1 ARG 52 QH2 ARG 52 -0.520 4.862 13.814 577 QH2 ARG 52 QH1 ARG 52 1.349 6.436 11.712 578 NH1 ARG 53 NH2 ARG 53 -3.568 -3.368 14.241 579 NH2 ARG 53 NH1 ARG 53 -4.849 -4.850 15.474 580 H ARG 53 HN ARG 53 -0.014 -1.746 11.611 581 HA ARG 53 HA ARG 53 1.670 -3.184 13.464 582 1HB ARG 53 2HB ARG 53 -0.667 -2.546 13.826 583 2HB ARG 53 3HB ARG 53 -1.203 -3.758 12.639 584 1HG ARG 53 2HG ARG 53 -0.743 -5.543 14.093 585 2HG ARG 53 3HG ARG 53 0.631 -4.711 14.804 586 1HD ARG 53 2HD ARG 53 -0.660 -4.585 16.599 587 2HD ARG 53 3HD ARG 53 -1.233 -3.101 15.883 588 HE ARG 53 HE ARG 53 -2.656 -5.531 16.456 589 1HH1 ARG 53 2HH2 ARG 53 -2.661 -2.992 14.006 590 2HH1 ARG 53 1HH2 ARG 53 -4.372 -3.050 13.720 591 1HH2 ARG 53 2HH1 ARG 53 -4.934 -5.558 16.189 592 2HH2 ARG 53 1HH1 ARG 53 -5.690 -4.542 15.007 593 QB ARG 53 QB ARG 53 -0.935 -3.152 13.232 594 QG ARG 53 QG ARG 53 -0.056 -5.127 14.448 595 QD ARG 53 QD ARG 53 -0.947 -3.843 16.241 596 QH1 ARG 53 QH2 ARG 53 -3.517 -3.021 13.863 597 QH2 ARG 53 QH1 ARG 53 -5.312 -5.050 15.598 598 H THR 54 HN THR 54 0.711 -3.785 10.124 599 HA THR 54 HA THR 54 1.463 -6.587 10.147 600 HB THR 54 HB THR 54 1.317 -4.557 7.888 601 HG1 THR 54 1HG THR 54 -0.664 -4.950 8.868 602 1HG2 THR 54 3HG2 THR 54 1.516 -7.604 7.800 603 2HG2 THR 54 1HG2 THR 54 1.150 -6.552 6.424 604 3HG2 THR 54 2HG2 THR 54 2.735 -6.458 7.196 605 QG2 THR 54 QG2 THR 54 1.801 -6.871 7.140 606 H CYS 55 HN CYS 55 3.223 -3.533 9.306 607 HA CYS 55 HA CYS 55 5.614 -5.248 8.777 608 1HB CYS 55 2HB CYS 55 4.734 -3.693 7.072 609 2HB CYS 55 3HB CYS 55 5.385 -2.353 8.030 610 QB CYS 55 QB CYS 55 5.060 -3.023 7.551 611 H VAL 56 HN VAL 56 4.667 -2.501 10.751 612 HA VAL 56 HA VAL 56 7.258 -2.445 12.210 613 HB VAL 56 HB VAL 56 4.877 -0.550 12.511 614 1HG1 VAL 56 1HG1 VAL 56 7.825 -0.242 13.203 615 2HG1 VAL 56 2HG1 VAL 56 6.634 1.072 13.235 616 3HG1 VAL 56 3HG1 VAL 56 6.452 -0.272 14.337 617 1HG2 VAL 56 2HG2 VAL 56 7.226 -0.247 10.603 618 2HG2 VAL 56 3HG2 VAL 56 5.504 -0.396 10.164 619 3HG2 VAL 56 1HG2 VAL 56 6.065 1.033 11.019 620 QG1 VAL 56 QG1 VAL 56 6.970 0.186 13.592 621 QG2 VAL 56 QG2 VAL 56 6.265 0.130 10.595 622 QQG VAL 56 QQG VAL 56 6.618 0.158 12.093 623 H GLY 57 HN GLY 57 6.802 -2.211 14.694 624 1HA GLY 57 1HA GLY 57 5.539 -2.760 16.626 625 2HA GLY 57 2HA GLY 57 4.450 -3.764 15.656 626 QA GLY 57 QA GLY 57 4.995 -3.262 16.141 Start of MODEL 13 Raw file had 626 H/Q atoms Start of MODEL 13 1 H ALA 1 HN ALA 1 5.807 -8.647 9.842 2 HA ALA 1 HA ALA 1 6.786 -6.646 8.120 3 1HB ALA 1 3HB ALA 1 8.982 -8.270 9.408 4 2HB ALA 1 1HB ALA 1 9.143 -7.206 7.986 5 3HB ALA 1 2HB ALA 1 8.724 -6.517 9.564 6 QB ALA 1 QB ALA 1 8.950 -7.331 8.986 7 H ALA 2 HN ALA 2 6.851 -7.422 6.041 8 HA ALA 2 HA ALA 2 6.518 -10.354 5.625 9 1HB ALA 2 1HB ALA 2 4.244 -9.341 6.005 10 2HB ALA 2 2HB ALA 2 4.573 -8.204 4.678 11 3HB ALA 2 3HB ALA 2 4.461 -9.947 4.349 12 QB ALA 2 QB ALA 2 4.426 -9.164 5.011 13 H LYS 3 HN LYS 3 6.855 -10.973 3.368 14 HA LYS 3 HA LYS 3 8.959 -9.601 2.123 15 1HB LYS 3 2HB LYS 3 7.303 -11.934 1.488 16 2HB LYS 3 3HB LYS 3 7.591 -10.972 0.035 17 1HG LYS 3 2HG LYS 3 10.024 -11.043 0.398 18 2HG LYS 3 3HG LYS 3 9.773 -11.883 1.934 19 1HD LYS 3 2HD LYS 3 10.442 -13.512 0.339 20 2HD LYS 3 3HD LYS 3 8.742 -13.801 0.736 21 1HE LYS 3 2HE LYS 3 8.037 -12.721 -1.386 22 2HE LYS 3 3HE LYS 3 9.718 -12.289 -1.747 23 1HZ LYS 3 3HZ LYS 3 10.209 -14.649 -1.881 24 2HZ LYS 3 1HZ LYS 3 8.636 -15.026 -1.579 25 3HZ LYS 3 2HZ LYS 3 9.041 -14.220 -2.949 26 QB LYS 3 QB LYS 3 7.447 -11.453 0.761 27 QG LYS 3 QG LYS 3 9.899 -11.463 1.166 28 QD LYS 3 QD LYS 3 9.592 -13.657 0.537 29 QE LYS 3 QE LYS 3 8.878 -12.505 -1.567 30 QZ LYS 3 QZ LYS 3 9.295 -14.632 -2.136 31 OH TYR 4 OH TYR 4 1.095 -8.514 5.139 32 H TYR 4 HN TYR 4 5.465 -9.463 1.421 33 HA TYR 4 HA TYR 4 5.682 -7.714 -0.765 34 1HB TYR 4 2HB TYR 4 3.302 -7.288 -0.442 35 2HB TYR 4 3HB TYR 4 3.742 -9.001 -0.364 36 HD1 TYR 4 HD2 TYR 4 3.074 -6.038 1.898 37 HD2 TYR 4 HD1 TYR 4 2.733 -10.301 1.299 38 HE1 TYR 4 HE2 TYR 4 2.093 -6.281 4.135 39 HE2 TYR 4 HE1 TYR 4 1.511 -10.492 3.436 40 HH TYR 4 HH TYR 4 0.724 -9.385 5.295 41 QB TYR 4 QB TYR 4 3.522 -8.144 -0.403 42 QR TYR 4 QR TYR 4 2.353 -8.278 2.692 43 H CYS 5 HN CYS 5 6.097 -7.013 2.598 44 HA CYS 5 HA CYS 5 5.305 -4.267 2.616 45 1HB CYS 5 2HB CYS 5 5.922 -5.726 4.606 46 2HB CYS 5 3HB CYS 5 7.619 -5.400 4.215 47 QB CYS 5 QB CYS 5 6.771 -5.563 4.411 48 H LYS 6 HN LYS 6 8.036 -5.923 1.244 49 HA LYS 6 HA LYS 6 9.632 -3.538 0.754 50 1HB LYS 6 2HB LYS 6 9.863 -6.421 0.015 51 2HB LYS 6 3HB LYS 6 10.817 -5.210 -0.861 52 1HG LYS 6 2HG LYS 6 11.950 -4.480 0.987 53 2HG LYS 6 3HG LYS 6 10.711 -5.017 2.132 54 1HD LYS 6 2HD LYS 6 12.757 -6.187 2.416 55 2HD LYS 6 3HD LYS 6 11.422 -7.272 2.029 56 1HE LYS 6 2HE LYS 6 13.581 -6.317 0.058 57 2HE LYS 6 3HE LYS 6 13.635 -7.845 0.948 58 1HZ LYS 6 3HZ LYS 6 11.555 -8.454 -0.142 59 2HZ LYS 6 1HZ LYS 6 11.632 -7.095 -1.063 60 3HZ LYS 6 2HZ LYS 6 12.799 -8.244 -1.202 61 QB LYS 6 QB LYS 6 10.340 -5.815 -0.423 62 QG LYS 6 QG LYS 6 11.331 -4.748 1.560 63 QD LYS 6 QD LYS 6 12.090 -6.730 2.223 64 QE LYS 6 QE LYS 6 13.608 -7.081 0.503 65 QZ LYS 6 QZ LYS 6 11.996 -7.931 -0.802 66 H LEU 7 HN LEU 7 6.741 -4.627 -0.798 67 HA LEU 7 HA LEU 7 7.548 -3.867 -3.463 68 1HB LEU 7 2HB LEU 7 4.813 -4.295 -2.231 69 2HB LEU 7 3HB LEU 7 5.154 -4.096 -3.950 70 HG LEU 7 HG LEU 7 6.466 -6.338 -2.386 71 1HD1 LEU 7 2HD1 LEU 7 3.787 -6.315 -2.403 72 2HD1 LEU 7 3HD1 LEU 7 4.064 -6.830 -4.084 73 3HD1 LEU 7 1HD1 LEU 7 4.691 -7.804 -2.780 74 1HD2 LEU 7 2HD2 LEU 7 5.746 -5.906 -5.324 75 2HD2 LEU 7 3HD2 LEU 7 7.385 -5.872 -4.628 76 3HD2 LEU 7 1HD2 LEU 7 6.451 -7.389 -4.658 77 QB LEU 7 QB LEU 7 4.984 -4.195 -3.090 78 QD1 LEU 7 QD1 LEU 7 4.181 -6.983 -3.089 79 QD2 LEU 7 QD2 LEU 7 6.527 -6.389 -4.870 80 QQD LEU 7 QQD LEU 7 5.354 -6.686 -3.979 81 HA PRO 8 HA PRO 8 6.910 0.474 -2.805 82 1HB PRO 8 2HB PRO 8 7.083 1.456 -5.342 83 2HB PRO 8 3HB PRO 8 8.423 0.525 -4.620 84 1HG PRO 8 2HG PRO 8 6.203 -0.545 -6.396 85 2HG PRO 8 3HG PRO 8 7.969 -0.682 -6.665 86 1HD PRO 8 2HD PRO 8 6.521 -2.641 -5.421 87 2HD PRO 8 3HD PRO 8 8.200 -2.245 -4.908 88 QB PRO 8 QB PRO 8 7.753 0.991 -4.981 89 QG PRO 8 QG PRO 8 7.086 -0.613 -6.530 90 QD PRO 8 QD PRO 8 7.360 -2.443 -5.165 91 H LEU 9 HN LEU 9 5.620 2.345 -4.139 92 HA LEU 9 HA LEU 9 2.904 2.127 -3.432 93 1HB LEU 9 2HB LEU 9 4.102 4.248 -3.520 94 2HB LEU 9 3HB LEU 9 4.342 4.100 -5.256 95 HG LEU 9 HG LEU 9 2.075 4.490 -5.757 96 1HD1 LEU 9 1HD1 LEU 9 1.369 4.033 -2.824 97 2HD1 LEU 9 2HD1 LEU 9 0.289 4.677 -4.060 98 3HD1 LEU 9 3HD1 LEU 9 0.867 3.024 -4.188 99 1HD2 LEU 9 3HD2 LEU 9 3.255 6.512 -5.017 100 2HD2 LEU 9 1HD2 LEU 9 1.541 6.598 -4.585 101 3HD2 LEU 9 2HD2 LEU 9 2.740 6.215 -3.340 102 QB LEU 9 QB LEU 9 4.222 4.174 -4.388 103 QD1 LEU 9 QD1 LEU 9 0.842 3.911 -3.691 104 QD2 LEU 9 QD2 LEU 9 2.512 6.442 -4.314 105 QQD LEU 9 QQD LEU 9 1.677 5.176 -4.002 106 NH1 ARG 10 NH2 ARG 10 2.296 -2.023 -10.572 107 NH2 ARG 10 NH1 ARG 10 1.024 -3.742 -11.481 108 H ARG 10 HN ARG 10 1.951 0.392 -4.382 109 HA ARG 10 HA ARG 10 1.880 0.222 -7.304 110 1HB ARG 10 2HB ARG 10 2.472 -1.651 -5.817 111 2HB ARG 10 3HB ARG 10 0.839 -1.644 -5.154 112 1HG ARG 10 2HG ARG 10 1.893 -2.953 -7.495 113 2HG ARG 10 3HG ARG 10 0.332 -3.129 -6.745 114 1HD ARG 10 2HD ARG 10 -0.691 -1.549 -8.179 115 2HD ARG 10 3HD ARG 10 0.817 -0.865 -8.757 116 HE ARG 10 HE ARG 10 -0.365 -3.459 -9.468 117 1HH1 ARG 10 2HH2 ARG 10 2.480 -1.399 -9.800 118 2HH1 ARG 10 1HH2 ARG 10 2.962 -2.061 -11.328 119 1HH2 ARG 10 2HH1 ARG 10 0.262 -4.400 -11.362 120 2HH2 ARG 10 1HH1 ARG 10 1.633 -3.827 -12.282 121 QB ARG 10 QB ARG 10 1.655 -1.648 -5.485 122 QG ARG 10 QG ARG 10 1.113 -3.041 -7.120 123 QD ARG 10 QD ARG 10 0.063 -1.207 -8.468 124 QH1 ARG 10 QH2 ARG 10 2.721 -1.730 -10.564 125 QH2 ARG 10 QH1 ARG 10 0.947 -4.113 -11.822 126 H ILE 11 HN ILE 11 0.526 2.163 -7.561 127 HA ILE 11 HA ILE 11 -2.206 2.223 -6.647 128 HB ILE 11 HB ILE 11 -0.856 3.554 -9.021 129 1HG1 ILE 11 2HG1 ILE 11 -1.789 4.850 -6.442 130 2HG1 ILE 11 3HG1 ILE 11 -0.208 4.076 -6.506 131 1HG2 ILE 11 1HG2 ILE 11 -3.658 3.846 -7.842 132 2HG2 ILE 11 2HG2 ILE 11 -2.930 5.079 -8.881 133 3HG2 ILE 11 3HG2 ILE 11 -3.233 3.460 -9.514 134 1HD1 ILE 11 3HD1 ILE 11 -1.104 6.317 -8.343 135 2HD1 ILE 11 1HD1 ILE 11 -0.057 6.465 -6.916 136 3HD1 ILE 11 2HD1 ILE 11 0.494 5.522 -8.320 137 QG1 ILE 11 QG1 ILE 11 -0.999 4.463 -6.474 138 QG2 ILE 11 QG2 ILE 11 -3.273 4.128 -8.746 139 QD1 ILE 11 QD1 ILE 11 -0.223 6.101 -7.860 140 H GLY 12 HN GLY 12 -0.689 1.189 -9.704 141 1HA GLY 12 1HA GLY 12 -1.203 -0.866 -10.776 142 2HA GLY 12 2HA GLY 12 -2.860 -0.833 -10.157 143 QA GLY 12 QA GLY 12 -2.032 -0.850 -10.467 144 HA PRO 13 HA PRO 13 -2.384 1.356 -14.328 145 1HB PRO 13 2HB PRO 13 -2.914 -0.515 -16.203 146 2HB PRO 13 3HB PRO 13 -1.325 -0.419 -15.399 147 1HG PRO 13 2HG PRO 13 -3.637 -2.241 -14.678 148 2HG PRO 13 3HG PRO 13 -1.930 -2.700 -14.956 149 1HD PRO 13 2HD PRO 13 -2.938 -2.220 -12.439 150 2HD PRO 13 3HD PRO 13 -1.253 -1.800 -12.887 151 QB PRO 13 QB PRO 13 -2.119 -0.467 -15.801 152 QG PRO 13 QG PRO 13 -2.783 -2.471 -14.817 153 QD PRO 13 QD PRO 13 -2.096 -2.010 -12.663 154 H CYS 14 HN CYS 14 -4.994 -0.092 -12.497 155 HA CYS 14 HA CYS 14 -6.971 0.531 -14.605 156 1HB CYS 14 2HB CYS 14 -6.935 -0.777 -11.991 157 2HB CYS 14 3HB CYS 14 -8.359 0.166 -12.282 158 QB CYS 14 QB CYS 14 -7.647 -0.306 -12.137 159 H LYS 15 HN LYS 15 -8.702 1.969 -14.090 160 HA LYS 15 HA LYS 15 -7.347 4.561 -13.457 161 1HB LYS 15 2HB LYS 15 -8.856 5.576 -15.036 162 2HB LYS 15 3HB LYS 15 -7.965 4.264 -15.770 163 1HG LYS 15 2HG LYS 15 -9.771 2.924 -16.053 164 2HG LYS 15 3HG LYS 15 -10.636 3.481 -14.618 165 1HD LYS 15 2HD LYS 15 -10.317 5.292 -17.056 166 2HD LYS 15 3HD LYS 15 -11.549 4.044 -16.976 167 1HE LYS 15 2HE LYS 15 -12.584 6.084 -16.275 168 2HE LYS 15 3HE LYS 15 -12.491 4.978 -14.897 169 1HZ LYS 15 3HZ LYS 15 -10.614 7.206 -15.366 170 2HZ LYS 15 1HZ LYS 15 -11.904 7.247 -14.346 171 3HZ LYS 15 2HZ LYS 15 -10.671 6.218 -14.048 172 QB LYS 15 QB LYS 15 -8.411 4.920 -15.403 173 QG LYS 15 QG LYS 15 -10.204 3.203 -15.336 174 QD LYS 15 QD LYS 15 -10.933 4.668 -17.016 175 QE LYS 15 QE LYS 15 -12.538 5.531 -15.586 176 QZ LYS 15 QZ LYS 15 -11.063 6.890 -14.587 177 NH1 ARG 16 NH2 ARG 16 -13.963 2.550 -11.913 178 NH2 ARG 16 NH1 ARG 16 -14.360 4.746 -11.284 179 H ARG 16 HN ARG 16 -8.432 3.090 -11.395 180 HA ARG 16 HA ARG 16 -10.883 4.456 -10.458 181 1HB ARG 16 2HB ARG 16 -9.256 2.029 -9.755 182 2HB ARG 16 3HB ARG 16 -10.300 2.725 -8.511 183 1HG ARG 16 2HG ARG 16 -11.341 1.831 -11.231 184 2HG ARG 16 3HG ARG 16 -11.026 0.726 -9.887 185 1HD ARG 16 2HD ARG 16 -13.330 1.214 -9.659 186 2HD ARG 16 3HD ARG 16 -12.472 2.035 -8.376 187 HE ARG 16 HE ARG 16 -13.147 4.053 -9.166 188 1HH1 ARG 16 2HH2 ARG 16 -13.559 1.650 -11.695 189 2HH1 ARG 16 1HH2 ARG 16 -14.480 2.653 -12.773 190 1HH2 ARG 16 2HH1 ARG 16 -14.286 5.490 -10.604 191 2HH2 ARG 16 1HH1 ARG 16 -14.889 4.914 -12.126 192 QB ARG 16 QB ARG 16 -9.778 2.377 -9.133 193 QG ARG 16 QG ARG 16 -11.184 1.279 -10.559 194 QD ARG 16 QD ARG 16 -12.901 1.625 -9.018 195 QH1 ARG 16 QH2 ARG 16 -14.020 2.152 -12.234 196 QH2 ARG 16 QH1 ARG 16 -14.588 5.202 -11.365 197 H LYS 17 HN LYS 17 -10.639 4.892 -8.028 198 HA LYS 17 HA LYS 17 -8.072 5.889 -7.083 199 1HB LYS 17 2HB LYS 17 -10.404 7.796 -7.669 200 2HB LYS 17 3HB LYS 17 -9.103 8.125 -6.527 201 1HG LYS 17 2HG LYS 17 -8.147 9.191 -8.256 202 2HG LYS 17 3HG LYS 17 -7.528 7.587 -8.596 203 1HD LYS 17 2HD LYS 17 -8.296 8.369 -10.689 204 2HD LYS 17 3HD LYS 17 -9.555 7.275 -10.154 205 1HE LYS 17 2HE LYS 17 -11.009 8.927 -10.631 206 2HE LYS 17 3HE LYS 17 -10.515 9.625 -9.087 207 1HZ LYS 17 2HZ LYS 17 -8.859 10.914 -10.312 208 2HZ LYS 17 3HZ LYS 17 -9.405 10.295 -11.736 209 3HZ LYS 17 1HZ LYS 17 -10.389 11.234 -10.815 210 QB LYS 17 QB LYS 17 -9.754 7.961 -7.098 211 QG LYS 17 QG LYS 17 -7.838 8.389 -8.426 212 QD LYS 17 QD LYS 17 -8.926 7.822 -10.422 213 QE LYS 17 QE LYS 17 -10.762 9.276 -9.859 214 QZ LYS 17 QZ LYS 17 -9.551 10.814 -10.954 215 H ILE 18 HN ILE 18 -8.224 4.589 -5.315 216 HA ILE 18 HA ILE 18 -10.649 4.787 -3.591 217 HB ILE 18 HB ILE 18 -8.953 2.328 -4.135 218 1HG1 ILE 18 2HG1 ILE 18 -11.820 2.951 -4.976 219 2HG1 ILE 18 3HG1 ILE 18 -10.409 2.855 -6.043 220 1HG2 ILE 18 1HG2 ILE 18 -9.796 2.436 -1.800 221 2HG2 ILE 18 2HG2 ILE 18 -11.439 2.733 -2.405 222 3HG2 ILE 18 3HG2 ILE 18 -10.631 1.179 -2.692 223 1HD1 ILE 18 3HD1 ILE 18 -10.060 0.467 -5.223 224 2HD1 ILE 18 1HD1 ILE 18 -11.691 0.567 -4.522 225 3HD1 ILE 18 2HD1 ILE 18 -11.467 0.762 -6.265 226 QG1 ILE 18 QG1 ILE 18 -11.114 2.903 -5.509 227 QG2 ILE 18 QG2 ILE 18 -10.622 2.116 -2.299 228 QD1 ILE 18 QD1 ILE 18 -11.073 0.599 -5.336 229 HA PRO 19 HA PRO 19 -7.136 6.364 -1.182 230 1HB PRO 19 2HB PRO 19 -8.401 7.013 1.162 231 2HB PRO 19 3HB PRO 19 -8.485 7.993 -0.332 232 1HG PRO 19 2HG PRO 19 -10.470 5.898 0.596 233 2HG PRO 19 3HG PRO 19 -10.823 7.581 0.095 234 1HD PRO 19 2HD PRO 19 -11.097 5.556 -1.631 235 2HD PRO 19 3HD PRO 19 -10.311 7.063 -2.207 236 QB PRO 19 QB PRO 19 -8.443 7.503 0.415 237 QG PRO 19 QG PRO 19 -10.646 6.739 0.345 238 QD PRO 19 QD PRO 19 -10.704 6.310 -1.919 239 H SER 20 HN SER 20 -5.659 5.038 -0.244 240 HA SER 20 HA SER 20 -6.441 3.005 1.734 241 1HB SER 20 2HB SER 20 -4.727 2.206 -0.650 242 2HB SER 20 3HB SER 20 -5.452 1.168 0.585 243 HG SER 20 HG SER 20 -6.897 2.707 -1.308 244 QB SER 20 QB SER 20 -5.089 1.687 -0.033 245 H PHE 21 HN PHE 21 -4.250 1.867 2.329 246 HA PHE 21 HA PHE 21 -2.009 3.829 2.502 247 1HB PHE 21 2HB PHE 21 -3.222 2.120 4.706 248 2HB PHE 21 3HB PHE 21 -1.641 2.882 4.827 249 HD1 PHE 21 2HD PHE 21 -5.295 3.539 4.553 250 HD2 PHE 21 1HD PHE 21 -1.410 5.298 5.112 251 HE1 PHE 21 2HE PHE 21 -6.358 5.663 5.237 252 HE2 PHE 21 1HE PHE 21 -2.471 7.393 5.914 253 HZ PHE 21 HZ PHE 21 -4.948 7.598 5.926 254 QB PHE 21 QB PHE 21 -2.432 2.501 4.766 255 QR PHE 21 QR PHE 21 -3.884 5.473 5.204 256 OH TYR 22 OH TYR 22 4.296 5.072 -1.211 257 H TYR 22 HN TYR 22 0.092 2.851 2.425 258 HA TYR 22 HA TYR 22 0.304 -0.069 2.243 259 1HB TYR 22 2HB TYR 22 1.334 -0.061 0.181 260 2HB TYR 22 3HB TYR 22 -0.104 0.880 -0.137 261 HD1 TYR 22 HD2 TYR 22 0.325 3.555 0.330 262 HD2 TYR 22 HD1 TYR 22 3.368 0.661 -0.640 263 HE1 TYR 22 HE2 TYR 22 1.831 5.382 -0.314 264 HE2 TYR 22 HE1 TYR 22 4.884 2.480 -1.282 265 HH TYR 22 HH TYR 22 3.883 5.929 -1.070 266 QB TYR 22 QB TYR 22 0.615 0.409 0.022 267 QR TYR 22 QR TYR 22 2.602 3.019 -0.476 268 OH TYR 23 OH TYR 23 8.808 0.043 7.844 269 H TYR 23 HN TYR 23 2.715 -0.591 2.175 270 HA TYR 23 HA TYR 23 4.175 1.362 3.910 271 1HB TYR 23 2HB TYR 23 3.821 -1.068 4.598 272 2HB TYR 23 3HB TYR 23 4.999 -1.484 3.366 273 HD1 TYR 23 HD1 TYR 23 7.373 -0.569 3.567 274 HD2 TYR 23 HD2 TYR 23 4.472 -0.269 6.709 275 HE1 TYR 23 HE1 TYR 23 9.169 -0.433 5.262 276 HE2 TYR 23 HE2 TYR 23 6.250 0.317 8.318 277 HH TYR 23 HH TYR 23 9.676 -0.192 7.514 278 QB TYR 23 QB TYR 23 4.410 -1.276 3.982 279 QR TYR 23 QR TYR 23 6.816 -0.238 5.964 280 H LYS 24 HN LYS 24 5.604 2.702 2.902 281 HA LYS 24 HA LYS 24 6.752 1.855 0.275 282 1HB LYS 24 2HB LYS 24 5.963 4.174 0.586 283 2HB LYS 24 3HB LYS 24 7.161 4.396 1.855 284 1HG LYS 24 2HG LYS 24 8.536 5.088 0.182 285 2HG LYS 24 3HG LYS 24 8.738 3.393 -0.220 286 1HD LYS 24 2HD LYS 24 6.790 3.554 -1.779 287 2HD LYS 24 3HD LYS 24 6.692 5.294 -1.408 288 1HE LYS 24 2HE LYS 24 8.950 5.644 -2.296 289 2HE LYS 24 3HE LYS 24 9.108 3.910 -2.646 290 1HZ LYS 24 3HZ LYS 24 7.121 5.720 -3.865 291 2HZ LYS 24 1HZ LYS 24 8.477 5.157 -4.601 292 3HZ LYS 24 2HZ LYS 24 7.282 4.119 -4.189 293 QB LYS 24 QB LYS 24 6.562 4.285 1.221 294 QG LYS 24 QG LYS 24 8.637 4.241 -0.019 295 QD LYS 24 QD LYS 24 6.741 4.424 -1.594 296 QE LYS 24 QE LYS 24 9.029 4.777 -2.471 297 QZ LYS 24 QZ LYS 24 7.627 4.999 -4.218 298 CH2 TRP 25 CH2 TRP 25 11.729 -3.970 5.503 299 H TRP 25 HN TRP 25 8.456 0.522 0.443 300 HA TRP 25 HA TRP 25 10.057 0.275 2.840 301 1HB TRP 25 2HB TRP 25 9.480 -1.494 1.175 302 2HB TRP 25 3HB TRP 25 10.697 -0.829 0.085 303 HD1 TRP 25 HD1 TRP 25 13.147 -1.666 0.492 304 HE1 TRP 25 HE1 TRP 25 14.358 -3.044 2.246 305 HE3 TRP 25 HE3 TRP 25 9.291 -2.331 3.768 306 HZ2 TRP 25 HZ2 TRP 25 13.758 -4.250 4.817 307 HZ3 TRP 25 HZ3 TRP 25 9.652 -3.559 5.890 308 HH2 TRP 25 HH2 TRP 25 11.870 -4.530 6.418 309 QB TRP 25 QB TRP 25 10.089 -1.161 0.630 310 H LYS 26 HN LYS 26 10.431 1.892 -0.278 311 HA LYS 26 HA LYS 26 13.130 2.648 -0.072 312 1HB LYS 26 2HB LYS 26 11.424 2.915 -2.037 313 2HB LYS 26 3HB LYS 26 11.009 4.452 -1.259 314 1HG LYS 26 2HG LYS 26 13.847 4.419 -1.370 315 2HG LYS 26 3HG LYS 26 13.335 3.687 -2.894 316 1HD LYS 26 2HD LYS 26 11.839 5.701 -3.270 317 2HD LYS 26 3HD LYS 26 12.493 6.391 -1.762 318 1HE LYS 26 2HE LYS 26 14.829 6.137 -2.808 319 2HE LYS 26 3HE LYS 26 14.025 5.723 -4.330 320 1HZ LYS 26 2HZ LYS 26 12.979 7.907 -4.268 321 2HZ LYS 26 3HZ LYS 26 13.752 8.265 -2.856 322 3HZ LYS 26 1HZ LYS 26 14.615 8.029 -4.231 323 QB LYS 26 QB LYS 26 11.216 3.683 -1.648 324 QG LYS 26 QG LYS 26 13.591 4.053 -2.132 325 QD LYS 26 QD LYS 26 12.166 6.046 -2.516 326 QE LYS 26 QE LYS 26 14.427 5.930 -3.569 327 QZ LYS 26 QZ LYS 26 13.782 8.067 -3.785 328 H ALA 27 HN ALA 27 10.278 3.888 1.571 329 HA ALA 27 HA ALA 27 11.809 6.108 2.845 330 1HB ALA 27 2HB ALA 27 9.648 6.677 1.787 331 2HB ALA 27 3HB ALA 27 8.834 5.502 2.849 332 3HB ALA 27 1HB ALA 27 9.627 6.925 3.543 333 QB ALA 27 QB ALA 27 9.370 6.368 2.726 334 H LYS 28 HN LYS 28 10.306 2.986 3.419 335 HA LYS 28 HA LYS 28 10.056 1.628 5.115 336 1HB LYS 28 2HB LYS 28 12.474 3.092 6.174 337 2HB LYS 28 3HB LYS 28 11.627 1.934 7.192 338 1HG LYS 28 2HG LYS 28 12.488 0.172 6.176 339 2HG LYS 28 3HG LYS 28 11.989 0.737 4.584 340 1HD LYS 28 2HD LYS 28 13.960 2.155 4.401 341 2HD LYS 28 3HD LYS 28 14.516 1.650 6.017 342 1HE LYS 28 2HE LYS 28 14.812 -0.647 5.298 343 2HE LYS 28 3HE LYS 28 13.944 -0.351 3.779 344 1HZ LYS 28 3HZ LYS 28 16.551 0.824 4.469 345 2HZ LYS 28 1HZ LYS 28 16.300 -0.431 3.438 346 3HZ LYS 28 2HZ LYS 28 15.713 1.059 3.069 347 QB LYS 28 QB LYS 28 12.050 2.513 6.683 348 QG LYS 28 QG LYS 28 12.239 0.454 5.380 349 QD LYS 28 QD LYS 28 14.238 1.903 5.209 350 QE LYS 28 QE LYS 28 14.378 -0.499 4.538 351 QZ LYS 28 QZ LYS 28 16.188 0.484 3.659 352 H GLN 29 HN GLN 29 8.042 3.115 4.859 353 HA GLN 29 HA GLN 29 7.041 3.227 7.544 354 1HB GLN 29 2HB GLN 29 8.172 5.418 7.552 355 2HB GLN 29 3HB GLN 29 7.314 5.891 6.076 356 1HG GLN 29 2HG GLN 29 5.219 5.980 7.256 357 2HG GLN 29 3HG GLN 29 5.885 5.107 8.655 358 1HE2 GLN 29 2HE2 GLN 29 7.157 9.007 8.244 359 2HE2 GLN 29 1HE2 GLN 29 7.209 7.949 6.846 360 QB GLN 29 QB GLN 29 7.743 5.654 6.814 361 QG GLN 29 QG GLN 29 5.552 5.543 7.955 362 QE2 GLN 29 QE2 GLN 29 7.183 8.478 7.545 363 H CYS 30 HN CYS 30 4.727 3.637 7.632 364 HA CYS 30 HA CYS 30 3.237 2.721 5.298 365 1HB CYS 30 2HB CYS 30 2.417 3.672 8.044 366 2HB CYS 30 3HB CYS 30 1.293 3.049 6.830 367 QB CYS 30 QB CYS 30 1.855 3.361 7.437 368 H LEU 31 HN LEU 31 2.084 4.003 3.901 369 HA LEU 31 HA LEU 31 1.889 6.923 4.442 370 1HB LEU 31 2HB LEU 31 2.950 5.633 1.908 371 2HB LEU 31 3HB LEU 31 2.683 7.362 2.136 372 HG LEU 31 HG LEU 31 4.763 5.640 3.554 373 1HD1 LEU 31 3HD1 LEU 31 5.145 6.147 1.116 374 2HD1 LEU 31 1HD1 LEU 31 5.096 7.869 1.495 375 3HD1 LEU 31 2HD1 LEU 31 6.373 6.848 2.185 376 1HD2 LEU 31 2HD2 LEU 31 4.366 8.669 3.673 377 2HD2 LEU 31 3HD2 LEU 31 4.069 7.555 5.019 378 3HD2 LEU 31 1HD2 LEU 31 5.707 7.749 4.392 379 QB LEU 31 QB LEU 31 2.817 6.497 2.022 380 QD1 LEU 31 QD1 LEU 31 5.538 6.955 1.599 381 QD2 LEU 31 QD2 LEU 31 4.714 7.991 4.361 382 QQD LEU 31 QQD LEU 31 5.126 7.473 2.980 383 HA PRO 32 HA PRO 32 -2.127 6.209 2.515 384 1HB PRO 32 2HB PRO 32 -2.837 8.801 1.906 385 2HB PRO 32 3HB PRO 32 -2.867 8.135 3.552 386 1HG PRO 32 2HG PRO 32 -0.742 9.849 2.268 387 2HG PRO 32 3HG PRO 32 -1.413 9.970 3.921 388 1HD PRO 32 2HD PRO 32 0.976 8.747 3.334 389 2HD PRO 32 3HD PRO 32 -0.067 8.218 4.686 390 QB PRO 32 QB PRO 32 -2.852 8.468 2.729 391 QG PRO 32 QG PRO 32 -1.078 9.910 3.094 392 QD PRO 32 QD PRO 32 0.455 8.482 4.010 393 H PHE 33 HN PHE 33 -3.165 6.300 0.399 394 HA PHE 33 HA PHE 33 -2.097 7.823 -1.769 395 1HB PHE 33 2HB PHE 33 -1.299 6.138 -3.202 396 2HB PHE 33 3HB PHE 33 -0.438 5.887 -1.700 397 HD1 PHE 33 2HD PHE 33 -1.875 4.209 0.005 398 HD2 PHE 33 1HD PHE 33 -2.074 4.175 -4.299 399 HE1 PHE 33 2HE PHE 33 -2.303 1.768 0.008 400 HE2 PHE 33 1HE PHE 33 -2.224 1.699 -4.265 401 HZ PHE 33 HZ PHE 33 -2.265 0.504 -2.051 402 QB PHE 33 QB PHE 33 -0.868 6.012 -2.451 403 QR PHE 33 QR PHE 33 -2.119 2.963 -2.138 404 H ASP 34 HN ASP 34 -3.275 6.894 -3.916 405 HA ASP 34 HA ASP 34 -6.035 5.967 -3.247 406 1HB ASP 34 2HB ASP 34 -4.965 7.926 -5.285 407 2HB ASP 34 3HB ASP 34 -6.277 6.845 -5.756 408 QB ASP 34 QB ASP 34 -5.621 7.386 -5.521 409 OH TYR 35 OH TYR 35 -5.487 -3.876 -6.418 410 H TYR 35 HN TYR 35 -6.112 3.818 -3.639 411 HA TYR 35 HA TYR 35 -4.279 2.513 -5.541 412 1HB TYR 35 2HB TYR 35 -4.882 1.371 -3.467 413 2HB TYR 35 3HB TYR 35 -6.590 1.553 -3.835 414 HD1 TYR 35 HD1 TYR 35 -3.695 0.243 -5.904 415 HD2 TYR 35 HD2 TYR 35 -7.203 -0.693 -3.755 416 HE1 TYR 35 HE1 TYR 35 -3.836 -1.896 -7.140 417 HE2 TYR 35 HE2 TYR 35 -7.247 -2.968 -4.781 418 HH TYR 35 HH TYR 35 -6.339 -4.279 -6.650 419 QB TYR 35 QB TYR 35 -5.736 1.462 -3.651 420 QR TYR 35 QR TYR 35 -5.496 -1.329 -5.395 421 H SER 36 HN SER 36 -5.152 1.238 -7.356 422 HA SER 36 HA SER 36 -7.483 2.486 -8.612 423 1HB SER 36 2HB SER 36 -7.000 1.135 -10.503 424 2HB SER 36 3HB SER 36 -5.512 1.947 -9.977 425 HG SER 36 HG SER 36 -4.756 0.020 -9.217 426 QB SER 36 QB SER 36 -6.256 1.541 -10.240 427 H GLY 37 HN GLY 37 -6.585 -0.912 -8.268 428 1HA GLY 37 1HA GLY 37 -8.683 -2.120 -6.815 429 2HA GLY 37 2HA GLY 37 -9.345 -1.731 -8.407 430 QA GLY 37 QA GLY 37 -9.014 -1.925 -7.611 431 H CYS 38 HN CYS 38 -7.170 -1.992 -10.048 432 HA CYS 38 HA CYS 38 -7.028 -4.959 -10.188 433 1HB CYS 38 2HB CYS 38 -6.370 -3.067 -12.413 434 2HB CYS 38 3HB CYS 38 -6.987 -4.705 -12.538 435 QB CYS 38 QB CYS 38 -6.679 -3.886 -12.476 436 H GLY 39 HN GLY 39 -5.000 -5.897 -10.980 437 1HA GLY 39 1HA GLY 39 -2.736 -6.088 -11.234 438 2HA GLY 39 2HA GLY 39 -2.699 -4.354 -11.549 439 QA GLY 39 QA GLY 39 -2.717 -5.221 -11.392 440 H GLY 40 HN GLY 40 -3.951 -4.319 -8.517 441 1HA GLY 40 1HA GLY 40 -1.735 -3.342 -7.196 442 2HA GLY 40 2HA GLY 40 -3.092 -3.969 -6.410 443 QA GLY 40 QA GLY 40 -2.413 -3.656 -6.803 444 H ASN 41 HN ASN 41 -0.788 -4.278 -5.192 445 HA ASN 41 HA ASN 41 0.193 -7.068 -5.654 446 1HB ASN 41 2HB ASN 41 2.168 -6.305 -4.541 447 2HB ASN 41 3HB ASN 41 1.834 -5.268 -5.920 448 1HD2 ASN 41 2HD2 ASN 41 2.687 -2.717 -3.505 449 2HD2 ASN 41 1HD2 ASN 41 3.380 -3.794 -4.693 450 QB ASN 41 QB ASN 41 2.001 -5.786 -5.231 451 QD2 ASN 41 QD2 ASN 41 3.034 -3.255 -4.099 452 H ALA 42 HN ALA 42 1.356 -7.242 -2.941 453 HA ALA 42 HA ALA 42 -1.204 -7.532 -1.362 454 1HB ALA 42 2HB ALA 42 1.500 -8.878 -1.069 455 2HB ALA 42 3HB ALA 42 0.090 -9.143 -0.018 456 3HB ALA 42 1HB ALA 42 0.022 -9.599 -1.729 457 QB ALA 42 QB ALA 42 0.537 -9.207 -0.939 458 H ASN 43 HN ASN 43 0.576 -5.022 -1.752 459 HA ASN 43 HA ASN 43 0.881 -4.365 1.140 460 1HB ASN 43 2HB ASN 43 2.853 -4.255 -0.566 461 2HB ASN 43 3HB ASN 43 2.043 -2.796 -1.197 462 1HD2 ASN 43 2HD2 ASN 43 4.562 -1.508 1.038 463 2HD2 ASN 43 1HD2 ASN 43 4.513 -2.310 -0.474 464 QB ASN 43 QB ASN 43 2.448 -3.526 -0.882 465 QD2 ASN 43 QD2 ASN 43 4.538 -1.909 0.282 466 NH1 ARG 44 NH2 ARG 44 -2.155 -3.896 -2.791 467 NH2 ARG 44 NH1 ARG 44 -3.717 -4.926 -4.145 468 H ARG 44 HN ARG 44 -1.605 -4.340 0.975 469 HA ARG 44 HA ARG 44 -2.328 -1.482 0.578 470 1HB ARG 44 2HB ARG 44 -3.657 -3.677 -0.857 471 2HB ARG 44 3HB ARG 44 -4.717 -3.020 0.330 472 1HG ARG 44 2HG ARG 44 -5.392 -1.591 -1.140 473 2HG ARG 44 3HG ARG 44 -4.000 -0.656 -0.640 474 1HD ARG 44 2HD ARG 44 -4.343 -0.747 -3.025 475 2HD ARG 44 3HD ARG 44 -2.789 -1.364 -2.683 476 HE ARG 44 HE ARG 44 -4.910 -2.783 -3.939 477 1HH1 ARG 44 2HH2 ARG 44 -1.824 -3.112 -2.241 478 2HH1 ARG 44 1HH2 ARG 44 -1.602 -4.744 -2.837 479 1HH2 ARG 44 2HH1 ARG 44 -4.528 -4.888 -4.754 480 2HH2 ARG 44 1HH1 ARG 44 -3.147 -5.773 -4.094 481 QB ARG 44 QB ARG 44 -4.187 -3.349 -0.263 482 QG ARG 44 QG ARG 44 -4.696 -1.124 -0.890 483 QD ARG 44 QD ARG 44 -3.566 -1.056 -2.854 484 QH1 ARG 44 QH2 ARG 44 -1.713 -3.928 -2.539 485 QH2 ARG 44 QH1 ARG 44 -3.838 -5.331 -4.424 486 H PHE 45 HN PHE 45 -3.474 -0.693 2.266 487 HA PHE 45 HA PHE 45 -4.797 -2.444 4.286 488 1HB PHE 45 2HB PHE 45 -2.853 -0.167 4.816 489 2HB PHE 45 3HB PHE 45 -3.764 -1.074 6.013 490 HD1 PHE 45 2HD PHE 45 -3.389 -3.588 6.157 491 HD2 PHE 45 1HD PHE 45 -0.833 -1.078 3.830 492 HE1 PHE 45 2HE PHE 45 -1.646 -5.361 6.205 493 HE2 PHE 45 1HE PHE 45 0.867 -2.890 3.729 494 HZ PHE 45 HZ PHE 45 0.424 -5.050 4.878 495 QB PHE 45 QB PHE 45 -3.308 -0.620 5.414 496 QR PHE 45 QR PHE 45 -1.250 -3.229 4.980 497 H LYS 46 HN LYS 46 -6.629 -1.428 5.217 498 HA LYS 46 HA LYS 46 -7.708 0.788 3.655 499 1HB LYS 46 2HB LYS 46 -9.122 -1.053 4.378 500 2HB LYS 46 3HB LYS 46 -8.620 -0.802 6.079 501 1HG LYS 46 2HG LYS 46 -9.702 1.247 6.231 502 2HG LYS 46 3HG LYS 46 -9.783 1.427 4.465 503 1HD LYS 46 2HD LYS 46 -12.005 1.059 5.344 504 2HD LYS 46 3HD LYS 46 -11.544 -0.280 4.304 505 1HE LYS 46 2HE LYS 46 -11.366 -0.299 7.371 506 2HE LYS 46 3HE LYS 46 -12.763 -0.881 6.457 507 1HZ LYS 46 1HZ LYS 46 -11.311 -2.510 5.408 508 2HZ LYS 46 2HZ LYS 46 -10.052 -2.036 6.350 509 3HZ LYS 46 3HZ LYS 46 -11.378 -2.697 7.038 510 QB LYS 46 QB LYS 46 -8.871 -0.928 5.229 511 QG LYS 46 QG LYS 46 -9.742 1.337 5.348 512 QD LYS 46 QD LYS 46 -11.774 0.390 4.824 513 QE LYS 46 QE LYS 46 -12.064 -0.590 6.914 514 QZ LYS 46 QZ LYS 46 -10.914 -2.414 6.265 515 H THR 47 HN THR 47 -5.838 0.227 6.595 516 HA THR 47 HA THR 47 -6.175 3.096 7.418 517 HB THR 47 HB THR 47 -6.227 2.388 9.703 518 HG1 THR 47 1HG THR 47 -6.260 0.047 10.074 519 1HG2 THR 47 2HG2 THR 47 -8.438 2.336 8.527 520 2HG2 THR 47 3HG2 THR 47 -8.191 0.603 8.198 521 3HG2 THR 47 1HG2 THR 47 -8.322 1.173 9.865 522 QG2 THR 47 QG2 THR 47 -8.317 1.371 8.863 523 H ILE 48 HN ILE 48 -4.447 3.969 8.583 524 HA ILE 48 HA ILE 48 -1.811 3.073 7.868 525 HB ILE 48 HB ILE 48 -2.603 5.464 8.548 526 1HG1 ILE 48 2HG1 ILE 48 -0.369 5.922 9.770 527 2HG1 ILE 48 3HG1 ILE 48 -0.017 4.206 9.533 528 1HG2 ILE 48 3HG2 ILE 48 -3.632 4.714 10.721 529 2HG2 ILE 48 1HG2 ILE 48 -1.989 4.414 11.340 530 3HG2 ILE 48 2HG2 ILE 48 -2.474 6.050 10.877 531 1HD1 ILE 48 2HD1 ILE 48 -0.333 4.555 7.060 532 2HD1 ILE 48 3HD1 ILE 48 -0.652 6.273 7.377 533 3HD1 ILE 48 1HD1 ILE 48 0.936 5.589 7.750 534 QG1 ILE 48 QG1 ILE 48 -0.193 5.064 9.652 535 QG2 ILE 48 QG2 ILE 48 -2.698 5.059 10.979 536 QD1 ILE 48 QD1 ILE 48 -0.016 5.472 7.396 537 H GLU 49 HN GLU 49 -3.984 2.360 10.622 538 HA GLU 49 HA GLU 49 -1.807 1.292 12.193 539 1HB GLU 49 2HB GLU 49 -3.455 0.437 13.730 540 2HB GLU 49 3HB GLU 49 -3.675 2.143 13.364 541 1HG GLU 49 2HG GLU 49 -5.814 1.143 13.573 542 2HG GLU 49 3HG GLU 49 -5.601 1.547 11.873 543 QB GLU 49 QB GLU 49 -3.565 1.290 13.547 544 QG GLU 49 QG GLU 49 -5.707 1.345 12.723 545 H GLU 50 HN GLU 50 -4.132 -0.142 9.902 546 HA GLU 50 HA GLU 50 -3.367 -2.812 10.513 547 1HB GLU 50 2HB GLU 50 -5.470 -1.970 9.391 548 2HB GLU 50 3HB GLU 50 -4.515 -1.658 7.945 549 1HG GLU 50 2HG GLU 50 -4.121 -4.270 8.012 550 2HG GLU 50 3HG GLU 50 -5.350 -4.256 9.256 551 QB GLU 50 QB GLU 50 -4.992 -1.814 8.668 552 QG GLU 50 QG GLU 50 -4.735 -4.263 8.634 553 H CYS 51 HN CYS 51 -2.120 -0.376 8.225 554 HA CYS 51 HA CYS 51 -0.062 -2.089 7.138 555 1HB CYS 51 2HB CYS 51 -0.686 0.017 6.026 556 2HB CYS 51 3HB CYS 51 -0.193 0.945 7.431 557 QB CYS 51 QB CYS 51 -0.439 0.481 6.729 558 NH1 ARG 52 NH2 ARG 52 3.128 5.504 13.791 559 NH2 ARG 52 NH1 ARG 52 3.198 5.961 11.519 560 H ARG 52 HN ARG 52 0.127 0.419 9.715 561 HA ARG 52 HA ARG 52 2.788 -0.036 10.369 562 1HB ARG 52 2HB ARG 52 1.281 1.840 11.064 563 2HB ARG 52 3HB ARG 52 0.610 0.793 12.325 564 1HG ARG 52 2HG ARG 52 2.771 0.605 13.399 565 2HG ARG 52 3HG ARG 52 3.602 1.355 12.025 566 1HD ARG 52 2HD ARG 52 1.568 2.810 13.759 567 2HD ARG 52 3HD ARG 52 3.331 2.825 14.003 568 HE ARG 52 HE ARG 52 2.540 3.543 11.295 569 1HH1 ARG 52 2HH2 ARG 52 2.944 4.854 14.540 570 2HH1 ARG 52 1HH2 ARG 52 3.387 6.451 14.024 571 1HH2 ARG 52 2HH1 ARG 52 3.094 5.672 10.557 572 2HH2 ARG 52 1HH1 ARG 52 3.498 6.910 11.692 573 QB ARG 52 QB ARG 52 0.945 1.316 11.695 574 QG ARG 52 QG ARG 52 3.186 0.980 12.712 575 QD ARG 52 QD ARG 52 2.449 2.817 13.881 576 QH1 ARG 52 QH2 ARG 52 3.166 5.653 14.282 577 QH2 ARG 52 QH1 ARG 52 3.296 6.291 11.125 578 NH1 ARG 53 NH2 ARG 53 -5.382 -5.558 13.238 579 NH2 ARG 53 NH1 ARG 53 -4.345 -7.157 14.567 580 H ARG 53 HN ARG 53 -0.070 -1.775 11.702 581 HA ARG 53 HA ARG 53 1.522 -3.221 13.623 582 1HB ARG 53 2HB ARG 53 -0.455 -4.448 14.106 583 2HB ARG 53 3HB ARG 53 -0.990 -2.801 13.708 584 1HG ARG 53 2HG ARG 53 -1.374 -3.603 11.370 585 2HG ARG 53 3HG ARG 53 -1.090 -5.263 11.891 586 1HD ARG 53 2HD ARG 53 -3.247 -3.413 13.007 587 2HD ARG 53 3HD ARG 53 -3.451 -4.636 11.727 588 HE ARG 53 HE ARG 53 -2.280 -5.762 14.118 589 1HH1 ARG 53 2HH2 ARG 53 -5.323 -4.665 12.760 590 2HH1 ARG 53 1HH2 ARG 53 -6.275 -6.020 13.289 591 1HH2 ARG 53 2HH1 ARG 53 -3.510 -7.530 14.997 592 2HH2 ARG 53 1HH1 ARG 53 -5.216 -7.646 14.705 593 QB ARG 53 QB ARG 53 -0.723 -3.625 13.907 594 QG ARG 53 QG ARG 53 -1.232 -4.433 11.630 595 QD ARG 53 QD ARG 53 -3.349 -4.025 12.367 596 QH1 ARG 53 QH2 ARG 53 -5.799 -5.343 13.024 597 QH2 ARG 53 QH1 ARG 53 -4.363 -7.588 14.851 598 H THR 54 HN THR 54 0.822 -3.761 10.185 599 HA THR 54 HA THR 54 1.624 -6.559 10.241 600 HB THR 54 HB THR 54 1.120 -4.533 8.041 601 HG1 THR 54 1HG THR 54 -0.030 -7.001 8.837 602 1HG2 THR 54 3HG2 THR 54 2.212 -7.362 7.724 603 2HG2 THR 54 1HG2 THR 54 1.445 -6.402 6.449 604 3HG2 THR 54 2HG2 THR 54 2.963 -5.850 7.152 605 QG2 THR 54 QG2 THR 54 2.207 -6.538 7.108 606 H CYS 55 HN CYS 55 3.239 -3.481 9.225 607 HA CYS 55 HA CYS 55 5.669 -5.104 8.782 608 1HB CYS 55 2HB CYS 55 4.734 -3.228 7.267 609 2HB CYS 55 3HB CYS 55 5.723 -2.198 8.312 610 QB CYS 55 QB CYS 55 5.228 -2.713 7.789 611 H VAL 56 HN VAL 56 4.609 -2.566 10.969 612 HA VAL 56 HA VAL 56 7.118 -2.587 12.548 613 HB VAL 56 HB VAL 56 4.762 -0.632 12.646 614 1HG1 VAL 56 2HG1 VAL 56 7.612 -0.388 13.681 615 2HG1 VAL 56 3HG1 VAL 56 6.457 0.954 13.572 616 3HG1 VAL 56 1HG1 VAL 56 6.110 -0.382 14.644 617 1HG2 VAL 56 3HG2 VAL 56 7.282 -0.390 10.982 618 2HG2 VAL 56 1HG2 VAL 56 5.596 -0.453 10.406 619 3HG2 VAL 56 2HG2 VAL 56 6.153 0.939 11.319 620 QG1 VAL 56 QG1 VAL 56 6.726 0.061 13.966 621 QG2 VAL 56 QG2 VAL 56 6.344 0.032 10.903 622 QQG VAL 56 QQG VAL 56 6.535 0.047 12.434 623 H GLY 57 HN GLY 57 6.394 -2.302 15.044 624 1HA GLY 57 1HA GLY 57 5.143 -2.957 16.869 625 2HA GLY 57 2HA GLY 57 3.840 -3.500 15.801 626 QA GLY 57 QA GLY 57 4.491 -3.229 16.335 Start of MODEL 14 Raw file had 626 H/Q atoms Start of MODEL 14 1 H ALA 1 HN ALA 1 6.731 -6.483 11.207 2 HA ALA 1 HA ALA 1 6.905 -6.486 8.731 3 1HB ALA 1 2HB ALA 1 8.851 -6.218 9.944 4 2HB ALA 1 3HB ALA 1 9.101 -7.997 9.945 5 3HB ALA 1 1HB ALA 1 9.036 -7.074 8.405 6 QB ALA 1 QB ALA 1 8.996 -7.096 9.431 7 H ALA 2 HN ALA 2 7.104 -7.460 6.812 8 HA ALA 2 HA ALA 2 6.451 -10.302 6.470 9 1HB ALA 2 1HB ALA 2 4.255 -9.168 6.769 10 2HB ALA 2 2HB ALA 2 4.689 -8.018 5.482 11 3HB ALA 2 3HB ALA 2 4.488 -9.745 5.104 12 QB ALA 2 QB ALA 2 4.477 -8.977 5.785 13 H LYS 3 HN LYS 3 6.603 -10.870 4.186 14 HA LYS 3 HA LYS 3 8.950 -9.720 3.036 15 1HB LYS 3 2HB LYS 3 7.777 -12.135 2.902 16 2HB LYS 3 3HB LYS 3 7.072 -11.507 1.434 17 1HG LYS 3 2HG LYS 3 10.077 -11.403 1.953 18 2HG LYS 3 3HG LYS 3 9.271 -12.843 1.314 19 1HD LYS 3 2HD LYS 3 8.432 -11.614 -0.632 20 2HD LYS 3 3HD LYS 3 9.041 -10.089 0.006 21 1HE LYS 3 2HE LYS 3 10.483 -10.897 -1.772 22 2HE LYS 3 3HE LYS 3 11.358 -10.792 -0.244 23 1HZ LYS 3 2HZ LYS 3 10.272 -13.275 -1.421 24 2HZ LYS 3 3HZ LYS 3 11.842 -12.803 -1.463 25 3HZ LYS 3 1HZ LYS 3 11.144 -13.178 -0.028 26 QB LYS 3 QB LYS 3 7.425 -11.821 2.168 27 QG LYS 3 QG LYS 3 9.674 -12.123 1.634 28 QD LYS 3 QD LYS 3 8.736 -10.851 -0.313 29 QE LYS 3 QE LYS 3 10.920 -10.844 -1.008 30 QZ LYS 3 QZ LYS 3 11.086 -13.085 -0.971 31 OH TYR 4 OH TYR 4 0.322 -9.091 4.789 32 H TYR 4 HN TYR 4 5.539 -9.766 2.023 33 HA TYR 4 HA TYR 4 5.905 -8.242 -0.320 34 1HB TYR 4 2HB TYR 4 3.498 -7.860 -0.200 35 2HB TYR 4 3HB TYR 4 3.973 -9.552 -0.032 36 HD1 TYR 4 HD2 TYR 4 2.611 -6.587 1.756 37 HD2 TYR 4 HD1 TYR 4 3.376 -10.827 1.920 38 HE1 TYR 4 HE2 TYR 4 0.932 -6.823 3.549 39 HE2 TYR 4 HE1 TYR 4 1.789 -11.036 3.809 40 HH TYR 4 HH TYR 4 -0.233 -8.316 4.901 41 QB TYR 4 QB TYR 4 3.735 -8.706 -0.116 42 QR TYR 4 QR TYR 4 2.177 -8.818 2.758 43 H CYS 5 HN CYS 5 5.906 -7.172 2.937 44 HA CYS 5 HA CYS 5 5.037 -4.488 2.784 45 1HB CYS 5 2HB CYS 5 5.772 -5.690 4.832 46 2HB CYS 5 3HB CYS 5 7.449 -5.535 4.322 47 QB CYS 5 QB CYS 5 6.610 -5.613 4.577 48 H LYS 6 HN LYS 6 7.871 -6.010 1.471 49 HA LYS 6 HA LYS 6 9.358 -3.565 0.998 50 1HB LYS 6 2HB LYS 6 9.842 -6.308 -0.186 51 2HB LYS 6 3HB LYS 6 10.970 -4.934 -0.119 52 1HG LYS 6 2HG LYS 6 10.685 -4.963 2.406 53 2HG LYS 6 3HG LYS 6 9.812 -6.492 2.216 54 1HD LYS 6 2HD LYS 6 12.011 -7.112 0.816 55 2HD LYS 6 3HD LYS 6 12.721 -5.853 1.843 56 1HE LYS 6 2HE LYS 6 11.291 -8.427 2.704 57 2HE LYS 6 3HE LYS 6 13.009 -8.063 2.909 58 1HZ LYS 6 1HZ LYS 6 10.787 -6.652 4.240 59 2HZ LYS 6 2HZ LYS 6 11.777 -7.757 4.940 60 3HZ LYS 6 3HZ LYS 6 12.383 -6.313 4.437 61 QB LYS 6 QB LYS 6 10.406 -5.621 -0.153 62 QG LYS 6 QG LYS 6 10.249 -5.727 2.311 63 QD LYS 6 QD LYS 6 12.366 -6.482 1.329 64 QE LYS 6 QE LYS 6 12.150 -8.245 2.806 65 QZ LYS 6 QZ LYS 6 11.649 -6.907 4.539 66 H LEU 7 HN LEU 7 6.700 -4.961 -0.774 67 HA LEU 7 HA LEU 7 7.621 -4.324 -3.412 68 1HB LEU 7 2HB LEU 7 4.839 -4.589 -2.241 69 2HB LEU 7 3HB LEU 7 5.182 -4.476 -3.964 70 HG LEU 7 HG LEU 7 6.541 -6.654 -2.369 71 1HD1 LEU 7 2HD1 LEU 7 3.947 -6.628 -1.992 72 2HD1 LEU 7 3HD1 LEU 7 3.883 -7.172 -3.677 73 3HD1 LEU 7 1HD1 LEU 7 4.753 -8.134 -2.489 74 1HD2 LEU 7 2HD2 LEU 7 5.494 -6.449 -5.235 75 2HD2 LEU 7 3HD2 LEU 7 7.192 -6.276 -4.745 76 3HD2 LEU 7 1HD2 LEU 7 6.358 -7.834 -4.549 77 QB LEU 7 QB LEU 7 5.011 -4.533 -3.103 78 QD1 LEU 7 QD1 LEU 7 4.194 -7.311 -2.720 79 QD2 LEU 7 QD2 LEU 7 6.348 -6.853 -4.843 80 QQD LEU 7 QQD LEU 7 5.271 -7.082 -3.781 81 HA PRO 8 HA PRO 8 7.254 0.043 -3.089 82 1HB PRO 8 2HB PRO 8 7.300 0.885 -5.679 83 2HB PRO 8 3HB PRO 8 8.641 -0.063 -4.978 84 1HG PRO 8 2HG PRO 8 6.291 -1.118 -6.585 85 2HG PRO 8 3HG PRO 8 8.031 -1.377 -6.914 86 1HD PRO 8 2HD PRO 8 6.553 -3.191 -5.508 87 2HD PRO 8 3HD PRO 8 8.254 -2.837 -5.063 88 QB PRO 8 QB PRO 8 7.971 0.411 -5.328 89 QG PRO 8 QG PRO 8 7.161 -1.248 -6.749 90 QD PRO 8 QD PRO 8 7.404 -3.014 -5.286 91 H LEU 9 HN LEU 9 6.023 1.998 -4.195 92 HA LEU 9 HA LEU 9 3.247 1.914 -3.684 93 1HB LEU 9 2HB LEU 9 4.534 4.012 -3.810 94 2HB LEU 9 3HB LEU 9 4.870 3.734 -5.515 95 HG LEU 9 HG LEU 9 2.550 4.041 -6.122 96 1HD1 LEU 9 2HD1 LEU 9 1.984 4.220 -3.132 97 2HD1 LEU 9 3HD1 LEU 9 0.867 4.778 -4.374 98 3HD1 LEU 9 1HD1 LEU 9 1.284 3.072 -4.276 99 1HD2 LEU 9 3HD2 LEU 9 3.983 6.054 -5.789 100 2HD2 LEU 9 1HD2 LEU 9 2.263 6.379 -5.521 101 3HD2 LEU 9 2HD2 LEU 9 3.355 6.201 -4.133 102 QB LEU 9 QB LEU 9 4.702 3.873 -4.663 103 QD1 LEU 9 QD1 LEU 9 1.378 4.023 -3.928 104 QD2 LEU 9 QD2 LEU 9 3.200 6.211 -5.147 105 QQD LEU 9 QQD LEU 9 2.289 5.117 -4.538 106 NH1 ARG 10 NH2 ARG 10 2.536 -1.246 -10.875 107 NH2 ARG 10 NH1 ARG 10 0.715 -2.387 -11.749 108 H ARG 10 HN ARG 10 1.618 1.108 -4.834 109 HA ARG 10 HA ARG 10 2.051 0.162 -7.626 110 1HB ARG 10 2HB ARG 10 2.724 -1.507 -5.901 111 2HB ARG 10 3HB ARG 10 1.101 -1.402 -5.192 112 1HG ARG 10 2HG ARG 10 1.088 -3.341 -6.573 113 2HG ARG 10 3HG ARG 10 0.200 -2.089 -7.420 114 1HD ARG 10 2HD ARG 10 2.835 -1.823 -8.352 115 2HD ARG 10 3HD ARG 10 2.602 -3.555 -8.209 116 HE ARG 10 HE ARG 10 0.394 -3.223 -9.478 117 1HH1 ARG 10 2HH2 ARG 10 3.131 -1.021 -10.093 118 2HH1 ARG 10 1HH2 ARG 10 2.737 -0.812 -11.763 119 1HH2 ARG 10 2HH1 ARG 10 -0.070 -3.008 -11.580 120 2HH2 ARG 10 1HH1 ARG 10 0.878 -2.017 -12.675 121 QB ARG 10 QB ARG 10 1.912 -1.455 -5.546 122 QG ARG 10 QG ARG 10 0.644 -2.715 -6.997 123 QD ARG 10 QD ARG 10 2.719 -2.689 -8.280 124 QH1 ARG 10 QH2 ARG 10 2.934 -0.916 -10.928 125 QH2 ARG 10 QH1 ARG 10 0.404 -2.513 -12.128 126 H ILE 11 HN ILE 11 0.774 2.118 -7.935 127 HA ILE 11 HA ILE 11 -1.879 2.378 -6.943 128 HB ILE 11 HB ILE 11 -0.636 3.561 -9.429 129 1HG1 ILE 11 2HG1 ILE 11 0.133 3.898 -6.720 130 2HG1 ILE 11 3HG1 ILE 11 0.585 4.891 -8.083 131 1HG2 ILE 11 3HG2 ILE 11 -3.139 4.303 -7.847 132 2HG2 ILE 11 1HG2 ILE 11 -2.396 5.339 -9.084 133 3HG2 ILE 11 2HG2 ILE 11 -3.052 3.763 -9.521 134 1HD1 ILE 11 1HD1 ILE 11 -1.876 5.351 -6.395 135 2HD1 ILE 11 2HD1 ILE 11 -0.311 6.094 -6.071 136 3HD1 ILE 11 3HD1 ILE 11 -1.181 6.483 -7.564 137 QG1 ILE 11 QG1 ILE 11 0.359 4.395 -7.401 138 QG2 ILE 11 QG2 ILE 11 -2.862 4.468 -8.817 139 QD1 ILE 11 QD1 ILE 11 -1.123 5.976 -6.676 140 H GLY 12 HN GLY 12 -0.586 0.819 -9.846 141 1HA GLY 12 1HA GLY 12 -1.431 -1.075 -10.824 142 2HA GLY 12 2HA GLY 12 -2.979 -0.909 -10.006 143 QA GLY 12 QA GLY 12 -2.205 -0.992 -10.415 144 HA PRO 13 HA PRO 13 -2.653 1.007 -14.382 145 1HB PRO 13 2HB PRO 13 -3.221 -0.952 -16.173 146 2HB PRO 13 3HB PRO 13 -1.647 -0.863 -15.339 147 1HG PRO 13 2HG PRO 13 -4.038 -2.565 -14.561 148 2HG PRO 13 3HG PRO 13 -2.346 -3.098 -14.798 149 1HD PRO 13 2HD PRO 13 -3.353 -2.447 -12.331 150 2HD PRO 13 3HD PRO 13 -1.658 -2.118 -12.793 151 QB PRO 13 QB PRO 13 -2.434 -0.907 -15.756 152 QG PRO 13 QG PRO 13 -3.192 -2.832 -14.679 153 QD PRO 13 QD PRO 13 -2.506 -2.283 -12.562 154 H CYS 14 HN CYS 14 -5.165 0.221 -12.461 155 HA CYS 14 HA CYS 14 -7.314 -0.038 -14.393 156 1HB CYS 14 2HB CYS 14 -6.955 -0.453 -11.588 157 2HB CYS 14 3HB CYS 14 -8.295 0.673 -11.772 158 QB CYS 14 QB CYS 14 -7.625 0.110 -11.680 159 H LYS 15 HN LYS 15 -9.310 1.656 -13.426 160 HA LYS 15 HA LYS 15 -8.322 4.425 -13.716 161 1HB LYS 15 2HB LYS 15 -10.385 3.118 -15.537 162 2HB LYS 15 3HB LYS 15 -10.141 4.864 -15.418 163 1HG LYS 15 2HG LYS 15 -7.944 2.920 -16.242 164 2HG LYS 15 3HG LYS 15 -9.019 3.716 -17.376 165 1HD LYS 15 2HD LYS 15 -8.161 5.815 -17.076 166 2HD LYS 15 3HD LYS 15 -7.565 5.533 -15.448 167 1HE LYS 15 2HE LYS 15 -6.356 4.126 -17.868 168 2HE LYS 15 3HE LYS 15 -5.820 5.727 -17.343 169 1HZ LYS 15 3HZ LYS 15 -5.797 3.389 -15.526 170 2HZ LYS 15 1HZ LYS 15 -4.500 3.884 -16.418 171 3HZ LYS 15 2HZ LYS 15 -5.158 4.859 -15.270 172 QB LYS 15 QB LYS 15 -10.263 3.991 -15.478 173 QG LYS 15 QG LYS 15 -8.482 3.318 -16.809 174 QD LYS 15 QD LYS 15 -7.863 5.674 -16.262 175 QE LYS 15 QE LYS 15 -6.088 4.927 -17.605 176 QZ LYS 15 QZ LYS 15 -5.152 4.044 -15.738 177 NH1 ARG 16 NH2 ARG 16 -15.418 1.812 -11.183 178 NH2 ARG 16 NH1 ARG 16 -16.753 1.975 -9.291 179 H ARG 16 HN ARG 16 -8.748 3.795 -11.441 180 HA ARG 16 HA ARG 16 -11.233 5.081 -10.620 181 1HB ARG 16 2HB ARG 16 -10.455 2.231 -9.958 182 2HB ARG 16 3HB ARG 16 -11.137 3.226 -8.661 183 1HG ARG 16 2HG ARG 16 -13.087 3.725 -10.024 184 2HG ARG 16 3HG ARG 16 -12.476 2.699 -11.334 185 1HD ARG 16 2HD ARG 16 -13.015 0.729 -10.228 186 2HD ARG 16 3HD ARG 16 -12.466 1.352 -8.688 187 HE ARG 16 HE ARG 16 -14.552 1.869 -8.077 188 1HH1 ARG 16 2HH2 ARG 16 -14.492 1.761 -11.580 189 2HH1 ARG 16 1HH2 ARG 16 -16.214 1.849 -11.801 190 1HH2 ARG 16 2HH1 ARG 16 -16.853 2.012 -8.287 191 2HH2 ARG 16 1HH1 ARG 16 -17.590 2.018 -9.854 192 QB ARG 16 QB ARG 16 -10.796 2.728 -9.310 193 QG ARG 16 QG ARG 16 -12.781 3.212 -10.679 194 QD ARG 16 QD ARG 16 -12.741 1.041 -9.458 195 QH1 ARG 16 QH2 ARG 16 -15.353 1.805 -11.690 196 QH2 ARG 16 QH1 ARG 16 -17.221 2.015 -9.071 197 H LYS 17 HN LYS 17 -10.923 5.336 -8.057 198 HA LYS 17 HA LYS 17 -8.147 5.668 -7.183 199 1HB LYS 17 2HB LYS 17 -8.656 8.069 -6.569 200 2HB LYS 17 3HB LYS 17 -8.189 7.728 -8.231 201 1HG LYS 17 2HG LYS 17 -10.460 7.891 -9.034 202 2HG LYS 17 3HG LYS 17 -11.113 8.065 -7.413 203 1HD LYS 17 2HD LYS 17 -9.244 9.988 -8.887 204 2HD LYS 17 3HD LYS 17 -10.964 10.233 -8.597 205 1HE LYS 17 2HE LYS 17 -8.658 10.324 -6.600 206 2HE LYS 17 3HE LYS 17 -9.838 11.579 -6.985 207 1HZ LYS 17 3HZ LYS 17 -11.515 10.181 -5.916 208 2HZ LYS 17 1HZ LYS 17 -10.366 9.049 -5.546 209 3HZ LYS 17 2HZ LYS 17 -10.278 10.539 -4.882 210 QB LYS 17 QB LYS 17 -8.423 7.898 -7.400 211 QG LYS 17 QG LYS 17 -10.787 7.978 -8.223 212 QD LYS 17 QD LYS 17 -10.104 10.110 -8.742 213 QE LYS 17 QE LYS 17 -9.248 10.952 -6.792 214 QZ LYS 17 QZ LYS 17 -10.720 9.923 -5.448 215 H ILE 18 HN ILE 18 -8.514 4.339 -5.500 216 HA ILE 18 HA ILE 18 -10.760 4.842 -3.625 217 HB ILE 18 HB ILE 18 -9.245 2.266 -4.212 218 1HG1 ILE 18 2HG1 ILE 18 -12.131 2.994 -4.885 219 2HG1 ILE 18 3HG1 ILE 18 -10.801 2.958 -6.055 220 1HG2 ILE 18 2HG2 ILE 18 -10.064 2.528 -1.827 221 2HG2 ILE 18 3HG2 ILE 18 -11.705 2.721 -2.463 222 3HG2 ILE 18 1HG2 ILE 18 -10.820 1.196 -2.685 223 1HD1 ILE 18 1HD1 ILE 18 -10.431 0.517 -5.433 224 2HD1 ILE 18 2HD1 ILE 18 -12.005 0.597 -4.602 225 3HD1 ILE 18 3HD1 ILE 18 -11.900 0.916 -6.340 226 QG1 ILE 18 QG1 ILE 18 -11.466 2.976 -5.470 227 QG2 ILE 18 QG2 ILE 18 -10.863 2.148 -2.325 228 QD1 ILE 18 QD1 ILE 18 -11.445 0.677 -5.459 229 HA PRO 19 HA PRO 19 -7.097 6.043 -1.242 230 1HB PRO 19 2HB PRO 19 -8.211 6.334 1.267 231 2HB PRO 19 3HB PRO 19 -8.281 7.542 -0.049 232 1HG PRO 19 2HG PRO 19 -10.371 5.489 0.685 233 2HG PRO 19 3HG PRO 19 -10.613 7.228 0.343 234 1HD PRO 19 2HD PRO 19 -11.074 5.333 -1.525 235 2HD PRO 19 3HD PRO 19 -10.294 6.876 -2.010 236 QB PRO 19 QB PRO 19 -8.246 6.938 0.609 237 QG PRO 19 QG PRO 19 -10.492 6.359 0.514 238 QD PRO 19 QD PRO 19 -10.684 6.105 -1.767 239 H SER 20 HN SER 20 -5.543 4.877 -0.069 240 HA SER 20 HA SER 20 -6.264 2.663 1.666 241 1HB SER 20 2HB SER 20 -4.422 2.085 -0.708 242 2HB SER 20 3HB SER 20 -4.918 0.971 0.563 243 HG SER 20 HG SER 20 -6.984 2.138 -0.872 244 QB SER 20 QB SER 20 -4.670 1.528 -0.072 245 H PHE 21 HN PHE 21 -3.965 1.739 2.434 246 HA PHE 21 HA PHE 21 -1.913 3.863 2.422 247 1HB PHE 21 2HB PHE 21 -2.625 1.980 4.716 248 2HB PHE 21 3HB PHE 21 -1.244 3.065 4.686 249 HD1 PHE 21 2HD PHE 21 -4.992 2.981 4.644 250 HD2 PHE 21 1HD PHE 21 -1.470 5.346 5.396 251 HE1 PHE 21 2HE PHE 21 -6.397 4.756 5.637 252 HE2 PHE 21 1HE PHE 21 -2.879 7.123 6.398 253 HZ PHE 21 HZ PHE 21 -5.343 6.829 6.530 254 QB PHE 21 QB PHE 21 -1.934 2.522 4.701 255 QR PHE 21 QR PHE 21 -3.934 5.052 5.519 256 OH TYR 22 OH TYR 22 4.507 5.455 -1.597 257 H TYR 22 HN TYR 22 0.276 3.014 2.319 258 HA TYR 22 HA TYR 22 0.589 0.105 2.020 259 1HB TYR 22 2HB TYR 22 1.856 0.244 0.109 260 2HB TYR 22 3HB TYR 22 0.394 1.090 -0.326 261 HD1 TYR 22 HD2 TYR 22 0.726 3.847 0.328 262 HD2 TYR 22 HD1 TYR 22 3.787 1.028 -0.828 263 HE1 TYR 22 HE2 TYR 22 2.117 5.697 -0.480 264 HE2 TYR 22 HE1 TYR 22 5.173 2.892 -1.665 265 HH TYR 22 HH TYR 22 4.002 6.272 -1.560 266 QB TYR 22 QB TYR 22 1.125 0.667 -0.108 267 QR TYR 22 QR TYR 22 2.951 3.366 -0.661 268 OH TYR 23 OH TYR 23 9.217 0.128 7.566 269 H TYR 23 HN TYR 23 2.997 -0.365 2.090 270 HA TYR 23 HA TYR 23 4.328 1.520 3.990 271 1HB TYR 23 2HB TYR 23 3.959 -0.867 4.638 272 2HB TYR 23 3HB TYR 23 5.055 -1.338 3.352 273 HD1 TYR 23 HD1 TYR 23 7.458 -0.674 3.447 274 HD2 TYR 23 HD2 TYR 23 4.774 -0.011 6.729 275 HE1 TYR 23 HE1 TYR 23 9.374 -0.507 4.999 276 HE2 TYR 23 HE2 TYR 23 6.694 0.413 8.230 277 HH TYR 23 HH TYR 23 10.070 0.002 7.149 278 QB TYR 23 QB TYR 23 4.507 -1.102 3.995 279 QR TYR 23 QR TYR 23 7.075 -0.195 5.851 280 H LYS 24 HN LYS 24 5.518 3.027 2.895 281 HA LYS 24 HA LYS 24 6.558 2.434 0.209 282 1HB LYS 24 2HB LYS 24 5.676 4.632 0.893 283 2HB LYS 24 3HB LYS 24 6.996 4.827 2.048 284 1HG LYS 24 2HG LYS 24 8.622 4.701 0.129 285 2HG LYS 24 3HG LYS 24 7.237 4.538 -0.979 286 1HD LYS 24 2HD LYS 24 6.395 6.781 -0.133 287 2HD LYS 24 3HD LYS 24 7.822 6.884 0.898 288 1HE LYS 24 2HE LYS 24 8.273 8.230 -1.003 289 2HE LYS 24 3HE LYS 24 9.258 6.774 -1.189 290 1HZ LYS 24 1HZ LYS 24 6.648 7.275 -2.492 291 2HZ LYS 24 2HZ LYS 24 8.112 7.417 -3.224 292 3HZ LYS 24 3HZ LYS 24 7.575 5.943 -2.720 293 QB LYS 24 QB LYS 24 6.336 4.730 1.470 294 QG LYS 24 QG LYS 24 7.929 4.620 -0.425 295 QD LYS 24 QD LYS 24 7.108 6.832 0.382 296 QE LYS 24 QE LYS 24 8.766 7.502 -1.096 297 QZ LYS 24 QZ LYS 24 7.445 6.878 -2.812 298 CH2 TRP 25 CH2 TRP 25 11.961 -3.881 5.220 299 H TRP 25 HN TRP 25 7.953 0.609 0.620 300 HA TRP 25 HA TRP 25 9.774 0.452 2.725 301 1HB TRP 25 2HB TRP 25 9.082 -1.405 1.267 302 2HB TRP 25 3HB TRP 25 10.130 -0.801 -0.016 303 HD1 TRP 25 HD1 TRP 25 12.686 -1.343 0.169 304 HE1 TRP 25 HE1 TRP 25 14.192 -2.607 1.770 305 HE3 TRP 25 HE3 TRP 25 9.208 -2.663 3.618 306 HZ2 TRP 25 HZ2 TRP 25 13.955 -3.881 4.383 307 HZ3 TRP 25 HZ3 TRP 25 9.850 -3.852 5.696 308 HH2 TRP 25 HH2 TRP 25 12.244 -4.379 6.136 309 QB TRP 25 QB TRP 25 9.606 -1.103 0.626 310 H LYS 26 HN LYS 26 10.202 2.038 -0.409 311 HA LYS 26 HA LYS 26 12.999 2.529 -0.059 312 1HB LYS 26 2HB LYS 26 11.646 2.468 -2.182 313 2HB LYS 26 3HB LYS 26 11.097 4.110 -1.827 314 1HG LYS 26 2HG LYS 26 13.413 4.953 -1.981 315 2HG LYS 26 3HG LYS 26 14.047 3.313 -1.897 316 1HD LYS 26 2HD LYS 26 14.324 3.695 -4.139 317 2HD LYS 26 3HD LYS 26 12.800 2.834 -4.101 318 1HE LYS 26 2HE LYS 26 12.389 4.577 -5.603 319 2HE LYS 26 3HE LYS 26 11.657 5.180 -4.110 320 1HZ LYS 26 1HZ LYS 26 14.343 5.880 -5.139 321 2HZ LYS 26 2HZ LYS 26 13.014 6.832 -5.245 322 3HZ LYS 26 3HZ LYS 26 13.666 6.497 -3.772 323 QB LYS 26 QB LYS 26 11.371 3.289 -2.005 324 QG LYS 26 QG LYS 26 13.730 4.133 -1.939 325 QD LYS 26 QD LYS 26 13.562 3.265 -4.120 326 QE LYS 26 QE LYS 26 12.023 4.879 -4.857 327 QZ LYS 26 QZ LYS 26 13.674 6.403 -4.719 328 H ALA 27 HN ALA 27 10.414 3.825 1.669 329 HA ALA 27 HA ALA 27 12.151 6.018 2.727 330 1HB ALA 27 2HB ALA 27 10.006 6.874 1.863 331 2HB ALA 27 3HB ALA 27 9.126 5.717 2.898 332 3HB ALA 27 1HB ALA 27 10.100 7.002 3.632 333 QB ALA 27 QB ALA 27 9.744 6.531 2.798 334 H LYS 28 HN LYS 28 10.375 3.066 3.337 335 HA LYS 28 HA LYS 28 10.096 1.681 5.008 336 1HB LYS 28 2HB LYS 28 12.445 3.100 6.300 337 2HB LYS 28 3HB LYS 28 11.587 1.752 7.048 338 1HG LYS 28 2HG LYS 28 12.084 0.287 5.162 339 2HG LYS 28 3HG LYS 28 12.897 1.616 4.312 340 1HD LYS 28 2HD LYS 28 14.638 1.769 5.877 341 2HD LYS 28 3HD LYS 28 13.778 0.805 7.092 342 1HE LYS 28 2HE LYS 28 14.018 -1.230 5.808 343 2HE LYS 28 3HE LYS 28 14.674 -0.356 4.413 344 1HZ LYS 28 3HZ LYS 28 15.981 -0.555 7.051 345 2HZ LYS 28 1HZ LYS 28 16.390 -1.432 5.722 346 3HZ LYS 28 2HZ LYS 28 16.593 0.198 5.721 347 QB LYS 28 QB LYS 28 12.016 2.426 6.674 348 QG LYS 28 QG LYS 28 12.491 0.952 4.737 349 QD LYS 28 QD LYS 28 14.208 1.287 6.485 350 QE LYS 28 QE LYS 28 14.346 -0.793 5.110 351 QZ LYS 28 QZ LYS 28 16.322 -0.596 6.165 352 H GLN 29 HN GLN 29 8.071 3.236 4.811 353 HA GLN 29 HA GLN 29 7.187 3.467 7.546 354 1HB GLN 29 2HB GLN 29 8.398 5.643 7.181 355 2HB GLN 29 3HB GLN 29 7.270 6.026 5.874 356 1HG GLN 29 2HG GLN 29 5.450 6.253 7.414 357 2HG GLN 29 3HG GLN 29 6.309 5.351 8.680 358 1HE2 GLN 29 2HE2 GLN 29 7.665 9.192 8.022 359 2HE2 GLN 29 1HE2 GLN 29 7.218 8.211 6.635 360 QB GLN 29 QB GLN 29 7.834 5.835 6.528 361 QG GLN 29 QG GLN 29 5.880 5.802 8.047 362 QE2 GLN 29 QE2 GLN 29 7.442 8.701 7.328 363 H CYS 30 HN CYS 30 4.874 3.724 7.727 364 HA CYS 30 HA CYS 30 3.311 2.760 5.430 365 1HB CYS 30 2HB CYS 30 2.543 3.588 8.233 366 2HB CYS 30 3HB CYS 30 1.424 2.953 7.033 367 QB CYS 30 QB CYS 30 1.984 3.270 7.633 368 H LEU 31 HN LEU 31 2.057 4.072 4.121 369 HA LEU 31 HA LEU 31 1.603 6.917 4.866 370 1HB LEU 31 2HB LEU 31 2.677 5.943 2.196 371 2HB LEU 31 3HB LEU 31 2.348 7.616 2.629 372 HG LEU 31 HG LEU 31 4.553 5.867 3.797 373 1HD1 LEU 31 2HD1 LEU 31 4.757 6.564 1.398 374 2HD1 LEU 31 3HD1 LEU 31 4.670 8.257 1.902 375 3HD1 LEU 31 1HD1 LEU 31 6.027 7.244 2.450 376 1HD2 LEU 31 1HD2 LEU 31 3.806 7.667 5.417 377 2HD2 LEU 31 2HD2 LEU 31 5.433 7.930 4.782 378 3HD2 LEU 31 3HD2 LEU 31 4.061 8.865 4.145 379 QB LEU 31 QB LEU 31 2.513 6.779 2.412 380 QD1 LEU 31 QD1 LEU 31 5.152 7.355 1.917 381 QD2 LEU 31 QD2 LEU 31 4.433 8.154 4.781 382 QQD LEU 31 QQD LEU 31 4.793 7.755 3.349 383 HA PRO 32 HA PRO 32 -2.289 6.025 2.705 384 1HB PRO 32 2HB PRO 32 -3.174 8.540 2.155 385 2HB PRO 32 3HB PRO 32 -3.134 7.879 3.809 386 1HG PRO 32 2HG PRO 32 -1.091 9.674 2.473 387 2HG PRO 32 3HG PRO 32 -1.822 9.865 4.093 388 1HD PRO 32 2HD PRO 32 0.624 8.725 3.707 389 2HD PRO 32 3HD PRO 32 -0.474 8.147 4.992 390 QB PRO 32 QB PRO 32 -3.154 8.209 2.982 391 QG PRO 32 QG PRO 32 -1.456 9.769 3.283 392 QD PRO 32 QD PRO 32 0.075 8.436 4.349 393 H PHE 33 HN PHE 33 -3.232 6.181 0.507 394 HA PHE 33 HA PHE 33 -2.211 7.926 -1.468 395 1HB PHE 33 2HB PHE 33 -1.129 6.526 -2.974 396 2HB PHE 33 3HB PHE 33 -0.376 6.126 -1.455 397 HD1 PHE 33 2HD PHE 33 -1.613 4.030 -0.143 398 HD2 PHE 33 1HD PHE 33 -1.833 4.811 -4.357 399 HE1 PHE 33 2HE PHE 33 -1.772 1.590 -0.603 400 HE2 PHE 33 1HE PHE 33 -1.846 2.375 -4.816 401 HZ PHE 33 HZ PHE 33 -1.701 0.762 -2.947 402 QB PHE 33 QB PHE 33 -0.752 6.326 -2.215 403 QR PHE 33 QR PHE 33 -1.766 3.202 -2.480 404 H ASP 34 HN ASP 34 -3.266 6.917 -3.818 405 HA ASP 34 HA ASP 34 -6.021 5.975 -3.153 406 1HB ASP 34 2HB ASP 34 -5.103 8.209 -4.934 407 2HB ASP 34 3HB ASP 34 -6.108 6.998 -5.714 408 QB ASP 34 QB ASP 34 -5.605 7.604 -5.324 409 OH TYR 35 OH TYR 35 -5.241 -3.085 -7.574 410 H TYR 35 HN TYR 35 -5.975 3.887 -3.600 411 HA TYR 35 HA TYR 35 -4.140 2.714 -5.570 412 1HB TYR 35 2HB TYR 35 -4.680 1.506 -3.496 413 2HB TYR 35 3HB TYR 35 -6.407 1.618 -3.848 414 HD1 TYR 35 HD1 TYR 35 -3.314 0.571 -5.728 415 HD2 TYR 35 HD2 TYR 35 -7.370 -0.403 -4.611 416 HE1 TYR 35 HE1 TYR 35 -3.285 -1.323 -7.285 417 HE2 TYR 35 HE2 TYR 35 -7.222 -2.475 -5.981 418 HH TYR 35 HH TYR 35 -4.692 -2.878 -8.341 419 QB TYR 35 QB TYR 35 -5.543 1.562 -3.672 420 QR TYR 35 QR TYR 35 -5.298 -0.907 -5.901 421 H SER 36 HN SER 36 -4.892 1.790 -7.631 422 HA SER 36 HA SER 36 -7.095 3.264 -8.732 423 1HB SER 36 2HB SER 36 -6.674 2.122 -10.785 424 2HB SER 36 3HB SER 36 -5.146 2.626 -10.075 425 HG SER 36 HG SER 36 -4.711 0.553 -9.483 426 QB SER 36 QB SER 36 -5.910 2.374 -10.430 427 H GLY 37 HN GLY 37 -6.804 -0.247 -8.903 428 1HA GLY 37 1HA GLY 37 -9.154 -0.973 -7.422 429 2HA GLY 37 2HA GLY 37 -9.608 -0.691 -9.111 430 QA GLY 37 QA GLY 37 -9.381 -0.832 -8.267 431 H CYS 38 HN CYS 38 -6.908 -1.677 -10.089 432 HA CYS 38 HA CYS 38 -7.050 -4.555 -9.517 433 1HB CYS 38 2HB CYS 38 -7.189 -5.131 -11.862 434 2HB CYS 38 3HB CYS 38 -8.644 -4.291 -11.345 435 QB CYS 38 QB CYS 38 -7.916 -4.711 -11.604 436 H GLY 39 HN GLY 39 -5.213 -5.655 -10.796 437 1HA GLY 39 1HA GLY 39 -2.977 -5.994 -10.771 438 2HA GLY 39 2HA GLY 39 -2.908 -4.566 -11.795 439 QA GLY 39 QA GLY 39 -2.942 -5.280 -11.283 440 H GLY 40 HN GLY 40 -3.694 -4.936 -8.329 441 1HA GLY 40 1HA GLY 40 -1.645 -3.009 -7.488 442 2HA GLY 40 2HA GLY 40 -2.865 -3.738 -6.470 443 QA GLY 40 QA GLY 40 -2.255 -3.374 -6.979 444 H ASN 41 HN ASN 41 -1.121 -4.175 -4.930 445 HA ASN 41 HA ASN 41 -0.018 -6.874 -5.360 446 1HB ASN 41 2HB ASN 41 2.102 -6.256 -4.379 447 2HB ASN 41 3HB ASN 41 1.832 -5.314 -5.821 448 1HD2 ASN 41 2HD2 ASN 41 2.966 -2.581 -3.817 449 2HD2 ASN 41 1HD2 ASN 41 3.433 -3.788 -4.983 450 QB ASN 41 QB ASN 41 1.967 -5.785 -5.100 451 QD2 ASN 41 QD2 ASN 41 3.199 -3.185 -4.400 452 H ALA 42 HN ALA 42 1.134 -7.199 -2.906 453 HA ALA 42 HA ALA 42 -1.209 -7.388 -1.149 454 1HB ALA 42 3HB ALA 42 1.640 -8.428 -1.050 455 2HB ALA 42 1HB ALA 42 0.487 -8.663 0.278 456 3HB ALA 42 2HB ALA 42 0.161 -9.343 -1.328 457 QB ALA 42 QB ALA 42 0.763 -8.811 -0.700 458 H ASN 43 HN ASN 43 1.261 -5.017 -1.587 459 HA ASN 43 HA ASN 43 1.539 -4.356 1.275 460 1HB ASN 43 2HB ASN 43 3.445 -4.230 -0.438 461 2HB ASN 43 3HB ASN 43 2.619 -2.834 -1.134 462 1HD2 ASN 43 2HD2 ASN 43 5.054 -1.324 1.098 463 2HD2 ASN 43 1HD2 ASN 43 5.020 -2.165 -0.411 464 QB ASN 43 QB ASN 43 3.032 -3.532 -0.786 465 QD2 ASN 43 QD2 ASN 43 5.037 -1.744 0.344 466 NH1 ARG 44 NH2 ARG 44 -6.619 -2.843 -2.556 467 NH2 ARG 44 NH1 ARG 44 -5.630 -4.729 -3.476 468 H ARG 44 HN ARG 44 -1.005 -4.186 1.090 469 HA ARG 44 HA ARG 44 -1.710 -1.337 0.648 470 1HB ARG 44 2HB ARG 44 -1.849 -2.444 -1.556 471 2HB ARG 44 3HB ARG 44 -3.053 -3.568 -0.893 472 1HG ARG 44 2HG ARG 44 -4.596 -1.704 -0.473 473 2HG ARG 44 3HG ARG 44 -3.326 -0.517 -0.816 474 1HD ARG 44 2HD ARG 44 -4.909 -0.804 -2.705 475 2HD ARG 44 3HD ARG 44 -3.227 -1.097 -3.126 476 HE ARG 44 HE ARG 44 -3.549 -3.349 -3.414 477 1HH1 ARG 44 2HH2 ARG 44 -6.529 -1.899 -2.206 478 2HH1 ARG 44 1HH2 ARG 44 -7.528 -3.280 -2.546 479 1HH2 ARG 44 2HH1 ARG 44 -4.803 -5.218 -3.792 480 2HH2 ARG 44 1HH1 ARG 44 -6.507 -5.226 -3.471 481 QB ARG 44 QB ARG 44 -2.451 -3.006 -1.225 482 QG ARG 44 QG ARG 44 -3.961 -1.111 -0.645 483 QD ARG 44 QD ARG 44 -4.068 -0.951 -2.915 484 QH1 ARG 44 QH2 ARG 44 -7.029 -2.590 -2.376 485 QH2 ARG 44 QH1 ARG 44 -5.655 -5.222 -3.631 486 H PHE 45 HN PHE 45 -2.912 -0.743 2.260 487 HA PHE 45 HA PHE 45 -4.486 -2.678 3.936 488 1HB PHE 45 2HB PHE 45 -2.668 -0.397 4.750 489 2HB PHE 45 3HB PHE 45 -3.538 -1.471 5.819 490 HD1 PHE 45 2HD PHE 45 -2.879 -3.909 5.982 491 HD2 PHE 45 1HD PHE 45 -0.564 -1.085 3.698 492 HE1 PHE 45 2HE PHE 45 -0.933 -5.417 6.101 493 HE2 PHE 45 1HE PHE 45 1.409 -2.577 3.859 494 HZ PHE 45 HZ PHE 45 1.232 -4.752 5.046 495 QB PHE 45 QB PHE 45 -3.103 -0.934 5.285 496 QR PHE 45 QR PHE 45 -0.742 -3.247 4.910 497 H LYS 46 HN LYS 46 -6.437 -1.899 4.632 498 HA LYS 46 HA LYS 46 -7.473 0.537 3.404 499 1HB LYS 46 2HB LYS 46 -8.604 -1.381 5.482 500 2HB LYS 46 3HB LYS 46 -9.429 0.092 4.933 501 1HG LYS 46 2HG LYS 46 -9.278 -0.671 2.588 502 2HG LYS 46 3HG LYS 46 -8.542 -2.188 3.117 503 1HD LYS 46 2HD LYS 46 -11.095 -1.457 4.505 504 2HD LYS 46 3HD LYS 46 -11.292 -1.665 2.775 505 1HE LYS 46 2HE LYS 46 -10.012 -3.745 4.626 506 2HE LYS 46 3HE LYS 46 -11.721 -3.728 4.167 507 1HZ LYS 46 3HZ LYS 46 -11.064 -3.948 1.870 508 2HZ LYS 46 1HZ LYS 46 -9.472 -4.018 2.291 509 3HZ LYS 46 2HZ LYS 46 -10.505 -5.203 2.772 510 QB LYS 46 QB LYS 46 -9.016 -0.645 5.207 511 QG LYS 46 QG LYS 46 -8.910 -1.429 2.852 512 QD LYS 46 QD LYS 46 -11.194 -1.561 3.640 513 QE LYS 46 QE LYS 46 -10.866 -3.736 4.397 514 QZ LYS 46 QZ LYS 46 -10.347 -4.390 2.311 515 H THR 47 HN THR 47 -5.690 -0.169 6.349 516 HA THR 47 HA THR 47 -6.162 2.656 7.203 517 HB THR 47 HB THR 47 -6.402 2.038 9.467 518 HG1 THR 47 1HG THR 47 -6.491 -0.222 10.022 519 1HG2 THR 47 3HG2 THR 47 -8.472 1.929 8.061 520 2HG2 THR 47 1HG2 THR 47 -8.237 0.171 7.911 521 3HG2 THR 47 2HG2 THR 47 -8.524 0.896 9.501 522 QG2 THR 47 QG2 THR 47 -8.411 0.998 8.491 523 H ILE 48 HN ILE 48 -4.484 3.681 8.220 524 HA ILE 48 HA ILE 48 -1.804 2.828 7.836 525 HB ILE 48 HB ILE 48 -2.734 5.208 8.494 526 1HG1 ILE 48 2HG1 ILE 48 -0.676 5.711 9.976 527 2HG1 ILE 48 3HG1 ILE 48 -0.234 4.014 9.760 528 1HG2 ILE 48 2HG2 ILE 48 -3.952 4.330 10.536 529 2HG2 ILE 48 3HG2 ILE 48 -2.360 4.158 11.323 530 3HG2 ILE 48 1HG2 ILE 48 -2.929 5.749 10.806 531 1HD1 ILE 48 2HD1 ILE 48 -0.259 4.403 7.271 532 2HD1 ILE 48 3HD1 ILE 48 -0.655 6.109 7.583 533 3HD1 ILE 48 1HD1 ILE 48 0.893 5.449 8.133 534 QG1 ILE 48 QG1 ILE 48 -0.455 4.862 9.868 535 QG2 ILE 48 QG2 ILE 48 -3.080 4.746 10.888 536 QD1 ILE 48 QD1 ILE 48 -0.007 5.320 7.662 537 H GLU 49 HN GLU 49 -4.098 2.204 10.495 538 HA GLU 49 HA GLU 49 -2.008 1.256 12.200 539 1HB GLU 49 2HB GLU 49 -3.803 0.436 13.656 540 2HB GLU 49 3HB GLU 49 -3.959 2.143 13.229 541 1HG GLU 49 2HG GLU 49 -5.687 1.556 11.535 542 2HG GLU 49 3HG GLU 49 -5.572 -0.150 12.034 543 QB GLU 49 QB GLU 49 -3.881 1.290 13.442 544 QG GLU 49 QG GLU 49 -5.629 0.703 11.784 545 H GLU 50 HN GLU 50 -4.179 -0.377 9.843 546 HA GLU 50 HA GLU 50 -3.316 -2.992 10.586 547 1HB GLU 50 2HB GLU 50 -5.285 -2.424 9.131 548 2HB GLU 50 3HB GLU 50 -4.162 -2.030 7.830 549 1HG GLU 50 2HG GLU 50 -4.830 -4.266 7.402 550 2HG GLU 50 3HG GLU 50 -3.281 -4.507 8.232 551 QB GLU 50 QB GLU 50 -4.724 -2.227 8.481 552 QG GLU 50 QG GLU 50 -4.055 -4.387 7.817 553 H CYS 51 HN CYS 51 -2.050 -0.661 8.126 554 HA CYS 51 HA CYS 51 0.155 -2.232 7.249 555 1HB CYS 51 2HB CYS 51 -0.436 -0.191 6.075 556 2HB CYS 51 3HB CYS 51 -0.019 0.807 7.464 557 QB CYS 51 QB CYS 51 -0.227 0.308 6.770 558 NH1 ARG 52 NH2 ARG 52 0.657 3.338 15.280 559 NH2 ARG 52 NH1 ARG 52 -0.585 4.703 13.876 560 H ARG 52 HN ARG 52 0.027 0.223 9.862 561 HA ARG 52 HA ARG 52 2.657 -0.080 10.762 562 1HB ARG 52 2HB ARG 52 1.038 1.698 11.323 563 2HB ARG 52 3HB ARG 52 0.166 0.580 12.378 564 1HG ARG 52 2HG ARG 52 1.578 0.929 14.089 565 2HG ARG 52 3HG ARG 52 2.992 0.615 13.091 566 1HD ARG 52 2HD ARG 52 3.062 2.929 13.998 567 2HD ARG 52 3HD ARG 52 3.054 2.862 12.243 568 HE ARG 52 HE ARG 52 1.062 3.940 12.138 569 1HH1 ARG 52 2HH2 ARG 52 1.424 2.692 15.398 570 2HH1 ARG 52 1HH2 ARG 52 0.075 3.554 16.075 571 1HH2 ARG 52 2HH1 ARG 52 -0.751 5.109 12.967 572 2HH2 ARG 52 1HH1 ARG 52 -1.209 4.952 14.629 573 QB ARG 52 QB ARG 52 0.602 1.139 11.851 574 QG ARG 52 QG ARG 52 2.285 0.772 13.590 575 QD ARG 52 QD ARG 52 3.058 2.896 13.120 576 QH1 ARG 52 QH2 ARG 52 0.750 3.123 15.736 577 QH2 ARG 52 QH1 ARG 52 -0.980 5.031 13.798 578 NH1 ARG 53 NH2 ARG 53 -2.999 -2.878 17.740 579 NH2 ARG 53 NH1 ARG 53 -2.826 -4.933 18.795 580 H ARG 53 HN ARG 53 -0.261 -1.907 11.764 581 HA ARG 53 HA ARG 53 1.002 -3.401 13.824 582 1HB ARG 53 2HB ARG 53 -1.566 -3.090 13.142 583 2HB ARG 53 3HB ARG 53 -1.279 -4.537 12.194 584 1HG ARG 53 2HG ARG 53 -1.987 -5.464 14.171 585 2HG ARG 53 3HG ARG 53 -0.255 -5.382 14.557 586 1HD ARG 53 2HD ARG 53 -0.655 -3.189 15.705 587 2HD ARG 53 3HD ARG 53 -2.363 -3.269 15.201 588 HE ARG 53 HE ARG 53 -1.484 -5.564 16.757 589 1HH1 ARG 53 2HH2 ARG 53 -2.781 -2.281 16.956 590 2HH1 ARG 53 1HH2 ARG 53 -3.577 -2.507 18.480 591 1HH2 ARG 53 2HH1 ARG 53 -2.496 -5.888 18.814 592 2HH2 ARG 53 1HH1 ARG 53 -3.377 -4.601 19.575 593 QB ARG 53 QB ARG 53 -1.422 -3.813 12.668 594 QG ARG 53 QG ARG 53 -1.121 -5.423 14.364 595 QD ARG 53 QD ARG 53 -1.509 -3.229 15.453 596 QH1 ARG 53 QH2 ARG 53 -3.179 -2.394 17.718 597 QH2 ARG 53 QH1 ARG 53 -2.937 -5.245 19.194 598 H THR 54 HN THR 54 0.602 -3.942 10.313 599 HA THR 54 HA THR 54 1.489 -6.677 10.395 600 HB THR 54 HB THR 54 1.315 -4.724 8.060 601 HG1 THR 54 1HG THR 54 -0.700 -5.043 9.107 602 1HG2 THR 54 2HG2 THR 54 1.437 -7.776 8.160 603 2HG2 THR 54 3HG2 THR 54 1.048 -6.826 6.720 604 3HG2 THR 54 1HG2 THR 54 2.660 -6.708 7.439 605 QG2 THR 54 QG2 THR 54 1.715 -7.103 7.440 606 H CYS 55 HN CYS 55 3.104 -3.587 9.469 607 HA CYS 55 HA CYS 55 5.533 -5.186 8.858 608 1HB CYS 55 2HB CYS 55 4.553 -3.840 7.109 609 2HB CYS 55 3HB CYS 55 5.081 -2.376 7.965 610 QB CYS 55 QB CYS 55 4.817 -3.108 7.537 611 H VAL 56 HN VAL 56 4.774 -2.198 10.585 612 HA VAL 56 HA VAL 56 7.282 -2.251 12.085 613 HB VAL 56 HB VAL 56 4.819 -0.554 12.591 614 1HG1 VAL 56 2HG1 VAL 56 7.751 -0.178 13.303 615 2HG1 VAL 56 3HG1 VAL 56 6.548 1.121 13.375 616 3HG1 VAL 56 1HG1 VAL 56 6.362 -0.274 14.414 617 1HG2 VAL 56 3HG2 VAL 56 7.114 -0.028 10.668 618 2HG2 VAL 56 1HG2 VAL 56 5.389 -0.186 10.249 619 3HG2 VAL 56 2HG2 VAL 56 5.939 1.198 11.183 620 QG1 VAL 56 QG1 VAL 56 6.887 0.223 13.697 621 QG2 VAL 56 QG2 VAL 56 6.147 0.328 10.700 622 QQG VAL 56 QQG VAL 56 6.517 0.276 12.199 623 H GLY 57 HN GLY 57 6.875 -2.166 14.682 624 1HA GLY 57 1HA GLY 57 5.263 -3.179 16.373 625 2HA GLY 57 2HA GLY 57 5.421 -4.637 15.367 626 QA GLY 57 QA GLY 57 5.342 -3.908 15.870 Start of MODEL 15 Raw file had 626 H/Q atoms Start of MODEL 15 1 H ALA 1 HN ALA 1 9.625 -7.699 9.990 2 HA ALA 1 HA ALA 1 7.547 -6.491 9.523 3 1HB ALA 1 2HB ALA 1 9.735 -5.275 9.439 4 2HB ALA 1 3HB ALA 1 9.929 -5.735 7.733 5 3HB ALA 1 1HB ALA 1 8.641 -4.625 8.211 6 QB ALA 1 QB ALA 1 9.435 -5.212 8.461 7 H ALA 2 HN ALA 2 6.866 -8.800 8.167 8 HA ALA 2 HA ALA 2 6.093 -9.837 6.372 9 1HB ALA 2 3HB ALA 2 4.974 -7.064 5.872 10 2HB ALA 2 1HB ALA 2 4.469 -8.517 4.988 11 3HB ALA 2 2HB ALA 2 4.245 -8.422 6.745 12 QB ALA 2 QB ALA 2 4.563 -8.001 5.868 13 H LYS 3 HN LYS 3 6.665 -10.647 4.353 14 HA LYS 3 HA LYS 3 9.113 -9.615 3.298 15 1HB LYS 3 2HB LYS 3 8.052 -12.030 3.191 16 2HB LYS 3 3HB LYS 3 7.313 -11.469 1.709 17 1HG LYS 3 2HG LYS 3 10.004 -10.623 1.480 18 2HG LYS 3 3HG LYS 3 10.135 -12.205 2.228 19 1HD LYS 3 2HD LYS 3 8.641 -11.479 -0.345 20 2HD LYS 3 3HD LYS 3 10.243 -12.195 -0.292 21 1HE LYS 3 2HE LYS 3 7.658 -13.544 0.658 22 2HE LYS 3 3HE LYS 3 8.485 -13.826 -0.873 23 1HZ LYS 3 2HZ LYS 3 10.420 -14.568 0.435 24 2HZ LYS 3 3HZ LYS 3 9.505 -14.482 1.803 25 3HZ LYS 3 1HZ LYS 3 9.094 -15.521 0.600 26 QB LYS 3 QB LYS 3 7.682 -11.749 2.450 27 QG LYS 3 QG LYS 3 10.069 -11.414 1.854 28 QD LYS 3 QD LYS 3 9.442 -11.837 -0.318 29 QE LYS 3 QE LYS 3 8.071 -13.685 -0.108 30 QZ LYS 3 QZ LYS 3 9.673 -14.857 0.946 31 OH TYR 4 OH TYR 4 0.750 -8.857 4.801 32 H TYR 4 HN TYR 4 5.837 -9.808 1.931 33 HA TYR 4 HA TYR 4 6.236 -8.406 -0.449 34 1HB TYR 4 2HB TYR 4 3.821 -8.042 -0.402 35 2HB TYR 4 3HB TYR 4 4.302 -9.707 -0.071 36 HD1 TYR 4 HD2 TYR 4 2.792 -6.638 1.387 37 HD2 TYR 4 HD1 TYR 4 3.756 -10.795 2.009 38 HE1 TYR 4 HE2 TYR 4 1.163 -6.744 3.242 39 HE2 TYR 4 HE1 TYR 4 2.209 -10.859 3.939 40 HH TYR 4 HH TYR 4 0.237 -8.055 4.928 41 QB TYR 4 QB TYR 4 4.062 -8.874 -0.237 42 QR TYR 4 QR TYR 4 2.480 -8.759 2.644 43 H CYS 5 HN CYS 5 6.210 -7.101 2.725 44 HA CYS 5 HA CYS 5 5.287 -4.480 2.272 45 1HB CYS 5 2HB CYS 5 5.975 -5.747 4.420 46 2HB CYS 5 3HB CYS 5 7.588 -5.086 4.152 47 QB CYS 5 QB CYS 5 6.781 -5.417 4.286 48 H LYS 6 HN LYS 6 8.195 -6.032 1.152 49 HA LYS 6 HA LYS 6 9.698 -3.648 0.547 50 1HB LYS 6 2HB LYS 6 9.962 -6.536 0.077 51 2HB LYS 6 3HB LYS 6 10.440 -5.592 -1.338 52 1HG LYS 6 2HG LYS 6 11.965 -4.238 -0.016 53 2HG LYS 6 3HG LYS 6 11.348 -4.966 1.478 54 1HD LYS 6 2HD LYS 6 13.599 -5.752 0.796 55 2HD LYS 6 3HD LYS 6 12.389 -6.971 1.188 56 1HE LYS 6 2HE LYS 6 13.746 -7.652 -0.757 57 2HE LYS 6 3HE LYS 6 12.033 -7.518 -1.161 58 1HZ LYS 6 2HZ LYS 6 14.087 -5.482 -1.757 59 2HZ LYS 6 3HZ LYS 6 13.449 -6.546 -2.835 60 3HZ LYS 6 1HZ LYS 6 12.490 -5.392 -2.164 61 QB LYS 6 QB LYS 6 10.201 -6.064 -0.631 62 QG LYS 6 QG LYS 6 11.656 -4.602 0.731 63 QD LYS 6 QD LYS 6 12.994 -6.362 0.992 64 QE LYS 6 QE LYS 6 12.890 -7.585 -0.959 65 QZ LYS 6 QZ LYS 6 13.342 -5.807 -2.252 66 H LEU 7 HN LEU 7 6.828 -4.942 -0.979 67 HA LEU 7 HA LEU 7 7.441 -4.211 -3.629 68 1HB LEU 7 2HB LEU 7 4.817 -4.497 -2.160 69 2HB LEU 7 3HB LEU 7 4.923 -4.196 -3.893 70 HG LEU 7 HG LEU 7 6.468 -6.529 -2.776 71 1HD1 LEU 7 1HD1 LEU 7 3.833 -6.501 -2.117 72 2HD1 LEU 7 2HD1 LEU 7 3.730 -7.127 -3.772 73 3HD1 LEU 7 3HD1 LEU 7 4.720 -7.965 -2.592 74 1HD2 LEU 7 3HD2 LEU 7 6.710 -5.842 -5.168 75 2HD2 LEU 7 1HD2 LEU 7 5.954 -7.446 -5.024 76 3HD2 LEU 7 2HD2 LEU 7 4.957 -6.023 -5.391 77 QB LEU 7 QB LEU 7 4.870 -4.346 -3.026 78 QD1 LEU 7 QD1 LEU 7 4.094 -7.197 -2.827 79 QD2 LEU 7 QD2 LEU 7 5.874 -6.437 -5.194 80 QQD LEU 7 QQD LEU 7 4.984 -6.817 -4.011 81 HA PRO 8 HA PRO 8 7.137 0.217 -3.237 82 1HB PRO 8 2HB PRO 8 7.383 0.990 -5.831 83 2HB PRO 8 3HB PRO 8 8.640 0.024 -5.024 84 1HG PRO 8 2HG PRO 8 6.364 -1.025 -6.743 85 2HG PRO 8 3HG PRO 8 8.117 -1.299 -6.981 86 1HD PRO 8 2HD PRO 8 6.580 -3.088 -5.609 87 2HD PRO 8 3HD PRO 8 8.252 -2.702 -5.089 88 QB PRO 8 QB PRO 8 8.011 0.507 -5.427 89 QG PRO 8 QG PRO 8 7.241 -1.162 -6.862 90 QD PRO 8 QD PRO 8 7.416 -2.895 -5.349 91 H LEU 9 HN LEU 9 6.007 2.074 -4.773 92 HA LEU 9 HA LEU 9 3.324 2.092 -3.889 93 1HB LEU 9 2HB LEU 9 4.712 4.110 -4.132 94 2HB LEU 9 3HB LEU 9 4.741 3.911 -5.877 95 HG LEU 9 HG LEU 9 2.365 4.271 -6.047 96 1HD1 LEU 9 3HD1 LEU 9 2.342 4.345 -3.010 97 2HD1 LEU 9 1HD1 LEU 9 1.039 4.992 -3.972 98 3HD1 LEU 9 2HD1 LEU 9 1.408 3.266 -4.052 99 1HD2 LEU 9 2HD2 LEU 9 3.882 6.238 -5.939 100 2HD2 LEU 9 3HD2 LEU 9 2.277 6.627 -5.295 101 3HD2 LEU 9 1HD2 LEU 9 3.628 6.338 -4.182 102 QB LEU 9 QB LEU 9 4.727 4.011 -5.004 103 QD1 LEU 9 QD1 LEU 9 1.596 4.201 -3.678 104 QD2 LEU 9 QD2 LEU 9 3.262 6.401 -5.139 105 QQD LEU 9 QQD LEU 9 2.429 5.301 -4.408 106 NH1 ARG 10 NH2 ARG 10 0.768 -4.909 -10.039 107 NH2 ARG 10 NH1 ARG 10 2.742 -6.097 -9.873 108 H ARG 10 HN ARG 10 2.492 0.175 -4.793 109 HA ARG 10 HA ARG 10 2.169 -0.009 -7.663 110 1HB ARG 10 2HB ARG 10 2.710 -1.869 -6.078 111 2HB ARG 10 3HB ARG 10 1.083 -1.708 -5.391 112 1HG ARG 10 2HG ARG 10 1.058 -3.576 -6.900 113 2HG ARG 10 3HG ARG 10 0.136 -2.280 -7.630 114 1HD ARG 10 2HD ARG 10 1.420 -2.371 -9.493 115 2HD ARG 10 3HD ARG 10 2.848 -1.997 -8.542 116 HE ARG 10 HE ARG 10 3.485 -4.179 -8.448 117 1HH1 ARG 10 2HH2 ARG 10 0.130 -4.190 -9.689 118 2HH1 ARG 10 1HH2 ARG 10 0.369 -5.613 -10.638 119 1HH2 ARG 10 2HH1 ARG 10 3.694 -6.191 -9.549 120 2HH2 ARG 10 1HH1 ARG 10 2.356 -6.839 -10.438 121 QB ARG 10 QB ARG 10 1.897 -1.788 -5.735 122 QG ARG 10 QG ARG 10 0.597 -2.928 -7.265 123 QD ARG 10 QD ARG 10 2.134 -2.184 -9.018 124 QH1 ARG 10 QH2 ARG 10 0.249 -4.901 -10.164 125 QH2 ARG 10 QH1 ARG 10 3.025 -6.515 -9.994 126 H ILE 11 HN ILE 11 0.962 1.954 -7.977 127 HA ILE 11 HA ILE 11 -1.658 2.314 -6.947 128 HB ILE 11 HB ILE 11 -0.627 3.326 -9.615 129 1HG1 ILE 11 2HG1 ILE 11 1.056 4.002 -8.026 130 2HG1 ILE 11 3HG1 ILE 11 -0.005 5.378 -8.313 131 1HG2 ILE 11 2HG2 ILE 11 -2.839 4.181 -7.688 132 2HG2 ILE 11 3HG2 ILE 11 -2.202 5.271 -8.923 133 3HG2 ILE 11 1HG2 ILE 11 -2.989 3.754 -9.389 134 1HD1 ILE 11 3HD1 ILE 11 -1.296 4.880 -6.318 135 2HD1 ILE 11 1HD1 ILE 11 -0.028 3.693 -5.875 136 3HD1 ILE 11 2HD1 ILE 11 0.353 5.427 -6.064 137 QG1 ILE 11 QG1 ILE 11 0.525 4.690 -8.170 138 QG2 ILE 11 QG2 ILE 11 -2.677 4.402 -8.667 139 QD1 ILE 11 QD1 ILE 11 -0.324 4.667 -6.086 140 H GLY 12 HN GLY 12 -0.556 0.772 -9.940 141 1HA GLY 12 1HA GLY 12 -1.391 -1.201 -10.742 142 2HA GLY 12 2HA GLY 12 -2.900 -1.023 -9.851 143 QA GLY 12 QA GLY 12 -2.146 -1.112 -10.296 144 HA PRO 13 HA PRO 13 -3.036 0.767 -14.331 145 1HB PRO 13 2HB PRO 13 -3.233 -1.303 -16.075 146 2HB PRO 13 3HB PRO 13 -1.686 -0.902 -15.288 147 1HG PRO 13 2HG PRO 13 -3.706 -2.978 -14.358 148 2HG PRO 13 3HG PRO 13 -1.967 -3.233 -14.703 149 1HD PRO 13 2HD PRO 13 -2.835 -2.686 -12.165 150 2HD PRO 13 3HD PRO 13 -1.324 -1.966 -12.798 151 QB PRO 13 QB PRO 13 -2.459 -1.103 -15.682 152 QG PRO 13 QG PRO 13 -2.837 -3.105 -14.530 153 QD PRO 13 QD PRO 13 -2.079 -2.326 -12.481 154 H CYS 14 HN CYS 14 -5.062 0.661 -12.458 155 HA CYS 14 HA CYS 14 -7.468 0.137 -14.193 156 1HB CYS 14 2HB CYS 14 -7.026 -0.303 -11.370 157 2HB CYS 14 3HB CYS 14 -8.322 0.857 -11.610 158 QB CYS 14 QB CYS 14 -7.674 0.277 -11.490 159 H LYS 15 HN LYS 15 -9.168 1.868 -13.740 160 HA LYS 15 HA LYS 15 -7.884 4.571 -13.930 161 1HB LYS 15 2HB LYS 15 -9.517 5.125 -15.616 162 2HB LYS 15 3HB LYS 15 -8.527 3.748 -16.115 163 1HG LYS 15 2HG LYS 15 -10.380 2.195 -15.534 164 2HG LYS 15 3HG LYS 15 -11.376 3.587 -15.046 165 1HD LYS 15 2HD LYS 15 -10.926 4.521 -17.412 166 2HD LYS 15 3HD LYS 15 -10.363 2.905 -17.836 167 1HE LYS 15 2HE LYS 15 -13.128 3.696 -16.769 168 2HE LYS 15 3HE LYS 15 -12.744 3.253 -18.436 169 1HZ LYS 15 2HZ LYS 15 -12.123 1.051 -17.610 170 2HZ LYS 15 3HZ LYS 15 -12.611 1.476 -16.093 171 3HZ LYS 15 1HZ LYS 15 -13.703 1.412 -17.320 172 QB LYS 15 QB LYS 15 -9.022 4.436 -15.866 173 QG LYS 15 QG LYS 15 -10.878 2.891 -15.290 174 QD LYS 15 QD LYS 15 -10.645 3.713 -17.624 175 QE LYS 15 QE LYS 15 -12.936 3.474 -17.603 176 QZ LYS 15 QZ LYS 15 -12.813 1.313 -17.008 177 NH1 ARG 16 NH2 ARG 16 -12.682 -1.368 -9.913 178 NH2 ARG 16 NH1 ARG 16 -13.321 -0.667 -7.807 179 H ARG 16 HN ARG 16 -8.570 3.699 -11.485 180 HA ARG 16 HA ARG 16 -11.028 5.183 -10.749 181 1HB ARG 16 2HB ARG 16 -10.267 2.323 -10.127 182 2HB ARG 16 3HB ARG 16 -11.295 3.226 -9.003 183 1HG ARG 16 2HG ARG 16 -13.035 3.453 -10.605 184 2HG ARG 16 3HG ARG 16 -11.977 3.054 -11.956 185 1HD ARG 16 2HD ARG 16 -13.437 1.166 -11.483 186 2HD ARG 16 3HD ARG 16 -11.719 0.773 -11.228 187 HE ARG 16 HE ARG 16 -13.096 1.643 -8.808 188 1HH1 ARG 16 2HH2 ARG 16 -12.459 -1.153 -10.872 189 2HH1 ARG 16 1HH2 ARG 16 -12.715 -2.336 -9.629 190 1HH2 ARG 16 2HH1 ARG 16 -13.588 0.065 -7.165 191 2HH2 ARG 16 1HH1 ARG 16 -13.339 -1.620 -7.473 192 QB ARG 16 QB ARG 16 -10.781 2.774 -9.565 193 QG ARG 16 QG ARG 16 -12.506 3.254 -11.281 194 QD ARG 16 QD ARG 16 -12.578 0.970 -11.356 195 QH1 ARG 16 QH2 ARG 16 -12.587 -1.745 -10.251 196 QH2 ARG 16 QH1 ARG 16 -13.464 -0.778 -7.319 197 H LYS 17 HN LYS 17 -10.959 5.306 -8.179 198 HA LYS 17 HA LYS 17 -8.232 6.012 -7.235 199 1HB LYS 17 2HB LYS 17 -9.083 7.966 -8.459 200 2HB LYS 17 3HB LYS 17 -10.613 7.878 -7.592 201 1HG LYS 17 2HG LYS 17 -8.558 8.007 -5.623 202 2HG LYS 17 3HG LYS 17 -8.130 9.208 -6.839 203 1HD LYS 17 2HD LYS 17 -10.466 10.121 -6.692 204 2HD LYS 17 3HD LYS 17 -10.836 8.950 -5.424 205 1HE LYS 17 2HE LYS 17 -8.884 11.298 -5.300 206 2HE LYS 17 3HE LYS 17 -10.407 11.104 -4.426 207 1HZ LYS 17 3HZ LYS 17 -8.868 8.949 -3.600 208 2HZ LYS 17 1HZ LYS 17 -7.795 10.063 -3.849 209 3HZ LYS 17 2HZ LYS 17 -8.999 10.408 -2.805 210 QB LYS 17 QB LYS 17 -9.848 7.922 -8.025 211 QG LYS 17 QG LYS 17 -8.344 8.607 -6.231 212 QD LYS 17 QD LYS 17 -10.651 9.536 -6.058 213 QE LYS 17 QE LYS 17 -9.645 11.201 -4.863 214 QZ LYS 17 QZ LYS 17 -8.554 9.807 -3.418 215 H ILE 18 HN ILE 18 -8.349 4.475 -5.581 216 HA ILE 18 HA ILE 18 -10.630 4.646 -3.668 217 HB ILE 18 HB ILE 18 -9.034 2.279 -4.675 218 1HG1 ILE 18 2HG1 ILE 18 -12.031 2.870 -4.561 219 2HG1 ILE 18 3HG1 ILE 18 -11.013 3.127 -5.986 220 1HG2 ILE 18 2HG2 ILE 18 -10.959 2.394 -2.305 221 2HG2 ILE 18 3HG2 ILE 18 -10.311 0.906 -3.026 222 3HG2 ILE 18 1HG2 ILE 18 -9.224 2.020 -2.225 223 1HD1 ILE 18 3HD1 ILE 18 -10.430 0.706 -5.995 224 2HD1 ILE 18 1HD1 ILE 18 -11.638 0.445 -4.709 225 3HD1 ILE 18 2HD1 ILE 18 -12.136 1.092 -6.277 226 QG1 ILE 18 QG1 ILE 18 -11.522 2.999 -5.273 227 QG2 ILE 18 QG2 ILE 18 -10.165 1.773 -2.519 228 QD1 ILE 18 QD1 ILE 18 -11.401 0.748 -5.660 229 HA PRO 19 HA PRO 19 -7.059 6.045 -1.276 230 1HB PRO 19 2HB PRO 19 -8.270 6.517 1.139 231 2HB PRO 19 3HB PRO 19 -8.351 7.610 -0.271 232 1HG PRO 19 2HG PRO 19 -10.391 5.554 0.586 233 2HG PRO 19 3HG PRO 19 -10.683 7.252 0.107 234 1HD PRO 19 2HD PRO 19 -11.020 5.183 -1.606 235 2HD PRO 19 3HD PRO 19 -10.352 6.737 -2.199 236 QB PRO 19 QB PRO 19 -8.310 7.063 0.434 237 QG PRO 19 QG PRO 19 -10.537 6.403 0.347 238 QD PRO 19 QD PRO 19 -10.686 5.960 -1.902 239 H SER 20 HN SER 20 -5.555 4.801 -0.242 240 HA SER 20 HA SER 20 -6.329 2.637 1.577 241 1HB SER 20 2HB SER 20 -4.421 2.106 -0.756 242 2HB SER 20 3HB SER 20 -4.893 0.974 0.509 243 HG SER 20 HG SER 20 -6.791 2.139 -1.224 244 QB SER 20 QB SER 20 -4.657 1.540 -0.123 245 H PHE 21 HN PHE 21 -4.036 1.726 2.370 246 HA PHE 21 HA PHE 21 -2.000 3.866 2.491 247 1HB PHE 21 2HB PHE 21 -2.827 1.927 4.704 248 2HB PHE 21 3HB PHE 21 -1.413 2.969 4.757 249 HD1 PHE 21 2HD PHE 21 -5.147 3.003 4.564 250 HD2 PHE 21 1HD PHE 21 -1.595 5.285 5.427 251 HE1 PHE 21 2HE PHE 21 -6.544 4.811 5.514 252 HE2 PHE 21 1HE PHE 21 -3.001 7.113 6.344 253 HZ PHE 21 HZ PHE 21 -5.468 6.853 6.444 254 QB PHE 21 QB PHE 21 -2.120 2.448 4.731 255 QR PHE 21 QR PHE 21 -4.072 5.053 5.462 256 OH TYR 22 OH TYR 22 4.935 4.740 -1.746 257 H TYR 22 HN TYR 22 0.172 3.014 2.345 258 HA TYR 22 HA TYR 22 0.507 0.108 2.124 259 1HB TYR 22 2HB TYR 22 1.518 0.133 0.117 260 2HB TYR 22 3HB TYR 22 0.191 1.199 -0.263 261 HD1 TYR 22 HD2 TYR 22 1.086 3.854 0.485 262 HD2 TYR 22 HD1 TYR 22 3.477 0.531 -0.906 263 HE1 TYR 22 HE2 TYR 22 2.799 5.425 -0.358 264 HE2 TYR 22 HE1 TYR 22 5.137 2.102 -1.808 265 HH TYR 22 HH TYR 22 5.572 4.274 -2.286 266 QB TYR 22 QB TYR 22 0.855 0.666 -0.073 267 QR TYR 22 QR TYR 22 3.125 2.978 -0.647 268 OH TYR 23 OH TYR 23 9.545 -0.253 7.099 269 H TYR 23 HN TYR 23 2.961 -0.333 2.042 270 HA TYR 23 HA TYR 23 4.312 1.616 3.891 271 1HB TYR 23 2HB TYR 23 3.981 -0.710 4.682 272 2HB TYR 23 3HB TYR 23 4.915 -1.260 3.308 273 HD1 TYR 23 HD1 TYR 23 7.330 -0.852 3.191 274 HD2 TYR 23 HD2 TYR 23 5.072 0.336 6.652 275 HE1 TYR 23 HE1 TYR 23 9.380 -0.913 4.580 276 HE2 TYR 23 HE2 TYR 23 7.140 0.447 7.973 277 HH TYR 23 HH TYR 23 9.450 0.292 7.887 278 QB TYR 23 QB TYR 23 4.448 -0.985 3.995 279 QR TYR 23 QR TYR 23 7.230 -0.246 5.599 280 H LYS 24 HN LYS 24 5.550 3.086 2.781 281 HA LYS 24 HA LYS 24 6.678 2.309 0.150 282 1HB LYS 24 2HB LYS 24 5.975 4.605 0.517 283 2HB LYS 24 3HB LYS 24 7.100 4.770 1.869 284 1HG LYS 24 2HG LYS 24 8.986 4.346 0.294 285 2HG LYS 24 3HG LYS 24 7.863 4.211 -1.053 286 1HD LYS 24 2HD LYS 24 8.044 6.700 0.705 287 2HD LYS 24 3HD LYS 24 9.165 6.415 -0.633 288 1HE LYS 24 2HE LYS 24 7.154 6.209 -2.179 289 2HE LYS 24 3HE LYS 24 6.139 6.749 -0.822 290 1HZ LYS 24 2HZ LYS 24 8.363 8.275 -2.016 291 2HZ LYS 24 3HZ LYS 24 6.765 8.535 -2.289 292 3HZ LYS 24 1HZ LYS 24 7.388 8.791 -0.793 293 QB LYS 24 QB LYS 24 6.538 4.687 1.193 294 QG LYS 24 QG LYS 24 8.424 4.278 -0.380 295 QD LYS 24 QD LYS 24 8.605 6.557 0.036 296 QE LYS 24 QE LYS 24 6.647 6.479 -1.501 297 QZ LYS 24 QZ LYS 24 7.505 8.534 -1.699 298 CH2 TRP 25 CH2 TRP 25 12.333 -4.317 4.584 299 H TRP 25 HN TRP 25 7.993 0.493 0.629 300 HA TRP 25 HA TRP 25 9.815 0.233 2.695 301 1HB TRP 25 2HB TRP 25 9.274 -1.502 1.043 302 2HB TRP 25 3HB TRP 25 10.256 -0.683 -0.168 303 HD1 TRP 25 HD1 TRP 25 12.858 -1.008 -0.025 304 HE1 TRP 25 HE1 TRP 25 14.455 -2.371 1.402 305 HE3 TRP 25 HE3 TRP 25 9.498 -2.899 3.321 306 HZ2 TRP 25 HZ2 TRP 25 14.310 -4.078 3.742 307 HZ3 TRP 25 HZ3 TRP 25 10.243 -4.412 5.127 308 HH2 TRP 25 HH2 TRP 25 12.647 -5.014 5.349 309 QB TRP 25 QB TRP 25 9.765 -1.092 0.438 310 H LYS 26 HN LYS 26 10.195 2.135 -0.226 311 HA LYS 26 HA LYS 26 12.932 2.762 0.019 312 1HB LYS 26 2HB LYS 26 11.049 3.108 -1.860 313 2HB LYS 26 3HB LYS 26 11.014 4.738 -1.211 314 1HG LYS 26 2HG LYS 26 13.480 3.261 -2.315 315 2HG LYS 26 3HG LYS 26 12.424 4.328 -3.229 316 1HD LYS 26 2HD LYS 26 13.948 5.907 -2.755 317 2HD LYS 26 3HD LYS 26 12.982 6.063 -1.289 318 1HE LYS 26 2HE LYS 26 14.801 4.103 -0.524 319 2HE LYS 26 3HE LYS 26 15.762 4.984 -1.719 320 1HZ LYS 26 1HZ LYS 26 15.249 7.002 -0.403 321 2HZ LYS 26 2HZ LYS 26 14.409 6.032 0.661 322 3HZ LYS 26 3HZ LYS 26 16.034 5.854 0.493 323 QB LYS 26 QB LYS 26 11.031 3.923 -1.535 324 QG LYS 26 QG LYS 26 12.952 3.794 -2.772 325 QD LYS 26 QD LYS 26 13.465 5.985 -2.022 326 QE LYS 26 QE LYS 26 15.282 4.543 -1.122 327 QZ LYS 26 QZ LYS 26 15.231 6.296 0.250 328 H ALA 27 HN ALA 27 10.259 3.881 1.933 329 HA ALA 27 HA ALA 27 11.919 6.039 3.189 330 1HB ALA 27 1HB ALA 27 8.895 5.715 3.099 331 2HB ALA 27 2HB ALA 27 9.794 6.974 3.966 332 3HB ALA 27 3HB ALA 27 9.860 6.910 2.195 333 QB ALA 27 QB ALA 27 9.516 6.533 3.087 334 H LYS 28 HN LYS 28 10.275 3.001 3.563 335 HA LYS 28 HA LYS 28 10.064 1.516 5.123 336 1HB LYS 28 2HB LYS 28 12.169 3.046 6.709 337 2HB LYS 28 3HB LYS 28 11.528 1.447 7.106 338 1HG LYS 28 2HG LYS 28 12.177 0.699 4.765 339 2HG LYS 28 3HG LYS 28 13.027 2.222 4.573 340 1HD LYS 28 2HD LYS 28 14.796 1.544 5.785 341 2HD LYS 28 3HD LYS 28 13.805 0.968 7.118 342 1HE LYS 28 2HE LYS 28 14.286 -0.575 4.517 343 2HE LYS 28 3HE LYS 28 15.183 -0.830 6.020 344 1HZ LYS 28 3HZ LYS 28 12.268 -1.203 5.730 345 2HZ LYS 28 1HZ LYS 28 13.389 -2.401 5.779 346 3HZ LYS 28 2HZ LYS 28 13.139 -1.451 7.097 347 QB LYS 28 QB LYS 28 11.848 2.247 6.907 348 QG LYS 28 QG LYS 28 12.602 1.461 4.669 349 QD LYS 28 QD LYS 28 14.300 1.256 6.452 350 QE LYS 28 QE LYS 28 14.735 -0.702 5.269 351 QZ LYS 28 QZ LYS 28 12.932 -1.685 6.202 352 H GLN 29 HN GLN 29 8.127 3.502 4.925 353 HA GLN 29 HA GLN 29 6.946 3.223 7.599 354 1HB GLN 29 2HB GLN 29 8.186 5.351 7.684 355 2HB GLN 29 3HB GLN 29 7.284 5.954 6.282 356 1HG GLN 29 2HG GLN 29 5.226 6.012 7.552 357 2HG GLN 29 3HG GLN 29 5.920 5.014 8.842 358 1HE2 GLN 29 2HE2 GLN 29 7.226 8.931 8.653 359 2HE2 GLN 29 1HE2 GLN 29 6.952 8.063 7.152 360 QB GLN 29 QB GLN 29 7.735 5.652 6.983 361 QG GLN 29 QG GLN 29 5.573 5.513 8.197 362 QE2 GLN 29 QE2 GLN 29 7.089 8.497 7.902 363 H CYS 30 HN CYS 30 4.698 3.538 7.665 364 HA CYS 30 HA CYS 30 3.249 2.757 5.254 365 1HB CYS 30 2HB CYS 30 2.448 3.240 8.094 366 2HB CYS 30 3HB CYS 30 1.286 2.820 6.841 367 QB CYS 30 QB CYS 30 1.867 3.030 7.468 368 H LEU 31 HN LEU 31 1.969 4.086 4.036 369 HA LEU 31 HA LEU 31 1.560 6.896 4.904 370 1HB LEU 31 2HB LEU 31 2.692 6.022 2.208 371 2HB LEU 31 3HB LEU 31 2.427 7.682 2.715 372 HG LEU 31 HG LEU 31 4.428 5.821 4.057 373 1HD1 LEU 31 2HD1 LEU 31 4.975 6.093 1.710 374 2HD1 LEU 31 3HD1 LEU 31 4.978 7.857 1.875 375 3HD1 LEU 31 1HD1 LEU 31 6.169 6.872 2.762 376 1HD2 LEU 31 3HD2 LEU 31 4.136 8.848 4.117 377 2HD2 LEU 31 1HD2 LEU 31 3.796 7.735 5.463 378 3HD2 LEU 31 2HD2 LEU 31 5.453 7.903 4.856 379 QB LEU 31 QB LEU 31 2.560 6.852 2.462 380 QD1 LEU 31 QD1 LEU 31 5.374 6.940 2.116 381 QD2 LEU 31 QD2 LEU 31 4.462 8.162 4.812 382 QQD LEU 31 QQD LEU 31 4.918 7.551 3.464 383 HA PRO 32 HA PRO 32 -2.367 6.102 2.835 384 1HB PRO 32 2HB PRO 32 -3.192 8.647 2.311 385 2HB PRO 32 3HB PRO 32 -3.174 7.987 3.966 386 1HG PRO 32 2HG PRO 32 -1.087 9.731 2.632 387 2HG PRO 32 3HG PRO 32 -1.800 9.934 4.259 388 1HD PRO 32 2HD PRO 32 0.614 8.730 3.838 389 2HD PRO 32 3HD PRO 32 -0.477 8.179 5.142 390 QB PRO 32 QB PRO 32 -3.183 8.317 3.139 391 QG PRO 32 QG PRO 32 -1.444 9.833 3.445 392 QD PRO 32 QD PRO 32 0.068 8.455 4.490 393 H PHE 33 HN PHE 33 -3.186 6.174 0.623 394 HA PHE 33 HA PHE 33 -2.169 8.003 -1.274 395 1HB PHE 33 2HB PHE 33 -0.857 6.745 -2.690 396 2HB PHE 33 3HB PHE 33 -0.231 6.241 -1.147 397 HD1 PHE 33 2HD PHE 33 -1.480 4.031 -0.101 398 HD2 PHE 33 1HD PHE 33 -1.526 5.193 -4.226 399 HE1 PHE 33 2HE PHE 33 -1.901 1.672 -0.777 400 HE2 PHE 33 1HE PHE 33 -1.892 2.835 -4.897 401 HZ PHE 33 HZ PHE 33 -1.978 1.055 -3.181 402 QB PHE 33 QB PHE 33 -0.544 6.493 -1.918 403 QR PHE 33 QR PHE 33 -1.700 3.433 -2.500 404 H ASP 34 HN ASP 34 -3.043 6.895 -3.689 405 HA ASP 34 HA ASP 34 -5.762 5.830 -3.101 406 1HB ASP 34 2HB ASP 34 -4.764 7.836 -5.134 407 2HB ASP 34 3HB ASP 34 -6.137 6.788 -5.466 408 QB ASP 34 QB ASP 34 -5.450 7.312 -5.300 409 OH TYR 35 OH TYR 35 -5.797 -3.543 -7.112 410 H TYR 35 HN TYR 35 -5.830 3.791 -3.632 411 HA TYR 35 HA TYR 35 -3.994 2.544 -5.595 412 1HB TYR 35 2HB TYR 35 -4.514 1.293 -3.597 413 2HB TYR 35 3HB TYR 35 -6.241 1.586 -3.793 414 HD1 TYR 35 HD1 TYR 35 -3.481 0.208 -5.985 415 HD2 TYR 35 HD2 TYR 35 -7.415 -0.347 -4.324 416 HE1 TYR 35 HE1 TYR 35 -3.863 -1.730 -7.470 417 HE2 TYR 35 HE2 TYR 35 -7.502 -2.607 -5.349 418 HH TYR 35 HH TYR 35 -6.725 -3.820 -7.129 419 QB TYR 35 QB TYR 35 -5.378 1.439 -3.695 420 QR TYR 35 QR TYR 35 -5.565 -1.119 -5.782 421 H SER 36 HN SER 36 -4.866 1.608 -7.566 422 HA SER 36 HA SER 36 -6.889 3.312 -8.736 423 1HB SER 36 2HB SER 36 -6.514 1.978 -10.724 424 2HB SER 36 3HB SER 36 -4.985 2.469 -10.023 425 HG SER 36 HG SER 36 -4.565 0.465 -9.390 426 QB SER 36 QB SER 36 -5.750 2.223 -10.374 427 H GLY 37 HN GLY 37 -6.733 -0.196 -8.511 428 1HA GLY 37 1HA GLY 37 -9.013 -0.845 -7.015 429 2HA GLY 37 2HA GLY 37 -9.594 -0.618 -8.679 430 QA GLY 37 QA GLY 37 -9.304 -0.732 -7.847 431 H CYS 38 HN CYS 38 -7.178 -1.542 -9.994 432 HA CYS 38 HA CYS 38 -7.199 -4.437 -9.351 433 1HB CYS 38 2HB CYS 38 -7.356 -4.991 -11.673 434 2HB CYS 38 3HB CYS 38 -8.806 -4.161 -11.127 435 QB CYS 38 QB CYS 38 -8.081 -4.576 -11.400 436 H GLY 39 HN GLY 39 -5.407 -5.577 -10.013 437 1HA GLY 39 1HA GLY 39 -3.200 -5.987 -10.190 438 2HA GLY 39 2HA GLY 39 -3.076 -4.624 -11.287 439 QA GLY 39 QA GLY 39 -3.138 -5.306 -10.738 440 H GLY 40 HN GLY 40 -4.126 -4.462 -7.866 441 1HA GLY 40 1HA GLY 40 -1.870 -2.895 -6.929 442 2HA GLY 40 2HA GLY 40 -3.110 -3.696 -5.967 443 QA GLY 40 QA GLY 40 -2.490 -3.296 -6.448 444 H ASN 41 HN ASN 41 -1.455 -4.343 -4.477 445 HA ASN 41 HA ASN 41 -0.404 -7.000 -5.106 446 1HB ASN 41 2HB ASN 41 1.813 -6.393 -4.245 447 2HB ASN 41 3HB ASN 41 1.435 -5.471 -5.683 448 1HD2 ASN 41 2HD2 ASN 41 2.640 -2.693 -3.823 449 2HD2 ASN 41 1HD2 ASN 41 3.082 -3.960 -4.949 450 QB ASN 41 QB ASN 41 1.624 -5.932 -4.964 451 QD2 ASN 41 QD2 ASN 41 2.861 -3.326 -4.386 452 H ALA 42 HN ALA 42 0.954 -7.381 -2.748 453 HA ALA 42 HA ALA 42 -1.217 -7.581 -0.814 454 1HB ALA 42 1HB ALA 42 1.719 -8.330 -0.721 455 2HB ALA 42 2HB ALA 42 0.540 -8.738 0.540 456 3HB ALA 42 3HB ALA 42 0.373 -9.409 -1.091 457 QB ALA 42 QB ALA 42 0.877 -8.826 -0.424 458 H ASN 43 HN ASN 43 1.221 -5.169 -1.472 459 HA ASN 43 HA ASN 43 1.459 -4.294 1.332 460 1HB ASN 43 2HB ASN 43 3.388 -4.270 -0.397 461 2HB ASN 43 3HB ASN 43 2.569 -2.882 -1.127 462 1HD2 ASN 43 2HD2 ASN 43 4.966 -1.267 1.003 463 2HD2 ASN 43 1HD2 ASN 43 4.926 -2.128 -0.499 464 QB ASN 43 QB ASN 43 2.979 -3.576 -0.762 465 QD2 ASN 43 QD2 ASN 43 4.946 -1.697 0.252 466 NH1 ARG 44 NH2 ARG 44 -6.789 -2.547 -1.811 467 NH2 ARG 44 NH1 ARG 44 -6.236 -4.571 -2.805 468 H ARG 44 HN ARG 44 -1.071 -4.153 1.127 469 HA ARG 44 HA ARG 44 -1.753 -1.329 0.651 470 1HB ARG 44 2HB ARG 44 -1.888 -2.406 -1.608 471 2HB ARG 44 3HB ARG 44 -3.124 -3.499 -0.956 472 1HG ARG 44 2HG ARG 44 -4.534 -1.498 -0.396 473 2HG ARG 44 3HG ARG 44 -3.239 -0.431 -0.949 474 1HD ARG 44 2HD ARG 44 -5.023 -0.710 -2.627 475 2HD ARG 44 3HD ARG 44 -3.434 -1.204 -3.217 476 HE ARG 44 HE ARG 44 -4.094 -3.395 -3.372 477 1HH1 ARG 44 2HH2 ARG 44 -6.535 -1.598 -1.574 478 2HH1 ARG 44 1HH2 ARG 44 -7.683 -2.897 -1.504 479 1HH2 ARG 44 2HH1 ARG 44 -5.565 -5.155 -3.286 480 2HH2 ARG 44 1HH1 ARG 44 -7.113 -4.981 -2.524 481 QB ARG 44 QB ARG 44 -2.506 -2.953 -1.282 482 QG ARG 44 QG ARG 44 -3.887 -0.964 -0.672 483 QD ARG 44 QD ARG 44 -4.228 -0.957 -2.922 484 QH1 ARG 44 QH2 ARG 44 -7.109 -2.247 -1.539 485 QH2 ARG 44 QH1 ARG 44 -6.339 -5.068 -2.905 486 H PHE 45 HN PHE 45 -3.114 -0.744 2.180 487 HA PHE 45 HA PHE 45 -4.804 -2.709 3.709 488 1HB PHE 45 2HB PHE 45 -2.944 -0.575 4.774 489 2HB PHE 45 3HB PHE 45 -3.887 -1.719 5.709 490 HD1 PHE 45 1HD PHE 45 -0.892 -1.288 3.544 491 HD2 PHE 45 2HD PHE 45 -3.153 -4.131 5.881 492 HE1 PHE 45 1HE PHE 45 1.090 -2.769 3.680 493 HE2 PHE 45 2HE PHE 45 -1.157 -5.523 6.129 494 HZ PHE 45 HZ PHE 45 0.990 -4.863 5.008 495 QB PHE 45 QB PHE 45 -3.415 -1.147 5.242 496 QR PHE 45 QR PHE 45 -1.028 -3.428 4.808 497 H LYS 46 HN LYS 46 -6.800 -1.774 4.466 498 HA LYS 46 HA LYS 46 -7.588 0.685 3.211 499 1HB LYS 46 2HB LYS 46 -9.152 -1.099 3.444 500 2HB LYS 46 3HB LYS 46 -8.856 -1.261 5.187 501 1HG LYS 46 2HG LYS 46 -9.818 0.788 5.689 502 2HG LYS 46 3HG LYS 46 -9.827 1.332 3.999 503 1HD LYS 46 2HD LYS 46 -11.477 -1.039 4.983 504 2HD LYS 46 3HD LYS 46 -12.057 0.633 5.120 505 1HE LYS 46 2HE LYS 46 -11.792 0.957 2.665 506 2HE LYS 46 3HE LYS 46 -11.279 -0.729 2.495 507 1HZ LYS 46 3HZ LYS 46 -13.903 0.175 3.493 508 2HZ LYS 46 1HZ LYS 46 -13.604 -0.430 1.996 509 3HZ LYS 46 2HZ LYS 46 -13.434 -1.394 3.317 510 QB LYS 46 QB LYS 46 -9.004 -1.180 4.315 511 QG LYS 46 QG LYS 46 -9.822 1.060 4.844 512 QD LYS 46 QD LYS 46 -11.767 -0.203 5.052 513 QE LYS 46 QE LYS 46 -11.535 0.114 2.580 514 QZ LYS 46 QZ LYS 46 -13.647 -0.550 2.935 515 H THR 47 HN THR 47 -5.800 -0.081 6.089 516 HA THR 47 HA THR 47 -6.262 2.667 7.176 517 HB THR 47 HB THR 47 -6.373 1.645 9.440 518 HG1 THR 47 1HG THR 47 -7.182 -0.677 8.065 519 1HG2 THR 47 3HG2 THR 47 -8.384 2.556 8.241 520 2HG2 THR 47 1HG2 THR 47 -8.727 0.909 7.675 521 3HG2 THR 47 2HG2 THR 47 -8.743 1.272 9.406 522 QG2 THR 47 QG2 THR 47 -8.618 1.579 8.441 523 H ILE 48 HN ILE 48 -4.595 3.544 8.317 524 HA ILE 48 HA ILE 48 -1.955 2.643 7.537 525 HB ILE 48 HB ILE 48 -2.839 5.047 8.157 526 1HG1 ILE 48 2HG1 ILE 48 -0.484 4.360 7.489 527 2HG1 ILE 48 3HG1 ILE 48 -0.804 5.928 8.241 528 1HG2 ILE 48 3HG2 ILE 48 -2.063 4.171 10.938 529 2HG2 ILE 48 1HG2 ILE 48 -2.298 5.837 10.385 530 3HG2 ILE 48 2HG2 ILE 48 -3.657 4.711 10.363 531 1HD1 ILE 48 1HD1 ILE 48 0.182 3.514 9.740 532 2HD1 ILE 48 2HD1 ILE 48 1.185 4.862 9.128 533 3HD1 ILE 48 3HD1 ILE 48 -0.035 5.170 10.376 534 QG1 ILE 48 QG1 ILE 48 -0.644 5.144 7.865 535 QG2 ILE 48 QG2 ILE 48 -2.673 4.906 10.562 536 QD1 ILE 48 QD1 ILE 48 0.444 4.515 9.748 537 H GLU 49 HN GLU 49 -4.010 2.345 10.430 538 HA GLU 49 HA GLU 49 -1.884 1.253 11.948 539 1HB GLU 49 2HB GLU 49 -3.734 0.464 13.477 540 2HB GLU 49 3HB GLU 49 -3.689 2.198 13.133 541 1HG GLU 49 2HG GLU 49 -5.532 0.523 11.436 542 2HG GLU 49 3HG GLU 49 -5.969 0.845 13.111 543 QB GLU 49 QB GLU 49 -3.712 1.331 13.305 544 QG GLU 49 QG GLU 49 -5.750 0.684 12.274 545 H GLU 50 HN GLU 50 -4.227 -0.429 9.824 546 HA GLU 50 HA GLU 50 -3.276 -3.029 10.472 547 1HB GLU 50 2HB GLU 50 -4.997 -1.900 8.451 548 2HB GLU 50 3HB GLU 50 -3.808 -2.889 7.642 549 1HG GLU 50 2HG GLU 50 -5.465 -3.883 9.981 550 2HG GLU 50 3HG GLU 50 -5.848 -4.156 8.272 551 QB GLU 50 QB GLU 50 -4.403 -2.394 8.047 552 QG GLU 50 QG GLU 50 -5.657 -4.019 9.126 553 H CYS 51 HN CYS 51 -2.148 -0.744 7.927 554 HA CYS 51 HA CYS 51 -0.030 -2.325 6.943 555 1HB CYS 51 2HB CYS 51 -0.753 -0.219 5.831 556 2HB CYS 51 3HB CYS 51 -0.050 0.721 7.161 557 QB CYS 51 QB CYS 51 -0.401 0.251 6.496 558 NH1 ARG 52 NH2 ARG 52 1.908 1.483 15.210 559 NH2 ARG 52 NH1 ARG 52 0.064 2.876 15.315 560 H ARG 52 HN ARG 52 0.056 0.150 9.544 561 HA ARG 52 HA ARG 52 2.820 -0.207 10.013 562 1HB ARG 52 2HB ARG 52 1.403 1.788 10.571 563 2HB ARG 52 3HB ARG 52 0.752 0.879 11.955 564 1HG ARG 52 2HG ARG 52 3.059 0.624 12.817 565 2HG ARG 52 3HG ARG 52 3.704 1.448 11.392 566 1HD ARG 52 2HD ARG 52 3.597 2.845 13.495 567 2HD ARG 52 3HD ARG 52 2.887 3.541 12.035 568 HE ARG 52 HE ARG 52 0.857 3.590 12.995 569 1HH1 ARG 52 2HH2 ARG 52 2.818 1.188 14.835 570 2HH1 ARG 52 1HH2 ARG 52 1.554 0.732 15.798 571 1HH2 ARG 52 2HH1 ARG 52 -0.503 3.626 14.947 572 2HH2 ARG 52 1HH1 ARG 52 -0.134 2.532 16.244 573 QB ARG 52 QB ARG 52 1.077 1.334 11.263 574 QG ARG 52 QG ARG 52 3.382 1.036 12.104 575 QD ARG 52 QD ARG 52 3.242 3.193 12.765 576 QH1 ARG 52 QH2 ARG 52 2.186 0.960 15.316 577 QH2 ARG 52 QH1 ARG 52 -0.318 3.079 15.595 578 NH1 ARG 53 NH2 ARG 53 0.607 -5.723 17.080 579 NH2 ARG 53 NH1 ARG 53 -1.015 -5.401 18.711 580 H ARG 53 HN ARG 53 -0.045 -1.729 11.472 581 HA ARG 53 HA ARG 53 1.403 -3.074 13.547 582 1HB ARG 53 2HB ARG 53 -1.151 -2.582 13.336 583 2HB ARG 53 3HB ARG 53 -1.216 -4.037 12.342 584 1HG ARG 53 2HG ARG 53 -1.793 -4.634 14.558 585 2HG ARG 53 3HG ARG 53 -0.136 -5.227 14.367 586 1HD ARG 53 2HD ARG 53 0.739 -3.331 15.693 587 2HD ARG 53 3HD ARG 53 -0.762 -2.453 15.503 588 HE ARG 53 HE ARG 53 -1.684 -3.457 17.261 589 1HH1 ARG 53 2HH2 ARG 53 1.015 -5.431 16.202 590 2HH1 ARG 53 1HH2 ARG 53 0.987 -6.531 17.548 591 1HH2 ARG 53 2HH1 ARG 53 -1.803 -4.881 19.071 592 2HH2 ARG 53 1HH1 ARG 53 -0.690 -6.201 19.232 593 QB ARG 53 QB ARG 53 -1.184 -3.310 12.839 594 QG ARG 53 QG ARG 53 -0.964 -4.930 14.463 595 QD ARG 53 QD ARG 53 -0.011 -2.892 15.598 596 QH1 ARG 53 QH2 ARG 53 1.001 -5.981 16.875 597 QH2 ARG 53 QH1 ARG 53 -1.247 -5.541 19.151 598 H THR 54 HN THR 54 0.770 -3.833 10.150 599 HA THR 54 HA THR 54 1.572 -6.612 10.357 600 HB THR 54 HB THR 54 1.291 -4.746 7.965 601 HG1 THR 54 1HG THR 54 -0.656 -5.107 9.056 602 1HG2 THR 54 2HG2 THR 54 2.710 -6.743 7.428 603 2HG2 THR 54 3HG2 THR 54 1.410 -7.798 8.044 604 3HG2 THR 54 1HG2 THR 54 1.141 -6.778 6.617 605 QG2 THR 54 QG2 THR 54 1.754 -7.106 7.363 606 H CYS 55 HN CYS 55 3.218 -3.629 9.126 607 HA CYS 55 HA CYS 55 5.639 -5.282 8.666 608 1HB CYS 55 2HB CYS 55 5.146 -2.390 7.948 609 2HB CYS 55 3HB CYS 55 6.559 -3.363 7.565 610 QB CYS 55 QB CYS 55 5.852 -2.877 7.757 611 H VAL 56 HN VAL 56 4.611 -2.765 10.848 612 HA VAL 56 HA VAL 56 7.263 -2.504 12.174 613 HB VAL 56 HB VAL 56 4.970 -0.489 12.135 614 1HG1 VAL 56 3HG1 VAL 56 7.832 -0.400 13.042 615 2HG1 VAL 56 1HG1 VAL 56 7.124 1.070 12.353 616 3HG1 VAL 56 2HG1 VAL 56 6.382 0.352 13.754 617 1HG2 VAL 56 1HG2 VAL 56 7.259 -0.603 10.159 618 2HG2 VAL 56 2HG2 VAL 56 5.518 -0.721 9.787 619 3HG2 VAL 56 3HG2 VAL 56 6.172 0.786 10.386 620 QG1 VAL 56 QG1 VAL 56 7.112 0.340 13.050 621 QG2 VAL 56 QG2 VAL 56 6.316 -0.179 10.111 622 QQG VAL 56 QQG VAL 56 6.714 0.080 11.580 623 H GLY 57 HN GLY 57 6.102 -1.317 14.500 624 1HA GLY 57 1HA GLY 57 3.855 -3.078 15.332 625 2HA GLY 57 2HA GLY 57 4.942 -2.303 16.493 626 QA GLY 57 QA GLY 57 4.399 -2.691 15.912 Start of MODEL 16 Raw file had 626 H/Q atoms Start of MODEL 16 1 H ALA 1 HN ALA 1 5.680 -7.149 9.967 2 HA ALA 1 HA ALA 1 6.892 -6.305 7.949 3 1HB ALA 1 2HB ALA 1 9.177 -7.820 9.145 4 2HB ALA 1 3HB ALA 1 9.124 -7.009 7.551 5 3HB ALA 1 1HB ALA 1 8.987 -6.047 9.035 6 QB ALA 1 QB ALA 1 9.096 -6.959 8.577 7 H ALA 2 HN ALA 2 6.726 -7.359 6.037 8 HA ALA 2 HA ALA 2 6.544 -10.290 5.909 9 1HB ALA 2 1HB ALA 2 4.212 -9.492 6.346 10 2HB ALA 2 2HB ALA 2 4.345 -8.378 4.963 11 3HB ALA 2 3HB ALA 2 4.391 -10.134 4.700 12 QB ALA 2 QB ALA 2 4.316 -9.334 5.336 13 H LYS 3 HN LYS 3 6.839 -10.968 3.630 14 HA LYS 3 HA LYS 3 8.952 -9.584 2.401 15 1HB LYS 3 2HB LYS 3 7.254 -11.916 1.740 16 2HB LYS 3 3HB LYS 3 7.677 -10.988 0.320 17 1HG LYS 3 2HG LYS 3 9.281 -12.596 0.438 18 2HG LYS 3 3HG LYS 3 10.109 -11.126 0.921 19 1HD LYS 3 2HD LYS 3 8.920 -13.160 2.896 20 2HD LYS 3 3HD LYS 3 10.512 -13.395 2.205 21 1HE LYS 3 2HE LYS 3 9.702 -11.030 3.970 22 2HE LYS 3 3HE LYS 3 10.611 -12.449 4.472 23 1HZ LYS 3 3HZ LYS 3 12.335 -11.849 2.906 24 2HZ LYS 3 1HZ LYS 3 11.524 -10.479 2.487 25 3HZ LYS 3 2HZ LYS 3 12.088 -10.667 4.017 26 QB LYS 3 QB LYS 3 7.465 -11.452 1.030 27 QG LYS 3 QG LYS 3 9.695 -11.861 0.680 28 QD LYS 3 QD LYS 3 9.716 -13.278 2.550 29 QE LYS 3 QE LYS 3 10.156 -11.739 4.221 30 QZ LYS 3 QZ LYS 3 11.983 -10.998 3.136 31 OH TYR 4 OH TYR 4 0.478 -8.143 4.784 32 H TYR 4 HN TYR 4 5.508 -9.629 1.514 33 HA TYR 4 HA TYR 4 5.715 -8.037 -0.757 34 1HB TYR 4 2HB TYR 4 3.342 -7.646 -0.485 35 2HB TYR 4 3HB TYR 4 3.754 -9.339 -0.208 36 HD1 TYR 4 HD2 TYR 4 2.854 -6.130 1.479 37 HD2 TYR 4 HD1 TYR 4 3.077 -10.420 1.835 38 HE1 TYR 4 HE2 TYR 4 1.323 -6.045 3.404 39 HE2 TYR 4 HE1 TYR 4 1.593 -10.320 3.820 40 HH TYR 4 HH TYR 4 0.003 -7.311 4.847 41 QB TYR 4 QB TYR 4 3.548 -8.492 -0.347 42 QR TYR 4 QR TYR 4 2.212 -8.228 2.634 43 H CYS 5 HN CYS 5 6.032 -7.033 2.566 44 HA CYS 5 HA CYS 5 5.049 -4.385 2.270 45 1HB CYS 5 2HB CYS 5 5.763 -5.798 4.375 46 2HB CYS 5 3HB CYS 5 7.306 -4.959 4.191 47 QB CYS 5 QB CYS 5 6.534 -5.379 4.283 48 H LYS 6 HN LYS 6 7.945 -5.902 1.071 49 HA LYS 6 HA LYS 6 9.437 -3.469 0.567 50 1HB LYS 6 2HB LYS 6 10.530 -5.549 1.000 51 2HB LYS 6 3HB LYS 6 9.707 -6.338 -0.361 52 1HG LYS 6 2HG LYS 6 10.874 -5.164 -1.959 53 2HG LYS 6 3HG LYS 6 11.342 -3.858 -0.832 54 1HD LYS 6 2HD LYS 6 12.965 -5.186 0.265 55 2HD LYS 6 3HD LYS 6 12.302 -6.689 -0.380 56 1HE LYS 6 2HE LYS 6 14.449 -6.073 -1.498 57 2HE LYS 6 3HE LYS 6 13.092 -6.228 -2.621 58 1HZ LYS 6 2HZ LYS 6 14.146 -3.681 -1.583 59 2HZ LYS 6 3HZ LYS 6 14.405 -4.293 -3.087 60 3HZ LYS 6 1HZ LYS 6 12.891 -3.842 -2.637 61 QB LYS 6 QB LYS 6 10.119 -5.944 0.320 62 QG LYS 6 QG LYS 6 11.108 -4.511 -1.396 63 QD LYS 6 QD LYS 6 12.633 -5.937 -0.057 64 QE LYS 6 QE LYS 6 13.771 -6.150 -2.060 65 QZ LYS 6 QZ LYS 6 13.814 -3.939 -2.436 66 H LEU 7 HN LEU 7 6.664 -4.875 -1.014 67 HA LEU 7 HA LEU 7 7.381 -4.164 -3.676 68 1HB LEU 7 2HB LEU 7 4.689 -4.501 -2.318 69 2HB LEU 7 3HB LEU 7 4.894 -4.252 -4.046 70 HG LEU 7 HG LEU 7 6.412 -6.518 -2.740 71 1HD1 LEU 7 1HD1 LEU 7 3.746 -6.560 -2.338 72 2HD1 LEU 7 2HD1 LEU 7 3.802 -7.192 -4.004 73 3HD1 LEU 7 3HD1 LEU 7 4.690 -8.017 -2.750 74 1HD2 LEU 7 2HD2 LEU 7 5.146 -6.068 -5.487 75 2HD2 LEU 7 3HD2 LEU 7 6.874 -5.893 -5.108 76 3HD2 LEU 7 1HD2 LEU 7 6.092 -7.492 -5.009 77 QB LEU 7 QB LEU 7 4.792 -4.376 -3.182 78 QD1 LEU 7 QD1 LEU 7 4.079 -7.256 -3.031 79 QD2 LEU 7 QD2 LEU 7 6.037 -6.484 -5.201 80 QQD LEU 7 QQD LEU 7 5.058 -6.870 -4.116 81 HA PRO 8 HA PRO 8 7.233 0.179 -3.069 82 1HB PRO 8 2HB PRO 8 7.261 1.133 -5.639 83 2HB PRO 8 3HB PRO 8 8.591 0.142 -4.979 84 1HG PRO 8 2HG PRO 8 6.218 -0.827 -6.606 85 2HG PRO 8 3HG PRO 8 7.953 -1.090 -6.957 86 1HD PRO 8 2HD PRO 8 6.496 -2.959 -5.604 87 2HD PRO 8 3HD PRO 8 8.185 -2.587 -5.131 88 QB PRO 8 QB PRO 8 7.926 0.638 -5.309 89 QG PRO 8 QG PRO 8 7.086 -0.958 -6.781 90 QD PRO 8 QD PRO 8 7.340 -2.773 -5.368 91 H LEU 9 HN LEU 9 6.027 2.232 -4.180 92 HA LEU 9 HA LEU 9 3.240 2.157 -3.635 93 1HB LEU 9 2HB LEU 9 4.507 4.271 -3.744 94 2HB LEU 9 3HB LEU 9 4.880 3.987 -5.441 95 HG LEU 9 HG LEU 9 2.566 4.244 -6.101 96 1HD1 LEU 9 3HD1 LEU 9 1.895 4.526 -3.138 97 2HD1 LEU 9 1HD1 LEU 9 0.812 4.927 -4.468 98 3HD1 LEU 9 2HD1 LEU 9 1.313 3.259 -4.222 99 1HD2 LEU 9 2HD2 LEU 9 3.924 6.276 -5.839 100 2HD2 LEU 9 3HD2 LEU 9 2.217 6.594 -5.489 101 3HD2 LEU 9 1HD2 LEU 9 3.379 6.438 -4.156 102 QB LEU 9 QB LEU 9 4.693 4.129 -4.592 103 QD1 LEU 9 QD1 LEU 9 1.340 4.237 -3.943 104 QD2 LEU 9 QD2 LEU 9 3.173 6.436 -5.161 105 QQD LEU 9 QQD LEU 9 2.257 5.337 -4.552 106 NH1 ARG 10 NH2 ARG 10 3.831 -2.056 -11.148 107 NH2 ARG 10 NH1 ARG 10 2.981 -4.178 -11.536 108 H ARG 10 HN ARG 10 1.688 1.175 -4.765 109 HA ARG 10 HA ARG 10 2.131 0.519 -7.628 110 1HB ARG 10 2HB ARG 10 2.873 -1.247 -5.970 111 2HB ARG 10 3HB ARG 10 1.189 -1.368 -5.445 112 1HG ARG 10 2HG ARG 10 1.800 -3.137 -7.031 113 2HG ARG 10 3HG ARG 10 0.537 -2.106 -7.715 114 1HD ARG 10 2HD ARG 10 2.130 -1.008 -9.176 115 2HD ARG 10 3HD ARG 10 3.504 -1.761 -8.319 116 HE ARG 10 HE ARG 10 1.836 -3.819 -9.306 117 1HH1 ARG 10 2HH2 ARG 10 3.906 -1.244 -10.554 118 2HH1 ARG 10 1HH2 ARG 10 4.335 -2.061 -12.022 119 1HH2 ARG 10 2HH1 ARG 10 2.422 -4.968 -11.247 120 2HH2 ARG 10 1HH1 ARG 10 3.472 -4.237 -12.417 121 QB ARG 10 QB ARG 10 2.031 -1.308 -5.708 122 QG ARG 10 QG ARG 10 1.168 -2.621 -7.373 123 QD ARG 10 QD ARG 10 2.817 -1.384 -8.747 124 QH1 ARG 10 QH2 ARG 10 4.120 -1.653 -11.288 125 QH2 ARG 10 QH1 ARG 10 2.947 -4.603 -11.832 126 H ILE 11 HN ILE 11 0.736 2.341 -7.850 127 HA ILE 11 HA ILE 11 -1.945 2.463 -6.947 128 HB ILE 11 HB ILE 11 -0.810 3.546 -9.555 129 1HG1 ILE 11 2HG1 ILE 11 -0.772 4.610 -6.693 130 2HG1 ILE 11 3HG1 ILE 11 0.617 4.301 -7.746 131 1HG2 ILE 11 2HG2 ILE 11 -3.183 4.355 -7.822 132 2HG2 ILE 11 3HG2 ILE 11 -2.641 5.234 -9.260 133 3HG2 ILE 11 1HG2 ILE 11 -3.279 3.601 -9.417 134 1HD1 ILE 11 3HD1 ILE 11 -0.229 6.124 -9.273 135 2HD1 ILE 11 1HD1 ILE 11 -1.381 6.554 -7.976 136 3HD1 ILE 11 2HD1 ILE 11 0.358 6.628 -7.673 137 QG1 ILE 11 QG1 ILE 11 -0.078 4.456 -7.219 138 QG2 ILE 11 QG2 ILE 11 -3.034 4.397 -8.833 139 QD1 ILE 11 QD1 ILE 11 -0.417 6.435 -8.307 140 H GLY 12 HN GLY 12 -0.493 0.936 -9.819 141 1HA GLY 12 1HA GLY 12 -1.086 -1.118 -10.693 142 2HA GLY 12 2HA GLY 12 -2.665 -1.106 -9.905 143 QA GLY 12 QA GLY 12 -1.876 -1.112 -10.299 144 HA PRO 13 HA PRO 13 -2.309 0.289 -14.402 145 1HB PRO 13 2HB PRO 13 -3.553 -1.734 -15.783 146 2HB PRO 13 3HB PRO 13 -1.872 -1.812 -15.197 147 1HG PRO 13 2HG PRO 13 -4.342 -2.912 -13.826 148 2HG PRO 13 3HG PRO 13 -2.810 -3.771 -14.165 149 1HD PRO 13 2HD PRO 13 -3.267 -2.645 -11.749 150 2HD PRO 13 3HD PRO 13 -1.652 -2.526 -12.499 151 QB PRO 13 QB PRO 13 -2.713 -1.773 -15.490 152 QG PRO 13 QG PRO 13 -3.576 -3.341 -13.995 153 QD PRO 13 QD PRO 13 -2.459 -2.585 -12.124 154 H CYS 14 HN CYS 14 -5.260 -0.338 -12.532 155 HA CYS 14 HA CYS 14 -7.049 0.361 -14.713 156 1HB CYS 14 2HB CYS 14 -7.222 -0.451 -11.866 157 2HB CYS 14 3HB CYS 14 -8.526 0.527 -12.419 158 QB CYS 14 QB CYS 14 -7.874 0.038 -12.143 159 H LYS 15 HN LYS 15 -8.662 2.159 -14.327 160 HA LYS 15 HA LYS 15 -7.044 4.611 -13.994 161 1HB LYS 15 2HB LYS 15 -8.814 3.690 -15.992 162 2HB LYS 15 3HB LYS 15 -9.713 4.947 -15.152 163 1HG LYS 15 2HG LYS 15 -8.563 6.056 -16.867 164 2HG LYS 15 3HG LYS 15 -7.634 6.430 -15.408 165 1HD LYS 15 2HD LYS 15 -6.015 4.546 -16.059 166 2HD LYS 15 3HD LYS 15 -7.031 4.228 -17.461 167 1HE LYS 15 2HE LYS 15 -5.233 5.489 -18.315 168 2HE LYS 15 3HE LYS 15 -6.606 6.598 -18.262 169 1HZ LYS 15 3HZ LYS 15 -5.679 7.468 -16.182 170 2HZ LYS 15 1HZ LYS 15 -4.389 6.455 -16.319 171 3HZ LYS 15 2HZ LYS 15 -4.632 7.631 -17.438 172 QB LYS 15 QB LYS 15 -9.264 4.318 -15.572 173 QG LYS 15 QG LYS 15 -8.099 6.243 -16.138 174 QD LYS 15 QD LYS 15 -6.523 4.387 -16.760 175 QE LYS 15 QE LYS 15 -5.920 6.044 -18.288 176 QZ LYS 15 QZ LYS 15 -4.900 7.184 -16.646 177 NH1 ARG 16 NH2 ARG 16 -10.603 -0.797 -10.220 178 NH2 ARG 16 NH1 ARG 16 -12.593 -1.334 -9.214 179 H ARG 16 HN ARG 16 -8.994 3.016 -11.867 180 HA ARG 16 HA ARG 16 -10.592 5.346 -11.005 181 1HB ARG 16 2HB ARG 16 -10.381 2.583 -9.766 182 2HB ARG 16 3HB ARG 16 -11.529 3.842 -9.334 183 1HG ARG 16 2HG ARG 16 -12.962 3.189 -10.904 184 2HG ARG 16 3HG ARG 16 -11.779 3.517 -12.161 185 1HD ARG 16 2HD ARG 16 -12.428 1.260 -12.424 186 2HD ARG 16 3HD ARG 16 -10.802 1.218 -11.764 187 HE ARG 16 HE ARG 16 -13.333 0.902 -10.143 188 1HH1 ARG 16 2HH2 ARG 16 -9.913 -0.059 -10.363 189 2HH1 ARG 16 1HH2 ARG 16 -10.241 -1.727 -10.009 190 1HH2 ARG 16 2HH1 ARG 16 -13.562 -1.153 -8.999 191 2HH2 ARG 16 1HH1 ARG 16 -12.165 -2.175 -8.848 192 QB ARG 16 QB ARG 16 -10.955 3.213 -9.550 193 QG ARG 16 QG ARG 16 -12.370 3.353 -11.533 194 QD ARG 16 QD ARG 16 -11.615 1.239 -12.094 195 QH1 ARG 16 QH2 ARG 16 -10.077 -0.893 -10.186 196 QH2 ARG 16 QH1 ARG 16 -12.863 -1.664 -8.923 197 H LYS 17 HN LYS 17 -10.551 5.381 -8.358 198 HA LYS 17 HA LYS 17 -7.818 5.489 -7.312 199 1HB LYS 17 2HB LYS 17 -7.996 7.856 -6.732 200 2HB LYS 17 3HB LYS 17 -8.032 7.596 -8.470 201 1HG LYS 17 2HG LYS 17 -10.658 7.762 -8.211 202 2HG LYS 17 3HG LYS 17 -10.291 8.360 -6.591 203 1HD LYS 17 2HD LYS 17 -10.573 10.277 -7.905 204 2HD LYS 17 3HD LYS 17 -8.825 10.130 -7.648 205 1HE LYS 17 2HE LYS 17 -8.590 9.131 -9.944 206 2HE LYS 17 3HE LYS 17 -10.346 9.192 -10.153 207 1HZ LYS 17 2HZ LYS 17 -10.208 11.584 -10.021 208 2HZ LYS 17 3HZ LYS 17 -8.574 11.519 -9.818 209 3HZ LYS 17 1HZ LYS 17 -9.251 11.012 -11.228 210 QB LYS 17 QB LYS 17 -8.014 7.726 -7.601 211 QG LYS 17 QG LYS 17 -10.474 8.061 -7.401 212 QD LYS 17 QD LYS 17 -9.699 10.204 -7.776 213 QE LYS 17 QE LYS 17 -9.468 9.161 -10.048 214 QZ LYS 17 QZ LYS 17 -9.344 11.372 -10.356 215 H ILE 18 HN ILE 18 -8.086 4.401 -5.454 216 HA ILE 18 HA ILE 18 -10.554 4.776 -3.823 217 HB ILE 18 HB ILE 18 -9.012 2.213 -4.356 218 1HG1 ILE 18 2HG1 ILE 18 -11.840 3.031 -5.180 219 2HG1 ILE 18 3HG1 ILE 18 -10.442 2.915 -6.260 220 1HG2 ILE 18 1HG2 ILE 18 -9.877 2.352 -2.020 221 2HG2 ILE 18 2HG2 ILE 18 -11.496 2.713 -2.651 222 3HG2 ILE 18 3HG2 ILE 18 -10.736 1.134 -2.946 223 1HD1 ILE 18 1HD1 ILE 18 -10.208 0.491 -5.618 224 2HD1 ILE 18 2HD1 ILE 18 -11.811 0.614 -4.855 225 3HD1 ILE 18 3HD1 ILE 18 -11.634 0.922 -6.588 226 QG1 ILE 18 QG1 ILE 18 -11.141 2.973 -5.720 227 QG2 ILE 18 QG2 ILE 18 -10.703 2.066 -2.539 228 QD1 ILE 18 QD1 ILE 18 -11.218 0.676 -5.687 229 HA PRO 19 HA PRO 19 -7.065 6.081 -1.288 230 1HB PRO 19 2HB PRO 19 -8.369 6.689 1.076 231 2HB PRO 19 3HB PRO 19 -8.292 7.739 -0.368 232 1HG PRO 19 2HG PRO 19 -10.508 5.838 0.412 233 2HG PRO 19 3HG PRO 19 -10.657 7.536 -0.132 234 1HD PRO 19 2HD PRO 19 -11.041 5.482 -1.827 235 2HD PRO 19 3HD PRO 19 -10.148 6.931 -2.391 236 QB PRO 19 QB PRO 19 -8.330 7.214 0.354 237 QG PRO 19 QG PRO 19 -10.582 6.687 0.140 238 QD PRO 19 QD PRO 19 -10.594 6.207 -2.109 239 H SER 20 HN SER 20 -5.622 4.732 -0.321 240 HA SER 20 HA SER 20 -6.473 2.809 1.738 241 1HB SER 20 2HB SER 20 -4.637 1.918 -0.528 242 2HB SER 20 3HB SER 20 -5.293 0.940 0.790 243 HG SER 20 HG SER 20 -6.928 2.222 -1.121 244 QB SER 20 QB SER 20 -4.965 1.429 0.131 245 H PHE 21 HN PHE 21 -4.263 1.781 2.561 246 HA PHE 21 HA PHE 21 -2.107 3.831 2.555 247 1HB PHE 21 2HB PHE 21 -2.937 1.926 4.779 248 2HB PHE 21 3HB PHE 21 -1.477 2.906 4.812 249 HD1 PHE 21 2HD PHE 21 -5.214 3.100 4.759 250 HD2 PHE 21 1HD PHE 21 -1.522 5.227 5.415 251 HE1 PHE 21 2HE PHE 21 -6.467 4.950 5.827 252 HE2 PHE 21 1HE PHE 21 -2.787 7.111 6.410 253 HZ PHE 21 HZ PHE 21 -5.250 6.946 6.687 254 QB PHE 21 QB PHE 21 -2.207 2.416 4.796 255 QR PHE 21 QR PHE 21 -3.997 5.097 5.603 256 OH TYR 22 OH TYR 22 4.355 5.509 -1.488 257 H TYR 22 HN TYR 22 0.020 3.022 2.260 258 HA TYR 22 HA TYR 22 0.359 0.111 1.917 259 1HB TYR 22 2HB TYR 22 1.558 0.303 -0.038 260 2HB TYR 22 3HB TYR 22 0.141 1.246 -0.421 261 HD1 TYR 22 HD2 TYR 22 0.509 3.916 0.310 262 HD2 TYR 22 HD1 TYR 22 3.546 1.083 -0.870 263 HE1 TYR 22 HE2 TYR 22 1.972 5.771 -0.364 264 HE2 TYR 22 HE1 TYR 22 4.973 2.948 -1.634 265 HH TYR 22 HH TYR 22 3.873 6.339 -1.480 266 QB TYR 22 QB TYR 22 0.849 0.775 -0.229 267 QR TYR 22 QR TYR 22 2.750 3.429 -0.640 268 OH TYR 23 OH TYR 23 9.360 -0.502 6.978 269 H TYR 23 HN TYR 23 2.734 -0.385 2.046 270 HA TYR 23 HA TYR 23 4.103 1.469 3.922 271 1HB TYR 23 2HB TYR 23 3.836 -0.937 4.473 272 2HB TYR 23 3HB TYR 23 4.824 -1.325 3.077 273 HD1 TYR 23 HD1 TYR 23 7.213 -0.723 2.993 274 HD2 TYR 23 HD2 TYR 23 4.853 -0.261 6.554 275 HE1 TYR 23 HE1 TYR 23 9.246 -0.908 4.393 276 HE2 TYR 23 HE2 TYR 23 6.910 -0.116 7.906 277 HH TYR 23 HH TYR 23 9.234 -0.139 7.858 278 QB TYR 23 QB TYR 23 4.330 -1.131 3.775 279 QR TYR 23 QR TYR 23 7.056 -0.502 5.461 280 H LYS 24 HN LYS 24 5.416 2.992 2.943 281 HA LYS 24 HA LYS 24 6.342 2.525 0.162 282 1HB LYS 24 2HB LYS 24 5.518 4.707 0.918 283 2HB LYS 24 3HB LYS 24 6.833 4.822 2.089 284 1HG LYS 24 2HG LYS 24 8.476 4.769 0.184 285 2HG LYS 24 3HG LYS 24 7.114 4.682 -0.960 286 1HD LYS 24 2HD LYS 24 6.257 6.825 -0.152 287 2HD LYS 24 3HD LYS 24 7.530 6.900 1.084 288 1HE LYS 24 2HE LYS 24 9.251 7.071 -0.692 289 2HE LYS 24 3HE LYS 24 7.979 7.008 -1.930 290 1HZ LYS 24 3HZ LYS 24 8.239 9.094 0.145 291 2HZ LYS 24 1HZ LYS 24 8.661 9.266 -1.430 292 3HZ LYS 24 2HZ LYS 24 7.086 9.045 -1.025 293 QB LYS 24 QB LYS 24 6.176 4.765 1.504 294 QG LYS 24 QG LYS 24 7.795 4.726 -0.388 295 QD LYS 24 QD LYS 24 6.893 6.862 0.466 296 QE LYS 24 QE LYS 24 8.615 7.039 -1.311 297 QZ LYS 24 QZ LYS 24 7.995 9.135 -0.770 298 CH2 TRP 25 CH2 TRP 25 12.192 -4.353 4.053 299 H TRP 25 HN TRP 25 7.725 0.709 0.387 300 HA TRP 25 HA TRP 25 9.624 0.382 2.412 301 1HB TRP 25 2HB TRP 25 8.953 -1.349 0.830 302 2HB TRP 25 3HB TRP 25 9.879 -0.574 -0.453 303 HD1 TRP 25 HD1 TRP 25 12.480 -0.765 -0.372 304 HE1 TRP 25 HE1 TRP 25 14.178 -2.171 0.940 305 HE3 TRP 25 HE3 TRP 25 9.306 -2.886 3.000 306 HZ2 TRP 25 HZ2 TRP 25 14.133 -4.043 3.155 307 HZ3 TRP 25 HZ3 TRP 25 10.125 -4.495 4.677 308 HH2 TRP 25 HH2 TRP 25 12.550 -5.062 4.787 309 QB TRP 25 QB TRP 25 9.416 -0.961 0.188 310 H LYS 26 HN LYS 26 9.889 2.340 -0.534 311 HA LYS 26 HA LYS 26 12.635 2.926 -0.402 312 1HB LYS 26 2HB LYS 26 10.896 3.560 -2.187 313 2HB LYS 26 3HB LYS 26 10.515 4.954 -1.161 314 1HG LYS 26 2HG LYS 26 13.041 5.497 -1.215 315 2HG LYS 26 3HG LYS 26 13.216 4.223 -2.417 316 1HD LYS 26 2HD LYS 26 11.530 6.757 -2.689 317 2HD LYS 26 3HD LYS 26 13.146 6.497 -3.358 318 1HE LYS 26 2HE LYS 26 12.207 4.536 -4.687 319 2HE LYS 26 3HE LYS 26 10.590 5.029 -4.157 320 1HZ LYS 26 3HZ LYS 26 10.988 7.165 -5.243 321 2HZ LYS 26 1HZ LYS 26 12.471 6.662 -5.743 322 3HZ LYS 26 2HZ LYS 26 11.122 5.923 -6.308 323 QB LYS 26 QB LYS 26 10.706 4.257 -1.674 324 QG LYS 26 QG LYS 26 13.129 4.860 -1.816 325 QD LYS 26 QD LYS 26 12.338 6.627 -3.024 326 QE LYS 26 QE LYS 26 11.398 4.782 -4.422 327 QZ LYS 26 QZ LYS 26 11.527 6.583 -5.765 328 H ALA 27 HN ALA 27 10.020 4.014 1.697 329 HA ALA 27 HA ALA 27 11.845 5.850 3.193 330 1HB ALA 27 2HB ALA 27 9.972 6.978 2.002 331 2HB ALA 27 3HB ALA 27 8.825 5.958 2.904 332 3HB ALA 27 1HB ALA 27 9.855 7.123 3.762 333 QB ALA 27 QB ALA 27 9.551 6.686 2.889 334 H LYS 28 HN LYS 28 10.529 2.827 3.303 335 HA LYS 28 HA LYS 28 9.850 1.368 4.792 336 1HB LYS 28 2HB LYS 28 12.211 2.638 6.169 337 2HB LYS 28 3HB LYS 28 11.386 1.247 6.887 338 1HG LYS 28 2HG LYS 28 11.691 -0.108 4.917 339 2HG LYS 28 3HG LYS 28 12.463 1.225 4.052 340 1HD LYS 28 2HD LYS 28 13.593 0.090 6.627 341 2HD LYS 28 3HD LYS 28 13.967 -0.583 5.028 342 1HE LYS 28 2HE LYS 28 14.815 1.619 4.253 343 2HE LYS 28 3HE LYS 28 14.469 2.327 5.838 344 1HZ LYS 28 1HZ LYS 28 16.394 0.155 5.325 345 2HZ LYS 28 2HZ LYS 28 16.761 1.730 5.607 346 3HZ LYS 28 3HZ LYS 28 16.075 0.829 6.795 347 QB LYS 28 QB LYS 28 11.798 1.943 6.528 348 QG LYS 28 QG LYS 28 12.077 0.559 4.485 349 QD LYS 28 QD LYS 28 13.780 -0.246 5.827 350 QE LYS 28 QE LYS 28 14.642 1.973 5.045 351 QZ LYS 28 QZ LYS 28 16.410 0.905 5.909 352 H GLN 29 HN GLN 29 7.866 3.054 4.804 353 HA GLN 29 HA GLN 29 6.878 2.846 7.544 354 1HB GLN 29 2HB GLN 29 6.449 5.201 7.902 355 2HB GLN 29 3HB GLN 29 8.178 4.980 7.579 356 1HG GLN 29 2HG GLN 29 7.601 5.564 5.108 357 2HG GLN 29 3HG GLN 29 6.031 6.078 5.739 358 1HE2 GLN 29 2HE2 GLN 29 9.456 8.226 6.593 359 2HE2 GLN 29 1HE2 GLN 29 9.541 6.548 6.046 360 QB GLN 29 QB GLN 29 7.314 5.091 7.740 361 QG GLN 29 QG GLN 29 6.816 5.821 5.424 362 QE2 GLN 29 QE2 GLN 29 9.499 7.387 6.320 363 H CYS 30 HN CYS 30 4.573 3.658 7.737 364 HA CYS 30 HA CYS 30 3.087 2.736 5.339 365 1HB CYS 30 2HB CYS 30 2.376 3.196 8.197 366 2HB CYS 30 3HB CYS 30 1.187 2.697 6.991 367 QB CYS 30 QB CYS 30 1.781 2.947 7.594 368 H LEU 31 HN LEU 31 1.816 4.016 4.143 369 HA LEU 31 HA LEU 31 1.411 6.875 4.884 370 1HB LEU 31 2HB LEU 31 2.610 5.832 2.288 371 2HB LEU 31 3HB LEU 31 2.257 7.518 2.644 372 HG LEU 31 HG LEU 31 4.446 5.806 3.874 373 1HD1 LEU 31 2HD1 LEU 31 4.658 6.649 1.493 374 2HD1 LEU 31 3HD1 LEU 31 4.556 8.299 2.114 375 3HD1 LEU 31 1HD1 LEU 31 5.905 7.258 2.608 376 1HD2 LEU 31 2HD2 LEU 31 3.717 8.731 4.410 377 2HD2 LEU 31 3HD2 LEU 31 3.861 7.434 5.617 378 3HD2 LEU 31 1HD2 LEU 31 5.292 8.023 4.774 379 QB LEU 31 QB LEU 31 2.433 6.675 2.466 380 QD1 LEU 31 QD1 LEU 31 5.040 7.402 2.072 381 QD2 LEU 31 QD2 LEU 31 4.290 8.063 4.934 382 QQD LEU 31 QQD LEU 31 4.665 7.732 3.503 383 HA PRO 32 HA PRO 32 -2.406 6.009 2.615 384 1HB PRO 32 2HB PRO 32 -3.306 8.495 2.042 385 2HB PRO 32 3HB PRO 32 -3.245 7.868 3.712 386 1HG PRO 32 2HG PRO 32 -1.185 9.612 2.323 387 2HG PRO 32 3HG PRO 32 -1.944 9.894 3.917 388 1HD PRO 32 2HD PRO 32 0.491 8.700 3.669 389 2HD PRO 32 3HD PRO 32 -0.665 8.161 4.920 390 QB PRO 32 QB PRO 32 -3.276 8.182 2.877 391 QG PRO 32 QG PRO 32 -1.564 9.753 3.120 392 QD PRO 32 QD PRO 32 -0.087 8.430 4.294 393 H PHE 33 HN PHE 33 -3.244 6.089 0.397 394 HA PHE 33 HA PHE 33 -2.136 7.787 -1.587 395 1HB PHE 33 2HB PHE 33 -1.039 6.324 -3.025 396 2HB PHE 33 3HB PHE 33 -0.347 5.929 -1.469 397 HD1 PHE 33 2HD PHE 33 -1.888 3.974 -0.172 398 HD2 PHE 33 1HD PHE 33 -1.501 4.512 -4.432 399 HE1 PHE 33 2HE PHE 33 -2.171 1.544 -0.514 400 HE2 PHE 33 1HE PHE 33 -1.641 2.059 -4.746 401 HZ PHE 33 HZ PHE 33 -1.898 0.570 -2.787 402 QB PHE 33 QB PHE 33 -0.693 6.127 -2.247 403 QR PHE 33 QR PHE 33 -1.800 3.022 -2.466 404 H ASP 34 HN ASP 34 -3.148 6.918 -3.864 405 HA ASP 34 HA ASP 34 -5.885 5.874 -3.312 406 1HB ASP 34 2HB ASP 34 -4.872 8.034 -5.122 407 2HB ASP 34 3HB ASP 34 -5.962 6.859 -5.860 408 QB ASP 34 QB ASP 34 -5.417 7.446 -5.491 409 OH TYR 35 OH TYR 35 -5.377 -3.657 -6.844 410 H TYR 35 HN TYR 35 -6.162 3.886 -3.989 411 HA TYR 35 HA TYR 35 -4.163 2.569 -5.733 412 1HB TYR 35 2HB TYR 35 -4.671 1.519 -3.598 413 2HB TYR 35 3HB TYR 35 -6.402 1.614 -3.915 414 HD1 TYR 35 HD1 TYR 35 -3.452 0.350 -5.920 415 HD2 TYR 35 HD2 TYR 35 -7.315 -0.491 -4.238 416 HE1 TYR 35 HE1 TYR 35 -3.671 -1.658 -7.334 417 HE2 TYR 35 HE2 TYR 35 -7.161 -2.829 -5.137 418 HH TYR 35 HH TYR 35 -6.113 -4.214 -6.581 419 QB TYR 35 QB TYR 35 -5.536 1.566 -3.756 420 QR TYR 35 QR TYR 35 -5.400 -1.157 -5.657 421 H SER 36 HN SER 36 -4.877 1.390 -7.625 422 HA SER 36 HA SER 36 -6.942 2.832 -9.064 423 1HB SER 36 2HB SER 36 -6.342 1.511 -10.941 424 2HB SER 36 3HB SER 36 -4.859 2.084 -10.199 425 HG SER 36 HG SER 36 -4.549 0.042 -9.333 426 QB SER 36 QB SER 36 -5.601 1.797 -10.570 427 H GLY 37 HN GLY 37 -6.971 0.059 -7.074 428 1HA GLY 37 1HA GLY 37 -8.694 -1.413 -6.550 429 2HA GLY 37 2HA GLY 37 -9.719 -0.574 -7.704 430 QA GLY 37 QA GLY 37 -9.206 -0.994 -7.127 431 H CYS 38 HN CYS 38 -6.579 -1.679 -8.925 432 HA CYS 38 HA CYS 38 -7.488 -4.401 -9.509 433 1HB CYS 38 2HB CYS 38 -6.565 -2.546 -11.707 434 2HB CYS 38 3HB CYS 38 -7.030 -4.224 -11.906 435 QB CYS 38 QB CYS 38 -6.797 -3.385 -11.807 436 H GLY 39 HN GLY 39 -5.679 -5.725 -9.792 437 1HA GLY 39 1HA GLY 39 -3.565 -6.429 -10.326 438 2HA GLY 39 2HA GLY 39 -3.094 -4.755 -10.664 439 QA GLY 39 QA GLY 39 -3.330 -5.592 -10.495 440 H GLY 40 HN GLY 40 -3.299 -3.415 -8.702 441 1HA GLY 40 1HA GLY 40 -1.683 -2.641 -7.100 442 2HA GLY 40 2HA GLY 40 -2.774 -3.653 -6.146 443 QA GLY 40 QA GLY 40 -2.228 -3.147 -6.623 444 H ASN 41 HN ASN 41 -1.382 -4.404 -4.657 445 HA ASN 41 HA ASN 41 0.074 -6.759 -5.328 446 1HB ASN 41 2HB ASN 41 2.092 -6.038 -4.082 447 2HB ASN 41 3HB ASN 41 1.901 -5.167 -5.596 448 1HD2 ASN 41 2HD2 ASN 41 2.697 -2.291 -3.698 449 2HD2 ASN 41 1HD2 ASN 41 3.089 -3.432 -4.959 450 QB ASN 41 QB ASN 41 1.997 -5.602 -4.839 451 QD2 ASN 41 QD2 ASN 41 2.893 -2.861 -4.329 452 H ALA 42 HN ALA 42 1.060 -7.293 -2.811 453 HA ALA 42 HA ALA 42 -1.409 -7.379 -1.190 454 1HB ALA 42 3HB ALA 42 1.348 -8.546 -0.722 455 2HB ALA 42 1HB ALA 42 -0.071 -8.822 0.299 456 3HB ALA 42 2HB ALA 42 -0.058 -9.388 -1.383 457 QB ALA 42 QB ALA 42 0.407 -8.919 -0.602 458 H ASN 43 HN ASN 43 1.085 -5.095 -1.527 459 HA ASN 43 HA ASN 43 1.377 -4.396 1.313 460 1HB ASN 43 2HB ASN 43 3.239 -4.272 -0.472 461 2HB ASN 43 3HB ASN 43 2.382 -2.891 -1.145 462 1HD2 ASN 43 2HD2 ASN 43 4.828 -1.281 0.965 463 2HD2 ASN 43 1HD2 ASN 43 4.784 -2.168 -0.518 464 QB ASN 43 QB ASN 43 2.811 -3.581 -0.808 465 QD2 ASN 43 QD2 ASN 43 4.806 -1.724 0.224 466 NH1 ARG 44 NH2 ARG 44 -6.835 -2.756 -1.567 467 NH2 ARG 44 NH1 ARG 44 -6.047 -4.620 -2.707 468 H ARG 44 HN ARG 44 -1.178 -4.267 1.161 469 HA ARG 44 HA ARG 44 -1.827 -1.399 0.876 470 1HB ARG 44 2HB ARG 44 -2.125 -2.383 -1.377 471 2HB ARG 44 3HB ARG 44 -3.321 -3.506 -0.694 472 1HG ARG 44 2HG ARG 44 -4.758 -1.611 -0.045 473 2HG ARG 44 3HG ARG 44 -3.490 -0.451 -0.469 474 1HD ARG 44 2HD ARG 44 -5.258 -0.622 -2.234 475 2HD ARG 44 3HD ARG 44 -3.629 -0.958 -2.799 476 HE ARG 44 HE ARG 44 -4.120 -3.108 -3.279 477 1HH1 ARG 44 2HH2 ARG 44 -6.697 -1.795 -1.281 478 2HH1 ARG 44 1HH2 ARG 44 -7.664 -3.241 -1.259 479 1HH2 ARG 44 2HH1 ARG 44 -5.304 -5.086 -3.211 480 2HH2 ARG 44 1HH1 ARG 44 -6.851 -5.163 -2.432 481 QB ARG 44 QB ARG 44 -2.723 -2.944 -1.035 482 QG ARG 44 QG ARG 44 -4.124 -1.031 -0.257 483 QD ARG 44 QD ARG 44 -4.443 -0.790 -2.517 484 QH1 ARG 44 QH2 ARG 44 -7.180 -2.518 -1.270 485 QH2 ARG 44 QH1 ARG 44 -6.078 -5.125 -2.821 486 H PHE 45 HN PHE 45 -3.094 -0.803 2.458 487 HA PHE 45 HA PHE 45 -4.668 -2.759 4.096 488 1HB PHE 45 2HB PHE 45 -2.721 -0.634 5.014 489 2HB PHE 45 3HB PHE 45 -3.683 -1.681 6.039 490 HD1 PHE 45 1HD PHE 45 -0.778 -1.592 3.695 491 HD2 PHE 45 2HD PHE 45 -3.056 -4.033 6.430 492 HE1 PHE 45 1HE PHE 45 1.158 -3.111 3.956 493 HE2 PHE 45 2HE PHE 45 -1.107 -5.510 6.737 494 HZ PHE 45 HZ PHE 45 1.039 -5.009 5.564 495 QB PHE 45 QB PHE 45 -3.202 -1.157 5.526 496 QR PHE 45 QR PHE 45 -0.946 -3.561 5.205 497 H LYS 46 HN LYS 46 -6.543 -1.950 4.872 498 HA LYS 46 HA LYS 46 -7.596 0.487 3.693 499 1HB LYS 46 2HB LYS 46 -8.637 -1.462 5.780 500 2HB LYS 46 3HB LYS 46 -9.534 -0.043 5.236 501 1HG LYS 46 2HG LYS 46 -8.494 -1.654 2.975 502 2HG LYS 46 3HG LYS 46 -9.567 -2.587 4.017 503 1HD LYS 46 2HD LYS 46 -10.254 0.174 2.932 504 2HD LYS 46 3HD LYS 46 -10.676 -1.319 2.084 505 1HE LYS 46 2HE LYS 46 -12.291 -1.965 3.596 506 2HE LYS 46 3HE LYS 46 -11.488 -1.224 4.978 507 1HZ LYS 46 2HZ LYS 46 -12.960 0.269 2.917 508 2HZ LYS 46 3HZ LYS 46 -13.487 -0.078 4.436 509 3HZ LYS 46 1HZ LYS 46 -12.198 0.916 4.227 510 QB LYS 46 QB LYS 46 -9.085 -0.753 5.508 511 QG LYS 46 QG LYS 46 -9.030 -2.121 3.496 512 QD LYS 46 QD LYS 46 -10.465 -0.573 2.508 513 QE LYS 46 QE LYS 46 -11.890 -1.595 4.287 514 QZ LYS 46 QZ LYS 46 -12.882 0.369 3.860 515 H THR 47 HN THR 47 -5.628 -0.117 6.474 516 HA THR 47 HA THR 47 -6.076 2.699 7.313 517 HB THR 47 HB THR 47 -6.181 2.274 9.601 518 HG1 THR 47 1HG THR 47 -6.073 -0.509 9.172 519 1HG2 THR 47 2HG2 THR 47 -8.368 2.023 8.436 520 2HG2 THR 47 3HG2 THR 47 -8.115 0.265 8.362 521 3HG2 THR 47 1HG2 THR 47 -8.260 1.073 9.931 522 QG2 THR 47 QG2 THR 47 -8.248 1.120 8.909 523 H ILE 48 HN ILE 48 -4.305 3.703 8.200 524 HA ILE 48 HA ILE 48 -1.680 2.752 7.661 525 HB ILE 48 HB ILE 48 -2.653 5.146 8.334 526 1HG1 ILE 48 2HG1 ILE 48 -0.375 4.787 7.601 527 2HG1 ILE 48 3HG1 ILE 48 -0.640 6.112 8.750 528 1HG2 ILE 48 1HG2 ILE 48 -3.507 4.564 10.523 529 2HG2 ILE 48 2HG2 ILE 48 -1.867 4.202 11.095 530 3HG2 ILE 48 3HG2 ILE 48 -2.286 5.845 10.612 531 1HD1 ILE 48 3HD1 ILE 48 0.182 4.735 10.578 532 2HD1 ILE 48 1HD1 ILE 48 0.422 3.390 9.424 533 3HD1 ILE 48 2HD1 ILE 48 1.361 4.900 9.261 534 QG1 ILE 48 QG1 ILE 48 -0.507 5.450 8.176 535 QG2 ILE 48 QG2 ILE 48 -2.553 4.870 10.743 536 QD1 ILE 48 QD1 ILE 48 0.655 4.342 9.754 537 H GLU 49 HN GLU 49 -3.777 2.404 10.535 538 HA GLU 49 HA GLU 49 -1.593 1.398 12.066 539 1HB GLU 49 2HB GLU 49 -4.621 1.358 12.472 540 2HB GLU 49 3HB GLU 49 -3.508 0.602 13.627 541 1HG GLU 49 2HG GLU 49 -3.325 3.537 12.768 542 2HG GLU 49 3HG GLU 49 -4.067 2.963 14.267 543 QB GLU 49 QB GLU 49 -4.064 0.980 13.050 544 QG GLU 49 QG GLU 49 -3.696 3.250 13.518 545 H GLU 50 HN GLU 50 -3.975 -0.266 10.034 546 HA GLU 50 HA GLU 50 -3.186 -2.925 10.805 547 1HB GLU 50 2HB GLU 50 -4.356 -1.748 8.254 548 2HB GLU 50 3HB GLU 50 -4.035 -3.478 8.449 549 1HG GLU 50 2HG GLU 50 -5.734 -2.039 10.508 550 2HG GLU 50 3HG GLU 50 -6.421 -2.683 8.995 551 QB GLU 50 QB GLU 50 -4.195 -2.613 8.351 552 QG GLU 50 QG GLU 50 -6.078 -2.361 9.751 553 H CYS 51 HN CYS 51 -2.029 -0.730 8.210 554 HA CYS 51 HA CYS 51 0.026 -2.453 7.216 555 1HB CYS 51 2HB CYS 51 -0.653 -0.413 5.995 556 2HB CYS 51 3HB CYS 51 -0.070 0.604 7.305 557 QB CYS 51 QB CYS 51 -0.361 0.095 6.650 558 NH1 ARG 52 NH2 ARG 52 2.791 1.927 15.294 559 NH2 ARG 52 NH1 ARG 52 0.800 3.016 15.619 560 H ARG 52 HN ARG 52 0.210 0.147 9.644 561 HA ARG 52 HA ARG 52 2.939 -0.236 10.117 562 1HB ARG 52 2HB ARG 52 1.363 1.724 10.653 563 2HB ARG 52 3HB ARG 52 0.970 0.854 12.148 564 1HG ARG 52 2HG ARG 52 3.368 0.895 12.759 565 2HG ARG 52 3HG ARG 52 3.791 1.621 11.197 566 1HD ARG 52 2HD ARG 52 3.692 3.318 13.001 567 2HD ARG 52 3HD ARG 52 2.539 3.628 11.705 568 HE ARG 52 HE ARG 52 0.773 3.363 13.185 569 1HH1 ARG 52 2HH2 ARG 52 3.388 1.289 14.751 570 2HH1 ARG 52 1HH2 ARG 52 2.873 1.776 16.282 571 1HH2 ARG 52 2HH1 ARG 52 -0.079 3.296 15.166 572 2HH2 ARG 52 1HH1 ARG 52 0.838 2.925 16.618 573 QB ARG 52 QB ARG 52 1.167 1.289 11.400 574 QG ARG 52 QG ARG 52 3.579 1.258 11.978 575 QD ARG 52 QD ARG 52 3.115 3.473 12.353 576 QH1 ARG 52 QH2 ARG 52 3.131 1.532 15.516 577 QH2 ARG 52 QH1 ARG 52 0.380 3.110 15.892 578 NH1 ARG 53 NH2 ARG 53 1.044 -0.760 17.694 579 NH2 ARG 53 NH1 ARG 53 -0.728 0.491 17.018 580 H ARG 53 HN ARG 53 0.114 -1.728 11.730 581 HA ARG 53 HA ARG 53 1.727 -2.875 13.809 582 1HB ARG 53 2HB ARG 53 -0.895 -2.417 13.646 583 2HB ARG 53 3HB ARG 53 -0.949 -4.029 12.957 584 1HG ARG 53 2HG ARG 53 -1.423 -4.099 15.324 585 2HG ARG 53 3HG ARG 53 0.138 -4.879 15.063 586 1HD ARG 53 2HD ARG 53 0.055 -3.387 17.058 587 2HD ARG 53 3HD ARG 53 1.309 -2.927 15.927 588 HE ARG 53 HE ARG 53 -1.140 -1.450 15.413 589 1HH1 ARG 53 2HH2 ARG 53 1.830 -1.285 17.298 590 2HH1 ARG 53 1HH2 ARG 53 1.250 -0.120 18.441 591 1HH2 ARG 53 2HH1 ARG 53 -1.314 0.818 16.239 592 2HH2 ARG 53 1HH1 ARG 53 -0.554 1.147 17.760 593 QB ARG 53 QB ARG 53 -0.922 -3.223 13.302 594 QG ARG 53 QG ARG 53 -0.643 -4.489 15.193 595 QD ARG 53 QD ARG 53 0.682 -3.157 16.493 596 QH1 ARG 53 QH2 ARG 53 1.540 -0.703 17.870 597 QH2 ARG 53 QH1 ARG 53 -0.934 0.983 17.000 598 H THR 54 HN THR 54 0.723 -3.917 10.587 599 HA THR 54 HA THR 54 1.638 -6.642 10.888 600 HB THR 54 HB THR 54 1.198 -4.933 8.393 601 HG1 THR 54 1HG THR 54 -0.740 -5.106 9.366 602 1HG2 THR 54 1HG2 THR 54 1.459 -7.952 8.798 603 2HG2 THR 54 2HG2 THR 54 0.844 -7.200 7.319 604 3HG2 THR 54 3HG2 THR 54 2.517 -6.889 7.833 605 QG2 THR 54 QG2 THR 54 1.606 -7.347 7.984 606 H CYS 55 HN CYS 55 3.087 -3.654 9.429 607 HA CYS 55 HA CYS 55 5.531 -5.194 8.870 608 1HB CYS 55 2HB CYS 55 4.836 -2.435 7.985 609 2HB CYS 55 3HB CYS 55 6.358 -3.293 7.686 610 QB CYS 55 QB CYS 55 5.597 -2.864 7.835 611 H VAL 56 HN VAL 56 4.746 -2.318 10.782 612 HA VAL 56 HA VAL 56 7.421 -2.295 12.068 613 HB VAL 56 HB VAL 56 5.142 -0.282 12.227 614 1HG1 VAL 56 2HG1 VAL 56 8.057 -0.105 13.012 615 2HG1 VAL 56 3HG1 VAL 56 7.134 1.350 12.587 616 3HG1 VAL 56 1HG1 VAL 56 6.603 0.393 13.931 617 1HG2 VAL 56 1HG2 VAL 56 7.406 -0.287 10.218 618 2HG2 VAL 56 2HG2 VAL 56 5.660 -0.392 9.883 619 3HG2 VAL 56 3HG2 VAL 56 6.332 1.088 10.531 620 QG1 VAL 56 QG1 VAL 56 7.265 0.546 13.176 621 QG2 VAL 56 QG2 VAL 56 6.466 0.137 10.211 622 QQG VAL 56 QQG VAL 56 6.865 0.341 11.694 623 H GLY 57 HN GLY 57 6.744 -1.313 14.544 624 1HA GLY 57 1HA GLY 57 4.961 -3.249 15.889 625 2HA GLY 57 2HA GLY 57 5.966 -1.992 16.621 626 QA GLY 57 QA GLY 57 5.464 -2.621 16.255 Start of MODEL 17 Raw file had 626 H/Q atoms Start of MODEL 17 1 H ALA 1 HN ALA 1 10.027 -8.534 9.347 2 HA ALA 1 HA ALA 1 8.110 -7.241 9.016 3 1HB ALA 1 3HB ALA 1 9.369 -5.215 8.328 4 2HB ALA 1 1HB ALA 1 9.636 -5.931 6.717 5 3HB ALA 1 2HB ALA 1 7.996 -5.519 7.254 6 QB ALA 1 QB ALA 1 9.000 -5.555 7.433 7 H ALA 2 HN ALA 2 6.445 -7.371 7.030 8 HA ALA 2 HA ALA 2 6.545 -10.056 6.058 9 1HB ALA 2 1HB ALA 2 4.438 -8.858 6.475 10 2HB ALA 2 2HB ALA 2 4.814 -7.709 5.174 11 3HB ALA 2 3HB ALA 2 4.525 -9.419 4.793 12 QB ALA 2 QB ALA 2 4.592 -8.662 5.481 13 H LYS 3 HN LYS 3 6.746 -10.812 3.857 14 HA LYS 3 HA LYS 3 8.930 -9.700 2.418 15 1HB LYS 3 2HB LYS 3 7.130 -11.991 2.128 16 2HB LYS 3 3HB LYS 3 7.313 -11.185 0.577 17 1HG LYS 3 2HG LYS 3 9.065 -12.799 0.640 18 2HG LYS 3 3HG LYS 3 9.770 -11.203 0.812 19 1HD LYS 3 2HD LYS 3 10.951 -12.247 2.450 20 2HD LYS 3 3HD LYS 3 9.599 -11.727 3.448 21 1HE LYS 3 2HE LYS 3 10.066 -14.478 2.176 22 2HE LYS 3 3HE LYS 3 10.221 -14.074 3.889 23 1HZ LYS 3 1HZ LYS 3 7.708 -13.964 2.360 24 2HZ LYS 3 2HZ LYS 3 8.154 -15.193 3.356 25 3HZ LYS 3 3HZ LYS 3 7.874 -13.699 3.982 26 QB LYS 3 QB LYS 3 7.221 -11.588 1.352 27 QG LYS 3 QG LYS 3 9.417 -12.001 0.726 28 QD LYS 3 QD LYS 3 10.275 -11.987 2.949 29 QE LYS 3 QE LYS 3 10.143 -14.276 3.032 30 QZ LYS 3 QZ LYS 3 7.912 -14.285 3.232 31 OH TYR 4 OH TYR 4 1.236 -8.280 5.559 32 H TYR 4 HN TYR 4 5.411 -9.488 1.772 33 HA TYR 4 HA TYR 4 5.652 -7.883 -0.522 34 1HB TYR 4 2HB TYR 4 3.272 -7.319 -0.142 35 2HB TYR 4 3HB TYR 4 3.641 -9.043 -0.032 36 HD1 TYR 4 HD2 TYR 4 3.246 -6.002 2.207 37 HD2 TYR 4 HD1 TYR 4 2.605 -10.240 1.698 38 HE1 TYR 4 HE2 TYR 4 2.386 -6.154 4.497 39 HE2 TYR 4 HE1 TYR 4 1.425 -10.308 3.865 40 HH TYR 4 HH TYR 4 0.796 -9.109 5.758 41 QB TYR 4 QB TYR 4 3.457 -8.181 -0.087 42 QR TYR 4 QR TYR 4 2.415 -8.176 3.067 43 H CYS 5 HN CYS 5 6.184 -7.043 2.756 44 HA CYS 5 HA CYS 5 5.446 -4.308 2.719 45 1HB CYS 5 2HB CYS 5 6.238 -5.931 4.637 46 2HB CYS 5 3HB CYS 5 7.836 -5.249 4.312 47 QB CYS 5 QB CYS 5 7.037 -5.590 4.475 48 H LYS 6 HN LYS 6 8.109 -6.024 1.207 49 HA LYS 6 HA LYS 6 9.659 -3.615 0.693 50 1HB LYS 6 2HB LYS 6 9.970 -6.518 0.090 51 2HB LYS 6 3HB LYS 6 10.701 -5.358 -1.045 52 1HG LYS 6 2HG LYS 6 11.837 -4.202 0.692 53 2HG LYS 6 3HG LYS 6 11.056 -5.161 1.963 54 1HD LYS 6 2HD LYS 6 13.403 -5.646 1.609 55 2HD LYS 6 3HD LYS 6 12.392 -7.079 1.398 56 1HE LYS 6 2HE LYS 6 13.335 -5.340 -0.945 57 2HE LYS 6 3HE LYS 6 14.358 -6.625 -0.298 58 1HZ LYS 6 2HZ LYS 6 11.632 -7.143 -1.254 59 2HZ LYS 6 3HZ LYS 6 12.958 -7.248 -2.218 60 3HZ LYS 6 1HZ LYS 6 12.812 -8.238 -0.915 61 QB LYS 6 QB LYS 6 10.335 -5.938 -0.477 62 QG LYS 6 QG LYS 6 11.446 -4.681 1.328 63 QD LYS 6 QD LYS 6 12.897 -6.363 1.504 64 QE LYS 6 QE LYS 6 13.846 -5.983 -0.622 65 QZ LYS 6 QZ LYS 6 12.467 -7.543 -1.462 66 H LEU 7 HN LEU 7 6.724 -4.724 -0.741 67 HA LEU 7 HA LEU 7 7.467 -4.178 -3.439 68 1HB LEU 7 2HB LEU 7 4.773 -4.378 -2.091 69 2HB LEU 7 3HB LEU 7 5.006 -4.255 -3.832 70 HG LEU 7 HG LEU 7 6.334 -6.477 -2.240 71 1HD1 LEU 7 1HD1 LEU 7 3.614 -6.317 -2.262 72 2HD1 LEU 7 2HD1 LEU 7 3.930 -7.092 -3.839 73 3HD1 LEU 7 3HD1 LEU 7 4.507 -7.858 -2.387 74 1HD2 LEU 7 2HD2 LEU 7 5.502 -6.185 -5.168 75 2HD2 LEU 7 3HD2 LEU 7 7.172 -6.131 -4.555 76 3HD2 LEU 7 1HD2 LEU 7 6.228 -7.633 -4.444 77 QB LEU 7 QB LEU 7 4.890 -4.317 -2.961 78 QD1 LEU 7 QD1 LEU 7 4.017 -7.089 -2.830 79 QD2 LEU 7 QD2 LEU 7 6.301 -6.649 -4.722 80 QQD LEU 7 QQD LEU 7 5.159 -6.869 -3.776 81 HA PRO 8 HA PRO 8 7.164 0.275 -3.048 82 1HB PRO 8 2HB PRO 8 7.660 1.034 -5.603 83 2HB PRO 8 3HB PRO 8 8.854 0.083 -4.681 84 1HG PRO 8 2HG PRO 8 6.754 -1.009 -6.588 85 2HG PRO 8 3HG PRO 8 8.525 -1.254 -6.680 86 1HD PRO 8 2HD PRO 8 6.897 -3.070 -5.403 87 2HD PRO 8 3HD PRO 8 8.517 -2.645 -4.759 88 QB PRO 8 QB PRO 8 8.257 0.558 -5.142 89 QG PRO 8 QG PRO 8 7.640 -1.132 -6.634 90 QD PRO 8 QD PRO 8 7.707 -2.858 -5.081 91 H LEU 9 HN LEU 9 6.083 2.131 -4.608 92 HA LEU 9 HA LEU 9 3.343 1.870 -4.032 93 1HB LEU 9 2HB LEU 9 4.554 4.018 -4.013 94 2HB LEU 9 3HB LEU 9 4.699 3.974 -5.764 95 HG LEU 9 HG LEU 9 2.319 4.181 -6.070 96 1HD1 LEU 9 2HD1 LEU 9 2.089 3.641 -3.094 97 2HD1 LEU 9 3HD1 LEU 9 0.817 4.457 -3.949 98 3HD1 LEU 9 1HD1 LEU 9 1.282 2.808 -4.408 99 1HD2 LEU 9 2HD2 LEU 9 3.588 6.245 -5.536 100 2HD2 LEU 9 3HD2 LEU 9 1.882 6.342 -5.064 101 3HD2 LEU 9 1HD2 LEU 9 3.128 6.066 -3.827 102 QB LEU 9 QB LEU 9 4.626 3.996 -4.888 103 QD1 LEU 9 QD1 LEU 9 1.396 3.635 -3.817 104 QD2 LEU 9 QD2 LEU 9 2.866 6.218 -4.809 105 QQD LEU 9 QQD LEU 9 2.131 4.927 -4.313 106 NH1 ARG 10 NH2 ARG 10 2.391 -2.723 -12.077 107 NH2 ARG 10 NH1 ARG 10 2.852 -4.955 -11.658 108 H ARG 10 HN ARG 10 2.360 0.273 -5.054 109 HA ARG 10 HA ARG 10 2.240 0.185 -8.033 110 1HB ARG 10 2HB ARG 10 3.026 -1.763 -6.666 111 2HB ARG 10 3HB ARG 10 1.475 -1.773 -5.843 112 1HG ARG 10 2HG ARG 10 1.544 -3.496 -7.529 113 2HG ARG 10 3HG ARG 10 0.326 -2.287 -7.934 114 1HD ARG 10 2HD ARG 10 1.267 -1.676 -9.835 115 2HD ARG 10 3HD ARG 10 2.934 -1.726 -9.198 116 HE ARG 10 HE ARG 10 2.212 -4.370 -9.309 117 1HH1 ARG 10 2HH2 ARG 10 2.116 -1.815 -11.735 118 2HH1 ARG 10 1HH2 ARG 10 2.573 -2.835 -13.062 119 1HH2 ARG 10 2HH1 ARG 10 2.951 -5.725 -11.011 120 2HH2 ARG 10 1HH1 ARG 10 3.070 -5.118 -12.629 121 QB ARG 10 QB ARG 10 2.250 -1.768 -6.255 122 QG ARG 10 QG ARG 10 0.935 -2.891 -7.731 123 QD ARG 10 QD ARG 10 2.101 -1.701 -9.516 124 QH1 ARG 10 QH2 ARG 10 2.345 -2.325 -12.399 125 QH2 ARG 10 QH1 ARG 10 3.010 -5.421 -11.820 126 H ILE 11 HN ILE 11 0.708 1.929 -8.296 127 HA ILE 11 HA ILE 11 -1.870 1.846 -6.942 128 HB ILE 11 HB ILE 11 -0.995 3.455 -9.387 129 1HG1 ILE 11 2HG1 ILE 11 0.480 4.092 -7.593 130 2HG1 ILE 11 3HG1 ILE 11 -0.802 5.310 -7.646 131 1HG2 ILE 11 3HG2 ILE 11 -3.445 3.560 -7.585 132 2HG2 ILE 11 1HG2 ILE 11 -2.878 4.998 -8.446 133 3HG2 ILE 11 2HG2 ILE 11 -3.359 3.556 -9.352 134 1HD1 ILE 11 2HD1 ILE 11 -2.050 4.018 -5.944 135 2HD1 ILE 11 3HD1 ILE 11 -0.540 3.150 -5.609 136 3HD1 ILE 11 1HD1 ILE 11 -0.618 4.935 -5.447 137 QG1 ILE 11 QG1 ILE 11 -0.161 4.701 -7.619 138 QG2 ILE 11 QG2 ILE 11 -3.227 4.038 -8.461 139 QD1 ILE 11 QD1 ILE 11 -1.069 4.034 -5.667 140 H GLY 12 HN GLY 12 -0.616 0.832 -10.071 141 1HA GLY 12 1HA GLY 12 -1.427 -1.099 -11.172 142 2HA GLY 12 2HA GLY 12 -3.047 -0.854 -10.498 143 QA GLY 12 QA GLY 12 -2.237 -0.977 -10.835 144 HA PRO 13 HA PRO 13 -2.518 1.404 -14.621 145 1HB PRO 13 2HB PRO 13 -3.224 -0.367 -16.539 146 2HB PRO 13 3HB PRO 13 -1.612 -0.410 -15.779 147 1HG PRO 13 2HG PRO 13 -4.030 -2.083 -15.037 148 2HG PRO 13 3HG PRO 13 -2.374 -2.660 -15.401 149 1HD PRO 13 2HD PRO 13 -3.234 -2.198 -12.828 150 2HD PRO 13 3HD PRO 13 -1.548 -1.875 -13.337 151 QB PRO 13 QB PRO 13 -2.418 -0.388 -16.159 152 QG PRO 13 QG PRO 13 -3.202 -2.372 -15.219 153 QD PRO 13 QD PRO 13 -2.391 -2.037 -13.082 154 H CYS 14 HN CYS 14 -5.117 0.253 -12.675 155 HA CYS 14 HA CYS 14 -7.171 0.811 -14.716 156 1HB CYS 14 2HB CYS 14 -7.029 -0.273 -11.979 157 2HB CYS 14 3HB CYS 14 -8.468 0.610 -12.353 158 QB CYS 14 QB CYS 14 -7.749 0.169 -12.166 159 H LYS 15 HN LYS 15 -8.888 2.364 -14.108 160 HA LYS 15 HA LYS 15 -7.441 4.955 -13.675 161 1HB LYS 15 2HB LYS 15 -9.050 5.894 -15.252 162 2HB LYS 15 3HB LYS 15 -8.010 4.678 -15.973 163 1HG LYS 15 2HG LYS 15 -9.695 3.103 -16.214 164 2HG LYS 15 3HG LYS 15 -10.729 3.795 -14.956 165 1HD LYS 15 2HD LYS 15 -10.115 5.280 -17.538 166 2HD LYS 15 3HD LYS 15 -11.445 4.109 -17.409 167 1HE LYS 15 2HE LYS 15 -12.456 5.397 -15.545 168 2HE LYS 15 3HE LYS 15 -11.146 6.575 -15.611 169 1HZ LYS 15 2HZ LYS 15 -11.848 7.077 -17.886 170 2HZ LYS 15 3HZ LYS 15 -13.143 6.074 -17.708 171 3HZ LYS 15 1HZ LYS 15 -12.997 7.409 -16.764 172 QB LYS 15 QB LYS 15 -8.530 5.286 -15.613 173 QG LYS 15 QG LYS 15 -10.212 3.449 -15.585 174 QD LYS 15 QD LYS 15 -10.780 4.694 -17.473 175 QE LYS 15 QE LYS 15 -11.801 5.986 -15.578 176 QZ LYS 15 QZ LYS 15 -12.662 6.853 -17.453 177 NH1 ARG 16 NH2 ARG 16 -12.937 3.619 -7.536 178 NH2 ARG 16 NH1 ARG 16 -15.230 3.428 -7.859 179 H ARG 16 HN ARG 16 -8.240 3.735 -11.545 180 HA ARG 16 HA ARG 16 -10.645 5.186 -10.583 181 1HB ARG 16 2HB ARG 16 -9.704 2.349 -10.179 182 2HB ARG 16 3HB ARG 16 -10.426 3.189 -8.807 183 1HG ARG 16 2HG ARG 16 -12.387 3.760 -10.385 184 2HG ARG 16 3HG ARG 16 -11.701 2.569 -11.489 185 1HD ARG 16 2HD ARG 16 -12.593 0.871 -10.300 186 2HD ARG 16 3HD ARG 16 -11.813 1.374 -8.819 187 HE ARG 16 HE ARG 16 -14.565 1.676 -9.538 188 1HH1 ARG 16 2HH2 ARG 16 -12.020 3.247 -7.720 189 2HH1 ARG 16 1HH2 ARG 16 -13.009 4.363 -6.849 190 1HH2 ARG 16 2HH1 ARG 16 -16.020 3.009 -8.330 191 2HH2 ARG 16 1HH1 ARG 16 -15.410 4.132 -7.158 192 QB ARG 16 QB ARG 16 -10.065 2.769 -9.493 193 QG ARG 16 QG ARG 16 -12.044 3.164 -10.937 194 QD ARG 16 QD ARG 16 -12.203 1.122 -9.560 195 QH1 ARG 16 QH2 ARG 16 -12.514 3.805 -7.284 196 QH2 ARG 16 QH1 ARG 16 -15.715 3.571 -7.744 197 H LYS 17 HN LYS 17 -10.605 5.443 -8.246 198 HA LYS 17 HA LYS 17 -8.028 5.856 -6.925 199 1HB LYS 17 2HB LYS 17 -10.233 7.932 -7.359 200 2HB LYS 17 3HB LYS 17 -9.107 7.968 -6.009 201 1HG LYS 17 2HG LYS 17 -7.418 7.726 -8.267 202 2HG LYS 17 3HG LYS 17 -8.721 8.797 -8.809 203 1HD LYS 17 2HD LYS 17 -8.323 9.958 -6.428 204 2HD LYS 17 3HD LYS 17 -6.770 9.119 -6.523 205 1HE LYS 17 2HE LYS 17 -6.197 10.321 -8.582 206 2HE LYS 17 3HE LYS 17 -7.787 11.113 -8.585 207 1HZ LYS 17 1HZ LYS 17 -5.803 11.375 -6.416 208 2HZ LYS 17 2HZ LYS 17 -6.043 12.490 -7.610 209 3HZ LYS 17 3HZ LYS 17 -7.236 12.165 -6.525 210 QB LYS 17 QB LYS 17 -9.670 7.950 -6.684 211 QG LYS 17 QG LYS 17 -8.070 8.261 -8.538 212 QD LYS 17 QD LYS 17 -7.547 9.539 -6.476 213 QE LYS 17 QE LYS 17 -6.992 10.717 -8.583 214 QZ LYS 17 QZ LYS 17 -6.361 12.010 -6.851 215 H ILE 18 HN ILE 18 -8.292 4.739 -5.106 216 HA ILE 18 HA ILE 18 -10.807 4.852 -3.536 217 HB ILE 18 HB ILE 18 -9.072 2.385 -4.056 218 1HG1 ILE 18 2HG1 ILE 18 -11.926 2.904 -4.960 219 2HG1 ILE 18 3HG1 ILE 18 -10.491 2.893 -6.001 220 1HG2 ILE 18 3HG2 ILE 18 -9.933 2.488 -1.746 221 2HG2 ILE 18 1HG2 ILE 18 -11.578 2.741 -2.359 222 3HG2 ILE 18 2HG2 ILE 18 -10.727 1.201 -2.630 223 1HD1 ILE 18 2HD1 ILE 18 -10.036 0.550 -5.460 224 2HD1 ILE 18 3HD1 ILE 18 -11.548 0.474 -4.521 225 3HD1 ILE 18 1HD1 ILE 18 -11.601 0.802 -6.259 226 QG1 ILE 18 QG1 ILE 18 -11.208 2.898 -5.481 227 QG2 ILE 18 QG2 ILE 18 -10.746 2.143 -2.245 228 QD1 ILE 18 QD1 ILE 18 -11.062 0.608 -5.413 229 HA PRO 19 HA PRO 19 -7.285 6.198 -0.930 230 1HB PRO 19 2HB PRO 19 -8.473 6.319 1.551 231 2HB PRO 19 3HB PRO 19 -8.670 7.564 0.288 232 1HG PRO 19 2HG PRO 19 -10.519 5.232 0.868 233 2HG PRO 19 3HG PRO 19 -10.961 6.960 0.705 234 1HD PRO 19 2HD PRO 19 -11.241 5.285 -1.379 235 2HD PRO 19 3HD PRO 19 -10.542 6.911 -1.662 236 QB PRO 19 QB PRO 19 -8.571 6.942 0.920 237 QG PRO 19 QG PRO 19 -10.740 6.096 0.787 238 QD PRO 19 QD PRO 19 -10.891 6.098 -1.520 239 H SER 20 HN SER 20 -5.665 4.879 -0.022 240 HA SER 20 HA SER 20 -6.386 2.677 1.735 241 1HB SER 20 2HB SER 20 -4.593 1.964 -0.605 242 2HB SER 20 3HB SER 20 -5.400 0.894 0.535 243 HG SER 20 HG SER 20 -7.277 2.278 -0.755 244 QB SER 20 QB SER 20 -4.996 1.429 -0.035 245 H PHE 21 HN PHE 21 -4.239 1.615 2.474 246 HA PHE 21 HA PHE 21 -2.013 3.583 2.539 247 1HB PHE 21 2HB PHE 21 -3.111 1.799 4.748 248 2HB PHE 21 3HB PHE 21 -1.579 2.657 4.841 249 HD1 PHE 21 2HD PHE 21 -5.279 3.085 4.654 250 HD2 PHE 21 1HD PHE 21 -1.484 5.063 5.154 251 HE1 PHE 21 2HE PHE 21 -6.452 5.180 5.258 252 HE2 PHE 21 1HE PHE 21 -2.654 7.137 5.840 253 HZ PHE 21 HZ PHE 21 -5.141 7.220 5.828 254 QB PHE 21 QB PHE 21 -2.345 2.228 4.795 255 QR PHE 21 QR PHE 21 -3.967 5.116 5.226 256 OH TYR 22 OH TYR 22 4.492 4.651 -1.703 257 H TYR 22 HN TYR 22 0.041 2.691 2.216 258 HA TYR 22 HA TYR 22 0.366 -0.236 2.129 259 1HB TYR 22 2HB TYR 22 1.396 -0.269 0.104 260 2HB TYR 22 3HB TYR 22 0.018 0.724 -0.296 261 HD1 TYR 22 HD2 TYR 22 0.715 3.416 0.424 262 HD2 TYR 22 HD1 TYR 22 3.333 0.307 -1.031 263 HE1 TYR 22 HE2 TYR 22 2.271 5.121 -0.383 264 HE2 TYR 22 HE1 TYR 22 4.903 2.034 -1.846 265 HH TYR 22 HH TYR 22 4.064 5.510 -1.677 266 QB TYR 22 QB TYR 22 0.707 0.227 -0.096 267 QR TYR 22 QR TYR 22 2.806 2.719 -0.709 268 OH TYR 23 OH TYR 23 8.668 -0.417 7.801 269 H TYR 23 HN TYR 23 2.773 -0.672 2.016 270 HA TYR 23 HA TYR 23 4.231 1.180 3.816 271 1HB TYR 23 2HB TYR 23 3.898 -1.370 4.191 272 2HB TYR 23 3HB TYR 23 5.160 -1.574 2.992 273 HD1 TYR 23 HD1 TYR 23 7.455 -0.663 3.413 274 HD2 TYR 23 HD2 TYR 23 4.418 -0.945 6.405 275 HE1 TYR 23 HE1 TYR 23 9.166 -0.700 5.204 276 HE2 TYR 23 HE2 TYR 23 6.088 -0.531 8.170 277 HH TYR 23 HH TYR 23 9.518 -0.077 7.518 278 QB TYR 23 QB TYR 23 4.529 -1.472 3.591 279 QR TYR 23 QR TYR 23 6.782 -0.710 5.798 280 H LYS 24 HN LYS 24 5.433 2.721 2.719 281 HA LYS 24 HA LYS 24 6.498 2.064 0.019 282 1HB LYS 24 2HB LYS 24 5.600 4.279 0.466 283 2HB LYS 24 3HB LYS 24 6.811 4.577 1.703 284 1HG LYS 24 2HG LYS 24 8.582 4.628 0.168 285 2HG LYS 24 3HG LYS 24 7.688 3.776 -1.100 286 1HD LYS 24 2HD LYS 24 6.772 5.630 -1.957 287 2HD LYS 24 3HD LYS 24 6.369 6.284 -0.378 288 1HE LYS 24 2HE LYS 24 9.154 6.647 -0.488 289 2HE LYS 24 3HE LYS 24 8.658 6.874 -2.168 290 1HZ LYS 24 3HZ LYS 24 7.518 8.277 0.163 291 2HZ LYS 24 1HZ LYS 24 8.631 8.905 -0.866 292 3HZ LYS 24 2HZ LYS 24 7.120 8.556 -1.410 293 QB LYS 24 QB LYS 24 6.206 4.428 1.085 294 QG LYS 24 QG LYS 24 8.135 4.202 -0.466 295 QD LYS 24 QD LYS 24 6.570 5.957 -1.167 296 QE LYS 24 QE LYS 24 8.906 6.760 -1.328 297 QZ LYS 24 QZ LYS 24 7.757 8.579 -0.704 298 CH2 TRP 25 CH2 TRP 25 12.323 -3.924 4.903 299 H TRP 25 HN TRP 25 7.925 0.312 0.546 300 HA TRP 25 HA TRP 25 9.817 0.287 2.565 301 1HB TRP 25 2HB TRP 25 9.292 -1.538 1.008 302 2HB TRP 25 3HB TRP 25 10.299 -0.787 -0.228 303 HD1 TRP 25 HD1 TRP 25 12.892 -1.130 -0.031 304 HE1 TRP 25 HE1 TRP 25 14.469 -2.343 1.536 305 HE3 TRP 25 HE3 TRP 25 9.511 -2.592 3.509 306 HZ2 TRP 25 HZ2 TRP 25 14.303 -3.803 4.039 307 HZ3 TRP 25 HZ3 TRP 25 10.235 -3.909 5.465 308 HH2 TRP 25 HH2 TRP 25 12.631 -4.534 5.740 309 QB TRP 25 QB TRP 25 9.796 -1.162 0.390 310 H LYS 26 HN LYS 26 10.006 2.056 -0.477 311 HA LYS 26 HA LYS 26 12.713 2.818 -0.457 312 1HB LYS 26 2HB LYS 26 10.901 3.171 -2.259 313 2HB LYS 26 3HB LYS 26 10.395 4.577 -1.328 314 1HG LYS 26 2HG LYS 26 11.822 5.551 -2.899 315 2HG LYS 26 3HG LYS 26 12.908 5.327 -1.536 316 1HD LYS 26 2HD LYS 26 14.176 4.500 -3.310 317 2HD LYS 26 3HD LYS 26 13.479 3.022 -2.643 318 1HE LYS 26 2HE LYS 26 11.528 3.724 -4.487 319 2HE LYS 26 3HE LYS 26 12.941 4.463 -5.240 320 1HZ LYS 26 3HZ LYS 26 13.997 2.289 -5.199 321 2HZ LYS 26 1HZ LYS 26 12.663 1.625 -4.493 322 3HZ LYS 26 2HZ LYS 26 12.572 2.240 -6.013 323 QB LYS 26 QB LYS 26 10.648 3.874 -1.793 324 QG LYS 26 QG LYS 26 12.365 5.439 -2.218 325 QD LYS 26 QD LYS 26 13.827 3.761 -2.977 326 QE LYS 26 QE LYS 26 12.235 4.094 -4.864 327 QZ LYS 26 QZ LYS 26 13.077 2.051 -5.235 328 H ALA 27 HN ALA 27 10.070 3.881 1.598 329 HA ALA 27 HA ALA 27 11.801 5.887 2.978 330 1HB ALA 27 1HB ALA 27 9.712 6.810 2.062 331 2HB ALA 27 2HB ALA 27 8.775 5.566 2.920 332 3HB ALA 27 3HB ALA 27 9.678 6.789 3.837 333 QB ALA 27 QB ALA 27 9.388 6.388 2.940 334 H LYS 28 HN LYS 28 10.334 2.791 3.181 335 HA LYS 28 HA LYS 28 9.820 1.326 4.693 336 1HB LYS 28 2HB LYS 28 12.126 2.531 6.258 337 2HB LYS 28 3HB LYS 28 11.162 1.164 6.817 338 1HG LYS 28 2HG LYS 28 11.800 0.103 4.464 339 2HG LYS 28 3HG LYS 28 13.136 1.251 4.572 340 1HD LYS 28 2HD LYS 28 13.041 0.170 7.163 341 2HD LYS 28 3HD LYS 28 12.517 -1.203 6.178 342 1HE LYS 28 2HE LYS 28 14.643 -1.052 4.888 343 2HE LYS 28 3HE LYS 28 15.089 0.409 5.791 344 1HZ LYS 28 3HZ LYS 28 15.113 -0.898 7.803 345 2HZ LYS 28 1HZ LYS 28 14.744 -2.268 6.969 346 3HZ LYS 28 2HZ LYS 28 16.173 -1.497 6.704 347 QB LYS 28 QB LYS 28 11.644 1.847 6.537 348 QG LYS 28 QG LYS 28 12.468 0.677 4.518 349 QD LYS 28 QD LYS 28 12.779 -0.516 6.670 350 QE LYS 28 QE LYS 28 14.866 -0.321 5.339 351 QZ LYS 28 QZ LYS 28 15.344 -1.554 7.159 352 H GLN 29 HN GLN 29 7.836 3.017 4.652 353 HA GLN 29 HA GLN 29 6.896 2.851 7.382 354 1HB GLN 29 2HB GLN 29 8.107 4.995 7.498 355 2HB GLN 29 3HB GLN 29 7.197 5.613 6.110 356 1HG GLN 29 2HG GLN 29 5.157 5.691 7.396 357 2HG GLN 29 3HG GLN 29 5.848 4.665 8.675 358 1HE2 GLN 29 2HE2 GLN 29 7.226 8.549 8.539 359 2HE2 GLN 29 1HE2 GLN 29 7.024 7.680 7.028 360 QB GLN 29 QB GLN 29 7.652 5.304 6.804 361 QG GLN 29 QG GLN 29 5.502 5.178 8.036 362 QE2 GLN 29 QE2 GLN 29 7.125 8.115 7.783 363 H CYS 30 HN CYS 30 4.590 3.368 7.568 364 HA CYS 30 HA CYS 30 3.122 2.510 5.188 365 1HB CYS 30 2HB CYS 30 2.355 3.079 8.033 366 2HB CYS 30 3HB CYS 30 1.192 2.554 6.813 367 QB CYS 30 QB CYS 30 1.773 2.816 7.423 368 H LEU 31 HN LEU 31 1.854 3.807 3.954 369 HA LEU 31 HA LEU 31 1.659 6.706 4.641 370 1HB LEU 31 2HB LEU 31 2.757 5.483 2.089 371 2HB LEU 31 3HB LEU 31 2.433 7.199 2.324 372 HG LEU 31 HG LEU 31 4.581 5.536 3.686 373 1HD1 LEU 31 3HD1 LEU 31 4.859 6.262 1.288 374 2HD1 LEU 31 1HD1 LEU 31 4.739 7.945 1.817 375 3HD1 LEU 31 2HD1 LEU 31 6.091 6.939 2.383 376 1HD2 LEU 31 3HD2 LEU 31 3.948 8.506 4.058 377 2HD2 LEU 31 1HD2 LEU 31 3.831 7.265 5.318 378 3HD2 LEU 31 2HD2 LEU 31 5.406 7.673 4.641 379 QB LEU 31 QB LEU 31 2.595 6.341 2.207 380 QD1 LEU 31 QD1 LEU 31 5.230 7.049 1.829 381 QD2 LEU 31 QD2 LEU 31 4.395 7.814 4.672 382 QQD LEU 31 QQD LEU 31 4.812 7.432 3.251 383 HA PRO 32 HA PRO 32 -2.364 6.165 2.673 384 1HB PRO 32 2HB PRO 32 -2.924 8.863 2.171 385 2HB PRO 32 3HB PRO 32 -3.201 8.057 3.717 386 1HG PRO 32 2HG PRO 32 -0.959 9.869 2.894 387 2HG PRO 32 3HG PRO 32 -1.696 9.676 4.509 388 1HD PRO 32 2HD PRO 32 0.736 8.595 3.715 389 2HD PRO 32 3HD PRO 32 -0.267 7.932 5.038 390 QB PRO 32 QB PRO 32 -3.062 8.460 2.944 391 QG PRO 32 QG PRO 32 -1.327 9.772 3.701 392 QD PRO 32 QD PRO 32 0.235 8.264 4.377 393 H PHE 33 HN PHE 33 -3.233 6.142 0.557 394 HA PHE 33 HA PHE 33 -2.346 7.971 -1.464 395 1HB PHE 33 2HB PHE 33 -1.244 6.494 -2.951 396 2HB PHE 33 3HB PHE 33 -0.429 6.266 -1.425 397 HD1 PHE 33 2HD PHE 33 -1.396 4.260 0.108 398 HD2 PHE 33 1HD PHE 33 -2.401 4.768 -3.999 399 HE1 PHE 33 2HE PHE 33 -1.964 1.844 -0.076 400 HE2 PHE 33 1HE PHE 33 -2.752 2.333 -4.257 401 HZ PHE 33 HZ PHE 33 -2.515 0.859 -2.215 402 QB PHE 33 QB PHE 33 -0.837 6.380 -2.188 403 QR PHE 33 QR PHE 33 -2.128 3.301 -2.056 404 H ASP 34 HN ASP 34 -3.364 6.985 -3.734 405 HA ASP 34 HA ASP 34 -6.119 6.017 -3.111 406 1HB ASP 34 2HB ASP 34 -4.935 7.832 -5.254 407 2HB ASP 34 3HB ASP 34 -6.466 6.986 -5.471 408 QB ASP 34 QB ASP 34 -5.701 7.409 -5.362 409 OH TYR 35 OH TYR 35 -5.161 -3.578 -6.918 410 H TYR 35 HN TYR 35 -6.148 3.842 -3.528 411 HA TYR 35 HA TYR 35 -4.466 2.636 -5.576 412 1HB TYR 35 2HB TYR 35 -5.092 1.452 -3.453 413 2HB TYR 35 3HB TYR 35 -6.783 1.536 -3.921 414 HD1 TYR 35 HD1 TYR 35 -3.834 0.639 -6.068 415 HD2 TYR 35 HD2 TYR 35 -7.322 -0.807 -4.032 416 HE1 TYR 35 HE1 TYR 35 -3.608 -1.486 -7.254 417 HE2 TYR 35 HE2 TYR 35 -6.914 -3.069 -5.022 418 HH TYR 35 HH TYR 35 -4.676 -3.411 -7.735 419 QB TYR 35 QB TYR 35 -5.937 1.494 -3.687 420 QR TYR 35 QR TYR 35 -5.420 -1.181 -5.594 421 H SER 36 HN SER 36 -5.301 1.477 -7.435 422 HA SER 36 HA SER 36 -7.589 2.764 -8.711 423 1HB SER 36 2HB SER 36 -7.043 1.432 -10.574 424 2HB SER 36 3HB SER 36 -5.533 2.109 -9.960 425 HG SER 36 HG SER 36 -4.894 0.143 -9.305 426 QB SER 36 QB SER 36 -6.288 1.771 -10.267 427 H GLY 37 HN GLY 37 -6.704 -0.546 -7.829 428 1HA GLY 37 1HA GLY 37 -8.627 -1.858 -6.546 429 2HA GLY 37 2HA GLY 37 -9.530 -1.413 -7.993 430 QA GLY 37 QA GLY 37 -9.079 -1.636 -7.270 431 H CYS 38 HN CYS 38 -6.710 -1.575 -9.455 432 HA CYS 38 HA CYS 38 -6.903 -4.514 -10.038 433 1HB CYS 38 2HB CYS 38 -6.225 -2.261 -11.913 434 2HB CYS 38 3HB CYS 38 -6.571 -3.915 -12.374 435 QB CYS 38 QB CYS 38 -6.398 -3.088 -12.143 436 H GLY 39 HN GLY 39 -4.890 -5.197 -11.261 437 1HA GLY 39 1HA GLY 39 -2.655 -5.754 -10.980 438 2HA GLY 39 2HA GLY 39 -2.533 -4.176 -11.754 439 QA GLY 39 QA GLY 39 -2.594 -4.965 -11.367 440 H GLY 40 HN GLY 40 -3.325 -5.152 -8.387 441 1HA GLY 40 1HA GLY 40 -1.485 -3.089 -7.341 442 2HA GLY 40 2HA GLY 40 -2.657 -3.972 -6.424 443 QA GLY 40 QA GLY 40 -2.071 -3.531 -6.883 444 H ASN 41 HN ASN 41 -1.360 -4.801 -4.845 445 HA ASN 41 HA ASN 41 -0.024 -7.269 -5.394 446 1HB ASN 41 2HB ASN 41 2.044 -6.543 -4.275 447 2HB ASN 41 3HB ASN 41 1.851 -5.761 -5.833 448 1HD2 ASN 41 2HD2 ASN 41 2.754 -2.774 -4.111 449 2HD2 ASN 41 1HD2 ASN 41 3.135 -4.019 -5.292 450 QB ASN 41 QB ASN 41 1.947 -6.152 -5.054 451 QD2 ASN 41 QD2 ASN 41 2.944 -3.397 -4.701 452 H ALA 42 HN ALA 42 1.113 -7.634 -2.899 453 HA ALA 42 HA ALA 42 -1.295 -7.578 -1.153 454 1HB ALA 42 1HB ALA 42 -0.046 -9.685 -1.475 455 2HB ALA 42 2HB ALA 42 1.426 -8.916 -0.854 456 3HB ALA 42 3HB ALA 42 0.029 -9.156 0.216 457 QB ALA 42 QB ALA 42 0.470 -9.252 -0.705 458 H ASN 43 HN ASN 43 0.501 -5.091 -1.722 459 HA ASN 43 HA ASN 43 1.144 -4.464 1.121 460 1HB ASN 43 2HB ASN 43 2.936 -4.325 -0.747 461 2HB ASN 43 3HB ASN 43 2.061 -2.900 -1.322 462 1HD2 ASN 43 2HD2 ASN 43 4.640 -1.495 0.824 463 2HD2 ASN 43 1HD2 ASN 43 4.561 -2.305 -0.689 464 QB ASN 43 QB ASN 43 2.498 -3.613 -1.034 465 QD2 ASN 43 QD2 ASN 43 4.600 -1.900 0.067 466 NH1 ARG 44 NH2 ARG 44 -2.167 -0.340 -4.365 467 NH2 ARG 44 NH1 ARG 44 -0.827 -2.173 -4.369 468 H ARG 44 HN ARG 44 -1.336 -4.413 1.251 469 HA ARG 44 HA ARG 44 -2.163 -1.622 0.871 470 1HB ARG 44 2HB ARG 44 -2.701 -3.419 -1.137 471 2HB ARG 44 3HB ARG 44 -4.211 -3.462 -0.244 472 1HG ARG 44 2HG ARG 44 -4.632 -1.157 -0.527 473 2HG ARG 44 3HG ARG 44 -2.946 -0.787 -0.914 474 1HD ARG 44 2HD ARG 44 -4.891 -2.279 -2.704 475 2HD ARG 44 3HD ARG 44 -4.285 -0.665 -2.894 476 HE ARG 44 HE ARG 44 -2.713 -3.232 -3.084 477 1HH1 ARG 44 2HH2 ARG 44 -3.015 0.135 -4.110 478 2HH1 ARG 44 1HH2 ARG 44 -1.542 0.071 -5.054 479 1HH2 ARG 44 2HH1 ARG 44 -0.411 -2.942 -3.842 480 2HH2 ARG 44 1HH1 ARG 44 -0.280 -1.671 -5.059 481 QB ARG 44 QB ARG 44 -3.456 -3.441 -0.690 482 QG ARG 44 QG ARG 44 -3.789 -0.972 -0.721 483 QD ARG 44 QD ARG 44 -4.588 -1.472 -2.799 484 QH1 ARG 44 QH2 ARG 44 -2.279 0.103 -4.582 485 QH2 ARG 44 QH1 ARG 44 -0.345 -2.307 -4.451 486 H PHE 45 HN PHE 45 -3.392 -0.935 2.419 487 HA PHE 45 HA PHE 45 -4.919 -2.754 4.237 488 1HB PHE 45 2HB PHE 45 -2.962 -0.559 4.977 489 2HB PHE 45 3HB PHE 45 -3.908 -1.530 6.086 490 HD1 PHE 45 1HD PHE 45 -1.023 -1.544 3.738 491 HD2 PHE 45 2HD PHE 45 -3.281 -3.882 6.585 492 HE1 PHE 45 1HE PHE 45 0.748 -3.275 3.730 493 HE2 PHE 45 2HE PHE 45 -1.474 -5.562 6.628 494 HZ PHE 45 HZ PHE 45 0.481 -5.315 5.137 495 QB PHE 45 QB PHE 45 -3.435 -1.045 5.532 496 QR PHE 45 QR PHE 45 -1.258 -3.566 5.170 497 H LYS 46 HN LYS 46 -6.803 -1.845 4.942 498 HA LYS 46 HA LYS 46 -7.785 0.548 3.610 499 1HB LYS 46 2HB LYS 46 -8.900 -1.121 5.894 500 2HB LYS 46 3HB LYS 46 -9.762 0.217 5.132 501 1HG LYS 46 2HG LYS 46 -8.742 -2.194 3.572 502 2HG LYS 46 3HG LYS 46 -10.310 -2.205 4.350 503 1HD LYS 46 2HD LYS 46 -9.695 0.101 2.459 504 2HD LYS 46 3HD LYS 46 -9.923 -1.505 1.783 505 1HE LYS 46 2HE LYS 46 -12.049 -0.418 1.709 506 2HE LYS 46 3HE LYS 46 -12.126 -1.725 2.888 507 1HZ LYS 46 2HZ LYS 46 -11.723 0.009 4.600 508 2HZ LYS 46 3HZ LYS 46 -11.929 1.159 3.436 509 3HZ LYS 46 1HZ LYS 46 -13.163 0.140 3.814 510 QB LYS 46 QB LYS 46 -9.331 -0.452 5.513 511 QG LYS 46 QG LYS 46 -9.526 -2.199 3.961 512 QD LYS 46 QD LYS 46 -9.809 -0.702 2.121 513 QE LYS 46 QE LYS 46 -12.088 -1.072 2.298 514 QZ LYS 46 QZ LYS 46 -12.272 0.436 3.950 515 H THR 47 HN THR 47 -5.961 -0.069 6.530 516 HA THR 47 HA THR 47 -6.257 2.795 7.314 517 HB THR 47 HB THR 47 -6.241 2.124 9.644 518 HG1 THR 47 1HG THR 47 -6.622 -0.147 10.062 519 1HG2 THR 47 1HG2 THR 47 -8.435 2.444 8.496 520 2HG2 THR 47 2HG2 THR 47 -8.501 0.693 8.183 521 3HG2 THR 47 3HG2 THR 47 -8.506 1.301 9.848 522 QG2 THR 47 QG2 THR 47 -8.481 1.479 8.843 523 H ILE 48 HN ILE 48 -4.459 3.753 8.181 524 HA ILE 48 HA ILE 48 -1.867 2.682 7.497 525 HB ILE 48 HB ILE 48 -2.764 5.166 7.903 526 1HG1 ILE 48 2HG1 ILE 48 -0.410 4.386 7.211 527 2HG1 ILE 48 3HG1 ILE 48 -0.746 6.041 7.717 528 1HG2 ILE 48 2HG2 ILE 48 -3.470 4.877 10.197 529 2HG2 ILE 48 3HG2 ILE 48 -1.796 4.587 10.704 530 3HG2 ILE 48 1HG2 ILE 48 -2.256 6.156 10.022 531 1HD1 ILE 48 2HD1 ILE 48 0.332 3.925 9.583 532 2HD1 ILE 48 3HD1 ILE 48 1.313 5.129 8.706 533 3HD1 ILE 48 1HD1 ILE 48 0.134 5.670 9.911 534 QG1 ILE 48 QG1 ILE 48 -0.578 5.213 7.464 535 QG2 ILE 48 QG2 ILE 48 -2.507 5.207 10.308 536 QD1 ILE 48 QD1 ILE 48 0.593 4.908 9.400 537 H GLU 49 HN GLU 49 -3.875 2.581 10.440 538 HA GLU 49 HA GLU 49 -1.710 1.687 12.052 539 1HB GLU 49 2HB GLU 49 -3.423 1.150 13.713 540 2HB GLU 49 3HB GLU 49 -3.753 2.713 12.957 541 1HG GLU 49 2HG GLU 49 -5.210 1.009 11.340 542 2HG GLU 49 3HG GLU 49 -5.336 0.193 12.894 543 QB GLU 49 QB GLU 49 -3.588 1.931 13.335 544 QG GLU 49 QG GLU 49 -5.273 0.601 12.117 545 H GLU 50 HN GLU 50 -4.094 -0.171 10.040 546 HA GLU 50 HA GLU 50 -3.225 -2.682 11.054 547 1HB GLU 50 2HB GLU 50 -5.227 -2.111 9.477 548 2HB GLU 50 3HB GLU 50 -4.056 -2.292 8.172 549 1HG GLU 50 2HG GLU 50 -5.171 -4.404 8.459 550 2HG GLU 50 3HG GLU 50 -3.575 -4.636 9.193 551 QB GLU 50 QB GLU 50 -4.642 -2.201 8.825 552 QG GLU 50 QG GLU 50 -4.373 -4.520 8.826 553 H CYS 51 HN CYS 51 -2.140 -0.797 8.180 554 HA CYS 51 HA CYS 51 -0.002 -2.442 7.377 555 1HB CYS 51 2HB CYS 51 -0.799 -0.488 6.089 556 2HB CYS 51 3HB CYS 51 -0.166 0.603 7.307 557 QB CYS 51 QB CYS 51 -0.482 0.058 6.698 558 NH1 ARG 52 NH2 ARG 52 3.324 4.051 14.624 559 NH2 ARG 52 NH1 ARG 52 1.188 4.943 14.756 560 H ARG 52 HN ARG 52 0.105 0.320 9.694 561 HA ARG 52 HA ARG 52 2.898 -0.040 10.192 562 1HB ARG 52 2HB ARG 52 1.397 1.987 10.472 563 2HB ARG 52 3HB ARG 52 0.961 1.354 12.067 564 1HG ARG 52 2HG ARG 52 3.269 1.578 12.803 565 2HG ARG 52 3HG ARG 52 3.848 1.723 11.133 566 1HD ARG 52 2HD ARG 52 3.937 3.934 12.061 567 2HD ARG 52 3HD ARG 52 2.700 3.861 10.834 568 HE ARG 52 HE ARG 52 1.011 4.146 12.373 569 1HH1 ARG 52 2HH2 ARG 52 4.010 3.528 14.098 570 2HH1 ARG 52 1HH2 ARG 52 3.534 4.306 15.577 571 1HH2 ARG 52 2HH1 ARG 52 0.297 5.160 14.331 572 2HH2 ARG 52 1HH1 ARG 52 1.335 5.213 15.718 573 QB ARG 52 QB ARG 52 1.179 1.671 11.270 574 QG ARG 52 QG ARG 52 3.559 1.651 11.968 575 QD ARG 52 QD ARG 52 3.319 3.898 11.447 576 QH1 ARG 52 QH2 ARG 52 3.772 3.917 14.838 577 QH2 ARG 52 QH1 ARG 52 0.816 5.186 15.024 578 NH1 ARG 53 NH2 ARG 53 0.361 -1.885 18.999 579 NH2 ARG 53 NH1 ARG 53 2.408 -2.955 18.928 580 H ARG 53 HN ARG 53 0.045 -1.433 11.830 581 HA ARG 53 HA ARG 53 1.636 -2.580 13.959 582 1HB ARG 53 2HB ARG 53 -0.987 -2.110 13.801 583 2HB ARG 53 3HB ARG 53 -1.023 -3.722 13.084 584 1HG ARG 53 2HG ARG 53 -1.353 -4.052 15.405 585 2HG ARG 53 3HG ARG 53 0.355 -4.441 15.179 586 1HD ARG 53 2HD ARG 53 0.262 -1.615 15.652 587 2HD ARG 53 3HD ARG 53 -0.939 -2.320 16.739 588 HE ARG 53 HE ARG 53 1.950 -3.256 16.569 589 1HH1 ARG 53 2HH2 ARG 53 -0.454 -1.546 18.517 590 2HH1 ARG 53 1HH2 ARG 53 0.500 -1.640 19.966 591 1HH2 ARG 53 2HH1 ARG 53 3.122 -3.328 18.289 592 2HH2 ARG 53 1HH1 ARG 53 2.648 -2.733 19.878 593 QB ARG 53 QB ARG 53 -1.005 -2.916 13.443 594 QG ARG 53 QG ARG 53 -0.499 -4.247 15.292 595 QD ARG 53 QD ARG 53 -0.338 -1.967 16.195 596 QH1 ARG 53 QH2 ARG 53 0.023 -1.593 19.241 597 QH2 ARG 53 QH1 ARG 53 2.885 -3.031 19.083 598 H THR 54 HN THR 54 0.760 -3.578 10.671 599 HA THR 54 HA THR 54 1.485 -6.350 10.984 600 HB THR 54 HB THR 54 0.996 -4.476 8.647 601 HG1 THR 54 1HG THR 54 -0.278 -6.649 9.887 602 1HG2 THR 54 1HG2 THR 54 1.917 -7.365 8.397 603 2HG2 THR 54 2HG2 THR 54 1.164 -6.371 7.131 604 3HG2 THR 54 3HG2 THR 54 2.738 -5.912 7.771 605 QG2 THR 54 QG2 THR 54 1.940 -6.549 7.766 606 H CYS 55 HN CYS 55 3.255 -3.496 9.709 607 HA CYS 55 HA CYS 55 5.684 -5.271 9.499 608 1HB CYS 55 2HB CYS 55 5.009 -2.663 8.178 609 2HB CYS 55 3HB CYS 55 6.641 -3.353 8.212 610 QB CYS 55 QB CYS 55 5.825 -3.008 8.195 611 H VAL 56 HN VAL 56 4.618 -2.361 11.217 612 HA VAL 56 HA VAL 56 7.329 -1.986 12.370 613 HB VAL 56 HB VAL 56 4.944 -0.080 12.489 614 1HG1 VAL 56 3HG1 VAL 56 7.912 0.231 13.092 615 2HG1 VAL 56 1HG1 VAL 56 6.850 1.611 12.771 616 3HG1 VAL 56 2HG1 VAL 56 6.526 0.598 14.159 617 1HG2 VAL 56 2HG2 VAL 56 7.175 -0.215 10.447 618 2HG2 VAL 56 3HG2 VAL 56 5.407 -0.319 10.187 619 3HG2 VAL 56 1HG2 VAL 56 6.131 1.201 10.691 620 QG1 VAL 56 QG1 VAL 56 7.096 0.813 13.341 621 QG2 VAL 56 QG2 VAL 56 6.238 0.222 10.442 622 QQG VAL 56 QQG VAL 56 6.667 0.518 11.891 623 H GLY 57 HN GLY 57 6.740 -1.124 14.879 624 1HA GLY 57 1HA GLY 57 6.144 -3.443 16.306 625 2HA GLY 57 2HA GLY 57 6.101 -1.793 16.955 626 QA GLY 57 QA GLY 57 6.123 -2.618 16.630 Start of MODEL 18 Raw file had 626 H/Q atoms Start of MODEL 18 1 H ALA 1 HN ALA 1 8.199 -7.678 10.811 2 HA ALA 1 HA ALA 1 6.701 -6.446 8.631 3 1HB ALA 1 2HB ALA 1 8.930 -5.525 8.851 4 2HB ALA 1 3HB ALA 1 9.609 -7.145 8.537 5 3HB ALA 1 1HB ALA 1 8.631 -6.316 7.297 6 QB ALA 1 QB ALA 1 9.057 -6.329 8.228 7 H ALA 2 HN ALA 2 6.189 -7.386 6.779 8 HA ALA 2 HA ALA 2 6.221 -10.363 6.686 9 1HB ALA 2 1HB ALA 2 3.941 -9.423 7.063 10 2HB ALA 2 2HB ALA 2 4.146 -8.378 5.640 11 3HB ALA 2 3HB ALA 2 4.102 -10.145 5.449 12 QB ALA 2 QB ALA 2 4.063 -9.315 6.051 13 H LYS 3 HN LYS 3 6.616 -11.187 4.599 14 HA LYS 3 HA LYS 3 8.710 -10.095 3.252 15 1HB LYS 3 2HB LYS 3 7.161 -12.418 3.055 16 2HB LYS 3 3HB LYS 3 6.936 -11.700 1.469 17 1HG LYS 3 2HG LYS 3 9.606 -12.330 2.806 18 2HG LYS 3 3HG LYS 3 8.759 -13.339 1.625 19 1HD LYS 3 2HD LYS 3 8.942 -11.484 -0.072 20 2HD LYS 3 3HD LYS 3 9.805 -10.509 1.116 21 1HE LYS 3 2HE LYS 3 11.454 -11.477 -0.333 22 2HE LYS 3 3HE LYS 3 11.607 -12.246 1.249 23 1HZ LYS 3 2HZ LYS 3 10.252 -13.403 -1.107 24 2HZ LYS 3 3HZ LYS 3 11.731 -13.831 -0.539 25 3HZ LYS 3 1HZ LYS 3 10.396 -14.140 0.358 26 QB LYS 3 QB LYS 3 7.048 -12.059 2.262 27 QG LYS 3 QG LYS 3 9.183 -12.834 2.216 28 QD LYS 3 QD LYS 3 9.374 -10.997 0.522 29 QE LYS 3 QE LYS 3 11.531 -11.862 0.458 30 QZ LYS 3 QZ LYS 3 10.793 -13.791 -0.429 31 OH TYR 4 OH TYR 4 0.182 -7.816 5.025 32 H TYR 4 HN TYR 4 5.268 -9.789 2.265 33 HA TYR 4 HA TYR 4 5.753 -8.412 -0.129 34 1HB TYR 4 2HB TYR 4 3.427 -7.885 -0.059 35 2HB TYR 4 3HB TYR 4 3.700 -9.569 0.397 36 HD1 TYR 4 HD2 TYR 4 2.614 -6.218 1.541 37 HD2 TYR 4 HD1 TYR 4 3.055 -10.376 2.605 38 HE1 TYR 4 HE2 TYR 4 0.938 -5.947 3.331 39 HE2 TYR 4 HE1 TYR 4 1.459 -10.068 4.463 40 HH TYR 4 HH TYR 4 -0.061 -8.639 5.455 41 QB TYR 4 QB TYR 4 3.563 -8.727 0.169 42 QR TYR 4 QR TYR 4 2.016 -8.152 2.985 43 H CYS 5 HN CYS 5 6.008 -7.200 3.104 44 HA CYS 5 HA CYS 5 5.087 -4.539 2.758 45 1HB CYS 5 2HB CYS 5 5.719 -5.647 4.915 46 2HB CYS 5 3HB CYS 5 7.420 -5.386 4.505 47 QB CYS 5 QB CYS 5 6.569 -5.517 4.710 48 H LYS 6 HN LYS 6 7.972 -6.091 1.674 49 HA LYS 6 HA LYS 6 9.582 -3.783 1.000 50 1HB LYS 6 2HB LYS 6 9.489 -6.678 0.054 51 2HB LYS 6 3HB LYS 6 10.523 -5.500 -0.740 52 1HG LYS 6 2HG LYS 6 11.752 -6.821 0.822 53 2HG LYS 6 3HG LYS 6 11.819 -5.091 1.215 54 1HD LYS 6 2HD LYS 6 10.543 -5.332 3.154 55 2HD LYS 6 3HD LYS 6 9.706 -6.759 2.554 56 1HE LYS 6 2HE LYS 6 11.181 -7.361 4.406 57 2HE LYS 6 3HE LYS 6 11.571 -8.210 2.906 58 1HZ LYS 6 1HZ LYS 6 13.379 -6.653 2.570 59 2HZ LYS 6 2HZ LYS 6 13.011 -5.878 3.976 60 3HZ LYS 6 3HZ LYS 6 13.538 -7.434 4.008 61 QB LYS 6 QB LYS 6 10.006 -6.089 -0.343 62 QG LYS 6 QG LYS 6 11.785 -5.956 1.018 63 QD LYS 6 QD LYS 6 10.125 -6.045 2.854 64 QE LYS 6 QE LYS 6 11.376 -7.786 3.656 65 QZ LYS 6 QZ LYS 6 13.309 -6.655 3.518 66 H LEU 7 HN LEU 7 6.778 -5.251 -0.646 67 HA LEU 7 HA LEU 7 7.665 -4.705 -3.258 68 1HB LEU 7 2HB LEU 7 4.869 -5.005 -2.123 69 2HB LEU 7 3HB LEU 7 5.235 -4.984 -3.846 70 HG LEU 7 HG LEU 7 6.461 -7.036 -1.975 71 1HD1 LEU 7 2HD1 LEU 7 3.902 -7.090 -2.070 72 2HD1 LEU 7 3HD1 LEU 7 4.065 -7.444 -3.797 73 3HD1 LEU 7 1HD1 LEU 7 4.732 -8.568 -2.603 74 1HD2 LEU 7 1HD2 LEU 7 6.083 -6.891 -5.006 75 2HD2 LEU 7 2HD2 LEU 7 7.631 -6.757 -4.145 76 3HD2 LEU 7 3HD2 LEU 7 6.734 -8.283 -4.120 77 QB LEU 7 QB LEU 7 5.052 -4.994 -2.984 78 QD1 LEU 7 QD1 LEU 7 4.233 -7.701 -2.824 79 QD2 LEU 7 QD2 LEU 7 6.816 -7.310 -4.424 80 QQD LEU 7 QQD LEU 7 5.525 -7.506 -3.624 81 HA PRO 8 HA PRO 8 7.388 -0.389 -3.381 82 1HB PRO 8 2HB PRO 8 7.401 0.200 -6.051 83 2HB PRO 8 3HB PRO 8 8.750 -0.669 -5.269 84 1HG PRO 8 2HG PRO 8 6.398 -1.875 -6.760 85 2HG PRO 8 3HG PRO 8 8.138 -2.189 -7.037 86 1HD PRO 8 2HD PRO 8 6.594 -3.807 -5.474 87 2HD PRO 8 3HD PRO 8 8.307 -3.464 -5.051 88 QB PRO 8 QB PRO 8 8.076 -0.235 -5.660 89 QG PRO 8 QG PRO 8 7.268 -2.032 -6.899 90 QD PRO 8 QD PRO 8 7.451 -3.636 -5.263 91 H LEU 9 HN LEU 9 6.199 1.510 -4.525 92 HA LEU 9 HA LEU 9 3.402 1.374 -4.049 93 1HB LEU 9 2HB LEU 9 4.714 3.459 -4.007 94 2HB LEU 9 3HB LEU 9 4.990 3.345 -5.747 95 HG LEU 9 HG LEU 9 2.594 3.695 -6.168 96 1HD1 LEU 9 1HD1 LEU 9 2.342 3.594 -3.131 97 2HD1 LEU 9 2HD1 LEU 9 1.146 4.390 -4.124 98 3HD1 LEU 9 3HD1 LEU 9 1.425 2.660 -4.321 99 1HD2 LEU 9 1HD2 LEU 9 4.104 5.643 -5.847 100 2HD2 LEU 9 2HD2 LEU 9 2.445 6.005 -5.337 101 3HD2 LEU 9 3HD2 LEU 9 3.690 5.672 -4.118 102 QB LEU 9 QB LEU 9 4.852 3.402 -4.877 103 QD1 LEU 9 QD1 LEU 9 1.637 3.548 -3.858 104 QD2 LEU 9 QD2 LEU 9 3.413 5.773 -5.101 105 QQD LEU 9 QQD LEU 9 2.525 4.661 -4.479 106 NH1 ARG 10 NH2 ARG 10 4.000 -1.843 -11.412 107 NH2 ARG 10 NH1 ARG 10 5.450 -0.717 -9.988 108 H ARG 10 HN ARG 10 1.718 0.993 -5.398 109 HA ARG 10 HA ARG 10 2.157 0.088 -8.146 110 1HB ARG 10 2HB ARG 10 2.957 -1.682 -6.473 111 2HB ARG 10 3HB ARG 10 1.318 -1.779 -5.866 112 1HG ARG 10 2HG ARG 10 1.955 -3.577 -7.499 113 2HG ARG 10 3HG ARG 10 0.522 -2.680 -7.935 114 1HD ARG 10 2HD ARG 10 2.217 -3.254 -9.778 115 2HD ARG 10 3HD ARG 10 1.550 -1.617 -9.748 116 HE ARG 10 HE ARG 10 3.860 -1.409 -8.224 117 1HH1 ARG 10 2HH2 ARG 10 3.157 -2.382 -11.539 118 2HH1 ARG 10 1HH2 ARG 10 4.563 -1.628 -12.222 119 1HH2 ARG 10 2HH1 ARG 10 5.643 -0.334 -9.070 120 2HH2 ARG 10 1HH1 ARG 10 6.072 -0.487 -10.749 121 QB ARG 10 QB ARG 10 2.138 -1.730 -6.170 122 QG ARG 10 QG ARG 10 1.239 -3.128 -7.717 123 QD ARG 10 QD ARG 10 1.884 -2.436 -9.763 124 QH1 ARG 10 QH2 ARG 10 3.860 -2.005 -11.881 125 QH2 ARG 10 QH1 ARG 10 5.858 -0.410 -9.910 126 H ILE 11 HN ILE 11 0.777 1.856 -8.425 127 HA ILE 11 HA ILE 11 -1.772 2.002 -7.135 128 HB ILE 11 HB ILE 11 -0.858 3.379 -9.710 129 1HG1 ILE 11 2HG1 ILE 11 0.866 3.940 -8.128 130 2HG1 ILE 11 3HG1 ILE 11 -0.298 5.274 -8.078 131 1HG2 ILE 11 3HG2 ILE 11 -3.025 3.896 -7.652 132 2HG2 ILE 11 1HG2 ILE 11 -2.431 5.171 -8.732 133 3HG2 ILE 11 2HG2 ILE 11 -3.183 3.711 -9.400 134 1HD1 ILE 11 3HD1 ILE 11 -1.432 4.219 -6.190 135 2HD1 ILE 11 1HD1 ILE 11 -0.010 3.169 -5.999 136 3HD1 ILE 11 2HD1 ILE 11 0.150 4.952 -5.914 137 QG1 ILE 11 QG1 ILE 11 0.284 4.607 -8.103 138 QG2 ILE 11 QG2 ILE 11 -2.880 4.260 -8.594 139 QD1 ILE 11 QD1 ILE 11 -0.431 4.113 -6.034 140 H GLY 12 HN GLY 12 -0.661 0.763 -10.250 141 1HA GLY 12 1HA GLY 12 -1.610 -0.907 -11.518 142 2HA GLY 12 2HA GLY 12 -3.112 -0.814 -10.593 143 QA GLY 12 QA GLY 12 -2.361 -0.860 -11.055 144 HA PRO 13 HA PRO 13 -3.116 2.124 -14.390 145 1HB PRO 13 2HB PRO 13 -3.319 0.701 -16.671 146 2HB PRO 13 3HB PRO 13 -1.789 0.728 -15.759 147 1HG PRO 13 2HG PRO 13 -3.971 -1.383 -15.591 148 2HG PRO 13 3HG PRO 13 -2.236 -1.643 -15.941 149 1HD PRO 13 2HD PRO 13 -3.270 -1.851 -13.399 150 2HD PRO 13 3HD PRO 13 -1.626 -1.216 -13.720 151 QB PRO 13 QB PRO 13 -2.554 0.714 -16.215 152 QG PRO 13 QG PRO 13 -3.104 -1.513 -15.766 153 QD PRO 13 QD PRO 13 -2.448 -1.534 -13.559 154 H CYS 14 HN CYS 14 -5.347 1.022 -12.628 155 HA CYS 14 HA CYS 14 -7.479 0.373 -14.538 156 1HB CYS 14 2HB CYS 14 -6.937 -0.340 -11.948 157 2HB CYS 14 3HB CYS 14 -8.297 0.780 -11.744 158 QB CYS 14 QB CYS 14 -7.617 0.220 -11.846 159 H LYS 15 HN LYS 15 -9.701 1.442 -13.961 160 HA LYS 15 HA LYS 15 -9.330 4.392 -14.355 161 1HB LYS 15 2HB LYS 15 -11.529 2.522 -15.308 162 2HB LYS 15 3HB LYS 15 -11.435 4.255 -15.629 163 1HG LYS 15 2HG LYS 15 -9.445 2.158 -16.620 164 2HG LYS 15 3HG LYS 15 -10.755 2.913 -17.535 165 1HD LYS 15 2HD LYS 15 -9.608 5.194 -16.947 166 2HD LYS 15 3HD LYS 15 -8.242 4.217 -16.396 167 1HE LYS 15 2HE LYS 15 -7.794 4.961 -18.642 168 2HE LYS 15 3HE LYS 15 -8.018 3.209 -18.656 169 1HZ LYS 15 3HZ LYS 15 -10.065 5.201 -19.423 170 2HZ LYS 15 1HZ LYS 15 -9.151 4.325 -20.468 171 3HZ LYS 15 2HZ LYS 15 -10.240 3.566 -19.505 172 QB LYS 15 QB LYS 15 -11.482 3.388 -15.469 173 QG LYS 15 QG LYS 15 -10.100 2.535 -17.078 174 QD LYS 15 QD LYS 15 -8.925 4.705 -16.671 175 QE LYS 15 QE LYS 15 -7.906 4.085 -18.649 176 QZ LYS 15 QZ LYS 15 -9.819 4.364 -19.799 177 NH1 ARG 16 NH2 ARG 16 -13.317 4.191 -6.665 178 NH2 ARG 16 NH1 ARG 16 -13.084 6.212 -7.710 179 H ARG 16 HN ARG 16 -9.299 3.419 -11.778 180 HA ARG 16 HA ARG 16 -11.653 4.769 -10.641 181 1HB ARG 16 2HB ARG 16 -10.961 1.868 -10.272 182 2HB ARG 16 3HB ARG 16 -11.479 2.735 -8.837 183 1HG ARG 16 2HG ARG 16 -13.215 3.026 -11.274 184 2HG ARG 16 3HG ARG 16 -13.149 1.448 -10.499 185 1HD ARG 16 2HD ARG 16 -14.999 2.794 -9.619 186 2HD ARG 16 3HD ARG 16 -13.852 2.308 -8.382 187 HE ARG 16 HE ARG 16 -13.879 4.990 -9.738 188 1HH1 ARG 16 2HH2 ARG 16 -13.626 3.232 -6.627 189 2HH1 ARG 16 1HH2 ARG 16 -12.808 4.593 -5.877 190 1HH2 ARG 16 2HH1 ARG 16 -13.208 6.844 -8.485 191 2HH2 ARG 16 1HH1 ARG 16 -12.581 6.526 -6.880 192 QB ARG 16 QB ARG 16 -11.220 2.302 -9.555 193 QG ARG 16 QG ARG 16 -13.182 2.237 -10.887 194 QD ARG 16 QD ARG 16 -14.426 2.551 -9.001 195 QH1 ARG 16 QH2 ARG 16 -13.217 3.912 -6.252 196 QH2 ARG 16 QH1 ARG 16 -12.895 6.685 -7.683 197 H LYS 17 HN LYS 17 -11.168 4.798 -8.143 198 HA LYS 17 HA LYS 17 -8.411 5.247 -7.330 199 1HB LYS 17 2HB LYS 17 -10.391 7.553 -7.572 200 2HB LYS 17 3HB LYS 17 -8.976 7.537 -6.514 201 1HG LYS 17 2HG LYS 17 -7.485 7.251 -8.485 202 2HG LYS 17 3HG LYS 17 -8.889 7.250 -9.544 203 1HD LYS 17 2HD LYS 17 -7.817 9.449 -9.574 204 2HD LYS 17 3HD LYS 17 -9.478 9.519 -8.988 205 1HE LYS 17 2HE LYS 17 -8.056 11.009 -7.655 206 2HE LYS 17 3HE LYS 17 -8.720 9.724 -6.661 207 1HZ LYS 17 2HZ LYS 17 -6.540 8.565 -7.056 208 2HZ LYS 17 3HZ LYS 17 -5.938 10.017 -7.578 209 3HZ LYS 17 1HZ LYS 17 -6.561 9.812 -6.050 210 QB LYS 17 QB LYS 17 -9.683 7.545 -7.043 211 QG LYS 17 QG LYS 17 -8.187 7.251 -9.015 212 QD LYS 17 QD LYS 17 -8.648 9.484 -9.281 213 QE LYS 17 QE LYS 17 -8.388 10.367 -7.158 214 QZ LYS 17 QZ LYS 17 -6.346 9.464 -6.895 215 H ILE 18 HN ILE 18 -8.633 3.981 -5.511 216 HA ILE 18 HA ILE 18 -10.840 4.522 -3.605 217 HB ILE 18 HB ILE 18 -9.317 1.917 -4.134 218 1HG1 ILE 18 2HG1 ILE 18 -11.941 1.274 -4.388 219 2HG1 ILE 18 3HG1 ILE 18 -12.003 2.975 -4.862 220 1HG2 ILE 18 2HG2 ILE 18 -11.467 2.574 -2.075 221 2HG2 ILE 18 3HG2 ILE 18 -10.830 0.952 -2.423 222 3HG2 ILE 18 1HG2 ILE 18 -9.770 2.173 -1.734 223 1HD1 ILE 18 2HD1 ILE 18 -10.246 0.841 -6.150 224 2HD1 ILE 18 3HD1 ILE 18 -11.786 1.433 -6.796 225 3HD1 ILE 18 1HD1 ILE 18 -10.400 2.524 -6.692 226 QG1 ILE 18 QG1 ILE 18 -11.972 2.125 -4.625 227 QG2 ILE 18 QG2 ILE 18 -10.689 1.899 -2.077 228 QD1 ILE 18 QD1 ILE 18 -10.811 1.600 -6.546 229 HA PRO 19 HA PRO 19 -7.136 5.934 -1.414 230 1HB PRO 19 2HB PRO 19 -8.211 6.440 1.063 231 2HB PRO 19 3HB PRO 19 -8.361 7.524 -0.351 232 1HG PRO 19 2HG PRO 19 -10.359 5.470 0.624 233 2HG PRO 19 3HG PRO 19 -10.670 7.172 0.163 234 1HD PRO 19 2HD PRO 19 -11.127 5.131 -1.541 235 2HD PRO 19 3HD PRO 19 -10.426 6.663 -2.157 236 QB PRO 19 QB PRO 19 -8.286 6.982 0.356 237 QG PRO 19 QG PRO 19 -10.515 6.321 0.394 238 QD PRO 19 QD PRO 19 -10.776 5.897 -1.849 239 H SER 20 HN SER 20 -5.608 4.857 -0.091 240 HA SER 20 HA SER 20 -6.356 2.718 1.725 241 1HB SER 20 2HB SER 20 -4.585 2.074 -0.695 242 2HB SER 20 3HB SER 20 -4.977 0.995 0.647 243 HG SER 20 HG SER 20 -7.120 2.083 -0.763 244 QB SER 20 QB SER 20 -4.781 1.534 -0.024 245 H PHE 21 HN PHE 21 -4.134 1.837 2.612 246 HA PHE 21 HA PHE 21 -2.057 3.949 2.556 247 1HB PHE 21 2HB PHE 21 -2.749 2.040 4.817 248 2HB PHE 21 3HB PHE 21 -1.385 3.154 4.831 249 HD1 PHE 21 2HD PHE 21 -5.113 2.961 4.796 250 HD2 PHE 21 1HD PHE 21 -1.667 5.470 5.432 251 HE1 PHE 21 2HE PHE 21 -6.571 4.717 5.749 252 HE2 PHE 21 1HE PHE 21 -3.130 7.239 6.367 253 HZ PHE 21 HZ PHE 21 -5.584 6.871 6.524 254 QB PHE 21 QB PHE 21 -2.067 2.597 4.824 255 QR PHE 21 QR PHE 21 -4.120 5.097 5.586 256 OH TYR 22 OH TYR 22 5.318 4.332 -1.646 257 H TYR 22 HN TYR 22 0.133 3.142 2.291 258 HA TYR 22 HA TYR 22 0.470 0.245 2.161 259 1HB TYR 22 2HB TYR 22 1.360 0.111 0.188 260 2HB TYR 22 3HB TYR 22 0.132 1.254 -0.245 261 HD1 TYR 22 HD2 TYR 22 1.271 3.876 0.385 262 HD2 TYR 22 HD1 TYR 22 3.276 0.331 -1.051 263 HE1 TYR 22 HE2 TYR 22 3.151 5.257 -0.425 264 HE2 TYR 22 HE1 TYR 22 5.169 1.697 -1.803 265 HH TYR 22 HH TYR 22 5.912 3.788 -2.172 266 QB TYR 22 QB TYR 22 0.746 0.682 -0.028 267 QR TYR 22 QR TYR 22 3.217 2.790 -0.723 268 OH TYR 23 OH TYR 23 8.841 0.129 7.837 269 H TYR 23 HN TYR 23 2.947 -0.133 1.970 270 HA TYR 23 HA TYR 23 4.224 1.709 3.961 271 1HB TYR 23 2HB TYR 23 3.798 -0.691 4.570 272 2HB TYR 23 3HB TYR 23 4.945 -1.159 3.326 273 HD1 TYR 23 HD1 TYR 23 7.363 -0.633 3.599 274 HD2 TYR 23 HD2 TYR 23 4.503 0.357 6.616 275 HE1 TYR 23 HE1 TYR 23 9.172 -0.507 5.297 276 HE2 TYR 23 HE2 TYR 23 6.330 0.816 8.228 277 HH TYR 23 HH TYR 23 9.658 -0.277 7.544 278 QB TYR 23 QB TYR 23 4.371 -0.925 3.948 279 QR TYR 23 QR TYR 23 6.842 0.008 5.935 280 H LYS 24 HN LYS 24 5.637 3.137 3.011 281 HA LYS 24 HA LYS 24 6.797 2.475 0.363 282 1HB LYS 24 2HB LYS 24 6.043 4.736 0.863 283 2HB LYS 24 3HB LYS 24 7.198 4.861 2.198 284 1HG LYS 24 2HG LYS 24 9.064 4.564 0.590 285 2HG LYS 24 3HG LYS 24 7.938 4.446 -0.755 286 1HD LYS 24 2HD LYS 24 7.785 6.891 1.042 287 2HD LYS 24 3HD LYS 24 9.223 6.697 0.057 288 1HE LYS 24 2HE LYS 24 7.735 8.078 -1.155 289 2HE LYS 24 3HE LYS 24 7.897 6.532 -1.999 290 1HZ LYS 24 3HZ LYS 24 5.617 7.317 -0.287 291 2HZ LYS 24 1HZ LYS 24 5.622 7.295 -1.932 292 3HZ LYS 24 2HZ LYS 24 5.753 5.888 -1.105 293 QB LYS 24 QB LYS 24 6.620 4.799 1.531 294 QG LYS 24 QG LYS 24 8.501 4.505 -0.082 295 QD LYS 24 QD LYS 24 8.504 6.794 0.550 296 QE LYS 24 QE LYS 24 7.816 7.305 -1.577 297 QZ LYS 24 QZ LYS 24 5.664 6.833 -1.108 298 CH2 TRP 25 CH2 TRP 25 11.682 -4.026 5.805 299 H TRP 25 HN TRP 25 7.962 0.494 1.019 300 HA TRP 25 HA TRP 25 9.658 0.276 3.165 301 1HB TRP 25 2HB TRP 25 8.958 -1.572 1.716 302 2HB TRP 25 3HB TRP 25 10.058 -1.025 0.454 303 HD1 TRP 25 HD1 TRP 25 12.567 -1.668 0.697 304 HE1 TRP 25 HE1 TRP 25 14.018 -2.876 2.385 305 HE3 TRP 25 HE3 TRP 25 9.005 -2.619 4.216 306 HZ2 TRP 25 HZ2 TRP 25 13.703 -4.040 5.038 307 HZ3 TRP 25 HZ3 TRP 25 9.592 -3.845 6.295 308 HH2 TRP 25 HH2 TRP 25 11.930 -4.549 6.718 309 QB TRP 25 QB TRP 25 9.508 -1.299 1.085 310 H LYS 26 HN LYS 26 10.449 1.768 0.068 311 HA LYS 26 HA LYS 26 13.205 2.080 0.255 312 1HB LYS 26 2HB LYS 26 11.695 2.781 -1.621 313 2HB LYS 26 3HB LYS 26 11.198 4.181 -0.659 314 1HG LYS 26 2HG LYS 26 13.602 4.938 -0.590 315 2HG LYS 26 3HG LYS 26 14.038 3.532 -1.577 316 1HD LYS 26 2HD LYS 26 12.519 4.339 -3.379 317 2HD LYS 26 3HD LYS 26 12.150 5.789 -2.442 318 1HE LYS 26 2HE LYS 26 14.970 4.969 -3.329 319 2HE LYS 26 3HE LYS 26 13.924 6.026 -4.278 320 1HZ LYS 26 3HZ LYS 26 14.837 6.635 -1.542 321 2HZ LYS 26 1HZ LYS 26 15.482 7.242 -2.923 322 3HZ LYS 26 2HZ LYS 26 13.938 7.614 -2.516 323 QB LYS 26 QB LYS 26 11.447 3.481 -1.140 324 QG LYS 26 QG LYS 26 13.820 4.235 -1.084 325 QD LYS 26 QD LYS 26 12.334 5.064 -2.910 326 QE LYS 26 QE LYS 26 14.447 5.498 -3.803 327 QZ LYS 26 QZ LYS 26 14.752 7.164 -2.327 328 H ALA 27 HN ALA 27 10.661 3.857 1.973 329 HA ALA 27 HA ALA 27 12.589 5.705 3.288 330 1HB ALA 27 3HB ALA 27 9.539 5.536 3.259 331 2HB ALA 27 1HB ALA 27 10.496 6.776 4.098 332 3HB ALA 27 2HB ALA 27 10.540 6.655 2.327 333 QB ALA 27 QB ALA 27 10.191 6.322 3.228 334 H LYS 28 HN LYS 28 9.981 3.473 4.022 335 HA LYS 28 HA LYS 28 9.683 1.851 5.471 336 1HB LYS 28 2HB LYS 28 11.933 2.879 7.196 337 2HB LYS 28 3HB LYS 28 10.963 1.455 7.510 338 1HG LYS 28 2HG LYS 28 11.597 0.439 5.335 339 2HG LYS 28 3HG LYS 28 12.659 1.789 4.988 340 1HD LYS 28 2HD LYS 28 12.870 -0.190 7.280 341 2HD LYS 28 3HD LYS 28 13.915 -0.074 5.852 342 1HE LYS 28 2HE LYS 28 13.722 1.837 8.225 343 2HE LYS 28 3HE LYS 28 15.129 0.944 7.666 344 1HZ LYS 28 3HZ LYS 28 15.105 2.328 5.663 345 2HZ LYS 28 1HZ LYS 28 13.831 3.203 6.228 346 3HZ LYS 28 2HZ LYS 28 15.273 3.235 7.024 347 QB LYS 28 QB LYS 28 11.448 2.167 7.353 348 QG LYS 28 QG LYS 28 12.128 1.114 5.161 349 QD LYS 28 QD LYS 28 13.393 -0.132 6.566 350 QE LYS 28 QE LYS 28 14.425 1.391 7.946 351 QZ LYS 28 QZ LYS 28 14.736 2.922 6.305 352 H GLN 29 HN GLN 29 7.770 3.181 5.333 353 HA GLN 29 HA GLN 29 6.742 3.868 7.885 354 1HB GLN 29 2HB GLN 29 6.159 6.276 7.068 355 2HB GLN 29 3HB GLN 29 7.772 5.953 7.724 356 1HG GLN 29 2HG GLN 29 8.745 5.841 5.494 357 2HG GLN 29 3HG GLN 29 7.145 5.936 4.734 358 1HE2 GLN 29 2HE2 GLN 29 8.365 9.408 6.607 359 2HE2 GLN 29 1HE2 GLN 29 8.427 7.901 7.497 360 QB GLN 29 QB GLN 29 6.966 6.114 7.396 361 QG GLN 29 QG GLN 29 7.945 5.888 5.114 362 QE2 GLN 29 QE2 GLN 29 8.396 8.654 7.052 363 H CYS 30 HN CYS 30 4.476 4.233 7.806 364 HA CYS 30 HA CYS 30 3.092 2.986 5.490 365 1HB CYS 30 2HB CYS 30 2.302 3.766 8.288 366 2HB CYS 30 3HB CYS 30 1.141 3.115 7.124 367 QB CYS 30 QB CYS 30 1.721 3.441 7.706 368 H LEU 31 HN LEU 31 1.787 4.181 4.167 369 HA LEU 31 HA LEU 31 1.373 7.080 4.738 370 1HB LEU 31 2HB LEU 31 2.542 5.889 2.193 371 2HB LEU 31 3HB LEU 31 2.238 7.596 2.497 372 HG LEU 31 HG LEU 31 4.355 5.870 3.902 373 1HD1 LEU 31 2HD1 LEU 31 4.750 6.411 1.504 374 2HD1 LEU 31 3HD1 LEU 31 4.576 8.138 1.862 375 3HD1 LEU 31 1HD1 LEU 31 5.911 7.215 2.585 376 1HD2 LEU 31 2HD2 LEU 31 3.486 7.761 5.361 377 2HD2 LEU 31 3HD2 LEU 31 5.151 7.986 4.842 378 3HD2 LEU 31 1HD2 LEU 31 3.846 8.891 4.051 379 QB LEU 31 QB LEU 31 2.390 6.743 2.345 380 QD1 LEU 31 QD1 LEU 31 5.079 7.255 1.984 381 QD2 LEU 31 QD2 LEU 31 4.161 8.213 4.752 382 QQD LEU 31 QQD LEU 31 4.620 7.734 3.368 383 HA PRO 32 HA PRO 32 -2.515 6.127 2.612 384 1HB PRO 32 2HB PRO 32 -3.489 8.636 2.228 385 2HB PRO 32 3HB PRO 32 -3.415 7.879 3.838 386 1HG PRO 32 2HG PRO 32 -1.424 9.800 2.603 387 2HG PRO 32 3HG PRO 32 -2.167 9.895 4.228 388 1HD PRO 32 2HD PRO 32 0.307 8.835 3.802 389 2HD PRO 32 3HD PRO 32 -0.788 8.151 5.042 390 QB PRO 32 QB PRO 32 -3.452 8.257 3.033 391 QG PRO 32 QG PRO 32 -1.796 9.848 3.415 392 QD PRO 32 QD PRO 32 -0.240 8.493 4.422 393 H PHE 33 HN PHE 33 -3.324 6.208 0.418 394 HA PHE 33 HA PHE 33 -2.463 8.095 -1.518 395 1HB PHE 33 2HB PHE 33 -1.148 6.797 -2.971 396 2HB PHE 33 3HB PHE 33 -0.400 6.554 -1.423 397 HD1 PHE 33 2HD PHE 33 -1.426 4.386 -0.044 398 HD2 PHE 33 1HD PHE 33 -1.737 5.021 -4.266 399 HE1 PHE 33 2HE PHE 33 -1.992 1.998 -0.379 400 HE2 PHE 33 1HE PHE 33 -2.078 2.577 -4.630 401 HZ PHE 33 HZ PHE 33 -2.115 1.053 -2.627 402 QB PHE 33 QB PHE 33 -0.774 6.675 -2.197 403 QR PHE 33 QR PHE 33 -1.808 3.495 -2.330 404 H ASP 34 HN ASP 34 -3.362 7.093 -3.836 405 HA ASP 34 HA ASP 34 -5.966 5.723 -3.275 406 1HB ASP 34 2HB ASP 34 -5.052 7.679 -5.422 407 2HB ASP 34 3HB ASP 34 -6.326 6.508 -5.736 408 QB ASP 34 QB ASP 34 -5.689 7.094 -5.579 409 OH TYR 35 OH TYR 35 -5.576 -3.448 -7.695 410 H TYR 35 HN TYR 35 -6.085 3.711 -3.913 411 HA TYR 35 HA TYR 35 -4.169 2.539 -5.851 412 1HB TYR 35 2HB TYR 35 -4.700 1.314 -3.842 413 2HB TYR 35 3HB TYR 35 -6.431 1.470 -4.119 414 HD1 TYR 35 HD1 TYR 35 -3.516 0.316 -6.201 415 HD2 TYR 35 HD2 TYR 35 -7.465 -0.529 -4.772 416 HE1 TYR 35 HE1 TYR 35 -3.667 -1.600 -7.757 417 HE2 TYR 35 HE2 TYR 35 -7.376 -2.735 -5.908 418 HH TYR 35 HH TYR 35 -6.482 -3.788 -7.726 419 QB TYR 35 QB TYR 35 -5.565 1.392 -3.980 420 QR TYR 35 QR TYR 35 -5.506 -1.137 -6.159 421 H SER 36 HN SER 36 -4.969 1.669 -7.904 422 HA SER 36 HA SER 36 -7.113 3.319 -8.922 423 1HB SER 36 2HB SER 36 -6.678 2.340 -11.055 424 2HB SER 36 3HB SER 36 -5.161 2.802 -10.300 425 HG SER 36 HG SER 36 -4.674 0.715 -9.923 426 QB SER 36 QB SER 36 -5.920 2.571 -10.678 427 H GLY 37 HN GLY 37 -6.689 -0.221 -8.898 428 1HA GLY 37 1HA GLY 37 -8.958 -1.038 -7.498 429 2HA GLY 37 2HA GLY 37 -9.544 -0.764 -9.150 430 QA GLY 37 QA GLY 37 -9.251 -0.901 -8.324 431 H CYS 38 HN CYS 38 -7.313 -1.503 -10.603 432 HA CYS 38 HA CYS 38 -6.987 -4.411 -10.075 433 1HB CYS 38 2HB CYS 38 -7.010 -4.819 -12.449 434 2HB CYS 38 3HB CYS 38 -8.555 -4.250 -11.850 435 QB CYS 38 QB CYS 38 -7.783 -4.534 -12.150 436 H GLY 39 HN GLY 39 -5.049 -5.258 -10.549 437 1HA GLY 39 1HA GLY 39 -2.843 -5.405 -11.198 438 2HA GLY 39 2HA GLY 39 -2.875 -3.738 -11.775 439 QA GLY 39 QA GLY 39 -2.859 -4.571 -11.487 440 H GLY 40 HN GLY 40 -3.919 -4.269 -8.436 441 1HA GLY 40 1HA GLY 40 -1.536 -2.977 -7.371 442 2HA GLY 40 2HA GLY 40 -2.907 -3.564 -6.467 443 QA GLY 40 QA GLY 40 -2.221 -3.270 -6.919 444 H ASN 41 HN ASN 41 -0.060 -3.904 -5.945 445 HA ASN 41 HA ASN 41 0.279 -6.851 -5.863 446 1HB ASN 41 2HB ASN 41 2.449 -6.344 -4.850 447 2HB ASN 41 3HB ASN 41 2.246 -5.520 -6.379 448 1HD2 ASN 41 2HD2 ASN 41 3.635 -2.750 -4.585 449 2HD2 ASN 41 1HD2 ASN 41 4.069 -4.170 -5.510 450 QB ASN 41 QB ASN 41 2.348 -5.932 -5.614 451 QD2 ASN 41 QD2 ASN 41 3.852 -3.460 -5.047 452 H ALA 42 HN ALA 42 1.349 -7.280 -3.400 453 HA ALA 42 HA ALA 42 -0.973 -7.187 -1.657 454 1HB ALA 42 1HB ALA 42 1.848 -8.291 -1.415 455 2HB ALA 42 2HB ALA 42 0.645 -8.439 -0.118 456 3HB ALA 42 3HB ALA 42 0.363 -9.194 -1.696 457 QB ALA 42 QB ALA 42 0.952 -8.641 -1.076 458 H ASN 43 HN ASN 43 1.483 -4.802 -2.108 459 HA ASN 43 HA ASN 43 1.574 -4.107 0.750 460 1HB ASN 43 2HB ASN 43 3.455 -3.713 -1.005 461 2HB ASN 43 3HB ASN 43 2.531 -2.284 -1.471 462 1HD2 ASN 43 2HD2 ASN 43 4.993 -1.188 1.060 463 2HD2 ASN 43 1HD2 ASN 43 5.101 -2.069 -0.435 464 QB ASN 43 QB ASN 43 2.993 -2.998 -1.238 465 QD2 ASN 43 QD2 ASN 43 5.047 -1.629 0.312 466 NH1 ARG 44 NH2 ARG 44 -1.939 -0.694 -4.393 467 NH2 ARG 44 NH1 ARG 44 -1.080 -2.811 -4.095 468 H ARG 44 HN ARG 44 -0.853 -4.115 0.861 469 HA ARG 44 HA ARG 44 -1.800 -1.330 0.540 470 1HB ARG 44 2HB ARG 44 -2.244 -3.058 -1.473 471 2HB ARG 44 3HB ARG 44 -3.696 -3.393 -0.529 472 1HG ARG 44 2HG ARG 44 -4.359 -1.041 -0.601 473 2HG ARG 44 3HG ARG 44 -2.813 -0.590 -1.327 474 1HD ARG 44 2HD ARG 44 -5.120 -2.077 -2.640 475 2HD ARG 44 3HD ARG 44 -4.343 -0.604 -3.106 476 HE ARG 44 HE ARG 44 -3.414 -3.384 -3.466 477 1HH1 ARG 44 2HH2 ARG 44 -2.720 -0.067 -4.293 478 2HH1 ARG 44 1HH2 ARG 44 -1.218 -0.463 -5.075 479 1HH2 ARG 44 2HH1 ARG 44 -1.231 -3.773 -3.799 480 2HH2 ARG 44 1HH1 ARG 44 -0.107 -2.519 -4.123 481 QB ARG 44 QB ARG 44 -2.970 -3.226 -1.001 482 QG ARG 44 QG ARG 44 -3.586 -0.816 -0.964 483 QD ARG 44 QD ARG 44 -4.731 -1.341 -2.873 484 QH1 ARG 44 QH2 ARG 44 -1.969 -0.265 -4.684 485 QH2 ARG 44 QH1 ARG 44 -0.669 -3.146 -3.961 486 H PHE 45 HN PHE 45 -2.998 -0.729 2.190 487 HA PHE 45 HA PHE 45 -4.243 -2.663 4.125 488 1HB PHE 45 2HB PHE 45 -2.396 -0.328 4.639 489 2HB PHE 45 3HB PHE 45 -3.190 -1.312 5.846 490 HD1 PHE 45 2HD PHE 45 -2.683 -3.956 5.679 491 HD2 PHE 45 1HD PHE 45 -0.214 -0.924 3.894 492 HE1 PHE 45 2HE PHE 45 -0.686 -5.382 6.026 493 HE2 PHE 45 1HE PHE 45 1.773 -2.395 4.128 494 HZ PHE 45 HZ PHE 45 1.554 -4.592 5.276 495 QB PHE 45 QB PHE 45 -2.793 -0.820 5.242 496 QR PHE 45 QR PHE 45 -0.452 -3.164 4.932 497 H LYS 46 HN LYS 46 -6.076 -1.942 5.060 498 HA LYS 46 HA LYS 46 -7.408 0.346 3.732 499 1HB LYS 46 2HB LYS 46 -8.280 -1.603 5.906 500 2HB LYS 46 3HB LYS 46 -9.221 -0.181 5.420 501 1HG LYS 46 2HG LYS 46 -9.151 -0.957 3.062 502 2HG LYS 46 3HG LYS 46 -8.381 -2.467 3.594 503 1HD LYS 46 2HD LYS 46 -10.282 -3.066 4.959 504 2HD LYS 46 3HD LYS 46 -11.040 -1.487 4.758 505 1HE LYS 46 2HE LYS 46 -10.602 -3.538 2.527 506 2HE LYS 46 3HE LYS 46 -12.124 -3.250 3.380 507 1HZ LYS 46 1HZ LYS 46 -12.080 -0.979 2.541 508 2HZ LYS 46 2HZ LYS 46 -10.717 -1.297 1.679 509 3HZ LYS 46 3HZ LYS 46 -12.113 -2.083 1.323 510 QB LYS 46 QB LYS 46 -8.751 -0.892 5.663 511 QG LYS 46 QG LYS 46 -8.766 -1.712 3.328 512 QD LYS 46 QD LYS 46 -10.661 -2.276 4.858 513 QE LYS 46 QE LYS 46 -11.363 -3.394 2.953 514 QZ LYS 46 QZ LYS 46 -11.637 -1.453 1.848 515 H THR 47 HN THR 47 -5.529 -0.268 6.621 516 HA THR 47 HA THR 47 -6.017 2.583 7.446 517 HB THR 47 HB THR 47 -6.004 1.984 9.746 518 HG1 THR 47 1HG THR 47 -5.926 -0.723 8.951 519 1HG2 THR 47 1HG2 THR 47 -8.204 1.903 8.596 520 2HG2 THR 47 2HG2 THR 47 -7.981 0.162 8.315 521 3HG2 THR 47 3HG2 THR 47 -8.096 0.781 9.970 522 QG2 THR 47 QG2 THR 47 -8.094 0.949 8.961 523 H ILE 48 HN ILE 48 -4.412 3.548 8.660 524 HA ILE 48 HA ILE 48 -1.708 2.813 7.897 525 HB ILE 48 HB ILE 48 -2.880 5.167 8.374 526 1HG1 ILE 48 2HG1 ILE 48 -0.548 4.682 7.526 527 2HG1 ILE 48 3HG1 ILE 48 -0.971 6.261 8.195 528 1HG2 ILE 48 3HG2 ILE 48 -3.451 4.750 10.698 529 2HG2 ILE 48 1HG2 ILE 48 -1.737 4.603 11.122 530 3HG2 ILE 48 2HG2 ILE 48 -2.371 6.145 10.517 531 1HD1 ILE 48 2HD1 ILE 48 0.458 4.088 9.718 532 2HD1 ILE 48 3HD1 ILE 48 1.187 5.543 8.961 533 3HD1 ILE 48 1HD1 ILE 48 0.062 5.729 10.314 534 QG1 ILE 48 QG1 ILE 48 -0.760 5.472 7.860 535 QG2 ILE 48 QG2 ILE 48 -2.520 5.166 10.779 536 QD1 ILE 48 QD1 ILE 48 0.569 5.120 9.664 537 H GLU 49 HN GLU 49 -3.806 2.346 10.728 538 HA GLU 49 HA GLU 49 -1.569 1.580 12.392 539 1HB GLU 49 2HB GLU 49 -3.211 0.848 13.997 540 2HB GLU 49 3HB GLU 49 -3.546 2.488 13.459 541 1HG GLU 49 2HG GLU 49 -5.545 1.900 12.419 542 2HG GLU 49 3HG GLU 49 -5.004 0.255 12.046 543 QB GLU 49 QB GLU 49 -3.378 1.668 13.728 544 QG GLU 49 QG GLU 49 -5.274 1.078 12.232 545 H GLU 50 HN GLU 50 -3.897 -0.260 10.296 546 HA GLU 50 HA GLU 50 -2.898 -2.779 11.252 547 1HB GLU 50 2HB GLU 50 -4.098 -3.835 9.543 548 2HB GLU 50 3HB GLU 50 -5.066 -2.433 9.998 549 1HG GLU 50 2HG GLU 50 -3.879 -1.258 8.018 550 2HG GLU 50 3HG GLU 50 -3.346 -2.885 7.542 551 QB GLU 50 QB GLU 50 -4.582 -3.134 9.770 552 QG GLU 50 QG GLU 50 -3.613 -2.071 7.780 553 H CYS 51 HN CYS 51 -1.993 -0.668 8.481 554 HA CYS 51 HA CYS 51 0.151 -2.182 7.500 555 1HB CYS 51 2HB CYS 51 -0.609 -0.176 6.334 556 2HB CYS 51 3HB CYS 51 -0.136 0.852 7.675 557 QB CYS 51 QB CYS 51 -0.372 0.338 7.004 558 NH1 ARG 52 NH2 ARG 52 2.854 5.747 13.866 559 NH2 ARG 52 NH1 ARG 52 2.811 6.220 11.598 560 H ARG 52 HN ARG 52 0.337 0.443 9.992 561 HA ARG 52 HA ARG 52 3.076 0.028 10.502 562 1HB ARG 52 2HB ARG 52 1.620 1.953 11.174 563 2HB ARG 52 3HB ARG 52 1.007 0.982 12.520 564 1HG ARG 52 2HG ARG 52 3.251 0.816 13.478 565 2HG ARG 52 3HG ARG 52 3.977 1.578 12.056 566 1HD ARG 52 2HD ARG 52 1.995 2.932 13.934 567 2HD ARG 52 3HD ARG 52 3.765 3.104 13.995 568 HE ARG 52 HE ARG 52 2.799 3.712 11.362 569 1HH1 ARG 52 2HH2 ARG 52 2.861 5.064 14.609 570 2HH1 ARG 52 1HH2 ARG 52 2.852 6.726 14.108 571 1HH2 ARG 52 2HH1 ARG 52 2.789 5.919 10.634 572 2HH2 ARG 52 1HH1 ARG 52 2.810 7.212 11.782 573 QB ARG 52 QB ARG 52 1.314 1.468 11.847 574 QG ARG 52 QG ARG 52 3.614 1.197 12.767 575 QD ARG 52 QD ARG 52 2.880 3.018 13.964 576 QH1 ARG 52 QH2 ARG 52 2.857 5.895 14.358 577 QH2 ARG 52 QH1 ARG 52 2.799 6.565 11.208 578 NH1 ARG 53 NH2 ARG 53 -2.738 -3.389 17.214 579 NH2 ARG 53 NH1 ARG 53 -4.206 -2.297 15.831 580 H ARG 53 HN ARG 53 0.264 -1.544 12.025 581 HA ARG 53 HA ARG 53 1.778 -2.915 14.041 582 1HB ARG 53 2HB ARG 53 -0.726 -2.431 13.982 583 2HB ARG 53 3HB ARG 53 -0.869 -3.771 12.829 584 1HG ARG 53 2HG ARG 53 0.389 -5.153 14.722 585 2HG ARG 53 3HG ARG 53 -0.061 -3.788 15.756 586 1HD ARG 53 2HD ARG 53 -1.878 -5.649 14.178 587 2HD ARG 53 3HD ARG 53 -1.769 -5.551 15.919 588 HE ARG 53 HE ARG 53 -3.188 -3.757 14.041 589 1HH1 ARG 53 2HH2 ARG 53 -1.996 -4.056 17.351 590 2HH1 ARG 53 1HH2 ARG 53 -3.079 -2.858 18.001 591 1HH2 ARG 53 2HH1 ARG 53 -4.543 -1.964 14.915 592 2HH2 ARG 53 1HH1 ARG 53 -4.596 -1.781 16.602 593 QB ARG 53 QB ARG 53 -0.797 -3.101 13.405 594 QG ARG 53 QG ARG 53 0.164 -4.471 15.239 595 QD ARG 53 QD ARG 53 -1.823 -5.600 15.049 596 QH1 ARG 53 QH2 ARG 53 -2.537 -3.457 17.676 597 QH2 ARG 53 QH1 ARG 53 -4.570 -1.872 15.758 598 H THR 54 HN THR 54 0.784 -3.794 10.726 599 HA THR 54 HA THR 54 1.622 -6.562 10.969 600 HB THR 54 HB THR 54 1.115 -4.861 8.486 601 HG1 THR 54 1HG THR 54 -0.723 -4.927 9.702 602 1HG2 THR 54 2HG2 THR 54 1.139 -7.878 8.916 603 2HG2 THR 54 3HG2 THR 54 0.615 -7.042 7.436 604 3HG2 THR 54 1HG2 THR 54 2.307 -6.960 7.940 605 QG2 THR 54 QG2 THR 54 1.354 -7.293 8.098 606 H CYS 55 HN CYS 55 3.020 -3.576 9.493 607 HA CYS 55 HA CYS 55 5.278 -5.146 8.613 608 1HB CYS 55 2HB CYS 55 4.341 -3.564 7.152 609 2HB CYS 55 3HB CYS 55 4.946 -2.227 8.142 610 QB CYS 55 QB CYS 55 4.643 -2.896 7.647 611 H VAL 56 HN VAL 56 4.815 -2.374 10.804 612 HA VAL 56 HA VAL 56 7.618 -2.456 11.729 613 HB VAL 56 HB VAL 56 5.353 -0.540 12.477 614 1HG1 VAL 56 2HG1 VAL 56 8.374 -0.414 12.818 615 2HG1 VAL 56 3HG1 VAL 56 7.359 1.036 12.803 616 3HG1 VAL 56 1HG1 VAL 56 7.102 -0.164 14.044 617 1HG2 VAL 56 2HG2 VAL 56 7.390 -0.349 10.236 618 2HG2 VAL 56 3HG2 VAL 56 5.618 -0.430 10.070 619 3HG2 VAL 56 1HG2 VAL 56 6.359 0.988 10.792 620 QG1 VAL 56 QG1 VAL 56 7.612 0.153 13.222 621 QG2 VAL 56 QG2 VAL 56 6.456 0.070 10.366 622 QQG VAL 56 QQG VAL 56 7.034 0.111 11.794 623 H GLY 57 HN GLY 57 7.529 -1.985 14.435 624 1HA GLY 57 1HA GLY 57 5.426 -3.364 15.785 625 2HA GLY 57 2HA GLY 57 7.018 -4.167 15.907 626 QA GLY 57 QA GLY 57 6.222 -3.766 15.846 Start of MODEL 19 Raw file had 626 H/Q atoms Start of MODEL 19 1 H ALA 1 HN ALA 1 8.164 -7.236 10.864 2 HA ALA 1 HA ALA 1 7.115 -6.481 8.974 3 1HB ALA 1 3HB ALA 1 9.992 -7.141 8.224 4 2HB ALA 1 1HB ALA 1 8.917 -6.273 7.118 5 3HB ALA 1 2HB ALA 1 9.304 -5.569 8.695 6 QB ALA 1 QB ALA 1 9.405 -6.328 8.013 7 H ALA 2 HN ALA 2 6.779 -6.846 6.486 8 HA ALA 2 HA ALA 2 6.002 -9.713 6.132 9 1HB ALA 2 2HB ALA 2 4.383 -7.440 6.159 10 2HB ALA 2 3HB ALA 2 4.647 -7.736 4.439 11 3HB ALA 2 1HB ALA 2 3.982 -9.019 5.463 12 QB ALA 2 QB ALA 2 4.337 -8.065 5.353 13 H LYS 3 HN LYS 3 6.101 -10.511 3.858 14 HA LYS 3 HA LYS 3 8.618 -9.730 2.634 15 1HB LYS 3 2HB LYS 3 6.590 -11.836 2.185 16 2HB LYS 3 3HB LYS 3 7.176 -11.141 0.691 17 1HG LYS 3 2HG LYS 3 8.574 -12.902 0.976 18 2HG LYS 3 3HG LYS 3 9.588 -11.564 1.503 19 1HD LYS 3 2HD LYS 3 7.890 -12.998 3.576 20 2HD LYS 3 3HD LYS 3 9.195 -13.928 2.864 21 1HE LYS 3 2HE LYS 3 10.883 -12.671 3.800 22 2HE LYS 3 3HE LYS 3 9.892 -11.212 3.974 23 1HZ LYS 3 3HZ LYS 3 9.535 -13.648 5.596 24 2HZ LYS 3 1HZ LYS 3 10.361 -12.316 6.076 25 3HZ LYS 3 2HZ LYS 3 8.751 -12.214 5.785 26 QB LYS 3 QB LYS 3 6.883 -11.488 1.438 27 QG LYS 3 QG LYS 3 9.081 -12.233 1.240 28 QD LYS 3 QD LYS 3 8.542 -13.463 3.220 29 QE LYS 3 QE LYS 3 10.387 -11.942 3.887 30 QZ LYS 3 QZ LYS 3 9.549 -12.726 5.819 31 OH TYR 4 OH TYR 4 0.941 -8.556 5.305 32 H TYR 4 HN TYR 4 5.213 -9.511 1.652 33 HA TYR 4 HA TYR 4 5.575 -7.875 -0.584 34 1HB TYR 4 2HB TYR 4 3.150 -7.313 -0.243 35 2HB TYR 4 3HB TYR 4 3.540 -9.040 -0.218 36 HD1 TYR 4 HD2 TYR 4 2.947 -6.087 2.072 37 HD2 TYR 4 HD1 TYR 4 2.729 -10.371 1.553 38 HE1 TYR 4 HE2 TYR 4 1.943 -6.304 4.273 39 HE2 TYR 4 HE1 TYR 4 1.571 -10.559 3.736 40 HH TYR 4 HH TYR 4 0.602 -7.720 5.635 41 QB TYR 4 QB TYR 4 3.345 -8.177 -0.230 42 QR TYR 4 QR TYR 4 2.297 -8.330 2.908 43 H CYS 5 HN CYS 5 5.909 -7.060 2.733 44 HA CYS 5 HA CYS 5 5.118 -4.335 2.657 45 1HB CYS 5 2HB CYS 5 5.985 -5.914 4.673 46 2HB CYS 5 3HB CYS 5 7.505 -5.077 4.303 47 QB CYS 5 QB CYS 5 6.745 -5.496 4.488 48 H LYS 6 HN LYS 6 7.890 -6.031 1.333 49 HA LYS 6 HA LYS 6 9.492 -3.667 0.782 50 1HB LYS 6 2HB LYS 6 9.692 -6.597 0.169 51 2HB LYS 6 3HB LYS 6 10.638 -5.452 -0.784 52 1HG LYS 6 2HG LYS 6 11.682 -4.511 1.066 53 2HG LYS 6 3HG LYS 6 10.587 -5.285 2.232 54 1HD LYS 6 2HD LYS 6 12.034 -7.183 0.524 55 2HD LYS 6 3HD LYS 6 13.130 -6.126 1.434 56 1HE LYS 6 2HE LYS 6 12.618 -6.997 3.467 57 2HE LYS 6 3HE LYS 6 10.912 -7.279 3.081 58 1HZ LYS 6 1HZ LYS 6 13.112 -8.944 2.074 59 2HZ LYS 6 2HZ LYS 6 12.166 -9.298 3.372 60 3HZ LYS 6 3HZ LYS 6 11.494 -9.187 1.870 61 QB LYS 6 QB LYS 6 10.165 -6.024 -0.307 62 QG LYS 6 QG LYS 6 11.135 -4.898 1.649 63 QD LYS 6 QD LYS 6 12.582 -6.655 0.979 64 QE LYS 6 QE LYS 6 11.765 -7.138 3.274 65 QZ LYS 6 QZ LYS 6 12.257 -9.143 2.439 66 H LEU 7 HN LEU 7 6.520 -4.566 -0.564 67 HA LEU 7 HA LEU 7 7.276 -4.101 -3.286 68 1HB LEU 7 2HB LEU 7 4.586 -4.230 -1.937 69 2HB LEU 7 3HB LEU 7 4.827 -4.081 -3.671 70 HG LEU 7 HG LEU 7 6.066 -6.330 -2.064 71 1HD1 LEU 7 3HD1 LEU 7 3.372 -6.133 -2.285 72 2HD1 LEU 7 1HD1 LEU 7 3.782 -6.944 -3.817 73 3HD1 LEU 7 2HD1 LEU 7 4.253 -7.685 -2.323 74 1HD2 LEU 7 1HD2 LEU 7 6.335 -5.486 -4.807 75 2HD2 LEU 7 2HD2 LEU 7 7.098 -6.856 -3.952 76 3HD2 LEU 7 3HD2 LEU 7 5.575 -7.069 -4.803 77 QB LEU 7 QB LEU 7 4.706 -4.155 -2.804 78 QD1 LEU 7 QD1 LEU 7 3.803 -6.920 -2.808 79 QD2 LEU 7 QD2 LEU 7 6.336 -6.471 -4.521 80 QQD LEU 7 QQD LEU 7 5.069 -6.696 -3.664 81 HA PRO 8 HA PRO 8 7.055 0.368 -2.816 82 1HB PRO 8 2HB PRO 8 7.341 1.090 -5.479 83 2HB PRO 8 3HB PRO 8 8.663 0.505 -4.437 84 1HG PRO 8 2HG PRO 8 7.125 -1.002 -6.538 85 2HG PRO 8 3HG PRO 8 8.852 -1.120 -6.101 86 1HD PRO 8 2HD PRO 8 6.792 -2.874 -5.214 87 2HD PRO 8 3HD PRO 8 8.421 -2.663 -4.465 88 QB PRO 8 QB PRO 8 8.002 0.798 -4.958 89 QG PRO 8 QG PRO 8 7.989 -1.061 -6.319 90 QD PRO 8 QD PRO 8 7.607 -2.768 -4.840 91 H LEU 9 HN LEU 9 5.861 2.219 -4.165 92 HA LEU 9 HA LEU 9 3.106 1.927 -3.697 93 1HB LEU 9 2HB LEU 9 4.303 4.083 -3.737 94 2HB LEU 9 3HB LEU 9 4.605 3.916 -5.451 95 HG LEU 9 HG LEU 9 2.384 4.259 -6.036 96 1HD1 LEU 9 3HD1 LEU 9 1.552 3.869 -3.123 97 2HD1 LEU 9 1HD1 LEU 9 0.494 4.497 -4.379 98 3HD1 LEU 9 2HD1 LEU 9 1.097 2.843 -4.483 99 1HD2 LEU 9 1HD2 LEU 9 3.776 6.194 -4.817 100 2HD2 LEU 9 2HD2 LEU 9 2.130 6.477 -5.383 101 3HD2 LEU 9 3HD2 LEU 9 2.422 6.124 -3.673 102 QB LEU 9 QB LEU 9 4.454 3.999 -4.594 103 QD1 LEU 9 QD1 LEU 9 1.048 3.736 -3.995 104 QD2 LEU 9 QD2 LEU 9 2.776 6.265 -4.625 105 QQD LEU 9 QQD LEU 9 1.912 5.001 -4.310 106 NH1 ARG 10 NH2 ARG 10 3.352 -0.344 -11.078 107 NH2 ARG 10 NH1 ARG 10 1.720 1.286 -10.986 108 H ARG 10 HN ARG 10 1.905 0.487 -4.764 109 HA ARG 10 HA ARG 10 2.027 0.440 -7.746 110 1HB ARG 10 2HB ARG 10 2.854 -1.629 -6.579 111 2HB ARG 10 3HB ARG 10 1.287 -1.754 -5.801 112 1HG ARG 10 2HG ARG 10 1.401 -3.307 -7.620 113 2HG ARG 10 3HG ARG 10 0.182 -2.078 -7.911 114 1HD ARG 10 2HD ARG 10 2.978 -1.994 -9.073 115 2HD ARG 10 3HD ARG 10 1.620 -2.798 -9.892 116 HE ARG 10 HE ARG 10 0.467 -0.476 -9.626 117 1HH1 ARG 10 2HH2 ARG 10 3.664 -1.278 -10.857 118 2HH1 ARG 10 1HH2 ARG 10 3.938 0.235 -11.658 119 1HH2 ARG 10 2HH1 ARG 10 0.845 1.653 -10.654 120 2HH2 ARG 10 1HH1 ARG 10 2.275 1.883 -11.583 121 QB ARG 10 QB ARG 10 2.070 -1.691 -6.190 122 QG ARG 10 QG ARG 10 0.792 -2.693 -7.766 123 QD ARG 10 QD ARG 10 2.299 -2.396 -9.483 124 QH1 ARG 10 QH2 ARG 10 3.801 -0.521 -11.258 125 QH2 ARG 10 QH1 ARG 10 1.560 1.768 -11.119 126 H ILE 11 HN ILE 11 0.443 2.237 -7.761 127 HA ILE 11 HA ILE 11 -2.159 1.965 -6.608 128 HB ILE 11 HB ILE 11 -1.105 3.581 -8.959 129 1HG1 ILE 11 2HG1 ILE 11 -1.882 5.130 -6.664 130 2HG1 ILE 11 3HG1 ILE 11 -0.901 3.798 -6.066 131 1HG2 ILE 11 2HG2 ILE 11 -3.830 3.621 -7.634 132 2HG2 ILE 11 3HG2 ILE 11 -3.187 4.984 -8.575 133 3HG2 ILE 11 1HG2 ILE 11 -3.459 3.422 -9.352 134 1HD1 ILE 11 2HD1 ILE 11 -0.147 5.730 -8.292 135 2HD1 ILE 11 3HD1 ILE 11 0.452 5.748 -6.626 136 3HD1 ILE 11 1HD1 ILE 11 0.864 4.386 -7.703 137 QG1 ILE 11 QG1 ILE 11 -1.392 4.464 -6.365 138 QG2 ILE 11 QG2 ILE 11 -3.492 4.009 -8.520 139 QD1 ILE 11 QD1 ILE 11 0.390 5.288 -7.540 140 H GLY 12 HN GLY 12 -0.947 1.378 -9.884 141 1HA GLY 12 1HA GLY 12 -1.623 -0.885 -10.784 142 2HA GLY 12 2HA GLY 12 -3.286 -0.366 -10.476 143 QA GLY 12 QA GLY 12 -2.455 -0.625 -10.630 144 HA PRO 13 HA PRO 13 -2.052 1.448 -14.620 145 1HB PRO 13 2HB PRO 13 -2.600 -0.550 -16.417 146 2HB PRO 13 3HB PRO 13 -1.012 -0.310 -15.647 147 1HG PRO 13 2HG PRO 13 -3.082 -2.384 -15.018 148 2HG PRO 13 3HG PRO 13 -1.303 -2.484 -14.915 149 1HD PRO 13 2HD PRO 13 -3.121 -1.968 -12.788 150 2HD PRO 13 3HD PRO 13 -1.340 -1.798 -12.745 151 QB PRO 13 QB PRO 13 -1.806 -0.430 -16.032 152 QG PRO 13 QG PRO 13 -2.192 -2.434 -14.967 153 QD PRO 13 QD PRO 13 -2.230 -1.883 -12.767 154 H CYS 14 HN CYS 14 -4.712 0.100 -12.977 155 HA CYS 14 HA CYS 14 -6.773 0.733 -14.935 156 1HB CYS 14 2HB CYS 14 -6.573 -0.392 -12.193 157 2HB CYS 14 3HB CYS 14 -8.010 0.579 -12.488 158 QB CYS 14 QB CYS 14 -7.291 0.094 -12.340 159 H LYS 15 HN LYS 15 -8.576 2.303 -13.990 160 HA LYS 15 HA LYS 15 -7.263 4.921 -13.342 161 1HB LYS 15 2HB LYS 15 -9.319 4.280 -15.488 162 2HB LYS 15 3HB LYS 15 -8.844 5.920 -15.005 163 1HG LYS 15 2HG LYS 15 -6.493 5.459 -15.655 164 2HG LYS 15 3HG LYS 15 -6.924 3.806 -16.051 165 1HD LYS 15 2HD LYS 15 -6.950 4.613 -18.120 166 2HD LYS 15 3HD LYS 15 -8.647 4.865 -17.752 167 1HE LYS 15 2HE LYS 15 -6.550 7.062 -17.305 168 2HE LYS 15 3HE LYS 15 -7.160 6.730 -18.924 169 1HZ LYS 15 3HZ LYS 15 -8.922 7.419 -16.679 170 2HZ LYS 15 1HZ LYS 15 -8.347 8.491 -17.792 171 3HZ LYS 15 2HZ LYS 15 -9.331 7.269 -18.268 172 QB LYS 15 QB LYS 15 -9.082 5.100 -15.247 173 QG LYS 15 QG LYS 15 -6.709 4.633 -15.853 174 QD LYS 15 QD LYS 15 -7.798 4.739 -17.936 175 QE LYS 15 QE LYS 15 -6.855 6.896 -18.115 176 QZ LYS 15 QZ LYS 15 -8.866 7.726 -17.580 177 NH1 ARG 16 NH2 ARG 16 -15.301 1.803 -8.303 178 NH2 ARG 16 NH1 ARG 16 -14.836 -0.463 -8.167 179 H ARG 16 HN ARG 16 -8.147 3.561 -11.335 180 HA ARG 16 HA ARG 16 -10.816 4.638 -10.578 181 1HB ARG 16 2HB ARG 16 -9.410 2.056 -10.079 182 2HB ARG 16 3HB ARG 16 -10.285 2.733 -8.707 183 1HG ARG 16 2HG ARG 16 -11.710 2.551 -11.351 184 2HG ARG 16 3HG ARG 16 -11.323 1.059 -10.505 185 1HD ARG 16 2HD ARG 16 -12.451 2.918 -8.565 186 2HD ARG 16 3HD ARG 16 -13.487 2.834 -10.001 187 HE ARG 16 HE ARG 16 -12.564 0.241 -8.988 188 1HH1 ARG 16 2HH2 ARG 16 -14.984 2.743 -8.491 189 2HH1 ARG 16 1HH2 ARG 16 -16.241 1.668 -7.964 190 1HH2 ARG 16 2HH1 ARG 16 -14.205 -1.242 -8.293 191 2HH2 ARG 16 1HH1 ARG 16 -15.762 -0.656 -7.815 192 QB ARG 16 QB ARG 16 -9.847 2.394 -9.393 193 QG ARG 16 QG ARG 16 -11.517 1.805 -10.928 194 QD ARG 16 QD ARG 16 -12.969 2.876 -9.283 195 QH1 ARG 16 QH2 ARG 16 -15.613 2.205 -8.228 196 QH2 ARG 16 QH1 ARG 16 -14.984 -0.949 -8.054 197 H LYS 17 HN LYS 17 -10.886 4.926 -8.115 198 HA LYS 17 HA LYS 17 -8.413 5.912 -6.864 199 1HB LYS 17 2HB LYS 17 -10.770 7.658 -7.729 200 2HB LYS 17 3HB LYS 17 -9.912 8.006 -6.243 201 1HG LYS 17 2HG LYS 17 -8.445 9.174 -7.399 202 2HG LYS 17 3HG LYS 17 -7.784 7.651 -7.948 203 1HD LYS 17 2HD LYS 17 -9.832 8.039 -9.798 204 2HD LYS 17 3HD LYS 17 -9.372 9.705 -9.384 205 1HE LYS 17 2HE LYS 17 -6.898 8.839 -9.729 206 2HE LYS 17 3HE LYS 17 -7.644 7.463 -10.550 207 1HZ LYS 17 3HZ LYS 17 -8.574 10.011 -11.466 208 2HZ LYS 17 1HZ LYS 17 -6.960 9.778 -11.673 209 3HZ LYS 17 2HZ LYS 17 -8.030 8.709 -12.319 210 QB LYS 17 QB LYS 17 -10.341 7.832 -6.986 211 QG LYS 17 QG LYS 17 -8.114 8.412 -7.673 212 QD LYS 17 QD LYS 17 -9.602 8.872 -9.591 213 QE LYS 17 QE LYS 17 -7.271 8.151 -10.140 214 QZ LYS 17 QZ LYS 17 -7.855 9.499 -11.819 215 H ILE 18 HN ILE 18 -8.481 4.550 -5.191 216 HA ILE 18 HA ILE 18 -10.906 4.553 -3.468 217 HB ILE 18 HB ILE 18 -9.139 2.148 -4.038 218 1HG1 ILE 18 2HG1 ILE 18 -11.829 2.939 -5.223 219 2HG1 ILE 18 3HG1 ILE 18 -10.307 2.626 -6.076 220 1HG2 ILE 18 3HG2 ILE 18 -10.264 2.256 -1.789 221 2HG2 ILE 18 1HG2 ILE 18 -11.827 2.396 -2.620 222 3HG2 ILE 18 2HG2 ILE 18 -10.840 0.924 -2.777 223 1HD1 ILE 18 1HD1 ILE 18 -10.402 0.242 -5.270 224 2HD1 ILE 18 2HD1 ILE 18 -12.050 0.578 -4.671 225 3HD1 ILE 18 3HD1 ILE 18 -11.689 0.719 -6.397 226 QG1 ILE 18 QG1 ILE 18 -11.068 2.782 -5.650 227 QG2 ILE 18 QG2 ILE 18 -10.977 1.859 -2.395 228 QD1 ILE 18 QD1 ILE 18 -11.380 0.513 -5.446 229 HA PRO 19 HA PRO 19 -7.603 6.050 -0.825 230 1HB PRO 19 2HB PRO 19 -8.949 6.048 1.620 231 2HB PRO 19 3HB PRO 19 -9.039 7.326 0.380 232 1HG PRO 19 2HG PRO 19 -11.010 5.147 0.975 233 2HG PRO 19 3HG PRO 19 -11.316 6.814 0.414 234 1HD PRO 19 2HD PRO 19 -11.352 4.550 -1.195 235 2HD PRO 19 3HD PRO 19 -11.051 6.201 -1.817 236 QB PRO 19 QB PRO 19 -8.994 6.687 1.000 237 QG PRO 19 QG PRO 19 -11.163 5.980 0.694 238 QD PRO 19 QD PRO 19 -11.201 5.375 -1.506 239 H SER 20 HN SER 20 -5.896 4.793 -0.183 240 HA SER 20 HA SER 20 -6.356 2.556 1.663 241 1HB SER 20 2HB SER 20 -4.730 2.018 -0.831 242 2HB SER 20 3HB SER 20 -5.330 0.869 0.363 243 HG SER 20 HG SER 20 -7.013 2.407 -1.309 244 QB SER 20 QB SER 20 -5.030 1.444 -0.234 245 H PHE 21 HN PHE 21 -4.180 1.584 2.188 246 HA PHE 21 HA PHE 21 -1.990 3.623 2.411 247 1HB PHE 21 2HB PHE 21 -3.289 1.815 4.484 248 2HB PHE 21 3HB PHE 21 -1.714 2.547 4.738 249 HD1 PHE 21 2HD PHE 21 -5.348 3.309 4.171 250 HD2 PHE 21 1HD PHE 21 -1.485 4.888 5.199 251 HE1 PHE 21 2HE PHE 21 -6.377 5.469 4.805 252 HE2 PHE 21 1HE PHE 21 -2.565 6.900 6.188 253 HZ PHE 21 HZ PHE 21 -5.000 7.230 5.902 254 QB PHE 21 QB PHE 21 -2.501 2.181 4.611 255 QR PHE 21 QR PHE 21 -3.943 5.142 5.090 256 OH TYR 22 OH TYR 22 4.734 4.669 -1.480 257 H TYR 22 HN TYR 22 0.099 2.749 2.077 258 HA TYR 22 HA TYR 22 0.426 -0.192 2.013 259 1HB TYR 22 2HB TYR 22 1.410 -0.204 -0.070 260 2HB TYR 22 3HB TYR 22 0.040 0.831 -0.369 261 HD1 TYR 22 HD2 TYR 22 0.649 3.444 -0.031 262 HD2 TYR 22 HD1 TYR 22 3.569 0.348 -0.693 263 HE1 TYR 22 HE2 TYR 22 2.261 5.140 -0.777 264 HE2 TYR 22 HE1 TYR 22 5.180 2.047 -1.468 265 HH TYR 22 HH TYR 22 4.401 5.541 -1.254 266 QB TYR 22 QB TYR 22 0.725 0.313 -0.219 267 QR TYR 22 QR TYR 22 2.915 2.745 -0.742 268 OH TYR 23 OH TYR 23 8.928 -0.293 7.693 269 H TYR 23 HN TYR 23 2.713 -0.775 2.258 270 HA TYR 23 HA TYR 23 4.188 1.214 3.883 271 1HB TYR 23 2HB TYR 23 3.869 -1.182 4.595 272 2HB TYR 23 3HB TYR 23 4.979 -1.622 3.308 273 HD1 TYR 23 HD2 TYR 23 4.605 -0.039 6.587 274 HD2 TYR 23 HD1 TYR 23 7.381 -1.069 3.499 275 HE1 TYR 23 HE2 TYR 23 6.464 0.487 8.117 276 HE2 TYR 23 HE1 TYR 23 9.226 -0.911 5.139 277 HH TYR 23 HH TYR 23 9.659 -0.855 7.429 278 QB TYR 23 QB TYR 23 4.424 -1.402 3.952 279 QR TYR 23 QR TYR 23 6.919 -0.383 5.835 280 H LYS 24 HN LYS 24 5.487 2.642 2.780 281 HA LYS 24 HA LYS 24 6.680 1.802 0.194 282 1HB LYS 24 2HB LYS 24 5.836 4.125 0.572 283 2HB LYS 24 3HB LYS 24 7.064 4.374 1.789 284 1HG LYS 24 2HG LYS 24 8.842 4.266 0.251 285 2HG LYS 24 3HG LYS 24 7.893 3.429 -0.982 286 1HD LYS 24 2HD LYS 24 6.980 5.309 -1.820 287 2HD LYS 24 3HD LYS 24 6.914 6.144 -0.258 288 1HE LYS 24 2HE LYS 24 9.419 6.551 -0.483 289 2HE LYS 24 3HE LYS 24 9.331 5.782 -2.079 290 1HZ LYS 24 3HZ LYS 24 7.586 7.534 -2.549 291 2HZ LYS 24 1HZ LYS 24 8.162 8.323 -1.226 292 3HZ LYS 24 2HZ LYS 24 9.155 8.017 -2.497 293 QB LYS 24 QB LYS 24 6.450 4.249 1.180 294 QG LYS 24 QG LYS 24 8.368 3.848 -0.365 295 QD LYS 24 QD LYS 24 6.947 5.727 -1.039 296 QE LYS 24 QE LYS 24 9.375 6.166 -1.281 297 QZ LYS 24 QZ LYS 24 8.301 7.958 -2.091 298 CH2 TRP 25 CH2 TRP 25 12.240 -4.741 5.191 299 H TRP 25 HN TRP 25 7.926 -0.028 1.053 300 HA TRP 25 HA TRP 25 9.859 0.149 3.085 301 1HB TRP 25 2HB TRP 25 9.237 -1.851 1.887 302 2HB TRP 25 3HB TRP 25 10.108 -1.323 0.440 303 HD1 TRP 25 HD1 TRP 25 12.851 -1.265 0.707 304 HE1 TRP 25 HE1 TRP 25 14.422 -2.702 2.105 305 HE3 TRP 25 HE3 TRP 25 9.439 -3.287 3.906 306 HZ2 TRP 25 HZ2 TRP 25 14.232 -4.490 4.389 307 HZ3 TRP 25 HZ3 TRP 25 10.146 -4.826 5.707 308 HH2 TRP 25 HH2 TRP 25 12.539 -5.451 5.948 309 QB TRP 25 QB TRP 25 9.672 -1.587 1.164 310 H LYS 26 HN LYS 26 9.930 1.566 -0.106 311 HA LYS 26 HA LYS 26 12.674 2.154 -0.304 312 1HB LYS 26 2HB LYS 26 10.473 2.575 -1.888 313 2HB LYS 26 3HB LYS 26 10.717 4.196 -1.240 314 1HG LYS 26 2HG LYS 26 12.013 4.217 -3.202 315 2HG LYS 26 3HG LYS 26 13.193 3.901 -1.935 316 1HD LYS 26 2HD LYS 26 13.804 2.309 -3.490 317 2HD LYS 26 3HD LYS 26 12.709 1.342 -2.491 318 1HE LYS 26 2HE LYS 26 10.873 1.705 -4.126 319 2HE LYS 26 3HE LYS 26 11.905 2.786 -5.074 320 1HZ LYS 26 1HZ LYS 26 12.415 -0.084 -4.663 321 2HZ LYS 26 2HZ LYS 26 11.816 0.609 -6.025 322 3HZ LYS 26 3HZ LYS 26 13.347 0.946 -5.547 323 QB LYS 26 QB LYS 26 10.595 3.385 -1.564 324 QG LYS 26 QG LYS 26 12.603 4.059 -2.569 325 QD LYS 26 QD LYS 26 13.256 1.826 -2.990 326 QE LYS 26 QE LYS 26 11.389 2.245 -4.600 327 QZ LYS 26 QZ LYS 26 12.526 0.490 -5.412 328 H ALA 27 HN ALA 27 10.190 3.608 1.729 329 HA ALA 27 HA ALA 27 12.040 5.751 2.682 330 1HB ALA 27 1HB ALA 27 9.448 6.012 1.746 331 2HB ALA 27 2HB ALA 27 9.189 5.870 3.487 332 3HB ALA 27 3HB ALA 27 10.262 7.130 2.849 333 QB ALA 27 QB ALA 27 9.633 6.337 2.694 334 H LYS 28 HN LYS 28 10.021 3.067 3.565 335 HA LYS 28 HA LYS 28 10.050 1.563 5.159 336 1HB LYS 28 2HB LYS 28 11.920 3.144 6.928 337 2HB LYS 28 3HB LYS 28 11.532 1.420 6.938 338 1HG LYS 28 2HG LYS 28 12.449 1.764 4.353 339 2HG LYS 28 3HG LYS 28 13.362 3.006 5.211 340 1HD LYS 28 2HD LYS 28 13.660 0.720 6.824 341 2HD LYS 28 3HD LYS 28 13.613 0.035 5.196 342 1HE LYS 28 2HE LYS 28 15.402 2.327 6.153 343 2HE LYS 28 3HE LYS 28 15.940 0.652 5.998 344 1HZ LYS 28 3HZ LYS 28 14.802 1.988 3.658 345 2HZ LYS 28 1HZ LYS 28 16.343 2.339 4.110 346 3HZ LYS 28 2HZ LYS 28 15.932 0.794 3.734 347 QB LYS 28 QB LYS 28 11.726 2.282 6.933 348 QG LYS 28 QG LYS 28 12.905 2.385 4.782 349 QD LYS 28 QD LYS 28 13.636 0.377 6.010 350 QE LYS 28 QE LYS 28 15.671 1.489 6.075 351 QZ LYS 28 QZ LYS 28 15.692 1.707 3.834 352 H GLN 29 HN GLN 29 7.945 3.153 4.862 353 HA GLN 29 HA GLN 29 6.741 3.068 7.455 354 1HB GLN 29 2HB GLN 29 7.656 5.728 6.353 355 2HB GLN 29 3HB GLN 29 6.010 5.655 6.971 356 1HG GLN 29 2HG GLN 29 7.135 4.495 9.080 357 2HG GLN 29 3HG GLN 29 8.580 5.335 8.503 358 1HE2 GLN 29 2HE2 GLN 29 6.933 8.612 8.942 359 2HE2 GLN 29 1HE2 GLN 29 7.871 7.774 7.717 360 QB GLN 29 QB GLN 29 6.833 5.692 6.662 361 QG GLN 29 QG GLN 29 7.857 4.915 8.792 362 QE2 GLN 29 QE2 GLN 29 7.402 8.193 8.329 363 H CYS 30 HN CYS 30 4.459 3.758 7.364 364 HA CYS 30 HA CYS 30 3.221 2.739 4.906 365 1HB CYS 30 2HB CYS 30 2.089 3.633 7.546 366 2HB CYS 30 3HB CYS 30 1.165 2.857 6.235 367 QB CYS 30 QB CYS 30 1.627 3.245 6.890 368 H LEU 31 HN LEU 31 2.189 4.039 3.402 369 HA LEU 31 HA LEU 31 1.826 6.902 4.116 370 1HB LEU 31 2HB LEU 31 3.001 5.883 1.513 371 2HB LEU 31 3HB LEU 31 2.675 7.567 1.921 372 HG LEU 31 HG LEU 31 4.744 5.732 3.176 373 1HD1 LEU 31 2HD1 LEU 31 4.942 7.108 0.811 374 2HD1 LEU 31 3HD1 LEU 31 5.647 8.274 1.932 375 3HD1 LEU 31 1HD1 LEU 31 6.295 6.634 1.863 376 1HD2 LEU 31 3HD2 LEU 31 3.638 8.258 4.243 377 2HD2 LEU 31 1HD2 LEU 31 4.659 7.024 5.017 378 3HD2 LEU 31 2HD2 LEU 31 5.397 8.293 4.077 379 QB LEU 31 QB LEU 31 2.838 6.725 1.717 380 QD1 LEU 31 QD1 LEU 31 5.628 7.339 1.535 381 QD2 LEU 31 QD2 LEU 31 4.565 7.858 4.446 382 QQD LEU 31 QQD LEU 31 5.096 7.598 2.991 383 HA PRO 32 HA PRO 32 -2.207 5.997 2.474 384 1HB PRO 32 2HB PRO 32 -3.123 8.649 2.296 385 2HB PRO 32 3HB PRO 32 -3.218 7.611 3.718 386 1HG PRO 32 2HG PRO 32 -1.380 9.875 3.188 387 2HG PRO 32 3HG PRO 32 -1.849 9.153 4.750 388 1HD PRO 32 2HD PRO 32 0.593 8.768 3.342 389 2HD PRO 32 3HD PRO 32 0.010 7.862 4.773 390 QB PRO 32 QB PRO 32 -3.170 8.130 3.007 391 QG PRO 32 QG PRO 32 -1.615 9.514 3.969 392 QD PRO 32 QD PRO 32 0.302 8.315 4.057 393 H PHE 33 HN PHE 33 -3.316 6.134 0.445 394 HA PHE 33 HA PHE 33 -2.528 7.999 -1.600 395 1HB PHE 33 2HB PHE 33 -1.410 6.520 -3.094 396 2HB PHE 33 3HB PHE 33 -0.567 6.354 -1.575 397 HD1 PHE 33 2HD PHE 33 -1.464 4.400 0.028 398 HD2 PHE 33 1HD PHE 33 -2.236 4.612 -4.202 399 HE1 PHE 33 2HE PHE 33 -2.027 1.980 -0.024 400 HE2 PHE 33 1HE PHE 33 -2.858 2.249 -4.212 401 HZ PHE 33 HZ PHE 33 -2.752 0.910 -2.042 402 QB PHE 33 QB PHE 33 -0.989 6.437 -2.335 403 QR PHE 33 QR PHE 33 -2.146 3.310 -2.103 404 H ASP 34 HN ASP 34 -3.431 6.916 -3.822 405 HA ASP 34 HA ASP 34 -6.203 5.956 -3.229 406 1HB ASP 34 2HB ASP 34 -5.097 8.032 -5.099 407 2HB ASP 34 3HB ASP 34 -6.359 6.961 -5.721 408 QB ASP 34 QB ASP 34 -5.728 7.496 -5.410 409 OH TYR 35 OH TYR 35 -5.289 -3.621 -6.942 410 H TYR 35 HN TYR 35 -6.279 3.843 -3.640 411 HA TYR 35 HA TYR 35 -4.514 2.573 -5.613 412 1HB TYR 35 2HB TYR 35 -5.103 1.406 -3.480 413 2HB TYR 35 3HB TYR 35 -6.807 1.507 -3.899 414 HD1 TYR 35 HD1 TYR 35 -3.806 0.520 -5.908 415 HD2 TYR 35 HD2 TYR 35 -7.504 -0.781 -4.169 416 HE1 TYR 35 HE1 TYR 35 -3.566 -1.618 -7.083 417 HE2 TYR 35 HE2 TYR 35 -7.128 -3.046 -5.170 418 HH TYR 35 HH TYR 35 -4.635 -3.571 -7.641 419 QB TYR 35 QB TYR 35 -5.955 1.457 -3.689 420 QR TYR 35 QR TYR 35 -5.501 -1.231 -5.583 421 H SER 36 HN SER 36 -5.317 1.438 -7.492 422 HA SER 36 HA SER 36 -7.757 2.619 -8.606 423 1HB SER 36 2HB SER 36 -7.223 1.408 -10.588 424 2HB SER 36 3HB SER 36 -5.780 2.255 -10.033 425 HG SER 36 HG SER 36 -4.924 0.332 -9.350 426 QB SER 36 QB SER 36 -6.501 1.832 -10.310 427 H GLY 37 HN GLY 37 -6.644 -0.738 -8.331 428 1HA GLY 37 1HA GLY 37 -8.586 -2.116 -6.898 429 2HA GLY 37 2HA GLY 37 -9.415 -1.671 -8.387 430 QA GLY 37 QA GLY 37 -9.001 -1.893 -7.642 431 H CYS 38 HN CYS 38 -6.671 -1.802 -9.863 432 HA CYS 38 HA CYS 38 -6.586 -4.762 -10.175 433 1HB CYS 38 2HB CYS 38 -6.416 -3.388 -12.719 434 2HB CYS 38 3HB CYS 38 -7.468 -4.699 -12.224 435 QB CYS 38 QB CYS 38 -6.942 -4.044 -12.472 436 H GLY 39 HN GLY 39 -4.568 -5.522 -10.931 437 1HA GLY 39 1HA GLY 39 -2.274 -5.512 -11.066 438 2HA GLY 39 2HA GLY 39 -2.394 -3.908 -11.790 439 QA GLY 39 QA GLY 39 -2.334 -4.710 -11.428 440 H GLY 40 HN GLY 40 -3.275 -5.117 -8.540 441 1HA GLY 40 1HA GLY 40 -1.581 -3.019 -7.237 442 2HA GLY 40 2HA GLY 40 -2.825 -3.924 -6.443 443 QA GLY 40 QA GLY 40 -2.203 -3.471 -6.840 444 H ASN 41 HN ASN 41 -1.419 -4.599 -4.822 445 HA ASN 41 HA ASN 41 -0.050 -7.083 -5.350 446 1HB ASN 41 2HB ASN 41 1.987 -6.326 -4.327 447 2HB ASN 41 3HB ASN 41 1.739 -5.455 -5.828 448 1HD2 ASN 41 2HD2 ASN 41 2.607 -2.515 -4.052 449 2HD2 ASN 41 1HD2 ASN 41 3.074 -3.771 -5.168 450 QB ASN 41 QB ASN 41 1.863 -5.890 -5.078 451 QD2 ASN 41 QD2 ASN 41 2.841 -3.143 -4.610 452 H ALA 42 HN ALA 42 1.085 -7.493 -2.907 453 HA ALA 42 HA ALA 42 -1.375 -7.518 -1.233 454 1HB ALA 42 3HB ALA 42 0.099 -9.572 -1.726 455 2HB ALA 42 1HB ALA 42 1.273 -8.849 -0.618 456 3HB ALA 42 2HB ALA 42 -0.341 -9.276 -0.032 457 QB ALA 42 QB ALA 42 0.343 -9.233 -0.792 458 H ASN 43 HN ASN 43 0.189 -4.968 -1.608 459 HA ASN 43 HA ASN 43 0.892 -4.438 1.247 460 1HB ASN 43 2HB ASN 43 2.743 -4.342 -0.639 461 2HB ASN 43 3HB ASN 43 1.939 -2.872 -1.147 462 1HD2 ASN 43 2HD2 ASN 43 4.553 -1.565 0.986 463 2HD2 ASN 43 1HD2 ASN 43 4.358 -2.218 -0.591 464 QB ASN 43 QB ASN 43 2.341 -3.607 -0.893 465 QD2 ASN 43 QD2 ASN 43 4.456 -1.892 0.197 466 NH1 ARG 44 NH2 ARG 44 -2.244 -0.315 -4.134 467 NH2 ARG 44 NH1 ARG 44 -0.899 -2.130 -4.268 468 H ARG 44 HN ARG 44 -1.613 -4.355 1.157 469 HA ARG 44 HA ARG 44 -2.318 -1.512 0.789 470 1HB ARG 44 2HB ARG 44 -3.157 -3.476 -1.023 471 2HB ARG 44 3HB ARG 44 -4.558 -3.237 0.004 472 1HG ARG 44 2HG ARG 44 -4.981 -1.137 -0.657 473 2HG ARG 44 3HG ARG 44 -3.283 -0.686 -0.892 474 1HD ARG 44 2HD ARG 44 -4.941 -2.507 -2.682 475 2HD ARG 44 3HD ARG 44 -4.499 -0.854 -3.001 476 HE ARG 44 HE ARG 44 -2.679 -3.250 -2.904 477 1HH1 ARG 44 2HH2 ARG 44 -3.082 0.146 -3.831 478 2HH1 ARG 44 1HH2 ARG 44 -1.644 0.123 -4.827 479 1HH2 ARG 44 2HH1 ARG 44 -0.449 -2.888 -3.761 480 2HH2 ARG 44 1HH1 ARG 44 -0.409 -1.615 -4.991 481 QB ARG 44 QB ARG 44 -3.857 -3.356 -0.510 482 QG ARG 44 QG ARG 44 -4.132 -0.912 -0.774 483 QD ARG 44 QD ARG 44 -4.720 -1.681 -2.841 484 QH1 ARG 44 QH2 ARG 44 -2.363 0.134 -4.329 485 QH2 ARG 44 QH1 ARG 44 -0.429 -2.251 -4.376 486 H PHE 45 HN PHE 45 -3.463 -0.760 2.358 487 HA PHE 45 HA PHE 45 -4.814 -2.509 4.359 488 1HB PHE 45 2HB PHE 45 -2.770 -0.284 4.765 489 2HB PHE 45 3HB PHE 45 -3.649 -1.112 6.039 490 HD1 PHE 45 2HD PHE 45 -3.169 -3.440 6.563 491 HD2 PHE 45 1HD PHE 45 -0.911 -1.427 3.524 492 HE1 PHE 45 2HE PHE 45 -1.440 -5.190 6.720 493 HE2 PHE 45 1HE PHE 45 0.834 -3.179 3.663 494 HZ PHE 45 HZ PHE 45 0.571 -5.049 5.282 495 QB PHE 45 QB PHE 45 -3.210 -0.698 5.402 496 QR PHE 45 QR PHE 45 -1.172 -3.309 5.118 497 H LYS 46 HN LYS 46 -6.576 -1.518 5.275 498 HA LYS 46 HA LYS 46 -7.643 0.930 3.976 499 1HB LYS 46 2HB LYS 46 -8.684 -1.250 5.782 500 2HB LYS 46 3HB LYS 46 -9.550 0.274 5.705 501 1HG LYS 46 2HG LYS 46 -8.771 -0.998 3.074 502 2HG LYS 46 3HG LYS 46 -10.001 -1.800 4.043 503 1HD LYS 46 2HD LYS 46 -11.070 0.671 4.188 504 2HD LYS 46 3HD LYS 46 -10.033 0.990 2.802 505 1HE LYS 46 2HE LYS 46 -12.296 0.376 2.103 506 2HE LYS 46 3HE LYS 46 -11.151 -0.853 1.547 507 1HZ LYS 46 2HZ LYS 46 -12.232 -1.425 4.124 508 2HZ LYS 46 3HZ LYS 46 -13.410 -1.292 2.987 509 3HZ LYS 46 1HZ LYS 46 -12.186 -2.371 2.781 510 QB LYS 46 QB LYS 46 -9.117 -0.488 5.744 511 QG LYS 46 QG LYS 46 -9.386 -1.399 3.559 512 QD LYS 46 QD LYS 46 -10.552 0.831 3.495 513 QE LYS 46 QE LYS 46 -11.724 -0.238 1.825 514 QZ LYS 46 QZ LYS 46 -12.610 -1.696 3.297 515 H THR 47 HN THR 47 -5.665 0.182 6.699 516 HA THR 47 HA THR 47 -6.165 2.899 7.769 517 HB THR 47 HB THR 47 -6.149 2.107 10.047 518 HG1 THR 47 1HG THR 47 -6.358 -0.320 10.231 519 1HG2 THR 47 1HG2 THR 47 -8.361 2.134 8.911 520 2HG2 THR 47 2HG2 THR 47 -8.167 0.415 8.498 521 3HG2 THR 47 3HG2 THR 47 -8.271 0.912 10.193 522 QG2 THR 47 QG2 THR 47 -8.266 1.154 9.201 523 H ILE 48 HN ILE 48 -4.342 3.837 8.714 524 HA ILE 48 HA ILE 48 -1.787 2.877 7.849 525 HB ILE 48 HB ILE 48 -2.508 5.302 8.488 526 1HG1 ILE 48 2HG1 ILE 48 -0.202 5.786 9.604 527 2HG1 ILE 48 3HG1 ILE 48 0.137 4.068 9.342 528 1HG2 ILE 48 2HG2 ILE 48 -3.356 4.554 10.802 529 2HG2 ILE 48 3HG2 ILE 48 -1.640 4.496 11.277 530 3HG2 ILE 48 1HG2 ILE 48 -2.361 6.018 10.722 531 1HD1 ILE 48 2HD1 ILE 48 -0.678 6.087 7.208 532 2HD1 ILE 48 3HD1 ILE 48 0.962 5.549 7.544 533 3HD1 ILE 48 1HD1 ILE 48 -0.239 4.381 6.936 534 QG1 ILE 48 QG1 ILE 48 -0.033 4.927 9.473 535 QG2 ILE 48 QG2 ILE 48 -2.452 5.023 10.933 536 QD1 ILE 48 QD1 ILE 48 0.015 5.339 7.230 537 H GLU 49 HN GLU 49 -3.750 2.297 10.753 538 HA GLU 49 HA GLU 49 -1.515 1.283 12.223 539 1HB GLU 49 2HB GLU 49 -4.225 1.870 12.889 540 2HB GLU 49 3HB GLU 49 -4.109 0.121 13.022 541 1HG GLU 49 2HG GLU 49 -1.767 1.052 14.333 542 2HG GLU 49 3HG GLU 49 -3.038 2.198 14.784 543 QB GLU 49 QB GLU 49 -4.167 0.995 12.956 544 QG GLU 49 QG GLU 49 -2.402 1.625 14.559 545 H GLU 50 HN GLU 50 -3.958 -0.319 10.092 546 HA GLU 50 HA GLU 50 -3.062 -2.951 10.766 547 1HB GLU 50 2HB GLU 50 -5.167 -2.255 9.530 548 2HB GLU 50 3HB GLU 50 -4.187 -2.014 8.091 549 1HG GLU 50 2HG GLU 50 -3.616 -4.561 8.358 550 2HG GLU 50 3HG GLU 50 -4.832 -4.568 9.629 551 QB GLU 50 QB GLU 50 -4.677 -2.135 8.811 552 QG GLU 50 QG GLU 50 -4.224 -4.564 8.994 553 H CYS 51 HN CYS 51 -2.014 -0.661 8.190 554 HA CYS 51 HA CYS 51 0.105 -2.263 7.174 555 1HB CYS 51 2HB CYS 51 -0.672 -0.305 5.970 556 2HB CYS 51 3HB CYS 51 -0.158 0.760 7.268 557 QB CYS 51 QB CYS 51 -0.415 0.227 6.619 558 NH1 ARG 52 NH2 ARG 52 2.469 3.221 15.110 559 NH2 ARG 52 NH1 ARG 52 0.341 4.090 14.793 560 H ARG 52 HN ARG 52 0.315 0.352 9.675 561 HA ARG 52 HA ARG 52 3.074 0.017 10.130 562 1HB ARG 52 2HB ARG 52 1.566 1.964 10.630 563 2HB ARG 52 3HB ARG 52 1.006 1.110 12.078 564 1HG ARG 52 2HG ARG 52 3.175 1.287 13.084 565 2HG ARG 52 3HG ARG 52 3.960 1.605 11.524 566 1HD ARG 52 2HD ARG 52 3.850 3.693 12.816 567 2HD ARG 52 3HD ARG 52 2.979 3.772 11.300 568 HE ARG 52 HE ARG 52 0.994 4.068 12.367 569 1HH1 ARG 52 2HH2 ARG 52 3.324 2.859 14.713 570 2HH1 ARG 52 1HH2 ARG 52 2.336 3.145 16.108 571 1HH2 ARG 52 2HH1 ARG 52 -0.396 4.408 14.181 572 2HH2 ARG 52 1HH1 ARG 52 0.150 4.041 15.783 573 QB ARG 52 QB ARG 52 1.286 1.537 11.354 574 QG ARG 52 QG ARG 52 3.567 1.446 12.304 575 QD ARG 52 QD ARG 52 3.414 3.733 12.058 576 QH1 ARG 52 QH2 ARG 52 2.830 3.002 15.411 577 QH2 ARG 52 QH1 ARG 52 -0.123 4.225 14.982 578 NH1 ARG 53 NH2 ARG 53 2.600 -5.182 15.748 579 NH2 ARG 53 NH1 ARG 53 1.877 -6.844 17.176 580 H ARG 53 HN ARG 53 0.254 -1.625 11.596 581 HA ARG 53 HA ARG 53 1.758 -2.966 13.627 582 1HB ARG 53 2HB ARG 53 -0.744 -2.585 13.632 583 2HB ARG 53 3HB ARG 53 -0.873 -3.739 12.292 584 1HG ARG 53 2HG ARG 53 -1.421 -4.992 14.193 585 2HG ARG 53 3HG ARG 53 0.261 -5.432 13.902 586 1HD ARG 53 2HD ARG 53 0.676 -3.319 15.578 587 2HD ARG 53 3HD ARG 53 -0.970 -3.663 16.031 588 HE ARG 53 HE ARG 53 -0.323 -5.623 17.063 589 1HH1 ARG 53 2HH2 ARG 53 2.548 -4.174 15.545 590 2HH1 ARG 53 1HH2 ARG 53 3.472 -5.636 15.532 591 1HH2 ARG 53 2HH1 ARG 53 1.154 -7.273 17.735 592 2HH2 ARG 53 1HH1 ARG 53 2.809 -7.228 17.211 593 QB ARG 53 QB ARG 53 -0.809 -3.162 12.962 594 QG ARG 53 QG ARG 53 -0.580 -5.212 14.048 595 QD ARG 53 QD ARG 53 -0.147 -3.491 15.804 596 QH1 ARG 53 QH2 ARG 53 3.010 -4.905 15.539 597 QH2 ARG 53 QH1 ARG 53 1.981 -7.250 17.473 598 H THR 54 HN THR 54 0.919 -3.740 10.211 599 HA THR 54 HA THR 54 1.913 -6.444 10.345 600 HB THR 54 HB THR 54 1.533 -4.532 8.006 601 HG1 THR 54 1HG THR 54 -0.107 -6.145 9.499 602 1HG2 THR 54 2HG2 THR 54 3.055 -6.824 7.844 603 2HG2 THR 54 3HG2 THR 54 1.442 -7.485 7.606 604 3HG2 THR 54 1HG2 THR 54 2.053 -6.190 6.546 605 QG2 THR 54 QG2 THR 54 2.184 -6.833 7.332 606 H CYS 55 HN CYS 55 3.379 -3.327 9.252 607 HA CYS 55 HA CYS 55 5.884 -4.808 8.793 608 1HB CYS 55 2HB CYS 55 4.874 -2.547 7.558 609 2HB CYS 55 3HB CYS 55 6.241 -1.982 8.519 610 QB CYS 55 QB CYS 55 5.557 -2.264 8.039 611 H VAL 56 HN VAL 56 4.915 -2.055 10.823 612 HA VAL 56 HA VAL 56 7.431 -2.082 12.350 613 HB VAL 56 HB VAL 56 5.053 -0.161 12.472 614 1HG1 VAL 56 2HG1 VAL 56 7.804 -0.074 13.693 615 2HG1 VAL 56 3HG1 VAL 56 6.920 1.418 13.319 616 3HG1 VAL 56 1HG1 VAL 56 6.208 0.273 14.423 617 1HG2 VAL 56 3HG2 VAL 56 7.336 -0.281 10.551 618 2HG2 VAL 56 1HG2 VAL 56 5.667 0.287 10.350 619 3HG2 VAL 56 2HG2 VAL 56 6.853 1.311 11.150 620 QG1 VAL 56 QG1 VAL 56 6.978 0.539 13.812 621 QG2 VAL 56 QG2 VAL 56 6.619 0.439 10.683 622 QQG VAL 56 QQG VAL 56 6.798 0.489 12.248 623 H GLY 57 HN GLY 57 6.588 -1.519 14.894 624 1HA GLY 57 1HA GLY 57 5.073 -3.898 15.764 625 2HA GLY 57 2HA GLY 57 5.935 -2.731 16.775 626 QA GLY 57 QA GLY 57 5.504 -3.315 16.269 Start of MODEL 20 Raw file had 626 H/Q atoms Start of MODEL 20 1 H ALA 1 HN ALA 1 8.739 -8.188 9.947 2 HA ALA 1 HA ALA 1 7.278 -6.634 8.888 3 1HB ALA 1 1HB ALA 1 9.014 -4.936 8.381 4 2HB ALA 1 2HB ALA 1 9.681 -5.993 7.114 5 3HB ALA 1 3HB ALA 1 8.051 -5.311 6.939 6 QB ALA 1 QB ALA 1 8.916 -5.413 7.478 7 H ALA 2 HN ALA 2 6.123 -7.073 6.772 8 HA ALA 2 HA ALA 2 6.265 -9.892 6.227 9 1HB ALA 2 3HB ALA 2 4.154 -8.622 6.268 10 2HB ALA 2 1HB ALA 2 4.659 -7.729 4.820 11 3HB ALA 2 2HB ALA 2 4.389 -9.479 4.735 12 QB ALA 2 QB ALA 2 4.401 -8.610 5.274 13 H LYS 3 HN LYS 3 6.321 -10.846 4.055 14 HA LYS 3 HA LYS 3 8.700 -10.202 2.650 15 1HB LYS 3 2HB LYS 3 6.923 -12.375 2.677 16 2HB LYS 3 3HB LYS 3 6.703 -11.685 1.071 17 1HG LYS 3 2HG LYS 3 8.419 -13.239 0.797 18 2HG LYS 3 3HG LYS 3 9.281 -11.700 0.876 19 1HD LYS 3 2HD LYS 3 9.590 -12.226 3.421 20 2HD LYS 3 3HD LYS 3 8.944 -13.832 3.037 21 1HE LYS 3 2HE LYS 3 10.801 -14.059 1.289 22 2HE LYS 3 3HE LYS 3 11.479 -12.541 1.899 23 1HZ LYS 3 2HZ LYS 3 11.719 -13.631 4.060 24 2HZ LYS 3 3HZ LYS 3 11.140 -15.040 3.433 25 3HZ LYS 3 1HZ LYS 3 12.551 -14.413 2.880 26 QB LYS 3 QB LYS 3 6.813 -12.030 1.874 27 QG LYS 3 QG LYS 3 8.850 -12.469 0.837 28 QD LYS 3 QD LYS 3 9.267 -13.029 3.229 29 QE LYS 3 QE LYS 3 11.140 -13.300 1.594 30 QZ LYS 3 QZ LYS 3 11.803 -14.361 3.458 31 OH TYR 4 OH TYR 4 0.814 -8.340 5.230 32 H TYR 4 HN TYR 4 5.244 -9.750 1.778 33 HA TYR 4 HA TYR 4 5.672 -8.250 -0.568 34 1HB TYR 4 2HB TYR 4 3.334 -7.522 -0.257 35 2HB TYR 4 3HB TYR 4 3.590 -9.267 -0.146 36 HD1 TYR 4 HD2 TYR 4 3.122 -6.180 1.983 37 HD2 TYR 4 HD1 TYR 4 2.559 -10.442 1.596 38 HE1 TYR 4 HE2 TYR 4 1.935 -6.230 4.143 39 HE2 TYR 4 HE1 TYR 4 1.258 -10.455 3.692 40 HH TYR 4 HH TYR 4 0.385 -9.178 5.421 41 QB TYR 4 QB TYR 4 3.462 -8.394 -0.201 42 QR TYR 4 QR TYR 4 2.218 -8.327 2.853 43 H CYS 5 HN CYS 5 6.043 -7.270 2.724 44 HA CYS 5 HA CYS 5 5.313 -4.561 2.542 45 1HB CYS 5 2HB CYS 5 6.068 -5.993 4.585 46 2HB CYS 5 3HB CYS 5 7.684 -5.365 4.242 47 QB CYS 5 QB CYS 5 6.876 -5.679 4.413 48 H LYS 6 HN LYS 6 8.013 -6.164 1.140 49 HA LYS 6 HA LYS 6 9.770 -3.902 0.764 50 1HB LYS 6 2HB LYS 6 9.669 -6.749 -0.084 51 2HB LYS 6 3HB LYS 6 10.250 -5.669 -1.330 52 1HG LYS 6 2HG LYS 6 12.159 -6.394 -0.127 53 2HG LYS 6 3HG LYS 6 11.896 -4.681 0.148 54 1HD LYS 6 2HD LYS 6 12.570 -5.554 2.193 55 2HD LYS 6 3HD LYS 6 10.846 -5.257 2.405 56 1HE LYS 6 2HE LYS 6 11.937 -8.003 1.622 57 2HE LYS 6 3HE LYS 6 11.978 -7.448 3.298 58 1HZ LYS 6 1HZ LYS 6 9.556 -7.218 3.245 59 2HZ LYS 6 2HZ LYS 6 9.507 -7.791 1.705 60 3HZ LYS 6 3HZ LYS 6 10.054 -8.717 2.927 61 QB LYS 6 QB LYS 6 9.960 -6.209 -0.707 62 QG LYS 6 QG LYS 6 12.028 -5.538 0.011 63 QD LYS 6 QD LYS 6 11.708 -5.406 2.299 64 QE LYS 6 QE LYS 6 11.957 -7.725 2.460 65 QZ LYS 6 QZ LYS 6 9.705 -7.909 2.626 66 H LEU 7 HN LEU 7 6.799 -4.940 -0.877 67 HA LEU 7 HA LEU 7 7.564 -4.166 -3.462 68 1HB LEU 7 2HB LEU 7 4.844 -4.338 -2.172 69 2HB LEU 7 3HB LEU 7 5.094 -4.223 -3.911 70 HG LEU 7 HG LEU 7 6.367 -6.485 -2.306 71 1HD1 LEU 7 1HD1 LEU 7 3.796 -6.316 -2.017 72 2HD1 LEU 7 2HD1 LEU 7 3.746 -6.662 -3.745 73 3HD1 LEU 7 3HD1 LEU 7 4.452 -7.850 -2.654 74 1HD2 LEU 7 3HD2 LEU 7 5.474 -6.233 -5.219 75 2HD2 LEU 7 1HD2 LEU 7 7.160 -6.173 -4.647 76 3HD2 LEU 7 2HD2 LEU 7 6.206 -7.665 -4.468 77 QB LEU 7 QB LEU 7 4.969 -4.281 -3.041 78 QD1 LEU 7 QD1 LEU 7 3.998 -6.943 -2.805 79 QD2 LEU 7 QD2 LEU 7 6.280 -6.690 -4.778 80 QQD LEU 7 QQD LEU 7 5.139 -6.817 -3.792 81 HA PRO 8 HA PRO 8 7.331 0.261 -2.979 82 1HB PRO 8 2HB PRO 8 7.533 1.102 -5.575 83 2HB PRO 8 3HB PRO 8 8.852 0.210 -4.767 84 1HG PRO 8 2HG PRO 8 6.674 -0.942 -6.540 85 2HG PRO 8 3HG PRO 8 8.442 -1.144 -6.726 86 1HD PRO 8 2HD PRO 8 6.919 -3.002 -5.426 87 2HD PRO 8 3HD PRO 8 8.559 -2.579 -4.837 88 QB PRO 8 QB PRO 8 8.192 0.656 -5.171 89 QG PRO 8 QG PRO 8 7.558 -1.043 -6.633 90 QD PRO 8 QD PRO 8 7.739 -2.791 -5.131 91 H LEU 9 HN LEU 9 6.121 2.213 -4.173 92 HA LEU 9 HA LEU 9 3.327 1.931 -3.818 93 1HB LEU 9 2HB LEU 9 4.463 4.125 -3.770 94 2HB LEU 9 3HB LEU 9 4.869 3.970 -5.472 95 HG LEU 9 HG LEU 9 2.575 4.107 -6.159 96 1HD1 LEU 9 2HD1 LEU 9 1.756 4.098 -3.217 97 2HD1 LEU 9 3HD1 LEU 9 0.700 4.505 -4.559 98 3HD1 LEU 9 1HD1 LEU 9 1.331 2.874 -4.409 99 1HD2 LEU 9 2HD2 LEU 9 3.755 6.218 -5.658 100 2HD2 LEU 9 3HD2 LEU 9 2.006 6.363 -5.396 101 3HD2 LEU 9 1HD2 LEU 9 3.097 6.192 -4.004 102 QB LEU 9 QB LEU 9 4.666 4.048 -4.621 103 QD1 LEU 9 QD1 LEU 9 1.262 3.825 -4.062 104 QD2 LEU 9 QD2 LEU 9 2.953 6.257 -5.019 105 QQD LEU 9 QQD LEU 9 2.107 5.041 -4.540 106 NH1 ARG 10 NH2 ARG 10 1.502 -4.477 -10.242 107 NH2 ARG 10 NH1 ARG 10 1.292 -3.348 -12.259 108 H ARG 10 HN ARG 10 1.913 0.969 -5.048 109 HA ARG 10 HA ARG 10 2.353 0.565 -7.966 110 1HB ARG 10 2HB ARG 10 3.215 -1.344 -6.541 111 2HB ARG 10 3HB ARG 10 1.615 -1.474 -5.842 112 1HG ARG 10 2HG ARG 10 1.693 -3.166 -7.515 113 2HG ARG 10 3HG ARG 10 0.729 -1.872 -8.225 114 1HD ARG 10 2HD ARG 10 3.259 -1.160 -9.071 115 2HD ARG 10 3HD ARG 10 3.460 -2.897 -8.963 116 HE ARG 10 HE ARG 10 2.026 -1.367 -10.930 117 1HH1 ARG 10 2HH2 ARG 10 1.471 -4.417 -9.231 118 2HH1 ARG 10 1HH2 ARG 10 1.208 -5.343 -10.662 119 1HH2 ARG 10 2HH1 ARG 10 1.379 -2.507 -12.809 120 2HH2 ARG 10 1HH1 ARG 10 0.958 -4.183 -12.716 121 QB ARG 10 QB ARG 10 2.415 -1.409 -6.191 122 QG ARG 10 QG ARG 10 1.211 -2.519 -7.870 123 QD ARG 10 QD ARG 10 3.360 -2.029 -9.017 124 QH1 ARG 10 QH2 ARG 10 1.340 -4.880 -9.946 125 QH2 ARG 10 QH1 ARG 10 1.169 -3.345 -12.762 126 H ILE 11 HN ILE 11 0.856 2.361 -8.003 127 HA ILE 11 HA ILE 11 -1.762 2.289 -6.872 128 HB ILE 11 HB ILE 11 -0.721 3.729 -9.349 129 1HG1 ILE 11 2HG1 ILE 11 -1.064 4.623 -6.451 130 2HG1 ILE 11 3HG1 ILE 11 0.477 4.307 -7.257 131 1HG2 ILE 11 2HG2 ILE 11 -3.284 4.092 -7.740 132 2HG2 ILE 11 3HG2 ILE 11 -2.718 5.224 -8.980 133 3HG2 ILE 11 1HG2 ILE 11 -3.171 3.591 -9.431 134 1HD1 ILE 11 2HD1 ILE 11 -0.090 6.158 -8.894 135 2HD1 ILE 11 3HD1 ILE 11 -1.439 6.589 -7.808 136 3HD1 ILE 11 1HD1 ILE 11 0.223 6.650 -7.217 137 QG1 ILE 11 QG1 ILE 11 -0.293 4.465 -6.854 138 QG2 ILE 11 QG2 ILE 11 -3.058 4.302 -8.717 139 QD1 ILE 11 QD1 ILE 11 -0.435 6.465 -7.973 140 H GLY 12 HN GLY 12 -0.386 1.017 -9.869 141 1HA GLY 12 1HA GLY 12 -1.080 -0.813 -11.052 142 2HA GLY 12 2HA GLY 12 -2.625 -0.875 -10.177 143 QA GLY 12 QA GLY 12 -1.853 -0.844 -10.615 144 HA PRO 13 HA PRO 13 -2.720 1.425 -14.338 145 1HB PRO 13 2HB PRO 13 -3.284 -0.409 -16.239 146 2HB PRO 13 3HB PRO 13 -1.656 -0.295 -15.512 147 1HG PRO 13 2HG PRO 13 -3.897 -2.174 -14.686 148 2HG PRO 13 3HG PRO 13 -2.220 -2.614 -15.121 149 1HD PRO 13 2HD PRO 13 -2.996 -2.211 -12.528 150 2HD PRO 13 3HD PRO 13 -1.373 -1.725 -13.103 151 QB PRO 13 QB PRO 13 -2.470 -0.352 -15.875 152 QG PRO 13 QG PRO 13 -3.059 -2.394 -14.903 153 QD PRO 13 QD PRO 13 -2.184 -1.968 -12.816 154 H CYS 14 HN CYS 14 -5.171 0.030 -12.341 155 HA CYS 14 HA CYS 14 -7.283 0.322 -14.348 156 1HB CYS 14 2HB CYS 14 -7.105 -0.429 -11.493 157 2HB CYS 14 3HB CYS 14 -8.507 0.467 -11.992 158 QB CYS 14 QB CYS 14 -7.806 0.019 -11.742 159 H LYS 15 HN LYS 15 -9.036 1.898 -13.919 160 HA LYS 15 HA LYS 15 -7.736 4.586 -13.717 161 1HB LYS 15 2HB LYS 15 -8.579 3.569 -15.968 162 2HB LYS 15 3HB LYS 15 -10.195 3.977 -15.371 163 1HG LYS 15 2HG LYS 15 -9.286 6.353 -14.998 164 2HG LYS 15 3HG LYS 15 -7.805 5.814 -15.833 165 1HD LYS 15 2HD LYS 15 -9.365 5.072 -17.764 166 2HD LYS 15 3HD LYS 15 -10.636 6.000 -16.967 167 1HE LYS 15 2HE LYS 15 -7.966 7.025 -18.072 168 2HE LYS 15 3HE LYS 15 -9.573 7.320 -18.747 169 1HZ LYS 15 1HZ LYS 15 -10.109 8.556 -16.741 170 2HZ LYS 15 2HZ LYS 15 -8.593 8.304 -16.148 171 3HZ LYS 15 3HZ LYS 15 -8.804 9.199 -17.508 172 QB LYS 15 QB LYS 15 -9.387 3.773 -15.669 173 QG LYS 15 QG LYS 15 -8.546 6.084 -15.416 174 QD LYS 15 QD LYS 15 -10.000 5.536 -17.365 175 QE LYS 15 QE LYS 15 -8.770 7.173 -18.410 176 QZ LYS 15 QZ LYS 15 -9.169 8.686 -16.799 177 NH1 ARG 16 NH2 ARG 16 -10.832 -2.510 -10.941 178 NH2 ARG 16 NH1 ARG 16 -12.859 -2.637 -9.831 179 H ARG 16 HN ARG 16 -8.483 3.494 -11.473 180 HA ARG 16 HA ARG 16 -11.118 4.562 -10.602 181 1HB ARG 16 2HB ARG 16 -9.529 2.119 -9.868 182 2HB ARG 16 3HB ARG 16 -10.955 2.592 -8.934 183 1HG ARG 16 2HG ARG 16 -12.437 1.961 -10.638 184 2HG ARG 16 3HG ARG 16 -11.265 2.283 -11.892 185 1HD ARG 16 2HD ARG 16 -10.931 0.091 -12.079 186 2HD ARG 16 3HD ARG 16 -10.059 0.154 -10.524 187 HE ARG 16 HE ARG 16 -12.793 -0.120 -9.963 188 1HH1 ARG 16 2HH2 ARG 16 -10.098 -1.979 -11.398 189 2HH1 ARG 16 1HH2 ARG 16 -10.748 -3.515 -10.938 190 1HH2 ARG 16 2HH1 ARG 16 -13.669 -2.194 -9.421 191 2HH2 ARG 16 1HH1 ARG 16 -12.809 -3.644 -9.812 192 QB ARG 16 QB ARG 16 -10.242 2.356 -9.401 193 QG ARG 16 QG ARG 16 -11.851 2.122 -11.265 194 QD ARG 16 QD ARG 16 -10.495 0.122 -11.302 195 QH1 ARG 16 QH2 ARG 16 -10.423 -2.747 -11.168 196 QH2 ARG 16 QH1 ARG 16 -13.239 -2.919 -9.616 197 H LYS 17 HN LYS 17 -10.965 4.769 -8.067 198 HA LYS 17 HA LYS 17 -8.372 5.826 -7.119 199 1HB LYS 17 2HB LYS 17 -9.309 7.588 -8.586 200 2HB LYS 17 3HB LYS 17 -10.789 7.606 -7.634 201 1HG LYS 17 2HG LYS 17 -8.458 7.963 -5.921 202 2HG LYS 17 3HG LYS 17 -8.373 9.100 -7.270 203 1HD LYS 17 2HD LYS 17 -10.863 9.645 -6.690 204 2HD LYS 17 3HD LYS 17 -10.561 8.792 -5.175 205 1HE LYS 17 2HE LYS 17 -9.232 11.348 -6.223 206 2HE LYS 17 3HE LYS 17 -10.339 11.182 -4.853 207 1HZ LYS 17 2HZ LYS 17 -8.399 9.638 -3.960 208 2HZ LYS 17 3HZ LYS 17 -7.504 10.387 -5.015 209 3HZ LYS 17 1HZ LYS 17 -8.245 11.288 -3.874 210 QB LYS 17 QB LYS 17 -10.049 7.597 -8.110 211 QG LYS 17 QG LYS 17 -8.416 8.532 -6.595 212 QD LYS 17 QD LYS 17 -10.712 9.218 -5.933 213 QE LYS 17 QE LYS 17 -9.785 11.265 -5.538 214 QZ LYS 17 QZ LYS 17 -8.050 10.438 -4.283 215 H ILE 18 HN ILE 18 -8.533 4.371 -5.410 216 HA ILE 18 HA ILE 18 -10.850 4.631 -3.555 217 HB ILE 18 HB ILE 18 -9.157 2.177 -4.111 218 1HG1 ILE 18 2HG1 ILE 18 -11.962 2.867 -5.099 219 2HG1 ILE 18 3HG1 ILE 18 -10.504 2.723 -6.094 220 1HG2 ILE 18 3HG2 ILE 18 -10.167 2.346 -1.807 221 2HG2 ILE 18 1HG2 ILE 18 -11.767 2.494 -2.560 222 3HG2 ILE 18 2HG2 ILE 18 -10.811 1.008 -2.741 223 1HD1 ILE 18 2HD1 ILE 18 -10.266 0.339 -5.355 224 2HD1 ILE 18 3HD1 ILE 18 -11.881 0.464 -4.612 225 3HD1 ILE 18 1HD1 ILE 18 -11.691 0.688 -6.357 226 QG1 ILE 18 QG1 ILE 18 -11.233 2.795 -5.597 227 QG2 ILE 18 QG2 ILE 18 -10.915 1.950 -2.369 228 QD1 ILE 18 QD1 ILE 18 -11.279 0.497 -5.441 229 HA PRO 19 HA PRO 19 -7.317 6.150 -1.145 230 1HB PRO 19 2HB PRO 19 -8.556 6.575 1.281 231 2HB PRO 19 3HB PRO 19 -8.675 7.674 -0.123 232 1HG PRO 19 2HG PRO 19 -10.626 5.518 0.714 233 2HG PRO 19 3HG PRO 19 -10.993 7.209 0.260 234 1HD PRO 19 2HD PRO 19 -11.259 5.170 -1.485 235 2HD PRO 19 3HD PRO 19 -10.610 6.740 -2.055 236 QB PRO 19 QB PRO 19 -8.615 7.125 0.579 237 QG PRO 19 QG PRO 19 -10.810 6.364 0.487 238 QD PRO 19 QD PRO 19 -10.935 5.955 -1.770 239 H SER 20 HN SER 20 -5.764 4.796 -0.366 240 HA SER 20 HA SER 20 -6.459 2.671 1.557 241 1HB SER 20 2HB SER 20 -4.611 1.976 -0.754 242 2HB SER 20 3HB SER 20 -5.424 0.885 0.351 243 HG SER 20 HG SER 20 -6.834 2.536 -1.455 244 QB SER 20 QB SER 20 -5.018 1.430 -0.201 245 H PHE 21 HN PHE 21 -4.278 1.689 2.246 246 HA PHE 21 HA PHE 21 -2.112 3.728 2.395 247 1HB PHE 21 2HB PHE 21 -3.155 1.900 4.588 248 2HB PHE 21 3HB PHE 21 -1.627 2.764 4.691 249 HD1 PHE 21 2HD PHE 21 -5.324 3.128 4.602 250 HD2 PHE 21 1HD PHE 21 -1.567 5.157 5.146 251 HE1 PHE 21 2HE PHE 21 -6.511 5.051 5.605 252 HE2 PHE 21 1HE PHE 21 -2.754 7.077 6.183 253 HZ PHE 21 HZ PHE 21 -5.227 7.032 6.404 254 QB PHE 21 QB PHE 21 -2.391 2.332 4.640 255 QR PHE 21 QR PHE 21 -4.039 5.103 5.384 256 OH TYR 22 OH TYR 22 4.172 5.270 -1.604 257 H TYR 22 HN TYR 22 0.007 2.836 2.209 258 HA TYR 22 HA TYR 22 0.301 -0.081 1.921 259 1HB TYR 22 2HB TYR 22 1.441 0.032 -0.059 260 2HB TYR 22 3HB TYR 22 0.021 0.979 -0.433 261 HD1 TYR 22 HD2 TYR 22 0.423 3.643 0.294 262 HD2 TYR 22 HD1 TYR 22 3.458 0.824 -0.913 263 HE1 TYR 22 HE2 TYR 22 1.801 5.496 -0.507 264 HE2 TYR 22 HE1 TYR 22 4.875 2.707 -1.674 265 HH TYR 22 HH TYR 22 3.709 6.103 -1.482 266 QB TYR 22 QB TYR 22 0.731 0.505 -0.246 267 QR TYR 22 QR TYR 22 2.639 3.168 -0.700 268 OH TYR 23 OH TYR 23 8.987 0.080 7.367 269 H TYR 23 HN TYR 23 2.717 -0.549 1.963 270 HA TYR 23 HA TYR 23 4.109 1.342 3.806 271 1HB TYR 23 2HB TYR 23 3.669 -1.028 4.514 272 2HB TYR 23 3HB TYR 23 4.764 -1.548 3.244 273 HD1 TYR 23 HD1 TYR 23 7.187 -0.759 3.295 274 HD2 TYR 23 HD2 TYR 23 4.529 -0.436 6.649 275 HE1 TYR 23 HE1 TYR 23 9.118 -0.477 4.832 276 HE2 TYR 23 HE2 TYR 23 6.437 0.109 8.123 277 HH TYR 23 HH TYR 23 8.779 0.518 8.196 278 QB TYR 23 QB TYR 23 4.217 -1.288 3.879 279 QR TYR 23 QR TYR 23 6.818 -0.391 5.725 280 H LYS 24 HN LYS 24 5.422 2.757 2.707 281 HA LYS 24 HA LYS 24 6.548 1.921 0.085 282 1HB LYS 24 2HB LYS 24 5.705 4.158 0.299 283 2HB LYS 24 3HB LYS 24 6.795 4.521 1.635 284 1HG LYS 24 2HG LYS 24 8.673 4.613 0.250 285 2HG LYS 24 3HG LYS 24 7.972 3.552 -0.988 286 1HD LYS 24 2HD LYS 24 6.564 5.244 -1.826 287 2HD LYS 24 3HD LYS 24 6.834 6.305 -0.426 288 1HE LYS 24 2HE LYS 24 9.195 6.624 -1.126 289 2HE LYS 24 3HE LYS 24 8.944 5.536 -2.504 290 1HZ LYS 24 3HZ LYS 24 7.550 8.102 -2.077 291 2HZ LYS 24 1HZ LYS 24 8.774 7.840 -3.139 292 3HZ LYS 24 2HZ LYS 24 7.324 7.097 -3.359 293 QB LYS 24 QB LYS 24 6.250 4.339 0.967 294 QG LYS 24 QG LYS 24 8.322 4.082 -0.369 295 QD LYS 24 QD LYS 24 6.699 5.775 -1.126 296 QE LYS 24 QE LYS 24 9.070 6.080 -1.815 297 QZ LYS 24 QZ LYS 24 7.883 7.680 -2.858 298 CH2 TRP 25 CH2 TRP 25 11.925 -4.007 5.282 299 H TRP 25 HN TRP 25 7.917 0.212 0.659 300 HA TRP 25 HA TRP 25 9.708 0.100 2.778 301 1HB TRP 25 2HB TRP 25 9.204 -1.709 1.126 302 2HB TRP 25 3HB TRP 25 10.292 -0.932 -0.019 303 HD1 TRP 25 HD1 TRP 25 12.867 -1.306 0.343 304 HE1 TRP 25 HE1 TRP 25 14.310 -2.589 2.005 305 HE3 TRP 25 HE3 TRP 25 9.234 -2.624 3.699 306 HZ2 TRP 25 HZ2 TRP 25 13.955 -3.965 4.538 307 HZ3 TRP 25 HZ3 TRP 25 9.825 -3.853 5.758 308 HH2 TRP 25 HH2 TRP 25 12.177 -4.548 6.182 309 QB TRP 25 QB TRP 25 9.748 -1.320 0.553 310 H LYS 26 HN LYS 26 10.087 1.722 -0.295 311 HA LYS 26 HA LYS 26 12.816 2.404 -0.092 312 1HB LYS 26 2HB LYS 26 10.728 2.722 -1.920 313 2HB LYS 26 3HB LYS 26 11.091 4.383 -1.481 314 1HG LYS 26 2HG LYS 26 13.340 4.198 -2.240 315 2HG LYS 26 3HG LYS 26 13.318 2.436 -2.260 316 1HD LYS 26 2HD LYS 26 11.490 4.079 -4.049 317 2HD LYS 26 3HD LYS 26 13.134 3.703 -4.540 318 1HE LYS 26 2HE LYS 26 11.096 1.538 -3.783 319 2HE LYS 26 3HE LYS 26 11.311 2.149 -5.425 320 1HZ LYS 26 2HZ LYS 26 13.427 0.853 -3.838 321 2HZ LYS 26 3HZ LYS 26 12.560 0.157 -5.047 322 3HZ LYS 26 1HZ LYS 26 13.572 1.404 -5.383 323 QB LYS 26 QB LYS 26 10.910 3.553 -1.700 324 QG LYS 26 QG LYS 26 13.329 3.317 -2.250 325 QD LYS 26 QD LYS 26 12.312 3.891 -4.295 326 QE LYS 26 QE LYS 26 11.203 1.844 -4.604 327 QZ LYS 26 QZ LYS 26 13.187 0.805 -4.756 328 H ALA 27 HN ALA 27 10.062 3.724 1.604 329 HA ALA 27 HA ALA 27 11.641 6.020 2.670 330 1HB ALA 27 1HB ALA 27 9.403 6.563 1.762 331 2HB ALA 27 2HB ALA 27 8.669 5.399 2.898 332 3HB ALA 27 3HB ALA 27 9.508 6.834 3.515 333 QB ALA 27 QB ALA 27 9.193 6.265 2.725 334 H LYS 28 HN LYS 28 10.147 2.943 3.442 335 HA LYS 28 HA LYS 28 10.281 1.530 5.161 336 1HB LYS 28 2HB LYS 28 12.116 3.484 6.588 337 2HB LYS 28 3HB LYS 28 11.734 1.856 7.105 338 1HG LYS 28 2HG LYS 28 12.944 0.806 5.491 339 2HG LYS 28 3HG LYS 28 12.780 2.095 4.308 340 1HD LYS 28 2HD LYS 28 14.478 2.442 6.795 341 2HD LYS 28 3HD LYS 28 15.091 1.749 5.277 342 1HE LYS 28 2HE LYS 28 14.334 3.804 4.037 343 2HE LYS 28 3HE LYS 28 13.848 4.535 5.574 344 1HZ LYS 28 2HZ LYS 28 16.590 3.731 4.876 345 2HZ LYS 28 3HZ LYS 28 15.993 5.262 4.862 346 3HZ LYS 28 1HZ LYS 28 16.120 4.449 6.286 347 QB LYS 28 QB LYS 28 11.925 2.670 6.847 348 QG LYS 28 QG LYS 28 12.862 1.451 4.900 349 QD LYS 28 QD LYS 28 14.784 2.096 6.036 350 QE LYS 28 QE LYS 28 14.091 4.170 4.806 351 QZ LYS 28 QZ LYS 28 16.234 4.481 5.341 352 H GLN 29 HN GLN 29 8.078 3.209 4.778 353 HA GLN 29 HA GLN 29 6.918 2.959 7.403 354 1HB GLN 29 2HB GLN 29 7.650 5.698 6.369 355 2HB GLN 29 3HB GLN 29 6.021 5.514 7.000 356 1HG GLN 29 2HG GLN 29 7.155 4.388 9.080 357 2HG GLN 29 3HG GLN 29 8.608 5.225 8.514 358 1HE2 GLN 29 2HE2 GLN 29 7.158 8.511 9.095 359 2HE2 GLN 29 1HE2 GLN 29 8.243 7.655 8.013 360 QB GLN 29 QB GLN 29 6.836 5.606 6.685 361 QG GLN 29 QG GLN 29 7.881 4.807 8.797 362 QE2 GLN 29 QE2 GLN 29 7.700 8.083 8.554 363 H CYS 30 HN CYS 30 4.695 3.582 7.480 364 HA CYS 30 HA CYS 30 3.162 2.646 5.172 365 1HB CYS 30 2HB CYS 30 2.392 3.527 7.968 366 2HB CYS 30 3HB CYS 30 1.270 2.868 6.774 367 QB CYS 30 QB CYS 30 1.831 3.197 7.371 368 H LEU 31 HN LEU 31 1.966 3.951 3.853 369 HA LEU 31 HA LEU 31 1.655 6.830 4.503 370 1HB LEU 31 2HB LEU 31 2.637 5.658 1.868 371 2HB LEU 31 3HB LEU 31 2.349 7.371 2.168 372 HG LEU 31 HG LEU 31 4.526 5.652 3.448 373 1HD1 LEU 31 2HD1 LEU 31 4.806 6.138 1.024 374 2HD1 LEU 31 3HD1 LEU 31 4.676 7.876 1.363 375 3HD1 LEU 31 1HD1 LEU 31 6.041 6.942 2.024 376 1HD2 LEU 31 3HD2 LEU 31 4.052 8.665 3.623 377 2HD2 LEU 31 1HD2 LEU 31 3.832 7.532 4.960 378 3HD2 LEU 31 2HD2 LEU 31 5.442 7.776 4.287 379 QB LEU 31 QB LEU 31 2.493 6.515 2.018 380 QD1 LEU 31 QD1 LEU 31 5.174 6.985 1.471 381 QD2 LEU 31 QD2 LEU 31 4.442 7.991 4.290 382 QQD LEU 31 QQD LEU 31 4.808 7.488 2.880 383 HA PRO 32 HA PRO 32 -2.370 5.989 2.568 384 1HB PRO 32 2HB PRO 32 -3.235 8.515 2.098 385 2HB PRO 32 3HB PRO 32 -3.076 7.892 3.759 386 1HG PRO 32 2HG PRO 32 -1.077 9.570 2.214 387 2HG PRO 32 3HG PRO 32 -1.701 9.868 3.863 388 1HD PRO 32 2HD PRO 32 0.674 8.612 3.397 389 2HD PRO 32 3HD PRO 32 -0.376 8.119 4.760 390 QB PRO 32 QB PRO 32 -3.156 8.204 2.929 391 QG PRO 32 QG PRO 32 -1.389 9.719 3.038 392 QD PRO 32 QD PRO 32 0.149 8.365 4.079 393 H PHE 33 HN PHE 33 -3.342 6.180 0.397 394 HA PHE 33 HA PHE 33 -2.332 7.912 -1.607 395 1HB PHE 33 2HB PHE 33 -1.294 6.422 -3.119 396 2HB PHE 33 3HB PHE 33 -0.450 6.174 -1.615 397 HD1 PHE 33 2HD PHE 33 -1.769 4.226 -0.053 398 HD2 PHE 33 1HD PHE 33 -1.803 4.524 -4.347 399 HE1 PHE 33 2HE PHE 33 -2.221 1.800 -0.235 400 HE2 PHE 33 1HE PHE 33 -2.232 2.125 -4.517 401 HZ PHE 33 HZ PHE 33 -2.354 0.712 -2.398 402 QB PHE 33 QB PHE 33 -0.872 6.298 -2.367 403 QR PHE 33 QR PHE 33 -2.006 3.169 -2.288 404 H ASP 34 HN ASP 34 -3.335 7.024 -3.869 405 HA ASP 34 HA ASP 34 -6.087 5.998 -3.339 406 1HB ASP 34 2HB ASP 34 -4.773 7.528 -5.636 407 2HB ASP 34 3HB ASP 34 -6.341 6.737 -5.756 408 QB ASP 34 QB ASP 34 -5.557 7.133 -5.696 409 OH TYR 35 OH TYR 35 -5.239 -3.607 -7.267 410 H TYR 35 HN TYR 35 -6.196 3.803 -3.691 411 HA TYR 35 HA TYR 35 -4.307 2.529 -5.569 412 1HB TYR 35 2HB TYR 35 -5.043 1.280 -3.562 413 2HB TYR 35 3HB TYR 35 -6.721 1.446 -4.064 414 HD1 TYR 35 HD1 TYR 35 -3.802 0.550 -6.251 415 HD2 TYR 35 HD2 TYR 35 -7.399 -0.821 -4.377 416 HE1 TYR 35 HE1 TYR 35 -3.729 -1.481 -7.636 417 HE2 TYR 35 HE2 TYR 35 -7.029 -3.069 -5.408 418 HH TYR 35 HH TYR 35 -6.083 -4.078 -7.263 419 QB TYR 35 QB TYR 35 -5.882 1.363 -3.813 420 QR TYR 35 QR TYR 35 -5.489 -1.205 -5.918 421 H SER 36 HN SER 36 -5.124 1.541 -7.567 422 HA SER 36 HA SER 36 -7.480 2.870 -8.696 423 1HB SER 36 2HB SER 36 -6.958 1.696 -10.662 424 2HB SER 36 3HB SER 36 -5.508 2.534 -10.109 425 HG SER 36 HG SER 36 -4.601 0.638 -9.537 426 QB SER 36 QB SER 36 -6.233 2.115 -10.386 427 H GLY 37 HN GLY 37 -6.623 -0.566 -8.854 428 1HA GLY 37 1HA GLY 37 -8.634 -1.653 -7.153 429 2HA GLY 37 2HA GLY 37 -9.376 -1.396 -8.732 430 QA GLY 37 QA GLY 37 -9.005 -1.524 -7.942 431 H CYS 38 HN CYS 38 -7.172 -1.933 -10.395 432 HA CYS 38 HA CYS 38 -6.662 -4.834 -9.957 433 1HB CYS 38 2HB CYS 38 -6.565 -5.150 -12.303 434 2HB CYS 38 3HB CYS 38 -8.153 -4.535 -11.878 435 QB CYS 38 QB CYS 38 -7.359 -4.843 -12.091 436 H GLY 39 HN GLY 39 -4.664 -5.587 -10.646 437 1HA GLY 39 1HA GLY 39 -2.415 -5.623 -10.730 438 2HA GLY 39 2HA GLY 39 -2.531 -4.213 -11.774 439 QA GLY 39 QA GLY 39 -2.473 -4.918 -11.252 440 H GLY 40 HN GLY 40 -3.549 -4.262 -8.316 441 1HA GLY 40 1HA GLY 40 -1.386 -2.504 -7.419 442 2HA GLY 40 2HA GLY 40 -2.585 -3.355 -6.452 443 QA GLY 40 QA GLY 40 -1.986 -2.929 -6.935 444 H ASN 41 HN ASN 41 -1.357 -4.411 -4.991 445 HA ASN 41 HA ASN 41 -0.213 -6.920 -5.645 446 1HB ASN 41 2HB ASN 41 1.975 -6.455 -4.706 447 2HB ASN 41 3HB ASN 41 1.742 -5.487 -6.140 448 1HD2 ASN 41 2HD2 ASN 41 2.930 -2.698 -4.311 449 2HD2 ASN 41 1HD2 ASN 41 3.171 -3.906 -5.560 450 QB ASN 41 QB ASN 41 1.859 -5.971 -5.423 451 QD2 ASN 41 QD2 ASN 41 3.051 -3.302 -4.936 452 H ALA 42 HN ALA 42 0.978 -7.454 -3.211 453 HA ALA 42 HA ALA 42 -1.367 -7.448 -1.439 454 1HB ALA 42 1HB ALA 42 -0.013 -9.496 -1.796 455 2HB ALA 42 2HB ALA 42 1.417 -8.673 -1.151 456 3HB ALA 42 3HB ALA 42 0.031 -9.000 -0.095 457 QB ALA 42 QB ALA 42 0.478 -9.056 -1.014 458 H ASN 43 HN ASN 43 0.714 -5.009 -1.901 459 HA ASN 43 HA ASN 43 1.205 -4.416 0.955 460 1HB ASN 43 2HB ASN 43 2.948 -4.141 -0.992 461 2HB ASN 43 3HB ASN 43 2.038 -2.704 -1.424 462 1HD2 ASN 43 2HD2 ASN 43 4.682 -1.510 0.846 463 2HD2 ASN 43 1HD2 ASN 43 4.658 -2.278 -0.698 464 QB ASN 43 QB ASN 43 2.493 -3.422 -1.208 465 QD2 ASN 43 QD2 ASN 43 4.670 -1.894 0.074 466 NH1 ARG 44 NH2 ARG 44 -2.173 -0.462 -4.608 467 NH2 ARG 44 NH1 ARG 44 -0.669 -2.141 -4.374 468 H ARG 44 HN ARG 44 -1.304 -4.387 1.095 469 HA ARG 44 HA ARG 44 -2.155 -1.580 0.759 470 1HB ARG 44 2HB ARG 44 -2.817 -3.507 -1.157 471 2HB ARG 44 3HB ARG 44 -4.281 -3.388 -0.193 472 1HG ARG 44 2HG ARG 44 -4.663 -1.167 -0.695 473 2HG ARG 44 3HG ARG 44 -2.959 -0.812 -0.996 474 1HD ARG 44 2HD ARG 44 -4.804 -2.333 -2.842 475 2HD ARG 44 3HD ARG 44 -4.191 -0.727 -3.031 476 HE ARG 44 HE ARG 44 -2.493 -3.241 -3.051 477 1HH1 ARG 44 2HH2 ARG 44 -3.053 -0.027 -4.390 478 2HH1 ARG 44 1HH2 ARG 44 -1.580 -0.064 -5.332 479 1HH2 ARG 44 2HH1 ARG 44 -0.242 -2.866 -3.796 480 2HH2 ARG 44 1HH1 ARG 44 -0.101 -1.646 -5.046 481 QB ARG 44 QB ARG 44 -3.549 -3.447 -0.675 482 QG ARG 44 QG ARG 44 -3.811 -0.989 -0.846 483 QD ARG 44 QD ARG 44 -4.497 -1.530 -2.936 484 QH1 ARG 44 QH2 ARG 44 -2.316 -0.045 -4.861 485 QH2 ARG 44 QH1 ARG 44 -0.172 -2.256 -4.421 486 H PHE 45 HN PHE 45 -3.436 -0.846 2.235 487 HA PHE 45 HA PHE 45 -4.722 -2.550 4.351 488 1HB PHE 45 2HB PHE 45 -2.755 -0.276 4.653 489 2HB PHE 45 3HB PHE 45 -3.499 -1.189 5.935 490 HD1 PHE 45 2HD PHE 45 -2.995 -3.874 5.822 491 HD2 PHE 45 1HD PHE 45 -0.660 -0.897 3.779 492 HE1 PHE 45 2HE PHE 45 -0.966 -5.269 6.114 493 HE2 PHE 45 1HE PHE 45 1.349 -2.337 3.965 494 HZ PHE 45 HZ PHE 45 1.237 -4.440 5.288 495 QB PHE 45 QB PHE 45 -3.127 -0.733 5.294 496 QR PHE 45 QR PHE 45 -0.818 -3.094 4.920 497 H LYS 46 HN LYS 46 -6.490 -1.580 5.251 498 HA LYS 46 HA LYS 46 -7.507 0.845 3.839 499 1HB LYS 46 2HB LYS 46 -9.571 0.486 5.120 500 2HB LYS 46 3HB LYS 46 -9.161 -0.834 4.017 501 1HG LYS 46 2HG LYS 46 -8.480 -2.267 5.794 502 2HG LYS 46 3HG LYS 46 -8.338 -0.881 6.902 503 1HD LYS 46 2HD LYS 46 -10.710 -0.614 7.065 504 2HD LYS 46 3HD LYS 46 -10.991 -1.833 5.811 505 1HE LYS 46 2HE LYS 46 -11.356 -2.752 8.109 506 2HE LYS 46 3HE LYS 46 -10.095 -3.607 7.208 507 1HZ LYS 46 3HZ LYS 46 -9.577 -1.568 9.282 508 2HZ LYS 46 1HZ LYS 46 -9.430 -3.192 9.467 509 3HZ LYS 46 2HZ LYS 46 -8.428 -2.379 8.462 510 QB LYS 46 QB LYS 46 -9.366 -0.174 4.569 511 QG LYS 46 QG LYS 46 -8.409 -1.574 6.348 512 QD LYS 46 QD LYS 46 -10.850 -1.224 6.438 513 QE LYS 46 QE LYS 46 -10.726 -3.180 7.659 514 QZ LYS 46 QZ LYS 46 -9.145 -2.380 9.070 515 H THR 47 HN THR 47 -5.796 -0.027 6.815 516 HA THR 47 HA THR 47 -6.185 2.842 7.671 517 HB THR 47 HB THR 47 -6.010 2.235 9.977 518 HG1 THR 47 1HG THR 47 -6.232 -0.487 9.233 519 1HG2 THR 47 3HG2 THR 47 -8.270 2.382 9.008 520 2HG2 THR 47 1HG2 THR 47 -8.248 0.649 8.644 521 3HG2 THR 47 2HG2 THR 47 -8.174 1.199 10.328 522 QG2 THR 47 QG2 THR 47 -8.230 1.410 9.327 523 H ILE 48 HN ILE 48 -4.465 3.775 8.746 524 HA ILE 48 HA ILE 48 -1.828 2.885 7.906 525 HB ILE 48 HB ILE 48 -2.619 5.344 8.403 526 1HG1 ILE 48 2HG1 ILE 48 -0.399 5.899 9.630 527 2HG1 ILE 48 3HG1 ILE 48 -0.033 4.171 9.494 528 1HG2 ILE 48 3HG2 ILE 48 -3.633 4.768 10.630 529 2HG2 ILE 48 1HG2 ILE 48 -1.977 4.511 11.245 530 3HG2 ILE 48 2HG2 ILE 48 -2.470 6.108 10.684 531 1HD1 ILE 48 3HD1 ILE 48 -0.328 4.383 7.009 532 2HD1 ILE 48 1HD1 ILE 48 -0.634 6.121 7.230 533 3HD1 ILE 48 2HD1 ILE 48 0.942 5.446 7.663 534 QG1 ILE 48 QG1 ILE 48 -0.216 5.035 9.562 535 QG2 ILE 48 QG2 ILE 48 -2.693 5.129 10.853 536 QD1 ILE 48 QD1 ILE 48 -0.007 5.317 7.301 537 H GLU 49 HN GLU 49 -3.836 2.584 10.859 538 HA GLU 49 HA GLU 49 -1.699 1.537 12.398 539 1HB GLU 49 2HB GLU 49 -4.702 1.616 12.634 540 2HB GLU 49 3HB GLU 49 -3.915 0.303 13.513 541 1HG GLU 49 2HG GLU 49 -4.208 2.329 14.909 542 2HG GLU 49 3HG GLU 49 -2.514 1.843 14.752 543 QB GLU 49 QB GLU 49 -4.308 0.959 13.073 544 QG GLU 49 QG GLU 49 -3.361 2.086 14.831 545 H GLU 50 HN GLU 50 -4.046 -0.199 10.271 546 HA GLU 50 HA GLU 50 -3.059 -2.738 11.199 547 1HB GLU 50 2HB GLU 50 -4.335 -3.747 9.476 548 2HB GLU 50 3HB GLU 50 -5.247 -2.382 10.145 549 1HG GLU 50 2HG GLU 50 -4.278 -1.072 8.128 550 2HG GLU 50 3HG GLU 50 -3.869 -2.673 7.486 551 QB GLU 50 QB GLU 50 -4.791 -3.064 9.810 552 QG GLU 50 QG GLU 50 -4.073 -1.872 7.807 553 H CYS 51 HN CYS 51 -2.112 -0.616 8.452 554 HA CYS 51 HA CYS 51 0.006 -2.234 7.472 555 1HB CYS 51 2HB CYS 51 -0.770 -0.215 6.294 556 2HB CYS 51 3HB CYS 51 -0.145 0.811 7.577 557 QB CYS 51 QB CYS 51 -0.457 0.298 6.935 558 NH1 ARG 52 NH2 ARG 52 2.057 6.087 12.927 559 NH2 ARG 52 NH1 ARG 52 2.313 6.225 10.627 560 H ARG 52 HN ARG 52 0.173 0.423 9.944 561 HA ARG 52 HA ARG 52 2.946 0.117 10.436 562 1HB ARG 52 2HB ARG 52 1.314 1.992 11.011 563 2HB ARG 52 3HB ARG 52 0.857 1.060 12.439 564 1HG ARG 52 2HG ARG 52 3.088 1.223 13.340 565 2HG ARG 52 3HG ARG 52 3.762 1.799 11.808 566 1HD ARG 52 2HD ARG 52 1.694 3.320 13.449 567 2HD ARG 52 3HD ARG 52 3.452 3.606 13.511 568 HE ARG 52 HE ARG 52 2.674 3.741 10.803 569 1HH1 ARG 52 2HH2 ARG 52 1.999 5.518 13.758 570 2HH1 ARG 52 1HH2 ARG 52 1.866 7.075 13.003 571 1HH2 ARG 52 2HH1 ARG 52 2.522 5.801 9.734 572 2HH2 ARG 52 1HH1 ARG 52 2.144 7.221 10.648 573 QB ARG 52 QB ARG 52 1.086 1.526 11.725 574 QG ARG 52 QG ARG 52 3.425 1.511 12.574 575 QD ARG 52 QD ARG 52 2.573 3.463 13.480 576 QH1 ARG 52 QH2 ARG 52 1.933 6.296 13.381 577 QH2 ARG 52 QH1 ARG 52 2.333 6.511 10.191 578 NH1 ARG 53 NH2 ARG 53 -2.313 -1.884 17.544 579 NH2 ARG 53 NH1 ARG 53 -1.764 -3.923 18.501 580 H ARG 53 HN ARG 53 0.158 -1.487 11.971 581 HA ARG 53 HA ARG 53 1.851 -2.880 13.893 582 1HB ARG 53 2HB ARG 53 -1.049 -3.267 13.098 583 2HB ARG 53 3HB ARG 53 -0.275 -4.046 14.477 584 1HG ARG 53 2HG ARG 53 -0.377 -1.001 14.185 585 2HG ARG 53 3HG ARG 53 -1.694 -1.919 14.892 586 1HD ARG 53 2HD ARG 53 1.201 -1.983 15.881 587 2HD ARG 53 3HD ARG 53 -0.006 -0.887 16.520 588 HE ARG 53 HE ARG 53 0.319 -3.709 17.090 589 1HH1 ARG 53 2HH2 ARG 53 -2.081 -1.139 16.903 590 2HH1 ARG 53 1HH2 ARG 53 -3.188 -1.839 18.044 591 1HH2 ARG 53 2HH1 ARG 53 -1.130 -4.702 18.607 592 2HH2 ARG 53 1HH1 ARG 53 -2.626 -3.932 19.026 593 QB ARG 53 QB ARG 53 -0.662 -3.656 13.787 594 QG ARG 53 QG ARG 53 -1.035 -1.460 14.538 595 QD ARG 53 QD ARG 53 0.598 -1.435 16.201 596 QH1 ARG 53 QH2 ARG 53 -2.634 -1.489 17.473 597 QH2 ARG 53 QH1 ARG 53 -1.878 -4.317 18.816 598 H THR 54 HN THR 54 0.831 -3.545 10.568 599 HA THR 54 HA THR 54 1.478 -6.375 10.721 600 HB THR 54 HB THR 54 1.265 -4.469 8.349 601 HG1 THR 54 1HG THR 54 -0.647 -4.910 9.490 602 1HG2 THR 54 2HG2 THR 54 1.526 -7.506 8.423 603 2HG2 THR 54 3HG2 THR 54 1.121 -6.531 6.998 604 3HG2 THR 54 1HG2 THR 54 2.719 -6.379 7.737 605 QG2 THR 54 QG2 THR 54 1.789 -6.805 7.719 606 H CYS 55 HN CYS 55 3.244 -3.479 9.449 607 HA CYS 55 HA CYS 55 5.587 -5.278 9.107 608 1HB CYS 55 2HB CYS 55 5.116 -2.509 8.044 609 2HB CYS 55 3HB CYS 55 6.621 -3.422 7.910 610 QB CYS 55 QB CYS 55 5.869 -2.965 7.977 611 H VAL 56 HN VAL 56 4.653 -2.565 11.117 612 HA VAL 56 HA VAL 56 7.365 -2.386 12.316 613 HB VAL 56 HB VAL 56 5.109 -0.349 12.577 614 1HG1 VAL 56 3HG1 VAL 56 8.118 -0.162 12.986 615 2HG1 VAL 56 1HG1 VAL 56 7.010 1.222 12.980 616 3HG1 VAL 56 2HG1 VAL 56 6.852 0.001 14.227 617 1HG2 VAL 56 3HG2 VAL 56 7.269 -0.429 10.445 618 2HG2 VAL 56 1HG2 VAL 56 5.503 -0.473 10.196 619 3HG2 VAL 56 2HG2 VAL 56 6.261 0.988 10.821 620 QG1 VAL 56 QG1 VAL 56 7.327 0.353 13.398 621 QG2 VAL 56 QG2 VAL 56 6.344 0.029 10.487 622 QQG VAL 56 QQG VAL 56 6.836 0.191 11.943 623 H GLY 57 HN GLY 57 7.121 -1.886 14.803 624 1HA GLY 57 1HA GLY 57 5.090 -2.402 16.491 625 2HA GLY 57 2HA GLY 57 5.648 -4.029 16.008 626 QA GLY 57 QA GLY 57 5.369 -3.215 16.250
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