NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4539 | 1fa3 | 4638 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 8.326 -11.816 0.397 2 2H GLY 1 2H GLY 1 7.962 -12.771 -0.884 3 3H GLY 1 3H GLY 1 7.152 -11.355 -0.664 4 1HA GLY 1 1HA GLY 1 9.160 -10.077 -0.988 5 2HA GLY 1 2HA GLY 1 10.007 -11.601 -1.295 6 H GLU 2 H GLU 2 8.233 -12.993 -2.834 7 HA GLU 2 HA GLU 2 7.902 -11.424 -5.349 8 1HB GLU 2 1HB GLU 2 8.055 -14.437 -4.871 9 2HB GLU 2 2HB GLU 2 7.894 -13.621 -6.431 10 1HG GLU 2 1HG GLU 2 10.113 -12.514 -6.048 11 2HG GLU 2 2HG GLU 2 10.278 -13.405 -4.525 12 H TRP 3 H TRP 3 5.848 -10.578 -5.182 13 HA TRP 3 HA TRP 3 3.711 -10.313 -4.412 14 1HB TRP 3 1HB TRP 3 3.673 -12.586 -6.383 15 2HB TRP 3 2HB TRP 3 2.195 -11.821 -5.787 16 HD1 TRP 3 HD1 TRP 3 4.119 -11.691 -8.719 17 HE1 TRP 3 HE1 TRP 3 3.876 -9.487 -9.981 18 HE3 TRP 3 HE3 TRP 3 2.190 -8.782 -4.947 19 HZ2 TRP 3 HZ2 TRP 3 2.961 -6.789 -9.431 20 HZ3 TRP 3 HZ3 TRP 3 1.813 -6.384 -5.301 21 HH2 TRP 3 HH2 TRP 3 2.118 -5.382 -7.558 22 H GLU 4 H GLU 4 4.110 -10.831 -2.161 23 HA GLU 4 HA GLU 4 2.658 -13.321 -1.300 24 1HB GLU 4 1HB GLU 4 5.122 -13.502 -1.070 25 2HB GLU 4 2HB GLU 4 5.100 -12.107 0.038 26 1HG GLU 4 1HG GLU 4 3.770 -13.406 1.649 27 2HG GLU 4 2HG GLU 4 3.632 -14.745 0.486 28 H ILE 5 H ILE 5 1.684 -13.100 0.857 29 HA ILE 5 HA ILE 5 0.454 -10.431 1.130 30 HB ILE 5 HB ILE 5 -0.167 -13.012 2.551 31 1HG1 ILE 5 1HG1 ILE 5 -0.649 -13.186 0.097 32 2HG1 ILE 5 2HG1 ILE 5 -2.072 -13.324 1.118 33 1HG2 ILE 5 1HG2 ILE 5 -0.948 -11.228 3.912 34 2HG2 ILE 5 2HG2 ILE 5 -1.647 -10.369 2.529 35 3HG2 ILE 5 3HG2 ILE 5 -2.354 -11.900 3.089 36 1HD1 ILE 5 1HD1 ILE 5 -2.757 -11.032 0.596 37 2HD1 ILE 5 2HD1 ILE 5 -1.272 -10.774 -0.342 38 3HD1 ILE 5 3HD1 ILE 5 -2.483 -11.947 -0.888 39 H ILE 6 H ILE 6 0.685 -9.208 3.021 40 HA ILE 6 HA ILE 6 2.871 -10.060 4.876 41 HB ILE 6 HB ILE 6 3.129 -7.726 5.395 42 1HG1 ILE 6 1HG1 ILE 6 1.403 -6.948 3.034 43 2HG1 ILE 6 2HG1 ILE 6 0.720 -7.047 4.667 44 1HG2 ILE 6 1HG2 ILE 6 4.480 -8.845 3.625 45 2HG2 ILE 6 2HG2 ILE 6 3.330 -8.278 2.399 46 3HG2 ILE 6 3HG2 ILE 6 4.303 -7.115 3.317 47 1HD1 ILE 6 1HD1 ILE 6 2.355 -5.420 5.484 48 2HD1 ILE 6 2HD1 ILE 6 3.081 -5.307 3.869 49 3HD1 ILE 6 3HD1 ILE 6 1.417 -4.764 4.124 50 H ASP 7 H ASP 7 2.649 -9.621 7.111 51 HA ASP 7 HA ASP 7 0.105 -10.391 8.183 52 1HB ASP 7 1HB ASP 7 2.551 -9.242 9.592 53 2HB ASP 7 2HB ASP 7 1.189 -10.070 10.357 54 H ILE 8 H ILE 8 -1.593 -9.045 8.550 55 HA ILE 8 HA ILE 8 -1.333 -6.168 8.521 56 HB ILE 8 HB ILE 8 -3.831 -6.724 9.519 57 1HG1 ILE 8 1HG1 ILE 8 -4.867 -8.342 7.966 58 2HG1 ILE 8 2HG1 ILE 8 -3.283 -8.941 7.501 59 1HG2 ILE 8 1HG2 ILE 8 -3.270 -5.129 7.755 60 2HG2 ILE 8 2HG2 ILE 8 -2.930 -6.473 6.637 61 3HG2 ILE 8 3HG2 ILE 8 -4.586 -6.174 7.209 62 1HD1 ILE 8 1HD1 ILE 8 -4.526 -8.963 10.304 63 2HD1 ILE 8 2HD1 ILE 8 -4.400 -10.351 9.211 64 3HD1 ILE 8 3HD1 ILE 8 -2.935 -9.647 9.914 65 H GLY 9 H GLY 9 -1.001 -4.872 10.249 66 1HA GLY 9 1HA GLY 9 -1.548 -5.356 12.967 67 2HA GLY 9 2HA GLY 9 0.076 -5.979 12.565 68 HA PRO 10 HA PRO 10 0.060 -1.371 13.597 69 1HB PRO 10 1HB PRO 10 2.685 -1.323 14.612 70 2HB PRO 10 2HB PRO 10 1.172 -1.525 15.533 71 1HG PRO 10 1HG PRO 10 3.025 -3.678 14.512 72 2HG PRO 10 2HG PRO 10 2.239 -3.565 16.111 73 1HD PRO 10 1HD PRO 10 1.237 -5.168 14.228 74 2HD PRO 10 2HD PRO 10 0.107 -4.177 15.190 75 H PHE 11 H PHE 11 2.745 -3.194 12.058 76 HA PHE 11 HA PHE 11 3.922 -1.134 10.597 77 1HB PHE 11 1HB PHE 11 4.911 -3.324 10.756 78 2HB PHE 11 2HB PHE 11 3.524 -4.083 9.984 79 HD1 PHE 11 HD1 PHE 11 3.534 -4.467 7.654 80 HD2 PHE 11 HD2 PHE 11 6.246 -1.565 9.340 81 HE1 PHE 11 HE1 PHE 11 4.613 -4.187 5.447 82 HE2 PHE 11 HE2 PHE 11 7.339 -1.309 7.127 83 HZ PHE 11 HZ PHE 11 6.531 -2.623 5.180 84 H THR 12 H THR 12 1.354 -3.402 9.370 85 HA THR 12 HA THR 12 1.047 -2.069 6.905 86 HB THR 12 HB THR 12 -1.116 -3.638 8.290 87 HG1 THR 12 HG1 THR 12 1.168 -4.734 7.035 88 1HG2 THR 12 1HG2 THR 12 -1.593 -2.781 6.039 89 2HG2 THR 12 2HG2 THR 12 -0.123 -3.539 5.405 90 3HG2 THR 12 3HG2 THR 12 -1.455 -4.549 6.001 91 H GLN 13 H GLN 13 -0.657 -1.815 10.040 92 HA GLN 13 HA GLN 13 -2.710 -0.034 9.322 93 1HB GLN 13 1HB GLN 13 -1.111 -0.478 11.866 94 2HB GLN 13 2HB GLN 13 -2.432 0.676 11.764 95 1HG GLN 13 1HG GLN 13 -4.036 -1.039 11.233 96 2HG GLN 13 2HG GLN 13 -2.775 -2.257 11.025 97 1HE2 GLN 13 1HE2 GLN 13 -3.986 0.066 13.540 98 2HE2 GLN 13 2HE2 GLN 13 -3.737 -1.050 14.868 99 H ASN 14 H ASN 14 0.641 0.640 10.500 100 HA ASN 14 HA ASN 14 0.534 3.433 10.385 101 1HB ASN 14 1HB ASN 14 2.386 2.167 11.397 102 2HB ASN 14 2HB ASN 14 2.913 1.628 9.800 103 1HD2 ASN 14 1HD2 ASN 14 2.805 4.382 12.012 104 2HD2 ASN 14 2HD2 ASN 14 3.858 5.393 11.038 105 H LEU 15 H LEU 15 1.513 1.152 7.760 106 HA LEU 15 HA LEU 15 2.022 3.301 5.898 107 1HB LEU 15 1HB LEU 15 1.416 0.367 5.399 108 2HB LEU 15 2HB LEU 15 1.867 1.524 4.139 109 HG LEU 15 HG LEU 15 3.602 0.695 6.506 110 1HD1 LEU 15 1HD1 LEU 15 3.387 -0.979 4.691 111 2HD1 LEU 15 2HD1 LEU 15 3.863 0.248 3.496 112 3HD1 LEU 15 3HD1 LEU 15 5.018 -0.283 4.732 113 1HD2 LEU 15 1HD2 LEU 15 4.116 2.732 4.281 114 2HD2 LEU 15 2HD2 LEU 15 4.168 3.022 6.038 115 3HD2 LEU 15 3HD2 LEU 15 5.388 2.008 5.283 116 H GLY 16 H GLY 16 -0.909 1.324 6.428 117 1HA GLY 16 1HA GLY 16 -2.489 2.500 4.348 118 2HA GLY 16 2HA GLY 16 -3.106 1.799 5.850 119 H LYS 17 H LYS 17 -1.930 3.391 7.728 120 HA LYS 17 HA LYS 17 -3.654 5.590 7.895 121 1HB LYS 17 1HB LYS 17 -2.032 4.343 9.701 122 2HB LYS 17 2HB LYS 17 -0.999 5.713 9.369 123 1HG LYS 17 1HG LYS 17 -3.811 5.679 10.510 124 2HG LYS 17 2HG LYS 17 -2.317 6.222 11.284 125 1HD LYS 17 1HD LYS 17 -2.159 7.993 9.467 126 2HD LYS 17 2HD LYS 17 -3.796 7.518 8.957 127 1HE LYS 17 1HE LYS 17 -4.654 8.018 11.251 128 2HE LYS 17 2HE LYS 17 -3.040 8.594 11.713 129 1HZ LYS 17 1HZ LYS 17 -3.219 10.264 10.018 130 2HZ LYS 17 2HZ LYS 17 -4.713 9.724 9.579 131 3HZ LYS 17 3HZ LYS 17 -4.478 10.378 11.074 132 H PHE 18 H PHE 18 -0.194 5.476 7.186 133 HA PHE 18 HA PHE 18 0.268 8.158 6.522 134 1HB PHE 18 1HB PHE 18 2.101 6.651 6.834 135 2HB PHE 18 2HB PHE 18 1.507 5.572 5.579 136 HD1 PHE 18 HD1 PHE 18 2.992 5.452 3.803 137 HD2 PHE 18 HD2 PHE 18 2.239 9.291 5.639 138 HE1 PHE 18 HE1 PHE 18 4.594 6.515 2.256 139 HE2 PHE 18 HE2 PHE 18 3.809 10.350 4.046 140 HZ PHE 18 HZ PHE 18 5.046 8.959 2.400 141 H ALA 19 H ALA 19 -0.877 5.504 4.423 142 HA ALA 19 HA ALA 19 -0.997 6.995 2.012 143 1HB ALA 19 1HB ALA 19 -1.252 4.535 2.149 144 2HB ALA 19 2HB ALA 19 -2.858 4.731 2.872 145 3HB ALA 19 3HB ALA 19 -2.570 5.294 1.229 146 H VAL 20 H VAL 20 -3.496 6.457 4.504 147 HA VAL 20 HA VAL 20 -5.459 8.178 3.276 148 HB VAL 20 HB VAL 20 -5.128 7.235 6.139 149 1HG1 VAL 20 1HG1 VAL 20 -6.460 9.271 6.258 150 2HG1 VAL 20 2HG1 VAL 20 -7.403 8.800 4.828 151 3HG1 VAL 20 3HG1 VAL 20 -7.582 7.911 6.349 152 1HG2 VAL 20 1HG2 VAL 20 -7.054 6.429 3.898 153 2HG2 VAL 20 2HG2 VAL 20 -5.633 5.493 4.389 154 3HG2 VAL 20 3HG2 VAL 20 -6.978 5.716 5.517 155 H ASP 21 H ASP 21 -2.836 8.815 5.612 156 HA ASP 21 HA ASP 21 -3.580 11.463 6.267 157 1HB ASP 21 1HB ASP 21 -2.007 10.211 7.616 158 2HB ASP 21 2HB ASP 21 -0.873 10.080 6.272 159 H GLU 22 H GLU 22 -1.384 10.172 3.774 160 HA GLU 22 HA GLU 22 -0.617 12.638 2.596 161 1HB GLU 22 1HB GLU 22 0.502 10.428 2.182 162 2HB GLU 22 2HB GLU 22 -0.933 9.874 1.316 163 1HG GLU 22 1HG GLU 22 0.770 10.570 -0.265 164 2HG GLU 22 2HG GLU 22 -0.592 11.687 -0.378 165 H GLU 23 H GLU 23 -3.218 10.299 1.711 166 HA GLU 23 HA GLU 23 -4.317 11.742 -0.411 167 1HB GLU 23 1HB GLU 23 -4.762 9.367 0.285 168 2HB GLU 23 2HB GLU 23 -5.809 9.964 1.580 169 1HG GLU 23 1HG GLU 23 -6.189 10.567 -1.397 170 2HG GLU 23 2HG GLU 23 -6.958 9.228 -0.531 171 H ASN 24 H ASN 24 -5.133 11.884 3.083 172 HA ASN 24 HA ASN 24 -7.190 13.815 2.972 173 1HB ASN 24 1HB ASN 24 -5.197 12.905 5.094 174 2HB ASN 24 2HB ASN 24 -6.348 14.190 5.371 175 1HD2 ASN 24 1HD2 ASN 24 -6.746 12.464 7.170 176 2HD2 ASN 24 2HD2 ASN 24 -8.098 11.395 6.820 177 H LYS 25 H LYS 25 -3.624 14.111 3.384 178 HA LYS 25 HA LYS 25 -3.613 16.908 3.846 179 1HB LYS 25 1HB LYS 25 -1.744 15.379 4.332 180 2HB LYS 25 2HB LYS 25 -1.452 15.159 2.597 181 1HG LYS 25 1HG LYS 25 -0.888 17.529 2.358 182 2HG LYS 25 2HG LYS 25 -1.345 17.836 4.048 183 1HD LYS 25 1HD LYS 25 0.465 16.359 4.843 184 2HD LYS 25 2HD LYS 25 0.856 15.904 3.178 185 1HE LYS 25 1HE LYS 25 2.460 17.563 4.026 186 2HE LYS 25 2HE LYS 25 1.543 18.211 2.656 187 1HZ LYS 25 1HZ LYS 25 0.163 19.386 4.204 188 2HZ LYS 25 2HZ LYS 25 0.977 18.752 5.491 189 3HZ LYS 25 3HZ LYS 25 1.743 19.776 4.450 190 H ILE 26 H ILE 26 -3.424 15.008 0.812 191 HA ILE 26 HA ILE 26 -3.325 17.317 -0.929 192 HB ILE 26 HB ILE 26 -4.265 14.463 -1.411 193 1HG1 ILE 26 1HG1 ILE 26 -1.665 15.829 -2.244 194 2HG1 ILE 26 2HG1 ILE 26 -1.809 14.889 -0.762 195 1HG2 ILE 26 1HG2 ILE 26 -5.274 15.993 -3.086 196 2HG2 ILE 26 2HG2 ILE 26 -3.679 16.691 -3.417 197 3HG2 ILE 26 3HG2 ILE 26 -4.032 15.001 -3.831 198 1HD1 ILE 26 1HD1 ILE 26 -2.505 12.899 -2.086 199 2HD1 ILE 26 2HD1 ILE 26 -2.170 13.806 -3.580 200 3HD1 ILE 26 3HD1 ILE 26 -0.864 13.476 -2.438 201 H GLY 27 H GLY 27 -5.990 15.344 0.420 202 1HA GLY 27 1HA GLY 27 -8.084 16.042 1.035 203 2HA GLY 27 2HA GLY 27 -7.872 17.592 0.218 204 H GLN 28 H GLN 28 -7.073 14.671 -1.541 205 HA GLN 28 HA GLN 28 -8.629 15.455 -3.741 206 1HB GLN 28 1HB GLN 28 -6.608 13.973 -3.759 207 2HB GLN 28 2HB GLN 28 -7.608 12.638 -3.161 208 1HG GLN 28 1HG GLN 28 -9.038 12.805 -5.183 209 2HG GLN 28 2HG GLN 28 -8.071 14.183 -5.747 210 1HE2 GLN 28 1HE2 GLN 28 -8.068 12.472 -7.647 211 2HE2 GLN 28 2HE2 GLN 28 -6.668 11.415 -7.639 212 H TYR 29 H TYR 29 -9.355 13.188 -1.141 213 HA TYR 29 HA TYR 29 -12.265 13.238 -1.912 214 1HB TYR 29 1HB TYR 29 -10.568 10.957 -0.854 215 2HB TYR 29 2HB TYR 29 -12.294 11.061 -0.528 216 HD1 TYR 29 HD1 TYR 29 -9.995 9.658 -2.807 217 HD2 TYR 29 HD2 TYR 29 -13.908 11.453 -2.497 218 HE1 TYR 29 HE1 TYR 29 -10.813 8.222 -4.660 219 HE2 TYR 29 HE2 TYR 29 -14.703 10.034 -4.367 220 HH TYR 29 HH TYR 29 -12.842 7.330 -5.596 221 H GLY 30 H GLY 30 -10.954 15.254 -0.499 222 1HA GLY 30 1HA GLY 30 -11.232 16.501 1.429 223 2HA GLY 30 2HA GLY 30 -12.601 15.454 1.839 224 H ARG 31 H ARG 31 -12.152 15.026 3.984 225 HA ARG 31 HA ARG 31 -9.474 13.930 4.736 226 1HB ARG 31 1HB ARG 31 -10.019 16.220 5.604 227 2HB ARG 31 2HB ARG 31 -11.418 15.525 6.436 228 1HG ARG 31 1HG ARG 31 -9.710 13.917 7.581 229 2HG ARG 31 2HG ARG 31 -8.455 14.946 6.876 230 1HD ARG 31 1HD ARG 31 -8.862 15.700 9.125 231 2HD ARG 31 2HD ARG 31 -9.539 16.926 8.028 232 HE ARG 31 HE ARG 31 -11.558 15.017 8.661 233 1HH1 ARG 31 1HH1 ARG 31 -9.723 17.603 10.211 234 2HH1 ARG 31 2HH1 ARG 31 -10.928 17.931 11.427 235 1HH2 ARG 31 1HH2 ARG 31 -13.140 15.416 10.247 236 2HH2 ARG 31 2HH2 ARG 31 -12.914 16.660 11.443 237 H LEU 32 H LEU 32 -9.815 11.704 4.829 238 HA LEU 32 HA LEU 32 -12.361 10.695 5.989 239 1HB LEU 32 1HB LEU 32 -10.111 9.181 4.642 240 2HB LEU 32 2HB LEU 32 -11.639 8.530 5.254 241 HG LEU 32 HG LEU 32 -12.599 10.542 3.641 242 1HD1 LEU 32 1HD1 LEU 32 -10.351 11.096 2.752 243 2HD1 LEU 32 2HD1 LEU 32 -10.117 9.395 2.281 244 3HD1 LEU 32 3HD1 LEU 32 -11.368 10.373 1.498 245 1HD2 LEU 32 1HD2 LEU 32 -11.917 7.683 2.870 246 2HD2 LEU 32 2HD2 LEU 32 -13.386 8.229 3.711 247 3HD2 LEU 32 3HD2 LEU 32 -13.093 8.732 2.036 248 H THR 33 H THR 33 -12.342 9.135 7.687 249 HA THR 33 HA THR 33 -10.166 9.571 9.677 250 HB THR 33 HB THR 33 -12.947 8.338 9.953 251 HG1 THR 33 HG1 THR 33 -12.842 10.604 9.429 252 1HG2 THR 33 1HG2 THR 33 -11.368 7.571 11.723 253 2HG2 THR 33 2HG2 THR 33 -10.919 9.264 12.038 254 3HG2 THR 33 3HG2 THR 33 -12.570 8.708 12.367 255 H PHE 34 H PHE 34 -8.550 8.179 8.897 256 HA PHE 34 HA PHE 34 -8.736 5.590 7.903 257 1HB PHE 34 1HB PHE 34 -6.616 6.540 8.041 258 2HB PHE 34 2HB PHE 34 -6.723 6.804 9.793 259 HD1 PHE 34 HD1 PHE 34 -6.455 4.902 11.372 260 HD2 PHE 34 HD2 PHE 34 -6.071 4.322 7.108 261 HE1 PHE 34 HE1 PHE 34 -5.317 2.744 11.757 262 HE2 PHE 34 HE2 PHE 34 -4.915 2.182 7.515 263 HZ PHE 34 HZ PHE 34 -4.468 1.420 9.830 264 H ASN 35 H ASN 35 -9.343 3.686 8.623 265 HA ASN 35 HA ASN 35 -10.094 3.329 11.517 266 1HB ASN 35 1HB ASN 35 -11.269 2.290 8.945 267 2HB ASN 35 2HB ASN 35 -11.370 1.320 10.442 268 1HD2 ASN 35 1HD2 ASN 35 -11.754 4.929 9.885 269 2HD2 ASN 35 2HD2 ASN 35 -13.321 4.931 10.666 270 H LYS 36 H LYS 36 -8.922 1.324 8.705 271 HA LYS 36 HA LYS 36 -6.718 0.280 10.178 272 1HB LYS 36 1HB LYS 36 -8.705 -0.806 11.367 273 2HB LYS 36 2HB LYS 36 -9.032 -1.684 9.871 274 1HG LYS 36 1HG LYS 36 -7.263 -3.129 10.227 275 2HG LYS 36 2HG LYS 36 -6.223 -1.852 10.904 276 1HD LYS 36 1HD LYS 36 -7.438 -1.929 13.019 277 2HD LYS 36 2HD LYS 36 -8.515 -3.190 12.384 278 1HE LYS 36 1HE LYS 36 -6.611 -4.726 12.106 279 2HE LYS 36 2HE LYS 36 -5.471 -3.457 12.589 280 1HZ LYS 36 1HZ LYS 36 -5.940 -4.928 14.377 281 2HZ LYS 36 2HZ LYS 36 -6.484 -3.417 14.737 282 3HZ LYS 36 3HZ LYS 36 -7.553 -4.597 14.305 283 H VAL 37 H VAL 37 -6.202 -2.064 8.831 284 HA VAL 37 HA VAL 37 -6.805 -1.643 5.975 285 HB VAL 37 HB VAL 37 -4.131 -2.626 7.079 286 1HG1 VAL 37 1HG1 VAL 37 -4.777 -3.460 4.806 287 2HG1 VAL 37 2HG1 VAL 37 -4.976 -1.779 4.270 288 3HG1 VAL 37 3HG1 VAL 37 -3.384 -2.378 4.743 289 1HG2 VAL 37 1HG2 VAL 37 -4.802 0.105 5.918 290 2HG2 VAL 37 2HG2 VAL 37 -4.284 -0.225 7.586 291 3HG2 VAL 37 3HG2 VAL 37 -3.166 -0.502 6.245 292 H ILE 38 H ILE 38 -7.236 -3.636 4.905 293 HA ILE 38 HA ILE 38 -7.028 -6.096 6.521 294 HB ILE 38 HB ILE 38 -9.344 -6.770 5.938 295 1HG1 ILE 38 1HG1 ILE 38 -11.028 -4.930 5.605 296 2HG1 ILE 38 2HG1 ILE 38 -9.723 -3.839 5.139 297 1HG2 ILE 38 1HG2 ILE 38 -8.687 -5.903 8.173 298 2HG2 ILE 38 2HG2 ILE 38 -9.226 -4.282 7.677 299 3HG2 ILE 38 3HG2 ILE 38 -10.386 -5.617 7.772 300 1HD1 ILE 38 1HD1 ILE 38 -9.270 -5.188 3.158 301 2HD1 ILE 38 2HD1 ILE 38 -10.322 -6.497 3.760 302 3HD1 ILE 38 3HD1 ILE 38 -11.017 -4.951 3.258 303 H ARG 39 H ARG 39 -7.551 -8.026 5.170 304 HA ARG 39 HA ARG 39 -5.663 -8.035 3.109 305 1HB ARG 39 1HB ARG 39 -6.552 -10.350 2.623 306 2HB ARG 39 2HB ARG 39 -6.027 -10.039 4.268 307 1HG ARG 39 1HG ARG 39 -8.943 -9.535 3.747 308 2HG ARG 39 2HG ARG 39 -8.428 -11.180 3.447 309 1HD ARG 39 1HD ARG 39 -7.302 -10.382 6.018 310 2HD ARG 39 2HD ARG 39 -8.996 -9.918 5.957 311 HE ARG 39 HE ARG 39 -9.587 -12.081 6.169 312 1HH1 ARG 39 1HH1 ARG 39 -6.355 -12.023 4.772 313 2HH1 ARG 39 2HH1 ARG 39 -6.144 -13.754 4.800 314 1HH2 ARG 39 1HH2 ARG 39 -9.352 -14.347 6.198 315 2HH2 ARG 39 2HH2 ARG 39 -7.892 -15.098 5.617 316 HA PRO 40 HA PRO 40 -5.242 -9.365 1.128 317 1HB PRO 40 1HB PRO 40 -4.411 -8.714 -1.369 318 2HB PRO 40 2HB PRO 40 -5.707 -9.911 -1.061 319 1HG PRO 40 1HG PRO 40 -6.017 -6.996 -1.756 320 2HG PRO 40 2HG PRO 40 -6.836 -8.384 -2.530 321 1HD PRO 40 1HD PRO 40 -8.068 -6.931 -0.560 322 2HD PRO 40 2HD PRO 40 -8.269 -8.695 -0.655 323 H CYS 41 H CYS 41 -3.087 -8.716 1.360 324 HA CYS 41 HA CYS 41 -2.353 -5.849 1.206 325 1HB CYS 41 1HB CYS 41 -1.938 -7.679 3.633 326 2HB CYS 41 2HB CYS 41 -1.234 -6.077 3.363 327 HG CYS 41 HG CYS 41 -4.061 -5.444 2.720 328 H MET 42 H MET 42 -1.293 -6.558 -0.752 329 HA MET 42 HA MET 42 0.571 -8.859 -0.446 330 1HB MET 42 1HB MET 42 -1.419 -8.882 -2.085 331 2HB MET 42 2HB MET 42 -0.441 -7.779 -3.075 332 1HG MET 42 1HG MET 42 1.432 -9.477 -2.922 333 2HG MET 42 2HG MET 42 0.325 -10.570 -2.097 334 1HE MET 42 1HE MET 42 -1.702 -11.800 -3.238 335 2HE MET 42 2HE MET 42 -2.420 -10.232 -3.716 336 3HE MET 42 3HE MET 42 -2.205 -11.520 -4.921 337 H LYS 43 H LYS 43 2.715 -8.674 -0.956 338 HA LYS 43 HA LYS 43 3.769 -5.994 -1.709 339 1HB LYS 43 1HB LYS 43 4.107 -6.555 0.680 340 2HB LYS 43 2HB LYS 43 4.860 -8.085 0.204 341 1HG LYS 43 1HG LYS 43 6.702 -6.750 -0.940 342 2HG LYS 43 2HG LYS 43 5.888 -5.274 -0.394 343 1HD LYS 43 1HD LYS 43 7.644 -5.683 1.155 344 2HD LYS 43 2HD LYS 43 6.157 -6.171 1.987 345 1HE LYS 43 1HE LYS 43 6.639 -8.555 1.472 346 2HE LYS 43 2HE LYS 43 8.110 -8.065 0.608 347 1HZ LYS 43 1HZ LYS 43 8.922 -7.166 2.666 348 2HZ LYS 43 2HZ LYS 43 7.547 -7.616 3.455 349 3HZ LYS 43 3HZ LYS 43 8.555 -8.764 2.838 350 H LYS 44 H LYS 44 5.459 -5.961 -3.173 351 HA LYS 44 HA LYS 44 6.744 -8.501 -3.943 352 1HB LYS 44 1HB LYS 44 4.907 -8.099 -5.546 353 2HB LYS 44 2HB LYS 44 5.630 -6.547 -5.983 354 1HG LYS 44 1HG LYS 44 7.728 -8.383 -6.351 355 2HG LYS 44 2HG LYS 44 6.304 -9.324 -6.811 356 1HD LYS 44 1HD LYS 44 5.624 -7.483 -8.361 357 2HD LYS 44 2HD LYS 44 7.077 -6.588 -7.907 358 1HE LYS 44 1HE LYS 44 7.017 -9.317 -9.287 359 2HE LYS 44 2HE LYS 44 7.395 -7.756 -10.038 360 1HZ LYS 44 1HZ LYS 44 9.235 -7.586 -8.434 361 2HZ LYS 44 2HZ LYS 44 8.955 -9.141 -7.985 362 3HZ LYS 44 3HZ LYS 44 9.401 -8.812 -9.536 363 H THR 45 H THR 45 8.906 -8.214 -4.343 364 HA THR 45 HA THR 45 10.220 -5.684 -3.891 365 HB THR 45 HB THR 45 11.288 -7.879 -3.514 366 HG1 THR 45 HG1 THR 45 13.282 -7.220 -4.408 367 1HG2 THR 45 1HG2 THR 45 10.495 -9.081 -5.571 368 2HG2 THR 45 2HG2 THR 45 11.540 -8.035 -6.553 369 3HG2 THR 45 3HG2 THR 45 12.254 -9.144 -5.378 370 H ILE 46 H ILE 46 11.071 -4.190 -5.340 371 HA ILE 46 HA ILE 46 10.190 -4.414 -8.162 372 HB ILE 46 HB ILE 46 9.322 -2.527 -6.318 373 1HG1 ILE 46 1HG1 ILE 46 8.339 -1.413 -8.330 374 2HG1 ILE 46 2HG1 ILE 46 9.264 -2.512 -9.357 375 1HG2 ILE 46 1HG2 ILE 46 11.423 -1.238 -6.488 376 2HG2 ILE 46 2HG2 ILE 46 11.212 -1.133 -8.253 377 3HG2 ILE 46 3HG2 ILE 46 10.052 -0.362 -7.156 378 1HD1 ILE 46 1HD1 ILE 46 8.021 -4.436 -8.427 379 2HD1 ILE 46 2HD1 ILE 46 7.254 -3.389 -7.218 380 3HD1 ILE 46 3HD1 ILE 46 6.872 -3.194 -8.941 381 H TYR 47 H TYR 47 11.636 -4.361 -9.648 382 HA TYR 47 HA TYR 47 14.475 -3.850 -8.972 383 1HB TYR 47 1HB TYR 47 13.187 -5.205 -11.367 384 2HB TYR 47 2HB TYR 47 14.915 -5.049 -11.094 385 HD1 TYR 47 HD1 TYR 47 11.886 -6.923 -10.223 386 HD2 TYR 47 HD2 TYR 47 16.058 -6.335 -9.311 387 HE1 TYR 47 HE1 TYR 47 11.941 -9.096 -9.035 388 HE2 TYR 47 HE2 TYR 47 16.108 -8.487 -8.112 389 HH TYR 47 HH TYR 47 14.876 -10.320 -7.407 390 H GLU 48 H GLU 48 15.710 -2.921 -10.837 391 HA GLU 48 HA GLU 48 14.361 -1.349 -12.820 392 1HB GLU 48 1HB GLU 48 14.432 0.108 -10.685 393 2HB GLU 48 2HB GLU 48 16.180 0.190 -10.933 394 1HG GLU 48 1HG GLU 48 14.958 0.835 -13.461 395 2HG GLU 48 2HG GLU 48 13.963 1.623 -12.238 396 H ASN 49 H ASN 49 16.990 0.179 -13.116 397 HA ASN 49 HA ASN 49 18.908 0.074 -14.167 398 1HB ASN 49 1HB ASN 49 19.569 -1.404 -12.290 399 2HB ASN 49 2HB ASN 49 19.159 -2.792 -13.298 400 1HD2 ASN 49 1HD2 ASN 49 20.395 -2.667 -15.679 401 2HD2 ASN 49 2HD2 ASN 49 22.067 -2.179 -15.479 402 H GLU 50 H GLU 50 16.990 -2.874 -14.770 403 HA GLU 50 HA GLU 50 16.365 -3.961 -16.597 404 1HB GLU 50 1HB GLU 50 15.628 -1.753 -17.357 405 2HB GLU 50 2HB GLU 50 17.197 -1.447 -18.101 406 1HG GLU 50 1HG GLU 50 15.484 -2.016 -19.745 407 2HG GLU 50 2HG GLU 50 16.812 -3.166 -19.782 408 H GLY 51 H GLY 51 17.231 -5.039 -18.617 409 1HA GLY 51 1HA GLY 51 18.797 -6.288 -19.686 410 2HA GLY 51 2HA GLY 51 19.960 -4.987 -19.394 411 H PHE 52 H PHE 52 21.001 -4.956 -17.323 412 HA PHE 52 HA PHE 52 21.954 -7.549 -16.359 413 1HB PHE 52 1HB PHE 52 22.398 -4.749 -15.248 414 2HB PHE 52 2HB PHE 52 23.275 -6.200 -14.803 415 HD1 PHE 52 HD1 PHE 52 22.939 -3.525 -17.313 416 HD2 PHE 52 HD2 PHE 52 24.791 -7.331 -16.467 417 HE1 PHE 52 HE1 PHE 52 24.537 -3.165 -19.170 418 HE2 PHE 52 HE2 PHE 52 26.390 -6.958 -18.324 419 HZ PHE 52 HZ PHE 52 26.267 -4.877 -19.678 420 H ARG 53 H ARG 53 19.714 -5.015 -15.377 421 HA ARG 53 HA ARG 53 18.013 -4.929 -13.901 422 1HB ARG 53 1HB ARG 53 18.609 -7.756 -12.992 423 2HB ARG 53 2HB ARG 53 17.154 -6.832 -12.681 424 1HG ARG 53 1HG ARG 53 16.392 -6.989 -14.916 425 2HG ARG 53 2HG ARG 53 17.973 -7.498 -15.541 426 1HD ARG 53 1HD ARG 53 17.903 -9.573 -14.317 427 2HD ARG 53 2HD ARG 53 16.319 -9.155 -13.611 428 HE ARG 53 HE ARG 53 15.922 -8.951 -16.334 429 1HH1 ARG 53 1HH1 ARG 53 17.096 -11.514 -14.202 430 2HH1 ARG 53 2HH1 ARG 53 16.547 -12.813 -15.222 431 1HH2 ARG 53 1HH2 ARG 53 15.169 -10.638 -17.666 432 2HH2 ARG 53 2HH2 ARG 53 15.418 -12.304 -17.220 433 H GLU 54 H GLU 54 17.733 -4.416 -11.601 434 HA GLU 54 HA GLU 54 19.628 -5.318 -9.683 435 1HB GLU 54 1HB GLU 54 20.838 -3.326 -10.769 436 2HB GLU 54 2HB GLU 54 19.521 -2.300 -10.167 437 1HG GLU 54 1HG GLU 54 20.107 -2.897 -7.842 438 2HG GLU 54 2HG GLU 54 21.341 -4.028 -8.433 439 H ILE 55 H ILE 55 18.791 -4.879 -7.513 440 HA ILE 55 HA ILE 55 15.895 -4.557 -7.359 441 HB ILE 55 HB ILE 55 18.065 -4.712 -5.236 442 1HG1 ILE 55 1HG1 ILE 55 16.040 -6.854 -6.005 443 2HG1 ILE 55 2HG1 ILE 55 17.636 -6.765 -6.761 444 1HG2 ILE 55 1HG2 ILE 55 16.090 -3.562 -4.322 445 2HG2 ILE 55 2HG2 ILE 55 15.024 -4.827 -4.967 446 3HG2 ILE 55 3HG2 ILE 55 16.167 -5.185 -3.660 447 1HD1 ILE 55 1HD1 ILE 55 18.734 -6.958 -4.558 448 2HD1 ILE 55 2HD1 ILE 55 17.144 -7.179 -3.793 449 3HD1 ILE 55 3HD1 ILE 55 17.734 -8.361 -4.972 450 H LYS 56 H LYS 56 14.802 -2.613 -6.902 451 HA LYS 56 HA LYS 56 16.501 -0.232 -6.195 452 1HB LYS 56 1HB LYS 56 15.473 -0.260 -8.537 453 2HB LYS 56 2HB LYS 56 13.907 -0.109 -7.716 454 1HG LYS 56 1HG LYS 56 14.960 1.964 -6.502 455 2HG LYS 56 2HG LYS 56 16.330 1.740 -7.582 456 1HD LYS 56 1HD LYS 56 15.095 3.475 -8.489 457 2HD LYS 56 2HD LYS 56 14.725 2.119 -9.540 458 1HE LYS 56 1HE LYS 56 12.932 2.939 -7.194 459 2HE LYS 56 2HE LYS 56 12.821 3.709 -8.784 460 1HZ LYS 56 1HZ LYS 56 12.371 1.577 -9.745 461 2HZ LYS 56 2HZ LYS 56 12.382 0.863 -8.259 462 3HZ LYS 56 3HZ LYS 56 11.247 1.991 -8.615 463 H GLY 57 H GLY 57 13.441 -2.046 -5.565 464 1HA GLY 57 1HA GLY 57 13.155 -0.818 -2.958 465 2HA GLY 57 2HA GLY 57 12.144 -0.053 -4.218 466 H TYR 58 H TYR 58 10.278 -0.812 -3.006 467 HA TYR 58 HA TYR 58 9.429 -3.484 -3.898 468 1HB TYR 58 1HB TYR 58 8.856 -2.522 -1.088 469 2HB TYR 58 2HB TYR 58 8.559 -4.097 -1.781 470 HD1 TYR 58 HD1 TYR 58 11.234 -1.807 -0.534 471 HD2 TYR 58 HD2 TYR 58 10.225 -5.852 -1.626 472 HE1 TYR 58 HE1 TYR 58 13.479 -2.558 0.175 473 HE2 TYR 58 HE2 TYR 58 12.509 -6.584 -1.026 474 HH TYR 58 HH TYR 58 14.590 -5.928 -0.279 475 H GLU 59 H GLU 59 7.095 -3.638 -3.782 476 HA GLU 59 HA GLU 59 5.621 -1.084 -3.445 477 1HB GLU 59 1HB GLU 59 5.265 -3.091 -5.707 478 2HB GLU 59 2HB GLU 59 4.028 -1.922 -5.218 479 1HG GLU 59 1HG GLU 59 5.600 -0.051 -5.606 480 2HG GLU 59 2HG GLU 59 6.837 -1.191 -6.148 481 H TYR 60 H TYR 60 3.502 -1.313 -2.644 482 HA TYR 60 HA TYR 60 2.769 -3.946 -1.457 483 1HB TYR 60 1HB TYR 60 2.726 -1.245 -0.077 484 2HB TYR 60 2HB TYR 60 2.084 -2.740 0.561 485 HD1 TYR 60 HD1 TYR 60 3.419 -4.110 1.916 486 HD2 TYR 60 HD2 TYR 60 5.288 -1.080 -0.513 487 HE1 TYR 60 HE1 TYR 60 5.502 -4.307 3.253 488 HE2 TYR 60 HE2 TYR 60 7.405 -1.403 0.719 489 HH TYR 60 HH TYR 60 8.409 -2.363 2.585 490 H GLN 61 H GLN 61 0.765 -4.354 -2.216 491 HA GLN 61 HA GLN 61 -1.107 -2.116 -2.925 492 1HB GLN 61 1HB GLN 61 -0.433 -3.540 -4.797 493 2HB GLN 61 2HB GLN 61 -0.962 -4.986 -3.938 494 1HG GLN 61 1HG GLN 61 -3.081 -2.909 -4.037 495 2HG GLN 61 2HG GLN 61 -2.447 -3.302 -5.633 496 1HE2 GLN 61 1HE2 GLN 61 -2.899 -5.538 -2.797 497 2HE2 GLN 61 2HE2 GLN 61 -4.038 -6.562 -3.655 498 H LEU 62 H LEU 62 -2.519 -1.788 -1.210 499 HA LEU 62 HA LEU 62 -3.554 -4.172 0.204 500 1HB LEU 62 1HB LEU 62 -3.087 -3.073 2.397 501 2HB LEU 62 2HB LEU 62 -1.687 -3.654 1.504 502 HG LEU 62 HG LEU 62 -1.288 -1.253 0.708 503 1HD1 LEU 62 1HD1 LEU 62 -3.170 -0.650 3.043 504 2HD1 LEU 62 2HD1 LEU 62 -2.126 0.520 2.216 505 3HD1 LEU 62 3HD1 LEU 62 -3.467 -0.229 1.349 506 1HD2 LEU 62 1HD2 LEU 62 -1.062 -1.911 3.667 507 2HD2 LEU 62 2HD2 LEU 62 0.074 -2.417 2.398 508 3HD2 LEU 62 3HD2 LEU 62 -0.110 -0.700 2.784 509 H TYR 63 H TYR 63 -5.506 -3.876 1.389 510 HA TYR 63 HA TYR 63 -7.165 -1.714 0.248 511 1HB TYR 63 1HB TYR 63 -7.643 -4.515 1.235 512 2HB TYR 63 2HB TYR 63 -8.930 -3.334 1.177 513 HD1 TYR 63 HD1 TYR 63 -6.230 -4.779 -1.003 514 HD2 TYR 63 HD2 TYR 63 -10.113 -2.914 -0.848 515 HE1 TYR 63 HE1 TYR 63 -6.515 -5.165 -3.430 516 HE2 TYR 63 HE2 TYR 63 -10.403 -3.325 -3.269 517 HH TYR 63 HH TYR 63 -7.897 -4.919 -5.256 518 H VAL 64 H VAL 64 -7.246 0.015 1.479 519 HA VAL 64 HA VAL 64 -6.979 -0.178 4.421 520 HB VAL 64 HB VAL 64 -5.291 1.140 3.422 521 1HG1 VAL 64 1HG1 VAL 64 -6.297 1.837 1.294 522 2HG1 VAL 64 2HG1 VAL 64 -7.451 2.878 2.160 523 3HG1 VAL 64 3HG1 VAL 64 -5.715 3.229 2.207 524 1HG2 VAL 64 1HG2 VAL 64 -7.303 3.050 4.682 525 2HG2 VAL 64 2HG2 VAL 64 -6.352 1.867 5.596 526 3HG2 VAL 64 3HG2 VAL 64 -5.531 3.154 4.699 527 H TYR 65 H TYR 65 -8.560 0.453 5.751 528 HA TYR 65 HA TYR 65 -11.181 1.232 4.607 529 1HB TYR 65 1HB TYR 65 -10.299 -0.556 6.750 530 2HB TYR 65 2HB TYR 65 -11.360 0.669 7.396 531 HD1 TYR 65 HD1 TYR 65 -11.560 -2.541 6.629 532 HD2 TYR 65 HD2 TYR 65 -13.400 1.178 5.465 533 HE1 TYR 65 HE1 TYR 65 -13.649 -3.747 6.054 534 HE2 TYR 65 HE2 TYR 65 -15.474 -0.038 4.862 535 HH TYR 65 HH TYR 65 -16.589 -2.041 4.982 536 H ALA 66 H ALA 66 -11.733 3.345 4.788 537 HA ALA 66 HA ALA 66 -10.865 4.864 7.178 538 1HB ALA 66 1HB ALA 66 -9.262 5.368 5.312 539 2HB ALA 66 2HB ALA 66 -10.627 5.914 4.323 540 3HB ALA 66 3HB ALA 66 -10.212 6.775 5.825 541 H SER 67 H SER 67 -12.545 5.994 8.001 542 HA SER 67 HA SER 67 -14.732 6.499 8.405 543 1HB SER 67 1HB SER 67 -14.728 7.400 5.494 544 2HB SER 67 2HB SER 67 -15.839 7.917 6.771 545 HG SER 67 HG SER 67 -14.195 9.430 6.489 546 H ASP 68 H ASP 68 -14.360 3.818 7.811 547 HA ASP 68 HA ASP 68 -15.249 1.908 7.072 548 1HB ASP 68 1HB ASP 68 -16.976 2.671 8.698 549 2HB ASP 68 2HB ASP 68 -17.905 3.360 7.353 550 H LYS 69 H LYS 69 -14.437 3.749 4.944 551 HA LYS 69 HA LYS 69 -15.935 2.462 2.708 552 1HB LYS 69 1HB LYS 69 -14.534 5.151 2.911 553 2HB LYS 69 2HB LYS 69 -14.922 4.393 1.364 554 1HG LYS 69 1HG LYS 69 -17.058 4.867 3.471 555 2HG LYS 69 2HG LYS 69 -16.547 6.159 2.375 556 1HD LYS 69 1HD LYS 69 -17.094 4.830 0.404 557 2HD LYS 69 2HD LYS 69 -17.568 3.444 1.402 558 1HE LYS 69 1HE LYS 69 -18.908 6.188 1.507 559 2HE LYS 69 2HE LYS 69 -19.495 4.813 0.554 560 1HZ LYS 69 1HZ LYS 69 -19.711 3.564 2.569 561 2HZ LYS 69 2HZ LYS 69 -19.183 4.839 3.472 562 3HZ LYS 69 3HZ LYS 69 -20.603 4.947 2.644 563 H LEU 70 H LEU 70 -14.681 1.083 1.551 564 HA LEU 70 HA LEU 70 -11.908 0.687 2.468 565 1HB LEU 70 1HB LEU 70 -13.617 -1.174 2.489 566 2HB LEU 70 2HB LEU 70 -13.672 -1.052 0.734 567 HG LEU 70 HG LEU 70 -11.099 -1.474 0.808 568 1HD1 LEU 70 1HD1 LEU 70 -10.852 -1.057 3.291 569 2HD1 LEU 70 2HD1 LEU 70 -11.867 -2.480 3.584 570 3HD1 LEU 70 3HD1 LEU 70 -10.285 -2.654 2.815 571 1HD2 LEU 70 1HD2 LEU 70 -13.054 -3.636 1.714 572 2HD2 LEU 70 2HD2 LEU 70 -12.723 -3.158 0.035 573 3HD2 LEU 70 3HD2 LEU 70 -11.454 -3.930 0.999 574 H PHE 71 H PHE 71 -10.229 1.306 1.219 575 HA PHE 71 HA PHE 71 -10.622 1.870 -1.694 576 1HB PHE 71 1HB PHE 71 -9.049 3.433 0.398 577 2HB PHE 71 2HB PHE 71 -8.849 3.642 -1.328 578 HD1 PHE 71 HD1 PHE 71 -11.246 4.077 1.499 579 HD2 PHE 71 HD2 PHE 71 -10.323 5.011 -2.611 580 HE1 PHE 71 HE1 PHE 71 -12.894 5.923 1.533 581 HE2 PHE 71 HE2 PHE 71 -12.033 6.802 -2.585 582 HZ PHE 71 HZ PHE 71 -13.312 7.273 -0.511 583 H ARG 72 H ARG 72 -8.750 1.400 -2.951 584 HA ARG 72 HA ARG 72 -6.866 -0.550 -1.716 585 1HB ARG 72 1HB ARG 72 -8.098 -1.143 -3.859 586 2HB ARG 72 2HB ARG 72 -7.157 0.142 -4.648 587 1HG ARG 72 1HG ARG 72 -5.053 -1.051 -3.684 588 2HG ARG 72 2HG ARG 72 -6.147 -2.350 -3.219 589 1HD ARG 72 1HD ARG 72 -5.403 -3.079 -5.262 590 2HD ARG 72 2HD ARG 72 -6.876 -2.254 -5.778 591 HE ARG 72 HE ARG 72 -5.161 -0.228 -5.994 592 1HH1 ARG 72 1HH1 ARG 72 -4.626 -3.606 -7.041 593 2HH1 ARG 72 2HH1 ARG 72 -3.566 -3.142 -8.335 594 1HH2 ARG 72 1HH2 ARG 72 -3.605 0.308 -7.517 595 2HH2 ARG 72 2HH2 ARG 72 -2.905 -0.894 -8.560 596 H ALA 73 H ALA 73 -4.855 0.255 -1.173 597 HA ALA 73 HA ALA 73 -3.929 2.767 -2.497 598 1HB ALA 73 1HB ALA 73 -4.351 3.096 -0.088 599 2HB ALA 73 2HB ALA 73 -3.205 1.788 0.277 600 3HB ALA 73 3HB ALA 73 -2.643 3.264 -0.533 601 H ASP 74 H ASP 74 -2.074 2.595 -3.580 602 HA ASP 74 HA ASP 74 -0.414 0.108 -3.344 603 1HB ASP 74 1HB ASP 74 -1.340 0.349 -5.588 604 2HB ASP 74 2HB ASP 74 -0.698 2.009 -5.685 605 H ILE 75 H ILE 75 1.406 0.479 -2.343 606 HA ILE 75 HA ILE 75 2.440 3.252 -1.961 607 HB ILE 75 HB ILE 75 3.060 0.926 -0.142 608 1HG1 ILE 75 1HG1 ILE 75 0.633 0.904 -0.090 609 2HG1 ILE 75 2HG1 ILE 75 1.305 1.498 1.417 610 1HG2 ILE 75 1HG2 ILE 75 4.428 2.893 0.118 611 2HG2 ILE 75 2HG2 ILE 75 3.001 3.925 0.316 612 3HG2 ILE 75 3HG2 ILE 75 3.394 2.698 1.536 613 1HD1 ILE 75 1HD1 ILE 75 0.764 3.818 0.820 614 2HD1 ILE 75 2HD1 ILE 75 0.170 3.292 -0.768 615 3HD1 ILE 75 3HD1 ILE 75 -0.661 2.774 0.708 616 H SER 76 H SER 76 4.718 3.462 -2.201 617 HA SER 76 HA SER 76 6.231 1.116 -3.286 618 1HB SER 76 1HB SER 76 5.968 2.846 -5.002 619 2HB SER 76 2HB SER 76 6.608 4.075 -3.886 620 HG SER 76 HG SER 76 8.172 3.142 -5.381 621 H GLU 77 H GLU 77 8.348 0.977 -2.497 622 HA GLU 77 HA GLU 77 9.290 2.771 -0.299 623 1HB GLU 77 1HB GLU 77 8.418 0.738 0.754 624 2HB GLU 77 2HB GLU 77 9.388 -0.253 -0.361 625 1HG GLU 77 1HG GLU 77 11.473 0.818 0.604 626 2HG GLU 77 2HG GLU 77 10.445 1.642 1.788 627 H ASP 78 H ASP 78 11.063 3.726 -1.150 628 HA ASP 78 HA ASP 78 12.578 2.332 -3.315 629 1HB ASP 78 1HB ASP 78 12.078 4.705 -3.652 630 2HB ASP 78 2HB ASP 78 12.886 5.111 -2.129 631 H TYR 79 H TYR 79 14.376 1.143 -2.783 632 HA TYR 79 HA TYR 79 15.001 0.538 -0.106 633 1HB TYR 79 1HB TYR 79 15.412 -0.874 -2.127 634 2HB TYR 79 2HB TYR 79 16.727 0.195 -2.598 635 HD1 TYR 79 HD1 TYR 79 15.756 -2.657 -0.605 636 HD2 TYR 79 HD2 TYR 79 18.795 0.361 -1.107 637 HE1 TYR 79 HE1 TYR 79 17.342 -4.029 0.712 638 HE2 TYR 79 HE2 TYR 79 20.367 -0.998 0.223 639 HH TYR 79 HH TYR 79 20.683 -2.959 1.396 640 H LYS 80 H LYS 80 16.661 2.682 -2.440 641 HA LYS 80 HA LYS 80 18.954 3.079 -0.796 642 1HB LYS 80 1HB LYS 80 18.821 3.195 -3.275 643 2HB LYS 80 2HB LYS 80 17.992 4.756 -3.156 644 1HG LYS 80 1HG LYS 80 19.934 5.727 -1.998 645 2HG LYS 80 2HG LYS 80 20.765 4.166 -2.001 646 1HD LYS 80 1HD LYS 80 19.921 5.678 -4.519 647 2HD LYS 80 2HD LYS 80 21.525 5.775 -3.779 648 1HE LYS 80 1HE LYS 80 21.812 3.305 -4.081 649 2HE LYS 80 2HE LYS 80 20.256 3.240 -4.929 650 1HZ LYS 80 1HZ LYS 80 21.128 4.732 -6.553 651 2HZ LYS 80 2HZ LYS 80 22.584 4.799 -5.781 652 3HZ LYS 80 3HZ LYS 80 22.061 3.380 -6.435 653 H THR 81 H THR 81 16.193 5.284 -1.589 654 HA THR 81 HA THR 81 16.887 7.303 0.314 655 HB THR 81 HB THR 81 14.095 6.537 -0.634 656 HG1 THR 81 HG1 THR 81 14.601 7.916 -2.415 657 1HG2 THR 81 1HG2 THR 81 14.210 8.348 1.064 658 2HG2 THR 81 2HG2 THR 81 15.366 9.230 0.044 659 3HG2 THR 81 3HG2 THR 81 13.698 8.977 -0.509 660 H ARG 82 H ARG 82 15.122 4.225 0.462 661 HA ARG 82 HA ARG 82 14.318 2.978 2.080 662 1HB ARG 82 1HB ARG 82 16.687 3.768 3.117 663 2HB ARG 82 2HB ARG 82 15.624 4.579 4.282 664 1HG ARG 82 1HG ARG 82 14.429 2.215 4.341 665 2HG ARG 82 2HG ARG 82 15.950 1.653 3.604 666 1HD ARG 82 1HD ARG 82 17.190 2.705 5.548 667 2HD ARG 82 2HD ARG 82 15.616 3.178 6.236 668 HE ARG 82 HE ARG 82 15.809 0.331 5.693 669 1HH1 ARG 82 1HH1 ARG 82 16.641 2.837 8.048 670 2HH1 ARG 82 2HH1 ARG 82 16.693 1.745 9.405 671 1HH2 ARG 82 1HH2 ARG 82 15.913 -1.117 7.451 672 2HH2 ARG 82 2HH2 ARG 82 16.289 -0.544 9.052 673 H GLY 83 H GLY 83 12.852 5.082 1.083 674 1HA GLY 83 1HA GLY 83 11.129 5.972 3.382 675 2HA GLY 83 2HA GLY 83 11.556 7.024 2.023 676 H ARG 84 H ARG 84 8.927 5.768 2.994 677 HA ARG 84 HA ARG 84 8.151 4.297 0.578 678 1HB ARG 84 1HB ARG 84 6.471 5.019 2.972 679 2HB ARG 84 2HB ARG 84 6.055 3.912 1.678 680 1HG ARG 84 1HG ARG 84 6.637 2.320 3.061 681 2HG ARG 84 2HG ARG 84 8.279 2.636 2.493 682 1HD ARG 84 1HD ARG 84 7.083 4.002 4.951 683 2HD ARG 84 2HD ARG 84 7.785 2.375 5.034 684 HE ARG 84 HE ARG 84 9.774 3.863 3.849 685 1HH1 ARG 84 1HH1 ARG 84 7.973 3.876 6.889 686 2HH1 ARG 84 2HH1 ARG 84 9.327 4.386 7.859 687 1HH2 ARG 84 1HH2 ARG 84 11.612 4.527 5.157 688 2HH2 ARG 84 2HH2 ARG 84 11.391 4.782 6.857 689 H LYS 85 H LYS 85 6.079 4.922 -0.402 690 HA LYS 85 HA LYS 85 4.957 7.481 0.122 691 1HB LYS 85 1HB LYS 85 5.431 8.725 -1.836 692 2HB LYS 85 2HB LYS 85 6.953 8.237 -1.116 693 1HG LYS 85 1HG LYS 85 7.320 8.003 -3.361 694 2HG LYS 85 2HG LYS 85 7.059 6.337 -2.833 695 1HD LYS 85 1HD LYS 85 4.963 6.215 -3.965 696 2HD LYS 85 2HD LYS 85 4.699 7.961 -3.826 697 1HE LYS 85 1HE LYS 85 5.088 7.406 -6.131 698 2HE LYS 85 2HE LYS 85 6.413 8.405 -5.528 699 1HZ LYS 85 1HZ LYS 85 7.706 6.400 -5.258 700 2HZ LYS 85 2HZ LYS 85 6.465 5.484 -5.845 701 3HZ LYS 85 3HZ LYS 85 7.212 6.581 -6.820 702 H LEU 86 H LEU 86 2.984 7.902 -1.009 703 HA LEU 86 HA LEU 86 1.550 5.501 -1.761 704 1HB LEU 86 1HB LEU 86 0.544 7.457 -0.572 705 2HB LEU 86 2HB LEU 86 0.831 8.446 -2.001 706 HG LEU 86 HG LEU 86 -0.555 6.239 -3.051 707 1HD1 LEU 86 1HD1 LEU 86 -0.975 5.476 -0.707 708 2HD1 LEU 86 2HD1 LEU 86 -1.879 6.983 -0.423 709 3HD1 LEU 86 3HD1 LEU 86 -2.446 5.809 -1.632 710 1HD2 LEU 86 1HD2 LEU 86 -1.719 8.875 -2.068 711 2HD2 LEU 86 2HD2 LEU 86 -0.889 8.620 -3.620 712 3HD2 LEU 86 3HD2 LEU 86 -2.420 7.799 -3.297 713 H LEU 87 H LEU 87 1.673 4.582 -3.794 714 HA LEU 87 HA LEU 87 2.516 6.163 -6.151 715 1HB LEU 87 1HB LEU 87 1.715 3.275 -5.700 716 2HB LEU 87 2HB LEU 87 1.740 3.955 -7.323 717 HG LEU 87 HG LEU 87 4.152 4.072 -5.495 718 1HD1 LEU 87 1HD1 LEU 87 3.579 1.706 -5.828 719 2HD1 LEU 87 2HD1 LEU 87 3.360 1.974 -7.573 720 3HD1 LEU 87 3HD1 LEU 87 4.970 2.094 -6.861 721 1HD2 LEU 87 1HD2 LEU 87 3.837 4.278 -8.533 722 2HD2 LEU 87 2HD2 LEU 87 4.192 5.637 -7.455 723 3HD2 LEU 87 3HD2 LEU 87 5.373 4.339 -7.650 724 H ARG 88 H ARG 88 -0.457 4.514 -4.871 725 HA ARG 88 HA ARG 88 -2.045 6.625 -6.057 726 1HB ARG 88 1HB ARG 88 -3.068 5.582 -7.819 727 2HB ARG 88 2HB ARG 88 -1.465 4.866 -7.943 728 1HG ARG 88 1HG ARG 88 -2.568 2.941 -6.427 729 2HG ARG 88 2HG ARG 88 -4.065 3.662 -7.018 730 1HD ARG 88 1HD ARG 88 -3.636 2.031 -8.627 731 2HD ARG 88 2HD ARG 88 -2.950 3.465 -9.392 732 HE ARG 88 HE ARG 88 -0.880 2.294 -7.884 733 1HH1 ARG 88 1HH1 ARG 88 -2.891 1.449 -10.656 734 2HH1 ARG 88 2HH1 ARG 88 -1.741 0.327 -11.333 735 1HH2 ARG 88 1HH2 ARG 88 0.584 0.760 -8.677 736 2HH2 ARG 88 2HH2 ARG 88 0.306 -0.037 -10.205 737 H PHE 89 H PHE 89 -4.341 6.406 -5.606 738 HA PHE 89 HA PHE 89 -5.093 4.574 -3.392 739 1HB PHE 89 1HB PHE 89 -4.344 6.810 -2.505 740 2HB PHE 89 2HB PHE 89 -5.598 7.581 -3.452 741 HD1 PHE 89 HD1 PHE 89 -4.790 5.574 -0.474 742 HD2 PHE 89 HD2 PHE 89 -7.986 7.327 -2.787 743 HE1 PHE 89 HE1 PHE 89 -6.266 5.522 1.518 744 HE2 PHE 89 HE2 PHE 89 -9.433 7.319 -0.769 745 HZ PHE 89 HZ PHE 89 -8.596 6.387 1.364 746 H ASN 90 H ASN 90 -6.609 3.381 -4.594 747 HA ASN 90 HA ASN 90 -8.504 4.859 -6.373 748 1HB ASN 90 1HB ASN 90 -7.773 1.902 -6.281 749 2HB ASN 90 2HB ASN 90 -8.919 2.659 -7.375 750 1HD2 ASN 90 1HD2 ASN 90 -7.644 4.899 -8.376 751 2HD2 ASN 90 2HD2 ASN 90 -6.197 4.386 -9.220 752 H GLY 91 H GLY 91 -10.695 4.370 -6.160 753 1HA GLY 91 1HA GLY 91 -12.236 2.627 -5.211 754 2HA GLY 91 2HA GLY 91 -11.546 3.022 -3.630 755 HA PRO 92 HA PRO 92 -13.222 3.101 -2.187 756 1HB PRO 92 1HB PRO 92 -15.897 2.822 -1.689 757 2HB PRO 92 2HB PRO 92 -14.887 4.151 -1.059 758 1HG PRO 92 1HG PRO 92 -16.640 4.182 -3.538 759 2HG PRO 92 2HG PRO 92 -16.617 5.384 -2.214 760 1HD PRO 92 1HD PRO 92 -15.224 5.783 -4.519 761 2HD PRO 92 2HD PRO 92 -14.519 6.257 -2.949 762 H VAL 93 H VAL 93 -13.607 0.836 -2.227 763 HA VAL 93 HA VAL 93 -15.063 -0.324 -4.520 764 HB VAL 93 HB VAL 93 -13.078 -2.038 -4.587 765 1HG1 VAL 93 1HG1 VAL 93 -12.068 -0.818 -6.469 766 2HG1 VAL 93 2HG1 VAL 93 -13.837 -0.776 -6.510 767 3HG1 VAL 93 3HG1 VAL 93 -12.931 0.653 -5.979 768 1HG2 VAL 93 1HG2 VAL 93 -11.518 0.466 -3.797 769 2HG2 VAL 93 2HG2 VAL 93 -11.722 -0.972 -2.772 770 3HG2 VAL 93 3HG2 VAL 93 -10.859 -1.089 -4.313 771 HA PRO 94 HA PRO 94 -16.287 -2.694 -0.942 772 1HB PRO 94 1HB PRO 94 -17.916 -4.579 -2.092 773 2HB PRO 94 2HB PRO 94 -18.368 -2.850 -2.017 774 1HG PRO 94 1HG PRO 94 -17.067 -4.329 -4.326 775 2HG PRO 94 2HG PRO 94 -18.520 -3.289 -4.382 776 1HD PRO 94 1HD PRO 94 -16.032 -2.357 -5.014 777 2HD PRO 94 2HD PRO 94 -17.213 -1.319 -4.155 778 HA PRO 95 HA PRO 95 -13.545 -6.285 -1.074 779 1HB PRO 95 1HB PRO 95 -14.655 -7.963 0.797 780 2HB PRO 95 2HB PRO 95 -13.838 -6.435 1.244 781 1HG PRO 95 1HG PRO 95 -16.810 -6.900 0.849 782 2HG PRO 95 2HG PRO 95 -16.006 -6.130 2.250 783 1HD PRO 95 1HD PRO 95 -17.080 -4.668 0.220 784 2HD PRO 95 2HD PRO 95 -15.557 -4.155 1.001 785 HA PRO 96 HA PRO 96 -15.675 -9.027 -3.899 786 1HB PRO 96 1HB PRO 96 -14.306 -11.389 -3.672 787 2HB PRO 96 2HB PRO 96 -13.599 -9.925 -4.416 788 1HG PRO 96 1HG PRO 96 -13.265 -10.882 -1.557 789 2HG PRO 96 2HG PRO 96 -11.978 -10.401 -2.705 790 1HD PRO 96 1HD PRO 96 -12.950 -8.665 -0.857 791 2HD PRO 96 2HD PRO 96 -12.565 -8.098 -2.509 Start of MODEL 2 1 1H GLY 1 1H GLY 1 7.763 -12.077 0.949 2 2H GLY 1 2H GLY 1 8.943 -13.202 0.796 3 3H GLY 1 3H GLY 1 9.206 -11.863 1.734 4 1HA GLY 1 1HA GLY 1 9.070 -10.449 -0.194 5 2HA GLY 1 2HA GLY 1 10.355 -11.666 -0.359 6 H GLU 2 H GLU 2 9.595 -10.645 -2.697 7 HA GLU 2 HA GLU 2 8.694 -11.050 -4.753 8 1HB GLU 2 1HB GLU 2 9.325 -13.578 -3.846 9 2HB GLU 2 2HB GLU 2 7.599 -13.756 -4.154 10 1HG GLU 2 1HG GLU 2 8.023 -12.902 -6.512 11 2HG GLU 2 2HG GLU 2 9.740 -12.755 -6.105 12 H TRP 3 H TRP 3 6.377 -12.114 -5.662 13 HA TRP 3 HA TRP 3 4.303 -10.450 -4.541 14 1HB TRP 3 1HB TRP 3 4.372 -12.613 -6.611 15 2HB TRP 3 2HB TRP 3 2.836 -12.220 -5.858 16 HD1 TRP 3 HD1 TRP 3 4.363 -11.444 -8.896 17 HE1 TRP 3 HE1 TRP 3 3.612 -9.212 -9.872 18 HE3 TRP 3 HE3 TRP 3 2.281 -9.372 -4.695 19 HZ2 TRP 3 HZ2 TRP 3 2.349 -6.774 -8.933 20 HZ3 TRP 3 HZ3 TRP 3 1.527 -7.022 -4.715 21 HH2 TRP 3 HH2 TRP 3 1.449 -5.747 -6.849 22 H GLU 4 H GLU 4 3.808 -10.802 -2.388 23 HA GLU 4 HA GLU 4 2.577 -13.398 -1.735 24 1HB GLU 4 1HB GLU 4 4.994 -13.683 -1.258 25 2HB GLU 4 2HB GLU 4 4.962 -12.264 -0.198 26 1HG GLU 4 1HG GLU 4 4.991 -14.411 1.025 27 2HG GLU 4 2HG GLU 4 3.558 -13.473 1.404 28 H ILE 5 H ILE 5 1.389 -13.316 0.292 29 HA ILE 5 HA ILE 5 0.193 -10.656 0.721 30 HB ILE 5 HB ILE 5 -0.495 -13.247 2.107 31 1HG1 ILE 5 1HG1 ILE 5 -2.616 -12.928 0.529 32 2HG1 ILE 5 2HG1 ILE 5 -1.497 -12.057 -0.513 33 1HG2 ILE 5 1HG2 ILE 5 -1.241 -11.238 3.306 34 2HG2 ILE 5 2HG2 ILE 5 -2.060 -10.666 1.836 35 3HG2 ILE 5 3HG2 ILE 5 -2.599 -12.141 2.657 36 1HD1 ILE 5 1HD1 ILE 5 -0.175 -14.117 -0.803 37 2HD1 ILE 5 2HD1 ILE 5 -1.100 -14.923 0.490 38 3HD1 ILE 5 3HD1 ILE 5 -1.878 -14.499 -1.044 39 H ILE 6 H ILE 6 0.473 -9.475 2.621 40 HA ILE 6 HA ILE 6 2.547 -10.433 4.550 41 HB ILE 6 HB ILE 6 2.929 -8.094 5.063 42 1HG1 ILE 6 1HG1 ILE 6 1.336 -7.330 2.590 43 2HG1 ILE 6 2HG1 ILE 6 0.695 -7.213 4.240 44 1HG2 ILE 6 1HG2 ILE 6 4.322 -9.361 3.424 45 2HG2 ILE 6 2HG2 ILE 6 3.321 -8.719 2.108 46 3HG2 ILE 6 3HG2 ILE 6 4.315 -7.628 3.097 47 1HD1 ILE 6 1HD1 ILE 6 2.552 -5.681 4.847 48 2HD1 ILE 6 2HD1 ILE 6 3.106 -5.716 3.156 49 3HD1 ILE 6 3HD1 ILE 6 1.513 -5.055 3.551 50 H ASP 7 H ASP 7 2.194 -9.930 6.771 51 HA ASP 7 HA ASP 7 -0.459 -10.522 7.622 52 1HB ASP 7 1HB ASP 7 1.956 -9.490 9.192 53 2HB ASP 7 2HB ASP 7 0.489 -10.182 9.893 54 H ILE 8 H ILE 8 -1.950 -9.226 8.671 55 HA ILE 8 HA ILE 8 -1.804 -6.311 8.367 56 HB ILE 8 HB ILE 8 -4.047 -6.581 9.474 57 1HG1 ILE 8 1HG1 ILE 8 -3.967 -9.450 8.474 58 2HG1 ILE 8 2HG1 ILE 8 -3.742 -9.008 10.174 59 1HG2 ILE 8 1HG2 ILE 8 -3.697 -5.992 7.102 60 2HG2 ILE 8 2HG2 ILE 8 -3.592 -7.712 6.677 61 3HG2 ILE 8 3HG2 ILE 8 -5.118 -7.020 7.254 62 1HD1 ILE 8 1HD1 ILE 8 -5.967 -7.877 10.159 63 2HD1 ILE 8 2HD1 ILE 8 -6.233 -8.494 8.511 64 3HD1 ILE 8 3HD1 ILE 8 -6.025 -9.624 9.859 65 H GLY 9 H GLY 9 -0.899 -5.136 9.973 66 1HA GLY 9 1HA GLY 9 -1.229 -5.652 12.791 67 2HA GLY 9 2HA GLY 9 0.338 -6.234 12.159 68 HA PRO 10 HA PRO 10 0.391 -1.708 13.400 69 1HB PRO 10 1HB PRO 10 3.053 -1.611 14.242 70 2HB PRO 10 2HB PRO 10 1.636 -2.000 15.254 71 1HG PRO 10 1HG PRO 10 3.515 -3.929 13.883 72 2HG PRO 10 2HG PRO 10 2.896 -3.994 15.559 73 1HD PRO 10 1HD PRO 10 1.792 -5.499 13.632 74 2HD PRO 10 2HD PRO 10 0.724 -4.679 14.809 75 H PHE 11 H PHE 11 2.985 -3.395 11.558 76 HA PHE 11 HA PHE 11 3.964 -1.154 10.203 77 1HB PHE 11 1HB PHE 11 4.939 -3.490 10.324 78 2HB PHE 11 2HB PHE 11 3.792 -3.975 9.085 79 HD1 PHE 11 HD1 PHE 11 6.902 -2.178 9.838 80 HD2 PHE 11 HD2 PHE 11 4.001 -3.023 6.753 81 HE1 PHE 11 HE1 PHE 11 8.548 -1.526 8.107 82 HE2 PHE 11 HE2 PHE 11 5.656 -2.370 5.035 83 HZ PHE 11 HZ PHE 11 7.933 -1.630 5.698 84 H THR 12 H THR 12 1.331 -3.450 9.263 85 HA THR 12 HA THR 12 0.731 -2.283 6.766 86 HB THR 12 HB THR 12 -1.482 -3.650 8.142 87 HG1 THR 12 HG1 THR 12 0.298 -5.592 7.962 88 1HG2 THR 12 1HG2 THR 12 -1.218 -3.564 5.689 89 2HG2 THR 12 2HG2 THR 12 0.321 -4.468 5.804 90 3HG2 THR 12 3HG2 THR 12 -1.215 -5.249 6.268 91 H GLN 13 H GLN 13 -0.638 -1.879 10.064 92 HA GLN 13 HA GLN 13 -2.668 -0.026 9.431 93 1HB GLN 13 1HB GLN 13 -0.944 -0.469 11.897 94 2HB GLN 13 2HB GLN 13 -2.290 0.660 11.845 95 1HG GLN 13 1HG GLN 13 -3.895 -1.096 11.434 96 2HG GLN 13 2HG GLN 13 -2.626 -2.287 11.153 97 1HE2 GLN 13 1HE2 GLN 13 -3.966 -0.116 13.703 98 2HE2 GLN 13 2HE2 GLN 13 -3.486 -1.159 15.026 99 H ASN 14 H ASN 14 0.772 0.479 10.356 100 HA ASN 14 HA ASN 14 0.814 3.287 10.226 101 1HB ASN 14 1HB ASN 14 2.628 1.915 11.166 102 2HB ASN 14 2HB ASN 14 3.032 1.306 9.562 103 1HD2 ASN 14 1HD2 ASN 14 5.217 2.140 10.049 104 2HD2 ASN 14 2HD2 ASN 14 5.526 3.852 9.799 105 H LEU 15 H LEU 15 1.484 0.887 7.606 106 HA LEU 15 HA LEU 15 1.932 2.816 5.555 107 1HB LEU 15 1HB LEU 15 0.881 -0.031 5.520 108 2HB LEU 15 2HB LEU 15 0.953 0.924 4.041 109 HG LEU 15 HG LEU 15 3.388 0.402 5.798 110 1HD1 LEU 15 1HD1 LEU 15 2.513 -1.704 4.857 111 2HD1 LEU 15 2HD1 LEU 15 2.418 -0.959 3.242 112 3HD1 LEU 15 3HD1 LEU 15 3.993 -1.214 4.008 113 1HD2 LEU 15 1HD2 LEU 15 3.015 1.520 2.973 114 2HD2 LEU 15 2HD2 LEU 15 3.690 2.392 4.366 115 3HD2 LEU 15 3HD2 LEU 15 4.573 1.037 3.659 116 H GLY 16 H GLY 16 -1.108 1.317 6.678 117 1HA GLY 16 1HA GLY 16 -2.867 2.525 4.793 118 2HA GLY 16 2HA GLY 16 -3.291 2.022 6.438 119 H LYS 17 H LYS 17 -2.138 3.589 8.145 120 HA LYS 17 HA LYS 17 -3.427 5.994 8.179 121 1HB LYS 17 1HB LYS 17 -1.923 4.522 9.930 122 2HB LYS 17 2HB LYS 17 -0.713 5.716 9.530 123 1HG LYS 17 1HG LYS 17 -3.465 6.199 10.751 124 2HG LYS 17 2HG LYS 17 -1.883 6.379 11.529 125 1HD LYS 17 1HD LYS 17 -1.334 8.102 9.730 126 2HD LYS 17 2HD LYS 17 -3.050 8.032 9.261 127 1HE LYS 17 1HE LYS 17 -3.717 8.707 11.560 128 2HE LYS 17 2HE LYS 17 -2.010 8.802 12.031 129 1HZ LYS 17 1HZ LYS 17 -1.714 10.517 10.397 130 2HZ LYS 17 2HZ LYS 17 -3.297 10.425 9.950 131 3HZ LYS 17 3HZ LYS 17 -2.897 10.933 11.464 132 H PHE 18 H PHE 18 -0.067 5.342 7.268 133 HA PHE 18 HA PHE 18 0.732 7.946 6.534 134 1HB PHE 18 1HB PHE 18 2.416 6.271 6.736 135 2HB PHE 18 2HB PHE 18 1.574 5.174 5.659 136 HD1 PHE 18 HD1 PHE 18 1.966 5.103 3.330 137 HD2 PHE 18 HD2 PHE 18 3.434 8.429 5.655 138 HE1 PHE 18 HE1 PHE 18 3.239 5.919 1.367 139 HE2 PHE 18 HE2 PHE 18 4.721 9.226 3.690 140 HZ PHE 18 HZ PHE 18 4.664 7.949 1.561 141 H ALA 19 H ALA 19 -0.742 5.410 4.498 142 HA ALA 19 HA ALA 19 -0.771 6.909 2.087 143 1HB ALA 19 1HB ALA 19 -1.214 4.497 2.145 144 2HB ALA 19 2HB ALA 19 -2.733 4.767 3.023 145 3HB ALA 19 3HB ALA 19 -2.558 5.360 1.367 146 H VAL 20 H VAL 20 -3.222 6.614 4.665 147 HA VAL 20 HA VAL 20 -5.068 8.457 3.427 148 HB VAL 20 HB VAL 20 -4.789 7.482 6.289 149 1HG1 VAL 20 1HG1 VAL 20 -5.942 9.589 6.463 150 2HG1 VAL 20 2HG1 VAL 20 -6.873 9.277 4.983 151 3HG1 VAL 20 3HG1 VAL 20 -7.211 8.359 6.459 152 1HG2 VAL 20 1HG2 VAL 20 -6.707 6.816 3.992 153 2HG2 VAL 20 2HG2 VAL 20 -5.413 5.769 4.605 154 3HG2 VAL 20 3HG2 VAL 20 -6.810 6.140 5.624 155 H ASP 21 H ASP 21 -2.375 8.889 5.721 156 HA ASP 21 HA ASP 21 -2.945 11.562 6.439 157 1HB ASP 21 1HB ASP 21 -1.467 10.167 7.758 158 2HB ASP 21 2HB ASP 21 -0.330 9.998 6.419 159 H GLU 22 H GLU 22 -0.789 10.167 3.964 160 HA GLU 22 HA GLU 22 0.120 12.577 2.778 161 1HB GLU 22 1HB GLU 22 1.095 10.306 2.336 162 2HB GLU 22 2HB GLU 22 -0.393 9.832 1.517 163 1HG GLU 22 1HG GLU 22 1.303 10.407 -0.115 164 2HG GLU 22 2HG GLU 22 0.014 11.606 -0.205 165 H GLU 23 H GLU 23 -2.626 10.402 1.926 166 HA GLU 23 HA GLU 23 -3.551 11.936 -0.230 167 1HB GLU 23 1HB GLU 23 -4.193 9.603 0.254 168 2HB GLU 23 2HB GLU 23 -5.175 10.139 1.635 169 1HG GLU 23 1HG GLU 23 -6.680 11.352 0.205 170 2HG GLU 23 2HG GLU 23 -5.545 11.249 -1.159 171 H ASN 24 H ASN 24 -4.383 12.153 3.235 172 HA ASN 24 HA ASN 24 -6.402 14.141 2.990 173 1HB ASN 24 1HB ASN 24 -4.671 13.088 5.268 174 2HB ASN 24 2HB ASN 24 -5.813 14.392 5.464 175 1HD2 ASN 24 1HD2 ASN 24 -6.466 12.598 7.136 176 2HD2 ASN 24 2HD2 ASN 24 -7.773 11.551 6.605 177 H LYS 25 H LYS 25 -2.864 14.202 3.569 178 HA LYS 25 HA LYS 25 -2.636 16.979 4.134 179 1HB LYS 25 1HB LYS 25 -0.891 15.261 4.539 180 2HB LYS 25 2HB LYS 25 -0.633 15.110 2.794 181 1HG LYS 25 1HG LYS 25 0.036 17.517 2.721 182 2HG LYS 25 2HG LYS 25 -0.187 17.605 4.483 183 1HD LYS 25 1HD LYS 25 1.480 15.728 4.738 184 2HD LYS 25 2HD LYS 25 1.757 15.766 2.991 185 1HE LYS 25 1HE LYS 25 2.270 18.063 4.949 186 2HE LYS 25 2HE LYS 25 3.501 17.008 4.237 187 1HZ LYS 25 1HZ LYS 25 2.864 17.827 2.078 188 2HZ LYS 25 2HZ LYS 25 1.751 18.839 2.753 189 3HZ LYS 25 3HZ LYS 25 3.353 19.054 3.063 190 H ILE 26 H ILE 26 -2.446 15.136 1.062 191 HA ILE 26 HA ILE 26 -2.294 17.461 -0.654 192 HB ILE 26 HB ILE 26 -3.276 14.625 -1.162 193 1HG1 ILE 26 1HG1 ILE 26 -0.628 15.946 -1.924 194 2HG1 ILE 26 2HG1 ILE 26 -0.831 14.969 -0.472 195 1HG2 ILE 26 1HG2 ILE 26 -4.222 16.173 -2.853 196 2HG2 ILE 26 2HG2 ILE 26 -2.607 16.846 -3.149 197 3HG2 ILE 26 3HG2 ILE 26 -2.981 15.166 -3.579 198 1HD1 ILE 26 1HD1 ILE 26 -1.546 13.031 -1.870 199 2HD1 ILE 26 2HD1 ILE 26 -1.128 13.971 -3.323 200 3HD1 ILE 26 3HD1 ILE 26 0.122 13.569 -2.140 201 H GLY 27 H GLY 27 -4.960 15.537 0.714 202 1HA GLY 27 1HA GLY 27 -7.101 16.203 1.250 203 2HA GLY 27 2HA GLY 27 -6.904 17.718 0.355 204 H GLN 28 H GLN 28 -5.941 14.668 -1.128 205 HA GLN 28 HA GLN 28 -7.389 15.339 -3.478 206 1HB GLN 28 1HB GLN 28 -5.319 13.992 -3.447 207 2HB GLN 28 2HB GLN 28 -6.206 12.644 -2.715 208 1HG GLN 28 1HG GLN 28 -7.621 12.427 -4.695 209 2HG GLN 28 2HG GLN 28 -6.909 13.880 -5.412 210 1HE2 GLN 28 1HE2 GLN 28 -4.786 13.745 -6.352 211 2HE2 GLN 28 2HE2 GLN 28 -4.015 12.188 -6.603 212 H TYR 29 H TYR 29 -8.199 13.235 -0.776 213 HA TYR 29 HA TYR 29 -11.012 13.029 -1.810 214 1HB TYR 29 1HB TYR 29 -9.331 10.957 -0.371 215 2HB TYR 29 2HB TYR 29 -11.087 10.975 -0.325 216 HD1 TYR 29 HD1 TYR 29 -12.442 10.129 -2.061 217 HD2 TYR 29 HD2 TYR 29 -8.213 10.669 -2.710 218 HE1 TYR 29 HE1 TYR 29 -12.589 8.788 -4.126 219 HE2 TYR 29 HE2 TYR 29 -8.349 9.247 -4.737 220 HH TYR 29 HH TYR 29 -11.443 7.872 -5.904 221 H GLY 30 H GLY 30 -9.883 15.212 -0.434 222 1HA GLY 30 1HA GLY 30 -10.271 16.565 1.389 223 2HA GLY 30 2HA GLY 30 -11.724 15.592 1.695 224 H ARG 31 H ARG 31 -11.550 15.313 3.907 225 HA ARG 31 HA ARG 31 -9.037 14.226 5.107 226 1HB ARG 31 1HB ARG 31 -11.486 15.628 6.248 227 2HB ARG 31 2HB ARG 31 -10.276 14.793 7.231 228 1HG ARG 31 1HG ARG 31 -8.498 16.255 6.390 229 2HG ARG 31 2HG ARG 31 -9.656 17.120 5.354 230 1HD ARG 31 1HD ARG 31 -10.905 17.895 7.291 231 2HD ARG 31 2HD ARG 31 -9.947 16.862 8.381 232 HE ARG 31 HE ARG 31 -8.176 18.589 7.000 233 1HH1 ARG 31 1HH1 ARG 31 -10.730 18.735 9.432 234 2HH1 ARG 31 2HH1 ARG 31 -10.020 20.054 10.319 235 1HH2 ARG 31 1HH2 ARG 31 -7.217 20.313 8.155 236 2HH2 ARG 31 2HH2 ARG 31 -7.984 20.974 9.572 237 H LEU 32 H LEU 32 -9.264 12.003 4.492 238 HA LEU 32 HA LEU 32 -11.754 10.590 5.223 239 1HB LEU 32 1HB LEU 32 -9.056 9.509 4.388 240 2HB LEU 32 2HB LEU 32 -10.556 8.590 4.522 241 HG LEU 32 HG LEU 32 -10.053 10.846 2.530 242 1HD1 LEU 32 1HD1 LEU 32 -8.737 8.802 2.141 243 2HD1 LEU 32 2HD1 LEU 32 -10.216 7.822 2.189 244 3HD1 LEU 32 3HD1 LEU 32 -9.981 9.013 0.892 245 1HD2 LEU 32 1HD2 LEU 32 -12.435 8.969 2.935 246 2HD2 LEU 32 2HD2 LEU 32 -12.441 10.745 3.061 247 3HD2 LEU 32 3HD2 LEU 32 -12.185 9.973 1.495 248 H THR 33 H THR 33 -12.054 9.359 7.021 249 HA THR 33 HA THR 33 -10.189 9.731 9.274 250 HB THR 33 HB THR 33 -12.971 8.487 9.272 251 HG1 THR 33 HG1 THR 33 -12.167 11.192 9.398 252 1HG2 THR 33 1HG2 THR 33 -11.623 8.146 11.329 253 2HG2 THR 33 2HG2 THR 33 -11.330 9.897 11.431 254 3HG2 THR 33 3HG2 THR 33 -12.976 9.258 11.609 255 H PHE 34 H PHE 34 -8.528 8.258 8.672 256 HA PHE 34 HA PHE 34 -8.800 5.626 7.785 257 1HB PHE 34 1HB PHE 34 -6.677 6.631 7.878 258 2HB PHE 34 2HB PHE 34 -6.754 6.892 9.625 259 HD1 PHE 34 HD1 PHE 34 -6.744 4.174 7.003 260 HD2 PHE 34 HD2 PHE 34 -5.850 5.231 11.091 261 HE1 PHE 34 HE1 PHE 34 -5.482 2.071 7.282 262 HE2 PHE 34 HE2 PHE 34 -4.501 3.167 11.323 263 HZ PHE 34 HZ PHE 34 -4.259 1.620 9.399 264 H ASN 35 H ASN 35 -9.394 3.761 8.626 265 HA ASN 35 HA ASN 35 -9.913 3.514 11.587 266 1HB ASN 35 1HB ASN 35 -11.122 1.950 9.265 267 2HB ASN 35 2HB ASN 35 -11.192 1.457 10.951 268 1HD2 ASN 35 1HD2 ASN 35 -12.081 4.116 8.740 269 2HD2 ASN 35 2HD2 ASN 35 -13.452 4.666 9.710 270 H LYS 36 H LYS 36 -8.899 1.471 8.764 271 HA LYS 36 HA LYS 36 -6.537 0.510 10.088 272 1HB LYS 36 1HB LYS 36 -7.248 -1.779 10.578 273 2HB LYS 36 2HB LYS 36 -8.148 -0.625 11.539 274 1HG LYS 36 1HG LYS 36 -10.075 -0.804 9.982 275 2HG LYS 36 2HG LYS 36 -9.188 -2.011 9.025 276 1HD LYS 36 1HD LYS 36 -8.975 -3.444 11.062 277 2HD LYS 36 2HD LYS 36 -9.934 -2.273 11.978 278 1HE LYS 36 1HE LYS 36 -10.875 -3.859 9.538 279 2HE LYS 36 2HE LYS 36 -11.296 -4.190 11.224 280 1HZ LYS 36 1HZ LYS 36 -12.350 -2.039 11.313 281 2HZ LYS 36 2HZ LYS 36 -11.994 -1.762 9.727 282 3HZ LYS 36 3HZ LYS 36 -13.014 -2.986 10.140 283 H VAL 37 H VAL 37 -6.279 -1.978 8.838 284 HA VAL 37 HA VAL 37 -6.851 -1.565 5.969 285 HB VAL 37 HB VAL 37 -4.194 -2.544 7.127 286 1HG1 VAL 37 1HG1 VAL 37 -4.816 -3.535 4.922 287 2HG1 VAL 37 2HG1 VAL 37 -4.993 -1.901 4.255 288 3HG1 VAL 37 3HG1 VAL 37 -3.410 -2.475 4.821 289 1HG2 VAL 37 1HG2 VAL 37 -4.898 0.125 5.845 290 2HG2 VAL 37 2HG2 VAL 37 -4.267 -0.145 7.486 291 3HG2 VAL 37 3HG2 VAL 37 -3.241 -0.462 6.081 292 H ILE 38 H ILE 38 -7.319 -3.586 4.948 293 HA ILE 38 HA ILE 38 -7.129 -6.027 6.622 294 HB ILE 38 HB ILE 38 -9.379 -6.742 5.914 295 1HG1 ILE 38 1HG1 ILE 38 -9.960 -3.850 5.203 296 2HG1 ILE 38 2HG1 ILE 38 -9.487 -5.028 3.966 297 1HG2 ILE 38 1HG2 ILE 38 -8.935 -5.762 8.157 298 2HG2 ILE 38 2HG2 ILE 38 -9.434 -4.173 7.540 299 3HG2 ILE 38 3HG2 ILE 38 -10.595 -5.514 7.609 300 1HD1 ILE 38 1HD1 ILE 38 -11.372 -6.490 4.583 301 2HD1 ILE 38 2HD1 ILE 38 -11.917 -5.288 5.779 302 3HD1 ILE 38 3HD1 ILE 38 -11.906 -4.888 4.059 303 H ARG 39 H ARG 39 -7.796 -7.940 5.193 304 HA ARG 39 HA ARG 39 -5.847 -8.106 3.148 305 1HB ARG 39 1HB ARG 39 -7.087 -10.336 2.662 306 2HB ARG 39 2HB ARG 39 -6.249 -10.144 4.195 307 1HG ARG 39 1HG ARG 39 -9.151 -9.337 4.109 308 2HG ARG 39 2HG ARG 39 -8.797 -11.055 3.968 309 1HD ARG 39 1HD ARG 39 -7.901 -11.268 6.059 310 2HD ARG 39 2HD ARG 39 -7.379 -9.585 6.189 311 HE ARG 39 HE ARG 39 -10.203 -9.596 6.050 312 1HH1 ARG 39 1HH1 ARG 39 -7.645 -10.695 8.222 313 2HH1 ARG 39 2HH1 ARG 39 -8.588 -10.497 9.673 314 1HH2 ARG 39 1HH2 ARG 39 -11.452 -9.314 7.940 315 2HH2 ARG 39 2HH2 ARG 39 -10.793 -9.699 9.506 316 HA PRO 40 HA PRO 40 -5.573 -9.418 1.152 317 1HB PRO 40 1HB PRO 40 -4.791 -8.749 -1.363 318 2HB PRO 40 2HB PRO 40 -6.117 -9.907 -1.045 319 1HG PRO 40 1HG PRO 40 -6.349 -6.955 -1.633 320 2HG PRO 40 2HG PRO 40 -7.220 -8.285 -2.453 321 1HD PRO 40 1HD PRO 40 -8.412 -6.914 -0.414 322 2HD PRO 40 2HD PRO 40 -8.582 -8.679 -0.523 323 H CYS 41 H CYS 41 -3.381 -8.824 1.314 324 HA CYS 41 HA CYS 41 -2.591 -5.973 1.179 325 1HB CYS 41 1HB CYS 41 -2.291 -7.886 3.555 326 2HB CYS 41 2HB CYS 41 -1.311 -6.427 3.332 327 HG CYS 41 HG CYS 41 -4.453 -5.934 2.902 328 H MET 42 H MET 42 -1.401 -6.498 -0.722 329 HA MET 42 HA MET 42 0.398 -8.866 -0.540 330 1HB MET 42 1HB MET 42 -1.644 -8.562 -2.272 331 2HB MET 42 2HB MET 42 -0.381 -7.732 -3.193 332 1HG MET 42 1HG MET 42 1.067 -9.787 -2.845 333 2HG MET 42 2HG MET 42 -0.294 -10.545 -2.016 334 1HE MET 42 1HE MET 42 1.187 -12.018 -4.225 335 2HE MET 42 2HE MET 42 -0.282 -12.678 -3.471 336 3HE MET 42 3HE MET 42 -0.131 -12.644 -5.245 337 H LYS 43 H LYS 43 2.546 -8.700 -1.051 338 HA LYS 43 HA LYS 43 3.622 -5.943 -1.531 339 1HB LYS 43 1HB LYS 43 4.136 -6.674 0.704 340 2HB LYS 43 2HB LYS 43 4.593 -8.290 0.133 341 1HG LYS 43 1HG LYS 43 6.563 -7.417 -1.003 342 2HG LYS 43 2HG LYS 43 6.155 -5.753 -0.536 343 1HD LYS 43 1HD LYS 43 6.531 -7.999 1.503 344 2HD LYS 43 2HD LYS 43 7.918 -7.122 0.838 345 1HE LYS 43 1HE LYS 43 7.133 -5.016 1.649 346 2HE LYS 43 2HE LYS 43 5.584 -5.703 2.187 347 1HZ LYS 43 1HZ LYS 43 6.788 -7.034 3.755 348 2HZ LYS 43 2HZ LYS 43 8.225 -6.385 3.272 349 3HZ LYS 43 3HZ LYS 43 7.090 -5.433 3.999 350 H LYS 44 H LYS 44 5.316 -5.811 -3.063 351 HA LYS 44 HA LYS 44 6.579 -8.270 -3.979 352 1HB LYS 44 1HB LYS 44 4.694 -8.118 -5.427 353 2HB LYS 44 2HB LYS 44 5.115 -6.509 -5.995 354 1HG LYS 44 1HG LYS 44 7.161 -8.720 -6.315 355 2HG LYS 44 2HG LYS 44 5.689 -8.843 -7.261 356 1HD LYS 44 1HD LYS 44 6.000 -6.663 -8.274 357 2HD LYS 44 2HD LYS 44 7.404 -6.340 -7.258 358 1HE LYS 44 1HE LYS 44 8.150 -7.006 -9.475 359 2HE LYS 44 2HE LYS 44 8.620 -8.245 -8.305 360 1HZ LYS 44 1HZ LYS 44 6.728 -9.533 -9.006 361 2HZ LYS 44 2HZ LYS 44 6.277 -8.366 -10.079 362 3HZ LYS 44 3HZ LYS 44 7.692 -9.183 -10.295 363 H THR 45 H THR 45 8.618 -7.950 -4.944 364 HA THR 45 HA THR 45 10.006 -5.594 -4.029 365 HB THR 45 HB THR 45 11.027 -8.021 -5.556 366 HG1 THR 45 HG1 THR 45 10.604 -7.701 -2.773 367 1HG2 THR 45 1HG2 THR 45 12.698 -6.235 -5.285 368 2HG2 THR 45 2HG2 THR 45 12.368 -6.153 -3.543 369 3HG2 THR 45 3HG2 THR 45 13.092 -7.617 -4.247 370 H ILE 46 H ILE 46 10.711 -3.903 -5.245 371 HA ILE 46 HA ILE 46 10.338 -3.919 -8.193 372 HB ILE 46 HB ILE 46 9.906 -1.960 -6.089 373 1HG1 ILE 46 1HG1 ILE 46 8.325 -1.036 -7.718 374 2HG1 ILE 46 2HG1 ILE 46 8.928 -2.140 -8.961 375 1HG2 ILE 46 1HG2 ILE 46 11.863 -0.831 -6.977 376 2HG2 ILE 46 2HG2 ILE 46 11.262 -1.023 -8.644 377 3HG2 ILE 46 3HG2 ILE 46 10.411 0.017 -7.489 378 1HD1 ILE 46 1HD1 ILE 46 8.074 -4.066 -7.695 379 2HD1 ILE 46 2HD1 ILE 46 7.641 -3.011 -6.330 380 3HD1 ILE 46 3HD1 ILE 46 6.792 -2.865 -7.883 381 H TYR 47 H TYR 47 12.042 -3.575 -9.527 382 HA TYR 47 HA TYR 47 14.788 -3.408 -8.377 383 1HB TYR 47 1HB TYR 47 13.677 -4.993 -10.730 384 2HB TYR 47 2HB TYR 47 15.386 -4.678 -10.516 385 HD1 TYR 47 HD1 TYR 47 12.464 -6.253 -8.725 386 HD2 TYR 47 HD2 TYR 47 16.724 -6.211 -9.401 387 HE1 TYR 47 HE1 TYR 47 12.704 -8.341 -7.421 388 HE2 TYR 47 HE2 TYR 47 16.959 -8.288 -8.109 389 HH TYR 47 HH TYR 47 15.867 -9.905 -6.860 390 H GLU 48 H GLU 48 16.352 -2.508 -9.914 391 HA GLU 48 HA GLU 48 15.169 -0.528 -11.815 392 1HB GLU 48 1HB GLU 48 16.832 0.116 -9.811 393 2HB GLU 48 2HB GLU 48 18.055 -0.355 -10.973 394 1HG GLU 48 1HG GLU 48 16.847 1.272 -12.631 395 2HG GLU 48 2HG GLU 48 15.826 1.734 -11.279 396 H ASN 49 H ASN 49 17.875 -0.362 -13.055 397 HA ASN 49 HA ASN 49 18.492 -2.684 -14.553 398 1HB ASN 49 1HB ASN 49 16.159 -2.576 -15.318 399 2HB ASN 49 2HB ASN 49 16.349 -0.881 -15.773 400 1HD2 ASN 49 1HD2 ASN 49 16.953 -0.472 -17.905 401 2HD2 ASN 49 2HD2 ASN 49 17.654 -1.689 -18.956 402 H GLU 50 H GLU 50 17.943 0.814 -14.577 403 HA GLU 50 HA GLU 50 19.707 1.606 -16.606 404 1HB GLU 50 1HB GLU 50 17.885 2.951 -15.538 405 2HB GLU 50 2HB GLU 50 18.917 3.145 -14.108 406 1HG GLU 50 1HG GLU 50 20.651 4.233 -15.591 407 2HG GLU 50 2HG GLU 50 19.523 4.114 -16.942 408 H GLY 51 H GLY 51 21.494 0.149 -16.185 409 1HA GLY 51 1HA GLY 51 23.889 0.342 -15.878 410 2HA GLY 51 2HA GLY 51 23.633 1.413 -14.497 411 H PHE 52 H PHE 52 22.577 -1.757 -15.626 412 HA PHE 52 HA PHE 52 22.795 -3.844 -14.820 413 1HB PHE 52 1HB PHE 52 24.864 -2.924 -13.577 414 2HB PHE 52 2HB PHE 52 23.839 -2.889 -12.145 415 HD1 PHE 52 HD1 PHE 52 23.309 -4.952 -10.960 416 HD2 PHE 52 HD2 PHE 52 25.394 -5.066 -14.739 417 HE1 PHE 52 HE1 PHE 52 23.824 -7.341 -10.606 418 HE2 PHE 52 HE2 PHE 52 25.966 -7.446 -14.344 419 HZ PHE 52 HZ PHE 52 25.182 -8.591 -12.280 420 H ARG 53 H ARG 53 21.681 -5.249 -13.201 421 HA ARG 53 HA ARG 53 19.071 -3.991 -12.494 422 1HB ARG 53 1HB ARG 53 19.186 -5.891 -14.153 423 2HB ARG 53 2HB ARG 53 19.789 -6.929 -12.846 424 1HG ARG 53 1HG ARG 53 17.684 -6.426 -11.554 425 2HG ARG 53 2HG ARG 53 17.120 -5.445 -12.924 426 1HD ARG 53 1HD ARG 53 17.274 -7.467 -14.383 427 2HD ARG 53 2HD ARG 53 17.747 -8.424 -12.955 428 HE ARG 53 HE ARG 53 15.325 -7.011 -12.414 429 1HH1 ARG 53 1HH1 ARG 53 16.524 -9.710 -14.345 430 2HH1 ARG 53 2HH1 ARG 53 14.991 -10.535 -14.419 431 1HH2 ARG 53 1HH2 ARG 53 13.305 -8.061 -12.507 432 2HH2 ARG 53 2HH2 ARG 53 13.121 -9.574 -13.356 433 H GLU 54 H GLU 54 18.504 -3.857 -10.322 434 HA GLU 54 HA GLU 54 19.521 -5.667 -8.389 435 1HB GLU 54 1HB GLU 54 21.168 -3.443 -8.853 436 2HB GLU 54 2HB GLU 54 20.147 -2.862 -7.540 437 1HG GLU 54 1HG GLU 54 21.758 -5.463 -7.511 438 2HG GLU 54 2HG GLU 54 22.312 -3.927 -6.842 439 H ILE 55 H ILE 55 18.386 -5.284 -6.314 440 HA ILE 55 HA ILE 55 15.651 -4.497 -6.588 441 HB ILE 55 HB ILE 55 17.399 -4.931 -4.139 442 1HG1 ILE 55 1HG1 ILE 55 15.292 -6.693 -5.474 443 2HG1 ILE 55 2HG1 ILE 55 17.040 -6.903 -5.653 444 1HG2 ILE 55 1HG2 ILE 55 15.492 -3.480 -3.535 445 2HG2 ILE 55 2HG2 ILE 55 14.369 -4.586 -4.347 446 3HG2 ILE 55 3HG2 ILE 55 15.238 -5.083 -2.881 447 1HD1 ILE 55 1HD1 ILE 55 17.230 -7.246 -3.181 448 2HD1 ILE 55 2HD1 ILE 55 15.449 -7.269 -3.093 449 3HD1 ILE 55 3HD1 ILE 55 16.301 -8.488 -4.047 450 H LYS 56 H LYS 56 14.716 -2.549 -6.303 451 HA LYS 56 HA LYS 56 16.386 -0.205 -5.469 452 1HB LYS 56 1HB LYS 56 15.847 -0.174 -7.821 453 2HB LYS 56 2HB LYS 56 14.121 -0.371 -7.498 454 1HG LYS 56 1HG LYS 56 13.979 1.805 -6.447 455 2HG LYS 56 2HG LYS 56 15.744 1.959 -6.387 456 1HD LYS 56 1HD LYS 56 15.855 2.020 -8.833 457 2HD LYS 56 2HD LYS 56 14.092 1.832 -8.954 458 1HE LYS 56 1HE LYS 56 13.778 3.995 -7.796 459 2HE LYS 56 2HE LYS 56 15.527 4.139 -7.543 460 1HZ LYS 56 1HZ LYS 56 15.818 4.195 -9.906 461 2HZ LYS 56 2HZ LYS 56 14.188 4.096 -10.151 462 3HZ LYS 56 3HZ LYS 56 14.831 5.419 -9.405 463 H GLY 57 H GLY 57 13.267 -1.974 -5.104 464 1HA GLY 57 1HA GLY 57 12.738 -0.686 -2.579 465 2HA GLY 57 2HA GLY 57 11.823 0.057 -3.920 466 H TYR 58 H TYR 58 9.928 -0.730 -2.707 467 HA TYR 58 HA TYR 58 9.111 -3.370 -3.719 468 1HB TYR 58 1HB TYR 58 8.412 -2.541 -0.904 469 2HB TYR 58 2HB TYR 58 8.300 -4.121 -1.641 470 HD1 TYR 58 HD1 TYR 58 10.563 -1.648 -0.080 471 HD2 TYR 58 HD2 TYR 58 10.268 -5.629 -1.687 472 HE1 TYR 58 HE1 TYR 58 12.880 -2.097 0.636 473 HE2 TYR 58 HE2 TYR 58 12.603 -6.087 -0.963 474 HH TYR 58 HH TYR 58 14.632 -3.607 0.614 475 H GLU 59 H GLU 59 6.769 -3.534 -3.696 476 HA GLU 59 HA GLU 59 5.293 -0.973 -3.473 477 1HB GLU 59 1HB GLU 59 3.784 -1.646 -5.178 478 2HB GLU 59 2HB GLU 59 5.415 -1.695 -5.852 479 1HG GLU 59 1HG GLU 59 5.439 -4.172 -5.527 480 2HG GLU 59 2HG GLU 59 3.790 -4.108 -4.878 481 H TYR 60 H TYR 60 3.160 -1.185 -2.580 482 HA TYR 60 HA TYR 60 2.528 -3.736 -1.179 483 1HB TYR 60 1HB TYR 60 2.240 -0.979 0.063 484 2HB TYR 60 2HB TYR 60 2.012 -2.542 0.816 485 HD1 TYR 60 HD1 TYR 60 3.843 -3.468 2.081 486 HD2 TYR 60 HD2 TYR 60 4.568 -0.277 -0.723 487 HE1 TYR 60 HE1 TYR 60 6.173 -3.256 2.896 488 HE2 TYR 60 HE2 TYR 60 6.950 -0.327 -0.166 489 HH TYR 60 HH TYR 60 8.274 -2.333 2.497 490 H GLN 61 H GLN 61 0.515 -4.257 -1.961 491 HA GLN 61 HA GLN 61 -1.417 -2.083 -2.718 492 1HB GLN 61 1HB GLN 61 -0.925 -4.895 -3.776 493 2HB GLN 61 2HB GLN 61 -2.475 -4.065 -3.949 494 1HG GLN 61 1HG GLN 61 -1.477 -2.199 -5.092 495 2HG GLN 61 2HG GLN 61 0.155 -2.875 -4.880 496 1HE2 GLN 61 1HE2 GLN 61 -0.256 -2.278 -7.351 497 2HE2 GLN 61 2HE2 GLN 61 -0.711 -3.663 -8.344 498 H LEU 62 H LEU 62 -2.873 -1.796 -1.054 499 HA LEU 62 HA LEU 62 -3.841 -4.202 0.340 500 1HB LEU 62 1HB LEU 62 -3.272 -3.133 2.570 501 2HB LEU 62 2HB LEU 62 -1.985 -3.889 1.646 502 HG LEU 62 HG LEU 62 -1.218 -1.634 0.844 503 1HD1 LEU 62 1HD1 LEU 62 -3.182 -0.274 1.263 504 2HD1 LEU 62 2HD1 LEU 62 -3.174 -0.693 2.989 505 3HD1 LEU 62 3HD1 LEU 62 -1.878 0.303 2.299 506 1HD2 LEU 62 1HD2 LEU 62 -1.201 -2.117 3.841 507 2HD2 LEU 62 2HD2 LEU 62 -0.120 -2.895 2.663 508 3HD2 LEU 62 3HD2 LEU 62 -0.045 -1.145 2.915 509 H TYR 63 H TYR 63 -5.787 -4.033 1.436 510 HA TYR 63 HA TYR 63 -7.457 -1.880 0.365 511 1HB TYR 63 1HB TYR 63 -7.913 -4.607 1.525 512 2HB TYR 63 2HB TYR 63 -9.185 -3.415 1.546 513 HD1 TYR 63 HD1 TYR 63 -10.693 -3.434 -0.264 514 HD2 TYR 63 HD2 TYR 63 -6.617 -4.657 -0.944 515 HE1 TYR 63 HE1 TYR 63 -11.273 -4.058 -2.565 516 HE2 TYR 63 HE2 TYR 63 -7.230 -5.321 -3.256 517 HH TYR 63 HH TYR 63 -8.832 -5.247 -4.896 518 H VAL 64 H VAL 64 -7.286 -0.064 1.452 519 HA VAL 64 HA VAL 64 -6.916 0.096 4.359 520 HB VAL 64 HB VAL 64 -7.185 2.230 2.196 521 1HG1 VAL 64 1HG1 VAL 64 -7.826 3.147 4.390 522 2HG1 VAL 64 2HG1 VAL 64 -6.372 2.436 5.126 523 3HG1 VAL 64 3HG1 VAL 64 -6.227 3.737 3.929 524 1HG2 VAL 64 1HG2 VAL 64 -4.737 1.096 3.617 525 2HG2 VAL 64 2HG2 VAL 64 -5.145 0.909 1.897 526 3HG2 VAL 64 3HG2 VAL 64 -4.731 2.504 2.540 527 H TYR 65 H TYR 65 -8.526 0.552 5.762 528 HA TYR 65 HA TYR 65 -11.279 1.002 4.754 529 1HB TYR 65 1HB TYR 65 -10.279 -0.916 6.494 530 2HB TYR 65 2HB TYR 65 -10.868 0.289 7.617 531 HD1 TYR 65 HD1 TYR 65 -11.783 -2.648 7.053 532 HD2 TYR 65 HD2 TYR 65 -13.330 1.210 5.887 533 HE1 TYR 65 HE1 TYR 65 -13.982 -3.668 6.586 534 HE2 TYR 65 HE2 TYR 65 -15.505 0.151 5.329 535 HH TYR 65 HH TYR 65 -16.124 -3.326 5.786 536 H ALA 66 H ALA 66 -11.838 3.119 4.826 537 HA ALA 66 HA ALA 66 -10.971 4.818 7.115 538 1HB ALA 66 1HB ALA 66 -9.347 5.169 5.272 539 2HB ALA 66 2HB ALA 66 -10.692 5.597 4.190 540 3HB ALA 66 3HB ALA 66 -10.334 6.600 5.618 541 H SER 67 H SER 67 -12.629 6.018 7.846 542 HA SER 67 HA SER 67 -14.802 6.655 8.174 543 1HB SER 67 1HB SER 67 -13.975 8.383 6.585 544 2HB SER 67 2HB SER 67 -14.597 7.418 5.227 545 HG SER 67 HG SER 67 -16.665 7.587 6.216 546 H ASP 68 H ASP 68 -14.607 3.893 7.685 547 HA ASP 68 HA ASP 68 -15.706 2.051 7.083 548 1HB ASP 68 1HB ASP 68 -17.403 3.135 8.574 549 2HB ASP 68 2HB ASP 68 -18.205 3.788 7.133 550 H LYS 69 H LYS 69 -14.583 3.593 4.893 551 HA LYS 69 HA LYS 69 -16.119 2.324 2.675 552 1HB LYS 69 2HB LYS 69 -14.344 4.807 2.608 553 2HB LYS 69 3HB LYS 69 -15.053 4.008 1.206 554 1HG LYS 69 2HG LYS 69 -16.728 5.233 3.449 555 2HG LYS 69 3HG LYS 69 -16.192 6.121 2.020 556 1HD LYS 69 2HD LYS 69 -17.319 4.424 0.555 557 2HD LYS 69 3HD LYS 69 -17.960 3.632 2.012 558 1HE LYS 69 2HE LYS 69 -19.164 5.681 2.640 559 2HE LYS 69 3HE LYS 69 -18.453 6.561 1.276 560 1HZ LYS 69 1HZ LYS 69 -19.570 5.073 -0.212 561 2HZ LYS 69 2HZ LYS 69 -20.236 4.240 1.047 562 3HZ LYS 69 3HZ LYS 69 -20.649 5.817 0.787 563 H LEU 70 H LEU 70 -14.820 0.901 1.476 564 HA LEU 70 HA LEU 70 -12.068 0.510 2.503 565 1HB LEU 70 2HB LEU 70 -13.816 -1.314 2.748 566 2HB LEU 70 3HB LEU 70 -13.838 -1.415 0.987 567 HG LEU 70 HG LEU 70 -11.281 -1.812 1.154 568 1HD1 LEU 70 1HD1 LEU 70 -11.010 -1.062 3.548 569 2HD1 LEU 70 2HD1 LEU 70 -12.032 -2.415 4.048 570 3HD1 LEU 70 3HD1 LEU 70 -10.459 -2.707 3.284 571 1HD2 LEU 70 1HD2 LEU 70 -13.213 -3.808 2.417 572 2HD2 LEU 70 2HD2 LEU 70 -12.916 -3.612 0.678 573 3HD2 LEU 70 3HD2 LEU 70 -11.631 -4.225 1.732 574 H PHE 71 H PHE 71 -10.401 0.957 1.161 575 HA PHE 71 HA PHE 71 -10.855 1.270 -1.784 576 1HB PHE 71 2HB PHE 71 -9.705 3.215 0.230 577 2HB PHE 71 3HB PHE 71 -9.045 3.158 -1.388 578 HD1 PHE 71 1HD PHE 71 -9.916 4.494 -3.063 579 HD2 PHE 71 2HD PHE 71 -12.329 3.628 0.403 580 HE1 PHE 71 1HE PHE 71 -11.568 6.160 -3.809 581 HE2 PHE 71 2HE PHE 71 -13.969 5.348 -0.333 582 HZ PHE 71 HZ PHE 71 -13.590 6.616 -2.430 583 H ARG 72 H ARG 72 -9.048 0.686 -3.021 584 HA ARG 72 HA ARG 72 -6.932 -0.892 -1.651 585 1HB ARG 72 2HB ARG 72 -7.685 -2.022 -3.544 586 2HB ARG 72 3HB ARG 72 -7.782 -0.552 -4.531 587 1HG ARG 72 2HG ARG 72 -5.439 -0.370 -4.764 588 2HG ARG 72 3HG ARG 72 -5.103 -1.488 -3.433 589 1HD ARG 72 2HD ARG 72 -6.540 -2.432 -5.940 590 2HD ARG 72 3HD ARG 72 -4.774 -2.241 -5.860 591 HE ARG 72 HE ARG 72 -5.960 -3.753 -3.651 592 1HH1 ARG 72 1HH1 ARG 72 -4.878 -5.717 -3.189 593 2HH1 ARG 72 2HH1 ARG 72 -3.933 -6.506 -4.423 594 1HH2 ARG 72 1HH2 ARG 72 -4.516 -4.029 -6.867 595 2HH2 ARG 72 2HH2 ARG 72 -3.426 -5.307 -6.405 596 H ALA 73 H ALA 73 -5.207 0.231 -0.929 597 HA ALA 73 HA ALA 73 -4.337 2.695 -2.385 598 1HB ALA 73 1HB ALA 73 -4.714 2.927 0.075 599 2HB ALA 73 2HB ALA 73 -3.445 1.717 0.335 600 3HB ALA 73 3HB ALA 73 -3.050 3.252 -0.457 601 H ASP 74 H ASP 74 -2.513 2.527 -3.572 602 HA ASP 74 HA ASP 74 -0.776 0.107 -3.273 603 1HB ASP 74 1HB ASP 74 -1.942 0.305 -5.451 604 2HB ASP 74 2HB ASP 74 -1.077 1.828 -5.733 605 H ILE 75 H ILE 75 1.160 0.581 -2.493 606 HA ILE 75 HA ILE 75 2.112 3.424 -2.373 607 HB ILE 75 HB ILE 75 2.213 1.297 -0.185 608 1HG1 ILE 75 1HG1 ILE 75 1.022 3.450 0.985 609 2HG1 ILE 75 2HG1 ILE 75 0.433 3.669 -0.662 610 1HG2 ILE 75 1HG2 ILE 75 4.269 2.566 -0.079 611 2HG2 ILE 75 2HG2 ILE 75 3.367 4.098 -0.175 612 3HG2 ILE 75 3HG2 ILE 75 3.221 3.054 1.241 613 1HD1 ILE 75 1HD1 ILE 75 -0.487 1.333 -0.587 614 2HD1 ILE 75 2HD1 ILE 75 0.195 1.141 1.039 615 3HD1 ILE 75 3HD1 ILE 75 -1.091 2.326 0.751 616 H SER 76 H SER 76 4.432 3.615 -2.436 617 HA SER 76 HA SER 76 5.943 1.119 -3.090 618 1HB SER 76 1HB SER 76 6.644 3.911 -4.035 619 2HB SER 76 2HB SER 76 7.354 2.369 -4.544 620 HG SER 76 HG SER 76 5.062 1.913 -5.241 621 H GLU 77 H GLU 77 7.990 0.980 -2.098 622 HA GLU 77 HA GLU 77 8.934 3.168 -0.270 623 1HB GLU 77 1HB GLU 77 8.007 1.334 1.088 624 2HB GLU 77 2HB GLU 77 9.085 0.188 0.273 625 1HG GLU 77 1HG GLU 77 10.421 2.579 1.496 626 2HG GLU 77 2HG GLU 77 9.634 1.470 2.622 627 H ASP 78 H ASP 78 10.827 3.892 -1.023 628 HA ASP 78 HA ASP 78 12.319 2.223 -3.017 629 1HB ASP 78 1HB ASP 78 11.711 4.427 -3.809 630 2HB ASP 78 2HB ASP 78 12.483 5.183 -2.393 631 H TYR 79 H TYR 79 14.062 1.184 -2.281 632 HA TYR 79 HA TYR 79 14.636 1.077 0.472 633 1HB TYR 79 1HB TYR 79 14.914 -0.759 -1.160 634 2HB TYR 79 2HB TYR 79 16.256 0.094 -1.913 635 HD1 TYR 79 HD1 TYR 79 18.457 -0.412 -1.185 636 HD2 TYR 79 HD2 TYR 79 15.122 -1.233 1.427 637 HE1 TYR 79 HE1 TYR 79 19.965 -1.605 0.376 638 HE2 TYR 79 HE2 TYR 79 16.629 -2.445 2.968 639 HH TYR 79 HH TYR 79 18.792 -3.139 3.381 640 H LYS 80 H LYS 80 16.567 2.476 -2.199 641 HA LYS 80 HA LYS 80 18.765 3.332 -0.623 642 1HB LYS 80 1HB LYS 80 18.788 3.154 -3.101 643 2HB LYS 80 2HB LYS 80 17.671 4.524 -3.209 644 1HG LYS 80 1HG LYS 80 19.397 5.952 -2.031 645 2HG LYS 80 2HG LYS 80 20.502 4.568 -2.060 646 1HD LYS 80 1HD LYS 80 20.417 4.566 -4.543 647 2HD LYS 80 2HD LYS 80 19.237 5.895 -4.509 648 1HE LYS 80 1HE LYS 80 20.913 7.338 -3.337 649 2HE LYS 80 2HE LYS 80 22.100 6.025 -3.446 650 1HZ LYS 80 1HZ LYS 80 21.923 6.163 -5.827 651 2HZ LYS 80 2HZ LYS 80 20.818 7.381 -5.714 652 3HZ LYS 80 3HZ LYS 80 22.361 7.618 -5.190 653 H THR 81 H THR 81 15.786 5.038 -1.645 654 HA THR 81 HA THR 81 16.514 7.510 -0.324 655 HB THR 81 HB THR 81 13.749 6.654 -1.213 656 HG1 THR 81 HG1 THR 81 15.243 6.347 -2.978 657 1HG2 THR 81 1HG2 THR 81 13.729 8.794 -0.001 658 2HG2 THR 81 2HG2 THR 81 15.077 9.360 -0.997 659 3HG2 THR 81 3HG2 THR 81 13.474 9.055 -1.716 660 H ARG 82 H ARG 82 15.102 4.495 0.736 661 HA ARG 82 HA ARG 82 13.857 3.843 2.437 662 1HB ARG 82 1HB ARG 82 14.732 4.381 4.674 663 2HB ARG 82 2HB ARG 82 16.017 3.935 3.548 664 1HG ARG 82 1HG ARG 82 16.733 6.225 3.307 665 2HG ARG 82 2HG ARG 82 15.320 6.832 4.200 666 1HD ARG 82 1HD ARG 82 16.107 5.741 6.236 667 2HD ARG 82 2HD ARG 82 17.550 5.144 5.369 668 HE ARG 82 HE ARG 82 17.473 7.886 4.905 669 1HH1 ARG 82 1HH1 ARG 82 17.731 5.819 7.750 670 2HH1 ARG 82 2HH1 ARG 82 18.573 7.002 8.716 671 1HH2 ARG 82 1HH2 ARG 82 18.577 9.440 6.133 672 2HH2 ARG 82 2HH2 ARG 82 19.075 9.104 7.768 673 H GLY 83 H GLY 83 12.477 5.476 1.015 674 1HA GLY 83 1HA GLY 83 10.705 6.859 2.947 675 2HA GLY 83 2HA GLY 83 11.305 7.755 1.529 676 H ARG 84 H ARG 84 8.531 7.033 2.057 677 HA ARG 84 HA ARG 84 8.023 5.066 -0.096 678 1HB ARG 84 1HB ARG 84 6.195 5.869 2.165 679 2HB ARG 84 2HB ARG 84 5.950 4.528 1.054 680 1HG ARG 84 1HG ARG 84 8.173 3.578 2.101 681 2HG ARG 84 2HG ARG 84 7.832 4.724 3.415 682 1HD ARG 84 1HD ARG 84 5.429 3.731 3.403 683 2HD ARG 84 2HD ARG 84 6.072 2.476 2.355 684 HE ARG 84 HE ARG 84 7.318 1.555 4.086 685 1HH1 ARG 84 1HH1 ARG 84 5.789 4.540 5.220 686 2HH1 ARG 84 2HH1 ARG 84 5.737 4.047 6.888 687 1HH2 ARG 84 1HH2 ARG 84 7.257 0.903 6.277 688 2HH2 ARG 84 2HH2 ARG 84 6.652 1.980 7.502 689 H LYS 85 H LYS 85 5.826 5.378 -1.034 690 HA LYS 85 HA LYS 85 4.667 7.991 -0.868 691 1HB LYS 85 1HB LYS 85 4.909 8.771 -3.117 692 2HB LYS 85 2HB LYS 85 6.491 8.518 -2.393 693 1HG LYS 85 1HG LYS 85 6.769 7.787 -4.542 694 2HG LYS 85 2HG LYS 85 6.591 6.277 -3.644 695 1HD LYS 85 1HD LYS 85 4.390 5.905 -4.574 696 2HD LYS 85 2HD LYS 85 4.193 7.619 -4.976 697 1HE LYS 85 1HE LYS 85 4.526 6.362 -6.996 698 2HE LYS 85 2HE LYS 85 5.928 7.402 -6.742 699 1HZ LYS 85 1HZ LYS 85 7.100 5.503 -5.883 700 2HZ LYS 85 2HZ LYS 85 5.783 4.528 -6.081 701 3HZ LYS 85 3HZ LYS 85 6.533 5.183 -7.396 702 H LEU 86 H LEU 86 2.598 8.145 -1.649 703 HA LEU 86 HA LEU 86 1.132 5.671 -2.057 704 1HB LEU 86 1HB LEU 86 0.220 7.620 -0.831 705 2HB LEU 86 2HB LEU 86 0.405 8.623 -2.272 706 HG LEU 86 HG LEU 86 -1.287 7.201 -3.458 707 1HD1 LEU 86 1HD1 LEU 86 -1.092 5.095 -2.198 708 2HD1 LEU 86 2HD1 LEU 86 -1.573 5.917 -0.702 709 3HD1 LEU 86 3HD1 LEU 86 -2.732 5.725 -2.032 710 1HD2 LEU 86 1HD2 LEU 86 -2.175 8.419 -0.807 711 2HD2 LEU 86 2HD2 LEU 86 -1.898 9.308 -2.320 712 3HD2 LEU 86 3HD2 LEU 86 -3.210 8.126 -2.221 713 H LEU 87 H LEU 87 1.044 4.665 -4.068 714 HA LEU 87 HA LEU 87 1.788 6.109 -6.531 715 1HB LEU 87 1HB LEU 87 1.030 3.279 -5.814 716 2HB LEU 87 2HB LEU 87 0.694 3.820 -7.452 717 HG LEU 87 HG LEU 87 3.445 4.163 -6.258 718 1HD1 LEU 87 1HD1 LEU 87 2.912 1.786 -6.068 719 2HD1 LEU 87 2HD1 LEU 87 2.281 1.752 -7.730 720 3HD1 LEU 87 3HD1 LEU 87 4.011 2.016 -7.440 721 1HD2 LEU 87 1HD2 LEU 87 2.428 3.846 -9.132 722 2HD2 LEU 87 2HD2 LEU 87 2.845 5.400 -8.394 723 3HD2 LEU 87 3HD2 LEU 87 4.101 4.174 -8.641 724 H ARG 88 H ARG 88 -1.153 4.663 -5.022 725 HA ARG 88 HA ARG 88 -2.925 6.596 -6.214 726 1HB ARG 88 1HB ARG 88 -4.112 4.941 -7.714 727 2HB ARG 88 2HB ARG 88 -2.513 5.424 -8.278 728 1HG ARG 88 1HG ARG 88 -1.574 3.344 -7.214 729 2HG ARG 88 2HG ARG 88 -3.228 2.810 -6.871 730 1HD ARG 88 1HD ARG 88 -3.642 2.715 -9.321 731 2HD ARG 88 2HD ARG 88 -2.066 3.482 -9.603 732 HE ARG 88 HE ARG 88 -1.867 1.060 -8.011 733 1HH1 ARG 88 1HH1 ARG 88 -2.053 2.180 -11.352 734 2HH1 ARG 88 2HH1 ARG 88 -0.894 1.022 -11.947 735 1HH2 ARG 88 1HH2 ARG 88 -0.298 -0.366 -8.728 736 2HH2 ARG 88 2HH2 ARG 88 0.074 -0.516 -10.428 737 H PHE 89 H PHE 89 -5.143 6.149 -5.664 738 HA PHE 89 HA PHE 89 -5.591 4.232 -3.428 739 1HB PHE 89 1HB PHE 89 -4.995 6.563 -2.640 740 2HB PHE 89 2HB PHE 89 -6.414 7.149 -3.488 741 HD1 PHE 89 HD1 PHE 89 -5.165 5.100 -0.667 742 HD2 PHE 89 HD2 PHE 89 -8.629 6.878 -2.507 743 HE1 PHE 89 HE1 PHE 89 -6.460 4.732 1.419 744 HE2 PHE 89 HE2 PHE 89 -9.906 6.556 -0.411 745 HZ PHE 89 HZ PHE 89 -8.829 5.488 1.559 746 H ASN 90 H ASN 90 -6.830 2.890 -4.789 747 HA ASN 90 HA ASN 90 -8.827 4.171 -6.590 748 1HB ASN 90 1HB ASN 90 -8.079 1.255 -6.502 749 2HB ASN 90 2HB ASN 90 -8.792 2.167 -7.822 750 1HD2 ASN 90 1HD2 ASN 90 -6.026 0.617 -7.069 751 2HD2 ASN 90 2HD2 ASN 90 -4.870 1.621 -7.924 752 H GLY 91 H GLY 91 -11.022 3.789 -6.279 753 1HA GLY 91 1HA GLY 91 -12.360 1.715 -5.351 754 2HA GLY 91 2HA GLY 91 -11.845 2.422 -3.805 755 HA PRO 92 HA PRO 92 -13.616 2.405 -2.449 756 1HB PRO 92 1HB PRO 92 -16.249 1.711 -2.121 757 2HB PRO 92 2HB PRO 92 -15.532 3.247 -1.566 758 1HG PRO 92 1HG PRO 92 -17.037 2.723 -4.153 759 2HG PRO 92 2HG PRO 92 -17.321 4.049 -2.985 760 1HD PRO 92 1HD PRO 92 -15.818 4.426 -5.225 761 2HD PRO 92 2HD PRO 92 -15.325 5.174 -3.680 762 H VAL 93 H VAL 93 -13.521 0.153 -2.253 763 HA VAL 93 HA VAL 93 -14.662 -1.534 -4.382 764 HB VAL 93 HB VAL 93 -12.426 -2.872 -4.251 765 1HG1 VAL 93 1HG1 VAL 93 -13.338 -2.000 -6.309 766 2HG1 VAL 93 2HG1 VAL 93 -12.708 -0.383 -5.960 767 3HG1 VAL 93 3HG1 VAL 93 -11.589 -1.726 -6.256 768 1HG2 VAL 93 1HG2 VAL 93 -11.310 -0.071 -3.801 769 2HG2 VAL 93 2HG2 VAL 93 -11.311 -1.351 -2.571 770 3HG2 VAL 93 3HG2 VAL 93 -10.400 -1.562 -4.074 771 HA PRO 94 HA PRO 94 -15.566 -3.516 -0.487 772 1HB PRO 94 1HB PRO 94 -16.977 -5.717 -1.379 773 2HB PRO 94 2HB PRO 94 -17.622 -4.053 -1.510 774 1HG PRO 94 1HG PRO 94 -16.151 -5.663 -3.620 775 2HG PRO 94 2HG PRO 94 -17.716 -4.811 -3.795 776 1HD PRO 94 1HD PRO 94 -15.340 -3.703 -4.565 777 2HD PRO 94 2HD PRO 94 -16.644 -2.697 -3.857 778 HA PRO 95 HA PRO 95 -12.362 -6.609 -0.203 779 1HB PRO 95 1HB PRO 95 -13.142 -8.291 1.804 780 2HB PRO 95 2HB PRO 95 -12.729 -6.579 2.103 781 1HG PRO 95 1HG PRO 95 -15.482 -7.782 1.715 782 2HG PRO 95 2HG PRO 95 -14.951 -6.672 3.012 783 1HD PRO 95 1HD PRO 95 -16.256 -5.829 0.756 784 2HD PRO 95 2HD PRO 95 -15.034 -4.813 1.548 785 HA PRO 96 HA PRO 96 -13.789 -9.994 -2.787 786 1HB PRO 96 1HB PRO 96 -11.834 -11.881 -2.477 787 2HB PRO 96 2HB PRO 96 -11.561 -10.339 -3.340 788 1HG PRO 96 1HG PRO 96 -10.907 -10.970 -0.446 789 2HG PRO 96 2HG PRO 96 -9.832 -10.257 -1.685 790 1HD PRO 96 1HD PRO 96 -11.191 -8.709 0.112 791 2HD PRO 96 2HD PRO 96 -10.990 -8.167 -1.582 Start of MODEL 3 1 1H GLY 1 1H GLY 1 5.458 -15.001 -10.643 2 2H GLY 1 2H GLY 1 5.590 -13.698 -11.641 3 3H GLY 1 3H GLY 1 4.319 -14.736 -11.806 4 1HA GLY 1 1HA GLY 1 3.608 -12.718 -10.760 5 2HA GLY 1 2HA GLY 1 3.446 -14.110 -9.677 6 H GLU 2 H GLU 2 5.435 -14.563 -8.296 7 HA GLU 2 HA GLU 2 6.660 -13.952 -6.528 8 1HB GLU 2 1HB GLU 2 8.147 -13.380 -8.583 9 2HB GLU 2 2HB GLU 2 7.781 -11.691 -8.220 10 1HG GLU 2 1HG GLU 2 9.899 -12.278 -7.204 11 2HG GLU 2 2HG GLU 2 8.728 -12.046 -5.901 12 H TRP 3 H TRP 3 4.212 -13.178 -6.152 13 HA TRP 3 HA TRP 3 4.378 -10.533 -4.788 14 1HB TRP 3 1HB TRP 3 2.027 -11.968 -6.072 15 2HB TRP 3 2HB TRP 3 1.832 -10.801 -4.771 16 HD1 TRP 3 HD1 TRP 3 2.818 -10.910 -8.446 17 HE1 TRP 3 HE1 TRP 3 2.690 -8.560 -9.413 18 HE3 TRP 3 HE3 TRP 3 2.007 -8.321 -4.115 19 HZ2 TRP 3 HZ2 TRP 3 2.284 -5.852 -8.427 20 HZ3 TRP 3 HZ3 TRP 3 1.811 -5.850 -4.149 21 HH2 TRP 3 HH2 TRP 3 1.913 -4.612 -6.297 22 H GLU 4 H GLU 4 4.329 -10.748 -2.563 23 HA GLU 4 HA GLU 4 3.523 -13.400 -1.400 24 1HB GLU 4 1HB GLU 4 5.691 -11.454 -0.509 25 2HB GLU 4 2HB GLU 4 5.167 -12.895 0.343 26 1HG GLU 4 1HG GLU 4 7.159 -13.529 -0.790 27 2HG GLU 4 2HG GLU 4 5.830 -14.285 -1.675 28 H ILE 5 H ILE 5 2.340 -13.272 0.559 29 HA ILE 5 HA ILE 5 0.883 -10.747 0.949 30 HB ILE 5 HB ILE 5 0.453 -13.300 2.475 31 1HG1 ILE 5 1HG1 ILE 5 -1.583 -13.391 0.676 32 2HG1 ILE 5 2HG1 ILE 5 -0.330 -12.725 -0.364 33 1HG2 ILE 5 1HG2 ILE 5 -0.640 -11.236 3.313 34 2HG2 ILE 5 2HG2 ILE 5 -1.447 -11.051 1.740 35 3HG2 ILE 5 3HG2 ILE 5 -1.804 -12.445 2.777 36 1HD1 ILE 5 1HD1 ILE 5 1.104 -14.727 0.179 37 2HD1 ILE 5 2HD1 ILE 5 -0.172 -15.306 1.270 38 3HD1 ILE 5 3HD1 ILE 5 -0.471 -15.193 -0.474 39 H ILE 6 H ILE 6 1.067 -9.546 2.958 40 HA ILE 6 HA ILE 6 2.995 -10.616 4.966 41 HB ILE 6 HB ILE 6 3.615 -8.388 5.522 42 1HG1 ILE 6 1HG1 ILE 6 2.298 -7.270 3.038 43 2HG1 ILE 6 2HG1 ILE 6 1.483 -7.304 4.611 44 1HG2 ILE 6 1HG2 ILE 6 4.936 -9.706 3.858 45 2HG2 ILE 6 2HG2 ILE 6 4.110 -8.830 2.553 46 3HG2 ILE 6 3HG2 ILE 6 5.146 -7.958 3.707 47 1HD1 ILE 6 1HD1 ILE 6 3.211 -5.976 5.664 48 2HD1 ILE 6 2HD1 ILE 6 4.136 -5.912 4.147 49 3HD1 ILE 6 3HD1 ILE 6 2.549 -5.133 4.257 50 H ASP 7 H ASP 7 2.589 -9.740 7.147 51 HA ASP 7 HA ASP 7 -0.131 -10.197 7.878 52 1HB ASP 7 1HB ASP 7 2.232 -9.146 9.497 53 2HB ASP 7 2HB ASP 7 0.691 -9.694 10.164 54 H ILE 8 H ILE 8 -1.664 -8.793 8.578 55 HA ILE 8 HA ILE 8 -1.270 -5.898 8.285 56 HB ILE 8 HB ILE 8 -3.756 -6.105 9.025 57 1HG1 ILE 8 1HG1 ILE 8 -4.968 -7.868 7.828 58 2HG1 ILE 8 2HG1 ILE 8 -3.469 -8.709 7.451 59 1HG2 ILE 8 1HG2 ILE 8 -2.833 -5.062 6.949 60 2HG2 ILE 8 2HG2 ILE 8 -2.777 -6.664 6.192 61 3HG2 ILE 8 3HG2 ILE 8 -4.332 -5.925 6.625 62 1HD1 ILE 8 1HD1 ILE 8 -4.552 -8.197 10.264 63 2HD1 ILE 8 2HD1 ILE 8 -4.770 -9.695 9.338 64 3HD1 ILE 8 3HD1 ILE 8 -3.155 -9.224 9.852 65 H GLY 9 H GLY 9 -0.622 -4.788 10.017 66 1HA GLY 9 1HA GLY 9 -1.459 -5.375 12.742 67 2HA GLY 9 2HA GLY 9 0.204 -5.887 12.355 68 HA PRO 10 HA PRO 10 -0.090 -1.407 13.760 69 1HB PRO 10 1HB PRO 10 2.422 -1.279 14.983 70 2HB PRO 10 2HB PRO 10 0.880 -1.721 15.763 71 1HG PRO 10 1HG PRO 10 2.985 -3.574 14.642 72 2HG PRO 10 2HG PRO 10 2.116 -3.704 16.197 73 1HD PRO 10 1HD PRO 10 1.358 -5.169 14.083 74 2HD PRO 10 2HD PRO 10 0.104 -4.402 15.098 75 H PHE 11 H PHE 11 2.863 -2.898 12.367 76 HA PHE 11 HA PHE 11 3.984 -0.734 11.027 77 1HB PHE 11 1HB PHE 11 5.073 -2.871 11.075 78 2HB PHE 11 2HB PHE 11 3.703 -3.678 10.327 79 HD1 PHE 11 HD1 PHE 11 3.468 -3.848 7.947 80 HD2 PHE 11 HD2 PHE 11 6.503 -1.297 9.661 81 HE1 PHE 11 HE1 PHE 11 4.549 -3.635 5.730 82 HE2 PHE 11 HE2 PHE 11 7.589 -1.117 7.440 83 HZ PHE 11 HZ PHE 11 6.623 -2.299 5.475 84 H THR 12 H THR 12 1.519 -3.037 9.723 85 HA THR 12 HA THR 12 1.287 -1.752 7.248 86 HB THR 12 HB THR 12 -0.999 -3.380 8.197 87 HG1 THR 12 HG1 THR 12 0.761 -5.244 8.156 88 1HG2 THR 12 1HG2 THR 12 -0.432 -3.033 5.802 89 2HG2 THR 12 2HG2 THR 12 1.115 -3.874 6.058 90 3HG2 THR 12 3HG2 THR 12 -0.420 -4.749 6.254 91 H GLN 13 H GLN 13 -0.617 -1.547 10.254 92 HA GLN 13 HA GLN 13 -2.665 0.214 9.367 93 1HB GLN 13 1HB GLN 13 -1.329 -0.323 12.055 94 2HB GLN 13 2HB GLN 13 -2.686 0.780 11.862 95 1HG GLN 13 1HG GLN 13 -4.138 -0.978 11.066 96 2HG GLN 13 2HG GLN 13 -2.800 -2.136 10.998 97 1HE2 GLN 13 1HE2 GLN 13 -5.342 -0.915 12.972 98 2HE2 GLN 13 2HE2 GLN 13 -4.826 -1.701 14.449 99 H ASN 14 H ASN 14 0.567 0.871 10.849 100 HA ASN 14 HA ASN 14 0.385 3.673 10.844 101 1HB ASN 14 1HB ASN 14 2.201 2.440 11.948 102 2HB ASN 14 2HB ASN 14 2.848 1.940 10.387 103 1HD2 ASN 14 1HD2 ASN 14 2.652 4.584 12.682 104 2HD2 ASN 14 2HD2 ASN 14 3.695 5.663 11.772 105 H LEU 15 H LEU 15 1.678 1.506 8.240 106 HA LEU 15 HA LEU 15 2.195 3.668 6.425 107 1HB LEU 15 1HB LEU 15 1.564 0.751 5.836 108 2HB LEU 15 2HB LEU 15 2.153 1.930 4.657 109 HG LEU 15 HG LEU 15 3.665 0.950 7.117 110 1HD1 LEU 15 1HD1 LEU 15 3.540 -0.668 5.272 111 2HD1 LEU 15 2HD1 LEU 15 4.103 0.564 4.123 112 3HD1 LEU 15 3HD1 LEU 15 5.180 -0.008 5.410 113 1HD2 LEU 15 1HD2 LEU 15 4.471 3.011 5.016 114 2HD2 LEU 15 2HD2 LEU 15 4.309 3.279 6.769 115 3HD2 LEU 15 3HD2 LEU 15 5.586 2.237 6.166 116 H GLY 16 H GLY 16 -0.709 1.632 6.856 117 1HA GLY 16 1HA GLY 16 -2.285 2.743 4.779 118 2HA GLY 16 2HA GLY 16 -2.893 2.036 6.283 119 H LYS 17 H LYS 17 -1.796 3.855 8.194 120 HA LYS 17 HA LYS 17 -3.777 5.861 8.099 121 1HB LYS 17 1HB LYS 17 -2.322 4.697 10.075 122 2HB LYS 17 2HB LYS 17 -1.325 6.121 9.868 123 1HG LYS 17 1HG LYS 17 -4.281 5.988 10.594 124 2HG LYS 17 2HG LYS 17 -2.934 6.534 11.609 125 1HD LYS 17 1HD LYS 17 -2.501 8.337 9.858 126 2HD LYS 17 2HD LYS 17 -4.044 7.865 9.107 127 1HE LYS 17 1HE LYS 17 -5.239 8.356 11.237 128 2HE LYS 17 2HE LYS 17 -3.711 8.897 11.960 129 1HZ LYS 17 1HZ LYS 17 -3.590 10.594 10.284 130 2HZ LYS 17 2HZ LYS 17 -5.004 10.088 9.606 131 3HZ LYS 17 3HZ LYS 17 -4.999 10.717 11.128 132 H PHE 18 H PHE 18 -0.261 5.878 7.745 133 HA PHE 18 HA PHE 18 0.195 8.564 7.041 134 1HB PHE 18 1HB PHE 18 2.135 7.305 7.419 135 2HB PHE 18 2HB PHE 18 1.553 5.934 6.499 136 HD1 PHE 18 HD1 PHE 18 2.739 9.461 6.023 137 HD2 PHE 18 HD2 PHE 18 2.151 5.566 4.255 138 HE1 PHE 18 HE1 PHE 18 3.758 10.256 3.906 139 HE2 PHE 18 HE2 PHE 18 3.166 6.367 2.153 140 HZ PHE 18 HZ PHE 18 3.937 8.729 1.967 141 H ALA 19 H ALA 19 -0.702 5.839 4.919 142 HA ALA 19 HA ALA 19 -0.654 7.288 2.486 143 1HB ALA 19 1HB ALA 19 -0.839 4.840 2.632 144 2HB ALA 19 2HB ALA 19 -2.494 4.972 3.245 145 3HB ALA 19 3HB ALA 19 -2.126 5.528 1.611 146 H VAL 20 H VAL 20 -3.362 6.671 4.718 147 HA VAL 20 HA VAL 20 -5.263 8.285 3.278 148 HB VAL 20 HB VAL 20 -5.170 7.416 6.184 149 1HG1 VAL 20 1HG1 VAL 20 -6.599 9.393 6.109 150 2HG1 VAL 20 2HG1 VAL 20 -7.368 8.834 4.609 151 3HG1 VAL 20 3HG1 VAL 20 -7.657 7.980 6.133 152 1HG2 VAL 20 1HG2 VAL 20 -6.797 6.468 3.763 153 2HG2 VAL 20 2HG2 VAL 20 -5.426 5.597 4.470 154 3HG2 VAL 20 3HG2 VAL 20 -6.916 5.810 5.404 155 H ASP 21 H ASP 21 -2.882 9.084 5.826 156 HA ASP 21 HA ASP 21 -3.811 11.707 6.337 157 1HB ASP 21 1HB ASP 21 -2.330 10.585 7.869 158 2HB ASP 21 2HB ASP 21 -1.060 10.442 6.654 159 H GLU 22 H GLU 22 -1.306 10.479 4.106 160 HA GLU 22 HA GLU 22 -0.546 12.959 2.943 161 1HB GLU 22 1HB GLU 22 0.657 10.714 2.664 162 2HB GLU 22 2HB GLU 22 -0.630 10.237 1.552 163 1HG GLU 22 1HG GLU 22 -0.076 12.262 0.139 164 2HG GLU 22 2HG GLU 22 1.264 12.615 1.241 165 H GLU 23 H GLU 23 -2.988 10.528 2.008 166 HA GLU 23 HA GLU 23 -3.945 11.765 -0.326 167 1HB GLU 23 1HB GLU 23 -4.379 9.422 0.520 168 2HB GLU 23 2HB GLU 23 -5.574 10.092 1.643 169 1HG GLU 23 1HG GLU 23 -5.635 10.360 -1.396 170 2HG GLU 23 2HG GLU 23 -6.523 9.154 -0.451 171 H ASN 24 H ASN 24 -5.131 12.051 3.065 172 HA ASN 24 HA ASN 24 -7.165 13.971 2.596 173 1HB ASN 24 1HB ASN 24 -5.554 12.985 4.972 174 2HB ASN 24 2HB ASN 24 -6.436 14.485 5.106 175 1HD2 ASN 24 1HD2 ASN 24 -7.739 13.520 6.775 176 2HD2 ASN 24 2HD2 ASN 24 -9.056 12.445 6.329 177 H LYS 25 H LYS 25 -3.650 14.307 3.322 178 HA LYS 25 HA LYS 25 -3.721 17.097 3.724 179 1HB LYS 25 1HB LYS 25 -1.783 15.397 4.125 180 2HB LYS 25 2HB LYS 25 -1.396 15.649 2.420 181 1HG LYS 25 1HG LYS 25 -0.002 17.136 3.539 182 2HG LYS 25 2HG LYS 25 -1.332 18.185 3.015 183 1HD LYS 25 1HD LYS 25 -2.370 17.883 5.323 184 2HD LYS 25 2HD LYS 25 -0.953 16.939 5.795 185 1HE LYS 25 1HE LYS 25 -0.956 19.863 4.898 186 2HE LYS 25 2HE LYS 25 -0.818 19.284 6.566 187 1HZ LYS 25 1HZ LYS 25 1.219 18.184 5.949 188 2HZ LYS 25 2HZ LYS 25 1.108 18.773 4.413 189 3HZ LYS 25 3HZ LYS 25 1.305 19.807 5.679 190 H ILE 26 H ILE 26 -3.334 15.190 0.724 191 HA ILE 26 HA ILE 26 -3.237 17.512 -1.026 192 HB ILE 26 HB ILE 26 -4.002 14.619 -1.580 193 1HG1 ILE 26 1HG1 ILE 26 -1.398 16.119 -2.136 194 2HG1 ILE 26 2HG1 ILE 26 -1.639 15.062 -0.746 195 1HG2 ILE 26 1HG2 ILE 26 -4.939 16.145 -3.307 196 2HG2 ILE 26 2HG2 ILE 26 -3.341 16.884 -3.517 197 3HG2 ILE 26 3HG2 ILE 26 -3.624 15.190 -3.968 198 1HD1 ILE 26 1HD1 ILE 26 -2.139 13.158 -2.282 199 2HD1 ILE 26 2HD1 ILE 26 -1.666 14.194 -3.652 200 3HD1 ILE 26 3HD1 ILE 26 -0.488 13.798 -2.396 201 H GLY 27 H GLY 27 -5.835 15.363 0.162 202 1HA GLY 27 1HA GLY 27 -8.031 15.832 0.579 203 2HA GLY 27 2HA GLY 27 -7.867 17.445 -0.126 204 H GLN 28 H GLN 28 -6.742 14.598 -1.887 205 HA GLN 28 HA GLN 28 -8.190 15.348 -4.199 206 1HB GLN 28 1HB GLN 28 -6.054 14.020 -4.103 207 2HB GLN 28 2HB GLN 28 -7.000 12.603 -3.619 208 1HG GLN 28 1HG GLN 28 -8.270 12.723 -5.742 209 2HG GLN 28 2HG GLN 28 -7.427 14.224 -6.167 210 1HE2 GLN 28 1HE2 GLN 28 -6.454 13.413 -8.088 211 2HE2 GLN 28 2HE2 GLN 28 -5.211 12.176 -8.022 212 H TYR 29 H TYR 29 -8.866 12.967 -1.678 213 HA TYR 29 HA TYR 29 -11.681 12.631 -2.706 214 1HB TYR 29 1HB TYR 29 -9.929 10.841 -0.986 215 2HB TYR 29 2HB TYR 29 -11.669 10.701 -1.090 216 HD1 TYR 29 HD1 TYR 29 -8.565 10.456 -3.177 217 HD2 TYR 29 HD2 TYR 29 -12.787 9.632 -2.857 218 HE1 TYR 29 HE1 TYR 29 -8.400 8.822 -5.045 219 HE2 TYR 29 HE2 TYR 29 -12.608 7.989 -4.685 220 HH TYR 29 HH TYR 29 -11.138 6.672 -5.841 221 H GLY 30 H GLY 30 -10.663 14.984 -1.347 222 1HA GLY 30 1HA GLY 30 -11.212 16.384 0.387 223 2HA GLY 30 2HA GLY 30 -12.659 15.386 0.622 224 H ARG 31 H ARG 31 -12.658 15.178 2.835 225 HA ARG 31 HA ARG 31 -10.185 14.384 4.292 226 1HB ARG 31 1HB ARG 31 -12.854 15.568 5.149 227 2HB ARG 31 2HB ARG 31 -11.606 14.998 6.266 228 1HG ARG 31 1HG ARG 31 -9.983 16.586 5.355 229 2HG ARG 31 2HG ARG 31 -11.151 17.162 4.157 230 1HD ARG 31 1HD ARG 31 -12.608 18.057 5.840 231 2HD ARG 31 2HD ARG 31 -11.719 17.299 7.155 232 HE ARG 31 HE ARG 31 -11.089 19.770 5.755 233 1HH1 ARG 31 1HH1 ARG 31 -9.677 17.114 7.597 234 2HH1 ARG 31 2HH1 ARG 31 -8.322 18.040 8.185 235 1HH2 ARG 31 1HH2 ARG 31 -9.306 20.992 6.478 236 2HH2 ARG 31 2HH2 ARG 31 -8.100 20.283 7.516 237 H LEU 32 H LEU 32 -10.123 12.140 3.791 238 HA LEU 32 HA LEU 32 -12.424 10.435 4.520 239 1HB LEU 32 1HB LEU 32 -9.515 9.730 3.974 240 2HB LEU 32 2HB LEU 32 -10.857 8.591 4.125 241 HG LEU 32 HG LEU 32 -10.486 10.667 1.917 242 1HD1 LEU 32 1HD1 LEU 32 -9.002 8.680 1.804 243 2HD1 LEU 32 2HD1 LEU 32 -10.424 7.619 1.889 244 3HD1 LEU 32 3HD1 LEU 32 -10.195 8.692 0.492 245 1HD2 LEU 32 1HD2 LEU 32 -12.742 8.666 2.401 246 2HD2 LEU 32 2HD2 LEU 32 -12.882 10.439 2.303 247 3HD2 LEU 32 3HD2 LEU 32 -12.459 9.512 0.865 248 H THR 33 H THR 33 -11.843 8.645 6.204 249 HA THR 33 HA THR 33 -10.272 9.689 8.506 250 HB THR 33 HB THR 33 -13.163 8.736 8.578 251 HG1 THR 33 HG1 THR 33 -12.450 11.042 8.035 252 1HG2 THR 33 1HG2 THR 33 -11.931 7.914 10.578 253 2HG2 THR 33 2HG2 THR 33 -11.295 9.551 10.857 254 3HG2 THR 33 3HG2 THR 33 -13.032 9.231 11.012 255 H PHE 34 H PHE 34 -8.706 8.133 8.387 256 HA PHE 34 HA PHE 34 -8.953 5.480 7.495 257 1HB PHE 34 1HB PHE 34 -6.832 6.417 7.791 258 2HB PHE 34 2HB PHE 34 -7.098 6.795 9.499 259 HD1 PHE 34 HD1 PHE 34 -7.103 4.944 11.205 260 HD2 PHE 34 HD2 PHE 34 -5.982 4.275 7.088 261 HE1 PHE 34 HE1 PHE 34 -5.784 2.968 11.879 262 HE2 PHE 34 HE2 PHE 34 -4.713 2.263 7.772 263 HZ PHE 34 HZ PHE 34 -4.511 1.676 10.173 264 H ASN 35 H ASN 35 -9.679 3.645 8.348 265 HA ASN 35 HA ASN 35 -10.757 3.649 11.146 266 1HB ASN 35 1HB ASN 35 -12.168 3.041 8.961 267 2HB ASN 35 2HB ASN 35 -11.410 1.477 9.142 268 1HD2 ASN 35 1HD2 ASN 35 -13.210 3.945 11.053 269 2HD2 ASN 35 2HD2 ASN 35 -14.048 2.762 12.036 270 H LYS 36 H LYS 36 -9.307 1.427 8.760 271 HA LYS 36 HA LYS 36 -7.032 0.686 10.293 272 1HB LYS 36 1HB LYS 36 -7.671 -1.631 10.928 273 2HB LYS 36 2HB LYS 36 -8.517 -0.395 11.833 274 1HG LYS 36 1HG LYS 36 -10.303 -0.836 9.746 275 2HG LYS 36 2HG LYS 36 -9.574 -2.436 9.946 276 1HD LYS 36 1HD LYS 36 -10.108 -2.304 12.410 277 2HD LYS 36 2HD LYS 36 -10.830 -0.705 12.130 278 1HE LYS 36 1HE LYS 36 -12.429 -1.795 10.488 279 2HE LYS 36 2HE LYS 36 -11.805 -3.371 11.014 280 1HZ LYS 36 1HZ LYS 36 -12.504 -2.779 13.246 281 2HZ LYS 36 2HZ LYS 36 -13.089 -1.336 12.699 282 3HZ LYS 36 3HZ LYS 36 -13.774 -2.746 12.194 283 H VAL 37 H VAL 37 -6.132 -1.520 9.268 284 HA VAL 37 HA VAL 37 -6.813 -1.594 6.373 285 HB VAL 37 HB VAL 37 -4.618 -0.630 6.917 286 1HG1 VAL 37 1HG1 VAL 37 -4.071 -1.848 8.970 287 2HG1 VAL 37 2HG1 VAL 37 -3.912 -3.362 8.066 288 3HG1 VAL 37 3HG1 VAL 37 -2.796 -2.018 7.759 289 1HG2 VAL 37 1HG2 VAL 37 -4.406 -3.328 5.510 290 2HG2 VAL 37 2HG2 VAL 37 -4.929 -1.791 4.784 291 3HG2 VAL 37 3HG2 VAL 37 -3.271 -1.973 5.371 292 H ILE 38 H ILE 38 -6.844 -3.678 5.410 293 HA ILE 38 HA ILE 38 -6.830 -5.999 7.269 294 HB ILE 38 HB ILE 38 -8.963 -6.806 6.347 295 1HG1 ILE 38 1HG1 ILE 38 -9.484 -3.995 5.297 296 2HG1 ILE 38 2HG1 ILE 38 -8.879 -5.297 4.263 297 1HG2 ILE 38 1HG2 ILE 38 -8.810 -5.626 8.545 298 2HG2 ILE 38 2HG2 ILE 38 -9.305 -4.123 7.740 299 3HG2 ILE 38 3HG2 ILE 38 -10.404 -5.514 7.790 300 1HD1 ILE 38 1HD1 ILE 38 -10.827 -6.708 4.869 301 2HD1 ILE 38 2HD1 ILE 38 -11.505 -5.344 5.793 302 3HD1 ILE 38 3HD1 ILE 38 -11.278 -5.213 4.044 303 H ARG 39 H ARG 39 -7.099 -8.063 6.024 304 HA ARG 39 HA ARG 39 -5.216 -8.203 3.873 305 1HB ARG 39 1HB ARG 39 -6.252 -10.555 3.622 306 2HB ARG 39 2HB ARG 39 -5.374 -10.196 5.096 307 1HG ARG 39 1HG ARG 39 -8.394 -9.811 4.973 308 2HG ARG 39 2HG ARG 39 -7.711 -11.424 5.113 309 1HD ARG 39 1HD ARG 39 -7.401 -11.228 7.281 310 2HD ARG 39 2HD ARG 39 -6.350 -9.823 7.077 311 HE ARG 39 HE ARG 39 -9.074 -9.000 6.839 312 1HH1 ARG 39 1HH1 ARG 39 -6.865 -10.304 9.264 313 2HH1 ARG 39 2HH1 ARG 39 -7.666 -9.550 10.614 314 1HH2 ARG 39 1HH2 ARG 39 -10.132 -7.989 8.597 315 2HH2 ARG 39 2HH2 ARG 39 -9.562 -8.225 10.226 316 HA PRO 40 HA PRO 40 -5.062 -9.730 1.907 317 1HB PRO 40 1HB PRO 40 -4.575 -9.213 -0.710 318 2HB PRO 40 2HB PRO 40 -5.840 -10.363 -0.184 319 1HG PRO 40 1HG PRO 40 -6.195 -7.452 -0.932 320 2HG PRO 40 2HG PRO 40 -7.111 -8.850 -1.566 321 1HD PRO 40 1HD PRO 40 -8.095 -7.357 0.501 322 2HD PRO 40 2HD PRO 40 -8.280 -9.126 0.497 323 H CYS 41 H CYS 41 -2.876 -9.081 1.851 324 HA CYS 41 HA CYS 41 -2.233 -6.268 1.255 325 1HB CYS 41 1HB CYS 41 -2.596 -6.244 3.699 326 2HB CYS 41 2HB CYS 41 -1.514 -7.656 3.871 327 HG CYS 41 HG CYS 41 -0.021 -5.815 4.558 328 H MET 42 H MET 42 -0.906 -6.652 -0.410 329 HA MET 42 HA MET 42 0.904 -9.013 -0.322 330 1HB MET 42 1HB MET 42 -1.361 -8.662 -1.908 331 2HB MET 42 2HB MET 42 -0.075 -8.102 -2.973 332 1HG MET 42 1HG MET 42 1.108 -10.283 -2.577 333 2HG MET 42 2HG MET 42 -0.211 -10.757 -1.495 334 1HE MET 42 1HE MET 42 0.681 -12.701 -3.712 335 2HE MET 42 2HE MET 42 -0.752 -13.025 -2.710 336 3HE MET 42 3HE MET 42 -0.855 -13.162 -4.478 337 H LYS 43 H LYS 43 3.006 -8.713 -1.109 338 HA LYS 43 HA LYS 43 3.660 -6.021 -2.146 339 1HB LYS 43 1HB LYS 43 5.578 -5.861 -0.802 340 2HB LYS 43 2HB LYS 43 4.304 -6.402 0.302 341 1HG LYS 43 1HG LYS 43 5.178 -8.721 0.148 342 2HG LYS 43 2HG LYS 43 6.418 -8.194 -1.005 343 1HD LYS 43 1HD LYS 43 7.379 -6.640 0.649 344 2HD LYS 43 2HD LYS 43 6.150 -7.113 1.824 345 1HE LYS 43 1HE LYS 43 8.231 -8.295 2.297 346 2HE LYS 43 2HE LYS 43 7.011 -9.464 1.765 347 1HZ LYS 43 1HZ LYS 43 8.022 -9.440 -0.398 348 2HZ LYS 43 2HZ LYS 43 9.120 -8.306 0.072 349 3HZ LYS 43 3HZ LYS 43 9.150 -9.810 0.741 350 H LYS 44 H LYS 44 5.592 -5.893 -3.400 351 HA LYS 44 HA LYS 44 6.701 -8.388 -4.516 352 1HB LYS 44 1HB LYS 44 4.666 -7.757 -5.821 353 2HB LYS 44 2HB LYS 44 5.437 -6.242 -6.275 354 1HG LYS 44 1HG LYS 44 7.212 -8.478 -6.902 355 2HG LYS 44 2HG LYS 44 5.594 -8.870 -7.467 356 1HD LYS 44 1HD LYS 44 5.456 -6.765 -8.719 357 2HD LYS 44 2HD LYS 44 7.048 -6.270 -8.099 358 1HE LYS 44 1HE LYS 44 8.106 -8.214 -9.203 359 2HE LYS 44 2HE LYS 44 6.525 -8.736 -9.823 360 1HZ LYS 44 1HZ LYS 44 6.408 -6.675 -11.036 361 2HZ LYS 44 2HZ LYS 44 7.875 -6.201 -10.447 362 3HZ LYS 44 3HZ LYS 44 7.770 -7.510 -11.445 363 H THR 45 H THR 45 8.764 -7.912 -5.598 364 HA THR 45 HA THR 45 10.118 -5.489 -4.591 365 HB THR 45 HB THR 45 11.171 -7.910 -6.102 366 HG1 THR 45 HG1 THR 45 10.316 -8.242 -3.942 367 1HG2 THR 45 1HG2 THR 45 12.625 -5.658 -4.641 368 2HG2 THR 45 2HG2 THR 45 13.381 -7.150 -5.232 369 3HG2 THR 45 3HG2 THR 45 12.693 -5.992 -6.382 370 H ILE 46 H ILE 46 10.848 -3.830 -5.898 371 HA ILE 46 HA ILE 46 10.076 -3.904 -8.760 372 HB ILE 46 HB ILE 46 9.409 -2.075 -6.701 373 1HG1 ILE 46 1HG1 ILE 46 7.972 -1.107 -8.496 374 2HG1 ILE 46 2HG1 ILE 46 8.790 -2.115 -9.687 375 1HG2 ILE 46 1HG2 ILE 46 11.358 -0.714 -7.272 376 2HG2 ILE 46 2HG2 ILE 46 10.891 -0.733 -8.992 377 3HG2 ILE 46 3HG2 ILE 46 9.872 0.073 -7.786 378 1HD1 ILE 46 1HD1 ILE 46 7.876 -4.135 -8.695 379 2HD1 ILE 46 2HD1 ILE 46 7.331 -3.251 -7.256 380 3HD1 ILE 46 3HD1 ILE 46 6.552 -2.973 -8.827 381 H TYR 47 H TYR 47 11.508 -3.582 -10.246 382 HA TYR 47 HA TYR 47 14.345 -3.109 -9.496 383 1HB TYR 47 1HB TYR 47 13.150 -4.829 -11.712 384 2HB TYR 47 2HB TYR 47 14.864 -4.589 -11.418 385 HD1 TYR 47 HD1 TYR 47 16.055 -6.044 -9.964 386 HD2 TYR 47 HD2 TYR 47 11.740 -6.061 -9.950 387 HE1 TYR 47 HE1 TYR 47 16.055 -8.125 -8.616 388 HE2 TYR 47 HE2 TYR 47 11.748 -8.093 -8.561 389 HH TYR 47 HH TYR 47 13.049 -9.687 -7.491 390 H GLU 48 H GLU 48 15.602 -2.335 -11.444 391 HA GLU 48 HA GLU 48 13.963 -0.787 -13.330 392 1HB GLU 48 1HB GLU 48 16.248 0.157 -11.664 393 2HB GLU 48 2HB GLU 48 16.429 0.505 -13.372 394 1HG GLU 48 1HG GLU 48 13.985 1.251 -11.721 395 2HG GLU 48 2HG GLU 48 15.304 2.352 -12.170 396 H ASN 49 H ASN 49 14.863 -0.557 -15.205 397 HA ASN 49 HA ASN 49 16.247 -2.959 -16.317 398 1HB ASN 49 1HB ASN 49 14.114 -2.337 -17.342 399 2HB ASN 49 2HB ASN 49 14.687 -0.688 -17.625 400 1HD2 ASN 49 1HD2 ASN 49 15.258 -0.363 -19.763 401 2HD2 ASN 49 2HD2 ASN 49 15.992 -1.594 -20.772 402 H GLU 50 H GLU 50 16.395 0.628 -16.272 403 HA GLU 50 HA GLU 50 18.736 0.913 -17.817 404 1HB GLU 50 1HB GLU 50 18.956 3.116 -16.768 405 2HB GLU 50 2HB GLU 50 17.306 2.811 -17.319 406 1HG GLU 50 1HG GLU 50 16.613 2.318 -14.997 407 2HG GLU 50 2HG GLU 50 18.269 2.555 -14.425 408 H GLY 51 H GLY 51 20.900 1.091 -17.285 409 1HA GLY 51 1HA GLY 51 22.841 0.766 -16.019 410 2HA GLY 51 2HA GLY 51 21.890 0.166 -14.646 411 H PHE 52 H PHE 52 21.457 -1.995 -14.574 412 HA PHE 52 HA PHE 52 21.287 -3.765 -16.799 413 1HB PHE 52 1HB PHE 52 23.829 -3.203 -16.599 414 2HB PHE 52 2HB PHE 52 23.831 -4.201 -15.178 415 HD1 PHE 52 HD1 PHE 52 23.230 -4.108 -18.850 416 HD2 PHE 52 HD2 PHE 52 23.738 -6.651 -15.403 417 HE1 PHE 52 HE1 PHE 52 23.591 -6.060 -20.340 418 HE2 PHE 52 HE2 PHE 52 24.116 -8.595 -16.898 419 HZ PHE 52 HZ PHE 52 24.050 -8.303 -19.368 420 H ARG 53 H ARG 53 19.359 -3.871 -15.297 421 HA ARG 53 HA ARG 53 18.045 -5.114 -13.931 422 1HB ARG 53 1HB ARG 53 19.175 -6.975 -15.194 423 2HB ARG 53 2HB ARG 53 20.343 -7.104 -13.881 424 1HG ARG 53 1HG ARG 53 18.004 -7.287 -12.448 425 2HG ARG 53 2HG ARG 53 17.490 -7.975 -13.991 426 1HD ARG 53 1HD ARG 53 19.859 -8.817 -12.266 427 2HD ARG 53 2HD ARG 53 18.335 -9.711 -12.463 428 HE ARG 53 HE ARG 53 19.411 -9.370 -15.037 429 1HH1 ARG 53 1HH1 ARG 53 20.308 -10.985 -12.031 430 2HH1 ARG 53 2HH1 ARG 53 21.277 -12.212 -12.800 431 1HH2 ARG 53 1HH2 ARG 53 20.678 -10.965 -16.070 432 2HH2 ARG 53 2HH2 ARG 53 21.484 -12.202 -15.144 433 H GLU 54 H GLU 54 17.979 -3.648 -12.110 434 HA GLU 54 HA GLU 54 19.423 -4.656 -9.783 435 1HB GLU 54 1HB GLU 54 20.817 -2.833 -10.801 436 2HB GLU 54 2HB GLU 54 19.460 -1.714 -10.579 437 1HG GLU 54 1HG GLU 54 19.612 -2.018 -8.126 438 2HG GLU 54 2HG GLU 54 20.865 -3.251 -8.338 439 H ILE 55 H ILE 55 18.366 -4.343 -7.838 440 HA ILE 55 HA ILE 55 15.508 -3.870 -7.860 441 HB ILE 55 HB ILE 55 17.521 -4.194 -5.612 442 1HG1 ILE 55 1HG1 ILE 55 15.372 -6.086 -6.665 443 2HG1 ILE 55 2HG1 ILE 55 17.079 -6.178 -7.133 444 1HG2 ILE 55 1HG2 ILE 55 15.599 -2.870 -4.798 445 2HG2 ILE 55 2HG2 ILE 55 14.470 -4.042 -5.503 446 3HG2 ILE 55 3HG2 ILE 55 15.515 -4.490 -4.141 447 1HD1 ILE 55 1HD1 ILE 55 17.692 -6.513 -4.729 448 2HD1 ILE 55 2HD1 ILE 55 15.959 -6.641 -4.346 449 3HD1 ILE 55 3HD1 ILE 55 16.709 -7.809 -5.437 450 H LYS 56 H LYS 56 14.507 -1.888 -7.585 451 HA LYS 56 HA LYS 56 16.195 0.410 -6.645 452 1HB LYS 56 1HB LYS 56 15.330 0.577 -8.998 453 2HB LYS 56 2HB LYS 56 13.686 0.626 -8.328 454 1HG LYS 56 1HG LYS 56 14.256 2.684 -7.054 455 2HG LYS 56 2HG LYS 56 15.950 2.510 -7.502 456 1HD LYS 56 1HD LYS 56 15.062 4.239 -8.867 457 2HD LYS 56 2HD LYS 56 15.383 2.840 -9.888 458 1HE LYS 56 1HE LYS 56 13.258 3.832 -10.531 459 2HE LYS 56 2HE LYS 56 12.917 2.264 -9.789 460 1HZ LYS 56 1HZ LYS 56 12.382 3.416 -7.762 461 2HZ LYS 56 2HZ LYS 56 12.738 4.873 -8.445 462 3HZ LYS 56 3HZ LYS 56 11.465 3.989 -9.005 463 H GLY 57 H GLY 57 13.272 -1.563 -6.055 464 1HA GLY 57 1HA GLY 57 12.971 -0.409 -3.433 465 2HA GLY 57 2HA GLY 57 11.831 0.298 -4.609 466 H TYR 58 H TYR 58 10.254 -0.694 -3.087 467 HA TYR 58 HA TYR 58 9.422 -3.306 -4.149 468 1HB TYR 58 1HB TYR 58 9.203 -2.718 -1.198 469 2HB TYR 58 2HB TYR 58 8.944 -4.227 -2.030 470 HD1 TYR 58 HD1 TYR 58 10.773 -5.797 -2.376 471 HD2 TYR 58 HD2 TYR 58 11.558 -1.849 -0.835 472 HE1 TYR 58 HE1 TYR 58 13.145 -6.398 -2.045 473 HE2 TYR 58 HE2 TYR 58 13.904 -2.480 -0.410 474 HH TYR 58 HH TYR 58 15.221 -5.675 -1.350 475 H GLU 59 H GLU 59 7.145 -3.586 -3.803 476 HA GLU 59 HA GLU 59 5.598 -1.078 -3.287 477 1HB GLU 59 1HB GLU 59 5.543 -2.873 -5.692 478 2HB GLU 59 2HB GLU 59 3.983 -2.458 -4.994 479 1HG GLU 59 1HG GLU 59 4.419 -0.851 -6.680 480 2HG GLU 59 2HG GLU 59 4.489 -0.050 -5.110 481 H TYR 60 H TYR 60 3.761 -1.362 -2.108 482 HA TYR 60 HA TYR 60 3.080 -4.068 -1.050 483 1HB TYR 60 1HB TYR 60 3.251 -1.479 0.503 484 2HB TYR 60 2HB TYR 60 2.725 -3.031 1.121 485 HD1 TYR 60 HD1 TYR 60 5.702 -1.222 -0.300 486 HD2 TYR 60 HD2 TYR 60 4.299 -4.474 2.159 487 HE1 TYR 60 HE1 TYR 60 7.991 -1.586 0.532 488 HE2 TYR 60 HE2 TYR 60 6.575 -4.717 3.120 489 HH TYR 60 HH TYR 60 9.353 -2.774 2.001 490 H GLN 61 H GLN 61 1.108 -4.354 -1.884 491 HA GLN 61 HA GLN 61 -0.765 -2.088 -2.313 492 1HB GLN 61 1HB GLN 61 0.052 -3.444 -4.278 493 2HB GLN 61 2HB GLN 61 -0.790 -4.847 -3.595 494 1HG GLN 61 1HG GLN 61 -2.939 -3.602 -3.728 495 2HG GLN 61 2HG GLN 61 -2.050 -2.163 -4.271 496 1HE2 GLN 61 1HE2 GLN 61 -3.741 -2.366 -6.102 497 2HE2 GLN 61 2HE2 GLN 61 -3.244 -3.370 -7.449 498 H LEU 62 H LEU 62 -2.490 -1.976 -0.915 499 HA LEU 62 HA LEU 62 -3.597 -4.432 0.221 500 1HB LEU 62 1HB LEU 62 -3.237 -3.783 2.546 501 2HB LEU 62 2HB LEU 62 -1.762 -4.138 1.665 502 HG LEU 62 HG LEU 62 -1.562 -2.373 3.327 503 1HD1 LEU 62 1HD1 LEU 62 0.028 -2.605 1.409 504 2HD1 LEU 62 2HD1 LEU 62 -0.865 -1.310 0.575 505 3HD1 LEU 62 3HD1 LEU 62 -0.070 -0.986 2.118 506 1HD2 LEU 62 1HD2 LEU 62 -3.023 -0.528 1.426 507 2HD2 LEU 62 2HD2 LEU 62 -3.761 -1.235 2.881 508 3HD2 LEU 62 3HD2 LEU 62 -2.359 -0.157 3.025 509 H TYR 63 H TYR 63 -5.449 -4.027 1.696 510 HA TYR 63 HA TYR 63 -7.046 -1.794 0.592 511 1HB TYR 63 1HB TYR 63 -7.608 -4.622 1.406 512 2HB TYR 63 2HB TYR 63 -8.836 -3.420 1.707 513 HD1 TYR 63 HD1 TYR 63 -7.512 -5.572 -0.825 514 HD2 TYR 63 HD2 TYR 63 -9.306 -1.715 -0.282 515 HE1 TYR 63 HE1 TYR 63 -8.424 -5.677 -3.126 516 HE2 TYR 63 HE2 TYR 63 -10.263 -1.823 -2.562 517 HH TYR 63 HH TYR 63 -9.721 -4.616 -4.723 518 H VAL 64 H VAL 64 -7.298 -0.118 1.779 519 HA VAL 64 HA VAL 64 -7.115 -0.209 4.734 520 HB VAL 64 HB VAL 64 -7.134 2.161 2.828 521 1HG1 VAL 64 1HG1 VAL 64 -7.981 2.741 5.069 522 2HG1 VAL 64 2HG1 VAL 64 -6.596 1.927 5.828 523 3HG1 VAL 64 3HG1 VAL 64 -6.351 3.389 4.851 524 1HG2 VAL 64 1HG2 VAL 64 -4.817 0.812 4.286 525 2HG2 VAL 64 2HG2 VAL 64 -5.060 0.888 2.524 526 3HG2 VAL 64 3HG2 VAL 64 -4.724 2.365 3.431 527 H TYR 65 H TYR 65 -8.949 0.020 5.897 528 HA TYR 65 HA TYR 65 -11.518 0.675 4.563 529 1HB TYR 65 1HB TYR 65 -11.157 -1.421 6.035 530 2HB TYR 65 2HB TYR 65 -11.070 -0.313 7.397 531 HD1 TYR 65 HD1 TYR 65 -13.117 -0.372 8.614 532 HD2 TYR 65 HD2 TYR 65 -13.233 -0.802 4.325 533 HE1 TYR 65 HE1 TYR 65 -15.582 -0.618 8.690 534 HE2 TYR 65 HE2 TYR 65 -15.692 -0.931 4.399 535 HH TYR 65 HH TYR 65 -17.495 -0.245 5.797 536 H ALA 66 H ALA 66 -12.150 2.725 4.680 537 HA ALA 66 HA ALA 66 -11.312 4.458 6.929 538 1HB ALA 66 1HB ALA 66 -9.589 4.763 5.169 539 2HB ALA 66 2HB ALA 66 -10.862 5.110 3.980 540 3HB ALA 66 3HB ALA 66 -10.597 6.214 5.345 541 H SER 67 H SER 67 -12.944 5.767 7.518 542 HA SER 67 HA SER 67 -15.121 6.421 7.745 543 1HB SER 67 1HB SER 67 -14.060 7.954 5.929 544 2HB SER 67 2HB SER 67 -15.070 7.065 4.776 545 HG SER 67 HG SER 67 -15.964 8.491 7.087 546 H ASP 68 H ASP 68 -14.971 3.768 7.568 547 HA ASP 68 HA ASP 68 -15.916 1.845 7.131 548 1HB ASP 68 1HB ASP 68 -18.304 1.654 7.260 549 2HB ASP 68 2HB ASP 68 -17.720 2.878 8.379 550 H LYS 69 H LYS 69 -14.914 3.305 4.618 551 HA LYS 69 HA LYS 69 -16.318 1.579 2.621 552 1HB LYS 69 1HB LYS 69 -15.217 4.402 2.393 553 2HB LYS 69 2HB LYS 69 -15.182 3.298 1.021 554 1HG LYS 69 1HG LYS 69 -17.123 4.605 0.755 555 2HG LYS 69 2HG LYS 69 -17.658 2.980 1.213 556 1HD LYS 69 1HD LYS 69 -17.954 3.776 3.558 557 2HD LYS 69 2HD LYS 69 -17.398 5.389 3.078 558 1HE LYS 69 1HE LYS 69 -19.359 5.620 1.596 559 2HE LYS 69 2HE LYS 69 -19.864 3.961 1.987 560 1HZ LYS 69 1HZ LYS 69 -20.064 4.624 4.272 561 2HZ LYS 69 2HZ LYS 69 -19.635 6.171 3.904 562 3HZ LYS 69 3HZ LYS 69 -21.041 5.544 3.307 563 H LEU 70 H LEU 70 -14.879 0.584 1.113 564 HA LEU 70 HA LEU 70 -12.218 0.054 2.297 565 1HB LEU 70 1HB LEU 70 -14.015 -1.758 1.759 566 2HB LEU 70 2HB LEU 70 -13.611 -1.446 0.070 567 HG LEU 70 HG LEU 70 -11.187 -1.905 0.724 568 1HD1 LEU 70 1HD1 LEU 70 -11.322 -1.774 3.169 569 2HD1 LEU 70 2HD1 LEU 70 -12.549 -3.063 3.192 570 3HD1 LEU 70 3HD1 LEU 70 -10.885 -3.410 2.693 571 1HD2 LEU 70 1HD2 LEU 70 -13.233 -4.154 0.927 572 2HD2 LEU 70 2HD2 LEU 70 -12.568 -3.480 -0.577 573 3HD2 LEU 70 3HD2 LEU 70 -11.509 -4.359 0.539 574 H PHE 71 H PHE 71 -10.425 0.862 1.333 575 HA PHE 71 HA PHE 71 -10.528 1.828 -1.495 576 1HB PHE 71 1HB PHE 71 -9.214 3.095 0.944 577 2HB PHE 71 2HB PHE 71 -8.877 3.551 -0.718 578 HD1 PHE 71 HD1 PHE 71 -11.503 3.569 1.935 579 HD2 PHE 71 HD2 PHE 71 -10.307 5.015 -1.950 580 HE1 PHE 71 HE1 PHE 71 -13.106 5.447 2.136 581 HE2 PHE 71 HE2 PHE 71 -11.906 6.896 -1.741 582 HZ PHE 71 HZ PHE 71 -13.322 7.109 0.295 583 H ARG 72 H ARG 72 -8.705 1.277 -2.671 584 HA ARG 72 HA ARG 72 -6.785 -0.607 -1.393 585 1HB ARG 72 1HB ARG 72 -7.755 -1.357 -3.485 586 2HB ARG 72 2HB ARG 72 -7.232 0.107 -4.317 587 1HG ARG 72 1HG ARG 72 -5.132 -1.494 -2.852 588 2HG ARG 72 2HG ARG 72 -5.819 -2.222 -4.298 589 1HD ARG 72 1HD ARG 72 -4.763 0.638 -4.377 590 2HD ARG 72 2HD ARG 72 -3.714 -0.760 -4.573 591 HE ARG 72 HE ARG 72 -6.054 -0.918 -6.267 592 1HH1 ARG 72 1HH1 ARG 72 -2.943 0.719 -5.965 593 2HH1 ARG 72 2HH1 ARG 72 -2.724 0.929 -7.680 594 1HH2 ARG 72 1HH2 ARG 72 -5.811 -0.600 -8.514 595 2HH2 ARG 72 2HH2 ARG 72 -4.411 0.218 -9.148 596 H ALA 73 H ALA 73 -4.681 0.042 -1.025 597 HA ALA 73 HA ALA 73 -3.741 2.606 -2.224 598 1HB ALA 73 1HB ALA 73 -4.244 2.978 0.188 599 2HB ALA 73 2HB ALA 73 -3.149 1.647 0.604 600 3HB ALA 73 3HB ALA 73 -2.512 3.102 -0.188 601 H ASP 74 H ASP 74 -1.730 2.437 -3.121 602 HA ASP 74 HA ASP 74 -0.141 -0.034 -2.614 603 1HB ASP 74 1HB ASP 74 -0.907 -0.060 -4.912 604 2HB ASP 74 2HB ASP 74 -0.254 1.575 -5.165 605 H ILE 75 H ILE 75 1.469 0.438 -1.416 606 HA ILE 75 HA ILE 75 2.569 3.200 -1.227 607 HB ILE 75 HB ILE 75 3.114 0.845 0.610 608 1HG1 ILE 75 1HG1 ILE 75 0.728 1.005 0.717 609 2HG1 ILE 75 2HG1 ILE 75 1.424 1.667 2.187 610 1HG2 ILE 75 1HG2 ILE 75 4.650 2.715 0.803 611 2HG2 ILE 75 2HG2 ILE 75 3.310 3.850 1.039 612 3HG2 ILE 75 3HG2 ILE 75 3.649 2.602 2.255 613 1HD1 ILE 75 1HD1 ILE 75 1.026 3.966 1.381 614 2HD1 ILE 75 2HD1 ILE 75 0.387 3.333 -0.152 615 3HD1 ILE 75 3HD1 ILE 75 -0.464 2.998 1.359 616 H SER 76 H SER 76 4.852 3.449 -1.587 617 HA SER 76 HA SER 76 6.265 1.039 -2.676 618 1HB SER 76 1HB SER 76 6.572 3.928 -3.554 619 2HB SER 76 2HB SER 76 7.457 2.521 -4.184 620 HG SER 76 HG SER 76 5.798 2.164 -5.435 621 H GLU 77 H GLU 77 8.333 0.772 -1.977 622 HA GLU 77 HA GLU 77 9.543 2.638 0.035 623 1HB GLU 77 1HB GLU 77 8.963 0.410 0.970 624 2HB GLU 77 2HB GLU 77 9.860 -0.358 -0.346 625 1HG GLU 77 1HG GLU 77 11.967 0.696 0.465 626 2HG GLU 77 2HG GLU 77 11.064 1.531 1.737 627 H ASP 78 H ASP 78 11.410 3.550 -0.671 628 HA ASP 78 HA ASP 78 12.583 2.550 -3.239 629 1HB ASP 78 1HB ASP 78 12.112 4.950 -3.124 630 2HB ASP 78 2HB ASP 78 13.147 5.094 -1.698 631 H TYR 79 H TYR 79 14.358 1.314 -3.161 632 HA TYR 79 HA TYR 79 15.300 0.174 -0.758 633 1HB TYR 79 1HB TYR 79 15.396 -0.932 -2.943 634 2HB TYR 79 2HB TYR 79 16.520 0.287 -3.546 635 HD1 TYR 79 HD1 TYR 79 18.876 0.024 -3.248 636 HD2 TYR 79 HD2 TYR 79 16.140 -2.398 -0.963 637 HE1 TYR 79 HE1 TYR 79 20.780 -1.215 -2.278 638 HE2 TYR 79 HE2 TYR 79 18.043 -3.701 -0.065 639 HH TYR 79 HH TYR 79 21.429 -2.866 -0.787 640 H LYS 80 H LYS 80 16.598 2.866 -2.726 641 HA LYS 80 HA LYS 80 19.118 2.957 -1.281 642 1HB LYS 80 1HB LYS 80 18.817 3.645 -3.646 643 2HB LYS 80 2HB LYS 80 17.848 5.031 -3.115 644 1HG LYS 80 1HG LYS 80 19.786 5.853 -1.776 645 2HG LYS 80 2HG LYS 80 20.765 4.504 -2.365 646 1HD LYS 80 1HD LYS 80 19.432 6.603 -4.148 647 2HD LYS 80 2HD LYS 80 21.102 6.699 -3.569 648 1HE LYS 80 1HE LYS 80 21.655 4.577 -4.722 649 2HE LYS 80 2HE LYS 80 19.994 4.467 -5.341 650 1HZ LYS 80 1HZ LYS 80 20.328 6.503 -6.496 651 2HZ LYS 80 2HZ LYS 80 21.871 6.635 -5.926 652 3HZ LYS 80 3HZ LYS 80 21.468 5.397 -6.937 653 H THR 81 H THR 81 16.093 4.954 -1.335 654 HA THR 81 HA THR 81 16.968 6.723 0.691 655 HB THR 81 HB THR 81 14.065 6.058 0.149 656 HG1 THR 81 HG1 THR 81 14.344 7.535 -1.661 657 1HG2 THR 81 1HG2 THR 81 14.566 7.827 1.821 658 2HG2 THR 81 2HG2 THR 81 15.537 8.691 0.611 659 3HG2 THR 81 3HG2 THR 81 13.786 8.499 0.380 660 H ARG 82 H ARG 82 15.404 3.535 0.851 661 HA ARG 82 HA ARG 82 14.553 2.290 2.490 662 1HB ARG 82 1HB ARG 82 16.328 3.871 4.420 663 2HB ARG 82 2HB ARG 82 15.631 2.277 4.670 664 1HG ARG 82 1HG ARG 82 17.689 2.839 2.493 665 2HG ARG 82 2HG ARG 82 18.111 2.404 4.150 666 1HD ARG 82 1HD ARG 82 16.840 0.296 3.962 667 2HD ARG 82 2HD ARG 82 16.442 0.700 2.270 668 HE ARG 82 HE ARG 82 19.223 0.909 2.529 669 1HH1 ARG 82 1HH1 ARG 82 16.755 -1.597 2.660 670 2HH1 ARG 82 2HH1 ARG 82 17.790 -2.859 2.040 671 1HH2 ARG 82 1HH2 ARG 82 20.596 -0.697 1.743 672 2HH2 ARG 82 2HH2 ARG 82 20.012 -2.298 1.380 673 H GLY 83 H GLY 83 13.067 4.392 1.667 674 1HA GLY 83 1HA GLY 83 11.458 5.074 4.059 675 2HA GLY 83 2HA GLY 83 12.018 6.395 3.005 676 H ARG 84 H ARG 84 9.243 5.600 3.412 677 HA ARG 84 HA ARG 84 8.579 4.441 0.787 678 1HB ARG 84 1HB ARG 84 6.923 4.389 3.315 679 2HB ARG 84 2HB ARG 84 6.552 3.566 1.803 680 1HG ARG 84 1HG ARG 84 8.786 2.313 2.122 681 2HG ARG 84 2HG ARG 84 8.727 2.854 3.795 682 1HD ARG 84 1HD ARG 84 6.531 1.713 4.082 683 2HD ARG 84 2HD ARG 84 6.482 1.337 2.363 684 HE ARG 84 HE ARG 84 7.713 -0.504 2.691 685 1HH1 ARG 84 1HH1 ARG 84 8.278 1.607 5.451 686 2HH1 ARG 84 2HH1 ARG 84 9.280 0.467 6.309 687 1HH2 ARG 84 1HH2 ARG 84 8.928 -2.066 3.829 688 2HH2 ARG 84 2HH2 ARG 84 9.657 -1.657 5.357 689 H LYS 85 H LYS 85 6.346 4.941 0.145 690 HA LYS 85 HA LYS 85 5.266 7.560 0.690 691 1HB LYS 85 1HB LYS 85 5.725 8.494 -1.546 692 2HB LYS 85 2HB LYS 85 7.220 8.134 -0.671 693 1HG LYS 85 1HG LYS 85 6.981 5.782 -1.980 694 2HG LYS 85 2HG LYS 85 6.035 6.772 -3.094 695 1HD LYS 85 1HD LYS 85 8.893 7.274 -2.134 696 2HD LYS 85 2HD LYS 85 8.435 6.587 -3.700 697 1HE LYS 85 1HE LYS 85 7.250 8.706 -4.287 698 2HE LYS 85 2HE LYS 85 7.733 9.408 -2.733 699 1HZ LYS 85 1HZ LYS 85 10.010 9.150 -3.382 700 2HZ LYS 85 2HZ LYS 85 9.568 8.511 -4.837 701 3HZ LYS 85 3HZ LYS 85 9.189 10.074 -4.473 702 H LEU 86 H LEU 86 3.173 7.897 -0.295 703 HA LEU 86 HA LEU 86 1.763 5.498 -1.104 704 1HB LEU 86 1HB LEU 86 0.712 7.401 0.086 705 2HB LEU 86 2HB LEU 86 1.103 8.458 -1.280 706 HG LEU 86 HG LEU 86 -0.438 7.253 -2.745 707 1HD1 LEU 86 1HD1 LEU 86 -0.366 4.986 -1.906 708 2HD1 LEU 86 2HD1 LEU 86 -0.892 5.504 -0.292 709 3HD1 LEU 86 3HD1 LEU 86 -2.013 5.567 -1.665 710 1HD2 LEU 86 1HD2 LEU 86 -1.681 8.007 -0.061 711 2HD2 LEU 86 2HD2 LEU 86 -1.194 9.156 -1.324 712 3HD2 LEU 86 3HD2 LEU 86 -2.499 8.006 -1.635 713 H LEU 87 H LEU 87 1.482 4.745 -3.238 714 HA LEU 87 HA LEU 87 2.638 6.403 -5.438 715 1HB LEU 87 1HB LEU 87 3.504 4.045 -4.896 716 2HB LEU 87 2HB LEU 87 1.991 3.443 -5.545 717 HG LEU 87 HG LEU 87 2.555 4.904 -7.653 718 1HD1 LEU 87 1HD1 LEU 87 4.470 6.158 -6.671 719 2HD1 LEU 87 2HD1 LEU 87 5.333 4.631 -6.416 720 3HD1 LEU 87 3HD1 LEU 87 4.975 5.189 -8.059 721 1HD2 LEU 87 1HD2 LEU 87 4.145 2.402 -6.967 722 2HD2 LEU 87 2HD2 LEU 87 2.527 2.458 -7.685 723 3HD2 LEU 87 3HD2 LEU 87 3.917 3.060 -8.601 724 H ARG 88 H ARG 88 0.007 4.032 -4.904 725 HA ARG 88 HA ARG 88 -1.828 5.701 -6.607 726 1HB ARG 88 1HB ARG 88 -1.347 2.710 -6.671 727 2HB ARG 88 2HB ARG 88 -2.964 3.347 -6.914 728 1HG ARG 88 1HG ARG 88 -2.011 2.893 -9.014 729 2HG ARG 88 2HG ARG 88 -2.268 4.630 -8.866 730 1HD ARG 88 1HD ARG 88 0.435 3.516 -8.132 731 2HD ARG 88 2HD ARG 88 0.018 3.525 -9.834 732 HE ARG 88 HE ARG 88 0.289 5.874 -8.027 733 1HH1 ARG 88 1HH1 ARG 88 -0.381 4.792 -11.337 734 2HH1 ARG 88 2HH1 ARG 88 -0.019 6.345 -12.036 735 1HH2 ARG 88 1HH2 ARG 88 0.735 7.830 -8.900 736 2HH2 ARG 88 2HH2 ARG 88 0.615 8.129 -10.617 737 H PHE 89 H PHE 89 -3.922 5.847 -5.819 738 HA PHE 89 HA PHE 89 -4.717 4.332 -3.430 739 1HB PHE 89 1HB PHE 89 -3.901 6.533 -2.609 740 2HB PHE 89 2HB PHE 89 -4.981 7.355 -3.729 741 HD1 PHE 89 HD1 PHE 89 -7.342 7.599 -3.222 742 HD2 PHE 89 HD2 PHE 89 -4.825 5.162 -0.715 743 HE1 PHE 89 HE1 PHE 89 -9.120 7.539 -1.496 744 HE2 PHE 89 HE2 PHE 89 -6.619 5.077 1.001 745 HZ PHE 89 HZ PHE 89 -8.768 6.265 0.611 746 H ASN 90 H ASN 90 -6.797 3.536 -3.850 747 HA ASN 90 HA ASN 90 -8.418 4.784 -5.996 748 1HB ASN 90 1HB ASN 90 -7.382 1.922 -5.876 749 2HB ASN 90 2HB ASN 90 -8.674 2.461 -6.930 750 1HD2 ASN 90 1HD2 ASN 90 -8.179 3.908 -8.737 751 2HD2 ASN 90 2HD2 ASN 90 -6.521 4.062 -9.287 752 H GLY 91 H GLY 91 -10.572 4.087 -5.931 753 1HA GLY 91 1HA GLY 91 -12.225 2.543 -4.803 754 2HA GLY 91 2HA GLY 91 -11.490 3.081 -3.280 755 HA PRO 92 HA PRO 92 -13.253 3.275 -1.953 756 1HB PRO 92 1HB PRO 92 -15.899 3.534 -1.394 757 2HB PRO 92 2HB PRO 92 -14.667 4.701 -0.841 758 1HG PRO 92 1HG PRO 92 -16.463 4.915 -3.278 759 2HG PRO 92 2HG PRO 92 -16.187 6.156 -2.018 760 1HD PRO 92 1HD PRO 92 -14.830 6.164 -4.395 761 2HD PRO 92 2HD PRO 92 -14.030 6.652 -2.878 762 H VAL 93 H VAL 93 -14.198 1.149 -1.943 763 HA VAL 93 HA VAL 93 -16.034 0.428 -4.142 764 HB VAL 93 HB VAL 93 -14.721 -1.780 -4.335 765 1HG1 VAL 93 1HG1 VAL 93 -14.823 -0.111 -6.139 766 2HG1 VAL 93 2HG1 VAL 93 -13.418 0.726 -5.452 767 3HG1 VAL 93 3HG1 VAL 93 -13.250 -0.925 -6.073 768 1HG2 VAL 93 1HG2 VAL 93 -12.409 -0.114 -3.261 769 2HG2 VAL 93 2HG2 VAL 93 -13.211 -1.437 -2.382 770 3HG2 VAL 93 3HG2 VAL 93 -12.354 -1.767 -3.895 771 HA PRO 94 HA PRO 94 -17.803 -1.882 -0.729 772 1HB PRO 94 1HB PRO 94 -19.311 -3.756 -2.027 773 2HB PRO 94 2HB PRO 94 -19.728 -2.017 -2.078 774 1HG PRO 94 1HG PRO 94 -18.168 -3.608 -4.137 775 2HG PRO 94 2HG PRO 94 -19.572 -2.539 -4.424 776 1HD PRO 94 1HD PRO 94 -17.000 -1.689 -4.747 777 2HD PRO 94 2HD PRO 94 -18.259 -0.596 -4.103 778 HA PRO 95 HA PRO 95 -15.092 -5.517 -0.560 779 1HB PRO 95 1HB PRO 95 -16.340 -7.112 1.284 780 2HB PRO 95 2HB PRO 95 -15.545 -5.575 1.738 781 1HG PRO 95 1HG PRO 95 -18.486 -6.034 1.155 782 2HG PRO 95 2HG PRO 95 -17.773 -5.220 2.580 783 1HD PRO 95 1HD PRO 95 -18.695 -3.833 0.414 784 2HD PRO 95 2HD PRO 95 -17.240 -3.288 1.302 785 HA PRO 96 HA PRO 96 -17.142 -8.309 -3.419 786 1HB PRO 96 1HB PRO 96 -15.793 -10.667 -3.082 787 2HB PRO 96 2HB PRO 96 -15.055 -9.229 -3.843 788 1HG PRO 96 1HG PRO 96 -14.815 -10.109 -0.950 789 2HG PRO 96 2HG PRO 96 -13.492 -9.662 -2.067 790 1HD PRO 96 1HD PRO 96 -14.523 -7.878 -0.295 791 2HD PRO 96 2HD PRO 96 -14.069 -7.351 -1.943 Start of MODEL 4 1 1H GLY 1 1H GLY 1 11.642 -11.196 -6.959 2 2H GLY 1 2H GLY 1 11.266 -9.778 -6.194 3 3H GLY 1 3H GLY 1 11.934 -9.755 -7.709 4 1HA GLY 1 1HA GLY 1 9.561 -9.265 -7.735 5 2HA GLY 1 2HA GLY 1 10.022 -10.688 -8.688 6 H GLU 2 H GLU 2 9.680 -10.326 -5.129 7 HA GLU 2 HA GLU 2 8.287 -12.937 -5.122 8 1HB GLU 2 1HB GLU 2 9.393 -11.233 -2.866 9 2HB GLU 2 2HB GLU 2 8.658 -12.836 -2.699 10 1HG GLU 2 1HG GLU 2 10.382 -13.787 -4.232 11 2HG GLU 2 2HG GLU 2 11.163 -12.201 -4.331 12 H TRP 3 H TRP 3 6.209 -12.379 -5.942 13 HA TRP 3 HA TRP 3 4.430 -10.579 -4.582 14 1HB TRP 3 1HB TRP 3 4.070 -12.925 -6.422 15 2HB TRP 3 2HB TRP 3 2.708 -12.424 -5.439 16 HD1 TRP 3 HD1 TRP 3 3.666 -11.956 -8.754 17 HE1 TRP 3 HE1 TRP 3 2.833 -9.774 -9.774 18 HE3 TRP 3 HE3 TRP 3 2.383 -9.485 -4.451 19 HZ2 TRP 3 HZ2 TRP 3 1.802 -7.228 -8.845 20 HZ3 TRP 3 HZ3 TRP 3 1.583 -7.152 -4.546 21 HH2 TRP 3 HH2 TRP 3 1.267 -6.017 -6.735 22 H GLU 4 H GLU 4 4.008 -10.725 -2.399 23 HA GLU 4 HA GLU 4 3.184 -13.361 -1.312 24 1HB GLU 4 1HB GLU 4 5.633 -13.173 -0.967 25 2HB GLU 4 2HB GLU 4 5.382 -11.664 -0.061 26 1HG GLU 4 1HG GLU 4 4.180 -12.924 1.687 27 2HG GLU 4 2HG GLU 4 4.277 -14.407 0.714 28 H ILE 5 H ILE 5 2.068 -13.137 0.737 29 HA ILE 5 HA ILE 5 0.552 -10.605 0.891 30 HB ILE 5 HB ILE 5 0.079 -13.105 2.505 31 1HG1 ILE 5 1HG1 ILE 5 -1.932 -13.246 0.705 32 2HG1 ILE 5 2HG1 ILE 5 -0.716 -12.530 -0.349 33 1HG2 ILE 5 1HG2 ILE 5 -1.009 -11.020 3.297 34 2HG2 ILE 5 2HG2 ILE 5 -1.782 -10.839 1.709 35 3HG2 ILE 5 3HG2 ILE 5 -2.182 -12.216 2.754 36 1HD1 ILE 5 1HD1 ILE 5 0.776 -14.501 0.124 37 2HD1 ILE 5 2HD1 ILE 5 -0.436 -15.115 1.268 38 3HD1 ILE 5 3HD1 ILE 5 -0.809 -15.013 -0.461 39 H ILE 6 H ILE 6 0.699 -9.276 2.755 40 HA ILE 6 HA ILE 6 2.809 -9.997 4.745 41 HB ILE 6 HB ILE 6 2.854 -7.654 5.318 42 1HG1 ILE 6 1HG1 ILE 6 1.198 -7.090 2.826 43 2HG1 ILE 6 2HG1 ILE 6 0.566 -7.019 4.482 44 1HG2 ILE 6 1HG2 ILE 6 4.444 -8.695 3.698 45 2HG2 ILE 6 2HG2 ILE 6 3.405 -8.153 2.365 46 3HG2 ILE 6 3HG2 ILE 6 4.229 -6.969 3.401 47 1HD1 ILE 6 1HD1 ILE 6 2.268 -5.279 5.031 48 2HD1 ILE 6 2HD1 ILE 6 2.763 -5.265 3.322 49 3HD1 ILE 6 3HD1 ILE 6 1.120 -4.793 3.767 50 H ASP 7 H ASP 7 2.380 -9.670 6.945 51 HA ASP 7 HA ASP 7 -0.263 -10.499 7.763 52 1HB ASP 7 1HB ASP 7 2.149 -9.563 9.386 53 2HB ASP 7 2HB ASP 7 0.695 -10.321 10.042 54 H ILE 8 H ILE 8 -1.928 -9.146 8.329 55 HA ILE 8 HA ILE 8 -1.563 -6.267 8.493 56 HB ILE 8 HB ILE 8 -4.032 -6.738 9.498 57 1HG1 ILE 8 1HG1 ILE 8 -5.227 -8.322 8.083 58 2HG1 ILE 8 2HG1 ILE 8 -3.718 -8.985 7.471 59 1HG2 ILE 8 1HG2 ILE 8 -3.444 -5.205 7.682 60 2HG2 ILE 8 2HG2 ILE 8 -3.191 -6.585 6.589 61 3HG2 ILE 8 3HG2 ILE 8 -4.819 -6.199 7.185 62 1HD1 ILE 8 1HD1 ILE 8 -4.633 -8.978 10.395 63 2HD1 ILE 8 2HD1 ILE 8 -4.771 -10.348 9.279 64 3HD1 ILE 8 3HD1 ILE 8 -3.175 -9.789 9.787 65 H GLY 9 H GLY 9 -1.208 -5.094 10.329 66 1HA GLY 9 1HA GLY 9 -1.662 -5.896 13.003 67 2HA GLY 9 2HA GLY 9 -0.005 -6.329 12.499 68 HA PRO 10 HA PRO 10 -0.479 -1.840 13.944 69 1HB PRO 10 1HB PRO 10 2.010 -1.676 15.225 70 2HB PRO 10 2HB PRO 10 0.447 -2.100 15.971 71 1HG PRO 10 1HG PRO 10 2.583 -3.976 14.950 72 2HG PRO 10 2HG PRO 10 1.662 -4.077 16.479 73 1HD PRO 10 1HD PRO 10 0.968 -5.585 14.370 74 2HD PRO 10 2HD PRO 10 -0.315 -4.788 15.325 75 H PHE 11 H PHE 11 2.542 -3.299 12.638 76 HA PHE 11 HA PHE 11 3.667 -1.094 11.376 77 1HB PHE 11 1HB PHE 11 4.771 -3.248 11.483 78 2HB PHE 11 2HB PHE 11 3.502 -4.014 10.537 79 HD1 PHE 11 HD1 PHE 11 6.340 -1.602 10.369 80 HD2 PHE 11 HD2 PHE 11 3.504 -3.965 8.126 81 HE1 PHE 11 HE1 PHE 11 7.617 -1.173 8.287 82 HE2 PHE 11 HE2 PHE 11 4.792 -3.537 6.058 83 HZ PHE 11 HZ PHE 11 6.851 -2.142 6.131 84 H THR 12 H THR 12 1.345 -3.442 9.908 85 HA THR 12 HA THR 12 1.104 -2.131 7.457 86 HB THR 12 HB THR 12 -1.024 -3.879 8.638 87 HG1 THR 12 HG1 THR 12 0.563 -5.648 8.213 88 1HG2 THR 12 1HG2 THR 12 -1.180 -3.226 6.272 89 2HG2 THR 12 2HG2 THR 12 0.447 -3.863 5.967 90 3HG2 THR 12 3HG2 THR 12 -0.873 -4.968 6.403 91 H GLN 13 H GLN 13 -0.806 -1.952 10.478 92 HA GLN 13 HA GLN 13 -2.861 -0.251 9.514 93 1HB GLN 13 1HB GLN 13 -1.650 -0.748 12.255 94 2HB GLN 13 2HB GLN 13 -2.991 0.357 11.988 95 1HG GLN 13 1HG GLN 13 -4.368 -1.438 11.033 96 2HG GLN 13 2HG GLN 13 -3.032 -2.580 11.170 97 1HE2 GLN 13 1HE2 GLN 13 -5.729 -1.171 12.841 98 2HE2 GLN 13 2HE2 GLN 13 -5.389 -1.910 14.390 99 H ASN 14 H ASN 14 0.363 0.471 10.989 100 HA ASN 14 HA ASN 14 0.125 3.281 10.901 101 1HB ASN 14 1HB ASN 14 1.920 2.098 12.103 102 2HB ASN 14 2HB ASN 14 2.633 1.586 10.572 103 1HD2 ASN 14 1HD2 ASN 14 4.603 2.684 10.686 104 2HD2 ASN 14 2HD2 ASN 14 4.691 4.436 10.728 105 H LEU 15 H LEU 15 1.390 0.993 8.414 106 HA LEU 15 HA LEU 15 1.910 3.016 6.442 107 1HB LEU 15 1HB LEU 15 1.098 0.114 6.022 108 2HB LEU 15 2HB LEU 15 1.639 1.221 4.761 109 HG LEU 15 HG LEU 15 3.296 0.178 7.092 110 1HD1 LEU 15 1HD1 LEU 15 2.970 -1.353 5.176 111 2HD1 LEU 15 2HD1 LEU 15 3.518 -0.087 4.056 112 3HD1 LEU 15 3HD1 LEU 15 4.646 -0.771 5.238 113 1HD2 LEU 15 1HD2 LEU 15 3.998 2.286 5.000 114 2HD2 LEU 15 2HD2 LEU 15 4.015 2.491 6.769 115 3HD2 LEU 15 3HD2 LEU 15 5.186 1.422 6.005 116 H GLY 16 H GLY 16 -1.084 1.254 7.223 117 1HA GLY 16 1HA GLY 16 -2.721 2.269 5.125 118 2HA GLY 16 2HA GLY 16 -3.265 1.746 6.730 119 H LYS 17 H LYS 17 -2.568 3.394 8.574 120 HA LYS 17 HA LYS 17 -3.780 5.772 8.368 121 1HB LYS 17 1HB LYS 17 -2.238 4.483 10.272 122 2HB LYS 17 2HB LYS 17 -1.153 5.796 9.875 123 1HG LYS 17 1HG LYS 17 -3.981 5.982 10.973 124 2HG LYS 17 2HG LYS 17 -2.465 6.455 11.756 125 1HD LYS 17 1HD LYS 17 -2.138 8.127 9.873 126 2HD LYS 17 2HD LYS 17 -3.792 7.755 9.338 127 1HE LYS 17 1HE LYS 17 -4.669 8.429 11.574 128 2HE LYS 17 2HE LYS 17 -3.027 8.877 12.072 129 1HZ LYS 17 1HZ LYS 17 -2.997 10.488 10.313 130 2HZ LYS 17 2HZ LYS 17 -4.517 10.066 9.837 131 3HZ LYS 17 3HZ LYS 17 -4.278 10.754 11.315 132 H PHE 18 H PHE 18 -0.347 5.285 7.664 133 HA PHE 18 HA PHE 18 0.300 7.938 6.903 134 1HB PHE 18 1HB PHE 18 2.122 6.442 7.231 135 2HB PHE 18 2HB PHE 18 1.448 5.247 6.143 136 HD1 PHE 18 HD1 PHE 18 2.896 8.720 6.112 137 HD2 PHE 18 HD2 PHE 18 2.084 5.126 3.865 138 HE1 PHE 18 HE1 PHE 18 4.263 9.578 4.226 139 HE2 PHE 18 HE2 PHE 18 3.458 5.993 1.993 140 HZ PHE 18 HZ PHE 18 4.601 8.198 2.191 141 H ALA 19 H ALA 19 -0.850 5.252 4.853 142 HA ALA 19 HA ALA 19 -0.829 6.697 2.407 143 1HB ALA 19 1HB ALA 19 -1.128 4.269 2.503 144 2HB ALA 19 2HB ALA 19 -2.718 4.463 3.270 145 3HB ALA 19 3HB ALA 19 -2.462 5.035 1.613 146 H VAL 20 H VAL 20 -3.410 6.304 4.847 147 HA VAL 20 HA VAL 20 -5.297 7.965 3.425 148 HB VAL 20 HB VAL 20 -5.133 7.190 6.358 149 1HG1 VAL 20 1HG1 VAL 20 -7.364 8.573 4.793 150 2HG1 VAL 20 2HG1 VAL 20 -7.587 7.814 6.378 151 3HG1 VAL 20 3HG1 VAL 20 -6.513 9.207 6.218 152 1HG2 VAL 20 1HG2 VAL 20 -6.844 6.167 4.038 153 2HG2 VAL 20 2HG2 VAL 20 -5.471 5.307 4.749 154 3HG2 VAL 20 3HG2 VAL 20 -6.927 5.593 5.715 155 H ASP 21 H ASP 21 -2.797 8.693 5.875 156 HA ASP 21 HA ASP 21 -3.577 11.363 6.390 157 1HB ASP 21 1HB ASP 21 -2.130 10.161 7.891 158 2HB ASP 21 2HB ASP 21 -0.911 9.907 6.641 159 H GLU 22 H GLU 22 -1.174 9.979 4.151 160 HA GLU 22 HA GLU 22 -0.293 12.434 3.017 161 1HB GLU 22 1HB GLU 22 0.882 10.216 2.961 162 2HB GLU 22 2HB GLU 22 -0.278 9.640 1.761 163 1HG GLU 22 1HG GLU 22 0.549 11.182 0.115 164 2HG GLU 22 2HG GLU 22 1.354 12.178 1.337 165 H GLU 23 H GLU 23 -2.777 10.042 1.986 166 HA GLU 23 HA GLU 23 -3.620 11.382 -0.344 167 1HB GLU 23 1HB GLU 23 -4.188 9.051 0.389 168 2HB GLU 23 2HB GLU 23 -5.351 9.714 1.543 169 1HG GLU 23 1HG GLU 23 -5.404 10.302 -1.459 170 2HG GLU 23 2HG GLU 23 -6.204 8.919 -0.713 171 H ASN 24 H ASN 24 -4.836 11.672 3.042 172 HA ASN 24 HA ASN 24 -6.808 13.656 2.615 173 1HB ASN 24 1HB ASN 24 -5.135 12.661 4.941 174 2HB ASN 24 2HB ASN 24 -5.876 14.227 5.075 175 1HD2 ASN 24 1HD2 ASN 24 -7.001 13.312 6.906 176 2HD2 ASN 24 2HD2 ASN 24 -8.495 12.442 6.619 177 H LYS 25 H LYS 25 -3.280 13.907 3.295 178 HA LYS 25 HA LYS 25 -3.241 16.713 3.575 179 1HB LYS 25 1HB LYS 25 -1.435 15.086 4.193 180 2HB LYS 25 2HB LYS 25 -0.986 14.982 2.481 181 1HG LYS 25 1HG LYS 25 -0.477 17.395 2.456 182 2HG LYS 25 2HG LYS 25 -1.055 17.551 4.127 183 1HD LYS 25 1HD LYS 25 0.705 15.969 4.890 184 2HD LYS 25 2HD LYS 25 1.301 15.830 3.224 185 1HE LYS 25 1HE LYS 25 1.818 18.257 3.198 186 2HE LYS 25 2HE LYS 25 1.177 18.422 4.846 187 1HZ LYS 25 1HZ LYS 25 2.882 16.935 5.597 188 2HZ LYS 25 2HZ LYS 25 3.481 16.776 4.069 189 3HZ LYS 25 3HZ LYS 25 3.545 18.235 4.832 190 H ILE 26 H ILE 26 -2.985 14.678 0.638 191 HA ILE 26 HA ILE 26 -2.759 16.941 -1.179 192 HB ILE 26 HB ILE 26 -3.698 14.086 -1.645 193 1HG1 ILE 26 1HG1 ILE 26 -1.033 15.431 -2.294 194 2HG1 ILE 26 2HG1 ILE 26 -1.299 14.424 -0.871 195 1HG2 ILE 26 1HG2 ILE 26 -4.595 15.611 -3.391 196 2HG2 ILE 26 2HG2 ILE 26 -2.967 16.263 -3.656 197 3HG2 ILE 26 3HG2 ILE 26 -3.344 14.575 -4.053 198 1HD1 ILE 26 1HD1 ILE 26 -1.934 12.512 -2.352 199 2HD1 ILE 26 2HD1 ILE 26 -1.434 13.488 -3.755 200 3HD1 ILE 26 3HD1 ILE 26 -0.253 13.058 -2.512 201 H GLY 27 H GLY 27 -5.484 14.983 0.072 202 1HA GLY 27 1HA GLY 27 -7.615 15.664 0.549 203 2HA GLY 27 2HA GLY 27 -7.376 17.198 -0.289 204 H GLN 28 H GLN 28 -6.429 14.254 -1.928 205 HA GLN 28 HA GLN 28 -7.853 14.957 -4.236 206 1HB GLN 28 1HB GLN 28 -5.823 13.495 -4.101 207 2HB GLN 28 2HB GLN 28 -6.845 12.174 -3.504 208 1HG GLN 28 1HG GLN 28 -8.150 12.229 -5.609 209 2HG GLN 28 2HG GLN 28 -7.221 13.638 -6.153 210 1HE2 GLN 28 1HE2 GLN 28 -6.236 12.717 -7.988 211 2HE2 GLN 28 2HE2 GLN 28 -5.127 11.363 -7.867 212 H TYR 29 H TYR 29 -8.709 12.723 -1.634 213 HA TYR 29 HA TYR 29 -11.535 12.616 -2.677 214 1HB TYR 29 1HB TYR 29 -9.791 10.481 -1.475 215 2HB TYR 29 2HB TYR 29 -11.476 10.539 -0.999 216 HD1 TYR 29 HD1 TYR 29 -13.315 10.664 -2.737 217 HD2 TYR 29 HD2 TYR 29 -9.305 9.321 -3.564 218 HE1 TYR 29 HE1 TYR 29 -14.162 9.292 -4.621 219 HE2 TYR 29 HE2 TYR 29 -10.176 7.844 -5.362 220 HH TYR 29 HH TYR 29 -12.303 6.800 -6.096 221 H GLY 30 H GLY 30 -10.465 14.805 -1.315 222 1HA GLY 30 1HA GLY 30 -11.135 16.220 0.377 223 2HA GLY 30 2HA GLY 30 -12.457 15.095 0.737 224 H ARG 31 H ARG 31 -12.267 14.938 2.953 225 HA ARG 31 HA ARG 31 -9.601 14.292 4.142 226 1HB ARG 31 1HB ARG 31 -10.658 16.654 4.374 227 2HB ARG 31 2HB ARG 31 -11.762 15.902 5.530 228 1HG ARG 31 1HG ARG 31 -9.733 15.117 6.832 229 2HG ARG 31 2HG ARG 31 -8.710 15.927 5.621 230 1HD ARG 31 1HD ARG 31 -10.034 18.067 6.135 231 2HD ARG 31 2HD ARG 31 -10.684 17.206 7.550 232 HE ARG 31 HE ARG 31 -7.859 16.967 7.571 233 1HH1 ARG 31 1HH1 ARG 31 -10.327 19.465 7.913 234 2HH1 ARG 31 2HH1 ARG 31 -9.299 20.579 8.771 235 1HH2 ARG 31 1HH2 ARG 31 -6.481 18.420 8.674 236 2HH2 ARG 31 2HH2 ARG 31 -7.070 19.963 9.221 237 H LEU 32 H LEU 32 -9.890 12.067 4.278 238 HA LEU 32 HA LEU 32 -12.322 10.944 5.610 239 1HB LEU 32 1HB LEU 32 -9.850 9.581 4.495 240 2HB LEU 32 2HB LEU 32 -11.313 8.799 5.097 241 HG LEU 32 HG LEU 32 -12.275 10.625 3.166 242 1HD1 LEU 32 1HD1 LEU 32 -9.977 10.894 2.296 243 2HD1 LEU 32 2HD1 LEU 32 -9.821 9.127 2.141 244 3HD1 LEU 32 3HD1 LEU 32 -10.995 10.008 1.150 245 1HD2 LEU 32 1HD2 LEU 32 -11.748 7.643 2.902 246 2HD2 LEU 32 2HD2 LEU 32 -13.183 8.382 3.651 247 3HD2 LEU 32 3HD2 LEU 32 -12.871 8.608 1.922 248 H THR 33 H THR 33 -11.398 8.984 7.125 249 HA THR 33 HA THR 33 -9.168 9.911 8.828 250 HB THR 33 HB THR 33 -11.975 9.271 9.808 251 HG1 THR 33 HG1 THR 33 -10.757 11.556 9.099 252 1HG2 THR 33 1HG2 THR 33 -10.286 8.395 11.403 253 2HG2 THR 33 2HG2 THR 33 -9.446 9.964 11.385 254 3HG2 THR 33 3HG2 THR 33 -11.079 9.833 12.064 255 H PHE 34 H PHE 34 -7.865 8.183 9.120 256 HA PHE 34 HA PHE 34 -8.337 5.695 7.899 257 1HB PHE 34 1HB PHE 34 -6.140 6.374 8.343 258 2HB PHE 34 2HB PHE 34 -6.438 6.617 10.071 259 HD1 PHE 34 HD1 PHE 34 -6.238 4.794 11.643 260 HD2 PHE 34 HD2 PHE 34 -6.151 4.005 7.403 261 HE1 PHE 34 HE1 PHE 34 -5.192 2.593 12.074 262 HE2 PHE 34 HE2 PHE 34 -5.245 1.750 7.860 263 HZ PHE 34 HZ PHE 34 -4.603 1.108 10.170 264 H ASN 35 H ASN 35 -9.088 3.745 8.567 265 HA ASN 35 HA ASN 35 -10.302 3.574 11.307 266 1HB ASN 35 1HB ASN 35 -11.630 3.348 8.897 267 2HB ASN 35 2HB ASN 35 -11.236 1.669 9.234 268 1HD2 ASN 35 1HD2 ASN 35 -13.043 4.506 10.412 269 2HD2 ASN 35 2HD2 ASN 35 -13.994 3.598 11.560 270 H LYS 36 H LYS 36 -9.043 1.434 8.701 271 HA LYS 36 HA LYS 36 -6.956 0.331 10.279 272 1HB LYS 36 1HB LYS 36 -7.742 -1.976 10.596 273 2HB LYS 36 2HB LYS 36 -8.563 -0.824 11.616 274 1HG LYS 36 1HG LYS 36 -9.991 -1.284 9.061 275 2HG LYS 36 2HG LYS 36 -9.744 -2.766 9.993 276 1HD LYS 36 1HD LYS 36 -10.767 -1.773 11.976 277 2HD LYS 36 2HD LYS 36 -10.919 -0.213 11.159 278 1HE LYS 36 1HE LYS 36 -12.443 -1.248 9.474 279 2HE LYS 36 2HE LYS 36 -12.320 -2.800 10.333 280 1HZ LYS 36 1HZ LYS 36 -13.261 -1.713 12.252 281 2HZ LYS 36 2HZ LYS 36 -13.349 -0.280 11.435 282 3HZ LYS 36 3HZ LYS 36 -14.269 -1.566 10.954 283 H VAL 37 H VAL 37 -6.314 -1.972 9.107 284 HA VAL 37 HA VAL 37 -6.759 -1.721 6.178 285 HB VAL 37 HB VAL 37 -4.243 -2.706 7.600 286 1HG1 VAL 37 1HG1 VAL 37 -4.678 -3.942 5.521 287 2HG1 VAL 37 2HG1 VAL 37 -4.892 -2.418 4.635 288 3HG1 VAL 37 3HG1 VAL 37 -3.309 -2.853 5.304 289 1HG2 VAL 37 1HG2 VAL 37 -4.746 -0.181 5.971 290 2HG2 VAL 37 2HG2 VAL 37 -4.293 -0.285 7.690 291 3HG2 VAL 37 3HG2 VAL 37 -3.140 -0.772 6.442 292 H ILE 38 H ILE 38 -7.274 -3.707 5.184 293 HA ILE 38 HA ILE 38 -7.169 -6.126 6.857 294 HB ILE 38 HB ILE 38 -9.447 -6.833 6.237 295 1HG1 ILE 38 1HG1 ILE 38 -11.138 -5.028 5.808 296 2HG1 ILE 38 2HG1 ILE 38 -9.832 -3.937 5.340 297 1HG2 ILE 38 1HG2 ILE 38 -8.871 -5.896 8.465 298 2HG2 ILE 38 2HG2 ILE 38 -9.415 -4.298 7.903 299 3HG2 ILE 38 3HG2 ILE 38 -10.559 -5.645 8.004 300 1HD1 ILE 38 1HD1 ILE 38 -9.327 -5.359 3.412 301 2HD1 ILE 38 2HD1 ILE 38 -10.388 -6.648 4.039 302 3HD1 ILE 38 3HD1 ILE 38 -11.079 -5.127 3.467 303 H ARG 39 H ARG 39 -7.627 -8.071 5.559 304 HA ARG 39 HA ARG 39 -5.694 -8.078 3.495 305 1HB ARG 39 1HB ARG 39 -6.313 -10.530 3.306 306 2HB ARG 39 2HB ARG 39 -5.800 -9.935 4.874 307 1HG ARG 39 1HG ARG 39 -7.524 -11.506 5.181 308 2HG ARG 39 2HG ARG 39 -8.173 -9.952 5.662 309 1HD ARG 39 1HD ARG 39 -9.488 -9.792 3.626 310 2HD ARG 39 2HD ARG 39 -8.699 -11.202 2.914 311 HE ARG 39 HE ARG 39 -10.876 -11.078 4.827 312 1HH1 ARG 39 1HH1 ARG 39 -8.222 -13.133 3.730 313 2HH1 ARG 39 2HH1 ARG 39 -8.993 -14.625 4.199 314 1HH2 ARG 39 1HH2 ARG 39 -11.889 -13.007 5.460 315 2HH2 ARG 39 2HH2 ARG 39 -11.113 -14.546 5.214 316 HA PRO 40 HA PRO 40 -5.235 -9.696 1.597 317 1HB PRO 40 1HB PRO 40 -4.588 -9.202 -0.999 318 2HB PRO 40 2HB PRO 40 -5.741 -10.477 -0.511 319 1HG PRO 40 1HG PRO 40 -6.389 -7.661 -1.419 320 2HG PRO 40 2HG PRO 40 -7.076 -9.189 -2.046 321 1HD PRO 40 1HD PRO 40 -8.420 -7.787 -0.150 322 2HD PRO 40 2HD PRO 40 -8.311 -9.555 -0.030 323 H CYS 41 H CYS 41 -3.107 -8.911 1.627 324 HA CYS 41 HA CYS 41 -2.579 -6.060 1.072 325 1HB CYS 41 1HB CYS 41 -1.801 -7.542 3.643 326 2HB CYS 41 2HB CYS 41 -1.296 -5.921 3.131 327 HG CYS 41 HG CYS 41 -4.145 -5.522 2.716 328 H MET 42 H MET 42 -1.224 -6.461 -0.675 329 HA MET 42 HA MET 42 0.595 -8.809 -0.461 330 1HB MET 42 1HB MET 42 -1.556 -8.643 -2.152 331 2HB MET 42 2HB MET 42 -0.265 -7.986 -3.167 332 1HG MET 42 1HG MET 42 1.108 -10.023 -2.606 333 2HG MET 42 2HG MET 42 -0.266 -10.634 -1.676 334 1HE MET 42 1HE MET 42 1.149 -12.418 -3.663 335 2HE MET 42 2HE MET 42 -0.359 -12.926 -2.870 336 3HE MET 42 3HE MET 42 -0.178 -13.107 -4.629 337 H LYS 43 H LYS 43 2.592 -8.690 -1.230 338 HA LYS 43 HA LYS 43 3.770 -5.990 -1.634 339 1HB LYS 43 1HB LYS 43 4.353 -6.633 0.526 340 2HB LYS 43 2HB LYS 43 4.286 -8.355 0.141 341 1HG LYS 43 1HG LYS 43 6.386 -8.336 -0.980 342 2HG LYS 43 2HG LYS 43 6.558 -6.577 -0.784 343 1HD LYS 43 1HD LYS 43 6.788 -6.753 1.574 344 2HD LYS 43 2HD LYS 43 6.090 -8.378 1.637 345 1HE LYS 43 1HE LYS 43 8.714 -7.783 0.231 346 2HE LYS 43 2HE LYS 43 8.592 -8.265 1.940 347 1HZ LYS 43 1HZ LYS 43 7.519 -10.276 1.256 348 2HZ LYS 43 2HZ LYS 43 7.640 -9.860 -0.333 349 3HZ LYS 43 3HZ LYS 43 8.999 -10.141 0.552 350 H LYS 44 H LYS 44 5.361 -5.788 -3.193 351 HA LYS 44 HA LYS 44 6.390 -8.171 -4.618 352 1HB LYS 44 1HB LYS 44 4.375 -7.367 -5.810 353 2HB LYS 44 2HB LYS 44 5.051 -5.742 -5.893 354 1HG LYS 44 1HG LYS 44 5.224 -6.831 -8.009 355 2HG LYS 44 2HG LYS 44 6.858 -6.592 -7.398 356 1HD LYS 44 1HD LYS 44 6.999 -8.983 -6.771 357 2HD LYS 44 2HD LYS 44 5.285 -9.199 -7.124 358 1HE LYS 44 1HE LYS 44 5.752 -8.535 -9.526 359 2HE LYS 44 2HE LYS 44 7.481 -8.539 -9.136 360 1HZ LYS 44 1HZ LYS 44 7.224 -10.876 -8.540 361 2HZ LYS 44 2HZ LYS 44 5.630 -10.813 -8.932 362 3HZ LYS 44 3HZ LYS 44 6.771 -10.595 -10.099 363 H THR 45 H THR 45 8.447 -7.827 -5.533 364 HA THR 45 HA THR 45 10.048 -5.627 -4.557 365 HB THR 45 HB THR 45 10.952 -7.609 -6.632 366 HG1 THR 45 HG1 THR 45 10.349 -8.332 -3.959 367 1HG2 THR 45 1HG2 THR 45 12.555 -6.043 -5.610 368 2HG2 THR 45 2HG2 THR 45 12.179 -6.693 -4.000 369 3HG2 THR 45 3HG2 THR 45 12.951 -7.729 -5.216 370 H ILE 46 H ILE 46 10.727 -3.816 -5.779 371 HA ILE 46 HA ILE 46 9.980 -3.716 -8.656 372 HB ILE 46 HB ILE 46 9.333 -1.956 -6.506 373 1HG1 ILE 46 1HG1 ILE 46 7.881 -0.933 -8.210 374 2HG1 ILE 46 2HG1 ILE 46 8.656 -1.898 -9.468 375 1HG2 ILE 46 1HG2 ILE 46 11.298 -0.603 -7.088 376 2HG2 ILE 46 2HG2 ILE 46 10.805 -0.598 -8.800 377 3HG2 ILE 46 3HG2 ILE 46 9.814 0.207 -7.570 378 1HD1 ILE 46 1HD1 ILE 46 7.767 -3.964 -8.467 379 2HD1 ILE 46 2HD1 ILE 46 7.184 -3.058 -7.054 380 3HD1 ILE 46 3HD1 ILE 46 6.458 -2.803 -8.657 381 H TYR 47 H TYR 47 11.491 -3.456 -10.115 382 HA TYR 47 HA TYR 47 14.310 -3.131 -9.232 383 1HB TYR 47 1HB TYR 47 12.975 -4.689 -11.446 384 2HB TYR 47 2HB TYR 47 14.639 -4.191 -11.608 385 HD1 TYR 47 HD1 TYR 47 12.422 -6.051 -9.185 386 HD2 TYR 47 HD2 TYR 47 16.365 -5.517 -10.845 387 HE1 TYR 47 HE1 TYR 47 13.227 -8.028 -7.932 388 HE2 TYR 47 HE2 TYR 47 17.166 -7.490 -9.583 389 HH TYR 47 HH TYR 47 15.036 -9.392 -7.441 390 H GLU 48 H GLU 48 15.744 -2.192 -10.769 391 HA GLU 48 HA GLU 48 14.695 0.138 -12.260 392 1HB GLU 48 1HB GLU 48 17.046 -0.427 -10.632 393 2HB GLU 48 2HB GLU 48 17.605 -0.017 -12.233 394 1HG GLU 48 1HG GLU 48 15.592 1.652 -10.667 395 2HG GLU 48 2HG GLU 48 17.341 1.870 -10.550 396 H ASN 49 H ASN 49 16.625 0.351 -14.030 397 HA ASN 49 HA ASN 49 17.056 -1.899 -15.786 398 1HB ASN 49 1HB ASN 49 14.452 -0.603 -15.910 399 2HB ASN 49 2HB ASN 49 15.354 -0.139 -17.342 400 1HD2 ASN 49 1HD2 ASN 49 14.774 -3.078 -15.328 401 2HD2 ASN 49 2HD2 ASN 49 14.482 -4.141 -16.712 402 H GLU 50 H GLU 50 16.842 1.621 -15.291 403 HA GLU 50 HA GLU 50 18.351 2.364 -17.615 404 1HB GLU 50 1HB GLU 50 16.658 3.765 -16.400 405 2HB GLU 50 2HB GLU 50 17.811 3.934 -15.063 406 1HG GLU 50 1HG GLU 50 19.429 5.019 -16.634 407 2HG GLU 50 2HG GLU 50 18.257 4.832 -17.949 408 H GLY 51 H GLY 51 20.019 0.683 -17.189 409 1HA GLY 51 1HA GLY 51 22.459 0.734 -17.051 410 2HA GLY 51 2HA GLY 51 22.353 1.815 -15.658 411 H PHE 52 H PHE 52 21.988 -1.448 -16.807 412 HA PHE 52 HA PHE 52 21.715 -3.467 -15.933 413 1HB PHE 52 1HB PHE 52 23.018 -2.009 -13.654 414 2HB PHE 52 2HB PHE 52 22.392 -3.613 -13.376 415 HD1 PHE 52 HD1 PHE 52 24.530 -1.780 -15.899 416 HD2 PHE 52 HD2 PHE 52 23.924 -5.368 -13.575 417 HE1 PHE 52 HE1 PHE 52 26.681 -2.687 -16.726 418 HE2 PHE 52 HE2 PHE 52 26.092 -6.245 -14.375 419 HZ PHE 52 HZ PHE 52 27.474 -4.914 -15.956 420 H ARG 53 H ARG 53 20.581 -4.798 -14.242 421 HA ARG 53 HA ARG 53 18.047 -3.502 -13.322 422 1HB ARG 53 1HB ARG 53 18.736 -6.419 -13.902 423 2HB ARG 53 2HB ARG 53 17.305 -5.878 -13.017 424 1HG ARG 53 1HG ARG 53 16.728 -4.409 -15.011 425 2HG ARG 53 2HG ARG 53 17.974 -5.274 -15.924 426 1HD ARG 53 1HD ARG 53 15.566 -6.504 -14.503 427 2HD ARG 53 2HD ARG 53 15.693 -6.234 -16.253 428 HE ARG 53 HE ARG 53 17.913 -7.745 -15.689 429 1HH1 ARG 53 1HH1 ARG 53 14.442 -8.178 -15.161 430 2HH1 ARG 53 2HH1 ARG 53 14.492 -9.913 -15.307 431 1HH2 ARG 53 1HH2 ARG 53 17.985 -10.010 -15.916 432 2HH2 ARG 53 2HH2 ARG 53 16.541 -10.971 -15.756 433 H GLU 54 H GLU 54 17.778 -3.368 -11.135 434 HA GLU 54 HA GLU 54 19.027 -5.126 -9.325 435 1HB GLU 54 1HB GLU 54 20.602 -2.885 -9.937 436 2HB GLU 54 2HB GLU 54 19.691 -2.308 -8.543 437 1HG GLU 54 1HG GLU 54 21.325 -4.893 -8.646 438 2HG GLU 54 2HG GLU 54 21.916 -3.350 -8.024 439 H ILE 55 H ILE 55 18.009 -4.723 -7.160 440 HA ILE 55 HA ILE 55 15.239 -3.962 -7.358 441 HB ILE 55 HB ILE 55 17.044 -4.461 -4.961 442 1HG1 ILE 55 1HG1 ILE 55 14.951 -6.242 -6.285 443 2HG1 ILE 55 2HG1 ILE 55 16.689 -6.382 -6.576 444 1HG2 ILE 55 1HG2 ILE 55 15.110 -3.084 -4.286 445 2HG2 ILE 55 2HG2 ILE 55 14.006 -4.179 -5.139 446 3HG2 ILE 55 3HG2 ILE 55 14.892 -4.723 -3.702 447 1HD1 ILE 55 1HD1 ILE 55 17.061 -6.815 -4.155 448 2HD1 ILE 55 2HD1 ILE 55 15.296 -6.884 -3.928 449 3HD1 ILE 55 3HD1 ILE 55 16.097 -8.048 -4.990 450 H LYS 56 H LYS 56 14.484 -1.883 -7.400 451 HA LYS 56 HA LYS 56 16.231 0.300 -6.337 452 1HB LYS 56 1HB LYS 56 15.082 0.313 -8.741 453 2HB LYS 56 2HB LYS 56 13.675 0.848 -7.811 454 1HG LYS 56 1HG LYS 56 15.517 2.504 -6.703 455 2HG LYS 56 2HG LYS 56 16.389 2.133 -8.185 456 1HD LYS 56 1HD LYS 56 15.241 4.082 -8.744 457 2HD LYS 56 2HD LYS 56 14.136 2.853 -9.386 458 1HE LYS 56 1HE LYS 56 12.768 3.018 -7.302 459 2HE LYS 56 2HE LYS 56 13.919 4.201 -6.650 460 1HZ LYS 56 1HZ LYS 56 13.378 5.654 -8.449 461 2HZ LYS 56 2HZ LYS 56 12.289 4.575 -9.055 462 3HZ LYS 56 3HZ LYS 56 12.034 5.268 -7.580 463 H GLY 57 H GLY 57 13.192 -1.502 -5.848 464 1HA GLY 57 1HA GLY 57 12.794 -0.407 -3.226 465 2HA GLY 57 2HA GLY 57 11.780 0.420 -4.439 466 H TYR 58 H TYR 58 9.992 -0.491 -3.211 467 HA TYR 58 HA TYR 58 9.199 -3.178 -4.154 468 1HB TYR 58 1HB TYR 58 8.787 -2.292 -1.298 469 2HB TYR 58 2HB TYR 58 8.626 -3.899 -1.973 470 HD1 TYR 58 HD1 TYR 58 11.024 -1.349 -0.744 471 HD2 TYR 58 HD2 TYR 58 10.609 -5.354 -2.273 472 HE1 TYR 58 HE1 TYR 58 13.431 -1.726 -0.383 473 HE2 TYR 58 HE2 TYR 58 13.035 -5.740 -1.886 474 HH TYR 58 HH TYR 58 15.215 -3.186 -0.678 475 H GLU 59 H GLU 59 6.896 -3.444 -3.880 476 HA GLU 59 HA GLU 59 5.254 -0.972 -3.524 477 1HB GLU 59 1HB GLU 59 5.083 -3.010 -5.768 478 2HB GLU 59 2HB GLU 59 3.683 -2.066 -5.239 479 1HG GLU 59 1HG GLU 59 4.834 0.034 -5.636 480 2HG GLU 59 2HG GLU 59 6.310 -0.810 -6.125 481 H TYR 60 H TYR 60 3.598 -1.229 -2.160 482 HA TYR 60 HA TYR 60 2.794 -3.958 -1.279 483 1HB TYR 60 1HB TYR 60 2.792 -1.501 0.460 484 2HB TYR 60 2HB TYR 60 2.625 -3.182 0.938 485 HD1 TYR 60 HD1 TYR 60 4.958 -4.502 -0.295 486 HD2 TYR 60 HD2 TYR 60 4.654 -0.613 1.540 487 HE1 TYR 60 HE1 TYR 60 7.386 -4.546 0.217 488 HE2 TYR 60 HE2 TYR 60 7.041 -0.709 2.132 489 HH TYR 60 HH TYR 60 9.013 -1.927 1.996 490 H GLN 61 H GLN 61 0.813 -4.209 -2.173 491 HA GLN 61 HA GLN 61 -1.050 -1.905 -2.440 492 1HB GLN 61 1HB GLN 61 -2.352 -3.461 -3.812 493 2HB GLN 61 2HB GLN 61 -0.809 -2.960 -4.515 494 1HG GLN 61 1HG GLN 61 0.189 -5.114 -4.076 495 2HG GLN 61 2HG GLN 61 -1.218 -5.649 -3.135 496 1HE2 GLN 61 1HE2 GLN 61 -0.717 -7.437 -4.995 497 2HE2 GLN 61 2HE2 GLN 61 -1.754 -7.232 -6.386 498 H LEU 62 H LEU 62 -2.618 -1.706 -0.882 499 HA LEU 62 HA LEU 62 -3.631 -4.151 0.404 500 1HB LEU 62 1HB LEU 62 -3.207 -3.236 2.688 501 2HB LEU 62 2HB LEU 62 -1.784 -3.748 1.789 502 HG LEU 62 HG LEU 62 -1.432 -1.241 1.200 503 1HD1 LEU 62 1HD1 LEU 62 -3.613 -0.339 1.999 504 2HD1 LEU 62 2HD1 LEU 62 -3.274 -0.961 3.624 505 3HD1 LEU 62 3HD1 LEU 62 -2.273 0.323 2.932 506 1HD2 LEU 62 1HD2 LEU 62 -1.121 -2.301 4.033 507 2HD2 LEU 62 2HD2 LEU 62 0.014 -2.533 2.687 508 3HD2 LEU 62 3HD2 LEU 62 -0.245 -0.915 3.356 509 H TYR 63 H TYR 63 -5.573 -3.919 1.556 510 HA TYR 63 HA TYR 63 -7.213 -1.722 0.504 511 1HB TYR 63 1HB TYR 63 -7.693 -4.495 1.580 512 2HB TYR 63 2HB TYR 63 -8.958 -3.294 1.600 513 HD1 TYR 63 HD1 TYR 63 -7.426 -5.769 -0.413 514 HD2 TYR 63 HD2 TYR 63 -9.307 -1.913 -0.682 515 HE1 TYR 63 HE1 TYR 63 -8.237 -6.324 -2.698 516 HE2 TYR 63 HE2 TYR 63 -9.981 -2.407 -3.004 517 HH TYR 63 HH TYR 63 -9.477 -5.593 -4.514 518 H VAL 64 H VAL 64 -7.173 0.028 1.721 519 HA VAL 64 HA VAL 64 -7.060 -0.190 4.682 520 HB VAL 64 HB VAL 64 -5.287 1.080 3.767 521 1HG1 VAL 64 1HG1 VAL 64 -6.181 1.870 1.624 522 2HG1 VAL 64 2HG1 VAL 64 -7.319 2.943 2.474 523 3HG1 VAL 64 3HG1 VAL 64 -5.574 3.211 2.598 524 1HG2 VAL 64 1HG2 VAL 64 -7.285 3.015 5.001 525 2HG2 VAL 64 2HG2 VAL 64 -6.426 1.755 5.907 526 3HG2 VAL 64 3HG2 VAL 64 -5.509 3.041 5.109 527 H TYR 65 H TYR 65 -8.848 0.187 5.859 528 HA TYR 65 HA TYR 65 -11.301 1.197 4.609 529 1HB TYR 65 1HB TYR 65 -10.528 -0.165 7.168 530 2HB TYR 65 2HB TYR 65 -11.841 0.988 7.222 531 HD1 TYR 65 HD1 TYR 65 -11.361 -2.398 7.042 532 HD2 TYR 65 HD2 TYR 65 -13.575 0.783 5.158 533 HE1 TYR 65 HE1 TYR 65 -13.184 -3.985 6.469 534 HE2 TYR 65 HE2 TYR 65 -15.335 -0.816 4.504 535 HH TYR 65 HH TYR 65 -16.063 -2.999 4.604 536 H ALA 66 H ALA 66 -11.534 3.308 4.451 537 HA ALA 66 HA ALA 66 -10.369 5.107 6.521 538 1HB ALA 66 1HB ALA 66 -9.153 5.285 4.379 539 2HB ALA 66 2HB ALA 66 -10.677 5.614 3.532 540 3HB ALA 66 3HB ALA 66 -10.057 6.770 4.736 541 H SER 67 H SER 67 -11.897 6.058 7.584 542 HA SER 67 HA SER 67 -13.701 7.062 8.358 543 1HB SER 67 1HB SER 67 -13.910 8.235 6.115 544 2HB SER 67 2HB SER 67 -15.025 6.962 5.603 545 HG SER 67 HG SER 67 -15.332 8.675 7.858 546 H ASP 68 H ASP 68 -14.585 4.837 5.909 547 HA ASP 68 HA ASP 68 -15.371 2.581 7.432 548 1HB ASP 68 1HB ASP 68 -17.739 2.620 7.265 549 2HB ASP 68 2HB ASP 68 -17.293 4.115 8.077 550 H LYS 69 H LYS 69 -14.429 3.968 4.534 551 HA LYS 69 HA LYS 69 -15.776 1.917 2.826 552 1HB LYS 69 1HB LYS 69 -15.227 4.838 2.451 553 2HB LYS 69 2HB LYS 69 -14.764 3.785 1.117 554 1HG LYS 69 1HG LYS 69 -16.983 4.568 0.720 555 2HG LYS 69 2HG LYS 69 -17.023 2.822 1.008 556 1HD LYS 69 1HD LYS 69 -17.707 3.288 3.396 557 2HD LYS 69 2HD LYS 69 -17.775 5.013 3.005 558 1HE LYS 69 1HE LYS 69 -19.448 2.768 1.770 559 2HE LYS 69 2HE LYS 69 -20.000 3.960 2.956 560 1HZ LYS 69 1HZ LYS 69 -19.573 5.674 1.338 561 2HZ LYS 69 2HZ LYS 69 -19.099 4.553 0.225 562 3HZ LYS 69 3HZ LYS 69 -20.653 4.569 0.767 563 H LEU 70 H LEU 70 -14.459 0.764 1.440 564 HA LEU 70 HA LEU 70 -11.718 0.484 2.451 565 1HB LEU 70 1HB LEU 70 -13.502 -1.394 2.193 566 2HB LEU 70 2HB LEU 70 -13.187 -1.272 0.464 567 HG LEU 70 HG LEU 70 -10.688 -1.635 1.101 568 1HD1 LEU 70 1HD1 LEU 70 -10.957 -1.222 3.564 569 2HD1 LEU 70 2HD1 LEU 70 -12.023 -2.637 3.652 570 3HD1 LEU 70 3HD1 LEU 70 -10.315 -2.825 3.244 571 1HD2 LEU 70 1HD2 LEU 70 -12.774 -3.823 1.547 572 2HD2 LEU 70 2HD2 LEU 70 -12.065 -3.348 -0.009 573 3HD2 LEU 70 3HD2 LEU 70 -11.058 -4.122 1.219 574 H PHE 71 H PHE 71 -10.010 1.330 1.344 575 HA PHE 71 HA PHE 71 -10.296 1.897 -1.591 576 1HB PHE 71 1HB PHE 71 -8.783 3.406 0.567 577 2HB PHE 71 2HB PHE 71 -8.562 3.653 -1.158 578 HD1 PHE 71 HD1 PHE 71 -10.049 5.005 -2.445 579 HD2 PHE 71 HD2 PHE 71 -11.060 3.927 1.607 580 HE1 PHE 71 HE1 PHE 71 -11.703 6.845 -2.366 581 HE2 PHE 71 HE2 PHE 71 -12.802 5.691 1.641 582 HZ PHE 71 HZ PHE 71 -13.100 7.185 -0.334 583 H ARG 72 H ARG 72 -8.614 1.311 -2.870 584 HA ARG 72 HA ARG 72 -6.713 -0.700 -1.824 585 1HB ARG 72 1HB ARG 72 -8.126 -1.065 -3.908 586 2HB ARG 72 2HB ARG 72 -7.253 0.257 -4.661 587 1HG ARG 72 1HG ARG 72 -6.274 -1.767 -5.408 588 2HG ARG 72 2HG ARG 72 -5.092 -1.040 -4.316 589 1HD ARG 72 1HD ARG 72 -5.606 -2.603 -2.558 590 2HD ARG 72 2HD ARG 72 -7.111 -3.081 -3.323 591 HE ARG 72 HE ARG 72 -4.518 -4.161 -3.783 592 1HH1 ARG 72 1HH1 ARG 72 -7.808 -3.975 -5.099 593 2HH1 ARG 72 2HH1 ARG 72 -7.431 -4.911 -6.515 594 1HH2 ARG 72 1HH2 ARG 72 -3.995 -5.202 -5.827 595 2HH2 ARG 72 2HH2 ARG 72 -5.305 -5.789 -6.812 596 H ALA 73 H ALA 73 -4.948 0.314 -0.903 597 HA ALA 73 HA ALA 73 -3.825 2.779 -2.186 598 1HB ALA 73 1HB ALA 73 -4.432 3.059 0.163 599 2HB ALA 73 2HB ALA 73 -3.460 1.637 0.606 600 3HB ALA 73 3HB ALA 73 -2.670 3.088 -0.042 601 H ASP 74 H ASP 74 -1.987 2.499 -3.325 602 HA ASP 74 HA ASP 74 -0.262 0.110 -2.803 603 1HB ASP 74 1HB ASP 74 -0.884 0.161 -5.081 604 2HB ASP 74 2HB ASP 74 -0.445 1.879 -5.233 605 H ILE 75 H ILE 75 1.148 0.598 -1.341 606 HA ILE 75 HA ILE 75 2.373 3.320 -1.166 607 HB ILE 75 HB ILE 75 2.479 0.988 0.802 608 1HG1 ILE 75 1HG1 ILE 75 1.331 2.806 2.283 609 2HG1 ILE 75 2HG1 ILE 75 0.846 3.559 0.760 610 1HG2 ILE 75 1HG2 ILE 75 4.546 2.298 0.833 611 2HG2 ILE 75 2HG2 ILE 75 3.615 3.807 0.930 612 3HG2 ILE 75 3HG2 ILE 75 3.601 2.648 2.277 613 1HD1 ILE 75 1HD1 ILE 75 -0.456 1.538 0.186 614 2HD1 ILE 75 2HD1 ILE 75 0.262 0.660 1.553 615 3HD1 ILE 75 3HD1 ILE 75 -0.848 2.011 1.837 616 H SER 76 H SER 76 4.383 3.482 -2.109 617 HA SER 76 HA SER 76 5.840 0.952 -2.742 618 1HB SER 76 1HB SER 76 6.364 3.710 -3.878 619 2HB SER 76 2HB SER 76 7.124 2.180 -4.346 620 HG SER 76 HG SER 76 4.326 2.640 -4.494 621 H GLU 77 H GLU 77 8.076 0.914 -2.198 622 HA GLU 77 HA GLU 77 9.021 2.930 -0.228 623 1HB GLU 77 1HB GLU 77 8.299 1.018 1.048 624 2HB GLU 77 2HB GLU 77 9.251 -0.088 0.049 625 1HG GLU 77 1HG GLU 77 11.334 0.813 0.863 626 2HG GLU 77 2HG GLU 77 10.540 2.242 1.540 627 H ASP 78 H ASP 78 10.875 3.810 -0.886 628 HA ASP 78 HA ASP 78 12.204 2.688 -3.290 629 1HB ASP 78 1HB ASP 78 11.329 5.046 -3.236 630 2HB ASP 78 2HB ASP 78 12.507 5.418 -1.969 631 H TYR 79 H TYR 79 13.976 1.457 -2.884 632 HA TYR 79 HA TYR 79 15.087 1.169 -0.268 633 1HB TYR 79 1HB TYR 79 15.019 -0.577 -2.082 634 2HB TYR 79 2HB TYR 79 16.237 0.344 -2.962 635 HD1 TYR 79 HD1 TYR 79 15.698 -1.010 0.531 636 HD2 TYR 79 HD2 TYR 79 18.434 -0.458 -2.762 637 HE1 TYR 79 HE1 TYR 79 17.437 -2.285 1.753 638 HE2 TYR 79 HE2 TYR 79 20.168 -1.709 -1.528 639 HH TYR 79 HH TYR 79 20.693 -2.854 0.404 640 H LYS 80 H LYS 80 15.773 3.350 -2.936 641 HA LYS 80 HA LYS 80 18.481 3.837 -2.443 642 1HB LYS 80 1HB LYS 80 16.945 4.520 -4.444 643 2HB LYS 80 2HB LYS 80 16.507 5.917 -3.455 644 1HG LYS 80 1HG LYS 80 18.166 6.614 -4.968 645 2HG LYS 80 2HG LYS 80 18.984 6.528 -3.404 646 1HD LYS 80 1HD LYS 80 20.014 4.383 -4.002 647 2HD LYS 80 2HD LYS 80 19.056 4.275 -5.485 648 1HE LYS 80 1HE LYS 80 21.140 6.432 -4.895 649 2HE LYS 80 2HE LYS 80 21.419 4.975 -5.863 650 1HZ LYS 80 1HZ LYS 80 19.708 5.713 -7.366 651 2HZ LYS 80 2HZ LYS 80 19.500 7.100 -6.501 652 3HZ LYS 80 3HZ LYS 80 20.933 6.809 -7.256 653 H THR 81 H THR 81 15.691 4.983 -0.657 654 HA THR 81 HA THR 81 17.622 5.951 1.342 655 HB THR 81 HB THR 81 15.325 7.816 0.678 656 HG1 THR 81 HG1 THR 81 17.858 7.582 -0.527 657 1HG2 THR 81 1HG2 THR 81 18.049 8.235 2.008 658 2HG2 THR 81 2HG2 THR 81 16.849 9.501 1.686 659 3HG2 THR 81 3HG2 THR 81 16.484 8.220 2.846 660 H ARG 82 H ARG 82 15.414 3.809 0.771 661 HA ARG 82 HA ARG 82 13.935 2.630 1.935 662 1HB ARG 82 1HB ARG 82 16.011 2.621 3.463 663 2HB ARG 82 2HB ARG 82 15.146 3.780 4.476 664 1HG ARG 82 1HG ARG 82 13.340 1.621 3.913 665 2HG ARG 82 2HG ARG 82 14.886 0.874 4.298 666 1HD ARG 82 1HD ARG 82 13.435 2.943 6.006 667 2HD ARG 82 2HD ARG 82 13.392 1.186 6.261 668 HE ARG 82 HE ARG 82 16.107 1.991 6.177 669 1HH1 ARG 82 1HH1 ARG 82 13.264 2.413 8.214 670 2HH1 ARG 82 2HH1 ARG 82 14.155 2.536 9.707 671 1HH2 ARG 82 1HH2 ARG 82 17.309 2.152 8.118 672 2HH2 ARG 82 2HH2 ARG 82 16.507 2.393 9.646 673 H GLY 83 H GLY 83 12.943 5.012 0.967 674 1HA GLY 83 1HA GLY 83 11.253 6.221 3.152 675 2HA GLY 83 2HA GLY 83 11.771 7.040 1.677 676 H ARG 84 H ARG 84 9.002 6.214 2.875 677 HA ARG 84 HA ARG 84 8.022 4.601 0.605 678 1HB ARG 84 1HB ARG 84 6.595 5.213 3.169 679 2HB ARG 84 2HB ARG 84 6.146 4.022 1.943 680 1HG ARG 84 1HG ARG 84 8.444 2.929 2.381 681 2HG ARG 84 2HG ARG 84 8.497 3.883 3.870 682 1HD ARG 84 1HD ARG 84 6.293 2.872 4.528 683 2HD ARG 84 2HD ARG 84 6.306 1.917 3.046 684 HE ARG 84 HE ARG 84 7.949 0.515 3.850 685 1HH1 ARG 84 1HH1 ARG 84 7.540 3.203 6.111 686 2HH1 ARG 84 2HH1 ARG 84 8.520 2.481 7.356 687 1HH2 ARG 84 1HH2 ARG 84 9.301 -0.373 5.398 688 2HH2 ARG 84 2HH2 ARG 84 9.538 0.395 6.946 689 H LYS 85 H LYS 85 5.779 5.011 -0.017 690 HA LYS 85 HA LYS 85 4.840 7.753 -0.146 691 1HB LYS 85 1HB LYS 85 5.422 8.036 -2.573 692 2HB LYS 85 2HB LYS 85 6.774 8.165 -1.447 693 1HG LYS 85 1HG LYS 85 6.467 5.405 -2.346 694 2HG LYS 85 2HG LYS 85 6.551 6.478 -3.730 695 1HD LYS 85 1HD LYS 85 8.572 6.546 -1.442 696 2HD LYS 85 2HD LYS 85 8.765 5.503 -2.847 697 1HE LYS 85 1HE LYS 85 8.500 8.544 -3.006 698 2HE LYS 85 2HE LYS 85 10.031 7.658 -3.002 699 1HZ LYS 85 1HZ LYS 85 9.332 6.538 -4.989 700 2HZ LYS 85 2HZ LYS 85 7.920 7.388 -5.019 701 3HZ LYS 85 3HZ LYS 85 9.354 8.171 -5.203 702 H LEU 86 H LEU 86 2.738 7.836 -0.721 703 HA LEU 86 HA LEU 86 1.352 5.457 -1.623 704 1HB LEU 86 1HB LEU 86 0.357 7.156 -0.136 705 2HB LEU 86 2HB LEU 86 0.534 8.379 -1.401 706 HG LEU 86 HG LEU 86 -1.083 7.186 -2.834 707 1HD1 LEU 86 1HD1 LEU 86 -0.792 4.863 -2.150 708 2HD1 LEU 86 2HD1 LEU 86 -1.247 5.250 -0.477 709 3HD1 LEU 86 3HD1 LEU 86 -2.449 5.339 -1.781 710 1HD2 LEU 86 1HD2 LEU 86 -2.010 7.711 0.021 711 2HD2 LEU 86 2HD2 LEU 86 -1.811 8.933 -1.250 712 3HD2 LEU 86 3HD2 LEU 86 -3.058 7.690 -1.406 713 H LEU 87 H LEU 87 1.460 4.769 -3.725 714 HA LEU 87 HA LEU 87 2.134 6.693 -5.900 715 1HB LEU 87 1HB LEU 87 2.369 3.753 -5.460 716 2HB LEU 87 2HB LEU 87 1.859 4.207 -7.079 717 HG LEU 87 HG LEU 87 4.293 3.904 -6.820 718 1HD1 LEU 87 1HD1 LEU 87 3.369 5.224 -8.666 719 2HD1 LEU 87 2HD1 LEU 87 3.480 6.706 -7.693 720 3HD1 LEU 87 3HD1 LEU 87 4.952 5.829 -8.148 721 1HD2 LEU 87 1HD2 LEU 87 4.314 6.553 -5.306 722 2HD2 LEU 87 2HD2 LEU 87 4.446 4.970 -4.523 723 3HD2 LEU 87 3HD2 LEU 87 5.676 5.489 -5.698 724 H ARG 88 H ARG 88 -0.336 4.194 -5.181 725 HA ARG 88 HA ARG 88 -2.259 5.680 -6.929 726 1HB ARG 88 1HB ARG 88 -1.677 2.697 -6.889 727 2HB ARG 88 2HB ARG 88 -3.124 3.401 -7.604 728 1HG ARG 88 1HG ARG 88 -1.954 4.522 -9.298 729 2HG ARG 88 2HG ARG 88 -0.395 4.411 -8.478 730 1HD ARG 88 1HD ARG 88 -1.884 1.982 -9.545 731 2HD ARG 88 2HD ARG 88 -0.633 2.882 -10.429 732 HE ARG 88 HE ARG 88 0.322 2.162 -7.821 733 1HH1 ARG 88 1HH1 ARG 88 -0.300 0.754 -11.012 734 2HH1 ARG 88 2HH1 ARG 88 0.981 -0.419 -10.881 735 1HH2 ARG 88 1HH2 ARG 88 1.959 0.649 -7.634 736 2HH2 ARG 88 2HH2 ARG 88 2.290 -0.511 -8.881 737 H PHE 89 H PHE 89 -4.322 5.732 -6.159 738 HA PHE 89 HA PHE 89 -5.009 4.380 -3.613 739 1HB PHE 89 1HB PHE 89 -4.097 6.625 -3.072 740 2HB PHE 89 2HB PHE 89 -5.288 7.367 -4.126 741 HD1 PHE 89 HD1 PHE 89 -7.602 7.623 -3.421 742 HD2 PHE 89 HD2 PHE 89 -4.823 5.414 -0.975 743 HE1 PHE 89 HE1 PHE 89 -9.173 7.760 -1.497 744 HE2 PHE 89 HE2 PHE 89 -6.424 5.503 0.920 745 HZ PHE 89 HZ PHE 89 -8.603 6.683 0.655 746 H ASN 90 H ASN 90 -6.413 3.055 -4.770 747 HA ASN 90 HA ASN 90 -8.392 4.375 -6.602 748 1HB ASN 90 1HB ASN 90 -7.301 1.541 -6.518 749 2HB ASN 90 2HB ASN 90 -8.647 2.080 -7.515 750 1HD2 ASN 90 1HD2 ASN 90 -7.580 1.572 -9.497 751 2HD2 ASN 90 2HD2 ASN 90 -6.235 2.548 -10.059 752 H GLY 91 H GLY 91 -10.554 3.503 -6.540 753 1HA GLY 91 1HA GLY 91 -12.226 2.148 -5.371 754 2HA GLY 91 2HA GLY 91 -11.375 2.476 -3.854 755 HA PRO 92 HA PRO 92 -12.809 2.934 -2.223 756 1HB PRO 92 1HB PRO 92 -15.417 3.068 -1.440 757 2HB PRO 92 2HB PRO 92 -14.178 4.285 -1.035 758 1HG PRO 92 1HG PRO 92 -16.205 4.388 -3.292 759 2HG PRO 92 2HG PRO 92 -15.850 5.669 -2.095 760 1HD PRO 92 1HD PRO 92 -14.728 5.648 -4.595 761 2HD PRO 92 2HD PRO 92 -13.811 6.216 -3.179 762 H VAL 93 H VAL 93 -13.434 0.748 -2.137 763 HA VAL 93 HA VAL 93 -14.972 -0.276 -4.476 764 HB VAL 93 HB VAL 93 -13.928 -2.354 -4.301 765 1HG1 VAL 93 1HG1 VAL 93 -12.717 -0.564 -5.560 766 2HG1 VAL 93 2HG1 VAL 93 -11.721 -0.254 -4.121 767 3HG1 VAL 93 3HG1 VAL 93 -11.642 -1.823 -4.932 768 1HG2 VAL 93 1HG2 VAL 93 -12.226 -1.419 -1.959 769 2HG2 VAL 93 2HG2 VAL 93 -13.565 -2.591 -1.851 770 3HG2 VAL 93 3HG2 VAL 93 -12.160 -2.974 -2.815 771 HA PRO 94 HA PRO 94 -17.857 -1.445 -1.153 772 1HB PRO 94 1HB PRO 94 -19.863 -2.520 -2.653 773 2HB PRO 94 2HB PRO 94 -19.543 -0.761 -2.660 774 1HG PRO 94 1HG PRO 94 -18.602 -2.833 -4.661 775 2HG PRO 94 2HG PRO 94 -19.400 -1.271 -5.004 776 1HD PRO 94 1HD PRO 94 -16.671 -1.633 -5.062 777 2HD PRO 94 2HD PRO 94 -17.409 -0.074 -4.578 778 HA PRO 95 HA PRO 95 -16.796 -5.839 -0.980 779 1HB PRO 95 1HB PRO 95 -18.879 -6.963 0.413 780 2HB PRO 95 2HB PRO 95 -17.662 -5.904 1.183 781 1HG PRO 95 1HG PRO 95 -20.398 -5.117 0.135 782 2HG PRO 95 2HG PRO 95 -19.700 -4.751 1.741 783 1HD PRO 95 1HD PRO 95 -19.620 -2.956 -0.302 784 2HD PRO 95 2HD PRO 95 -18.232 -3.120 0.812 785 HA PRO 96 HA PRO 96 -19.057 -7.365 -4.533 786 1HB PRO 96 1HB PRO 96 -18.526 -10.049 -4.493 787 2HB PRO 96 2HB PRO 96 -17.280 -8.820 -4.860 788 1HG PRO 96 1HG PRO 96 -17.826 -10.146 -2.188 789 2HG PRO 96 2HG PRO 96 -16.253 -9.979 -3.021 790 1HD PRO 96 1HD PRO 96 -17.033 -8.239 -1.080 791 2HD PRO 96 2HD PRO 96 -16.149 -7.653 -2.521 Start of MODEL 5 1 1H GLY 1 1H GLY 1 6.965 -10.847 -1.384 2 2H GLY 1 2H GLY 1 7.769 -12.280 -1.292 3 3H GLY 1 3H GLY 1 8.076 -11.096 -0.191 4 1HA GLY 1 1HA GLY 1 8.977 -9.662 -1.872 5 2HA GLY 1 2HA GLY 1 9.856 -11.203 -1.782 6 H GLU 2 H GLU 2 8.813 -13.002 -3.220 7 HA GLU 2 HA GLU 2 8.509 -12.014 -5.964 8 1HB GLU 2 1HB GLU 2 8.427 -14.832 -4.788 9 2HB GLU 2 2HB GLU 2 8.401 -14.417 -6.502 10 1HG GLU 2 1HG GLU 2 10.653 -15.030 -5.952 11 2HG GLU 2 2HG GLU 2 10.626 -13.291 -6.268 12 H TRP 3 H TRP 3 6.626 -10.781 -4.994 13 HA TRP 3 HA TRP 3 4.441 -10.314 -4.594 14 1HB TRP 3 1HB TRP 3 4.255 -12.419 -6.711 15 2HB TRP 3 2HB TRP 3 2.786 -11.873 -5.897 16 HD1 TRP 3 HD1 TRP 3 4.494 -11.218 -8.931 17 HE1 TRP 3 HE1 TRP 3 3.946 -8.933 -9.912 18 HE3 TRP 3 HE3 TRP 3 2.353 -9.053 -4.798 19 HZ2 TRP 3 HZ2 TRP 3 2.805 -6.426 -9.003 20 HZ3 TRP 3 HZ3 TRP 3 1.718 -6.663 -4.844 21 HH2 TRP 3 HH2 TRP 3 1.867 -5.362 -6.957 22 H GLU 4 H GLU 4 4.111 -10.652 -2.403 23 HA GLU 4 HA GLU 4 2.664 -13.148 -1.769 24 1HB GLU 4 1HB GLU 4 5.054 -13.595 -1.303 25 2HB GLU 4 2HB GLU 4 5.087 -12.207 -0.187 26 1HG GLU 4 1HG GLU 4 4.973 -14.390 0.958 27 2HG GLU 4 2HG GLU 4 3.584 -13.380 1.340 28 H ILE 5 H ILE 5 1.446 -13.048 0.166 29 HA ILE 5 HA ILE 5 0.333 -10.388 0.723 30 HB ILE 5 HB ILE 5 -0.294 -12.997 2.081 31 1HG1 ILE 5 1HG1 ILE 5 -2.314 -12.139 0.129 32 2HG1 ILE 5 2HG1 ILE 5 -0.784 -12.479 -0.682 33 1HG2 ILE 5 1HG2 ILE 5 -1.135 -11.051 3.283 34 2HG2 ILE 5 2HG2 ILE 5 -1.917 -10.446 1.807 35 3HG2 ILE 5 3HG2 ILE 5 -2.474 -11.951 2.565 36 1HD1 ILE 5 1HD1 ILE 5 -0.699 -14.711 0.383 37 2HD1 ILE 5 2HD1 ILE 5 -2.236 -14.376 1.207 38 3HD1 ILE 5 3HD1 ILE 5 -2.180 -14.488 -0.564 39 H ILE 6 H ILE 6 0.670 -9.272 2.701 40 HA ILE 6 HA ILE 6 2.743 -10.418 4.540 41 HB ILE 6 HB ILE 6 3.276 -8.119 5.116 42 1HG1 ILE 6 1HG1 ILE 6 1.780 -7.192 2.649 43 2HG1 ILE 6 2HG1 ILE 6 1.040 -7.179 4.266 44 1HG2 ILE 6 1HG2 ILE 6 4.601 -9.407 3.448 45 2HG2 ILE 6 2HG2 ILE 6 3.615 -8.722 2.143 46 3HG2 ILE 6 3HG2 ILE 6 4.655 -7.671 3.124 47 1HD1 ILE 6 1HD1 ILE 6 2.793 -5.727 5.124 48 2HD1 ILE 6 2HD1 ILE 6 3.582 -5.700 3.529 49 3HD1 ILE 6 3HD1 ILE 6 1.973 -4.989 3.736 50 H ASP 7 H ASP 7 2.499 -9.952 6.770 51 HA ASP 7 HA ASP 7 -0.089 -10.447 7.775 52 1HB ASP 7 1HB ASP 7 2.371 -9.334 9.191 53 2HB ASP 7 2HB ASP 7 0.950 -10.031 9.980 54 H ILE 8 H ILE 8 -1.715 -9.102 8.344 55 HA ILE 8 HA ILE 8 -1.389 -6.196 8.272 56 HB ILE 8 HB ILE 8 -3.838 -6.487 9.046 57 1HG1 ILE 8 1HG1 ILE 8 -5.045 -8.257 7.843 58 2HG1 ILE 8 2HG1 ILE 8 -3.538 -9.045 7.399 59 1HG2 ILE 8 1HG2 ILE 8 -3.031 -5.364 7.003 60 2HG2 ILE 8 2HG2 ILE 8 -2.897 -6.932 6.184 61 3HG2 ILE 8 3HG2 ILE 8 -4.489 -6.296 6.648 62 1HD1 ILE 8 1HD1 ILE 8 -3.137 -9.643 9.746 63 2HD1 ILE 8 2HD1 ILE 8 -4.515 -8.626 10.256 64 3HD1 ILE 8 3HD1 ILE 8 -4.783 -10.103 9.304 65 H GLY 9 H GLY 9 -0.742 -5.118 10.030 66 1HA GLY 9 1HA GLY 9 -1.469 -5.808 12.753 67 2HA GLY 9 2HA GLY 9 0.181 -6.299 12.287 68 HA PRO 10 HA PRO 10 0.004 -1.842 13.866 69 1HB PRO 10 1HB PRO 10 2.560 -1.856 14.997 70 2HB PRO 10 2HB PRO 10 1.018 -2.214 15.814 71 1HG PRO 10 1HG PRO 10 2.991 -4.173 14.640 72 2HG PRO 10 2HG PRO 10 2.127 -4.272 16.201 73 1HD PRO 10 1HD PRO 10 1.279 -5.668 14.077 74 2HD PRO 10 2HD PRO 10 0.077 -4.856 15.118 75 H PHE 11 H PHE 11 2.864 -3.409 12.400 76 HA PHE 11 HA PHE 11 4.111 -1.324 11.069 77 1HB PHE 11 1HB PHE 11 4.960 -3.593 11.139 78 2HB PHE 11 2HB PHE 11 3.560 -4.216 10.277 79 HD1 PHE 11 HD1 PHE 11 6.757 -2.390 9.930 80 HD2 PHE 11 HD2 PHE 11 3.363 -4.079 7.859 81 HE1 PHE 11 HE1 PHE 11 8.043 -2.401 7.817 82 HE2 PHE 11 HE2 PHE 11 4.628 -4.007 5.736 83 HZ PHE 11 HZ PHE 11 6.977 -3.208 5.709 84 H THR 12 H THR 12 1.471 -3.406 9.775 85 HA THR 12 HA THR 12 1.217 -2.033 7.334 86 HB THR 12 HB THR 12 -1.078 -3.653 8.200 87 HG1 THR 12 HG1 THR 12 0.675 -5.518 8.201 88 1HG2 THR 12 1HG2 THR 12 -0.410 -3.288 5.843 89 2HG2 THR 12 2HG2 THR 12 1.119 -4.122 6.154 90 3HG2 THR 12 3HG2 THR 12 -0.410 -5.002 6.264 91 H GLN 13 H GLN 13 -0.518 -1.824 10.428 92 HA GLN 13 HA GLN 13 -2.572 0.044 9.853 93 1HB GLN 13 1HB GLN 13 -1.014 -0.915 12.187 94 2HB GLN 13 2HB GLN 13 -1.608 0.707 12.399 95 1HG GLN 13 1HG GLN 13 -3.415 -1.589 11.538 96 2HG GLN 13 2HG GLN 13 -2.992 -1.319 13.237 97 1HE2 GLN 13 1HE2 GLN 13 -5.690 -1.213 12.400 98 2HE2 GLN 13 2HE2 GLN 13 -6.214 0.455 12.577 99 H ASN 14 H ASN 14 0.834 0.626 10.908 100 HA ASN 14 HA ASN 14 0.730 3.430 10.846 101 1HB ASN 14 1HB ASN 14 2.612 2.152 11.789 102 2HB ASN 14 2HB ASN 14 3.097 1.638 10.170 103 1HD2 ASN 14 1HD2 ASN 14 2.846 4.470 12.328 104 2HD2 ASN 14 2HD2 ASN 14 3.935 5.461 11.374 105 H LEU 15 H LEU 15 1.646 1.191 8.174 106 HA LEU 15 HA LEU 15 1.980 3.347 6.280 107 1HB LEU 15 1HB LEU 15 1.479 0.379 5.878 108 2HB LEU 15 2HB LEU 15 1.681 1.518 4.540 109 HG LEU 15 HG LEU 15 3.762 0.930 6.692 110 1HD1 LEU 15 1HD1 LEU 15 3.424 -0.862 5.007 111 2HD1 LEU 15 2HD1 LEU 15 3.666 0.321 3.702 112 3HD1 LEU 15 3HD1 LEU 15 4.998 -0.076 4.807 113 1HD2 LEU 15 1HD2 LEU 15 3.840 2.843 4.302 114 2HD2 LEU 15 2HD2 LEU 15 4.073 3.272 6.013 115 3HD2 LEU 15 3HD2 LEU 15 5.271 2.301 5.200 116 H GLY 16 H GLY 16 -0.864 1.366 7.111 117 1HA GLY 16 1HA GLY 16 -2.641 2.346 5.141 118 2HA GLY 16 2HA GLY 16 -3.082 1.809 6.769 119 H LYS 17 H LYS 17 -1.959 3.643 8.472 120 HA LYS 17 HA LYS 17 -3.563 5.935 8.339 121 1HB LYS 17 1HB LYS 17 -1.009 5.078 9.777 122 2HB LYS 17 2HB LYS 17 -1.618 6.708 9.929 123 1HG LYS 17 1HG LYS 17 -3.734 5.906 10.837 124 2HG LYS 17 2HG LYS 17 -3.211 4.218 10.618 125 1HD LYS 17 1HD LYS 17 -1.393 4.453 12.142 126 2HD LYS 17 2HD LYS 17 -1.561 6.212 12.229 127 1HE LYS 17 1HE LYS 17 -3.673 4.239 13.230 128 2HE LYS 17 2HE LYS 17 -2.441 4.999 14.255 129 1HZ LYS 17 1HZ LYS 17 -3.317 7.132 13.650 130 2HZ LYS 17 2HZ LYS 17 -4.492 6.436 12.728 131 3HZ LYS 17 3HZ LYS 17 -4.475 6.199 14.357 132 H PHE 18 H PHE 18 -0.036 5.697 7.732 133 HA PHE 18 HA PHE 18 0.350 8.271 6.783 134 1HB PHE 18 1HB PHE 18 2.230 6.780 7.183 135 2HB PHE 18 2HB PHE 18 1.646 5.648 5.971 136 HD1 PHE 18 HD1 PHE 18 2.436 9.348 6.061 137 HD2 PHE 18 HD2 PHE 18 2.879 5.591 3.978 138 HE1 PHE 18 HE1 PHE 18 3.759 10.474 4.295 139 HE2 PHE 18 HE2 PHE 18 4.246 6.720 2.250 140 HZ PHE 18 HZ PHE 18 4.719 9.170 2.431 141 H ALA 19 H ALA 19 -0.775 5.469 4.913 142 HA ALA 19 HA ALA 19 -0.762 6.745 2.370 143 1HB ALA 19 1HB ALA 19 -1.006 4.301 2.688 144 2HB ALA 19 2HB ALA 19 -2.642 4.547 3.330 145 3HB ALA 19 3HB ALA 19 -2.278 4.977 1.648 146 H VAL 20 H VAL 20 -3.365 6.430 4.804 147 HA VAL 20 HA VAL 20 -5.256 8.018 3.289 148 HB VAL 20 HB VAL 20 -5.120 7.299 6.243 149 1HG1 VAL 20 1HG1 VAL 20 -6.394 9.366 6.123 150 2HG1 VAL 20 2HG1 VAL 20 -7.225 8.817 4.653 151 3HG1 VAL 20 3HG1 VAL 20 -7.569 8.049 6.214 152 1HG2 VAL 20 1HG2 VAL 20 -6.855 6.346 3.911 153 2HG2 VAL 20 2HG2 VAL 20 -5.557 5.409 4.677 154 3HG2 VAL 20 3HG2 VAL 20 -7.025 5.812 5.585 155 H ASP 21 H ASP 21 -2.812 8.838 5.780 156 HA ASP 21 HA ASP 21 -3.570 11.523 6.170 157 1HB ASP 21 1HB ASP 21 -2.075 10.376 7.700 158 2HB ASP 21 2HB ASP 21 -0.873 10.141 6.424 159 H GLU 22 H GLU 22 -1.270 10.011 3.898 160 HA GLU 22 HA GLU 22 -0.354 12.422 2.714 161 1HB GLU 22 1HB GLU 22 0.806 10.242 2.689 162 2HB GLU 22 2HB GLU 22 -0.381 9.595 1.550 163 1HG GLU 22 1HG GLU 22 0.437 10.930 -0.217 164 2HG GLU 22 2HG GLU 22 1.084 12.157 0.879 165 H GLU 23 H GLU 23 -2.919 10.052 1.663 166 HA GLU 23 HA GLU 23 -3.693 11.556 -0.599 167 1HB GLU 23 1HB GLU 23 -4.445 9.189 -0.003 168 2HB GLU 23 2HB GLU 23 -5.608 9.929 1.119 169 1HG GLU 23 1HG GLU 23 -6.481 11.307 -0.821 170 2HG GLU 23 2HG GLU 23 -5.338 10.457 -1.880 171 H ASN 24 H ASN 24 -4.781 11.817 2.818 172 HA ASN 24 HA ASN 24 -6.749 13.834 2.454 173 1HB ASN 24 1HB ASN 24 -5.023 12.849 4.765 174 2HB ASN 24 2HB ASN 24 -6.045 14.256 4.918 175 1HD2 ASN 24 1HD2 ASN 24 -6.816 12.730 6.704 176 2HD2 ASN 24 2HD2 ASN 24 -8.216 11.761 6.289 177 H LYS 25 H LYS 25 -3.216 13.972 3.058 178 HA LYS 25 HA LYS 25 -3.049 16.759 3.508 179 1HB LYS 25 1HB LYS 25 -1.285 14.990 3.940 180 2HB LYS 25 2HB LYS 25 -0.930 14.996 2.205 181 1HG LYS 25 1HG LYS 25 -0.386 17.450 2.398 182 2HG LYS 25 2HG LYS 25 -0.729 17.342 4.136 183 1HD LYS 25 1HD LYS 25 1.052 15.536 4.306 184 2HD LYS 25 2HD LYS 25 1.406 15.791 2.592 185 1HE LYS 25 1HE LYS 25 3.036 17.009 3.891 186 2HE LYS 25 2HE LYS 25 1.974 18.192 3.103 187 1HZ LYS 25 1HZ LYS 25 0.792 18.397 5.176 188 2HZ LYS 25 2HZ LYS 25 1.756 17.267 5.889 189 3HZ LYS 25 3HZ LYS 25 2.394 18.707 5.404 190 H ILE 26 H ILE 26 -2.828 14.812 0.509 191 HA ILE 26 HA ILE 26 -2.678 17.091 -1.283 192 HB ILE 26 HB ILE 26 -3.684 14.253 -1.734 193 1HG1 ILE 26 1HG1 ILE 26 -1.008 15.504 -2.499 194 2HG1 ILE 26 2HG1 ILE 26 -1.242 14.556 -1.031 195 1HG2 ILE 26 1HG2 ILE 26 -4.601 15.762 -3.455 196 2HG2 ILE 26 2HG2 ILE 26 -2.992 16.458 -3.728 197 3HG2 ILE 26 3HG2 ILE 26 -3.332 14.774 -4.159 198 1HD1 ILE 26 1HD1 ILE 26 -1.996 12.613 -2.399 199 2HD1 ILE 26 2HD1 ILE 26 -1.541 13.516 -3.864 200 3HD1 ILE 26 3HD1 ILE 26 -0.313 13.102 -2.664 201 H GLY 27 H GLY 27 -5.321 15.215 0.181 202 1HA GLY 27 1HA GLY 27 -7.484 15.862 0.669 203 2HA GLY 27 2HA GLY 27 -7.301 17.346 -0.283 204 H GLN 28 H GLN 28 -6.235 14.261 -1.595 205 HA GLN 28 HA GLN 28 -7.545 14.792 -4.024 206 1HB GLN 28 1HB GLN 28 -5.488 13.302 -3.581 207 2HB GLN 28 2HB GLN 28 -6.636 12.035 -3.120 208 1HG GLN 28 1HG GLN 28 -6.020 11.676 -5.416 209 2HG GLN 28 2HG GLN 28 -7.697 12.226 -5.400 210 1HE2 GLN 28 1HE2 GLN 28 -4.308 13.451 -5.752 211 2HE2 GLN 28 2HE2 GLN 28 -4.742 14.712 -6.892 212 H TYR 29 H TYR 29 -8.562 12.855 -1.272 213 HA TYR 29 HA TYR 29 -11.244 12.462 -2.544 214 1HB TYR 29 1HB TYR 29 -9.436 10.472 -1.601 215 2HB TYR 29 2HB TYR 29 -10.707 10.549 -0.412 216 HD1 TYR 29 HD1 TYR 29 -9.703 8.940 -3.344 217 HD2 TYR 29 HD2 TYR 29 -13.192 10.768 -1.581 218 HE1 TYR 29 HE1 TYR 29 -11.148 7.692 -4.911 219 HE2 TYR 29 HE2 TYR 29 -14.632 9.562 -3.206 220 HH TYR 29 HH TYR 29 -13.366 7.070 -5.344 221 H GLY 30 H GLY 30 -10.262 14.782 -1.135 222 1HA GLY 30 1HA GLY 30 -10.940 16.202 0.542 223 2HA GLY 30 2HA GLY 30 -12.307 15.113 0.881 224 H ARG 31 H ARG 31 -12.074 15.035 3.121 225 HA ARG 31 HA ARG 31 -9.469 14.188 4.302 226 1HB ARG 31 1HB ARG 31 -10.452 16.375 4.966 227 2HB ARG 31 2HB ARG 31 -11.861 15.525 5.613 228 1HG ARG 31 1HG ARG 31 -10.319 14.246 7.150 229 2HG ARG 31 2HG ARG 31 -8.958 15.203 6.528 230 1HD ARG 31 1HD ARG 31 -11.434 16.282 7.945 231 2HD ARG 31 2HD ARG 31 -9.822 16.094 8.669 232 HE ARG 31 HE ARG 31 -9.466 17.672 6.383 233 1HH1 ARG 31 1HH1 ARG 31 -11.164 17.905 9.467 234 2HH1 ARG 31 2HH1 ARG 31 -11.124 19.646 9.526 235 1HH2 ARG 31 1HH2 ARG 31 -9.414 19.948 6.431 236 2HH2 ARG 31 2HH2 ARG 31 -10.101 20.828 7.767 237 H LEU 32 H LEU 32 -9.719 11.916 3.889 238 HA LEU 32 HA LEU 32 -12.116 10.483 4.771 239 1HB LEU 32 1HB LEU 32 -9.300 9.518 4.180 240 2HB LEU 32 2HB LEU 32 -10.699 8.479 4.435 241 HG LEU 32 HG LEU 32 -10.314 10.427 2.123 242 1HD1 LEU 32 1HD1 LEU 32 -8.853 8.430 2.066 243 2HD1 LEU 32 2HD1 LEU 32 -10.271 7.374 2.256 244 3HD1 LEU 32 3HD1 LEU 32 -10.088 8.360 0.788 245 1HD2 LEU 32 1HD2 LEU 32 -12.559 8.440 2.709 246 2HD2 LEU 32 2HD2 LEU 32 -12.712 10.211 2.613 247 3HD2 LEU 32 3HD2 LEU 32 -12.319 9.283 1.166 248 H THR 33 H THR 33 -12.167 9.033 6.610 249 HA THR 33 HA THR 33 -10.320 9.778 8.852 250 HB THR 33 HB THR 33 -13.172 8.742 8.981 251 HG1 THR 33 HG1 THR 33 -12.796 10.984 8.304 252 1HG2 THR 33 1HG2 THR 33 -11.800 8.017 10.924 253 2HG2 THR 33 2HG2 THR 33 -11.249 9.692 11.149 254 3HG2 THR 33 3HG2 THR 33 -12.956 9.276 11.389 255 H PHE 34 H PHE 34 -8.723 8.257 8.602 256 HA PHE 34 HA PHE 34 -8.967 5.611 7.659 257 1HB PHE 34 1HB PHE 34 -6.835 6.578 7.956 258 2HB PHE 34 2HB PHE 34 -7.093 6.912 9.664 259 HD1 PHE 34 HD1 PHE 34 -6.218 4.337 7.150 260 HD2 PHE 34 HD2 PHE 34 -6.914 5.113 11.339 261 HE1 PHE 34 HE1 PHE 34 -5.103 2.209 7.744 262 HE2 PHE 34 HE2 PHE 34 -5.769 3.006 11.912 263 HZ PHE 34 HZ PHE 34 -4.761 1.601 10.106 264 H ASN 35 H ASN 35 -9.445 3.640 8.620 265 HA ASN 35 HA ASN 35 -10.313 3.661 11.501 266 1HB ASN 35 1HB ASN 35 -11.491 2.019 9.234 267 2HB ASN 35 2HB ASN 35 -11.879 1.893 10.934 268 1HD2 ASN 35 1HD2 ASN 35 -11.606 5.133 10.905 269 2HD2 ASN 35 2HD2 ASN 35 -13.240 5.514 10.371 270 H LYS 36 H LYS 36 -9.399 1.263 8.950 271 HA LYS 36 HA LYS 36 -7.036 0.562 10.396 272 1HB LYS 36 1HB LYS 36 -7.529 -1.731 10.991 273 2HB LYS 36 2HB LYS 36 -8.506 -0.638 11.941 274 1HG LYS 36 1HG LYS 36 -9.685 -1.868 9.415 275 2HG LYS 36 2HG LYS 36 -9.454 -2.866 10.853 276 1HD LYS 36 1HD LYS 36 -10.758 -1.247 12.216 277 2HD LYS 36 2HD LYS 36 -11.078 -0.297 10.750 278 1HE LYS 36 1HE LYS 36 -12.240 -2.212 9.727 279 2HE LYS 36 2HE LYS 36 -11.844 -3.230 11.122 280 1HZ LYS 36 1HZ LYS 36 -13.148 -1.782 12.485 281 2HZ LYS 36 2HZ LYS 36 -13.526 -0.827 11.195 282 3HZ LYS 36 3HZ LYS 36 -14.055 -2.388 11.250 283 H VAL 37 H VAL 37 -5.993 -1.413 9.410 284 HA VAL 37 HA VAL 37 -6.430 -1.448 6.475 285 HB VAL 37 HB VAL 37 -4.200 -0.885 7.278 286 1HG1 VAL 37 1HG1 VAL 37 -4.225 -2.220 9.421 287 2HG1 VAL 37 2HG1 VAL 37 -4.044 -3.697 8.456 288 3HG1 VAL 37 3HG1 VAL 37 -2.797 -2.438 8.434 289 1HG2 VAL 37 1HG2 VAL 37 -4.251 -3.608 5.919 290 2HG2 VAL 37 2HG2 VAL 37 -4.473 -2.034 5.130 291 3HG2 VAL 37 3HG2 VAL 37 -2.927 -2.429 5.904 292 H ILE 38 H ILE 38 -6.634 -3.526 5.420 293 HA ILE 38 HA ILE 38 -7.158 -5.884 7.074 294 HB ILE 38 HB ILE 38 -9.416 -6.169 5.766 295 1HG1 ILE 38 1HG1 ILE 38 -10.722 -4.108 5.539 296 2HG1 ILE 38 2HG1 ILE 38 -9.302 -3.116 5.863 297 1HG2 ILE 38 1HG2 ILE 38 -9.156 -6.006 8.235 298 2HG2 ILE 38 2HG2 ILE 38 -9.336 -4.241 8.105 299 3HG2 ILE 38 3HG2 ILE 38 -10.662 -5.308 7.621 300 1HD1 ILE 38 1HD1 ILE 38 -8.264 -4.093 3.766 301 2HD1 ILE 38 2HD1 ILE 38 -9.788 -4.957 3.483 302 3HD1 ILE 38 3HD1 ILE 38 -9.750 -3.177 3.500 303 H ARG 39 H ARG 39 -7.919 -7.702 5.441 304 HA ARG 39 HA ARG 39 -5.757 -7.873 3.492 305 1HB ARG 39 1HB ARG 39 -6.707 -10.156 3.091 306 2HB ARG 39 2HB ARG 39 -6.202 -9.851 4.744 307 1HG ARG 39 1HG ARG 39 -9.091 -9.271 4.218 308 2HG ARG 39 2HG ARG 39 -8.611 -10.935 3.922 309 1HD ARG 39 1HD ARG 39 -7.653 -11.101 6.217 310 2HD ARG 39 2HD ARG 39 -8.106 -9.434 6.532 311 HE ARG 39 HE ARG 39 -10.287 -10.025 6.840 312 1HH1 ARG 39 1HH1 ARG 39 -8.619 -12.739 5.308 313 2HH1 ARG 39 2HH1 ARG 39 -9.927 -13.864 5.554 314 1HH2 ARG 39 1HH2 ARG 39 -12.008 -11.476 7.145 315 2HH2 ARG 39 2HH2 ARG 39 -11.890 -13.127 6.604 316 HA PRO 40 HA PRO 40 -5.521 -9.190 1.470 317 1HB PRO 40 1HB PRO 40 -4.969 -8.692 -1.133 318 2HB PRO 40 2HB PRO 40 -6.275 -9.804 -0.631 319 1HG PRO 40 1HG PRO 40 -6.496 -6.907 -1.441 320 2HG PRO 40 2HG PRO 40 -7.477 -8.275 -2.036 321 1HD PRO 40 1HD PRO 40 -8.351 -6.629 -0.010 322 2HD PRO 40 2HD PRO 40 -8.727 -8.371 -0.026 323 H CYS 41 H CYS 41 -3.280 -8.622 1.208 324 HA CYS 41 HA CYS 41 -2.523 -5.807 0.943 325 1HB CYS 41 1HB CYS 41 -3.236 -5.863 3.271 326 2HB CYS 41 2HB CYS 41 -2.210 -7.303 3.576 327 HG CYS 41 HG CYS 41 0.003 -6.189 2.894 328 H MET 42 H MET 42 -1.150 -6.293 -0.680 329 HA MET 42 HA MET 42 0.645 -8.670 -0.501 330 1HB MET 42 1HB MET 42 -0.638 -7.174 -2.775 331 2HB MET 42 2HB MET 42 0.862 -8.076 -3.017 332 1HG MET 42 1HG MET 42 -1.027 -9.417 -3.605 333 2HG MET 42 2HG MET 42 -0.129 -10.143 -2.272 334 1HE MET 42 1HE MET 42 -3.217 -10.739 -3.463 335 2HE MET 42 2HE MET 42 -2.286 -11.782 -2.371 336 3HE MET 42 3HE MET 42 -3.923 -11.258 -1.919 337 H LYS 43 H LYS 43 2.820 -8.484 -1.126 338 HA LYS 43 HA LYS 43 3.944 -5.785 -1.576 339 1HB LYS 43 1HB LYS 43 4.325 -6.462 0.811 340 2HB LYS 43 2HB LYS 43 5.132 -7.927 0.222 341 1HG LYS 43 1HG LYS 43 6.819 -6.395 -0.971 342 2HG LYS 43 2HG LYS 43 5.984 -5.032 -0.228 343 1HD LYS 43 1HD LYS 43 7.894 -5.492 1.110 344 2HD LYS 43 2HD LYS 43 6.510 -6.118 2.036 345 1HE LYS 43 1HE LYS 43 7.037 -8.420 1.270 346 2HE LYS 43 2HE LYS 43 8.359 -7.792 0.266 347 1HZ LYS 43 1HZ LYS 43 9.422 -7.038 2.262 348 2HZ LYS 43 2HZ LYS 43 8.191 -7.622 3.191 349 3HZ LYS 43 3HZ LYS 43 9.138 -8.658 2.331 350 H LYS 44 H LYS 44 5.542 -5.746 -3.145 351 HA LYS 44 HA LYS 44 6.891 -8.226 -3.831 352 1HB LYS 44 1HB LYS 44 4.954 -8.203 -5.283 353 2HB LYS 44 2HB LYS 44 5.395 -6.636 -5.960 354 1HG LYS 44 1HG LYS 44 7.593 -8.605 -6.181 355 2HG LYS 44 2HG LYS 44 6.104 -9.241 -6.855 356 1HD LYS 44 1HD LYS 44 5.877 -7.337 -8.362 357 2HD LYS 44 2HD LYS 44 7.205 -6.495 -7.562 358 1HE LYS 44 1HE LYS 44 7.993 -7.481 -9.660 359 2HE LYS 44 2HE LYS 44 8.802 -8.234 -8.279 360 1HZ LYS 44 1HZ LYS 44 7.297 -10.075 -8.464 361 2HZ LYS 44 2HZ LYS 44 6.517 -9.371 -9.735 362 3HZ LYS 44 3HZ LYS 44 8.091 -9.840 -9.888 363 H THR 45 H THR 45 8.978 -7.937 -4.598 364 HA THR 45 HA THR 45 10.315 -5.528 -4.081 365 HB THR 45 HB THR 45 11.218 -7.790 -5.907 366 HG1 THR 45 HG1 THR 45 11.775 -8.846 -3.965 367 1HG2 THR 45 1HG2 THR 45 12.814 -5.912 -5.665 368 2HG2 THR 45 2HG2 THR 45 12.735 -6.065 -3.894 369 3HG2 THR 45 3HG2 THR 45 13.426 -7.374 -4.874 370 H ILE 46 H ILE 46 11.075 -3.830 -5.435 371 HA ILE 46 HA ILE 46 10.239 -3.853 -8.287 372 HB ILE 46 HB ILE 46 9.563 -2.031 -6.195 373 1HG1 ILE 46 1HG1 ILE 46 8.011 -1.151 -7.823 374 2HG1 ILE 46 2HG1 ILE 46 8.823 -2.010 -9.140 375 1HG2 ILE 46 1HG2 ILE 46 11.500 -0.679 -6.888 376 2HG2 ILE 46 2HG2 ILE 46 10.918 -0.714 -8.569 377 3HG2 ILE 46 3HG2 ILE 46 9.976 0.100 -7.308 378 1HD1 ILE 46 1HD1 ILE 46 8.048 -4.140 -8.327 379 2HD1 ILE 46 2HD1 ILE 46 7.589 -3.447 -6.754 380 3HD1 ILE 46 3HD1 ILE 46 6.672 -3.045 -8.225 381 H TYR 47 H TYR 47 11.808 -3.601 -9.772 382 HA TYR 47 HA TYR 47 14.549 -2.905 -9.042 383 1HB TYR 47 1HB TYR 47 15.394 -5.142 -9.139 384 2HB TYR 47 2HB TYR 47 14.083 -5.138 -7.963 385 HD1 TYR 47 HD1 TYR 47 11.898 -6.189 -8.504 386 HD2 TYR 47 HD2 TYR 47 15.415 -6.633 -10.953 387 HE1 TYR 47 HE1 TYR 47 11.109 -8.404 -9.245 388 HE2 TYR 47 HE2 TYR 47 14.628 -8.827 -11.705 389 HH TYR 47 HH TYR 47 12.943 -10.423 -11.560 390 H GLU 48 H GLU 48 16.042 -3.836 -10.895 391 HA GLU 48 HA GLU 48 14.659 -4.182 -13.438 392 1HB GLU 48 1HB GLU 48 16.474 -1.845 -12.813 393 2HB GLU 48 2HB GLU 48 16.656 -2.643 -14.378 394 1HG GLU 48 1HG GLU 48 14.224 -2.365 -14.828 395 2HG GLU 48 2HG GLU 48 14.062 -1.469 -13.310 396 H ASN 49 H ASN 49 16.064 -4.906 -14.979 397 HA ASN 49 HA ASN 49 18.180 -6.803 -14.013 398 1HB ASN 49 1HB ASN 49 16.118 -7.898 -14.732 399 2HB ASN 49 2HB ASN 49 16.176 -7.060 -16.288 400 1HD2 ASN 49 1HD2 ASN 49 17.369 -8.006 -17.968 401 2HD2 ASN 49 2HD2 ASN 49 18.423 -9.384 -17.716 402 H GLU 50 H GLU 50 17.161 -4.643 -16.665 403 HA GLU 50 HA GLU 50 19.442 -4.977 -18.329 404 1HB GLU 50 1HB GLU 50 17.594 -2.572 -17.952 405 2HB GLU 50 2HB GLU 50 18.776 -2.760 -19.255 406 1HG GLU 50 1HG GLU 50 17.624 -4.843 -20.007 407 2HG GLU 50 2HG GLU 50 16.387 -4.601 -18.762 408 H GLY 51 H GLY 51 21.326 -3.679 -18.540 409 1HA GLY 51 1HA GLY 51 23.134 -2.476 -17.732 410 2HA GLY 51 2HA GLY 51 22.158 -1.840 -16.402 411 H PHE 52 H PHE 52 21.404 -3.635 -14.840 412 HA PHE 52 HA PHE 52 22.854 -6.076 -14.716 413 1HB PHE 52 1HB PHE 52 24.488 -4.280 -13.773 414 2HB PHE 52 2HB PHE 52 23.409 -4.187 -12.391 415 HD1 PHE 52 HD1 PHE 52 23.809 -5.695 -10.561 416 HD2 PHE 52 HD2 PHE 52 25.324 -6.664 -14.486 417 HE1 PHE 52 HE1 PHE 52 24.975 -7.664 -9.630 418 HE2 PHE 52 HE2 PHE 52 26.451 -8.666 -13.550 419 HZ PHE 52 HZ PHE 52 26.273 -9.173 -11.119 420 H ARG 53 H ARG 53 22.168 -7.340 -12.802 421 HA ARG 53 HA ARG 53 19.352 -7.051 -12.159 422 1HB ARG 53 1HB ARG 53 19.877 -8.883 -10.510 423 2HB ARG 53 2HB ARG 53 20.134 -9.258 -12.218 424 1HG ARG 53 1HG ARG 53 22.536 -9.113 -11.999 425 2HG ARG 53 2HG ARG 53 22.412 -8.442 -10.367 426 1HD ARG 53 1HD ARG 53 21.399 -10.582 -9.581 427 2HD ARG 53 2HD ARG 53 21.527 -11.215 -11.223 428 HE ARG 53 HE ARG 53 23.750 -11.616 -10.936 429 1HH1 ARG 53 1HH1 ARG 53 22.740 -9.356 -8.418 430 2HH1 ARG 53 2HH1 ARG 53 24.210 -9.500 -7.494 431 1HH2 ARG 53 1HH2 ARG 53 25.692 -11.785 -9.772 432 2HH2 ARG 53 2HH2 ARG 53 25.937 -10.876 -8.305 433 H GLU 54 H GLU 54 18.660 -5.327 -10.889 434 HA GLU 54 HA GLU 54 19.918 -5.104 -8.317 435 1HB GLU 54 1HB GLU 54 21.309 -3.641 -9.857 436 2HB GLU 54 2HB GLU 54 19.864 -2.655 -10.138 437 1HG GLU 54 1HG GLU 54 21.359 -1.652 -8.450 438 2HG GLU 54 2HG GLU 54 19.809 -2.071 -7.721 439 H ILE 55 H ILE 55 18.547 -4.777 -6.816 440 HA ILE 55 HA ILE 55 15.762 -4.048 -7.191 441 HB ILE 55 HB ILE 55 17.460 -4.355 -4.696 442 1HG1 ILE 55 1HG1 ILE 55 15.440 -6.246 -6.000 443 2HG1 ILE 55 2HG1 ILE 55 17.197 -6.433 -6.065 444 1HG2 ILE 55 1HG2 ILE 55 15.501 -2.897 -4.260 445 2HG2 ILE 55 2HG2 ILE 55 14.430 -4.110 -4.989 446 3HG2 ILE 55 3HG2 ILE 55 15.296 -4.447 -3.477 447 1HD1 ILE 55 1HD1 ILE 55 17.261 -6.596 -3.571 448 2HD1 ILE 55 2HD1 ILE 55 15.480 -6.643 -3.570 449 3HD1 ILE 55 3HD1 ILE 55 16.396 -7.913 -4.388 450 H LYS 56 H LYS 56 14.807 -2.088 -6.986 451 HA LYS 56 HA LYS 56 16.538 0.222 -6.163 452 1HB LYS 56 1HB LYS 56 15.479 1.640 -7.719 453 2HB LYS 56 2HB LYS 56 16.155 0.248 -8.569 454 1HG LYS 56 1HG LYS 56 13.838 -0.757 -8.656 455 2HG LYS 56 2HG LYS 56 13.216 0.736 -7.916 456 1HD LYS 56 1HD LYS 56 14.187 2.047 -9.793 457 2HD LYS 56 2HD LYS 56 14.741 0.549 -10.564 458 1HE LYS 56 1HE LYS 56 11.834 1.258 -9.962 459 2HE LYS 56 2HE LYS 56 12.630 1.435 -11.536 460 1HZ LYS 56 1HZ LYS 56 12.993 -0.910 -11.584 461 2HZ LYS 56 2HZ LYS 56 12.269 -1.100 -10.120 462 3HZ LYS 56 3HZ LYS 56 11.391 -0.579 -11.412 463 H GLY 57 H GLY 57 13.518 -1.553 -5.663 464 1HA GLY 57 1HA GLY 57 12.963 0.023 -3.326 465 2HA GLY 57 2HA GLY 57 11.934 0.452 -4.718 466 H TYR 58 H TYR 58 10.274 -0.362 -3.087 467 HA TYR 58 HA TYR 58 9.609 -3.157 -3.840 468 1HB TYR 58 1HB TYR 58 8.766 -2.017 -1.189 469 2HB TYR 58 2HB TYR 58 8.689 -3.673 -1.746 470 HD1 TYR 58 HD1 TYR 58 11.453 -4.321 -2.562 471 HD2 TYR 58 HD2 TYR 58 9.977 -2.120 0.835 472 HE1 TYR 58 HE1 TYR 58 13.623 -4.628 -1.422 473 HE2 TYR 58 HE2 TYR 58 12.123 -2.501 2.004 474 HH TYR 58 HH TYR 58 14.304 -3.195 1.778 475 H GLU 59 H GLU 59 7.228 -3.442 -3.762 476 HA GLU 59 HA GLU 59 5.614 -0.953 -3.818 477 1HB GLU 59 1HB GLU 59 5.982 -1.741 -6.137 478 2HB GLU 59 2HB GLU 59 5.284 -3.318 -5.698 479 1HG GLU 59 1HG GLU 59 3.131 -2.177 -5.160 480 2HG GLU 59 2HG GLU 59 3.871 -0.606 -5.527 481 H TYR 60 H TYR 60 3.569 -1.226 -2.819 482 HA TYR 60 HA TYR 60 2.967 -3.831 -1.573 483 1HB TYR 60 1HB TYR 60 2.830 -1.109 -0.229 484 2HB TYR 60 2HB TYR 60 2.184 -2.606 0.420 485 HD1 TYR 60 HD1 TYR 60 3.494 -3.911 1.866 486 HD2 TYR 60 HD2 TYR 60 5.397 -0.939 -0.608 487 HE1 TYR 60 HE1 TYR 60 5.583 -4.165 3.168 488 HE2 TYR 60 HE2 TYR 60 7.521 -1.292 0.611 489 HH TYR 60 HH TYR 60 7.857 -3.774 3.145 490 H GLN 61 H GLN 61 0.765 -4.258 -1.866 491 HA GLN 61 HA GLN 61 -0.950 -2.060 -2.963 492 1HB GLN 61 1HB GLN 61 0.061 -3.490 -4.780 493 2HB GLN 61 2HB GLN 61 -0.794 -4.885 -4.101 494 1HG GLN 61 1HG GLN 61 -2.957 -3.769 -4.520 495 2HG GLN 61 2HG GLN 61 -2.112 -2.281 -4.983 496 1HE2 GLN 61 1HE2 GLN 61 -1.993 -5.792 -5.893 497 2HE2 GLN 61 2HE2 GLN 61 -1.935 -5.469 -7.617 498 H LEU 62 H LEU 62 -2.592 -1.840 -1.472 499 HA LEU 62 HA LEU 62 -3.648 -4.270 -0.158 500 1HB LEU 62 1HB LEU 62 -3.064 -3.427 2.071 501 2HB LEU 62 2HB LEU 62 -1.626 -3.617 1.062 502 HG LEU 62 HG LEU 62 -2.117 -0.987 0.555 503 1HD1 LEU 62 1HD1 LEU 62 -4.069 -0.881 2.131 504 2HD1 LEU 62 2HD1 LEU 62 -2.996 -1.414 3.441 505 3HD1 LEU 62 3HD1 LEU 62 -2.723 0.145 2.646 506 1HD2 LEU 62 1HD2 LEU 62 -0.627 -2.111 2.958 507 2HD2 LEU 62 2HD2 LEU 62 0.006 -1.950 1.305 508 3HD2 LEU 62 3HD2 LEU 62 -0.391 -0.502 2.243 509 H TYR 63 H TYR 63 -5.518 -3.905 1.224 510 HA TYR 63 HA TYR 63 -7.048 -1.518 0.389 511 1HB TYR 63 1HB TYR 63 -7.771 -4.339 1.162 512 2HB TYR 63 2HB TYR 63 -8.887 -3.022 1.442 513 HD1 TYR 63 HD1 TYR 63 -10.048 -1.866 -0.330 514 HD2 TYR 63 HD2 TYR 63 -6.994 -4.744 -1.257 515 HE1 TYR 63 HE1 TYR 63 -10.819 -1.918 -2.669 516 HE2 TYR 63 HE2 TYR 63 -7.844 -4.885 -3.597 517 HH TYR 63 HH TYR 63 -10.553 -2.864 -4.750 518 H VAL 64 H VAL 64 -7.872 -0.172 1.817 519 HA VAL 64 HA VAL 64 -7.330 -0.548 4.700 520 HB VAL 64 HB VAL 64 -5.685 0.932 3.629 521 1HG1 VAL 64 1HG1 VAL 64 -7.095 1.959 1.854 522 2HG1 VAL 64 2HG1 VAL 64 -7.969 2.876 3.105 523 3HG1 VAL 64 3HG1 VAL 64 -6.241 3.152 2.842 524 1HG2 VAL 64 1HG2 VAL 64 -7.542 2.384 5.560 525 2HG2 VAL 64 2HG2 VAL 64 -6.314 1.179 6.005 526 3HG2 VAL 64 3HG2 VAL 64 -5.819 2.720 5.278 527 H TYR 65 H TYR 65 -9.003 -0.125 6.014 528 HA TYR 65 HA TYR 65 -11.583 0.668 4.858 529 1HB TYR 65 1HB TYR 65 -10.727 -0.988 7.097 530 2HB TYR 65 2HB TYR 65 -11.743 0.307 7.692 531 HD1 TYR 65 HD1 TYR 65 -12.052 -2.933 7.130 532 HD2 TYR 65 HD2 TYR 65 -13.798 0.747 5.737 533 HE1 TYR 65 HE1 TYR 65 -14.079 -4.161 6.431 534 HE2 TYR 65 HE2 TYR 65 -15.810 -0.504 4.970 535 HH TYR 65 HH TYR 65 -16.166 -4.015 5.456 536 H ALA 66 H ALA 66 -12.068 2.781 4.831 537 HA ALA 66 HA ALA 66 -11.183 4.540 7.065 538 1HB ALA 66 1HB ALA 66 -9.634 4.945 5.164 539 2HB ALA 66 2HB ALA 66 -11.030 5.261 4.110 540 3HB ALA 66 3HB ALA 66 -10.694 6.329 5.493 541 H SER 67 H SER 67 -12.848 5.667 7.828 542 HA SER 67 HA SER 67 -15.034 6.220 8.242 543 1HB SER 67 1HB SER 67 -14.359 7.939 6.572 544 2HB SER 67 2HB SER 67 -14.992 6.907 5.268 545 HG SER 67 HG SER 67 -17.018 7.002 6.326 546 H ASP 68 H ASP 68 -14.767 3.500 7.918 547 HA ASP 68 HA ASP 68 -15.664 1.558 7.351 548 1HB ASP 68 1HB ASP 68 -17.358 2.524 8.923 549 2HB ASP 68 2HB ASP 68 -18.296 3.060 7.519 550 H LYS 69 H LYS 69 -14.810 3.096 5.044 551 HA LYS 69 HA LYS 69 -16.364 1.571 3.018 552 1HB LYS 69 1HB LYS 69 -15.182 4.369 2.803 553 2HB LYS 69 2HB LYS 69 -15.675 3.374 1.419 554 1HG LYS 69 1HG LYS 69 -17.976 3.249 2.310 555 2HG LYS 69 2HG LYS 69 -17.506 4.253 3.696 556 1HD LYS 69 1HD LYS 69 -16.954 6.127 2.221 557 2HD LYS 69 2HD LYS 69 -17.272 5.139 0.778 558 1HE LYS 69 1HE LYS 69 -19.642 4.887 1.432 559 2HE LYS 69 2HE LYS 69 -19.349 5.825 2.910 560 1HZ LYS 69 1HZ LYS 69 -18.797 7.690 1.548 561 2HZ LYS 69 2HZ LYS 69 -19.032 6.822 0.167 562 3HZ LYS 69 3HZ LYS 69 -20.301 7.142 1.164 563 H LEU 70 H LEU 70 -15.089 0.479 1.557 564 HA LEU 70 HA LEU 70 -12.367 -0.081 2.505 565 1HB LEU 70 1HB LEU 70 -14.397 -1.706 1.665 566 2HB LEU 70 2HB LEU 70 -13.599 -1.435 0.129 567 HG LEU 70 HG LEU 70 -11.400 -2.072 1.473 568 1HD1 LEU 70 1HD1 LEU 70 -12.371 -2.107 3.709 569 2HD1 LEU 70 2HD1 LEU 70 -13.635 -3.247 3.191 570 3HD1 LEU 70 3HD1 LEU 70 -11.953 -3.771 3.260 571 1HD2 LEU 70 1HD2 LEU 70 -13.518 -4.142 0.746 572 2HD2 LEU 70 2HD2 LEU 70 -12.359 -3.401 -0.378 573 3HD2 LEU 70 3HD2 LEU 70 -11.774 -4.447 0.924 574 H PHE 71 H PHE 71 -10.688 1.079 1.607 575 HA PHE 71 HA PHE 71 -10.910 1.994 -1.247 576 1HB PHE 71 1HB PHE 71 -9.465 3.222 1.125 577 2HB PHE 71 2HB PHE 71 -9.136 3.624 -0.554 578 HD1 PHE 71 HD1 PHE 71 -10.585 5.047 -1.854 579 HD2 PHE 71 HD2 PHE 71 -11.718 3.824 2.126 580 HE1 PHE 71 HE1 PHE 71 -12.165 6.947 -1.718 581 HE2 PHE 71 HE2 PHE 71 -13.326 5.707 2.242 582 HZ PHE 71 HZ PHE 71 -13.572 7.261 0.311 583 H ARG 72 H ARG 72 -8.915 1.866 -2.427 584 HA ARG 72 HA ARG 72 -7.105 -0.307 -1.479 585 1HB ARG 72 1HB ARG 72 -8.621 -0.686 -3.507 586 2HB ARG 72 2HB ARG 72 -7.639 0.487 -4.366 587 1HG ARG 72 1HG ARG 72 -6.305 -1.834 -2.919 588 2HG ARG 72 2HG ARG 72 -7.138 -2.137 -4.442 589 1HD ARG 72 1HD ARG 72 -4.955 -0.026 -4.217 590 2HD ARG 72 2HD ARG 72 -4.696 -1.730 -4.615 591 HE ARG 72 HE ARG 72 -6.762 -0.493 -6.248 592 1HH1 ARG 72 1HH1 ARG 72 -3.293 -0.753 -5.892 593 2HH1 ARG 72 2HH1 ARG 72 -2.982 -1.273 -7.523 594 1HH2 ARG 72 1HH2 ARG 72 -6.380 -0.712 -8.504 595 2HH2 ARG 72 2HH2 ARG 72 -4.752 -0.884 -9.106 596 H ALA 73 H ALA 73 -4.906 0.169 -1.463 597 HA ALA 73 HA ALA 73 -3.999 2.743 -2.639 598 1HB ALA 73 1HB ALA 73 -4.396 3.085 -0.212 599 2HB ALA 73 2HB ALA 73 -3.280 1.746 0.143 600 3HB ALA 73 3HB ALA 73 -2.687 3.218 -0.666 601 H ASP 74 H ASP 74 -2.085 2.599 -3.649 602 HA ASP 74 HA ASP 74 -0.430 0.131 -3.368 603 1HB ASP 74 1HB ASP 74 -1.427 0.281 -5.593 604 2HB ASP 74 2HB ASP 74 -0.713 1.892 -5.823 605 H ILE 75 H ILE 75 1.318 0.572 -2.332 606 HA ILE 75 HA ILE 75 2.362 3.356 -2.074 607 HB ILE 75 HB ILE 75 2.893 1.070 -0.160 608 1HG1 ILE 75 1HG1 ILE 75 0.488 1.161 -0.106 609 2HG1 ILE 75 2HG1 ILE 75 1.162 1.822 1.374 610 1HG2 ILE 75 1HG2 ILE 75 4.366 2.982 0.075 611 2HG2 ILE 75 2HG2 ILE 75 2.980 4.070 0.269 612 3HG2 ILE 75 3HG2 ILE 75 3.320 2.828 1.485 613 1HD1 ILE 75 1HD1 ILE 75 0.734 4.128 0.583 614 2HD1 ILE 75 2HD1 ILE 75 0.089 3.485 -0.945 615 3HD1 ILE 75 3HD1 ILE 75 -0.733 3.138 0.583 616 H SER 76 H SER 76 4.773 3.439 -2.121 617 HA SER 76 HA SER 76 6.110 0.884 -2.788 618 1HB SER 76 1HB SER 76 6.015 3.274 -4.578 619 2HB SER 76 2HB SER 76 7.648 2.704 -4.214 620 HG SER 76 HG SER 76 7.010 0.611 -4.827 621 H GLU 77 H GLU 77 8.393 0.997 -2.507 622 HA GLU 77 HA GLU 77 9.332 2.874 -0.402 623 1HB GLU 77 1HB GLU 77 8.915 0.657 0.556 624 2HB GLU 77 2HB GLU 77 9.907 -0.099 -0.685 625 1HG GLU 77 1HG GLU 77 11.200 2.064 0.982 626 2HG GLU 77 2HG GLU 77 10.797 0.545 1.787 627 H ASP 78 H ASP 78 11.289 3.823 -0.946 628 HA ASP 78 HA ASP 78 12.633 2.987 -3.487 629 1HB ASP 78 1HB ASP 78 12.309 5.647 -2.045 630 2HB ASP 78 2HB ASP 78 13.682 5.329 -3.110 631 H TYR 79 H TYR 79 14.355 1.778 -3.107 632 HA TYR 79 HA TYR 79 15.237 1.072 -0.562 633 1HB TYR 79 1HB TYR 79 15.479 -0.252 -2.634 634 2HB TYR 79 2HB TYR 79 16.699 0.878 -3.223 635 HD1 TYR 79 HD1 TYR 79 18.993 0.525 -2.669 636 HD2 TYR 79 HD2 TYR 79 15.913 -1.496 -0.422 637 HE1 TYR 79 HE1 TYR 79 20.720 -0.813 -1.495 638 HE2 TYR 79 HE2 TYR 79 17.640 -2.825 0.748 639 HH TYR 79 HH TYR 79 19.895 -3.247 0.985 640 H LYS 80 H LYS 80 16.397 3.649 -2.681 641 HA LYS 80 HA LYS 80 18.962 4.092 -1.704 642 1HB LYS 80 1HB LYS 80 16.861 5.941 -2.930 643 2HB LYS 80 2HB LYS 80 18.508 6.438 -2.554 644 1HG LYS 80 1HG LYS 80 19.386 4.596 -4.008 645 2HG LYS 80 2HG LYS 80 17.721 4.263 -4.532 646 1HD LYS 80 1HD LYS 80 17.513 6.589 -5.370 647 2HD LYS 80 2HD LYS 80 19.133 6.971 -4.755 648 1HE LYS 80 1HE LYS 80 20.112 5.253 -6.282 649 2HE LYS 80 2HE LYS 80 18.494 4.950 -6.950 650 1HZ LYS 80 1HZ LYS 80 18.435 7.242 -7.640 651 2HZ LYS 80 2HZ LYS 80 19.934 7.513 -7.010 652 3HZ LYS 80 3HZ LYS 80 19.750 6.479 -8.278 653 H THR 81 H THR 81 15.911 4.897 -0.166 654 HA THR 81 HA THR 81 17.545 5.698 2.171 655 HB THR 81 HB THR 81 15.212 7.481 1.398 656 HG1 THR 81 HG1 THR 81 17.889 7.527 0.539 657 1HG2 THR 81 1HG2 THR 81 16.026 7.718 3.739 658 2HG2 THR 81 2HG2 THR 81 17.686 7.926 3.142 659 3HG2 THR 81 3HG2 THR 81 16.445 9.139 2.777 660 H ARG 82 H ARG 82 15.635 3.490 1.102 661 HA ARG 82 HA ARG 82 13.888 2.266 1.754 662 1HB ARG 82 1HB ARG 82 15.600 2.002 3.696 663 2HB ARG 82 2HB ARG 82 14.497 3.033 4.622 664 1HG ARG 82 1HG ARG 82 12.662 1.273 3.884 665 2HG ARG 82 2HG ARG 82 14.046 0.249 3.483 666 1HD ARG 82 1HD ARG 82 13.482 1.515 6.196 667 2HD ARG 82 2HD ARG 82 13.137 -0.169 5.747 668 HE ARG 82 HE ARG 82 15.880 0.356 5.225 669 1HH1 ARG 82 1HH1 ARG 82 13.679 0.038 7.959 670 2HH1 ARG 82 2HH1 ARG 82 14.886 -0.584 9.053 671 1HH2 ARG 82 1HH2 ARG 82 17.481 -0.449 6.636 672 2HH2 ARG 82 2HH2 ARG 82 17.092 -0.859 8.284 673 H GLY 83 H GLY 83 13.239 4.942 1.029 674 1HA GLY 83 1HA GLY 83 11.370 6.000 3.103 675 2HA GLY 83 2HA GLY 83 11.917 6.844 1.657 676 H ARG 84 H ARG 84 9.161 5.760 2.861 677 HA ARG 84 HA ARG 84 8.249 4.478 0.364 678 1HB ARG 84 1HB ARG 84 6.796 4.626 2.984 679 2HB ARG 84 2HB ARG 84 6.309 3.711 1.573 680 1HG ARG 84 1HG ARG 84 8.799 2.649 1.926 681 2HG ARG 84 2HG ARG 84 8.383 3.016 3.601 682 1HD ARG 84 1HD ARG 84 6.172 1.773 3.206 683 2HD ARG 84 2HD ARG 84 6.736 1.408 1.581 684 HE ARG 84 HE ARG 84 8.015 -0.284 2.368 685 1HH1 ARG 84 1HH1 ARG 84 7.346 1.833 5.105 686 2HH1 ARG 84 2HH1 ARG 84 7.806 0.659 6.309 687 1HH2 ARG 84 1HH2 ARG 84 8.552 -1.823 3.866 688 2HH2 ARG 84 2HH2 ARG 84 8.659 -1.433 5.577 689 H LYS 85 H LYS 85 6.042 4.863 -0.262 690 HA LYS 85 HA LYS 85 5.037 7.601 -0.007 691 1HB LYS 85 1HB LYS 85 5.622 8.297 -2.272 692 2HB LYS 85 2HB LYS 85 7.090 7.895 -1.361 693 1HG LYS 85 1HG LYS 85 6.679 5.480 -2.470 694 2HG LYS 85 2HG LYS 85 5.790 6.422 -3.663 695 1HD LYS 85 1HD LYS 85 8.709 6.796 -2.817 696 2HD LYS 85 2HD LYS 85 8.133 5.930 -4.241 697 1HE LYS 85 1HE LYS 85 8.846 8.025 -5.049 698 2HE LYS 85 2HE LYS 85 7.076 8.086 -5.072 699 1HZ LYS 85 1HZ LYS 85 7.176 9.350 -3.043 700 2HZ LYS 85 2HZ LYS 85 8.818 9.227 -2.991 701 3HZ LYS 85 3HZ LYS 85 8.091 10.079 -4.202 702 H LEU 86 H LEU 86 2.960 7.840 -0.767 703 HA LEU 86 HA LEU 86 1.461 5.570 -1.693 704 1HB LEU 86 1HB LEU 86 0.450 7.459 -0.486 705 2HB LEU 86 2HB LEU 86 0.972 8.577 -1.758 706 HG LEU 86 HG LEU 86 -0.544 7.525 -3.376 707 1HD1 LEU 86 1HD1 LEU 86 -0.615 5.221 -2.536 708 2HD1 LEU 86 2HD1 LEU 86 -1.369 5.764 -1.020 709 3HD1 LEU 86 3HD1 LEU 86 -2.237 5.892 -2.566 710 1HD2 LEU 86 1HD2 LEU 86 -1.899 8.277 -0.748 711 2HD2 LEU 86 2HD2 LEU 86 -1.282 9.422 -1.957 712 3HD2 LEU 86 3HD2 LEU 86 -2.626 8.349 -2.366 713 H LEU 87 H LEU 87 1.523 4.739 -3.771 714 HA LEU 87 HA LEU 87 2.657 6.364 -5.975 715 1HB LEU 87 1HB LEU 87 2.294 3.484 -5.419 716 2HB LEU 87 2HB LEU 87 1.780 3.926 -7.041 717 HG LEU 87 HG LEU 87 4.499 4.627 -5.880 718 1HD1 LEU 87 1HD1 LEU 87 4.148 2.170 -6.043 719 2HD1 LEU 87 2HD1 LEU 87 3.670 2.348 -7.741 720 3HD1 LEU 87 3HD1 LEU 87 5.330 2.733 -7.241 721 1HD2 LEU 87 1HD2 LEU 87 3.428 4.646 -8.748 722 2HD2 LEU 87 2HD2 LEU 87 3.842 6.086 -7.800 723 3HD2 LEU 87 3HD2 LEU 87 5.109 4.952 -8.275 724 H ARG 88 H ARG 88 -0.316 4.436 -5.258 725 HA ARG 88 HA ARG 88 -1.965 6.533 -6.493 726 1HB ARG 88 1HB ARG 88 -1.761 3.712 -7.662 727 2HB ARG 88 2HB ARG 88 -3.210 4.699 -7.796 728 1HG ARG 88 1HG ARG 88 -2.342 5.349 -9.736 729 2HG ARG 88 2HG ARG 88 -1.527 6.543 -8.734 730 1HD ARG 88 1HD ARG 88 0.102 5.619 -10.255 731 2HD ARG 88 2HD ARG 88 0.482 5.005 -8.665 732 HE ARG 88 HE ARG 88 0.023 2.867 -9.322 733 1HH1 ARG 88 1HH1 ARG 88 -1.315 5.077 -11.729 734 2HH1 ARG 88 2HH1 ARG 88 -1.588 3.842 -12.927 735 1HH2 ARG 88 1HH2 ARG 88 -0.330 1.238 -10.868 736 2HH2 ARG 88 2HH2 ARG 88 -1.033 1.614 -12.417 737 H PHE 89 H PHE 89 -4.227 6.249 -6.027 738 HA PHE 89 HA PHE 89 -4.883 4.408 -3.815 739 1HB PHE 89 1HB PHE 89 -4.262 6.954 -3.217 740 2HB PHE 89 2HB PHE 89 -5.883 7.250 -3.792 741 HD1 PHE 89 HD1 PHE 89 -3.830 6.199 -1.009 742 HD2 PHE 89 HD2 PHE 89 -7.844 6.089 -2.594 743 HE1 PHE 89 HE1 PHE 89 -4.719 5.888 1.267 744 HE2 PHE 89 HE2 PHE 89 -8.717 5.959 -0.281 745 HZ PHE 89 HZ PHE 89 -7.173 5.734 1.633 746 H ASN 90 H ASN 90 -7.177 3.869 -3.878 747 HA ASN 90 HA ASN 90 -8.823 4.877 -6.100 748 1HB ASN 90 1HB ASN 90 -7.434 3.281 -7.283 749 2HB ASN 90 2HB ASN 90 -7.613 2.089 -5.985 750 1HD2 ASN 90 1HD2 ASN 90 -9.629 3.971 -8.340 751 2HD2 ASN 90 2HD2 ASN 90 -10.757 2.652 -8.602 752 H GLY 91 H GLY 91 -10.971 3.830 -6.061 753 1HA GLY 91 1HA GLY 91 -12.575 2.462 -4.902 754 2HA GLY 91 2HA GLY 91 -11.764 2.821 -3.369 755 HA PRO 92 HA PRO 92 -13.320 3.035 -1.844 756 1HB PRO 92 1HB PRO 92 -15.899 3.174 -1.023 757 2HB PRO 92 2HB PRO 92 -14.676 4.399 -0.575 758 1HG PRO 92 1HG PRO 92 -16.700 4.548 -2.829 759 2HG PRO 92 2HG PRO 92 -16.371 5.785 -1.577 760 1HD PRO 92 1HD PRO 92 -15.243 5.881 -4.064 761 2HD PRO 92 2HD PRO 92 -14.338 6.409 -2.620 762 H VAL 93 H VAL 93 -14.353 0.891 -1.740 763 HA VAL 93 HA VAL 93 -16.167 0.195 -3.982 764 HB VAL 93 HB VAL 93 -15.137 -1.965 -4.257 765 1HG1 VAL 93 1HG1 VAL 93 -14.239 -0.034 -5.578 766 2HG1 VAL 93 2HG1 VAL 93 -12.927 0.121 -4.387 767 3HG1 VAL 93 3HG1 VAL 93 -13.078 -1.356 -5.352 768 1HG2 VAL 93 1HG2 VAL 93 -13.055 -1.149 -2.200 769 2HG2 VAL 93 2HG2 VAL 93 -14.293 -2.412 -1.997 770 3HG2 VAL 93 3HG2 VAL 93 -13.029 -2.613 -3.207 771 HA PRO 94 HA PRO 94 -18.500 -1.312 -0.501 772 1HB PRO 94 1HB PRO 94 -20.141 -3.194 -1.644 773 2HB PRO 94 2HB PRO 94 -20.324 -1.441 -1.958 774 1HG PRO 94 1HG PRO 94 -18.843 -3.480 -3.647 775 2HG PRO 94 2HG PRO 94 -20.074 -2.300 -4.193 776 1HD PRO 94 1HD PRO 94 -17.415 -1.804 -4.419 777 2HD PRO 94 2HD PRO 94 -18.545 -0.492 -3.979 778 HA PRO 95 HA PRO 95 -16.324 -5.090 0.640 779 1HB PRO 95 1HB PRO 95 -17.962 -6.183 2.554 780 2HB PRO 95 2HB PRO 95 -17.021 -4.687 2.833 781 1HG PRO 95 1HG PRO 95 -19.920 -4.912 1.969 782 2HG PRO 95 2HG PRO 95 -19.255 -3.932 3.311 783 1HD PRO 95 1HD PRO 95 -19.751 -2.868 0.854 784 2HD PRO 95 2HD PRO 95 -18.319 -2.356 1.797 785 HA PRO 96 HA PRO 96 -18.300 -8.132 -1.977 786 1HB PRO 96 1HB PRO 96 -17.249 -10.505 -1.102 787 2HB PRO 96 2HB PRO 96 -16.282 -9.275 -1.964 788 1HG PRO 96 1HG PRO 96 -16.492 -9.682 1.034 789 2HG PRO 96 2HG PRO 96 -15.002 -9.535 0.056 790 1HD PRO 96 1HD PRO 96 -16.053 -7.403 1.371 791 2HD PRO 96 2HD PRO 96 -15.352 -7.198 -0.263 Start of MODEL 6 1 1H GLY 1 1H GLY 1 9.050 -8.174 -1.808 2 2H GLY 1 2H GLY 1 10.353 -7.920 -2.783 3 3H GLY 1 3H GLY 1 10.572 -8.096 -1.147 4 1HA GLY 1 1HA GLY 1 11.232 -10.063 -2.343 5 2HA GLY 1 2HA GLY 1 9.839 -10.371 -1.283 6 H GLU 2 H GLU 2 9.686 -12.243 -2.899 7 HA GLU 2 HA GLU 2 8.490 -11.725 -5.503 8 1HB GLU 2 1HB GLU 2 8.417 -14.175 -3.679 9 2HB GLU 2 2HB GLU 2 7.856 -14.126 -5.355 10 1HG GLU 2 1HG GLU 2 10.146 -13.533 -6.120 11 2HG GLU 2 2HG GLU 2 10.732 -13.616 -4.452 12 H TRP 3 H TRP 3 6.143 -12.403 -5.897 13 HA TRP 3 HA TRP 3 4.348 -10.849 -4.398 14 1HB TRP 3 1HB TRP 3 3.972 -13.175 -6.291 15 2HB TRP 3 2HB TRP 3 2.608 -12.474 -5.435 16 HD1 TRP 3 HD1 TRP 3 4.112 -12.184 -8.646 17 HE1 TRP 3 HE1 TRP 3 3.508 -9.996 -9.810 18 HE3 TRP 3 HE3 TRP 3 2.370 -9.552 -4.596 19 HZ2 TRP 3 HZ2 TRP 3 2.438 -7.404 -9.083 20 HZ3 TRP 3 HZ3 TRP 3 1.732 -7.179 -4.848 21 HH2 TRP 3 HH2 TRP 3 1.665 -6.125 -7.093 22 H GLU 4 H GLU 4 3.835 -11.076 -2.282 23 HA GLU 4 HA GLU 4 2.772 -13.633 -1.375 24 1HB GLU 4 1HB GLU 4 5.198 -13.847 -0.943 25 2HB GLU 4 2HB GLU 4 5.177 -12.328 -0.025 26 1HG GLU 4 1HG GLU 4 5.272 -14.326 1.413 27 2HG GLU 4 2HG GLU 4 3.821 -13.388 1.724 28 H ILE 5 H ILE 5 1.631 -13.405 0.622 29 HA ILE 5 HA ILE 5 0.359 -10.792 0.883 30 HB ILE 5 HB ILE 5 -0.181 -13.230 2.563 31 1HG1 ILE 5 1HG1 ILE 5 -0.368 -14.170 0.380 32 2HG1 ILE 5 2HG1 ILE 5 -1.986 -13.894 1.001 33 1HG2 ILE 5 1HG2 ILE 5 -1.251 -11.188 3.320 34 2HG2 ILE 5 2HG2 ILE 5 -1.935 -10.893 1.714 35 3HG2 ILE 5 3HG2 ILE 5 -2.474 -12.286 2.676 36 1HD1 ILE 5 1HD1 ILE 5 -2.132 -11.801 -0.392 37 2HD1 ILE 5 2HD1 ILE 5 -0.525 -12.194 -1.052 38 3HD1 ILE 5 3HD1 ILE 5 -1.891 -13.277 -1.342 39 H ILE 6 H ILE 6 0.662 -9.450 2.732 40 HA ILE 6 HA ILE 6 2.707 -10.335 4.730 41 HB ILE 6 HB ILE 6 2.954 -8.000 5.276 42 1HG1 ILE 6 1HG1 ILE 6 1.234 -7.311 2.868 43 2HG1 ILE 6 2HG1 ILE 6 0.678 -7.205 4.552 44 1HG2 ILE 6 1HG2 ILE 6 4.387 -9.150 3.594 45 2HG2 ILE 6 2HG2 ILE 6 3.340 -8.529 2.301 46 3HG2 ILE 6 3HG2 ILE 6 4.271 -7.409 3.321 47 1HD1 ILE 6 1HD1 ILE 6 2.530 -5.600 5.021 48 2HD1 ILE 6 2HD1 ILE 6 2.947 -5.627 3.294 49 3HD1 ILE 6 3HD1 ILE 6 1.368 -5.024 3.799 50 H ASP 7 H ASP 7 2.340 -9.881 6.952 51 HA ASP 7 HA ASP 7 -0.294 -10.463 7.899 52 1HB ASP 7 1HB ASP 7 2.146 -9.322 9.343 53 2HB ASP 7 2HB ASP 7 0.700 -9.973 10.121 54 H ILE 8 H ILE 8 -1.710 -9.077 8.975 55 HA ILE 8 HA ILE 8 -1.438 -6.176 8.536 56 HB ILE 8 HB ILE 8 -3.909 -6.521 9.528 57 1HG1 ILE 8 1HG1 ILE 8 -5.077 -8.257 8.222 58 2HG1 ILE 8 2HG1 ILE 8 -3.543 -9.014 7.813 59 1HG2 ILE 8 1HG2 ILE 8 -3.258 -5.220 7.560 60 2HG2 ILE 8 2HG2 ILE 8 -2.979 -6.719 6.642 61 3HG2 ILE 8 3HG2 ILE 8 -4.621 -6.257 7.129 62 1HD1 ILE 8 1HD1 ILE 8 -4.666 -8.596 10.632 63 2HD1 ILE 8 2HD1 ILE 8 -4.742 -10.107 9.706 64 3HD1 ILE 8 3HD1 ILE 8 -3.179 -9.490 10.249 65 H GLY 9 H GLY 9 -1.037 -4.858 10.236 66 1HA GLY 9 1HA GLY 9 -1.592 -5.403 12.975 67 2HA GLY 9 2HA GLY 9 0.070 -5.891 12.545 68 HA PRO 10 HA PRO 10 -0.296 -1.307 13.610 69 1HB PRO 10 1HB PRO 10 2.178 -1.088 14.892 70 2HB PRO 10 2HB PRO 10 0.618 -1.474 15.667 71 1HG PRO 10 1HG PRO 10 2.750 -3.404 14.740 72 2HG PRO 10 2HG PRO 10 1.854 -3.409 16.286 73 1HD PRO 10 1HD PRO 10 1.132 -5.039 14.281 74 2HD PRO 10 2HD PRO 10 -0.138 -4.198 15.216 75 H PHE 11 H PHE 11 2.651 -2.983 12.417 76 HA PHE 11 HA PHE 11 3.854 -0.924 10.978 77 1HB PHE 11 1HB PHE 11 4.919 -3.059 11.281 78 2HB PHE 11 2HB PHE 11 3.611 -3.910 10.469 79 HD1 PHE 11 HD1 PHE 11 6.433 -1.521 9.898 80 HD2 PHE 11 HD2 PHE 11 3.608 -4.250 8.103 81 HE1 PHE 11 HE1 PHE 11 7.724 -1.480 7.780 82 HE2 PHE 11 HE2 PHE 11 4.907 -4.203 5.997 83 HZ PHE 11 HZ PHE 11 6.981 -2.840 5.838 84 H THR 12 H THR 12 1.446 -3.325 9.722 85 HA THR 12 HA THR 12 1.312 -2.252 7.144 86 HB THR 12 HB THR 12 -1.034 -3.701 8.292 87 HG1 THR 12 HG1 THR 12 0.660 -5.606 8.172 88 1HG2 THR 12 1HG2 THR 12 -0.699 -3.454 5.870 89 2HG2 THR 12 2HG2 THR 12 0.864 -4.282 5.995 90 3HG2 THR 12 3HG2 THR 12 -0.641 -5.166 6.332 91 H GLN 13 H GLN 13 -0.712 -1.785 10.039 92 HA GLN 13 HA GLN 13 -2.626 0.003 8.970 93 1HB GLN 13 1HB GLN 13 -1.358 -0.354 11.718 94 2HB GLN 13 2HB GLN 13 -2.524 0.909 11.379 95 1HG GLN 13 1HG GLN 13 -4.125 -0.888 10.535 96 2HG GLN 13 2HG GLN 13 -2.971 -2.090 11.118 97 1HE2 GLN 13 1HE2 GLN 13 -5.231 0.519 12.106 98 2HE2 GLN 13 2HE2 GLN 13 -5.274 0.041 13.785 99 H ASN 14 H ASN 14 0.560 0.706 10.523 100 HA ASN 14 HA ASN 14 0.496 3.462 10.235 101 1HB ASN 14 1HB ASN 14 2.187 2.109 11.486 102 2HB ASN 14 2HB ASN 14 2.985 1.727 9.955 103 1HD2 ASN 14 1HD2 ASN 14 4.611 2.842 11.708 104 2HD2 ASN 14 2HD2 ASN 14 4.857 4.549 11.373 105 H LEU 15 H LEU 15 1.635 1.050 7.804 106 HA LEU 15 HA LEU 15 2.372 3.068 5.878 107 1HB LEU 15 1HB LEU 15 1.661 0.138 5.579 108 2HB LEU 15 2HB LEU 15 2.166 1.144 4.217 109 HG LEU 15 HG LEU 15 3.863 0.796 6.732 110 1HD1 LEU 15 1HD1 LEU 15 3.561 -1.380 5.667 111 2HD1 LEU 15 2HD1 LEU 15 3.971 -0.693 4.076 112 3HD1 LEU 15 3HD1 LEU 15 5.201 -0.773 5.354 113 1HD2 LEU 15 1HD2 LEU 15 4.541 1.797 3.922 114 2HD2 LEU 15 2HD2 LEU 15 4.455 2.812 5.375 115 3HD2 LEU 15 3HD2 LEU 15 5.691 1.565 5.246 116 H GLY 16 H GLY 16 -0.655 1.150 6.200 117 1HA GLY 16 1HA GLY 16 -1.995 2.396 3.964 118 2HA GLY 16 2HA GLY 16 -2.779 1.601 5.335 119 H LYS 17 H LYS 17 -1.530 3.323 7.238 120 HA LYS 17 HA LYS 17 -3.551 5.358 7.528 121 1HB LYS 17 1HB LYS 17 -2.214 4.046 9.367 122 2HB LYS 17 2HB LYS 17 -0.952 5.239 9.134 123 1HG LYS 17 1HG LYS 17 -3.790 5.599 10.099 124 2HG LYS 17 2HG LYS 17 -2.275 5.859 10.982 125 1HD LYS 17 1HD LYS 17 -1.755 7.692 9.267 126 2HD LYS 17 2HD LYS 17 -3.415 7.463 8.664 127 1HE LYS 17 1HE LYS 17 -3.455 9.360 10.140 128 2HE LYS 17 2HE LYS 17 -4.322 8.027 10.921 129 1HZ LYS 17 1HZ LYS 17 -2.349 7.608 12.218 130 2HZ LYS 17 2HZ LYS 17 -1.547 8.838 11.468 131 3HZ LYS 17 3HZ LYS 17 -2.855 9.163 12.417 132 H PHE 18 H PHE 18 -0.041 5.403 7.216 133 HA PHE 18 HA PHE 18 0.482 8.067 6.586 134 1HB PHE 18 1HB PHE 18 2.271 6.567 7.045 135 2HB PHE 18 2HB PHE 18 1.746 5.426 5.826 136 HD1 PHE 18 HD1 PHE 18 3.367 8.749 6.269 137 HD2 PHE 18 HD2 PHE 18 2.416 5.527 3.558 138 HE1 PHE 18 HE1 PHE 18 5.080 9.575 4.675 139 HE2 PHE 18 HE2 PHE 18 4.113 6.365 1.969 140 HZ PHE 18 HZ PHE 18 5.504 8.348 2.568 141 H ALA 19 H ALA 19 -0.490 5.419 4.398 142 HA ALA 19 HA ALA 19 -0.463 6.909 1.988 143 1HB ALA 19 1HB ALA 19 -0.738 4.432 2.197 144 2HB ALA 19 2HB ALA 19 -2.420 4.675 2.680 145 3HB ALA 19 3HB ALA 19 -1.899 5.177 1.088 146 H VAL 20 H VAL 20 -3.155 6.325 4.246 147 HA VAL 20 HA VAL 20 -5.028 8.075 2.952 148 HB VAL 20 HB VAL 20 -4.865 7.060 5.802 149 1HG1 VAL 20 1HG1 VAL 20 -6.167 9.114 5.944 150 2HG1 VAL 20 2HG1 VAL 20 -7.059 8.707 4.462 151 3HG1 VAL 20 3HG1 VAL 20 -7.303 7.763 5.941 152 1HG2 VAL 20 1HG2 VAL 20 -6.741 6.379 3.481 153 2HG2 VAL 20 2HG2 VAL 20 -5.331 5.409 3.926 154 3HG2 VAL 20 3HG2 VAL 20 -6.681 5.576 5.062 155 H ASP 21 H ASP 21 -2.552 8.718 5.437 156 HA ASP 21 HA ASP 21 -3.372 11.354 6.073 157 1HB ASP 21 1HB ASP 21 -1.885 10.113 7.520 158 2HB ASP 21 2HB ASP 21 -0.655 10.001 6.257 159 H GLU 22 H GLU 22 -1.008 10.084 3.722 160 HA GLU 22 HA GLU 22 -0.197 12.578 2.616 161 1HB GLU 22 1HB GLU 22 0.811 10.186 2.411 162 2HB GLU 22 2HB GLU 22 -0.330 9.946 1.085 163 1HG GLU 22 1HG GLU 22 1.822 12.111 1.309 164 2HG GLU 22 2HG GLU 22 1.932 10.641 0.336 165 H GLU 23 H GLU 23 -2.744 10.225 1.710 166 HA GLU 23 HA GLU 23 -3.764 11.564 -0.540 167 1HB GLU 23 1HB GLU 23 -4.243 9.223 0.291 168 2HB GLU 23 2HB GLU 23 -5.375 9.916 1.463 169 1HG GLU 23 1HG GLU 23 -5.561 10.321 -1.557 170 2HG GLU 23 2HG GLU 23 -6.348 9.010 -0.667 171 H ASN 24 H ASN 24 -4.745 11.822 2.909 172 HA ASN 24 HA ASN 24 -6.724 13.815 2.694 173 1HB ASN 24 1HB ASN 24 -4.806 12.898 4.886 174 2HB ASN 24 2HB ASN 24 -5.902 14.239 5.106 175 1HD2 ASN 24 1HD2 ASN 24 -6.330 12.509 6.945 176 2HD2 ASN 24 2HD2 ASN 24 -7.735 11.503 6.629 177 H LYS 25 H LYS 25 -3.151 14.021 3.141 178 HA LYS 25 HA LYS 25 -3.003 16.814 3.517 179 1HB LYS 25 1HB LYS 25 -1.166 15.191 3.925 180 2HB LYS 25 2HB LYS 25 -0.964 14.993 2.177 181 1HG LYS 25 1HG LYS 25 -0.428 17.420 1.977 182 2HG LYS 25 2HG LYS 25 -0.564 17.570 3.742 183 1HD LYS 25 1HD LYS 25 1.242 15.881 4.018 184 2HD LYS 25 2HD LYS 25 1.340 15.691 2.254 185 1HE LYS 25 1HE LYS 25 1.981 18.088 2.033 186 2HE LYS 25 2HE LYS 25 1.915 18.266 3.797 187 1HZ LYS 25 1HZ LYS 25 3.645 16.625 3.958 188 2HZ LYS 25 2HZ LYS 25 3.701 16.461 2.319 189 3HZ LYS 25 3HZ LYS 25 4.131 17.889 3.019 190 H ILE 26 H ILE 26 -2.891 14.884 0.470 191 HA ILE 26 HA ILE 26 -2.816 17.220 -1.250 192 HB ILE 26 HB ILE 26 -3.778 14.384 -1.800 193 1HG1 ILE 26 1HG1 ILE 26 -1.146 15.803 -2.444 194 2HG1 ILE 26 2HG1 ILE 26 -1.371 14.610 -1.163 195 1HG2 ILE 26 1HG2 ILE 26 -4.769 16.011 -3.415 196 2HG2 ILE 26 2HG2 ILE 26 -3.148 16.649 -3.749 197 3HG2 ILE 26 3HG2 ILE 26 -3.584 14.988 -4.196 198 1HD1 ILE 26 1HD1 ILE 26 -2.033 12.914 -2.881 199 2HD1 ILE 26 2HD1 ILE 26 -1.588 14.085 -4.150 200 3HD1 ILE 26 3HD1 ILE 26 -0.364 13.502 -3.026 201 H GLY 27 H GLY 27 -5.438 15.237 0.136 202 1HA GLY 27 1HA GLY 27 -7.588 15.823 0.656 203 2HA GLY 27 2HA GLY 27 -7.401 17.398 -0.125 204 H GLN 28 H GLN 28 -6.379 14.537 -1.869 205 HA GLN 28 HA GLN 28 -7.815 15.222 -4.175 206 1HB GLN 28 1HB GLN 28 -5.802 13.790 -4.127 207 2HB GLN 28 2HB GLN 28 -6.729 12.486 -3.371 208 1HG GLN 28 1HG GLN 28 -8.178 12.337 -5.368 209 2HG GLN 28 2HG GLN 28 -7.321 13.697 -6.106 210 1HE2 GLN 28 1HE2 GLN 28 -5.505 13.202 -7.358 211 2HE2 GLN 28 2HE2 GLN 28 -4.752 11.617 -7.371 212 H TYR 29 H TYR 29 -8.634 12.952 -1.586 213 HA TYR 29 HA TYR 29 -11.404 12.655 -2.704 214 1HB TYR 29 1HB TYR 29 -9.489 10.678 -1.843 215 2HB TYR 29 2HB TYR 29 -10.777 10.679 -0.684 216 HD1 TYR 29 HD1 TYR 29 -13.233 10.653 -1.605 217 HD2 TYR 29 HD2 TYR 29 -9.763 9.468 -3.874 218 HE1 TYR 29 HE1 TYR 29 -14.681 9.363 -3.157 219 HE2 TYR 29 HE2 TYR 29 -11.202 8.104 -5.358 220 HH TYR 29 HH TYR 29 -13.355 7.136 -5.509 221 H GLY 30 H GLY 30 -10.281 14.913 -1.062 222 1HA GLY 30 1HA GLY 30 -11.055 16.201 0.685 223 2HA GLY 30 2HA GLY 30 -12.311 15.000 1.039 224 H ARG 31 H ARG 31 -11.860 15.007 3.292 225 HA ARG 31 HA ARG 31 -9.188 14.014 4.196 226 1HB ARG 31 1HB ARG 31 -9.781 16.386 4.795 227 2HB ARG 31 2HB ARG 31 -11.187 15.763 5.671 228 1HG ARG 31 1HG ARG 31 -9.476 14.306 7.001 229 2HG ARG 31 2HG ARG 31 -8.234 15.344 6.282 230 1HD ARG 31 1HD ARG 31 -10.597 16.188 8.013 231 2HD ARG 31 2HD ARG 31 -8.888 16.172 8.500 232 HE ARG 31 HE ARG 31 -9.011 17.809 6.243 233 1HH1 ARG 31 1HH1 ARG 31 -10.371 17.803 9.500 234 2HH1 ARG 31 2HH1 ARG 31 -10.573 19.532 9.581 235 1HH2 ARG 31 1HH2 ARG 31 -9.275 20.074 6.321 236 2HH2 ARG 31 2HH2 ARG 31 -9.927 20.847 7.740 237 H LEU 32 H LEU 32 -9.383 11.915 4.929 238 HA LEU 32 HA LEU 32 -12.029 11.008 6.021 239 1HB LEU 32 1HB LEU 32 -9.938 9.341 4.570 240 2HB LEU 32 2HB LEU 32 -11.546 8.853 5.113 241 HG LEU 32 HG LEU 32 -12.204 11.026 3.552 242 1HD1 LEU 32 1HD1 LEU 32 -9.820 11.315 2.789 243 2HD1 LEU 32 2HD1 LEU 32 -9.847 9.644 2.187 244 3HD1 LEU 32 3HD1 LEU 32 -10.911 10.873 1.483 245 1HD2 LEU 32 1HD2 LEU 32 -11.821 8.160 2.634 246 2HD2 LEU 32 2HD2 LEU 32 -13.251 8.831 3.465 247 3HD2 LEU 32 3HD2 LEU 32 -12.827 9.396 1.835 248 H THR 33 H THR 33 -12.013 9.297 7.499 249 HA THR 33 HA THR 33 -9.842 9.540 9.518 250 HB THR 33 HB THR 33 -12.698 8.495 9.757 251 HG1 THR 33 HG1 THR 33 -12.437 10.785 9.353 252 1HG2 THR 33 1HG2 THR 33 -11.170 7.532 11.470 253 2HG2 THR 33 2HG2 THR 33 -10.602 9.169 11.876 254 3HG2 THR 33 3HG2 THR 33 -12.288 8.707 12.183 255 H PHE 34 H PHE 34 -8.343 8.095 8.655 256 HA PHE 34 HA PHE 34 -8.698 5.508 7.637 257 1HB PHE 34 1HB PHE 34 -6.532 6.320 7.711 258 2HB PHE 34 2HB PHE 34 -6.603 6.754 9.429 259 HD1 PHE 34 HD1 PHE 34 -6.497 4.970 11.188 260 HD2 PHE 34 HD2 PHE 34 -5.836 4.107 7.014 261 HE1 PHE 34 HE1 PHE 34 -5.305 2.912 11.804 262 HE2 PHE 34 HE2 PHE 34 -4.527 2.126 7.645 263 HZ PHE 34 HZ PHE 34 -4.293 1.478 10.051 264 H ASN 35 H ASN 35 -9.367 3.631 8.437 265 HA ASN 35 HA ASN 35 -10.132 3.423 11.341 266 1HB ASN 35 1HB ASN 35 -11.177 1.971 8.882 267 2HB ASN 35 2HB ASN 35 -11.384 1.380 10.523 268 1HD2 ASN 35 1HD2 ASN 35 -11.610 4.915 9.570 269 2HD2 ASN 35 2HD2 ASN 35 -13.293 4.970 10.042 270 H LYS 36 H LYS 36 -8.971 1.234 8.678 271 HA LYS 36 HA LYS 36 -6.709 0.290 10.158 272 1HB LYS 36 1HB LYS 36 -8.549 -0.652 11.563 273 2HB LYS 36 2HB LYS 36 -9.193 -1.494 10.156 274 1HG LYS 36 1HG LYS 36 -7.354 -2.979 10.069 275 2HG LYS 36 2HG LYS 36 -6.340 -1.972 11.125 276 1HD LYS 36 1HD LYS 36 -8.920 -3.278 12.070 277 2HD LYS 36 2HD LYS 36 -7.356 -4.109 12.099 278 1HE LYS 36 1HE LYS 36 -6.388 -2.346 13.530 279 2HE LYS 36 2HE LYS 36 -7.935 -1.480 13.547 280 1HZ LYS 36 1HZ LYS 36 -8.909 -3.393 14.591 281 2HZ LYS 36 2HZ LYS 36 -7.463 -4.184 14.577 282 3HZ LYS 36 3HZ LYS 36 -7.644 -2.816 15.476 283 H VAL 37 H VAL 37 -5.806 -1.710 8.994 284 HA VAL 37 HA VAL 37 -6.468 -1.680 6.086 285 HB VAL 37 HB VAL 37 -3.950 -2.471 7.599 286 1HG1 VAL 37 1HG1 VAL 37 -4.195 -3.952 5.682 287 2HG1 VAL 37 2HG1 VAL 37 -4.538 -2.566 4.625 288 3HG1 VAL 37 3HG1 VAL 37 -2.934 -2.757 5.362 289 1HG2 VAL 37 1HG2 VAL 37 -4.517 -0.207 5.625 290 2HG2 VAL 37 2HG2 VAL 37 -4.247 -0.032 7.371 291 3HG2 VAL 37 3HG2 VAL 37 -2.932 -0.589 6.328 292 H ILE 38 H ILE 38 -6.928 -3.673 5.118 293 HA ILE 38 HA ILE 38 -6.812 -6.109 6.751 294 HB ILE 38 HB ILE 38 -9.003 -6.862 6.375 295 1HG1 ILE 38 1HG1 ILE 38 -9.635 -5.844 4.272 296 2HG1 ILE 38 2HG1 ILE 38 -10.847 -5.609 5.528 297 1HG2 ILE 38 1HG2 ILE 38 -8.594 -5.679 8.434 298 2HG2 ILE 38 2HG2 ILE 38 -9.103 -4.143 7.716 299 3HG2 ILE 38 3HG2 ILE 38 -10.267 -5.465 7.897 300 1HD1 ILE 38 1HD1 ILE 38 -9.931 -3.251 5.861 301 2HD1 ILE 38 2HD1 ILE 38 -8.953 -3.532 4.403 302 3HD1 ILE 38 3HD1 ILE 38 -10.713 -3.584 4.315 303 H ARG 39 H ARG 39 -7.543 -8.011 5.310 304 HA ARG 39 HA ARG 39 -5.599 -8.086 3.259 305 1HB ARG 39 1HB ARG 39 -6.853 -10.361 2.747 306 2HB ARG 39 2HB ARG 39 -5.827 -10.164 4.160 307 1HG ARG 39 1HG ARG 39 -8.757 -9.526 4.493 308 2HG ARG 39 2HG ARG 39 -8.309 -11.210 4.242 309 1HD ARG 39 1HD ARG 39 -6.852 -11.297 6.097 310 2HD ARG 39 2HD ARG 39 -6.907 -9.551 6.378 311 HE ARG 39 HE ARG 39 -9.555 -10.499 6.524 312 1HH1 ARG 39 1HH1 ARG 39 -6.507 -10.896 8.261 313 2HH1 ARG 39 2HH1 ARG 39 -7.255 -11.252 9.793 314 1HH2 ARG 39 1HH2 ARG 39 -10.556 -10.955 8.526 315 2HH2 ARG 39 2HH2 ARG 39 -9.600 -11.283 9.944 316 HA PRO 40 HA PRO 40 -5.308 -9.515 1.296 317 1HB PRO 40 1HB PRO 40 -4.509 -8.958 -1.228 318 2HB PRO 40 2HB PRO 40 -5.894 -10.041 -0.896 319 1HG PRO 40 1HG PRO 40 -5.985 -7.088 -1.579 320 2HG PRO 40 2HG PRO 40 -6.907 -8.412 -2.350 321 1HD PRO 40 1HD PRO 40 -7.943 -6.867 -0.352 322 2HD PRO 40 2HD PRO 40 -8.354 -8.600 -0.466 323 H CYS 41 H CYS 41 -3.051 -8.937 1.277 324 HA CYS 41 HA CYS 41 -2.318 -6.095 1.056 325 1HB CYS 41 1HB CYS 41 -1.659 -7.860 3.475 326 2HB CYS 41 2HB CYS 41 -1.051 -6.236 3.109 327 HG CYS 41 HG CYS 41 -3.834 -5.552 2.784 328 H MET 42 H MET 42 -1.183 -6.590 -0.843 329 HA MET 42 HA MET 42 0.550 -9.015 -0.844 330 1HB MET 42 1HB MET 42 -1.454 -8.102 -2.629 331 2HB MET 42 2HB MET 42 0.074 -7.787 -3.449 332 1HG MET 42 1HG MET 42 0.736 -10.178 -2.940 333 2HG MET 42 2HG MET 42 -0.913 -10.405 -2.325 334 1HE MET 42 1HE MET 42 0.417 -12.251 -4.494 335 2HE MET 42 2HE MET 42 -1.251 -12.480 -3.916 336 3HE MET 42 3HE MET 42 -0.913 -12.430 -5.663 337 H LYS 43 H LYS 43 2.731 -8.780 -0.954 338 HA LYS 43 HA LYS 43 3.848 -6.075 -1.528 339 1HB LYS 43 1HB LYS 43 4.415 -7.157 0.665 340 2HB LYS 43 2HB LYS 43 5.169 -8.492 -0.231 341 1HG LYS 43 1HG LYS 43 6.688 -6.668 -1.314 342 2HG LYS 43 2HG LYS 43 6.024 -5.570 -0.114 343 1HD LYS 43 1HD LYS 43 7.743 -8.062 0.252 344 2HD LYS 43 2HD LYS 43 8.136 -6.384 0.663 345 1HE LYS 43 1HE LYS 43 6.217 -6.522 2.382 346 2HE LYS 43 2HE LYS 43 6.195 -8.267 2.060 347 1HZ LYS 43 1HZ LYS 43 8.479 -8.358 2.729 348 2HZ LYS 43 2HZ LYS 43 8.501 -6.738 3.033 349 3HZ LYS 43 3HZ LYS 43 7.546 -7.733 3.934 350 H LYS 44 H LYS 44 5.398 -5.830 -3.177 351 HA LYS 44 HA LYS 44 6.639 -8.219 -4.296 352 1HB LYS 44 1HB LYS 44 4.682 -8.004 -5.701 353 2HB LYS 44 2HB LYS 44 5.054 -6.314 -6.056 354 1HG LYS 44 1HG LYS 44 5.583 -7.669 -7.943 355 2HG LYS 44 2HG LYS 44 7.096 -7.071 -7.273 356 1HD LYS 44 1HD LYS 44 7.387 -9.298 -6.095 357 2HD LYS 44 2HD LYS 44 5.915 -9.867 -6.880 358 1HE LYS 44 1HE LYS 44 8.470 -8.916 -8.272 359 2HE LYS 44 2HE LYS 44 7.994 -10.606 -8.036 360 1HZ LYS 44 1HZ LYS 44 6.049 -10.176 -9.365 361 2HZ LYS 44 2HZ LYS 44 6.529 -8.619 -9.620 362 3HZ LYS 44 3HZ LYS 44 7.432 -9.864 -10.208 363 H THR 45 H THR 45 8.750 -7.804 -4.925 364 HA THR 45 HA THR 45 10.054 -5.350 -4.404 365 HB THR 45 HB THR 45 10.836 -7.530 -6.385 366 HG1 THR 45 HG1 THR 45 11.945 -8.358 -4.575 367 1HG2 THR 45 1HG2 THR 45 12.252 -5.499 -6.609 368 2HG2 THR 45 2HG2 THR 45 12.507 -5.490 -4.848 369 3HG2 THR 45 3HG2 THR 45 13.158 -6.810 -5.844 370 H ILE 46 H ILE 46 10.468 -3.530 -5.616 371 HA ILE 46 HA ILE 46 9.260 -3.372 -8.319 372 HB ILE 46 HB ILE 46 8.388 -2.036 -6.049 373 1HG1 ILE 46 1HG1 ILE 46 7.030 -0.705 -7.621 374 2HG1 ILE 46 2HG1 ILE 46 7.979 -1.337 -8.975 375 1HG2 ILE 46 1HG2 ILE 46 10.314 -0.493 -6.074 376 2HG2 ILE 46 2HG2 ILE 46 9.897 -0.006 -7.736 377 3HG2 ILE 46 3HG2 ILE 46 8.787 0.327 -6.394 378 1HD1 ILE 46 1HD1 ILE 46 7.135 -3.606 -8.547 379 2HD1 ILE 46 2HD1 ILE 46 6.478 -3.104 -6.982 380 3HD1 ILE 46 3HD1 ILE 46 5.763 -2.500 -8.493 381 H TYR 47 H TYR 47 10.545 -2.774 -9.926 382 HA TYR 47 HA TYR 47 13.108 -1.499 -9.498 383 1HB TYR 47 1HB TYR 47 14.473 -3.321 -9.925 384 2HB TYR 47 2HB TYR 47 13.387 -3.851 -8.635 385 HD1 TYR 47 HD1 TYR 47 14.855 -4.679 -11.772 386 HD2 TYR 47 HD2 TYR 47 11.404 -5.367 -9.274 387 HE1 TYR 47 HE1 TYR 47 14.584 -6.919 -12.766 388 HE2 TYR 47 HE2 TYR 47 11.131 -7.601 -10.274 389 HH TYR 47 HH TYR 47 11.915 -9.115 -11.838 390 H GLU 48 H GLU 48 14.430 -2.002 -11.647 391 HA GLU 48 HA GLU 48 12.702 -1.009 -13.813 392 1HB GLU 48 1HB GLU 48 15.062 -0.151 -13.031 393 2HB GLU 48 2HB GLU 48 15.691 -1.449 -14.039 394 1HG GLU 48 1HG GLU 48 14.278 -0.395 -15.960 395 2HG GLU 48 2HG GLU 48 13.860 0.884 -14.822 396 H ASN 49 H ASN 49 14.752 -2.302 -15.702 397 HA ASN 49 HA ASN 49 14.189 -5.121 -15.752 398 1HB ASN 49 1HB ASN 49 11.918 -4.342 -16.351 399 2HB ASN 49 2HB ASN 49 12.588 -3.338 -17.645 400 1HD2 ASN 49 1HD2 ASN 49 11.636 -4.383 -19.442 401 2HD2 ASN 49 2HD2 ASN 49 11.970 -6.063 -19.822 402 H GLU 50 H GLU 50 14.727 -2.227 -17.792 403 HA GLU 50 HA GLU 50 16.519 -3.334 -19.667 404 1HB GLU 50 1HB GLU 50 15.458 -1.090 -19.796 405 2HB GLU 50 2HB GLU 50 16.466 -0.533 -18.456 406 1HG GLU 50 1HG GLU 50 18.496 -0.837 -19.843 407 2HG GLU 50 2HG GLU 50 17.493 -1.460 -21.171 408 H GLY 51 H GLY 51 18.825 -3.113 -19.738 409 1HA GLY 51 1HA GLY 51 20.160 -4.662 -18.043 410 2HA GLY 51 2HA GLY 51 20.958 -3.460 -19.062 411 H PHE 52 H PHE 52 19.442 -1.444 -17.055 412 HA PHE 52 HA PHE 52 21.655 -0.892 -15.309 413 1HB PHE 52 1HB PHE 52 19.604 0.591 -16.059 414 2HB PHE 52 2HB PHE 52 18.766 -0.193 -14.726 415 HD1 PHE 52 HD1 PHE 52 19.168 0.548 -12.447 416 HD2 PHE 52 HD2 PHE 52 21.705 1.906 -15.663 417 HE1 PHE 52 HE1 PHE 52 20.099 2.312 -10.976 418 HE2 PHE 52 HE2 PHE 52 22.637 3.661 -14.183 419 HZ PHE 52 HZ PHE 52 21.825 3.878 -11.843 420 H ARG 53 H ARG 53 18.676 -2.766 -15.145 421 HA ARG 53 HA ARG 53 17.827 -4.235 -13.594 422 1HB ARG 53 1HB ARG 53 19.387 -5.125 -15.437 423 2HB ARG 53 2HB ARG 53 20.536 -5.499 -14.160 424 1HG ARG 53 1HG ARG 53 17.638 -6.504 -14.320 425 2HG ARG 53 2HG ARG 53 19.030 -7.348 -14.986 426 1HD ARG 53 1HD ARG 53 20.030 -7.399 -12.626 427 2HD ARG 53 2HD ARG 53 18.489 -6.776 -12.047 428 HE ARG 53 HE ARG 53 17.512 -8.814 -12.308 429 1HH1 ARG 53 1HH1 ARG 53 20.531 -8.811 -14.138 430 2HH1 ARG 53 2HH1 ARG 53 20.474 -10.511 -14.521 431 1HH2 ARG 53 1HH2 ARG 53 17.404 -11.029 -12.816 432 2HH2 ARG 53 2HH2 ARG 53 18.657 -11.792 -13.757 433 H GLU 54 H GLU 54 17.934 -2.729 -11.702 434 HA GLU 54 HA GLU 54 19.400 -3.949 -9.536 435 1HB GLU 54 1HB GLU 54 20.590 -1.807 -10.659 436 2HB GLU 54 2HB GLU 54 19.420 -0.917 -9.679 437 1HG GLU 54 1HG GLU 54 21.440 -2.986 -8.663 438 2HG GLU 54 2HG GLU 54 21.682 -1.238 -8.639 439 H ILE 55 H ILE 55 18.281 -3.536 -7.488 440 HA ILE 55 HA ILE 55 15.398 -3.281 -7.935 441 HB ILE 55 HB ILE 55 17.089 -4.103 -5.558 442 1HG1 ILE 55 1HG1 ILE 55 15.094 -5.678 -7.260 443 2HG1 ILE 55 2HG1 ILE 55 16.830 -5.649 -7.580 444 1HG2 ILE 55 1HG2 ILE 55 15.108 -2.978 -4.665 445 2HG2 ILE 55 2HG2 ILE 55 14.057 -3.851 -5.796 446 3HG2 ILE 55 3HG2 ILE 55 14.887 -4.708 -4.478 447 1HD1 ILE 55 1HD1 ILE 55 17.289 -6.572 -5.329 448 2HD1 ILE 55 2HD1 ILE 55 15.540 -6.744 -5.055 449 3HD1 ILE 55 3HD1 ILE 55 16.323 -7.645 -6.359 450 H LYS 56 H LYS 56 14.233 -1.485 -7.539 451 HA LYS 56 HA LYS 56 15.664 0.860 -6.437 452 1HB LYS 56 1HB LYS 56 13.780 0.527 -8.524 453 2HB LYS 56 2HB LYS 56 12.891 1.322 -7.220 454 1HG LYS 56 1HG LYS 56 14.721 3.049 -7.094 455 2HG LYS 56 2HG LYS 56 15.581 2.185 -8.372 456 1HD LYS 56 1HD LYS 56 14.500 4.003 -9.449 457 2HD LYS 56 2HD LYS 56 13.631 2.540 -9.913 458 1HE LYS 56 1HE LYS 56 12.050 4.327 -9.450 459 2HE LYS 56 2HE LYS 56 11.859 3.088 -8.206 460 1HZ LYS 56 1HZ LYS 56 13.164 4.459 -6.734 461 2HZ LYS 56 2HZ LYS 56 13.402 5.577 -7.922 462 3HZ LYS 56 3HZ LYS 56 11.890 5.316 -7.324 463 H GLY 57 H GLY 57 12.855 -1.293 -5.747 464 1HA GLY 57 1HA GLY 57 12.883 -0.652 -2.919 465 2HA GLY 57 2HA GLY 57 11.678 0.272 -3.856 466 H TYR 58 H TYR 58 10.021 -0.786 -2.627 467 HA TYR 58 HA TYR 58 9.142 -3.268 -3.927 468 1HB TYR 58 1HB TYR 58 8.677 -3.003 -0.984 469 2HB TYR 58 2HB TYR 58 8.708 -4.426 -1.997 470 HD1 TYR 58 HD1 TYR 58 10.811 -5.683 -2.345 471 HD2 TYR 58 HD2 TYR 58 10.796 -1.975 -0.158 472 HE1 TYR 58 HE1 TYR 58 13.221 -5.956 -1.860 473 HE2 TYR 58 HE2 TYR 58 13.192 -2.270 0.367 474 HH TYR 58 HH TYR 58 15.085 -3.565 0.031 475 H GLU 59 H GLU 59 6.835 -3.451 -3.813 476 HA GLU 59 HA GLU 59 5.374 -0.985 -3.046 477 1HB GLU 59 1HB GLU 59 3.867 -1.214 -4.740 478 2HB GLU 59 2HB GLU 59 5.404 -1.520 -5.543 479 1HG GLU 59 1HG GLU 59 4.904 -4.022 -5.237 480 2HG GLU 59 2HG GLU 59 3.291 -3.559 -4.659 481 H TYR 60 H TYR 60 3.327 -1.346 -2.106 482 HA TYR 60 HA TYR 60 2.690 -4.036 -1.052 483 1HB TYR 60 1HB TYR 60 2.543 -1.521 0.602 484 2HB TYR 60 2HB TYR 60 2.346 -3.186 1.112 485 HD1 TYR 60 HD1 TYR 60 4.287 -4.427 1.906 486 HD2 TYR 60 HD2 TYR 60 4.813 -0.627 -0.053 487 HE1 TYR 60 HE1 TYR 60 6.655 -4.333 2.673 488 HE2 TYR 60 HE2 TYR 60 7.212 -0.681 0.477 489 HH TYR 60 HH TYR 60 8.900 -1.777 1.642 490 H GLN 61 H GLN 61 0.815 -4.285 -2.223 491 HA GLN 61 HA GLN 61 -1.100 -2.014 -2.480 492 1HB GLN 61 1HB GLN 61 -2.244 -3.367 -4.061 493 2HB GLN 61 2HB GLN 61 -0.582 -3.074 -4.561 494 1HG GLN 61 1HG GLN 61 -0.165 -5.284 -4.733 495 2HG GLN 61 2HG GLN 61 -0.730 -5.596 -3.101 496 1HE2 GLN 61 1HE2 GLN 61 -1.554 -5.850 -6.472 497 2HE2 GLN 61 2HE2 GLN 61 -3.160 -6.509 -6.206 498 H LEU 62 H LEU 62 -2.824 -1.894 -1.085 499 HA LEU 62 HA LEU 62 -3.767 -4.349 0.202 500 1HB LEU 62 1HB LEU 62 -3.354 -3.375 2.501 501 2HB LEU 62 2HB LEU 62 -1.954 -3.943 1.603 502 HG LEU 62 HG LEU 62 -1.551 -1.460 0.929 503 1HD1 LEU 62 1HD1 LEU 62 -3.695 -0.516 1.797 504 2HD1 LEU 62 2HD1 LEU 62 -3.269 -1.078 3.424 505 3HD1 LEU 62 3HD1 LEU 62 -2.291 0.159 2.629 506 1HD2 LEU 62 1HD2 LEU 62 -1.161 -2.514 3.748 507 2HD2 LEU 62 2HD2 LEU 62 -0.084 -2.767 2.360 508 3HD2 LEU 62 3HD2 LEU 62 -0.284 -1.146 3.041 509 H TYR 63 H TYR 63 -5.724 -4.162 1.410 510 HA TYR 63 HA TYR 63 -7.467 -1.976 0.468 511 1HB TYR 63 1HB TYR 63 -7.827 -4.634 1.881 512 2HB TYR 63 2HB TYR 63 -9.060 -3.394 1.926 513 HD1 TYR 63 HD1 TYR 63 -10.247 -5.565 1.074 514 HD2 TYR 63 HD2 TYR 63 -7.532 -3.229 -1.331 515 HE1 TYR 63 HE1 TYR 63 -11.406 -6.305 -0.984 516 HE2 TYR 63 HE2 TYR 63 -8.736 -3.910 -3.350 517 HH TYR 63 HH TYR 63 -10.527 -5.087 -4.219 518 H VAL 64 H VAL 64 -7.663 -0.206 1.582 519 HA VAL 64 HA VAL 64 -7.078 -0.173 4.494 520 HB VAL 64 HB VAL 64 -5.487 1.107 3.177 521 1HG1 VAL 64 1HG1 VAL 64 -6.927 1.852 1.285 522 2HG1 VAL 64 2HG1 VAL 64 -7.783 2.946 2.399 523 3HG1 VAL 64 3HG1 VAL 64 -6.064 3.184 2.072 524 1HG2 VAL 64 1HG2 VAL 64 -7.309 2.871 4.870 525 2HG2 VAL 64 2HG2 VAL 64 -6.107 1.732 5.510 526 3HG2 VAL 64 3HG2 VAL 64 -5.581 3.115 4.538 527 H TYR 65 H TYR 65 -8.738 0.201 5.767 528 HA TYR 65 HA TYR 65 -11.354 0.967 4.632 529 1HB TYR 65 1HB TYR 65 -10.810 -1.088 6.186 530 2HB TYR 65 2HB TYR 65 -10.792 0.092 7.482 531 HD1 TYR 65 HD1 TYR 65 -12.836 -0.113 8.707 532 HD2 TYR 65 HD2 TYR 65 -12.885 -0.718 4.444 533 HE1 TYR 65 HE1 TYR 65 -15.269 -0.572 8.783 534 HE2 TYR 65 HE2 TYR 65 -15.343 -0.971 4.502 535 HH TYR 65 HH TYR 65 -17.207 -0.190 6.061 536 H ALA 66 H ALA 66 -11.989 3.037 4.816 537 HA ALA 66 HA ALA 66 -10.906 4.788 6.967 538 1HB ALA 66 1HB ALA 66 -9.376 5.064 5.035 539 2HB ALA 66 2HB ALA 66 -10.767 5.415 3.985 540 3HB ALA 66 3HB ALA 66 -10.353 6.521 5.314 541 H SER 67 H SER 67 -12.493 6.004 7.773 542 HA SER 67 HA SER 67 -14.624 6.684 8.213 543 1HB SER 67 1HB SER 67 -14.011 8.316 6.410 544 2HB SER 67 2HB SER 67 -14.759 7.237 5.214 545 HG SER 67 HG SER 67 -16.696 7.421 6.432 546 H ASP 68 H ASP 68 -14.302 3.897 7.841 547 HA ASP 68 HA ASP 68 -15.439 2.002 7.668 548 1HB ASP 68 1HB ASP 68 -17.148 3.423 8.906 549 2HB ASP 68 2HB ASP 68 -18.008 3.597 7.368 550 H LYS 69 H LYS 69 -14.676 3.616 5.062 551 HA LYS 69 HA LYS 69 -16.306 2.019 3.129 552 1HB LYS 69 1HB LYS 69 -15.109 4.796 2.993 553 2HB LYS 69 2HB LYS 69 -15.146 3.790 1.545 554 1HG LYS 69 1HG LYS 69 -17.049 5.168 1.493 555 2HG LYS 69 2HG LYS 69 -17.589 3.504 1.753 556 1HD LYS 69 1HD LYS 69 -17.867 3.989 4.188 557 2HD LYS 69 2HD LYS 69 -17.323 5.651 3.919 558 1HE LYS 69 1HE LYS 69 -19.802 4.343 2.687 559 2HE LYS 69 2HE LYS 69 -19.795 5.444 4.074 560 1HZ LYS 69 1HZ LYS 69 -18.884 7.137 2.651 561 2HZ LYS 69 2HZ LYS 69 -18.933 6.123 1.352 562 3HZ LYS 69 3HZ LYS 69 -20.332 6.594 2.081 563 H LEU 70 H LEU 70 -15.145 0.939 1.532 564 HA LEU 70 HA LEU 70 -12.463 0.055 2.386 565 1HB LEU 70 1HB LEU 70 -14.451 -1.478 2.060 566 2HB LEU 70 2HB LEU 70 -14.460 -1.035 0.369 567 HG LEU 70 HG LEU 70 -13.458 -3.158 0.564 568 1HD1 LEU 70 1HD1 LEU 70 -12.212 -1.483 -0.920 569 2HD1 LEU 70 2HD1 LEU 70 -10.976 -1.434 0.357 570 3HD1 LEU 70 3HD1 LEU 70 -11.354 -2.952 -0.465 571 1HD2 LEU 70 1HD2 LEU 70 -11.523 -2.063 2.643 572 2HD2 LEU 70 2HD2 LEU 70 -12.947 -3.073 2.986 573 3HD2 LEU 70 3HD2 LEU 70 -11.608 -3.726 2.029 574 H PHE 71 H PHE 71 -10.803 1.146 1.470 575 HA PHE 71 HA PHE 71 -10.941 1.838 -1.439 576 1HB PHE 71 1HB PHE 71 -9.548 3.255 0.861 577 2HB PHE 71 2HB PHE 71 -9.151 3.522 -0.829 578 HD1 PHE 71 HD1 PHE 71 -11.838 3.938 1.731 579 HD2 PHE 71 HD2 PHE 71 -10.443 4.951 -2.224 580 HE1 PHE 71 HE1 PHE 71 -13.408 5.857 1.656 581 HE2 PHE 71 HE2 PHE 71 -12.042 6.834 -2.307 582 HZ PHE 71 HZ PHE 71 -13.525 7.301 -0.367 583 H ARG 72 H ARG 72 -8.773 1.682 -2.435 584 HA ARG 72 HA ARG 72 -7.073 -0.454 -1.204 585 1HB ARG 72 1HB ARG 72 -8.283 -1.204 -3.214 586 2HB ARG 72 2HB ARG 72 -7.640 0.170 -4.107 587 1HG ARG 72 1HG ARG 72 -5.385 -1.223 -2.935 588 2HG ARG 72 2HG ARG 72 -6.464 -2.429 -3.643 589 1HD ARG 72 1HD ARG 72 -6.503 -1.051 -5.771 590 2HD ARG 72 2HD ARG 72 -5.275 0.008 -5.036 591 HE ARG 72 HE ARG 72 -4.478 -2.754 -4.924 592 1HH1 ARG 72 1HH1 ARG 72 -4.835 -0.060 -7.228 593 2HH1 ARG 72 2HH1 ARG 72 -3.657 -0.705 -8.335 594 1HH2 ARG 72 1HH2 ARG 72 -2.976 -3.599 -6.394 595 2HH2 ARG 72 2HH2 ARG 72 -2.563 -2.733 -7.847 596 H ALA 73 H ALA 73 -5.015 0.221 -0.782 597 HA ALA 73 HA ALA 73 -4.018 2.748 -2.060 598 1HB ALA 73 1HB ALA 73 -4.428 3.155 0.321 599 2HB ALA 73 2HB ALA 73 -3.491 1.707 0.751 600 3HB ALA 73 3HB ALA 73 -2.689 3.090 -0.021 601 H ASP 74 H ASP 74 -2.145 2.495 -3.136 602 HA ASP 74 HA ASP 74 -0.529 0.037 -2.638 603 1HB ASP 74 1HB ASP 74 -1.395 -0.031 -4.863 604 2HB ASP 74 2HB ASP 74 -0.807 1.613 -5.209 605 H ILE 75 H ILE 75 0.993 0.557 -1.342 606 HA ILE 75 HA ILE 75 2.206 3.300 -1.352 607 HB ILE 75 HB ILE 75 2.369 1.083 0.746 608 1HG1 ILE 75 1HG1 ILE 75 1.137 3.022 2.075 609 2HG1 ILE 75 2HG1 ILE 75 0.583 3.513 0.469 610 1HG2 ILE 75 1HG2 ILE 75 3.384 3.955 0.758 611 2HG2 ILE 75 2HG2 ILE 75 3.357 2.881 2.165 612 3HG2 ILE 75 3HG2 ILE 75 4.374 2.476 0.795 613 1HD1 ILE 75 1HD1 ILE 75 -0.513 1.280 0.212 614 2HD1 ILE 75 2HD1 ILE 75 0.229 0.753 1.735 615 3HD1 ILE 75 3HD1 ILE 75 -0.995 2.033 1.731 616 H SER 76 H SER 76 4.557 3.391 -1.547 617 HA SER 76 HA SER 76 5.886 0.791 -2.033 618 1HB SER 76 1HB SER 76 6.274 3.315 -3.697 619 2HB SER 76 2HB SER 76 7.243 1.828 -3.808 620 HG SER 76 HG SER 76 5.552 1.850 -5.371 621 H GLU 77 H GLU 77 8.046 0.744 -1.491 622 HA GLU 77 HA GLU 77 9.123 2.968 0.187 623 1HB GLU 77 1HB GLU 77 8.458 1.028 1.566 624 2HB GLU 77 2HB GLU 77 9.532 -0.011 0.615 625 1HG GLU 77 1HG GLU 77 10.594 2.492 1.998 626 2HG GLU 77 2HG GLU 77 10.271 1.032 2.931 627 H ASP 78 H ASP 78 10.923 3.774 -0.708 628 HA ASP 78 HA ASP 78 12.186 2.283 -2.974 629 1HB ASP 78 1HB ASP 78 11.708 4.645 -3.393 630 2HB ASP 78 2HB ASP 78 12.678 5.106 -1.988 631 H TYR 79 H TYR 79 14.004 1.139 -2.537 632 HA TYR 79 HA TYR 79 14.703 0.648 0.200 633 1HB TYR 79 1HB TYR 79 14.735 -1.093 -1.508 634 2HB TYR 79 2HB TYR 79 15.927 -0.202 -2.450 635 HD1 TYR 79 HD1 TYR 79 18.010 -1.262 -2.432 636 HD2 TYR 79 HD2 TYR 79 15.628 -1.291 1.170 637 HE1 TYR 79 HE1 TYR 79 19.770 -2.549 -1.277 638 HE2 TYR 79 HE2 TYR 79 17.391 -2.602 2.315 639 HH TYR 79 HH TYR 79 20.418 -3.571 0.686 640 H LYS 80 H LYS 80 16.312 2.361 -2.486 641 HA LYS 80 HA LYS 80 18.759 2.826 -1.075 642 1HB LYS 80 1HB LYS 80 18.435 2.785 -3.538 643 2HB LYS 80 2HB LYS 80 17.618 4.347 -3.469 644 1HG LYS 80 1HG LYS 80 20.414 3.978 -2.311 645 2HG LYS 80 2HG LYS 80 20.173 4.139 -4.053 646 1HD LYS 80 1HD LYS 80 19.043 6.310 -3.751 647 2HD LYS 80 2HD LYS 80 19.301 6.219 -1.996 648 1HE LYS 80 1HE LYS 80 21.742 6.145 -2.325 649 2HE LYS 80 2HE LYS 80 21.523 6.201 -4.085 650 1HZ LYS 80 1HZ LYS 80 20.500 8.337 -3.832 651 2HZ LYS 80 2HZ LYS 80 20.690 8.286 -2.195 652 3HZ LYS 80 3HZ LYS 80 22.012 8.341 -3.177 653 H THR 81 H THR 81 15.772 4.769 -1.515 654 HA THR 81 HA THR 81 16.757 7.063 -0.032 655 HB THR 81 HB THR 81 13.854 6.248 -0.419 656 HG1 THR 81 HG1 THR 81 15.663 7.371 -2.283 657 1HG2 THR 81 1HG2 THR 81 14.259 8.253 0.963 658 2HG2 THR 81 2HG2 THR 81 15.229 8.969 -0.343 659 3HG2 THR 81 3HG2 THR 81 13.493 8.675 -0.579 660 H ARG 82 H ARG 82 14.986 4.069 0.628 661 HA ARG 82 HA ARG 82 14.252 3.039 2.403 662 1HB ARG 82 1HB ARG 82 16.790 3.572 3.005 663 2HB ARG 82 2HB ARG 82 16.088 4.561 4.286 664 1HG ARG 82 1HG ARG 82 15.479 1.606 3.740 665 2HG ARG 82 2HG ARG 82 16.709 2.194 4.870 666 1HD ARG 82 1HD ARG 82 14.924 3.443 6.111 667 2HD ARG 82 2HD ARG 82 13.700 2.645 5.094 668 HE ARG 82 HE ARG 82 15.203 0.559 6.073 669 1HH1 ARG 82 1HH1 ARG 82 13.352 3.192 7.515 670 2HH1 ARG 82 2HH1 ARG 82 13.018 2.348 9.003 671 1HH2 ARG 82 1HH2 ARG 82 14.758 -0.582 7.997 672 2HH2 ARG 82 2HH2 ARG 82 13.819 0.145 9.272 673 H GLY 83 H GLY 83 12.677 4.810 1.479 674 1HA GLY 83 1HA GLY 83 11.205 5.883 3.795 675 2HA GLY 83 2HA GLY 83 11.699 7.049 2.543 676 H ARG 84 H ARG 84 8.962 6.320 3.203 677 HA ARG 84 HA ARG 84 8.116 4.593 0.968 678 1HB ARG 84 1HB ARG 84 6.514 5.493 3.352 679 2HB ARG 84 2HB ARG 84 6.045 4.290 2.160 680 1HG ARG 84 1HG ARG 84 6.929 2.694 3.398 681 2HG ARG 84 2HG ARG 84 8.541 3.386 3.168 682 1HD ARG 84 1HD ARG 84 8.183 4.840 5.164 683 2HD ARG 84 2HD ARG 84 6.551 4.154 5.336 684 HE ARG 84 HE ARG 84 8.710 2.180 5.291 685 1HH1 ARG 84 1HH1 ARG 84 6.832 4.329 7.383 686 2HH1 ARG 84 2HH1 ARG 84 7.047 3.357 8.810 687 1HH2 ARG 84 1HH2 ARG 84 9.044 0.934 7.154 688 2HH2 ARG 84 2HH2 ARG 84 8.348 1.404 8.682 689 H LYS 85 H LYS 85 6.022 5.096 0.030 690 HA LYS 85 HA LYS 85 5.102 7.836 -0.075 691 1HB LYS 85 1HB LYS 85 5.684 8.216 -2.440 692 2HB LYS 85 2HB LYS 85 7.128 7.990 -1.446 693 1HG LYS 85 1HG LYS 85 6.775 5.415 -2.224 694 2HG LYS 85 2HG LYS 85 5.963 6.204 -3.578 695 1HD LYS 85 1HD LYS 85 8.799 6.727 -2.560 696 2HD LYS 85 2HD LYS 85 8.378 5.734 -3.964 697 1HE LYS 85 1HE LYS 85 7.381 7.729 -5.086 698 2HE LYS 85 2HE LYS 85 7.825 8.734 -3.694 699 1HZ LYS 85 1HZ LYS 85 10.110 8.210 -4.112 700 2HZ LYS 85 2HZ LYS 85 9.705 7.285 -5.415 701 3HZ LYS 85 3HZ LYS 85 9.419 8.907 -5.434 702 H LEU 86 H LEU 86 3.061 7.995 -0.840 703 HA LEU 86 HA LEU 86 1.484 5.653 -1.462 704 1HB LEU 86 1HB LEU 86 0.512 7.744 -0.533 705 2HB LEU 86 2HB LEU 86 1.051 8.632 -1.961 706 HG LEU 86 HG LEU 86 -0.474 7.140 -3.371 707 1HD1 LEU 86 1HD1 LEU 86 -0.750 5.272 -1.718 708 2HD1 LEU 86 2HD1 LEU 86 -1.555 6.427 -0.625 709 3HD1 LEU 86 3HD1 LEU 86 -2.304 5.990 -2.163 710 1HD2 LEU 86 1HD2 LEU 86 -1.739 8.859 -1.197 711 2HD2 LEU 86 2HD2 LEU 86 -1.085 9.430 -2.749 712 3HD2 LEU 86 3HD2 LEU 86 -2.507 8.377 -2.727 713 H LEU 87 H LEU 87 1.545 4.546 -3.456 714 HA LEU 87 HA LEU 87 2.689 5.926 -5.806 715 1HB LEU 87 1HB LEU 87 2.898 3.294 -5.109 716 2HB LEU 87 2HB LEU 87 1.416 3.223 -6.059 717 HG LEU 87 HG LEU 87 2.652 4.426 -7.930 718 1HD1 LEU 87 1HD1 LEU 87 4.570 5.406 -6.716 719 2HD1 LEU 87 2HD1 LEU 87 5.071 3.796 -6.171 720 3HD1 LEU 87 3HD1 LEU 87 5.150 4.228 -7.889 721 1HD2 LEU 87 1HD2 LEU 87 3.680 1.724 -6.966 722 2HD2 LEU 87 2HD2 LEU 87 2.250 2.021 -7.979 723 3HD2 LEU 87 3HD2 LEU 87 3.866 2.358 -8.615 724 H ARG 88 H ARG 88 -0.358 4.257 -4.846 725 HA ARG 88 HA ARG 88 -1.917 6.366 -6.142 726 1HB ARG 88 1HB ARG 88 -2.066 3.460 -7.101 727 2HB ARG 88 2HB ARG 88 -3.360 4.636 -7.291 728 1HG ARG 88 1HG ARG 88 -2.486 5.042 -9.283 729 2HG ARG 88 2HG ARG 88 -1.407 6.111 -8.403 730 1HD ARG 88 1HD ARG 88 -0.023 4.784 -9.864 731 2HD ARG 88 2HD ARG 88 0.233 4.159 -8.245 732 HE ARG 88 HE ARG 88 -0.638 2.148 -8.850 733 1HH1 ARG 88 1HH1 ARG 88 -1.652 4.529 -11.251 734 2HH1 ARG 88 2HH1 ARG 88 -2.298 3.352 -12.364 735 1HH2 ARG 88 1HH2 ARG 88 -1.454 0.596 -10.291 736 2HH2 ARG 88 2HH2 ARG 88 -2.198 1.071 -11.794 737 H PHE 89 H PHE 89 -4.053 6.368 -5.509 738 HA PHE 89 HA PHE 89 -4.919 4.568 -3.311 739 1HB PHE 89 1HB PHE 89 -4.487 6.890 -2.478 740 2HB PHE 89 2HB PHE 89 -5.526 7.528 -3.742 741 HD1 PHE 89 HD1 PHE 89 -5.541 5.136 -0.832 742 HD2 PHE 89 HD2 PHE 89 -7.814 7.910 -3.230 743 HE1 PHE 89 HE1 PHE 89 -7.307 5.206 0.911 744 HE2 PHE 89 HE2 PHE 89 -9.558 7.991 -1.464 745 HZ PHE 89 HZ PHE 89 -9.302 6.659 0.604 746 H ASN 90 H ASN 90 -6.901 3.563 -3.905 747 HA ASN 90 HA ASN 90 -8.352 4.596 -6.288 748 1HB ASN 90 1HB ASN 90 -7.775 1.676 -5.679 749 2HB ASN 90 2HB ASN 90 -8.579 2.348 -7.075 750 1HD2 ASN 90 1HD2 ASN 90 -6.354 4.522 -7.340 751 2HD2 ASN 90 2HD2 ASN 90 -5.103 3.590 -8.148 752 H GLY 91 H GLY 91 -10.594 4.213 -6.103 753 1HA GLY 91 1HA GLY 91 -12.193 2.600 -5.139 754 2HA GLY 91 2HA GLY 91 -11.542 2.991 -3.545 755 HA PRO 92 HA PRO 92 -13.247 2.975 -2.192 756 1HB PRO 92 1HB PRO 92 -15.917 2.751 -1.723 757 2HB PRO 92 2HB PRO 92 -14.891 4.038 -1.031 758 1HG PRO 92 1HG PRO 92 -16.638 4.193 -3.509 759 2HG PRO 92 2HG PRO 92 -16.581 5.350 -2.146 760 1HD PRO 92 1HD PRO 92 -15.195 5.751 -4.465 761 2HD PRO 92 2HD PRO 92 -14.504 6.234 -2.890 762 H VAL 93 H VAL 93 -13.814 0.710 -2.370 763 HA VAL 93 HA VAL 93 -15.270 -0.144 -4.797 764 HB VAL 93 HB VAL 93 -13.561 -2.050 -5.038 765 1HG1 VAL 93 1HG1 VAL 93 -13.964 -0.388 -6.776 766 2HG1 VAL 93 2HG1 VAL 93 -12.797 0.712 -6.022 767 3HG1 VAL 93 3HG1 VAL 93 -12.252 -0.833 -6.689 768 1HG2 VAL 93 1HG2 VAL 93 -11.687 -0.018 -3.736 769 2HG2 VAL 93 2HG2 VAL 93 -12.110 -1.635 -3.120 770 3HG2 VAL 93 3HG2 VAL 93 -11.201 -1.473 -4.619 771 HA PRO 94 HA PRO 94 -16.947 -2.448 -1.410 772 1HB PRO 94 1HB PRO 94 -18.633 -4.202 -2.708 773 2HB PRO 94 2HB PRO 94 -18.972 -2.450 -2.573 774 1HG PRO 94 1HG PRO 94 -17.669 -3.911 -4.888 775 2HG PRO 94 2HG PRO 94 -19.032 -2.753 -4.958 776 1HD PRO 94 1HD PRO 94 -16.461 -1.994 -5.439 777 2HD PRO 94 2HD PRO 94 -17.582 -0.908 -4.557 778 HA PRO 95 HA PRO 95 -14.285 -6.032 -1.361 779 1HB PRO 95 1HB PRO 95 -15.457 -7.666 0.517 780 2HB PRO 95 2HB PRO 95 -14.653 -6.124 0.940 781 1HG PRO 95 1HG PRO 95 -17.611 -6.595 0.462 782 2HG PRO 95 2HG PRO 95 -16.852 -5.780 1.863 783 1HD PRO 95 1HD PRO 95 -17.850 -4.378 -0.243 784 2HD PRO 95 2HD PRO 95 -16.335 -3.856 0.554 785 HA PRO 96 HA PRO 96 -16.245 -8.865 -4.210 786 1HB PRO 96 1HB PRO 96 -14.760 -11.152 -3.942 787 2HB PRO 96 2HB PRO 96 -14.121 -9.660 -4.690 788 1HG PRO 96 1HG PRO 96 -13.775 -10.573 -1.817 789 2HG PRO 96 2HG PRO 96 -12.500 -10.033 -2.951 790 1HD PRO 96 1HD PRO 96 -13.591 -8.338 -1.134 791 2HD PRO 96 2HD PRO 96 -13.209 -7.762 -2.785 Start of MODEL 7 1 1H GLY 1 1H GLY 1 7.644 -15.969 -7.158 2 2H GLY 1 2H GLY 1 6.005 -15.874 -7.315 3 3H GLY 1 3H GLY 1 6.865 -16.929 -8.243 4 1HA GLY 1 1HA GLY 1 7.970 -15.128 -9.370 5 2HA GLY 1 2HA GLY 1 6.210 -15.095 -9.573 6 H GLU 2 H GLU 2 8.408 -14.071 -6.935 7 HA GLU 2 HA GLU 2 8.471 -12.219 -5.638 8 1HB GLU 2 1HB GLU 2 8.289 -10.875 -8.368 9 2HB GLU 2 2HB GLU 2 8.914 -10.137 -6.886 10 1HG GLU 2 1HG GLU 2 10.708 -11.851 -6.766 11 2HG GLU 2 2HG GLU 2 10.126 -12.567 -8.280 12 H TRP 3 H TRP 3 6.027 -13.191 -5.408 13 HA TRP 3 HA TRP 3 4.491 -10.774 -4.760 14 1HB TRP 3 1HB TRP 3 3.500 -13.077 -6.465 15 2HB TRP 3 2HB TRP 3 2.412 -12.259 -5.355 16 HD1 TRP 3 HD1 TRP 3 3.489 -12.032 -8.815 17 HE1 TRP 3 HE1 TRP 3 2.675 -9.867 -9.881 18 HE3 TRP 3 HE3 TRP 3 2.286 -9.443 -4.563 19 HZ2 TRP 3 HZ2 TRP 3 1.631 -7.300 -9.005 20 HZ3 TRP 3 HZ3 TRP 3 1.492 -7.098 -4.713 21 HH2 TRP 3 HH2 TRP 3 1.122 -6.037 -6.920 22 H GLU 4 H GLU 4 3.748 -10.980 -2.652 23 HA GLU 4 HA GLU 4 2.977 -13.575 -1.631 24 1HB GLU 4 1HB GLU 4 5.465 -13.553 -1.260 25 2HB GLU 4 2HB GLU 4 5.272 -12.120 -0.232 26 1HG GLU 4 1HG GLU 4 3.989 -13.445 1.386 27 2HG GLU 4 2HG GLU 4 3.918 -14.818 0.261 28 H ILE 5 H ILE 5 1.972 -13.294 0.540 29 HA ILE 5 HA ILE 5 0.585 -10.691 0.707 30 HB ILE 5 HB ILE 5 0.009 -13.186 2.308 31 1HG1 ILE 5 1HG1 ILE 5 -2.051 -13.186 0.565 32 2HG1 ILE 5 2HG1 ILE 5 -0.837 -12.503 -0.514 33 1HG2 ILE 5 1HG2 ILE 5 -0.924 -11.063 3.170 34 2HG2 ILE 5 2HG2 ILE 5 -1.715 -10.784 1.604 35 3HG2 ILE 5 3HG2 ILE 5 -2.192 -12.157 2.622 36 1HD1 ILE 5 1HD1 ILE 5 0.568 -14.557 -0.144 37 2HD1 ILE 5 2HD1 ILE 5 -0.632 -15.140 1.028 38 3HD1 ILE 5 3HD1 ILE 5 -1.061 -14.975 -0.682 39 H ILE 6 H ILE 6 0.888 -9.394 2.571 40 HA ILE 6 HA ILE 6 2.967 -10.310 4.511 41 HB ILE 6 HB ILE 6 3.574 -8.013 4.815 42 1HG1 ILE 6 1HG1 ILE 6 3.003 -6.333 3.018 43 2HG1 ILE 6 2HG1 ILE 6 1.609 -7.314 2.599 44 1HG2 ILE 6 1HG2 ILE 6 4.727 -9.483 3.181 45 2HG2 ILE 6 2HG2 ILE 6 3.699 -8.828 1.891 46 3HG2 ILE 6 3HG2 ILE 6 4.833 -7.770 2.755 47 1HD1 ILE 6 1HD1 ILE 6 0.651 -6.894 4.844 48 2HD1 ILE 6 2HD1 ILE 6 2.173 -6.137 5.367 49 3HD1 ILE 6 3HD1 ILE 6 1.167 -5.367 4.127 50 H ASP 7 H ASP 7 2.774 -9.415 6.677 51 HA ASP 7 HA ASP 7 0.191 -10.121 7.681 52 1HB ASP 7 1HB ASP 7 2.655 -9.013 9.091 53 2HB ASP 7 2HB ASP 7 1.236 -9.706 9.887 54 H ILE 8 H ILE 8 -1.408 -8.856 8.438 55 HA ILE 8 HA ILE 8 -1.210 -5.937 8.339 56 HB ILE 8 HB ILE 8 -3.617 -6.489 9.430 57 1HG1 ILE 8 1HG1 ILE 8 -4.763 -8.122 7.954 58 2HG1 ILE 8 2HG1 ILE 8 -3.213 -8.737 7.403 59 1HG2 ILE 8 1HG2 ILE 8 -3.139 -4.923 7.623 60 2HG2 ILE 8 2HG2 ILE 8 -2.838 -6.276 6.509 61 3HG2 ILE 8 3HG2 ILE 8 -4.474 -5.971 7.127 62 1HD1 ILE 8 1HD1 ILE 8 -2.730 -9.478 9.766 63 2HD1 ILE 8 2HD1 ILE 8 -4.258 -8.738 10.284 64 3HD1 ILE 8 3HD1 ILE 8 -4.268 -10.125 9.179 65 H GLY 9 H GLY 9 -0.583 -4.807 10.057 66 1HA GLY 9 1HA GLY 9 -1.097 -5.558 12.817 67 2HA GLY 9 2HA GLY 9 0.569 -5.859 12.263 68 HA PRO 10 HA PRO 10 -0.043 -1.417 13.746 69 1HB PRO 10 1HB PRO 10 2.452 -1.142 14.945 70 2HB PRO 10 2HB PRO 10 0.972 -1.729 15.750 71 1HG PRO 10 1HG PRO 10 3.196 -3.379 14.540 72 2HG PRO 10 2HG PRO 10 2.393 -3.600 16.118 73 1HD PRO 10 1HD PRO 10 1.693 -5.087 13.993 74 2HD PRO 10 2HD PRO 10 0.422 -4.470 15.084 75 H PHE 11 H PHE 11 2.929 -2.840 12.336 76 HA PHE 11 HA PHE 11 3.984 -0.594 11.085 77 1HB PHE 11 1HB PHE 11 4.993 -2.885 11.326 78 2HB PHE 11 2HB PHE 11 3.948 -3.460 10.037 79 HD1 PHE 11 HD1 PHE 11 4.485 -2.969 7.695 80 HD2 PHE 11 HD2 PHE 11 6.797 -1.243 10.909 81 HE1 PHE 11 HE1 PHE 11 6.328 -2.465 6.112 82 HE2 PHE 11 HE2 PHE 11 8.635 -0.762 9.323 83 HZ PHE 11 HZ PHE 11 8.420 -1.413 6.938 84 H THR 12 H THR 12 1.633 -3.000 9.732 85 HA THR 12 HA THR 12 1.339 -1.768 7.222 86 HB THR 12 HB THR 12 -0.966 -3.297 8.261 87 HG1 THR 12 HG1 THR 12 0.865 -5.170 8.198 88 1HG2 THR 12 1HG2 THR 12 -0.437 -3.035 5.867 89 2HG2 THR 12 2HG2 THR 12 1.102 -3.895 6.106 90 3HG2 THR 12 3HG2 THR 12 -0.443 -4.744 6.333 91 H GLN 13 H GLN 13 -0.517 -1.508 10.289 92 HA GLN 13 HA GLN 13 -2.491 0.269 9.269 93 1HB GLN 13 1HB GLN 13 -1.417 -0.315 12.052 94 2HB GLN 13 2HB GLN 13 -2.695 0.852 11.734 95 1HG GLN 13 1HG GLN 13 -4.002 -0.937 10.532 96 2HG GLN 13 2HG GLN 13 -2.797 -2.121 11.045 97 1HE2 GLN 13 1HE2 GLN 13 -2.298 -1.654 13.653 98 2HE2 GLN 13 2HE2 GLN 13 -3.785 -1.677 14.589 99 H ASN 14 H ASN 14 0.734 0.916 10.734 100 HA ASN 14 HA ASN 14 0.533 3.734 10.731 101 1HB ASN 14 1HB ASN 14 2.401 2.535 11.786 102 2HB ASN 14 2HB ASN 14 2.989 2.009 10.210 103 1HD2 ASN 14 1HD2 ASN 14 2.533 4.874 12.293 104 2HD2 ASN 14 2HD2 ASN 14 3.648 5.879 11.383 105 H LEU 15 H LEU 15 1.694 1.513 8.125 106 HA LEU 15 HA LEU 15 2.089 3.593 6.205 107 1HB LEU 15 1HB LEU 15 1.575 0.612 6.011 108 2HB LEU 15 2HB LEU 15 1.469 1.597 4.554 109 HG LEU 15 HG LEU 15 3.921 1.367 6.338 110 1HD1 LEU 15 1HD1 LEU 15 3.395 -0.621 4.948 111 2HD1 LEU 15 2HD1 LEU 15 3.349 0.400 3.498 112 3HD1 LEU 15 3HD1 LEU 15 4.866 0.190 4.398 113 1HD2 LEU 15 1HD2 LEU 15 4.829 2.614 4.118 114 2HD2 LEU 15 2HD2 LEU 15 3.182 3.239 4.082 115 3HD2 LEU 15 3HD2 LEU 15 4.211 3.522 5.495 116 H GLY 16 H GLY 16 -0.786 1.642 6.941 117 1HA GLY 16 1HA GLY 16 -2.592 2.699 5.055 118 2HA GLY 16 2HA GLY 16 -3.003 2.144 6.686 119 H LYS 17 H LYS 17 -1.695 3.975 8.345 120 HA LYS 17 HA LYS 17 -3.513 6.086 8.303 121 1HB LYS 17 1HB LYS 17 -1.783 5.033 10.149 122 2HB LYS 17 2HB LYS 17 -0.817 6.411 9.666 123 1HG LYS 17 1HG LYS 17 -3.574 6.400 10.929 124 2HG LYS 17 2HG LYS 17 -2.068 7.068 11.569 125 1HD LYS 17 1HD LYS 17 -2.078 8.666 9.562 126 2HD LYS 17 2HD LYS 17 -3.708 8.070 9.205 127 1HE LYS 17 1HE LYS 17 -4.013 10.095 10.413 128 2HE LYS 17 2HE LYS 17 -4.436 8.777 11.518 129 1HZ LYS 17 1HZ LYS 17 -2.247 9.011 12.488 130 2HZ LYS 17 2HZ LYS 17 -1.882 10.235 11.445 131 3HZ LYS 17 3HZ LYS 17 -3.077 10.433 12.561 132 H PHE 18 H PHE 18 -0.083 5.942 7.449 133 HA PHE 18 HA PHE 18 0.246 8.585 6.496 134 1HB PHE 18 1HB PHE 18 2.251 7.395 6.689 135 2HB PHE 18 2HB PHE 18 1.595 5.952 5.935 136 HD1 PHE 18 HD1 PHE 18 2.615 9.477 5.131 137 HD2 PHE 18 HD2 PHE 18 1.809 5.512 3.628 138 HE1 PHE 18 HE1 PHE 18 2.923 10.287 2.810 139 HE2 PHE 18 HE2 PHE 18 2.056 6.328 1.332 140 HZ PHE 18 HZ PHE 18 2.520 8.759 0.902 141 H ALA 19 H ALA 19 -0.933 5.719 4.732 142 HA ALA 19 HA ALA 19 -1.125 6.962 2.199 143 1HB ALA 19 1HB ALA 19 -1.325 4.513 2.635 144 2HB ALA 19 2HB ALA 19 -2.955 4.775 3.281 145 3HB ALA 19 3HB ALA 19 -2.611 5.146 1.582 146 H VAL 20 H VAL 20 -3.561 6.650 4.786 147 HA VAL 20 HA VAL 20 -5.569 8.192 3.358 148 HB VAL 20 HB VAL 20 -5.257 7.522 6.299 149 1HG1 VAL 20 1HG1 VAL 20 -6.650 9.538 6.172 150 2HG1 VAL 20 2HG1 VAL 20 -7.572 8.858 4.813 151 3HG1 VAL 20 3HG1 VAL 20 -7.712 8.150 6.430 152 1HG2 VAL 20 1HG2 VAL 20 -7.043 6.436 4.061 153 2HG2 VAL 20 2HG2 VAL 20 -5.668 5.596 4.795 154 3HG2 VAL 20 3HG2 VAL 20 -7.118 5.929 5.758 155 H ASP 21 H ASP 21 -2.974 9.064 5.682 156 HA ASP 21 HA ASP 21 -3.769 11.737 6.107 157 1HB ASP 21 1HB ASP 21 -2.142 10.664 7.528 158 2HB ASP 21 2HB ASP 21 -1.028 10.419 6.180 159 H GLU 22 H GLU 22 -1.621 10.283 3.673 160 HA GLU 22 HA GLU 22 -0.887 12.630 2.284 161 1HB GLU 22 1HB GLU 22 0.153 10.305 1.978 162 2HB GLU 22 2HB GLU 22 -1.310 9.835 1.116 163 1HG GLU 22 1HG GLU 22 0.394 10.414 -0.482 164 2HG GLU 22 2HG GLU 22 -0.839 11.677 -0.560 165 H GLU 23 H GLU 23 -3.585 10.283 1.654 166 HA GLU 23 HA GLU 23 -4.630 11.697 -0.546 167 1HB GLU 23 1HB GLU 23 -5.290 9.350 0.179 168 2HB GLU 23 2HB GLU 23 -6.286 10.101 1.447 169 1HG GLU 23 1HG GLU 23 -7.429 11.456 -0.407 170 2HG GLU 23 2HG GLU 23 -6.480 10.522 -1.577 171 H ASN 24 H ASN 24 -5.455 11.974 2.941 172 HA ASN 24 HA ASN 24 -7.485 13.942 2.757 173 1HB ASN 24 1HB ASN 24 -5.538 12.955 4.865 174 2HB ASN 24 2HB ASN 24 -6.332 14.488 5.108 175 1HD2 ASN 24 1HD2 ASN 24 -7.404 13.663 6.975 176 2HD2 ASN 24 2HD2 ASN 24 -8.759 12.556 6.810 177 H LYS 25 H LYS 25 -3.908 14.207 3.077 178 HA LYS 25 HA LYS 25 -3.835 17.001 3.422 179 1HB LYS 25 1HB LYS 25 -1.987 15.401 3.846 180 2HB LYS 25 2HB LYS 25 -1.738 15.229 2.099 181 1HG LYS 25 1HG LYS 25 -1.162 17.621 1.936 182 2HG LYS 25 2HG LYS 25 -1.544 17.845 3.657 183 1HD LYS 25 1HD LYS 25 0.234 16.215 4.267 184 2HD LYS 25 2HD LYS 25 0.625 15.997 2.550 185 1HE LYS 25 1HE LYS 25 1.243 18.393 2.374 186 2HE LYS 25 2HE LYS 25 0.801 18.644 4.075 187 1HZ LYS 25 1HZ LYS 25 2.512 17.104 4.690 188 2HZ LYS 25 2HZ LYS 25 2.924 16.859 3.113 189 3HZ LYS 25 3HZ LYS 25 3.142 18.340 3.802 190 H ILE 26 H ILE 26 -3.829 15.039 0.421 191 HA ILE 26 HA ILE 26 -3.706 17.386 -1.305 192 HB ILE 26 HB ILE 26 -4.586 14.552 -1.949 193 1HG1 ILE 26 1HG1 ILE 26 -1.875 15.905 -2.380 194 2HG1 ILE 26 2HG1 ILE 26 -2.207 14.795 -1.055 195 1HG2 ILE 26 1HG2 ILE 26 -5.348 16.286 -3.614 196 2HG2 ILE 26 2HG2 ILE 26 -3.676 16.845 -3.762 197 3HG2 ILE 26 3HG2 ILE 26 -4.131 15.216 -4.298 198 1HD1 ILE 26 1HD1 ILE 26 -2.797 13.009 -2.692 199 2HD1 ILE 26 2HD1 ILE 26 -2.241 14.081 -4.001 200 3HD1 ILE 26 3HD1 ILE 26 -1.109 13.552 -2.750 201 H GLY 27 H GLY 27 -6.346 15.274 -0.104 202 1HA GLY 27 1HA GLY 27 -8.422 15.969 0.575 203 2HA GLY 27 2HA GLY 27 -8.246 17.507 -0.272 204 H GLN 28 H GLN 28 -7.489 14.657 -2.125 205 HA GLN 28 HA GLN 28 -9.270 15.259 -4.189 206 1HB GLN 28 1HB GLN 28 -8.109 12.534 -3.448 207 2HB GLN 28 2HB GLN 28 -8.911 12.930 -4.976 208 1HG GLN 28 1HG GLN 28 -7.184 14.725 -5.372 209 2HG GLN 28 2HG GLN 28 -6.358 14.183 -3.899 210 1HE2 GLN 28 1HE2 GLN 28 -7.712 12.736 -6.942 211 2HE2 GLN 28 2HE2 GLN 28 -6.348 11.658 -7.177 212 H TYR 29 H TYR 29 -9.769 13.075 -1.448 213 HA TYR 29 HA TYR 29 -12.670 12.783 -2.194 214 1HB TYR 29 1HB TYR 29 -10.638 10.853 -1.171 215 2HB TYR 29 2HB TYR 29 -12.181 10.816 -0.357 216 HD1 TYR 29 HD1 TYR 29 -10.448 9.651 -3.306 217 HD2 TYR 29 HD2 TYR 29 -14.334 10.631 -1.702 218 HE1 TYR 29 HE1 TYR 29 -11.508 8.139 -4.935 219 HE2 TYR 29 HE2 TYR 29 -15.395 9.201 -3.427 220 HH TYR 29 HH TYR 29 -13.522 7.024 -5.455 221 H GLY 30 H GLY 30 -11.426 15.085 -0.915 222 1HA GLY 30 1HA GLY 30 -11.859 16.495 0.844 223 2HA GLY 30 2HA GLY 30 -13.223 15.453 1.290 224 H ARG 31 H ARG 31 -12.851 15.254 3.497 225 HA ARG 31 HA ARG 31 -10.201 14.297 4.472 226 1HB ARG 31 1HB ARG 31 -12.528 15.661 5.889 227 2HB ARG 31 2HB ARG 31 -11.053 15.053 6.649 228 1HG ARG 31 1HG ARG 31 -9.704 16.613 5.213 229 2HG ARG 31 2HG ARG 31 -11.219 17.279 4.565 230 1HD ARG 31 1HD ARG 31 -11.921 17.905 6.866 231 2HD ARG 31 2HD ARG 31 -10.392 17.247 7.498 232 HE ARG 31 HE ARG 31 -9.853 19.171 5.455 233 1HH1 ARG 31 1HH1 ARG 31 -11.002 18.959 8.785 234 2HH1 ARG 31 2HH1 ARG 31 -10.414 20.533 9.248 235 1HH2 ARG 31 1HH2 ARG 31 -9.088 21.243 6.032 236 2HH2 ARG 31 2HH2 ARG 31 -9.312 21.860 7.646 237 H LEU 32 H LEU 32 -10.162 12.141 4.841 238 HA LEU 32 HA LEU 32 -12.631 10.728 5.798 239 1HB LEU 32 1HB LEU 32 -10.057 9.723 4.540 240 2HB LEU 32 2HB LEU 32 -11.355 8.686 5.141 241 HG LEU 32 HG LEU 32 -12.080 10.767 3.071 242 1HD1 LEU 32 1HD1 LEU 32 -10.049 9.845 2.166 243 2HD1 LEU 32 2HD1 LEU 32 -10.598 8.179 2.469 244 3HD1 LEU 32 3HD1 LEU 32 -11.431 9.192 1.270 245 1HD2 LEU 32 1HD2 LEU 32 -12.946 7.877 3.540 246 2HD2 LEU 32 2HD2 LEU 32 -13.824 9.326 4.092 247 3HD2 LEU 32 3HD2 LEU 32 -13.636 9.010 2.361 248 H THR 33 H THR 33 -12.052 9.012 7.475 249 HA THR 33 HA THR 33 -9.906 9.976 9.339 250 HB THR 33 HB THR 33 -12.577 8.712 10.052 251 HG1 THR 33 HG1 THR 33 -13.110 10.836 10.650 252 1HG2 THR 33 1HG2 THR 33 -10.776 8.368 11.737 253 2HG2 THR 33 2HG2 THR 33 -10.444 10.114 11.731 254 3HG2 THR 33 3HG2 THR 33 -12.001 9.505 12.325 255 H PHE 34 H PHE 34 -8.258 8.533 8.952 256 HA PHE 34 HA PHE 34 -8.402 5.948 7.988 257 1HB PHE 34 1HB PHE 34 -6.298 6.940 8.227 258 2HB PHE 34 2HB PHE 34 -6.474 7.175 9.974 259 HD1 PHE 34 HD1 PHE 34 -6.044 4.589 7.286 260 HD2 PHE 34 HD2 PHE 34 -5.980 5.373 11.530 261 HE1 PHE 34 HE1 PHE 34 -5.051 2.368 7.697 262 HE2 PHE 34 HE2 PHE 34 -4.860 3.197 11.906 263 HZ PHE 34 HZ PHE 34 -4.316 1.729 9.973 264 H ASN 35 H ASN 35 -8.988 4.029 8.683 265 HA ASN 35 HA ASN 35 -9.932 3.696 11.531 266 1HB ASN 35 1HB ASN 35 -10.958 2.702 8.896 267 2HB ASN 35 2HB ASN 35 -11.096 1.650 10.309 268 1HD2 ASN 35 1HD2 ASN 35 -11.620 5.280 9.799 269 2HD2 ASN 35 2HD2 ASN 35 -13.316 5.112 10.267 270 H LYS 36 H LYS 36 -8.669 1.688 8.776 271 HA LYS 36 HA LYS 36 -6.471 0.663 10.264 272 1HB LYS 36 1HB LYS 36 -7.193 -1.609 10.732 273 2HB LYS 36 2HB LYS 36 -8.124 -0.445 11.644 274 1HG LYS 36 1HG LYS 36 -10.006 -0.664 10.011 275 2HG LYS 36 2HG LYS 36 -9.068 -1.893 9.130 276 1HD LYS 36 1HD LYS 36 -8.932 -3.263 11.206 277 2HD LYS 36 2HD LYS 36 -9.875 -2.038 12.074 278 1HE LYS 36 1HE LYS 36 -11.785 -2.416 10.513 279 2HE LYS 36 2HE LYS 36 -10.842 -3.668 9.678 280 1HZ LYS 36 1HZ LYS 36 -10.758 -4.880 11.737 281 2HZ LYS 36 2HZ LYS 36 -11.642 -3.719 12.503 282 3HZ LYS 36 3HZ LYS 36 -12.320 -4.602 11.290 283 H VAL 37 H VAL 37 -6.139 -1.835 9.064 284 HA VAL 37 HA VAL 37 -6.461 -1.446 6.149 285 HB VAL 37 HB VAL 37 -3.931 -2.306 7.629 286 1HG1 VAL 37 1HG1 VAL 37 -4.185 -3.635 5.570 287 2HG1 VAL 37 2HG1 VAL 37 -4.442 -2.146 4.634 288 3HG1 VAL 37 3HG1 VAL 37 -2.878 -2.461 5.403 289 1HG2 VAL 37 1HG2 VAL 37 -4.476 0.109 5.851 290 2HG2 VAL 37 2HG2 VAL 37 -4.184 0.142 7.604 291 3HG2 VAL 37 3HG2 VAL 37 -2.893 -0.347 6.500 292 H ILE 38 H ILE 38 -6.797 -3.482 5.076 293 HA ILE 38 HA ILE 38 -6.763 -5.913 6.750 294 HB ILE 38 HB ILE 38 -8.978 -6.617 5.949 295 1HG1 ILE 38 1HG1 ILE 38 -9.572 -3.724 5.270 296 2HG1 ILE 38 2HG1 ILE 38 -9.011 -4.858 4.030 297 1HG2 ILE 38 1HG2 ILE 38 -8.628 -5.673 8.223 298 2HG2 ILE 38 2HG2 ILE 38 -9.110 -4.075 7.617 299 3HG2 ILE 38 3HG2 ILE 38 -10.266 -5.419 7.616 300 1HD1 ILE 38 1HD1 ILE 38 -10.874 -6.378 4.483 301 2HD1 ILE 38 2HD1 ILE 38 -11.503 -5.270 5.722 302 3HD1 ILE 38 3HD1 ILE 38 -11.450 -4.766 4.026 303 H ARG 39 H ARG 39 -7.167 -7.832 5.444 304 HA ARG 39 HA ARG 39 -5.296 -7.956 3.333 305 1HB ARG 39 1HB ARG 39 -6.096 -10.372 3.228 306 2HB ARG 39 2HB ARG 39 -5.489 -9.795 4.770 307 1HG ARG 39 1HG ARG 39 -8.407 -9.390 4.581 308 2HG ARG 39 2HG ARG 39 -7.976 -11.047 4.193 309 1HD ARG 39 1HD ARG 39 -7.038 -9.583 6.705 310 2HD ARG 39 2HD ARG 39 -8.412 -10.678 6.652 311 HE ARG 39 HE ARG 39 -5.573 -11.337 6.663 312 1HH1 ARG 39 1HH1 ARG 39 -8.771 -12.549 5.772 313 2HH1 ARG 39 2HH1 ARG 39 -8.307 -14.227 5.824 314 1HH2 ARG 39 1HH2 ARG 39 -4.941 -13.519 6.692 315 2HH2 ARG 39 2HH2 ARG 39 -6.086 -14.784 6.344 316 HA PRO 40 HA PRO 40 -5.003 -9.636 1.479 317 1HB PRO 40 1HB PRO 40 -4.388 -9.182 -1.134 318 2HB PRO 40 2HB PRO 40 -5.557 -10.426 -0.607 319 1HG PRO 40 1HG PRO 40 -6.177 -7.602 -1.530 320 2HG PRO 40 2HG PRO 40 -6.897 -9.128 -2.130 321 1HD PRO 40 1HD PRO 40 -8.162 -7.688 -0.246 322 2HD PRO 40 2HD PRO 40 -8.093 -9.453 -0.077 323 H CYS 41 H CYS 41 -2.908 -8.884 1.606 324 HA CYS 41 HA CYS 41 -2.304 -6.052 0.968 325 1HB CYS 41 1HB CYS 41 -1.459 -7.561 3.500 326 2HB CYS 41 2HB CYS 41 -0.918 -5.961 2.955 327 HG CYS 41 HG CYS 41 -3.725 -5.392 2.665 328 H MET 42 H MET 42 -1.223 -6.607 -0.909 329 HA MET 42 HA MET 42 0.550 -8.994 -0.822 330 1HB MET 42 1HB MET 42 -1.628 -8.478 -2.453 331 2HB MET 42 2HB MET 42 -0.277 -7.979 -3.469 332 1HG MET 42 1HG MET 42 0.800 -10.224 -2.952 333 2HG MET 42 2HG MET 42 -0.660 -10.640 -2.045 334 1HE MET 42 1HE MET 42 0.435 -12.581 -4.130 335 2HE MET 42 2HE MET 42 -1.122 -12.844 -3.310 336 3HE MET 42 3HE MET 42 -1.013 -12.995 -5.080 337 H LYS 43 H LYS 43 2.667 -8.759 -1.181 338 HA LYS 43 HA LYS 43 3.723 -6.052 -1.835 339 1HB LYS 43 1HB LYS 43 4.318 -6.950 0.372 340 2HB LYS 43 2HB LYS 43 4.965 -8.412 -0.399 341 1HG LYS 43 1HG LYS 43 6.693 -6.993 -1.561 342 2HG LYS 43 2HG LYS 43 5.981 -5.559 -0.810 343 1HD LYS 43 1HD LYS 43 7.938 -6.169 0.439 344 2HD LYS 43 2HD LYS 43 6.529 -6.534 1.448 345 1HE LYS 43 1HE LYS 43 6.715 -8.942 0.864 346 2HE LYS 43 2HE LYS 43 8.060 -8.580 -0.234 347 1HZ LYS 43 1HZ LYS 43 9.300 -7.822 1.661 348 2HZ LYS 43 2HZ LYS 43 8.038 -8.156 2.670 349 3HZ LYS 43 3HZ LYS 43 8.801 -9.379 1.872 350 H LYS 44 H LYS 44 5.128 -5.828 -3.543 351 HA LYS 44 HA LYS 44 6.249 -8.231 -4.835 352 1HB LYS 44 1HB LYS 44 4.471 -7.855 -6.321 353 2HB LYS 44 2HB LYS 44 4.623 -6.095 -6.261 354 1HG LYS 44 1HG LYS 44 6.687 -6.171 -7.519 355 2HG LYS 44 2HG LYS 44 6.727 -7.955 -7.449 356 1HD LYS 44 1HD LYS 44 4.631 -8.015 -8.767 357 2HD LYS 44 2HD LYS 44 4.690 -6.250 -8.929 358 1HE LYS 44 1HE LYS 44 6.767 -8.278 -9.910 359 2HE LYS 44 2HE LYS 44 5.644 -7.353 -10.920 360 1HZ LYS 44 1HZ LYS 44 6.746 -5.353 -10.181 361 2HZ LYS 44 2HZ LYS 44 7.823 -6.225 -9.287 362 3HZ LYS 44 3HZ LYS 44 7.798 -6.378 -10.927 363 H THR 45 H THR 45 8.200 -7.807 -5.918 364 HA THR 45 HA THR 45 9.795 -5.650 -4.706 365 HB THR 45 HB THR 45 10.556 -7.948 -6.560 366 HG1 THR 45 HG1 THR 45 9.673 -8.468 -4.420 367 1HG2 THR 45 1HG2 THR 45 12.265 -6.166 -6.562 368 2HG2 THR 45 2HG2 THR 45 12.228 -6.130 -4.783 369 3HG2 THR 45 3HG2 THR 45 12.827 -7.570 -5.640 370 H ILE 46 H ILE 46 10.643 -3.910 -5.842 371 HA ILE 46 HA ILE 46 9.821 -3.574 -8.676 372 HB ILE 46 HB ILE 46 9.057 -2.039 -6.424 373 1HG1 ILE 46 1HG1 ILE 46 7.827 -0.714 -8.118 374 2HG1 ILE 46 2HG1 ILE 46 8.680 -1.581 -9.402 375 1HG2 ILE 46 1HG2 ILE 46 11.133 -0.716 -6.625 376 2HG2 ILE 46 2HG2 ILE 46 10.759 -0.392 -8.334 377 3HG2 ILE 46 3HG2 ILE 46 9.708 0.227 -7.049 378 1HD1 ILE 46 1HD1 ILE 46 7.619 -3.700 -8.682 379 2HD1 ILE 46 2HD1 ILE 46 6.932 -2.890 -7.262 380 3HD1 ILE 46 3HD1 ILE 46 6.382 -2.456 -8.895 381 H TYR 47 H TYR 47 11.386 -3.017 -10.118 382 HA TYR 47 HA TYR 47 14.058 -2.275 -9.343 383 1HB TYR 47 1HB TYR 47 15.095 -4.392 -9.777 384 2HB TYR 47 2HB TYR 47 13.893 -4.604 -8.500 385 HD1 TYR 47 HD1 TYR 47 11.743 -5.766 -8.917 386 HD2 TYR 47 HD2 TYR 47 14.982 -5.748 -11.765 387 HE1 TYR 47 HE1 TYR 47 10.984 -7.931 -9.784 388 HE2 TYR 47 HE2 TYR 47 14.218 -7.928 -12.636 389 HH TYR 47 HH TYR 47 11.567 -9.759 -11.117 390 H GLU 48 H GLU 48 15.538 -2.951 -11.356 391 HA GLU 48 HA GLU 48 14.139 -2.581 -13.897 392 1HB GLU 48 1HB GLU 48 16.506 -0.904 -12.908 393 2HB GLU 48 2HB GLU 48 15.801 -0.840 -14.525 394 1HG GLU 48 1HG GLU 48 14.423 -0.011 -11.925 395 2HG GLU 48 2HG GLU 48 15.078 1.067 -13.159 396 H ASN 49 H ASN 49 15.624 -3.121 -15.588 397 HA ASN 49 HA ASN 49 16.863 -5.596 -15.361 398 1HB ASN 49 1HB ASN 49 17.376 -3.357 -17.379 399 2HB ASN 49 2HB ASN 49 18.019 -4.991 -17.517 400 1HD2 ASN 49 1HD2 ASN 49 15.242 -2.998 -18.137 401 2HD2 ASN 49 2HD2 ASN 49 14.197 -4.312 -18.640 402 H GLU 50 H GLU 50 18.574 -2.458 -15.650 403 HA GLU 50 HA GLU 50 20.647 -1.787 -15.128 404 1HB GLU 50 1HB GLU 50 19.799 -2.275 -12.864 405 2HB GLU 50 2HB GLU 50 20.447 -3.910 -12.935 406 1HG GLU 50 1HG GLU 50 21.742 -2.268 -11.564 407 2HG GLU 50 2HG GLU 50 22.704 -3.126 -12.748 408 H GLY 51 H GLY 51 23.081 -2.822 -14.724 409 1HA GLY 51 1HA GLY 51 23.865 -4.180 -17.005 410 2HA GLY 51 2HA GLY 51 24.764 -4.200 -15.477 411 H PHE 52 H PHE 52 22.795 -5.540 -13.943 412 HA PHE 52 HA PHE 52 22.329 -8.172 -15.208 413 1HB PHE 52 1HB PHE 52 23.884 -7.872 -12.601 414 2HB PHE 52 2HB PHE 52 23.271 -9.376 -13.272 415 HD1 PHE 52 HD1 PHE 52 24.085 -10.095 -15.622 416 HD2 PHE 52 HD2 PHE 52 26.065 -7.088 -13.244 417 HE1 PHE 52 HE1 PHE 52 26.168 -10.434 -16.920 418 HE2 PHE 52 HE2 PHE 52 28.143 -7.429 -14.550 419 HZ PHE 52 HZ PHE 52 28.202 -9.106 -16.385 420 H ARG 53 H ARG 53 22.142 -6.409 -12.050 421 HA ARG 53 HA ARG 53 19.302 -6.398 -11.949 422 1HB ARG 53 1HB ARG 53 19.220 -7.904 -9.870 423 2HB ARG 53 2HB ARG 53 19.293 -8.718 -11.435 424 1HG ARG 53 1HG ARG 53 21.660 -9.189 -11.174 425 2HG ARG 53 2HG ARG 53 21.751 -8.242 -9.681 426 1HD ARG 53 1HD ARG 53 19.987 -10.719 -10.015 427 2HD ARG 53 2HD ARG 53 21.651 -10.766 -9.465 428 HE ARG 53 HE ARG 53 21.181 -9.717 -7.476 429 1HH1 ARG 53 1HH1 ARG 53 18.194 -10.003 -9.359 430 2HH1 ARG 53 2HH1 ARG 53 17.153 -9.898 -7.968 431 1HH2 ARG 53 1HH2 ARG 53 19.843 -9.570 -5.677 432 2HH2 ARG 53 2HH2 ARG 53 18.109 -9.630 -5.837 433 H GLU 54 H GLU 54 18.649 -5.098 -10.194 434 HA GLU 54 HA GLU 54 20.216 -4.646 -7.912 435 1HB GLU 54 1HB GLU 54 21.462 -3.175 -9.553 436 2HB GLU 54 2HB GLU 54 20.009 -2.171 -9.695 437 1HG GLU 54 1HG GLU 54 21.583 -2.762 -7.133 438 2HG GLU 54 2HG GLU 54 21.791 -1.326 -8.137 439 H ILE 55 H ILE 55 18.342 -5.208 -6.855 440 HA ILE 55 HA ILE 55 15.761 -4.240 -7.496 441 HB ILE 55 HB ILE 55 16.927 -5.478 -4.984 442 1HG1 ILE 55 1HG1 ILE 55 14.969 -6.632 -7.025 443 2HG1 ILE 55 2HG1 ILE 55 16.718 -6.790 -7.204 444 1HG2 ILE 55 1HG2 ILE 55 15.012 -4.160 -4.236 445 2HG2 ILE 55 2HG2 ILE 55 14.034 -4.744 -5.593 446 3HG2 ILE 55 3HG2 ILE 55 14.529 -5.843 -4.284 447 1HD1 ILE 55 1HD1 ILE 55 16.876 -7.942 -5.027 448 2HD1 ILE 55 2HD1 ILE 55 15.108 -7.900 -4.876 449 3HD1 ILE 55 3HD1 ILE 55 15.856 -8.799 -6.201 450 H LYS 56 H LYS 56 15.162 -2.176 -7.474 451 HA LYS 56 HA LYS 56 16.581 -0.215 -5.873 452 1HB LYS 56 1HB LYS 56 15.767 0.094 -8.253 453 2HB LYS 56 2HB LYS 56 14.114 0.146 -7.613 454 1HG LYS 56 1HG LYS 56 14.833 2.121 -6.159 455 2HG LYS 56 2HG LYS 56 16.433 1.993 -6.899 456 1HD LYS 56 1HD LYS 56 15.290 3.761 -7.999 457 2HD LYS 56 2HD LYS 56 15.358 2.417 -9.151 458 1HE LYS 56 1HE LYS 56 12.997 1.844 -8.626 459 2HE LYS 56 2HE LYS 56 12.959 3.091 -7.363 460 1HZ LYS 56 1HZ LYS 56 13.308 4.727 -9.056 461 2HZ LYS 56 2HZ LYS 56 13.347 3.571 -10.231 462 3HZ LYS 56 3HZ LYS 56 11.962 3.834 -9.379 463 H GLY 57 H GLY 57 13.381 -1.884 -5.718 464 1HA GLY 57 1HA GLY 57 12.894 -0.874 -3.029 465 2HA GLY 57 2HA GLY 57 12.014 -0.003 -4.311 466 H TYR 58 H TYR 58 10.120 -0.822 -3.108 467 HA TYR 58 HA TYR 58 9.182 -3.368 -4.239 468 1HB TYR 58 1HB TYR 58 8.824 -2.797 -1.299 469 2HB TYR 58 2HB TYR 58 8.508 -4.276 -2.170 470 HD1 TYR 58 HD1 TYR 58 11.191 -2.099 -0.795 471 HD2 TYR 58 HD2 TYR 58 10.286 -5.954 -2.494 472 HE1 TYR 58 HE1 TYR 58 13.506 -2.833 -0.356 473 HE2 TYR 58 HE2 TYR 58 12.629 -6.651 -2.146 474 HH TYR 58 HH TYR 58 14.735 -6.014 -1.414 475 H GLU 59 H GLU 59 6.843 -3.523 -3.979 476 HA GLU 59 HA GLU 59 5.447 -1.004 -3.350 477 1HB GLU 59 1HB GLU 59 3.983 -1.164 -5.119 478 2HB GLU 59 2HB GLU 59 5.577 -1.373 -5.845 479 1HG GLU 59 1HG GLU 59 5.142 -3.888 -5.742 480 2HG GLU 59 2HG GLU 59 3.482 -3.518 -5.231 481 H TYR 60 H TYR 60 3.438 -1.314 -2.368 482 HA TYR 60 HA TYR 60 2.764 -4.048 -1.388 483 1HB TYR 60 1HB TYR 60 2.801 -1.516 0.255 484 2HB TYR 60 2HB TYR 60 2.319 -3.109 0.790 485 HD1 TYR 60 HD1 TYR 60 3.893 -4.419 1.964 486 HD2 TYR 60 HD2 TYR 60 5.289 -1.169 -0.500 487 HE1 TYR 60 HE1 TYR 60 6.146 -4.595 2.984 488 HE2 TYR 60 HE2 TYR 60 7.572 -1.499 0.359 489 HH TYR 60 HH TYR 60 8.942 -2.710 1.818 490 H GLN 61 H GLN 61 0.837 -4.345 -2.344 491 HA GLN 61 HA GLN 61 -1.036 -2.055 -2.715 492 1HB GLN 61 1HB GLN 61 -0.449 -3.328 -4.732 493 2HB GLN 61 2HB GLN 61 -1.115 -4.801 -3.999 494 1HG GLN 61 1HG GLN 61 -3.340 -3.790 -3.889 495 2HG GLN 61 2HG GLN 61 -2.698 -2.211 -4.369 496 1HE2 GLN 61 1HE2 GLN 61 -2.940 -1.701 -6.523 497 2HE2 GLN 61 2HE2 GLN 61 -3.113 -2.895 -7.796 498 H LEU 62 H LEU 62 -2.577 -1.848 -1.157 499 HA LEU 62 HA LEU 62 -3.581 -4.250 0.233 500 1HB LEU 62 1HB LEU 62 -3.025 -3.212 2.459 501 2HB LEU 62 2HB LEU 62 -1.673 -3.828 1.515 502 HG LEU 62 HG LEU 62 -1.214 -1.410 0.767 503 1HD1 LEU 62 1HD1 LEU 62 -3.315 -0.310 1.475 504 2HD1 LEU 62 2HD1 LEU 62 -3.048 -0.845 3.148 505 3HD1 LEU 62 3HD1 LEU 62 -1.952 0.326 2.394 506 1HD2 LEU 62 1HD2 LEU 62 -0.935 -2.197 3.686 507 2HD2 LEU 62 2HD2 LEU 62 0.160 -2.665 2.367 508 3HD2 LEU 62 3HD2 LEU 62 0.027 -0.964 2.843 509 H TYR 63 H TYR 63 -5.397 -3.849 1.644 510 HA TYR 63 HA TYR 63 -7.073 -1.692 0.537 511 1HB TYR 63 1HB TYR 63 -7.500 -4.436 1.635 512 2HB TYR 63 2HB TYR 63 -8.671 -3.249 2.158 513 HD1 TYR 63 HD1 TYR 63 -8.880 -5.764 0.266 514 HD2 TYR 63 HD2 TYR 63 -9.119 -1.509 -0.120 515 HE1 TYR 63 HE1 TYR 63 -10.422 -6.026 -1.671 516 HE2 TYR 63 HE2 TYR 63 -10.796 -1.737 -1.844 517 HH TYR 63 HH TYR 63 -12.266 -3.273 -2.836 518 H VAL 64 H VAL 64 -7.160 0.142 1.629 519 HA VAL 64 HA VAL 64 -6.748 0.098 4.575 520 HB VAL 64 HB VAL 64 -5.130 1.405 3.394 521 1HG1 VAL 64 1HG1 VAL 64 -6.343 2.135 1.389 522 2HG1 VAL 64 2HG1 VAL 64 -7.412 3.153 2.383 523 3HG1 VAL 64 3HG1 VAL 64 -5.679 3.505 2.278 524 1HG2 VAL 64 1HG2 VAL 64 -7.047 3.231 4.896 525 2HG2 VAL 64 2HG2 VAL 64 -5.981 2.037 5.661 526 3HG2 VAL 64 3HG2 VAL 64 -5.277 3.370 4.741 527 H TYR 65 H TYR 65 -8.324 0.699 5.903 528 HA TYR 65 HA TYR 65 -11.013 1.307 4.825 529 1HB TYR 65 1HB TYR 65 -9.915 -0.159 7.155 530 2HB TYR 65 2HB TYR 65 -11.118 1.015 7.609 531 HD1 TYR 65 HD1 TYR 65 -13.204 1.058 5.734 532 HD2 TYR 65 HD2 TYR 65 -10.930 -2.281 7.248 533 HE1 TYR 65 HE1 TYR 65 -15.128 -0.433 5.323 534 HE2 TYR 65 HE2 TYR 65 -12.907 -3.748 6.940 535 HH TYR 65 HH TYR 65 -15.967 -2.569 5.531 536 H ALA 66 H ALA 66 -11.616 3.387 4.825 537 HA ALA 66 HA ALA 66 -10.470 5.244 6.843 538 1HB ALA 66 1HB ALA 66 -9.997 6.893 5.174 539 2HB ALA 66 2HB ALA 66 -9.235 5.393 4.650 540 3HB ALA 66 3HB ALA 66 -10.746 5.915 3.885 541 H SER 67 H SER 67 -12.002 6.235 7.837 542 HA SER 67 HA SER 67 -13.838 7.243 8.552 543 1HB SER 67 1HB SER 67 -14.130 8.291 6.267 544 2HB SER 67 2HB SER 67 -15.185 6.936 5.831 545 HG SER 67 HG SER 67 -16.414 8.614 6.690 546 H ASP 68 H ASP 68 -14.676 4.901 6.213 547 HA ASP 68 HA ASP 68 -15.337 2.627 7.752 548 1HB ASP 68 1HB ASP 68 -17.717 2.624 7.727 549 2HB ASP 68 2HB ASP 68 -17.244 4.111 8.547 550 H LYS 69 H LYS 69 -14.340 3.862 4.951 551 HA LYS 69 HA LYS 69 -15.857 2.046 3.138 552 1HB LYS 69 1HB LYS 69 -14.847 4.897 2.805 553 2HB LYS 69 2HB LYS 69 -15.132 3.827 1.423 554 1HG LYS 69 1HG LYS 69 -17.475 3.557 2.032 555 2HG LYS 69 2HG LYS 69 -17.246 4.522 3.503 556 1HD LYS 69 1HD LYS 69 -16.691 6.505 2.200 557 2HD LYS 69 2HD LYS 69 -16.700 5.575 0.689 558 1HE LYS 69 1HE LYS 69 -19.111 5.105 0.962 559 2HE LYS 69 2HE LYS 69 -19.125 5.992 2.499 560 1HZ LYS 69 1HZ LYS 69 -18.521 7.959 1.302 561 2HZ LYS 69 2HZ LYS 69 -18.472 7.138 -0.126 562 3HZ LYS 69 3HZ LYS 69 -19.901 7.316 0.674 563 H LEU 70 H LEU 70 -14.541 1.057 1.535 564 HA LEU 70 HA LEU 70 -11.792 0.660 2.539 565 1HB LEU 70 1HB LEU 70 -13.629 -1.175 2.552 566 2HB LEU 70 2HB LEU 70 -13.420 -1.202 0.796 567 HG LEU 70 HG LEU 70 -10.899 -1.523 1.307 568 1HD1 LEU 70 1HD1 LEU 70 -10.946 -0.933 3.727 569 2HD1 LEU 70 2HD1 LEU 70 -12.036 -2.306 4.012 570 3HD1 LEU 70 3HD1 LEU 70 -10.373 -2.572 3.465 571 1HD2 LEU 70 1HD2 LEU 70 -12.904 -3.682 2.099 572 2HD2 LEU 70 2HD2 LEU 70 -12.364 -3.320 0.443 573 3HD2 LEU 70 3HD2 LEU 70 -11.220 -3.978 1.626 574 H PHE 71 H PHE 71 -10.144 1.350 1.332 575 HA PHE 71 HA PHE 71 -10.538 1.847 -1.598 576 1HB PHE 71 1HB PHE 71 -8.860 3.417 0.387 577 2HB PHE 71 2HB PHE 71 -9.016 3.727 -1.335 578 HD1 PHE 71 HD1 PHE 71 -10.828 5.082 -2.177 579 HD2 PHE 71 HD2 PHE 71 -10.835 3.770 1.933 580 HE1 PHE 71 HE1 PHE 71 -12.547 6.779 -1.631 581 HE2 PHE 71 HE2 PHE 71 -12.616 5.403 2.449 582 HZ PHE 71 HZ PHE 71 -13.484 6.913 0.668 583 H ARG 72 H ARG 72 -8.825 1.187 -2.902 584 HA ARG 72 HA ARG 72 -6.919 -0.686 -1.595 585 1HB ARG 72 1HB ARG 72 -8.539 -1.397 -3.479 586 2HB ARG 72 2HB ARG 72 -7.449 -0.521 -4.567 587 1HG ARG 72 1HG ARG 72 -5.548 -1.927 -3.709 588 2HG ARG 72 2HG ARG 72 -6.676 -2.747 -2.610 589 1HD ARG 72 1HD ARG 72 -8.012 -3.497 -4.588 590 2HD ARG 72 2HD ARG 72 -6.763 -2.796 -5.650 591 HE ARG 72 HE ARG 72 -5.544 -4.544 -3.749 592 1HH1 ARG 72 1HH1 ARG 72 -7.667 -4.697 -6.561 593 2HH1 ARG 72 2HH1 ARG 72 -7.177 -6.305 -7.024 594 1HH2 ARG 72 1HH2 ARG 72 -4.856 -6.621 -4.356 595 2HH2 ARG 72 2HH2 ARG 72 -5.552 -7.422 -5.735 596 H ALA 73 H ALA 73 -4.927 0.118 -1.254 597 HA ALA 73 HA ALA 73 -4.003 2.470 -2.854 598 1HB ALA 73 1HB ALA 73 -2.810 3.172 -0.860 599 2HB ALA 73 2HB ALA 73 -4.542 3.003 -0.503 600 3HB ALA 73 3HB ALA 73 -3.399 1.752 0.035 601 H ASP 74 H ASP 74 -2.069 2.342 -3.797 602 HA ASP 74 HA ASP 74 -0.351 -0.052 -3.344 603 1HB ASP 74 1HB ASP 74 -1.060 0.102 -5.613 604 2HB ASP 74 2HB ASP 74 -0.488 1.783 -5.748 605 H ILE 75 H ILE 75 0.927 0.432 -1.819 606 HA ILE 75 HA ILE 75 2.151 3.121 -1.434 607 HB ILE 75 HB ILE 75 2.448 0.658 0.310 608 1HG1 ILE 75 1HG1 ILE 75 0.070 0.915 0.239 609 2HG1 ILE 75 2HG1 ILE 75 0.666 1.484 1.790 610 1HG2 ILE 75 1HG2 ILE 75 4.042 2.413 0.831 611 2HG2 ILE 75 2HG2 ILE 75 2.739 3.617 0.940 612 3HG2 ILE 75 3HG2 ILE 75 2.839 2.286 2.105 613 1HD1 ILE 75 1HD1 ILE 75 0.459 3.841 1.022 614 2HD1 ILE 75 2HD1 ILE 75 -0.124 3.262 -0.556 615 3HD1 ILE 75 3HD1 ILE 75 -1.073 2.955 0.903 616 H SER 76 H SER 76 4.632 3.100 -1.143 617 HA SER 76 HA SER 76 5.932 0.678 -2.185 618 1HB SER 76 1HB SER 76 7.145 2.026 -3.898 619 2HB SER 76 2HB SER 76 5.394 1.921 -4.192 620 HG SER 76 HG SER 76 5.219 3.970 -3.129 621 H GLU 77 H GLU 77 8.262 0.863 -2.181 622 HA GLU 77 HA GLU 77 9.372 2.590 -0.034 623 1HB GLU 77 1HB GLU 77 8.763 0.337 0.890 624 2HB GLU 77 2HB GLU 77 9.704 -0.404 -0.411 625 1HG GLU 77 1HG GLU 77 11.750 0.864 0.544 626 2HG GLU 77 2HG GLU 77 10.727 1.259 1.933 627 H ASP 78 H ASP 78 11.267 3.483 -0.699 628 HA ASP 78 HA ASP 78 12.735 2.382 -3.058 629 1HB ASP 78 1HB ASP 78 12.715 5.078 -1.640 630 2HB ASP 78 2HB ASP 78 13.994 4.580 -2.751 631 H TYR 79 H TYR 79 14.170 0.877 -2.417 632 HA TYR 79 HA TYR 79 14.812 0.265 0.240 633 1HB TYR 79 1HB TYR 79 14.995 -1.303 -1.653 634 2HB TYR 79 2HB TYR 79 16.315 -0.354 -2.330 635 HD1 TYR 79 HD1 TYR 79 18.516 -1.026 -1.900 636 HD2 TYR 79 HD2 TYR 79 15.402 -2.123 0.880 637 HE1 TYR 79 HE1 TYR 79 20.139 -2.362 -0.608 638 HE2 TYR 79 HE2 TYR 79 17.029 -3.492 2.152 639 HH TYR 79 HH TYR 79 20.462 -3.756 1.198 640 H LYS 80 H LYS 80 16.428 2.379 -2.067 641 HA LYS 80 HA LYS 80 18.952 2.787 -1.096 642 1HB LYS 80 1HB LYS 80 16.860 4.670 -2.270 643 2HB LYS 80 2HB LYS 80 18.533 5.156 -1.988 644 1HG LYS 80 1HG LYS 80 19.395 3.517 -3.500 645 2HG LYS 80 2HG LYS 80 17.813 2.747 -3.714 646 1HD LYS 80 1HD LYS 80 16.892 4.704 -4.790 647 2HD LYS 80 2HD LYS 80 18.335 5.668 -4.445 648 1HE LYS 80 1HE LYS 80 18.370 3.155 -6.184 649 2HE LYS 80 2HE LYS 80 18.153 4.794 -6.823 650 1HZ LYS 80 1HZ LYS 80 20.265 5.381 -5.897 651 2HZ LYS 80 2HZ LYS 80 20.485 3.857 -5.310 652 3HZ LYS 80 3HZ LYS 80 20.414 4.111 -6.936 653 H THR 81 H THR 81 15.925 4.105 0.188 654 HA THR 81 HA THR 81 17.464 5.190 2.546 655 HB THR 81 HB THR 81 14.909 6.439 1.501 656 HG1 THR 81 HG1 THR 81 16.575 6.477 -0.123 657 1HG2 THR 81 1HG2 THR 81 15.603 7.149 3.780 658 2HG2 THR 81 2HG2 THR 81 17.228 7.526 3.166 659 3HG2 THR 81 3HG2 THR 81 15.826 8.461 2.618 660 H ARG 82 H ARG 82 15.455 2.752 1.577 661 HA ARG 82 HA ARG 82 13.719 1.585 2.389 662 1HB ARG 82 1HB ARG 82 15.443 1.431 4.352 663 2HB ARG 82 2HB ARG 82 14.358 2.551 5.190 664 1HG ARG 82 1HG ARG 82 12.479 0.808 4.568 665 2HG ARG 82 2HG ARG 82 13.830 -0.284 4.231 666 1HD ARG 82 1HD ARG 82 13.275 1.152 6.863 667 2HD ARG 82 2HD ARG 82 12.950 -0.563 6.513 668 HE ARG 82 HE ARG 82 15.682 -0.053 5.974 669 1HH1 ARG 82 1HH1 ARG 82 13.476 -0.200 8.723 670 2HH1 ARG 82 2HH1 ARG 82 14.693 -0.696 9.867 671 1HH2 ARG 82 1HH2 ARG 82 17.298 -0.687 7.454 672 2HH2 ARG 82 2HH2 ARG 82 16.913 -0.973 9.130 673 H GLY 83 H GLY 83 13.308 4.285 1.486 674 1HA GLY 83 1HA GLY 83 11.566 5.647 3.473 675 2HA GLY 83 2HA GLY 83 12.190 6.334 1.974 676 H ARG 84 H ARG 84 9.382 5.596 3.278 677 HA ARG 84 HA ARG 84 8.262 4.314 0.862 678 1HB ARG 84 1HB ARG 84 7.111 4.410 3.654 679 2HB ARG 84 2HB ARG 84 6.370 3.616 2.266 680 1HG ARG 84 1HG ARG 84 8.500 2.263 2.008 681 2HG ARG 84 2HG ARG 84 8.970 2.805 3.620 682 1HD ARG 84 1HD ARG 84 6.911 1.740 4.547 683 2HD ARG 84 2HD ARG 84 6.352 1.400 2.897 684 HE ARG 84 HE ARG 84 7.526 -0.496 2.851 685 1HH1 ARG 84 1HH1 ARG 84 9.018 1.568 5.281 686 2HH1 ARG 84 2HH1 ARG 84 10.054 0.327 5.925 687 1HH2 ARG 84 1HH2 ARG 84 8.805 -2.169 3.701 688 2HH2 ARG 84 2HH2 ARG 84 9.946 -1.847 4.981 689 H LYS 85 H LYS 85 5.978 4.761 0.610 690 HA LYS 85 HA LYS 85 4.954 7.434 0.678 691 1HB LYS 85 1HB LYS 85 5.582 8.146 -1.606 692 2HB LYS 85 2HB LYS 85 7.043 7.820 -0.664 693 1HG LYS 85 1HG LYS 85 6.760 5.359 -1.684 694 2HG LYS 85 2HG LYS 85 5.802 6.208 -2.907 695 1HD LYS 85 1HD LYS 85 8.664 6.845 -2.090 696 2HD LYS 85 2HD LYS 85 8.187 5.798 -3.437 697 1HE LYS 85 1HE LYS 85 6.912 7.726 -4.459 698 2HE LYS 85 2HE LYS 85 7.536 8.781 -3.177 699 1HZ LYS 85 1HZ LYS 85 9.747 8.284 -3.956 700 2HZ LYS 85 2HZ LYS 85 9.150 7.312 -5.144 701 3HZ LYS 85 3HZ LYS 85 8.831 8.928 -5.166 702 H LEU 86 H LEU 86 3.177 7.812 -0.865 703 HA LEU 86 HA LEU 86 1.684 5.365 -1.575 704 1HB LEU 86 1HB LEU 86 0.584 7.193 -0.305 705 2HB LEU 86 2HB LEU 86 1.033 8.338 -1.571 706 HG LEU 86 HG LEU 86 -0.468 7.165 -3.169 707 1HD1 LEU 86 1HD1 LEU 86 -0.447 4.890 -2.247 708 2HD1 LEU 86 2HD1 LEU 86 -1.161 5.471 -0.721 709 3HD1 LEU 86 3HD1 LEU 86 -2.096 5.501 -2.225 710 1HD2 LEU 86 1HD2 LEU 86 -1.781 7.957 -0.530 711 2HD2 LEU 86 2HD2 LEU 86 -1.243 9.081 -1.797 712 3HD2 LEU 86 3HD2 LEU 86 -2.555 7.949 -2.126 713 H LEU 87 H LEU 87 1.391 4.765 -3.779 714 HA LEU 87 HA LEU 87 2.410 6.671 -5.873 715 1HB LEU 87 1HB LEU 87 2.023 3.661 -5.894 716 2HB LEU 87 2HB LEU 87 2.265 4.619 -7.357 717 HG LEU 87 HG LEU 87 4.229 4.553 -5.042 718 1HD1 LEU 87 1HD1 LEU 87 4.036 2.338 -6.122 719 2HD1 LEU 87 2HD1 LEU 87 4.277 3.080 -7.716 720 3HD1 LEU 87 3HD1 LEU 87 5.589 3.091 -6.520 721 1HD2 LEU 87 1HD2 LEU 87 4.434 5.672 -7.877 722 2HD2 LEU 87 2HD2 LEU 87 4.527 6.596 -6.359 723 3HD2 LEU 87 3HD2 LEU 87 5.813 5.467 -6.777 724 H ARG 88 H ARG 88 -0.254 4.308 -5.276 725 HA ARG 88 HA ARG 88 -2.102 6.192 -6.650 726 1HB ARG 88 1HB ARG 88 -1.444 3.362 -7.509 727 2HB ARG 88 2HB ARG 88 -3.081 3.999 -7.729 728 1HG ARG 88 1HG ARG 88 -2.297 5.870 -9.031 729 2HG ARG 88 2HG ARG 88 -0.601 5.437 -8.773 730 1HD ARG 88 1HD ARG 88 -2.601 3.605 -10.167 731 2HD ARG 88 2HD ARG 88 -1.583 4.796 -11.006 732 HE ARG 88 HE ARG 88 0.061 3.186 -9.330 733 1HH1 ARG 88 1HH1 ARG 88 -1.803 2.977 -12.320 734 2HH1 ARG 88 2HH1 ARG 88 -0.709 1.867 -13.100 735 1HH2 ARG 88 1HH2 ARG 88 1.509 1.736 -10.330 736 2HH2 ARG 88 2HH2 ARG 88 1.209 1.144 -11.941 737 H PHE 89 H PHE 89 -4.265 5.927 -6.091 738 HA PHE 89 HA PHE 89 -4.929 4.230 -3.761 739 1HB PHE 89 1HB PHE 89 -3.973 6.450 -3.003 740 2HB PHE 89 2HB PHE 89 -5.299 7.255 -3.821 741 HD1 PHE 89 HD1 PHE 89 -4.205 5.691 -0.769 742 HD2 PHE 89 HD2 PHE 89 -7.709 6.715 -3.076 743 HE1 PHE 89 HE1 PHE 89 -5.592 5.615 1.280 744 HE2 PHE 89 HE2 PHE 89 -9.075 6.590 -1.028 745 HZ PHE 89 HZ PHE 89 -8.052 5.987 1.137 746 H ASN 90 H ASN 90 -6.645 3.130 -4.690 747 HA ASN 90 HA ASN 90 -8.528 4.700 -6.414 748 1HB ASN 90 1HB ASN 90 -7.893 1.738 -6.424 749 2HB ASN 90 2HB ASN 90 -9.008 2.575 -7.495 750 1HD2 ASN 90 1HD2 ASN 90 -6.889 0.961 -8.489 751 2HD2 ASN 90 2HD2 ASN 90 -5.773 2.029 -9.323 752 H GLY 91 H GLY 91 -10.717 4.372 -6.033 753 1HA GLY 91 1HA GLY 91 -12.166 2.519 -5.008 754 2HA GLY 91 2HA GLY 91 -11.432 3.036 -3.484 755 HA PRO 92 HA PRO 92 -13.069 2.895 -2.080 756 1HB PRO 92 1HB PRO 92 -15.682 2.551 -1.437 757 2HB PRO 92 2HB PRO 92 -14.649 3.871 -0.825 758 1HG PRO 92 1HG PRO 92 -16.603 3.963 -3.151 759 2HG PRO 92 2HG PRO 92 -16.477 5.130 -1.803 760 1HD PRO 92 1HD PRO 92 -15.299 5.550 -4.242 761 2HD PRO 92 2HD PRO 92 -14.522 6.100 -2.730 762 H VAL 93 H VAL 93 -13.294 0.664 -2.345 763 HA VAL 93 HA VAL 93 -15.099 -0.359 -4.420 764 HB VAL 93 HB VAL 93 -13.332 -1.933 -5.305 765 1HG1 VAL 93 1HG1 VAL 93 -14.394 -0.234 -6.670 766 2HG1 VAL 93 2HG1 VAL 93 -13.173 0.957 -6.181 767 3HG1 VAL 93 3HG1 VAL 93 -12.696 -0.471 -7.111 768 1HG2 VAL 93 1HG2 VAL 93 -11.407 0.219 -4.285 769 2HG2 VAL 93 2HG2 VAL 93 -11.416 -1.513 -3.890 770 3HG2 VAL 93 3HG2 VAL 93 -11.020 -0.996 -5.513 771 HA PRO 94 HA PRO 94 -15.308 -3.081 -0.862 772 1HB PRO 94 1HB PRO 94 -17.389 -4.691 -1.633 773 2HB PRO 94 2HB PRO 94 -17.634 -2.984 -1.160 774 1HG PRO 94 1HG PRO 94 -17.359 -4.121 -3.953 775 2HG PRO 94 2HG PRO 94 -18.608 -2.993 -3.353 776 1HD PRO 94 1HD PRO 94 -16.348 -2.192 -4.700 777 2HD PRO 94 2HD PRO 94 -17.091 -1.165 -3.436 778 HA PRO 95 HA PRO 95 -12.824 -6.391 -2.437 779 1HB PRO 95 1HB PRO 95 -13.218 -8.477 -0.694 780 2HB PRO 95 2HB PRO 95 -12.384 -6.966 -0.224 781 1HG PRO 95 1HG PRO 95 -15.303 -7.667 0.197 782 2HG PRO 95 2HG PRO 95 -14.143 -7.050 1.412 783 1HD PRO 95 1HD PRO 95 -15.865 -5.397 0.101 784 2HD PRO 95 2HD PRO 95 -14.199 -4.871 0.464 785 HA PRO 96 HA PRO 96 -15.538 -8.753 -5.076 786 1HB PRO 96 1HB PRO 96 -13.925 -10.788 -5.945 787 2HB PRO 96 2HB PRO 96 -13.693 -9.086 -6.441 788 1HG PRO 96 1HG PRO 96 -12.265 -10.565 -4.209 789 2HG PRO 96 2HG PRO 96 -11.530 -9.596 -5.521 790 1HD PRO 96 1HD PRO 96 -11.982 -8.545 -3.056 791 2HD PRO 96 2HD PRO 96 -12.255 -7.557 -4.522 Start of MODEL 8 1 1H GLY 1 1H GLY 1 7.809 -12.472 -11.043 2 2H GLY 1 2H GLY 1 6.751 -11.226 -10.901 3 3H GLY 1 3H GLY 1 8.176 -11.008 -11.722 4 1HA GLY 1 1HA GLY 1 9.415 -11.374 -9.695 5 2HA GLY 1 2HA GLY 1 8.319 -9.983 -9.575 6 H GLU 2 H GLU 2 9.230 -11.212 -7.264 7 HA GLU 2 HA GLU 2 7.564 -13.292 -6.257 8 1HB GLU 2 1HB GLU 2 9.048 -11.076 -4.750 9 2HB GLU 2 2HB GLU 2 8.345 -12.532 -4.059 10 1HG GLU 2 1HG GLU 2 10.644 -12.974 -4.212 11 2HG GLU 2 2HG GLU 2 9.871 -13.938 -5.474 12 H TRP 3 H TRP 3 5.661 -13.217 -5.069 13 HA TRP 3 HA TRP 3 4.514 -10.639 -4.281 14 1HB TRP 3 1HB TRP 3 3.110 -12.757 -5.945 15 2HB TRP 3 2HB TRP 3 2.230 -11.742 -4.808 16 HD1 TRP 3 HD1 TRP 3 3.662 -11.645 -8.256 17 HE1 TRP 3 HE1 TRP 3 3.085 -9.428 -9.370 18 HE3 TRP 3 HE3 TRP 3 2.016 -9.084 -4.139 19 HZ2 TRP 3 HZ2 TRP 3 2.027 -6.834 -8.576 20 HZ3 TRP 3 HZ3 TRP 3 1.377 -6.696 -4.325 21 HH2 TRP 3 HH2 TRP 3 1.318 -5.583 -6.542 22 H GLU 4 H GLU 4 3.522 -10.865 -2.177 23 HA GLU 4 HA GLU 4 3.088 -13.399 -0.994 24 1HB GLU 4 1HB GLU 4 4.732 -12.988 0.771 25 2HB GLU 4 2HB GLU 4 5.463 -13.522 -0.755 26 1HG GLU 4 1HG GLU 4 5.380 -10.598 0.089 27 2HG GLU 4 2HG GLU 4 6.634 -11.692 0.667 28 H ILE 5 H ILE 5 2.275 -13.042 1.194 29 HA ILE 5 HA ILE 5 0.774 -10.509 1.290 30 HB ILE 5 HB ILE 5 0.200 -13.021 2.857 31 1HG1 ILE 5 1HG1 ILE 5 -1.655 -13.198 0.881 32 2HG1 ILE 5 2HG1 ILE 5 -0.327 -12.540 -0.067 33 1HG2 ILE 5 1HG2 ILE 5 -0.950 -10.917 3.505 34 2HG2 ILE 5 2HG2 ILE 5 -1.591 -10.772 1.855 35 3HG2 ILE 5 3HG2 ILE 5 -2.083 -12.125 2.894 36 1HD1 ILE 5 1HD1 ILE 5 1.086 -14.504 0.658 37 2HD1 ILE 5 2HD1 ILE 5 -0.274 -15.073 1.647 38 3HD1 ILE 5 3HD1 ILE 5 -0.418 -15.010 -0.119 39 H ILE 6 H ILE 6 0.912 -9.229 3.156 40 HA ILE 6 HA ILE 6 2.831 -10.075 5.286 41 HB ILE 6 HB ILE 6 2.997 -7.747 5.858 42 1HG1 ILE 6 1HG1 ILE 6 1.453 -7.052 3.329 43 2HG1 ILE 6 2HG1 ILE 6 0.762 -6.987 4.963 44 1HG2 ILE 6 1HG2 ILE 6 4.565 -8.859 4.231 45 2HG2 ILE 6 2HG2 ILE 6 3.619 -8.163 2.898 46 3HG2 ILE 6 3HG2 ILE 6 4.484 -7.106 4.036 47 1HD1 ILE 6 1HD1 ILE 6 2.500 -5.350 5.620 48 2HD1 ILE 6 2HD1 ILE 6 3.100 -5.336 3.945 49 3HD1 ILE 6 3HD1 ILE 6 1.460 -4.776 4.300 50 H ASP 7 H ASP 7 2.208 -9.642 7.484 51 HA ASP 7 HA ASP 7 -0.546 -10.382 8.010 52 1HB ASP 7 1HB ASP 7 1.700 -9.510 9.881 53 2HB ASP 7 2HB ASP 7 0.151 -10.185 10.377 54 H ILE 8 H ILE 8 -2.204 -8.987 8.568 55 HA ILE 8 HA ILE 8 -1.900 -6.147 8.665 56 HB ILE 8 HB ILE 8 -4.167 -6.258 9.505 57 1HG1 ILE 8 1HG1 ILE 8 -3.941 -9.296 9.545 58 2HG1 ILE 8 2HG1 ILE 8 -4.078 -8.232 10.954 59 1HG2 ILE 8 1HG2 ILE 8 -3.643 -6.406 7.089 60 2HG2 ILE 8 2HG2 ILE 8 -3.786 -8.176 7.172 61 3HG2 ILE 8 3HG2 ILE 8 -5.193 -7.145 7.485 62 1HD1 ILE 8 1HD1 ILE 8 -6.288 -7.425 10.083 63 2HD1 ILE 8 2HD1 ILE 8 -6.190 -8.680 8.822 64 3HD1 ILE 8 3HD1 ILE 8 -6.236 -9.142 10.529 65 H GLY 9 H GLY 9 -1.665 -4.834 10.555 66 1HA GLY 9 1HA GLY 9 -1.506 -5.441 13.217 67 2HA GLY 9 2HA GLY 9 -0.013 -6.124 12.518 68 HA PRO 10 HA PRO 10 0.282 -1.595 13.671 69 1HB PRO 10 1HB PRO 10 2.954 -1.596 14.500 70 2HB PRO 10 2HB PRO 10 1.528 -1.910 15.524 71 1HG PRO 10 1HG PRO 10 3.317 -3.936 14.176 72 2HG PRO 10 2HG PRO 10 2.700 -3.950 15.853 73 1HD PRO 10 1HD PRO 10 1.529 -5.432 13.945 74 2HD PRO 10 2HD PRO 10 0.504 -4.559 15.120 75 H PHE 11 H PHE 11 2.979 -3.296 11.973 76 HA PHE 11 HA PHE 11 3.984 -1.160 10.505 77 1HB PHE 11 1HB PHE 11 5.042 -3.347 10.585 78 2HB PHE 11 2HB PHE 11 3.679 -4.098 9.767 79 HD1 PHE 11 HD1 PHE 11 3.360 -3.902 7.349 80 HD2 PHE 11 HD2 PHE 11 6.691 -1.998 9.326 81 HE1 PHE 11 HE1 PHE 11 4.510 -3.641 5.172 82 HE2 PHE 11 HE2 PHE 11 7.859 -1.803 7.150 83 HZ PHE 11 HZ PHE 11 6.759 -2.596 5.063 84 H THR 12 H THR 12 1.432 -3.472 9.488 85 HA THR 12 HA THR 12 0.973 -2.329 6.963 86 HB THR 12 HB THR 12 -0.815 -4.069 8.639 87 HG1 THR 12 HG1 THR 12 0.545 -5.730 7.949 88 1HG2 THR 12 1HG2 THR 12 -1.853 -3.389 6.518 89 2HG2 THR 12 2HG2 THR 12 -0.394 -3.863 5.620 90 3HG2 THR 12 3HG2 THR 12 -1.386 -5.095 6.426 91 H GLN 13 H GLN 13 -0.703 -1.966 10.117 92 HA GLN 13 HA GLN 13 -2.747 -0.185 9.251 93 1HB GLN 13 1HB GLN 13 -1.357 -0.678 11.913 94 2HB GLN 13 2HB GLN 13 -2.629 0.520 11.691 95 1HG GLN 13 1HG GLN 13 -4.181 -1.228 10.854 96 2HG GLN 13 2HG GLN 13 -2.928 -2.451 11.088 97 1HE2 GLN 13 1HE2 GLN 13 -4.976 -0.048 12.806 98 2HE2 GLN 13 2HE2 GLN 13 -4.905 -0.880 14.346 99 H ASN 14 H ASN 14 0.584 0.416 10.527 100 HA ASN 14 HA ASN 14 0.464 3.219 10.418 101 1HB ASN 14 1HB ASN 14 2.270 1.970 11.518 102 2HB ASN 14 2HB ASN 14 2.866 1.406 9.959 103 1HD2 ASN 14 1HD2 ASN 14 4.881 2.423 9.899 104 2HD2 ASN 14 2HD2 ASN 14 5.054 4.171 9.945 105 H LEU 15 H LEU 15 1.463 0.885 7.861 106 HA LEU 15 HA LEU 15 2.059 2.834 5.865 107 1HB LEU 15 1HB LEU 15 1.179 -0.057 5.808 108 2HB LEU 15 2HB LEU 15 1.115 0.868 4.311 109 HG LEU 15 HG LEU 15 3.644 0.557 5.971 110 1HD1 LEU 15 1HD1 LEU 15 2.837 -1.590 5.017 111 2HD1 LEU 15 2HD1 LEU 15 2.717 -0.835 3.412 112 3HD1 LEU 15 3HD1 LEU 15 4.303 -1.027 4.186 113 1HD2 LEU 15 1HD2 LEU 15 3.044 1.688 3.188 114 2HD2 LEU 15 2HD2 LEU 15 3.763 2.576 4.548 115 3HD2 LEU 15 3HD2 LEU 15 4.671 1.284 3.757 116 H GLY 16 H GLY 16 -1.017 1.145 6.571 117 1HA GLY 16 1HA GLY 16 -2.601 2.432 4.582 118 2HA GLY 16 2HA GLY 16 -3.205 1.807 6.123 119 H LYS 17 H LYS 17 -1.884 3.374 7.951 120 HA LYS 17 HA LYS 17 -3.554 5.608 8.056 121 1HB LYS 17 1HB LYS 17 -2.001 4.321 9.890 122 2HB LYS 17 2HB LYS 17 -0.931 5.670 9.575 123 1HG LYS 17 1HG LYS 17 -3.766 5.726 10.661 124 2HG LYS 17 2HG LYS 17 -2.271 6.259 11.447 125 1HD LYS 17 1HD LYS 17 -2.077 7.999 9.569 126 2HD LYS 17 2HD LYS 17 -3.711 7.517 9.075 127 1HE LYS 17 1HE LYS 17 -4.010 9.455 10.408 128 2HE LYS 17 2HE LYS 17 -4.540 8.085 11.396 129 1HZ LYS 17 1HZ LYS 17 -2.396 8.169 12.491 130 2HZ LYS 17 2HZ LYS 17 -1.938 9.447 11.557 131 3HZ LYS 17 3HZ LYS 17 -3.183 9.611 12.621 132 H PHE 18 H PHE 18 -0.089 5.341 7.372 133 HA PHE 18 HA PHE 18 0.527 7.982 6.638 134 1HB PHE 18 1HB PHE 18 2.428 6.672 6.750 135 2HB PHE 18 2HB PHE 18 1.654 5.278 6.023 136 HD1 PHE 18 HD1 PHE 18 2.951 8.691 5.119 137 HD2 PHE 18 HD2 PHE 18 1.921 4.729 3.747 138 HE1 PHE 18 HE1 PHE 18 3.154 9.441 2.767 139 HE2 PHE 18 HE2 PHE 18 2.026 5.522 1.409 140 HZ PHE 18 HZ PHE 18 2.434 7.899 0.931 141 H ALA 19 H ALA 19 -0.794 5.359 4.604 142 HA ALA 19 HA ALA 19 -0.827 6.853 2.197 143 1HB ALA 19 1HB ALA 19 -1.173 4.417 2.271 144 2HB ALA 19 2HB ALA 19 -2.766 4.648 3.018 145 3HB ALA 19 3HB ALA 19 -2.469 5.240 1.378 146 H VAL 20 H VAL 20 -3.365 6.450 4.665 147 HA VAL 20 HA VAL 20 -5.226 8.262 3.414 148 HB VAL 20 HB VAL 20 -4.970 7.355 6.298 149 1HG1 VAL 20 1HG1 VAL 20 -6.177 9.467 6.363 150 2HG1 VAL 20 2HG1 VAL 20 -7.116 9.033 4.920 151 3HG1 VAL 20 3HG1 VAL 20 -7.387 8.186 6.449 152 1HG2 VAL 20 1HG2 VAL 20 -6.872 6.608 4.011 153 2HG2 VAL 20 2HG2 VAL 20 -5.550 5.597 4.615 154 3HG2 VAL 20 3HG2 VAL 20 -6.939 5.953 5.654 155 H ASP 21 H ASP 21 -2.567 8.791 5.746 156 HA ASP 21 HA ASP 21 -3.178 11.484 6.356 157 1HB ASP 21 1HB ASP 21 -1.662 10.214 7.731 158 2HB ASP 21 2HB ASP 21 -0.540 9.968 6.391 159 H GLU 22 H GLU 22 -1.053 10.055 3.874 160 HA GLU 22 HA GLU 22 -0.195 12.464 2.632 161 1HB GLU 22 1HB GLU 22 0.779 10.138 2.226 162 2HB GLU 22 2HB GLU 22 -0.685 9.729 1.337 163 1HG GLU 22 1HG GLU 22 1.042 10.317 -0.229 164 2HG GLU 22 2HG GLU 22 -0.157 11.611 -0.270 165 H GLU 23 H GLU 23 -2.873 10.234 1.899 166 HA GLU 23 HA GLU 23 -3.964 11.523 -0.320 167 1HB GLU 23 1HB GLU 23 -4.488 9.208 0.642 168 2HB GLU 23 2HB GLU 23 -5.464 10.016 1.873 169 1HG GLU 23 1HG GLU 23 -6.901 9.186 0.195 170 2HG GLU 23 2HG GLU 23 -6.898 10.956 0.067 171 H ASN 24 H ASN 24 -4.729 11.977 3.148 172 HA ASN 24 HA ASN 24 -6.719 13.999 2.811 173 1HB ASN 24 1HB ASN 24 -4.986 13.005 5.120 174 2HB ASN 24 2HB ASN 24 -6.100 14.346 5.272 175 1HD2 ASN 24 1HD2 ASN 24 -6.808 12.663 7.027 176 2HD2 ASN 24 2HD2 ASN 24 -8.124 11.610 6.525 177 H LYS 25 H LYS 25 -3.179 14.050 3.444 178 HA LYS 25 HA LYS 25 -2.949 16.826 3.952 179 1HB LYS 25 1HB LYS 25 -1.209 15.166 4.452 180 2HB LYS 25 2HB LYS 25 -0.947 14.884 2.722 181 1HG LYS 25 1HG LYS 25 -0.202 17.245 2.463 182 2HG LYS 25 2HG LYS 25 -0.476 17.507 4.199 183 1HD LYS 25 1HD LYS 25 1.178 15.716 4.719 184 2HD LYS 25 2HD LYS 25 1.427 15.443 2.982 185 1HE LYS 25 1HE LYS 25 2.245 17.778 2.728 186 2HE LYS 25 2HE LYS 25 2.002 18.055 4.464 187 1HZ LYS 25 1HZ LYS 25 3.598 16.334 4.896 188 2HZ LYS 25 2HZ LYS 25 3.821 16.074 3.285 189 3HZ LYS 25 3HZ LYS 25 4.261 17.513 3.956 190 H ILE 26 H ILE 26 -2.647 14.969 0.889 191 HA ILE 26 HA ILE 26 -2.392 17.352 -0.754 192 HB ILE 26 HB ILE 26 -3.267 14.542 -1.528 193 1HG1 ILE 26 1HG1 ILE 26 -0.494 15.811 -1.769 194 2HG1 ILE 26 2HG1 ILE 26 -0.942 14.739 -0.447 195 1HG2 ILE 26 1HG2 ILE 26 -3.845 16.336 -3.210 196 2HG2 ILE 26 2HG2 ILE 26 -2.156 16.861 -3.198 197 3HG2 ILE 26 3HG2 ILE 26 -2.592 15.261 -3.820 198 1HD1 ILE 26 1HD1 ILE 26 -1.493 12.938 -2.075 199 2HD1 ILE 26 2HD1 ILE 26 -0.852 13.964 -3.380 200 3HD1 ILE 26 3HD1 ILE 26 0.211 13.435 -2.072 201 H GLY 27 H GLY 27 -5.100 15.242 0.275 202 1HA GLY 27 1HA GLY 27 -7.213 15.925 0.843 203 2HA GLY 27 2HA GLY 27 -6.962 17.499 0.079 204 H GLN 28 H GLN 28 -6.159 14.625 -1.755 205 HA GLN 28 HA GLN 28 -7.782 15.345 -3.950 206 1HB GLN 28 1HB GLN 28 -6.657 12.612 -3.205 207 2HB GLN 28 2HB GLN 28 -7.364 13.034 -4.777 208 1HG GLN 28 1HG GLN 28 -5.648 14.843 -5.023 209 2HG GLN 28 2HG GLN 28 -4.893 14.275 -3.516 210 1HE2 GLN 28 1HE2 GLN 28 -3.331 14.358 -5.790 211 2HE2 GLN 28 2HE2 GLN 28 -3.039 12.716 -6.333 212 H TYR 29 H TYR 29 -8.440 13.135 -1.264 213 HA TYR 29 HA TYR 29 -11.327 12.956 -2.099 214 1HB TYR 29 1HB TYR 29 -9.471 10.985 -0.750 215 2HB TYR 29 2HB TYR 29 -11.208 10.949 -0.489 216 HD1 TYR 29 HD1 TYR 29 -8.878 11.175 -3.468 217 HD2 TYR 29 HD2 TYR 29 -12.462 9.479 -1.766 218 HE1 TYR 29 HE1 TYR 29 -9.225 9.864 -5.518 219 HE2 TYR 29 HE2 TYR 29 -12.827 8.192 -3.859 220 HH TYR 29 HH TYR 29 -10.595 8.393 -6.635 221 H GLY 30 H GLY 30 -10.046 15.186 -0.727 222 1HA GLY 30 1HA GLY 30 -10.426 16.563 1.076 223 2HA GLY 30 2HA GLY 30 -11.948 15.682 1.295 224 H ARG 31 H ARG 31 -11.954 15.388 3.502 225 HA ARG 31 HA ARG 31 -9.602 14.180 4.889 226 1HB ARG 31 1HB ARG 31 -12.115 15.602 5.819 227 2HB ARG 31 2HB ARG 31 -11.347 14.397 6.844 228 1HG ARG 31 1HG ARG 31 -10.452 16.344 7.600 229 2HG ARG 31 2HG ARG 31 -9.161 15.623 6.647 230 1HD ARG 31 1HD ARG 31 -9.623 17.153 4.785 231 2HD ARG 31 2HD ARG 31 -11.020 17.836 5.622 232 HE ARG 31 HE ARG 31 -8.223 18.459 6.020 233 1HH1 ARG 31 1HH1 ARG 31 -11.338 18.357 7.684 234 2HH1 ARG 31 2HH1 ARG 31 -10.858 19.440 8.962 235 1HH2 ARG 31 1HH2 ARG 31 -7.570 19.854 7.698 236 2HH2 ARG 31 2HH2 ARG 31 -8.676 20.304 8.966 237 H LEU 32 H LEU 32 -9.562 11.997 4.481 238 HA LEU 32 HA LEU 32 -12.069 10.426 4.875 239 1HB LEU 32 1HB LEU 32 -9.256 9.645 4.084 240 2HB LEU 32 2HB LEU 32 -10.586 8.504 4.285 241 HG LEU 32 HG LEU 32 -10.679 10.815 2.284 242 1HD1 LEU 32 1HD1 LEU 32 -8.805 9.342 1.752 243 2HD1 LEU 32 2HD1 LEU 32 -9.857 7.920 1.933 244 3HD1 LEU 32 3HD1 LEU 32 -10.131 9.067 0.605 245 1HD2 LEU 32 1HD2 LEU 32 -12.314 8.243 2.581 246 2HD2 LEU 32 2HD2 LEU 32 -12.910 9.893 2.870 247 3HD2 LEU 32 3HD2 LEU 32 -12.450 9.396 1.240 248 H THR 33 H THR 33 -12.304 9.088 6.622 249 HA THR 33 HA THR 33 -10.550 9.644 8.977 250 HB THR 33 HB THR 33 -13.401 8.581 8.838 251 HG1 THR 33 HG1 THR 33 -13.076 10.802 8.204 252 1HG2 THR 33 1HG2 THR 33 -12.210 7.859 10.897 253 2HG2 THR 33 2HG2 THR 33 -11.696 9.536 11.186 254 3HG2 THR 33 3HG2 THR 33 -13.416 9.106 11.257 255 H PHE 34 H PHE 34 -8.911 8.143 8.631 256 HA PHE 34 HA PHE 34 -9.097 5.517 7.698 257 1HB PHE 34 1HB PHE 34 -7.001 6.522 8.011 258 2HB PHE 34 2HB PHE 34 -7.265 6.806 9.735 259 HD1 PHE 34 HD1 PHE 34 -6.724 5.082 11.360 260 HD2 PHE 34 HD2 PHE 34 -6.646 4.160 7.148 261 HE1 PHE 34 HE1 PHE 34 -5.067 3.288 11.778 262 HE2 PHE 34 HE2 PHE 34 -5.002 2.363 7.579 263 HZ PHE 34 HZ PHE 34 -4.048 2.073 9.854 264 H ASN 35 H ASN 35 -9.753 3.653 8.465 265 HA ASN 35 HA ASN 35 -10.676 3.387 11.315 266 1HB ASN 35 1HB ASN 35 -11.313 1.669 8.879 267 2HB ASN 35 2HB ASN 35 -11.785 1.314 10.532 268 1HD2 ASN 35 1HD2 ASN 35 -13.135 3.091 11.656 269 2HD2 ASN 35 2HD2 ASN 35 -14.302 3.910 10.639 270 H LYS 36 H LYS 36 -9.149 1.373 8.739 271 HA LYS 36 HA LYS 36 -6.822 0.727 10.198 272 1HB LYS 36 1HB LYS 36 -7.263 -1.591 10.861 273 2HB LYS 36 2HB LYS 36 -8.305 -0.484 11.720 274 1HG LYS 36 1HG LYS 36 -10.210 -1.042 10.242 275 2HG LYS 36 2HG LYS 36 -9.167 -2.074 9.258 276 1HD LYS 36 1HD LYS 36 -10.372 -3.527 10.690 277 2HD LYS 36 2HD LYS 36 -8.705 -3.497 11.277 278 1HE LYS 36 1HE LYS 36 -9.394 -1.876 13.072 279 2HE LYS 36 2HE LYS 36 -11.051 -1.909 12.442 280 1HZ LYS 36 1HZ LYS 36 -11.097 -4.254 12.944 281 2HZ LYS 36 2HZ LYS 36 -9.563 -4.187 13.545 282 3HZ LYS 36 3HZ LYS 36 -10.776 -3.360 14.290 283 H VAL 37 H VAL 37 -6.526 -1.987 9.085 284 HA VAL 37 HA VAL 37 -6.897 -1.599 6.184 285 HB VAL 37 HB VAL 37 -4.292 -2.467 7.533 286 1HG1 VAL 37 1HG1 VAL 37 -4.635 -3.499 5.325 287 2HG1 VAL 37 2HG1 VAL 37 -4.985 -1.900 4.624 288 3HG1 VAL 37 3HG1 VAL 37 -3.366 -2.267 5.242 289 1HG2 VAL 37 1HG2 VAL 37 -4.930 0.146 6.105 290 2HG2 VAL 37 2HG2 VAL 37 -4.568 -0.029 7.837 291 3HG2 VAL 37 3HG2 VAL 37 -3.322 -0.384 6.639 292 H ILE 38 H ILE 38 -7.286 -3.589 5.127 293 HA ILE 38 HA ILE 38 -7.037 -6.042 6.719 294 HB ILE 38 HB ILE 38 -9.292 -6.822 6.286 295 1HG1 ILE 38 1HG1 ILE 38 -11.096 -5.139 5.805 296 2HG1 ILE 38 2HG1 ILE 38 -9.861 -4.024 5.211 297 1HG2 ILE 38 1HG2 ILE 38 -8.698 -5.731 8.425 298 2HG2 ILE 38 2HG2 ILE 38 -9.356 -4.200 7.797 299 3HG2 ILE 38 3HG2 ILE 38 -10.410 -5.605 8.010 300 1HD1 ILE 38 1HD1 ILE 38 -10.201 -6.859 4.114 301 2HD1 ILE 38 2HD1 ILE 38 -11.146 -5.499 3.506 302 3HD1 ILE 38 3HD1 ILE 38 -9.385 -5.468 3.349 303 H ARG 39 H ARG 39 -7.802 -7.938 5.293 304 HA ARG 39 HA ARG 39 -5.732 -8.158 3.473 305 1HB ARG 39 1HB ARG 39 -6.624 -10.435 3.075 306 2HB ARG 39 2HB ARG 39 -6.631 -10.000 4.786 307 1HG ARG 39 1HG ARG 39 -9.093 -9.444 4.573 308 2HG ARG 39 2HG ARG 39 -9.033 -9.982 2.892 309 1HD ARG 39 1HD ARG 39 -8.303 -12.225 3.611 310 2HD ARG 39 2HD ARG 39 -8.365 -11.740 5.304 311 HE ARG 39 HE ARG 39 -10.563 -12.443 3.534 312 1HH1 ARG 39 1HH1 ARG 39 -9.757 -10.589 6.431 313 2HH1 ARG 39 2HH1 ARG 39 -11.381 -10.598 7.063 314 1HH2 ARG 39 1HH2 ARG 39 -12.686 -12.453 4.336 315 2HH2 ARG 39 2HH2 ARG 39 -13.076 -11.677 5.845 316 HA PRO 40 HA PRO 40 -5.126 -9.506 1.675 317 1HB PRO 40 1HB PRO 40 -4.013 -9.202 -0.749 318 2HB PRO 40 2HB PRO 40 -5.444 -10.249 -0.514 319 1HG PRO 40 1HG PRO 40 -5.385 -7.392 -1.512 320 2HG PRO 40 2HG PRO 40 -6.249 -8.785 -2.230 321 1HD PRO 40 1HD PRO 40 -7.391 -6.954 -0.521 322 2HD PRO 40 2HD PRO 40 -7.964 -8.647 -0.598 323 H CYS 41 H CYS 41 -2.915 -8.837 1.868 324 HA CYS 41 HA CYS 41 -2.282 -5.956 1.533 325 1HB CYS 41 1HB CYS 41 -1.677 -7.672 4.006 326 2HB CYS 41 2HB CYS 41 -1.118 -6.022 3.671 327 HG CYS 41 HG CYS 41 -3.849 -5.389 3.164 328 H MET 42 H MET 42 -1.177 -6.511 -0.369 329 HA MET 42 HA MET 42 0.717 -8.813 -0.217 330 1HB MET 42 1HB MET 42 -1.529 -8.425 -1.910 331 2HB MET 42 2HB MET 42 -0.125 -8.069 -2.917 332 1HG MET 42 1HG MET 42 0.878 -10.255 -2.210 333 2HG MET 42 2HG MET 42 -0.592 -10.571 -1.262 334 1HE MET 42 1HE MET 42 0.539 -12.680 -3.224 335 2HE MET 42 2HE MET 42 -1.018 -12.906 -2.386 336 3HE MET 42 3HE MET 42 -0.907 -13.168 -4.140 337 H LYS 43 H LYS 43 2.808 -8.508 -0.974 338 HA LYS 43 HA LYS 43 3.415 -5.793 -2.049 339 1HB LYS 43 1HB LYS 43 5.312 -5.554 -0.742 340 2HB LYS 43 2HB LYS 43 4.105 -6.191 0.389 341 1HG LYS 43 1HG LYS 43 5.091 -8.434 0.165 342 2HG LYS 43 2HG LYS 43 6.285 -7.825 -1.003 343 1HD LYS 43 1HD LYS 43 7.111 -6.200 0.707 344 2HD LYS 43 2HD LYS 43 6.032 -6.950 1.902 345 1HE LYS 43 1HE LYS 43 7.198 -9.107 1.633 346 2HE LYS 43 2HE LYS 43 8.213 -8.426 0.345 347 1HZ LYS 43 1HZ LYS 43 9.112 -6.896 1.935 348 2HZ LYS 43 2HZ LYS 43 8.180 -7.527 3.138 349 3HZ LYS 43 3HZ LYS 43 9.347 -8.450 2.428 350 H LYS 44 H LYS 44 5.367 -5.642 -3.286 351 HA LYS 44 HA LYS 44 6.295 -8.138 -4.565 352 1HB LYS 44 1HB LYS 44 4.522 -7.226 -6.007 353 2HB LYS 44 2HB LYS 44 5.300 -5.636 -6.008 354 1HG LYS 44 1HG LYS 44 7.276 -6.650 -7.181 355 2HG LYS 44 2HG LYS 44 6.424 -8.206 -7.212 356 1HD LYS 44 1HD LYS 44 4.641 -7.193 -8.579 357 2HD LYS 44 2HD LYS 44 5.427 -5.605 -8.465 358 1HE LYS 44 1HE LYS 44 7.445 -6.545 -9.610 359 2HE LYS 44 2HE LYS 44 6.618 -8.110 -9.752 360 1HZ LYS 44 1HZ LYS 44 6.443 -6.821 -11.743 361 2HZ LYS 44 2HZ LYS 44 4.950 -7.035 -11.078 362 3HZ LYS 44 3HZ LYS 44 5.714 -5.582 -10.939 363 H THR 45 H THR 45 8.505 -7.944 -5.242 364 HA THR 45 HA THR 45 10.069 -5.689 -4.194 365 HB THR 45 HB THR 45 10.964 -8.130 -5.787 366 HG1 THR 45 HG1 THR 45 10.511 -7.744 -3.022 367 1HG2 THR 45 1HG2 THR 45 12.683 -6.370 -5.638 368 2HG2 THR 45 2HG2 THR 45 12.452 -6.261 -3.881 369 3HG2 THR 45 3HG2 THR 45 13.109 -7.744 -4.605 370 H ILE 46 H ILE 46 10.863 -3.997 -5.448 371 HA ILE 46 HA ILE 46 10.301 -4.033 -8.376 372 HB ILE 46 HB ILE 46 9.795 -2.086 -6.279 373 1HG1 ILE 46 1HG1 ILE 46 8.064 -1.335 -7.816 374 2HG1 ILE 46 2HG1 ILE 46 8.705 -2.361 -9.104 375 1HG2 ILE 46 1HG2 ILE 46 11.606 -0.828 -7.297 376 2HG2 ILE 46 2HG2 ILE 46 10.955 -1.160 -8.924 377 3HG2 ILE 46 3HG2 ILE 46 10.069 -0.123 -7.786 378 1HD1 ILE 46 1HD1 ILE 46 8.028 -4.366 -7.918 379 2HD1 ILE 46 2HD1 ILE 46 7.644 -3.432 -6.450 380 3HD1 ILE 46 3HD1 ILE 46 6.664 -3.246 -7.921 381 H TYR 47 H TYR 47 12.058 -4.156 -9.661 382 HA TYR 47 HA TYR 47 14.637 -3.092 -8.712 383 1HB TYR 47 1HB TYR 47 15.786 -5.125 -8.884 384 2HB TYR 47 2HB TYR 47 14.395 -5.421 -7.855 385 HD1 TYR 47 HD1 TYR 47 16.340 -6.583 -10.568 386 HD2 TYR 47 HD2 TYR 47 12.359 -6.629 -8.910 387 HE1 TYR 47 HE1 TYR 47 15.925 -8.746 -11.653 388 HE2 TYR 47 HE2 TYR 47 11.954 -8.824 -9.971 389 HH TYR 47 HH TYR 47 14.407 -10.451 -12.007 390 H GLU 48 H GLU 48 16.331 -3.275 -10.371 391 HA GLU 48 HA GLU 48 15.123 -2.497 -12.978 392 1HB GLU 48 1HB GLU 48 16.824 -1.086 -11.319 393 2HB GLU 48 2HB GLU 48 17.990 -1.881 -12.362 394 1HG GLU 48 1HG GLU 48 17.418 0.300 -13.268 395 2HG GLU 48 2HG GLU 48 16.724 -0.899 -14.359 396 H ASN 49 H ASN 49 17.443 -2.753 -14.440 397 HA ASN 49 HA ASN 49 18.450 -5.453 -14.333 398 1HB ASN 49 1HB ASN 49 16.212 -5.980 -15.187 399 2HB ASN 49 2HB ASN 49 16.455 -4.882 -16.553 400 1HD2 ASN 49 1HD2 ASN 49 17.587 -5.691 -18.381 401 2HD2 ASN 49 2HD2 ASN 49 18.362 -7.264 -18.381 402 H GLU 50 H GLU 50 17.769 -2.788 -16.603 403 HA GLU 50 HA GLU 50 19.888 -3.168 -18.372 404 1HB GLU 50 1HB GLU 50 17.960 -1.637 -18.697 405 2HB GLU 50 2HB GLU 50 18.633 -0.539 -17.475 406 1HG GLU 50 1HG GLU 50 20.650 -0.210 -18.899 407 2HG GLU 50 2HG GLU 50 19.977 -1.323 -20.103 408 H GLY 51 H GLY 51 21.929 -3.556 -17.607 409 1HA GLY 51 1HA GLY 51 24.073 -2.893 -17.051 410 2HA GLY 51 2HA GLY 51 23.475 -1.269 -16.712 411 H PHE 52 H PHE 52 23.615 -4.548 -15.436 412 HA PHE 52 HA PHE 52 24.153 -5.384 -13.404 413 1HB PHE 52 1HB PHE 52 25.732 -3.402 -13.301 414 2HB PHE 52 2HB PHE 52 24.531 -2.578 -12.317 415 HD1 PHE 52 HD1 PHE 52 26.918 -5.415 -12.458 416 HD2 PHE 52 HD2 PHE 52 24.114 -3.238 -9.999 417 HE1 PHE 52 HE1 PHE 52 27.888 -6.451 -10.425 418 HE2 PHE 52 HE2 PHE 52 25.100 -4.265 -7.975 419 HZ PHE 52 HZ PHE 52 26.992 -5.867 -8.180 420 H ARG 53 H ARG 53 22.026 -6.189 -13.311 421 HA ARG 53 HA ARG 53 19.798 -4.742 -12.401 422 1HB ARG 53 1HB ARG 53 18.650 -6.790 -12.345 423 2HB ARG 53 2HB ARG 53 19.861 -6.952 -13.613 424 1HG ARG 53 1HG ARG 53 20.100 -8.963 -12.687 425 2HG ARG 53 2HG ARG 53 21.303 -8.120 -11.702 426 1HD ARG 53 1HD ARG 53 19.696 -7.988 -9.836 427 2HD ARG 53 2HD ARG 53 18.377 -8.506 -10.914 428 HE ARG 53 HE ARG 53 20.546 -10.421 -10.756 429 1HH1 ARG 53 1HH1 ARG 53 17.620 -9.308 -9.110 430 2HH1 ARG 53 2HH1 ARG 53 17.224 -10.872 -8.453 431 1HH2 ARG 53 1HH2 ARG 53 20.043 -12.465 -9.902 432 2HH2 ARG 53 2HH2 ARG 53 18.642 -12.695 -8.892 433 H GLU 54 H GLU 54 18.932 -4.282 -10.361 434 HA GLU 54 HA GLU 54 19.944 -5.494 -7.998 435 1HB GLU 54 1HB GLU 54 21.747 -3.813 -8.574 436 2HB GLU 54 2HB GLU 54 20.543 -2.524 -8.441 437 1HG GLU 54 1HG GLU 54 20.205 -3.087 -6.046 438 2HG GLU 54 2HG GLU 54 21.330 -4.452 -6.199 439 H ILE 55 H ILE 55 18.689 -4.839 -6.173 440 HA ILE 55 HA ILE 55 15.912 -4.225 -6.807 441 HB ILE 55 HB ILE 55 17.324 -4.719 -4.165 442 1HG1 ILE 55 1HG1 ILE 55 15.519 -6.537 -5.841 443 2HG1 ILE 55 2HG1 ILE 55 17.281 -6.659 -5.772 444 1HG2 ILE 55 1HG2 ILE 55 15.277 -3.357 -3.848 445 2HG2 ILE 55 2HG2 ILE 55 14.346 -4.509 -4.825 446 3HG2 ILE 55 3HG2 ILE 55 15.019 -4.986 -3.254 447 1HD1 ILE 55 1HD1 ILE 55 17.146 -7.061 -3.308 448 2HD1 ILE 55 2HD1 ILE 55 15.374 -7.156 -3.462 449 3HD1 ILE 55 3HD1 ILE 55 16.398 -8.317 -4.314 450 H LYS 56 H LYS 56 15.027 -2.251 -6.826 451 HA LYS 56 HA LYS 56 16.627 -0.013 -5.646 452 1HB LYS 56 1HB LYS 56 16.043 1.411 -7.359 453 2HB LYS 56 2HB LYS 56 16.600 -0.081 -8.091 454 1HG LYS 56 1HG LYS 56 14.857 0.397 -9.432 455 2HG LYS 56 2HG LYS 56 14.031 -0.677 -8.305 456 1HD LYS 56 1HD LYS 56 12.959 1.187 -7.194 457 2HD LYS 56 2HD LYS 56 14.071 2.362 -7.889 458 1HE LYS 56 1HE LYS 56 12.102 0.750 -9.565 459 2HE LYS 56 2HE LYS 56 11.785 2.367 -8.913 460 1HZ LYS 56 1HZ LYS 56 13.695 3.149 -10.134 461 2HZ LYS 56 2HZ LYS 56 13.927 1.658 -10.800 462 3HZ LYS 56 3HZ LYS 56 12.554 2.500 -11.128 463 H GLY 57 H GLY 57 13.520 -1.708 -5.605 464 1HA GLY 57 1HA GLY 57 12.871 -0.270 -3.209 465 2HA GLY 57 2HA GLY 57 11.881 0.267 -4.593 466 H TYR 58 H TYR 58 10.232 -0.576 -3.015 467 HA TYR 58 HA TYR 58 9.431 -3.291 -3.837 468 1HB TYR 58 1HB TYR 58 9.049 -2.370 -0.994 469 2HB TYR 58 2HB TYR 58 8.897 -3.983 -1.654 470 HD1 TYR 58 HD1 TYR 58 10.894 -5.433 -1.908 471 HD2 TYR 58 HD2 TYR 58 11.265 -1.381 -0.505 472 HE1 TYR 58 HE1 TYR 58 13.287 -5.825 -1.410 473 HE2 TYR 58 HE2 TYR 58 13.661 -1.759 -0.026 474 HH TYR 58 HH TYR 58 15.275 -4.883 -0.685 475 H GLU 59 H GLU 59 7.090 -3.498 -3.541 476 HA GLU 59 HA GLU 59 5.593 -0.927 -3.382 477 1HB GLU 59 1HB GLU 59 6.074 -1.497 -5.758 478 2HB GLU 59 2HB GLU 59 5.223 -3.043 -5.541 479 1HG GLU 59 1HG GLU 59 3.136 -1.848 -5.045 480 2HG GLU 59 2HG GLU 59 3.985 -0.289 -5.071 481 H TYR 60 H TYR 60 3.466 -1.159 -2.536 482 HA TYR 60 HA TYR 60 2.748 -3.801 -1.350 483 1HB TYR 60 1HB TYR 60 2.895 -1.113 0.041 484 2HB TYR 60 2HB TYR 60 2.185 -2.566 0.714 485 HD1 TYR 60 HD1 TYR 60 3.506 -4.184 1.850 486 HD2 TYR 60 HD2 TYR 60 5.411 -1.013 -0.365 487 HE1 TYR 60 HE1 TYR 60 5.672 -4.718 2.938 488 HE2 TYR 60 HE2 TYR 60 7.572 -1.566 0.702 489 HH TYR 60 HH TYR 60 8.698 -3.016 2.111 490 H GLN 61 H GLN 61 0.690 -4.193 -1.974 491 HA GLN 61 HA GLN 61 -1.214 -1.934 -2.407 492 1HB GLN 61 1HB GLN 61 -0.991 -4.673 -3.707 493 2HB GLN 61 2HB GLN 61 -2.506 -3.759 -3.651 494 1HG GLN 61 1HG GLN 61 -1.419 -1.821 -4.711 495 2HG GLN 61 2HG GLN 61 0.110 -2.724 -4.817 496 1HE2 GLN 61 1HE2 GLN 61 -0.369 -1.922 -7.183 497 2HE2 GLN 61 2HE2 GLN 61 -1.271 -3.065 -8.162 498 H LEU 62 H LEU 62 -2.752 -1.771 -0.871 499 HA LEU 62 HA LEU 62 -3.643 -4.197 0.529 500 1HB LEU 62 1HB LEU 62 -3.302 -3.077 2.774 501 2HB LEU 62 2HB LEU 62 -1.887 -3.702 1.941 502 HG LEU 62 HG LEU 62 -1.420 -1.292 1.139 503 1HD1 LEU 62 1HD1 LEU 62 -3.593 -0.247 1.814 504 2HD1 LEU 62 2HD1 LEU 62 -3.256 -0.661 3.499 505 3HD1 LEU 62 3HD1 LEU 62 -2.215 0.482 2.638 506 1HD2 LEU 62 1HD2 LEU 62 -1.202 -2.019 4.081 507 2HD2 LEU 62 2HD2 LEU 62 -0.081 -2.517 2.795 508 3HD2 LEU 62 3HD2 LEU 62 -0.234 -0.806 3.221 509 H TYR 63 H TYR 63 -5.694 -4.050 1.490 510 HA TYR 63 HA TYR 63 -7.295 -1.813 0.461 511 1HB TYR 63 1HB TYR 63 -7.837 -4.574 1.505 512 2HB TYR 63 2HB TYR 63 -9.044 -3.345 1.778 513 HD1 TYR 63 HD1 TYR 63 -9.247 -5.944 0.100 514 HD2 TYR 63 HD2 TYR 63 -9.070 -1.755 -0.739 515 HE1 TYR 63 HE1 TYR 63 -10.140 -6.365 -2.177 516 HE2 TYR 63 HE2 TYR 63 -9.994 -2.140 -2.977 517 HH TYR 63 HH TYR 63 -10.644 -3.724 -4.533 518 H VAL 64 H VAL 64 -7.039 -0.054 1.620 519 HA VAL 64 HA VAL 64 -6.883 -0.160 4.569 520 HB VAL 64 HB VAL 64 -5.265 1.250 3.609 521 1HG1 VAL 64 1HG1 VAL 64 -6.216 1.820 1.427 522 2HG1 VAL 64 2HG1 VAL 64 -7.483 2.794 2.216 523 3HG1 VAL 64 3HG1 VAL 64 -5.777 3.269 2.332 524 1HG2 VAL 64 1HG2 VAL 64 -7.455 3.041 4.735 525 2HG2 VAL 64 2HG2 VAL 64 -6.444 1.960 5.711 526 3HG2 VAL 64 3HG2 VAL 64 -5.697 3.282 4.805 527 H TYR 65 H TYR 65 -8.562 0.430 5.842 528 HA TYR 65 HA TYR 65 -11.185 0.849 4.516 529 1HB TYR 65 1HB TYR 65 -10.730 -1.213 5.959 530 2HB TYR 65 2HB TYR 65 -10.628 -0.129 7.338 531 HD1 TYR 65 HD1 TYR 65 -12.924 -0.568 4.353 532 HD2 TYR 65 HD2 TYR 65 -12.604 -0.374 8.648 533 HE1 TYR 65 HE1 TYR 65 -15.299 -1.191 4.555 534 HE2 TYR 65 HE2 TYR 65 -15.001 -0.946 8.838 535 HH TYR 65 HH TYR 65 -17.034 -1.163 7.587 536 H ALA 66 H ALA 66 -12.033 2.846 4.709 537 HA ALA 66 HA ALA 66 -11.313 4.583 6.983 538 1HB ALA 66 1HB ALA 66 -9.602 5.060 5.241 539 2HB ALA 66 2HB ALA 66 -10.900 5.374 4.065 540 3HB ALA 66 3HB ALA 66 -10.708 6.428 5.485 541 H SER 67 H SER 67 -13.008 5.788 7.572 542 HA SER 67 HA SER 67 -15.169 6.432 7.783 543 1HB SER 67 1HB SER 67 -14.253 7.782 5.678 544 2HB SER 67 2HB SER 67 -15.448 6.813 4.799 545 HG SER 67 HG SER 67 -16.427 8.697 5.550 546 H ASP 68 H ASP 68 -14.713 3.665 7.584 547 HA ASP 68 HA ASP 68 -15.688 1.684 7.333 548 1HB ASP 68 1HB ASP 68 -17.482 2.933 8.608 549 2HB ASP 68 2HB ASP 68 -18.330 3.172 7.072 550 H LYS 69 H LYS 69 -14.733 3.066 4.869 551 HA LYS 69 HA LYS 69 -16.157 1.366 2.883 552 1HB LYS 69 1HB LYS 69 -15.109 4.209 2.556 553 2HB LYS 69 2HB LYS 69 -15.617 3.168 1.224 554 1HG LYS 69 1HG LYS 69 -17.443 4.081 3.494 555 2HG LYS 69 2HG LYS 69 -17.296 4.872 1.922 556 1HD LYS 69 1HD LYS 69 -17.969 2.700 0.816 557 2HD LYS 69 2HD LYS 69 -18.286 2.032 2.435 558 1HE LYS 69 1HE LYS 69 -19.941 3.807 2.867 559 2HE LYS 69 2HE LYS 69 -19.617 4.524 1.276 560 1HZ LYS 69 1HZ LYS 69 -20.386 2.504 0.272 561 2HZ LYS 69 2HZ LYS 69 -20.694 1.836 1.748 562 3HZ LYS 69 3HZ LYS 69 -21.550 3.150 1.243 563 H LEU 70 H LEU 70 -14.769 0.514 1.277 564 HA LEU 70 HA LEU 70 -12.033 0.126 2.336 565 1HB LEU 70 1HB LEU 70 -13.857 -1.734 1.969 566 2HB LEU 70 2HB LEU 70 -13.458 -1.550 0.261 567 HG LEU 70 HG LEU 70 -11.022 -2.010 0.906 568 1HD1 LEU 70 1HD1 LEU 70 -12.388 -2.776 3.536 569 2HD1 LEU 70 2HD1 LEU 70 -10.764 -3.283 3.080 570 3HD1 LEU 70 3HD1 LEU 70 -11.082 -1.579 3.324 571 1HD2 LEU 70 1HD2 LEU 70 -13.152 -4.126 1.442 572 2HD2 LEU 70 2HD2 LEU 70 -12.466 -3.704 -0.143 573 3HD2 LEU 70 3HD2 LEU 70 -11.449 -4.469 1.091 574 H PHE 71 H PHE 71 -10.297 0.878 1.256 575 HA PHE 71 HA PHE 71 -10.547 1.614 -1.628 576 1HB PHE 71 1HB PHE 71 -9.141 3.109 0.620 577 2HB PHE 71 2HB PHE 71 -9.002 3.496 -1.084 578 HD1 PHE 71 HD1 PHE 71 -11.326 3.468 1.838 579 HD2 PHE 71 HD2 PHE 71 -10.637 4.840 -2.194 580 HE1 PHE 71 HE1 PHE 71 -13.038 5.227 2.141 581 HE2 PHE 71 HE2 PHE 71 -12.363 6.582 -1.895 582 HZ PHE 71 HZ PHE 71 -13.576 6.784 0.271 583 H ARG 72 H ARG 72 -8.754 1.032 -2.847 584 HA ARG 72 HA ARG 72 -6.707 -0.699 -1.543 585 1HB ARG 72 1HB ARG 72 -7.532 -1.692 -3.498 586 2HB ARG 72 2HB ARG 72 -7.420 -0.198 -4.439 587 1HG ARG 72 1HG ARG 72 -5.064 -0.270 -4.557 588 2HG ARG 72 2HG ARG 72 -4.918 -1.410 -3.204 589 1HD ARG 72 1HD ARG 72 -6.212 -2.111 -5.867 590 2HD ARG 72 2HD ARG 72 -4.497 -2.397 -5.482 591 HE ARG 72 HE ARG 72 -5.916 -3.505 -3.367 592 1HH1 ARG 72 1HH1 ARG 72 -5.493 -4.062 -6.819 593 2HH1 ARG 72 2HH1 ARG 72 -5.905 -5.755 -6.758 594 1HH2 ARG 72 1HH2 ARG 72 -6.495 -5.713 -3.253 595 2HH2 ARG 72 2HH2 ARG 72 -6.463 -6.715 -4.677 596 H ALA 73 H ALA 73 -4.974 0.350 -0.752 597 HA ALA 73 HA ALA 73 -4.035 2.869 -2.081 598 1HB ALA 73 1HB ALA 73 -4.397 3.144 0.315 599 2HB ALA 73 2HB ALA 73 -3.354 1.745 0.652 600 3HB ALA 73 3HB ALA 73 -2.671 3.206 -0.089 601 H ASP 74 H ASP 74 -2.162 2.753 -3.199 602 HA ASP 74 HA ASP 74 -0.483 0.275 -3.007 603 1HB ASP 74 1HB ASP 74 -1.622 0.491 -5.149 604 2HB ASP 74 2HB ASP 74 -0.906 2.097 -5.384 605 H ILE 75 H ILE 75 1.299 0.722 -1.991 606 HA ILE 75 HA ILE 75 2.429 3.492 -1.936 607 HB ILE 75 HB ILE 75 2.640 1.341 0.222 608 1HG1 ILE 75 1HG1 ILE 75 1.380 3.222 1.557 609 2HG1 ILE 75 2HG1 ILE 75 0.801 3.742 -0.029 610 1HG2 ILE 75 1HG2 ILE 75 4.616 2.735 0.219 611 2HG2 ILE 75 2HG2 ILE 75 3.635 4.213 0.098 612 3HG2 ILE 75 3HG2 ILE 75 3.615 3.234 1.569 613 1HD1 ILE 75 1HD1 ILE 75 -0.290 1.516 -0.305 614 2HD1 ILE 75 2HD1 ILE 75 0.504 0.940 1.174 615 3HD1 ILE 75 3HD1 ILE 75 -0.726 2.213 1.255 616 H SER 76 H SER 76 4.806 3.580 -2.113 617 HA SER 76 HA SER 76 6.148 0.971 -2.491 618 1HB SER 76 1HB SER 76 5.715 1.784 -4.784 619 2HB SER 76 2HB SER 76 6.483 3.344 -4.362 620 HG SER 76 HG SER 76 7.791 0.828 -4.270 621 H GLU 77 H GLU 77 8.398 1.064 -2.155 622 HA GLU 77 HA GLU 77 9.419 3.362 -0.581 623 1HB GLU 77 1HB GLU 77 8.658 1.498 0.915 624 2HB GLU 77 2HB GLU 77 9.786 0.410 0.120 625 1HG GLU 77 1HG GLU 77 10.915 2.985 1.234 626 2HG GLU 77 2HG GLU 77 10.330 1.795 2.395 627 H ASP 78 H ASP 78 11.394 4.003 -1.346 628 HA ASP 78 HA ASP 78 12.689 2.338 -3.457 629 1HB ASP 78 1HB ASP 78 12.838 5.283 -2.735 630 2HB ASP 78 2HB ASP 78 14.012 4.477 -3.778 631 H TYR 79 H TYR 79 14.333 1.121 -2.798 632 HA TYR 79 HA TYR 79 15.003 0.735 -0.132 633 1HB TYR 79 1HB TYR 79 15.302 -0.928 -1.898 634 2HB TYR 79 2HB TYR 79 16.542 0.058 -2.665 635 HD1 TYR 79 HD1 TYR 79 15.868 -1.293 0.814 636 HD2 TYR 79 HD2 TYR 79 18.706 -0.800 -2.401 637 HE1 TYR 79 HE1 TYR 79 17.578 -2.502 2.130 638 HE2 TYR 79 HE2 TYR 79 20.410 -1.995 -1.076 639 HH TYR 79 HH TYR 79 20.881 -3.086 0.901 640 H LYS 80 H LYS 80 16.821 2.548 -2.569 641 HA LYS 80 HA LYS 80 19.084 3.130 -0.910 642 1HB LYS 80 1HB LYS 80 19.175 3.104 -3.331 643 2HB LYS 80 2HB LYS 80 18.055 4.463 -3.457 644 1HG LYS 80 1HG LYS 80 20.570 4.855 -1.830 645 2HG LYS 80 2HG LYS 80 20.740 4.706 -3.583 646 1HD LYS 80 1HD LYS 80 19.204 6.558 -3.979 647 2HD LYS 80 2HD LYS 80 18.897 6.741 -2.242 648 1HE LYS 80 1HE LYS 80 21.260 7.287 -1.841 649 2HE LYS 80 2HE LYS 80 21.630 7.054 -3.562 650 1HZ LYS 80 1HZ LYS 80 20.152 8.855 -4.063 651 2HZ LYS 80 2HZ LYS 80 19.792 9.067 -2.469 652 3HZ LYS 80 3HZ LYS 80 21.321 9.348 -3.014 653 H THR 81 H THR 81 15.901 4.601 -1.209 654 HA THR 81 HA THR 81 16.767 7.126 0.096 655 HB THR 81 HB THR 81 14.004 6.192 -0.781 656 HG1 THR 81 HG1 THR 81 15.683 6.436 -2.455 657 1HG2 THR 81 1HG2 THR 81 13.941 8.050 0.855 658 2HG2 THR 81 2HG2 THR 81 15.098 8.964 -0.137 659 3HG2 THR 81 3HG2 THR 81 13.477 8.603 -0.763 660 H ARG 82 H ARG 82 15.161 4.034 0.659 661 HA ARG 82 HA ARG 82 14.012 3.142 2.346 662 1HB ARG 82 1HB ARG 82 16.386 3.312 3.359 663 2HB ARG 82 2HB ARG 82 15.745 4.667 4.306 664 1HG ARG 82 1HG ARG 82 13.786 2.902 4.843 665 2HG ARG 82 2HG ARG 82 15.005 1.726 4.350 666 1HD ARG 82 1HD ARG 82 15.267 3.857 6.528 667 2HD ARG 82 2HD ARG 82 14.965 2.154 6.836 668 HE ARG 82 HE ARG 82 17.490 3.453 6.189 669 1HH1 ARG 82 1HH1 ARG 82 15.780 0.376 5.989 670 2HH1 ARG 82 2HH1 ARG 82 17.217 -0.604 6.094 671 1HH2 ARG 82 1HH2 ARG 82 19.383 2.201 6.315 672 2HH2 ARG 82 2HH2 ARG 82 19.312 0.461 6.264 673 H GLY 83 H GLY 83 12.739 5.199 1.199 674 1HA GLY 83 1HA GLY 83 11.077 6.328 3.353 675 2HA GLY 83 2HA GLY 83 11.791 7.453 2.169 676 H ARG 84 H ARG 84 8.919 6.742 2.505 677 HA ARG 84 HA ARG 84 8.412 5.088 0.108 678 1HB ARG 84 1HB ARG 84 6.540 5.663 2.393 679 2HB ARG 84 2HB ARG 84 6.351 4.445 1.137 680 1HG ARG 84 1HG ARG 84 8.637 3.513 2.059 681 2HG ARG 84 2HG ARG 84 8.205 4.396 3.532 682 1HD ARG 84 1HD ARG 84 6.014 3.186 3.561 683 2HD ARG 84 2HD ARG 84 6.478 2.323 2.098 684 HE ARG 84 HE ARG 84 8.058 1.047 3.207 685 1HH1 ARG 84 1HH1 ARG 84 6.484 3.257 5.494 686 2HH1 ARG 84 2HH1 ARG 84 7.010 2.376 6.898 687 1HH2 ARG 84 1HH2 ARG 84 8.811 -0.037 5.036 688 2HH2 ARG 84 2HH2 ARG 84 8.383 0.506 6.636 689 H LYS 85 H LYS 85 6.349 5.433 -0.879 690 HA LYS 85 HA LYS 85 5.117 8.039 -0.709 691 1HB LYS 85 1HB LYS 85 5.459 8.680 -3.050 692 2HB LYS 85 2HB LYS 85 6.959 8.614 -2.136 693 1HG LYS 85 1HG LYS 85 7.692 7.619 -4.053 694 2HG LYS 85 2HG LYS 85 7.240 6.211 -3.113 695 1HD LYS 85 1HD LYS 85 6.380 5.706 -5.180 696 2HD LYS 85 2HD LYS 85 4.941 6.366 -4.413 697 1HE LYS 85 1HE LYS 85 6.804 7.904 -6.286 698 2HE LYS 85 2HE LYS 85 5.303 7.100 -6.764 699 1HZ LYS 85 1HZ LYS 85 4.121 8.515 -5.232 700 2HZ LYS 85 2HZ LYS 85 5.516 9.338 -4.900 701 3HZ LYS 85 3HZ LYS 85 4.891 9.366 -6.419 702 H LEU 86 H LEU 86 3.074 8.161 -1.537 703 HA LEU 86 HA LEU 86 1.660 5.687 -2.076 704 1HB LEU 86 1HB LEU 86 0.722 7.686 -0.865 705 2HB LEU 86 2HB LEU 86 0.874 8.611 -2.361 706 HG LEU 86 HG LEU 86 -0.742 6.938 -3.433 707 1HD1 LEU 86 1HD1 LEU 86 -0.536 5.078 -1.798 708 2HD1 LEU 86 2HD1 LEU 86 -1.121 6.142 -0.505 709 3HD1 LEU 86 3HD1 LEU 86 -2.197 5.682 -1.837 710 1HD2 LEU 86 1HD2 LEU 86 -1.727 8.552 -1.043 711 2HD2 LEU 86 2HD2 LEU 86 -1.387 9.202 -2.663 712 3HD2 LEU 86 3HD2 LEU 86 -2.688 8.028 -2.442 713 H LEU 87 H LEU 87 1.109 4.890 -4.109 714 HA LEU 87 HA LEU 87 1.935 6.396 -6.565 715 1HB LEU 87 1HB LEU 87 1.241 3.465 -6.082 716 2HB LEU 87 2HB LEU 87 1.155 4.235 -7.670 717 HG LEU 87 HG LEU 87 3.567 4.966 -7.380 718 1HD1 LEU 87 1HD1 LEU 87 3.760 4.467 -4.920 719 2HD1 LEU 87 2HD1 LEU 87 3.517 2.747 -5.283 720 3HD1 LEU 87 3HD1 LEU 87 4.934 3.615 -5.934 721 1HD2 LEU 87 1HD2 LEU 87 2.857 2.009 -7.598 722 2HD2 LEU 87 2HD2 LEU 87 2.857 3.194 -8.921 723 3HD2 LEU 87 3HD2 LEU 87 4.381 2.745 -8.141 724 H ARG 88 H ARG 88 -0.840 4.503 -5.190 725 HA ARG 88 HA ARG 88 -2.662 6.511 -6.242 726 1HB ARG 88 1HB ARG 88 -4.022 5.052 -7.555 727 2HB ARG 88 2HB ARG 88 -2.406 5.101 -8.242 728 1HG ARG 88 1HG ARG 88 -3.106 2.836 -6.341 729 2HG ARG 88 2HG ARG 88 -3.830 2.856 -7.940 730 1HD ARG 88 1HD ARG 88 -0.835 3.043 -7.518 731 2HD ARG 88 2HD ARG 88 -1.684 1.524 -7.764 732 HE ARG 88 HE ARG 88 -1.011 3.525 -9.744 733 1HH1 ARG 88 1HH1 ARG 88 -3.355 0.992 -8.980 734 2HH1 ARG 88 2HH1 ARG 88 -3.665 0.575 -10.643 735 1HH2 ARG 88 1HH2 ARG 88 -1.428 3.016 -11.921 736 2HH2 ARG 88 2HH2 ARG 88 -2.568 1.770 -12.346 737 H PHE 89 H PHE 89 -4.831 6.181 -5.608 738 HA PHE 89 HA PHE 89 -5.325 4.480 -3.228 739 1HB PHE 89 1HB PHE 89 -4.581 6.744 -2.511 740 2HB PHE 89 2HB PHE 89 -5.848 7.474 -3.487 741 HD1 PHE 89 HD1 PHE 89 -8.156 7.508 -2.705 742 HD2 PHE 89 HD2 PHE 89 -5.092 5.444 -0.476 743 HE1 PHE 89 HE1 PHE 89 -9.717 7.226 -0.811 744 HE2 PHE 89 HE2 PHE 89 -6.661 5.197 1.434 745 HZ PHE 89 HZ PHE 89 -9.012 5.956 1.214 746 H ASN 90 H ASN 90 -6.699 3.136 -4.465 747 HA ASN 90 HA ASN 90 -8.713 4.409 -6.258 748 1HB ASN 90 1HB ASN 90 -8.094 1.473 -5.894 749 2HB ASN 90 2HB ASN 90 -9.013 2.221 -7.185 750 1HD2 ASN 90 1HD2 ASN 90 -7.646 4.016 -8.459 751 2HD2 ASN 90 2HD2 ASN 90 -6.041 3.465 -8.898 752 H GLY 91 H GLY 91 -10.916 4.108 -5.877 753 1HA GLY 91 1HA GLY 91 -12.490 2.395 -4.846 754 2HA GLY 91 2HA GLY 91 -11.739 2.851 -3.308 755 HA PRO 92 HA PRO 92 -13.435 2.905 -1.913 756 1HB PRO 92 1HB PRO 92 -16.053 2.915 -1.220 757 2HB PRO 92 2HB PRO 92 -14.905 4.190 -0.721 758 1HG PRO 92 1HG PRO 92 -16.829 4.257 -3.070 759 2HG PRO 92 2HG PRO 92 -16.629 5.497 -1.795 760 1HD PRO 92 1HD PRO 92 -15.365 5.679 -4.221 761 2HD PRO 92 2HD PRO 92 -14.566 6.223 -2.723 762 H VAL 93 H VAL 93 -14.231 0.695 -1.900 763 HA VAL 93 HA VAL 93 -16.061 -0.074 -4.110 764 HB VAL 93 HB VAL 93 -14.800 -2.226 -4.344 765 1HG1 VAL 93 1HG1 VAL 93 -14.703 -0.419 -6.029 766 2HG1 VAL 93 2HG1 VAL 93 -13.290 0.269 -5.200 767 3HG1 VAL 93 3HG1 VAL 93 -13.191 -1.341 -5.937 768 1HG2 VAL 93 1HG2 VAL 93 -13.382 -2.104 -2.297 769 2HG2 VAL 93 2HG2 VAL 93 -12.436 -2.311 -3.775 770 3HG2 VAL 93 3HG2 VAL 93 -12.511 -0.721 -2.996 771 HA PRO 94 HA PRO 94 -17.900 -2.216 -0.612 772 1HB PRO 94 1HB PRO 94 -19.934 -3.523 -1.837 773 2HB PRO 94 2HB PRO 94 -19.922 -1.747 -1.639 774 1HG PRO 94 1HG PRO 94 -19.164 -3.339 -4.099 775 2HG PRO 94 2HG PRO 94 -20.197 -1.889 -4.001 776 1HD PRO 94 1HD PRO 94 -17.506 -1.827 -4.652 777 2HD PRO 94 2HD PRO 94 -18.343 -0.473 -3.831 778 HA PRO 95 HA PRO 95 -15.681 -6.118 -1.558 779 1HB PRO 95 1HB PRO 95 -15.572 -7.216 0.946 780 2HB PRO 95 2HB PRO 95 -14.533 -5.851 0.445 781 1HG PRO 95 1HG PRO 95 -17.149 -5.732 1.972 782 2HG PRO 95 2HG PRO 95 -15.611 -4.920 2.386 783 1HD PRO 95 1HD PRO 95 -17.645 -3.670 1.056 784 2HD PRO 95 2HD PRO 95 -15.933 -3.289 0.692 785 HA PRO 96 HA PRO 96 -19.319 -8.737 -1.847 786 1HB PRO 96 1HB PRO 96 -18.257 -11.252 -2.032 787 2HB PRO 96 2HB PRO 96 -18.104 -10.040 -3.336 788 1HG PRO 96 1HG PRO 96 -16.077 -10.684 -1.173 789 2HG PRO 96 2HG PRO 96 -15.795 -10.578 -2.936 790 1HD PRO 96 1HD PRO 96 -15.267 -8.488 -1.277 791 2HD PRO 96 2HD PRO 96 -15.969 -8.202 -2.898 Start of MODEL 9 1 1H GLY 1 1H GLY 1 10.721 -10.336 -6.292 2 2H GLY 1 2H GLY 1 11.169 -11.258 -7.576 3 3H GLY 1 3H GLY 1 11.568 -9.658 -7.533 4 1HA GLY 1 1HA GLY 1 9.264 -9.024 -7.666 5 2HA GLY 1 2HA GLY 1 9.759 -10.007 -9.055 6 H GLU 2 H GLU 2 8.603 -10.505 -5.701 7 HA GLU 2 HA GLU 2 6.899 -12.786 -6.585 8 1HB GLU 2 1HB GLU 2 7.419 -13.773 -4.406 9 2HB GLU 2 2HB GLU 2 8.822 -13.630 -5.455 10 1HG GLU 2 1HG GLU 2 8.251 -11.785 -3.078 11 2HG GLU 2 2HG GLU 2 9.314 -13.179 -3.077 12 H TRP 3 H TRP 3 4.779 -12.257 -6.389 13 HA TRP 3 HA TRP 3 3.874 -10.115 -4.627 14 1HB TRP 3 1HB TRP 3 2.504 -12.063 -6.470 15 2HB TRP 3 2HB TRP 3 1.602 -11.130 -5.289 16 HD1 TRP 3 HD1 TRP 3 2.453 -10.908 -8.746 17 HE1 TRP 3 HE1 TRP 3 2.165 -8.547 -9.658 18 HE3 TRP 3 HE3 TRP 3 2.267 -8.330 -4.311 19 HZ2 TRP 3 HZ2 TRP 3 1.882 -5.859 -8.607 20 HZ3 TRP 3 HZ3 TRP 3 1.974 -5.880 -4.305 21 HH2 TRP 3 HH2 TRP 3 1.789 -4.631 -6.440 22 H GLU 4 H GLU 4 4.261 -10.609 -2.459 23 HA GLU 4 HA GLU 4 3.186 -13.217 -1.421 24 1HB GLU 4 1HB GLU 4 5.360 -11.411 -0.319 25 2HB GLU 4 2HB GLU 4 4.791 -12.910 0.402 26 1HG GLU 4 1HG GLU 4 6.203 -12.644 -2.289 27 2HG GLU 4 2HG GLU 4 6.906 -13.295 -0.804 28 H ILE 5 H ILE 5 1.828 -13.144 0.315 29 HA ILE 5 HA ILE 5 0.477 -10.596 0.844 30 HB ILE 5 HB ILE 5 -0.143 -13.269 2.081 31 1HG1 ILE 5 1HG1 ILE 5 -2.105 -13.235 0.401 32 2HG1 ILE 5 2HG1 ILE 5 -1.153 -12.107 -0.559 33 1HG2 ILE 5 1HG2 ILE 5 -1.115 -11.288 3.201 34 2HG2 ILE 5 2HG2 ILE 5 -1.875 -10.818 1.663 35 3HG2 ILE 5 3HG2 ILE 5 -2.342 -12.320 2.477 36 1HD1 ILE 5 1HD1 ILE 5 -0.187 -14.886 0.283 37 2HD1 ILE 5 2HD1 ILE 5 -1.109 -14.581 -1.198 38 3HD1 ILE 5 3HD1 ILE 5 0.487 -13.866 -1.015 39 H ILE 6 H ILE 6 0.566 -9.556 2.918 40 HA ILE 6 HA ILE 6 2.453 -10.721 4.913 41 HB ILE 6 HB ILE 6 3.082 -8.480 5.523 42 1HG1 ILE 6 1HG1 ILE 6 1.724 -7.430 3.015 43 2HG1 ILE 6 2HG1 ILE 6 1.046 -7.305 4.649 44 1HG2 ILE 6 1HG2 ILE 6 4.389 -9.860 3.878 45 2HG2 ILE 6 2HG2 ILE 6 3.633 -8.935 2.563 46 3HG2 ILE 6 3HG2 ILE 6 4.678 -8.123 3.753 47 1HD1 ILE 6 1HD1 ILE 6 3.009 -6.030 5.416 48 2HD1 ILE 6 2HD1 ILE 6 3.681 -6.074 3.768 49 3HD1 ILE 6 3HD1 ILE 6 2.163 -5.224 4.084 50 H ASP 7 H ASP 7 2.019 -10.128 7.101 51 HA ASP 7 HA ASP 7 -0.691 -10.451 7.834 52 1HB ASP 7 1HB ASP 7 1.689 -9.475 9.473 53 2HB ASP 7 2HB ASP 7 0.144 -10.040 10.129 54 H ILE 8 H ILE 8 -2.207 -9.006 8.534 55 HA ILE 8 HA ILE 8 -1.680 -6.119 8.338 56 HB ILE 8 HB ILE 8 -4.223 -6.230 8.839 57 1HG1 ILE 8 1HG1 ILE 8 -5.413 -7.939 7.548 58 2HG1 ILE 8 2HG1 ILE 8 -3.934 -8.857 7.303 59 1HG2 ILE 8 1HG2 ILE 8 -3.096 -5.238 6.846 60 2HG2 ILE 8 2HG2 ILE 8 -3.011 -6.848 6.108 61 3HG2 ILE 8 3HG2 ILE 8 -4.580 -6.068 6.378 62 1HD1 ILE 8 1HD1 ILE 8 -3.858 -9.403 9.690 63 2HD1 ILE 8 2HD1 ILE 8 -5.181 -8.254 10.030 64 3HD1 ILE 8 3HD1 ILE 8 -5.486 -9.723 9.088 65 H GLY 9 H GLY 9 -1.138 -5.081 10.131 66 1HA GLY 9 1HA GLY 9 -2.293 -5.585 12.742 67 2HA GLY 9 2HA GLY 9 -0.636 -6.226 12.561 68 HA PRO 10 HA PRO 10 -0.795 -1.668 13.847 69 1HB PRO 10 1HB PRO 10 1.581 -1.750 15.356 70 2HB PRO 10 2HB PRO 10 -0.093 -1.913 15.948 71 1HG PRO 10 1HG PRO 10 1.854 -4.109 15.249 72 2HG PRO 10 2HG PRO 10 0.748 -4.013 16.650 73 1HD PRO 10 1HD PRO 10 0.118 -5.521 14.526 74 2HD PRO 10 2HD PRO 10 -1.152 -4.511 15.272 75 H PHE 11 H PHE 11 2.169 -3.442 12.910 76 HA PHE 11 HA PHE 11 3.668 -1.427 11.737 77 1HB PHE 11 1HB PHE 11 4.378 -3.766 12.079 78 2HB PHE 11 2HB PHE 11 3.273 -4.309 10.824 79 HD1 PHE 11 HD1 PHE 11 6.431 -2.500 11.525 80 HD2 PHE 11 HD2 PHE 11 3.816 -4.037 8.449 81 HE1 PHE 11 HE1 PHE 11 8.256 -2.299 9.865 82 HE2 PHE 11 HE2 PHE 11 5.643 -3.813 6.794 83 HZ PHE 11 HZ PHE 11 7.870 -2.958 7.500 84 H THR 12 H THR 12 1.196 -3.509 10.105 85 HA THR 12 HA THR 12 1.330 -2.195 7.598 86 HB THR 12 HB THR 12 -1.157 -3.616 8.346 87 HG1 THR 12 HG1 THR 12 0.461 -5.618 8.388 88 1HG2 THR 12 1HG2 THR 12 -0.404 -3.305 6.012 89 2HG2 THR 12 2HG2 THR 12 1.050 -4.280 6.364 90 3HG2 THR 12 3HG2 THR 12 -0.567 -5.023 6.437 91 H GLN 13 H GLN 13 -0.763 -1.791 10.472 92 HA GLN 13 HA GLN 13 -2.645 0.013 9.360 93 1HB GLN 13 1HB GLN 13 -1.567 -0.437 12.165 94 2HB GLN 13 2HB GLN 13 -2.838 0.715 11.806 95 1HG GLN 13 1HG GLN 13 -4.335 -1.010 11.026 96 2HG GLN 13 2HG GLN 13 -3.053 -2.229 11.063 97 1HE2 GLN 13 1HE2 GLN 13 -4.984 -0.043 13.180 98 2HE2 GLN 13 2HE2 GLN 13 -4.862 -1.089 14.580 99 H ASN 14 H ASN 14 0.566 0.567 10.941 100 HA ASN 14 HA ASN 14 0.551 3.366 10.841 101 1HB ASN 14 1HB ASN 14 2.323 1.970 11.897 102 2HB ASN 14 2HB ASN 14 2.936 1.545 10.290 103 1HD2 ASN 14 1HD2 ASN 14 3.235 3.796 12.836 104 2HD2 ASN 14 2HD2 ASN 14 4.152 4.998 11.925 105 H LEU 15 H LEU 15 1.635 1.089 8.261 106 HA LEU 15 HA LEU 15 2.227 3.134 6.336 107 1HB LEU 15 1HB LEU 15 1.400 0.234 5.919 108 2HB LEU 15 2HB LEU 15 2.020 1.298 4.658 109 HG LEU 15 HG LEU 15 3.573 0.479 7.159 110 1HD1 LEU 15 1HD1 LEU 15 3.184 -1.400 5.609 111 2HD1 LEU 15 2HD1 LEU 15 3.809 -0.429 4.258 112 3HD1 LEU 15 3HD1 LEU 15 4.884 -0.904 5.591 113 1HD2 LEU 15 1HD2 LEU 15 4.379 2.080 4.684 114 2HD2 LEU 15 2HD2 LEU 15 4.387 2.649 6.368 115 3HD2 LEU 15 3HD2 LEU 15 5.527 1.406 5.857 116 H GLY 16 H GLY 16 -0.741 1.225 6.912 117 1HA GLY 16 1HA GLY 16 -2.375 2.350 4.886 118 2HA GLY 16 2HA GLY 16 -2.937 1.721 6.440 119 H LYS 17 H LYS 17 -1.612 3.581 8.190 120 HA LYS 17 HA LYS 17 -3.531 5.654 8.191 121 1HB LYS 17 1HB LYS 17 -1.977 4.498 10.092 122 2HB LYS 17 2HB LYS 17 -0.936 5.861 9.749 123 1HG LYS 17 1HG LYS 17 -3.831 5.911 10.700 124 2HG LYS 17 2HG LYS 17 -2.378 6.379 11.600 125 1HD LYS 17 1HD LYS 17 -1.972 8.130 9.766 126 2HD LYS 17 2HD LYS 17 -3.588 7.728 9.153 127 1HE LYS 17 1HE LYS 17 -3.794 9.704 10.516 128 2HE LYS 17 2HE LYS 17 -4.588 8.361 11.353 129 1HZ LYS 17 1HZ LYS 17 -2.634 8.155 12.720 130 2HZ LYS 17 2HZ LYS 17 -1.886 9.382 11.910 131 3HZ LYS 17 3HZ LYS 17 -3.233 9.686 12.809 132 H PHE 18 H PHE 18 -0.054 5.492 7.562 133 HA PHE 18 HA PHE 18 0.426 8.136 6.692 134 1HB PHE 18 1HB PHE 18 2.326 6.786 7.020 135 2HB PHE 18 2HB PHE 18 1.665 5.441 6.125 136 HD1 PHE 18 HD1 PHE 18 1.794 5.258 3.706 137 HD2 PHE 18 HD2 PHE 18 3.414 8.684 5.776 138 HE1 PHE 18 HE1 PHE 18 3.058 5.900 1.673 139 HE2 PHE 18 HE2 PHE 18 4.746 9.259 3.764 140 HZ PHE 18 HZ PHE 18 4.611 7.829 1.735 141 H ALA 19 H ALA 19 -0.763 5.358 4.800 142 HA ALA 19 HA ALA 19 -0.859 6.679 2.298 143 1HB ALA 19 1HB ALA 19 -1.206 4.206 2.791 144 2HB ALA 19 2HB ALA 19 -2.879 4.589 3.217 145 3HB ALA 19 3HB ALA 19 -2.302 4.923 1.580 146 H VAL 20 H VAL 20 -3.394 6.296 4.763 147 HA VAL 20 HA VAL 20 -5.325 7.942 3.389 148 HB VAL 20 HB VAL 20 -5.085 7.091 6.286 149 1HG1 VAL 20 1HG1 VAL 20 -6.477 9.063 6.329 150 2HG1 VAL 20 2HG1 VAL 20 -7.324 8.580 4.838 151 3HG1 VAL 20 3HG1 VAL 20 -7.587 7.692 6.343 152 1HG2 VAL 20 1HG2 VAL 20 -6.855 6.160 3.959 153 2HG2 VAL 20 2HG2 VAL 20 -5.483 5.259 4.621 154 3HG2 VAL 20 3HG2 VAL 20 -6.929 5.525 5.608 155 H ASP 21 H ASP 21 -2.765 8.707 5.748 156 HA ASP 21 HA ASP 21 -3.538 11.374 6.288 157 1HB ASP 21 1HB ASP 21 -1.975 10.206 7.706 158 2HB ASP 21 2HB ASP 21 -0.826 10.006 6.379 159 H GLU 22 H GLU 22 -1.298 9.968 3.880 160 HA GLU 22 HA GLU 22 -0.566 12.347 2.549 161 1HB GLU 22 1HB GLU 22 0.490 10.068 2.171 162 2HB GLU 22 2HB GLU 22 -0.984 9.578 1.322 163 1HG GLU 22 1HG GLU 22 0.668 10.215 -0.297 164 2HG GLU 22 2HG GLU 22 -0.581 11.466 -0.326 165 H GLU 23 H GLU 23 -3.323 10.067 1.955 166 HA GLU 23 HA GLU 23 -4.404 11.644 -0.159 167 1HB GLU 23 1HB GLU 23 -4.956 9.179 0.651 168 2HB GLU 23 2HB GLU 23 -6.217 9.982 1.598 169 1HG GLU 23 1HG GLU 23 -5.786 10.142 -1.432 170 2HG GLU 23 2HG GLU 23 -7.012 9.189 -0.595 171 H ASN 24 H ASN 24 -4.985 11.850 3.364 172 HA ASN 24 HA ASN 24 -7.012 13.857 3.274 173 1HB ASN 24 1HB ASN 24 -4.938 12.915 5.276 174 2HB ASN 24 2HB ASN 24 -5.718 14.454 5.510 175 1HD2 ASN 24 1HD2 ASN 24 -6.570 11.020 4.804 176 2HD2 ASN 24 2HD2 ASN 24 -7.956 11.011 5.906 177 H LYS 25 H LYS 25 -3.406 13.976 3.197 178 HA LYS 25 HA LYS 25 -3.269 16.827 3.128 179 1HB LYS 25 1HB LYS 25 -1.438 15.368 3.781 180 2HB LYS 25 2HB LYS 25 -1.236 14.784 2.134 181 1HG LYS 25 1HG LYS 25 -1.099 17.759 2.669 182 2HG LYS 25 2HG LYS 25 0.253 16.713 3.130 183 1HD LYS 25 1HD LYS 25 0.428 15.844 0.826 184 2HD LYS 25 2HD LYS 25 -0.883 16.921 0.303 185 1HE LYS 25 1HE LYS 25 0.445 18.894 0.961 186 2HE LYS 25 2HE LYS 25 1.756 17.838 1.533 187 1HZ LYS 25 1HZ LYS 25 1.991 17.022 -0.690 188 2HZ LYS 25 2HZ LYS 25 0.777 18.000 -1.228 189 3HZ LYS 25 3HZ LYS 25 2.173 18.661 -0.655 190 H ILE 26 H ILE 26 -3.567 14.405 0.460 191 HA ILE 26 HA ILE 26 -3.397 16.347 -1.652 192 HB ILE 26 HB ILE 26 -5.063 13.808 -1.662 193 1HG1 ILE 26 1HG1 ILE 26 -2.989 12.886 -1.156 194 2HG1 ILE 26 2HG1 ILE 26 -3.099 12.768 -2.892 195 1HG2 ILE 26 1HG2 ILE 26 -5.496 15.351 -3.548 196 2HG2 ILE 26 2HG2 ILE 26 -3.768 15.382 -3.931 197 3HG2 ILE 26 3HG2 ILE 26 -4.700 13.880 -4.104 198 1HD1 ILE 26 1HD1 ILE 26 -1.633 14.800 -3.054 199 2HD1 ILE 26 2HD1 ILE 26 -1.492 14.778 -1.272 200 3HD1 ILE 26 3HD1 ILE 26 -0.885 13.414 -2.222 201 H GLY 27 H GLY 27 -6.114 15.060 0.259 202 1HA GLY 27 1HA GLY 27 -8.120 15.968 0.830 203 2HA GLY 27 2HA GLY 27 -7.712 17.460 -0.028 204 H GLN 28 H GLN 28 -7.282 14.794 -2.137 205 HA GLN 28 HA GLN 28 -9.309 15.855 -3.801 206 1HB GLN 28 1HB GLN 28 -7.315 13.672 -4.002 207 2HB GLN 28 2HB GLN 28 -8.764 13.366 -4.949 208 1HG GLN 28 1HG GLN 28 -7.255 16.002 -5.094 209 2HG GLN 28 2HG GLN 28 -6.918 14.618 -6.140 210 1HE2 GLN 28 1HE2 GLN 28 -10.387 14.877 -5.449 211 2HE2 GLN 28 2HE2 GLN 28 -10.730 15.668 -6.969 212 H TYR 29 H TYR 29 -9.466 13.209 -1.510 213 HA TYR 29 HA TYR 29 -12.379 12.845 -2.211 214 1HB TYR 29 1HB TYR 29 -10.348 10.969 -0.976 215 2HB TYR 29 2HB TYR 29 -12.085 10.758 -0.810 216 HD1 TYR 29 HD1 TYR 29 -9.311 10.867 -3.307 217 HD2 TYR 29 HD2 TYR 29 -13.388 9.737 -2.500 218 HE1 TYR 29 HE1 TYR 29 -9.260 9.281 -5.224 219 HE2 TYR 29 HE2 TYR 29 -13.334 8.162 -4.413 220 HH TYR 29 HH TYR 29 -11.894 6.973 -5.801 221 H GLY 30 H GLY 30 -11.003 15.022 -0.664 222 1HA GLY 30 1HA GLY 30 -11.465 16.255 1.220 223 2HA GLY 30 2HA GLY 30 -12.729 15.093 1.665 224 H ARG 31 H ARG 31 -11.854 15.424 3.869 225 HA ARG 31 HA ARG 31 -9.273 14.096 4.489 226 1HB ARG 31 1HB ARG 31 -11.213 15.828 6.071 227 2HB ARG 31 2HB ARG 31 -9.876 14.949 6.813 228 1HG ARG 31 1HG ARG 31 -8.237 16.135 5.450 229 2HG ARG 31 2HG ARG 31 -9.526 17.002 4.582 230 1HD ARG 31 1HD ARG 31 -10.260 18.082 6.645 231 2HD ARG 31 2HD ARG 31 -9.091 17.133 7.600 232 HE ARG 31 HE ARG 31 -7.603 18.475 5.649 233 1HH1 ARG 31 1HH1 ARG 31 -9.657 19.313 8.381 234 2HH1 ARG 31 2HH1 ARG 31 -8.792 20.779 8.785 235 1HH2 ARG 31 1HH2 ARG 31 -6.442 20.359 6.165 236 2HH2 ARG 31 2HH2 ARG 31 -6.922 21.382 7.500 237 H LEU 32 H LEU 32 -9.552 11.880 4.618 238 HA LEU 32 HA LEU 32 -12.136 10.842 5.677 239 1HB LEU 32 1HB LEU 32 -9.944 9.276 4.281 240 2HB LEU 32 2HB LEU 32 -11.574 8.752 4.722 241 HG LEU 32 HG LEU 32 -12.142 11.001 3.208 242 1HD1 LEU 32 1HD1 LEU 32 -9.693 11.195 2.611 243 2HD1 LEU 32 2HD1 LEU 32 -9.781 9.579 1.880 244 3HD1 LEU 32 3HD1 LEU 32 -10.746 10.915 1.226 245 1HD2 LEU 32 1HD2 LEU 32 -11.815 8.135 2.253 246 2HD2 LEU 32 2HD2 LEU 32 -13.249 8.831 3.047 247 3HD2 LEU 32 3HD2 LEU 32 -12.762 9.411 1.444 248 H THR 33 H THR 33 -12.248 9.549 7.478 249 HA THR 33 HA THR 33 -10.002 9.686 9.331 250 HB THR 33 HB THR 33 -12.752 8.425 9.719 251 HG1 THR 33 HG1 THR 33 -11.958 11.138 9.850 252 1HG2 THR 33 1HG2 THR 33 -11.088 8.031 11.524 253 2HG2 THR 33 2HG2 THR 33 -10.804 9.783 11.645 254 3HG2 THR 33 3HG2 THR 33 -12.394 9.108 12.056 255 H PHE 34 H PHE 34 -8.432 8.175 8.806 256 HA PHE 34 HA PHE 34 -8.730 5.571 7.795 257 1HB PHE 34 1HB PHE 34 -6.579 6.412 8.024 258 2HB PHE 34 2HB PHE 34 -6.754 6.777 9.745 259 HD1 PHE 34 HD1 PHE 34 -5.955 4.190 7.239 260 HD2 PHE 34 HD2 PHE 34 -6.644 4.948 11.434 261 HE1 PHE 34 HE1 PHE 34 -4.816 2.070 7.821 262 HE2 PHE 34 HE2 PHE 34 -5.452 2.860 11.999 263 HZ PHE 34 HZ PHE 34 -4.478 1.449 10.192 264 H ASN 35 H ASN 35 -9.583 3.786 8.542 265 HA ASN 35 HA ASN 35 -10.591 3.670 11.360 266 1HB ASN 35 1HB ASN 35 -12.023 3.365 9.118 267 2HB ASN 35 2HB ASN 35 -11.457 1.714 9.237 268 1HD2 ASN 35 1HD2 ASN 35 -13.556 4.147 10.675 269 2HD2 ASN 35 2HD2 ASN 35 -14.290 3.050 11.846 270 H LYS 36 H LYS 36 -9.379 1.443 8.831 271 HA LYS 36 HA LYS 36 -7.079 0.669 10.254 272 1HB LYS 36 1HB LYS 36 -7.485 -1.632 10.819 273 2HB LYS 36 2HB LYS 36 -8.504 -0.599 11.791 274 1HG LYS 36 1HG LYS 36 -9.560 -1.985 9.279 275 2HG LYS 36 2HG LYS 36 -9.436 -2.795 10.847 276 1HD LYS 36 1HD LYS 36 -10.854 -1.010 11.885 277 2HD LYS 36 2HD LYS 36 -11.026 -0.275 10.284 278 1HE LYS 36 1HE LYS 36 -12.995 -1.569 10.814 279 2HE LYS 36 2HE LYS 36 -12.145 -2.283 9.423 280 1HZ LYS 36 1HZ LYS 36 -11.241 -3.915 10.905 281 2HZ LYS 36 2HZ LYS 36 -11.974 -3.216 12.213 282 3HZ LYS 36 3HZ LYS 36 -12.888 -3.913 11.027 283 H VAL 37 H VAL 37 -6.054 -1.356 9.162 284 HA VAL 37 HA VAL 37 -6.701 -1.403 6.266 285 HB VAL 37 HB VAL 37 -4.437 -0.702 6.850 286 1HG1 VAL 37 1HG1 VAL 37 -4.120 -1.968 8.950 287 2HG1 VAL 37 2HG1 VAL 37 -4.062 -3.485 8.041 288 3HG1 VAL 37 3HG1 VAL 37 -2.819 -2.241 7.792 289 1HG2 VAL 37 1HG2 VAL 37 -4.523 -3.432 5.488 290 2HG2 VAL 37 2HG2 VAL 37 -4.777 -1.849 4.718 291 3HG2 VAL 37 3HG2 VAL 37 -3.198 -2.270 5.406 292 H ILE 38 H ILE 38 -6.940 -3.452 5.249 293 HA ILE 38 HA ILE 38 -7.118 -5.818 7.010 294 HB ILE 38 HB ILE 38 -9.287 -6.467 6.088 295 1HG1 ILE 38 1HG1 ILE 38 -9.679 -3.631 5.067 296 2HG1 ILE 38 2HG1 ILE 38 -9.073 -4.914 4.011 297 1HG2 ILE 38 1HG2 ILE 38 -9.118 -5.310 8.287 298 2HG2 ILE 38 2HG2 ILE 38 -9.495 -3.772 7.482 299 3HG2 ILE 38 3HG2 ILE 38 -10.682 -5.087 7.499 300 1HD1 ILE 38 1HD1 ILE 38 -11.052 -6.312 4.519 301 2HD1 ILE 38 2HD1 ILE 38 -11.733 -4.973 5.474 302 3HD1 ILE 38 3HD1 ILE 38 -11.462 -4.783 3.733 303 H ARG 39 H ARG 39 -7.555 -7.773 5.667 304 HA ARG 39 HA ARG 39 -5.651 -8.052 3.584 305 1HB ARG 39 1HB ARG 39 -6.624 -10.325 3.357 306 2HB ARG 39 2HB ARG 39 -6.323 -9.878 5.038 307 1HG ARG 39 1HG ARG 39 -8.814 -9.246 5.196 308 2HG ARG 39 2HG ARG 39 -9.012 -9.954 3.589 309 1HD ARG 39 1HD ARG 39 -8.246 -12.131 4.432 310 2HD ARG 39 2HD ARG 39 -7.875 -11.401 6.015 311 HE ARG 39 HE ARG 39 -10.614 -10.937 5.275 312 1HH1 ARG 39 1HH1 ARG 39 -8.467 -13.464 6.487 313 2HH1 ARG 39 2HH1 ARG 39 -9.699 -14.266 7.423 314 1HH2 ARG 39 1HH2 ARG 39 -12.240 -11.972 6.485 315 2HH2 ARG 39 2HH2 ARG 39 -11.888 -13.408 7.406 316 HA PRO 40 HA PRO 40 -5.462 -9.401 1.612 317 1HB PRO 40 1HB PRO 40 -4.811 -8.930 -0.969 318 2HB PRO 40 2HB PRO 40 -6.176 -9.991 -0.517 319 1HG PRO 40 1HG PRO 40 -6.289 -7.073 -1.290 320 2HG PRO 40 2HG PRO 40 -7.270 -8.405 -1.962 321 1HD PRO 40 1HD PRO 40 -8.215 -6.801 0.052 322 2HD PRO 40 2HD PRO 40 -8.583 -8.546 0.021 323 H CYS 41 H CYS 41 -3.225 -8.843 1.594 324 HA CYS 41 HA CYS 41 -2.453 -6.028 1.154 325 1HB CYS 41 1HB CYS 41 -3.010 -6.103 3.565 326 2HB CYS 41 2HB CYS 41 -1.933 -7.522 3.750 327 HG CYS 41 HG CYS 41 -0.459 -5.742 4.567 328 H MET 42 H MET 42 -1.064 -6.453 -0.468 329 HA MET 42 HA MET 42 0.753 -8.797 -0.227 330 1HB MET 42 1HB MET 42 -1.448 -8.961 -1.652 331 2HB MET 42 2HB MET 42 -0.572 -7.954 -2.816 332 1HG MET 42 1HG MET 42 1.144 -9.720 -3.014 333 2HG MET 42 2HG MET 42 0.416 -10.602 -1.674 334 1HE MET 42 1HE MET 42 -1.787 -8.949 -4.539 335 2HE MET 42 2HE MET 42 -0.265 -9.374 -5.361 336 3HE MET 42 3HE MET 42 -1.755 -10.268 -5.725 337 H LYS 43 H LYS 43 2.836 -8.532 -0.917 338 HA LYS 43 HA LYS 43 3.561 -5.845 -1.962 339 1HB LYS 43 1HB LYS 43 5.465 -5.783 -0.589 340 2HB LYS 43 2HB LYS 43 4.137 -6.265 0.483 341 1HG LYS 43 1HG LYS 43 4.881 -8.612 0.377 342 2HG LYS 43 2HG LYS 43 6.172 -8.191 -0.763 343 1HD LYS 43 1HD LYS 43 7.146 -6.613 0.890 344 2HD LYS 43 2HD LYS 43 5.975 -7.173 2.093 345 1HE LYS 43 1HE LYS 43 8.055 -8.894 0.638 346 2HE LYS 43 2HE LYS 43 8.189 -8.308 2.302 347 1HZ LYS 43 1HZ LYS 43 6.266 -9.588 2.862 348 2HZ LYS 43 2HZ LYS 43 6.106 -10.124 1.313 349 3HZ LYS 43 3HZ LYS 43 7.422 -10.559 2.203 350 H LYS 44 H LYS 44 5.484 -5.740 -3.236 351 HA LYS 44 HA LYS 44 6.656 -8.262 -4.193 352 1HB LYS 44 1HB LYS 44 4.807 -7.990 -5.713 353 2HB LYS 44 2HB LYS 44 5.217 -6.289 -6.018 354 1HG LYS 44 1HG LYS 44 7.302 -6.984 -7.100 355 2HG LYS 44 2HG LYS 44 6.953 -8.692 -6.724 356 1HD LYS 44 1HD LYS 44 4.933 -8.588 -8.123 357 2HD LYS 44 2HD LYS 44 5.225 -6.875 -8.468 358 1HE LYS 44 1HE LYS 44 7.007 -9.228 -9.274 359 2HE LYS 44 2HE LYS 44 5.959 -8.290 -10.341 360 1HZ LYS 44 1HZ LYS 44 7.283 -6.360 -9.874 361 2HZ LYS 44 2HZ LYS 44 8.288 -7.220 -8.892 362 3HZ LYS 44 3HZ LYS 44 8.210 -7.570 -10.500 363 H THR 45 H THR 45 8.755 -7.993 -4.930 364 HA THR 45 HA THR 45 10.145 -5.523 -4.278 365 HB THR 45 HB THR 45 11.147 -8.025 -5.701 366 HG1 THR 45 HG1 THR 45 10.570 -8.752 -3.763 367 1HG2 THR 45 1HG2 THR 45 12.700 -6.148 -5.965 368 2HG2 THR 45 2HG2 THR 45 12.603 -5.790 -4.228 369 3HG2 THR 45 3HG2 THR 45 13.346 -7.303 -4.787 370 H ILE 46 H ILE 46 10.781 -3.929 -5.670 371 HA ILE 46 HA ILE 46 10.068 -4.176 -8.542 372 HB ILE 46 HB ILE 46 9.359 -2.223 -6.577 373 1HG1 ILE 46 1HG1 ILE 46 7.867 -1.449 -8.382 374 2HG1 ILE 46 2HG1 ILE 46 8.677 -2.527 -9.522 375 1HG2 ILE 46 1HG2 ILE 46 11.248 -0.854 -7.273 376 2HG2 ILE 46 2HG2 ILE 46 10.816 -1.077 -8.989 377 3HG2 ILE 46 3HG2 ILE 46 9.753 -0.174 -7.894 378 1HD1 ILE 46 1HD1 ILE 46 7.876 -4.492 -8.258 379 2HD1 ILE 46 2HD1 ILE 46 7.234 -3.438 -6.983 380 3HD1 ILE 46 3HD1 ILE 46 6.519 -3.420 -8.608 381 H TYR 47 H TYR 47 11.736 -4.433 -9.846 382 HA TYR 47 HA TYR 47 14.293 -3.124 -9.284 383 1HB TYR 47 1HB TYR 47 15.535 -5.121 -9.144 384 2HB TYR 47 2HB TYR 47 14.194 -5.343 -8.032 385 HD1 TYR 47 HD1 TYR 47 16.107 -6.724 -10.690 386 HD2 TYR 47 HD2 TYR 47 12.198 -6.782 -8.862 387 HE1 TYR 47 HE1 TYR 47 15.795 -9.039 -11.448 388 HE2 TYR 47 HE2 TYR 47 11.864 -9.082 -9.673 389 HH TYR 47 HH TYR 47 12.786 -10.880 -10.797 390 H GLU 48 H GLU 48 15.874 -3.907 -11.118 391 HA GLU 48 HA GLU 48 14.462 -4.334 -13.664 392 1HB GLU 48 1HB GLU 48 16.447 -2.095 -13.077 393 2HB GLU 48 2HB GLU 48 16.022 -2.643 -14.702 394 1HG GLU 48 1HG GLU 48 13.620 -2.146 -14.260 395 2HG GLU 48 2HG GLU 48 14.059 -1.486 -12.677 396 H ASN 49 H ASN 49 15.813 -5.164 -15.167 397 HA ASN 49 HA ASN 49 17.936 -7.006 -14.172 398 1HB ASN 49 1HB ASN 49 16.133 -8.014 -15.418 399 2HB ASN 49 2HB ASN 49 16.278 -6.842 -16.731 400 1HD2 ASN 49 1HD2 ASN 49 16.229 -9.324 -17.592 401 2HD2 ASN 49 2HD2 ASN 49 17.842 -9.879 -18.016 402 H GLU 50 H GLU 50 17.284 -4.996 -16.988 403 HA GLU 50 HA GLU 50 19.148 -4.618 -18.587 404 1HB GLU 50 1HB GLU 50 18.222 -2.190 -16.998 405 2HB GLU 50 2HB GLU 50 18.907 -2.212 -18.622 406 1HG GLU 50 1HG GLU 50 16.679 -2.110 -19.142 407 2HG GLU 50 2HG GLU 50 16.912 -3.857 -19.197 408 H GLY 51 H GLY 51 21.073 -5.591 -17.916 409 1HA GLY 51 1HA GLY 51 23.440 -4.602 -17.695 410 2HA GLY 51 2HA GLY 51 22.881 -4.052 -16.104 411 H PHE 52 H PHE 52 21.697 -5.784 -14.858 412 HA PHE 52 HA PHE 52 22.420 -8.535 -15.156 413 1HB PHE 52 1HB PHE 52 23.886 -6.998 -12.948 414 2HB PHE 52 2HB PHE 52 23.743 -8.745 -13.056 415 HD1 PHE 52 HD1 PHE 52 24.719 -9.923 -15.150 416 HD2 PHE 52 HD2 PHE 52 25.675 -5.861 -14.050 417 HE1 PHE 52 HE1 PHE 52 26.739 -10.002 -16.584 418 HE2 PHE 52 HE2 PHE 52 27.687 -5.949 -15.491 419 HZ PHE 52 HZ PHE 52 28.222 -8.017 -16.764 420 H ARG 53 H ARG 53 21.980 -6.237 -12.401 421 HA ARG 53 HA ARG 53 19.243 -6.812 -11.967 422 1HB ARG 53 1HB ARG 53 19.446 -8.039 -9.827 423 2HB ARG 53 2HB ARG 53 20.044 -8.985 -11.176 424 1HG ARG 53 1HG ARG 53 21.762 -9.419 -9.779 425 2HG ARG 53 2HG ARG 53 22.411 -7.900 -10.396 426 1HD ARG 53 1HD ARG 53 21.335 -6.744 -8.392 427 2HD ARG 53 2HD ARG 53 20.867 -8.360 -7.807 428 HE ARG 53 HE ARG 53 23.656 -8.317 -8.382 429 1HH1 ARG 53 1HH1 ARG 53 21.357 -7.017 -6.051 430 2HH1 ARG 53 2HH1 ARG 53 22.534 -6.794 -4.782 431 1HH2 ARG 53 1HH2 ARG 53 25.215 -8.031 -6.748 432 2HH2 ARG 53 2HH2 ARG 53 24.767 -7.389 -5.189 433 H GLU 54 H GLU 54 18.448 -5.235 -10.511 434 HA GLU 54 HA GLU 54 20.097 -4.222 -8.427 435 1HB GLU 54 1HB GLU 54 20.893 -2.738 -10.290 436 2HB GLU 54 2HB GLU 54 19.221 -2.206 -10.546 437 1HG GLU 54 1HG GLU 54 19.194 -1.338 -8.172 438 2HG GLU 54 2HG GLU 54 20.881 -1.854 -8.000 439 H ILE 55 H ILE 55 18.660 -4.307 -6.780 440 HA ILE 55 HA ILE 55 15.778 -4.061 -7.191 441 HB ILE 55 HB ILE 55 17.434 -4.300 -4.661 442 1HG1 ILE 55 1HG1 ILE 55 15.649 -6.300 -6.143 443 2HG1 ILE 55 2HG1 ILE 55 17.417 -6.302 -6.177 444 1HG2 ILE 55 1HG2 ILE 55 15.337 -3.078 -4.210 445 2HG2 ILE 55 2HG2 ILE 55 14.408 -4.297 -5.102 446 3HG2 ILE 55 3HG2 ILE 55 15.207 -4.705 -3.571 447 1HD1 ILE 55 1HD1 ILE 55 17.439 -6.633 -3.693 448 2HD1 ILE 55 2HD1 ILE 55 15.673 -6.851 -3.748 449 3HD1 ILE 55 3HD1 ILE 55 16.726 -7.968 -4.621 450 H LYS 56 H LYS 56 14.684 -2.211 -7.250 451 HA LYS 56 HA LYS 56 16.176 0.309 -6.633 452 1HB LYS 56 1HB LYS 56 13.736 -0.160 -8.384 453 2HB LYS 56 2HB LYS 56 14.601 1.368 -8.125 454 1HG LYS 56 1HG LYS 56 16.709 0.219 -9.020 455 2HG LYS 56 2HG LYS 56 15.713 -1.180 -9.391 456 1HD LYS 56 1HD LYS 56 15.910 -0.028 -11.421 457 2HD LYS 56 2HD LYS 56 14.260 0.261 -10.854 458 1HE LYS 56 1HE LYS 56 15.221 2.303 -11.782 459 2HE LYS 56 2HE LYS 56 14.966 2.533 -10.048 460 1HZ LYS 56 1HZ LYS 56 17.302 2.086 -9.725 461 2HZ LYS 56 2HZ LYS 56 17.518 1.834 -11.337 462 3HZ LYS 56 3HZ LYS 56 17.098 3.329 -10.785 463 H GLY 57 H GLY 57 13.187 -1.579 -5.957 464 1HA GLY 57 1HA GLY 57 12.925 -0.370 -3.377 465 2HA GLY 57 2HA GLY 57 11.789 0.362 -4.544 466 H TYR 58 H TYR 58 10.199 -0.593 -3.045 467 HA TYR 58 HA TYR 58 9.355 -3.244 -4.044 468 1HB TYR 58 1HB TYR 58 9.059 -2.457 -1.145 469 2HB TYR 58 2HB TYR 58 8.764 -4.015 -1.880 470 HD1 TYR 58 HD1 TYR 58 10.534 -5.682 -1.997 471 HD2 TYR 58 HD2 TYR 58 11.450 -1.627 -0.866 472 HE1 TYR 58 HE1 TYR 58 12.895 -6.317 -1.611 473 HE2 TYR 58 HE2 TYR 58 13.799 -2.260 -0.468 474 HH TYR 58 HH TYR 58 15.379 -3.946 -0.612 475 H GLU 59 H GLU 59 7.047 -3.485 -3.722 476 HA GLU 59 HA GLU 59 5.507 -0.954 -3.389 477 1HB GLU 59 1HB GLU 59 5.166 -3.069 -5.549 478 2HB GLU 59 2HB GLU 59 3.913 -1.891 -5.105 479 1HG GLU 59 1HG GLU 59 5.434 -0.021 -5.598 480 2HG GLU 59 2HG GLU 59 6.698 -1.157 -6.096 481 H TYR 60 H TYR 60 3.535 -1.211 -2.373 482 HA TYR 60 HA TYR 60 2.837 -3.888 -1.251 483 1HB TYR 60 1HB TYR 60 2.974 -1.294 0.273 484 2HB TYR 60 2HB TYR 60 2.409 -2.829 0.884 485 HD1 TYR 60 HD1 TYR 60 3.898 -4.319 1.970 486 HD2 TYR 60 HD2 TYR 60 5.483 -1.073 -0.416 487 HE1 TYR 60 HE1 TYR 60 6.127 -4.643 2.979 488 HE2 TYR 60 HE2 TYR 60 7.706 -1.459 0.568 489 HH TYR 60 HH TYR 60 8.319 -3.874 3.055 490 H GLN 61 H GLN 61 0.886 -4.242 -2.055 491 HA GLN 61 HA GLN 61 -1.027 -2.020 -2.599 492 1HB GLN 61 1HB GLN 61 -0.412 -3.396 -4.508 493 2HB GLN 61 2HB GLN 61 -0.855 -4.874 -3.659 494 1HG GLN 61 1HG GLN 61 -3.058 -2.890 -3.634 495 2HG GLN 61 2HG GLN 61 -2.484 -3.200 -5.269 496 1HE2 GLN 61 1HE2 GLN 61 -2.774 -5.491 -2.436 497 2HE2 GLN 61 2HE2 GLN 61 -3.871 -6.558 -3.295 498 H LEU 62 H LEU 62 -2.419 -1.732 -0.897 499 HA LEU 62 HA LEU 62 -3.392 -4.095 0.610 500 1HB LEU 62 1HB LEU 62 -2.802 -3.011 2.742 501 2HB LEU 62 2HB LEU 62 -1.423 -3.395 1.710 502 HG LEU 62 HG LEU 62 -1.579 -0.863 0.954 503 1HD1 LEU 62 1HD1 LEU 62 -3.643 -0.347 2.333 504 2HD1 LEU 62 2HD1 LEU 62 -2.700 -0.727 3.787 505 3HD1 LEU 62 3HD1 LEU 62 -2.229 0.632 2.760 506 1HD2 LEU 62 1HD2 LEU 62 -0.453 -1.811 3.618 507 2HD2 LEU 62 2HD2 LEU 62 0.345 -1.916 2.033 508 3HD2 LEU 62 3HD2 LEU 62 0.031 -0.332 2.759 509 H TYR 63 H TYR 63 -5.379 -3.881 1.635 510 HA TYR 63 HA TYR 63 -7.044 -1.733 0.492 511 1HB TYR 63 1HB TYR 63 -7.471 -4.553 1.449 512 2HB TYR 63 2HB TYR 63 -8.795 -3.415 1.408 513 HD1 TYR 63 HD1 TYR 63 -10.023 -3.064 -0.586 514 HD2 TYR 63 HD2 TYR 63 -6.033 -4.683 -0.827 515 HE1 TYR 63 HE1 TYR 63 -10.345 -3.476 -2.988 516 HE2 TYR 63 HE2 TYR 63 -6.342 -5.044 -3.262 517 HH TYR 63 HH TYR 63 -9.392 -4.244 -4.939 518 H VAL 64 H VAL 64 -7.542 -0.057 1.714 519 HA VAL 64 HA VAL 64 -7.375 -0.274 4.668 520 HB VAL 64 HB VAL 64 -5.546 0.973 3.670 521 1HG1 VAL 64 1HG1 VAL 64 -6.675 1.937 1.677 522 2HG1 VAL 64 2HG1 VAL 64 -7.611 3.013 2.741 523 3HG1 VAL 64 3HG1 VAL 64 -5.850 3.158 2.654 524 1HG2 VAL 64 1HG2 VAL 64 -7.433 2.750 5.267 525 2HG2 VAL 64 2HG2 VAL 64 -6.391 1.479 5.945 526 3HG2 VAL 64 3HG2 VAL 64 -5.664 2.884 5.148 527 H TYR 65 H TYR 65 -9.079 0.255 5.869 528 HA TYR 65 HA TYR 65 -11.534 1.241 4.578 529 1HB TYR 65 1HB TYR 65 -10.852 -0.368 6.986 530 2HB TYR 65 2HB TYR 65 -12.020 0.899 7.272 531 HD1 TYR 65 HD1 TYR 65 -13.869 1.146 5.316 532 HD2 TYR 65 HD2 TYR 65 -11.919 -2.459 6.635 533 HE1 TYR 65 HE1 TYR 65 -15.811 -0.191 4.526 534 HE2 TYR 65 HE2 TYR 65 -13.867 -3.786 5.881 535 HH TYR 65 HH TYR 65 -15.936 -3.744 4.865 536 H ALA 66 H ALA 66 -11.839 3.370 4.528 537 HA ALA 66 HA ALA 66 -10.950 5.058 6.826 538 1HB ALA 66 1HB ALA 66 -9.388 5.387 4.913 539 2HB ALA 66 2HB ALA 66 -10.771 5.815 3.880 540 3HB ALA 66 3HB ALA 66 -10.350 6.829 5.282 541 H SER 67 H SER 67 -12.636 6.172 7.624 542 HA SER 67 HA SER 67 -14.803 6.783 7.975 543 1HB SER 67 1HB SER 67 -13.864 8.360 6.077 544 2HB SER 67 2HB SER 67 -15.047 7.528 5.052 545 HG SER 67 HG SER 67 -15.984 9.348 6.032 546 H ASP 68 H ASP 68 -14.552 4.075 7.564 547 HA ASP 68 HA ASP 68 -15.551 2.153 7.013 548 1HB ASP 68 1HB ASP 68 -17.261 3.197 8.517 549 2HB ASP 68 2HB ASP 68 -18.125 3.772 7.081 550 H LYS 69 H LYS 69 -14.604 3.744 4.719 551 HA LYS 69 HA LYS 69 -16.104 2.226 2.636 552 1HB LYS 69 1HB LYS 69 -14.775 4.961 2.508 553 2HB LYS 69 2HB LYS 69 -15.278 4.055 1.077 554 1HG LYS 69 1HG LYS 69 -17.161 4.905 3.321 555 2HG LYS 69 2HG LYS 69 -16.854 5.873 1.877 556 1HD LYS 69 1HD LYS 69 -17.689 4.097 0.413 557 2HD LYS 69 2HD LYS 69 -17.976 3.027 1.798 558 1HE LYS 69 1HE LYS 69 -19.332 5.730 1.404 559 2HE LYS 69 2HE LYS 69 -20.039 4.157 0.988 560 1HZ LYS 69 1HZ LYS 69 -19.823 3.519 3.284 561 2HZ LYS 69 2HZ LYS 69 -19.221 4.999 3.678 562 3HZ LYS 69 3HZ LYS 69 -20.767 4.863 3.122 563 H LEU 70 H LEU 70 -14.809 0.809 1.533 564 HA LEU 70 HA LEU 70 -12.048 0.585 2.499 565 1HB LEU 70 1HB LEU 70 -13.653 -1.356 2.480 566 2HB LEU 70 2HB LEU 70 -13.668 -1.257 0.726 567 HG LEU 70 HG LEU 70 -11.096 -1.566 0.843 568 1HD1 LEU 70 1HD1 LEU 70 -10.828 -1.034 3.277 569 2HD1 LEU 70 2HD1 LEU 70 -11.833 -2.432 3.674 570 3HD1 LEU 70 3HD1 LEU 70 -10.253 -2.654 2.910 571 1HD2 LEU 70 1HD2 LEU 70 -12.930 -3.774 1.871 572 2HD2 LEU 70 2HD2 LEU 70 -12.612 -3.376 0.166 573 3HD2 LEU 70 3HD2 LEU 70 -11.318 -4.032 1.183 574 H PHE 71 H PHE 71 -10.327 1.188 1.299 575 HA PHE 71 HA PHE 71 -10.646 1.725 -1.632 576 1HB PHE 71 1HB PHE 71 -9.150 3.309 0.498 577 2HB PHE 71 2HB PHE 71 -8.892 3.504 -1.229 578 HD1 PHE 71 HD1 PHE 71 -11.358 3.996 1.519 579 HD2 PHE 71 HD2 PHE 71 -10.334 4.818 -2.582 580 HE1 PHE 71 HE1 PHE 71 -12.998 5.855 1.469 581 HE2 PHE 71 HE2 PHE 71 -12.072 6.576 -2.666 582 HZ PHE 71 HZ PHE 71 -13.402 7.113 -0.639 583 H ARG 72 H ARG 72 -8.710 1.329 -2.822 584 HA ARG 72 HA ARG 72 -6.817 -0.605 -1.559 585 1HB ARG 72 1HB ARG 72 -7.949 -1.224 -3.717 586 2HB ARG 72 2HB ARG 72 -7.159 0.171 -4.472 587 1HG ARG 72 1HG ARG 72 -4.915 -0.852 -3.687 588 2HG ARG 72 2HG ARG 72 -5.847 -2.264 -3.179 589 1HD ARG 72 1HD ARG 72 -5.001 -2.755 -5.319 590 2HD ARG 72 2HD ARG 72 -6.707 -2.401 -5.600 591 HE ARG 72 HE ARG 72 -5.690 0.038 -6.012 592 1HH1 ARG 72 1HH1 ARG 72 -4.448 -3.063 -7.217 593 2HH1 ARG 72 2HH1 ARG 72 -3.593 -2.336 -8.545 594 1HH2 ARG 72 1HH2 ARG 72 -4.655 0.966 -7.766 595 2HH2 ARG 72 2HH2 ARG 72 -3.700 -0.004 -8.862 596 H ALA 73 H ALA 73 -4.811 0.173 -1.026 597 HA ALA 73 HA ALA 73 -3.868 2.758 -2.198 598 1HB ALA 73 1HB ALA 73 -4.381 2.938 0.224 599 2HB ALA 73 2HB ALA 73 -3.265 1.589 0.543 600 3HB ALA 73 3HB ALA 73 -2.652 3.115 -0.140 601 H ASP 74 H ASP 74 -2.006 2.614 -3.278 602 HA ASP 74 HA ASP 74 -0.317 0.140 -3.108 603 1HB ASP 74 1HB ASP 74 -1.279 0.302 -5.260 604 2HB ASP 74 2HB ASP 74 -0.834 2.023 -5.413 605 H ILE 75 H ILE 75 1.232 0.595 -1.794 606 HA ILE 75 HA ILE 75 2.409 3.335 -1.533 607 HB ILE 75 HB ILE 75 2.856 0.918 0.264 608 1HG1 ILE 75 1HG1 ILE 75 0.475 1.194 0.336 609 2HG1 ILE 75 2HG1 ILE 75 1.180 1.786 1.837 610 1HG2 ILE 75 1HG2 ILE 75 4.494 2.637 0.621 611 2HG2 ILE 75 2HG2 ILE 75 3.240 3.888 0.679 612 3HG2 ILE 75 3HG2 ILE 75 3.366 2.677 1.975 613 1HD1 ILE 75 1HD1 ILE 75 0.348 3.587 -0.487 614 2HD1 ILE 75 2HD1 ILE 75 -0.626 3.216 0.934 615 3HD1 ILE 75 3HD1 ILE 75 0.901 4.113 1.121 616 H SER 76 H SER 76 4.806 3.483 -1.600 617 HA SER 76 HA SER 76 6.162 0.958 -2.404 618 1HB SER 76 1HB SER 76 5.664 2.291 -4.449 619 2HB SER 76 2HB SER 76 6.615 3.623 -3.818 620 HG SER 76 HG SER 76 7.654 0.998 -4.158 621 H GLU 77 H GLU 77 8.404 1.022 -2.107 622 HA GLU 77 HA GLU 77 9.451 2.963 -0.115 623 1HB GLU 77 1HB GLU 77 8.639 0.805 0.932 624 2HB GLU 77 2HB GLU 77 9.898 -0.054 0.042 625 1HG GLU 77 1HG GLU 77 10.445 2.296 1.934 626 2HG GLU 77 2HG GLU 77 10.330 0.624 2.488 627 H ASP 78 H ASP 78 11.250 3.837 -0.991 628 HA ASP 78 HA ASP 78 12.536 2.669 -3.384 629 1HB ASP 78 1HB ASP 78 12.984 5.212 -1.764 630 2HB ASP 78 2HB ASP 78 13.886 4.776 -3.222 631 H TYR 79 H TYR 79 14.223 1.286 -3.153 632 HA TYR 79 HA TYR 79 14.993 0.317 -0.624 633 1HB TYR 79 1HB TYR 79 15.152 -1.094 -2.547 634 2HB TYR 79 2HB TYR 79 16.179 0.054 -3.400 635 HD1 TYR 79 HD1 TYR 79 16.283 -1.775 -0.090 636 HD2 TYR 79 HD2 TYR 79 18.418 -0.511 -3.619 637 HE1 TYR 79 HE1 TYR 79 18.324 -2.893 0.742 638 HE2 TYR 79 HE2 TYR 79 20.464 -1.611 -2.769 639 HH TYR 79 HH TYR 79 20.548 -3.368 0.338 640 H LYS 80 H LYS 80 16.949 2.279 -2.897 641 HA LYS 80 HA LYS 80 19.195 2.332 -1.124 642 1HB LYS 80 1HB LYS 80 19.252 2.539 -3.635 643 2HB LYS 80 2HB LYS 80 18.653 4.202 -3.469 644 1HG LYS 80 1HG LYS 80 20.658 4.747 -2.071 645 2HG LYS 80 2HG LYS 80 21.218 3.072 -2.251 646 1HD LYS 80 1HD LYS 80 21.243 3.401 -4.753 647 2HD LYS 80 2HD LYS 80 20.845 5.107 -4.502 648 1HE LYS 80 1HE LYS 80 23.335 3.656 -3.469 649 2HE LYS 80 2HE LYS 80 23.274 4.762 -4.850 650 1HZ LYS 80 1HZ LYS 80 22.610 6.503 -3.347 651 2HZ LYS 80 2HZ LYS 80 22.701 5.475 -2.060 652 3HZ LYS 80 3HZ LYS 80 24.061 5.858 -2.907 653 H THR 81 H THR 81 16.620 4.723 -1.894 654 HA THR 81 HA THR 81 17.611 6.799 -0.239 655 HB THR 81 HB THR 81 14.688 6.359 -0.864 656 HG1 THR 81 HG1 THR 81 16.664 7.080 -2.762 657 1HG2 THR 81 1HG2 THR 81 15.360 8.458 0.252 658 2HG2 THR 81 2HG2 THR 81 16.490 8.812 -1.072 659 3HG2 THR 81 3HG2 THR 81 14.742 8.759 -1.383 660 H ARG 82 H ARG 82 15.656 3.894 0.386 661 HA ARG 82 HA ARG 82 14.507 3.128 2.096 662 1HB ARG 82 1HB ARG 82 16.431 4.719 3.847 663 2HB ARG 82 2HB ARG 82 15.318 3.438 4.352 664 1HG ARG 82 1HG ARG 82 16.446 1.846 2.803 665 2HG ARG 82 2HG ARG 82 17.643 3.097 2.413 666 1HD ARG 82 1HD ARG 82 18.352 3.193 4.760 667 2HD ARG 82 2HD ARG 82 17.075 2.032 5.210 668 HE ARG 82 HE ARG 82 18.723 0.925 3.158 669 1HH1 ARG 82 1HH1 ARG 82 18.801 1.721 6.591 670 2HH1 ARG 82 2HH1 ARG 82 19.889 0.431 7.029 671 1HH2 ARG 82 1HH2 ARG 82 20.154 -0.767 3.693 672 2HH2 ARG 82 2HH2 ARG 82 20.682 -1.011 5.338 673 H GLY 83 H GLY 83 13.247 4.983 0.770 674 1HA GLY 83 1HA GLY 83 11.858 6.727 2.798 675 2HA GLY 83 2HA GLY 83 12.271 7.279 1.167 676 H ARG 84 H ARG 84 9.633 6.711 2.672 677 HA ARG 84 HA ARG 84 8.368 4.745 0.858 678 1HB ARG 84 1HB ARG 84 7.265 6.267 3.217 679 2HB ARG 84 2HB ARG 84 6.349 5.108 2.301 680 1HG ARG 84 1HG ARG 84 8.947 4.151 3.517 681 2HG ARG 84 2HG ARG 84 7.508 4.336 4.544 682 1HD ARG 84 1HD ARG 84 6.186 2.899 3.153 683 2HD ARG 84 2HD ARG 84 7.452 2.796 1.917 684 HE ARG 84 HE ARG 84 8.679 1.845 4.213 685 1HH1 ARG 84 1HH1 ARG 84 5.791 0.994 2.404 686 2HH1 ARG 84 2HH1 ARG 84 5.999 -0.722 2.580 687 1HH2 ARG 84 1HH2 ARG 84 9.047 -0.389 4.395 688 2HH2 ARG 84 2HH2 ARG 84 8.029 -1.501 3.511 689 H LYS 85 H LYS 85 6.165 5.417 0.185 690 HA LYS 85 HA LYS 85 5.398 8.074 -0.400 691 1HB LYS 85 1HB LYS 85 5.829 8.108 -2.822 692 2HB LYS 85 2HB LYS 85 7.336 8.023 -1.889 693 1HG LYS 85 1HG LYS 85 6.842 5.356 -2.267 694 2HG LYS 85 2HG LYS 85 6.100 6.015 -3.730 695 1HD LYS 85 1HD LYS 85 8.933 6.501 -2.704 696 2HD LYS 85 2HD LYS 85 8.495 5.341 -3.969 697 1HE LYS 85 1HE LYS 85 7.581 7.261 -5.349 698 2HE LYS 85 2HE LYS 85 8.179 8.383 -4.118 699 1HZ LYS 85 1HZ LYS 85 9.735 8.192 -5.863 700 2HZ LYS 85 2HZ LYS 85 10.383 7.493 -4.516 701 3HZ LYS 85 3HZ LYS 85 9.802 6.552 -5.728 702 H LEU 86 H LEU 86 3.312 8.178 -1.224 703 HA LEU 86 HA LEU 86 1.811 5.667 -1.611 704 1HB LEU 86 1HB LEU 86 0.797 7.615 -0.453 705 2HB LEU 86 2HB LEU 86 1.131 8.617 -1.875 706 HG LEU 86 HG LEU 86 -0.439 7.224 -3.230 707 1HD1 LEU 86 1HD1 LEU 86 -0.411 5.109 -2.046 708 2HD1 LEU 86 2HD1 LEU 86 -0.953 5.883 -0.535 709 3HD1 LEU 86 3HD1 LEU 86 -2.045 5.764 -1.926 710 1HD2 LEU 86 1HD2 LEU 86 -1.648 8.393 -0.692 711 2HD2 LEU 86 2HD2 LEU 86 -1.147 9.327 -2.120 712 3HD2 LEU 86 3HD2 LEU 86 -2.466 8.158 -2.251 713 H LEU 87 H LEU 87 1.732 4.723 -3.691 714 HA LEU 87 HA LEU 87 2.603 6.335 -6.042 715 1HB LEU 87 1HB LEU 87 1.758 3.435 -5.722 716 2HB LEU 87 2HB LEU 87 2.026 4.208 -7.281 717 HG LEU 87 HG LEU 87 4.155 3.988 -5.118 718 1HD1 LEU 87 1HD1 LEU 87 3.553 1.757 -5.882 719 2HD1 LEU 87 2HD1 LEU 87 3.565 2.279 -7.582 720 3HD1 LEU 87 3HD1 LEU 87 5.080 2.204 -6.671 721 1HD2 LEU 87 1HD2 LEU 87 4.293 4.751 -8.077 722 2HD2 LEU 87 2HD2 LEU 87 4.633 5.826 -6.700 723 3HD2 LEU 87 3HD2 LEU 87 5.701 4.462 -7.037 724 H ARG 88 H ARG 88 -0.264 4.415 -4.959 725 HA ARG 88 HA ARG 88 -2.047 6.353 -6.343 726 1HB ARG 88 1HB ARG 88 -1.804 3.388 -6.987 727 2HB ARG 88 2HB ARG 88 -3.249 4.338 -7.354 728 1HG ARG 88 1HG ARG 88 -2.137 5.722 -8.898 729 2HG ARG 88 2HG ARG 88 -0.524 5.214 -8.365 730 1HD ARG 88 1HD ARG 88 -2.507 3.348 -9.719 731 2HD ARG 88 2HD ARG 88 -1.212 4.258 -10.537 732 HE ARG 88 HE ARG 88 -0.324 2.656 -8.245 733 1HH1 ARG 88 1HH1 ARG 88 -0.830 2.611 -11.717 734 2HH1 ARG 88 2HH1 ARG 88 0.402 1.398 -12.024 735 1HH2 ARG 88 1HH2 ARG 88 1.180 1.083 -8.580 736 2HH2 ARG 88 2HH2 ARG 88 1.571 0.516 -10.202 737 H PHE 89 H PHE 89 -4.157 6.291 -5.621 738 HA PHE 89 HA PHE 89 -4.923 4.475 -3.416 739 1HB PHE 89 1HB PHE 89 -4.261 6.587 -2.350 740 2HB PHE 89 2HB PHE 89 -5.226 7.504 -3.500 741 HD1 PHE 89 HD1 PHE 89 -7.678 7.616 -3.311 742 HD2 PHE 89 HD2 PHE 89 -5.326 5.301 -0.524 743 HE1 PHE 89 HE1 PHE 89 -9.532 7.696 -1.668 744 HE2 PHE 89 HE2 PHE 89 -7.198 5.372 1.102 745 HZ PHE 89 HZ PHE 89 -9.292 6.595 0.541 746 H ASN 90 H ASN 90 -6.795 3.475 -4.165 747 HA ASN 90 HA ASN 90 -8.440 4.874 -6.224 748 1HB ASN 90 1HB ASN 90 -7.640 1.945 -6.169 749 2HB ASN 90 2HB ASN 90 -8.596 2.761 -7.391 750 1HD2 ASN 90 1HD2 ASN 90 -7.298 4.886 -8.295 751 2HD2 ASN 90 2HD2 ASN 90 -5.674 4.477 -8.814 752 H GLY 91 H GLY 91 -10.622 4.423 -6.071 753 1HA GLY 91 1HA GLY 91 -12.120 2.518 -5.300 754 2HA GLY 91 2HA GLY 91 -11.550 2.925 -3.673 755 HA PRO 92 HA PRO 92 -13.251 2.929 -2.249 756 1HB PRO 92 1HB PRO 92 -15.922 2.407 -1.909 757 2HB PRO 92 2HB PRO 92 -15.061 3.808 -1.215 758 1HG PRO 92 1HG PRO 92 -16.668 3.724 -3.788 759 2HG PRO 92 2HG PRO 92 -16.817 4.907 -2.453 760 1HD PRO 92 1HD PRO 92 -15.335 5.466 -4.659 761 2HD PRO 92 2HD PRO 92 -14.736 5.937 -3.044 762 H VAL 93 H VAL 93 -13.393 0.644 -2.292 763 HA VAL 93 HA VAL 93 -14.670 -0.691 -4.574 764 HB VAL 93 HB VAL 93 -12.500 -2.168 -4.664 765 1HG1 VAL 93 1HG1 VAL 93 -13.402 -1.005 -6.584 766 2HG1 VAL 93 2HG1 VAL 93 -12.650 0.514 -6.072 767 3HG1 VAL 93 3HG1 VAL 93 -11.637 -0.861 -6.550 768 1HG2 VAL 93 1HG2 VAL 93 -11.208 0.484 -3.895 769 2HG2 VAL 93 2HG2 VAL 93 -11.266 -0.953 -2.852 770 3HG2 VAL 93 3HG2 VAL 93 -10.399 -1.007 -4.393 771 HA PRO 94 HA PRO 94 -15.507 -3.274 -1.021 772 1HB PRO 94 1HB PRO 94 -16.678 -5.459 -2.243 773 2HB PRO 94 2HB PRO 94 -17.485 -3.864 -2.159 774 1HG PRO 94 1HG PRO 94 -15.839 -5.006 -4.435 775 2HG PRO 94 2HG PRO 94 -17.476 -4.293 -4.529 776 1HD PRO 94 1HD PRO 94 -15.225 -2.858 -5.083 777 2HD PRO 94 2HD PRO 94 -16.618 -2.097 -4.250 778 HA PRO 95 HA PRO 95 -12.065 -6.148 -1.045 779 1HB PRO 95 1HB PRO 95 -12.838 -8.193 0.611 780 2HB PRO 95 2HB PRO 95 -12.499 -6.544 1.215 781 1HG PRO 95 1HG PRO 95 -15.194 -7.742 0.509 782 2HG PRO 95 2HG PRO 95 -14.746 -6.876 2.009 783 1HD PRO 95 1HD PRO 95 -16.005 -5.641 -0.068 784 2HD PRO 95 2HD PRO 95 -14.780 -4.780 0.893 785 HA PRO 96 HA PRO 96 -13.171 -9.083 -4.244 786 1HB PRO 96 1HB PRO 96 -11.154 -10.929 -4.128 787 2HB PRO 96 2HB PRO 96 -10.901 -9.252 -4.694 788 1HG PRO 96 1HG PRO 96 -10.395 -10.352 -1.913 789 2HG PRO 96 2HG PRO 96 -9.281 -9.391 -2.929 790 1HD PRO 96 1HD PRO 96 -10.821 -8.234 -1.000 791 2HD PRO 96 2HD PRO 96 -10.543 -7.401 -2.559 Start of MODEL 10 1 1H GLY 1 1H GLY 1 8.524 -11.190 -10.440 2 2H GLY 1 2H GLY 1 7.420 -11.614 -9.286 3 3H GLY 1 3H GLY 1 8.534 -12.710 -9.803 4 1HA GLY 1 1HA GLY 1 10.331 -11.451 -8.911 5 2HA GLY 1 2HA GLY 1 9.168 -10.242 -8.345 6 H GLU 2 H GLU 2 7.473 -11.018 -6.864 7 HA GLU 2 HA GLU 2 7.355 -13.420 -5.491 8 1HB GLU 2 1HB GLU 2 9.606 -11.754 -4.555 9 2HB GLU 2 2HB GLU 2 8.447 -12.001 -3.262 10 1HG GLU 2 1HG GLU 2 9.625 -14.291 -4.870 11 2HG GLU 2 2HG GLU 2 10.213 -13.716 -3.307 12 H TRP 3 H TRP 3 5.243 -12.528 -6.202 13 HA TRP 3 HA TRP 3 4.073 -10.331 -4.648 14 1HB TRP 3 1HB TRP 3 3.023 -12.419 -6.576 15 2HB TRP 3 2HB TRP 3 1.921 -11.628 -5.464 16 HD1 TRP 3 HD1 TRP 3 2.843 -11.258 -8.855 17 HE1 TRP 3 HE1 TRP 3 2.354 -8.919 -9.744 18 HE3 TRP 3 HE3 TRP 3 2.274 -8.808 -4.400 19 HZ2 TRP 3 HZ2 TRP 3 1.790 -6.283 -8.660 20 HZ3 TRP 3 HZ3 TRP 3 1.768 -6.379 -4.357 21 HH2 TRP 3 HH2 TRP 3 1.516 -5.113 -6.475 22 H GLU 4 H GLU 4 3.613 -10.581 -2.475 23 HA GLU 4 HA GLU 4 2.300 -13.083 -1.688 24 1HB GLU 4 1HB GLU 4 4.703 -13.530 -1.306 25 2HB GLU 4 2HB GLU 4 4.808 -12.088 -0.275 26 1HG GLU 4 1HG GLU 4 4.730 -14.192 1.004 27 2HG GLU 4 2HG GLU 4 3.367 -13.156 1.394 28 H ILE 5 H ILE 5 1.171 -12.914 0.270 29 HA ILE 5 HA ILE 5 0.025 -10.275 0.778 30 HB ILE 5 HB ILE 5 -0.514 -12.852 2.214 31 1HG1 ILE 5 1HG1 ILE 5 -2.403 -11.921 0.079 32 2HG1 ILE 5 2HG1 ILE 5 -0.961 -12.775 -0.475 33 1HG2 ILE 5 1HG2 ILE 5 -1.384 -10.900 3.366 34 2HG2 ILE 5 2HG2 ILE 5 -2.202 -10.363 1.881 35 3HG2 ILE 5 3HG2 ILE 5 -2.717 -11.845 2.705 36 1HD1 ILE 5 1HD1 ILE 5 -1.464 -14.686 0.963 37 2HD1 ILE 5 2HD1 ILE 5 -2.935 -13.879 1.551 38 3HD1 ILE 5 3HD1 ILE 5 -2.794 -14.339 -0.158 39 H ILE 6 H ILE 6 0.421 -9.084 2.665 40 HA ILE 6 HA ILE 6 2.595 -10.086 4.474 41 HB ILE 6 HB ILE 6 2.941 -7.767 5.061 42 1HG1 ILE 6 1HG1 ILE 6 1.278 -6.876 2.691 43 2HG1 ILE 6 2HG1 ILE 6 0.563 -6.988 4.309 44 1HG2 ILE 6 1HG2 ILE 6 4.270 -8.906 3.291 45 2HG2 ILE 6 2HG2 ILE 6 3.156 -8.283 2.061 46 3HG2 ILE 6 3HG2 ILE 6 4.158 -7.166 3.008 47 1HD1 ILE 6 1HD1 ILE 6 2.257 -5.457 5.204 48 2HD1 ILE 6 2HD1 ILE 6 3.003 -5.321 3.598 49 3HD1 ILE 6 3HD1 ILE 6 1.358 -4.727 3.861 50 H ASP 7 H ASP 7 2.400 -9.667 6.753 51 HA ASP 7 HA ASP 7 -0.184 -10.309 7.816 52 1HB ASP 7 1HB ASP 7 2.268 -9.178 9.241 53 2HB ASP 7 2HB ASP 7 0.871 -9.930 9.999 54 H ILE 8 H ILE 8 -1.776 -8.894 8.457 55 HA ILE 8 HA ILE 8 -1.350 -6.017 8.537 56 HB ILE 8 HB ILE 8 -3.677 -6.136 9.418 57 1HG1 ILE 8 1HG1 ILE 8 -3.715 -9.068 8.626 58 2HG1 ILE 8 2HG1 ILE 8 -3.515 -8.524 10.302 59 1HG2 ILE 8 1HG2 ILE 8 -3.068 -7.474 6.739 60 2HG2 ILE 8 2HG2 ILE 8 -4.607 -6.726 7.150 61 3HG2 ILE 8 3HG2 ILE 8 -3.156 -5.730 7.048 62 1HD1 ILE 8 1HD1 ILE 8 -5.679 -7.307 10.150 63 2HD1 ILE 8 2HD1 ILE 8 -5.907 -7.945 8.507 64 3HD1 ILE 8 3HD1 ILE 8 -5.837 -9.053 9.883 65 H GLY 9 H GLY 9 -1.568 -4.824 10.610 66 1HA GLY 9 1HA GLY 9 -1.292 -5.494 13.180 67 2HA GLY 9 2HA GLY 9 0.264 -6.031 12.491 68 HA PRO 10 HA PRO 10 0.084 -1.455 13.647 69 1HB PRO 10 1HB PRO 10 2.567 -1.281 14.893 70 2HB PRO 10 2HB PRO 10 1.022 -1.696 15.685 71 1HG PRO 10 1HG PRO 10 3.139 -3.597 14.659 72 2HG PRO 10 2HG PRO 10 2.283 -3.640 16.227 73 1HD PRO 10 1HD PRO 10 1.504 -5.216 14.191 74 2HD PRO 10 2HD PRO 10 0.269 -4.409 15.197 75 H PHE 11 H PHE 11 3.027 -3.118 12.399 76 HA PHE 11 HA PHE 11 4.192 -0.967 11.063 77 1HB PHE 11 1HB PHE 11 5.291 -3.117 11.359 78 2HB PHE 11 2HB PHE 11 4.096 -3.924 10.351 79 HD1 PHE 11 HD1 PHE 11 6.912 -1.477 10.315 80 HD2 PHE 11 HD2 PHE 11 4.265 -3.928 7.941 81 HE1 PHE 11 HE1 PHE 11 8.339 -1.100 8.324 82 HE2 PHE 11 HE2 PHE 11 5.703 -3.562 5.966 83 HZ PHE 11 HZ PHE 11 7.750 -2.152 6.149 84 H THR 12 H THR 12 1.824 -3.356 9.761 85 HA THR 12 HA THR 12 1.735 -2.209 7.173 86 HB THR 12 HB THR 12 -0.162 -4.061 8.575 87 HG1 THR 12 HG1 THR 12 1.304 -5.595 7.726 88 1HG2 THR 12 1HG2 THR 12 -1.139 -3.285 6.453 89 2HG2 THR 12 2HG2 THR 12 0.403 -3.535 5.619 90 3HG2 THR 12 3HG2 THR 12 -0.520 -4.930 6.222 91 H GLN 13 H GLN 13 -0.283 -1.790 10.111 92 HA GLN 13 HA GLN 13 -2.193 0.033 9.010 93 1HB GLN 13 1HB GLN 13 -0.947 -0.371 11.764 94 2HB GLN 13 2HB GLN 13 -2.142 0.875 11.442 95 1HG GLN 13 1HG GLN 13 -3.799 -0.762 10.772 96 2HG GLN 13 2HG GLN 13 -2.631 -2.086 10.917 97 1HE2 GLN 13 1HE2 GLN 13 -5.178 -1.965 12.304 98 2HE2 GLN 13 2HE2 GLN 13 -4.801 -1.857 14.012 99 H ASN 14 H ASN 14 1.015 0.682 10.566 100 HA ASN 14 HA ASN 14 0.988 3.435 10.284 101 1HB ASN 14 1HB ASN 14 2.720 2.061 11.436 102 2HB ASN 14 2HB ASN 14 3.437 1.672 9.867 103 1HD2 ASN 14 1HD2 ASN 14 4.274 3.376 12.369 104 2HD2 ASN 14 2HD2 ASN 14 4.892 4.826 11.600 105 H LEU 15 H LEU 15 2.072 1.055 7.804 106 HA LEU 15 HA LEU 15 2.641 3.076 5.821 107 1HB LEU 15 1HB LEU 15 2.000 0.120 5.583 108 2HB LEU 15 2HB LEU 15 2.407 1.128 4.191 109 HG LEU 15 HG LEU 15 4.241 0.771 6.606 110 1HD1 LEU 15 1HD1 LEU 15 3.920 -1.358 5.426 111 2HD1 LEU 15 2HD1 LEU 15 4.280 -0.574 3.870 112 3HD1 LEU 15 3HD1 LEU 15 5.542 -0.713 5.111 113 1HD2 LEU 15 1HD2 LEU 15 4.684 1.986 3.833 114 2HD2 LEU 15 2HD2 LEU 15 4.757 2.855 5.381 115 3HD2 LEU 15 3HD2 LEU 15 5.973 1.642 5.001 116 H GLY 16 H GLY 16 -0.291 1.078 6.349 117 1HA GLY 16 1HA GLY 16 -1.844 2.190 4.206 118 2HA GLY 16 2HA GLY 16 -2.463 1.405 5.669 119 H LYS 17 H LYS 17 -0.937 3.455 7.303 120 HA LYS 17 HA LYS 17 -3.204 5.258 7.652 121 1HB LYS 17 1HB LYS 17 -1.719 4.059 9.476 122 2HB LYS 17 2HB LYS 17 -0.590 5.376 9.223 123 1HG LYS 17 1HG LYS 17 -3.490 5.492 10.113 124 2HG LYS 17 2HG LYS 17 -2.035 5.808 11.086 125 1HD LYS 17 1HD LYS 17 -1.493 7.679 9.426 126 2HD LYS 17 2HD LYS 17 -3.134 7.442 8.770 127 1HE LYS 17 1HE LYS 17 -4.106 7.907 11.015 128 2HE LYS 17 2HE LYS 17 -2.478 8.208 11.652 129 1HZ LYS 17 1HZ LYS 17 -2.270 10.011 10.102 130 2HZ LYS 17 2HZ LYS 17 -3.777 9.727 9.499 131 3HZ LYS 17 3HZ LYS 17 -3.593 10.225 11.059 132 H PHE 18 H PHE 18 0.287 5.441 7.205 133 HA PHE 18 HA PHE 18 0.716 8.083 6.424 134 1HB PHE 18 1HB PHE 18 2.569 6.628 6.789 135 2HB PHE 18 2HB PHE 18 1.956 5.419 5.686 136 HD1 PHE 18 HD1 PHE 18 2.390 5.446 3.336 137 HD2 PHE 18 HD2 PHE 18 3.601 8.748 5.840 138 HE1 PHE 18 HE1 PHE 18 3.891 6.263 1.539 139 HE2 PHE 18 HE2 PHE 18 5.115 9.547 4.042 140 HZ PHE 18 HZ PHE 18 5.296 8.280 1.925 141 H ALA 19 H ALA 19 -0.379 5.331 4.426 142 HA ALA 19 HA ALA 19 -0.550 6.714 1.963 143 1HB ALA 19 1HB ALA 19 -0.807 4.273 2.166 144 2HB ALA 19 2HB ALA 19 -2.367 4.487 2.979 145 3HB ALA 19 3HB ALA 19 -2.183 4.998 1.305 146 H VAL 20 H VAL 20 -3.058 6.270 4.456 147 HA VAL 20 HA VAL 20 -5.005 7.951 3.148 148 HB VAL 20 HB VAL 20 -4.752 7.054 6.032 149 1HG1 VAL 20 1HG1 VAL 20 -6.050 9.116 6.123 150 2HG1 VAL 20 2HG1 VAL 20 -6.963 8.664 4.667 151 3HG1 VAL 20 3HG1 VAL 20 -7.201 7.779 6.180 152 1HG2 VAL 20 1HG2 VAL 20 -6.656 6.304 3.753 153 2HG2 VAL 20 2HG2 VAL 20 -5.263 5.332 4.261 154 3HG2 VAL 20 3HG2 VAL 20 -6.635 5.574 5.364 155 H ASP 21 H ASP 21 -2.435 8.672 5.518 156 HA ASP 21 HA ASP 21 -3.225 11.324 6.109 157 1HB ASP 21 1HB ASP 21 -1.612 10.127 7.469 158 2HB ASP 21 2HB ASP 21 -0.481 9.998 6.120 159 H GLU 22 H GLU 22 -0.987 10.008 3.675 160 HA GLU 22 HA GLU 22 -0.293 12.432 2.380 161 1HB GLU 22 1HB GLU 22 0.724 10.052 2.197 162 2HB GLU 22 2HB GLU 22 -0.540 9.716 1.011 163 1HG GLU 22 1HG GLU 22 1.579 11.919 0.873 164 2HG GLU 22 2HG GLU 22 1.629 10.382 0.004 165 H GLU 23 H GLU 23 -2.886 10.019 1.732 166 HA GLU 23 HA GLU 23 -3.988 11.269 -0.530 167 1HB GLU 23 1HB GLU 23 -4.473 8.962 0.361 168 2HB GLU 23 2HB GLU 23 -5.527 9.689 1.584 169 1HG GLU 23 1HG GLU 23 -5.851 10.025 -1.433 170 2HG GLU 23 2HG GLU 23 -6.675 8.809 -0.446 171 H ASN 24 H ASN 24 -4.840 11.666 2.935 172 HA ASN 24 HA ASN 24 -6.886 13.603 2.665 173 1HB ASN 24 1HB ASN 24 -4.921 12.771 4.845 174 2HB ASN 24 2HB ASN 24 -5.977 14.150 5.045 175 1HD2 ASN 24 1HD2 ASN 24 -6.418 12.523 6.949 176 2HD2 ASN 24 2HD2 ASN 24 -7.846 11.530 6.675 177 H LYS 25 H LYS 25 -3.304 13.869 3.010 178 HA LYS 25 HA LYS 25 -3.300 16.685 3.276 179 1HB LYS 25 1HB LYS 25 -1.442 15.162 3.836 180 2HB LYS 25 2HB LYS 25 -1.090 14.939 2.112 181 1HG LYS 25 1HG LYS 25 -0.440 17.230 1.858 182 2HG LYS 25 2HG LYS 25 -1.203 17.701 3.389 183 1HD LYS 25 1HD LYS 25 0.416 16.367 4.667 184 2HD LYS 25 2HD LYS 25 1.205 15.838 3.169 185 1HE LYS 25 1HE LYS 25 1.864 18.144 2.652 186 2HE LYS 25 2HE LYS 25 0.935 18.762 4.031 187 1HZ LYS 25 1HZ LYS 25 2.383 17.580 5.489 188 2HZ LYS 25 2HZ LYS 25 3.249 16.970 4.225 189 3HZ LYS 25 3HZ LYS 25 3.254 18.592 4.524 190 H ILE 26 H ILE 26 -3.293 14.623 0.343 191 HA ILE 26 HA ILE 26 -3.301 16.899 -1.487 192 HB ILE 26 HB ILE 26 -4.300 14.047 -1.873 193 1HG1 ILE 26 1HG1 ILE 26 -1.706 15.415 -2.733 194 2HG1 ILE 26 2HG1 ILE 26 -1.856 14.265 -1.401 195 1HG2 ILE 26 1HG2 ILE 26 -5.384 15.648 -3.460 196 2HG2 ILE 26 2HG2 ILE 26 -3.779 16.233 -3.937 197 3HG2 ILE 26 3HG2 ILE 26 -4.284 14.564 -4.282 198 1HD1 ILE 26 1HD1 ILE 26 -2.651 12.523 -3.009 199 2HD1 ILE 26 2HD1 ILE 26 -2.291 13.647 -4.346 200 3HD1 ILE 26 3HD1 ILE 26 -0.993 13.086 -3.297 201 H GLY 27 H GLY 27 -5.820 14.883 0.045 202 1HA GLY 27 1HA GLY 27 -7.913 15.443 0.764 203 2HA GLY 27 2HA GLY 27 -7.775 17.053 0.046 204 H GLN 28 H GLN 28 -7.001 14.278 -1.952 205 HA GLN 28 HA GLN 28 -8.789 15.039 -3.987 206 1HB GLN 28 1HB GLN 28 -6.760 13.665 -4.304 207 2HB GLN 28 2HB GLN 28 -7.550 12.293 -3.513 208 1HG GLN 28 1HG GLN 28 -9.273 12.232 -5.280 209 2HG GLN 28 2HG GLN 28 -8.569 13.665 -6.043 210 1HE2 GLN 28 1HE2 GLN 28 -6.131 13.424 -6.631 211 2HE2 GLN 28 2HE2 GLN 28 -5.682 11.862 -7.296 212 H TYR 29 H TYR 29 -9.139 12.626 -1.408 213 HA TYR 29 HA TYR 29 -12.093 12.449 -1.986 214 1HB TYR 29 1HB TYR 29 -10.215 10.454 -0.682 215 2HB TYR 29 2HB TYR 29 -11.970 10.377 -0.642 216 HD1 TYR 29 HD1 TYR 29 -9.009 10.084 -2.879 217 HD2 TYR 29 HD2 TYR 29 -13.293 9.710 -2.552 218 HE1 TYR 29 HE1 TYR 29 -9.052 8.689 -4.932 219 HE2 TYR 29 HE2 TYR 29 -13.325 8.308 -4.593 220 HH TYR 29 HH TYR 29 -11.950 6.895 -5.866 221 H GLY 30 H GLY 30 -10.776 14.631 -0.665 222 1HA GLY 30 1HA GLY 30 -11.133 15.983 1.149 223 2HA GLY 30 2HA GLY 30 -12.501 14.936 1.566 224 H ARG 31 H ARG 31 -12.025 15.149 3.773 225 HA ARG 31 HA ARG 31 -9.446 14.172 4.866 226 1HB ARG 31 1HB ARG 31 -10.558 14.996 7.027 227 2HB ARG 31 2HB ARG 31 -9.977 16.188 5.861 228 1HG ARG 31 1HG ARG 31 -12.157 16.745 5.116 229 2HG ARG 31 2HG ARG 31 -12.887 15.320 5.883 230 1HD ARG 31 1HD ARG 31 -12.462 16.261 8.113 231 2HD ARG 31 2HD ARG 31 -11.516 17.573 7.405 232 HE ARG 31 HE ARG 31 -13.400 18.743 6.975 233 1HH1 ARG 31 1HH1 ARG 31 -14.350 15.369 7.410 234 2HH1 ARG 31 2HH1 ARG 31 -16.062 15.693 7.349 235 1HH2 ARG 31 1HH2 ARG 31 -15.623 19.186 6.897 236 2HH2 ARG 31 2HH2 ARG 31 -16.796 17.909 7.051 237 H LEU 32 H LEU 32 -9.716 11.919 4.375 238 HA LEU 32 HA LEU 32 -12.046 10.486 5.453 239 1HB LEU 32 1HB LEU 32 -9.406 9.470 4.342 240 2HB LEU 32 2HB LEU 32 -10.819 8.479 4.724 241 HG LEU 32 HG LEU 32 -10.708 10.638 2.573 242 1HD1 LEU 32 1HD1 LEU 32 -9.374 8.618 2.067 243 2HD1 LEU 32 2HD1 LEU 32 -10.790 7.595 2.390 244 3HD1 LEU 32 3HD1 LEU 32 -10.804 8.730 1.025 245 1HD2 LEU 32 1HD2 LEU 32 -12.923 8.677 3.357 246 2HD2 LEU 32 2HD2 LEU 32 -13.008 10.454 3.423 247 3HD2 LEU 32 3HD2 LEU 32 -12.902 9.636 1.864 248 H THR 33 H THR 33 -12.064 9.159 7.265 249 HA THR 33 HA THR 33 -9.904 9.636 9.277 250 HB THR 33 HB THR 33 -12.755 8.637 9.626 251 HG1 THR 33 HG1 THR 33 -12.394 10.891 8.953 252 1HG2 THR 33 1HG2 THR 33 -11.239 7.870 11.443 253 2HG2 THR 33 2HG2 THR 33 -10.645 9.533 11.648 254 3HG2 THR 33 3HG2 THR 33 -12.334 9.138 12.015 255 H PHE 34 H PHE 34 -8.366 8.091 8.670 256 HA PHE 34 HA PHE 34 -8.708 5.474 7.796 257 1HB PHE 34 1HB PHE 34 -6.566 6.351 7.902 258 2HB PHE 34 2HB PHE 34 -6.639 6.676 9.641 259 HD1 PHE 34 HD1 PHE 34 -6.416 4.792 11.274 260 HD2 PHE 34 HD2 PHE 34 -5.952 4.166 7.026 261 HE1 PHE 34 HE1 PHE 34 -5.053 2.776 11.711 262 HE2 PHE 34 HE2 PHE 34 -4.588 2.156 7.473 263 HZ PHE 34 HZ PHE 34 -4.071 1.499 9.810 264 H ASN 35 H ASN 35 -9.526 3.704 8.577 265 HA ASN 35 HA ASN 35 -10.402 3.549 11.455 266 1HB ASN 35 1HB ASN 35 -11.328 2.032 8.974 267 2HB ASN 35 2HB ASN 35 -11.637 1.503 10.618 268 1HD2 ASN 35 1HD2 ASN 35 -11.759 5.035 9.727 269 2HD2 ASN 35 2HD2 ASN 35 -13.483 5.087 10.045 270 H LYS 36 H LYS 36 -9.111 1.403 8.842 271 HA LYS 36 HA LYS 36 -6.765 0.627 10.158 272 1HB LYS 36 1HB LYS 36 -7.397 -1.749 10.744 273 2HB LYS 36 2HB LYS 36 -7.954 -0.512 11.848 274 1HG LYS 36 1HG LYS 36 -9.996 -1.015 9.802 275 2HG LYS 36 2HG LYS 36 -9.494 -2.533 10.534 276 1HD LYS 36 1HD LYS 36 -10.313 -0.085 12.162 277 2HD LYS 36 2HD LYS 36 -11.440 -1.356 11.670 278 1HE LYS 36 1HE LYS 36 -10.219 -3.038 12.935 279 2HE LYS 36 2HE LYS 36 -8.929 -1.891 13.330 280 1HZ LYS 36 1HZ LYS 36 -10.499 -0.596 14.544 281 2HZ LYS 36 2HZ LYS 36 -11.718 -1.648 14.190 282 3HZ LYS 36 3HZ LYS 36 -10.450 -2.137 15.121 283 H VAL 37 H VAL 37 -5.888 -1.455 9.016 284 HA VAL 37 HA VAL 37 -6.855 -1.534 6.206 285 HB VAL 37 HB VAL 37 -4.693 -0.498 6.519 286 1HG1 VAL 37 1HG1 VAL 37 -3.909 -1.654 8.582 287 2HG1 VAL 37 2HG1 VAL 37 -3.666 -3.140 7.640 288 3HG1 VAL 37 3HG1 VAL 37 -2.718 -1.687 7.281 289 1HG2 VAL 37 1HG2 VAL 37 -4.397 -3.236 5.213 290 2HG2 VAL 37 2HG2 VAL 37 -5.076 -1.782 4.450 291 3HG2 VAL 37 3HG2 VAL 37 -3.378 -1.807 4.947 292 H ILE 38 H ILE 38 -7.131 -3.528 5.243 293 HA ILE 38 HA ILE 38 -6.562 -5.921 6.825 294 HB ILE 38 HB ILE 38 -8.616 -6.900 6.917 295 1HG1 ILE 38 1HG1 ILE 38 -9.688 -6.487 4.858 296 2HG1 ILE 38 2HG1 ILE 38 -10.751 -5.981 6.158 297 1HG2 ILE 38 1HG2 ILE 38 -8.263 -5.314 8.708 298 2HG2 ILE 38 2HG2 ILE 38 -9.111 -4.042 7.800 299 3HG2 ILE 38 3HG2 ILE 38 -9.977 -5.491 8.332 300 1HD1 ILE 38 1HD1 ILE 38 -10.908 -4.383 4.414 301 2HD1 ILE 38 2HD1 ILE 38 -10.027 -3.581 5.727 302 3HD1 ILE 38 3HD1 ILE 38 -9.151 -4.197 4.302 303 H ARG 39 H ARG 39 -7.419 -7.896 5.427 304 HA ARG 39 HA ARG 39 -5.787 -7.967 3.132 305 1HB ARG 39 1HB ARG 39 -7.025 -10.163 2.710 306 2HB ARG 39 2HB ARG 39 -6.205 -10.008 4.267 307 1HG ARG 39 1HG ARG 39 -8.240 -9.708 5.457 308 2HG ARG 39 2HG ARG 39 -9.156 -9.315 3.990 309 1HD ARG 39 1HD ARG 39 -8.953 -11.590 3.194 310 2HD ARG 39 2HD ARG 39 -7.963 -12.045 4.604 311 HE ARG 39 HE ARG 39 -10.128 -11.044 5.833 312 1HH1 ARG 39 1HH1 ARG 39 -9.900 -13.425 3.222 313 2HH1 ARG 39 2HH1 ARG 39 -11.429 -14.172 3.595 314 1HH2 ARG 39 1HH2 ARG 39 -12.090 -12.035 6.345 315 2HH2 ARG 39 2HH2 ARG 39 -12.680 -13.387 5.419 316 HA PRO 40 HA PRO 40 -5.737 -9.163 1.039 317 1HB PRO 40 1HB PRO 40 -5.334 -8.387 -1.558 318 2HB PRO 40 2HB PRO 40 -6.514 -9.639 -1.069 319 1HG PRO 40 1HG PRO 40 -6.986 -6.728 -1.640 320 2HG PRO 40 2HG PRO 40 -7.931 -8.112 -2.252 321 1HD PRO 40 1HD PRO 40 -8.765 -6.657 -0.086 322 2HD PRO 40 2HD PRO 40 -8.995 -8.420 -0.149 323 H CYS 41 H CYS 41 -3.442 -8.526 0.695 324 HA CYS 41 HA CYS 41 -2.738 -5.762 0.944 325 1HB CYS 41 1HB CYS 41 -1.915 -6.081 3.245 326 2HB CYS 41 2HB CYS 41 -3.690 -6.047 3.110 327 HG CYS 41 HG CYS 41 -1.597 -8.552 3.593 328 H MET 42 H MET 42 -1.542 -6.377 -0.841 329 HA MET 42 HA MET 42 0.365 -8.646 -0.557 330 1HB MET 42 1HB MET 42 -0.923 -7.278 -2.916 331 2HB MET 42 2HB MET 42 0.562 -8.217 -3.074 332 1HG MET 42 1HG MET 42 -1.241 -9.626 -3.612 333 2HG MET 42 2HG MET 42 -0.504 -10.208 -2.123 334 1HE MET 42 1HE MET 42 -3.468 -10.924 -3.526 335 2HE MET 42 2HE MET 42 -2.660 -11.813 -2.218 336 3HE MET 42 3HE MET 42 -4.327 -11.225 -1.999 337 H LYS 43 H LYS 43 2.515 -8.426 -1.355 338 HA LYS 43 HA LYS 43 3.533 -5.704 -1.843 339 1HB LYS 43 1HB LYS 43 3.919 -6.218 0.557 340 2HB LYS 43 2HB LYS 43 4.690 -7.740 0.097 341 1HG LYS 43 1HG LYS 43 6.490 -6.312 -1.113 342 2HG LYS 43 2HG LYS 43 5.680 -4.900 -0.416 343 1HD LYS 43 1HD LYS 43 7.442 -5.394 1.094 344 2HD LYS 43 2HD LYS 43 5.994 -6.061 1.862 345 1HE LYS 43 1HE LYS 43 6.758 -8.294 0.542 346 2HE LYS 43 2HE LYS 43 8.321 -7.473 0.526 347 1HZ LYS 43 1HZ LYS 43 8.148 -7.327 2.928 348 2HZ LYS 43 2HZ LYS 43 6.696 -8.110 2.891 349 3HZ LYS 43 3HZ LYS 43 8.065 -8.890 2.411 350 H LYS 44 H LYS 44 5.349 -5.699 -3.247 351 HA LYS 44 HA LYS 44 6.631 -8.231 -3.927 352 1HB LYS 44 1HB LYS 44 4.773 -8.081 -5.575 353 2HB LYS 44 2HB LYS 44 5.437 -6.542 -6.159 354 1HG LYS 44 1HG LYS 44 7.581 -7.827 -6.731 355 2HG LYS 44 2HG LYS 44 6.789 -9.268 -6.107 356 1HD LYS 44 1HD LYS 44 6.627 -9.353 -8.503 357 2HD LYS 44 2HD LYS 44 5.021 -8.985 -7.876 358 1HE LYS 44 1HE LYS 44 5.501 -7.603 -9.829 359 2HE LYS 44 2HE LYS 44 5.400 -6.557 -8.412 360 1HZ LYS 44 1HZ LYS 44 7.879 -7.551 -9.648 361 2HZ LYS 44 2HZ LYS 44 7.265 -6.032 -9.799 362 3HZ LYS 44 3HZ LYS 44 7.815 -6.553 -8.338 363 H THR 45 H THR 45 8.764 -7.962 -4.459 364 HA THR 45 HA THR 45 10.176 -5.586 -4.081 365 HB THR 45 HB THR 45 10.956 -7.952 -5.835 366 HG1 THR 45 HG1 THR 45 11.549 -8.910 -3.794 367 1HG2 THR 45 1HG2 THR 45 12.646 -6.156 -5.687 368 2HG2 THR 45 2HG2 THR 45 12.554 -6.203 -3.912 369 3HG2 THR 45 3HG2 THR 45 13.186 -7.599 -4.813 370 H ILE 46 H ILE 46 10.968 -4.013 -5.443 371 HA ILE 46 HA ILE 46 10.292 -4.117 -8.326 372 HB ILE 46 HB ILE 46 9.413 -2.239 -6.416 373 1HG1 ILE 46 1HG1 ILE 46 8.374 -1.148 -8.400 374 2HG1 ILE 46 2HG1 ILE 46 9.273 -2.251 -9.450 375 1HG2 ILE 46 1HG2 ILE 46 11.487 -0.957 -6.612 376 2HG2 ILE 46 2HG2 ILE 46 11.318 -0.919 -8.387 377 3HG2 ILE 46 3HG2 ILE 46 10.145 -0.095 -7.347 378 1HD1 ILE 46 1HD1 ILE 46 8.061 -4.170 -8.465 379 2HD1 ILE 46 2HD1 ILE 46 7.310 -3.105 -7.260 380 3HD1 ILE 46 3HD1 ILE 46 6.902 -2.941 -8.980 381 H TYR 47 H TYR 47 11.938 -4.080 -9.649 382 HA TYR 47 HA TYR 47 14.704 -3.505 -8.686 383 1HB TYR 47 1HB TYR 47 13.630 -5.167 -11.001 384 2HB TYR 47 2HB TYR 47 15.327 -4.789 -10.752 385 HD1 TYR 47 HD1 TYR 47 16.697 -6.147 -9.388 386 HD2 TYR 47 HD2 TYR 47 12.407 -6.556 -9.183 387 HE1 TYR 47 HE1 TYR 47 16.951 -8.237 -8.080 388 HE2 TYR 47 HE2 TYR 47 12.667 -8.620 -7.853 389 HH TYR 47 HH TYR 47 14.154 -10.146 -6.949 390 H GLU 48 H GLU 48 16.074 -2.492 -10.407 391 HA GLU 48 HA GLU 48 14.511 -0.523 -12.037 392 1HB GLU 48 1HB GLU 48 16.298 0.188 -10.236 393 2HB GLU 48 2HB GLU 48 17.458 -0.204 -11.494 394 1HG GLU 48 1HG GLU 48 16.025 1.391 -13.021 395 2HG GLU 48 2HG GLU 48 15.106 1.770 -11.571 396 H ASN 49 H ASN 49 17.130 -0.157 -13.547 397 HA ASN 49 HA ASN 49 17.406 -2.497 -15.230 398 1HB ASN 49 1HB ASN 49 15.170 -1.833 -15.966 399 2HB ASN 49 2HB ASN 49 15.693 -0.163 -16.209 400 1HD2 ASN 49 1HD2 ASN 49 16.905 0.382 -18.119 401 2HD2 ASN 49 2HD2 ASN 49 17.161 -0.805 -19.385 402 H GLU 50 H GLU 50 17.610 1.078 -15.019 403 HA GLU 50 HA GLU 50 19.830 1.305 -16.846 404 1HB GLU 50 1HB GLU 50 18.705 3.246 -14.782 405 2HB GLU 50 2HB GLU 50 19.879 3.642 -16.042 406 1HG GLU 50 1HG GLU 50 18.249 3.018 -17.799 407 2HG GLU 50 2HG GLU 50 17.040 2.630 -16.563 408 H GLY 51 H GLY 51 20.907 -0.641 -15.469 409 1HA GLY 51 1HA GLY 51 23.351 0.162 -14.510 410 2HA GLY 51 2HA GLY 51 22.284 0.037 -13.081 411 H PHE 52 H PHE 52 23.705 -1.811 -12.593 412 HA PHE 52 HA PHE 52 23.227 -4.330 -14.074 413 1HB PHE 52 1HB PHE 52 25.399 -3.884 -12.908 414 2HB PHE 52 2HB PHE 52 24.543 -3.874 -11.367 415 HD1 PHE 52 HD1 PHE 52 25.225 -5.996 -14.402 416 HD2 PHE 52 HD2 PHE 52 24.169 -5.953 -10.212 417 HE1 PHE 52 HE1 PHE 52 25.326 -8.472 -14.343 418 HE2 PHE 52 HE2 PHE 52 24.280 -8.419 -10.164 419 HZ PHE 52 HZ PHE 52 24.854 -9.690 -12.227 420 H ARG 53 H ARG 53 22.298 -6.187 -12.649 421 HA ARG 53 HA ARG 53 19.631 -5.572 -11.850 422 1HB ARG 53 1HB ARG 53 20.191 -7.792 -12.566 423 2HB ARG 53 2HB ARG 53 21.434 -7.962 -11.311 424 1HG ARG 53 1HG ARG 53 19.773 -7.959 -9.543 425 2HG ARG 53 2HG ARG 53 18.470 -7.574 -10.681 426 1HD ARG 53 1HD ARG 53 20.169 -10.100 -10.835 427 2HD ARG 53 2HD ARG 53 18.656 -9.978 -9.910 428 HE ARG 53 HE ARG 53 18.175 -9.061 -12.554 429 1HH1 ARG 53 1HH1 ARG 53 18.879 -12.047 -10.813 430 2HH1 ARG 53 2HH1 ARG 53 17.918 -13.061 -11.856 431 1HH2 ARG 53 1HH2 ARG 53 16.900 -10.363 -13.928 432 2HH2 ARG 53 2HH2 ARG 53 16.778 -12.081 -13.669 433 H GLU 54 H GLU 54 19.112 -4.309 -10.131 434 HA GLU 54 HA GLU 54 20.023 -5.102 -7.519 435 1HB GLU 54 1HB GLU 54 20.340 -2.265 -8.604 436 2HB GLU 54 2HB GLU 54 20.141 -2.593 -6.876 437 1HG GLU 54 1HG GLU 54 22.145 -4.076 -6.921 438 2HG GLU 54 2HG GLU 54 22.395 -3.661 -8.625 439 H ILE 55 H ILE 55 18.492 -4.659 -5.950 440 HA ILE 55 HA ILE 55 15.726 -4.262 -6.825 441 HB ILE 55 HB ILE 55 17.052 -4.740 -4.130 442 1HG1 ILE 55 1HG1 ILE 55 15.187 -6.483 -5.804 443 2HG1 ILE 55 2HG1 ILE 55 16.947 -6.618 -5.844 444 1HG2 ILE 55 1HG2 ILE 55 15.065 -3.355 -3.745 445 2HG2 ILE 55 2HG2 ILE 55 14.098 -4.395 -4.808 446 3HG2 ILE 55 3HG2 ILE 55 14.713 -5.002 -3.256 447 1HD1 ILE 55 1HD1 ILE 55 16.997 -7.142 -3.431 448 2HD1 ILE 55 2HD1 ILE 55 15.219 -7.152 -3.404 449 3HD1 ILE 55 3HD1 ILE 55 16.094 -8.323 -4.399 450 H LYS 56 H LYS 56 14.743 -2.285 -6.818 451 HA LYS 56 HA LYS 56 16.291 0.088 -5.886 452 1HB LYS 56 1HB LYS 56 15.452 0.153 -8.137 453 2HB LYS 56 2HB LYS 56 13.802 -0.218 -7.616 454 1HG LYS 56 1HG LYS 56 13.587 1.903 -6.493 455 2HG LYS 56 2HG LYS 56 15.319 2.250 -6.652 456 1HD LYS 56 1HD LYS 56 15.142 2.374 -9.077 457 2HD LYS 56 2HD LYS 56 13.432 1.916 -9.036 458 1HE LYS 56 1HE LYS 56 14.610 4.443 -7.769 459 2HE LYS 56 2HE LYS 56 13.821 4.370 -9.353 460 1HZ LYS 56 1HZ LYS 56 11.836 3.584 -8.227 461 2HZ LYS 56 2HZ LYS 56 12.580 3.786 -6.762 462 3HZ LYS 56 3HZ LYS 56 12.293 5.086 -7.725 463 H GLY 57 H GLY 57 13.277 -1.799 -5.344 464 1HA GLY 57 1HA GLY 57 12.886 -0.734 -2.685 465 2HA GLY 57 2HA GLY 57 11.908 0.108 -3.922 466 H TYR 58 H TYR 58 10.061 -0.783 -2.727 467 HA TYR 58 HA TYR 58 9.233 -3.337 -3.914 468 1HB TYR 58 1HB TYR 58 8.568 -2.814 -1.035 469 2HB TYR 58 2HB TYR 58 8.554 -4.315 -1.922 470 HD1 TYR 58 HD1 TYR 58 10.501 -5.801 -1.863 471 HD2 TYR 58 HD2 TYR 58 10.770 -1.802 -0.283 472 HE1 TYR 58 HE1 TYR 58 12.889 -6.172 -1.313 473 HE2 TYR 58 HE2 TYR 58 13.139 -2.178 0.284 474 HH TYR 58 HH TYR 58 14.953 -3.615 0.089 475 H GLU 59 H GLU 59 6.978 -3.462 -3.992 476 HA GLU 59 HA GLU 59 5.447 -0.913 -3.708 477 1HB GLU 59 1HB GLU 59 5.631 -1.719 -6.042 478 2HB GLU 59 2HB GLU 59 4.921 -3.274 -5.563 479 1HG GLU 59 1HG GLU 59 2.821 -2.131 -4.921 480 2HG GLU 59 2HG GLU 59 3.549 -0.555 -5.272 481 H TYR 60 H TYR 60 3.424 -1.103 -2.617 482 HA TYR 60 HA TYR 60 2.814 -3.633 -1.182 483 1HB TYR 60 1HB TYR 60 2.942 -0.803 -0.065 484 2HB TYR 60 2HB TYR 60 2.196 -2.169 0.751 485 HD1 TYR 60 HD1 TYR 60 3.480 -3.533 2.185 486 HD2 TYR 60 HD2 TYR 60 5.472 -0.892 -0.577 487 HE1 TYR 60 HE1 TYR 60 5.620 -3.919 3.364 488 HE2 TYR 60 HE2 TYR 60 7.623 -1.350 0.551 489 HH TYR 60 HH TYR 60 7.890 -3.469 3.411 490 H GLN 61 H GLN 61 0.563 -3.947 -1.228 491 HA GLN 61 HA GLN 61 -1.132 -1.813 -2.443 492 1HB GLN 61 1HB GLN 61 0.027 -3.423 -4.068 493 2HB GLN 61 2HB GLN 61 -1.031 -4.689 -3.439 494 1HG GLN 61 1HG GLN 61 -2.991 -3.474 -4.189 495 2HG GLN 61 2HG GLN 61 -2.039 -2.027 -4.567 496 1HE2 GLN 61 1HE2 GLN 61 -0.270 -2.258 -6.222 497 2HE2 GLN 61 2HE2 GLN 61 -0.547 -3.364 -7.554 498 H LEU 62 H LEU 62 -2.505 -1.471 -0.760 499 HA LEU 62 HA LEU 62 -3.357 -3.793 0.925 500 1HB LEU 62 1HB LEU 62 -2.952 -0.954 1.852 501 2HB LEU 62 2HB LEU 62 -3.080 -2.434 2.810 502 HG LEU 62 HG LEU 62 -0.719 -1.637 1.038 503 1HD1 LEU 62 1HD1 LEU 62 -0.980 -0.208 3.032 504 2HD1 LEU 62 2HD1 LEU 62 -1.011 -1.649 4.068 505 3HD1 LEU 62 3HD1 LEU 62 0.455 -1.243 3.151 506 1HD2 LEU 62 1HD2 LEU 62 -0.978 -3.933 3.030 507 2HD2 LEU 62 2HD2 LEU 62 -0.953 -4.127 1.264 508 3HD2 LEU 62 3HD2 LEU 62 0.469 -3.497 2.094 509 H TYR 63 H TYR 63 -5.553 -3.991 1.403 510 HA TYR 63 HA TYR 63 -7.351 -1.883 0.410 511 1HB TYR 63 1HB TYR 63 -7.626 -4.704 1.343 512 2HB TYR 63 2HB TYR 63 -8.973 -3.614 1.519 513 HD1 TYR 63 HD1 TYR 63 -10.546 -3.687 -0.230 514 HD2 TYR 63 HD2 TYR 63 -6.377 -4.277 -1.155 515 HE1 TYR 63 HE1 TYR 63 -11.107 -3.882 -2.629 516 HE2 TYR 63 HE2 TYR 63 -6.947 -4.533 -3.538 517 HH TYR 63 HH TYR 63 -8.612 -4.563 -5.106 518 H VAL 64 H VAL 64 -7.366 -0.119 1.591 519 HA VAL 64 HA VAL 64 -7.090 -0.215 4.539 520 HB VAL 64 HB VAL 64 -6.874 2.131 2.627 521 1HG1 VAL 64 1HG1 VAL 64 -6.390 1.809 5.626 522 2HG1 VAL 64 2HG1 VAL 64 -5.819 3.189 4.677 523 3HG1 VAL 64 3HG1 VAL 64 -7.557 2.894 4.838 524 1HG2 VAL 64 1HG2 VAL 64 -4.692 0.571 4.085 525 2HG2 VAL 64 2HG2 VAL 64 -4.992 0.526 2.335 526 3HG2 VAL 64 3HG2 VAL 64 -4.459 2.027 3.101 527 H TYR 65 H TYR 65 -8.770 0.280 5.839 528 HA TYR 65 HA TYR 65 -11.340 1.106 4.643 529 1HB TYR 65 1HB TYR 65 -10.998 -1.044 6.068 530 2HB TYR 65 2HB TYR 65 -10.858 0.040 7.446 531 HD1 TYR 65 HD1 TYR 65 -13.106 -0.222 4.429 532 HD2 TYR 65 HD2 TYR 65 -12.858 -0.185 8.725 533 HE1 TYR 65 HE1 TYR 65 -15.562 -0.374 4.559 534 HE2 TYR 65 HE2 TYR 65 -15.322 -0.428 8.855 535 HH TYR 65 HH TYR 65 -17.304 0.236 6.077 536 H ALA 66 H ALA 66 -11.964 3.180 4.930 537 HA ALA 66 HA ALA 66 -11.040 4.722 7.267 538 1HB ALA 66 1HB ALA 66 -9.310 5.067 5.481 539 2HB ALA 66 2HB ALA 66 -10.589 5.641 4.391 540 3HB ALA 66 3HB ALA 66 -10.204 6.548 5.874 541 H SER 67 H SER 67 -12.596 6.121 7.932 542 HA SER 67 HA SER 67 -14.724 6.874 8.229 543 1HB SER 67 1HB SER 67 -14.009 8.455 6.418 544 2HB SER 67 2HB SER 67 -14.699 7.348 5.212 545 HG SER 67 HG SER 67 -16.696 7.577 6.369 546 H ASP 68 H ASP 68 -14.380 4.050 7.861 547 HA ASP 68 HA ASP 68 -15.407 2.147 7.482 548 1HB ASP 68 1HB ASP 68 -17.964 3.791 7.558 549 2HB ASP 68 2HB ASP 68 -17.861 2.038 7.691 550 H LYS 69 H LYS 69 -14.587 3.757 5.056 551 HA LYS 69 HA LYS 69 -16.175 2.284 3.002 552 1HB LYS 69 1HB LYS 69 -14.541 4.819 2.642 553 2HB LYS 69 2HB LYS 69 -15.575 4.016 1.441 554 1HG LYS 69 1HG LYS 69 -17.535 4.490 3.031 555 2HG LYS 69 2HG LYS 69 -16.400 5.481 3.969 556 1HD LYS 69 1HD LYS 69 -15.898 6.755 1.796 557 2HD LYS 69 2HD LYS 69 -17.323 5.951 1.114 558 1HE LYS 69 1HE LYS 69 -17.203 7.803 3.549 559 2HE LYS 69 2HE LYS 69 -17.948 8.155 1.981 560 1HZ LYS 69 1HZ LYS 69 -19.519 6.387 2.424 561 2HZ LYS 69 2HZ LYS 69 -18.827 6.111 3.897 562 3HZ LYS 69 3HZ LYS 69 -19.572 7.546 3.595 563 H LEU 70 H LEU 70 -14.881 1.113 1.498 564 HA LEU 70 HA LEU 70 -12.153 0.543 2.502 565 1HB LEU 70 1HB LEU 70 -13.955 -1.219 2.519 566 2HB LEU 70 2HB LEU 70 -14.039 -1.088 0.773 567 HG LEU 70 HG LEU 70 -11.632 -1.819 0.646 568 1HD1 LEU 70 1HD1 LEU 70 -10.796 -1.129 2.858 569 2HD1 LEU 70 2HD1 LEU 70 -11.974 -2.191 3.664 570 3HD1 LEU 70 3HD1 LEU 70 -10.657 -2.870 2.701 571 1HD2 LEU 70 1HD2 LEU 70 -13.567 -3.615 2.183 572 2HD2 LEU 70 2HD2 LEU 70 -13.427 -3.459 0.417 573 3HD2 LEU 70 3HD2 LEU 70 -12.117 -4.196 1.353 574 H PHE 71 H PHE 71 -10.392 0.974 1.285 575 HA PHE 71 HA PHE 71 -10.694 1.665 -1.610 576 1HB PHE 71 1HB PHE 71 -9.440 3.224 0.672 577 2HB PHE 71 2HB PHE 71 -8.877 3.417 -0.976 578 HD1 PHE 71 HD1 PHE 71 -11.888 3.854 1.209 579 HD2 PHE 71 HD2 PHE 71 -9.963 4.782 -2.536 580 HE1 PHE 71 HE1 PHE 71 -13.534 5.671 0.790 581 HE2 PHE 71 HE2 PHE 71 -11.618 6.541 -2.958 582 HZ PHE 71 HZ PHE 71 -13.406 7.018 -1.288 583 H ARG 72 H ARG 72 -8.843 1.286 -2.841 584 HA ARG 72 HA ARG 72 -6.901 -0.664 -1.720 585 1HB ARG 72 1HB ARG 72 -8.209 -1.236 -3.733 586 2HB ARG 72 2HB ARG 72 -7.482 0.132 -4.596 587 1HG ARG 72 1HG ARG 72 -5.216 -0.905 -4.260 588 2HG ARG 72 2HG ARG 72 -5.989 -2.229 -3.370 589 1HD ARG 72 1HD ARG 72 -7.462 -2.527 -5.498 590 2HD ARG 72 2HD ARG 72 -6.256 -1.508 -6.313 591 HE ARG 72 HE ARG 72 -4.843 -3.524 -4.975 592 1HH1 ARG 72 1HH1 ARG 72 -7.279 -3.332 -7.526 593 2HH1 ARG 72 2HH1 ARG 72 -6.802 -4.823 -8.292 594 1HH2 ARG 72 1HH2 ARG 72 -4.005 -5.298 -6.230 595 2HH2 ARG 72 2HH2 ARG 72 -5.035 -6.070 -7.399 596 H ALA 73 H ALA 73 -5.094 0.280 -0.941 597 HA ALA 73 HA ALA 73 -4.128 2.896 -2.015 598 1HB ALA 73 1HB ALA 73 -4.678 2.770 0.420 599 2HB ALA 73 2HB ALA 73 -3.489 1.465 0.595 600 3HB ALA 73 3HB ALA 73 -2.960 3.086 0.096 601 H ASP 74 H ASP 74 -2.397 2.729 -3.371 602 HA ASP 74 HA ASP 74 -0.589 0.334 -3.121 603 1HB ASP 74 1HB ASP 74 -1.803 0.519 -5.251 604 2HB ASP 74 2HB ASP 74 -1.048 2.093 -5.548 605 H ILE 75 H ILE 75 1.288 0.737 -2.314 606 HA ILE 75 HA ILE 75 2.352 3.509 -2.116 607 HB ILE 75 HB ILE 75 2.515 1.374 0.038 608 1HG1 ILE 75 1HG1 ILE 75 1.141 3.372 1.227 609 2HG1 ILE 75 2HG1 ILE 75 0.543 3.592 -0.420 610 1HG2 ILE 75 1HG2 ILE 75 4.443 2.849 0.121 611 2HG2 ILE 75 2HG2 ILE 75 3.388 4.281 0.019 612 3HG2 ILE 75 3HG2 ILE 75 3.364 3.229 1.448 613 1HD1 ILE 75 1HD1 ILE 75 -0.144 1.154 -0.410 614 2HD1 ILE 75 2HD1 ILE 75 0.495 1.027 1.238 615 3HD1 ILE 75 3HD1 ILE 75 -0.893 2.080 0.902 616 H SER 76 H SER 76 4.672 3.604 -2.062 617 HA SER 76 HA SER 76 6.101 1.122 -2.899 618 1HB SER 76 1HB SER 76 7.610 2.680 -4.218 619 2HB SER 76 2HB SER 76 6.020 2.379 -4.910 620 HG SER 76 HG SER 76 5.495 4.454 -3.588 621 H GLU 77 H GLU 77 8.106 0.894 -1.944 622 HA GLU 77 HA GLU 77 9.091 3.021 -0.109 623 1HB GLU 77 1HB GLU 77 8.212 1.035 1.146 624 2HB GLU 77 2HB GLU 77 9.373 0.016 0.285 625 1HG GLU 77 1HG GLU 77 10.541 2.415 1.672 626 2HG GLU 77 2HG GLU 77 9.810 1.199 2.718 627 H ASP 78 H ASP 78 11.063 3.732 -0.777 628 HA ASP 78 HA ASP 78 12.482 2.196 -2.894 629 1HB ASP 78 1HB ASP 78 11.894 4.641 -3.226 630 2HB ASP 78 2HB ASP 78 13.077 5.015 -1.959 631 H TYR 79 H TYR 79 14.182 1.002 -2.277 632 HA TYR 79 HA TYR 79 14.864 0.769 0.487 633 1HB TYR 79 1HB TYR 79 14.901 -1.064 -1.213 634 2HB TYR 79 2HB TYR 79 16.288 -0.300 -1.982 635 HD1 TYR 79 HD1 TYR 79 15.176 -1.425 1.456 636 HD2 TYR 79 HD2 TYR 79 18.409 -1.161 -1.391 637 HE1 TYR 79 HE1 TYR 79 16.639 -2.711 2.989 638 HE2 TYR 79 HE2 TYR 79 19.871 -2.414 0.156 639 HH TYR 79 HH TYR 79 20.038 -3.469 2.202 640 H LYS 80 H LYS 80 16.161 2.706 -2.147 641 HA LYS 80 HA LYS 80 18.803 2.952 -1.183 642 1HB LYS 80 1HB LYS 80 17.914 3.398 -3.500 643 2HB LYS 80 2HB LYS 80 17.277 4.945 -2.913 644 1HG LYS 80 1HG LYS 80 19.484 5.765 -2.414 645 2HG LYS 80 2HG LYS 80 20.229 4.192 -2.730 646 1HD LYS 80 1HD LYS 80 18.685 5.767 -4.844 647 2HD LYS 80 2HD LYS 80 20.422 5.973 -4.563 648 1HE LYS 80 1HE LYS 80 20.823 3.579 -5.048 649 2HE LYS 80 2HE LYS 80 19.096 3.333 -5.361 650 1HZ LYS 80 1HZ LYS 80 19.241 4.885 -7.146 651 2HZ LYS 80 2HZ LYS 80 20.845 5.138 -6.862 652 3HZ LYS 80 3HZ LYS 80 20.319 3.657 -7.356 653 H THR 81 H THR 81 15.900 4.467 -0.012 654 HA THR 81 HA THR 81 17.623 5.675 2.066 655 HB THR 81 HB THR 81 15.443 7.400 0.847 656 HG1 THR 81 HG1 THR 81 18.106 7.001 0.045 657 1HG2 THR 81 1HG2 THR 81 16.275 8.156 3.059 658 2HG2 THR 81 2HG2 THR 81 17.949 8.040 2.479 659 3HG2 THR 81 3HG2 THR 81 16.840 9.237 1.783 660 H ARG 82 H ARG 82 15.285 3.541 1.465 661 HA ARG 82 HA ARG 82 13.518 2.693 2.554 662 1HB ARG 82 1HB ARG 82 15.400 2.551 4.295 663 2HB ARG 82 2HB ARG 82 14.630 3.929 5.100 664 1HG ARG 82 1HG ARG 82 12.515 2.558 5.287 665 2HG ARG 82 2HG ARG 82 13.358 1.218 4.503 666 1HD ARG 82 1HD ARG 82 15.058 1.278 6.400 667 2HD ARG 82 2HD ARG 82 14.111 2.568 7.137 668 HE ARG 82 HE ARG 82 12.668 1.030 7.979 669 1HH1 ARG 82 1HH1 ARG 82 14.406 -0.473 5.303 670 2HH1 ARG 82 2HH1 ARG 82 13.804 -2.079 5.613 671 1HH2 ARG 82 1HH2 ARG 82 11.845 -1.059 8.394 672 2HH2 ARG 82 2HH2 ARG 82 12.309 -2.409 7.396 673 H GLY 83 H GLY 83 12.996 5.028 1.245 674 1HA GLY 83 1HA GLY 83 11.193 6.652 3.032 675 2HA GLY 83 2HA GLY 83 11.972 7.244 1.561 676 H ARG 84 H ARG 84 9.004 6.698 2.428 677 HA ARG 84 HA ARG 84 8.287 4.985 0.125 678 1HB ARG 84 1HB ARG 84 6.568 5.715 2.502 679 2HB ARG 84 2HB ARG 84 6.188 4.554 1.258 680 1HG ARG 84 1HG ARG 84 6.750 3.147 2.925 681 2HG ARG 84 2HG ARG 84 8.278 3.258 2.042 682 1HD ARG 84 1HD ARG 84 9.147 4.814 3.765 683 2HD ARG 84 2HD ARG 84 7.576 4.763 4.603 684 HE ARG 84 HE ARG 84 8.389 2.116 4.351 685 1HH1 ARG 84 1HH1 ARG 84 9.694 5.033 5.846 686 2HH1 ARG 84 2HH1 ARG 84 10.634 4.183 7.036 687 1HH2 ARG 84 1HH2 ARG 84 9.663 0.977 5.860 688 2HH2 ARG 84 2HH2 ARG 84 10.633 1.832 7.026 689 H LYS 85 H LYS 85 6.311 5.461 -0.901 690 HA LYS 85 HA LYS 85 4.982 7.938 -0.468 691 1HB LYS 85 1HB LYS 85 5.330 9.077 -2.533 692 2HB LYS 85 2HB LYS 85 6.887 8.762 -1.782 693 1HG LYS 85 1HG LYS 85 7.319 8.348 -3.981 694 2HG LYS 85 2HG LYS 85 7.078 6.712 -3.358 695 1HD LYS 85 1HD LYS 85 4.910 6.557 -4.420 696 2HD LYS 85 2HD LYS 85 4.788 8.311 -4.591 697 1HE LYS 85 1HE LYS 85 5.229 7.325 -6.754 698 2HE LYS 85 2HE LYS 85 6.638 8.265 -6.268 699 1HZ LYS 85 1HZ LYS 85 7.726 6.272 -5.630 700 2HZ LYS 85 2HZ LYS 85 6.389 5.357 -5.886 701 3HZ LYS 85 3HZ LYS 85 7.163 6.068 -7.167 702 H LEU 86 H LEU 86 2.990 8.114 -1.481 703 HA LEU 86 HA LEU 86 1.688 5.580 -2.075 704 1HB LEU 86 1HB LEU 86 0.654 7.349 -0.693 705 2HB LEU 86 2HB LEU 86 0.691 8.444 -2.070 706 HG LEU 86 HG LEU 86 -0.632 6.060 -2.986 707 1HD1 LEU 86 1HD1 LEU 86 -0.936 5.462 -0.620 708 2HD1 LEU 86 2HD1 LEU 86 -1.767 7.013 -0.342 709 3HD1 LEU 86 3HD1 LEU 86 -2.469 5.803 -1.440 710 1HD2 LEU 86 1HD2 LEU 86 -1.771 8.765 -2.178 711 2HD2 LEU 86 2HD2 LEU 86 -1.069 8.365 -3.762 712 3HD2 LEU 86 3HD2 LEU 86 -2.558 7.569 -3.221 713 H LEU 87 H LEU 87 1.139 4.850 -4.123 714 HA LEU 87 HA LEU 87 1.847 6.455 -6.522 715 1HB LEU 87 1HB LEU 87 0.594 3.687 -6.193 716 2HB LEU 87 2HB LEU 87 0.862 4.495 -7.729 717 HG LEU 87 HG LEU 87 2.523 2.873 -7.456 718 1HD1 LEU 87 1HD1 LEU 87 3.219 5.022 -8.494 719 2HD1 LEU 87 2HD1 LEU 87 3.868 5.534 -6.919 720 3HD1 LEU 87 3HD1 LEU 87 4.558 4.128 -7.745 721 1HD2 LEU 87 1HD2 LEU 87 3.555 4.154 -4.904 722 2HD2 LEU 87 2HD2 LEU 87 2.435 2.774 -4.924 723 3HD2 LEU 87 3HD2 LEU 87 4.019 2.623 -5.678 724 H ARG 88 H ARG 88 -1.073 4.726 -5.272 725 HA ARG 88 HA ARG 88 -2.773 7.029 -5.789 726 1HB ARG 88 1HB ARG 88 -3.023 4.471 -7.459 727 2HB ARG 88 2HB ARG 88 -4.347 5.587 -7.159 728 1HG ARG 88 1HG ARG 88 -3.770 6.501 -9.085 729 2HG ARG 88 2HG ARG 88 -2.656 7.419 -8.081 730 1HD ARG 88 1HD ARG 88 -1.434 6.652 -10.015 731 2HD ARG 88 2HD ARG 88 -0.867 5.708 -8.661 732 HE ARG 88 HE ARG 88 -1.716 3.788 -9.558 733 1HH1 ARG 88 1HH1 ARG 88 -3.125 6.534 -11.269 734 2HH1 ARG 88 2HH1 ARG 88 -3.713 5.589 -12.611 735 1HH2 ARG 88 1HH2 ARG 88 -2.475 2.532 -11.298 736 2HH2 ARG 88 2HH2 ARG 88 -3.358 3.265 -12.609 737 H PHE 89 H PHE 89 -4.935 6.636 -5.080 738 HA PHE 89 HA PHE 89 -5.313 4.493 -3.043 739 1HB PHE 89 1HB PHE 89 -4.695 6.710 -2.028 740 2HB PHE 89 2HB PHE 89 -6.081 7.432 -2.822 741 HD1 PHE 89 HD1 PHE 89 -8.346 7.098 -1.938 742 HD2 PHE 89 HD2 PHE 89 -4.956 5.089 -0.181 743 HE1 PHE 89 HE1 PHE 89 -9.636 6.725 0.133 744 HE2 PHE 89 HE2 PHE 89 -6.293 4.629 1.859 745 HZ PHE 89 HZ PHE 89 -8.619 5.506 2.044 746 H ASN 90 H ASN 90 -6.523 3.308 -4.638 747 HA ASN 90 HA ASN 90 -8.532 4.789 -6.246 748 1HB ASN 90 1HB ASN 90 -7.800 1.852 -6.246 749 2HB ASN 90 2HB ASN 90 -8.850 2.663 -7.399 750 1HD2 ASN 90 1HD2 ASN 90 -6.565 1.162 -8.214 751 2HD2 ASN 90 2HD2 ASN 90 -5.443 2.305 -8.935 752 H GLY 91 H GLY 91 -10.738 4.415 -6.072 753 1HA GLY 91 1HA GLY 91 -12.253 2.492 -5.292 754 2HA GLY 91 2HA GLY 91 -11.686 2.939 -3.670 755 HA PRO 92 HA PRO 92 -13.374 2.959 -2.251 756 1HB PRO 92 1HB PRO 92 -16.036 2.426 -1.883 757 2HB PRO 92 2HB PRO 92 -15.189 3.848 -1.220 758 1HG PRO 92 1HG PRO 92 -16.809 3.686 -3.782 759 2HG PRO 92 2HG PRO 92 -16.955 4.906 -2.480 760 1HD PRO 92 1HD PRO 92 -15.500 5.401 -4.725 761 2HD PRO 92 2HD PRO 92 -14.898 5.945 -3.134 762 H VAL 93 H VAL 93 -13.514 0.672 -2.240 763 HA VAL 93 HA VAL 93 -14.741 -0.697 -4.552 764 HB VAL 93 HB VAL 93 -12.670 -2.283 -4.391 765 1HG1 VAL 93 1HG1 VAL 93 -13.344 -1.134 -6.422 766 2HG1 VAL 93 2HG1 VAL 93 -12.558 0.360 -5.882 767 3HG1 VAL 93 3HG1 VAL 93 -11.582 -1.077 -6.241 768 1HG2 VAL 93 1HG2 VAL 93 -11.302 0.337 -3.632 769 2HG2 VAL 93 2HG2 VAL 93 -11.518 -1.041 -2.527 770 3HG2 VAL 93 3HG2 VAL 93 -10.543 -1.220 -3.993 771 HA PRO 94 HA PRO 94 -16.073 -2.915 -0.899 772 1HB PRO 94 1HB PRO 94 -17.672 -4.835 -2.045 773 2HB PRO 94 2HB PRO 94 -18.118 -3.102 -2.048 774 1HG PRO 94 1HG PRO 94 -16.747 -4.677 -4.245 775 2HG PRO 94 2HG PRO 94 -18.186 -3.626 -4.395 776 1HD PRO 94 1HD PRO 94 -15.648 -2.763 -4.960 777 2HD PRO 94 2HD PRO 94 -16.863 -1.665 -4.233 778 HA PRO 95 HA PRO 95 -13.308 -6.453 -0.814 779 1HB PRO 95 1HB PRO 95 -14.471 -8.190 0.960 780 2HB PRO 95 2HB PRO 95 -13.777 -6.621 1.469 781 1HG PRO 95 1HG PRO 95 -16.678 -7.245 0.840 782 2HG PRO 95 2HG PRO 95 -16.031 -6.430 2.295 783 1HD PRO 95 1HD PRO 95 -17.022 -5.040 0.171 784 2HD PRO 95 2HD PRO 95 -15.614 -4.433 1.081 785 HA PRO 96 HA PRO 96 -15.104 -9.263 -3.812 786 1HB PRO 96 1HB PRO 96 -13.543 -11.501 -3.590 787 2HB PRO 96 2HB PRO 96 -12.938 -9.960 -4.266 788 1HG PRO 96 1HG PRO 96 -12.629 -10.971 -1.423 789 2HG PRO 96 2HG PRO 96 -11.348 -10.344 -2.501 790 1HD PRO 96 1HD PRO 96 -12.550 -8.761 -0.645 791 2HD PRO 96 2HD PRO 96 -12.133 -8.107 -2.258 Start of MODEL 11 1 1H GLY 1 1H GLY 1 8.588 -15.715 -5.849 2 2H GLY 1 2H GLY 1 10.202 -15.399 -5.754 3 3H GLY 1 3H GLY 1 9.601 -16.807 -5.143 4 1HA GLY 1 1HA GLY 1 8.375 -15.631 -3.464 5 2HA GLY 1 2HA GLY 1 10.117 -15.317 -3.371 6 H GLU 2 H GLU 2 7.264 -14.042 -5.189 7 HA GLU 2 HA GLU 2 7.718 -11.315 -4.261 8 1HB GLU 2 1HB GLU 2 7.751 -12.098 -7.228 9 2HB GLU 2 2HB GLU 2 7.588 -10.454 -6.608 10 1HG GLU 2 1HG GLU 2 9.830 -10.766 -5.429 11 2HG GLU 2 2HG GLU 2 10.012 -12.277 -6.338 12 H TRP 3 H TRP 3 5.700 -10.012 -4.908 13 HA TRP 3 HA TRP 3 3.485 -9.852 -4.573 14 1HB TRP 3 1HB TRP 3 3.624 -11.815 -6.843 15 2HB TRP 3 2HB TRP 3 2.080 -11.259 -6.183 16 HD1 TRP 3 HD1 TRP 3 3.875 -10.626 -9.067 17 HE1 TRP 3 HE1 TRP 3 3.508 -8.289 -10.015 18 HE3 TRP 3 HE3 TRP 3 1.960 -8.325 -4.890 19 HZ2 TRP 3 HZ2 TRP 3 2.513 -5.727 -9.086 20 HZ3 TRP 3 HZ3 TRP 3 1.521 -5.922 -4.900 21 HH2 TRP 3 HH2 TRP 3 1.645 -4.626 -7.027 22 H GLU 4 H GLU 4 3.954 -10.709 -2.414 23 HA GLU 4 HA GLU 4 2.422 -13.236 -1.922 24 1HB GLU 4 1HB GLU 4 4.838 -13.619 -1.657 25 2HB GLU 4 2HB GLU 4 4.927 -12.290 -0.481 26 1HG GLU 4 1HG GLU 4 4.946 -14.520 0.576 27 2HG GLU 4 2HG GLU 4 3.569 -13.569 1.105 28 H ILE 5 H ILE 5 1.399 -13.297 0.193 29 HA ILE 5 HA ILE 5 0.164 -10.696 0.784 30 HB ILE 5 HB ILE 5 -0.318 -13.370 2.085 31 1HG1 ILE 5 1HG1 ILE 5 -0.833 -13.522 -0.356 32 2HG1 ILE 5 2HG1 ILE 5 -2.232 -13.740 0.685 33 1HG2 ILE 5 1HG2 ILE 5 -1.140 -11.641 3.497 34 2HG2 ILE 5 2HG2 ILE 5 -1.954 -10.825 2.152 35 3HG2 ILE 5 3HG2 ILE 5 -2.525 -12.406 2.719 36 1HD1 ILE 5 1HD1 ILE 5 -3.022 -11.468 0.216 37 2HD1 ILE 5 2HD1 ILE 5 -1.562 -11.130 -0.741 38 3HD1 ILE 5 3HD1 ILE 5 -2.731 -12.346 -1.289 39 H ILE 6 H ILE 6 0.506 -9.607 2.765 40 HA ILE 6 HA ILE 6 2.693 -10.675 4.502 41 HB ILE 6 HB ILE 6 3.189 -8.439 5.129 42 1HG1 ILE 6 1HG1 ILE 6 2.430 -6.531 3.610 43 2HG1 ILE 6 2HG1 ILE 6 1.048 -7.524 3.170 44 1HG2 ILE 6 1HG2 ILE 6 4.322 -9.554 3.212 45 2HG2 ILE 6 2HG2 ILE 6 3.199 -8.741 2.102 46 3HG2 ILE 6 3HG2 ILE 6 4.329 -7.789 3.085 47 1HD1 ILE 6 1HD1 ILE 6 0.246 -7.447 5.500 48 2HD1 ILE 6 2HD1 ILE 6 1.789 -6.737 6.032 49 3HD1 ILE 6 3HD1 ILE 6 0.689 -5.823 4.988 50 H ASP 7 H ASP 7 2.499 -10.355 6.762 51 HA ASP 7 HA ASP 7 -0.160 -11.011 7.721 52 1HB ASP 7 1HB ASP 7 2.424 -10.428 9.226 53 2HB ASP 7 2HB ASP 7 0.936 -11.076 9.925 54 H ILE 8 H ILE 8 -1.672 -9.517 8.339 55 HA ILE 8 HA ILE 8 -1.147 -6.745 8.294 56 HB ILE 8 HB ILE 8 -3.408 -6.552 8.973 57 1HG1 ILE 8 1HG1 ILE 8 -3.488 -9.564 9.421 58 2HG1 ILE 8 2HG1 ILE 8 -3.692 -8.302 10.648 59 1HG2 ILE 8 1HG2 ILE 8 -4.392 -7.471 6.997 60 2HG2 ILE 8 2HG2 ILE 8 -2.695 -7.180 6.620 61 3HG2 ILE 8 3HG2 ILE 8 -3.247 -8.826 6.969 62 1HD1 ILE 8 1HD1 ILE 8 -5.715 -7.474 9.454 63 2HD1 ILE 8 2HD1 ILE 8 -5.592 -8.875 8.357 64 3HD1 ILE 8 3HD1 ILE 8 -5.857 -9.124 10.089 65 H GLY 9 H GLY 9 -0.194 -5.527 9.814 66 1HA GLY 9 1HA GLY 9 -0.547 -6.038 12.697 67 2HA GLY 9 2HA GLY 9 1.059 -6.366 11.997 68 HA PRO 10 HA PRO 10 0.555 -1.896 13.404 69 1HB PRO 10 1HB PRO 10 3.171 -1.570 14.320 70 2HB PRO 10 2HB PRO 10 1.783 -2.134 15.290 71 1HG PRO 10 1HG PRO 10 3.871 -3.820 13.905 72 2HG PRO 10 2HG PRO 10 3.241 -3.994 15.566 73 1HD PRO 10 1HD PRO 10 2.322 -5.546 13.585 74 2HD PRO 10 2HD PRO 10 1.163 -4.879 14.769 75 H PHE 11 H PHE 11 3.338 -3.345 11.679 76 HA PHE 11 HA PHE 11 4.213 -1.173 10.178 77 1HB PHE 11 1HB PHE 11 5.242 -3.429 10.323 78 2HB PHE 11 2HB PHE 11 3.944 -4.091 9.339 79 HD1 PHE 11 HD1 PHE 11 7.151 -2.370 9.338 80 HD2 PHE 11 HD2 PHE 11 3.741 -3.419 6.906 81 HE1 PHE 11 HE1 PHE 11 8.580 -2.359 7.320 82 HE2 PHE 11 HE2 PHE 11 5.151 -3.313 4.890 83 HZ PHE 11 HZ PHE 11 7.597 -2.850 5.090 84 H THR 12 H THR 12 1.533 -3.489 9.432 85 HA THR 12 HA THR 12 0.893 -2.396 6.904 86 HB THR 12 HB THR 12 -1.074 -3.827 8.688 87 HG1 THR 12 HG1 THR 12 1.100 -5.118 7.438 88 1HG2 THR 12 1HG2 THR 12 -1.833 -3.332 6.461 89 2HG2 THR 12 2HG2 THR 12 -0.370 -4.006 5.733 90 3HG2 THR 12 3HG2 THR 12 -1.527 -5.071 6.559 91 H GLN 13 H GLN 13 -0.504 -1.989 10.176 92 HA GLN 13 HA GLN 13 -2.586 -0.195 9.546 93 1HB GLN 13 1HB GLN 13 -0.829 -0.511 12.012 94 2HB GLN 13 2HB GLN 13 -2.237 0.540 11.919 95 1HG GLN 13 1HG GLN 13 -3.690 -1.396 11.381 96 2HG GLN 13 2HG GLN 13 -2.291 -2.472 11.459 97 1HE2 GLN 13 1HE2 GLN 13 -4.409 -0.338 13.397 98 2HE2 GLN 13 2HE2 GLN 13 -3.967 -1.062 14.932 99 H ASN 14 H ASN 14 0.810 0.436 10.473 100 HA ASN 14 HA ASN 14 0.747 3.237 10.285 101 1HB ASN 14 1HB ASN 14 2.606 1.961 11.305 102 2HB ASN 14 2HB ASN 14 3.055 1.317 9.728 103 1HD2 ASN 14 1HD2 ASN 14 2.973 4.284 11.714 104 2HD2 ASN 14 2HD2 ASN 14 4.090 5.165 10.689 105 H LEU 15 H LEU 15 1.569 0.822 7.726 106 HA LEU 15 HA LEU 15 2.122 2.791 5.749 107 1HB LEU 15 1HB LEU 15 1.365 -0.127 5.695 108 2HB LEU 15 2HB LEU 15 1.257 0.786 4.191 109 HG LEU 15 HG LEU 15 3.800 0.625 5.859 110 1HD1 LEU 15 1HD1 LEU 15 3.135 -1.566 4.913 111 2HD1 LEU 15 2HD1 LEU 15 2.949 -0.826 3.308 112 3HD1 LEU 15 3HD1 LEU 15 4.551 -0.918 4.064 113 1HD2 LEU 15 1HD2 LEU 15 3.129 1.721 3.090 114 2HD2 LEU 15 2HD2 LEU 15 3.807 2.653 4.442 115 3HD2 LEU 15 3HD2 LEU 15 4.784 1.438 3.636 116 H GLY 16 H GLY 16 -0.947 1.120 6.533 117 1HA GLY 16 1HA GLY 16 -2.488 2.364 4.460 118 2HA GLY 16 2HA GLY 16 -3.139 1.731 5.976 119 H LYS 17 H LYS 17 -2.014 3.265 7.874 120 HA LYS 17 HA LYS 17 -3.490 5.589 7.959 121 1HB LYS 17 1HB LYS 17 -1.912 4.190 9.750 122 2HB LYS 17 2HB LYS 17 -0.917 5.609 9.512 123 1HG LYS 17 1HG LYS 17 -3.817 5.485 10.462 124 2HG LYS 17 2HG LYS 17 -2.379 5.909 11.411 125 1HD LYS 17 1HD LYS 17 -1.991 7.806 9.750 126 2HD LYS 17 2HD LYS 17 -3.608 7.465 9.101 127 1HE LYS 17 1HE LYS 17 -4.596 7.835 11.367 128 2HE LYS 17 2HE LYS 17 -2.986 8.247 11.991 129 1HZ LYS 17 1HZ LYS 17 -2.922 10.070 10.452 130 2HZ LYS 17 2HZ LYS 17 -4.417 9.689 9.871 131 3HZ LYS 17 3HZ LYS 17 -4.240 10.185 11.433 132 H PHE 18 H PHE 18 -0.048 5.191 7.208 133 HA PHE 18 HA PHE 18 0.627 7.857 6.582 134 1HB PHE 18 1HB PHE 18 2.357 6.216 6.867 135 2HB PHE 18 2HB PHE 18 1.682 5.178 5.631 136 HD1 PHE 18 HD1 PHE 18 3.224 8.585 6.051 137 HD2 PHE 18 HD2 PHE 18 2.478 5.249 3.416 138 HE1 PHE 18 HE1 PHE 18 4.800 9.537 4.387 139 HE2 PHE 18 HE2 PHE 18 4.075 6.201 1.772 140 HZ PHE 18 HZ PHE 18 5.271 8.317 2.275 141 H ALA 19 H ALA 19 -0.629 5.273 4.444 142 HA ALA 19 HA ALA 19 -0.702 6.835 2.071 143 1HB ALA 19 1HB ALA 19 -1.011 4.413 2.053 144 2HB ALA 19 2HB ALA 19 -2.562 4.562 2.896 145 3HB ALA 19 3HB ALA 19 -2.381 5.224 1.269 146 H VAL 20 H VAL 20 -3.180 6.349 4.575 147 HA VAL 20 HA VAL 20 -5.149 8.101 3.447 148 HB VAL 20 HB VAL 20 -4.667 7.079 6.267 149 1HG1 VAL 20 1HG1 VAL 20 -7.040 7.855 6.721 150 2HG1 VAL 20 2HG1 VAL 20 -5.850 9.156 6.629 151 3HG1 VAL 20 3HG1 VAL 20 -6.928 8.836 5.253 152 1HG2 VAL 20 1HG2 VAL 20 -6.801 6.490 4.160 153 2HG2 VAL 20 2HG2 VAL 20 -5.400 5.458 4.500 154 3HG2 VAL 20 3HG2 VAL 20 -6.640 5.707 5.743 155 H ASP 21 H ASP 21 -2.455 8.726 5.719 156 HA ASP 21 HA ASP 21 -3.116 11.411 6.316 157 1HB ASP 21 1HB ASP 21 -1.577 10.206 7.700 158 2HB ASP 21 2HB ASP 21 -0.492 9.863 6.352 159 H GLU 22 H GLU 22 -0.909 10.003 3.907 160 HA GLU 22 HA GLU 22 -0.086 12.392 2.637 161 1HB GLU 22 1HB GLU 22 0.966 10.105 2.413 162 2HB GLU 22 2HB GLU 22 -0.421 9.597 1.442 163 1HG GLU 22 1HG GLU 22 1.369 10.152 -0.054 164 2HG GLU 22 2HG GLU 22 0.163 11.430 -0.222 165 H GLU 23 H GLU 23 -2.805 10.143 1.959 166 HA GLU 23 HA GLU 23 -3.780 11.420 -0.354 167 1HB GLU 23 1HB GLU 23 -4.436 9.151 0.657 168 2HB GLU 23 2HB GLU 23 -5.527 10.037 1.734 169 1HG GLU 23 1HG GLU 23 -5.539 10.011 -1.316 170 2HG GLU 23 2HG GLU 23 -6.674 9.162 -0.254 171 H ASN 24 H ASN 24 -4.806 11.804 3.098 172 HA ASN 24 HA ASN 24 -6.624 13.899 2.732 173 1HB ASN 24 1HB ASN 24 -4.878 12.970 5.054 174 2HB ASN 24 2HB ASN 24 -5.981 14.330 5.168 175 1HD2 ASN 24 1HD2 ASN 24 -6.978 13.011 6.924 176 2HD2 ASN 24 2HD2 ASN 24 -8.145 11.776 6.460 177 H LYS 25 H LYS 25 -3.068 13.964 3.239 178 HA LYS 25 HA LYS 25 -2.778 16.736 3.602 179 1HB LYS 25 1HB LYS 25 -1.036 14.901 3.855 180 2HB LYS 25 2HB LYS 25 -0.834 14.943 2.095 181 1HG LYS 25 1HG LYS 25 -0.195 17.357 2.272 182 2HG LYS 25 2HG LYS 25 -0.387 17.241 4.036 183 1HD LYS 25 1HD LYS 25 1.344 15.394 4.050 184 2HD LYS 25 2HD LYS 25 1.531 15.599 2.304 185 1HE LYS 25 1HE LYS 25 3.335 16.766 3.420 186 2HE LYS 25 2HE LYS 25 2.265 17.970 2.680 187 1HZ LYS 25 1HZ LYS 25 1.280 18.314 4.834 188 2HZ LYS 25 2HZ LYS 25 2.248 17.163 5.510 189 3HZ LYS 25 3HZ LYS 25 2.909 18.549 4.911 190 H ILE 26 H ILE 26 -3.136 14.837 0.597 191 HA ILE 26 HA ILE 26 -2.758 17.205 -1.108 192 HB ILE 26 HB ILE 26 -3.557 14.349 -1.765 193 1HG1 ILE 26 1HG1 ILE 26 -0.875 15.735 -2.230 194 2HG1 ILE 26 2HG1 ILE 26 -1.194 14.778 -0.786 195 1HG2 ILE 26 1HG2 ILE 26 -2.740 16.693 -3.553 196 2HG2 ILE 26 2HG2 ILE 26 -2.963 15.028 -4.112 197 3HG2 ILE 26 3HG2 ILE 26 -4.340 15.935 -3.492 198 1HD1 ILE 26 1HD1 ILE 26 -1.712 12.794 -2.172 199 2HD1 ILE 26 2HD1 ILE 26 -1.239 13.707 -3.626 200 3HD1 ILE 26 3HD1 ILE 26 -0.051 13.387 -2.354 201 H GLY 27 H GLY 27 -5.437 15.052 -0.151 202 1HA GLY 27 1HA GLY 27 -7.585 15.652 0.349 203 2HA GLY 27 2HA GLY 27 -7.394 17.215 -0.442 204 H GLN 28 H GLN 28 -6.389 14.547 -2.422 205 HA GLN 28 HA GLN 28 -8.267 15.151 -4.448 206 1HB GLN 28 1HB GLN 28 -6.380 12.844 -3.951 207 2HB GLN 28 2HB GLN 28 -7.635 12.666 -5.183 208 1HG GLN 28 1HG GLN 28 -6.921 14.728 -6.302 209 2HG GLN 28 2HG GLN 28 -5.619 14.942 -5.127 210 1HE2 GLN 28 1HE2 GLN 28 -3.738 13.541 -5.290 211 2HE2 GLN 28 2HE2 GLN 28 -3.514 12.524 -6.702 212 H TYR 29 H TYR 29 -8.445 12.687 -1.904 213 HA TYR 29 HA TYR 29 -11.344 12.227 -2.599 214 1HB TYR 29 1HB TYR 29 -9.381 10.425 -1.149 215 2HB TYR 29 2HB TYR 29 -11.120 10.219 -1.180 216 HD1 TYR 29 HD1 TYR 29 -12.307 9.387 -3.096 217 HD2 TYR 29 HD2 TYR 29 -8.039 10.053 -3.275 218 HE1 TYR 29 HE1 TYR 29 -12.137 7.829 -5.002 219 HE2 TYR 29 HE2 TYR 29 -7.908 8.502 -5.217 220 HH TYR 29 HH TYR 29 -10.730 6.582 -6.308 221 H GLY 30 H GLY 30 -10.349 14.575 -1.286 222 1HA GLY 30 1HA GLY 30 -10.937 15.904 0.488 223 2HA GLY 30 2HA GLY 30 -12.209 14.727 0.843 224 H ARG 31 H ARG 31 -12.008 14.464 3.017 225 HA ARG 31 HA ARG 31 -9.344 13.918 4.263 226 1HB ARG 31 1HB ARG 31 -11.853 15.311 5.254 227 2HB ARG 31 2HB ARG 31 -10.525 14.809 6.311 228 1HG ARG 31 1HG ARG 31 -8.938 16.222 5.154 229 2HG ARG 31 2HG ARG 31 -10.112 16.617 3.886 230 1HD ARG 31 1HD ARG 31 -11.548 17.758 5.484 231 2HD ARG 31 2HD ARG 31 -10.430 17.370 6.817 232 HE ARG 31 HE ARG 31 -8.817 18.619 4.988 233 1HH1 ARG 31 1HH1 ARG 31 -11.820 19.542 6.603 234 2HH1 ARG 31 2HH1 ARG 31 -11.511 21.254 6.512 235 1HH2 ARG 31 1HH2 ARG 31 -8.383 20.840 4.890 236 2HH2 ARG 31 2HH2 ARG 31 -9.505 22.005 5.537 237 H LEU 32 H LEU 32 -9.361 11.666 4.055 238 HA LEU 32 HA LEU 32 -11.741 10.101 4.757 239 1HB LEU 32 1HB LEU 32 -8.871 9.263 4.254 240 2HB LEU 32 2HB LEU 32 -10.267 8.188 4.290 241 HG LEU 32 HG LEU 32 -9.822 10.415 2.234 242 1HD1 LEU 32 1HD1 LEU 32 -8.144 8.641 2.035 243 2HD1 LEU 32 2HD1 LEU 32 -9.421 7.406 2.031 244 3HD1 LEU 32 3HD1 LEU 32 -9.296 8.569 0.691 245 1HD2 LEU 32 1HD2 LEU 32 -11.881 8.162 2.375 246 2HD2 LEU 32 2HD2 LEU 32 -12.216 9.901 2.545 247 3HD2 LEU 32 3HD2 LEU 32 -11.642 9.266 1.005 248 H THR 33 H THR 33 -12.038 8.947 6.667 249 HA THR 33 HA THR 33 -10.110 9.428 8.877 250 HB THR 33 HB THR 33 -12.387 10.300 9.091 251 HG1 THR 33 HG1 THR 33 -11.197 9.843 10.927 252 1HG2 THR 33 1HG2 THR 33 -14.273 8.941 9.617 253 2HG2 THR 33 2HG2 THR 33 -13.686 8.463 8.019 254 3HG2 THR 33 3HG2 THR 33 -13.351 7.446 9.445 255 H PHE 34 H PHE 34 -8.671 7.833 8.914 256 HA PHE 34 HA PHE 34 -8.985 5.201 7.864 257 1HB PHE 34 1HB PHE 34 -6.847 6.029 8.130 258 2HB PHE 34 2HB PHE 34 -7.075 6.517 9.814 259 HD1 PHE 34 HD1 PHE 34 -5.655 4.059 7.646 260 HD2 PHE 34 HD2 PHE 34 -7.293 4.656 11.601 261 HE1 PHE 34 HE1 PHE 34 -4.135 2.342 8.557 262 HE2 PHE 34 HE2 PHE 34 -5.912 2.806 12.449 263 HZ PHE 34 HZ PHE 34 -4.266 1.683 10.951 264 H ASN 35 H ASN 35 -9.848 3.411 8.688 265 HA ASN 35 HA ASN 35 -10.712 3.364 11.578 266 1HB ASN 35 1HB ASN 35 -11.545 1.544 9.289 267 2HB ASN 35 2HB ASN 35 -12.019 1.382 10.964 268 1HD2 ASN 35 1HD2 ASN 35 -13.209 3.351 11.933 269 2HD2 ASN 35 2HD2 ASN 35 -14.273 4.218 10.847 270 H LYS 36 H LYS 36 -9.415 1.128 9.077 271 HA LYS 36 HA LYS 36 -7.080 0.416 10.546 272 1HB LYS 36 1HB LYS 36 -7.771 -1.990 11.011 273 2HB LYS 36 2HB LYS 36 -8.461 -0.777 12.080 274 1HG LYS 36 1HG LYS 36 -10.593 -0.843 10.932 275 2HG LYS 36 2HG LYS 36 -9.943 -1.915 9.672 276 1HD LYS 36 1HD LYS 36 -9.653 -3.722 11.262 277 2HD LYS 36 2HD LYS 36 -9.937 -2.644 12.636 278 1HE LYS 36 1HE LYS 36 -11.907 -4.059 12.183 279 2HE LYS 36 2HE LYS 36 -12.275 -2.335 12.018 280 1HZ LYS 36 1HZ LYS 36 -12.086 -2.574 9.656 281 2HZ LYS 36 2HZ LYS 36 -11.711 -4.174 9.796 282 3HZ LYS 36 3HZ LYS 36 -13.201 -3.631 10.245 283 H VAL 37 H VAL 37 -6.317 -1.893 9.495 284 HA VAL 37 HA VAL 37 -6.741 -1.679 6.560 285 HB VAL 37 HB VAL 37 -4.073 -2.229 7.923 286 1HG1 VAL 37 1HG1 VAL 37 -4.277 -2.957 5.575 287 2HG1 VAL 37 2HG1 VAL 37 -4.847 -1.337 5.111 288 3HG1 VAL 37 3HG1 VAL 37 -3.194 -1.553 5.704 289 1HG2 VAL 37 1HG2 VAL 37 -5.088 0.463 6.927 290 2HG2 VAL 37 2HG2 VAL 37 -4.697 0.039 8.609 291 3HG2 VAL 37 3HG2 VAL 37 -3.415 0.080 7.402 292 H ILE 38 H ILE 38 -6.950 -3.716 5.580 293 HA ILE 38 HA ILE 38 -6.394 -6.117 7.175 294 HB ILE 38 HB ILE 38 -8.617 -7.016 7.054 295 1HG1 ILE 38 1HG1 ILE 38 -9.647 -6.007 5.160 296 2HG1 ILE 38 2HG1 ILE 38 -10.610 -5.678 6.597 297 1HG2 ILE 38 1HG2 ILE 38 -7.961 -5.866 9.096 298 2HG2 ILE 38 2HG2 ILE 38 -8.721 -4.367 8.526 299 3HG2 ILE 38 3HG2 ILE 38 -9.705 -5.807 8.812 300 1HD1 ILE 38 1HD1 ILE 38 -9.351 -3.355 6.628 301 2HD1 ILE 38 2HD1 ILE 38 -8.969 -3.778 4.942 302 3HD1 ILE 38 3HD1 ILE 38 -10.646 -3.651 5.476 303 H ARG 39 H ARG 39 -6.994 -8.089 5.955 304 HA ARG 39 HA ARG 39 -5.531 -8.206 3.624 305 1HB ARG 39 1HB ARG 39 -6.684 -10.461 3.325 306 2HB ARG 39 2HB ARG 39 -5.854 -10.198 4.855 307 1HG ARG 39 1HG ARG 39 -7.788 -10.178 6.094 308 2HG ARG 39 2HG ARG 39 -8.781 -9.477 4.809 309 1HD ARG 39 1HD ARG 39 -7.715 -12.320 4.732 310 2HD ARG 39 2HD ARG 39 -9.321 -11.865 5.347 311 HE ARG 39 HE ARG 39 -9.183 -10.682 2.850 312 1HH1 ARG 39 1HH1 ARG 39 -9.033 -13.974 4.112 313 2HH1 ARG 39 2HH1 ARG 39 -9.742 -14.706 2.699 314 1HH2 ARG 39 1HH2 ARG 39 -10.126 -11.613 1.003 315 2HH2 ARG 39 2HH2 ARG 39 -10.379 -13.333 0.897 316 HA PRO 40 HA PRO 40 -5.473 -9.532 1.638 317 1HB PRO 40 1HB PRO 40 -5.053 -8.994 -0.987 318 2HB PRO 40 2HB PRO 40 -6.314 -10.124 -0.419 319 1HG PRO 40 1HG PRO 40 -6.661 -7.234 -1.230 320 2HG PRO 40 2HG PRO 40 -7.647 -8.636 -1.720 321 1HD PRO 40 1HD PRO 40 -8.359 -6.944 0.336 322 2HD PRO 40 2HD PRO 40 -8.765 -8.682 0.362 323 H CYS 41 H CYS 41 -3.303 -8.907 1.793 324 HA CYS 41 HA CYS 41 -2.576 -6.054 1.319 325 1HB CYS 41 1HB CYS 41 -1.907 -7.752 3.783 326 2HB CYS 41 2HB CYS 41 -1.219 -6.173 3.359 327 HG CYS 41 HG CYS 41 -3.760 -5.112 3.103 328 H MET 42 H MET 42 -1.234 -6.378 -0.458 329 HA MET 42 HA MET 42 0.492 -8.812 -0.422 330 1HB MET 42 1HB MET 42 -1.548 -8.720 -2.002 331 2HB MET 42 2HB MET 42 -0.598 -7.553 -2.938 332 1HG MET 42 1HG MET 42 1.266 -9.298 -2.970 333 2HG MET 42 2HG MET 42 0.147 -10.430 -2.224 334 1HE MET 42 1HE MET 42 -2.005 -11.416 -3.424 335 2HE MET 42 2HE MET 42 -2.627 -9.782 -3.775 336 3HE MET 42 3HE MET 42 -2.492 -10.982 -5.077 337 H LYS 43 H LYS 43 2.609 -8.607 -0.994 338 HA LYS 43 HA LYS 43 3.650 -5.849 -1.516 339 1HB LYS 43 1HB LYS 43 4.045 -6.657 0.790 340 2HB LYS 43 2HB LYS 43 4.812 -8.113 0.133 341 1HG LYS 43 1HG LYS 43 6.574 -6.587 -0.942 342 2HG LYS 43 2HG LYS 43 5.769 -5.228 -0.160 343 1HD LYS 43 1HD LYS 43 7.610 -5.810 1.223 344 2HD LYS 43 2HD LYS 43 6.183 -6.446 2.065 345 1HE LYS 43 1HE LYS 43 6.681 -8.723 1.162 346 2HE LYS 43 2HE LYS 43 8.068 -8.063 0.278 347 1HZ LYS 43 1HZ LYS 43 7.733 -8.088 3.191 348 2HZ LYS 43 2HZ LYS 43 8.714 -9.079 2.314 349 3HZ LYS 43 3HZ LYS 43 9.027 -7.464 2.381 350 H LYS 44 H LYS 44 5.310 -5.649 -3.026 351 HA LYS 44 HA LYS 44 6.610 -8.067 -4.036 352 1HB LYS 44 1HB LYS 44 4.636 -7.819 -5.413 353 2HB LYS 44 2HB LYS 44 5.129 -6.207 -5.932 354 1HG LYS 44 1HG LYS 44 7.252 -8.197 -6.415 355 2HG LYS 44 2HG LYS 44 5.720 -8.739 -7.094 356 1HD LYS 44 1HD LYS 44 5.487 -6.608 -8.326 357 2HD LYS 44 2HD LYS 44 7.012 -6.034 -7.629 358 1HE LYS 44 1HE LYS 44 8.219 -7.937 -8.674 359 2HE LYS 44 2HE LYS 44 6.699 -8.529 -9.376 360 1HZ LYS 44 1HZ LYS 44 6.567 -6.467 -10.593 361 2HZ LYS 44 2HZ LYS 44 7.989 -5.952 -9.931 362 3HZ LYS 44 3HZ LYS 44 7.973 -7.264 -10.927 363 H THR 45 H THR 45 8.661 -7.660 -4.970 364 HA THR 45 HA THR 45 9.983 -5.274 -4.084 365 HB THR 45 HB THR 45 11.006 -7.566 -5.808 366 HG1 THR 45 HG1 THR 45 10.755 -7.410 -2.986 367 1HG2 THR 45 1HG2 THR 45 12.617 -5.746 -5.566 368 2HG2 THR 45 2HG2 THR 45 12.383 -5.725 -3.805 369 3HG2 THR 45 3HG2 THR 45 13.118 -7.140 -4.591 370 H ILE 46 H ILE 46 10.774 -3.590 -5.307 371 HA ILE 46 HA ILE 46 10.277 -3.540 -8.246 372 HB ILE 46 HB ILE 46 10.024 -1.520 -6.161 373 1HG1 ILE 46 1HG1 ILE 46 8.386 -0.587 -7.707 374 2HG1 ILE 46 2HG1 ILE 46 8.870 -1.731 -8.964 375 1HG2 ILE 46 1HG2 ILE 46 11.973 -0.512 -7.237 376 2HG2 ILE 46 2HG2 ILE 46 11.257 -0.788 -8.845 377 3HG2 ILE 46 3HG2 ILE 46 10.523 0.364 -7.711 378 1HD1 ILE 46 1HD1 ILE 46 7.975 -3.597 -7.663 379 2HD1 ILE 46 2HD1 ILE 46 7.691 -2.532 -6.264 380 3HD1 ILE 46 3HD1 ILE 46 6.764 -2.316 -7.764 381 H TYR 47 H TYR 47 12.039 -3.938 -9.455 382 HA TYR 47 HA TYR 47 14.656 -2.936 -8.626 383 1HB TYR 47 1HB TYR 47 15.723 -5.046 -8.773 384 2HB TYR 47 2HB TYR 47 14.379 -5.221 -7.649 385 HD1 TYR 47 HD1 TYR 47 16.058 -6.611 -10.436 386 HD2 TYR 47 HD2 TYR 47 12.225 -6.354 -8.477 387 HE1 TYR 47 HE1 TYR 47 15.438 -8.771 -11.399 388 HE2 TYR 47 HE2 TYR 47 11.594 -8.529 -9.446 389 HH TYR 47 HH TYR 47 13.742 -10.340 -11.669 390 H GLU 48 H GLU 48 16.223 -3.332 -10.427 391 HA GLU 48 HA GLU 48 14.833 -2.711 -12.995 392 1HB GLU 48 1HB GLU 48 16.573 -1.142 -11.705 393 2HB GLU 48 2HB GLU 48 17.763 -2.148 -12.518 394 1HG GLU 48 1HG GLU 48 17.327 -0.193 -13.875 395 2HG GLU 48 2HG GLU 48 16.549 -1.527 -14.729 396 H ASN 49 H ASN 49 17.453 -3.239 -14.362 397 HA ASN 49 HA ASN 49 18.060 -6.020 -14.201 398 1HB ASN 49 1HB ASN 49 15.778 -6.323 -15.093 399 2HB ASN 49 2HB ASN 49 16.111 -5.193 -16.408 400 1HD2 ASN 49 1HD2 ASN 49 16.255 -6.417 -18.293 401 2HD2 ASN 49 2HD2 ASN 49 17.205 -7.887 -18.416 402 H GLU 50 H GLU 50 17.551 -3.384 -16.570 403 HA GLU 50 HA GLU 50 19.799 -3.830 -18.182 404 1HB GLU 50 1HB GLU 50 17.888 -2.276 -18.656 405 2HB GLU 50 2HB GLU 50 18.542 -1.145 -17.454 406 1HG GLU 50 1HG GLU 50 20.604 -0.898 -18.812 407 2HG GLU 50 2HG GLU 50 19.996 -2.099 -19.967 408 H GLY 51 H GLY 51 21.937 -3.076 -18.112 409 1HA GLY 51 1HA GLY 51 23.906 -2.341 -17.128 410 2HA GLY 51 2HA GLY 51 23.007 -1.629 -15.784 411 H PHE 52 H PHE 52 22.009 -3.190 -14.263 412 HA PHE 52 HA PHE 52 23.118 -5.883 -14.065 413 1HB PHE 52 1HB PHE 52 24.025 -3.647 -12.216 414 2HB PHE 52 2HB PHE 52 23.852 -5.277 -11.603 415 HD1 PHE 52 HD1 PHE 52 25.371 -7.070 -12.157 416 HD2 PHE 52 HD2 PHE 52 25.822 -3.163 -13.935 417 HE1 PHE 52 HE1 PHE 52 27.626 -7.693 -12.967 418 HE2 PHE 52 HE2 PHE 52 28.058 -3.813 -14.781 419 HZ PHE 52 HZ PHE 52 28.967 -6.076 -14.297 420 H ARG 53 H ARG 53 21.968 -7.141 -12.597 421 HA ARG 53 HA ARG 53 19.330 -6.279 -11.798 422 1HB ARG 53 1HB ARG 53 19.195 -8.463 -10.711 423 2HB ARG 53 2HB ARG 53 19.819 -8.587 -12.352 424 1HG ARG 53 1HG ARG 53 21.376 -9.943 -11.448 425 2HG ARG 53 2HG ARG 53 22.194 -8.460 -10.966 426 1HD ARG 53 1HD ARG 53 20.863 -8.596 -8.770 427 2HD ARG 53 2HD ARG 53 20.365 -10.211 -9.254 428 HE ARG 53 HE ARG 53 22.946 -9.288 -8.275 429 1HH1 ARG 53 1HH1 ARG 53 21.427 -11.824 -10.204 430 2HH1 ARG 53 2HH1 ARG 53 22.679 -13.001 -9.908 431 1HH2 ARG 53 1HH2 ARG 53 24.588 -10.803 -7.878 432 2HH2 ARG 53 2HH2 ARG 53 24.517 -12.401 -8.567 433 H GLU 54 H GLU 54 18.816 -5.090 -9.965 434 HA GLU 54 HA GLU 54 20.033 -5.678 -7.511 435 1HB GLU 54 1HB GLU 54 21.690 -3.947 -8.680 436 2HB GLU 54 2HB GLU 54 20.457 -2.758 -8.244 437 1HG GLU 54 1HG GLU 54 20.650 -3.510 -5.850 438 2HG GLU 54 2HG GLU 54 21.883 -4.690 -6.344 439 H ILE 55 H ILE 55 18.668 -5.014 -5.832 440 HA ILE 55 HA ILE 55 15.975 -4.253 -6.619 441 HB ILE 55 HB ILE 55 17.235 -4.933 -3.946 442 1HG1 ILE 55 1HG1 ILE 55 15.215 -6.457 -5.663 443 2HG1 ILE 55 2HG1 ILE 55 16.952 -6.754 -5.717 444 1HG2 ILE 55 1HG2 ILE 55 15.388 -3.387 -3.519 445 2HG2 ILE 55 2HG2 ILE 55 14.336 -4.271 -4.640 446 3HG2 ILE 55 3HG2 ILE 55 14.853 -5.006 -3.110 447 1HD1 ILE 55 1HD1 ILE 55 16.961 -7.341 -3.317 448 2HD1 ILE 55 2HD1 ILE 55 15.192 -7.176 -3.274 449 3HD1 ILE 55 3HD1 ILE 55 15.938 -8.403 -4.304 450 H LYS 56 H LYS 56 15.000 -2.313 -6.414 451 HA LYS 56 HA LYS 56 16.695 -0.085 -5.350 452 1HB LYS 56 1HB LYS 56 16.323 -0.390 -7.936 453 2HB LYS 56 2HB LYS 56 14.723 0.294 -7.594 454 1HG LYS 56 1HG LYS 56 15.883 2.278 -6.519 455 2HG LYS 56 2HG LYS 56 17.433 1.499 -6.840 456 1HD LYS 56 1HD LYS 56 17.201 3.096 -8.563 457 2HD LYS 56 2HD LYS 56 16.917 1.521 -9.305 458 1HE LYS 56 1HE LYS 56 15.307 3.123 -10.159 459 2HE LYS 56 2HE LYS 56 14.435 1.945 -9.174 460 1HZ LYS 56 1HZ LYS 56 14.445 3.547 -7.384 461 2HZ LYS 56 2HZ LYS 56 15.298 4.620 -8.296 462 3HZ LYS 56 3HZ LYS 56 13.766 4.201 -8.733 463 H GLY 57 H GLY 57 13.516 -1.665 -5.303 464 1HA GLY 57 1HA GLY 57 12.735 -0.022 -3.059 465 2HA GLY 57 2HA GLY 57 11.893 0.399 -4.578 466 H TYR 58 H TYR 58 10.044 -0.309 -3.119 467 HA TYR 58 HA TYR 58 9.284 -3.056 -3.799 468 1HB TYR 58 1HB TYR 58 8.865 -2.023 -0.985 469 2HB TYR 58 2HB TYR 58 8.648 -3.643 -1.600 470 HD1 TYR 58 HD1 TYR 58 10.547 -5.212 -1.739 471 HD2 TYR 58 HD2 TYR 58 11.146 -1.130 -0.496 472 HE1 TYR 58 HE1 TYR 58 12.935 -5.699 -1.249 473 HE2 TYR 58 HE2 TYR 58 13.517 -1.610 -0.030 474 HH TYR 58 HH TYR 58 15.221 -3.175 -0.168 475 H GLU 59 H GLU 59 6.920 -3.288 -3.463 476 HA GLU 59 HA GLU 59 5.441 -0.786 -3.026 477 1HB GLU 59 1HB GLU 59 3.964 -1.141 -4.809 478 2HB GLU 59 2HB GLU 59 5.577 -1.286 -5.510 479 1HG GLU 59 1HG GLU 59 5.275 -3.840 -5.173 480 2HG GLU 59 2HG GLU 59 3.567 -3.484 -4.848 481 H TYR 60 H TYR 60 3.459 -1.081 -2.006 482 HA TYR 60 HA TYR 60 2.758 -3.796 -0.985 483 1HB TYR 60 1HB TYR 60 2.721 -1.210 0.612 484 2HB TYR 60 2HB TYR 60 2.350 -2.822 1.185 485 HD1 TYR 60 HD1 TYR 60 4.106 -4.217 2.076 486 HD2 TYR 60 HD2 TYR 60 5.078 -0.541 0.038 487 HE1 TYR 60 HE1 TYR 60 6.408 -4.290 3.005 488 HE2 TYR 60 HE2 TYR 60 7.387 -0.669 0.909 489 HH TYR 60 HH TYR 60 8.845 -1.779 2.347 490 H GLN 61 H GLN 61 0.662 -4.102 -1.760 491 HA GLN 61 HA GLN 61 -1.100 -1.702 -1.949 492 1HB GLN 61 1HB GLN 61 -0.685 -2.917 -4.161 493 2HB GLN 61 2HB GLN 61 -1.636 -4.235 -3.459 494 1HG GLN 61 1HG GLN 61 -3.433 -2.403 -2.949 495 2HG GLN 61 2HG GLN 61 -2.459 -1.313 -3.933 496 1HE2 GLN 61 1HE2 GLN 61 -4.301 -1.059 -5.497 497 2HE2 GLN 61 2HE2 GLN 61 -4.646 -2.401 -6.557 498 H LEU 62 H LEU 62 -2.816 -1.633 -0.624 499 HA LEU 62 HA LEU 62 -3.755 -4.088 0.675 500 1HB LEU 62 1HB LEU 62 -3.363 -2.993 2.963 501 2HB LEU 62 2HB LEU 62 -2.030 -3.779 2.121 502 HG LEU 62 HG LEU 62 -1.188 -1.532 1.357 503 1HD1 LEU 62 1HD1 LEU 62 -3.150 -0.124 1.540 504 2HD1 LEU 62 2HD1 LEU 62 -3.367 -0.554 3.251 505 3HD1 LEU 62 3HD1 LEU 62 -1.983 0.428 2.741 506 1HD2 LEU 62 1HD2 LEU 62 -1.415 -2.001 4.345 507 2HD2 LEU 62 2HD2 LEU 62 -0.228 -2.740 3.252 508 3HD2 LEU 62 3HD2 LEU 62 -0.209 -0.991 3.525 509 H TYR 63 H TYR 63 -5.635 -3.902 1.852 510 HA TYR 63 HA TYR 63 -7.483 -1.809 0.884 511 1HB TYR 63 1HB TYR 63 -8.322 -3.903 0.487 512 2HB TYR 63 2HB TYR 63 -7.678 -4.589 1.982 513 HD1 TYR 63 HD1 TYR 63 -9.907 -5.760 1.788 514 HD2 TYR 63 HD2 TYR 63 -9.707 -1.514 2.376 515 HE1 TYR 63 HE1 TYR 63 -12.224 -5.734 2.617 516 HE2 TYR 63 HE2 TYR 63 -11.936 -1.548 3.390 517 HH TYR 63 HH TYR 63 -13.718 -4.589 4.014 518 H VAL 64 H VAL 64 -7.535 -0.024 2.053 519 HA VAL 64 HA VAL 64 -7.237 -0.092 4.998 520 HB VAL 64 HB VAL 64 -7.431 2.302 3.131 521 1HG1 VAL 64 1HG1 VAL 64 -8.150 2.777 5.429 522 2HG1 VAL 64 2HG1 VAL 64 -6.701 1.986 6.080 523 3HG1 VAL 64 3HG1 VAL 64 -6.551 3.480 5.145 524 1HG2 VAL 64 1HG2 VAL 64 -4.968 1.014 4.379 525 2HG2 VAL 64 2HG2 VAL 64 -5.338 1.106 2.642 526 3HG2 VAL 64 3HG2 VAL 64 -5.002 2.583 3.549 527 H TYR 65 H TYR 65 -9.079 -0.087 6.156 528 HA TYR 65 HA TYR 65 -11.680 0.377 4.816 529 1HB TYR 65 1HB TYR 65 -10.847 -1.401 6.777 530 2HB TYR 65 2HB TYR 65 -11.520 -0.130 7.770 531 HD1 TYR 65 HD1 TYR 65 -13.814 0.639 5.748 532 HD2 TYR 65 HD2 TYR 65 -12.385 -3.097 7.359 533 HE1 TYR 65 HE1 TYR 65 -16.007 -0.420 5.281 534 HE2 TYR 65 HE2 TYR 65 -14.649 -4.069 7.091 535 HH TYR 65 HH TYR 65 -17.396 -2.147 5.938 536 H ALA 66 H ALA 66 -12.286 2.536 4.769 537 HA ALA 66 HA ALA 66 -11.369 4.373 6.937 538 1HB ALA 66 1HB ALA 66 -9.789 4.603 5.039 539 2HB ALA 66 2HB ALA 66 -11.157 4.915 3.946 540 3HB ALA 66 3HB ALA 66 -10.786 6.052 5.260 541 H SER 67 H SER 67 -12.967 5.672 7.611 542 HA SER 67 HA SER 67 -15.121 6.397 7.946 543 1HB SER 67 1HB SER 67 -14.509 7.803 5.927 544 2HB SER 67 2HB SER 67 -15.283 6.580 4.903 545 HG SER 67 HG SER 67 -17.194 6.919 6.115 546 H ASP 68 H ASP 68 -14.729 3.572 7.824 547 HA ASP 68 HA ASP 68 -15.633 1.568 7.446 548 1HB ASP 68 1HB ASP 68 -17.246 2.443 9.117 549 2HB ASP 68 2HB ASP 68 -18.290 3.006 7.799 550 H LYS 69 H LYS 69 -14.865 2.876 5.127 551 HA LYS 69 HA LYS 69 -16.635 1.611 3.131 552 1HB LYS 69 1HB LYS 69 -16.548 4.360 3.529 553 2HB LYS 69 2HB LYS 69 -15.203 4.135 2.427 554 1HG LYS 69 1HG LYS 69 -17.080 4.617 1.086 555 2HG LYS 69 2HG LYS 69 -16.866 2.869 0.896 556 1HD LYS 69 1HD LYS 69 -18.631 2.520 2.689 557 2HD LYS 69 2HD LYS 69 -18.825 4.267 2.806 558 1HE LYS 69 1HE LYS 69 -19.339 2.595 0.297 559 2HE LYS 69 2HE LYS 69 -20.577 3.193 1.415 560 1HZ LYS 69 1HZ LYS 69 -19.892 5.423 0.887 561 2HZ LYS 69 2HZ LYS 69 -18.778 4.863 -0.192 562 3HZ LYS 69 3HZ LYS 69 -20.384 4.613 -0.459 563 H LEU 70 H LEU 70 -15.453 1.052 1.180 564 HA LEU 70 HA LEU 70 -12.917 -0.116 1.945 565 1HB LEU 70 1HB LEU 70 -14.949 -1.094 0.562 566 2HB LEU 70 2HB LEU 70 -14.314 -0.171 -0.764 567 HG LEU 70 HG LEU 70 -13.341 -2.160 -1.283 568 1HD1 LEU 70 1HD1 LEU 70 -11.331 -0.867 -0.953 569 2HD1 LEU 70 2HD1 LEU 70 -11.346 -1.200 0.767 570 3HD1 LEU 70 3HD1 LEU 70 -11.066 -2.515 -0.385 571 1HD2 LEU 70 1HD2 LEU 70 -13.718 -2.795 1.584 572 2HD2 LEU 70 2HD2 LEU 70 -14.487 -3.488 0.165 573 3HD2 LEU 70 3HD2 LEU 70 -12.795 -3.880 0.493 574 H PHE 71 H PHE 71 -10.988 1.027 1.660 575 HA PHE 71 HA PHE 71 -10.659 2.739 -0.770 576 1HB PHE 71 1HB PHE 71 -10.270 3.340 2.151 577 2HB PHE 71 2HB PHE 71 -9.106 3.985 1.034 578 HD1 PHE 71 HD1 PHE 71 -9.609 5.951 -0.312 579 HD2 PHE 71 HD2 PHE 71 -12.767 3.920 1.810 580 HE1 PHE 71 HE1 PHE 71 -11.210 7.608 -1.134 581 HE2 PHE 71 HE2 PHE 71 -14.378 5.636 0.990 582 HZ PHE 71 HZ PHE 71 -13.609 7.461 -0.493 583 H ARG 72 H ARG 72 -9.124 1.799 -2.051 584 HA ARG 72 HA ARG 72 -7.255 -0.165 -0.817 585 1HB ARG 72 1HB ARG 72 -8.817 -0.839 -2.671 586 2HB ARG 72 2HB ARG 72 -8.076 0.393 -3.676 587 1HG ARG 72 1HG ARG 72 -7.090 -1.586 -4.386 588 2HG ARG 72 2HG ARG 72 -5.847 -0.843 -3.373 589 1HD ARG 72 1HD ARG 72 -6.538 -2.284 -1.490 590 2HD ARG 72 2HD ARG 72 -7.816 -3.014 -2.489 591 HE ARG 72 HE ARG 72 -5.617 -3.441 -4.015 592 1HH1 ARG 72 1HH1 ARG 72 -6.494 -4.231 -0.713 593 2HH1 ARG 72 2HH1 ARG 72 -5.298 -5.469 -0.487 594 1HH2 ARG 72 1HH2 ARG 72 -3.981 -5.032 -3.813 595 2HH2 ARG 72 2HH2 ARG 72 -3.825 -5.935 -2.321 596 H ALA 73 H ALA 73 -5.025 0.350 -0.752 597 HA ALA 73 HA ALA 73 -4.104 2.754 -2.329 598 1HB ALA 73 1HB ALA 73 -4.568 3.450 -0.006 599 2HB ALA 73 2HB ALA 73 -3.522 2.147 0.597 600 3HB ALA 73 3HB ALA 73 -2.831 3.466 -0.374 601 H ASP 74 H ASP 74 -2.105 2.631 -3.172 602 HA ASP 74 HA ASP 74 -0.440 0.242 -2.535 603 1HB ASP 74 1HB ASP 74 -1.215 0.254 -4.870 604 2HB ASP 74 2HB ASP 74 -0.423 1.812 -5.126 605 H ILE 75 H ILE 75 1.315 0.752 -1.415 606 HA ILE 75 HA ILE 75 2.339 3.563 -1.502 607 HB ILE 75 HB ILE 75 2.825 1.472 0.659 608 1HG1 ILE 75 1HG1 ILE 75 1.524 3.289 2.040 609 2HG1 ILE 75 2HG1 ILE 75 0.822 3.759 0.490 610 1HG2 ILE 75 1HG2 ILE 75 4.677 3.022 0.416 611 2HG2 ILE 75 2HG2 ILE 75 3.567 4.407 0.333 612 3HG2 ILE 75 3HG2 ILE 75 3.773 3.512 1.841 613 1HD1 ILE 75 1HD1 ILE 75 -0.216 1.527 0.290 614 2HD1 ILE 75 2HD1 ILE 75 0.754 0.923 1.650 615 3HD1 ILE 75 3HD1 ILE 75 -0.511 2.132 1.918 616 H SER 76 H SER 76 4.486 3.798 -2.045 617 HA SER 76 HA SER 76 5.958 1.387 -3.007 618 1HB SER 76 1HB SER 76 7.077 2.934 -4.599 619 2HB SER 76 2HB SER 76 5.361 2.671 -4.919 620 HG SER 76 HG SER 76 5.156 4.734 -3.534 621 H GLU 77 H GLU 77 8.141 1.327 -2.445 622 HA GLU 77 HA GLU 77 9.200 3.374 -0.553 623 1HB GLU 77 1HB GLU 77 8.537 1.463 0.763 624 2HB GLU 77 2HB GLU 77 9.334 0.352 -0.366 625 1HG GLU 77 1HG GLU 77 11.543 1.237 0.253 626 2HG GLU 77 2HG GLU 77 10.802 2.491 1.256 627 H ASP 78 H ASP 78 11.203 4.078 -1.143 628 HA ASP 78 HA ASP 78 12.624 2.658 -3.348 629 1HB ASP 78 1HB ASP 78 11.888 5.067 -3.696 630 2HB ASP 78 2HB ASP 78 13.083 5.520 -2.470 631 H TYR 79 H TYR 79 14.264 1.481 -2.650 632 HA TYR 79 HA TYR 79 15.190 1.414 0.046 633 1HB TYR 79 1HB TYR 79 15.134 -0.478 -1.629 634 2HB TYR 79 2HB TYR 79 16.470 0.292 -2.479 635 HD1 TYR 79 HD1 TYR 79 15.548 -0.782 1.030 636 HD2 TYR 79 HD2 TYR 79 18.618 -0.559 -1.996 637 HE1 TYR 79 HE1 TYR 79 17.060 -2.102 2.467 638 HE2 TYR 79 HE2 TYR 79 20.143 -1.850 -0.530 639 HH TYR 79 HH TYR 79 19.150 -3.054 2.685 640 H LYS 80 H LYS 80 16.180 3.265 -2.788 641 HA LYS 80 HA LYS 80 18.865 3.747 -2.130 642 1HB LYS 80 1HB LYS 80 17.652 4.216 -4.314 643 2HB LYS 80 2HB LYS 80 16.948 5.653 -3.541 644 1HG LYS 80 1HG LYS 80 19.233 6.586 -3.229 645 2HG LYS 80 2HG LYS 80 19.918 5.138 -3.996 646 1HD LYS 80 1HD LYS 80 18.637 5.651 -6.072 647 2HD LYS 80 2HD LYS 80 17.934 7.077 -5.283 648 1HE LYS 80 1HE LYS 80 20.218 8.043 -5.010 649 2HE LYS 80 2HE LYS 80 20.907 6.629 -5.834 650 1HZ LYS 80 1HZ LYS 80 19.629 7.222 -7.767 651 2HZ LYS 80 2HZ LYS 80 18.998 8.536 -6.997 652 3HZ LYS 80 3HZ LYS 80 20.612 8.465 -7.315 653 H THR 81 H THR 81 15.977 5.091 -0.679 654 HA THR 81 HA THR 81 17.783 6.435 1.268 655 HB THR 81 HB THR 81 15.372 7.904 0.140 656 HG1 THR 81 HG1 THR 81 18.027 7.720 -0.750 657 1HG2 THR 81 1HG2 THR 81 16.166 8.812 2.300 658 2HG2 THR 81 2HG2 THR 81 17.836 8.841 1.690 659 3HG2 THR 81 3HG2 THR 81 16.605 9.902 0.981 660 H ARG 82 H ARG 82 15.546 4.141 0.833 661 HA ARG 82 HA ARG 82 13.902 3.177 2.011 662 1HB ARG 82 1HB ARG 82 15.867 3.083 3.689 663 2HB ARG 82 2HB ARG 82 15.048 4.406 4.533 664 1HG ARG 82 1HG ARG 82 12.940 2.827 4.467 665 2HG ARG 82 2HG ARG 82 14.081 1.553 4.039 666 1HD ARG 82 1HD ARG 82 14.228 3.332 6.519 667 2HD ARG 82 2HD ARG 82 13.537 1.696 6.466 668 HE ARG 82 HE ARG 82 16.182 1.584 5.444 669 1HH1 ARG 82 1HH1 ARG 82 14.494 2.166 8.482 670 2HH1 ARG 82 2HH1 ARG 82 15.733 1.467 9.489 671 1HH2 ARG 82 1HH2 ARG 82 17.829 0.658 6.740 672 2HH2 ARG 82 2HH2 ARG 82 17.669 0.600 8.474 673 H GLY 83 H GLY 83 13.202 5.497 0.774 674 1HA GLY 83 1HA GLY 83 11.431 7.015 2.682 675 2HA GLY 83 2HA GLY 83 12.040 7.628 1.140 676 H ARG 84 H ARG 84 9.174 6.969 2.207 677 HA ARG 84 HA ARG 84 8.381 5.236 -0.065 678 1HB ARG 84 1HB ARG 84 6.827 5.711 2.451 679 2HB ARG 84 2HB ARG 84 6.566 4.425 1.273 680 1HG ARG 84 1HG ARG 84 8.935 3.577 1.993 681 2HG ARG 84 2HG ARG 84 8.720 4.633 3.402 682 1HD ARG 84 1HD ARG 84 6.483 3.455 3.784 683 2HD ARG 84 2HD ARG 84 6.965 2.317 2.509 684 HE ARG 84 HE ARG 84 8.758 2.799 4.838 685 1HH1 ARG 84 1HH1 ARG 84 6.635 0.470 3.190 686 2HH1 ARG 84 2HH1 ARG 84 6.858 -0.759 4.404 687 1HH2 ARG 84 1HH2 ARG 84 9.022 1.185 6.391 688 2HH2 ARG 84 2HH2 ARG 84 8.211 -0.351 6.230 689 H LYS 85 H LYS 85 6.181 5.616 -0.807 690 HA LYS 85 HA LYS 85 4.855 8.026 -0.165 691 1HB LYS 85 1HB LYS 85 5.057 9.292 -2.175 692 2HB LYS 85 2HB LYS 85 6.668 8.979 -1.553 693 1HG LYS 85 1HG LYS 85 6.940 8.725 -3.810 694 2HG LYS 85 2HG LYS 85 6.815 7.044 -3.266 695 1HD LYS 85 1HD LYS 85 4.607 6.838 -4.179 696 2HD LYS 85 2HD LYS 85 4.363 8.590 -4.211 697 1HE LYS 85 1HE LYS 85 4.635 7.704 -6.454 698 2HE LYS 85 2HE LYS 85 5.987 8.781 -6.065 699 1HZ LYS 85 1HZ LYS 85 7.329 6.878 -5.630 700 2HZ LYS 85 2HZ LYS 85 6.064 5.846 -5.845 701 3HZ LYS 85 3HZ LYS 85 6.656 6.713 -7.128 702 H LEU 86 H LEU 86 2.813 8.181 -1.064 703 HA LEU 86 HA LEU 86 1.418 5.775 -1.657 704 1HB LEU 86 1HB LEU 86 0.388 7.810 -0.706 705 2HB LEU 86 2HB LEU 86 0.785 8.703 -2.178 706 HG LEU 86 HG LEU 86 -0.743 7.117 -3.462 707 1HD1 LEU 86 1HD1 LEU 86 -0.818 5.250 -1.814 708 2HD1 LEU 86 2HD1 LEU 86 -1.586 6.333 -0.635 709 3HD1 LEU 86 3HD1 LEU 86 -2.435 5.888 -2.129 710 1HD2 LEU 86 1HD2 LEU 86 -1.991 8.757 -1.218 711 2HD2 LEU 86 2HD2 LEU 86 -1.371 9.410 -2.750 712 3HD2 LEU 86 3HD2 LEU 86 -2.750 8.308 -2.763 713 H LEU 87 H LEU 87 1.739 4.578 -3.534 714 HA LEU 87 HA LEU 87 2.905 5.784 -5.919 715 1HB LEU 87 1HB LEU 87 3.170 3.350 -5.146 716 2HB LEU 87 2HB LEU 87 1.501 3.104 -5.634 717 HG LEU 87 HG LEU 87 2.044 3.742 -7.962 718 1HD1 LEU 87 1HD1 LEU 87 4.066 5.120 -7.669 719 2HD1 LEU 87 2HD1 LEU 87 4.934 3.737 -6.974 720 3HD1 LEU 87 3HD1 LEU 87 4.436 3.719 -8.674 721 1HD2 LEU 87 1HD2 LEU 87 3.667 1.444 -6.805 722 2HD2 LEU 87 2HD2 LEU 87 1.960 1.397 -7.295 723 3HD2 LEU 87 3HD2 LEU 87 3.218 1.644 -8.512 724 H ARG 88 H ARG 88 -0.232 4.426 -4.858 725 HA ARG 88 HA ARG 88 -1.729 6.264 -6.478 726 1HB ARG 88 1HB ARG 88 -0.929 3.720 -7.668 727 2HB ARG 88 2HB ARG 88 -2.657 3.666 -7.392 728 1HG ARG 88 1HG ARG 88 -3.128 5.138 -9.040 729 2HG ARG 88 2HG ARG 88 -1.804 6.233 -8.627 730 1HD ARG 88 1HD ARG 88 -1.397 3.617 -10.115 731 2HD ARG 88 2HD ARG 88 -1.550 5.227 -10.858 732 HE ARG 88 HE ARG 88 0.440 5.303 -8.803 733 1HH1 ARG 88 1HH1 ARG 88 -0.032 4.068 -12.081 734 2HH1 ARG 88 2HH1 ARG 88 1.625 4.314 -12.563 735 1HH2 ARG 88 1HH2 ARG 88 2.555 5.665 -9.408 736 2HH2 ARG 88 2HH2 ARG 88 3.152 5.220 -10.989 737 H PHE 89 H PHE 89 -4.001 6.008 -6.188 738 HA PHE 89 HA PHE 89 -4.795 4.464 -3.781 739 1HB PHE 89 1HB PHE 89 -4.565 7.184 -3.765 740 2HB PHE 89 2HB PHE 89 -6.177 7.047 -4.444 741 HD1 PHE 89 HD1 PHE 89 -7.712 5.193 -3.115 742 HD2 PHE 89 HD2 PHE 89 -4.406 7.391 -1.416 743 HE1 PHE 89 HE1 PHE 89 -8.135 4.173 -0.948 744 HE2 PHE 89 HE2 PHE 89 -5.106 6.672 0.841 745 HZ PHE 89 HZ PHE 89 -6.978 5.060 1.104 746 H ASN 90 H ASN 90 -6.763 3.339 -4.131 747 HA ASN 90 HA ASN 90 -8.177 3.773 -6.692 748 1HB ASN 90 1HB ASN 90 -8.033 0.986 -5.723 749 2HB ASN 90 2HB ASN 90 -7.973 1.654 -7.330 750 1HD2 ASN 90 1HD2 ASN 90 -5.729 3.063 -7.620 751 2HD2 ASN 90 2HD2 ASN 90 -4.336 2.034 -7.300 752 H GLY 91 H GLY 91 -10.359 3.935 -6.363 753 1HA GLY 91 1HA GLY 91 -12.087 2.560 -4.924 754 2HA GLY 91 2HA GLY 91 -11.400 3.578 -3.629 755 HA PRO 92 HA PRO 92 -13.446 3.804 -2.650 756 1HB PRO 92 1HB PRO 92 -16.140 4.047 -2.469 757 2HB PRO 92 2HB PRO 92 -15.039 5.406 -2.097 758 1HG PRO 92 1HG PRO 92 -16.471 4.866 -4.723 759 2HG PRO 92 2HG PRO 92 -16.475 6.386 -3.776 760 1HD PRO 92 1HD PRO 92 -14.751 6.011 -5.857 761 2HD PRO 92 2HD PRO 92 -14.218 6.848 -4.373 762 H VAL 93 H VAL 93 -14.576 1.767 -2.216 763 HA VAL 93 HA VAL 93 -15.801 0.375 -4.532 764 HB VAL 93 HB VAL 93 -14.542 -1.577 -2.936 765 1HG1 VAL 93 1HG1 VAL 93 -15.007 -1.763 -5.382 766 2HG1 VAL 93 2HG1 VAL 93 -13.640 -0.675 -5.673 767 3HG1 VAL 93 3HG1 VAL 93 -13.380 -2.255 -4.901 768 1HG2 VAL 93 1HG2 VAL 93 -12.434 0.399 -3.966 769 2HG2 VAL 93 2HG2 VAL 93 -12.803 0.191 -2.259 770 3HG2 VAL 93 3HG2 VAL 93 -12.141 -1.157 -3.182 771 HA PRO 94 HA PRO 94 -18.863 -0.293 -1.435 772 1HB PRO 94 1HB PRO 94 -20.061 -2.671 -2.030 773 2HB PRO 94 2HB PRO 94 -20.121 -1.275 -3.148 774 1HG PRO 94 1HG PRO 94 -18.243 -3.645 -3.224 775 2HG PRO 94 2HG PRO 94 -19.185 -2.954 -4.576 776 1HD PRO 94 1HD PRO 94 -16.555 -2.373 -4.043 777 2HD PRO 94 2HD PRO 94 -17.644 -1.182 -4.834 778 HA PRO 95 HA PRO 95 -17.075 -2.858 1.795 779 1HB PRO 95 1HB PRO 95 -19.201 -3.394 3.441 780 2HB PRO 95 2HB PRO 95 -18.496 -1.758 3.287 781 1HG PRO 95 1HG PRO 95 -20.906 -2.871 1.821 782 2HG PRO 95 2HG PRO 95 -20.801 -1.335 2.727 783 1HD PRO 95 1HD PRO 95 -20.479 -1.437 0.027 784 2HD PRO 95 2HD PRO 95 -19.482 -0.332 1.017 785 HA PRO 96 HA PRO 96 -17.923 -6.978 0.277 786 1HB PRO 96 1HB PRO 96 -16.931 -8.587 2.261 787 2HB PRO 96 2HB PRO 96 -15.894 -7.596 1.193 788 1HG PRO 96 1HG PRO 96 -16.853 -6.913 3.987 789 2HG PRO 96 2HG PRO 96 -15.190 -6.803 3.339 790 1HD PRO 96 1HD PRO 96 -16.854 -4.636 3.462 791 2HD PRO 96 2HD PRO 96 -15.719 -4.852 2.096 Start of MODEL 12 1 1H GLY 1 1H GLY 1 11.201 -12.274 -0.824 2 2H GLY 1 2H GLY 1 9.821 -11.462 -0.440 3 3H GLY 1 3H GLY 1 11.225 -11.121 0.354 4 1HA GLY 1 1HA GLY 1 10.756 -9.406 -1.223 5 2HA GLY 1 2HA GLY 1 12.242 -10.281 -1.625 6 H GLU 2 H GLU 2 8.683 -10.676 -2.177 7 HA GLU 2 HA GLU 2 8.798 -10.750 -5.035 8 1HB GLU 2 1HB GLU 2 8.202 -13.184 -5.225 9 2HB GLU 2 2HB GLU 2 9.860 -12.927 -4.687 10 1HG GLU 2 1HG GLU 2 9.200 -13.385 -2.344 11 2HG GLU 2 2HG GLU 2 7.511 -13.582 -2.846 12 H TRP 3 H TRP 3 6.496 -11.834 -5.677 13 HA TRP 3 HA TRP 3 4.410 -10.418 -4.367 14 1HB TRP 3 1HB TRP 3 4.471 -12.682 -6.328 15 2HB TRP 3 2HB TRP 3 2.978 -12.281 -5.495 16 HD1 TRP 3 HD1 TRP 3 4.302 -11.664 -8.658 17 HE1 TRP 3 HE1 TRP 3 3.311 -9.590 -9.753 18 HE3 TRP 3 HE3 TRP 3 2.341 -9.373 -4.487 19 HZ2 TRP 3 HZ2 TRP 3 1.872 -7.212 -8.939 20 HZ3 TRP 3 HZ3 TRP 3 1.406 -7.097 -4.665 21 HH2 TRP 3 HH2 TRP 3 1.053 -6.055 -6.889 22 H GLU 4 H GLU 4 3.940 -10.716 -2.227 23 HA GLU 4 HA GLU 4 3.007 -13.367 -1.408 24 1HB GLU 4 1HB GLU 4 5.459 -13.396 -0.925 25 2HB GLU 4 2HB GLU 4 5.254 -11.989 0.135 26 1HG GLU 4 1HG GLU 4 3.896 -13.325 1.678 27 2HG GLU 4 2HG GLU 4 3.830 -14.668 0.515 28 H ILE 5 H ILE 5 1.906 -13.217 0.717 29 HA ILE 5 HA ILE 5 0.416 -10.683 0.892 30 HB ILE 5 HB ILE 5 -0.177 -13.221 2.391 31 1HG1 ILE 5 1HG1 ILE 5 -2.087 -13.240 0.459 32 2HG1 ILE 5 2HG1 ILE 5 -0.767 -12.555 -0.486 33 1HG2 ILE 5 1HG2 ILE 5 -1.265 -11.130 3.180 34 2HG2 ILE 5 2HG2 ILE 5 -1.983 -10.929 1.565 35 3HG2 ILE 5 3HG2 ILE 5 -2.417 -12.321 2.575 36 1HD1 ILE 5 1HD1 ILE 5 0.612 -14.590 0.081 37 2HD1 ILE 5 2HD1 ILE 5 -0.727 -15.184 1.084 38 3HD1 ILE 5 3HD1 ILE 5 -0.929 -15.026 -0.670 39 H ILE 6 H ILE 6 0.499 -9.435 2.781 40 HA ILE 6 HA ILE 6 2.660 -10.106 4.732 41 HB ILE 6 HB ILE 6 2.575 -7.706 5.272 42 1HG1 ILE 6 1HG1 ILE 6 1.107 -7.150 2.693 43 2HG1 ILE 6 2HG1 ILE 6 0.173 -7.459 4.169 44 1HG2 ILE 6 1HG2 ILE 6 4.261 -8.628 3.732 45 2HG2 ILE 6 2HG2 ILE 6 3.181 -8.349 2.351 46 3HG2 ILE 6 3HG2 ILE 6 3.824 -6.975 3.271 47 1HD1 ILE 6 1HD1 ILE 6 1.266 -5.661 5.340 48 2HD1 ILE 6 2HD1 ILE 6 2.337 -5.347 3.968 49 3HD1 ILE 6 3HD1 ILE 6 0.592 -5.051 3.816 50 H ASP 7 H ASP 7 2.282 -9.609 6.969 51 HA ASP 7 HA ASP 7 -0.324 -10.501 7.891 52 1HB ASP 7 1HB ASP 7 2.107 -9.477 9.418 53 2HB ASP 7 2HB ASP 7 0.684 -10.248 10.123 54 H ILE 8 H ILE 8 -2.011 -9.141 8.368 55 HA ILE 8 HA ILE 8 -1.758 -6.272 8.551 56 HB ILE 8 HB ILE 8 -4.063 -6.593 9.528 57 1HG1 ILE 8 1HG1 ILE 8 -3.922 -9.465 8.548 58 2HG1 ILE 8 2HG1 ILE 8 -3.739 -9.008 10.249 59 1HG2 ILE 8 1HG2 ILE 8 -3.619 -6.013 7.161 60 2HG2 ILE 8 2HG2 ILE 8 -3.573 -7.739 6.749 61 3HG2 ILE 8 3HG2 ILE 8 -5.079 -6.986 7.310 62 1HD1 ILE 8 1HD1 ILE 8 -5.983 -7.932 10.185 63 2HD1 ILE 8 2HD1 ILE 8 -6.192 -8.522 8.518 64 3HD1 ILE 8 3HD1 ILE 8 -6.012 -9.674 9.848 65 H GLY 9 H GLY 9 -1.404 -5.069 10.435 66 1HA GLY 9 1HA GLY 9 -1.451 -5.807 13.101 67 2HA GLY 9 2HA GLY 9 0.098 -6.393 12.431 68 HA PRO 10 HA PRO 10 0.036 -1.865 13.787 69 1HB PRO 10 1HB PRO 10 2.650 -1.799 14.825 70 2HB PRO 10 2HB PRO 10 1.141 -2.117 15.723 71 1HG PRO 10 1HG PRO 10 3.070 -4.131 14.564 72 2HG PRO 10 2HG PRO 10 2.285 -4.150 16.169 73 1HD PRO 10 1HD PRO 10 1.326 -5.659 14.169 74 2HD PRO 10 2HD PRO 10 0.176 -4.771 15.209 75 H PHE 11 H PHE 11 2.899 -3.421 12.249 76 HA PHE 11 HA PHE 11 3.970 -1.229 10.919 77 1HB PHE 11 1HB PHE 11 4.957 -3.496 11.048 78 2HB PHE 11 2HB PHE 11 3.728 -4.120 9.958 79 HD1 PHE 11 HD1 PHE 11 6.916 -2.378 10.223 80 HD2 PHE 11 HD2 PHE 11 3.694 -3.402 7.531 81 HE1 PHE 11 HE1 PHE 11 8.367 -1.875 8.281 82 HE2 PHE 11 HE2 PHE 11 5.118 -2.781 5.606 83 HZ PHE 11 HZ PHE 11 7.469 -2.049 5.975 84 H THR 12 H THR 12 1.531 -3.536 9.697 85 HA THR 12 HA THR 12 1.145 -2.313 7.174 86 HB THR 12 HB THR 12 -0.507 -4.241 8.772 87 HG1 THR 12 HG1 THR 12 0.843 -5.752 7.885 88 1HG2 THR 12 1HG2 THR 12 -1.771 -3.439 6.793 89 2HG2 THR 12 2HG2 THR 12 -0.349 -3.701 5.765 90 3HG2 THR 12 3HG2 THR 12 -1.192 -5.088 6.483 91 H GLN 13 H GLN 13 -0.615 -2.079 10.287 92 HA GLN 13 HA GLN 13 -2.711 -0.371 9.431 93 1HB GLN 13 1HB GLN 13 -1.296 -0.817 12.085 94 2HB GLN 13 2HB GLN 13 -2.665 0.274 11.895 95 1HG GLN 13 1HG GLN 13 -4.127 -1.527 11.182 96 2HG GLN 13 2HG GLN 13 -2.781 -2.665 11.101 97 1HE2 GLN 13 1HE2 GLN 13 -4.692 -0.647 13.383 98 2HE2 GLN 13 2HE2 GLN 13 -4.354 -1.661 14.771 99 H ASN 14 H ASN 14 0.574 0.344 10.767 100 HA ASN 14 HA ASN 14 0.402 3.145 10.733 101 1HB ASN 14 1HB ASN 14 2.273 1.949 11.766 102 2HB ASN 14 2HB ASN 14 2.829 1.383 10.195 103 1HD2 ASN 14 1HD2 ASN 14 2.505 4.287 12.238 104 2HD2 ASN 14 2HD2 ASN 14 3.617 5.246 11.275 105 H LEU 15 H LEU 15 1.471 0.924 8.089 106 HA LEU 15 HA LEU 15 1.857 3.114 6.262 107 1HB LEU 15 1HB LEU 15 1.451 0.154 5.793 108 2HB LEU 15 2HB LEU 15 1.634 1.312 4.466 109 HG LEU 15 HG LEU 15 3.686 0.821 6.666 110 1HD1 LEU 15 1HD1 LEU 15 3.398 -0.961 4.932 111 2HD1 LEU 15 2HD1 LEU 15 3.690 0.257 3.671 112 3HD1 LEU 15 3HD1 LEU 15 4.975 -0.148 4.843 113 1HD2 LEU 15 1HD2 LEU 15 3.692 2.761 4.290 114 2HD2 LEU 15 2HD2 LEU 15 3.947 3.169 6.001 115 3HD2 LEU 15 3HD2 LEU 15 5.161 2.245 5.146 116 H GLY 16 H GLY 16 -1.005 1.084 6.867 117 1HA GLY 16 1HA GLY 16 -2.738 2.182 4.900 118 2HA GLY 16 2HA GLY 16 -3.214 1.666 6.531 119 H LYS 17 H LYS 17 -2.142 3.272 8.240 120 HA LYS 17 HA LYS 17 -3.536 5.619 8.246 121 1HB LYS 17 1HB LYS 17 -1.905 4.348 10.043 122 2HB LYS 17 2HB LYS 17 -0.824 5.649 9.596 123 1HG LYS 17 1HG LYS 17 -3.554 5.867 10.886 124 2HG LYS 17 2HG LYS 17 -1.978 6.355 11.524 125 1HD LYS 17 1HD LYS 17 -1.839 8.003 9.576 126 2HD LYS 17 2HD LYS 17 -3.521 7.584 9.201 127 1HE LYS 17 1HE LYS 17 -3.589 9.611 10.468 128 2HE LYS 17 2HE LYS 17 -4.209 8.311 11.501 129 1HZ LYS 17 1HZ LYS 17 -2.053 8.233 12.552 130 2HZ LYS 17 2HZ LYS 17 -1.494 9.436 11.572 131 3HZ LYS 17 3HZ LYS 17 -2.696 9.745 12.654 132 H PHE 18 H PHE 18 -0.096 5.254 7.410 133 HA PHE 18 HA PHE 18 0.473 7.880 6.594 134 1HB PHE 18 1HB PHE 18 2.332 6.415 6.723 135 2HB PHE 18 2HB PHE 18 1.563 5.219 5.689 136 HD1 PHE 18 HD1 PHE 18 1.904 5.158 3.357 137 HD2 PHE 18 HD2 PHE 18 2.905 8.728 5.567 138 HE1 PHE 18 HE1 PHE 18 2.357 6.347 1.240 139 HE2 PHE 18 HE2 PHE 18 3.402 9.896 3.439 140 HZ PHE 18 HZ PHE 18 2.990 8.759 1.276 141 H ALA 19 H ALA 19 -0.911 5.217 4.669 142 HA ALA 19 HA ALA 19 -0.998 6.585 2.198 143 1HB ALA 19 1HB ALA 19 -1.439 4.131 2.555 144 2HB ALA 19 2HB ALA 19 -3.057 4.546 3.146 145 3HB ALA 19 3HB ALA 19 -2.605 4.942 1.484 146 H VAL 20 H VAL 20 -3.440 6.365 4.792 147 HA VAL 20 HA VAL 20 -5.289 8.170 3.487 148 HB VAL 20 HB VAL 20 -5.042 7.417 6.415 149 1HG1 VAL 20 1HG1 VAL 20 -6.299 9.499 6.278 150 2HG1 VAL 20 2HG1 VAL 20 -7.229 8.903 4.886 151 3HG1 VAL 20 3HG1 VAL 20 -7.464 8.193 6.492 152 1HG2 VAL 20 1HG2 VAL 20 -7.058 5.992 5.792 153 2HG2 VAL 20 2HG2 VAL 20 -6.757 6.394 4.095 154 3HG2 VAL 20 3HG2 VAL 20 -5.545 5.487 5.027 155 H ASP 21 H ASP 21 -2.610 8.711 5.803 156 HA ASP 21 HA ASP 21 -3.179 11.417 6.381 157 1HB ASP 21 1HB ASP 21 -1.637 10.142 7.730 158 2HB ASP 21 2HB ASP 21 -0.562 9.862 6.357 159 H GLU 22 H GLU 22 -1.125 9.930 3.886 160 HA GLU 22 HA GLU 22 -0.274 12.347 2.635 161 1HB GLU 22 1HB GLU 22 0.793 10.090 2.412 162 2HB GLU 22 2HB GLU 22 -0.585 9.544 1.453 163 1HG GLU 22 1HG GLU 22 1.241 10.153 -0.029 164 2HG GLU 22 2HG GLU 22 -0.058 11.330 -0.247 165 H GLU 23 H GLU 23 -2.940 10.033 1.913 166 HA GLU 23 HA GLU 23 -3.963 11.336 -0.354 167 1HB GLU 23 1HB GLU 23 -4.549 9.049 0.599 168 2HB GLU 23 2HB GLU 23 -5.620 9.871 1.746 169 1HG GLU 23 1HG GLU 23 -5.770 10.000 -1.306 170 2HG GLU 23 2HG GLU 23 -6.752 8.967 -0.258 171 H ASN 24 H ASN 24 -4.728 11.826 3.122 172 HA ASN 24 HA ASN 24 -6.662 13.860 2.842 173 1HB ASN 24 1HB ASN 24 -4.747 13.016 5.066 174 2HB ASN 24 2HB ASN 24 -5.896 14.325 5.222 175 1HD2 ASN 24 1HD2 ASN 24 -6.371 12.691 7.111 176 2HD2 ASN 24 2HD2 ASN 24 -7.700 11.590 6.770 177 H LYS 25 H LYS 25 -3.098 13.946 3.312 178 HA LYS 25 HA LYS 25 -2.790 16.730 3.560 179 1HB LYS 25 1HB LYS 25 -1.050 14.983 3.979 180 2HB LYS 25 2HB LYS 25 -0.889 14.753 2.231 181 1HG LYS 25 1HG LYS 25 -0.198 17.158 2.026 182 2HG LYS 25 2HG LYS 25 -0.296 17.290 3.795 183 1HD LYS 25 1HD LYS 25 1.400 15.444 3.993 184 2HD LYS 25 2HD LYS 25 1.451 15.323 2.229 185 1HE LYS 25 1HE LYS 25 3.370 16.591 2.968 186 2HE LYS 25 2HE LYS 25 2.279 17.673 2.087 187 1HZ LYS 25 1HZ LYS 25 1.480 18.466 4.200 188 2HZ LYS 25 2HZ LYS 25 2.475 17.434 5.012 189 3HZ LYS 25 3HZ LYS 25 3.114 18.650 4.103 190 H ILE 26 H ILE 26 -2.824 14.674 0.617 191 HA ILE 26 HA ILE 26 -2.549 16.901 -1.215 192 HB ILE 26 HB ILE 26 -3.587 14.074 -1.634 193 1HG1 ILE 26 1HG1 ILE 26 -0.860 15.269 -2.331 194 2HG1 ILE 26 2HG1 ILE 26 -1.152 14.384 -0.840 195 1HG2 ILE 26 1HG2 ILE 26 -4.357 15.668 -3.415 196 2HG2 ILE 26 2HG2 ILE 26 -2.677 16.152 -3.685 197 3HG2 ILE 26 3HG2 ILE 26 -3.205 14.494 -4.042 198 1HD1 ILE 26 1HD1 ILE 26 -1.862 12.388 -2.138 199 2HD1 ILE 26 2HD1 ILE 26 -1.404 13.233 -3.637 200 3HD1 ILE 26 3HD1 ILE 26 -0.178 12.875 -2.413 201 H GLY 27 H GLY 27 -5.357 15.015 -0.022 202 1HA GLY 27 1HA GLY 27 -7.403 15.826 0.576 203 2HA GLY 27 2HA GLY 27 -7.097 17.359 -0.240 204 H GLN 28 H GLN 28 -6.488 14.492 -2.129 205 HA GLN 28 HA GLN 28 -8.249 15.184 -4.203 206 1HB GLN 28 1HB GLN 28 -6.837 12.641 -3.392 207 2HB GLN 28 2HB GLN 28 -8.056 12.541 -4.658 208 1HG GLN 28 1HG GLN 28 -5.772 14.541 -4.755 209 2HG GLN 28 2HG GLN 28 -5.651 12.897 -5.403 210 1HE2 GLN 28 1HE2 GLN 28 -5.148 14.597 -7.311 211 2HE2 GLN 28 2HE2 GLN 28 -6.551 14.880 -8.327 212 H TYR 29 H TYR 29 -8.827 12.984 -1.467 213 HA TYR 29 HA TYR 29 -11.788 13.106 -2.053 214 1HB TYR 29 1HB TYR 29 -10.114 10.923 -0.777 215 2HB TYR 29 2HB TYR 29 -11.862 11.058 -0.628 216 HD1 TYR 29 HD1 TYR 29 -9.170 10.729 -3.230 217 HD2 TYR 29 HD2 TYR 29 -13.295 10.053 -2.168 218 HE1 TYR 29 HE1 TYR 29 -9.447 9.247 -5.205 219 HE2 TYR 29 HE2 TYR 29 -13.550 8.547 -4.113 220 HH TYR 29 HH TYR 29 -12.322 7.225 -5.628 221 H GLY 30 H GLY 30 -10.310 15.184 -0.778 222 1HA GLY 30 1HA GLY 30 -10.449 16.536 1.087 223 2HA GLY 30 2HA GLY 30 -11.909 15.637 1.537 224 H ARG 31 H ARG 31 -11.517 15.296 3.716 225 HA ARG 31 HA ARG 31 -8.965 14.016 4.585 226 1HB ARG 31 1HB ARG 31 -10.982 15.765 6.041 227 2HB ARG 31 2HB ARG 31 -9.661 14.886 6.809 228 1HG ARG 31 1HG ARG 31 -8.000 16.163 5.483 229 2HG ARG 31 2HG ARG 31 -9.309 17.008 4.640 230 1HD ARG 31 1HD ARG 31 -8.414 18.417 6.434 231 2HD ARG 31 2HD ARG 31 -10.102 17.966 6.757 232 HE ARG 31 HE ARG 31 -8.230 16.121 7.966 233 1HH1 ARG 31 1HH1 ARG 31 -9.650 19.324 8.397 234 2HH1 ARG 31 2HH1 ARG 31 -9.530 19.304 10.135 235 1HH2 ARG 31 1HH2 ARG 31 -8.063 16.075 10.235 236 2HH2 ARG 31 2HH2 ARG 31 -8.594 17.427 11.196 237 H LEU 32 H LEU 32 -9.304 11.817 4.819 238 HA LEU 32 HA LEU 32 -11.933 10.878 5.891 239 1HB LEU 32 1HB LEU 32 -9.708 9.278 4.584 240 2HB LEU 32 2HB LEU 32 -11.267 8.687 5.167 241 HG LEU 32 HG LEU 32 -12.090 10.738 3.506 242 1HD1 LEU 32 1HD1 LEU 32 -9.801 11.136 2.672 243 2HD1 LEU 32 2HD1 LEU 32 -9.655 9.422 2.213 244 3HD1 LEU 32 3HD1 LEU 32 -10.834 10.467 1.403 245 1HD2 LEU 32 1HD2 LEU 32 -11.600 7.825 2.777 246 2HD2 LEU 32 2HD2 LEU 32 -13.038 8.484 3.595 247 3HD2 LEU 32 3HD2 LEU 32 -12.685 8.950 1.921 248 H THR 33 H THR 33 -11.985 9.370 7.576 249 HA THR 33 HA THR 33 -9.815 9.692 9.584 250 HB THR 33 HB THR 33 -12.651 8.596 9.821 251 HG1 THR 33 HG1 THR 33 -12.416 10.881 9.403 252 1HG2 THR 33 1HG2 THR 33 -11.138 7.654 11.552 253 2HG2 THR 33 2HG2 THR 33 -10.567 9.293 11.946 254 3HG2 THR 33 3HG2 THR 33 -12.254 8.837 12.254 255 H PHE 34 H PHE 34 -8.242 8.216 8.934 256 HA PHE 34 HA PHE 34 -8.598 5.675 7.814 257 1HB PHE 34 1HB PHE 34 -6.430 6.550 8.015 258 2HB PHE 34 2HB PHE 34 -6.530 6.704 9.773 259 HD1 PHE 34 HD1 PHE 34 -5.785 4.905 11.161 260 HD2 PHE 34 HD2 PHE 34 -6.648 4.115 7.009 261 HE1 PHE 34 HE1 PHE 34 -4.504 2.789 11.290 262 HE2 PHE 34 HE2 PHE 34 -5.483 1.955 7.184 263 HZ PHE 34 HZ PHE 34 -4.300 1.340 9.285 264 H ASN 35 H ASN 35 -9.274 3.780 8.516 265 HA ASN 35 HA ASN 35 -10.171 3.480 11.377 266 1HB ASN 35 1HB ASN 35 -11.219 2.277 8.800 267 2HB ASN 35 2HB ASN 35 -11.456 1.502 10.363 268 1HD2 ASN 35 1HD2 ASN 35 -11.591 5.102 9.637 269 2HD2 ASN 35 2HD2 ASN 35 -13.258 5.188 10.162 270 H LYS 36 H LYS 36 -8.867 1.503 8.614 271 HA LYS 36 HA LYS 36 -6.651 0.510 10.035 272 1HB LYS 36 1HB LYS 36 -7.346 -1.817 10.513 273 2HB LYS 36 2HB LYS 36 -8.133 -0.633 11.519 274 1HG LYS 36 1HG LYS 36 -10.162 -0.754 9.986 275 2HG LYS 36 2HG LYS 36 -9.366 -2.116 9.166 276 1HD LYS 36 1HD LYS 36 -9.214 -3.310 11.357 277 2HD LYS 36 2HD LYS 36 -9.988 -1.926 12.155 278 1HE LYS 36 1HE LYS 36 -12.013 -2.260 10.710 279 2HE LYS 36 2HE LYS 36 -11.248 -3.710 10.025 280 1HZ LYS 36 1HZ LYS 36 -11.187 -4.624 12.240 281 2HZ LYS 36 2HZ LYS 36 -11.907 -3.276 12.856 282 3HZ LYS 36 3HZ LYS 36 -12.731 -4.243 11.808 283 H VAL 37 H VAL 37 -6.407 -2.050 8.792 284 HA VAL 37 HA VAL 37 -6.893 -1.591 5.904 285 HB VAL 37 HB VAL 37 -4.346 -2.752 7.141 286 1HG1 VAL 37 1HG1 VAL 37 -4.970 -3.705 4.914 287 2HG1 VAL 37 2HG1 VAL 37 -4.998 -2.063 4.242 288 3HG1 VAL 37 3HG1 VAL 37 -3.483 -2.756 4.854 289 1HG2 VAL 37 1HG2 VAL 37 -4.783 -0.061 5.786 290 2HG2 VAL 37 2HG2 VAL 37 -4.302 -0.335 7.479 291 3HG2 VAL 37 3HG2 VAL 37 -3.195 -0.764 6.169 292 H ILE 38 H ILE 38 -7.480 -3.601 4.876 293 HA ILE 38 HA ILE 38 -7.385 -6.022 6.560 294 HB ILE 38 HB ILE 38 -9.690 -6.671 6.005 295 1HG1 ILE 38 1HG1 ILE 38 -11.343 -4.819 5.553 296 2HG1 ILE 38 2HG1 ILE 38 -10.006 -3.797 5.021 297 1HG2 ILE 38 1HG2 ILE 38 -9.062 -5.689 8.196 298 2HG2 ILE 38 2HG2 ILE 38 -9.567 -4.093 7.598 299 3HG2 ILE 38 3HG2 ILE 38 -10.749 -5.403 7.750 300 1HD1 ILE 38 1HD1 ILE 38 -10.672 -6.535 3.832 301 2HD1 ILE 38 2HD1 ILE 38 -11.337 -5.018 3.221 302 3HD1 ILE 38 3HD1 ILE 38 -9.594 -5.296 3.135 303 H ARG 39 H ARG 39 -7.913 -7.964 5.303 304 HA ARG 39 HA ARG 39 -6.013 -8.101 3.232 305 1HB ARG 39 1HB ARG 39 -6.928 -10.478 2.958 306 2HB ARG 39 2HB ARG 39 -6.246 -10.017 4.520 307 1HG ARG 39 1HG ARG 39 -8.425 -9.842 5.525 308 2HG ARG 39 2HG ARG 39 -9.243 -9.974 3.951 309 1HD ARG 39 1HD ARG 39 -8.536 -12.266 3.707 310 2HD ARG 39 2HD ARG 39 -7.427 -12.137 5.095 311 HE ARG 39 HE ARG 39 -10.002 -11.512 6.033 312 1HH1 ARG 39 1HH1 ARG 39 -8.301 -14.289 4.676 313 2HH1 ARG 39 2HH1 ARG 39 -9.175 -15.470 5.610 314 1HH2 ARG 39 1HH2 ARG 39 -11.138 -13.038 7.292 315 2HH2 ARG 39 2HH2 ARG 39 -10.821 -14.743 7.125 316 HA PRO 40 HA PRO 40 -5.665 -9.643 1.307 317 1HB PRO 40 1HB PRO 40 -4.894 -9.117 -1.240 318 2HB PRO 40 2HB PRO 40 -6.213 -10.261 -0.854 319 1HG PRO 40 1HG PRO 40 -6.465 -7.351 -1.634 320 2HG PRO 40 2HG PRO 40 -7.327 -8.740 -2.354 321 1HD PRO 40 1HD PRO 40 -8.485 -7.212 -0.403 322 2HD PRO 40 2HD PRO 40 -8.715 -8.980 -0.429 323 H CYS 41 H CYS 41 -3.462 -9.038 1.475 324 HA CYS 41 HA CYS 41 -2.736 -6.200 1.090 325 1HB CYS 41 1HB CYS 41 -2.204 -7.816 3.644 326 2HB CYS 41 2HB CYS 41 -1.604 -6.200 3.228 327 HG CYS 41 HG CYS 41 -4.373 -5.596 2.715 328 H MET 42 H MET 42 -1.398 -6.698 -0.653 329 HA MET 42 HA MET 42 0.553 -8.941 -0.328 330 1HB MET 42 1HB MET 42 -1.094 -7.978 -2.647 331 2HB MET 42 2HB MET 42 0.575 -8.453 -2.976 332 1HG MET 42 1HG MET 42 0.264 -10.615 -1.963 333 2HG MET 42 2HG MET 42 -1.430 -10.234 -1.591 334 1HE MET 42 1HE MET 42 -0.178 -12.805 -3.208 335 2HE MET 42 2HE MET 42 -1.900 -12.644 -2.772 336 3HE MET 42 3HE MET 42 -1.434 -12.999 -4.451 337 H LYS 43 H LYS 43 2.686 -8.637 -1.160 338 HA LYS 43 HA LYS 43 3.351 -5.860 -1.899 339 1HB LYS 43 1HB LYS 43 5.110 -5.635 -0.464 340 2HB LYS 43 2HB LYS 43 3.960 -6.498 0.571 341 1HG LYS 43 1HG LYS 43 5.184 -8.641 0.030 342 2HG LYS 43 2HG LYS 43 6.330 -7.699 -0.942 343 1HD LYS 43 1HD LYS 43 6.747 -6.266 1.163 344 2HD LYS 43 2HD LYS 43 5.876 -7.524 2.052 345 1HE LYS 43 1HE LYS 43 8.212 -8.018 2.241 346 2HE LYS 43 2HE LYS 43 7.546 -9.209 1.110 347 1HZ LYS 43 1HZ LYS 43 8.395 -7.853 -0.682 348 2HZ LYS 43 2HZ LYS 43 8.967 -6.732 0.381 349 3HZ LYS 43 3HZ LYS 43 9.613 -8.247 0.356 350 H LYS 44 H LYS 44 5.171 -5.655 -3.221 351 HA LYS 44 HA LYS 44 6.197 -8.091 -4.578 352 1HB LYS 44 1HB LYS 44 4.403 -6.957 -5.935 353 2HB LYS 44 2HB LYS 44 5.362 -5.473 -5.902 354 1HG LYS 44 1HG LYS 44 7.209 -6.706 -7.103 355 2HG LYS 44 2HG LYS 44 6.159 -8.144 -7.145 356 1HD LYS 44 1HD LYS 44 4.510 -6.853 -8.490 357 2HD LYS 44 2HD LYS 44 5.500 -5.402 -8.331 358 1HE LYS 44 1HE LYS 44 5.866 -6.390 -10.521 359 2HE LYS 44 2HE LYS 44 7.352 -6.518 -9.567 360 1HZ LYS 44 1HZ LYS 44 6.791 -8.789 -9.106 361 2HZ LYS 44 2HZ LYS 44 5.383 -8.664 -9.953 362 3HZ LYS 44 3HZ LYS 44 6.830 -8.536 -10.732 363 H THR 45 H THR 45 8.399 -7.739 -5.360 364 HA THR 45 HA THR 45 9.868 -5.458 -4.115 365 HB THR 45 HB THR 45 10.816 -8.148 -5.169 366 HG1 THR 45 HG1 THR 45 9.619 -7.971 -3.149 367 1HG2 THR 45 1HG2 THR 45 12.598 -6.518 -5.506 368 2HG2 THR 45 2HG2 THR 45 12.342 -5.835 -3.889 369 3HG2 THR 45 3HG2 THR 45 12.973 -7.487 -4.072 370 H ILE 46 H ILE 46 10.804 -3.952 -5.429 371 HA ILE 46 HA ILE 46 10.475 -4.263 -8.362 372 HB ILE 46 HB ILE 46 9.754 -2.151 -6.551 373 1HG1 ILE 46 1HG1 ILE 46 8.394 -1.454 -8.496 374 2HG1 ILE 46 2HG1 ILE 46 9.213 -2.636 -9.510 375 1HG2 ILE 46 1HG2 ILE 46 11.778 -0.984 -7.279 376 2HG2 ILE 46 2HG2 ILE 46 11.379 -1.312 -8.984 377 3HG2 ILE 46 3HG2 ILE 46 10.353 -0.250 -8.002 378 1HD1 ILE 46 1HD1 ILE 46 8.219 -4.480 -8.300 379 2HD1 ILE 46 2HD1 ILE 46 7.684 -3.418 -6.985 380 3HD1 ILE 46 3HD1 ILE 46 6.930 -3.306 -8.590 381 H TYR 47 H TYR 47 12.152 -4.254 -9.645 382 HA TYR 47 HA TYR 47 14.733 -3.193 -8.861 383 1HB TYR 47 1HB TYR 47 15.881 -5.289 -9.203 384 2HB TYR 47 2HB TYR 47 14.615 -5.589 -8.014 385 HD1 TYR 47 HD1 TYR 47 12.551 -6.859 -8.673 386 HD2 TYR 47 HD2 TYR 47 15.979 -6.467 -11.263 387 HE1 TYR 47 HE1 TYR 47 11.833 -8.854 -9.924 388 HE2 TYR 47 HE2 TYR 47 15.252 -8.459 -12.527 389 HH TYR 47 HH TYR 47 12.282 -10.277 -11.693 390 H GLU 48 H GLU 48 16.173 -3.575 -10.784 391 HA GLU 48 HA GLU 48 16.756 -3.458 -12.908 392 1HB GLU 48 1HB GLU 48 15.309 -5.185 -13.587 393 2HB GLU 48 2HB GLU 48 13.907 -4.086 -13.649 394 1HG GLU 48 1HG GLU 48 14.747 -2.882 -15.523 395 2HG GLU 48 2HG GLU 48 16.293 -3.739 -15.482 396 H ASN 49 H ASN 49 16.956 -1.957 -14.465 397 HA ASN 49 HA ASN 49 15.298 0.054 -15.046 398 1HB ASN 49 1HB ASN 49 15.718 1.062 -12.861 399 2HB ASN 49 2HB ASN 49 17.466 0.995 -13.084 400 1HD2 ASN 49 1HD2 ASN 49 18.427 2.458 -14.781 401 2HD2 ASN 49 2HD2 ASN 49 17.539 3.915 -15.187 402 H GLU 50 H GLU 50 18.832 -0.083 -14.453 403 HA GLU 50 HA GLU 50 19.386 0.554 -17.283 404 1HB GLU 50 1HB GLU 50 21.736 0.405 -16.562 405 2HB GLU 50 2HB GLU 50 20.831 1.611 -15.656 406 1HG GLU 50 1HG GLU 50 20.779 0.245 -13.677 407 2HG GLU 50 2HG GLU 50 21.270 -1.202 -14.567 408 H GLY 51 H GLY 51 21.094 -0.955 -18.285 409 1HA GLY 51 1HA GLY 51 20.072 -3.497 -18.786 410 2HA GLY 51 2HA GLY 51 21.753 -3.009 -19.064 411 H PHE 52 H PHE 52 22.527 -2.512 -16.411 412 HA PHE 52 HA PHE 52 22.781 -5.243 -15.353 413 1HB PHE 52 1HB PHE 52 24.570 -3.274 -15.375 414 2HB PHE 52 2HB PHE 52 23.833 -2.877 -13.834 415 HD1 PHE 52 HD1 PHE 52 24.010 -4.469 -11.925 416 HD2 PHE 52 HD2 PHE 52 25.715 -5.407 -15.774 417 HE1 PHE 52 HE1 PHE 52 25.303 -6.330 -10.908 418 HE2 PHE 52 HE2 PHE 52 26.988 -7.273 -14.757 419 HZ PHE 52 HZ PHE 52 26.793 -7.733 -12.321 420 H ARG 53 H ARG 53 20.460 -5.359 -15.246 421 HA ARG 53 HA ARG 53 18.576 -4.074 -13.783 422 1HB ARG 53 1HB ARG 53 19.170 -7.082 -13.805 423 2HB ARG 53 2HB ARG 53 17.611 -6.405 -13.332 424 1HG ARG 53 1HG ARG 53 17.052 -5.809 -15.513 425 2HG ARG 53 2HG ARG 53 18.713 -5.778 -16.097 426 1HD ARG 53 1HD ARG 53 18.847 -8.226 -15.866 427 2HD ARG 53 2HD ARG 53 17.154 -8.265 -15.299 428 HE ARG 53 HE ARG 53 17.134 -6.883 -17.726 429 1HH1 ARG 53 1HH1 ARG 53 17.975 -10.123 -16.614 430 2HH1 ARG 53 2HH1 ARG 53 17.643 -10.897 -18.141 431 1HH2 ARG 53 1HH2 ARG 53 16.686 -7.869 -19.727 432 2HH2 ARG 53 2HH2 ARG 53 16.889 -9.585 -19.947 433 H GLU 54 H GLU 54 18.341 -3.539 -11.514 434 HA GLU 54 HA GLU 54 19.676 -5.126 -9.486 435 1HB GLU 54 1HB GLU 54 20.803 -3.070 -8.603 436 2HB GLU 54 2HB GLU 54 21.404 -3.580 -10.193 437 1HG GLU 54 1HG GLU 54 20.001 -1.842 -11.291 438 2HG GLU 54 2HG GLU 54 19.416 -1.315 -9.702 439 H ILE 55 H ILE 55 18.908 -4.683 -7.339 440 HA ILE 55 HA ILE 55 16.105 -4.165 -7.189 441 HB ILE 55 HB ILE 55 18.229 -4.444 -5.053 442 1HG1 ILE 55 1HG1 ILE 55 16.049 -6.391 -5.953 443 2HG1 ILE 55 2HG1 ILE 55 17.690 -6.426 -6.601 444 1HG2 ILE 55 1HG2 ILE 55 16.336 -3.173 -4.112 445 2HG2 ILE 55 2HG2 ILE 55 15.186 -4.357 -4.772 446 3HG2 ILE 55 3HG2 ILE 55 16.313 -4.806 -3.477 447 1HD1 ILE 55 1HD1 ILE 55 18.593 -6.772 -4.307 448 2HD1 ILE 55 2HD1 ILE 55 16.926 -6.921 -3.703 449 3HD1 ILE 55 3HD1 ILE 55 17.544 -8.079 -4.886 450 H LYS 56 H LYS 56 14.933 -2.393 -6.663 451 HA LYS 56 HA LYS 56 16.428 0.139 -6.034 452 1HB LYS 56 1HB LYS 56 14.196 -0.314 -8.049 453 2HB LYS 56 2HB LYS 56 14.702 1.274 -7.439 454 1HG LYS 56 1HG LYS 56 16.998 0.910 -8.273 455 2HG LYS 56 2HG LYS 56 16.561 -0.705 -8.820 456 1HD LYS 56 1HD LYS 56 16.590 0.834 -10.691 457 2HD LYS 56 2HD LYS 56 14.979 0.156 -10.437 458 1HE LYS 56 1HE LYS 56 14.907 2.567 -11.012 459 2HE LYS 56 2HE LYS 56 14.180 2.238 -9.439 460 1HZ LYS 56 1HZ LYS 56 16.213 2.965 -8.415 461 2HZ LYS 56 2HZ LYS 56 16.906 3.249 -9.885 462 3HZ LYS 56 3HZ LYS 56 15.610 4.143 -9.395 463 H GLY 57 H GLY 57 13.391 -1.790 -5.589 464 1HA GLY 57 1HA GLY 57 12.798 -0.323 -3.157 465 2HA GLY 57 2HA GLY 57 11.874 0.242 -4.576 466 H TYR 58 H TYR 58 10.053 -0.494 -3.172 467 HA TYR 58 HA TYR 58 9.262 -3.221 -3.920 468 1HB TYR 58 1HB TYR 58 8.902 -2.202 -1.086 469 2HB TYR 58 2HB TYR 58 8.511 -3.776 -1.716 470 HD1 TYR 58 HD1 TYR 58 11.386 -1.543 -0.830 471 HD2 TYR 58 HD2 TYR 58 10.120 -5.566 -1.716 472 HE1 TYR 58 HE1 TYR 58 13.673 -2.364 -0.372 473 HE2 TYR 58 HE2 TYR 58 12.405 -6.385 -1.253 474 HH TYR 58 HH TYR 58 14.582 -5.795 -0.746 475 H GLU 59 H GLU 59 6.960 -3.467 -3.595 476 HA GLU 59 HA GLU 59 5.369 -0.956 -3.531 477 1HB GLU 59 1HB GLU 59 5.550 -2.945 -5.758 478 2HB GLU 59 2HB GLU 59 3.911 -2.587 -5.214 479 1HG GLU 59 1HG GLU 59 4.485 -1.094 -7.025 480 2HG GLU 59 2HG GLU 59 4.237 -0.196 -5.524 481 H TYR 60 H TYR 60 3.377 -1.197 -2.479 482 HA TYR 60 HA TYR 60 2.727 -3.878 -1.321 483 1HB TYR 60 1HB TYR 60 2.951 -1.225 0.089 484 2HB TYR 60 2HB TYR 60 1.924 -2.517 0.670 485 HD1 TYR 60 HD1 TYR 60 2.752 -3.757 2.404 486 HD2 TYR 60 HD2 TYR 60 5.550 -2.112 -0.431 487 HE1 TYR 60 HE1 TYR 60 4.636 -4.482 3.830 488 HE2 TYR 60 HE2 TYR 60 7.420 -2.946 0.932 489 HH TYR 60 HH TYR 60 6.926 -4.363 4.162 490 H GLN 61 H GLN 61 0.696 -4.361 -1.794 491 HA GLN 61 HA GLN 61 -1.190 -2.256 -2.780 492 1HB GLN 61 1HB GLN 61 -0.378 -3.752 -4.545 493 2HB GLN 61 2HB GLN 61 -0.901 -5.173 -3.636 494 1HG GLN 61 1HG GLN 61 -2.815 -2.958 -4.498 495 2HG GLN 61 2HG GLN 61 -2.394 -4.318 -5.540 496 1HE2 GLN 61 1HE2 GLN 61 -4.346 -3.362 -2.774 497 2HE2 GLN 61 2HE2 GLN 61 -5.102 -4.932 -2.583 498 H LEU 62 H LEU 62 -2.816 -1.968 -1.239 499 HA LEU 62 HA LEU 62 -3.857 -4.331 0.145 500 1HB LEU 62 1HB LEU 62 -3.374 -3.299 2.426 501 2HB LEU 62 2HB LEU 62 -2.062 -4.078 1.557 502 HG LEU 62 HG LEU 62 -1.262 -1.771 0.798 503 1HD1 LEU 62 1HD1 LEU 62 -3.264 -0.451 1.354 504 2HD1 LEU 62 2HD1 LEU 62 -3.113 -0.913 3.066 505 3HD1 LEU 62 3HD1 LEU 62 -1.874 0.098 2.297 506 1HD2 LEU 62 1HD2 LEU 62 -1.216 -2.518 3.739 507 2HD2 LEU 62 2HD2 LEU 62 -0.123 -3.122 2.473 508 3HD2 LEU 62 3HD2 LEU 62 -0.089 -1.411 2.924 509 H TYR 63 H TYR 63 -5.783 -3.996 1.363 510 HA TYR 63 HA TYR 63 -7.376 -1.805 0.214 511 1HB TYR 63 1HB TYR 63 -7.934 -4.530 1.349 512 2HB TYR 63 2HB TYR 63 -9.174 -3.300 1.298 513 HD1 TYR 63 HD1 TYR 63 -6.694 -5.044 -0.907 514 HD2 TYR 63 HD2 TYR 63 -10.386 -2.836 -0.709 515 HE1 TYR 63 HE1 TYR 63 -7.173 -5.597 -3.293 516 HE2 TYR 63 HE2 TYR 63 -10.905 -3.470 -3.029 517 HH TYR 63 HH TYR 63 -10.199 -4.613 -4.902 518 H VAL 64 H VAL 64 -7.348 -0.030 1.325 519 HA VAL 64 HA VAL 64 -6.850 0.085 4.223 520 HB VAL 64 HB VAL 64 -7.134 2.241 2.081 521 1HG1 VAL 64 1HG1 VAL 64 -7.640 3.141 4.328 522 2HG1 VAL 64 2HG1 VAL 64 -6.139 2.422 4.956 523 3HG1 VAL 64 3HG1 VAL 64 -6.074 3.715 3.741 524 1HG2 VAL 64 1HG2 VAL 64 -4.656 1.028 3.378 525 2HG2 VAL 64 2HG2 VAL 64 -5.155 0.856 1.679 526 3HG2 VAL 64 3HG2 VAL 64 -4.663 2.437 2.298 527 H TYR 65 H TYR 65 -8.459 0.509 5.659 528 HA TYR 65 HA TYR 65 -11.190 1.105 4.672 529 1HB TYR 65 1HB TYR 65 -10.199 -0.786 6.530 530 2HB TYR 65 2HB TYR 65 -10.924 0.453 7.526 531 HD1 TYR 65 HD1 TYR 65 -11.667 -2.591 6.775 532 HD2 TYR 65 HD2 TYR 65 -13.272 1.298 5.816 533 HE1 TYR 65 HE1 TYR 65 -13.888 -3.605 6.341 534 HE2 TYR 65 HE2 TYR 65 -15.466 0.258 5.318 535 HH TYR 65 HH TYR 65 -16.739 -1.639 5.498 536 H ALA 66 H ALA 66 -11.765 3.216 4.826 537 HA ALA 66 HA ALA 66 -10.774 4.894 7.069 538 1HB ALA 66 1HB ALA 66 -9.198 5.188 5.150 539 2HB ALA 66 2HB ALA 66 -10.567 5.668 4.128 540 3HB ALA 66 3HB ALA 66 -10.110 6.659 5.534 541 H SER 67 H SER 67 -12.391 6.120 7.853 542 HA SER 67 HA SER 67 -14.499 6.841 8.221 543 1HB SER 67 1HB SER 67 -13.545 8.183 6.037 544 2HB SER 67 2HB SER 67 -15.025 7.512 5.349 545 HG SER 67 HG SER 67 -15.527 9.451 6.341 546 H ASP 68 H ASP 68 -14.307 4.114 7.917 547 HA ASP 68 HA ASP 68 -15.238 2.183 7.309 548 1HB ASP 68 1HB ASP 68 -16.866 3.062 8.970 549 2HB ASP 68 2HB ASP 68 -17.851 3.696 7.637 550 H LYS 69 H LYS 69 -14.427 3.725 5.031 551 HA LYS 69 HA LYS 69 -16.072 2.306 2.997 552 1HB LYS 69 1HB LYS 69 -14.729 5.038 2.879 553 2HB LYS 69 2HB LYS 69 -15.172 4.131 1.433 554 1HG LYS 69 1HG LYS 69 -17.145 5.004 3.595 555 2HG LYS 69 2HG LYS 69 -16.808 5.887 2.097 556 1HD LYS 69 1HD LYS 69 -17.456 3.766 0.812 557 2HD LYS 69 2HD LYS 69 -18.058 3.117 2.357 558 1HE LYS 69 1HE LYS 69 -19.597 5.041 2.574 559 2HE LYS 69 2HE LYS 69 -18.994 5.708 1.042 560 1HZ LYS 69 1HZ LYS 69 -19.779 3.739 -0.055 561 2HZ LYS 69 2HZ LYS 69 -20.351 3.125 1.365 562 3HZ LYS 69 3HZ LYS 69 -21.010 4.498 0.734 563 H LEU 70 H LEU 70 -14.856 1.067 1.614 564 HA LEU 70 HA LEU 70 -12.071 0.624 2.493 565 1HB LEU 70 1HB LEU 70 -13.831 -1.215 2.538 566 2HB LEU 70 2HB LEU 70 -13.848 -1.121 0.779 567 HG LEU 70 HG LEU 70 -11.270 -1.515 0.939 568 1HD1 LEU 70 1HD1 LEU 70 -10.519 -2.695 2.970 569 2HD1 LEU 70 2HD1 LEU 70 -11.088 -1.094 3.418 570 3HD1 LEU 70 3HD1 LEU 70 -12.121 -2.505 3.700 571 1HD2 LEU 70 1HD2 LEU 70 -13.206 -3.707 1.809 572 2HD2 LEU 70 2HD2 LEU 70 -12.887 -3.215 0.131 573 3HD2 LEU 70 3HD2 LEU 70 -11.605 -3.968 1.091 574 H PHE 71 H PHE 71 -10.419 1.196 1.196 575 HA PHE 71 HA PHE 71 -10.881 1.835 -1.692 576 1HB PHE 71 1HB PHE 71 -9.263 3.309 0.428 577 2HB PHE 71 2HB PHE 71 -9.009 3.520 -1.295 578 HD1 PHE 71 HD1 PHE 71 -11.530 3.991 1.437 579 HD2 PHE 71 HD2 PHE 71 -10.343 4.972 -2.591 580 HE1 PHE 71 HE1 PHE 71 -13.148 5.872 1.403 581 HE2 PHE 71 HE2 PHE 71 -12.016 6.781 -2.647 582 HZ PHE 71 HZ PHE 71 -13.418 7.253 -0.646 583 H ARG 72 H ARG 72 -9.217 1.121 -3.039 584 HA ARG 72 HA ARG 72 -7.287 -0.800 -1.824 585 1HB ARG 72 1HB ARG 72 -8.643 -1.598 -3.689 586 2HB ARG 72 2HB ARG 72 -8.024 -0.313 -4.727 587 1HG ARG 72 1HG ARG 72 -5.966 -1.994 -3.293 588 2HG ARG 72 2HG ARG 72 -6.930 -2.842 -4.501 589 1HD ARG 72 1HD ARG 72 -5.359 -0.292 -5.087 590 2HD ARG 72 2HD ARG 72 -4.836 -1.956 -5.434 591 HE ARG 72 HE ARG 72 -7.454 -1.460 -6.464 592 1HH1 ARG 72 1HH1 ARG 72 -4.062 -0.782 -7.154 593 2HH1 ARG 72 2HH1 ARG 72 -4.246 -0.818 -8.887 594 1HH2 ARG 72 1HH2 ARG 72 -7.725 -1.528 -8.731 595 2HH2 ARG 72 2HH2 ARG 72 -6.389 -1.211 -9.800 596 H ALA 73 H ALA 73 -5.237 -0.099 -1.506 597 HA ALA 73 HA ALA 73 -4.342 2.410 -2.867 598 1HB ALA 73 1HB ALA 73 -4.832 2.747 -0.442 599 2HB ALA 73 2HB ALA 73 -3.635 1.484 -0.064 600 3HB ALA 73 3HB ALA 73 -3.122 2.984 -0.864 601 H ASP 74 H ASP 74 -2.242 2.457 -3.553 602 HA ASP 74 HA ASP 74 -0.580 0.024 -3.185 603 1HB ASP 74 1HB ASP 74 -1.453 0.093 -5.485 604 2HB ASP 74 2HB ASP 74 -0.662 1.662 -5.732 605 H ILE 75 H ILE 75 1.216 0.507 -2.219 606 HA ILE 75 HA ILE 75 2.153 3.327 -1.906 607 HB ILE 75 HB ILE 75 2.749 1.023 -0.030 608 1HG1 ILE 75 1HG1 ILE 75 0.345 1.043 -0.003 609 2HG1 ILE 75 2HG1 ILE 75 0.975 1.701 1.498 610 1HG2 ILE 75 1HG2 ILE 75 4.166 2.980 0.236 611 2HG2 ILE 75 2HG2 ILE 75 2.746 4.032 0.384 612 3HG2 ILE 75 3HG2 ILE 75 3.096 2.820 1.632 613 1HD1 ILE 75 1HD1 ILE 75 0.455 3.985 0.796 614 2HD1 ILE 75 2HD1 ILE 75 -0.036 3.412 -0.812 615 3HD1 ILE 75 3HD1 ILE 75 -0.977 2.949 0.606 616 H SER 76 H SER 76 4.501 3.586 -2.011 617 HA SER 76 HA SER 76 5.993 1.299 -3.228 618 1HB SER 76 1HB SER 76 6.310 4.276 -3.764 619 2HB SER 76 2HB SER 76 7.208 2.958 -4.538 620 HG SER 76 HG SER 76 5.342 2.324 -5.551 621 H GLU 77 H GLU 77 8.112 1.104 -2.482 622 HA GLU 77 HA GLU 77 9.145 2.960 -0.380 623 1HB GLU 77 1HB GLU 77 8.544 0.749 0.590 624 2HB GLU 77 2HB GLU 77 9.525 -0.046 -0.639 625 1HG GLU 77 1HG GLU 77 11.573 1.001 0.243 626 2HG GLU 77 2HG GLU 77 10.622 1.948 1.396 627 H ASP 78 H ASP 78 11.039 3.914 -1.102 628 HA ASP 78 HA ASP 78 12.461 2.662 -3.436 629 1HB ASP 78 1HB ASP 78 11.678 5.000 -3.776 630 2HB ASP 78 2HB ASP 78 12.676 5.510 -2.401 631 H TYR 79 H TYR 79 14.269 1.562 -2.859 632 HA TYR 79 HA TYR 79 14.958 1.362 -0.110 633 1HB TYR 79 1HB TYR 79 15.091 -0.449 -1.825 634 2HB TYR 79 2HB TYR 79 16.483 0.365 -2.540 635 HD1 TYR 79 HD1 TYR 79 18.626 -0.376 -1.842 636 HD2 TYR 79 HD2 TYR 79 15.261 -0.888 0.812 637 HE1 TYR 79 HE1 TYR 79 20.066 -1.599 -0.235 638 HE2 TYR 79 HE2 TYR 79 16.702 -2.097 2.410 639 HH TYR 79 HH TYR 79 18.821 -2.879 2.858 640 H LYS 80 H LYS 80 16.167 3.615 -2.566 641 HA LYS 80 HA LYS 80 18.819 3.876 -1.559 642 1HB LYS 80 1HB LYS 80 17.040 5.838 -3.083 643 2HB LYS 80 2HB LYS 80 18.760 6.007 -2.755 644 1HG LYS 80 1HG LYS 80 19.267 3.967 -4.040 645 2HG LYS 80 2HG LYS 80 17.547 3.692 -4.322 646 1HD LYS 80 1HD LYS 80 18.615 4.703 -6.291 647 2HD LYS 80 2HD LYS 80 17.331 5.720 -5.630 648 1HE LYS 80 1HE LYS 80 19.339 7.012 -6.345 649 2HE LYS 80 2HE LYS 80 18.954 7.251 -4.641 650 1HZ LYS 80 1HZ LYS 80 20.669 5.673 -4.098 651 2HZ LYS 80 2HZ LYS 80 21.016 5.436 -5.692 652 3HZ LYS 80 3HZ LYS 80 21.284 6.907 -4.998 653 H THR 81 H THR 81 15.830 5.912 -1.021 654 HA THR 81 HA THR 81 17.120 7.288 1.240 655 HB THR 81 HB THR 81 14.784 8.247 1.401 656 HG1 THR 81 HG1 THR 81 13.461 7.745 -0.484 657 1HG2 THR 81 1HG2 THR 81 16.554 9.364 0.058 658 2HG2 THR 81 2HG2 THR 81 16.072 8.420 -1.367 659 3HG2 THR 81 3HG2 THR 81 14.948 9.595 -0.655 660 H ARG 82 H ARG 82 15.059 4.531 0.543 661 HA ARG 82 HA ARG 82 14.042 2.983 1.744 662 1HB ARG 82 1HB ARG 82 16.111 3.304 3.404 663 2HB ARG 82 2HB ARG 82 14.862 4.043 4.428 664 1HG ARG 82 1HG ARG 82 13.467 1.935 3.984 665 2HG ARG 82 2HG ARG 82 14.900 1.266 3.173 666 1HD ARG 82 1HD ARG 82 16.200 1.575 5.291 667 2HD ARG 82 2HD ARG 82 14.722 2.185 6.080 668 HE ARG 82 HE ARG 82 14.162 -0.350 4.932 669 1HH1 ARG 82 1HH1 ARG 82 16.012 1.072 7.575 670 2HH1 ARG 82 2HH1 ARG 82 15.964 -0.349 8.581 671 1HH2 ARG 82 1HH2 ARG 82 14.098 -2.235 6.219 672 2HH2 ARG 82 2HH2 ARG 82 14.853 -2.271 7.789 673 H GLY 83 H GLY 83 13.310 5.929 1.168 674 1HA GLY 83 1HA GLY 83 11.208 6.516 3.147 675 2HA GLY 83 2HA GLY 83 11.650 7.455 1.708 676 H ARG 84 H ARG 84 8.958 6.626 2.460 677 HA ARG 84 HA ARG 84 8.301 4.888 0.141 678 1HB ARG 84 1HB ARG 84 6.720 5.330 2.683 679 2HB ARG 84 2HB ARG 84 6.266 4.269 1.366 680 1HG ARG 84 1HG ARG 84 8.803 3.309 1.985 681 2HG ARG 84 2HG ARG 84 8.175 3.764 3.580 682 1HD ARG 84 1HD ARG 84 6.111 2.442 3.089 683 2HD ARG 84 2HD ARG 84 6.776 2.040 1.491 684 HE ARG 84 HE ARG 84 8.621 1.270 3.549 685 1HH1 ARG 84 1HH1 ARG 84 5.537 0.407 2.114 686 2HH1 ARG 84 2HH1 ARG 84 5.674 -1.297 2.427 687 1HH2 ARG 84 1HH2 ARG 84 8.925 -0.989 3.845 688 2HH2 ARG 84 2HH2 ARG 84 7.692 -2.136 3.400 689 H LYS 85 H LYS 85 6.061 5.257 -0.542 690 HA LYS 85 HA LYS 85 4.892 7.832 -0.125 691 1HB LYS 85 1HB LYS 85 5.094 8.785 -2.347 692 2HB LYS 85 2HB LYS 85 6.665 8.573 -1.588 693 1HG LYS 85 1HG LYS 85 7.210 7.847 -3.672 694 2HG LYS 85 2HG LYS 85 6.772 6.323 -2.919 695 1HD LYS 85 1HD LYS 85 5.725 6.316 -5.068 696 2HD LYS 85 2HD LYS 85 4.413 6.684 -3.958 697 1HE LYS 85 1HE LYS 85 4.893 9.195 -4.481 698 2HE LYS 85 2HE LYS 85 5.965 8.603 -5.758 699 1HZ LYS 85 1HZ LYS 85 4.053 7.473 -6.685 700 2HZ LYS 85 2HZ LYS 85 3.093 8.069 -5.477 701 3HZ LYS 85 3HZ LYS 85 3.792 9.095 -6.561 702 H LEU 86 H LEU 86 2.899 8.191 -1.294 703 HA LEU 86 HA LEU 86 1.365 5.711 -1.580 704 1HB LEU 86 1HB LEU 86 0.444 7.643 -0.371 705 2HB LEU 86 2HB LEU 86 0.676 8.672 -1.792 706 HG LEU 86 HG LEU 86 -1.021 7.410 -3.042 707 1HD1 LEU 86 1HD1 LEU 86 -0.822 5.180 -2.116 708 2HD1 LEU 86 2HD1 LEU 86 -1.229 5.762 -0.482 709 3HD1 LEU 86 3HD1 LEU 86 -2.450 5.751 -1.768 710 1HD2 LEU 86 1HD2 LEU 86 -1.965 8.260 -0.270 711 2HD2 LEU 86 2HD2 LEU 86 -1.658 9.355 -1.633 712 3HD2 LEU 86 3HD2 LEU 86 -2.963 8.162 -1.734 713 H LEU 87 H LEU 87 1.237 4.697 -3.593 714 HA LEU 87 HA LEU 87 2.211 6.136 -5.957 715 1HB LEU 87 1HB LEU 87 2.741 3.688 -5.361 716 2HB LEU 87 2HB LEU 87 1.096 3.315 -5.839 717 HG LEU 87 HG LEU 87 1.532 4.258 -8.111 718 1HD1 LEU 87 1HD1 LEU 87 3.389 5.787 -7.756 719 2HD1 LEU 87 2HD1 LEU 87 4.386 4.498 -7.053 720 3HD1 LEU 87 3HD1 LEU 87 3.970 4.474 -8.775 721 1HD2 LEU 87 1HD2 LEU 87 3.377 2.036 -7.138 722 2HD2 LEU 87 2HD2 LEU 87 1.688 1.859 -7.665 723 3HD2 LEU 87 3HD2 LEU 87 2.931 2.331 -8.832 724 H ARG 88 H ARG 88 -0.699 4.308 -4.969 725 HA ARG 88 HA ARG 88 -2.460 6.185 -6.430 726 1HB ARG 88 1HB ARG 88 -2.157 3.235 -7.122 727 2HB ARG 88 2HB ARG 88 -3.630 4.147 -7.479 728 1HG ARG 88 1HG ARG 88 -2.421 5.746 -8.850 729 2HG ARG 88 2HG ARG 88 -0.875 4.961 -8.505 730 1HD ARG 88 1HD ARG 88 -3.184 3.556 -9.891 731 2HD ARG 88 2HD ARG 88 -1.848 4.393 -10.713 732 HE ARG 88 HE ARG 88 -0.786 2.551 -8.807 733 1HH1 ARG 88 1HH1 ARG 88 -2.339 2.641 -11.975 734 2HH1 ARG 88 2HH1 ARG 88 -1.495 1.249 -12.594 735 1HH2 ARG 88 1HH2 ARG 88 0.329 0.723 -9.592 736 2HH2 ARG 88 2HH2 ARG 88 0.041 0.129 -11.204 737 H PHE 89 H PHE 89 -4.662 5.972 -5.847 738 HA PHE 89 HA PHE 89 -5.387 4.362 -3.480 739 1HB PHE 89 1HB PHE 89 -4.430 6.499 -2.628 740 2HB PHE 89 2HB PHE 89 -5.558 7.402 -3.623 741 HD1 PHE 89 HD1 PHE 89 -7.929 7.597 -2.992 742 HD2 PHE 89 HD2 PHE 89 -5.186 5.232 -0.642 743 HE1 PHE 89 HE1 PHE 89 -9.522 7.624 -1.092 744 HE2 PHE 89 HE2 PHE 89 -6.815 5.212 1.231 745 HZ PHE 89 HZ PHE 89 -8.986 6.413 1.005 746 H ASN 90 H ASN 90 -7.052 3.274 -4.537 747 HA ASN 90 HA ASN 90 -8.861 4.846 -6.328 748 1HB ASN 90 1HB ASN 90 -8.237 1.893 -6.354 749 2HB ASN 90 2HB ASN 90 -9.166 2.795 -7.541 750 1HD2 ASN 90 1HD2 ASN 90 -6.755 1.097 -7.980 751 2HD2 ASN 90 2HD2 ASN 90 -5.592 2.169 -8.736 752 H GLY 91 H GLY 91 -11.041 4.587 -5.984 753 1HA GLY 91 1HA GLY 91 -12.594 2.702 -5.160 754 2HA GLY 91 2HA GLY 91 -11.903 3.083 -3.572 755 HA PRO 92 HA PRO 92 -13.528 3.084 -2.088 756 1HB PRO 92 1HB PRO 92 -16.186 2.696 -1.570 757 2HB PRO 92 2HB PRO 92 -15.208 4.035 -0.910 758 1HG PRO 92 1HG PRO 92 -16.997 4.093 -3.360 759 2HG PRO 92 2HG PRO 92 -16.988 5.251 -1.996 760 1HD PRO 92 1HD PRO 92 -15.642 5.774 -4.302 761 2HD PRO 92 2HD PRO 92 -14.915 6.199 -2.726 762 H VAL 93 H VAL 93 -13.792 0.815 -2.194 763 HA VAL 93 HA VAL 93 -15.311 -0.364 -4.424 764 HB VAL 93 HB VAL 93 -13.271 -1.984 -4.685 765 1HG1 VAL 93 1HG1 VAL 93 -14.193 -0.671 -6.505 766 2HG1 VAL 93 2HG1 VAL 93 -13.291 0.760 -5.981 767 3HG1 VAL 93 3HG1 VAL 93 -12.423 -0.667 -6.573 768 1HG2 VAL 93 1HG2 VAL 93 -11.746 0.540 -3.898 769 2HG2 VAL 93 2HG2 VAL 93 -11.842 -0.934 -2.911 770 3HG2 VAL 93 3HG2 VAL 93 -11.075 -0.979 -4.505 771 HA PRO 94 HA PRO 94 -16.167 -2.873 -0.828 772 1HB PRO 94 1HB PRO 94 -17.802 -4.795 -1.918 773 2HB PRO 94 2HB PRO 94 -18.316 -3.090 -1.745 774 1HG PRO 94 1HG PRO 94 -17.140 -4.436 -4.195 775 2HG PRO 94 2HG PRO 94 -18.634 -3.457 -4.104 776 1HD PRO 94 1HD PRO 94 -16.243 -2.404 -4.890 777 2HD PRO 94 2HD PRO 94 -17.395 -1.443 -3.911 778 HA PRO 95 HA PRO 95 -13.322 -6.357 -1.305 779 1HB PRO 95 1HB PRO 95 -14.204 -8.146 0.573 780 2HB PRO 95 2HB PRO 95 -13.447 -6.590 1.025 781 1HG PRO 95 1HG PRO 95 -16.407 -7.219 0.811 782 2HG PRO 95 2HG PRO 95 -15.556 -6.447 2.180 783 1HD PRO 95 1HD PRO 95 -16.856 -5.004 0.261 784 2HD PRO 95 2HD PRO 95 -15.342 -4.404 0.990 785 HA PRO 96 HA PRO 96 -15.561 -9.106 -4.053 786 1HB PRO 96 1HB PRO 96 -14.095 -11.420 -4.002 787 2HB PRO 96 2HB PRO 96 -13.504 -9.912 -4.757 788 1HG PRO 96 1HG PRO 96 -12.905 -10.928 -1.963 789 2HG PRO 96 2HG PRO 96 -11.734 -10.368 -3.193 790 1HD PRO 96 1HD PRO 96 -12.620 -8.720 -1.223 791 2HD PRO 96 2HD PRO 96 -12.384 -8.093 -2.881 Start of MODEL 13 1 1H GLY 1 1H GLY 1 10.059 -8.619 -2.517 2 2H GLY 1 2H GLY 1 8.937 -9.440 -1.624 3 3H GLY 1 3H GLY 1 10.514 -9.389 -1.123 4 1HA GLY 1 1HA GLY 1 11.220 -10.597 -3.093 5 2HA GLY 1 2HA GLY 1 10.114 -11.504 -2.061 6 H GLU 2 H GLU 2 9.051 -12.751 -3.599 7 HA GLU 2 HA GLU 2 7.897 -11.673 -6.040 8 1HB GLU 2 1HB GLU 2 7.415 -14.304 -4.549 9 2HB GLU 2 2HB GLU 2 6.799 -13.901 -6.152 10 1HG GLU 2 1HG GLU 2 9.138 -13.631 -6.987 11 2HG GLU 2 2HG GLU 2 9.754 -14.116 -5.402 12 H TRP 3 H TRP 3 5.411 -12.020 -6.265 13 HA TRP 3 HA TRP 3 3.977 -10.352 -4.491 14 1HB TRP 3 1HB TRP 3 3.224 -12.337 -6.652 15 2HB TRP 3 2HB TRP 3 1.983 -11.639 -5.635 16 HD1 TRP 3 HD1 TRP 3 3.493 -10.964 -8.818 17 HE1 TRP 3 HE1 TRP 3 3.176 -8.551 -9.565 18 HE3 TRP 3 HE3 TRP 3 1.971 -8.949 -4.382 19 HZ2 TRP 3 HZ2 TRP 3 2.424 -6.010 -8.365 20 HZ3 TRP 3 HZ3 TRP 3 1.588 -6.509 -4.166 21 HH2 TRP 3 HH2 TRP 3 1.734 -5.039 -6.170 22 H GLU 4 H GLU 4 3.908 -10.809 -2.344 23 HA GLU 4 HA GLU 4 2.562 -13.322 -1.526 24 1HB GLU 4 1HB GLU 4 5.006 -13.686 -1.395 25 2HB GLU 4 2HB GLU 4 5.158 -12.287 -0.313 26 1HG GLU 4 1HG GLU 4 3.853 -13.448 1.412 27 2HG GLU 4 2HG GLU 4 3.483 -14.772 0.284 28 H ILE 5 H ILE 5 1.691 -13.171 0.620 29 HA ILE 5 HA ILE 5 0.444 -10.581 1.051 30 HB ILE 5 HB ILE 5 -0.053 -13.070 2.652 31 1HG1 ILE 5 1HG1 ILE 5 -2.149 -13.071 0.908 32 2HG1 ILE 5 2HG1 ILE 5 -0.876 -12.533 -0.181 33 1HG2 ILE 5 1HG2 ILE 5 -1.014 -10.945 3.490 34 2HG2 ILE 5 2HG2 ILE 5 -1.871 -10.750 1.945 35 3HG2 ILE 5 3HG2 ILE 5 -2.249 -12.110 3.019 36 1HD1 ILE 5 1HD1 ILE 5 0.430 -14.611 0.434 37 2HD1 ILE 5 2HD1 ILE 5 -0.874 -15.056 1.552 38 3HD1 ILE 5 3HD1 ILE 5 -1.182 -14.988 -0.191 39 H ILE 6 H ILE 6 0.768 -9.314 2.930 40 HA ILE 6 HA ILE 6 2.950 -10.141 4.782 41 HB ILE 6 HB ILE 6 3.152 -7.790 5.314 42 1HG1 ILE 6 1HG1 ILE 6 1.428 -7.025 2.944 43 2HG1 ILE 6 2HG1 ILE 6 0.713 -7.181 4.554 44 1HG2 ILE 6 1HG2 ILE 6 4.546 -8.848 3.538 45 2HG2 ILE 6 2HG2 ILE 6 3.391 -8.294 2.310 46 3HG2 ILE 6 3HG2 ILE 6 4.313 -7.118 3.261 47 1HD1 ILE 6 1HD1 ILE 6 2.245 -5.534 5.472 48 2HD1 ILE 6 2HD1 ILE 6 3.064 -5.362 3.910 49 3HD1 ILE 6 3HD1 ILE 6 1.373 -4.866 4.071 50 H ASP 7 H ASP 7 2.614 -9.649 7.051 51 HA ASP 7 HA ASP 7 -0.092 -10.273 7.927 52 1HB ASP 7 1HB ASP 7 2.341 -9.442 9.550 53 2HB ASP 7 2HB ASP 7 0.812 -10.073 10.175 54 H ILE 8 H ILE 8 -1.639 -8.689 8.004 55 HA ILE 8 HA ILE 8 -1.274 -5.940 8.293 56 HB ILE 8 HB ILE 8 -3.559 -5.946 8.968 57 1HG1 ILE 8 1HG1 ILE 8 -3.447 -8.984 9.153 58 2HG1 ILE 8 2HG1 ILE 8 -3.695 -7.851 10.492 59 1HG2 ILE 8 1HG2 ILE 8 -2.840 -6.290 6.586 60 2HG2 ILE 8 2HG2 ILE 8 -3.247 -8.007 6.763 61 3HG2 ILE 8 3HG2 ILE 8 -4.503 -6.762 6.930 62 1HD1 ILE 8 1HD1 ILE 8 -5.789 -7.037 9.405 63 2HD1 ILE 8 2HD1 ILE 8 -5.608 -8.322 8.185 64 3HD1 ILE 8 3HD1 ILE 8 -5.825 -8.742 9.891 65 H GLY 9 H GLY 9 -0.793 -4.666 10.077 66 1HA GLY 9 1HA GLY 9 -1.072 -5.293 12.813 67 2HA GLY 9 2HA GLY 9 0.515 -5.870 12.228 68 HA PRO 10 HA PRO 10 0.484 -1.336 13.515 69 1HB PRO 10 1HB PRO 10 3.143 -1.271 14.423 70 2HB PRO 10 2HB PRO 10 1.680 -1.577 15.399 71 1HG PRO 10 1HG PRO 10 3.543 -3.605 14.164 72 2HG PRO 10 2HG PRO 10 2.836 -3.609 15.808 73 1HD PRO 10 1HD PRO 10 1.782 -5.130 13.874 74 2HD PRO 10 2HD PRO 10 0.681 -4.231 14.957 75 H PHE 11 H PHE 11 3.193 -2.980 11.811 76 HA PHE 11 HA PHE 11 4.192 -0.809 10.366 77 1HB PHE 11 1HB PHE 11 5.323 -2.923 10.360 78 2HB PHE 11 2HB PHE 11 3.925 -3.758 9.692 79 HD1 PHE 11 HD1 PHE 11 3.618 -3.975 7.344 80 HD2 PHE 11 HD2 PHE 11 6.522 -1.176 8.875 81 HE1 PHE 11 HE1 PHE 11 4.413 -3.538 5.043 82 HE2 PHE 11 HE2 PHE 11 7.346 -0.783 6.564 83 HZ PHE 11 HZ PHE 11 6.311 -1.981 4.652 84 H THR 12 H THR 12 1.617 -3.136 9.295 85 HA THR 12 HA THR 12 1.137 -1.887 6.828 86 HB THR 12 HB THR 12 -0.953 -3.394 8.368 87 HG1 THR 12 HG1 THR 12 1.242 -4.716 7.196 88 1HG2 THR 12 1HG2 THR 12 -1.473 -2.784 6.079 89 2HG2 THR 12 2HG2 THR 12 0.025 -3.527 5.484 90 3HG2 THR 12 3HG2 THR 12 -1.260 -4.540 6.176 91 H GLN 13 H GLN 13 -0.422 -1.600 10.034 92 HA GLN 13 HA GLN 13 -2.509 0.191 9.324 93 1HB GLN 13 1HB GLN 13 -0.945 -0.321 11.891 94 2HB GLN 13 2HB GLN 13 -2.336 0.756 11.793 95 1HG GLN 13 1HG GLN 13 -3.813 -1.056 11.127 96 2HG GLN 13 2HG GLN 13 -2.465 -2.174 10.961 97 1HE2 GLN 13 1HE2 GLN 13 -4.390 -0.323 13.345 98 2HE2 GLN 13 2HE2 GLN 13 -3.927 -1.327 14.707 99 H ASN 14 H ASN 14 0.864 0.802 10.464 100 HA ASN 14 HA ASN 14 0.734 3.603 10.410 101 1HB ASN 14 1HB ASN 14 2.585 2.286 11.374 102 2HB ASN 14 2HB ASN 14 3.126 1.829 9.757 103 1HD2 ASN 14 1HD2 ASN 14 5.143 2.856 10.855 104 2HD2 ASN 14 2HD2 ASN 14 5.345 4.573 10.547 105 H LEU 15 H LEU 15 1.713 1.345 7.724 106 HA LEU 15 HA LEU 15 2.072 3.492 5.840 107 1HB LEU 15 1HB LEU 15 1.420 0.544 5.426 108 2HB LEU 15 2HB LEU 15 1.629 1.688 4.099 109 HG LEU 15 HG LEU 15 3.752 0.872 6.114 110 1HD1 LEU 15 1HD1 LEU 15 3.266 -0.708 4.260 111 2HD1 LEU 15 2HD1 LEU 15 3.493 0.599 3.078 112 3HD1 LEU 15 3HD1 LEU 15 4.862 0.042 4.053 113 1HD2 LEU 15 1HD2 LEU 15 3.809 3.048 3.963 114 2HD2 LEU 15 2HD2 LEU 15 4.203 3.225 5.689 115 3HD2 LEU 15 3HD2 LEU 15 5.260 2.291 4.641 116 H GLY 16 H GLY 16 -0.810 1.544 6.583 117 1HA GLY 16 1HA GLY 16 -2.569 2.718 4.670 118 2HA GLY 16 2HA GLY 16 -3.034 2.035 6.237 119 H LYS 17 H LYS 17 -1.511 3.737 7.927 120 HA LYS 17 HA LYS 17 -3.456 5.793 8.222 121 1HB LYS 17 1HB LYS 17 -1.718 4.623 9.948 122 2HB LYS 17 2HB LYS 17 -0.737 6.020 9.560 123 1HG LYS 17 1HG LYS 17 -3.522 5.947 10.780 124 2HG LYS 17 2HG LYS 17 -2.006 6.480 11.531 125 1HD LYS 17 1HD LYS 17 -1.886 8.270 9.706 126 2HD LYS 17 2HD LYS 17 -3.526 7.783 9.233 127 1HE LYS 17 1HE LYS 17 -3.737 9.724 10.635 128 2HE LYS 17 2HE LYS 17 -4.374 8.323 11.510 129 1HZ LYS 17 1HZ LYS 17 -2.301 8.224 12.710 130 2HZ LYS 17 2HZ LYS 17 -1.703 9.508 11.866 131 3HZ LYS 17 3HZ LYS 17 -2.991 9.710 12.874 132 H PHE 18 H PHE 18 -0.037 5.772 7.334 133 HA PHE 18 HA PHE 18 0.328 8.435 6.524 134 1HB PHE 18 1HB PHE 18 2.262 7.093 6.686 135 2HB PHE 18 2HB PHE 18 1.568 5.813 5.705 136 HD1 PHE 18 HD1 PHE 18 2.542 9.441 5.389 137 HD2 PHE 18 HD2 PHE 18 2.094 5.619 3.432 138 HE1 PHE 18 HE1 PHE 18 3.266 10.447 3.241 139 HE2 PHE 18 HE2 PHE 18 2.859 6.613 1.315 140 HZ PHE 18 HZ PHE 18 3.412 9.059 1.203 141 H ALA 19 H ALA 19 -0.958 5.681 4.639 142 HA ALA 19 HA ALA 19 -1.215 7.060 2.185 143 1HB ALA 19 1HB ALA 19 -1.472 4.612 2.399 144 2HB ALA 19 2HB ALA 19 -3.011 4.834 3.251 145 3HB ALA 19 3HB ALA 19 -2.863 5.346 1.570 146 H VAL 20 H VAL 20 -3.571 6.678 4.842 147 HA VAL 20 HA VAL 20 -5.535 8.397 3.579 148 HB VAL 20 HB VAL 20 -5.224 7.599 6.497 149 1HG1 VAL 20 1HG1 VAL 20 -6.509 9.654 6.481 150 2HG1 VAL 20 2HG1 VAL 20 -7.386 9.156 5.020 151 3HG1 VAL 20 3HG1 VAL 20 -7.695 8.350 6.565 152 1HG2 VAL 20 1HG2 VAL 20 -7.237 6.166 5.840 153 2HG2 VAL 20 2HG2 VAL 20 -6.955 6.634 4.160 154 3HG2 VAL 20 3HG2 VAL 20 -5.717 5.716 5.046 155 H ASP 21 H ASP 21 -2.869 9.057 5.874 156 HA ASP 21 HA ASP 21 -3.525 11.739 6.448 157 1HB ASP 21 1HB ASP 21 -1.860 10.532 7.731 158 2HB ASP 21 2HB ASP 21 -0.832 10.330 6.309 159 H GLU 22 H GLU 22 -1.507 10.319 3.890 160 HA GLU 22 HA GLU 22 -0.796 12.694 2.524 161 1HB GLU 22 1HB GLU 22 0.220 10.367 2.183 162 2HB GLU 22 2HB GLU 22 -1.262 9.911 1.343 163 1HG GLU 22 1HG GLU 22 0.388 10.477 -0.296 164 2HG GLU 22 2HG GLU 22 -0.810 11.772 -0.319 165 H GLU 23 H GLU 23 -3.545 10.380 2.022 166 HA GLU 23 HA GLU 23 -4.608 11.651 -0.230 167 1HB GLU 23 1HB GLU 23 -5.090 9.324 0.731 168 2HB GLU 23 2HB GLU 23 -6.106 10.115 1.940 169 1HG GLU 23 1HG GLU 23 -7.477 9.270 0.188 170 2HG GLU 23 2HG GLU 23 -7.517 11.037 0.105 171 H ASN 24 H ASN 24 -5.338 12.108 3.240 172 HA ASN 24 HA ASN 24 -7.360 14.084 2.977 173 1HB ASN 24 1HB ASN 24 -5.434 13.228 5.192 174 2HB ASN 24 2HB ASN 24 -6.654 14.474 5.383 175 1HD2 ASN 24 1HD2 ASN 24 -7.169 12.819 7.192 176 2HD2 ASN 24 2HD2 ASN 24 -8.394 11.629 6.748 177 H LYS 25 H LYS 25 -3.786 14.231 3.454 178 HA LYS 25 HA LYS 25 -3.682 17.026 3.913 179 1HB LYS 25 1HB LYS 25 -1.913 15.417 4.490 180 2HB LYS 25 2HB LYS 25 -1.538 15.181 2.771 181 1HG LYS 25 1HG LYS 25 -0.859 17.551 2.598 182 2HG LYS 25 2HG LYS 25 -1.375 17.834 4.276 183 1HD LYS 25 1HD LYS 25 0.290 16.150 5.065 184 2HD LYS 25 2HD LYS 25 0.825 15.907 3.391 185 1HE LYS 25 1HE LYS 25 1.516 18.288 3.257 186 2HE LYS 25 2HE LYS 25 0.932 18.561 4.911 187 1HZ LYS 25 1HZ LYS 25 2.544 16.982 5.677 188 2HZ LYS 25 2HZ LYS 25 3.091 16.723 4.144 189 3HZ LYS 25 3HZ LYS 25 3.279 18.202 4.848 190 H ILE 26 H ILE 26 -3.351 15.110 0.888 191 HA ILE 26 HA ILE 26 -3.147 17.468 -0.805 192 HB ILE 26 HB ILE 26 -4.034 14.644 -1.502 193 1HG1 ILE 26 1HG1 ILE 26 -1.285 15.943 -1.842 194 2HG1 ILE 26 2HG1 ILE 26 -1.679 14.856 -0.517 195 1HG2 ILE 26 1HG2 ILE 26 -4.687 16.429 -3.177 196 2HG2 ILE 26 2HG2 ILE 26 -2.991 16.914 -3.273 197 3HG2 ILE 26 3HG2 ILE 26 -3.498 15.308 -3.827 198 1HD1 ILE 26 1HD1 ILE 26 -2.256 13.064 -2.150 199 2HD1 ILE 26 2HD1 ILE 26 -1.659 14.112 -3.459 200 3HD1 ILE 26 3HD1 ILE 26 -0.557 13.578 -2.185 201 H GLY 27 H GLY 27 -5.816 15.336 0.295 202 1HA GLY 27 1HA GLY 27 -7.910 16.026 0.933 203 2HA GLY 27 2HA GLY 27 -7.701 17.584 0.126 204 H GLN 28 H GLN 28 -6.879 14.827 -1.797 205 HA GLN 28 HA GLN 28 -8.645 15.329 -3.900 206 1HB GLN 28 1HB GLN 28 -7.305 12.784 -2.916 207 2HB GLN 28 2HB GLN 28 -8.267 12.799 -4.398 208 1HG GLN 28 1HG GLN 28 -5.874 14.618 -3.912 209 2HG GLN 28 2HG GLN 28 -5.790 13.059 -4.730 210 1HE2 GLN 28 1HE2 GLN 28 -6.234 16.404 -5.290 211 2HE2 GLN 28 2HE2 GLN 28 -6.886 16.258 -6.908 212 H TYR 29 H TYR 29 -9.128 13.138 -1.140 213 HA TYR 29 HA TYR 29 -12.037 12.866 -1.854 214 1HB TYR 29 1HB TYR 29 -9.964 10.933 -0.930 215 2HB TYR 29 2HB TYR 29 -11.496 10.843 -0.098 216 HD1 TYR 29 HD1 TYR 29 -9.789 10.041 -3.213 217 HD2 TYR 29 HD2 TYR 29 -13.639 10.514 -1.324 218 HE1 TYR 29 HE1 TYR 29 -10.821 8.637 -4.974 219 HE2 TYR 29 HE2 TYR 29 -14.694 9.181 -3.143 220 HH TYR 29 HH TYR 29 -12.849 7.288 -5.404 221 H GLY 30 H GLY 30 -10.639 15.076 -0.338 222 1HA GLY 30 1HA GLY 30 -10.967 16.315 1.550 223 2HA GLY 30 2HA GLY 30 -12.492 15.437 1.759 224 H ARG 31 H ARG 31 -12.078 15.496 4.073 225 HA ARG 31 HA ARG 31 -9.763 14.084 5.184 226 1HB ARG 31 1HB ARG 31 -12.182 15.454 6.410 227 2HB ARG 31 2HB ARG 31 -11.008 14.516 7.339 228 1HG ARG 31 1HG ARG 31 -9.163 15.948 6.515 229 2HG ARG 31 2HG ARG 31 -10.333 16.963 5.648 230 1HD ARG 31 1HD ARG 31 -11.412 17.586 7.749 231 2HD ARG 31 2HD ARG 31 -10.449 16.388 8.646 232 HE ARG 31 HE ARG 31 -8.714 18.223 7.299 233 1HH1 ARG 31 1HH1 ARG 31 -10.931 18.034 10.047 234 2HH1 ARG 31 2HH1 ARG 31 -10.025 19.143 11.039 235 1HH2 ARG 31 1HH2 ARG 31 -7.511 19.676 8.591 236 2HH2 ARG 31 2HH2 ARG 31 -8.049 20.106 10.190 237 H LEU 32 H LEU 32 -9.975 11.953 4.378 238 HA LEU 32 HA LEU 32 -12.319 10.320 5.074 239 1HB LEU 32 1HB LEU 32 -9.471 9.617 4.324 240 2HB LEU 32 2HB LEU 32 -10.764 8.439 4.512 241 HG LEU 32 HG LEU 32 -11.063 10.728 2.522 242 1HD1 LEU 32 1HD1 LEU 32 -8.912 9.770 2.021 243 2HD1 LEU 32 2HD1 LEU 32 -9.543 8.116 2.178 244 3HD1 LEU 32 3HD1 LEU 32 -10.072 9.147 0.828 245 1HD2 LEU 32 1HD2 LEU 32 -12.098 7.848 2.599 246 2HD2 LEU 32 2HD2 LEU 32 -13.045 9.287 3.046 247 3HD2 LEU 32 3HD2 LEU 32 -12.490 9.073 1.374 248 H THR 33 H THR 33 -12.499 8.998 6.912 249 HA THR 33 HA THR 33 -10.687 9.665 9.186 250 HB THR 33 HB THR 33 -13.430 8.343 9.113 251 HG1 THR 33 HG1 THR 33 -13.272 10.605 8.506 252 1HG2 THR 33 1HG2 THR 33 -12.113 7.712 11.135 253 2HG2 THR 33 2HG2 THR 33 -11.752 9.428 11.434 254 3HG2 THR 33 3HG2 THR 33 -13.421 8.837 11.546 255 H PHE 34 H PHE 34 -8.911 8.319 8.696 256 HA PHE 34 HA PHE 34 -8.936 5.686 7.781 257 1HB PHE 34 1HB PHE 34 -6.884 6.797 8.063 258 2HB PHE 34 2HB PHE 34 -7.108 7.009 9.806 259 HD1 PHE 34 HD1 PHE 34 -6.289 5.323 11.312 260 HD2 PHE 34 HD2 PHE 34 -6.683 4.378 7.116 261 HE1 PHE 34 HE1 PHE 34 -4.802 3.362 11.599 262 HE2 PHE 34 HE2 PHE 34 -5.227 2.419 7.424 263 HZ PHE 34 HZ PHE 34 -4.184 1.968 9.638 264 H ASN 35 H ASN 35 -9.531 3.801 8.524 265 HA ASN 35 HA ASN 35 -10.559 3.561 11.328 266 1HB ASN 35 1HB ASN 35 -11.942 3.066 9.081 267 2HB ASN 35 2HB ASN 35 -11.154 1.509 9.197 268 1HD2 ASN 35 1HD2 ASN 35 -13.226 3.795 10.989 269 2HD2 ASN 35 2HD2 ASN 35 -13.989 2.554 11.962 270 H LYS 36 H LYS 36 -9.018 1.623 8.759 271 HA LYS 36 HA LYS 36 -6.704 0.868 10.181 272 1HB LYS 36 1HB LYS 36 -7.245 -1.549 10.694 273 2HB LYS 36 2HB LYS 36 -7.978 -0.365 11.735 274 1HG LYS 36 1HG LYS 36 -10.130 -0.564 10.487 275 2HG LYS 36 2HG LYS 36 -9.406 -1.827 9.471 276 1HD LYS 36 1HD LYS 36 -9.026 -3.230 11.460 277 2HD LYS 36 2HD LYS 36 -9.550 -1.908 12.523 278 1HE LYS 36 1HE LYS 36 -11.820 -1.975 11.520 279 2HE LYS 36 2HE LYS 36 -11.323 -3.337 10.496 280 1HZ LYS 36 1HZ LYS 36 -10.897 -4.584 12.496 281 2HZ LYS 36 2HZ LYS 36 -11.348 -3.307 13.437 282 3HZ LYS 36 3HZ LYS 36 -12.457 -4.049 12.470 283 H VAL 37 H VAL 37 -6.393 -1.796 8.991 284 HA VAL 37 HA VAL 37 -6.862 -1.381 6.110 285 HB VAL 37 HB VAL 37 -4.209 -2.323 7.310 286 1HG1 VAL 37 1HG1 VAL 37 -4.753 -3.244 5.057 287 2HG1 VAL 37 2HG1 VAL 37 -4.980 -1.589 4.451 288 3HG1 VAL 37 3HG1 VAL 37 -3.389 -2.126 4.998 289 1HG2 VAL 37 1HG2 VAL 37 -4.848 0.376 6.058 290 2HG2 VAL 37 2HG2 VAL 37 -4.365 0.082 7.746 291 3HG2 VAL 37 3HG2 VAL 37 -3.221 -0.236 6.438 292 H ILE 38 H ILE 38 -7.234 -3.447 5.096 293 HA ILE 38 HA ILE 38 -6.915 -5.840 6.793 294 HB ILE 38 HB ILE 38 -9.195 -6.653 6.218 295 1HG1 ILE 38 1HG1 ILE 38 -10.965 -4.879 5.877 296 2HG1 ILE 38 2HG1 ILE 38 -9.702 -3.759 5.361 297 1HG2 ILE 38 1HG2 ILE 38 -8.584 -5.724 8.443 298 2HG2 ILE 38 2HG2 ILE 38 -9.208 -4.142 7.922 299 3HG2 ILE 38 3HG2 ILE 38 -10.294 -5.535 8.036 300 1HD1 ILE 38 1HD1 ILE 38 -10.297 -6.470 4.080 301 2HD1 ILE 38 2HD1 ILE 38 -10.937 -4.921 3.517 302 3HD1 ILE 38 3HD1 ILE 38 -9.203 -5.215 3.438 303 H ARG 39 H ARG 39 -7.176 -7.821 5.591 304 HA ARG 39 HA ARG 39 -5.464 -7.857 3.374 305 1HB ARG 39 1HB ARG 39 -6.201 -10.273 3.208 306 2HB ARG 39 2HB ARG 39 -5.518 -9.774 4.743 307 1HG ARG 39 1HG ARG 39 -8.545 -9.851 4.324 308 2HG ARG 39 2HG ARG 39 -7.608 -11.316 4.590 309 1HD ARG 39 1HD ARG 39 -6.636 -10.056 6.692 310 2HD ARG 39 2HD ARG 39 -8.134 -9.121 6.597 311 HE ARG 39 HE ARG 39 -7.757 -11.856 7.417 312 1HH1 ARG 39 1HH1 ARG 39 -10.125 -9.681 5.948 313 2HH1 ARG 39 2HH1 ARG 39 -11.508 -10.538 6.566 314 1HH2 ARG 39 1HH2 ARG 39 -9.546 -13.009 8.203 315 2HH2 ARG 39 2HH2 ARG 39 -11.168 -12.483 7.854 316 HA PRO 40 HA PRO 40 -5.232 -9.482 1.401 317 1HB PRO 40 1HB PRO 40 -4.746 -9.013 -1.219 318 2HB PRO 40 2HB PRO 40 -5.988 -10.172 -0.658 319 1HG PRO 40 1HG PRO 40 -6.391 -7.293 -1.508 320 2HG PRO 40 2HG PRO 40 -7.294 -8.729 -2.070 321 1HD PRO 40 1HD PRO 40 -8.262 -7.143 -0.059 322 2HD PRO 40 2HD PRO 40 -8.450 -8.912 0.002 323 H CYS 41 H CYS 41 -3.249 -8.766 1.914 324 HA CYS 41 HA CYS 41 -2.414 -5.993 1.226 325 1HB CYS 41 1HB CYS 41 -1.955 -7.500 3.839 326 2HB CYS 41 2HB CYS 41 -1.209 -5.969 3.365 327 HG CYS 41 HG CYS 41 -3.689 -4.921 2.804 328 H MET 42 H MET 42 -0.952 -6.504 -0.452 329 HA MET 42 HA MET 42 0.915 -8.783 0.031 330 1HB MET 42 1HB MET 42 -0.258 -7.800 -2.617 331 2HB MET 42 2HB MET 42 1.051 -8.988 -2.432 332 1HG MET 42 1HG MET 42 -0.370 -10.485 -1.205 333 2HG MET 42 2HG MET 42 -1.713 -9.305 -1.313 334 1HE MET 42 1HE MET 42 0.857 -10.909 -3.808 335 2HE MET 42 2HE MET 42 0.144 -12.263 -2.901 336 3HE MET 42 3HE MET 42 -0.208 -12.076 -4.635 337 H LYS 43 H LYS 43 3.075 -8.581 -0.969 338 HA LYS 43 HA LYS 43 3.685 -5.884 -1.873 339 1HB LYS 43 1HB LYS 43 5.596 -5.631 -0.569 340 2HB LYS 43 2HB LYS 43 4.354 -6.178 0.577 341 1HG LYS 43 1HG LYS 43 5.324 -8.432 0.596 342 2HG LYS 43 2HG LYS 43 6.502 -7.971 -0.650 343 1HD LYS 43 1HD LYS 43 7.390 -6.181 0.845 344 2HD LYS 43 2HD LYS 43 6.316 -6.757 2.129 345 1HE LYS 43 1HE LYS 43 7.438 -8.968 2.081 346 2HE LYS 43 2HE LYS 43 8.498 -8.401 0.774 347 1HZ LYS 43 1HZ LYS 43 9.323 -6.717 2.254 348 2HZ LYS 43 2HZ LYS 43 8.353 -7.251 3.471 349 3HZ LYS 43 3HZ LYS 43 9.556 -8.218 2.893 350 H LYS 44 H LYS 44 5.614 -5.852 -3.201 351 HA LYS 44 HA LYS 44 6.811 -8.351 -3.980 352 1HB LYS 44 1HB LYS 44 4.751 -8.301 -5.296 353 2HB LYS 44 2HB LYS 44 5.225 -6.815 -6.081 354 1HG LYS 44 1HG LYS 44 7.128 -9.148 -6.208 355 2HG LYS 44 2HG LYS 44 5.601 -9.342 -7.044 356 1HD LYS 44 1HD LYS 44 5.916 -7.471 -8.463 357 2HD LYS 44 2HD LYS 44 7.277 -6.856 -7.532 358 1HE LYS 44 1HE LYS 44 8.589 -8.938 -8.124 359 2HE LYS 44 2HE LYS 44 7.236 -9.455 -9.152 360 1HZ LYS 44 1HZ LYS 44 7.544 -7.427 -10.412 361 2HZ LYS 44 2HZ LYS 44 8.792 -6.976 -9.435 362 3HZ LYS 44 3HZ LYS 44 8.926 -8.316 -10.386 363 H THR 45 H THR 45 8.521 -7.760 -5.756 364 HA THR 45 HA THR 45 10.003 -5.458 -4.643 365 HB THR 45 HB THR 45 10.955 -7.737 -6.385 366 HG1 THR 45 HG1 THR 45 10.084 -8.451 -4.403 367 1HG2 THR 45 1HG2 THR 45 12.551 -5.844 -6.353 368 2HG2 THR 45 2HG2 THR 45 12.416 -5.781 -4.575 369 3HG2 THR 45 3HG2 THR 45 13.135 -7.203 -5.375 370 H ILE 46 H ILE 46 10.706 -3.715 -5.773 371 HA ILE 46 HA ILE 46 10.090 -3.471 -8.662 372 HB ILE 46 HB ILE 46 9.588 -1.682 -6.493 373 1HG1 ILE 46 1HG1 ILE 46 8.529 -0.331 -8.339 374 2HG1 ILE 46 2HG1 ILE 46 9.159 -1.499 -9.506 375 1HG2 ILE 46 1HG2 ILE 46 11.804 -0.655 -6.901 376 2HG2 ILE 46 2HG2 ILE 46 11.392 -0.453 -8.621 377 3HG2 ILE 46 3HG2 ILE 46 10.490 0.414 -7.367 378 1HD1 ILE 46 1HD1 ILE 46 7.842 -3.293 -8.357 379 2HD1 ILE 46 2HD1 ILE 46 7.321 -2.085 -7.157 380 3HD1 ILE 46 3HD1 ILE 46 6.794 -1.946 -8.845 381 H TYR 47 H TYR 47 11.784 -2.994 -10.085 382 HA TYR 47 HA TYR 47 14.493 -2.650 -9.218 383 1HB TYR 47 1HB TYR 47 15.234 -4.859 -9.950 384 2HB TYR 47 2HB TYR 47 14.059 -5.032 -8.643 385 HD1 TYR 47 HD1 TYR 47 11.991 -6.130 -8.875 386 HD2 TYR 47 HD2 TYR 47 14.699 -5.683 -12.201 387 HE1 TYR 47 HE1 TYR 47 11.098 -8.186 -9.882 388 HE2 TYR 47 HE2 TYR 47 13.745 -7.687 -13.252 389 HH TYR 47 HH TYR 47 12.150 -9.373 -13.094 390 H GLU 48 H GLU 48 15.860 -3.096 -11.341 391 HA GLU 48 HA GLU 48 14.314 -2.915 -13.769 392 1HB GLU 48 1HB GLU 48 14.921 -0.445 -12.604 393 2HB GLU 48 2HB GLU 48 16.292 -0.688 -13.679 394 1HG GLU 48 1HG GLU 48 14.554 -1.131 -15.546 395 2HG GLU 48 2HG GLU 48 13.306 -0.712 -14.370 396 H ASN 49 H ASN 49 15.872 -2.619 -15.554 397 HA ASN 49 HA ASN 49 17.907 -4.703 -15.507 398 1HB ASN 49 1HB ASN 49 17.974 -4.315 -17.878 399 2HB ASN 49 2HB ASN 49 16.266 -4.375 -17.376 400 1HD2 ASN 49 1HD2 ASN 49 18.015 -2.898 -19.640 401 2HD2 ASN 49 2HD2 ASN 49 17.321 -1.290 -19.577 402 H GLU 50 H GLU 50 17.670 -1.246 -15.509 403 HA GLU 50 HA GLU 50 19.492 0.128 -16.547 404 1HB GLU 50 1HB GLU 50 18.205 0.795 -14.536 405 2HB GLU 50 2HB GLU 50 19.448 0.053 -13.513 406 1HG GLU 50 1HG GLU 50 21.126 1.664 -14.464 407 2HG GLU 50 2HG GLU 50 19.839 2.392 -15.441 408 H GLY 51 H GLY 51 21.226 -1.051 -17.528 409 1HA GLY 51 1HA GLY 51 23.483 -1.467 -17.724 410 2HA GLY 51 2HA GLY 51 23.738 -1.034 -16.033 411 H PHE 52 H PHE 52 22.388 -2.705 -14.567 412 HA PHE 52 HA PHE 52 22.484 -5.461 -15.522 413 1HB PHE 52 1HB PHE 52 24.777 -4.913 -14.546 414 2HB PHE 52 2HB PHE 52 23.986 -4.655 -12.995 415 HD1 PHE 52 HD1 PHE 52 24.728 -7.171 -15.657 416 HD2 PHE 52 HD2 PHE 52 23.359 -6.562 -11.610 417 HE1 PHE 52 HE1 PHE 52 24.937 -9.604 -15.214 418 HE2 PHE 52 HE2 PHE 52 23.542 -8.990 -11.184 419 HZ PHE 52 HZ PHE 52 24.346 -10.520 -12.978 420 H ARG 53 H ARG 53 21.279 -6.864 -13.979 421 HA ARG 53 HA ARG 53 18.848 -5.691 -13.107 422 1HB ARG 53 1HB ARG 53 20.238 -8.282 -12.295 423 2HB ARG 53 2HB ARG 53 18.626 -7.806 -11.742 424 1HG ARG 53 1HG ARG 53 17.849 -7.691 -14.112 425 2HG ARG 53 2HG ARG 53 19.426 -8.328 -14.635 426 1HD ARG 53 1HD ARG 53 19.079 -10.345 -13.245 427 2HD ARG 53 2HD ARG 53 17.548 -9.671 -12.634 428 HE ARG 53 HE ARG 53 17.500 -9.809 -15.493 429 1HH1 ARG 53 1HH1 ARG 53 17.329 -11.853 -12.614 430 2HH1 ARG 53 2HH1 ARG 53 16.315 -13.062 -13.348 431 1HH2 ARG 53 1HH2 ARG 53 16.177 -11.398 -16.482 432 2HH2 ARG 53 2HH2 ARG 53 15.658 -12.802 -15.593 433 H GLU 54 H GLU 54 18.345 -4.503 -11.256 434 HA GLU 54 HA GLU 54 19.552 -5.364 -8.821 435 1HB GLU 54 1HB GLU 54 21.204 -3.625 -9.724 436 2HB GLU 54 2HB GLU 54 19.916 -2.423 -9.568 437 1HG GLU 54 1HG GLU 54 21.440 -2.333 -7.649 438 2HG GLU 54 2HG GLU 54 19.848 -2.856 -7.098 439 H ILE 55 H ILE 55 18.171 -5.195 -7.116 440 HA ILE 55 HA ILE 55 15.527 -4.228 -7.450 441 HB ILE 55 HB ILE 55 17.164 -5.131 -5.049 442 1HG1 ILE 55 1HG1 ILE 55 14.946 -6.534 -6.614 443 2HG1 ILE 55 2HG1 ILE 55 16.661 -6.803 -6.891 444 1HG2 ILE 55 1HG2 ILE 55 15.430 -3.662 -4.196 445 2HG2 ILE 55 2HG2 ILE 55 14.212 -4.408 -5.242 446 3HG2 ILE 55 3HG2 ILE 55 14.915 -5.312 -3.886 447 1HD1 ILE 55 1HD1 ILE 55 16.978 -7.595 -4.589 448 2HD1 ILE 55 2HD1 ILE 55 15.232 -7.452 -4.291 449 3HD1 ILE 55 3HD1 ILE 55 15.829 -8.577 -5.516 450 H LYS 56 H LYS 56 14.686 -2.304 -7.099 451 HA LYS 56 HA LYS 56 16.444 -0.160 -5.967 452 1HB LYS 56 1HB LYS 56 15.813 0.015 -8.379 453 2HB LYS 56 2HB LYS 56 14.112 0.152 -7.898 454 1HG LYS 56 1HG LYS 56 14.608 2.211 -6.639 455 2HG LYS 56 2HG LYS 56 16.348 1.986 -6.906 456 1HD LYS 56 1HD LYS 56 16.014 2.245 -9.354 457 2HD LYS 56 2HD LYS 56 14.276 2.495 -9.086 458 1HE LYS 56 1HE LYS 56 14.774 4.496 -7.693 459 2HE LYS 56 2HE LYS 56 16.514 4.229 -7.918 460 1HZ LYS 56 1HZ LYS 56 16.213 4.559 -10.259 461 2HZ LYS 56 2HZ LYS 56 14.591 4.812 -10.059 462 3HZ LYS 56 3HZ LYS 56 15.679 5.869 -9.411 463 H GLY 57 H GLY 57 13.388 -1.952 -5.581 464 1HA GLY 57 1HA GLY 57 12.888 -0.798 -3.009 465 2HA GLY 57 2HA GLY 57 11.920 0.016 -4.274 466 H TYR 58 H TYR 58 10.148 -0.889 -2.951 467 HA TYR 58 HA TYR 58 9.271 -3.465 -4.079 468 1HB TYR 58 1HB TYR 58 8.788 -2.730 -1.197 469 2HB TYR 58 2HB TYR 58 8.524 -4.276 -1.943 470 HD1 TYR 58 HD1 TYR 58 11.028 -2.067 -0.384 471 HD2 TYR 58 HD2 TYR 58 10.440 -5.836 -2.398 472 HE1 TYR 58 HE1 TYR 58 13.354 -2.704 0.134 473 HE2 TYR 58 HE2 TYR 58 12.787 -6.451 -1.930 474 HH TYR 58 HH TYR 58 14.798 -5.773 -1.011 475 H GLU 59 H GLU 59 6.955 -3.619 -4.011 476 HA GLU 59 HA GLU 59 5.539 -1.045 -3.562 477 1HB GLU 59 1HB GLU 59 3.905 -1.536 -5.104 478 2HB GLU 59 2HB GLU 59 5.422 -1.588 -5.974 479 1HG GLU 59 1HG GLU 59 4.099 -4.178 -5.000 480 2HG GLU 59 2HG GLU 59 3.480 -3.310 -6.397 481 H TYR 60 H TYR 60 3.556 -1.239 -2.467 482 HA TYR 60 HA TYR 60 2.938 -3.854 -1.184 483 1HB TYR 60 1HB TYR 60 3.029 -1.099 0.086 484 2HB TYR 60 2HB TYR 60 2.241 -2.488 0.797 485 HD1 TYR 60 HD1 TYR 60 3.428 -4.099 2.048 486 HD2 TYR 60 HD2 TYR 60 5.590 -1.198 -0.282 487 HE1 TYR 60 HE1 TYR 60 5.541 -4.774 3.169 488 HE2 TYR 60 HE2 TYR 60 7.708 -1.937 0.768 489 HH TYR 60 HH TYR 60 8.698 -3.375 2.269 490 H GLN 61 H GLN 61 0.872 -4.345 -1.707 491 HA GLN 61 HA GLN 61 -1.044 -2.217 -2.587 492 1HB GLN 61 1HB GLN 61 -0.660 -3.760 -4.363 493 2HB GLN 61 2HB GLN 61 -0.768 -5.167 -3.310 494 1HG GLN 61 1HG GLN 61 -3.142 -3.293 -3.744 495 2HG GLN 61 2HG GLN 61 -2.763 -4.614 -4.851 496 1HE2 GLN 61 1HE2 GLN 61 -4.436 -3.880 -1.926 497 2HE2 GLN 61 2HE2 GLN 61 -4.578 -5.524 -1.314 498 H LEU 62 H LEU 62 -2.694 -1.863 -1.059 499 HA LEU 62 HA LEU 62 -3.579 -4.126 0.568 500 1HB LEU 62 1HB LEU 62 -3.223 -2.812 2.718 501 2HB LEU 62 2HB LEU 62 -1.847 -3.614 1.968 502 HG LEU 62 HG LEU 62 -1.159 -1.367 0.967 503 1HD1 LEU 62 1HD1 LEU 62 -3.276 -0.143 1.265 504 2HD1 LEU 62 2HD1 LEU 62 -3.180 -0.360 3.025 505 3HD1 LEU 62 3HD1 LEU 62 -1.980 0.638 2.176 506 1HD2 LEU 62 1HD2 LEU 62 -1.206 -1.640 3.992 507 2HD2 LEU 62 2HD2 LEU 62 -0.042 -2.418 2.896 508 3HD2 LEU 62 3HD2 LEU 62 -0.085 -0.652 3.035 509 H TYR 63 H TYR 63 -5.579 -3.814 1.696 510 HA TYR 63 HA TYR 63 -7.274 -1.742 0.439 511 1HB TYR 63 1HB TYR 63 -7.715 -4.460 1.620 512 2HB TYR 63 2HB TYR 63 -8.996 -3.267 1.661 513 HD1 TYR 63 HD1 TYR 63 -10.235 -2.683 -0.335 514 HD2 TYR 63 HD2 TYR 63 -6.635 -5.013 -0.637 515 HE1 TYR 63 HE1 TYR 63 -10.790 -3.232 -2.688 516 HE2 TYR 63 HE2 TYR 63 -7.107 -5.439 -3.034 517 HH TYR 63 HH TYR 63 -8.621 -5.171 -4.760 518 H VAL 64 H VAL 64 -7.063 0.068 1.516 519 HA VAL 64 HA VAL 64 -6.762 0.260 4.424 520 HB VAL 64 HB VAL 64 -7.291 2.354 2.267 521 1HG1 VAL 64 1HG1 VAL 64 -7.994 3.143 4.504 522 2HG1 VAL 64 2HG1 VAL 64 -6.416 2.667 5.174 523 3HG1 VAL 64 3HG1 VAL 64 -6.529 3.959 3.956 524 1HG2 VAL 64 1HG2 VAL 64 -4.702 1.509 3.639 525 2HG2 VAL 64 2HG2 VAL 64 -5.110 1.280 1.923 526 3HG2 VAL 64 3HG2 VAL 64 -4.881 2.910 2.565 527 H TYR 65 H TYR 65 -8.444 0.620 5.822 528 HA TYR 65 HA TYR 65 -11.216 0.729 4.750 529 1HB TYR 65 1HB TYR 65 -10.163 -1.146 6.367 530 2HB TYR 65 2HB TYR 65 -10.576 0.017 7.609 531 HD1 TYR 65 HD1 TYR 65 -13.244 0.916 5.927 532 HD2 TYR 65 HD2 TYR 65 -11.575 -2.813 7.324 533 HE1 TYR 65 HE1 TYR 65 -15.421 -0.217 5.564 534 HE2 TYR 65 HE2 TYR 65 -13.778 -3.896 7.062 535 HH TYR 65 HH TYR 65 -15.961 -3.647 6.349 536 H ALA 66 H ALA 66 -11.878 2.836 4.760 537 HA ALA 66 HA ALA 66 -11.150 4.599 7.053 538 1HB ALA 66 1HB ALA 66 -9.435 4.968 5.300 539 2HB ALA 66 2HB ALA 66 -10.714 5.330 4.119 540 3HB ALA 66 3HB ALA 66 -10.469 6.388 5.529 541 H SER 67 H SER 67 -12.827 5.867 7.674 542 HA SER 67 HA SER 67 -14.978 6.466 7.905 543 1HB SER 67 1HB SER 67 -14.811 7.030 4.931 544 2HB SER 67 2HB SER 67 -16.012 7.686 6.077 545 HG SER 67 HG SER 67 -14.400 9.240 5.849 546 H ASP 68 H ASP 68 -14.603 3.715 7.541 547 HA ASP 68 HA ASP 68 -15.589 1.758 7.108 548 1HB ASP 68 1HB ASP 68 -18.179 3.343 7.057 549 2HB ASP 68 2HB ASP 68 -18.002 1.621 7.318 550 H LYS 69 H LYS 69 -14.599 3.256 4.758 551 HA LYS 69 HA LYS 69 -16.057 1.664 2.705 552 1HB LYS 69 1HB LYS 69 -14.831 4.444 2.497 553 2HB LYS 69 2HB LYS 69 -14.948 3.361 1.113 554 1HG LYS 69 1HG LYS 69 -16.780 4.759 0.915 555 2HG LYS 69 2HG LYS 69 -17.439 3.213 1.475 556 1HD LYS 69 1HD LYS 69 -17.721 4.116 3.734 557 2HD LYS 69 2HD LYS 69 -16.785 5.561 3.323 558 1HE LYS 69 1HE LYS 69 -19.169 6.072 3.383 559 2HE LYS 69 2HE LYS 69 -18.550 6.270 1.736 560 1HZ LYS 69 1HZ LYS 69 -19.454 4.119 1.210 561 2HZ LYS 69 2HZ LYS 69 -20.002 3.922 2.752 562 3HZ LYS 69 3HZ LYS 69 -20.637 5.107 1.795 563 H LEU 70 H LEU 70 -14.672 0.646 1.241 564 HA LEU 70 HA LEU 70 -11.934 0.091 2.217 565 1HB LEU 70 1HB LEU 70 -14.071 -1.439 0.929 566 2HB LEU 70 2HB LEU 70 -12.630 -1.432 -0.093 567 HG LEU 70 HG LEU 70 -11.273 -2.233 1.764 568 1HD1 LEU 70 1HD1 LEU 70 -12.566 -1.418 3.708 569 2HD1 LEU 70 2HD1 LEU 70 -13.947 -2.432 3.240 570 3HD1 LEU 70 3HD1 LEU 70 -12.433 -3.175 3.793 571 1HD2 LEU 70 1HD2 LEU 70 -13.750 -3.921 1.189 572 2HD2 LEU 70 2HD2 LEU 70 -12.360 -3.767 0.105 573 3HD2 LEU 70 3HD2 LEU 70 -12.168 -4.546 1.679 574 H PHE 71 H PHE 71 -10.218 0.977 1.197 575 HA PHE 71 HA PHE 71 -10.493 1.875 -1.639 576 1HB PHE 71 1HB PHE 71 -9.117 3.298 0.667 577 2HB PHE 71 2HB PHE 71 -8.785 3.628 -1.025 578 HD1 PHE 71 HD1 PHE 71 -11.418 3.857 1.610 579 HD2 PHE 71 HD2 PHE 71 -10.236 4.939 -2.394 580 HE1 PHE 71 HE1 PHE 71 -13.102 5.677 1.596 581 HE2 PHE 71 HE2 PHE 71 -11.940 6.732 -2.414 582 HZ PHE 71 HZ PHE 71 -13.380 7.110 -0.422 583 H ARG 72 H ARG 72 -8.872 1.164 -2.922 584 HA ARG 72 HA ARG 72 -6.942 -0.777 -1.760 585 1HB ARG 72 1HB ARG 72 -8.359 -1.477 -3.654 586 2HB ARG 72 2HB ARG 72 -7.697 -0.183 -4.651 587 1HG ARG 72 1HG ARG 72 -5.537 -1.782 -3.434 588 2HG ARG 72 2HG ARG 72 -6.696 -2.821 -4.261 589 1HD ARG 72 1HD ARG 72 -4.921 -2.213 -5.756 590 2HD ARG 72 2HD ARG 72 -6.447 -1.519 -6.343 591 HE ARG 72 HE ARG 72 -5.517 0.563 -4.939 592 1HH1 ARG 72 1HH1 ARG 72 -3.900 -1.422 -7.387 593 2HH1 ARG 72 2HH1 ARG 72 -2.670 -0.240 -7.719 594 1HH2 ARG 72 1HH2 ARG 72 -3.888 2.076 -5.305 595 2HH2 ARG 72 2HH2 ARG 72 -2.681 1.806 -6.527 596 H ALA 73 H ALA 73 -5.017 0.173 -1.157 597 HA ALA 73 HA ALA 73 -4.045 2.531 -2.730 598 1HB ALA 73 1HB ALA 73 -4.536 3.026 -0.348 599 2HB ALA 73 2HB ALA 73 -3.347 1.796 0.122 600 3HB ALA 73 3HB ALA 73 -2.828 3.226 -0.789 601 H ASP 74 H ASP 74 -2.055 2.406 -3.610 602 HA ASP 74 HA ASP 74 -0.385 0.004 -3.095 603 1HB ASP 74 1HB ASP 74 -1.203 -0.040 -5.390 604 2HB ASP 74 2HB ASP 74 -0.492 1.565 -5.687 605 H ILE 75 H ILE 75 1.432 0.518 -2.141 606 HA ILE 75 HA ILE 75 2.373 3.341 -1.962 607 HB ILE 75 HB ILE 75 2.983 1.151 0.032 608 1HG1 ILE 75 1HG1 ILE 75 0.566 1.114 0.042 609 2HG1 ILE 75 2HG1 ILE 75 1.191 1.826 1.518 610 1HG2 ILE 75 1HG2 ILE 75 4.330 3.170 0.179 611 2HG2 ILE 75 2HG2 ILE 75 2.875 4.176 0.305 612 3HG2 ILE 75 3HG2 ILE 75 3.281 3.030 1.593 613 1HD1 ILE 75 1HD1 ILE 75 0.620 4.078 0.745 614 2HD1 ILE 75 2HD1 ILE 75 0.086 3.445 -0.827 615 3HD1 ILE 75 3HD1 ILE 75 -0.790 3.008 0.643 616 H SER 76 H SER 76 4.728 3.535 -2.111 617 HA SER 76 HA SER 76 6.147 1.068 -3.021 618 1HB SER 76 1HB SER 76 5.810 2.495 -4.950 619 2HB SER 76 2HB SER 76 6.525 3.886 -4.096 620 HG SER 76 HG SER 76 8.014 2.699 -5.475 621 H GLU 77 H GLU 77 8.234 0.904 -2.326 622 HA GLU 77 HA GLU 77 9.194 2.626 -0.072 623 1HB GLU 77 1HB GLU 77 8.068 0.437 0.600 624 2HB GLU 77 2HB GLU 77 9.355 -0.392 -0.290 625 1HG GLU 77 1HG GLU 77 9.510 1.143 2.316 626 2HG GLU 77 2HG GLU 77 9.979 -0.509 1.981 627 H ASP 78 H ASP 78 11.046 3.533 -0.917 628 HA ASP 78 HA ASP 78 12.518 2.178 -3.105 629 1HB ASP 78 1HB ASP 78 12.205 4.593 -3.231 630 2HB ASP 78 2HB ASP 78 13.063 4.807 -1.699 631 H TYR 79 H TYR 79 14.109 0.773 -2.709 632 HA TYR 79 HA TYR 79 14.659 -0.194 -0.123 633 1HB TYR 79 1HB TYR 79 14.805 -1.598 -2.094 634 2HB TYR 79 2HB TYR 79 16.042 -0.557 -2.800 635 HD1 TYR 79 HD1 TYR 79 15.722 -2.186 0.601 636 HD2 TYR 79 HD2 TYR 79 17.978 -1.816 -3.063 637 HE1 TYR 79 HE1 TYR 79 17.411 -3.749 1.481 638 HE2 TYR 79 HE2 TYR 79 19.672 -3.381 -2.167 639 HH TYR 79 HH TYR 79 19.389 -4.862 1.071 640 H LYS 80 H LYS 80 16.721 1.771 -2.301 641 HA LYS 80 HA LYS 80 18.967 1.685 -0.511 642 1HB LYS 80 1HB LYS 80 19.073 2.000 -2.989 643 2HB LYS 80 2HB LYS 80 18.462 3.653 -2.782 644 1HG LYS 80 1HG LYS 80 20.428 4.135 -1.277 645 2HG LYS 80 2HG LYS 80 21.031 2.504 -1.577 646 1HD LYS 80 1HD LYS 80 20.619 4.688 -3.682 647 2HD LYS 80 2HD LYS 80 22.158 4.234 -2.939 648 1HE LYS 80 1HE LYS 80 21.858 1.892 -3.865 649 2HE LYS 80 2HE LYS 80 20.434 2.474 -4.746 650 1HZ LYS 80 1HZ LYS 80 21.844 4.060 -5.845 651 2HZ LYS 80 2HZ LYS 80 23.168 3.500 -5.040 652 3HZ LYS 80 3HZ LYS 80 22.372 2.519 -6.097 653 H THR 81 H THR 81 16.443 4.122 -1.191 654 HA THR 81 HA THR 81 17.547 6.083 0.633 655 HB THR 81 HB THR 81 14.705 5.932 -0.437 656 HG1 THR 81 HG1 THR 81 16.100 5.783 -2.179 657 1HG2 THR 81 1HG2 THR 81 15.060 7.696 1.257 658 2HG2 THR 81 2HG2 THR 81 16.479 8.279 0.358 659 3HG2 THR 81 3HG2 THR 81 14.858 8.400 -0.356 660 H ARG 82 H ARG 82 15.300 3.352 0.912 661 HA ARG 82 HA ARG 82 13.984 2.564 2.502 662 1HB ARG 82 1HB ARG 82 15.831 3.929 4.498 663 2HB ARG 82 2HB ARG 82 14.639 2.659 4.805 664 1HG ARG 82 1HG ARG 82 15.847 1.170 3.172 665 2HG ARG 82 2HG ARG 82 17.135 2.385 3.077 666 1HD ARG 82 1HD ARG 82 16.199 0.938 5.591 667 2HD ARG 82 2HD ARG 82 17.669 0.569 4.662 668 HE ARG 82 HE ARG 82 17.818 3.289 5.313 669 1HH1 ARG 82 1HH1 ARG 82 17.746 0.190 7.023 670 2HH1 ARG 82 2HH1 ARG 82 18.669 0.756 8.382 671 1HH2 ARG 82 1HH2 ARG 82 19.041 4.051 7.092 672 2HH2 ARG 82 2HH2 ARG 82 19.429 2.998 8.419 673 H GLY 83 H GLY 83 12.923 4.510 1.190 674 1HA GLY 83 1HA GLY 83 11.435 6.218 3.140 675 2HA GLY 83 2HA GLY 83 12.151 6.931 1.680 676 H ARG 84 H ARG 84 9.243 6.406 2.594 677 HA ARG 84 HA ARG 84 8.348 4.616 0.414 678 1HB ARG 84 1HB ARG 84 6.842 5.514 2.883 679 2HB ARG 84 2HB ARG 84 6.318 4.326 1.705 680 1HG ARG 84 1HG ARG 84 6.983 3.063 3.493 681 2HG ARG 84 2HG ARG 84 8.235 2.875 2.272 682 1HD ARG 84 1HD ARG 84 9.832 4.028 3.571 683 2HD ARG 84 2HD ARG 84 8.619 4.917 4.496 684 HE ARG 84 HE ARG 84 9.754 2.303 5.028 685 1HH1 ARG 84 1HH1 ARG 84 6.893 4.303 5.549 686 2HH1 ARG 84 2HH1 ARG 84 6.440 3.534 7.046 687 1HH2 ARG 84 1HH2 ARG 84 9.176 1.272 6.976 688 2HH2 ARG 84 2HH2 ARG 84 7.748 1.757 7.853 689 H LYS 85 H LYS 85 6.107 5.125 -0.296 690 HA LYS 85 HA LYS 85 5.127 7.824 -0.202 691 1HB LYS 85 1HB LYS 85 5.484 8.397 -2.577 692 2HB LYS 85 2HB LYS 85 7.016 8.190 -1.718 693 1HG LYS 85 1HG LYS 85 6.719 5.657 -2.624 694 2HG LYS 85 2HG LYS 85 5.779 6.483 -3.871 695 1HD LYS 85 1HD LYS 85 8.648 7.036 -2.984 696 2HD LYS 85 2HD LYS 85 8.185 6.156 -4.442 697 1HE LYS 85 1HE LYS 85 7.615 9.119 -3.883 698 2HE LYS 85 2HE LYS 85 8.857 8.486 -4.969 699 1HZ LYS 85 1HZ LYS 85 7.118 7.513 -6.293 700 2HZ LYS 85 2HZ LYS 85 5.961 8.132 -5.292 701 3HZ LYS 85 3HZ LYS 85 6.926 9.144 -6.161 702 H LEU 86 H LEU 86 2.983 7.986 -0.944 703 HA LEU 86 HA LEU 86 1.601 5.511 -1.570 704 1HB LEU 86 1HB LEU 86 0.563 7.365 -0.342 705 2HB LEU 86 2HB LEU 86 0.716 8.419 -1.749 706 HG LEU 86 HG LEU 86 -0.590 5.845 -2.424 707 1HD1 LEU 86 1HD1 LEU 86 -1.313 5.999 -0.083 708 2HD1 LEU 86 2HD1 LEU 86 -1.982 7.622 -0.383 709 3HD1 LEU 86 3HD1 LEU 86 -2.663 6.197 -1.203 710 1HD2 LEU 86 1HD2 LEU 86 -1.552 8.735 -2.626 711 2HD2 LEU 86 2HD2 LEU 86 -0.586 7.896 -3.859 712 3HD2 LEU 86 3HD2 LEU 86 -2.218 7.332 -3.484 713 H LEU 87 H LEU 87 1.544 4.599 -3.615 714 HA LEU 87 HA LEU 87 2.682 6.105 -5.874 715 1HB LEU 87 1HB LEU 87 3.074 3.558 -5.249 716 2HB LEU 87 2HB LEU 87 1.503 3.330 -6.013 717 HG LEU 87 HG LEU 87 2.433 4.590 -8.031 718 1HD1 LEU 87 1HD1 LEU 87 4.495 5.542 -6.979 719 2HD1 LEU 87 2HD1 LEU 87 5.094 3.895 -6.706 720 3HD1 LEU 87 3HD1 LEU 87 4.879 4.503 -8.356 721 1HD2 LEU 87 1HD2 LEU 87 3.637 1.891 -7.292 722 2HD2 LEU 87 2HD2 LEU 87 2.038 2.163 -8.018 723 3HD2 LEU 87 3HD2 LEU 87 3.502 2.553 -8.934 724 H ARG 88 H ARG 88 -0.332 4.488 -4.867 725 HA ARG 88 HA ARG 88 -1.977 6.372 -6.358 726 1HB ARG 88 1HB ARG 88 -1.163 3.786 -7.548 727 2HB ARG 88 2HB ARG 88 -2.914 3.931 -7.438 728 1HG ARG 88 1HG ARG 88 -3.066 5.564 -8.980 729 2HG ARG 88 2HG ARG 88 -1.562 6.368 -8.538 730 1HD ARG 88 1HD ARG 88 -1.566 3.675 -9.937 731 2HD ARG 88 2HD ARG 88 -1.641 5.219 -10.813 732 HE ARG 88 HE ARG 88 0.508 5.515 -9.069 733 1HH1 ARG 88 1HH1 ARG 88 -0.363 3.337 -11.716 734 2HH1 ARG 88 2HH1 ARG 88 1.250 3.245 -12.366 735 1HH2 ARG 88 1HH2 ARG 88 2.604 5.465 -9.956 736 2HH2 ARG 88 2HH2 ARG 88 2.979 4.466 -11.333 737 H PHE 89 H PHE 89 -4.112 6.344 -5.742 738 HA PHE 89 HA PHE 89 -4.946 4.485 -3.555 739 1HB PHE 89 1HB PHE 89 -4.274 6.711 -2.668 740 2HB PHE 89 2HB PHE 89 -5.357 7.495 -3.797 741 HD1 PHE 89 HD1 PHE 89 -7.736 7.631 -3.365 742 HD2 PHE 89 HD2 PHE 89 -5.144 5.382 -0.750 743 HE1 PHE 89 HE1 PHE 89 -9.454 7.709 -1.584 744 HE2 PHE 89 HE2 PHE 89 -6.910 5.383 0.994 745 HZ PHE 89 HZ PHE 89 -9.081 6.519 0.561 746 H ASN 90 H ASN 90 -6.607 3.283 -4.484 747 HA ASN 90 HA ASN 90 -8.468 4.676 -6.372 748 1HB ASN 90 1HB ASN 90 -7.615 1.764 -6.243 749 2HB ASN 90 2HB ASN 90 -8.866 2.422 -7.288 750 1HD2 ASN 90 1HD2 ASN 90 -5.781 1.349 -7.484 751 2HD2 ASN 90 2HD2 ASN 90 -5.226 2.376 -8.796 752 H GLY 91 H GLY 91 -10.628 4.198 -6.119 753 1HA GLY 91 1HA GLY 91 -12.197 2.538 -5.039 754 2HA GLY 91 2HA GLY 91 -11.468 3.036 -3.503 755 HA PRO 92 HA PRO 92 -13.224 3.134 -2.147 756 1HB PRO 92 1HB PRO 92 -15.903 3.020 -1.643 757 2HB PRO 92 2HB PRO 92 -14.831 4.320 -1.053 758 1HG PRO 92 1HG PRO 92 -16.576 4.355 -3.538 759 2HG PRO 92 2HG PRO 92 -16.501 5.594 -2.247 760 1HD PRO 92 1HD PRO 92 -15.081 5.849 -4.563 761 2HD PRO 92 2HD PRO 92 -14.374 6.352 -3.004 762 H VAL 93 H VAL 93 -13.819 0.868 -2.144 763 HA VAL 93 HA VAL 93 -15.307 -0.153 -4.488 764 HB VAL 93 HB VAL 93 -13.469 -2.046 -4.465 765 1HG1 VAL 93 1HG1 VAL 93 -14.021 -0.718 -6.424 766 2HG1 VAL 93 2HG1 VAL 93 -13.019 0.623 -5.850 767 3HG1 VAL 93 3HG1 VAL 93 -12.265 -0.919 -6.287 768 1HG2 VAL 93 1HG2 VAL 93 -11.748 0.328 -3.597 769 2HG2 VAL 93 2HG2 VAL 93 -12.134 -1.076 -2.582 770 3HG2 VAL 93 3HG2 VAL 93 -11.201 -1.281 -4.078 771 HA PRO 94 HA PRO 94 -16.813 -2.738 -1.153 772 1HB PRO 94 1HB PRO 94 -18.255 -4.602 -2.524 773 2HB PRO 94 2HB PRO 94 -18.762 -2.887 -2.462 774 1HG PRO 94 1HG PRO 94 -17.182 -4.274 -4.650 775 2HG PRO 94 2HG PRO 94 -18.641 -3.260 -4.838 776 1HD PRO 94 1HD PRO 94 -16.097 -2.279 -5.154 777 2HD PRO 94 2HD PRO 94 -17.412 -1.277 -4.463 778 HA PRO 95 HA PRO 95 -13.910 -6.223 -1.310 779 1HB PRO 95 1HB PRO 95 -14.988 -7.983 0.485 780 2HB PRO 95 2HB PRO 95 -14.253 -6.436 0.999 781 1HG PRO 95 1HG PRO 95 -17.189 -7.030 0.528 782 2HG PRO 95 2HG PRO 95 -16.452 -6.239 1.951 783 1HD PRO 95 1HD PRO 95 -17.567 -4.831 -0.119 784 2HD PRO 95 2HD PRO 95 -16.139 -4.215 0.758 785 HA PRO 96 HA PRO 96 -16.009 -8.927 -4.234 786 1HB PRO 96 1HB PRO 96 -14.466 -11.184 -4.211 787 2HB PRO 96 2HB PRO 96 -13.902 -9.635 -4.902 788 1HG PRO 96 1HG PRO 96 -13.348 -10.723 -2.126 789 2HG PRO 96 2HG PRO 96 -12.165 -10.080 -3.302 790 1HD PRO 96 1HD PRO 96 -13.176 -8.538 -1.298 791 2HD PRO 96 2HD PRO 96 -12.886 -7.842 -2.921 Start of MODEL 14 1 1H GLY 1 1H GLY 1 9.613 -11.826 -1.460 2 2H GLY 1 2H GLY 1 10.813 -10.827 -1.984 3 3H GLY 1 3H GLY 1 10.161 -10.615 -0.485 4 1HA GLY 1 1HA GLY 1 8.047 -10.011 -1.421 5 2HA GLY 1 2HA GLY 1 9.351 -8.941 -1.959 6 H GLU 2 H GLU 2 7.898 -12.097 -2.890 7 HA GLU 2 HA GLU 2 7.778 -11.206 -5.741 8 1HB GLU 2 1HB GLU 2 9.431 -13.101 -5.111 9 2HB GLU 2 2HB GLU 2 8.001 -14.104 -4.853 10 1HG GLU 2 1HG GLU 2 8.807 -12.648 -7.421 11 2HG GLU 2 2HG GLU 2 8.940 -14.381 -7.112 12 H TRP 3 H TRP 3 5.778 -10.283 -5.340 13 HA TRP 3 HA TRP 3 3.652 -10.053 -4.489 14 1HB TRP 3 1HB TRP 3 3.560 -12.111 -6.687 15 2HB TRP 3 2HB TRP 3 2.088 -11.460 -5.957 16 HD1 TRP 3 HD1 TRP 3 3.942 -10.882 -8.903 17 HE1 TRP 3 HE1 TRP 3 3.693 -8.508 -9.808 18 HE3 TRP 3 HE3 TRP 3 1.946 -8.629 -4.748 19 HZ2 TRP 3 HZ2 TRP 3 2.812 -5.917 -8.827 20 HZ3 TRP 3 HZ3 TRP 3 1.638 -6.188 -4.694 21 HH2 TRP 3 HH2 TRP 3 1.928 -4.836 -6.763 22 H GLU 4 H GLU 4 4.076 -10.723 -2.321 23 HA GLU 4 HA GLU 4 2.602 -13.250 -1.638 24 1HB GLU 4 1HB GLU 4 5.031 -13.474 -1.340 25 2HB GLU 4 2HB GLU 4 5.005 -12.121 -0.177 26 1HG GLU 4 1HG GLU 4 3.582 -13.464 1.328 27 2HG GLU 4 2HG GLU 4 3.485 -14.755 0.115 28 H ILE 5 H ILE 5 1.402 -13.182 0.234 29 HA ILE 5 HA ILE 5 0.180 -10.609 0.798 30 HB ILE 5 HB ILE 5 -0.386 -13.228 2.172 31 1HG1 ILE 5 1HG1 ILE 5 -1.640 -12.168 -0.407 32 2HG1 ILE 5 2HG1 ILE 5 -0.604 -13.599 -0.276 33 1HG2 ILE 5 1HG2 ILE 5 -1.318 -11.131 3.192 34 2HG2 ILE 5 2HG2 ILE 5 -2.200 -10.839 1.680 35 3HG2 ILE 5 3HG2 ILE 5 -2.553 -12.264 2.679 36 1HD1 ILE 5 1HD1 ILE 5 -2.289 -14.643 1.256 37 2HD1 ILE 5 2HD1 ILE 5 -3.394 -13.298 0.870 38 3HD1 ILE 5 3HD1 ILE 5 -2.834 -14.378 -0.413 39 H ILE 6 H ILE 6 0.443 -9.477 2.767 40 HA ILE 6 HA ILE 6 2.596 -10.443 4.600 41 HB ILE 6 HB ILE 6 2.908 -8.115 5.191 42 1HG1 ILE 6 1HG1 ILE 6 1.133 -7.361 2.835 43 2HG1 ILE 6 2HG1 ILE 6 0.620 -7.265 4.530 44 1HG2 ILE 6 1HG2 ILE 6 4.245 -9.288 3.407 45 2HG2 ILE 6 2HG2 ILE 6 3.184 -8.553 2.186 46 3HG2 ILE 6 3HG2 ILE 6 4.202 -7.535 3.227 47 1HD1 ILE 6 1HD1 ILE 6 2.512 -5.700 4.977 48 2HD1 ILE 6 2HD1 ILE 6 2.899 -5.720 3.242 49 3HD1 ILE 6 3HD1 ILE 6 1.342 -5.086 3.785 50 H ASP 7 H ASP 7 2.322 -10.044 6.845 51 HA ASP 7 HA ASP 7 -0.238 -10.699 7.886 52 1HB ASP 7 1HB ASP 7 2.200 -9.466 9.257 53 2HB ASP 7 2HB ASP 7 0.827 -10.222 10.073 54 H ILE 8 H ILE 8 -1.804 -9.380 8.780 55 HA ILE 8 HA ILE 8 -1.563 -6.463 8.496 56 HB ILE 8 HB ILE 8 -3.991 -6.803 9.423 57 1HG1 ILE 8 1HG1 ILE 8 -5.182 -8.575 8.148 58 2HG1 ILE 8 2HG1 ILE 8 -3.651 -9.345 7.755 59 1HG2 ILE 8 1HG2 ILE 8 -3.296 -5.612 7.365 60 2HG2 ILE 8 2HG2 ILE 8 -3.149 -7.172 6.528 61 3HG2 ILE 8 3HG2 ILE 8 -4.742 -6.581 7.055 62 1HD1 ILE 8 1HD1 ILE 8 -4.749 -8.893 10.569 63 2HD1 ILE 8 2HD1 ILE 8 -4.912 -10.393 9.638 64 3HD1 ILE 8 3HD1 ILE 8 -3.305 -9.854 10.151 65 H GLY 9 H GLY 9 -0.844 -5.339 10.163 66 1HA GLY 9 1HA GLY 9 -1.511 -5.814 12.929 67 2HA GLY 9 2HA GLY 9 0.111 -6.418 12.493 68 HA PRO 10 HA PRO 10 0.039 -1.870 13.717 69 1HB PRO 10 1HB PRO 10 2.635 -1.822 14.809 70 2HB PRO 10 2HB PRO 10 1.092 -2.060 15.673 71 1HG PRO 10 1HG PRO 10 3.003 -4.164 14.664 72 2HG PRO 10 2HG PRO 10 2.140 -4.111 16.228 73 1HD PRO 10 1HD PRO 10 1.249 -5.665 14.234 74 2HD PRO 10 2HD PRO 10 0.070 -4.723 15.188 75 H PHE 11 H PHE 11 2.860 -3.516 12.213 76 HA PHE 11 HA PHE 11 3.990 -1.390 10.808 77 1HB PHE 11 1HB PHE 11 5.004 -3.582 10.895 78 2HB PHE 11 2HB PHE 11 3.621 -4.327 10.106 79 HD1 PHE 11 HD1 PHE 11 6.591 -2.156 9.573 80 HD2 PHE 11 HD2 PHE 11 3.363 -4.326 7.699 81 HE1 PHE 11 HE1 PHE 11 7.771 -2.048 7.393 82 HE2 PHE 11 HE2 PHE 11 4.508 -4.136 5.515 83 HZ PHE 11 HZ PHE 11 6.733 -3.037 5.365 84 H THR 12 H THR 12 1.395 -3.635 9.683 85 HA THR 12 HA THR 12 1.027 -2.424 7.175 86 HB THR 12 HB THR 12 -1.255 -3.906 8.310 87 HG1 THR 12 HG1 THR 12 0.522 -5.794 8.233 88 1HG2 THR 12 1HG2 THR 12 -0.771 -3.689 5.882 89 2HG2 THR 12 2HG2 THR 12 0.749 -4.576 6.124 90 3HG2 THR 12 3HG2 THR 12 -0.809 -5.385 6.394 91 H GLN 13 H GLN 13 -0.606 -2.050 10.337 92 HA GLN 13 HA GLN 13 -2.667 -0.267 9.568 93 1HB GLN 13 1HB GLN 13 -1.095 -0.656 12.145 94 2HB GLN 13 2HB GLN 13 -2.470 0.426 11.997 95 1HG GLN 13 1HG GLN 13 -3.994 -1.370 11.558 96 2HG GLN 13 2HG GLN 13 -2.686 -2.526 11.293 97 1HE2 GLN 13 1HE2 GLN 13 -3.915 -0.284 13.864 98 2HE2 GLN 13 2HE2 GLN 13 -3.572 -1.401 15.171 99 H ASN 14 H ASN 14 0.722 0.330 10.694 100 HA ASN 14 HA ASN 14 0.633 3.138 10.561 101 1HB ASN 14 1HB ASN 14 2.476 1.882 11.608 102 2HB ASN 14 2HB ASN 14 3.009 1.308 10.029 103 1HD2 ASN 14 1HD2 ASN 14 2.718 4.210 12.084 104 2HD2 ASN 14 2HD2 ASN 14 3.833 5.168 11.126 105 H LEU 15 H LEU 15 1.618 0.784 7.993 106 HA LEU 15 HA LEU 15 2.055 2.750 5.997 107 1HB LEU 15 1HB LEU 15 1.486 -0.186 6.007 108 2HB LEU 15 2HB LEU 15 1.097 0.650 4.508 109 HG LEU 15 HG LEU 15 3.812 0.781 5.854 110 1HD1 LEU 15 1HD1 LEU 15 3.274 -1.488 5.032 111 2HD1 LEU 15 2HD1 LEU 15 2.817 -0.822 3.448 112 3HD1 LEU 15 3HD1 LEU 15 4.500 -0.743 3.994 113 1HD2 LEU 15 1HD2 LEU 15 2.756 1.773 3.151 114 2HD2 LEU 15 2HD2 LEU 15 3.511 2.761 4.415 115 3HD2 LEU 15 3HD2 LEU 15 4.479 1.609 3.510 116 H GLY 16 H GLY 16 -0.933 1.045 6.903 117 1HA GLY 16 1HA GLY 16 -2.650 2.116 4.914 118 2HA GLY 16 2HA GLY 16 -3.148 1.588 6.531 119 H LYS 17 H LYS 17 -2.119 3.279 8.286 120 HA LYS 17 HA LYS 17 -3.512 5.613 8.149 121 1HB LYS 17 1HB LYS 17 -1.873 4.345 10.014 122 2HB LYS 17 2HB LYS 17 -0.912 5.761 9.650 123 1HG LYS 17 1HG LYS 17 -3.770 5.680 10.703 124 2HG LYS 17 2HG LYS 17 -2.309 6.221 11.546 125 1HD LYS 17 1HD LYS 17 -2.053 7.976 9.679 126 2HD LYS 17 2HD LYS 17 -3.680 7.525 9.154 127 1HE LYS 17 1HE LYS 17 -3.928 9.467 10.523 128 2HE LYS 17 2HE LYS 17 -4.551 8.095 11.454 129 1HZ LYS 17 1HZ LYS 17 -2.458 8.056 12.630 130 2HZ LYS 17 2HZ LYS 17 -1.891 9.320 11.737 131 3HZ LYS 17 3HZ LYS 17 -3.166 9.535 12.757 132 H PHE 18 H PHE 18 -0.089 5.115 7.325 133 HA PHE 18 HA PHE 18 0.543 7.761 6.551 134 1HB PHE 18 1HB PHE 18 2.337 6.201 6.808 135 2HB PHE 18 2HB PHE 18 1.624 5.070 5.673 136 HD1 PHE 18 HD1 PHE 18 2.224 5.080 3.382 137 HD2 PHE 18 HD2 PHE 18 3.017 8.565 5.803 138 HE1 PHE 18 HE1 PHE 18 3.436 6.129 1.491 139 HE2 PHE 18 HE2 PHE 18 4.217 9.606 3.897 140 HZ PHE 18 HZ PHE 18 4.477 8.376 1.766 141 H ALA 19 H ALA 19 -0.749 5.089 4.558 142 HA ALA 19 HA ALA 19 -0.855 6.541 2.117 143 1HB ALA 19 1HB ALA 19 -1.158 4.098 2.265 144 2HB ALA 19 2HB ALA 19 -2.729 4.326 3.061 145 3HB ALA 19 3HB ALA 19 -2.496 4.876 1.392 146 H VAL 20 H VAL 20 -3.289 6.145 4.681 147 HA VAL 20 HA VAL 20 -5.282 7.847 3.529 148 HB VAL 20 HB VAL 20 -4.653 7.096 6.423 149 1HG1 VAL 20 1HG1 VAL 20 -5.881 9.211 6.544 150 2HG1 VAL 20 2HG1 VAL 20 -7.057 8.619 5.343 151 3HG1 VAL 20 3HG1 VAL 20 -6.969 7.885 6.950 152 1HG2 VAL 20 1HG2 VAL 20 -7.031 6.263 4.751 153 2HG2 VAL 20 2HG2 VAL 20 -5.512 5.337 4.726 154 3HG2 VAL 20 3HG2 VAL 20 -6.436 5.531 6.227 155 H ASP 21 H ASP 21 -2.564 8.597 5.737 156 HA ASP 21 HA ASP 21 -3.227 11.295 6.215 157 1HB ASP 21 1HB ASP 21 -1.709 10.138 7.655 158 2HB ASP 21 2HB ASP 21 -0.611 9.748 6.332 159 H GLU 22 H GLU 22 -1.062 9.774 3.834 160 HA GLU 22 HA GLU 22 -0.202 12.205 2.638 161 1HB GLU 22 1HB GLU 22 1.025 10.060 2.563 162 2HB GLU 22 2HB GLU 22 -0.169 9.401 1.433 163 1HG GLU 22 1HG GLU 22 0.502 10.890 -0.300 164 2HG GLU 22 2HG GLU 22 1.215 12.044 0.834 165 H GLU 23 H GLU 23 -2.835 9.836 1.700 166 HA GLU 23 HA GLU 23 -3.706 11.441 -0.463 167 1HB GLU 23 1HB GLU 23 -4.512 9.177 -0.054 168 2HB GLU 23 2HB GLU 23 -5.441 9.716 1.355 169 1HG GLU 23 1HG GLU 23 -5.773 11.169 -1.292 170 2HG GLU 23 2HG GLU 23 -6.471 9.574 -1.163 171 H ASN 24 H ASN 24 -4.607 11.644 3.022 172 HA ASN 24 HA ASN 24 -6.567 13.674 2.848 173 1HB ASN 24 1HB ASN 24 -4.714 12.610 4.983 174 2HB ASN 24 2HB ASN 24 -5.413 14.184 5.220 175 1HD2 ASN 24 1HD2 ASN 24 -6.335 10.815 4.466 176 2HD2 ASN 24 2HD2 ASN 24 -7.799 10.859 5.459 177 H LYS 25 H LYS 25 -3.006 13.832 3.088 178 HA LYS 25 HA LYS 25 -2.585 16.549 3.376 179 1HB LYS 25 1HB LYS 25 -0.938 14.509 3.087 180 2HB LYS 25 2HB LYS 25 -1.017 14.928 1.371 181 1HG LYS 25 1HG LYS 25 0.876 15.970 2.091 182 2HG LYS 25 2HG LYS 25 -0.290 17.299 2.062 183 1HD LYS 25 1HD LYS 25 -0.580 17.151 4.498 184 2HD LYS 25 2HD LYS 25 0.396 15.677 4.578 185 1HE LYS 25 1HE LYS 25 1.446 18.405 3.692 186 2HE LYS 25 2HE LYS 25 1.634 17.710 5.311 187 1HZ LYS 25 1HZ LYS 25 2.824 15.881 4.325 188 2HZ LYS 25 2HZ LYS 25 2.707 16.567 2.831 189 3HZ LYS 25 3HZ LYS 25 3.563 17.322 4.012 190 H ILE 26 H ILE 26 -3.610 14.793 0.462 191 HA ILE 26 HA ILE 26 -3.417 17.209 -1.239 192 HB ILE 26 HB ILE 26 -4.232 14.360 -1.905 193 1HG1 ILE 26 1HG1 ILE 26 -1.553 15.740 -2.394 194 2HG1 ILE 26 2HG1 ILE 26 -1.846 14.572 -1.103 195 1HG2 ILE 26 1HG2 ILE 26 -5.104 16.094 -3.489 196 2HG2 ILE 26 2HG2 ILE 26 -3.457 16.720 -3.691 197 3HG2 ILE 26 3HG2 ILE 26 -3.877 15.094 -4.258 198 1HD1 ILE 26 1HD1 ILE 26 -2.489 12.854 -2.782 199 2HD1 ILE 26 2HD1 ILE 26 -1.970 13.971 -4.069 200 3HD1 ILE 26 3HD1 ILE 26 -0.803 13.396 -2.872 201 H GLY 27 H GLY 27 -5.874 14.846 -0.035 202 1HA GLY 27 1HA GLY 27 -7.992 15.298 0.684 203 2HA GLY 27 2HA GLY 27 -7.919 16.948 0.057 204 H GLN 28 H GLN 28 -7.075 14.076 -1.850 205 HA GLN 28 HA GLN 28 -8.604 14.853 -4.091 206 1HB GLN 28 1HB GLN 28 -7.654 12.044 -3.359 207 2HB GLN 28 2HB GLN 28 -8.207 12.591 -4.946 208 1HG GLN 28 1HG GLN 28 -6.352 14.357 -4.869 209 2HG GLN 28 2HG GLN 28 -5.738 13.512 -3.433 210 1HE2 GLN 28 1HE2 GLN 28 -6.547 13.047 -6.906 211 2HE2 GLN 28 2HE2 GLN 28 -5.369 11.771 -7.152 212 H TYR 29 H TYR 29 -9.426 12.741 -1.372 213 HA TYR 29 HA TYR 29 -12.314 12.877 -2.249 214 1HB TYR 29 1HB TYR 29 -10.814 10.585 -0.946 215 2HB TYR 29 2HB TYR 29 -12.564 10.796 -0.859 216 HD1 TYR 29 HD1 TYR 29 -9.896 9.471 -2.910 217 HD2 TYR 29 HD2 TYR 29 -13.952 10.934 -2.969 218 HE1 TYR 29 HE1 TYR 29 -10.422 7.962 -4.807 219 HE2 TYR 29 HE2 TYR 29 -14.439 9.500 -4.927 220 HH TYR 29 HH TYR 29 -12.289 6.918 -5.897 221 H GLY 30 H GLY 30 -10.986 14.904 -0.915 222 1HA GLY 30 1HA GLY 30 -11.177 16.247 0.942 223 2HA GLY 30 2HA GLY 30 -12.614 15.306 1.398 224 H ARG 31 H ARG 31 -12.076 15.157 3.608 225 HA ARG 31 HA ARG 31 -9.501 13.884 4.370 226 1HB ARG 31 1HB ARG 31 -11.575 15.476 5.934 227 2HB ARG 31 2HB ARG 31 -10.168 14.671 6.640 228 1HG ARG 31 1HG ARG 31 -8.645 16.038 5.267 229 2HG ARG 31 2HG ARG 31 -10.031 16.861 4.516 230 1HD ARG 31 1HD ARG 31 -10.750 17.711 6.712 231 2HD ARG 31 2HD ARG 31 -9.404 16.847 7.499 232 HE ARG 31 HE ARG 31 -8.310 18.497 5.489 233 1HH1 ARG 31 1HH1 ARG 31 -10.011 18.820 8.562 234 2HH1 ARG 31 2HH1 ARG 31 -9.256 20.329 8.998 235 1HH2 ARG 31 1HH2 ARG 31 -7.299 20.468 6.036 236 2HH2 ARG 31 2HH2 ARG 31 -7.681 21.285 7.527 237 H LEU 32 H LEU 32 -9.667 11.696 4.596 238 HA LEU 32 HA LEU 32 -12.119 10.570 5.903 239 1HB LEU 32 1HB LEU 32 -10.097 9.066 4.234 240 2HB LEU 32 2HB LEU 32 -11.573 8.462 5.001 241 HG LEU 32 HG LEU 32 -12.543 10.586 3.480 242 1HD1 LEU 32 1HD1 LEU 32 -10.392 10.854 2.311 243 2HD1 LEU 32 2HD1 LEU 32 -10.390 9.129 1.877 244 3HD1 LEU 32 3HD1 LEU 32 -11.629 10.210 1.221 245 1HD2 LEU 32 1HD2 LEU 32 -12.344 7.646 2.710 246 2HD2 LEU 32 2HD2 LEU 32 -13.588 8.378 3.750 247 3HD2 LEU 32 3HD2 LEU 32 -13.488 8.834 2.041 248 H THR 33 H THR 33 -11.808 9.456 7.799 249 HA THR 33 HA THR 33 -9.179 9.762 9.134 250 HB THR 33 HB THR 33 -11.880 8.787 10.171 251 HG1 THR 33 HG1 THR 33 -11.718 11.031 9.476 252 1HG2 THR 33 1HG2 THR 33 -10.017 7.981 11.581 253 2HG2 THR 33 2HG2 THR 33 -9.339 9.627 11.645 254 3HG2 THR 33 3HG2 THR 33 -10.907 9.274 12.398 255 H PHE 34 H PHE 34 -7.824 7.976 9.366 256 HA PHE 34 HA PHE 34 -8.348 5.491 8.028 257 1HB PHE 34 1HB PHE 34 -6.112 6.088 8.421 258 2HB PHE 34 2HB PHE 34 -6.361 6.356 10.148 259 HD1 PHE 34 HD1 PHE 34 -6.520 4.461 11.724 260 HD2 PHE 34 HD2 PHE 34 -5.749 3.806 7.526 261 HE1 PHE 34 HE1 PHE 34 -5.660 2.202 12.226 262 HE2 PHE 34 HE2 PHE 34 -4.923 1.534 8.042 263 HZ PHE 34 HZ PHE 34 -4.783 0.763 10.394 264 H ASN 35 H ASN 35 -9.298 3.664 8.716 265 HA ASN 35 HA ASN 35 -10.301 3.532 11.563 266 1HB ASN 35 1HB ASN 35 -11.342 2.112 9.089 267 2HB ASN 35 2HB ASN 35 -11.806 1.763 10.745 268 1HD2 ASN 35 1HD2 ASN 35 -14.021 2.278 10.390 269 2HD2 ASN 35 2HD2 ASN 35 -14.538 3.926 10.077 270 H LYS 36 H LYS 36 -9.249 1.360 8.887 271 HA LYS 36 HA LYS 36 -7.258 0.053 10.505 272 1HB LYS 36 1HB LYS 36 -8.407 -2.144 10.652 273 2HB LYS 36 2HB LYS 36 -9.116 -0.893 11.659 274 1HG LYS 36 1HG LYS 36 -10.852 -0.552 9.729 275 2HG LYS 36 2HG LYS 36 -10.174 -2.031 9.046 276 1HD LYS 36 1HD LYS 36 -12.052 -2.741 10.291 277 2HD LYS 36 2HD LYS 36 -10.671 -3.134 11.327 278 1HE LYS 36 1HE LYS 36 -11.096 -0.983 12.607 279 2HE LYS 36 2HE LYS 36 -12.483 -0.672 11.552 280 1HZ LYS 36 1HZ LYS 36 -13.460 -2.694 12.365 281 2HZ LYS 36 2HZ LYS 36 -12.163 -2.969 13.346 282 3HZ LYS 36 3HZ LYS 36 -13.126 -1.659 13.602 283 H VAL 37 H VAL 37 -6.346 -1.811 9.344 284 HA VAL 37 HA VAL 37 -6.584 -1.613 6.389 285 HB VAL 37 HB VAL 37 -4.423 -1.038 7.292 286 1HG1 VAL 37 1HG1 VAL 37 -4.444 -2.292 9.434 287 2HG1 VAL 37 2HG1 VAL 37 -4.301 -3.819 8.545 288 3HG1 VAL 37 3HG1 VAL 37 -3.006 -2.617 8.484 289 1HG2 VAL 37 1HG2 VAL 37 -4.329 -3.780 5.969 290 2HG2 VAL 37 2HG2 VAL 37 -4.503 -2.219 5.140 291 3HG2 VAL 37 3HG2 VAL 37 -3.017 -2.588 6.029 292 H ILE 38 H ILE 38 -6.891 -3.586 5.270 293 HA ILE 38 HA ILE 38 -7.366 -6.026 6.822 294 HB ILE 38 HB ILE 38 -9.625 -6.374 5.990 295 1HG1 ILE 38 1HG1 ILE 38 -9.777 -4.935 4.062 296 2HG1 ILE 38 2HG1 ILE 38 -11.081 -4.647 5.206 297 1HG2 ILE 38 1HG2 ILE 38 -9.287 -5.632 8.269 298 2HG2 ILE 38 2HG2 ILE 38 -9.476 -3.939 7.781 299 3HG2 ILE 38 3HG2 ILE 38 -10.828 -5.069 7.608 300 1HD1 ILE 38 1HD1 ILE 38 -9.746 -2.591 6.025 301 2HD1 ILE 38 2HD1 ILE 38 -8.730 -2.844 4.595 302 3HD1 ILE 38 3HD1 ILE 38 -10.440 -2.513 4.400 303 H ARG 39 H ARG 39 -7.879 -7.844 5.479 304 HA ARG 39 HA ARG 39 -5.951 -8.037 3.426 305 1HB ARG 39 1HB ARG 39 -6.865 -10.313 3.048 306 2HB ARG 39 2HB ARG 39 -6.550 -9.959 4.747 307 1HG ARG 39 1HG ARG 39 -8.940 -9.668 5.176 308 2HG ARG 39 2HG ARG 39 -9.311 -9.765 3.448 309 1HD ARG 39 1HD ARG 39 -9.839 -11.854 4.570 310 2HD ARG 39 2HD ARG 39 -8.592 -12.106 3.366 311 HE ARG 39 HE ARG 39 -8.356 -12.139 6.337 312 1HH1 ARG 39 1HH1 ARG 39 -6.652 -12.585 3.253 313 2HH1 ARG 39 2HH1 ARG 39 -5.358 -13.508 3.964 314 1HH2 ARG 39 1HH2 ARG 39 -6.671 -13.331 7.243 315 2HH2 ARG 39 2HH2 ARG 39 -5.359 -13.920 6.261 316 HA PRO 40 HA PRO 40 -5.624 -9.392 1.454 317 1HB PRO 40 1HB PRO 40 -4.864 -8.886 -1.092 318 2HB PRO 40 2HB PRO 40 -6.214 -9.988 -0.701 319 1HG PRO 40 1HG PRO 40 -6.379 -7.078 -1.495 320 2HG PRO 40 2HG PRO 40 -7.301 -8.444 -2.184 321 1HD PRO 40 1HD PRO 40 -8.365 -6.846 -0.221 322 2HD PRO 40 2HD PRO 40 -8.686 -8.598 -0.261 323 H CYS 41 H CYS 41 -3.395 -8.831 1.545 324 HA CYS 41 HA CYS 41 -2.613 -6.004 1.196 325 1HB CYS 41 1HB CYS 41 -2.076 -7.681 3.711 326 2HB CYS 41 2HB CYS 41 -1.417 -6.090 3.313 327 HG CYS 41 HG CYS 41 -4.200 -5.395 2.847 328 H MET 42 H MET 42 -1.235 -6.427 -0.528 329 HA MET 42 HA MET 42 0.601 -8.769 -0.314 330 1HB MET 42 1HB MET 42 -1.194 -7.816 -2.454 331 2HB MET 42 2HB MET 42 0.477 -7.918 -2.995 332 1HG MET 42 1HG MET 42 0.624 -10.237 -2.166 333 2HG MET 42 2HG MET 42 -1.083 -10.163 -1.689 334 1HE MET 42 1HE MET 42 0.224 -12.444 -3.446 335 2HE MET 42 2HE MET 42 -1.511 -12.408 -3.045 336 3HE MET 42 3HE MET 42 -0.990 -12.641 -4.730 337 H LYS 43 H LYS 43 2.726 -8.526 -0.989 338 HA LYS 43 HA LYS 43 3.529 -5.852 -1.955 339 1HB LYS 43 1HB LYS 43 5.235 -5.508 -0.481 340 2HB LYS 43 2HB LYS 43 3.955 -6.149 0.565 341 1HG LYS 43 1HG LYS 43 5.075 -8.322 0.658 342 2HG LYS 43 2HG LYS 43 6.294 -7.804 -0.520 343 1HD LYS 43 1HD LYS 43 7.089 -6.024 0.948 344 2HD LYS 43 2HD LYS 43 5.890 -6.458 2.173 345 1HE LYS 43 1HE LYS 43 6.928 -8.710 2.393 346 2HE LYS 43 2HE LYS 43 8.116 -8.284 1.145 347 1HZ LYS 43 1HZ LYS 43 8.893 -6.534 2.569 348 2HZ LYS 43 2HZ LYS 43 7.795 -6.932 3.732 349 3HZ LYS 43 3HZ LYS 43 8.993 -7.990 3.332 350 H LYS 44 H LYS 44 5.507 -5.722 -3.136 351 HA LYS 44 HA LYS 44 6.783 -8.200 -3.920 352 1HB LYS 44 1HB LYS 44 4.828 -8.165 -5.308 353 2HB LYS 44 2HB LYS 44 5.225 -6.586 -5.976 354 1HG LYS 44 1HG LYS 44 7.287 -8.769 -6.275 355 2HG LYS 44 2HG LYS 44 5.781 -8.996 -7.152 356 1HD LYS 44 1HD LYS 44 5.967 -6.929 -8.331 357 2HD LYS 44 2HD LYS 44 7.327 -6.404 -7.343 358 1HE LYS 44 1HE LYS 44 8.659 -8.376 -8.214 359 2HE LYS 44 2HE LYS 44 7.304 -8.753 -9.300 360 1HZ LYS 44 1HZ LYS 44 7.598 -6.550 -10.243 361 2HZ LYS 44 2HZ LYS 44 8.866 -6.271 -9.219 362 3HZ LYS 44 3HZ LYS 44 8.978 -7.446 -10.375 363 H THR 45 H THR 45 8.774 -7.786 -5.236 364 HA THR 45 HA THR 45 10.136 -5.415 -4.292 365 HB THR 45 HB THR 45 11.131 -7.672 -6.067 366 HG1 THR 45 HG1 THR 45 10.342 -8.453 -4.125 367 1HG2 THR 45 1HG2 THR 45 12.702 -5.769 -6.052 368 2HG2 THR 45 2HG2 THR 45 12.599 -5.686 -4.276 369 3HG2 THR 45 3HG2 THR 45 13.329 -7.098 -5.065 370 H ILE 46 H ILE 46 11.002 -3.694 -5.437 371 HA ILE 46 HA ILE 46 10.337 -3.427 -8.320 372 HB ILE 46 HB ILE 46 9.644 -1.742 -6.138 373 1HG1 ILE 46 1HG1 ILE 46 8.456 -0.471 -7.887 374 2HG1 ILE 46 2HG1 ILE 46 9.275 -1.414 -9.140 375 1HG2 ILE 46 1HG2 ILE 46 11.789 -0.548 -6.450 376 2HG2 ILE 46 2HG2 ILE 46 11.399 -0.303 -8.167 377 3HG2 ILE 46 3HG2 ILE 46 10.406 0.442 -6.904 378 1HD1 ILE 46 1HD1 ILE 46 8.125 -3.457 -8.382 379 2HD1 ILE 46 2HD1 ILE 46 7.519 -2.609 -6.946 380 3HD1 ILE 46 3HD1 ILE 46 6.933 -2.166 -8.566 381 H TYR 47 H TYR 47 11.936 -2.814 -9.727 382 HA TYR 47 HA TYR 47 14.647 -2.317 -8.921 383 1HB TYR 47 1HB TYR 47 15.572 -4.442 -9.281 384 2HB TYR 47 2HB TYR 47 14.297 -4.631 -8.074 385 HD1 TYR 47 HD1 TYR 47 12.017 -5.553 -8.816 386 HD2 TYR 47 HD2 TYR 47 15.735 -6.060 -10.931 387 HE1 TYR 47 HE1 TYR 47 11.208 -7.685 -9.743 388 HE2 TYR 47 HE2 TYR 47 14.901 -8.143 -11.918 389 HH TYR 47 HH TYR 47 13.101 -9.602 -12.095 390 H GLU 48 H GLU 48 16.178 -2.992 -10.860 391 HA GLU 48 HA GLU 48 14.867 -2.085 -13.381 392 1HB GLU 48 1HB GLU 48 16.942 -0.957 -13.905 393 2HB GLU 48 2HB GLU 48 16.396 -0.438 -12.341 394 1HG GLU 48 1HG GLU 48 18.076 -1.741 -11.184 395 2HG GLU 48 2HG GLU 48 18.477 -2.672 -12.623 396 H ASN 49 H ASN 49 17.174 -2.555 -14.892 397 HA ASN 49 HA ASN 49 18.189 -5.203 -14.710 398 1HB ASN 49 1HB ASN 49 15.943 -5.843 -15.540 399 2HB ASN 49 2HB ASN 49 16.111 -4.722 -16.896 400 1HD2 ASN 49 1HD2 ASN 49 17.620 -7.633 -15.390 401 2HD2 ASN 49 2HD2 ASN 49 18.280 -8.239 -16.902 402 H GLU 50 H GLU 50 17.313 -2.579 -16.968 403 HA GLU 50 HA GLU 50 19.481 -2.909 -18.763 404 1HB GLU 50 1HB GLU 50 17.708 -0.495 -18.206 405 2HB GLU 50 2HB GLU 50 18.773 -0.692 -19.603 406 1HG GLU 50 1HG GLU 50 17.511 -2.691 -20.325 407 2HG GLU 50 2HG GLU 50 16.419 -2.529 -18.941 408 H GLY 51 H GLY 51 21.138 -3.134 -16.984 409 1HA GLY 51 1HA GLY 51 23.134 -1.259 -17.246 410 2HA GLY 51 2HA GLY 51 22.263 -0.720 -15.795 411 H PHE 52 H PHE 52 21.934 -2.260 -14.084 412 HA PHE 52 HA PHE 52 23.462 -4.776 -14.138 413 1HB PHE 52 1HB PHE 52 23.839 -2.661 -11.975 414 2HB PHE 52 2HB PHE 52 24.433 -4.314 -11.896 415 HD1 PHE 52 HD1 PHE 52 25.227 -0.966 -12.958 416 HD2 PHE 52 HD2 PHE 52 26.041 -5.119 -13.797 417 HE1 PHE 52 HE1 PHE 52 27.289 -0.324 -14.173 418 HE2 PHE 52 HE2 PHE 52 28.093 -4.467 -15.018 419 HZ PHE 52 HZ PHE 52 28.723 -2.071 -15.210 420 H ARG 53 H ARG 53 22.401 -6.336 -12.967 421 HA ARG 53 HA ARG 53 19.684 -5.866 -12.185 422 1HB ARG 53 1HB ARG 53 19.690 -8.186 -11.471 423 2HB ARG 53 2HB ARG 53 20.413 -7.978 -13.069 424 1HG ARG 53 1HG ARG 53 22.715 -8.025 -11.805 425 2HG ARG 53 2HG ARG 53 21.780 -8.676 -10.450 426 1HD ARG 53 1HD ARG 53 20.967 -10.514 -11.891 427 2HD ARG 53 2HD ARG 53 21.915 -9.850 -13.248 428 HE ARG 53 HE ARG 53 23.570 -10.256 -10.936 429 1HH1 ARG 53 1HH1 ARG 53 21.966 -12.040 -13.525 430 2HH1 ARG 53 2HH1 ARG 53 23.129 -13.336 -13.553 431 1HH2 ARG 53 1HH2 ARG 53 25.094 -11.943 -10.944 432 2HH2 ARG 53 2HH2 ARG 53 24.938 -13.284 -12.045 433 H GLU 54 H GLU 54 19.398 -4.370 -10.566 434 HA GLU 54 HA GLU 54 20.476 -5.030 -7.934 435 1HB GLU 54 1HB GLU 54 21.893 -3.249 -9.011 436 2HB GLU 54 2HB GLU 54 20.451 -2.221 -9.117 437 1HG GLU 54 1HG GLU 54 20.242 -2.318 -6.622 438 2HG GLU 54 2HG GLU 54 21.681 -3.346 -6.551 439 H ILE 55 H ILE 55 18.880 -5.168 -6.537 440 HA ILE 55 HA ILE 55 16.173 -4.342 -7.061 441 HB ILE 55 HB ILE 55 17.583 -5.200 -4.517 442 1HG1 ILE 55 1HG1 ILE 55 15.502 -6.596 -6.273 443 2HG1 ILE 55 2HG1 ILE 55 17.242 -6.859 -6.411 444 1HG2 ILE 55 1HG2 ILE 55 15.747 -3.744 -3.833 445 2HG2 ILE 55 2HG2 ILE 55 14.644 -4.527 -4.979 446 3HG2 ILE 55 3HG2 ILE 55 15.247 -5.403 -3.557 447 1HD1 ILE 55 1HD1 ILE 55 17.320 -7.642 -4.052 448 2HD1 ILE 55 2HD1 ILE 55 15.545 -7.547 -3.985 449 3HD1 ILE 55 3HD1 ILE 55 16.327 -8.649 -5.121 450 H LYS 56 H LYS 56 15.114 -2.440 -6.624 451 HA LYS 56 HA LYS 56 16.820 -0.177 -5.616 452 1HB LYS 56 1HB LYS 56 14.627 -0.271 -7.710 453 2HB LYS 56 2HB LYS 56 15.324 1.219 -7.047 454 1HG LYS 56 1HG LYS 56 17.519 0.718 -7.890 455 2HG LYS 56 2HG LYS 56 17.075 -0.937 -8.282 456 1HD LYS 56 1HD LYS 56 17.192 0.333 -10.311 457 2HD LYS 56 2HD LYS 56 15.529 -0.200 -10.023 458 1HE LYS 56 1HE LYS 56 15.498 2.057 -10.870 459 2HE LYS 56 2HE LYS 56 14.981 2.111 -9.181 460 1HZ LYS 56 1HZ LYS 56 17.206 2.800 -8.608 461 2HZ LYS 56 2HZ LYS 56 17.685 2.706 -10.184 462 3HZ LYS 56 3HZ LYS 56 16.561 3.823 -9.725 463 H GLY 57 H GLY 57 13.687 -1.882 -5.273 464 1HA GLY 57 1HA GLY 57 13.148 -0.585 -2.759 465 2HA GLY 57 2HA GLY 57 12.266 0.167 -4.115 466 H TYR 58 H TYR 58 10.355 -0.611 -2.899 467 HA TYR 58 HA TYR 58 9.511 -3.269 -3.861 468 1HB TYR 58 1HB TYR 58 8.910 -2.379 -1.033 469 2HB TYR 58 2HB TYR 58 8.717 -3.964 -1.752 470 HD1 TYR 58 HD1 TYR 58 10.721 -5.469 -2.063 471 HD2 TYR 58 HD2 TYR 58 11.054 -1.614 -0.161 472 HE1 TYR 58 HE1 TYR 58 13.083 -5.941 -1.520 473 HE2 TYR 58 HE2 TYR 58 13.402 -2.110 0.431 474 HH TYR 58 HH TYR 58 15.036 -5.121 -0.590 475 H GLU 59 H GLU 59 7.138 -3.450 -3.676 476 HA GLU 59 HA GLU 59 5.674 -0.904 -3.434 477 1HB GLU 59 1HB GLU 59 4.144 -1.565 -5.167 478 2HB GLU 59 2HB GLU 59 5.776 -1.448 -5.832 479 1HG GLU 59 1HG GLU 59 5.940 -3.982 -5.581 480 2HG GLU 59 2HG GLU 59 4.228 -3.993 -5.123 481 H TYR 60 H TYR 60 3.670 -1.129 -2.402 482 HA TYR 60 HA TYR 60 2.978 -3.767 -1.217 483 1HB TYR 60 1HB TYR 60 2.676 -1.013 0.053 484 2HB TYR 60 2HB TYR 60 2.146 -2.547 0.728 485 HD1 TYR 60 HD1 TYR 60 3.700 -4.044 1.838 486 HD2 TYR 60 HD2 TYR 60 5.083 -0.405 -0.001 487 HE1 TYR 60 HE1 TYR 60 5.795 -4.166 3.169 488 HE2 TYR 60 HE2 TYR 60 7.165 -0.532 1.319 489 HH TYR 60 HH TYR 60 8.326 -1.644 2.972 490 H GLN 61 H GLN 61 0.754 -4.150 -1.544 491 HA GLN 61 HA GLN 61 -0.947 -1.966 -2.600 492 1HB GLN 61 1HB GLN 61 0.050 -3.314 -4.494 493 2HB GLN 61 2HB GLN 61 -0.791 -4.736 -3.863 494 1HG GLN 61 1HG GLN 61 -2.962 -3.610 -4.173 495 2HG GLN 61 2HG GLN 61 -2.138 -2.103 -4.626 496 1HE2 GLN 61 1HE2 GLN 61 -3.411 -2.168 -6.651 497 2HE2 GLN 61 2HE2 GLN 61 -2.846 -3.218 -7.938 498 H LEU 62 H LEU 62 -2.600 -1.845 -1.145 499 HA LEU 62 HA LEU 62 -3.691 -4.316 0.046 500 1HB LEU 62 1HB LEU 62 -3.263 -3.458 2.339 501 2HB LEU 62 2HB LEU 62 -1.781 -3.874 1.485 502 HG LEU 62 HG LEU 62 -2.423 -1.047 1.023 503 1HD1 LEU 62 1HD1 LEU 62 -3.593 -1.220 3.180 504 2HD1 LEU 62 2HD1 LEU 62 -2.115 -1.880 3.926 505 3HD1 LEU 62 3HD1 LEU 62 -2.133 -0.220 3.294 506 1HD2 LEU 62 1HD2 LEU 62 -0.121 -2.472 2.429 507 2HD2 LEU 62 2HD2 LEU 62 -0.209 -2.051 0.701 508 3HD2 LEU 62 3HD2 LEU 62 -0.138 -0.773 1.930 509 H TYR 63 H TYR 63 -5.588 -3.875 1.467 510 HA TYR 63 HA TYR 63 -7.061 -1.522 0.490 511 1HB TYR 63 1HB TYR 63 -7.813 -4.289 1.430 512 2HB TYR 63 2HB TYR 63 -8.955 -2.963 1.487 513 HD1 TYR 63 HD1 TYR 63 -6.801 -4.944 -0.807 514 HD2 TYR 63 HD2 TYR 63 -9.807 -1.895 -0.546 515 HE1 TYR 63 HE1 TYR 63 -7.264 -5.205 -3.233 516 HE2 TYR 63 HE2 TYR 63 -10.284 -2.147 -2.968 517 HH TYR 63 HH TYR 63 -8.639 -4.584 -4.992 518 H VAL 64 H VAL 64 -7.930 -0.103 1.816 519 HA VAL 64 HA VAL 64 -7.403 -0.280 4.751 520 HB VAL 64 HB VAL 64 -7.159 2.180 2.971 521 1HG1 VAL 64 1HG1 VAL 64 -7.877 2.800 5.209 522 2HG1 VAL 64 2HG1 VAL 64 -6.663 1.728 5.945 523 3HG1 VAL 64 3HG1 VAL 64 -6.157 3.174 5.054 524 1HG2 VAL 64 1HG2 VAL 64 -4.968 0.538 4.298 525 2HG2 VAL 64 2HG2 VAL 64 -5.243 0.703 2.547 526 3HG2 VAL 64 3HG2 VAL 64 -4.742 2.107 3.493 527 H TYR 65 H TYR 65 -9.124 0.316 6.007 528 HA TYR 65 HA TYR 65 -11.619 1.248 4.719 529 1HB TYR 65 1HB TYR 65 -10.958 -0.442 7.065 530 2HB TYR 65 2HB TYR 65 -12.086 0.847 7.421 531 HD1 TYR 65 HD1 TYR 65 -12.049 -2.497 6.574 532 HD2 TYR 65 HD2 TYR 65 -14.000 1.210 5.567 533 HE1 TYR 65 HE1 TYR 65 -14.000 -3.755 5.712 534 HE2 TYR 65 HE2 TYR 65 -15.962 -0.052 4.732 535 HH TYR 65 HH TYR 65 -16.895 -2.122 4.403 536 H ALA 66 H ALA 66 -11.974 3.380 4.812 537 HA ALA 66 HA ALA 66 -10.748 5.004 6.992 538 1HB ALA 66 1HB ALA 66 -9.518 5.182 4.788 539 2HB ALA 66 2HB ALA 66 -11.030 5.816 4.092 540 3HB ALA 66 3HB ALA 66 -10.191 6.708 5.384 541 H SER 67 H SER 67 -12.283 5.917 8.121 542 HA SER 67 HA SER 67 -14.059 7.000 8.857 543 1HB SER 67 1HB SER 67 -13.965 8.350 6.695 544 2HB SER 67 2HB SER 67 -15.209 7.279 6.039 545 HG SER 67 HG SER 67 -16.501 7.892 7.888 546 H ASP 68 H ASP 68 -14.962 5.104 6.149 547 HA ASP 68 HA ASP 68 -16.015 2.779 7.364 548 1HB ASP 68 1HB ASP 68 -18.077 4.923 6.686 549 2HB ASP 68 2HB ASP 68 -18.496 3.216 6.598 550 H LYS 69 H LYS 69 -14.609 4.179 4.803 551 HA LYS 69 HA LYS 69 -16.046 2.572 2.735 552 1HB LYS 69 1HB LYS 69 -14.442 5.153 2.545 553 2HB LYS 69 2HB LYS 69 -14.993 4.203 1.165 554 1HG LYS 69 1HG LYS 69 -16.816 5.535 3.215 555 2HG LYS 69 2HG LYS 69 -16.434 6.123 1.592 556 1HD LYS 69 1HD LYS 69 -17.361 3.846 0.724 557 2HD LYS 69 2HD LYS 69 -17.995 3.619 2.364 558 1HE LYS 69 1HE LYS 69 -19.759 4.517 1.027 559 2HE LYS 69 2HE LYS 69 -19.240 5.796 2.137 560 1HZ LYS 69 1HZ LYS 69 -17.983 6.743 0.327 561 2HZ LYS 69 2HZ LYS 69 -18.435 5.520 -0.684 562 3HZ LYS 69 3HZ LYS 69 -19.560 6.574 -0.107 563 H LEU 70 H LEU 70 -14.924 1.023 1.793 564 HA LEU 70 HA LEU 70 -12.145 0.488 2.604 565 1HB LEU 70 1HB LEU 70 -13.765 -1.251 2.793 566 2HB LEU 70 2HB LEU 70 -14.266 -1.098 1.117 567 HG LEU 70 HG LEU 70 -11.350 -1.669 1.592 568 1HD1 LEU 70 1HD1 LEU 70 -12.421 -3.092 3.307 569 2HD1 LEU 70 2HD1 LEU 70 -13.515 -3.761 2.080 570 3HD1 LEU 70 3HD1 LEU 70 -11.766 -4.066 1.982 571 1HD2 LEU 70 1HD2 LEU 70 -13.506 -2.805 -0.266 572 2HD2 LEU 70 2HD2 LEU 70 -12.279 -1.599 -0.708 573 3HD2 LEU 70 3HD2 LEU 70 -11.804 -3.263 -0.308 574 H PHE 71 H PHE 71 -10.472 1.166 1.291 575 HA PHE 71 HA PHE 71 -10.927 1.314 -1.645 576 1HB PHE 71 1HB PHE 71 -9.651 3.406 -1.770 577 2HB PHE 71 2HB PHE 71 -11.146 3.607 -0.879 578 HD1 PHE 71 HD1 PHE 71 -7.454 2.996 -0.351 579 HD2 PHE 71 HD2 PHE 71 -11.072 4.890 1.063 580 HE1 PHE 71 HE1 PHE 71 -6.150 4.277 1.296 581 HE2 PHE 71 HE2 PHE 71 -9.689 6.408 2.443 582 HZ PHE 71 HZ PHE 71 -7.247 6.022 2.648 583 H ARG 72 H ARG 72 -8.921 1.287 -2.865 584 HA ARG 72 HA ARG 72 -6.945 -0.545 -1.608 585 1HB ARG 72 1HB ARG 72 -8.053 -1.032 -3.876 586 2HB ARG 72 2HB ARG 72 -7.112 0.317 -4.506 587 1HG ARG 72 1HG ARG 72 -5.001 -0.851 -3.712 588 2HG ARG 72 2HG ARG 72 -6.015 -2.189 -3.151 589 1HD ARG 72 1HD ARG 72 -5.163 -2.818 -5.291 590 2HD ARG 72 2HD ARG 72 -6.878 -2.425 -5.517 591 HE ARG 72 HE ARG 72 -5.273 -0.092 -5.983 592 1HH1 ARG 72 1HH1 ARG 72 -6.053 -3.197 -7.464 593 2HH1 ARG 72 2HH1 ARG 72 -5.876 -2.628 -9.101 594 1HH2 ARG 72 1HH2 ARG 72 -5.054 0.691 -8.116 595 2HH2 ARG 72 2HH2 ARG 72 -5.238 -0.391 -9.472 596 H ALA 73 H ALA 73 -4.857 0.158 -1.225 597 HA ALA 73 HA ALA 73 -3.954 2.753 -2.391 598 1HB ALA 73 1HB ALA 73 -4.386 3.074 0.015 599 2HB ALA 73 2HB ALA 73 -3.345 1.682 0.394 600 3HB ALA 73 3HB ALA 73 -2.654 3.138 -0.362 601 H ASP 74 H ASP 74 -2.044 2.579 -3.437 602 HA ASP 74 HA ASP 74 -0.359 0.153 -3.026 603 1HB ASP 74 1HB ASP 74 -1.466 0.216 -5.277 604 2HB ASP 74 2HB ASP 74 -0.611 1.731 -5.613 605 H ILE 75 H ILE 75 1.674 0.627 -2.447 606 HA ILE 75 HA ILE 75 2.535 3.484 -2.289 607 HB ILE 75 HB ILE 75 2.684 1.419 -0.054 608 1HG1 ILE 75 1HG1 ILE 75 1.365 3.534 1.042 609 2HG1 ILE 75 2HG1 ILE 75 0.778 3.678 -0.616 610 1HG2 ILE 75 1HG2 ILE 75 4.667 2.854 -0.064 611 2HG2 ILE 75 2HG2 ILE 75 3.634 4.300 -0.110 612 3HG2 ILE 75 3HG2 ILE 75 3.629 3.236 1.304 613 1HD1 ILE 75 1HD1 ILE 75 0.033 1.259 -0.479 614 2HD1 ILE 75 2HD1 ILE 75 0.663 1.220 1.180 615 3HD1 ILE 75 3HD1 ILE 75 -0.702 2.275 0.770 616 H SER 76 H SER 76 4.757 3.707 -2.817 617 HA SER 76 HA SER 76 6.300 1.192 -3.280 618 1HB SER 76 1HB SER 76 7.776 2.783 -4.624 619 2HB SER 76 2HB SER 76 6.208 2.331 -5.309 620 HG SER 76 HG SER 76 6.351 4.530 -5.485 621 H GLU 77 H GLU 77 8.389 1.095 -2.437 622 HA GLU 77 HA GLU 77 9.291 3.129 -0.418 623 1HB GLU 77 1HB GLU 77 8.432 1.258 0.794 624 2HB GLU 77 2HB GLU 77 9.288 0.104 -0.252 625 1HG GLU 77 1HG GLU 77 11.470 1.001 0.575 626 2HG GLU 77 2HG GLU 77 10.603 2.109 1.646 627 H ASP 78 H ASP 78 11.156 3.994 -1.162 628 HA ASP 78 HA ASP 78 12.739 2.523 -3.220 629 1HB ASP 78 1HB ASP 78 12.209 4.846 -3.726 630 2HB ASP 78 2HB ASP 78 12.913 5.375 -2.187 631 H TYR 79 H TYR 79 14.419 1.318 -2.525 632 HA TYR 79 HA TYR 79 14.938 0.954 0.219 633 1HB TYR 79 1HB TYR 79 15.210 -0.745 -1.557 634 2HB TYR 79 2HB TYR 79 16.570 0.155 -2.220 635 HD1 TYR 79 HD1 TYR 79 15.497 -1.187 1.156 636 HD2 TYR 79 HD2 TYR 79 18.631 -0.860 -1.793 637 HE1 TYR 79 HE1 TYR 79 16.919 -2.688 2.501 638 HE2 TYR 79 HE2 TYR 79 20.058 -2.357 -0.430 639 HH TYR 79 HH TYR 79 18.941 -3.787 2.645 640 H LYS 80 H LYS 80 16.830 2.736 -2.272 641 HA LYS 80 HA LYS 80 19.066 3.266 -0.585 642 1HB LYS 80 1HB LYS 80 18.048 4.244 -3.250 643 2HB LYS 80 2HB LYS 80 19.160 5.286 -2.371 644 1HG LYS 80 1HG LYS 80 20.754 3.360 -2.131 645 2HG LYS 80 2HG LYS 80 19.701 2.413 -3.206 646 1HD LYS 80 1HD LYS 80 20.044 4.071 -5.012 647 2HD LYS 80 2HD LYS 80 20.902 5.146 -3.899 648 1HE LYS 80 1HE LYS 80 22.532 4.035 -5.288 649 2HE LYS 80 2HE LYS 80 22.708 3.468 -3.621 650 1HZ LYS 80 1HZ LYS 80 21.478 1.504 -4.239 651 2HZ LYS 80 2HZ LYS 80 21.321 2.040 -5.790 652 3HZ LYS 80 3HZ LYS 80 22.809 1.683 -5.189 653 H THR 81 H THR 81 16.151 5.275 -1.351 654 HA THR 81 HA THR 81 17.085 7.483 0.268 655 HB THR 81 HB THR 81 14.262 6.873 -0.711 656 HG1 THR 81 HG1 THR 81 15.677 6.797 -2.467 657 1HG2 THR 81 1HG2 THR 81 14.427 8.778 0.868 658 2HG2 THR 81 2HG2 THR 81 15.716 9.491 -0.127 659 3HG2 THR 81 3HG2 THR 81 14.072 9.341 -0.777 660 H ARG 82 H ARG 82 15.206 4.525 0.685 661 HA ARG 82 HA ARG 82 14.119 3.575 2.344 662 1HB ARG 82 1HB ARG 82 16.442 4.120 3.519 663 2HB ARG 82 2HB ARG 82 15.502 5.330 4.406 664 1HG ARG 82 1HG ARG 82 13.839 3.206 4.660 665 2HG ARG 82 2HG ARG 82 15.357 2.330 4.395 666 1HD ARG 82 1HD ARG 82 14.742 4.430 6.540 667 2HD ARG 82 2HD ARG 82 14.899 2.708 6.850 668 HE ARG 82 HE ARG 82 17.007 4.701 6.476 669 1HH1 ARG 82 1HH1 ARG 82 16.317 1.251 6.281 670 2HH1 ARG 82 2HH1 ARG 82 17.949 0.750 6.635 671 1HH2 ARG 82 1HH2 ARG 82 19.146 4.083 6.910 672 2HH2 ARG 82 2HH2 ARG 82 19.597 2.402 6.977 673 H GLY 83 H GLY 83 12.877 5.473 0.981 674 1HA GLY 83 1HA GLY 83 11.054 6.817 2.915 675 2HA GLY 83 2HA GLY 83 11.705 7.696 1.511 676 H ARG 84 H ARG 84 8.872 6.910 2.065 677 HA ARG 84 HA ARG 84 8.400 5.057 -0.185 678 1HB ARG 84 1HB ARG 84 6.580 5.552 2.157 679 2HB ARG 84 2HB ARG 84 6.533 4.169 1.061 680 1HG ARG 84 1HG ARG 84 8.841 3.525 2.068 681 2HG ARG 84 2HG ARG 84 8.485 4.729 3.324 682 1HD ARG 84 1HD ARG 84 6.265 3.485 3.678 683 2HD ARG 84 2HD ARG 84 6.949 2.204 2.651 684 HE ARG 84 HE ARG 84 8.567 3.146 4.941 685 1HH1 ARG 84 1HH1 ARG 84 6.359 0.622 3.788 686 2HH1 ARG 84 2HH1 ARG 84 6.594 -0.395 5.181 687 1HH2 ARG 84 1HH2 ARG 84 8.850 1.837 6.751 688 2HH2 ARG 84 2HH2 ARG 84 8.026 0.309 6.889 689 H LYS 85 H LYS 85 6.190 5.343 -1.084 690 HA LYS 85 HA LYS 85 4.812 7.753 -0.493 691 1HB LYS 85 1HB LYS 85 4.872 8.915 -2.559 692 2HB LYS 85 2HB LYS 85 6.499 8.825 -1.891 693 1HG LYS 85 1HG LYS 85 5.515 6.970 -4.117 694 2HG LYS 85 2HG LYS 85 6.186 8.577 -4.394 695 1HD LYS 85 1HD LYS 85 8.267 7.822 -3.077 696 2HD LYS 85 2HD LYS 85 7.593 6.185 -3.152 697 1HE LYS 85 1HE LYS 85 9.182 6.447 -4.957 698 2HE LYS 85 2HE LYS 85 7.559 6.350 -5.661 699 1HZ LYS 85 1HZ LYS 85 7.575 8.719 -5.894 700 2HZ LYS 85 2HZ LYS 85 9.060 8.830 -5.190 701 3HZ LYS 85 3HZ LYS 85 8.887 8.071 -6.643 702 H LEU 86 H LEU 86 2.785 7.946 -1.283 703 HA LEU 86 HA LEU 86 1.311 5.617 -1.945 704 1HB LEU 86 1HB LEU 86 0.441 7.655 -0.827 705 2HB LEU 86 2HB LEU 86 0.746 8.586 -2.295 706 HG LEU 86 HG LEU 86 -0.953 7.170 -3.499 707 1HD1 LEU 86 1HD1 LEU 86 -0.932 5.145 -2.082 708 2HD1 LEU 86 2HD1 LEU 86 -1.471 6.094 -0.681 709 3HD1 LEU 86 3HD1 LEU 86 -2.544 5.863 -2.074 710 1HD2 LEU 86 1HD2 LEU 86 -1.880 8.612 -0.969 711 2HD2 LEU 86 2HD2 LEU 86 -1.471 9.385 -2.514 712 3HD2 LEU 86 3HD2 LEU 86 -2.866 8.308 -2.412 713 H LEU 87 H LEU 87 1.588 4.537 -3.832 714 HA LEU 87 HA LEU 87 2.617 5.798 -6.245 715 1HB LEU 87 1HB LEU 87 2.438 3.138 -5.215 716 2HB LEU 87 2HB LEU 87 1.435 3.140 -6.660 717 HG LEU 87 HG LEU 87 4.320 4.112 -6.526 718 1HD1 LEU 87 1HD1 LEU 87 4.098 1.671 -6.106 719 2HD1 LEU 87 2HD1 LEU 87 3.178 1.499 -7.611 720 3HD1 LEU 87 3HD1 LEU 87 4.881 2.003 -7.662 721 1HD2 LEU 87 1HD2 LEU 87 2.525 3.531 -8.932 722 2HD2 LEU 87 2HD2 LEU 87 3.020 5.150 -8.398 723 3HD2 LEU 87 3HD2 LEU 87 4.232 4.008 -8.993 724 H ARG 88 H ARG 88 -0.446 4.256 -5.147 725 HA ARG 88 HA ARG 88 -2.001 6.249 -6.581 726 1HB ARG 88 1HB ARG 88 -2.274 3.298 -7.347 727 2HB ARG 88 2HB ARG 88 -3.496 4.525 -7.639 728 1HG ARG 88 1HG ARG 88 -2.575 4.663 -9.666 729 2HG ARG 88 2HG ARG 88 -1.505 5.813 -8.873 730 1HD ARG 88 1HD ARG 88 -0.117 4.299 -10.154 731 2HD ARG 88 2HD ARG 88 0.093 3.846 -8.480 732 HE ARG 88 HE ARG 88 -1.170 1.917 -8.724 733 1HH1 ARG 88 1HH1 ARG 88 -1.282 3.771 -11.727 734 2HH1 ARG 88 2HH1 ARG 88 -1.659 2.405 -12.738 735 1HH2 ARG 88 1HH2 ARG 88 -1.577 0.088 -10.053 736 2HH2 ARG 88 2HH2 ARG 88 -1.872 0.282 -11.759 737 H PHE 89 H PHE 89 -4.196 6.199 -5.987 738 HA PHE 89 HA PHE 89 -5.021 4.575 -3.637 739 1HB PHE 89 1HB PHE 89 -4.550 6.986 -3.079 740 2HB PHE 89 2HB PHE 89 -5.710 7.481 -4.297 741 HD1 PHE 89 HD1 PHE 89 -5.242 6.843 -0.851 742 HD2 PHE 89 HD2 PHE 89 -8.206 6.517 -3.976 743 HE1 PHE 89 HE1 PHE 89 -6.998 7.592 0.713 744 HE2 PHE 89 HE2 PHE 89 -9.983 6.947 -2.309 745 HZ PHE 89 HZ PHE 89 -9.372 7.719 -0.016 746 H ASN 90 H ASN 90 -6.872 3.373 -4.335 747 HA ASN 90 HA ASN 90 -8.443 4.420 -6.623 748 1HB ASN 90 1HB ASN 90 -7.295 1.605 -6.335 749 2HB ASN 90 2HB ASN 90 -8.455 2.119 -7.542 750 1HD2 ASN 90 1HD2 ASN 90 -7.657 4.111 -8.947 751 2HD2 ASN 90 2HD2 ASN 90 -5.984 3.998 -9.455 752 H GLY 91 H GLY 91 -10.558 3.543 -6.660 753 1HA GLY 91 1HA GLY 91 -12.387 2.432 -5.625 754 2HA GLY 91 2HA GLY 91 -11.488 2.301 -4.116 755 HA PRO 92 HA PRO 92 -12.661 2.722 -2.286 756 1HB PRO 92 1HB PRO 92 -15.124 3.147 -1.186 757 2HB PRO 92 2HB PRO 92 -13.666 4.089 -0.750 758 1HG PRO 92 1HG PRO 92 -15.801 4.848 -2.767 759 2HG PRO 92 2HG PRO 92 -15.175 5.845 -1.419 760 1HD PRO 92 1HD PRO 92 -14.203 6.114 -3.943 761 2HD PRO 92 2HD PRO 92 -13.089 6.181 -2.551 762 H VAL 93 H VAL 93 -13.968 0.770 -2.082 763 HA VAL 93 HA VAL 93 -15.942 0.286 -4.214 764 HB VAL 93 HB VAL 93 -14.944 -1.933 -4.695 765 1HG1 VAL 93 1HG1 VAL 93 -14.545 0.063 -6.177 766 2HG1 VAL 93 2HG1 VAL 93 -12.996 0.303 -5.336 767 3HG1 VAL 93 3HG1 VAL 93 -13.279 -1.175 -6.261 768 1HG2 VAL 93 1HG2 VAL 93 -12.499 -0.899 -3.181 769 2HG2 VAL 93 2HG2 VAL 93 -13.501 -2.305 -2.750 770 3HG2 VAL 93 3HG2 VAL 93 -12.537 -2.328 -4.225 771 HA PRO 94 HA PRO 94 -17.697 -1.477 -0.494 772 1HB PRO 94 1HB PRO 94 -19.971 -2.639 -1.464 773 2HB PRO 94 2HB PRO 94 -19.756 -0.864 -1.439 774 1HG PRO 94 1HG PRO 94 -19.256 -2.758 -3.757 775 2HG PRO 94 2HG PRO 94 -20.223 -1.253 -3.770 776 1HD PRO 94 1HD PRO 94 -17.609 -1.331 -4.583 777 2HD PRO 94 2HD PRO 94 -18.275 0.093 -3.725 778 HA PRO 95 HA PRO 95 -16.430 -5.816 -0.758 779 1HB PRO 95 1HB PRO 95 -17.851 -6.978 1.282 780 2HB PRO 95 2HB PRO 95 -16.486 -5.860 1.579 781 1HG PRO 95 1HG PRO 95 -19.444 -5.197 1.540 782 2HG PRO 95 2HG PRO 95 -18.250 -4.777 2.803 783 1HD PRO 95 1HD PRO 95 -18.962 -3.025 0.838 784 2HD PRO 95 2HD PRO 95 -17.274 -3.102 1.426 785 HA PRO 96 HA PRO 96 -19.731 -7.504 -3.263 786 1HB PRO 96 1HB PRO 96 -19.235 -10.197 -3.245 787 2HB PRO 96 2HB PRO 96 -18.174 -9.021 -4.070 788 1HG PRO 96 1HG PRO 96 -17.818 -10.188 -1.293 789 2HG PRO 96 2HG PRO 96 -16.605 -10.106 -2.606 790 1HD PRO 96 1HD PRO 96 -16.685 -8.247 -0.625 791 2HD PRO 96 2HD PRO 96 -16.331 -7.757 -2.310 Start of MODEL 15 1 1H GLY 1 1H GLY 1 9.724 -14.653 -4.479 2 2H GLY 1 2H GLY 1 11.272 -14.098 -4.600 3 3H GLY 1 3H GLY 1 10.884 -15.213 -3.447 4 1HA GLY 1 1HA GLY 1 9.494 -13.662 -2.316 5 2HA GLY 1 2HA GLY 1 11.149 -13.047 -2.473 6 H GLU 2 H GLU 2 7.933 -13.011 -4.086 7 HA GLU 2 HA GLU 2 7.890 -10.184 -4.351 8 1HB GLU 2 1HB GLU 2 7.732 -10.141 -6.835 9 2HB GLU 2 2HB GLU 2 9.350 -10.567 -6.272 10 1HG GLU 2 1HG GLU 2 8.880 -12.962 -6.740 11 2HG GLU 2 2HG GLU 2 7.250 -12.535 -7.292 12 H TRP 3 H TRP 3 5.752 -9.550 -5.171 13 HA TRP 3 HA TRP 3 3.621 -9.631 -4.531 14 1HB TRP 3 1HB TRP 3 3.828 -11.649 -6.727 15 2HB TRP 3 2HB TRP 3 2.270 -11.373 -5.940 16 HD1 TRP 3 HD1 TRP 3 3.515 -10.494 -8.995 17 HE1 TRP 3 HE1 TRP 3 2.770 -8.214 -9.850 18 HE3 TRP 3 HE3 TRP 3 1.858 -8.453 -4.580 19 HZ2 TRP 3 HZ2 TRP 3 1.720 -5.741 -8.741 20 HZ3 TRP 3 HZ3 TRP 3 1.279 -6.070 -4.470 21 HH2 TRP 3 HH2 TRP 3 1.076 -4.728 -6.558 22 H GLU 4 H GLU 4 4.623 -10.318 -2.454 23 HA GLU 4 HA GLU 4 3.590 -12.974 -1.557 24 1HB GLU 4 1HB GLU 4 5.193 -12.659 0.323 25 2HB GLU 4 2HB GLU 4 5.910 -12.931 -1.270 26 1HG GLU 4 1HG GLU 4 6.365 -10.451 -1.438 27 2HG GLU 4 2HG GLU 4 5.711 -10.272 0.202 28 H ILE 5 H ILE 5 2.311 -13.048 0.261 29 HA ILE 5 HA ILE 5 0.693 -10.677 0.723 30 HB ILE 5 HB ILE 5 0.453 -13.333 2.126 31 1HG1 ILE 5 1HG1 ILE 5 -1.532 -13.423 0.223 32 2HG1 ILE 5 2HG1 ILE 5 -0.253 -12.649 -0.708 33 1HG2 ILE 5 1HG2 ILE 5 -0.854 -11.438 3.060 34 2HG2 ILE 5 2HG2 ILE 5 -1.672 -11.272 1.489 35 3HG2 ILE 5 3HG2 ILE 5 -1.859 -12.749 2.446 36 1HD1 ILE 5 1HD1 ILE 5 1.244 -14.610 -0.153 37 2HD1 ILE 5 2HD1 ILE 5 -0.078 -15.301 0.809 38 3HD1 ILE 5 3HD1 ILE 5 -0.255 -15.111 -0.945 39 H ILE 6 H ILE 6 0.690 -9.506 2.672 40 HA ILE 6 HA ILE 6 2.684 -10.272 4.765 41 HB ILE 6 HB ILE 6 2.811 -7.904 5.304 42 1HG1 ILE 6 1HG1 ILE 6 1.327 -7.360 2.698 43 2HG1 ILE 6 2HG1 ILE 6 0.664 -7.141 4.328 44 1HG2 ILE 6 1HG2 ILE 6 4.454 -9.096 3.798 45 2HG2 ILE 6 2HG2 ILE 6 3.605 -8.397 2.402 46 3HG2 ILE 6 3HG2 ILE 6 4.411 -7.347 3.591 47 1HD1 ILE 6 1HD1 ILE 6 2.472 -5.493 4.813 48 2HD1 ILE 6 2HD1 ILE 6 3.006 -5.624 3.122 49 3HD1 ILE 6 3HD1 ILE 6 1.392 -5.005 3.487 50 H ASP 7 H ASP 7 2.057 -9.771 6.942 51 HA ASP 7 HA ASP 7 -0.697 -10.411 7.519 52 1HB ASP 7 1HB ASP 7 1.505 -9.328 9.340 53 2HB ASP 7 2HB ASP 7 -0.007 -10.057 9.869 54 H ILE 8 H ILE 8 -1.937 -9.034 9.050 55 HA ILE 8 HA ILE 8 -1.669 -6.127 8.656 56 HB ILE 8 HB ILE 8 -4.020 -6.280 9.624 57 1HG1 ILE 8 1HG1 ILE 8 -5.398 -8.175 9.009 58 2HG1 ILE 8 2HG1 ILE 8 -3.998 -9.112 8.504 59 1HG2 ILE 8 1HG2 ILE 8 -3.426 -5.609 7.293 60 2HG2 ILE 8 2HG2 ILE 8 -3.455 -7.308 6.799 61 3HG2 ILE 8 3HG2 ILE 8 -4.948 -6.507 7.318 62 1HD1 ILE 8 1HD1 ILE 8 -3.218 -9.261 10.815 63 2HD1 ILE 8 2HD1 ILE 8 -4.430 -8.064 11.343 64 3HD1 ILE 8 3HD1 ILE 8 -4.932 -9.670 10.780 65 H GLY 9 H GLY 9 -2.147 -4.954 10.735 66 1HA GLY 9 1HA GLY 9 -1.915 -5.535 13.313 67 2HA GLY 9 2HA GLY 9 -0.333 -6.106 12.735 68 HA PRO 10 HA PRO 10 -0.393 -1.537 13.873 69 1HB PRO 10 1HB PRO 10 2.055 -1.485 15.193 70 2HB PRO 10 2HB PRO 10 0.468 -1.812 15.939 71 1HG PRO 10 1HG PRO 10 2.512 -3.826 14.985 72 2HG PRO 10 2HG PRO 10 1.608 -3.817 16.526 73 1HD PRO 10 1HD PRO 10 0.813 -5.363 14.480 74 2HD PRO 10 2HD PRO 10 -0.414 -4.481 15.432 75 H PHE 11 H PHE 11 2.457 -3.383 12.683 76 HA PHE 11 HA PHE 11 3.820 -1.360 11.343 77 1HB PHE 11 1HB PHE 11 4.759 -3.559 11.542 78 2HB PHE 11 2HB PHE 11 3.399 -4.303 10.710 79 HD1 PHE 11 HD1 PHE 11 3.414 -4.621 8.353 80 HD2 PHE 11 HD2 PHE 11 6.276 -1.948 10.176 81 HE1 PHE 11 HE1 PHE 11 4.647 -4.479 6.217 82 HE2 PHE 11 HE2 PHE 11 7.497 -1.803 8.023 83 HZ PHE 11 HZ PHE 11 6.706 -3.090 6.050 84 H THR 12 H THR 12 1.290 -3.555 9.928 85 HA THR 12 HA THR 12 1.335 -2.301 7.428 86 HB THR 12 HB THR 12 -1.018 -3.834 8.488 87 HG1 THR 12 HG1 THR 12 0.495 -5.721 8.044 88 1HG2 THR 12 1HG2 THR 12 -0.848 -3.215 6.064 89 2HG2 THR 12 2HG2 THR 12 0.672 -4.126 5.965 90 3HG2 THR 12 3HG2 THR 12 -0.850 -4.975 6.311 91 H GLN 13 H GLN 13 -0.742 -1.883 10.302 92 HA GLN 13 HA GLN 13 -2.565 0.039 9.244 93 1HB GLN 13 1HB GLN 13 -1.377 -0.500 12.000 94 2HB GLN 13 2HB GLN 13 -2.618 0.713 11.725 95 1HG GLN 13 1HG GLN 13 -4.239 -0.908 11.047 96 2HG GLN 13 2HG GLN 13 -3.023 -2.188 10.912 97 1HE2 GLN 13 1HE2 GLN 13 -5.039 -3.052 12.305 98 2HE2 GLN 13 2HE2 GLN 13 -4.735 -2.962 14.031 99 H ASN 14 H ASN 14 0.612 0.513 10.892 100 HA ASN 14 HA ASN 14 0.637 3.298 10.728 101 1HB ASN 14 1HB ASN 14 2.290 1.942 11.967 102 2HB ASN 14 2HB ASN 14 3.016 1.422 10.438 103 1HD2 ASN 14 1HD2 ASN 14 5.038 2.352 11.316 104 2HD2 ASN 14 2HD2 ASN 14 5.277 4.085 11.165 105 H LEU 15 H LEU 15 1.839 0.939 8.267 106 HA LEU 15 HA LEU 15 2.606 2.941 6.349 107 1HB LEU 15 1HB LEU 15 1.645 0.078 5.944 108 2HB LEU 15 2HB LEU 15 2.275 1.108 4.656 109 HG LEU 15 HG LEU 15 3.843 0.191 7.109 110 1HD1 LEU 15 1HD1 LEU 15 3.413 -1.597 5.472 111 2HD1 LEU 15 2HD1 LEU 15 3.989 -0.554 4.151 112 3HD1 LEU 15 3HD1 LEU 15 5.115 -1.101 5.406 113 1HD2 LEU 15 1HD2 LEU 15 4.637 1.916 4.723 114 2HD2 LEU 15 2HD2 LEU 15 4.716 2.374 6.441 115 3HD2 LEU 15 3HD2 LEU 15 5.803 1.139 5.814 116 H GLY 16 H GLY 16 -0.484 1.185 6.750 117 1HA GLY 16 1HA GLY 16 -1.900 2.450 4.622 118 2HA GLY 16 2HA GLY 16 -2.612 1.747 6.082 119 H LYS 17 H LYS 17 -1.122 3.562 7.912 120 HA LYS 17 HA LYS 17 -3.169 5.554 8.012 121 1HB LYS 17 1HB LYS 17 -1.660 4.272 9.914 122 2HB LYS 17 2HB LYS 17 -0.731 5.752 9.785 123 1HG LYS 17 1HG LYS 17 -3.698 5.443 10.449 124 2HG LYS 17 2HG LYS 17 -2.391 5.935 11.545 125 1HD LYS 17 1HD LYS 17 -1.953 7.888 9.974 126 2HD LYS 17 2HD LYS 17 -3.452 7.456 9.123 127 1HE LYS 17 1HE LYS 17 -4.741 7.707 11.242 128 2HE LYS 17 2HE LYS 17 -3.259 8.213 12.077 129 1HZ LYS 17 1HZ LYS 17 -3.126 10.068 10.583 130 2HZ LYS 17 2HZ LYS 17 -4.499 9.598 9.801 131 3HZ LYS 17 3HZ LYS 17 -4.569 10.071 11.378 132 H PHE 18 H PHE 18 0.337 5.446 7.577 133 HA PHE 18 HA PHE 18 0.855 8.124 6.824 134 1HB PHE 18 1HB PHE 18 2.807 6.919 7.099 135 2HB PHE 18 2HB PHE 18 2.142 5.456 6.401 136 HD1 PHE 18 HD1 PHE 18 2.725 4.762 4.253 137 HD2 PHE 18 HD2 PHE 18 3.202 8.918 5.330 138 HE1 PHE 18 HE1 PHE 18 3.682 5.238 2.029 139 HE2 PHE 18 HE2 PHE 18 4.152 9.380 3.085 140 HZ PHE 18 HZ PHE 18 4.388 7.528 1.433 141 H ALA 19 H ALA 19 -0.235 5.375 4.810 142 HA ALA 19 HA ALA 19 -0.211 6.754 2.350 143 1HB ALA 19 1HB ALA 19 -0.521 4.302 2.607 144 2HB ALA 19 2HB ALA 19 -2.172 4.574 3.188 145 3HB ALA 19 3HB ALA 19 -1.736 5.034 1.542 146 H VAL 20 H VAL 20 -2.895 6.334 4.647 147 HA VAL 20 HA VAL 20 -4.711 8.083 3.249 148 HB VAL 20 HB VAL 20 -4.644 7.168 6.139 149 1HG1 VAL 20 1HG1 VAL 20 -5.907 9.247 6.147 150 2HG1 VAL 20 2HG1 VAL 20 -6.732 8.814 4.633 151 3HG1 VAL 20 3HG1 VAL 20 -7.091 7.939 6.127 152 1HG2 VAL 20 1HG2 VAL 20 -6.545 5.734 5.342 153 2HG2 VAL 20 2HG2 VAL 20 -6.374 6.426 3.725 154 3HG2 VAL 20 3HG2 VAL 20 -5.083 5.411 4.398 155 H ASP 21 H ASP 21 -2.276 8.719 5.794 156 HA ASP 21 HA ASP 21 -3.056 11.372 6.361 157 1HB ASP 21 1HB ASP 21 -1.565 10.141 7.824 158 2HB ASP 21 2HB ASP 21 -0.341 10.014 6.557 159 H GLU 22 H GLU 22 -0.693 10.050 4.048 160 HA GLU 22 HA GLU 22 0.147 12.497 2.870 161 1HB GLU 22 1HB GLU 22 1.283 10.277 2.625 162 2HB GLU 22 2HB GLU 22 -0.068 9.699 1.648 163 1HG GLU 22 1HG GLU 22 1.761 10.342 0.198 164 2HG GLU 22 2HG GLU 22 0.431 11.474 -0.054 165 H GLU 23 H GLU 23 -2.405 10.153 1.962 166 HA GLU 23 HA GLU 23 -3.400 11.419 -0.326 167 1HB GLU 23 1HB GLU 23 -3.996 9.129 0.652 168 2HB GLU 23 2HB GLU 23 -5.060 9.990 1.781 169 1HG GLU 23 1HG GLU 23 -6.246 10.982 -0.214 170 2HG GLU 23 2HG GLU 23 -5.232 9.949 -1.254 171 H ASN 24 H ASN 24 -4.293 11.910 3.112 172 HA ASN 24 HA ASN 24 -6.301 13.899 2.696 173 1HB ASN 24 1HB ASN 24 -4.601 12.970 5.053 174 2HB ASN 24 2HB ASN 24 -5.762 14.276 5.168 175 1HD2 ASN 24 1HD2 ASN 24 -6.189 12.316 6.886 176 2HD2 ASN 24 2HD2 ASN 24 -7.568 11.346 6.387 177 H LYS 25 H LYS 25 -2.786 14.001 3.387 178 HA LYS 25 HA LYS 25 -2.557 16.770 3.837 179 1HB LYS 25 1HB LYS 25 -0.805 14.931 4.195 180 2HB LYS 25 2HB LYS 25 -0.513 14.980 2.457 181 1HG LYS 25 1HG LYS 25 1.172 16.246 3.408 182 2HG LYS 25 2HG LYS 25 0.068 17.458 2.743 183 1HD LYS 25 1HD LYS 25 -0.885 17.861 4.984 184 2HD LYS 25 2HD LYS 25 0.069 16.539 5.673 185 1HE LYS 25 1HE LYS 25 1.233 19.075 4.425 186 2HE LYS 25 2HE LYS 25 1.011 18.792 6.161 187 1HZ LYS 25 1HZ LYS 25 2.483 16.912 5.982 188 2HZ LYS 25 2HZ LYS 25 2.734 17.217 4.382 189 3HZ LYS 25 3HZ LYS 25 3.226 18.307 5.513 190 H ILE 26 H ILE 26 -2.333 14.840 0.838 191 HA ILE 26 HA ILE 26 -2.189 17.075 -0.989 192 HB ILE 26 HB ILE 26 -3.142 14.203 -1.332 193 1HG1 ILE 26 1HG1 ILE 26 -0.525 15.482 -2.236 194 2HG1 ILE 26 2HG1 ILE 26 -0.689 14.656 -0.687 195 1HG2 ILE 26 1HG2 ILE 26 -4.136 15.603 -3.104 196 2HG2 ILE 26 2HG2 ILE 26 -2.549 16.321 -3.448 197 3HG2 ILE 26 3HG2 ILE 26 -2.860 14.606 -3.782 198 1HD1 ILE 26 1HD1 ILE 26 -1.401 12.577 -1.847 199 2HD1 ILE 26 2HD1 ILE 26 -1.059 13.361 -3.409 200 3HD1 ILE 26 3HD1 ILE 26 0.245 13.106 -2.242 201 H GLY 27 H GLY 27 -4.866 15.140 0.379 202 1HA GLY 27 1HA GLY 27 -7.043 15.820 0.828 203 2HA GLY 27 2HA GLY 27 -6.848 17.251 -0.209 204 H GLN 28 H GLN 28 -5.766 14.040 -1.199 205 HA GLN 28 HA GLN 28 -6.841 14.378 -3.772 206 1HB GLN 28 1HB GLN 28 -4.904 12.921 -3.118 207 2HB GLN 28 2HB GLN 28 -6.057 11.755 -2.451 208 1HG GLN 28 1HG GLN 28 -7.062 11.445 -4.693 209 2HG GLN 28 2HG GLN 28 -5.975 12.676 -5.351 210 1HE2 GLN 28 1HE2 GLN 28 -4.083 11.902 -6.267 211 2HE2 GLN 28 2HE2 GLN 28 -3.398 10.326 -5.911 212 H TYR 29 H TYR 29 -8.196 12.781 -0.958 213 HA TYR 29 HA TYR 29 -10.866 12.770 -2.296 214 1HB TYR 29 1HB TYR 29 -9.614 10.498 -0.743 215 2HB TYR 29 2HB TYR 29 -11.351 10.730 -0.843 216 HD1 TYR 29 HD1 TYR 29 -12.639 9.920 -2.623 217 HD2 TYR 29 HD2 TYR 29 -8.350 10.112 -3.017 218 HE1 TYR 29 HE1 TYR 29 -12.743 8.341 -4.523 219 HE2 TYR 29 HE2 TYR 29 -8.460 8.509 -4.904 220 HH TYR 29 HH TYR 29 -11.448 6.782 -5.722 221 H GLY 30 H GLY 30 -9.759 14.828 -0.889 222 1HA GLY 30 1HA GLY 30 -10.278 16.272 0.831 223 2HA GLY 30 2HA GLY 30 -11.719 15.294 1.135 224 H ARG 31 H ARG 31 -11.645 15.112 3.351 225 HA ARG 31 HA ARG 31 -9.158 14.263 4.757 226 1HB ARG 31 1HB ARG 31 -11.801 15.453 5.716 227 2HB ARG 31 2HB ARG 31 -10.533 14.830 6.761 228 1HG ARG 31 1HG ARG 31 -10.319 17.134 6.783 229 2HG ARG 31 2HG ARG 31 -8.938 16.534 5.867 230 1HD ARG 31 1HD ARG 31 -11.444 17.422 4.392 231 2HD ARG 31 2HD ARG 31 -10.383 18.642 5.114 232 HE ARG 31 HE ARG 31 -8.726 16.897 3.665 233 1HH1 ARG 31 1HH1 ARG 31 -11.304 19.233 3.027 234 2HH1 ARG 31 2HH1 ARG 31 -10.595 19.819 1.550 235 1HH2 ARG 31 1HH2 ARG 31 -7.734 17.738 1.804 236 2HH2 ARG 31 2HH2 ARG 31 -8.533 18.922 0.810 237 H LEU 32 H LEU 32 -9.277 11.968 4.096 238 HA LEU 32 HA LEU 32 -11.707 10.470 4.869 239 1HB LEU 32 1HB LEU 32 -8.984 9.555 3.936 240 2HB LEU 32 2HB LEU 32 -10.352 8.490 4.253 241 HG LEU 32 HG LEU 32 -10.357 10.675 2.130 242 1HD1 LEU 32 1HD1 LEU 32 -8.760 8.936 1.644 243 2HD1 LEU 32 2HD1 LEU 32 -9.941 7.665 2.012 244 3HD1 LEU 32 3HD1 LEU 32 -10.166 8.698 0.584 245 1HD2 LEU 32 1HD2 LEU 32 -12.328 8.415 2.754 246 2HD2 LEU 32 2HD2 LEU 32 -12.656 10.161 2.877 247 3HD2 LEU 32 3HD2 LEU 32 -12.369 9.429 1.298 248 H THR 33 H THR 33 -11.939 9.248 6.653 249 HA THR 33 HA THR 33 -9.960 9.596 8.866 250 HB THR 33 HB THR 33 -12.857 8.666 8.938 251 HG1 THR 33 HG1 THR 33 -12.361 10.934 8.352 252 1HG2 THR 33 1HG2 THR 33 -11.517 7.827 10.860 253 2HG2 THR 33 2HG2 THR 33 -10.919 9.473 11.158 254 3HG2 THR 33 3HG2 THR 33 -12.640 9.102 11.365 255 H PHE 34 H PHE 34 -8.435 8.027 8.289 256 HA PHE 34 HA PHE 34 -8.773 5.410 7.399 257 1HB PHE 34 1HB PHE 34 -6.618 6.259 7.660 258 2HB PHE 34 2HB PHE 34 -6.825 6.622 9.378 259 HD1 PHE 34 HD1 PHE 34 -5.731 4.153 6.924 260 HD2 PHE 34 HD2 PHE 34 -6.894 4.718 11.050 261 HE1 PHE 34 HE1 PHE 34 -4.503 2.106 7.564 262 HE2 PHE 34 HE2 PHE 34 -5.677 2.664 11.667 263 HZ PHE 34 HZ PHE 34 -4.414 1.397 9.941 264 H ASN 35 H ASN 35 -9.584 3.596 8.194 265 HA ASN 35 HA ASN 35 -10.596 3.541 11.016 266 1HB ASN 35 1HB ASN 35 -12.108 3.101 8.893 267 2HB ASN 35 2HB ASN 35 -11.376 1.514 8.903 268 1HD2 ASN 35 1HD2 ASN 35 -13.098 3.819 11.064 269 2HD2 ASN 35 2HD2 ASN 35 -13.877 2.558 11.998 270 H LYS 36 H LYS 36 -9.389 1.266 8.547 271 HA LYS 36 HA LYS 36 -7.042 0.502 9.942 272 1HB LYS 36 1HB LYS 36 -7.736 -1.870 10.528 273 2HB LYS 36 2HB LYS 36 -8.291 -0.605 11.619 274 1HG LYS 36 1HG LYS 36 -10.516 -0.641 10.636 275 2HG LYS 36 2HG LYS 36 -10.014 -1.808 9.399 276 1HD LYS 36 1HD LYS 36 -9.553 -3.494 11.110 277 2HD LYS 36 2HD LYS 36 -9.882 -2.339 12.410 278 1HE LYS 36 1HE LYS 36 -11.946 -3.220 10.333 279 2HE LYS 36 2HE LYS 36 -11.776 -3.923 11.949 280 1HZ LYS 36 1HZ LYS 36 -12.219 -1.772 12.882 281 2HZ LYS 36 2HZ LYS 36 -12.428 -1.108 11.389 282 3HZ LYS 36 3HZ LYS 36 -13.461 -2.270 11.925 283 H VAL 37 H VAL 37 -5.883 -1.154 8.889 284 HA VAL 37 HA VAL 37 -6.574 -1.643 6.070 285 HB VAL 37 HB VAL 37 -4.319 -0.980 6.534 286 1HG1 VAL 37 1HG1 VAL 37 -4.015 -1.803 8.832 287 2HG1 VAL 37 2HG1 VAL 37 -4.075 -3.484 8.270 288 3HG1 VAL 37 3HG1 VAL 37 -2.755 -2.421 7.765 289 1HG2 VAL 37 1HG2 VAL 37 -4.449 -3.908 5.748 290 2HG2 VAL 37 2HG2 VAL 37 -4.691 -2.517 4.668 291 3HG2 VAL 37 3HG2 VAL 37 -3.114 -2.794 5.415 292 H ILE 38 H ILE 38 -7.002 -3.748 5.282 293 HA ILE 38 HA ILE 38 -7.236 -5.940 7.230 294 HB ILE 38 HB ILE 38 -9.501 -6.540 6.507 295 1HG1 ILE 38 1HG1 ILE 38 -10.962 -4.596 5.687 296 2HG1 ILE 38 2HG1 ILE 38 -9.490 -3.843 5.072 297 1HG2 ILE 38 1HG2 ILE 38 -9.035 -5.312 8.619 298 2HG2 ILE 38 2HG2 ILE 38 -9.407 -3.786 7.780 299 3HG2 ILE 38 3HG2 ILE 38 -10.655 -5.029 7.969 300 1HD1 ILE 38 1HD1 ILE 38 -9.166 -5.747 3.547 301 2HD1 ILE 38 2HD1 ILE 38 -10.473 -6.651 4.349 302 3HD1 ILE 38 3HD1 ILE 38 -10.836 -5.198 3.413 303 H ARG 39 H ARG 39 -7.458 -7.986 6.261 304 HA ARG 39 HA ARG 39 -5.599 -8.386 4.168 305 1HB ARG 39 1HB ARG 39 -6.436 -10.799 4.326 306 2HB ARG 39 2HB ARG 39 -5.833 -10.078 5.823 307 1HG ARG 39 1HG ARG 39 -8.072 -9.754 6.676 308 2HG ARG 39 2HG ARG 39 -8.799 -10.162 5.116 309 1HD ARG 39 1HD ARG 39 -8.158 -12.495 5.374 310 2HD ARG 39 2HD ARG 39 -7.074 -12.091 6.709 311 HE ARG 39 HE ARG 39 -8.773 -12.179 8.179 312 1HH1 ARG 39 1HH1 ARG 39 -10.211 -11.772 4.981 313 2HH1 ARG 39 2HH1 ARG 39 -11.857 -11.841 5.552 314 1HH2 ARG 39 1HH2 ARG 39 -10.905 -12.246 8.949 315 2HH2 ARG 39 2HH2 ARG 39 -12.253 -12.118 7.854 316 HA PRO 40 HA PRO 40 -5.177 -10.062 2.498 317 1HB PRO 40 1HB PRO 40 -4.645 -10.039 -0.165 318 2HB PRO 40 2HB PRO 40 -5.797 -11.195 0.562 319 1HG PRO 40 1HG PRO 40 -6.444 -8.549 -0.774 320 2HG PRO 40 2HG PRO 40 -7.166 -10.147 -1.125 321 1HD PRO 40 1HD PRO 40 -8.408 -8.413 0.571 322 2HD PRO 40 2HD PRO 40 -8.367 -10.152 0.933 323 H CYS 41 H CYS 41 -3.014 -9.212 2.181 324 HA CYS 41 HA CYS 41 -2.750 -6.431 1.202 325 1HB CYS 41 1HB CYS 41 -1.741 -7.523 3.884 326 2HB CYS 41 2HB CYS 41 -1.183 -6.035 3.087 327 HG CYS 41 HG CYS 41 -2.601 -5.099 4.717 328 H MET 42 H MET 42 -0.952 -6.308 -0.072 329 HA MET 42 HA MET 42 0.928 -8.629 -0.117 330 1HB MET 42 1HB MET 42 -1.028 -7.725 -2.224 331 2HB MET 42 2HB MET 42 0.579 -8.218 -2.764 332 1HG MET 42 1HG MET 42 0.398 -10.381 -1.873 333 2HG MET 42 2HG MET 42 -1.014 -9.951 -0.890 334 1HE MET 42 1HE MET 42 -0.507 -9.182 -4.769 335 2HE MET 42 2HE MET 42 0.308 -10.743 -4.463 336 3HE MET 42 3HE MET 42 -1.182 -10.683 -5.434 337 H LYS 43 H LYS 43 2.912 -8.287 -1.217 338 HA LYS 43 HA LYS 43 3.457 -5.562 -2.117 339 1HB LYS 43 1HB LYS 43 5.269 -5.163 -0.687 340 2HB LYS 43 2HB LYS 43 4.017 -5.827 0.383 341 1HG LYS 43 1HG LYS 43 5.136 -8.039 0.263 342 2HG LYS 43 2HG LYS 43 6.402 -7.353 -0.778 343 1HD LYS 43 1HD LYS 43 7.051 -5.744 0.967 344 2HD LYS 43 2HD LYS 43 5.763 -6.336 2.020 345 1HE LYS 43 1HE LYS 43 7.874 -7.325 2.721 346 2HE LYS 43 2HE LYS 43 6.832 -8.594 2.063 347 1HZ LYS 43 1HZ LYS 43 9.030 -7.251 0.636 348 2HZ LYS 43 2HZ LYS 43 9.059 -8.775 1.268 349 3HZ LYS 43 3HZ LYS 43 8.062 -8.428 0.008 350 H LYS 44 H LYS 44 5.348 -5.364 -3.408 351 HA LYS 44 HA LYS 44 6.528 -7.873 -4.408 352 1HB LYS 44 1HB LYS 44 4.510 -7.588 -5.642 353 2HB LYS 44 2HB LYS 44 4.909 -5.933 -6.093 354 1HG LYS 44 1HG LYS 44 6.867 -8.095 -6.849 355 2HG LYS 44 2HG LYS 44 5.315 -8.154 -7.669 356 1HD LYS 44 1HD LYS 44 7.051 -5.667 -7.578 357 2HD LYS 44 2HD LYS 44 7.145 -6.884 -8.855 358 1HE LYS 44 1HE LYS 44 4.740 -6.517 -9.396 359 2HE LYS 44 2HE LYS 44 4.651 -5.240 -8.170 360 1HZ LYS 44 1HZ LYS 44 6.317 -4.049 -9.379 361 2HZ LYS 44 2HZ LYS 44 6.386 -5.227 -10.529 362 3HZ LYS 44 3HZ LYS 44 5.003 -4.354 -10.324 363 H THR 45 H THR 45 8.514 -7.710 -5.168 364 HA THR 45 HA THR 45 10.151 -5.590 -4.453 365 HB THR 45 HB THR 45 10.730 -7.946 -6.301 366 HG1 THR 45 HG1 THR 45 10.688 -9.232 -4.414 367 1HG2 THR 45 1HG2 THR 45 12.639 -6.465 -5.808 368 2HG2 THR 45 2HG2 THR 45 12.335 -6.633 -4.061 369 3HG2 THR 45 3HG2 THR 45 12.846 -8.042 -5.016 370 H ILE 46 H ILE 46 10.794 -3.768 -5.579 371 HA ILE 46 HA ILE 46 10.290 -3.602 -8.512 372 HB ILE 46 HB ILE 46 10.096 -1.668 -6.353 373 1HG1 ILE 46 1HG1 ILE 46 8.348 -0.742 -7.731 374 2HG1 ILE 46 2HG1 ILE 46 8.813 -1.766 -9.099 375 1HG2 ILE 46 1HG2 ILE 46 11.924 -0.560 -7.475 376 2HG2 ILE 46 2HG2 ILE 46 11.214 -0.894 -9.074 377 3HG2 ILE 46 3HG2 ILE 46 10.439 0.245 -7.950 378 1HD1 ILE 46 1HD1 ILE 46 8.085 -3.750 -7.911 379 2HD1 ILE 46 2HD1 ILE 46 7.800 -2.815 -6.425 380 3HD1 ILE 46 3HD1 ILE 46 6.790 -2.552 -7.863 381 H TYR 47 H TYR 47 11.926 -4.540 -9.432 382 HA TYR 47 HA TYR 47 14.714 -4.156 -8.630 383 1HB TYR 47 1HB TYR 47 13.477 -5.499 -11.054 384 2HB TYR 47 2HB TYR 47 15.175 -5.557 -10.600 385 HD1 TYR 47 HD1 TYR 47 11.817 -6.886 -9.901 386 HD2 TYR 47 HD2 TYR 47 15.937 -6.837 -8.624 387 HE1 TYR 47 HE1 TYR 47 11.430 -8.927 -8.562 388 HE2 TYR 47 HE2 TYR 47 15.549 -8.873 -7.283 389 HH TYR 47 HH TYR 47 13.985 -10.437 -6.573 390 H GLU 48 H GLU 48 16.317 -3.382 -10.284 391 HA GLU 48 HA GLU 48 15.255 -1.936 -12.557 392 1HB GLU 48 1HB GLU 48 15.654 -0.370 -10.417 393 2HB GLU 48 2HB GLU 48 17.329 -0.454 -10.944 394 1HG GLU 48 1HG GLU 48 16.362 0.294 -13.284 395 2HG GLU 48 2HG GLU 48 14.883 0.650 -12.382 396 H ASN 49 H ASN 49 16.965 -1.433 -13.934 397 HA ASN 49 HA ASN 49 18.867 -3.502 -14.479 398 1HB ASN 49 1HB ASN 49 18.047 -2.151 -16.305 399 2HB ASN 49 2HB ASN 49 18.568 -0.655 -15.517 400 1HD2 ASN 49 1HD2 ASN 49 20.188 -3.826 -16.334 401 2HD2 ASN 49 2HD2 ASN 49 21.570 -3.035 -17.071 402 H GLU 50 H GLU 50 19.287 -0.162 -13.283 403 HA GLU 50 HA GLU 50 20.958 0.900 -12.212 404 1HB GLU 50 1HB GLU 50 19.567 -0.842 -10.671 405 2HB GLU 50 2HB GLU 50 21.155 -1.511 -10.427 406 1HG GLU 50 1HG GLU 50 20.718 0.076 -8.658 407 2HG GLU 50 2HG GLU 50 21.864 0.912 -9.711 408 H GLY 51 H GLY 51 23.058 -0.453 -10.557 409 1HA GLY 51 1HA GLY 51 25.149 -0.861 -12.614 410 2HA GLY 51 2HA GLY 51 25.335 -0.860 -10.854 411 H PHE 52 H PHE 52 23.480 -2.619 -13.292 412 HA PHE 52 HA PHE 52 23.052 -4.788 -13.705 413 1HB PHE 52 1HB PHE 52 25.437 -5.275 -13.087 414 2HB PHE 52 2HB PHE 52 24.904 -5.636 -11.446 415 HD1 PHE 52 HD1 PHE 52 24.523 -6.688 -15.019 416 HD2 PHE 52 HD2 PHE 52 23.948 -7.758 -10.875 417 HE1 PHE 52 HE1 PHE 52 23.946 -9.006 -15.689 418 HE2 PHE 52 HE2 PHE 52 23.385 -10.071 -11.554 419 HZ PHE 52 HZ PHE 52 23.371 -10.698 -13.961 420 H ARG 53 H ARG 53 21.860 -6.605 -12.638 421 HA ARG 53 HA ARG 53 19.476 -5.885 -11.698 422 1HB ARG 53 1HB ARG 53 21.080 -8.337 -10.856 423 2HB ARG 53 2HB ARG 53 19.367 -8.111 -10.486 424 1HG ARG 53 1HG ARG 53 18.834 -7.974 -12.892 425 2HG ARG 53 2HG ARG 53 20.541 -8.283 -13.295 426 1HD ARG 53 1HD ARG 53 20.470 -10.455 -12.203 427 2HD ARG 53 2HD ARG 53 18.857 -10.112 -11.530 428 HE ARG 53 HE ARG 53 18.779 -9.948 -14.381 429 1HH1 ARG 53 1HH1 ARG 53 19.019 -12.301 -11.760 430 2HH1 ARG 53 2HH1 ARG 53 18.125 -13.546 -12.588 431 1HH2 ARG 53 1HH2 ARG 53 17.598 -11.566 -15.488 432 2HH2 ARG 53 2HH2 ARG 53 17.317 -13.120 -14.753 433 H GLU 54 H GLU 54 18.880 -4.493 -10.057 434 HA GLU 54 HA GLU 54 19.693 -5.244 -7.366 435 1HB GLU 54 1HB GLU 54 21.295 -3.495 -8.169 436 2HB GLU 54 2HB GLU 54 19.930 -2.388 -8.402 437 1HG GLU 54 1HG GLU 54 19.440 -2.436 -5.987 438 2HG GLU 54 2HG GLU 54 20.675 -3.685 -5.736 439 H ILE 55 H ILE 55 18.215 -4.707 -5.797 440 HA ILE 55 HA ILE 55 15.445 -4.164 -6.642 441 HB ILE 55 HB ILE 55 16.676 -4.784 -3.934 442 1HG1 ILE 55 1HG1 ILE 55 15.003 -6.525 -5.797 443 2HG1 ILE 55 2HG1 ILE 55 16.757 -6.646 -5.647 444 1HG2 ILE 55 1HG2 ILE 55 14.607 -3.439 -3.717 445 2HG2 ILE 55 2HG2 ILE 55 13.766 -4.528 -4.835 446 3HG2 ILE 55 3HG2 ILE 55 14.294 -5.099 -3.241 447 1HD1 ILE 55 1HD1 ILE 55 16.528 -7.176 -3.231 448 2HD1 ILE 55 2HD1 ILE 55 14.763 -7.241 -3.435 449 3HD1 ILE 55 3HD1 ILE 55 15.793 -8.373 -4.316 450 H LYS 56 H LYS 56 15.196 -1.981 -7.150 451 HA LYS 56 HA LYS 56 16.685 0.000 -5.516 452 1HB LYS 56 1HB LYS 56 16.238 1.619 -7.053 453 2HB LYS 56 2HB LYS 56 16.600 0.177 -7.985 454 1HG LYS 56 1HG LYS 56 14.890 1.276 -9.100 455 2HG LYS 56 2HG LYS 56 14.082 -0.108 -8.351 456 1HD LYS 56 1HD LYS 56 12.984 1.373 -6.759 457 2HD LYS 56 2HD LYS 56 14.147 2.673 -7.060 458 1HE LYS 56 1HE LYS 56 13.253 3.064 -9.271 459 2HE LYS 56 2HE LYS 56 12.212 1.634 -9.171 460 1HZ LYS 56 1HZ LYS 56 11.009 2.670 -7.421 461 2HZ LYS 56 2HZ LYS 56 12.014 3.972 -7.398 462 3HZ LYS 56 3HZ LYS 56 11.054 3.692 -8.714 463 H GLY 57 H GLY 57 13.523 -1.535 -5.617 464 1HA GLY 57 1HA GLY 57 12.774 -0.116 -3.200 465 2HA GLY 57 2HA GLY 57 11.910 0.447 -4.660 466 H TYR 58 H TYR 58 10.090 -0.331 -3.255 467 HA TYR 58 HA TYR 58 9.288 -3.018 -4.153 468 1HB TYR 58 1HB TYR 58 8.795 -2.062 -1.319 469 2HB TYR 58 2HB TYR 58 8.399 -3.617 -2.013 470 HD1 TYR 58 HD1 TYR 58 10.052 -5.421 -2.104 471 HD2 TYR 58 HD2 TYR 58 11.169 -1.476 -0.791 472 HE1 TYR 58 HE1 TYR 58 12.293 -6.266 -1.453 473 HE2 TYR 58 HE2 TYR 58 13.408 -2.308 -0.160 474 HH TYR 58 HH TYR 58 14.839 -4.119 -0.156 475 H GLU 59 H GLU 59 6.941 -3.217 -3.909 476 HA GLU 59 HA GLU 59 5.374 -0.695 -3.817 477 1HB GLU 59 1HB GLU 59 5.575 -1.468 -6.139 478 2HB GLU 59 2HB GLU 59 4.946 -3.063 -5.677 479 1HG GLU 59 1HG GLU 59 2.785 -1.998 -5.033 480 2HG GLU 59 2HG GLU 59 3.462 -0.401 -5.398 481 H TYR 60 H TYR 60 3.339 -0.995 -2.730 482 HA TYR 60 HA TYR 60 2.847 -3.572 -1.343 483 1HB TYR 60 1HB TYR 60 2.669 -0.779 -0.161 484 2HB TYR 60 2HB TYR 60 2.090 -2.250 0.602 485 HD1 TYR 60 HD1 TYR 60 5.114 -0.334 -0.401 486 HD2 TYR 60 HD2 TYR 60 3.598 -3.729 1.773 487 HE1 TYR 60 HE1 TYR 60 7.237 -0.473 0.892 488 HE2 TYR 60 HE2 TYR 60 5.692 -3.843 3.077 489 HH TYR 60 HH TYR 60 7.811 -2.957 3.371 490 H GLN 61 H GLN 61 0.651 -4.053 -1.463 491 HA GLN 61 HA GLN 61 -1.242 -2.015 -2.506 492 1HB GLN 61 1HB GLN 61 -0.212 -3.520 -4.338 493 2HB GLN 61 2HB GLN 61 -1.075 -4.860 -3.566 494 1HG GLN 61 1HG GLN 61 -3.209 -3.537 -3.886 495 2HG GLN 61 2HG GLN 61 -2.270 -2.291 -4.713 496 1HE2 GLN 61 1HE2 GLN 61 -3.895 -2.800 -6.480 497 2HE2 GLN 61 2HE2 GLN 61 -3.509 -4.138 -7.549 498 H LEU 62 H LEU 62 -2.877 -1.943 -0.957 499 HA LEU 62 HA LEU 62 -3.671 -4.440 0.417 500 1HB LEU 62 1HB LEU 62 -3.228 -3.324 2.647 501 2HB LEU 62 2HB LEU 62 -1.847 -3.931 1.735 502 HG LEU 62 HG LEU 62 -1.638 -1.382 0.940 503 1HD1 LEU 62 1HD1 LEU 62 -3.735 -0.643 2.152 504 2HD1 LEU 62 2HD1 LEU 62 -2.961 -1.106 3.677 505 3HD1 LEU 62 3HD1 LEU 62 -2.266 0.186 2.692 506 1HD2 LEU 62 1HD2 LEU 62 -0.832 -2.412 3.685 507 2HD2 LEU 62 2HD2 LEU 62 0.060 -2.654 2.168 508 3HD2 LEU 62 3HD2 LEU 62 -0.112 -1.024 2.841 509 H TYR 63 H TYR 63 -5.653 -4.373 1.524 510 HA TYR 63 HA TYR 63 -7.440 -2.276 0.519 511 1HB TYR 63 1HB TYR 63 -7.742 -5.041 1.707 512 2HB TYR 63 2HB TYR 63 -9.081 -3.915 1.680 513 HD1 TYR 63 HD1 TYR 63 -7.482 -6.454 -0.175 514 HD2 TYR 63 HD2 TYR 63 -9.550 -2.715 -0.660 515 HE1 TYR 63 HE1 TYR 63 -8.234 -7.161 -2.432 516 HE2 TYR 63 HE2 TYR 63 -10.190 -3.358 -2.959 517 HH TYR 63 HH TYR 63 -10.037 -4.980 -4.602 518 H VAL 64 H VAL 64 -8.225 -0.729 1.772 519 HA VAL 64 HA VAL 64 -7.973 -0.915 4.714 520 HB VAL 64 HB VAL 64 -6.051 0.240 3.715 521 1HG1 VAL 64 1HG1 VAL 64 -6.216 2.370 2.637 522 2HG1 VAL 64 2HG1 VAL 64 -7.123 1.188 1.691 523 3HG1 VAL 64 3HG1 VAL 64 -7.990 2.356 2.717 524 1HG2 VAL 64 1HG2 VAL 64 -7.874 2.129 5.277 525 2HG2 VAL 64 2HG2 VAL 64 -6.786 0.907 5.972 526 3HG2 VAL 64 3HG2 VAL 64 -6.118 2.287 5.091 527 H TYR 65 H TYR 65 -9.593 -0.166 5.891 528 HA TYR 65 HA TYR 65 -11.956 0.943 4.509 529 1HB TYR 65 1HB TYR 65 -11.431 -0.554 7.048 530 2HB TYR 65 2HB TYR 65 -12.579 0.763 7.147 531 HD1 TYR 65 HD1 TYR 65 -12.332 -2.684 6.407 532 HD2 TYR 65 HD2 TYR 65 -14.409 0.917 5.296 533 HE1 TYR 65 HE1 TYR 65 -14.209 -4.039 5.527 534 HE2 TYR 65 HE2 TYR 65 -16.316 -0.437 4.457 535 HH TYR 65 HH TYR 65 -16.304 -4.008 4.567 536 H ALA 66 H ALA 66 -12.270 3.088 4.565 537 HA ALA 66 HA ALA 66 -11.168 4.687 6.810 538 1HB ALA 66 1HB ALA 66 -9.620 4.978 4.892 539 2HB ALA 66 2HB ALA 66 -10.989 5.471 3.868 540 3HB ALA 66 3HB ALA 66 -10.518 6.461 5.272 541 H SER 67 H SER 67 -12.789 5.855 7.682 542 HA SER 67 HA SER 67 -14.933 6.516 8.107 543 1HB SER 67 1HB SER 67 -13.921 8.169 6.320 544 2HB SER 67 2HB SER 67 -15.119 7.460 5.230 545 HG SER 67 HG SER 67 -15.623 8.703 7.752 546 H ASP 68 H ASP 68 -14.803 3.823 7.484 547 HA ASP 68 HA ASP 68 -15.957 2.004 6.919 548 1HB ASP 68 1HB ASP 68 -17.650 3.170 8.360 549 2HB ASP 68 2HB ASP 68 -18.420 3.793 6.890 550 H LYS 69 H LYS 69 -14.951 3.812 4.658 551 HA LYS 69 HA LYS 69 -16.470 2.482 2.447 552 1HB LYS 69 1HB LYS 69 -14.569 4.847 2.394 553 2HB LYS 69 2HB LYS 69 -15.420 4.155 1.006 554 1HG LYS 69 1HG LYS 69 -16.691 5.575 3.393 555 2HG LYS 69 2HG LYS 69 -16.441 6.246 1.780 556 1HD LYS 69 1HD LYS 69 -17.928 4.438 0.838 557 2HD LYS 69 2HD LYS 69 -18.265 3.907 2.505 558 1HE LYS 69 1HE LYS 69 -19.147 6.152 3.059 559 2HE LYS 69 2HE LYS 69 -18.828 6.696 1.398 560 1HZ LYS 69 1HZ LYS 69 -20.357 5.033 0.626 561 2HZ LYS 69 2HZ LYS 69 -20.655 4.532 2.169 562 3HZ LYS 69 3HZ LYS 69 -21.092 6.049 1.695 563 H LEU 70 H LEU 70 -15.364 0.924 1.352 564 HA LEU 70 HA LEU 70 -12.696 0.184 2.345 565 1HB LEU 70 1HB LEU 70 -14.527 -1.417 2.324 566 2HB LEU 70 2HB LEU 70 -14.726 -1.257 0.597 567 HG LEU 70 HG LEU 70 -13.593 -3.300 1.435 568 1HD1 LEU 70 1HD1 LEU 70 -13.320 -2.662 -0.895 569 2HD1 LEU 70 2HD1 LEU 70 -11.837 -1.760 -0.497 570 3HD1 LEU 70 3HD1 LEU 70 -11.917 -3.515 -0.253 571 1HD2 LEU 70 1HD2 LEU 70 -11.155 -1.548 1.956 572 2HD2 LEU 70 2HD2 LEU 70 -12.225 -2.187 3.227 573 3HD2 LEU 70 3HD2 LEU 70 -11.307 -3.293 2.187 574 H PHE 71 H PHE 71 -10.897 0.674 1.219 575 HA PHE 71 HA PHE 71 -11.021 1.256 -1.715 576 1HB PHE 71 1HB PHE 71 -9.737 2.817 0.561 577 2HB PHE 71 2HB PHE 71 -9.136 2.920 -1.077 578 HD1 PHE 71 HD1 PHE 71 -10.022 4.396 -2.633 579 HD2 PHE 71 HD2 PHE 71 -12.145 3.623 1.035 580 HE1 PHE 71 HE1 PHE 71 -11.329 6.438 -2.971 581 HE2 PHE 71 HE2 PHE 71 -13.421 5.738 0.711 582 HZ PHE 71 HZ PHE 71 -13.026 7.140 -1.288 583 H ARG 72 H ARG 72 -8.942 0.939 -2.742 584 HA ARG 72 HA ARG 72 -7.091 -0.908 -1.299 585 1HB ARG 72 1HB ARG 72 -8.020 -1.763 -3.491 586 2HB ARG 72 2HB ARG 72 -7.286 -0.360 -4.279 587 1HG ARG 72 1HG ARG 72 -5.662 -2.029 -4.586 588 2HG ARG 72 2HG ARG 72 -5.036 -1.160 -3.193 589 1HD ARG 72 1HD ARG 72 -4.842 -3.339 -2.448 590 2HD ARG 72 2HD ARG 72 -6.429 -2.974 -1.812 591 HE ARG 72 HE ARG 72 -7.406 -3.947 -3.865 592 1HH1 ARG 72 1HH1 ARG 72 -4.234 -5.179 -2.782 593 2HH1 ARG 72 2HH1 ARG 72 -4.369 -6.631 -3.724 594 1HH2 ARG 72 1HH2 ARG 72 -7.673 -5.953 -4.790 595 2HH2 ARG 72 2HH2 ARG 72 -6.330 -7.062 -4.931 596 H ALA 73 H ALA 73 -5.238 0.011 -0.631 597 HA ALA 73 HA ALA 73 -4.374 2.637 -1.775 598 1HB ALA 73 1HB ALA 73 -4.708 2.537 0.693 599 2HB ALA 73 2HB ALA 73 -3.461 1.277 0.774 600 3HB ALA 73 3HB ALA 73 -3.047 2.907 0.196 601 H ASP 74 H ASP 74 -2.554 2.645 -3.004 602 HA ASP 74 HA ASP 74 -0.736 0.284 -2.937 603 1HB ASP 74 1HB ASP 74 -2.096 0.306 -5.021 604 2HB ASP 74 2HB ASP 74 -1.404 1.889 -5.426 605 H ILE 75 H ILE 75 1.240 0.782 -2.463 606 HA ILE 75 HA ILE 75 2.165 3.619 -2.350 607 HB ILE 75 HB ILE 75 2.296 1.451 -0.199 608 1HG1 ILE 75 1HG1 ILE 75 1.216 3.639 1.049 609 2HG1 ILE 75 2HG1 ILE 75 0.530 3.830 -0.564 610 1HG2 ILE 75 1HG2 ILE 75 4.395 2.658 -0.131 611 2HG2 ILE 75 2HG2 ILE 75 3.526 4.213 -0.097 612 3HG2 ILE 75 3HG2 ILE 75 3.403 3.061 1.253 613 1HD1 ILE 75 1HD1 ILE 75 -0.359 1.488 -0.421 614 2HD1 ILE 75 2HD1 ILE 75 0.400 1.323 1.176 615 3HD1 ILE 75 3HD1 ILE 75 -0.912 2.491 0.932 616 H SER 76 H SER 76 4.555 3.736 -2.461 617 HA SER 76 HA SER 76 5.901 1.128 -2.891 618 1HB SER 76 1HB SER 76 6.326 3.617 -4.590 619 2HB SER 76 2HB SER 76 7.320 2.152 -4.637 620 HG SER 76 HG SER 76 5.674 2.122 -6.253 621 H GLU 77 H GLU 77 8.208 1.270 -2.610 622 HA GLU 77 HA GLU 77 9.128 3.372 -0.738 623 1HB GLU 77 1HB GLU 77 8.402 1.383 0.539 624 2HB GLU 77 2HB GLU 77 9.503 0.365 -0.387 625 1HG GLU 77 1HG GLU 77 10.776 2.762 0.887 626 2HG GLU 77 2HG GLU 77 10.066 1.618 2.018 627 H ASP 78 H ASP 78 11.126 4.120 -1.309 628 HA ASP 78 HA ASP 78 12.611 2.763 -3.516 629 1HB ASP 78 1HB ASP 78 12.394 5.643 -2.582 630 2HB ASP 78 2HB ASP 78 13.735 5.063 -3.574 631 H TYR 79 H TYR 79 14.136 1.507 -2.729 632 HA TYR 79 HA TYR 79 14.932 1.353 -0.040 633 1HB TYR 79 1HB TYR 79 14.993 -0.482 -1.702 634 2HB TYR 79 2HB TYR 79 16.309 0.323 -2.553 635 HD1 TYR 79 HD1 TYR 79 18.541 -0.231 -1.990 636 HD2 TYR 79 HD2 TYR 79 15.384 -1.021 0.843 637 HE1 TYR 79 HE1 TYR 79 20.157 -1.372 -0.497 638 HE2 TYR 79 HE2 TYR 79 16.999 -2.179 2.318 639 HH TYR 79 HH TYR 79 19.194 -2.814 2.628 640 H LYS 80 H LYS 80 16.235 3.203 -2.721 641 HA LYS 80 HA LYS 80 18.801 3.856 -1.862 642 1HB LYS 80 1HB LYS 80 16.674 5.121 -3.598 643 2HB LYS 80 2HB LYS 80 17.987 6.155 -3.048 644 1HG LYS 80 1HG LYS 80 19.665 4.613 -3.948 645 2HG LYS 80 2HG LYS 80 18.383 3.540 -4.555 646 1HD LYS 80 1HD LYS 80 17.561 5.294 -6.047 647 2HD LYS 80 2HD LYS 80 18.650 6.493 -5.315 648 1HE LYS 80 1HE LYS 80 20.621 5.233 -6.127 649 2HE LYS 80 2HE LYS 80 19.555 4.025 -6.874 650 1HZ LYS 80 1HZ LYS 80 18.678 5.748 -8.266 651 2HZ LYS 80 2HZ LYS 80 19.644 6.881 -7.555 652 3HZ LYS 80 3HZ LYS 80 20.313 5.657 -8.433 653 H THR 81 H THR 81 15.731 4.982 -0.527 654 HA THR 81 HA THR 81 17.380 6.024 1.693 655 HB THR 81 HB THR 81 15.179 7.842 0.668 656 HG1 THR 81 HG1 THR 81 17.845 7.600 -0.201 657 1HG2 THR 81 1HG2 THR 81 17.719 8.347 2.299 658 2HG2 THR 81 2HG2 THR 81 16.544 9.578 1.799 659 3HG2 THR 81 3HG2 THR 81 16.067 8.324 2.950 660 H ARG 82 H ARG 82 15.383 3.809 0.953 661 HA ARG 82 HA ARG 82 13.569 2.753 1.767 662 1HB ARG 82 1HB ARG 82 15.187 2.861 3.808 663 2HB ARG 82 2HB ARG 82 14.071 4.072 4.450 664 1HG ARG 82 1HG ARG 82 12.225 2.233 4.008 665 2HG ARG 82 2HG ARG 82 13.596 1.124 3.872 666 1HD ARG 82 1HD ARG 82 12.892 2.911 6.233 667 2HD ARG 82 2HD ARG 82 12.712 1.141 6.166 668 HE ARG 82 HE ARG 82 15.399 1.648 5.624 669 1HH1 ARG 82 1HH1 ARG 82 13.173 2.210 8.304 670 2HH1 ARG 82 2HH1 ARG 82 14.412 2.214 9.530 671 1HH2 ARG 82 1HH2 ARG 82 17.040 1.657 7.208 672 2HH2 ARG 82 2HH2 ARG 82 16.652 1.882 8.892 673 H GLY 83 H GLY 83 13.133 5.318 0.520 674 1HA GLY 83 1HA GLY 83 11.330 6.881 2.285 675 2HA GLY 83 2HA GLY 83 11.922 7.367 0.702 676 H ARG 84 H ARG 84 9.137 6.694 2.159 677 HA ARG 84 HA ARG 84 8.046 5.017 -0.011 678 1HB ARG 84 1HB ARG 84 6.723 5.796 2.564 679 2HB ARG 84 2HB ARG 84 6.108 4.659 1.373 680 1HG ARG 84 1HG ARG 84 8.182 3.288 1.636 681 2HG ARG 84 2HG ARG 84 8.605 4.245 3.057 682 1HD ARG 84 1HD ARG 84 6.653 3.436 4.256 683 2HD ARG 84 2HD ARG 84 5.887 2.887 2.766 684 HE ARG 84 HE ARG 84 6.917 0.898 2.910 685 1HH1 ARG 84 1HH1 ARG 84 8.768 3.142 4.873 686 2HH1 ARG 84 2HH1 ARG 84 9.911 1.973 5.468 687 1HH2 ARG 84 1HH2 ARG 84 8.392 -0.701 3.588 688 2HH2 ARG 84 2HH2 ARG 84 9.666 -0.237 4.694 689 H LYS 85 H LYS 85 5.870 5.413 -0.642 690 HA LYS 85 HA LYS 85 4.975 8.167 -0.958 691 1HB LYS 85 1HB LYS 85 5.445 8.301 -3.370 692 2HB LYS 85 2HB LYS 85 6.921 8.172 -2.401 693 1HG LYS 85 1HG LYS 85 6.629 5.559 -2.892 694 2HG LYS 85 2HG LYS 85 5.670 6.135 -4.250 695 1HD LYS 85 1HD LYS 85 8.550 6.847 -3.533 696 2HD LYS 85 2HD LYS 85 8.059 5.714 -4.792 697 1HE LYS 85 1HE LYS 85 7.513 8.729 -4.781 698 2HE LYS 85 2HE LYS 85 8.714 7.885 -5.766 699 1HZ LYS 85 1HZ LYS 85 6.925 6.701 -6.826 700 2HZ LYS 85 2HZ LYS 85 5.806 7.511 -5.926 701 3HZ LYS 85 3HZ LYS 85 6.744 8.329 -7.002 702 H LEU 86 H LEU 86 2.858 8.215 -1.321 703 HA LEU 86 HA LEU 86 1.277 5.842 -1.775 704 1HB LEU 86 1HB LEU 86 0.462 7.795 -0.500 705 2HB LEU 86 2HB LEU 86 0.680 8.826 -1.917 706 HG LEU 86 HG LEU 86 -1.082 7.500 -3.128 707 1HD1 LEU 86 1HD1 LEU 86 -0.976 5.369 -1.897 708 2HD1 LEU 86 2HD1 LEU 86 -1.411 6.199 -0.390 709 3HD1 LEU 86 3HD1 LEU 86 -2.584 6.074 -1.712 710 1HD2 LEU 86 1HD2 LEU 86 -1.881 8.731 -0.461 711 2HD2 LEU 86 2HD2 LEU 86 -1.607 9.611 -1.978 712 3HD2 LEU 86 3HD2 LEU 86 -2.960 8.474 -1.851 713 H LEU 87 H LEU 87 0.979 4.892 -3.798 714 HA LEU 87 HA LEU 87 1.609 6.455 -6.263 715 1HB LEU 87 1HB LEU 87 1.234 3.547 -5.624 716 2HB LEU 87 2HB LEU 87 0.689 4.125 -7.200 717 HG LEU 87 HG LEU 87 2.867 5.017 -7.747 718 1HD1 LEU 87 1HD1 LEU 87 3.707 5.706 -5.554 719 2HD1 LEU 87 2HD1 LEU 87 3.718 4.020 -4.997 720 3HD1 LEU 87 3HD1 LEU 87 4.834 4.555 -6.279 721 1HD2 LEU 87 1HD2 LEU 87 3.084 2.169 -6.686 722 2HD2 LEU 87 2HD2 LEU 87 2.351 2.634 -8.234 723 3HD2 LEU 87 3HD2 LEU 87 4.081 2.901 -7.959 724 H ARG 88 H ARG 88 -1.125 4.682 -4.666 725 HA ARG 88 HA ARG 88 -2.914 6.742 -5.535 726 1HB ARG 88 1HB ARG 88 -2.451 4.692 -7.455 727 2HB ARG 88 2HB ARG 88 -3.939 4.205 -6.692 728 1HG ARG 88 1HG ARG 88 -5.154 5.829 -7.720 729 2HG ARG 88 2HG ARG 88 -3.984 7.094 -7.352 730 1HD ARG 88 1HD ARG 88 -3.709 5.107 -9.633 731 2HD ARG 88 2HD ARG 88 -4.172 6.823 -9.757 732 HE ARG 88 HE ARG 88 -1.746 6.620 -8.299 733 1HH1 ARG 88 1HH1 ARG 88 -2.871 6.181 -11.621 734 2HH1 ARG 88 2HH1 ARG 88 -1.317 6.526 -12.336 735 1HH2 ARG 88 1HH2 ARG 88 0.215 7.103 -9.171 736 2HH2 ARG 88 2HH2 ARG 88 0.511 7.060 -10.895 737 H PHE 89 H PHE 89 -5.133 6.344 -4.896 738 HA PHE 89 HA PHE 89 -5.509 4.248 -2.817 739 1HB PHE 89 1HB PHE 89 -5.022 6.595 -1.907 740 2HB PHE 89 2HB PHE 89 -6.548 7.092 -2.612 741 HD1 PHE 89 HD1 PHE 89 -8.658 6.389 -1.584 742 HD2 PHE 89 HD2 PHE 89 -4.874 5.036 -0.034 743 HE1 PHE 89 HE1 PHE 89 -9.738 5.830 0.567 744 HE2 PHE 89 HE2 PHE 89 -5.943 4.541 2.136 745 HZ PHE 89 HZ PHE 89 -8.394 4.894 2.437 746 H ASN 90 H ASN 90 -6.557 2.983 -4.418 747 HA ASN 90 HA ASN 90 -8.455 4.299 -6.251 748 1HB ASN 90 1HB ASN 90 -7.821 1.358 -6.039 749 2HB ASN 90 2HB ASN 90 -8.522 2.205 -7.408 750 1HD2 ASN 90 1HD2 ASN 90 -7.109 3.737 -8.645 751 2HD2 ASN 90 2HD2 ASN 90 -5.380 3.430 -8.640 752 H GLY 91 H GLY 91 -10.645 4.075 -6.103 753 1HA GLY 91 1HA GLY 91 -12.382 2.323 -5.305 754 2HA GLY 91 2HA GLY 91 -11.762 2.730 -3.704 755 HA PRO 92 HA PRO 92 -13.516 2.906 -2.377 756 1HB PRO 92 1HB PRO 92 -16.204 2.935 -1.959 757 2HB PRO 92 2HB PRO 92 -15.095 4.184 -1.331 758 1HG PRO 92 1HG PRO 92 -16.755 4.304 -3.871 759 2HG PRO 92 2HG PRO 92 -16.670 5.532 -2.572 760 1HD PRO 92 1HD PRO 92 -15.161 5.734 -4.837 761 2HD PRO 92 2HD PRO 92 -14.482 6.203 -3.255 762 H VAL 93 H VAL 93 -14.288 0.685 -2.399 763 HA VAL 93 HA VAL 93 -15.924 -0.193 -4.678 764 HB VAL 93 HB VAL 93 -14.291 -2.200 -4.906 765 1HG1 VAL 93 1HG1 VAL 93 -14.732 -0.589 -6.711 766 2HG1 VAL 93 2HG1 VAL 93 -13.444 0.462 -6.094 767 3HG1 VAL 93 3HG1 VAL 93 -13.052 -1.152 -6.708 768 1HG2 VAL 93 1HG2 VAL 93 -12.249 -0.158 -3.924 769 2HG2 VAL 93 2HG2 VAL 93 -12.782 -1.588 -3.014 770 3HG2 VAL 93 3HG2 VAL 93 -11.932 -1.781 -4.554 771 HA PRO 94 HA PRO 94 -17.318 -2.653 -1.226 772 1HB PRO 94 1HB PRO 94 -18.724 -4.667 -2.444 773 2HB PRO 94 2HB PRO 94 -19.293 -2.971 -2.465 774 1HG PRO 94 1HG PRO 94 -17.717 -4.424 -4.613 775 2HG PRO 94 2HG PRO 94 -19.217 -3.473 -4.820 776 1HD PRO 94 1HD PRO 94 -16.734 -2.414 -5.273 777 2HD PRO 94 2HD PRO 94 -18.047 -1.426 -4.566 778 HA PRO 95 HA PRO 95 -14.270 -6.001 -1.133 779 1HB PRO 95 1HB PRO 95 -15.299 -7.701 0.759 780 2HB PRO 95 2HB PRO 95 -14.585 -6.113 1.171 781 1HG PRO 95 1HG PRO 95 -17.517 -6.774 0.773 782 2HG PRO 95 2HG PRO 95 -16.775 -5.892 2.140 783 1HD PRO 95 1HD PRO 95 -17.931 -4.604 0.031 784 2HD PRO 95 2HD PRO 95 -16.461 -3.945 0.810 785 HA PRO 96 HA PRO 96 -16.313 -8.764 -4.024 786 1HB PRO 96 1HB PRO 96 -14.524 -10.819 -4.244 787 2HB PRO 96 2HB PRO 96 -14.199 -9.182 -4.880 788 1HG PRO 96 1HG PRO 96 -13.307 -10.331 -2.220 789 2HG PRO 96 2HG PRO 96 -12.300 -9.497 -3.439 790 1HD PRO 96 1HD PRO 96 -13.326 -8.186 -1.281 791 2HD PRO 96 2HD PRO 96 -13.239 -7.383 -2.880 Start of MODEL 16 1 1H GLY 1 1H GLY 1 8.456 -15.349 -4.971 2 2H GLY 1 2H GLY 1 9.746 -14.369 -5.290 3 3H GLY 1 3H GLY 1 9.978 -15.983 -5.029 4 1HA GLY 1 1HA GLY 1 9.253 -15.803 -2.773 5 2HA GLY 1 2HA GLY 1 10.638 -14.745 -3.098 6 H GLU 2 H GLU 2 10.055 -12.461 -3.812 7 HA GLU 2 HA GLU 2 8.364 -11.326 -1.785 8 1HB GLU 2 1HB GLU 2 9.567 -9.838 -4.139 9 2HB GLU 2 2HB GLU 2 9.109 -9.221 -2.550 10 1HG GLU 2 1HG GLU 2 11.352 -9.386 -2.179 11 2HG GLU 2 2HG GLU 2 10.963 -11.068 -1.767 12 H TRP 3 H TRP 3 6.426 -12.618 -2.641 13 HA TRP 3 HA TRP 3 4.582 -10.599 -3.441 14 1HB TRP 3 1HB TRP 3 5.262 -11.134 -5.658 15 2HB TRP 3 2HB TRP 3 4.939 -12.858 -5.361 16 HD1 TRP 3 HD1 TRP 3 3.095 -13.327 -7.005 17 HE1 TRP 3 HE1 TRP 3 0.871 -12.302 -7.720 18 HE3 TRP 3 HE3 TRP 3 3.163 -9.130 -4.081 19 HZ2 TRP 3 HZ2 TRP 3 -0.607 -9.853 -7.229 20 HZ3 TRP 3 HZ3 TRP 3 1.463 -7.388 -4.352 21 HH2 TRP 3 HH2 TRP 3 -0.462 -7.744 -5.906 22 H GLU 4 H GLU 4 3.946 -11.056 -1.335 23 HA GLU 4 HA GLU 4 2.242 -13.419 -1.007 24 1HB GLU 4 1HB GLU 4 4.524 -14.111 -0.288 25 2HB GLU 4 2HB GLU 4 4.544 -12.790 0.899 26 1HG GLU 4 1HG GLU 4 2.705 -13.848 2.131 27 2HG GLU 4 2HG GLU 4 2.499 -15.060 0.847 28 H ILE 5 H ILE 5 0.916 -13.153 0.937 29 HA ILE 5 HA ILE 5 0.000 -10.391 1.168 30 HB ILE 5 HB ILE 5 -1.083 -12.758 2.641 31 1HG1 ILE 5 1HG1 ILE 5 -2.923 -12.495 0.701 32 2HG1 ILE 5 2HG1 ILE 5 -1.533 -11.987 -0.250 33 1HG2 ILE 5 1HG2 ILE 5 -1.771 -10.573 3.436 34 2HG2 ILE 5 2HG2 ILE 5 -2.384 -10.170 1.811 35 3HG2 ILE 5 3HG2 ILE 5 -3.125 -11.472 2.758 36 1HD1 ILE 5 1HD1 ILE 5 -0.474 -14.220 0.191 37 2HD1 ILE 5 2HD1 ILE 5 -1.809 -14.622 1.291 38 3HD1 ILE 5 3HD1 ILE 5 -2.107 -14.415 -0.444 39 H ILE 6 H ILE 6 0.408 -9.132 2.943 40 HA ILE 6 HA ILE 6 2.384 -10.165 4.920 41 HB ILE 6 HB ILE 6 2.789 -7.857 5.482 42 1HG1 ILE 6 1HG1 ILE 6 1.086 -7.012 3.113 43 2HG1 ILE 6 2HG1 ILE 6 0.532 -6.907 4.794 44 1HG2 ILE 6 1HG2 ILE 6 4.082 -9.082 3.713 45 2HG2 ILE 6 2HG2 ILE 6 3.046 -8.334 2.478 46 3HG2 ILE 6 3HG2 ILE 6 4.096 -7.330 3.501 47 1HD1 ILE 6 1HD1 ILE 6 2.433 -5.385 5.295 48 2HD1 ILE 6 2HD1 ILE 6 2.926 -5.454 3.584 49 3HD1 ILE 6 3HD1 ILE 6 1.363 -4.764 4.017 50 H ASP 7 H ASP 7 2.090 -9.744 7.165 51 HA ASP 7 HA ASP 7 -0.563 -10.358 8.072 52 1HB ASP 7 1HB ASP 7 1.838 -9.355 9.659 53 2HB ASP 7 2HB ASP 7 0.371 -10.079 10.316 54 H ILE 8 H ILE 8 -2.205 -8.869 8.357 55 HA ILE 8 HA ILE 8 -1.746 -6.048 8.618 56 HB ILE 8 HB ILE 8 -4.098 -6.075 9.226 57 1HG1 ILE 8 1HG1 ILE 8 -4.083 -9.113 8.976 58 2HG1 ILE 8 2HG1 ILE 8 -4.173 -8.224 10.504 59 1HG2 ILE 8 1HG2 ILE 8 -3.564 -7.882 6.829 60 2HG2 ILE 8 2HG2 ILE 8 -4.921 -6.771 7.031 61 3HG2 ILE 8 3HG2 ILE 8 -3.294 -6.132 6.839 62 1HD1 ILE 8 1HD1 ILE 8 -6.272 -7.127 9.727 63 2HD1 ILE 8 2HD1 ILE 8 -6.233 -8.149 8.268 64 3HD1 ILE 8 3HD1 ILE 8 -6.388 -8.893 9.864 65 H GLY 9 H GLY 9 -1.830 -4.866 10.599 66 1HA GLY 9 1HA GLY 9 -1.786 -5.519 13.221 67 2HA GLY 9 2HA GLY 9 -0.234 -6.158 12.611 68 HA PRO 10 HA PRO 10 -0.292 -1.588 13.819 69 1HB PRO 10 1HB PRO 10 2.214 -1.524 15.084 70 2HB PRO 10 2HB PRO 10 0.633 -1.820 15.854 71 1HG PRO 10 1HG PRO 10 2.639 -3.865 14.898 72 2HG PRO 10 2HG PRO 10 1.732 -3.845 16.437 73 1HD PRO 10 1HD PRO 10 0.920 -5.390 14.399 74 2HD PRO 10 2HD PRO 10 -0.300 -4.476 15.332 75 H PHE 11 H PHE 11 2.677 -3.231 12.587 76 HA PHE 11 HA PHE 11 3.853 -1.048 11.310 77 1HB PHE 11 1HB PHE 11 4.985 -3.168 11.580 78 2HB PHE 11 2HB PHE 11 3.790 -4.004 10.596 79 HD1 PHE 11 HD1 PHE 11 3.990 -4.121 8.208 80 HD2 PHE 11 HD2 PHE 11 6.524 -1.450 10.469 81 HE1 PHE 11 HE1 PHE 11 5.449 -3.824 6.233 82 HE2 PHE 11 HE2 PHE 11 7.965 -1.143 8.475 83 HZ PHE 11 HZ PHE 11 7.451 -2.356 6.366 84 H THR 12 H THR 12 1.568 -3.448 9.906 85 HA THR 12 HA THR 12 1.495 -2.300 7.339 86 HB THR 12 HB THR 12 -0.496 -4.091 8.701 87 HG1 THR 12 HG1 THR 12 0.957 -5.714 8.130 88 1HG2 THR 12 1HG2 THR 12 -1.262 -3.374 6.464 89 2HG2 THR 12 2HG2 THR 12 0.323 -3.747 5.782 90 3HG2 THR 12 3HG2 THR 12 -0.717 -5.061 6.380 91 H GLN 13 H GLN 13 -0.597 -1.910 10.210 92 HA GLN 13 HA GLN 13 -2.495 -0.083 9.085 93 1HB GLN 13 1HB GLN 13 -1.329 -0.502 11.881 94 2HB GLN 13 2HB GLN 13 -2.617 0.639 11.530 95 1HG GLN 13 1HG GLN 13 -4.146 -1.104 10.898 96 2HG GLN 13 2HG GLN 13 -2.860 -2.313 10.841 97 1HE2 GLN 13 1HE2 GLN 13 -4.456 -0.034 13.160 98 2HE2 GLN 13 2HE2 GLN 13 -4.298 -1.124 14.524 99 H ASN 14 H ASN 14 0.650 0.530 10.768 100 HA ASN 14 HA ASN 14 0.563 3.305 10.586 101 1HB ASN 14 1HB ASN 14 2.300 2.054 11.823 102 2HB ASN 14 2HB ASN 14 3.039 1.554 10.302 103 1HD2 ASN 14 1HD2 ASN 14 2.338 4.396 12.355 104 2HD2 ASN 14 2HD2 ASN 14 3.544 5.416 11.589 105 H LEU 15 H LEU 15 1.852 1.007 8.119 106 HA LEU 15 HA LEU 15 2.511 3.091 6.235 107 1HB LEU 15 1HB LEU 15 1.887 0.144 5.863 108 2HB LEU 15 2HB LEU 15 2.376 1.202 4.534 109 HG LEU 15 HG LEU 15 4.063 0.735 7.038 110 1HD1 LEU 15 1HD1 LEU 15 3.824 -1.331 5.747 111 2HD1 LEU 15 2HD1 LEU 15 4.239 -0.474 4.246 112 3HD1 LEU 15 3HD1 LEU 15 5.453 -0.665 5.527 113 1HD2 LEU 15 1HD2 LEU 15 4.663 2.105 4.368 114 2HD2 LEU 15 2HD2 LEU 15 4.658 2.873 5.970 115 3HD2 LEU 15 3HD2 LEU 15 5.888 1.676 5.576 116 H GLY 16 H GLY 16 -0.425 1.061 6.554 117 1HA GLY 16 1HA GLY 16 -1.896 2.198 4.390 118 2HA GLY 16 2HA GLY 16 -2.573 1.414 5.827 119 H LYS 17 H LYS 17 -1.178 3.454 7.594 120 HA LYS 17 HA LYS 17 -3.429 5.275 7.708 121 1HB LYS 17 1HB LYS 17 -2.016 4.080 9.659 122 2HB LYS 17 2HB LYS 17 -0.988 5.490 9.503 123 1HG LYS 17 1HG LYS 17 -3.948 5.346 10.167 124 2HG LYS 17 2HG LYS 17 -2.611 5.840 11.224 125 1HD LYS 17 1HD LYS 17 -2.170 7.738 9.551 126 2HD LYS 17 2HD LYS 17 -3.686 7.272 8.756 127 1HE LYS 17 1HE LYS 17 -4.196 9.121 10.199 128 2HE LYS 17 2HE LYS 17 -4.933 7.665 10.890 129 1HZ LYS 17 1HZ LYS 17 -3.086 7.547 12.413 130 2HZ LYS 17 2HZ LYS 17 -2.397 8.887 11.744 131 3HZ LYS 17 3HZ LYS 17 -3.839 9.006 12.532 132 H PHE 18 H PHE 18 0.093 5.379 7.471 133 HA PHE 18 HA PHE 18 0.601 8.044 6.816 134 1HB PHE 18 1HB PHE 18 2.467 6.668 7.208 135 2HB PHE 18 2HB PHE 18 1.882 5.396 6.158 136 HD1 PHE 18 HD1 PHE 18 2.530 5.200 3.902 137 HD2 PHE 18 HD2 PHE 18 3.233 8.889 6.033 138 HE1 PHE 18 HE1 PHE 18 3.896 6.038 2.012 139 HE2 PHE 18 HE2 PHE 18 4.606 9.713 4.133 140 HZ PHE 18 HZ PHE 18 4.997 8.263 2.172 141 H ALA 19 H ALA 19 -0.400 5.393 4.653 142 HA ALA 19 HA ALA 19 -0.345 6.816 2.214 143 1HB ALA 19 1HB ALA 19 -0.737 4.386 2.436 144 2HB ALA 19 2HB ALA 19 -2.353 4.688 3.088 145 3HB ALA 19 3HB ALA 19 -1.985 5.152 1.428 146 H VAL 20 H VAL 20 -3.045 6.404 4.477 147 HA VAL 20 HA VAL 20 -4.849 8.175 3.093 148 HB VAL 20 HB VAL 20 -4.834 7.155 5.956 149 1HG1 VAL 20 1HG1 VAL 20 -6.137 9.209 5.989 150 2HG1 VAL 20 2HG1 VAL 20 -6.914 8.792 4.448 151 3HG1 VAL 20 3HG1 VAL 20 -7.285 7.866 5.915 152 1HG2 VAL 20 1HG2 VAL 20 -6.491 6.432 3.488 153 2HG2 VAL 20 2HG2 VAL 20 -5.173 5.450 4.153 154 3HG2 VAL 20 3HG2 VAL 20 -6.657 5.701 5.093 155 H ASP 21 H ASP 21 -2.470 8.707 5.701 156 HA ASP 21 HA ASP 21 -3.269 11.329 6.389 157 1HB ASP 21 1HB ASP 21 -1.819 9.985 7.818 158 2HB ASP 21 2HB ASP 21 -0.555 9.964 6.582 159 H GLU 22 H GLU 22 -0.808 10.114 4.101 160 HA GLU 22 HA GLU 22 0.076 12.625 3.118 161 1HB GLU 22 1HB GLU 22 1.220 10.396 2.868 162 2HB GLU 22 2HB GLU 22 0.008 9.929 1.671 163 1HG GLU 22 1HG GLU 22 0.778 11.637 0.136 164 2HG GLU 22 2HG GLU 22 1.735 12.428 1.399 165 H GLU 23 H GLU 23 -2.419 10.326 1.933 166 HA GLU 23 HA GLU 23 -3.287 11.771 -0.313 167 1HB GLU 23 1HB GLU 23 -3.922 9.423 0.307 168 2HB GLU 23 2HB GLU 23 -4.966 10.080 1.574 169 1HG GLU 23 1HG GLU 23 -6.303 11.305 -0.111 170 2HG GLU 23 2HG GLU 23 -5.206 10.681 -1.389 171 H ASN 24 H ASN 24 -4.414 11.963 3.091 172 HA ASN 24 HA ASN 24 -6.413 13.955 2.729 173 1HB ASN 24 1HB ASN 24 -4.777 12.893 5.074 174 2HB ASN 24 2HB ASN 24 -5.887 14.234 5.242 175 1HD2 ASN 24 1HD2 ASN 24 -6.447 12.293 6.872 176 2HD2 ASN 24 2HD2 ASN 24 -7.846 11.378 6.336 177 H LYS 25 H LYS 25 -2.917 14.082 3.553 178 HA LYS 25 HA LYS 25 -2.808 16.808 4.203 179 1HB LYS 25 1HB LYS 25 -0.985 14.995 4.462 180 2HB LYS 25 2HB LYS 25 -0.613 15.278 2.757 181 1HG LYS 25 1HG LYS 25 0.928 16.603 3.877 182 2HG LYS 25 2HG LYS 25 -0.324 17.779 3.450 183 1HD LYS 25 1HD LYS 25 -1.289 17.524 5.772 184 2HD LYS 25 2HD LYS 25 -0.007 16.355 6.140 185 1HE LYS 25 1HE LYS 25 1.709 18.130 5.673 186 2HE LYS 25 2HE LYS 25 0.390 19.288 5.407 187 1HZ LYS 25 1HZ LYS 25 -0.314 18.888 7.662 188 2HZ LYS 25 2HZ LYS 25 0.922 17.824 7.895 189 3HZ LYS 25 3HZ LYS 25 1.244 19.415 7.618 190 H ILE 26 H ILE 26 -2.444 15.141 1.059 191 HA ILE 26 HA ILE 26 -2.223 17.594 -0.487 192 HB ILE 26 HB ILE 26 -3.046 14.800 -1.340 193 1HG1 ILE 26 1HG1 ILE 26 -0.314 16.126 -1.615 194 2HG1 ILE 26 2HG1 ILE 26 -0.714 15.043 -0.284 195 1HG2 ILE 26 1HG2 ILE 26 -3.712 16.580 -2.980 196 2HG2 ILE 26 2HG2 ILE 26 -2.051 17.194 -2.969 197 3HG2 ILE 26 3HG2 ILE 26 -2.413 15.588 -3.629 198 1HD1 ILE 26 1HD1 ILE 26 -1.265 13.233 -1.896 199 2HD1 ILE 26 2HD1 ILE 26 -0.672 14.268 -3.218 200 3HD1 ILE 26 3HD1 ILE 26 0.429 13.760 -1.931 201 H GLY 27 H GLY 27 -4.914 15.419 0.430 202 1HA GLY 27 1HA GLY 27 -7.048 16.078 1.002 203 2HA GLY 27 2HA GLY 27 -6.848 17.629 0.183 204 H GLN 28 H GLN 28 -5.910 14.716 -1.524 205 HA GLN 28 HA GLN 28 -7.449 15.425 -3.781 206 1HB GLN 28 1HB GLN 28 -6.346 12.658 -3.117 207 2HB GLN 28 2HB GLN 28 -6.846 13.251 -4.710 208 1HG GLN 28 1HG GLN 28 -5.103 15.090 -4.479 209 2HG GLN 28 2HG GLN 28 -4.536 14.259 -3.020 210 1HE2 GLN 28 1HE2 GLN 28 -4.423 14.290 -6.502 211 2HE2 GLN 28 2HE2 GLN 28 -3.415 12.864 -6.654 212 H TYR 29 H TYR 29 -8.176 13.184 -1.163 213 HA TYR 29 HA TYR 29 -10.991 12.862 -2.183 214 1HB TYR 29 1HB TYR 29 -9.094 10.958 -0.816 215 2HB TYR 29 2HB TYR 29 -10.804 10.874 -0.456 216 HD1 TYR 29 HD1 TYR 29 -8.412 10.694 -3.328 217 HD2 TYR 29 HD2 TYR 29 -12.398 9.902 -1.885 218 HE1 TYR 29 HE1 TYR 29 -8.851 9.280 -5.312 219 HE2 TYR 29 HE2 TYR 29 -12.862 8.557 -3.915 220 HH TYR 29 HH TYR 29 -10.377 7.930 -6.397 221 H GLY 30 H GLY 30 -9.911 15.163 -0.783 222 1HA GLY 30 1HA GLY 30 -10.538 16.530 0.982 223 2HA GLY 30 2HA GLY 30 -11.913 15.452 1.244 224 H ARG 31 H ARG 31 -11.867 14.848 3.308 225 HA ARG 31 HA ARG 31 -9.287 14.235 4.706 226 1HB ARG 31 1HB ARG 31 -10.379 16.371 5.306 227 2HB ARG 31 2HB ARG 31 -11.837 15.494 5.794 228 1HG ARG 31 1HG ARG 31 -10.571 14.340 7.569 229 2HG ARG 31 2HG ARG 31 -9.060 15.093 7.006 230 1HD ARG 31 1HD ARG 31 -9.991 17.332 7.473 231 2HD ARG 31 2HD ARG 31 -11.510 16.591 8.039 232 HE ARG 31 HE ARG 31 -9.449 15.418 9.527 233 1HH1 ARG 31 1HH1 ARG 31 -10.835 18.631 9.066 234 2HH1 ARG 31 2HH1 ARG 31 -10.412 19.208 10.654 235 1HH2 ARG 31 1HH2 ARG 31 -8.893 16.146 11.618 236 2HH2 ARG 31 2HH2 ARG 31 -9.292 17.761 12.136 237 H LEU 32 H LEU 32 -9.459 11.977 4.131 238 HA LEU 32 HA LEU 32 -11.870 10.479 4.870 239 1HB LEU 32 1HB LEU 32 -9.095 9.522 4.108 240 2HB LEU 32 2HB LEU 32 -10.542 8.519 4.231 241 HG LEU 32 HG LEU 32 -10.089 10.751 2.198 242 1HD1 LEU 32 1HD1 LEU 32 -8.739 8.704 1.861 243 2HD1 LEU 32 2HD1 LEU 32 -10.208 7.716 1.935 244 3HD1 LEU 32 3HD1 LEU 32 -9.977 8.867 0.600 245 1HD2 LEU 32 1HD2 LEU 32 -12.443 8.841 2.614 246 2HD2 LEU 32 2HD2 LEU 32 -12.484 10.620 2.688 247 3HD2 LEU 32 3HD2 LEU 32 -12.187 9.809 1.150 248 H THR 33 H THR 33 -12.139 9.176 6.657 249 HA THR 33 HA THR 33 -10.243 9.595 8.930 250 HB THR 33 HB THR 33 -13.112 8.584 8.908 251 HG1 THR 33 HG1 THR 33 -12.650 10.869 8.345 252 1HG2 THR 33 1HG2 THR 33 -11.813 7.777 10.873 253 2HG2 THR 33 2HG2 THR 33 -11.270 9.439 11.191 254 3HG2 THR 33 3HG2 THR 33 -12.986 9.020 11.342 255 H PHE 34 H PHE 34 -8.647 8.075 8.381 256 HA PHE 34 HA PHE 34 -8.943 5.431 7.504 257 1HB PHE 34 1HB PHE 34 -6.800 6.364 7.710 258 2HB PHE 34 2HB PHE 34 -6.975 6.676 9.442 259 HD1 PHE 34 HD1 PHE 34 -5.909 4.289 6.899 260 HD2 PHE 34 HD2 PHE 34 -6.986 4.712 11.064 261 HE1 PHE 34 HE1 PHE 34 -4.661 2.229 7.440 262 HE2 PHE 34 HE2 PHE 34 -5.752 2.641 11.585 263 HZ PHE 34 HZ PHE 34 -4.518 1.432 9.786 264 H ASN 35 H ASN 35 -9.588 3.578 8.374 265 HA ASN 35 HA ASN 35 -10.546 3.543 11.216 266 1HB ASN 35 1HB ASN 35 -12.042 3.068 8.965 267 2HB ASN 35 2HB ASN 35 -11.487 1.441 9.308 268 1HD2 ASN 35 1HD2 ASN 35 -12.851 4.300 11.066 269 2HD2 ASN 35 2HD2 ASN 35 -13.898 3.327 12.086 270 H LYS 36 H LYS 36 -9.324 1.320 8.672 271 HA LYS 36 HA LYS 36 -7.052 0.470 10.146 272 1HB LYS 36 1HB LYS 36 -7.698 -1.881 10.608 273 2HB LYS 36 2HB LYS 36 -8.519 -0.732 11.635 274 1HG LYS 36 1HG LYS 36 -10.098 -1.298 9.205 275 2HG LYS 36 2HG LYS 36 -9.674 -2.778 10.078 276 1HD LYS 36 1HD LYS 36 -10.587 -1.848 12.172 277 2HD LYS 36 2HD LYS 36 -10.968 -0.328 11.349 278 1HE LYS 36 1HE LYS 36 -12.494 -1.587 9.799 279 2HE LYS 36 2HE LYS 36 -12.157 -3.071 10.716 280 1HZ LYS 36 1HZ LYS 36 -13.055 -1.959 12.653 281 2HZ LYS 36 2HZ LYS 36 -13.371 -0.609 11.753 282 3HZ LYS 36 3HZ LYS 36 -14.166 -2.019 11.433 283 H VAL 37 H VAL 37 -6.239 -1.742 9.014 284 HA VAL 37 HA VAL 37 -6.932 -1.667 6.129 285 HB VAL 37 HB VAL 37 -4.721 -0.813 6.645 286 1HG1 VAL 37 1HG1 VAL 37 -4.220 -2.114 8.719 287 2HG1 VAL 37 2HG1 VAL 37 -3.987 -3.566 7.723 288 3HG1 VAL 37 3HG1 VAL 37 -2.923 -2.162 7.527 289 1HG2 VAL 37 1HG2 VAL 37 -4.632 -3.529 5.251 290 2HG2 VAL 37 2HG2 VAL 37 -5.076 -1.977 4.507 291 3HG2 VAL 37 3HG2 VAL 37 -3.428 -2.243 5.108 292 H ILE 38 H ILE 38 -7.258 -3.625 5.119 293 HA ILE 38 HA ILE 38 -6.977 -6.098 6.667 294 HB ILE 38 HB ILE 38 -9.244 -6.895 6.152 295 1HG1 ILE 38 1HG1 ILE 38 -11.046 -5.136 5.921 296 2HG1 ILE 38 2HG1 ILE 38 -9.814 -3.988 5.384 297 1HG2 ILE 38 1HG2 ILE 38 -8.580 -6.021 8.383 298 2HG2 ILE 38 2HG2 ILE 38 -9.261 -4.442 7.932 299 3HG2 ILE 38 3HG2 ILE 38 -10.306 -5.867 8.033 300 1HD1 ILE 38 1HD1 ILE 38 -9.397 -5.334 3.398 301 2HD1 ILE 38 2HD1 ILE 38 -10.336 -6.697 4.066 302 3HD1 ILE 38 3HD1 ILE 38 -11.153 -5.206 3.595 303 H ARG 39 H ARG 39 -7.590 -8.006 5.125 304 HA ARG 39 HA ARG 39 -5.697 -7.720 3.020 305 1HB ARG 39 1HB ARG 39 -6.310 -10.120 2.524 306 2HB ARG 39 2HB ARG 39 -5.619 -9.773 4.095 307 1HG ARG 39 1HG ARG 39 -8.647 -9.902 3.795 308 2HG ARG 39 2HG ARG 39 -7.689 -11.373 3.735 309 1HD ARG 39 1HD ARG 39 -6.614 -10.375 6.017 310 2HD ARG 39 2HD ARG 39 -8.180 -9.569 6.088 311 HE ARG 39 HE ARG 39 -9.195 -11.520 6.590 312 1HH1 ARG 39 1HH1 ARG 39 -6.052 -12.272 5.173 313 2HH1 ARG 39 2HH1 ARG 39 -6.097 -13.963 5.597 314 1HH2 ARG 39 1HH2 ARG 39 -9.287 -13.731 7.137 315 2HH2 ARG 39 2HH2 ARG 39 -7.984 -14.807 6.716 316 HA PRO 40 HA PRO 40 -5.329 -9.042 0.832 317 1HB PRO 40 1HB PRO 40 -4.763 -8.024 -1.631 318 2HB PRO 40 2HB PRO 40 -5.892 -9.386 -1.366 319 1HG PRO 40 1HG PRO 40 -6.559 -6.467 -1.672 320 2HG PRO 40 2HG PRO 40 -7.300 -7.835 -2.554 321 1HD PRO 40 1HD PRO 40 -8.510 -6.776 -0.353 322 2HD PRO 40 2HD PRO 40 -8.498 -8.539 -0.606 323 H CYS 41 H CYS 41 -3.101 -8.146 0.474 324 HA CYS 41 HA CYS 41 -2.313 -5.560 1.127 325 1HB CYS 41 1HB CYS 41 -1.832 -5.957 3.442 326 2HB CYS 41 2HB CYS 41 -3.585 -5.807 3.147 327 HG CYS 41 HG CYS 41 -1.724 -8.446 3.821 328 H MET 42 H MET 42 -1.064 -6.374 -0.587 329 HA MET 42 HA MET 42 0.673 -8.715 0.054 330 1HB MET 42 1HB MET 42 -1.394 -8.814 -1.622 331 2HB MET 42 2HB MET 42 -0.278 -8.032 -2.736 332 1HG MET 42 1HG MET 42 1.284 -9.980 -2.402 333 2HG MET 42 2HG MET 42 0.141 -10.637 -1.224 334 1HE MET 42 1HE MET 42 1.262 -12.398 -3.570 335 2HE MET 42 2HE MET 42 0.116 -12.983 -2.337 336 3HE MET 42 3HE MET 42 -0.223 -13.238 -4.064 337 H LYS 43 H LYS 43 2.825 -8.531 -0.314 338 HA LYS 43 HA LYS 43 3.682 -5.790 -1.267 339 1HB LYS 43 1HB LYS 43 5.584 -5.892 0.001 340 2HB LYS 43 2HB LYS 43 4.340 -6.552 1.072 341 1HG LYS 43 1HG LYS 43 5.223 -8.861 0.454 342 2HG LYS 43 2HG LYS 43 6.476 -8.065 -0.524 343 1HD LYS 43 1HD LYS 43 7.264 -6.809 1.469 344 2HD LYS 43 2HD LYS 43 6.125 -7.716 2.477 345 1HE LYS 43 1HE LYS 43 7.234 -9.840 1.825 346 2HE LYS 43 2HE LYS 43 8.355 -8.939 0.783 347 1HZ LYS 43 1HZ LYS 43 9.148 -7.799 2.721 348 2HZ LYS 43 2HZ LYS 43 8.118 -8.641 3.693 349 3HZ LYS 43 3HZ LYS 43 9.324 -9.428 2.892 350 H LYS 44 H LYS 44 5.055 -5.519 -3.028 351 HA LYS 44 HA LYS 44 6.274 -7.961 -4.175 352 1HB LYS 44 1HB LYS 44 4.092 -7.346 -5.311 353 2HB LYS 44 2HB LYS 44 4.884 -5.890 -5.913 354 1HG LYS 44 1HG LYS 44 6.467 -7.214 -7.179 355 2HG LYS 44 2HG LYS 44 5.980 -8.711 -6.351 356 1HD LYS 44 1HD LYS 44 3.728 -8.578 -7.325 357 2HD LYS 44 2HD LYS 44 4.152 -7.084 -8.173 358 1HE LYS 44 1HE LYS 44 5.498 -9.805 -8.565 359 2HE LYS 44 2HE LYS 44 4.263 -9.111 -9.626 360 1HZ LYS 44 1HZ LYS 44 5.746 -7.295 -10.080 361 2HZ LYS 44 2HZ LYS 44 6.911 -7.950 -9.117 362 3HZ LYS 44 3HZ LYS 44 6.436 -8.736 -10.485 363 H THR 45 H THR 45 8.247 -7.675 -5.203 364 HA THR 45 HA THR 45 9.713 -5.237 -4.580 365 HB THR 45 HB THR 45 10.521 -7.612 -6.300 366 HG1 THR 45 HG1 THR 45 11.520 -8.287 -4.359 367 1HG2 THR 45 1HG2 THR 45 11.996 -5.653 -6.675 368 2HG2 THR 45 2HG2 THR 45 12.170 -5.432 -4.928 369 3HG2 THR 45 3HG2 THR 45 12.838 -6.882 -5.719 370 H ILE 46 H ILE 46 10.300 -3.596 -5.932 371 HA ILE 46 HA ILE 46 9.268 -3.637 -8.712 372 HB ILE 46 HB ILE 46 8.614 -1.852 -6.622 373 1HG1 ILE 46 1HG1 ILE 46 7.210 -0.813 -8.370 374 2HG1 ILE 46 2HG1 ILE 46 8.015 -1.788 -9.602 375 1HG2 ILE 46 1HG2 ILE 46 10.592 -0.485 -7.120 376 2HG2 ILE 46 2HG2 ILE 46 10.126 -0.419 -8.841 377 3HG2 ILE 46 3HG2 ILE 46 9.110 0.335 -7.598 378 1HD1 ILE 46 1HD1 ILE 46 6.524 -2.959 -7.198 379 2HD1 ILE 46 2HD1 ILE 46 5.792 -2.688 -8.794 380 3HD1 ILE 46 3HD1 ILE 46 7.099 -3.850 -8.621 381 H TYR 47 H TYR 47 10.685 -3.514 -10.261 382 HA TYR 47 HA TYR 47 13.362 -2.404 -9.748 383 1HB TYR 47 1HB TYR 47 14.358 -4.402 -10.863 384 2HB TYR 47 2HB TYR 47 13.606 -4.746 -9.315 385 HD1 TYR 47 HD1 TYR 47 11.907 -6.411 -9.132 386 HD2 TYR 47 HD2 TYR 47 13.227 -5.056 -13.007 387 HE1 TYR 47 HE1 TYR 47 11.052 -8.479 -10.140 388 HE2 TYR 47 HE2 TYR 47 12.392 -7.140 -14.021 389 HH TYR 47 HH TYR 47 10.736 -9.676 -12.105 390 H GLU 48 H GLU 48 14.447 -1.744 -11.606 391 HA GLU 48 HA GLU 48 13.625 -2.094 -14.238 392 1HB GLU 48 1HB GLU 48 11.841 -0.318 -13.071 393 2HB GLU 48 2HB GLU 48 13.079 0.786 -13.652 394 1HG GLU 48 1HG GLU 48 12.832 -0.336 -15.943 395 2HG GLU 48 2HG GLU 48 11.515 -1.298 -15.257 396 H ASN 49 H ASN 49 14.811 -0.468 -15.568 397 HA ASN 49 HA ASN 49 16.813 1.261 -14.264 398 1HB ASN 49 1HB ASN 49 18.092 -0.814 -14.478 399 2HB ASN 49 2HB ASN 49 17.650 -0.980 -16.171 400 1HD2 ASN 49 1HD2 ASN 49 19.419 1.150 -13.880 401 2HD2 ASN 49 2HD2 ASN 49 20.485 1.805 -15.110 402 H GLU 50 H GLU 50 16.097 -0.137 -17.487 403 HA GLU 50 HA GLU 50 14.978 2.206 -18.660 404 1HB GLU 50 1HB GLU 50 17.333 3.064 -18.358 405 2HB GLU 50 2HB GLU 50 17.930 1.670 -19.267 406 1HG GLU 50 1HG GLU 50 17.867 3.655 -20.677 407 2HG GLU 50 2HG GLU 50 16.666 2.510 -21.277 408 H GLY 51 H GLY 51 13.634 0.299 -19.114 409 1HA GLY 51 1HA GLY 51 12.930 -1.466 -20.463 410 2HA GLY 51 2HA GLY 51 14.411 -1.349 -21.428 411 H PHE 52 H PHE 52 16.426 -1.772 -19.977 412 HA PHE 52 HA PHE 52 16.509 -4.385 -18.827 413 1HB PHE 52 1HB PHE 52 18.332 -1.950 -18.481 414 2HB PHE 52 2HB PHE 52 18.717 -3.550 -17.895 415 HD1 PHE 52 HD1 PHE 52 19.056 -5.474 -19.480 416 HD2 PHE 52 HD2 PHE 52 18.635 -1.397 -20.850 417 HE1 PHE 52 HE1 PHE 52 20.037 -6.097 -21.670 418 HE2 PHE 52 HE2 PHE 52 19.596 -2.036 -23.038 419 HZ PHE 52 HZ PHE 52 20.306 -4.385 -23.450 420 H ARG 53 H ARG 53 17.233 -4.754 -16.577 421 HA ARG 53 HA ARG 53 15.259 -3.558 -14.677 422 1HB ARG 53 1HB ARG 53 15.470 -5.770 -13.543 423 2HB ARG 53 2HB ARG 53 14.876 -5.901 -15.194 424 1HG ARG 53 1HG ARG 53 17.034 -6.676 -16.024 425 2HG ARG 53 2HG ARG 53 17.793 -6.314 -14.469 426 1HD ARG 53 1HD ARG 53 16.354 -8.018 -13.367 427 2HD ARG 53 2HD ARG 53 15.728 -8.481 -14.956 428 HE ARG 53 HE ARG 53 18.320 -9.070 -13.761 429 1HH1 ARG 53 1HH1 ARG 53 16.645 -8.765 -16.859 430 2HH1 ARG 53 2HH1 ARG 53 17.852 -9.635 -17.764 431 1HH2 ARG 53 1HH2 ARG 53 19.924 -10.171 -14.931 432 2HH2 ARG 53 2HH2 ARG 53 19.754 -10.449 -16.642 433 H GLU 54 H GLU 54 15.861 -3.388 -12.449 434 HA GLU 54 HA GLU 54 18.249 -4.237 -11.329 435 1HB GLU 54 1HB GLU 54 18.835 -1.885 -12.639 436 2HB GLU 54 2HB GLU 54 18.236 -1.218 -11.139 437 1HG GLU 54 1HG GLU 54 20.475 -3.279 -11.480 438 2HG GLU 54 2HG GLU 54 20.697 -1.551 -11.179 439 H ILE 55 H ILE 55 17.860 -4.199 -8.983 440 HA ILE 55 HA ILE 55 15.125 -3.769 -8.188 441 HB ILE 55 HB ILE 55 17.658 -4.238 -6.582 442 1HG1 ILE 55 1HG1 ILE 55 15.375 -6.143 -7.305 443 2HG1 ILE 55 2HG1 ILE 55 16.900 -6.059 -8.198 444 1HG2 ILE 55 1HG2 ILE 55 15.950 -3.136 -5.167 445 2HG2 ILE 55 2HG2 ILE 55 14.737 -4.315 -5.693 446 3HG2 ILE 55 3HG2 ILE 55 16.119 -4.825 -4.704 447 1HD1 ILE 55 1HD1 ILE 55 18.153 -6.629 -6.124 448 2HD1 ILE 55 2HD1 ILE 55 16.601 -6.903 -5.297 449 3HD1 ILE 55 3HD1 ILE 55 17.045 -7.896 -6.689 450 H LYS 56 H LYS 56 14.127 -1.924 -7.592 451 HA LYS 56 HA LYS 56 15.830 0.434 -6.819 452 1HB LYS 56 1HB LYS 56 13.397 0.310 -8.633 453 2HB LYS 56 2HB LYS 56 14.023 1.800 -7.897 454 1HG LYS 56 1HG LYS 56 16.223 1.448 -8.960 455 2HG LYS 56 2HG LYS 56 15.671 -0.072 -9.655 456 1HD LYS 56 1HD LYS 56 15.645 1.624 -11.343 457 2HD LYS 56 2HD LYS 56 13.984 1.110 -11.010 458 1HE LYS 56 1HE LYS 56 13.590 3.164 -9.701 459 2HE LYS 56 2HE LYS 56 15.302 3.614 -9.839 460 1HZ LYS 56 1HZ LYS 56 14.998 3.797 -12.196 461 2HZ LYS 56 2HZ LYS 56 13.409 3.377 -12.071 462 3HZ LYS 56 3HZ LYS 56 13.945 4.782 -11.398 463 H GLY 57 H GLY 57 12.759 -1.391 -6.216 464 1HA GLY 57 1HA GLY 57 12.677 -0.318 -3.519 465 2HA GLY 57 2HA GLY 57 11.539 0.483 -4.629 466 H TYR 58 H TYR 58 9.928 -0.418 -3.145 467 HA TYR 58 HA TYR 58 9.000 -3.056 -4.130 468 1HB TYR 58 1HB TYR 58 8.662 -2.195 -1.251 469 2HB TYR 58 2HB TYR 58 8.339 -3.762 -1.959 470 HD1 TYR 58 HD1 TYR 58 10.859 -1.579 -0.483 471 HD2 TYR 58 HD2 TYR 58 10.251 -5.348 -2.463 472 HE1 TYR 58 HE1 TYR 58 13.220 -2.167 -0.066 473 HE2 TYR 58 HE2 TYR 58 12.643 -5.905 -2.138 474 HH TYR 58 HH TYR 58 14.910 -3.712 -0.449 475 H GLU 59 H GLU 59 6.676 -3.263 -3.734 476 HA GLU 59 HA GLU 59 5.168 -0.729 -3.398 477 1HB GLU 59 1HB GLU 59 4.718 -2.833 -5.541 478 2HB GLU 59 2HB GLU 59 3.445 -1.757 -4.969 479 1HG GLU 59 1HG GLU 59 4.789 0.221 -5.529 480 2HG GLU 59 2HG GLU 59 6.081 -0.810 -6.165 481 H TYR 60 H TYR 60 3.333 -0.949 -2.202 482 HA TYR 60 HA TYR 60 2.732 -3.591 -0.953 483 1HB TYR 60 1HB TYR 60 2.512 -0.907 0.423 484 2HB TYR 60 2HB TYR 60 2.414 -2.511 1.134 485 HD1 TYR 60 HD1 TYR 60 4.250 0.158 1.612 486 HD2 TYR 60 HD2 TYR 60 4.862 -3.813 0.070 487 HE1 TYR 60 HE1 TYR 60 6.612 0.251 2.315 488 HE2 TYR 60 HE2 TYR 60 7.269 -3.675 0.668 489 HH TYR 60 HH TYR 60 8.662 -0.835 2.322 490 H GLN 61 H GLN 61 0.798 -4.110 -1.781 491 HA GLN 61 HA GLN 61 -1.167 -1.967 -2.539 492 1HB GLN 61 1HB GLN 61 -0.397 -3.310 -4.377 493 2HB GLN 61 2HB GLN 61 -0.707 -4.818 -3.516 494 1HG GLN 61 1HG GLN 61 -2.921 -2.813 -4.093 495 2HG GLN 61 2HG GLN 61 -2.403 -3.980 -5.313 496 1HE2 GLN 61 1HE2 GLN 61 -2.203 -6.371 -4.383 497 2HE2 GLN 61 2HE2 GLN 61 -3.616 -6.869 -3.469 498 H LEU 62 H LEU 62 -2.654 -1.696 -0.837 499 HA LEU 62 HA LEU 62 -3.652 -4.103 0.529 500 1HB LEU 62 1HB LEU 62 -3.398 -2.712 2.725 501 2HB LEU 62 2HB LEU 62 -2.037 -3.658 2.173 502 HG LEU 62 HG LEU 62 -2.075 -0.840 1.177 503 1HD1 LEU 62 1HD1 LEU 62 -2.810 -0.492 3.497 504 2HD1 LEU 62 2HD1 LEU 62 -1.460 -1.493 4.086 505 3HD1 LEU 62 3HD1 LEU 62 -1.139 0.042 3.261 506 1HD2 LEU 62 1HD2 LEU 62 0.075 -2.554 2.525 507 2HD2 LEU 62 2HD2 LEU 62 -0.248 -2.591 0.790 508 3HD2 LEU 62 3HD2 LEU 62 0.324 -1.096 1.550 509 H TYR 63 H TYR 63 -5.665 -4.067 1.338 510 HA TYR 63 HA TYR 63 -7.333 -1.871 0.358 511 1HB TYR 63 1HB TYR 63 -7.746 -4.690 1.275 512 2HB TYR 63 2HB TYR 63 -9.057 -3.543 1.383 513 HD1 TYR 63 HD1 TYR 63 -10.602 -4.158 -0.276 514 HD2 TYR 63 HD2 TYR 63 -6.425 -3.910 -1.312 515 HE1 TYR 63 HE1 TYR 63 -11.171 -4.509 -2.645 516 HE2 TYR 63 HE2 TYR 63 -6.992 -4.365 -3.660 517 HH TYR 63 HH TYR 63 -8.677 -4.723 -5.195 518 H VAL 64 H VAL 64 -7.307 -0.126 1.579 519 HA VAL 64 HA VAL 64 -7.202 -0.245 4.531 520 HB VAL 64 HB VAL 64 -6.966 2.082 2.596 521 1HG1 VAL 64 1HG1 VAL 64 -7.841 2.866 4.751 522 2HG1 VAL 64 2HG1 VAL 64 -6.635 1.900 5.629 523 3HG1 VAL 64 3HG1 VAL 64 -6.125 3.280 4.639 524 1HG2 VAL 64 1HG2 VAL 64 -4.868 0.617 4.261 525 2HG2 VAL 64 2HG2 VAL 64 -5.020 0.539 2.491 526 3HG2 VAL 64 3HG2 VAL 64 -4.581 2.063 3.275 527 H TYR 65 H TYR 65 -8.987 0.016 5.717 528 HA TYR 65 HA TYR 65 -11.546 0.860 4.523 529 1HB TYR 65 1HB TYR 65 -10.700 -0.814 6.791 530 2HB TYR 65 2HB TYR 65 -11.815 0.433 7.303 531 HD1 TYR 65 HD1 TYR 65 -13.772 0.763 5.251 532 HD2 TYR 65 HD2 TYR 65 -11.916 -2.833 6.741 533 HE1 TYR 65 HE1 TYR 65 -15.756 -0.551 4.562 534 HE2 TYR 65 HE2 TYR 65 -13.918 -4.133 6.069 535 HH TYR 65 HH TYR 65 -16.799 -2.588 4.642 536 H ALA 66 H ALA 66 -11.945 2.993 4.512 537 HA ALA 66 HA ALA 66 -11.140 4.652 6.847 538 1HB ALA 66 1HB ALA 66 -9.547 5.113 4.999 539 2HB ALA 66 2HB ALA 66 -10.916 5.482 3.925 540 3HB ALA 66 3HB ALA 66 -10.601 6.496 5.353 541 H SER 67 H SER 67 -12.852 5.729 7.635 542 HA SER 67 HA SER 67 -15.056 6.183 8.014 543 1HB SER 67 1HB SER 67 -14.176 7.908 6.235 544 2HB SER 67 2HB SER 67 -15.264 7.068 5.121 545 HG SER 67 HG SER 67 -15.968 8.278 7.616 546 H ASP 68 H ASP 68 -14.652 3.511 7.424 547 HA ASP 68 HA ASP 68 -15.577 1.585 6.819 548 1HB ASP 68 1HB ASP 68 -17.363 2.501 8.308 549 2HB ASP 68 2HB ASP 68 -18.227 3.069 6.867 550 H LYS 69 H LYS 69 -14.805 3.486 4.560 551 HA LYS 69 HA LYS 69 -16.144 1.941 2.375 552 1HB LYS 69 1HB LYS 69 -15.072 4.773 2.498 553 2HB LYS 69 2HB LYS 69 -14.893 3.818 1.023 554 1HG LYS 69 1HG LYS 69 -16.862 5.212 0.894 555 2HG LYS 69 2HG LYS 69 -17.260 3.490 0.788 556 1HD LYS 69 1HD LYS 69 -18.044 3.484 3.111 557 2HD LYS 69 2HD LYS 69 -17.523 5.166 3.328 558 1HE LYS 69 1HE LYS 69 -19.161 5.898 1.625 559 2HE LYS 69 2HE LYS 69 -19.617 4.211 1.312 560 1HZ LYS 69 1HZ LYS 69 -20.385 4.056 3.557 561 2HZ LYS 69 2HZ LYS 69 -19.958 5.617 3.863 562 3HZ LYS 69 3HZ LYS 69 -21.150 5.287 2.772 563 H LEU 70 H LEU 70 -14.767 0.660 1.212 564 HA LEU 70 HA LEU 70 -12.067 0.315 2.355 565 1HB LEU 70 1HB LEU 70 -13.785 -1.501 2.408 566 2HB LEU 70 2HB LEU 70 -13.796 -1.501 0.650 567 HG LEU 70 HG LEU 70 -11.360 -2.155 0.689 568 1HD1 LEU 70 1HD1 LEU 70 -10.631 -1.292 2.842 569 2HD1 LEU 70 2HD1 LEU 70 -11.876 -2.231 3.692 570 3HD1 LEU 70 3HD1 LEU 70 -10.509 -3.042 2.933 571 1HD2 LEU 70 1HD2 LEU 70 -13.328 -3.887 2.264 572 2HD2 LEU 70 2HD2 LEU 70 -13.121 -3.843 0.497 573 3HD2 LEU 70 3HD2 LEU 70 -11.835 -4.490 1.527 574 H PHE 71 H PHE 71 -10.300 0.895 1.148 575 HA PHE 71 HA PHE 71 -10.589 1.322 -1.807 576 1HB PHE 71 1HB PHE 71 -9.522 3.132 0.367 577 2HB PHE 71 2HB PHE 71 -8.862 3.213 -1.254 578 HD1 PHE 71 HD1 PHE 71 -9.863 4.472 -2.947 579 HD2 PHE 71 HD2 PHE 71 -12.022 3.673 0.697 580 HE1 PHE 71 HE1 PHE 71 -11.543 6.158 -3.589 581 HE2 PHE 71 HE2 PHE 71 -13.624 5.488 0.116 582 HZ PHE 71 HZ PHE 71 -13.412 6.701 -2.037 583 H ARG 72 H ARG 72 -8.772 0.826 -2.996 584 HA ARG 72 HA ARG 72 -6.734 -0.893 -1.725 585 1HB ARG 72 1HB ARG 72 -7.830 -1.557 -3.856 586 2HB ARG 72 2HB ARG 72 -7.150 -0.123 -4.637 587 1HG ARG 72 1HG ARG 72 -4.829 -0.965 -3.993 588 2HG ARG 72 2HG ARG 72 -5.609 -2.393 -3.311 589 1HD ARG 72 1HD ARG 72 -4.891 -3.025 -5.469 590 2HD ARG 72 2HD ARG 72 -6.635 -2.767 -5.656 591 HE ARG 72 HE ARG 72 -5.521 -0.306 -6.239 592 1HH1 ARG 72 1HH1 ARG 72 -5.072 -3.576 -7.513 593 2HH1 ARG 72 2HH1 ARG 72 -4.509 -3.042 -9.072 594 1HH2 ARG 72 1HH2 ARG 72 -4.898 0.398 -8.282 595 2HH2 ARG 72 2HH2 ARG 72 -4.399 -0.732 -9.525 596 H ALA 73 H ALA 73 -5.141 0.234 -0.753 597 HA ALA 73 HA ALA 73 -4.111 2.793 -1.853 598 1HB ALA 73 1HB ALA 73 -4.600 2.606 0.597 599 2HB ALA 73 2HB ALA 73 -3.401 1.303 0.704 600 3HB ALA 73 3HB ALA 73 -2.898 2.943 0.225 601 H ASP 74 H ASP 74 -2.388 2.660 -3.189 602 HA ASP 74 HA ASP 74 -0.557 0.291 -3.038 603 1HB ASP 74 1HB ASP 74 -1.598 0.351 -5.170 604 2HB ASP 74 2HB ASP 74 -1.247 2.082 -5.373 605 H ILE 75 H ILE 75 1.036 0.856 -1.828 606 HA ILE 75 HA ILE 75 2.164 3.638 -1.831 607 HB ILE 75 HB ILE 75 2.383 1.425 0.264 608 1HG1 ILE 75 1HG1 ILE 75 1.222 3.453 1.601 609 2HG1 ILE 75 2HG1 ILE 75 0.560 3.816 0.006 610 1HG2 ILE 75 1HG2 ILE 75 4.410 2.773 0.262 611 2HG2 ILE 75 2HG2 ILE 75 3.446 4.271 0.307 612 3HG2 ILE 75 3HG2 ILE 75 3.449 3.150 1.680 613 1HD1 ILE 75 1HD1 ILE 75 -0.374 1.469 -0.065 614 2HD1 ILE 75 2HD1 ILE 75 0.390 1.166 1.513 615 3HD1 ILE 75 3HD1 ILE 75 -0.917 2.345 1.372 616 H SER 76 H SER 76 4.518 3.742 -2.012 617 HA SER 76 HA SER 76 5.837 1.182 -2.753 618 1HB SER 76 1HB SER 76 5.399 2.473 -4.822 619 2HB SER 76 2HB SER 76 6.260 3.860 -4.128 620 HG SER 76 HG SER 76 7.435 1.278 -4.435 621 H GLU 77 H GLU 77 8.039 1.106 -2.244 622 HA GLU 77 HA GLU 77 9.049 3.147 -0.337 623 1HB GLU 77 1HB GLU 77 8.303 1.162 0.874 624 2HB GLU 77 2HB GLU 77 9.378 0.134 -0.076 625 1HG GLU 77 1HG GLU 77 10.581 2.501 1.392 626 2HG GLU 77 2HG GLU 77 10.004 1.146 2.354 627 H ASP 78 H ASP 78 11.046 3.906 -0.896 628 HA ASP 78 HA ASP 78 12.269 2.807 -3.350 629 1HB ASP 78 1HB ASP 78 13.190 4.854 -3.665 630 2HB ASP 78 2HB ASP 78 11.686 5.310 -2.872 631 H TYR 79 H TYR 79 14.090 1.473 -3.222 632 HA TYR 79 HA TYR 79 14.887 0.641 -0.616 633 1HB TYR 79 1HB TYR 79 14.903 -0.842 -2.571 634 2HB TYR 79 2HB TYR 79 16.186 0.120 -3.311 635 HD1 TYR 79 HD1 TYR 79 15.534 -1.483 0.060 636 HD2 TYR 79 HD2 TYR 79 18.329 -0.845 -3.164 637 HE1 TYR 79 HE1 TYR 79 17.252 -2.778 1.287 638 HE2 TYR 79 HE2 TYR 79 20.043 -2.119 -1.926 639 HH TYR 79 HH TYR 79 20.549 -3.269 0.010 640 H LYS 80 H LYS 80 16.190 3.105 -2.757 641 HA LYS 80 HA LYS 80 18.817 3.272 -1.733 642 1HB LYS 80 1HB LYS 80 16.895 5.032 -3.252 643 2HB LYS 80 2HB LYS 80 18.262 5.841 -2.530 644 1HG LYS 80 1HG LYS 80 18.906 3.341 -4.072 645 2HG LYS 80 2HG LYS 80 18.262 4.696 -4.992 646 1HD LYS 80 1HD LYS 80 20.646 4.795 -5.045 647 2HD LYS 80 2HD LYS 80 20.025 6.202 -4.190 648 1HE LYS 80 1HE LYS 80 21.102 3.713 -2.763 649 2HE LYS 80 2HE LYS 80 22.121 5.069 -3.263 650 1HZ LYS 80 1HZ LYS 80 20.759 6.521 -1.928 651 2HZ LYS 80 2HZ LYS 80 19.916 5.228 -1.348 652 3HZ LYS 80 3HZ LYS 80 21.521 5.361 -1.042 653 H THR 81 H THR 81 15.969 5.235 -0.910 654 HA THR 81 HA THR 81 17.426 6.320 1.428 655 HB THR 81 HB THR 81 14.673 7.229 0.625 656 HG1 THR 81 HG1 THR 81 15.691 7.191 -1.337 657 1HG2 THR 81 1HG2 THR 81 15.813 8.259 2.578 658 2HG2 THR 81 2HG2 THR 81 17.185 8.697 1.534 659 3HG2 THR 81 3HG2 THR 81 15.589 9.417 1.253 660 H ARG 82 H ARG 82 15.132 3.831 0.738 661 HA ARG 82 HA ARG 82 13.662 2.648 1.923 662 1HB ARG 82 1HB ARG 82 15.487 3.341 4.246 663 2HB ARG 82 2HB ARG 82 14.270 2.052 4.203 664 1HG ARG 82 1HG ARG 82 15.389 0.929 2.360 665 2HG ARG 82 2HG ARG 82 16.561 2.236 2.217 666 1HD ARG 82 1HD ARG 82 16.248 0.405 4.628 667 2HD ARG 82 2HD ARG 82 17.502 0.256 3.395 668 HE ARG 82 HE ARG 82 17.471 2.026 5.655 669 1HH1 ARG 82 1HH1 ARG 82 18.539 1.905 2.279 670 2HH1 ARG 82 2HH1 ARG 82 19.764 3.118 2.475 671 1HH2 ARG 82 1HH2 ARG 82 19.145 3.523 5.954 672 2HH2 ARG 82 2HH2 ARG 82 20.183 3.981 4.632 673 H GLY 83 H GLY 83 12.792 5.139 1.287 674 1HA GLY 83 1HA GLY 83 11.016 5.885 3.583 675 2HA GLY 83 2HA GLY 83 11.593 7.030 2.355 676 H ARG 84 H ARG 84 8.762 6.414 2.812 677 HA ARG 84 HA ARG 84 8.112 4.876 0.380 678 1HB ARG 84 1HB ARG 84 6.312 5.308 2.750 679 2HB ARG 84 2HB ARG 84 6.101 4.165 1.432 680 1HG ARG 84 1HG ARG 84 6.846 2.677 2.948 681 2HG ARG 84 2HG ARG 84 8.441 3.234 2.409 682 1HD ARG 84 1HD ARG 84 8.379 4.902 4.351 683 2HD ARG 84 2HD ARG 84 6.843 4.157 4.839 684 HE ARG 84 HE ARG 84 8.952 2.206 4.533 685 1HH1 ARG 84 1HH1 ARG 84 7.752 4.711 6.716 686 2HH1 ARG 84 2HH1 ARG 84 8.493 4.033 8.137 687 1HH2 ARG 84 1HH2 ARG 84 9.966 1.327 6.377 688 2HH2 ARG 84 2HH2 ARG 84 9.780 2.078 7.937 689 H LYS 85 H LYS 85 6.064 5.411 -0.569 690 HA LYS 85 HA LYS 85 4.857 7.968 -0.082 691 1HB LYS 85 1HB LYS 85 5.305 9.037 -2.204 692 2HB LYS 85 2HB LYS 85 6.795 8.718 -1.329 693 1HG LYS 85 1HG LYS 85 7.394 8.207 -3.455 694 2HG LYS 85 2HG LYS 85 7.046 6.598 -2.815 695 1HD LYS 85 1HD LYS 85 4.999 6.456 -4.097 696 2HD LYS 85 2HD LYS 85 4.915 8.209 -4.297 697 1HE LYS 85 1HE LYS 85 5.564 7.215 -6.399 698 2HE LYS 85 2HE LYS 85 6.904 8.170 -5.767 699 1HZ LYS 85 1HZ LYS 85 7.871 6.110 -4.956 700 2HZ LYS 85 2HZ LYS 85 6.635 5.248 -5.626 701 3HZ LYS 85 3HZ LYS 85 7.664 6.093 -6.590 702 H LEU 86 H LEU 86 2.859 8.259 -1.079 703 HA LEU 86 HA LEU 86 1.450 5.842 -1.747 704 1HB LEU 86 1HB LEU 86 0.486 7.828 -0.570 705 2HB LEU 86 2HB LEU 86 0.719 8.784 -2.037 706 HG LEU 86 HG LEU 86 -0.883 7.252 -3.244 707 1HD1 LEU 86 1HD1 LEU 86 -0.739 5.223 -1.871 708 2HD1 LEU 86 2HD1 LEU 86 -1.226 6.136 -0.430 709 3HD1 LEU 86 3HD1 LEU 86 -2.384 5.862 -1.744 710 1HD2 LEU 86 1HD2 LEU 86 -1.900 8.624 -0.723 711 2HD2 LEU 86 2HD2 LEU 86 -1.595 9.406 -2.287 712 3HD2 LEU 86 3HD2 LEU 86 -2.885 8.202 -2.143 713 H LEU 87 H LEU 87 1.241 4.927 -3.795 714 HA LEU 87 HA LEU 87 2.028 6.516 -6.195 715 1HB LEU 87 1HB LEU 87 1.349 3.594 -5.750 716 2HB LEU 87 2HB LEU 87 1.374 4.316 -7.359 717 HG LEU 87 HG LEU 87 3.783 4.404 -5.514 718 1HD1 LEU 87 1HD1 LEU 87 3.216 2.063 -5.967 719 2HD1 LEU 87 2HD1 LEU 87 3.002 2.410 -7.697 720 3HD1 LEU 87 3HD1 LEU 87 4.612 2.516 -6.966 721 1HD2 LEU 87 1HD2 LEU 87 3.460 4.756 -8.541 722 2HD2 LEU 87 2HD2 LEU 87 3.782 6.071 -7.400 723 3HD2 LEU 87 3HD2 LEU 87 4.991 4.806 -7.651 724 H ARG 88 H ARG 88 -0.791 4.690 -4.803 725 HA ARG 88 HA ARG 88 -2.523 6.814 -5.627 726 1HB ARG 88 1HB ARG 88 -3.939 5.669 -7.193 727 2HB ARG 88 2HB ARG 88 -2.327 5.788 -7.865 728 1HG ARG 88 1HG ARG 88 -3.224 3.246 -6.432 729 2HG ARG 88 2HG ARG 88 -3.742 3.617 -8.070 730 1HD ARG 88 1HD ARG 88 -0.822 3.483 -7.277 731 2HD ARG 88 2HD ARG 88 -1.710 2.129 -7.949 732 HE ARG 88 HE ARG 88 -0.678 4.444 -9.348 733 1HH1 ARG 88 1HH1 ARG 88 -3.249 2.025 -9.427 734 2HH1 ARG 88 2HH1 ARG 88 -3.443 2.071 -11.161 735 1HH2 ARG 88 1HH2 ARG 88 -0.934 4.541 -11.607 736 2HH2 ARG 88 2HH2 ARG 88 -2.111 3.548 -12.420 737 H PHE 89 H PHE 89 -4.832 6.286 -5.221 738 HA PHE 89 HA PHE 89 -5.290 4.206 -3.149 739 1HB PHE 89 1HB PHE 89 -4.797 6.475 -2.145 740 2HB PHE 89 2HB PHE 89 -6.203 7.099 -2.986 741 HD1 PHE 89 HD1 PHE 89 -8.437 6.692 -2.104 742 HD2 PHE 89 HD2 PHE 89 -4.989 4.822 -0.321 743 HE1 PHE 89 HE1 PHE 89 -9.714 6.317 -0.024 744 HE2 PHE 89 HE2 PHE 89 -6.289 4.399 1.750 745 HZ PHE 89 HZ PHE 89 -8.638 5.204 1.925 746 H ASN 90 H ASN 90 -6.389 2.949 -4.747 747 HA ASN 90 HA ASN 90 -8.398 4.309 -6.477 748 1HB ASN 90 1HB ASN 90 -7.572 1.397 -6.405 749 2HB ASN 90 2HB ASN 90 -8.574 2.174 -7.613 750 1HD2 ASN 90 1HD2 ASN 90 -7.383 4.300 -8.599 751 2HD2 ASN 90 2HD2 ASN 90 -5.759 3.943 -9.148 752 H GLY 91 H GLY 91 -10.615 3.797 -6.348 753 1HA GLY 91 1HA GLY 91 -11.996 1.798 -5.448 754 2HA GLY 91 2HA GLY 91 -11.510 2.447 -3.871 755 HA PRO 92 HA PRO 92 -13.279 2.424 -2.552 756 1HB PRO 92 1HB PRO 92 -15.936 1.829 -2.242 757 2HB PRO 92 2HB PRO 92 -15.154 3.317 -1.642 758 1HG PRO 92 1HG PRO 92 -16.687 2.947 -4.233 759 2HG PRO 92 2HG PRO 92 -16.907 4.245 -3.021 760 1HD PRO 92 1HD PRO 92 -15.396 4.621 -5.261 761 2HD PRO 92 2HD PRO 92 -14.873 5.307 -3.698 762 H VAL 93 H VAL 93 -13.304 0.156 -2.447 763 HA VAL 93 HA VAL 93 -14.415 -1.382 -4.712 764 HB VAL 93 HB VAL 93 -12.259 -2.841 -4.448 765 1HG1 VAL 93 1HG1 VAL 93 -12.976 -1.873 -6.541 766 2HG1 VAL 93 2HG1 VAL 93 -12.320 -0.293 -6.094 767 3HG1 VAL 93 3HG1 VAL 93 -11.225 -1.663 -6.351 768 1HG2 VAL 93 1HG2 VAL 93 -11.062 -0.104 -3.819 769 2HG2 VAL 93 2HG2 VAL 93 -11.201 -1.432 -2.647 770 3HG2 VAL 93 3HG2 VAL 93 -10.201 -1.620 -4.099 771 HA PRO 94 HA PRO 94 -15.650 -3.554 -0.973 772 1HB PRO 94 1HB PRO 94 -17.152 -5.567 -2.083 773 2HB PRO 94 2HB PRO 94 -17.690 -3.862 -2.114 774 1HG PRO 94 1HG PRO 94 -16.260 -5.406 -4.295 775 2HG PRO 94 2HG PRO 94 -17.742 -4.417 -4.450 776 1HD PRO 94 1HD PRO 94 -15.224 -3.479 -5.033 777 2HD PRO 94 2HD PRO 94 -16.493 -2.405 -4.368 778 HA PRO 95 HA PRO 95 -12.591 -6.807 -0.834 779 1HB PRO 95 1HB PRO 95 -13.623 -8.699 0.854 780 2HB PRO 95 2HB PRO 95 -13.047 -7.097 1.398 781 1HG PRO 95 1HG PRO 95 -15.897 -7.937 0.809 782 2HG PRO 95 2HG PRO 95 -15.287 -7.051 2.235 783 1HD PRO 95 1HD PRO 95 -16.435 -5.790 0.103 784 2HD PRO 95 2HD PRO 95 -15.095 -5.043 1.003 785 HA PRO 96 HA PRO 96 -14.581 -9.197 -4.151 786 1HB PRO 96 1HB PRO 96 -12.405 -10.315 -5.352 787 2HB PRO 96 2HB PRO 96 -12.786 -8.573 -5.475 788 1HG PRO 96 1HG PRO 96 -10.856 -9.902 -3.552 789 2HG PRO 96 2HG PRO 96 -10.550 -8.487 -4.602 790 1HD PRO 96 1HD PRO 96 -11.249 -8.222 -1.983 791 2HD PRO 96 2HD PRO 96 -11.849 -7.073 -3.217 Start of MODEL 17 1 1H GLY 1 1H GLY 1 10.267 -17.956 -2.025 2 2H GLY 1 2H GLY 1 9.296 -16.726 -1.487 3 3H GLY 1 3H GLY 1 10.876 -16.429 -1.810 4 1HA GLY 1 1HA GLY 1 10.552 -16.856 -4.133 5 2HA GLY 1 2HA GLY 1 8.840 -17.176 -3.779 6 H GLU 2 H GLU 2 8.855 -15.342 -5.538 7 HA GLU 2 HA GLU 2 8.934 -12.659 -4.239 8 1HB GLU 2 1HB GLU 2 10.156 -12.892 -6.395 9 2HB GLU 2 2HB GLU 2 8.634 -13.355 -7.183 10 1HG GLU 2 1HG GLU 2 7.645 -11.155 -6.546 11 2HG GLU 2 2HG GLU 2 9.158 -10.712 -5.737 12 H TRP 3 H TRP 3 7.106 -11.878 -3.694 13 HA TRP 3 HA TRP 3 5.073 -10.763 -4.127 14 1HB TRP 3 1HB TRP 3 5.079 -12.500 -6.386 15 2HB TRP 3 2HB TRP 3 3.543 -12.702 -5.550 16 HD1 TRP 3 HD1 TRP 3 4.533 -11.500 -8.501 17 HE1 TRP 3 HE1 TRP 3 3.198 -9.526 -9.367 18 HE3 TRP 3 HE3 TRP 3 2.623 -9.840 -4.081 19 HZ2 TRP 3 HZ2 TRP 3 1.459 -7.473 -8.295 20 HZ3 TRP 3 HZ3 TRP 3 1.242 -7.758 -4.019 21 HH2 TRP 3 HH2 TRP 3 0.586 -6.629 -6.119 22 H GLU 4 H GLU 4 3.919 -10.878 -2.172 23 HA GLU 4 HA GLU 4 2.474 -13.294 -1.539 24 1HB GLU 4 1HB GLU 4 4.819 -13.892 -0.841 25 2HB GLU 4 2HB GLU 4 4.817 -12.505 0.259 26 1HG GLU 4 1HG GLU 4 4.457 -14.693 1.364 27 2HG GLU 4 2HG GLU 4 3.127 -13.587 1.654 28 H ILE 5 H ILE 5 1.211 -13.094 0.407 29 HA ILE 5 HA ILE 5 0.083 -10.505 0.848 30 HB ILE 5 HB ILE 5 -0.217 -13.099 2.328 31 1HG1 ILE 5 1HG1 ILE 5 -0.997 -13.111 -0.084 32 2HG1 ILE 5 2HG1 ILE 5 -2.206 -13.533 1.119 33 1HG2 ILE 5 1HG2 ILE 5 -0.909 -11.456 3.889 34 2HG2 ILE 5 2HG2 ILE 5 -1.909 -10.623 2.685 35 3HG2 ILE 5 3HG2 ILE 5 -2.344 -12.246 3.243 36 1HD1 ILE 5 1HD1 ILE 5 -3.284 -11.373 0.938 37 2HD1 ILE 5 2HD1 ILE 5 -1.986 -10.747 -0.098 38 3HD1 ILE 5 3HD1 ILE 5 -3.054 -12.032 -0.686 39 H ILE 6 H ILE 6 0.238 -9.255 2.793 40 HA ILE 6 HA ILE 6 2.473 -9.884 4.655 41 HB ILE 6 HB ILE 6 2.695 -7.518 5.038 42 1HG1 ILE 6 1HG1 ILE 6 0.857 -7.054 2.655 43 2HG1 ILE 6 2HG1 ILE 6 0.451 -6.733 4.352 44 1HG2 ILE 6 1HG2 ILE 6 4.108 -8.759 3.360 45 2HG2 ILE 6 2HG2 ILE 6 3.049 -8.148 2.073 46 3HG2 ILE 6 3HG2 ILE 6 4.010 -7.022 3.057 47 1HD1 ILE 6 1HD1 ILE 6 2.339 -5.092 4.447 48 2HD1 ILE 6 2HD1 ILE 6 2.576 -5.322 2.696 49 3HD1 ILE 6 3HD1 ILE 6 1.053 -4.663 3.299 50 H ASP 7 H ASP 7 2.055 -9.333 6.847 51 HA ASP 7 HA ASP 7 -0.687 -10.029 7.578 52 1HB ASP 7 1HB ASP 7 1.758 -9.451 9.297 53 2HB ASP 7 2HB ASP 7 0.213 -10.097 9.860 54 H ILE 8 H ILE 8 -2.238 -8.495 8.071 55 HA ILE 8 HA ILE 8 -1.700 -5.744 8.459 56 HB ILE 8 HB ILE 8 -3.989 -5.742 9.275 57 1HG1 ILE 8 1HG1 ILE 8 -3.998 -8.772 8.967 58 2HG1 ILE 8 2HG1 ILE 8 -4.140 -7.860 10.477 59 1HG2 ILE 8 1HG2 ILE 8 -3.350 -5.700 6.842 60 2HG2 ILE 8 2HG2 ILE 8 -3.736 -7.427 6.758 61 3HG2 ILE 8 3HG2 ILE 8 -4.999 -6.240 7.138 62 1HD1 ILE 8 1HD1 ILE 8 -6.237 -6.801 9.587 63 2HD1 ILE 8 2HD1 ILE 8 -6.144 -7.911 8.196 64 3HD1 ILE 8 3HD1 ILE 8 -6.330 -8.557 9.831 65 H GLY 9 H GLY 9 -1.128 -4.648 10.297 66 1HA GLY 9 1HA GLY 9 -1.178 -5.411 12.985 67 2HA GLY 9 2HA GLY 9 0.319 -6.048 12.242 68 HA PRO 10 HA PRO 10 0.430 -1.510 13.634 69 1HB PRO 10 1HB PRO 10 3.099 -1.502 14.530 70 2HB PRO 10 2HB PRO 10 1.635 -1.787 15.507 71 1HG PRO 10 1HG PRO 10 3.453 -3.842 14.246 72 2HG PRO 10 2HG PRO 10 2.755 -3.846 15.890 73 1HD PRO 10 1HD PRO 10 1.654 -5.332 13.943 74 2HD PRO 10 2HD PRO 10 0.583 -4.419 15.043 75 H PHE 11 H PHE 11 3.221 -3.090 11.991 76 HA PHE 11 HA PHE 11 4.219 -0.871 10.643 77 1HB PHE 11 1HB PHE 11 5.257 -3.124 10.827 78 2HB PHE 11 2HB PHE 11 4.094 -3.761 9.677 79 HD1 PHE 11 HD1 PHE 11 4.233 -3.147 7.262 80 HD2 PHE 11 HD2 PHE 11 7.167 -1.807 10.136 81 HE1 PHE 11 HE1 PHE 11 5.886 -2.834 5.444 82 HE2 PHE 11 HE2 PHE 11 8.812 -1.510 8.311 83 HZ PHE 11 HZ PHE 11 8.178 -2.041 5.960 84 H THR 12 H THR 12 1.863 -3.295 9.376 85 HA THR 12 HA THR 12 1.403 -2.053 6.911 86 HB THR 12 HB THR 12 -0.456 -3.857 8.412 87 HG1 THR 12 HG1 THR 12 0.968 -5.526 7.879 88 1HG2 THR 12 1HG2 THR 12 -1.202 -3.154 6.151 89 2HG2 THR 12 2HG2 THR 12 0.346 -3.689 5.470 90 3HG2 THR 12 3HG2 THR 12 -0.781 -4.878 6.156 91 H GLN 13 H GLN 13 -0.234 -1.771 10.073 92 HA GLN 13 HA GLN 13 -2.411 -0.122 9.252 93 1HB GLN 13 1HB GLN 13 -0.934 -0.575 11.872 94 2HB GLN 13 2HB GLN 13 -2.266 0.564 11.722 95 1HG GLN 13 1HG GLN 13 -3.804 -1.177 11.032 96 2HG GLN 13 2HG GLN 13 -2.503 -2.369 10.932 97 1HE2 GLN 13 1HE2 GLN 13 -4.263 -0.232 13.238 98 2HE2 GLN 13 2HE2 GLN 13 -3.979 -1.268 14.623 99 H ASN 14 H ASN 14 0.922 0.643 10.452 100 HA ASN 14 HA ASN 14 0.665 3.445 10.324 101 1HB ASN 14 1HB ASN 14 2.567 2.323 11.385 102 2HB ASN 14 2HB ASN 14 3.138 1.740 9.823 103 1HD2 ASN 14 1HD2 ASN 14 5.001 2.863 9.364 104 2HD2 ASN 14 2HD2 ASN 14 5.120 4.613 9.458 105 H LEU 15 H LEU 15 1.706 1.123 7.780 106 HA LEU 15 HA LEU 15 2.079 3.080 5.718 107 1HB LEU 15 1HB LEU 15 1.147 0.196 5.463 108 2HB LEU 15 2HB LEU 15 1.639 1.228 4.124 109 HG LEU 15 HG LEU 15 3.456 0.362 6.419 110 1HD1 LEU 15 1HD1 LEU 15 2.865 -1.502 4.951 111 2HD1 LEU 15 2HD1 LEU 15 3.227 -0.525 3.515 112 3HD1 LEU 15 3HD1 LEU 15 4.532 -0.998 4.620 113 1HD2 LEU 15 1HD2 LEU 15 4.052 1.938 3.878 114 2HD2 LEU 15 2HD2 LEU 15 4.219 2.525 5.550 115 3HD2 LEU 15 3HD2 LEU 15 5.274 1.242 4.960 116 H GLY 16 H GLY 16 -0.848 1.274 6.691 117 1HA GLY 16 1HA GLY 16 -2.662 2.326 4.787 118 2HA GLY 16 2HA GLY 16 -3.081 1.780 6.420 119 H LYS 17 H LYS 17 -1.905 3.543 8.089 120 HA LYS 17 HA LYS 17 -3.575 5.737 8.107 121 1HB LYS 17 1HB LYS 17 -1.909 4.503 9.903 122 2HB LYS 17 2HB LYS 17 -0.899 5.877 9.519 123 1HG LYS 17 1HG LYS 17 -3.720 5.898 10.665 124 2HG LYS 17 2HG LYS 17 -2.212 6.382 11.461 125 1HD LYS 17 1HD LYS 17 -1.967 8.153 9.619 126 2HD LYS 17 2HD LYS 17 -3.615 7.732 9.117 127 1HE LYS 17 1HE LYS 17 -3.785 9.679 10.504 128 2HE LYS 17 2HE LYS 17 -4.453 8.311 11.411 129 1HZ LYS 17 1HZ LYS 17 -2.367 8.183 12.591 130 2HZ LYS 17 2HZ LYS 17 -1.755 9.444 11.723 131 3HZ LYS 17 3HZ LYS 17 -3.026 9.683 12.742 132 H PHE 18 H PHE 18 -0.161 5.422 7.223 133 HA PHE 18 HA PHE 18 0.382 8.074 6.425 134 1HB PHE 18 1HB PHE 18 2.159 6.479 6.721 135 2HB PHE 18 2HB PHE 18 1.470 5.381 5.549 136 HD1 PHE 18 HD1 PHE 18 1.911 5.539 3.197 137 HD2 PHE 18 HD2 PHE 18 3.298 8.599 5.906 138 HE1 PHE 18 HE1 PHE 18 3.595 6.261 1.527 139 HE2 PHE 18 HE2 PHE 18 4.983 9.310 4.230 140 HZ PHE 18 HZ PHE 18 5.196 8.088 2.082 141 H ALA 19 H ALA 19 -0.921 5.369 4.490 142 HA ALA 19 HA ALA 19 -1.153 6.763 2.036 143 1HB ALA 19 1HB ALA 19 -1.553 4.254 2.506 144 2HB ALA 19 2HB ALA 19 -3.184 4.705 3.001 145 3HB ALA 19 3HB ALA 19 -2.645 5.062 1.356 146 H VAL 20 H VAL 20 -3.516 6.332 4.651 147 HA VAL 20 HA VAL 20 -5.561 7.983 3.505 148 HB VAL 20 HB VAL 20 -5.019 7.082 6.357 149 1HG1 VAL 20 1HG1 VAL 20 -6.401 9.064 6.563 150 2HG1 VAL 20 2HG1 VAL 20 -7.430 8.543 5.199 151 3HG1 VAL 20 3HG1 VAL 20 -7.466 7.668 6.734 152 1HG2 VAL 20 1HG2 VAL 20 -7.085 6.202 4.276 153 2HG2 VAL 20 2HG2 VAL 20 -5.585 5.330 4.621 154 3HG2 VAL 20 3HG2 VAL 20 -6.826 5.482 5.876 155 H ASP 21 H ASP 21 -2.819 8.728 5.660 156 HA ASP 21 HA ASP 21 -3.582 11.366 6.337 157 1HB ASP 21 1HB ASP 21 -1.942 10.171 7.646 158 2HB ASP 21 2HB ASP 21 -0.867 9.992 6.254 159 H GLU 22 H GLU 22 -1.427 10.056 3.800 160 HA GLU 22 HA GLU 22 -0.752 12.492 2.544 161 1HB GLU 22 1HB GLU 22 0.302 10.210 2.097 162 2HB GLU 22 2HB GLU 22 -1.166 9.768 1.221 163 1HG GLU 22 1HG GLU 22 0.453 10.455 -0.394 164 2HG GLU 22 2HG GLU 22 -0.724 11.767 -0.319 165 H GLU 23 H GLU 23 -3.449 10.161 1.884 166 HA GLU 23 HA GLU 23 -4.566 11.692 -0.207 167 1HB GLU 23 1HB GLU 23 -5.190 9.330 0.276 168 2HB GLU 23 2HB GLU 23 -6.096 9.875 1.706 169 1HG GLU 23 1HG GLU 23 -7.518 11.312 0.271 170 2HG GLU 23 2HG GLU 23 -6.547 10.868 -1.147 171 H ASN 24 H ASN 24 -5.239 11.829 3.318 172 HA ASN 24 HA ASN 24 -7.321 13.778 3.256 173 1HB ASN 24 1HB ASN 24 -5.323 12.745 5.294 174 2HB ASN 24 2HB ASN 24 -6.162 14.237 5.601 175 1HD2 ASN 24 1HD2 ASN 24 -6.748 10.775 4.948 176 2HD2 ASN 24 2HD2 ASN 24 -8.217 10.725 5.940 177 H LYS 25 H LYS 25 -3.742 14.002 3.490 178 HA LYS 25 HA LYS 25 -3.626 16.783 3.966 179 1HB LYS 25 1HB LYS 25 -1.818 15.158 4.385 180 2HB LYS 25 2HB LYS 25 -1.557 14.975 2.640 181 1HG LYS 25 1HG LYS 25 -0.891 17.336 2.473 182 2HG LYS 25 2HG LYS 25 -1.295 17.593 4.184 183 1HD LYS 25 1HD LYS 25 0.417 15.916 4.845 184 2HD LYS 25 2HD LYS 25 0.827 15.654 3.139 185 1HE LYS 25 1HE LYS 25 1.546 18.012 2.929 186 2HE LYS 25 2HE LYS 25 1.068 18.327 4.610 187 1HZ LYS 25 1HZ LYS 25 2.703 16.746 5.314 188 2HZ LYS 25 2HZ LYS 25 3.148 16.439 3.757 189 3HZ LYS 25 3HZ LYS 25 3.403 17.931 4.410 190 H ILE 26 H ILE 26 -3.468 14.932 0.882 191 HA ILE 26 HA ILE 26 -3.303 17.348 -0.732 192 HB ILE 26 HB ILE 26 -4.147 14.543 -1.535 193 1HG1 ILE 26 1HG1 ILE 26 -1.425 15.922 -1.799 194 2HG1 ILE 26 2HG1 ILE 26 -1.801 14.751 -0.540 195 1HG2 ILE 26 1HG2 ILE 26 -4.836 16.367 -3.148 196 2HG2 ILE 26 2HG2 ILE 26 -3.151 16.901 -3.217 197 3HG2 ILE 26 3HG2 ILE 26 -3.615 15.302 -3.832 198 1HD1 ILE 26 1HD1 ILE 26 -2.316 13.040 -2.282 199 2HD1 ILE 26 2HD1 ILE 26 -1.721 14.179 -3.517 200 3HD1 ILE 26 3HD1 ILE 26 -0.631 13.596 -2.255 201 H GLY 27 H GLY 27 -5.979 15.207 0.325 202 1HA GLY 27 1HA GLY 27 -8.081 15.883 0.929 203 2HA GLY 27 2HA GLY 27 -7.873 17.440 0.125 204 H GLN 28 H GLN 28 -7.015 14.672 -1.782 205 HA GLN 28 HA GLN 28 -8.728 15.241 -3.899 206 1HB GLN 28 1HB GLN 28 -7.417 12.641 -3.007 207 2HB GLN 28 2HB GLN 28 -8.358 12.727 -4.497 208 1HG GLN 28 1HG GLN 28 -5.989 14.534 -3.902 209 2HG GLN 28 2HG GLN 28 -5.880 13.017 -4.805 210 1HE2 GLN 28 1HE2 GLN 28 -4.993 15.281 -6.091 211 2HE2 GLN 28 2HE2 GLN 28 -6.155 15.721 -7.331 212 H TYR 29 H TYR 29 -9.336 13.031 -1.194 213 HA TYR 29 HA TYR 29 -12.230 12.873 -2.009 214 1HB TYR 29 1HB TYR 29 -10.318 10.775 -1.045 215 2HB TYR 29 2HB TYR 29 -11.944 10.745 -0.399 216 HD1 TYR 29 HD1 TYR 29 -9.957 9.877 -3.302 217 HD2 TYR 29 HD2 TYR 29 -13.951 10.695 -1.902 218 HE1 TYR 29 HE1 TYR 29 -10.884 8.456 -5.107 219 HE2 TYR 29 HE2 TYR 29 -14.877 9.341 -3.764 220 HH TYR 29 HH TYR 29 -12.877 7.222 -5.684 221 H GLY 30 H GLY 30 -10.962 15.014 -0.578 222 1HA GLY 30 1HA GLY 30 -11.417 16.334 1.242 223 2HA GLY 30 2HA GLY 30 -12.845 15.322 1.531 224 H ARG 31 H ARG 31 -12.679 15.045 3.734 225 HA ARG 31 HA ARG 31 -10.106 14.216 4.935 226 1HB ARG 31 1HB ARG 31 -11.264 16.233 5.792 227 2HB ARG 31 2HB ARG 31 -12.656 15.227 6.242 228 1HG ARG 31 1HG ARG 31 -11.142 13.894 7.747 229 2HG ARG 31 2HG ARG 31 -9.809 14.977 7.318 230 1HD ARG 31 1HD ARG 31 -12.395 15.791 8.733 231 2HD ARG 31 2HD ARG 31 -10.826 15.551 9.478 232 HE ARG 31 HE ARG 31 -9.950 17.477 8.545 233 1HH1 ARG 31 1HH1 ARG 31 -13.299 17.069 7.462 234 2HH1 ARG 31 2HH1 ARG 31 -13.494 18.741 7.016 235 1HH2 ARG 31 1HH2 ARG 31 -10.193 19.636 7.935 236 2HH2 ARG 31 2HH2 ARG 31 -11.692 20.215 7.265 237 H LEU 32 H LEU 32 -9.896 12.064 5.518 238 HA LEU 32 HA LEU 32 -12.360 10.371 5.831 239 1HB LEU 32 1HB LEU 32 -9.753 9.486 4.608 240 2HB LEU 32 2HB LEU 32 -11.253 8.570 4.768 241 HG LEU 32 HG LEU 32 -12.050 10.870 3.339 242 1HD1 LEU 32 1HD1 LEU 32 -9.704 11.514 2.976 243 2HD1 LEU 32 2HD1 LEU 32 -9.320 9.883 2.419 244 3HD1 LEU 32 3HD1 LEU 32 -10.383 10.920 1.449 245 1HD2 LEU 32 1HD2 LEU 32 -11.243 8.140 2.276 246 2HD2 LEU 32 2HD2 LEU 32 -12.821 8.564 2.987 247 3HD2 LEU 32 3HD2 LEU 32 -12.307 9.317 1.468 248 H THR 33 H THR 33 -12.385 9.108 7.570 249 HA THR 33 HA THR 33 -10.228 9.411 9.562 250 HB THR 33 HB THR 33 -13.019 8.220 9.853 251 HG1 THR 33 HG1 THR 33 -13.506 10.345 10.624 252 1HG2 THR 33 1HG2 THR 33 -11.430 7.708 11.707 253 2HG2 THR 33 2HG2 THR 33 -11.081 9.444 11.876 254 3HG2 THR 33 3HG2 THR 33 -12.706 8.820 12.229 255 H PHE 34 H PHE 34 -8.647 7.894 9.004 256 HA PHE 34 HA PHE 34 -8.889 5.299 8.057 257 1HB PHE 34 1HB PHE 34 -6.772 6.182 8.322 258 2HB PHE 34 2HB PHE 34 -6.975 6.510 10.050 259 HD1 PHE 34 HD1 PHE 34 -6.706 3.720 7.524 260 HD2 PHE 34 HD2 PHE 34 -6.238 4.892 11.649 261 HE1 PHE 34 HE1 PHE 34 -5.222 1.770 7.917 262 HE2 PHE 34 HE2 PHE 34 -4.747 2.952 12.028 263 HZ PHE 34 HZ PHE 34 -4.182 1.429 10.141 264 H ASN 35 H ASN 35 -9.792 3.546 8.712 265 HA ASN 35 HA ASN 35 -10.829 3.231 11.521 266 1HB ASN 35 1HB ASN 35 -11.628 1.893 8.894 267 2HB ASN 35 2HB ASN 35 -12.011 1.236 10.474 268 1HD2 ASN 35 1HD2 ASN 35 -12.090 4.814 9.772 269 2HD2 ASN 35 2HD2 ASN 35 -13.819 4.873 10.031 270 H LYS 36 H LYS 36 -9.315 1.329 8.830 271 HA LYS 36 HA LYS 36 -7.105 0.569 10.360 272 1HB LYS 36 1HB LYS 36 -9.223 -0.946 11.285 273 2HB LYS 36 2HB LYS 36 -8.685 -1.954 9.951 274 1HG LYS 36 1HG LYS 36 -6.269 -1.551 11.025 275 2HG LYS 36 2HG LYS 36 -7.193 -1.034 12.429 276 1HD LYS 36 1HD LYS 36 -7.411 -3.752 11.027 277 2HD LYS 36 2HD LYS 36 -6.494 -3.427 12.507 278 1HE LYS 36 1HE LYS 36 -8.612 -2.732 13.651 279 2HE LYS 36 2HE LYS 36 -9.521 -3.161 12.189 280 1HZ LYS 36 1HZ LYS 36 -8.731 -5.397 12.424 281 2HZ LYS 36 2HZ LYS 36 -7.886 -5.003 13.784 282 3HZ LYS 36 3HZ LYS 36 -9.532 -4.918 13.783 283 H VAL 37 H VAL 37 -6.472 -1.897 9.112 284 HA VAL 37 HA VAL 37 -6.866 -1.536 6.221 285 HB VAL 37 HB VAL 37 -4.623 -0.874 6.958 286 1HG1 VAL 37 1HG1 VAL 37 -2.995 -2.462 7.854 287 2HG1 VAL 37 2HG1 VAL 37 -4.352 -2.284 8.971 288 3HG1 VAL 37 3HG1 VAL 37 -4.235 -3.722 7.941 289 1HG2 VAL 37 1HG2 VAL 37 -4.662 -3.496 5.402 290 2HG2 VAL 37 2HG2 VAL 37 -4.886 -1.866 4.727 291 3HG2 VAL 37 3HG2 VAL 37 -3.326 -2.340 5.424 292 H ILE 38 H ILE 38 -7.061 -3.595 5.116 293 HA ILE 38 HA ILE 38 -7.286 -5.990 6.796 294 HB ILE 38 HB ILE 38 -9.471 -6.583 5.936 295 1HG1 ILE 38 1HG1 ILE 38 -10.140 -3.742 5.177 296 2HG1 ILE 38 2HG1 ILE 38 -9.286 -4.735 3.986 297 1HG2 ILE 38 1HG2 ILE 38 -9.253 -5.587 8.184 298 2HG2 ILE 38 2HG2 ILE 38 -9.605 -3.983 7.510 299 3HG2 ILE 38 3HG2 ILE 38 -10.829 -5.261 7.450 300 1HD1 ILE 38 1HD1 ILE 38 -10.963 -6.498 4.140 301 2HD1 ILE 38 2HD1 ILE 38 -11.875 -5.554 5.346 302 3HD1 ILE 38 3HD1 ILE 38 -11.704 -4.962 3.682 303 H ARG 39 H ARG 39 -7.532 -7.913 5.491 304 HA ARG 39 HA ARG 39 -5.708 -7.868 3.313 305 1HB ARG 39 1HB ARG 39 -7.452 -9.958 4.619 306 2HB ARG 39 2HB ARG 39 -6.546 -10.360 3.161 307 1HG ARG 39 1HG ARG 39 -4.433 -9.877 4.164 308 2HG ARG 39 2HG ARG 39 -5.172 -9.013 5.517 309 1HD ARG 39 1HD ARG 39 -4.340 -11.226 6.184 310 2HD ARG 39 2HD ARG 39 -6.090 -11.039 6.441 311 HE ARG 39 HE ARG 39 -5.649 -12.198 3.877 312 1HH1 ARG 39 1HH1 ARG 39 -5.302 -12.996 7.294 313 2HH1 ARG 39 2HH1 ARG 39 -5.620 -14.696 7.089 314 1HH2 ARG 39 1HH2 ARG 39 -6.090 -14.425 3.579 315 2HH2 ARG 39 2HH2 ARG 39 -6.069 -15.522 4.933 316 HA PRO 40 HA PRO 40 -5.484 -9.487 1.393 317 1HB PRO 40 1HB PRO 40 -4.941 -8.920 -1.213 318 2HB PRO 40 2HB PRO 40 -6.102 -10.176 -0.695 319 1HG PRO 40 1HG PRO 40 -6.695 -7.360 -1.579 320 2HG PRO 40 2HG PRO 40 -7.518 -8.858 -2.089 321 1HD PRO 40 1HD PRO 40 -8.535 -7.229 -0.116 322 2HD PRO 40 2HD PRO 40 -8.717 -9.003 -0.051 323 H CYS 41 H CYS 41 -3.390 -8.750 1.682 324 HA CYS 41 HA CYS 41 -2.720 -5.935 1.067 325 1HB CYS 41 1HB CYS 41 -2.032 -7.420 3.669 326 2HB CYS 41 2HB CYS 41 -1.455 -5.822 3.139 327 HG CYS 41 HG CYS 41 -4.183 -5.123 2.793 328 H MET 42 H MET 42 -1.196 -6.328 -0.555 329 HA MET 42 HA MET 42 0.534 -8.735 -0.220 330 1HB MET 42 1HB MET 42 -1.683 -8.886 -1.703 331 2HB MET 42 2HB MET 42 -0.711 -8.006 -2.877 332 1HG MET 42 1HG MET 42 1.035 -9.861 -2.577 333 2HG MET 42 2HG MET 42 -0.138 -10.696 -1.563 334 1HE MET 42 1HE MET 42 1.285 -12.070 -4.010 335 2HE MET 42 2HE MET 42 0.092 -12.875 -2.958 336 3HE MET 42 3HE MET 42 -0.093 -12.935 -4.727 337 H LYS 43 H LYS 43 2.620 -8.593 -1.080 338 HA LYS 43 HA LYS 43 3.321 -5.825 -2.006 339 1HB LYS 43 1HB LYS 43 5.269 -5.828 -0.790 340 2HB LYS 43 2HB LYS 43 4.048 -6.450 0.341 341 1HG LYS 43 1HG LYS 43 4.911 -8.766 -0.106 342 2HG LYS 43 2HG LYS 43 6.131 -8.089 -1.205 343 1HD LYS 43 1HD LYS 43 7.081 -6.707 0.574 344 2HD LYS 43 2HD LYS 43 5.913 -7.353 1.738 345 1HE LYS 43 1HE LYS 43 6.822 -9.628 1.418 346 2HE LYS 43 2HE LYS 43 7.956 -9.019 0.194 347 1HZ LYS 43 1HZ LYS 43 8.953 -7.656 1.873 348 2HZ LYS 43 2HZ LYS 43 7.903 -8.212 3.015 349 3HZ LYS 43 3HZ LYS 43 8.988 -9.241 2.323 350 H LYS 44 H LYS 44 4.840 -5.555 -3.586 351 HA LYS 44 HA LYS 44 5.947 -8.008 -4.862 352 1HB LYS 44 1HB LYS 44 4.063 -6.887 -6.214 353 2HB LYS 44 2HB LYS 44 5.197 -5.564 -6.471 354 1HG LYS 44 1HG LYS 44 6.842 -7.294 -7.427 355 2HG LYS 44 2HG LYS 44 5.574 -8.498 -7.206 356 1HD LYS 44 1HD LYS 44 5.373 -7.913 -9.463 357 2HD LYS 44 2HD LYS 44 4.098 -6.964 -8.683 358 1HE LYS 44 1HE LYS 44 5.237 -5.579 -10.293 359 2HE LYS 44 2HE LYS 44 5.639 -4.973 -8.682 360 1HZ LYS 44 1HZ LYS 44 7.751 -6.050 -8.845 361 2HZ LYS 44 2HZ LYS 44 7.343 -6.766 -10.277 362 3HZ LYS 44 3HZ LYS 44 7.523 -5.132 -10.187 363 H THR 45 H THR 45 8.058 -7.730 -5.685 364 HA THR 45 HA THR 45 9.654 -5.625 -4.380 365 HB THR 45 HB THR 45 10.463 -7.958 -6.166 366 HG1 THR 45 HG1 THR 45 9.423 -8.376 -4.040 367 1HG2 THR 45 1HG2 THR 45 12.200 -6.226 -6.087 368 2HG2 THR 45 2HG2 THR 45 12.058 -6.129 -4.317 369 3HG2 THR 45 3HG2 THR 45 12.680 -7.609 -5.078 370 H ILE 46 H ILE 46 10.616 -3.927 -5.500 371 HA ILE 46 HA ILE 46 9.900 -3.583 -8.366 372 HB ILE 46 HB ILE 46 9.249 -1.955 -6.136 373 1HG1 ILE 46 1HG1 ILE 46 8.150 -0.553 -7.885 374 2HG1 ILE 46 2HG1 ILE 46 8.908 -1.556 -9.130 375 1HG2 ILE 46 1HG2 ILE 46 11.422 -0.808 -6.378 376 2HG2 ILE 46 2HG2 ILE 46 11.042 -0.473 -8.089 377 3HG2 ILE 46 3HG2 ILE 46 10.067 0.237 -6.790 378 1HD1 ILE 46 1HD1 ILE 46 7.671 -3.536 -8.252 379 2HD1 ILE 46 2HD1 ILE 46 7.031 -2.540 -6.932 380 3HD1 ILE 46 3HD1 ILE 46 6.556 -2.211 -8.611 381 H TYR 47 H TYR 47 11.573 -3.182 -9.797 382 HA TYR 47 HA TYR 47 14.276 -2.676 -8.936 383 1HB TYR 47 1HB TYR 47 15.146 -4.853 -9.208 384 2HB TYR 47 2HB TYR 47 13.859 -4.947 -8.003 385 HD1 TYR 47 HD1 TYR 47 15.090 -6.230 -11.163 386 HD2 TYR 47 HD2 TYR 47 11.688 -6.015 -8.521 387 HE1 TYR 47 HE1 TYR 47 14.294 -8.409 -12.002 388 HE2 TYR 47 HE2 TYR 47 10.904 -8.195 -9.344 389 HH TYR 47 HH TYR 47 11.366 -10.003 -10.693 390 H GLU 48 H GLU 48 15.801 -3.521 -10.841 391 HA GLU 48 HA GLU 48 14.626 -3.570 -13.426 392 1HB GLU 48 1HB GLU 48 14.508 -1.122 -12.647 393 2HB GLU 48 2HB GLU 48 16.266 -1.067 -12.741 394 1HG GLU 48 1HG GLU 48 14.602 -1.981 -15.126 395 2HG GLU 48 2HG GLU 48 14.595 -0.275 -14.677 396 H ASN 49 H ASN 49 16.560 -3.397 -14.972 397 HA ASN 49 HA ASN 49 18.604 -5.301 -14.058 398 1HB ASN 49 1HB ASN 49 17.943 -4.098 -16.769 399 2HB ASN 49 2HB ASN 49 19.368 -5.088 -16.456 400 1HD2 ASN 49 1HD2 ASN 49 17.983 -6.212 -18.328 401 2HD2 ASN 49 2HD2 ASN 49 16.972 -7.512 -17.721 402 H GLU 50 H GLU 50 18.613 -2.093 -15.667 403 HA GLU 50 HA GLU 50 20.258 -0.578 -15.951 404 1HB GLU 50 1HB GLU 50 19.328 -0.147 -13.620 405 2HB GLU 50 2HB GLU 50 20.733 -1.007 -12.974 406 1HG GLU 50 1HG GLU 50 21.107 1.397 -12.882 407 2HG GLU 50 2HG GLU 50 22.223 0.710 -14.062 408 H GLY 51 H GLY 51 21.180 -2.676 -17.049 409 1HA GLY 51 1HA GLY 51 23.113 -3.743 -17.731 410 2HA GLY 51 2HA GLY 51 24.051 -2.855 -16.528 411 H PHE 52 H PHE 52 23.409 -3.518 -14.192 412 HA PHE 52 HA PHE 52 23.483 -6.518 -14.056 413 1HB PHE 52 1HB PHE 52 25.642 -5.135 -13.638 414 2HB PHE 52 2HB PHE 52 24.930 -4.779 -12.075 415 HD1 PHE 52 HD1 PHE 52 24.304 -6.772 -10.540 416 HD2 PHE 52 HD2 PHE 52 26.576 -7.267 -14.178 417 HE1 PHE 52 HE1 PHE 52 25.176 -8.938 -9.710 418 HE2 PHE 52 HE2 PHE 52 27.467 -9.416 -13.330 419 HZ PHE 52 HZ PHE 52 26.815 -10.229 -11.068 420 H ARG 53 H ARG 53 21.502 -6.994 -13.461 421 HA ARG 53 HA ARG 53 19.477 -5.960 -12.178 422 1HB ARG 53 1HB ARG 53 18.874 -8.194 -11.377 423 2HB ARG 53 2HB ARG 53 19.618 -8.253 -12.978 424 1HG ARG 53 1HG ARG 53 21.859 -8.640 -11.546 425 2HG ARG 53 2HG ARG 53 20.723 -9.167 -10.314 426 1HD ARG 53 1HD ARG 53 19.801 -10.865 -11.813 427 2HD ARG 53 2HD ARG 53 20.807 -10.312 -13.154 428 HE ARG 53 HE ARG 53 21.567 -12.047 -10.981 429 1HH1 ARG 53 1HH1 ARG 53 22.850 -9.600 -13.179 430 2HH1 ARG 53 2HH1 ARG 53 24.515 -10.048 -12.949 431 1HH2 ARG 53 1HH2 ARG 53 23.731 -12.733 -10.760 432 2HH2 ARG 53 2HH2 ARG 53 25.007 -11.939 -11.644 433 H GLU 54 H GLU 54 18.886 -4.948 -10.343 434 HA GLU 54 HA GLU 54 19.965 -5.817 -7.822 435 1HB GLU 54 1HB GLU 54 21.620 -4.092 -8.597 436 2HB GLU 54 2HB GLU 54 20.303 -2.913 -8.717 437 1HG GLU 54 1HG GLU 54 19.898 -3.119 -6.271 438 2HG GLU 54 2HG GLU 54 21.165 -4.354 -6.162 439 H ILE 55 H ILE 55 18.383 -5.678 -6.277 440 HA ILE 55 HA ILE 55 15.759 -4.756 -6.979 441 HB ILE 55 HB ILE 55 16.933 -5.290 -4.221 442 1HG1 ILE 55 1HG1 ILE 55 17.236 -7.315 -5.410 443 2HG1 ILE 55 2HG1 ILE 55 15.783 -7.517 -4.440 444 1HG2 ILE 55 1HG2 ILE 55 14.900 -4.048 -3.978 445 2HG2 ILE 55 2HG2 ILE 55 14.074 -5.020 -5.203 446 3HG2 ILE 55 3HG2 ILE 55 14.514 -5.733 -3.635 447 1HD1 ILE 55 1HD1 ILE 55 14.428 -6.973 -6.536 448 2HD1 ILE 55 2HD1 ILE 55 15.950 -7.040 -7.446 449 3HD1 ILE 55 3HD1 ILE 55 15.364 -8.476 -6.594 450 H LYS 56 H LYS 56 14.851 -2.721 -6.858 451 HA LYS 56 HA LYS 56 16.606 -0.589 -5.717 452 1HB LYS 56 1HB LYS 56 15.840 0.924 -7.174 453 2HB LYS 56 2HB LYS 56 15.932 -0.527 -8.174 454 1HG LYS 56 1HG LYS 56 13.443 -0.772 -7.956 455 2HG LYS 56 2HG LYS 56 13.404 0.637 -6.887 456 1HD LYS 56 1HD LYS 56 12.720 1.436 -8.975 457 2HD LYS 56 2HD LYS 56 14.359 2.043 -8.715 458 1HE LYS 56 1HE LYS 56 15.231 0.214 -10.210 459 2HE LYS 56 2HE LYS 56 13.562 -0.350 -10.442 460 1HZ LYS 56 1HZ LYS 56 13.052 1.763 -11.413 461 2HZ LYS 56 2HZ LYS 56 14.595 2.295 -11.182 462 3HZ LYS 56 3HZ LYS 56 14.299 1.051 -12.220 463 H GLY 57 H GLY 57 13.458 -2.195 -5.318 464 1HA GLY 57 1HA GLY 57 12.964 -0.909 -2.786 465 2HA GLY 57 2HA GLY 57 12.080 -0.135 -4.120 466 H TYR 58 H TYR 58 10.228 -0.903 -2.770 467 HA TYR 58 HA TYR 58 9.200 -3.408 -3.904 468 1HB TYR 58 1HB TYR 58 8.857 -2.751 -0.965 469 2HB TYR 58 2HB TYR 58 8.349 -4.192 -1.811 470 HD1 TYR 58 HD1 TYR 58 11.268 -2.379 -0.417 471 HD2 TYR 58 HD2 TYR 58 9.883 -6.079 -2.135 472 HE1 TYR 58 HE1 TYR 58 13.461 -3.426 0.059 473 HE2 TYR 58 HE2 TYR 58 12.089 -7.103 -1.717 474 HH TYR 58 HH TYR 58 14.236 -6.772 -0.920 475 H GLU 59 H GLU 59 6.821 -3.437 -3.595 476 HA GLU 59 HA GLU 59 5.635 -0.872 -2.846 477 1HB GLU 59 1HB GLU 59 4.056 -0.893 -4.614 478 2HB GLU 59 2HB GLU 59 5.664 -0.952 -5.337 479 1HG GLU 59 1HG GLU 59 5.358 -3.462 -5.571 480 2HG GLU 59 2HG GLU 59 3.696 -3.276 -4.988 481 H TYR 60 H TYR 60 3.639 -1.032 -1.871 482 HA TYR 60 HA TYR 60 2.879 -3.729 -0.849 483 1HB TYR 60 1HB TYR 60 2.651 -1.136 0.700 484 2HB TYR 60 2HB TYR 60 2.506 -2.783 1.291 485 HD1 TYR 60 HD1 TYR 60 4.804 -4.234 0.789 486 HD2 TYR 60 HD2 TYR 60 4.549 0.021 1.393 487 HE1 TYR 60 HE1 TYR 60 7.221 -4.169 1.348 488 HE2 TYR 60 HE2 TYR 60 6.901 0.049 2.132 489 HH TYR 60 HH TYR 60 9.021 -2.815 1.960 490 H GLN 61 H GLN 61 0.859 -4.128 -1.605 491 HA GLN 61 HA GLN 61 -0.920 -1.867 -2.401 492 1HB GLN 61 1HB GLN 61 0.065 -3.214 -4.210 493 2HB GLN 61 2HB GLN 61 -0.655 -4.681 -3.532 494 1HG GLN 61 1HG GLN 61 -2.874 -3.879 -3.972 495 2HG GLN 61 2HG GLN 61 -2.303 -2.245 -4.358 496 1HE2 GLN 61 1HE2 GLN 61 -1.019 -1.918 -6.382 497 2HE2 GLN 61 2HE2 GLN 61 -1.215 -3.097 -7.664 498 H LEU 62 H LEU 62 -2.344 -1.605 -0.731 499 HA LEU 62 HA LEU 62 -3.481 -4.016 0.597 500 1HB LEU 62 1HB LEU 62 -3.236 -2.808 2.759 501 2HB LEU 62 2HB LEU 62 -1.718 -3.380 2.081 502 HG LEU 62 HG LEU 62 -2.534 -0.532 1.479 503 1HD1 LEU 62 1HD1 LEU 62 -2.985 -0.634 3.855 504 2HD1 LEU 62 2HD1 LEU 62 -1.426 -1.448 4.158 505 3HD1 LEU 62 3HD1 LEU 62 -1.470 0.232 3.590 506 1HD2 LEU 62 1HD2 LEU 62 0.136 -1.861 2.151 507 2HD2 LEU 62 2HD2 LEU 62 -0.437 -1.434 0.528 508 3HD2 LEU 62 3HD2 LEU 62 -0.093 -0.161 1.695 509 H TYR 63 H TYR 63 -5.576 -3.912 1.311 510 HA TYR 63 HA TYR 63 -7.114 -1.610 0.383 511 1HB TYR 63 1HB TYR 63 -7.758 -4.387 1.357 512 2HB TYR 63 2HB TYR 63 -8.959 -3.115 1.300 513 HD1 TYR 63 HD1 TYR 63 -6.811 -5.258 -0.768 514 HD2 TYR 63 HD2 TYR 63 -9.539 -1.944 -0.839 515 HE1 TYR 63 HE1 TYR 63 -7.057 -5.518 -3.226 516 HE2 TYR 63 HE2 TYR 63 -9.772 -2.187 -3.282 517 HH TYR 63 HH TYR 63 -7.871 -4.524 -5.151 518 H VAL 64 H VAL 64 -7.281 0.076 1.626 519 HA VAL 64 HA VAL 64 -7.029 -0.164 4.565 520 HB VAL 64 HB VAL 64 -5.435 1.314 3.395 521 1HG1 VAL 64 1HG1 VAL 64 -6.892 2.243 1.611 522 2HG1 VAL 64 2HG1 VAL 64 -7.842 3.109 2.842 523 3HG1 VAL 64 3HG1 VAL 64 -6.136 3.507 2.589 524 1HG2 VAL 64 1HG2 VAL 64 -7.315 2.750 5.305 525 2HG2 VAL 64 2HG2 VAL 64 -6.072 1.566 5.770 526 3HG2 VAL 64 3HG2 VAL 64 -5.593 3.089 5.018 527 H TYR 65 H TYR 65 -8.673 0.550 5.884 528 HA TYR 65 HA TYR 65 -11.292 1.107 4.597 529 1HB TYR 65 1HB TYR 65 -10.868 -1.092 5.939 530 2HB TYR 65 2HB TYR 65 -10.885 -0.065 7.365 531 HD1 TYR 65 HD1 TYR 65 -12.865 -0.469 4.177 532 HD2 TYR 65 HD2 TYR 65 -13.009 -0.272 8.476 533 HE1 TYR 65 HE1 TYR 65 -15.321 -0.649 4.091 534 HE2 TYR 65 HE2 TYR 65 -15.472 -0.562 8.388 535 HH TYR 65 HH TYR 65 -17.242 -0.068 5.459 536 H ALA 66 H ALA 66 -11.955 3.144 4.882 537 HA ALA 66 HA ALA 66 -11.180 4.654 7.305 538 1HB ALA 66 1HB ALA 66 -9.411 5.131 5.615 539 2HB ALA 66 2HB ALA 66 -10.666 5.625 4.458 540 3HB ALA 66 3HB ALA 66 -10.413 6.557 5.952 541 H SER 67 H SER 67 -12.833 5.943 7.965 542 HA SER 67 HA SER 67 -15.055 6.461 8.209 543 1HB SER 67 1HB SER 67 -14.569 7.482 5.381 544 2HB SER 67 2HB SER 67 -15.914 7.970 6.421 545 HG SER 67 HG SER 67 -14.537 8.969 7.786 546 H ASP 68 H ASP 68 -14.816 3.814 7.706 547 HA ASP 68 HA ASP 68 -15.964 1.987 7.217 548 1HB ASP 68 1HB ASP 68 -17.806 3.492 8.154 549 2HB ASP 68 2HB ASP 68 -18.360 3.698 6.485 550 H LYS 69 H LYS 69 -14.690 3.690 4.855 551 HA LYS 69 HA LYS 69 -16.026 2.309 2.573 552 1HB LYS 69 1HB LYS 69 -15.096 5.080 2.985 553 2HB LYS 69 2HB LYS 69 -14.223 4.288 1.678 554 1HG LYS 69 1HG LYS 69 -16.021 5.368 0.678 555 2HG LYS 69 2HG LYS 69 -16.401 3.641 0.627 556 1HD LYS 69 1HD LYS 69 -17.920 3.930 2.589 557 2HD LYS 69 2HD LYS 69 -17.468 5.644 2.680 558 1HE LYS 69 1HE LYS 69 -18.331 5.972 0.338 559 2HE LYS 69 2HE LYS 69 -18.857 4.276 0.320 560 1HZ LYS 69 1HZ LYS 69 -20.293 4.784 2.165 561 2HZ LYS 69 2HZ LYS 69 -19.795 6.357 2.169 562 3HZ LYS 69 3HZ LYS 69 -20.625 5.759 0.877 563 H LEU 70 H LEU 70 -14.721 1.054 1.284 564 HA LEU 70 HA LEU 70 -12.005 0.428 2.301 565 1HB LEU 70 1HB LEU 70 -13.835 -1.359 2.038 566 2HB LEU 70 2HB LEU 70 -13.716 -1.072 0.312 567 HG LEU 70 HG LEU 70 -11.139 -1.526 0.659 568 1HD1 LEU 70 1HD1 LEU 70 -11.068 -1.537 3.090 569 2HD1 LEU 70 2HD1 LEU 70 -12.363 -2.755 3.166 570 3HD1 LEU 70 3HD1 LEU 70 -10.770 -3.182 2.529 571 1HD2 LEU 70 1HD2 LEU 70 -13.216 -3.747 0.847 572 2HD2 LEU 70 2HD2 LEU 70 -12.611 -2.984 -0.641 573 3HD2 LEU 70 3HD2 LEU 70 -11.519 -3.955 0.357 574 H PHE 71 H PHE 71 -10.322 1.262 1.239 575 HA PHE 71 HA PHE 71 -10.522 1.898 -1.683 576 1HB PHE 71 1HB PHE 71 -9.130 3.431 0.552 577 2HB PHE 71 2HB PHE 71 -8.806 3.664 -1.153 578 HD1 PHE 71 HD1 PHE 71 -10.250 4.934 -2.575 579 HD2 PHE 71 HD2 PHE 71 -11.327 4.176 1.531 580 HE1 PHE 71 HE1 PHE 71 -11.731 6.909 -2.601 581 HE2 PHE 71 HE2 PHE 71 -12.801 6.172 1.501 582 HZ PHE 71 HZ PHE 71 -13.012 7.538 -0.566 583 H ARG 72 H ARG 72 -8.494 1.612 -2.785 584 HA ARG 72 HA ARG 72 -6.665 -0.349 -1.480 585 1HB ARG 72 1HB ARG 72 -7.832 -0.711 -3.810 586 2HB ARG 72 2HB ARG 72 -6.577 0.384 -4.405 587 1HG ARG 72 1HG ARG 72 -4.842 -1.143 -3.354 588 2HG ARG 72 2HG ARG 72 -6.168 -2.201 -2.841 589 1HD ARG 72 1HD ARG 72 -6.836 -2.148 -5.396 590 2HD ARG 72 2HD ARG 72 -5.158 -1.622 -5.636 591 HE ARG 72 HE ARG 72 -5.160 -3.908 -3.941 592 1HH1 ARG 72 1HH1 ARG 72 -5.905 -3.055 -7.283 593 2HH1 ARG 72 2HH1 ARG 72 -5.607 -4.654 -7.909 594 1HH2 ARG 72 1HH2 ARG 72 -4.735 -5.996 -4.744 595 2HH2 ARG 72 2HH2 ARG 72 -4.911 -6.347 -6.437 596 H ALA 73 H ALA 73 -4.680 0.380 -0.867 597 HA ALA 73 HA ALA 73 -3.604 2.957 -1.974 598 1HB ALA 73 1HB ALA 73 -4.082 3.134 0.431 599 2HB ALA 73 2HB ALA 73 -3.173 1.641 0.745 600 3HB ALA 73 3HB ALA 73 -2.328 3.076 0.130 601 H ASP 74 H ASP 74 -1.879 2.700 -3.177 602 HA ASP 74 HA ASP 74 -0.200 0.227 -3.015 603 1HB ASP 74 1HB ASP 74 -1.490 0.496 -5.057 604 2HB ASP 74 2HB ASP 74 -0.699 2.053 -5.387 605 H ILE 75 H ILE 75 1.268 0.827 -1.683 606 HA ILE 75 HA ILE 75 2.534 3.546 -1.703 607 HB ILE 75 HB ILE 75 2.792 1.259 0.303 608 1HG1 ILE 75 1HG1 ILE 75 0.529 1.955 0.484 609 2HG1 ILE 75 2HG1 ILE 75 1.407 2.673 1.833 610 1HG2 ILE 75 1HG2 ILE 75 4.737 2.664 0.428 611 2HG2 ILE 75 2HG2 ILE 75 3.758 4.141 0.390 612 3HG2 ILE 75 3HG2 ILE 75 3.709 3.069 1.800 613 1HD1 ILE 75 1HD1 ILE 75 1.554 4.828 0.506 614 2HD1 ILE 75 2HD1 ILE 75 0.536 4.048 -0.734 615 3HD1 ILE 75 3HD1 ILE 75 -0.100 4.321 0.881 616 H SER 76 H SER 76 4.820 3.695 -2.020 617 HA SER 76 HA SER 76 6.201 1.131 -2.697 618 1HB SER 76 1HB SER 76 6.423 3.771 -4.139 619 2HB SER 76 2HB SER 76 7.588 2.429 -4.298 620 HG SER 76 HG SER 76 6.011 2.209 -5.900 621 H GLU 77 H GLU 77 8.263 0.949 -2.048 622 HA GLU 77 HA GLU 77 9.469 2.983 -0.218 623 1HB GLU 77 1HB GLU 77 8.549 1.135 1.063 624 2HB GLU 77 2HB GLU 77 9.387 -0.053 0.060 625 1HG GLU 77 1HG GLU 77 11.110 2.058 1.347 626 2HG GLU 77 2HG GLU 77 10.313 0.922 2.438 627 H ASP 78 H ASP 78 11.301 3.690 -1.116 628 HA ASP 78 HA ASP 78 12.610 2.120 -3.293 629 1HB ASP 78 1HB ASP 78 12.723 5.036 -2.441 630 2HB ASP 78 2HB ASP 78 13.827 4.299 -3.611 631 H TYR 79 H TYR 79 14.252 0.911 -2.628 632 HA TYR 79 HA TYR 79 15.024 0.728 0.078 633 1HB TYR 79 1HB TYR 79 14.949 -1.023 -1.822 634 2HB TYR 79 2HB TYR 79 16.502 -0.391 -2.346 635 HD1 TYR 79 HD1 TYR 79 18.157 -1.972 -1.832 636 HD2 TYR 79 HD2 TYR 79 14.861 -1.442 0.900 637 HE1 TYR 79 HE1 TYR 79 18.828 -4.016 -0.612 638 HE2 TYR 79 HE2 TYR 79 15.530 -3.484 2.102 639 HH TYR 79 HH TYR 79 16.952 -5.293 2.143 640 H LYS 80 H LYS 80 16.708 2.057 -2.770 641 HA LYS 80 HA LYS 80 19.164 2.561 -1.438 642 1HB LYS 80 1HB LYS 80 18.609 2.472 -3.994 643 2HB LYS 80 2HB LYS 80 18.127 4.150 -3.812 644 1HG LYS 80 1HG LYS 80 20.365 4.272 -4.533 645 2HG LYS 80 2HG LYS 80 20.444 4.593 -2.803 646 1HD LYS 80 1HD LYS 80 22.257 3.139 -3.356 647 2HD LYS 80 2HD LYS 80 21.106 2.153 -2.453 648 1HE LYS 80 1HE LYS 80 20.268 1.178 -4.600 649 2HE LYS 80 2HE LYS 80 21.372 2.231 -5.505 650 1HZ LYS 80 1HZ LYS 80 23.189 1.110 -4.448 651 2HZ LYS 80 2HZ LYS 80 22.155 0.157 -3.582 652 3HZ LYS 80 3HZ LYS 80 22.207 0.033 -5.225 653 H THR 81 H THR 81 16.416 4.788 -2.233 654 HA THR 81 HA THR 81 17.368 7.045 -0.845 655 HB THR 81 HB THR 81 14.443 6.258 -1.116 656 HG1 THR 81 HG1 THR 81 14.667 6.965 -3.331 657 1HG2 THR 81 1HG2 THR 81 15.017 8.492 -0.183 658 2HG2 THR 81 2HG2 THR 81 15.930 8.867 -1.661 659 3HG2 THR 81 3HG2 THR 81 14.171 8.620 -1.735 660 H ARG 82 H ARG 82 15.591 4.166 0.087 661 HA ARG 82 HA ARG 82 14.669 3.341 1.849 662 1HB ARG 82 1HB ARG 82 17.148 3.701 2.719 663 2HB ARG 82 2HB ARG 82 16.419 4.952 3.737 664 1HG ARG 82 1HG ARG 82 14.636 2.821 3.987 665 2HG ARG 82 2HG ARG 82 16.177 1.984 3.767 666 1HD ARG 82 1HD ARG 82 15.555 4.174 5.829 667 2HD ARG 82 2HD ARG 82 15.508 2.461 6.208 668 HE ARG 82 HE ARG 82 17.850 4.187 5.884 669 1HH1 ARG 82 1HH1 ARG 82 16.764 0.832 5.812 670 2HH1 ARG 82 2HH1 ARG 82 18.275 0.170 6.375 671 1HH2 ARG 82 1HH2 ARG 82 19.841 3.350 6.596 672 2HH2 ARG 82 2HH2 ARG 82 20.070 1.634 6.800 673 H GLY 83 H GLY 83 13.258 5.134 0.704 674 1HA GLY 83 1HA GLY 83 11.761 6.481 2.900 675 2HA GLY 83 2HA GLY 83 12.192 7.409 1.446 676 H ARG 84 H ARG 84 9.476 6.731 2.332 677 HA ARG 84 HA ARG 84 8.631 4.955 0.128 678 1HB ARG 84 1HB ARG 84 7.109 5.596 2.653 679 2HB ARG 84 2HB ARG 84 6.700 4.365 1.455 680 1HG ARG 84 1HG ARG 84 8.952 3.247 2.094 681 2HG ARG 84 2HG ARG 84 8.926 4.292 3.523 682 1HD ARG 84 1HD ARG 84 6.625 3.383 4.072 683 2HD ARG 84 2HD ARG 84 6.739 2.344 2.661 684 HE ARG 84 HE ARG 84 8.210 0.929 3.720 685 1HH1 ARG 84 1HH1 ARG 84 7.807 3.839 5.687 686 2HH1 ARG 84 2HH1 ARG 84 8.544 3.150 7.108 687 1HH2 ARG 84 1HH2 ARG 84 9.224 0.043 5.537 688 2HH2 ARG 84 2HH2 ARG 84 9.362 0.949 7.020 689 H LYS 85 H LYS 85 6.354 5.407 -0.519 690 HA LYS 85 HA LYS 85 5.296 8.053 -0.259 691 1HB LYS 85 1HB LYS 85 5.658 8.805 -2.555 692 2HB LYS 85 2HB LYS 85 7.196 8.518 -1.743 693 1HG LYS 85 1HG LYS 85 6.789 6.052 -2.941 694 2HG LYS 85 2HG LYS 85 5.957 7.133 -4.076 695 1HD LYS 85 1HD LYS 85 8.147 8.592 -3.813 696 2HD LYS 85 2HD LYS 85 8.854 7.101 -3.165 697 1HE LYS 85 1HE LYS 85 7.576 7.477 -5.933 698 2HE LYS 85 2HE LYS 85 9.313 7.405 -5.595 699 1HZ LYS 85 1HZ LYS 85 9.030 5.186 -4.806 700 2HZ LYS 85 2HZ LYS 85 7.405 5.236 -5.129 701 3HZ LYS 85 3HZ LYS 85 8.495 5.323 -6.361 702 H LEU 86 H LEU 86 3.249 8.300 -1.151 703 HA LEU 86 HA LEU 86 1.715 5.937 -1.714 704 1HB LEU 86 1HB LEU 86 0.774 8.028 -0.759 705 2HB LEU 86 2HB LEU 86 1.234 8.905 -2.225 706 HG LEU 86 HG LEU 86 -0.338 7.445 -3.548 707 1HD1 LEU 86 1HD1 LEU 86 -2.046 6.172 -2.210 708 2HD1 LEU 86 2HD1 LEU 86 -0.444 5.471 -2.134 709 3HD1 LEU 86 3HD1 LEU 86 -1.064 6.426 -0.759 710 1HD2 LEU 86 1HD2 LEU 86 -1.592 8.952 -1.216 711 2HD2 LEU 86 2HD2 LEU 86 -0.971 9.687 -2.712 712 3HD2 LEU 86 3HD2 LEU 86 -2.353 8.590 -2.780 713 H LEU 87 H LEU 87 1.876 4.785 -3.641 714 HA LEU 87 HA LEU 87 2.989 6.117 -6.027 715 1HB LEU 87 1HB LEU 87 3.534 3.690 -5.186 716 2HB LEU 87 2HB LEU 87 1.985 3.266 -5.886 717 HG LEU 87 HG LEU 87 2.827 4.401 -8.068 718 1HD1 LEU 87 1HD1 LEU 87 4.775 5.604 -7.224 719 2HD1 LEU 87 2HD1 LEU 87 5.490 4.099 -6.626 720 3HD1 LEU 87 3HD1 LEU 87 5.289 4.363 -8.368 721 1HD2 LEU 87 1HD2 LEU 87 4.148 1.846 -7.058 722 2HD2 LEU 87 2HD2 LEU 87 2.550 1.969 -7.806 723 3HD2 LEU 87 3HD2 LEU 87 3.996 2.339 -8.757 724 H ARG 88 H ARG 88 0.044 4.307 -4.992 725 HA ARG 88 HA ARG 88 -1.610 6.169 -6.572 726 1HB ARG 88 1HB ARG 88 -1.863 3.142 -6.983 727 2HB ARG 88 2HB ARG 88 -2.991 4.372 -7.510 728 1HG ARG 88 1HG ARG 88 -1.920 4.044 -9.460 729 2HG ARG 88 2HG ARG 88 -0.977 5.391 -8.826 730 1HD ARG 88 1HD ARG 88 0.560 3.732 -9.738 731 2HD ARG 88 2HD ARG 88 0.711 3.716 -7.992 732 HE ARG 88 HE ARG 88 -0.002 1.582 -7.869 733 1HH1 ARG 88 1HH1 ARG 88 -0.918 2.825 -11.039 734 2HH1 ARG 88 2HH1 ARG 88 -1.269 1.254 -11.710 735 1HH2 ARG 88 1HH2 ARG 88 -0.410 -0.427 -8.684 736 2HH2 ARG 88 2HH2 ARG 88 -0.994 -0.662 -10.319 737 H PHE 89 H PHE 89 -3.820 6.134 -5.913 738 HA PHE 89 HA PHE 89 -4.554 4.455 -3.626 739 1HB PHE 89 1HB PHE 89 -3.923 6.926 -2.928 740 2HB PHE 89 2HB PHE 89 -5.406 7.363 -3.734 741 HD1 PHE 89 HD1 PHE 89 -7.608 6.557 -2.829 742 HD2 PHE 89 HD2 PHE 89 -3.892 5.741 -0.794 743 HE1 PHE 89 HE1 PHE 89 -8.802 6.400 -0.671 744 HE2 PHE 89 HE2 PHE 89 -5.120 5.539 1.353 745 HZ PHE 89 HZ PHE 89 -7.578 5.963 1.414 746 H ASN 90 H ASN 90 -6.634 3.599 -4.125 747 HA ASN 90 HA ASN 90 -8.177 4.841 -6.347 748 1HB ASN 90 1HB ASN 90 -7.262 1.945 -6.112 749 2HB ASN 90 2HB ASN 90 -8.402 2.559 -7.292 750 1HD2 ASN 90 1HD2 ASN 90 -7.589 4.195 -8.915 751 2HD2 ASN 90 2HD2 ASN 90 -5.891 4.125 -9.344 752 H GLY 91 H GLY 91 -10.370 4.178 -6.327 753 1HA GLY 91 1HA GLY 91 -12.009 2.601 -5.388 754 2HA GLY 91 2HA GLY 91 -11.313 2.904 -3.796 755 HA PRO 92 HA PRO 92 -12.923 3.008 -2.354 756 1HB PRO 92 1HB PRO 92 -15.549 2.917 -1.689 757 2HB PRO 92 2HB PRO 92 -14.427 4.183 -1.112 758 1HG PRO 92 1HG PRO 92 -16.339 4.336 -3.469 759 2HG PRO 92 2HG PRO 92 -16.153 5.524 -2.144 760 1HD PRO 92 1HD PRO 92 -14.900 5.817 -4.560 761 2HD PRO 92 2HD PRO 92 -14.107 6.317 -3.044 762 H VAL 93 H VAL 93 -13.646 0.771 -2.429 763 HA VAL 93 HA VAL 93 -15.357 -0.027 -4.705 764 HB VAL 93 HB VAL 93 -13.784 -2.026 -5.059 765 1HG1 VAL 93 1HG1 VAL 93 -14.191 -0.320 -6.769 766 2HG1 VAL 93 2HG1 VAL 93 -12.899 0.686 -6.087 767 3HG1 VAL 93 3HG1 VAL 93 -12.514 -0.890 -6.794 768 1HG2 VAL 93 1HG2 VAL 93 -11.689 -0.094 -3.958 769 2HG2 VAL 93 2HG2 VAL 93 -12.205 -1.608 -3.181 770 3HG2 VAL 93 3HG2 VAL 93 -11.407 -1.647 -4.761 771 HA PRO 94 HA PRO 94 -16.798 -2.453 -1.236 772 1HB PRO 94 1HB PRO 94 -18.722 -3.986 -2.428 773 2HB PRO 94 2HB PRO 94 -18.925 -2.224 -2.185 774 1HG PRO 94 1HG PRO 94 -17.976 -3.653 -4.687 775 2HG PRO 94 2HG PRO 94 -19.253 -2.407 -4.561 776 1HD PRO 94 1HD PRO 94 -16.677 -1.815 -5.270 777 2HD PRO 94 2HD PRO 94 -17.653 -0.682 -4.283 778 HA PRO 95 HA PRO 95 -14.485 -6.276 -1.900 779 1HB PRO 95 1HB PRO 95 -15.500 -7.925 0.042 780 2HB PRO 95 2HB PRO 95 -14.472 -6.512 0.427 781 1HG PRO 95 1HG PRO 95 -17.502 -6.656 0.441 782 2HG PRO 95 2HG PRO 95 -16.435 -6.037 1.737 783 1HD PRO 95 1HD PRO 95 -17.623 -4.386 -0.082 784 2HD PRO 95 2HD PRO 95 -15.966 -4.057 0.509 785 HA PRO 96 HA PRO 96 -17.290 -8.606 -4.502 786 1HB PRO 96 1HB PRO 96 -16.116 -11.075 -4.655 787 2HB PRO 96 2HB PRO 96 -15.412 -9.618 -5.412 788 1HG PRO 96 1HG PRO 96 -14.707 -10.814 -2.716 789 2HG PRO 96 2HG PRO 96 -13.585 -10.345 -4.027 790 1HD PRO 96 1HD PRO 96 -14.097 -8.689 -1.934 791 2HD PRO 96 2HD PRO 96 -13.920 -8.027 -3.587 Start of MODEL 18 1 1H GLY 1 1H GLY 1 12.716 -14.800 -4.475 2 2H GLY 1 2H GLY 1 12.921 -13.314 -5.157 3 3H GLY 1 3H GLY 1 13.013 -14.674 -6.098 4 1HA GLY 1 1HA GLY 1 10.917 -13.562 -6.423 5 2HA GLY 1 2HA GLY 1 10.723 -15.174 -5.727 6 H GLU 2 H GLU 2 9.772 -11.981 -5.399 7 HA GLU 2 HA GLU 2 8.881 -12.344 -2.572 8 1HB GLU 2 1HB GLU 2 10.364 -9.998 -3.781 9 2HB GLU 2 2HB GLU 2 9.457 -9.906 -2.253 10 1HG GLU 2 1HG GLU 2 10.911 -11.729 -1.332 11 2HG GLU 2 2HG GLU 2 11.873 -11.701 -2.809 12 H TRP 3 H TRP 3 6.850 -12.829 -3.407 13 HA TRP 3 HA TRP 3 5.167 -10.515 -3.655 14 1HB TRP 3 1HB TRP 3 5.493 -10.654 -5.957 15 2HB TRP 3 2HB TRP 3 5.469 -12.424 -5.946 16 HD1 TRP 3 HD1 TRP 3 3.429 -13.370 -7.013 17 HE1 TRP 3 HE1 TRP 3 1.066 -12.608 -7.579 18 HE3 TRP 3 HE3 TRP 3 3.347 -8.991 -4.403 19 HZ2 TRP 3 HZ2 TRP 3 -0.588 -10.254 -7.141 20 HZ3 TRP 3 HZ3 TRP 3 1.469 -7.422 -4.613 21 HH2 TRP 3 HH2 TRP 3 -0.532 -8.049 -5.977 22 H GLU 4 H GLU 4 3.811 -11.060 -1.955 23 HA GLU 4 HA GLU 4 2.277 -13.451 -2.088 24 1HB GLU 4 1HB GLU 4 4.715 -14.055 -1.028 25 2HB GLU 4 2HB GLU 4 3.975 -13.386 0.422 26 1HG GLU 4 1HG GLU 4 3.763 -15.805 0.357 27 2HG GLU 4 2HG GLU 4 2.152 -15.121 0.207 28 H ILE 5 H ILE 5 0.908 -13.601 -0.094 29 HA ILE 5 HA ILE 5 -0.141 -11.007 0.651 30 HB ILE 5 HB ILE 5 -0.780 -13.652 1.964 31 1HG1 ILE 5 1HG1 ILE 5 -2.848 -13.270 0.152 32 2HG1 ILE 5 2HG1 ILE 5 -1.452 -12.806 -0.813 33 1HG2 ILE 5 1HG2 ILE 5 -1.674 -11.617 3.052 34 2HG2 ILE 5 2HG2 ILE 5 -2.494 -11.185 1.535 35 3HG2 ILE 5 3HG2 ILE 5 -2.951 -12.655 2.416 36 1HD1 ILE 5 1HD1 ILE 5 -0.406 -15.040 -0.260 37 2HD1 ILE 5 2HD1 ILE 5 -1.847 -15.433 0.699 38 3HD1 ILE 5 3HD1 ILE 5 -1.981 -15.198 -1.054 39 H ILE 6 H ILE 6 0.148 -9.982 2.679 40 HA ILE 6 HA ILE 6 2.103 -11.226 4.549 41 HB ILE 6 HB ILE 6 2.990 -8.987 4.964 42 1HG1 ILE 6 1HG1 ILE 6 2.840 -7.322 3.025 43 2HG1 ILE 6 2HG1 ILE 6 1.336 -8.108 2.562 44 1HG2 ILE 6 1HG2 ILE 6 4.079 -10.666 3.475 45 2HG2 ILE 6 2HG2 ILE 6 3.313 -9.880 2.078 46 3HG2 ILE 6 3HG2 ILE 6 4.489 -8.998 3.069 47 1HD1 ILE 6 1HD1 ILE 6 0.358 -7.467 4.761 48 2HD1 ILE 6 2HD1 ILE 6 1.939 -6.846 5.287 49 3HD1 ILE 6 3HD1 ILE 6 1.066 -6.060 3.960 50 H ASP 7 H ASP 7 1.927 -10.478 6.747 51 HA ASP 7 HA ASP 7 -0.787 -10.668 7.602 52 1HB ASP 7 1HB ASP 7 1.764 -10.017 9.147 53 2HB ASP 7 2HB ASP 7 0.205 -10.433 9.870 54 H ILE 8 H ILE 8 -2.005 -9.151 8.731 55 HA ILE 8 HA ILE 8 -1.372 -6.304 8.358 56 HB ILE 8 HB ILE 8 -3.692 -6.296 9.631 57 1HG1 ILE 8 1HG1 ILE 8 -5.265 -7.941 8.769 58 2HG1 ILE 8 2HG1 ILE 8 -3.965 -8.917 8.097 59 1HG2 ILE 8 1HG2 ILE 8 -3.152 -5.325 7.400 60 2HG2 ILE 8 2HG2 ILE 8 -3.359 -6.931 6.672 61 3HG2 ILE 8 3HG2 ILE 8 -4.742 -6.088 7.394 62 1HD1 ILE 8 1HD1 ILE 8 -3.172 -9.435 10.377 63 2HD1 ILE 8 2HD1 ILE 8 -4.321 -8.262 11.063 64 3HD1 ILE 8 3HD1 ILE 8 -4.906 -9.737 10.272 65 H GLY 9 H GLY 9 -0.772 -5.000 10.077 66 1HA GLY 9 1HA GLY 9 -0.733 -5.630 12.819 67 2HA GLY 9 2HA GLY 9 0.737 -6.278 12.043 68 HA PRO 10 HA PRO 10 1.053 -1.716 13.256 69 1HB PRO 10 1HB PRO 10 3.744 -1.771 14.001 70 2HB PRO 10 2HB PRO 10 2.335 -2.015 15.069 71 1HG PRO 10 1HG PRO 10 4.031 -4.126 13.726 72 2HG PRO 10 2HG PRO 10 3.450 -4.085 15.416 73 1HD PRO 10 1HD PRO 10 2.189 -5.578 13.582 74 2HD PRO 10 2HD PRO 10 1.217 -4.628 14.738 75 H PHE 11 H PHE 11 3.510 -3.561 11.390 76 HA PHE 11 HA PHE 11 4.560 -1.421 9.910 77 1HB PHE 11 1HB PHE 11 5.552 -3.646 9.998 78 2HB PHE 11 2HB PHE 11 4.167 -4.352 9.186 79 HD1 PHE 11 HD1 PHE 11 3.893 -4.214 6.781 80 HD2 PHE 11 HD2 PHE 11 7.144 -2.167 8.753 81 HE1 PHE 11 HE1 PHE 11 5.003 -3.875 4.607 82 HE2 PHE 11 HE2 PHE 11 8.272 -1.864 6.566 83 HZ PHE 11 HZ PHE 11 7.209 -2.711 4.490 84 H THR 12 H THR 12 1.877 -3.684 9.001 85 HA THR 12 HA THR 12 1.299 -2.440 6.546 86 HB THR 12 HB THR 12 -0.738 -3.975 8.144 87 HG1 THR 12 HG1 THR 12 0.645 -5.901 7.550 88 1HG2 THR 12 1HG2 THR 12 -1.208 -3.466 5.786 89 2HG2 THR 12 2HG2 THR 12 0.337 -4.203 5.289 90 3HG2 THR 12 3HG2 THR 12 -0.951 -5.217 5.989 91 H GLN 13 H GLN 13 -0.035 -2.023 9.837 92 HA GLN 13 HA GLN 13 -2.085 -0.150 9.233 93 1HB GLN 13 1HB GLN 13 -0.370 -0.739 11.663 94 2HB GLN 13 2HB GLN 13 -1.627 0.489 11.667 95 1HG GLN 13 1HG GLN 13 -3.353 -1.100 11.144 96 2HG GLN 13 2HG GLN 13 -2.186 -2.400 10.871 97 1HE2 GLN 13 1HE2 GLN 13 -4.493 -2.226 12.818 98 2HE2 GLN 13 2HE2 GLN 13 -3.741 -2.523 14.370 99 H ASN 14 H ASN 14 1.386 0.315 10.140 100 HA ASN 14 HA ASN 14 1.504 3.112 10.003 101 1HB ASN 14 1HB ASN 14 3.320 1.845 10.849 102 2HB ASN 14 2HB ASN 14 3.565 0.971 9.353 103 1HD2 ASN 14 1HD2 ASN 14 5.540 2.494 10.873 104 2HD2 ASN 14 2HD2 ASN 14 6.158 3.672 9.723 105 H LEU 15 H LEU 15 2.064 0.765 7.316 106 HA LEU 15 HA LEU 15 2.315 2.743 5.286 107 1HB LEU 15 1HB LEU 15 1.446 -0.153 5.267 108 2HB LEU 15 2HB LEU 15 1.389 0.801 3.782 109 HG LEU 15 HG LEU 15 3.932 0.640 5.446 110 1HD1 LEU 15 1HD1 LEU 15 3.291 -1.649 4.858 111 2HD1 LEU 15 2HD1 LEU 15 3.023 -1.164 3.170 112 3HD1 LEU 15 3HD1 LEU 15 4.662 -1.124 3.858 113 1HD2 LEU 15 1HD2 LEU 15 3.374 1.225 2.493 114 2HD2 LEU 15 2HD2 LEU 15 3.802 2.449 3.702 115 3HD2 LEU 15 3HD2 LEU 15 4.972 1.204 3.248 116 H GLY 16 H GLY 16 -0.589 1.128 6.558 117 1HA GLY 16 1HA GLY 16 -2.516 2.244 4.803 118 2HA GLY 16 2HA GLY 16 -2.801 1.702 6.463 119 H LYS 17 H LYS 17 -1.423 3.473 8.055 120 HA LYS 17 HA LYS 17 -3.026 5.797 8.125 121 1HB LYS 17 1HB LYS 17 -0.417 4.820 9.411 122 2HB LYS 17 2HB LYS 17 -0.873 6.491 9.522 123 1HG LYS 17 1HG LYS 17 -1.667 5.684 11.493 124 2HG LYS 17 2HG LYS 17 -3.134 5.719 10.502 125 1HD LYS 17 1HD LYS 17 -2.880 3.314 10.034 126 2HD LYS 17 2HD LYS 17 -1.348 3.275 10.931 127 1HE LYS 17 1HE LYS 17 -4.007 4.039 12.207 128 2HE LYS 17 2HE LYS 17 -3.338 2.398 12.221 129 1HZ LYS 17 1HZ LYS 17 -1.416 3.249 13.351 130 2HZ LYS 17 2HZ LYS 17 -2.050 4.769 13.370 131 3HZ LYS 17 3HZ LYS 17 -2.791 3.559 14.204 132 H PHE 18 H PHE 18 0.282 5.171 6.968 133 HA PHE 18 HA PHE 18 0.885 7.833 6.218 134 1HB PHE 18 1HB PHE 18 2.705 6.322 6.376 135 2HB PHE 18 2HB PHE 18 1.873 5.069 5.482 136 HD1 PHE 18 HD1 PHE 18 3.830 8.183 5.096 137 HD2 PHE 18 HD2 PHE 18 1.753 4.974 3.091 138 HE1 PHE 18 HE1 PHE 18 4.611 9.037 2.898 139 HE2 PHE 18 HE2 PHE 18 2.356 5.958 0.907 140 HZ PHE 18 HZ PHE 18 3.827 7.935 0.814 141 H ALA 19 H ALA 19 -0.579 5.196 4.302 142 HA ALA 19 HA ALA 19 -0.815 6.666 1.897 143 1HB ALA 19 1HB ALA 19 -1.141 4.236 2.028 144 2HB ALA 19 2HB ALA 19 -2.630 4.458 2.967 145 3HB ALA 19 3HB ALA 19 -2.551 5.026 1.289 146 H VAL 20 H VAL 20 -3.121 6.261 4.597 147 HA VAL 20 HA VAL 20 -5.115 7.977 3.405 148 HB VAL 20 HB VAL 20 -4.687 7.085 6.272 149 1HG1 VAL 20 1HG1 VAL 20 -6.006 9.122 6.391 150 2HG1 VAL 20 2HG1 VAL 20 -6.987 8.632 4.986 151 3HG1 VAL 20 3HG1 VAL 20 -7.143 7.780 6.525 152 1HG2 VAL 20 1HG2 VAL 20 -6.660 5.608 5.690 153 2HG2 VAL 20 2HG2 VAL 20 -6.617 6.232 4.039 154 3HG2 VAL 20 3HG2 VAL 20 -5.265 5.267 4.654 155 H ASP 21 H ASP 21 -2.352 8.630 5.572 156 HA ASP 21 HA ASP 21 -3.002 11.307 6.216 157 1HB ASP 21 1HB ASP 21 -1.355 10.144 7.499 158 2HB ASP 21 2HB ASP 21 -0.366 9.793 6.081 159 H GLU 22 H GLU 22 -0.974 9.912 3.631 160 HA GLU 22 HA GLU 22 -0.287 12.349 2.348 161 1HB GLU 22 1HB GLU 22 0.801 10.131 2.013 162 2HB GLU 22 2HB GLU 22 -0.609 9.574 1.112 163 1HG GLU 22 1HG GLU 22 0.100 10.610 -0.783 164 2HG GLU 22 2HG GLU 22 0.339 12.145 0.049 165 H GLU 23 H GLU 23 -2.957 10.014 1.758 166 HA GLU 23 HA GLU 23 -4.215 11.351 -0.358 167 1HB GLU 23 1HB GLU 23 -4.711 9.041 0.664 168 2HB GLU 23 2HB GLU 23 -5.716 9.882 1.852 169 1HG GLU 23 1HG GLU 23 -6.034 9.922 -1.185 170 2HG GLU 23 2HG GLU 23 -6.998 8.993 -0.030 171 H ASN 24 H ASN 24 -4.704 11.740 3.177 172 HA ASN 24 HA ASN 24 -6.713 13.753 3.110 173 1HB ASN 24 1HB ASN 24 -4.657 12.762 5.106 174 2HB ASN 24 2HB ASN 24 -5.371 14.329 5.364 175 1HD2 ASN 24 1HD2 ASN 24 -6.287 10.938 4.711 176 2HD2 ASN 24 2HD2 ASN 24 -7.740 10.991 5.724 177 H LYS 25 H LYS 25 -3.126 13.940 3.245 178 HA LYS 25 HA LYS 25 -3.020 16.738 3.559 179 1HB LYS 25 1HB LYS 25 -1.214 15.087 4.017 180 2HB LYS 25 2HB LYS 25 -0.914 14.946 2.276 181 1HG LYS 25 1HG LYS 25 -0.260 17.300 2.163 182 2HG LYS 25 2HG LYS 25 -0.804 17.573 3.830 183 1HD LYS 25 1HD LYS 25 0.896 15.978 4.671 184 2HD LYS 25 2HD LYS 25 1.469 15.703 3.014 185 1HE LYS 25 1HE LYS 25 2.117 18.080 2.821 186 2HE LYS 25 2HE LYS 25 1.456 18.413 4.435 187 1HZ LYS 25 1HZ LYS 25 3.071 16.926 5.350 188 2HZ LYS 25 2HZ LYS 25 3.688 16.597 3.859 189 3HZ LYS 25 3HZ LYS 25 3.813 18.116 4.487 190 H ILE 26 H ILE 26 -3.093 14.745 0.592 191 HA ILE 26 HA ILE 26 -2.902 17.068 -1.172 192 HB ILE 26 HB ILE 26 -3.845 14.238 -1.742 193 1HG1 ILE 26 1HG1 ILE 26 -1.124 15.526 -2.293 194 2HG1 ILE 26 2HG1 ILE 26 -1.431 14.486 -0.906 195 1HG2 ILE 26 1HG2 ILE 26 -4.584 16.012 -3.408 196 2HG2 ILE 26 2HG2 ILE 26 -2.886 16.425 -3.656 197 3HG2 ILE 26 3HG2 ILE 26 -3.490 14.815 -4.101 198 1HD1 ILE 26 1HD1 ILE 26 -2.096 12.632 -2.427 199 2HD1 ILE 26 2HD1 ILE 26 -1.607 13.635 -3.815 200 3HD1 ILE 26 3HD1 ILE 26 -0.411 13.155 -2.604 201 H GLY 27 H GLY 27 -5.589 14.918 -0.140 202 1HA GLY 27 1HA GLY 27 -7.650 15.578 0.596 203 2HA GLY 27 2HA GLY 27 -7.473 17.169 -0.138 204 H GLN 28 H GLN 28 -6.743 14.507 -2.250 205 HA GLN 28 HA GLN 28 -8.631 15.250 -4.190 206 1HB GLN 28 1HB GLN 28 -7.091 12.687 -3.689 207 2HB GLN 28 2HB GLN 28 -8.234 12.813 -5.038 208 1HG GLN 28 1HG GLN 28 -7.077 14.695 -5.994 209 2HG GLN 28 2HG GLN 28 -5.999 14.811 -4.599 210 1HE2 GLN 28 1HE2 GLN 28 -4.525 14.745 -6.707 211 2HE2 GLN 28 2HE2 GLN 28 -3.929 13.138 -7.085 212 H TYR 29 H TYR 29 -8.943 12.776 -1.654 213 HA TYR 29 HA TYR 29 -11.888 12.559 -2.276 214 1HB TYR 29 1HB TYR 29 -9.980 10.584 -0.987 215 2HB TYR 29 2HB TYR 29 -11.730 10.485 -0.913 216 HD1 TYR 29 HD1 TYR 29 -13.095 9.824 -2.777 217 HD2 TYR 29 HD2 TYR 29 -8.823 10.206 -3.211 218 HE1 TYR 29 HE1 TYR 29 -13.165 8.337 -4.749 219 HE2 TYR 29 HE2 TYR 29 -8.897 8.693 -5.184 220 HH TYR 29 HH TYR 29 -11.872 6.939 -6.039 221 H GLY 30 H GLY 30 -10.646 14.764 -0.898 222 1HA GLY 30 1HA GLY 30 -11.078 16.049 0.957 223 2HA GLY 30 2HA GLY 30 -12.360 14.904 1.400 224 H ARG 31 H ARG 31 -11.821 14.870 3.593 225 HA ARG 31 HA ARG 31 -9.052 14.151 4.405 226 1HB ARG 31 1HB ARG 31 -11.305 15.679 5.751 227 2HB ARG 31 2HB ARG 31 -9.767 15.285 6.529 228 1HG ARG 31 1HG ARG 31 -8.507 16.668 5.068 229 2HG ARG 31 2HG ARG 31 -9.790 16.746 3.859 230 1HD ARG 31 1HD ARG 31 -11.212 18.024 5.423 231 2HD ARG 31 2HD ARG 31 -9.842 18.122 6.558 232 HE ARG 31 HE ARG 31 -8.747 18.999 4.218 233 1HH1 ARG 31 1HH1 ARG 31 -11.614 20.016 6.020 234 2HH1 ARG 31 2HH1 ARG 31 -11.670 21.603 5.306 235 1HH2 ARG 31 1HH2 ARG 31 -8.802 21.063 3.290 236 2HH2 ARG 31 2HH2 ARG 31 -10.023 22.219 3.744 237 H LEU 32 H LEU 32 -9.587 11.865 3.961 238 HA LEU 32 HA LEU 32 -11.843 10.617 5.241 239 1HB LEU 32 1HB LEU 32 -9.345 9.370 4.065 240 2HB LEU 32 2HB LEU 32 -10.844 8.515 4.429 241 HG LEU 32 HG LEU 32 -10.660 10.766 2.379 242 1HD1 LEU 32 1HD1 LEU 32 -9.258 8.855 1.731 243 2HD1 LEU 32 2HD1 LEU 32 -10.617 7.745 2.014 244 3HD1 LEU 32 3HD1 LEU 32 -10.705 8.952 0.713 245 1HD2 LEU 32 1HD2 LEU 32 -12.811 8.670 2.975 246 2HD2 LEU 32 2HD2 LEU 32 -12.952 10.420 3.261 247 3HD2 LEU 32 3HD2 LEU 32 -12.829 9.804 1.610 248 H THR 33 H THR 33 -11.991 9.387 7.081 249 HA THR 33 HA THR 33 -9.812 9.651 9.053 250 HB THR 33 HB THR 33 -12.639 8.577 9.415 251 HG1 THR 33 HG1 THR 33 -13.028 10.744 10.137 252 1HG2 THR 33 1HG2 THR 33 -11.037 8.051 11.253 253 2HG2 THR 33 2HG2 THR 33 -10.618 9.774 11.371 254 3HG2 THR 33 3HG2 THR 33 -12.257 9.224 11.770 255 H PHE 34 H PHE 34 -8.295 8.031 8.702 256 HA PHE 34 HA PHE 34 -8.678 5.424 7.743 257 1HB PHE 34 1HB PHE 34 -6.497 6.251 8.096 258 2HB PHE 34 2HB PHE 34 -6.745 6.490 9.832 259 HD1 PHE 34 HD1 PHE 34 -5.665 4.192 7.217 260 HD2 PHE 34 HD2 PHE 34 -6.951 4.434 11.334 261 HE1 PHE 34 HE1 PHE 34 -4.764 1.931 7.641 262 HE2 PHE 34 HE2 PHE 34 -6.042 2.180 11.743 263 HZ PHE 34 HZ PHE 34 -4.863 0.953 9.918 264 H ASN 35 H ASN 35 -9.514 3.616 8.526 265 HA ASN 35 HA ASN 35 -10.604 3.587 11.326 266 1HB ASN 35 1HB ASN 35 -12.100 3.297 9.172 267 2HB ASN 35 2HB ASN 35 -11.470 1.667 9.151 268 1HD2 ASN 35 1HD2 ASN 35 -13.170 4.017 11.258 269 2HD2 ASN 35 2HD2 ASN 35 -13.996 2.786 12.190 270 H LYS 36 H LYS 36 -9.480 1.291 8.837 271 HA LYS 36 HA LYS 36 -7.286 0.276 10.363 272 1HB LYS 36 1HB LYS 36 -8.090 -1.995 10.790 273 2HB LYS 36 2HB LYS 36 -8.914 -0.784 11.764 274 1HG LYS 36 1HG LYS 36 -10.887 -0.886 10.219 275 2HG LYS 36 2HG LYS 36 -10.024 -2.069 9.230 276 1HD LYS 36 1HD LYS 36 -11.456 -3.372 10.589 277 2HD LYS 36 2HD LYS 36 -9.844 -3.557 11.283 278 1HE LYS 36 1HE LYS 36 -11.405 -3.278 13.091 279 2HE LYS 36 2HE LYS 36 -10.471 -1.782 13.013 280 1HZ LYS 36 1HZ LYS 36 -12.314 -0.782 11.832 281 2HZ LYS 36 2HZ LYS 36 -13.149 -2.201 11.874 282 3HZ LYS 36 3HZ LYS 36 -12.811 -1.399 13.271 283 H VAL 37 H VAL 37 -6.272 -1.628 9.172 284 HA VAL 37 HA VAL 37 -7.040 -1.699 6.307 285 HB VAL 37 HB VAL 37 -4.915 -0.652 6.727 286 1HG1 VAL 37 1HG1 VAL 37 -4.191 -1.679 8.823 287 2HG1 VAL 37 2HG1 VAL 37 -4.009 -3.252 8.023 288 3HG1 VAL 37 3HG1 VAL 37 -2.959 -1.899 7.575 289 1HG2 VAL 37 1HG2 VAL 37 -4.565 -3.400 5.460 290 2HG2 VAL 37 2HG2 VAL 37 -5.214 -1.951 4.659 291 3HG2 VAL 37 3HG2 VAL 37 -3.529 -1.983 5.200 292 H ILE 38 H ILE 38 -7.251 -3.705 5.333 293 HA ILE 38 HA ILE 38 -6.990 -6.107 7.021 294 HB ILE 38 HB ILE 38 -9.320 -6.838 6.534 295 1HG1 ILE 38 1HG1 ILE 38 -11.041 -5.022 6.324 296 2HG1 ILE 38 2HG1 ILE 38 -9.781 -3.903 5.802 297 1HG2 ILE 38 1HG2 ILE 38 -8.556 -6.007 8.744 298 2HG2 ILE 38 2HG2 ILE 38 -9.161 -4.390 8.312 299 3HG2 ILE 38 3HG2 ILE 38 -10.278 -5.757 8.436 300 1HD1 ILE 38 1HD1 ILE 38 -9.402 -5.248 3.790 301 2HD1 ILE 38 2HD1 ILE 38 -10.437 -6.553 4.432 302 3HD1 ILE 38 3HD1 ILE 38 -11.145 -5.003 3.970 303 H ARG 39 H ARG 39 -7.678 -8.078 5.737 304 HA ARG 39 HA ARG 39 -5.832 -8.222 3.579 305 1HB ARG 39 1HB ARG 39 -6.902 -10.557 3.311 306 2HB ARG 39 2HB ARG 39 -6.089 -10.212 4.828 307 1HG ARG 39 1HG ARG 39 -9.048 -9.638 4.641 308 2HG ARG 39 2HG ARG 39 -8.547 -11.319 4.665 309 1HD ARG 39 1HD ARG 39 -7.918 -11.319 6.815 310 2HD ARG 39 2HD ARG 39 -7.204 -9.705 6.776 311 HE ARG 39 HE ARG 39 -10.012 -9.411 6.549 312 1HH1 ARG 39 1HH1 ARG 39 -7.645 -10.547 8.912 313 2HH1 ARG 39 2HH1 ARG 39 -8.606 -10.114 10.298 314 1HH2 ARG 39 1HH2 ARG 39 -11.278 -8.823 8.350 315 2HH2 ARG 39 2HH2 ARG 39 -10.710 -9.117 9.970 316 HA PRO 40 HA PRO 40 -5.635 -9.731 1.618 317 1HB PRO 40 1HB PRO 40 -5.139 -9.283 -1.017 318 2HB PRO 40 2HB PRO 40 -6.390 -10.430 -0.451 319 1HG PRO 40 1HG PRO 40 -6.791 -7.544 -1.304 320 2HG PRO 40 2HG PRO 40 -7.684 -8.983 -1.878 321 1HD PRO 40 1HD PRO 40 -8.688 -7.435 0.135 322 2HD PRO 40 2HD PRO 40 -8.821 -9.205 0.208 323 H CYS 41 H CYS 41 -3.555 -9.056 1.929 324 HA CYS 41 HA CYS 41 -2.765 -6.269 1.243 325 1HB CYS 41 1HB CYS 41 -2.203 -7.832 3.822 326 2HB CYS 41 2HB CYS 41 -1.336 -6.379 3.281 327 HG CYS 41 HG CYS 41 -2.674 -5.193 4.696 328 H MET 42 H MET 42 -1.056 -6.358 -0.108 329 HA MET 42 HA MET 42 0.624 -8.836 -0.191 330 1HB MET 42 1HB MET 42 -1.585 -8.418 -1.820 331 2HB MET 42 2HB MET 42 -0.283 -7.795 -2.828 332 1HG MET 42 1HG MET 42 0.898 -9.939 -2.651 333 2HG MET 42 2HG MET 42 -0.270 -10.518 -1.462 334 1HE MET 42 1HE MET 42 -2.754 -11.140 -1.895 335 2HE MET 42 2HE MET 42 -3.151 -9.672 -2.824 336 3HE MET 42 3HE MET 42 -3.459 -11.271 -3.522 337 H LYS 43 H LYS 43 2.732 -8.524 -0.801 338 HA LYS 43 HA LYS 43 3.508 -5.739 -1.564 339 1HB LYS 43 1HB LYS 43 5.382 -5.793 -0.219 340 2HB LYS 43 2HB LYS 43 4.087 -6.407 0.826 341 1HG LYS 43 1HG LYS 43 4.872 -8.727 0.407 342 2HG LYS 43 2HG LYS 43 6.195 -8.134 -0.600 343 1HD LYS 43 1HD LYS 43 5.894 -7.213 2.270 344 2HD LYS 43 2HD LYS 43 6.768 -8.687 1.826 345 1HE LYS 43 1HE LYS 43 8.315 -7.449 0.402 346 2HE LYS 43 2HE LYS 43 7.442 -5.936 0.679 347 1HZ LYS 43 1HZ LYS 43 8.001 -6.095 2.987 348 2HZ LYS 43 2HZ LYS 43 8.824 -7.504 2.734 349 3HZ LYS 43 3HZ LYS 43 9.353 -6.099 2.051 350 H LYS 44 H LYS 44 5.062 -5.541 -3.174 351 HA LYS 44 HA LYS 44 6.267 -8.044 -4.231 352 1HB LYS 44 1HB LYS 44 4.290 -7.374 -5.613 353 2HB LYS 44 2HB LYS 44 5.110 -5.874 -6.032 354 1HG LYS 44 1HG LYS 44 6.793 -7.025 -7.256 355 2HG LYS 44 2HG LYS 44 6.454 -8.574 -6.464 356 1HD LYS 44 1HD LYS 44 4.239 -8.699 -7.548 357 2HD LYS 44 2HD LYS 44 4.543 -7.171 -8.387 358 1HE LYS 44 1HE LYS 44 6.188 -9.739 -8.674 359 2HE LYS 44 2HE LYS 44 4.954 -9.175 -9.812 360 1HZ LYS 44 1HZ LYS 44 6.273 -7.220 -10.191 361 2HZ LYS 44 2HZ LYS 44 7.438 -7.755 -9.155 362 3HZ LYS 44 3HZ LYS 44 7.126 -8.585 -10.543 363 H THR 45 H THR 45 8.383 -7.815 -4.851 364 HA THR 45 HA THR 45 9.769 -5.371 -4.084 365 HB THR 45 HB THR 45 10.766 -7.918 -5.398 366 HG1 THR 45 HG1 THR 45 11.522 -8.125 -3.159 367 1HG2 THR 45 1HG2 THR 45 12.376 -6.077 -5.818 368 2HG2 THR 45 2HG2 THR 45 12.299 -5.620 -4.100 369 3HG2 THR 45 3HG2 THR 45 12.989 -7.184 -4.584 370 H ILE 46 H ILE 46 10.773 -3.852 -5.373 371 HA ILE 46 HA ILE 46 10.016 -3.788 -8.243 372 HB ILE 46 HB ILE 46 9.566 -1.923 -6.117 373 1HG1 ILE 46 1HG1 ILE 46 8.144 -0.843 -7.799 374 2HG1 ILE 46 2HG1 ILE 46 8.812 -1.884 -9.060 375 1HG2 ILE 46 1HG2 ILE 46 11.596 -0.744 -6.751 376 2HG2 ILE 46 2HG2 ILE 46 11.116 -0.772 -8.468 377 3HG2 ILE 46 3HG2 ILE 46 10.187 0.163 -7.283 378 1HD1 ILE 46 1HD1 ILE 46 7.818 -3.869 -7.978 379 2HD1 ILE 46 2HD1 ILE 46 7.332 -2.890 -6.581 380 3HD1 ILE 46 3HD1 ILE 46 6.584 -2.628 -8.172 381 H TYR 47 H TYR 47 11.571 -3.840 -9.649 382 HA TYR 47 HA TYR 47 14.400 -3.722 -8.748 383 1HB TYR 47 1HB TYR 47 12.997 -5.152 -11.034 384 2HB TYR 47 2HB TYR 47 14.743 -5.028 -10.903 385 HD1 TYR 47 HD1 TYR 47 11.721 -6.357 -9.113 386 HD2 TYR 47 HD2 TYR 47 16.001 -6.558 -9.630 387 HE1 TYR 47 HE1 TYR 47 11.804 -8.392 -7.708 388 HE2 TYR 47 HE2 TYR 47 16.078 -8.587 -8.234 389 HH TYR 47 HH TYR 47 14.862 -10.076 -6.950 390 H GLU 48 H GLU 48 15.933 -3.074 -10.489 391 HA GLU 48 HA GLU 48 14.865 -1.078 -12.359 392 1HB GLU 48 1HB GLU 48 16.894 -0.649 -10.254 393 2HB GLU 48 2HB GLU 48 17.516 -0.264 -11.846 394 1HG GLU 48 1HG GLU 48 14.867 0.801 -10.801 395 2HG GLU 48 2HG GLU 48 16.407 1.662 -10.642 396 H ASN 49 H ASN 49 16.109 -0.829 -14.032 397 HA ASN 49 HA ASN 49 17.470 -3.257 -15.161 398 1HB ASN 49 1HB ASN 49 15.160 -2.746 -16.002 399 2HB ASN 49 2HB ASN 49 15.728 -1.157 -16.537 400 1HD2 ASN 49 1HD2 ASN 49 14.745 -2.154 -18.610 401 2HD2 ASN 49 2HD2 ASN 49 15.864 -3.064 -19.607 402 H GLU 50 H GLU 50 17.343 0.308 -14.934 403 HA GLU 50 HA GLU 50 19.485 0.841 -16.762 404 1HB GLU 50 1HB GLU 50 17.640 2.407 -16.130 405 2HB GLU 50 2HB GLU 50 18.379 2.585 -14.529 406 1HG GLU 50 1HG GLU 50 20.446 3.481 -15.607 407 2HG GLU 50 2HG GLU 50 19.703 3.262 -17.201 408 H GLY 51 H GLY 51 20.919 -0.843 -15.912 409 1HA GLY 51 1HA GLY 51 23.244 0.214 -14.783 410 2HA GLY 51 2HA GLY 51 22.371 -0.548 -13.439 411 H PHE 52 H PHE 52 21.434 -2.722 -14.017 412 HA PHE 52 HA PHE 52 22.470 -4.306 -16.123 413 1HB PHE 52 1HB PHE 52 24.426 -4.065 -14.291 414 2HB PHE 52 2HB PHE 52 23.563 -5.355 -13.497 415 HD1 PHE 52 HD1 PHE 52 23.324 -7.595 -14.642 416 HD2 PHE 52 HD2 PHE 52 25.595 -4.370 -16.388 417 HE1 PHE 52 HE1 PHE 52 24.482 -9.209 -16.125 418 HE2 PHE 52 HE2 PHE 52 26.765 -5.993 -17.856 419 HZ PHE 52 HZ PHE 52 26.216 -8.415 -17.722 420 H ARG 53 H ARG 53 21.628 -4.691 -12.677 421 HA ARG 53 HA ARG 53 18.921 -5.457 -12.955 422 1HB ARG 53 1HB ARG 53 19.555 -7.544 -13.890 423 2HB ARG 53 2HB ARG 53 20.972 -7.699 -12.839 424 1HG ARG 53 1HG ARG 53 19.643 -8.184 -10.914 425 2HG ARG 53 2HG ARG 53 18.135 -7.727 -11.730 426 1HD ARG 53 1HD ARG 53 19.920 -10.020 -12.649 427 2HD ARG 53 2HD ARG 53 18.591 -10.213 -11.481 428 HE ARG 53 HE ARG 53 17.552 -8.861 -13.727 429 1HH1 ARG 53 1HH1 ARG 53 18.880 -12.034 -12.938 430 2HH1 ARG 53 2HH1 ARG 53 17.858 -12.904 -14.049 431 1HH2 ARG 53 1HH2 ARG 53 16.186 -9.976 -15.167 432 2HH2 ARG 53 2HH2 ARG 53 16.294 -11.706 -15.344 433 H GLU 54 H GLU 54 18.240 -4.659 -10.903 434 HA GLU 54 HA GLU 54 19.398 -5.787 -8.603 435 1HB GLU 54 1HB GLU 54 20.889 -3.579 -9.368 436 2HB GLU 54 2HB GLU 54 19.682 -2.813 -8.336 437 1HG GLU 54 1HG GLU 54 20.283 -4.470 -6.519 438 2HG GLU 54 2HG GLU 54 21.520 -5.140 -7.598 439 H ILE 55 H ILE 55 18.288 -5.011 -6.606 440 HA ILE 55 HA ILE 55 15.460 -4.400 -7.044 441 HB ILE 55 HB ILE 55 17.127 -4.894 -4.562 442 1HG1 ILE 55 1HG1 ILE 55 14.937 -6.542 -5.912 443 2HG1 ILE 55 2HG1 ILE 55 16.665 -6.825 -6.138 444 1HG2 ILE 55 1HG2 ILE 55 15.322 -3.352 -3.965 445 2HG2 ILE 55 2HG2 ILE 55 14.146 -4.326 -4.867 446 3HG2 ILE 55 3HG2 ILE 55 14.893 -4.949 -3.382 447 1HD1 ILE 55 1HD1 ILE 55 16.935 -7.252 -3.712 448 2HD1 ILE 55 2HD1 ILE 55 15.172 -7.131 -3.508 449 3HD1 ILE 55 3HD1 ILE 55 15.857 -8.398 -4.531 450 H LYS 56 H LYS 56 14.615 -2.333 -6.895 451 HA LYS 56 HA LYS 56 16.440 -0.098 -6.094 452 1HB LYS 56 1HB LYS 56 15.221 -0.109 -8.382 453 2HB LYS 56 2HB LYS 56 13.747 0.174 -7.443 454 1HG LYS 56 1HG LYS 56 15.177 2.130 -6.336 455 2HG LYS 56 2HG LYS 56 16.215 1.908 -7.748 456 1HD LYS 56 1HD LYS 56 14.143 2.300 -9.198 457 2HD LYS 56 2HD LYS 56 13.228 2.561 -7.709 458 1HE LYS 56 1HE LYS 56 13.813 4.725 -8.575 459 2HE LYS 56 2HE LYS 56 14.792 4.454 -7.123 460 1HZ LYS 56 1HZ LYS 56 16.613 3.842 -8.561 461 2HZ LYS 56 2HZ LYS 56 15.687 4.094 -9.902 462 3HZ LYS 56 3HZ LYS 56 16.071 5.354 -8.917 463 H GLY 57 H GLY 57 13.335 -1.782 -5.398 464 1HA GLY 57 1HA GLY 57 13.145 -0.728 -2.732 465 2HA GLY 57 2HA GLY 57 12.158 0.216 -3.880 466 H TYR 58 H TYR 58 10.289 -0.589 -2.658 467 HA TYR 58 HA TYR 58 9.329 -3.182 -3.705 468 1HB TYR 58 1HB TYR 58 8.900 -2.402 -0.826 469 2HB TYR 58 2HB TYR 58 8.665 -3.963 -1.581 470 HD1 TYR 58 HD1 TYR 58 11.147 -1.604 -0.163 471 HD2 TYR 58 HD2 TYR 58 10.575 -5.519 -1.867 472 HE1 TYR 58 HE1 TYR 58 13.513 -2.155 0.308 473 HE2 TYR 58 HE2 TYR 58 12.945 -6.063 -1.422 474 HH TYR 58 HH TYR 58 14.969 -5.283 -0.625 475 H GLU 59 H GLU 59 7.013 -3.340 -3.479 476 HA GLU 59 HA GLU 59 5.564 -0.805 -3.040 477 1HB GLU 59 1HB GLU 59 5.203 -2.773 -5.337 478 2HB GLU 59 2HB GLU 59 3.894 -1.714 -4.778 479 1HG GLU 59 1HG GLU 59 5.231 0.276 -5.150 480 2HG GLU 59 2HG GLU 59 6.610 -0.687 -5.694 481 H TYR 60 H TYR 60 3.477 -1.056 -2.174 482 HA TYR 60 HA TYR 60 2.807 -3.702 -0.986 483 1HB TYR 60 1HB TYR 60 2.854 -1.013 0.433 484 2HB TYR 60 2HB TYR 60 2.278 -2.533 1.098 485 HD1 TYR 60 HD1 TYR 60 3.829 -4.233 1.907 486 HD2 TYR 60 HD2 TYR 60 5.290 -0.614 0.074 487 HE1 TYR 60 HE1 TYR 60 6.144 -4.818 2.579 488 HE2 TYR 60 HE2 TYR 60 7.593 -1.211 0.737 489 HH TYR 60 HH TYR 60 8.963 -2.819 1.685 490 H GLN 61 H GLN 61 0.717 -4.107 -1.536 491 HA GLN 61 HA GLN 61 -1.066 -1.809 -2.145 492 1HB GLN 61 1HB GLN 61 -0.246 -3.041 -4.210 493 2HB GLN 61 2HB GLN 61 -1.134 -4.460 -3.622 494 1HG GLN 61 1HG GLN 61 -3.206 -3.090 -3.537 495 2HG GLN 61 2HG GLN 61 -2.321 -1.686 -4.132 496 1HE2 GLN 61 1HE2 GLN 61 -1.415 -1.749 -6.353 497 2HE2 GLN 61 2HE2 GLN 61 -2.271 -2.724 -7.533 498 H LEU 62 H LEU 62 -2.913 -1.807 -0.938 499 HA LEU 62 HA LEU 62 -3.928 -4.291 0.193 500 1HB LEU 62 1HB LEU 62 -3.764 -3.419 2.539 501 2HB LEU 62 2HB LEU 62 -2.305 -4.101 1.833 502 HG LEU 62 HG LEU 62 -1.949 -2.215 3.323 503 1HD1 LEU 62 1HD1 LEU 62 -0.316 -2.821 1.498 504 2HD1 LEU 62 2HD1 LEU 62 -0.946 -1.434 0.576 505 3HD1 LEU 62 3HD1 LEU 62 -0.201 -1.182 2.155 506 1HD2 LEU 62 1HD2 LEU 62 -3.117 -0.448 1.171 507 2HD2 LEU 62 2HD2 LEU 62 -3.941 -0.853 2.696 508 3HD2 LEU 62 3HD2 LEU 62 -2.421 0.066 2.717 509 H TYR 63 H TYR 63 -5.892 -4.021 1.426 510 HA TYR 63 HA TYR 63 -7.465 -1.745 0.394 511 1HB TYR 63 1HB TYR 63 -8.033 -4.596 1.119 512 2HB TYR 63 2HB TYR 63 -9.261 -3.411 1.495 513 HD1 TYR 63 HD1 TYR 63 -9.649 -1.577 -0.475 514 HD2 TYR 63 HD2 TYR 63 -8.262 -5.604 -1.048 515 HE1 TYR 63 HE1 TYR 63 -10.479 -1.523 -2.783 516 HE2 TYR 63 HE2 TYR 63 -9.155 -5.576 -3.359 517 HH TYR 63 HH TYR 63 -10.742 -2.695 -4.755 518 H VAL 64 H VAL 64 -7.655 -0.079 1.690 519 HA VAL 64 HA VAL 64 -7.507 -0.466 4.635 520 HB VAL 64 HB VAL 64 -5.729 0.880 3.764 521 1HG1 VAL 64 1HG1 VAL 64 -6.714 1.836 1.728 522 2HG1 VAL 64 2HG1 VAL 64 -7.831 2.817 2.707 523 3HG1 VAL 64 3HG1 VAL 64 -6.083 3.096 2.790 524 1HG2 VAL 64 1HG2 VAL 64 -7.741 2.607 5.267 525 2HG2 VAL 64 2HG2 VAL 64 -6.707 1.362 6.001 526 3HG2 VAL 64 3HG2 VAL 64 -5.976 2.785 5.236 527 H TYR 65 H TYR 65 -9.219 0.036 5.880 528 HA TYR 65 HA TYR 65 -11.688 1.050 4.629 529 1HB TYR 65 1HB TYR 65 -11.005 -0.630 6.986 530 2HB TYR 65 2HB TYR 65 -12.144 0.651 7.327 531 HD1 TYR 65 HD1 TYR 65 -14.006 0.981 5.376 532 HD2 TYR 65 HD2 TYR 65 -12.117 -2.685 6.608 533 HE1 TYR 65 HE1 TYR 65 -16.008 -0.286 4.657 534 HE2 TYR 65 HE2 TYR 65 -14.128 -3.951 5.899 535 HH TYR 65 HH TYR 65 -17.032 -2.340 4.594 536 H ALA 66 H ALA 66 -11.969 3.190 4.663 537 HA ALA 66 HA ALA 66 -11.014 4.794 6.986 538 1HB ALA 66 1HB ALA 66 -9.439 5.127 5.084 539 2HB ALA 66 2HB ALA 66 -10.809 5.635 4.068 540 3HB ALA 66 3HB ALA 66 -10.355 6.584 5.508 541 H SER 67 H SER 67 -12.669 5.929 7.823 542 HA SER 67 HA SER 67 -14.834 6.556 8.200 543 1HB SER 67 1HB SER 67 -13.875 8.184 6.364 544 2HB SER 67 2HB SER 67 -15.028 7.382 5.289 545 HG SER 67 HG SER 67 -15.605 8.720 7.747 546 H ASP 68 H ASP 68 -14.588 3.851 7.672 547 HA ASP 68 HA ASP 68 -15.611 1.962 7.083 548 1HB ASP 68 1HB ASP 68 -17.324 2.982 8.600 549 2HB ASP 68 2HB ASP 68 -18.178 3.589 7.170 550 H LYS 69 H LYS 69 -14.709 3.716 4.821 551 HA LYS 69 HA LYS 69 -16.208 2.278 2.669 552 1HB LYS 69 1HB LYS 69 -14.682 4.910 2.609 553 2HB LYS 69 2HB LYS 69 -15.301 4.064 1.188 554 1HG LYS 69 1HG LYS 69 -16.998 5.202 3.460 555 2HG LYS 69 2HG LYS 69 -16.722 5.951 1.882 556 1HD LYS 69 1HD LYS 69 -17.714 3.841 0.816 557 2HD LYS 69 2HD LYS 69 -18.205 3.349 2.455 558 1HE LYS 69 1HE LYS 69 -19.492 5.462 2.698 559 2HE LYS 69 2HE LYS 69 -19.017 5.939 1.055 560 1HZ LYS 69 1HZ LYS 69 -20.137 3.995 0.235 561 2HZ LYS 69 2HZ LYS 69 -20.592 3.567 1.761 562 3HZ LYS 69 3HZ LYS 69 -21.171 4.954 1.087 563 H LEU 70 H LEU 70 -14.963 0.923 1.445 564 HA LEU 70 HA LEU 70 -12.229 0.448 2.412 565 1HB LEU 70 1HB LEU 70 -14.076 -1.357 2.078 566 2HB LEU 70 2HB LEU 70 -13.753 -1.157 0.355 567 HG LEU 70 HG LEU 70 -11.257 -1.565 1.009 568 1HD1 LEU 70 1HD1 LEU 70 -11.610 -1.367 3.492 569 2HD1 LEU 70 2HD1 LEU 70 -12.613 -2.829 3.416 570 3HD1 LEU 70 3HD1 LEU 70 -10.890 -2.901 3.016 571 1HD2 LEU 70 1HD2 LEU 70 -13.341 -3.786 1.201 572 2HD2 LEU 70 2HD2 LEU 70 -12.579 -3.180 -0.285 573 3HD2 LEU 70 3HD2 LEU 70 -11.608 -4.043 0.916 574 H PHE 71 H PHE 71 -10.460 1.097 1.281 575 HA PHE 71 HA PHE 71 -10.728 1.924 -1.586 576 1HB PHE 71 1HB PHE 71 -9.425 3.335 0.765 577 2HB PHE 71 2HB PHE 71 -8.925 3.629 -0.891 578 HD1 PHE 71 HD1 PHE 71 -10.254 4.849 -2.464 579 HD2 PHE 71 HD2 PHE 71 -11.676 4.149 1.544 580 HE1 PHE 71 HE1 PHE 71 -11.844 6.718 -2.708 581 HE2 PHE 71 HE2 PHE 71 -13.202 6.097 1.325 582 HZ PHE 71 HZ PHE 71 -13.303 7.373 -0.802 583 H ARG 72 H ARG 72 -9.038 1.377 -2.880 584 HA ARG 72 HA ARG 72 -7.124 -0.625 -1.863 585 1HB ARG 72 1HB ARG 72 -8.490 -1.012 -3.972 586 2HB ARG 72 2HB ARG 72 -7.644 0.331 -4.713 587 1HG ARG 72 1HG ARG 72 -6.712 -1.819 -5.384 588 2HG ARG 72 2HG ARG 72 -5.490 -0.876 -4.515 589 1HD ARG 72 1HD ARG 72 -5.672 -2.226 -2.562 590 2HD ARG 72 2HD ARG 72 -7.246 -2.881 -3.063 591 HE ARG 72 HE ARG 72 -5.304 -3.643 -4.983 592 1HH1 ARG 72 1HH1 ARG 72 -6.210 -4.312 -1.637 593 2HH1 ARG 72 2HH1 ARG 72 -5.342 -5.817 -1.538 594 1HH2 ARG 72 1HH2 ARG 72 -4.171 -5.514 -4.905 595 2HH2 ARG 72 2HH2 ARG 72 -4.296 -6.639 -3.563 596 H ALA 73 H ALA 73 -5.256 0.229 -1.057 597 HA ALA 73 HA ALA 73 -4.191 2.775 -2.220 598 1HB ALA 73 1HB ALA 73 -4.804 2.947 0.149 599 2HB ALA 73 2HB ALA 73 -3.763 1.569 0.532 600 3HB ALA 73 3HB ALA 73 -3.047 3.067 -0.093 601 H ASP 74 H ASP 74 -2.236 2.705 -3.160 602 HA ASP 74 HA ASP 74 -0.508 0.271 -2.916 603 1HB ASP 74 1HB ASP 74 -1.734 0.466 -5.095 604 2HB ASP 74 2HB ASP 74 -0.872 1.985 -5.403 605 H ILE 75 H ILE 75 1.393 0.741 -2.178 606 HA ILE 75 HA ILE 75 2.389 3.545 -2.101 607 HB ILE 75 HB ILE 75 2.505 1.418 0.110 608 1HG1 ILE 75 1HG1 ILE 75 1.152 3.413 1.308 609 2HG1 ILE 75 2HG1 ILE 75 0.600 3.699 -0.341 610 1HG2 ILE 75 1HG2 ILE 75 4.462 2.744 0.290 611 2HG2 ILE 75 2HG2 ILE 75 3.565 4.249 0.015 612 3HG2 ILE 75 3HG2 ILE 75 3.360 3.349 1.516 613 1HD1 ILE 75 1HD1 ILE 75 -0.187 1.290 -0.405 614 2HD1 ILE 75 2HD1 ILE 75 0.452 1.083 1.233 615 3HD1 ILE 75 3HD1 ILE 75 -0.901 2.189 0.935 616 H SER 76 H SER 76 4.656 3.780 -2.169 617 HA SER 76 HA SER 76 6.162 1.325 -2.976 618 1HB SER 76 1HB SER 76 5.861 3.855 -4.357 619 2HB SER 76 2HB SER 76 7.546 3.661 -3.832 620 HG SER 76 HG SER 76 7.094 2.699 -5.885 621 H GLU 77 H GLU 77 8.373 1.307 -2.273 622 HA GLU 77 HA GLU 77 9.107 3.219 -0.134 623 1HB GLU 77 1HB GLU 77 8.036 1.112 0.776 624 2HB GLU 77 2HB GLU 77 9.400 0.195 0.104 625 1HG GLU 77 1HG GLU 77 9.554 2.403 2.212 626 2HG GLU 77 2HG GLU 77 9.619 0.666 2.536 627 H ASP 78 H ASP 78 11.184 3.957 -0.774 628 HA ASP 78 HA ASP 78 12.591 2.532 -2.976 629 1HB ASP 78 1HB ASP 78 11.889 4.916 -3.253 630 2HB ASP 78 2HB ASP 78 12.978 5.362 -1.932 631 H TYR 79 H TYR 79 14.429 1.412 -2.513 632 HA TYR 79 HA TYR 79 15.288 1.025 0.136 633 1HB TYR 79 1HB TYR 79 15.557 -0.568 -1.749 634 2HB TYR 79 2HB TYR 79 16.774 0.490 -2.463 635 HD1 TYR 79 HD1 TYR 79 19.066 0.386 -1.742 636 HD2 TYR 79 HD2 TYR 79 15.991 -1.608 0.534 637 HE1 TYR 79 HE1 TYR 79 20.800 -0.720 -0.356 638 HE2 TYR 79 HE2 TYR 79 17.722 -2.697 1.920 639 HH TYR 79 HH TYR 79 19.980 -2.930 2.328 640 H LYS 80 H LYS 80 16.498 3.347 -2.338 641 HA LYS 80 HA LYS 80 19.098 3.689 -1.325 642 1HB LYS 80 1HB LYS 80 17.246 5.640 -2.781 643 2HB LYS 80 2HB LYS 80 18.971 5.852 -2.506 644 1HG LYS 80 1HG LYS 80 19.502 3.881 -3.860 645 2HG LYS 80 2HG LYS 80 17.786 3.523 -4.066 646 1HD LYS 80 1HD LYS 80 18.676 4.623 -6.067 647 2HD LYS 80 2HD LYS 80 17.402 5.578 -5.302 648 1HE LYS 80 1HE LYS 80 19.290 6.973 -6.107 649 2HE LYS 80 2HE LYS 80 19.046 7.140 -4.369 650 1HZ LYS 80 1HZ LYS 80 20.858 5.612 -4.035 651 2HZ LYS 80 2HZ LYS 80 21.072 5.444 -5.661 652 3HZ LYS 80 3HZ LYS 80 21.346 6.899 -4.938 653 H THR 81 H THR 81 16.124 5.601 -0.728 654 HA THR 81 HA THR 81 17.456 7.070 1.487 655 HB THR 81 HB THR 81 15.423 8.581 1.015 656 HG1 THR 81 HG1 THR 81 14.483 8.188 -1.041 657 1HG2 THR 81 1HG2 THR 81 17.708 9.088 0.189 658 2HG2 THR 81 2HG2 THR 81 17.410 8.103 -1.258 659 3HG2 THR 81 3HG2 THR 81 16.469 9.582 -0.977 660 H ARG 82 H ARG 82 15.607 4.309 1.225 661 HA ARG 82 HA ARG 82 14.037 3.289 2.322 662 1HB ARG 82 1HB ARG 82 13.937 3.313 4.697 663 2HB ARG 82 2HB ARG 82 15.591 3.143 4.113 664 1HG ARG 82 1HG ARG 82 16.166 5.384 4.766 665 2HG ARG 82 2HG ARG 82 14.473 5.805 5.068 666 1HD ARG 82 1HD ARG 82 14.422 4.103 6.927 667 2HD ARG 82 2HD ARG 82 16.128 3.772 6.616 668 HE ARG 82 HE ARG 82 16.714 5.657 7.756 669 1HH1 ARG 82 1HH1 ARG 82 13.323 5.979 6.821 670 2HH1 ARG 82 2HH1 ARG 82 13.044 7.414 7.769 671 1HH2 ARG 82 1HH2 ARG 82 16.383 7.553 8.969 672 2HH2 ARG 82 2HH2 ARG 82 14.826 8.336 8.997 673 H GLY 83 H GLY 83 13.200 5.306 0.796 674 1HA GLY 83 1HA GLY 83 11.553 7.224 2.343 675 2HA GLY 83 2HA GLY 83 11.952 7.313 0.635 676 H ARG 84 H ARG 84 9.456 6.982 2.574 677 HA ARG 84 HA ARG 84 7.832 5.035 1.068 678 1HB ARG 84 1HB ARG 84 7.157 7.042 3.249 679 2HB ARG 84 2HB ARG 84 5.986 5.927 2.570 680 1HG ARG 84 1HG ARG 84 8.545 4.914 3.878 681 2HG ARG 84 2HG ARG 84 7.053 5.237 4.763 682 1HD ARG 84 1HD ARG 84 5.833 3.673 3.166 683 2HD ARG 84 2HD ARG 84 7.376 3.287 2.427 684 HE ARG 84 HE ARG 84 7.886 1.902 4.167 685 1HH1 ARG 84 1HH1 ARG 84 5.308 4.076 5.196 686 2HH1 ARG 84 2HH1 ARG 84 5.004 3.278 6.713 687 1HH2 ARG 84 1HH2 ARG 84 7.445 0.747 6.094 688 2HH2 ARG 84 2HH2 ARG 84 6.217 1.302 7.198 689 H LYS 85 H LYS 85 5.551 6.172 0.632 690 HA LYS 85 HA LYS 85 5.127 8.386 -0.849 691 1HB LYS 85 1HB LYS 85 5.758 7.953 -3.133 692 2HB LYS 85 2HB LYS 85 7.111 8.301 -2.064 693 1HG LYS 85 1HG LYS 85 6.711 5.453 -2.114 694 2HG LYS 85 2HG LYS 85 6.652 6.007 -3.785 695 1HD LYS 85 1HD LYS 85 8.889 6.869 -1.905 696 2HD LYS 85 2HD LYS 85 8.911 5.276 -2.628 697 1HE LYS 85 1HE LYS 85 10.214 6.862 -4.009 698 2HE LYS 85 2HE LYS 85 8.820 6.254 -4.913 699 1HZ LYS 85 1HZ LYS 85 7.672 8.281 -4.377 700 2HZ LYS 85 2HZ LYS 85 8.969 8.844 -3.535 701 3HZ LYS 85 3HZ LYS 85 9.083 8.604 -5.163 702 H LEU 86 H LEU 86 2.976 8.271 -1.219 703 HA LEU 86 HA LEU 86 1.581 5.789 -1.742 704 1HB LEU 86 1HB LEU 86 0.532 7.822 -0.700 705 2HB LEU 86 2HB LEU 86 0.835 8.699 -2.205 706 HG LEU 86 HG LEU 86 -0.651 6.943 -3.377 707 1HD1 LEU 86 1HD1 LEU 86 -0.658 5.255 -1.538 708 2HD1 LEU 86 2HD1 LEU 86 -1.485 6.427 -0.487 709 3HD1 LEU 86 3HD1 LEU 86 -2.288 5.798 -1.937 710 1HD2 LEU 86 1HD2 LEU 86 -1.893 8.792 -1.305 711 2HD2 LEU 86 2HD2 LEU 86 -1.330 9.264 -2.926 712 3HD2 LEU 86 3HD2 LEU 86 -2.683 8.141 -2.759 713 H LEU 87 H LEU 87 1.272 4.843 -3.757 714 HA LEU 87 HA LEU 87 2.231 6.273 -6.195 715 1HB LEU 87 1HB LEU 87 1.619 3.408 -5.502 716 2HB LEU 87 2HB LEU 87 1.351 3.934 -7.164 717 HG LEU 87 HG LEU 87 3.978 4.529 -5.776 718 1HD1 LEU 87 1HD1 LEU 87 3.684 2.126 -5.566 719 2HD1 LEU 87 2HD1 LEU 87 3.197 1.990 -7.271 720 3HD1 LEU 87 3HD1 LEU 87 4.857 2.457 -6.851 721 1HD2 LEU 87 1HD2 LEU 87 3.197 4.118 -8.707 722 2HD2 LEU 87 2HD2 LEU 87 3.488 5.693 -7.946 723 3HD2 LEU 87 3HD2 LEU 87 4.813 4.535 -8.110 724 H ARG 88 H ARG 88 -0.664 4.446 -5.027 725 HA ARG 88 HA ARG 88 -2.430 6.443 -6.302 726 1HB ARG 88 1HB ARG 88 -2.118 3.571 -7.226 727 2HB ARG 88 2HB ARG 88 -3.676 4.393 -7.366 728 1HG ARG 88 1HG ARG 88 -2.884 6.050 -8.826 729 2HG ARG 88 2HG ARG 88 -1.185 5.670 -8.538 730 1HD ARG 88 1HD ARG 88 -3.102 3.712 -9.838 731 2HD ARG 88 2HD ARG 88 -2.055 4.853 -10.713 732 HE ARG 88 HE ARG 88 -0.493 3.391 -8.826 733 1HH1 ARG 88 1HH1 ARG 88 -2.117 2.977 -11.929 734 2HH1 ARG 88 2HH1 ARG 88 -0.964 1.824 -12.547 735 1HH2 ARG 88 1HH2 ARG 88 1.021 1.878 -9.601 736 2HH2 ARG 88 2HH2 ARG 88 0.850 1.178 -11.185 737 H PHE 89 H PHE 89 -4.560 6.316 -5.594 738 HA PHE 89 HA PHE 89 -5.255 4.491 -3.369 739 1HB PHE 89 1HB PHE 89 -4.420 6.644 -2.414 740 2HB PHE 89 2HB PHE 89 -5.590 7.523 -3.389 741 HD1 PHE 89 HD1 PHE 89 -5.105 5.241 -0.515 742 HD2 PHE 89 HD2 PHE 89 -7.965 7.555 -2.763 743 HE1 PHE 89 HE1 PHE 89 -6.721 5.070 1.362 744 HE2 PHE 89 HE2 PHE 89 -9.542 7.451 -0.853 745 HZ PHE 89 HZ PHE 89 -8.941 6.178 1.193 746 H ASN 90 H ASN 90 -7.062 3.468 -4.185 747 HA ASN 90 HA ASN 90 -8.729 4.910 -6.209 748 1HB ASN 90 1HB ASN 90 -8.230 1.933 -6.171 749 2HB ASN 90 2HB ASN 90 -8.777 2.961 -7.474 750 1HD2 ASN 90 1HD2 ASN 90 -5.873 2.208 -5.434 751 2HD2 ASN 90 2HD2 ASN 90 -4.740 2.524 -6.743 752 H GLY 91 H GLY 91 -10.957 4.598 -6.023 753 1HA GLY 91 1HA GLY 91 -12.577 2.740 -5.235 754 2HA GLY 91 2HA GLY 91 -11.926 3.130 -3.634 755 HA PRO 92 HA PRO 92 -13.465 3.342 -2.108 756 1HB PRO 92 1HB PRO 92 -16.083 3.307 -1.398 757 2HB PRO 92 2HB PRO 92 -14.962 4.627 -0.958 758 1HG PRO 92 1HG PRO 92 -16.892 4.574 -3.297 759 2HG PRO 92 2HG PRO 92 -16.724 5.852 -2.056 760 1HD PRO 92 1HD PRO 92 -15.466 6.033 -4.467 761 2HD PRO 92 2HD PRO 92 -14.643 6.575 -2.978 762 H VAL 93 H VAL 93 -14.208 1.109 -1.993 763 HA VAL 93 HA VAL 93 -15.849 0.175 -4.302 764 HB VAL 93 HB VAL 93 -14.705 -1.902 -4.392 765 1HG1 VAL 93 1HG1 VAL 93 -13.816 -0.012 -5.771 766 2HG1 VAL 93 2HG1 VAL 93 -12.606 0.308 -4.508 767 3HG1 VAL 93 3HG1 VAL 93 -12.592 -1.230 -5.378 768 1HG2 VAL 93 1HG2 VAL 93 -12.741 -0.899 -2.291 769 2HG2 VAL 93 2HG2 VAL 93 -13.931 -2.204 -2.068 770 3HG2 VAL 93 3HG2 VAL 93 -12.636 -2.402 -3.234 771 HA PRO 94 HA PRO 94 -18.216 -1.354 -0.774 772 1HB PRO 94 1HB PRO 94 -20.224 -2.673 -2.049 773 2HB PRO 94 2HB PRO 94 -20.102 -0.887 -2.092 774 1HG PRO 94 1HG PRO 94 -19.148 -2.860 -4.186 775 2HG PRO 94 2HG PRO 94 -20.137 -1.394 -4.438 776 1HD PRO 94 1HD PRO 94 -17.407 -1.451 -4.779 777 2HD PRO 94 2HD PRO 94 -18.258 0.013 -4.195 778 HA PRO 95 HA PRO 95 -16.573 -5.572 -0.715 779 1HB PRO 95 1HB PRO 95 -18.004 -6.734 1.307 780 2HB PRO 95 2HB PRO 95 -16.772 -5.473 1.610 781 1HG PRO 95 1HG PRO 95 -19.770 -5.103 1.361 782 2HG PRO 95 2HG PRO 95 -18.700 -4.490 2.655 783 1HD PRO 95 1HD PRO 95 -19.458 -2.953 0.519 784 2HD PRO 95 2HD PRO 95 -17.824 -2.801 1.236 785 HA PRO 96 HA PRO 96 -19.640 -7.648 -3.272 786 1HB PRO 96 1HB PRO 96 -18.807 -10.251 -3.215 787 2HB PRO 96 2HB PRO 96 -17.894 -8.964 -4.053 788 1HG PRO 96 1HG PRO 96 -17.413 -10.045 -1.261 789 2HG PRO 96 2HG PRO 96 -16.211 -9.824 -2.568 790 1HD PRO 96 1HD PRO 96 -16.550 -7.972 -0.599 791 2HD PRO 96 2HD PRO 96 -16.226 -7.461 -2.283 Start of MODEL 19 1 1H GLY 1 1H GLY 1 7.603 -10.724 -0.773 2 2H GLY 1 2H GLY 1 8.074 -9.237 -1.300 3 3H GLY 1 3H GLY 1 8.344 -9.682 0.265 4 1HA GLY 1 1HA GLY 1 10.376 -9.761 -0.961 5 2HA GLY 1 2HA GLY 1 9.887 -11.377 -0.415 6 H GLU 2 H GLU 2 8.193 -12.395 -2.082 7 HA GLU 2 HA GLU 2 8.864 -11.749 -4.897 8 1HB GLU 2 1HB GLU 2 10.226 -13.754 -3.869 9 2HB GLU 2 2HB GLU 2 8.711 -14.649 -4.001 10 1HG GLU 2 1HG GLU 2 10.235 -13.242 -6.253 11 2HG GLU 2 2HG GLU 2 10.202 -14.979 -5.944 12 H TRP 3 H TRP 3 6.805 -10.659 -3.865 13 HA TRP 3 HA TRP 3 4.575 -10.345 -4.028 14 1HB TRP 3 1HB TRP 3 4.901 -12.474 -6.008 15 2HB TRP 3 2HB TRP 3 3.294 -12.205 -5.324 16 HD1 TRP 3 HD1 TRP 3 4.765 -11.491 -8.329 17 HE1 TRP 3 HE1 TRP 3 3.649 -9.517 -9.487 18 HE3 TRP 3 HE3 TRP 3 2.591 -9.274 -4.249 19 HZ2 TRP 3 HZ2 TRP 3 1.908 -7.313 -8.767 20 HZ3 TRP 3 HZ3 TRP 3 1.284 -7.194 -4.515 21 HH2 TRP 3 HH2 TRP 3 0.877 -6.242 -6.769 22 H GLU 4 H GLU 4 4.012 -10.631 -1.810 23 HA GLU 4 HA GLU 4 2.599 -13.152 -1.315 24 1HB GLU 4 1HB GLU 4 4.941 -13.663 -0.657 25 2HB GLU 4 2HB GLU 4 4.903 -12.309 0.494 26 1HG GLU 4 1HG GLU 4 4.632 -14.518 1.562 27 2HG GLU 4 2HG GLU 4 3.239 -13.490 1.849 28 H ILE 5 H ILE 5 1.262 -13.108 0.552 29 HA ILE 5 HA ILE 5 0.085 -10.496 0.964 30 HB ILE 5 HB ILE 5 -0.551 -13.059 2.394 31 1HG1 ILE 5 1HG1 ILE 5 -1.869 -11.948 -0.142 32 2HG1 ILE 5 2HG1 ILE 5 -0.760 -13.324 -0.125 33 1HG2 ILE 5 1HG2 ILE 5 -1.433 -10.985 3.443 34 2HG2 ILE 5 2HG2 ILE 5 -2.253 -10.580 1.923 35 3HG2 ILE 5 3HG2 ILE 5 -2.725 -12.017 2.854 36 1HD1 ILE 5 1HD1 ILE 5 -2.302 -14.562 1.378 37 2HD1 ILE 5 2HD1 ILE 5 -3.498 -13.259 1.173 38 3HD1 ILE 5 3HD1 ILE 5 -2.962 -14.197 -0.226 39 H ILE 6 H ILE 6 0.435 -9.230 2.784 40 HA ILE 6 HA ILE 6 2.599 -10.116 4.640 41 HB ILE 6 HB ILE 6 2.974 -7.813 5.114 42 1HG1 ILE 6 1HG1 ILE 6 0.787 -7.152 3.105 43 2HG1 ILE 6 2HG1 ILE 6 0.743 -6.851 4.847 44 1HG2 ILE 6 1HG2 ILE 6 4.064 -9.021 3.178 45 2HG2 ILE 6 2HG2 ILE 6 2.900 -8.219 2.105 46 3HG2 ILE 6 3HG2 ILE 6 4.074 -7.263 3.049 47 1HD1 ILE 6 1HD1 ILE 6 2.741 -5.333 4.548 48 2HD1 ILE 6 2HD1 ILE 6 2.573 -5.567 2.789 49 3HD1 ILE 6 3HD1 ILE 6 1.272 -4.796 3.699 50 H ASP 7 H ASP 7 2.452 -9.695 6.855 51 HA ASP 7 HA ASP 7 -0.010 -10.380 8.076 52 1HB ASP 7 1HB ASP 7 2.446 -9.032 9.288 53 2HB ASP 7 2HB ASP 7 1.158 -9.850 10.179 54 H ILE 8 H ILE 8 -1.740 -9.083 8.513 55 HA ILE 8 HA ILE 8 -1.543 -6.179 8.370 56 HB ILE 8 HB ILE 8 -3.979 -6.700 9.389 57 1HG1 ILE 8 1HG1 ILE 8 -5.058 -8.382 7.899 58 2HG1 ILE 8 2HG1 ILE 8 -3.478 -9.008 7.447 59 1HG2 ILE 8 1HG2 ILE 8 -3.430 -5.200 7.539 60 2HG2 ILE 8 2HG2 ILE 8 -3.098 -6.595 6.487 61 3HG2 ILE 8 3HG2 ILE 8 -4.753 -6.261 7.041 62 1HD1 ILE 8 1HD1 ILE 8 -3.119 -9.662 9.856 63 2HD1 ILE 8 2HD1 ILE 8 -4.687 -8.927 10.259 64 3HD1 ILE 8 3HD1 ILE 8 -4.615 -10.348 9.199 65 H GLY 9 H GLY 9 -0.940 -4.990 10.049 66 1HA GLY 9 1HA GLY 9 -1.413 -5.460 12.832 67 2HA GLY 9 2HA GLY 9 0.149 -6.136 12.312 68 HA PRO 10 HA PRO 10 0.441 -1.620 13.467 69 1HB PRO 10 1HB PRO 10 3.092 -1.606 14.329 70 2HB PRO 10 2HB PRO 10 1.657 -1.967 15.326 71 1HG PRO 10 1HG PRO 10 3.500 -3.933 13.961 72 2HG PRO 10 2HG PRO 10 2.859 -3.994 15.627 73 1HD PRO 10 1HD PRO 10 1.748 -5.451 13.660 74 2HD PRO 10 2HD PRO 10 0.691 -4.638 14.852 75 H PHE 11 H PHE 11 3.106 -3.311 11.729 76 HA PHE 11 HA PHE 11 4.180 -1.158 10.331 77 1HB PHE 11 1HB PHE 11 5.180 -3.372 10.369 78 2HB PHE 11 2HB PHE 11 3.803 -4.071 9.530 79 HD1 PHE 11 HD1 PHE 11 3.630 -4.018 7.123 80 HD2 PHE 11 HD2 PHE 11 6.748 -1.818 9.143 81 HE1 PHE 11 HE1 PHE 11 4.835 -3.746 4.978 82 HE2 PHE 11 HE2 PHE 11 7.947 -1.554 6.990 83 HZ PHE 11 HZ PHE 11 7.005 -2.532 4.909 84 H THR 12 H THR 12 1.537 -3.365 9.281 85 HA THR 12 HA THR 12 1.043 -2.141 6.779 86 HB THR 12 HB THR 12 -1.289 -3.499 7.806 87 HG1 THR 12 HG1 THR 12 0.507 -5.413 8.266 88 1HG2 THR 12 1HG2 THR 12 -0.332 -3.669 5.514 89 2HG2 THR 12 2HG2 THR 12 1.033 -4.595 6.172 90 3HG2 THR 12 3HG2 THR 12 -0.616 -5.260 6.241 91 H GLN 13 H GLN 13 -0.491 -1.842 10.014 92 HA GLN 13 HA GLN 13 -2.517 -0.018 9.341 93 1HB GLN 13 1HB GLN 13 -0.884 -0.518 11.850 94 2HB GLN 13 2HB GLN 13 -2.215 0.629 11.809 95 1HG GLN 13 1HG GLN 13 -3.849 -1.034 11.428 96 2HG GLN 13 2HG GLN 13 -2.662 -2.224 10.893 97 1HE2 GLN 13 1HE2 GLN 13 -3.673 -3.712 12.473 98 2HE2 GLN 13 2HE2 GLN 13 -3.227 -3.558 14.164 99 H ASN 14 H ASN 14 0.877 0.585 10.392 100 HA ASN 14 HA ASN 14 0.783 3.391 10.332 101 1HB ASN 14 1HB ASN 14 2.638 2.074 11.277 102 2HB ASN 14 2HB ASN 14 3.123 1.569 9.655 103 1HD2 ASN 14 1HD2 ASN 14 5.229 2.529 9.972 104 2HD2 ASN 14 2HD2 ASN 14 5.411 4.274 9.898 105 H LEU 15 H LEU 15 1.649 1.092 7.674 106 HA LEU 15 HA LEU 15 2.082 3.158 5.731 107 1HB LEU 15 1HB LEU 15 1.313 0.236 5.460 108 2HB LEU 15 2HB LEU 15 1.600 1.274 4.059 109 HG LEU 15 HG LEU 15 3.669 0.878 6.264 110 1HD1 LEU 15 1HD1 LEU 15 3.201 -1.282 5.217 111 2HD1 LEU 15 2HD1 LEU 15 3.369 -0.566 3.595 112 3HD1 LEU 15 3HD1 LEU 15 4.775 -0.670 4.674 113 1HD2 LEU 15 1HD2 LEU 15 3.906 1.922 3.397 114 2HD2 LEU 15 2HD2 LEU 15 4.047 2.919 4.860 115 3HD2 LEU 15 3HD2 LEU 15 5.238 1.663 4.542 116 H GLY 16 H GLY 16 -0.872 1.346 6.589 117 1HA GLY 16 1HA GLY 16 -2.615 2.488 4.653 118 2HA GLY 16 2HA GLY 16 -3.084 1.874 6.246 119 H LYS 17 H LYS 17 -1.790 3.545 7.973 120 HA LYS 17 HA LYS 17 -3.350 5.864 8.167 121 1HB LYS 17 1HB LYS 17 -1.127 4.567 9.558 122 2HB LYS 17 2HB LYS 17 -0.714 6.244 9.349 123 1HG LYS 17 1HG LYS 17 -2.870 6.879 10.456 124 2HG LYS 17 2HG LYS 17 -3.194 5.137 10.699 125 1HD LYS 17 1HD LYS 17 -0.990 4.900 11.831 126 2HD LYS 17 2HD LYS 17 -0.714 6.638 11.662 127 1HE LYS 17 1HE LYS 17 -2.989 5.322 13.250 128 2HE LYS 17 2HE LYS 17 -1.520 6.025 13.947 129 1HZ LYS 17 1HZ LYS 17 -2.183 8.143 13.057 130 2HZ LYS 17 2HZ LYS 17 -3.565 7.493 12.438 131 3HZ LYS 17 3HZ LYS 17 -3.335 7.538 14.068 132 H PHE 18 H PHE 18 0.012 5.502 7.099 133 HA PHE 18 HA PHE 18 0.476 8.164 6.338 134 1HB PHE 18 1HB PHE 18 2.280 6.589 6.602 135 2HB PHE 18 2HB PHE 18 1.583 5.487 5.430 136 HD1 PHE 18 HD1 PHE 18 2.518 5.381 3.299 137 HD2 PHE 18 HD2 PHE 18 2.839 9.044 5.564 138 HE1 PHE 18 HE1 PHE 18 4.213 6.220 1.708 139 HE2 PHE 18 HE2 PHE 18 4.532 9.880 3.955 140 HZ PHE 18 HZ PHE 18 5.337 8.409 2.133 141 H ALA 19 H ALA 19 -0.816 5.467 4.393 142 HA ALA 19 HA ALA 19 -1.070 6.909 1.967 143 1HB ALA 19 1HB ALA 19 -1.318 4.450 2.159 144 2HB ALA 19 2HB ALA 19 -2.868 4.668 2.993 145 3HB ALA 19 3HB ALA 19 -2.692 5.197 1.313 146 H VAL 20 H VAL 20 -3.405 6.461 4.638 147 HA VAL 20 HA VAL 20 -5.448 8.098 3.414 148 HB VAL 20 HB VAL 20 -5.000 7.248 6.291 149 1HG1 VAL 20 1HG1 VAL 20 -6.393 9.256 6.373 150 2HG1 VAL 20 2HG1 VAL 20 -7.375 8.683 5.006 151 3HG1 VAL 20 3HG1 VAL 20 -7.449 7.854 6.570 152 1HG2 VAL 20 1HG2 VAL 20 -6.839 5.656 5.775 153 2HG2 VAL 20 2HG2 VAL 20 -6.954 6.314 4.129 154 3HG2 VAL 20 3HG2 VAL 20 -5.508 5.430 4.629 155 H ASP 21 H ASP 21 -2.744 8.834 5.630 156 HA ASP 21 HA ASP 21 -3.508 11.478 6.278 157 1HB ASP 21 1HB ASP 21 -1.855 10.321 7.587 158 2HB ASP 21 2HB ASP 21 -0.802 10.084 6.190 159 H GLU 22 H GLU 22 -1.329 10.178 3.769 160 HA GLU 22 HA GLU 22 -0.652 12.602 2.494 161 1HB GLU 22 1HB GLU 22 0.408 10.309 2.149 162 2HB GLU 22 2HB GLU 22 -1.018 9.847 1.215 163 1HG GLU 22 1HG GLU 22 0.682 10.483 -0.338 164 2HG GLU 22 2HG GLU 22 -0.497 11.797 -0.357 165 H GLU 23 H GLU 23 -3.301 10.253 1.822 166 HA GLU 23 HA GLU 23 -4.419 11.636 -0.358 167 1HB GLU 23 1HB GLU 23 -4.900 9.278 0.432 168 2HB GLU 23 2HB GLU 23 -5.965 9.958 1.673 169 1HG GLU 23 1HG GLU 23 -6.227 10.410 -1.343 170 2HG GLU 23 2HG GLU 23 -7.093 9.184 -0.412 171 H ASN 24 H ASN 24 -5.254 11.835 3.140 172 HA ASN 24 HA ASN 24 -7.264 13.815 3.015 173 1HB ASN 24 1HB ASN 24 -5.280 12.807 5.085 174 2HB ASN 24 2HB ASN 24 -6.088 14.325 5.359 175 1HD2 ASN 24 1HD2 ASN 24 -6.877 13.188 7.300 176 2HD2 ASN 24 2HD2 ASN 24 -8.373 12.285 7.150 177 H LYS 25 H LYS 25 -3.683 14.064 3.261 178 HA LYS 25 HA LYS 25 -3.566 16.829 3.705 179 1HB LYS 25 1HB LYS 25 -1.720 15.061 3.865 180 2HB LYS 25 2HB LYS 25 -1.497 15.260 2.117 181 1HG LYS 25 1HG LYS 25 -1.041 17.702 2.530 182 2HG LYS 25 2HG LYS 25 -1.258 17.402 4.268 183 1HD LYS 25 1HD LYS 25 0.595 15.643 4.101 184 2HD LYS 25 2HD LYS 25 0.840 16.153 2.427 185 1HE LYS 25 1HE LYS 25 2.486 17.262 3.798 186 2HE LYS 25 2HE LYS 25 1.326 18.490 3.265 187 1HZ LYS 25 1HZ LYS 25 0.272 18.313 5.410 188 2HZ LYS 25 2HZ LYS 25 1.330 17.141 5.882 189 3HZ LYS 25 3HZ LYS 25 1.870 18.671 5.592 190 H ILE 26 H ILE 26 -3.663 15.005 0.622 191 HA ILE 26 HA ILE 26 -3.589 17.429 -1.008 192 HB ILE 26 HB ILE 26 -4.468 14.626 -1.784 193 1HG1 ILE 26 1HG1 ILE 26 -1.733 15.950 -2.146 194 2HG1 ILE 26 2HG1 ILE 26 -2.086 14.778 -0.881 195 1HG2 ILE 26 1HG2 ILE 26 -5.186 16.490 -3.343 196 2HG2 ILE 26 2HG2 ILE 26 -3.496 16.994 -3.468 197 3HG2 ILE 26 3HG2 ILE 26 -4.009 15.416 -4.092 198 1HD1 ILE 26 1HD1 ILE 26 -2.720 13.093 -2.605 199 2HD1 ILE 26 2HD1 ILE 26 -2.146 14.220 -3.861 200 3HD1 ILE 26 3HD1 ILE 26 -1.021 13.601 -2.644 201 H GLY 27 H GLY 27 -6.148 15.181 0.102 202 1HA GLY 27 1HA GLY 27 -8.238 15.715 0.838 203 2HA GLY 27 2HA GLY 27 -8.117 17.342 0.163 204 H GLN 28 H GLN 28 -7.342 14.619 -1.919 205 HA GLN 28 HA GLN 28 -9.164 15.381 -3.935 206 1HB GLN 28 1HB GLN 28 -7.872 12.669 -3.408 207 2HB GLN 28 2HB GLN 28 -8.752 13.097 -4.882 208 1HG GLN 28 1HG GLN 28 -7.183 14.966 -5.295 209 2HG GLN 28 2HG GLN 28 -6.260 14.495 -3.853 210 1HE2 GLN 28 1HE2 GLN 28 -5.405 14.591 -6.743 211 2HE2 GLN 28 2HE2 GLN 28 -4.841 12.961 -7.063 212 H TYR 29 H TYR 29 -9.504 12.960 -1.361 213 HA TYR 29 HA TYR 29 -12.442 12.737 -1.982 214 1HB TYR 29 1HB TYR 29 -10.382 10.737 -1.251 215 2HB TYR 29 2HB TYR 29 -11.821 10.664 -0.268 216 HD1 TYR 29 HD1 TYR 29 -10.491 10.036 -3.616 217 HD2 TYR 29 HD2 TYR 29 -14.061 10.295 -1.213 218 HE1 TYR 29 HE1 TYR 29 -11.784 8.872 -5.392 219 HE2 TYR 29 HE2 TYR 29 -15.347 9.157 -2.991 220 HH TYR 29 HH TYR 29 -15.308 8.329 -5.140 221 H GLY 30 H GLY 30 -11.121 14.952 -0.574 222 1HA GLY 30 1HA GLY 30 -11.666 16.294 1.196 223 2HA GLY 30 2HA GLY 30 -12.994 15.185 1.583 224 H ARG 31 H ARG 31 -12.589 15.296 3.830 225 HA ARG 31 HA ARG 31 -9.986 14.284 4.882 226 1HB ARG 31 1HB ARG 31 -12.293 15.831 6.137 227 2HB ARG 31 2HB ARG 31 -11.070 14.979 7.069 228 1HG ARG 31 1HG ARG 31 -10.373 17.189 7.031 229 2HG ARG 31 2HG ARG 31 -9.272 16.326 5.960 230 1HD ARG 31 1HD ARG 31 -10.312 17.242 3.996 231 2HD ARG 31 2HD ARG 31 -11.697 17.864 4.899 232 HE ARG 31 HE ARG 31 -9.082 19.072 4.556 233 1HH1 ARG 31 1HH1 ARG 31 -11.848 18.906 6.746 234 2HH1 ARG 31 2HH1 ARG 31 -11.543 20.453 7.489 235 1HH2 ARG 31 1HH2 ARG 31 -8.647 21.082 5.536 236 2HH2 ARG 31 2HH2 ARG 31 -9.679 21.705 6.794 237 H LEU 32 H LEU 32 -9.984 12.134 5.210 238 HA LEU 32 HA LEU 32 -12.404 10.808 6.440 239 1HB LEU 32 1HB LEU 32 -10.041 9.521 5.019 240 2HB LEU 32 2HB LEU 32 -11.486 8.729 5.653 241 HG LEU 32 HG LEU 32 -12.588 10.647 3.957 242 1HD1 LEU 32 1HD1 LEU 32 -10.329 11.192 3.047 243 2HD1 LEU 32 2HD1 LEU 32 -10.098 9.480 2.623 244 3HD1 LEU 32 3HD1 LEU 32 -11.371 10.432 1.841 245 1HD2 LEU 32 1HD2 LEU 32 -11.862 7.771 3.316 246 2HD2 LEU 32 2HD2 LEU 32 -13.315 8.324 4.182 247 3HD2 LEU 32 3HD2 LEU 32 -13.082 8.762 2.482 248 H THR 33 H THR 33 -11.329 8.808 7.724 249 HA THR 33 HA THR 33 -8.965 9.709 9.257 250 HB THR 33 HB THR 33 -11.634 8.853 10.450 251 HG1 THR 33 HG1 THR 33 -10.541 11.261 9.791 252 1HG2 THR 33 1HG2 THR 33 -9.722 8.047 11.820 253 2HG2 THR 33 2HG2 THR 33 -9.015 9.681 11.803 254 3HG2 THR 33 3HG2 THR 33 -10.558 9.385 12.628 255 H PHE 34 H PHE 34 -7.579 8.037 9.315 256 HA PHE 34 HA PHE 34 -8.074 5.587 7.998 257 1HB PHE 34 1HB PHE 34 -5.872 6.264 8.252 258 2HB PHE 34 2HB PHE 34 -6.000 6.510 10.004 259 HD1 PHE 34 HD1 PHE 34 -5.677 3.989 7.293 260 HD2 PHE 34 HD2 PHE 34 -5.893 4.614 11.560 261 HE1 PHE 34 HE1 PHE 34 -4.884 1.689 7.683 262 HE2 PHE 34 HE2 PHE 34 -5.013 2.332 11.937 263 HZ PHE 34 HZ PHE 34 -4.464 0.881 10.004 264 H ASN 35 H ASN 35 -8.917 3.698 8.612 265 HA ASN 35 HA ASN 35 -9.996 3.488 11.407 266 1HB ASN 35 1HB ASN 35 -11.484 3.536 9.238 267 2HB ASN 35 2HB ASN 35 -11.020 1.863 9.088 268 1HD2 ASN 35 1HD2 ASN 35 -13.585 3.588 10.175 269 2HD2 ASN 35 2HD2 ASN 35 -14.024 2.580 11.527 270 H LYS 36 H LYS 36 -9.009 1.362 8.717 271 HA LYS 36 HA LYS 36 -6.823 0.244 10.121 272 1HB LYS 36 1HB LYS 36 -7.439 -2.017 10.562 273 2HB LYS 36 2HB LYS 36 -8.410 -0.943 11.523 274 1HG LYS 36 1HG LYS 36 -9.425 -2.229 8.939 275 2HG LYS 36 2HG LYS 36 -9.523 -2.969 10.538 276 1HD LYS 36 1HD LYS 36 -10.710 -0.806 11.315 277 2HD LYS 36 2HD LYS 36 -10.874 -0.423 9.596 278 1HE LYS 36 1HE LYS 36 -12.907 -1.458 10.294 279 2HE LYS 36 2HE LYS 36 -12.059 -2.649 9.291 280 1HZ LYS 36 1HZ LYS 36 -11.319 -3.701 11.317 281 2HZ LYS 36 2HZ LYS 36 -12.077 -2.562 12.232 282 3HZ LYS 36 3HZ LYS 36 -12.961 -3.592 11.300 283 H VAL 37 H VAL 37 -6.320 -2.123 8.913 284 HA VAL 37 HA VAL 37 -6.700 -1.744 5.991 285 HB VAL 37 HB VAL 37 -4.224 -2.848 7.397 286 1HG1 VAL 37 1HG1 VAL 37 -4.677 -3.759 5.116 287 2HG1 VAL 37 2HG1 VAL 37 -4.681 -2.105 4.473 288 3HG1 VAL 37 3HG1 VAL 37 -3.208 -2.785 5.195 289 1HG2 VAL 37 1HG2 VAL 37 -4.664 -0.123 6.130 290 2HG2 VAL 37 2HG2 VAL 37 -4.218 -0.481 7.818 291 3HG2 VAL 37 3HG2 VAL 37 -3.067 -0.796 6.514 292 H ILE 38 H ILE 38 -7.236 -3.730 4.935 293 HA ILE 38 HA ILE 38 -7.106 -6.194 6.515 294 HB ILE 38 HB ILE 38 -9.446 -6.838 6.033 295 1HG1 ILE 38 1HG1 ILE 38 -11.125 -4.992 5.816 296 2HG1 ILE 38 2HG1 ILE 38 -9.838 -3.895 5.305 297 1HG2 ILE 38 1HG2 ILE 38 -8.695 -6.030 8.257 298 2HG2 ILE 38 2HG2 ILE 38 -9.272 -4.403 7.823 299 3HG2 ILE 38 3HG2 ILE 38 -10.411 -5.753 7.930 300 1HD1 ILE 38 1HD1 ILE 38 -9.500 -5.210 3.280 301 2HD1 ILE 38 2HD1 ILE 38 -10.516 -6.532 3.917 302 3HD1 ILE 38 3HD1 ILE 38 -11.241 -4.982 3.477 303 H ARG 39 H ARG 39 -7.822 -8.073 5.146 304 HA ARG 39 HA ARG 39 -5.988 -8.184 3.046 305 1HB ARG 39 1HB ARG 39 -7.173 -10.398 2.519 306 2HB ARG 39 2HB ARG 39 -6.458 -10.213 4.114 307 1HG ARG 39 1HG ARG 39 -9.319 -9.361 3.936 308 2HG ARG 39 2HG ARG 39 -9.035 -11.059 3.586 309 1HD ARG 39 1HD ARG 39 -8.118 -11.512 5.731 310 2HD ARG 39 2HD ARG 39 -7.784 -9.826 6.067 311 HE ARG 39 HE ARG 39 -9.873 -9.512 6.868 312 1HH1 ARG 39 1HH1 ARG 39 -9.906 -12.481 4.956 313 2HH1 ARG 39 2HH1 ARG 39 -11.526 -12.929 5.418 314 1HH2 ARG 39 1HH2 ARG 39 -11.983 -10.075 7.477 315 2HH2 ARG 39 2HH2 ARG 39 -12.725 -11.531 6.878 316 HA PRO 40 HA PRO 40 -5.641 -9.340 1.049 317 1HB PRO 40 1HB PRO 40 -4.858 -8.705 -1.462 318 2HB PRO 40 2HB PRO 40 -6.207 -9.833 -1.137 319 1HG PRO 40 1HG PRO 40 -6.377 -6.891 -1.785 320 2HG PRO 40 2HG PRO 40 -7.290 -8.221 -2.553 321 1HD PRO 40 1HD PRO 40 -8.362 -6.716 -0.516 322 2HD PRO 40 2HD PRO 40 -8.703 -8.460 -0.660 323 H CYS 41 H CYS 41 -3.439 -8.757 1.197 324 HA CYS 41 HA CYS 41 -2.650 -5.929 1.018 325 1HB CYS 41 1HB CYS 41 -2.133 -7.716 3.467 326 2HB CYS 41 2HB CYS 41 -1.567 -6.065 3.180 327 HG CYS 41 HG CYS 41 -4.361 -5.479 2.717 328 H MET 42 H MET 42 -1.446 -6.533 -0.865 329 HA MET 42 HA MET 42 0.376 -8.870 -0.542 330 1HB MET 42 1HB MET 42 -1.678 -8.695 -2.227 331 2HB MET 42 2HB MET 42 -0.487 -7.856 -3.220 332 1HG MET 42 1HG MET 42 1.042 -9.888 -2.785 333 2HG MET 42 2HG MET 42 -0.345 -10.650 -2.006 334 1HE MET 42 1HE MET 42 1.253 -12.054 -4.257 335 2HE MET 42 2HE MET 42 -0.207 -12.774 -3.536 336 3HE MET 42 3HE MET 42 -0.039 -12.685 -5.306 337 H LYS 43 H LYS 43 2.493 -8.487 -0.474 338 HA LYS 43 HA LYS 43 3.572 -5.858 -1.410 339 1HB LYS 43 1HB LYS 43 4.079 -6.460 0.847 340 2HB LYS 43 2HB LYS 43 4.580 -8.095 0.356 341 1HG LYS 43 1HG LYS 43 6.519 -7.103 -0.883 342 2HG LYS 43 2HG LYS 43 6.033 -5.497 -0.300 343 1HD LYS 43 1HD LYS 43 6.352 -6.280 2.045 344 2HD LYS 43 2HD LYS 43 6.595 -7.936 1.479 345 1HE LYS 43 1HE LYS 43 8.740 -7.002 1.991 346 2HE LYS 43 2HE LYS 43 8.615 -7.250 0.238 347 1HZ LYS 43 1HZ LYS 43 8.137 -4.923 0.007 348 2HZ LYS 43 2HZ LYS 43 8.261 -4.674 1.629 349 3HZ LYS 43 3HZ LYS 43 9.582 -5.137 0.763 350 H LYS 44 H LYS 44 4.986 -5.697 -3.103 351 HA LYS 44 HA LYS 44 6.177 -8.150 -4.329 352 1HB LYS 44 1HB LYS 44 4.323 -7.052 -5.729 353 2HB LYS 44 2HB LYS 44 5.351 -5.640 -5.812 354 1HG LYS 44 1HG LYS 44 7.147 -7.161 -6.855 355 2HG LYS 44 2HG LYS 44 5.893 -8.401 -6.956 356 1HD LYS 44 1HD LYS 44 4.540 -6.830 -8.355 357 2HD LYS 44 2HD LYS 44 5.781 -5.593 -8.188 358 1HE LYS 44 1HE LYS 44 6.338 -8.340 -9.396 359 2HE LYS 44 2HE LYS 44 5.844 -6.933 -10.354 360 1HZ LYS 44 1HZ LYS 44 7.756 -5.777 -9.655 361 2HZ LYS 44 2HZ LYS 44 8.236 -6.974 -8.641 362 3HZ LYS 44 3HZ LYS 44 8.226 -7.228 -10.272 363 H THR 45 H THR 45 8.335 -7.783 -5.138 364 HA THR 45 HA THR 45 9.807 -5.466 -4.042 365 HB THR 45 HB THR 45 10.723 -7.998 -5.447 366 HG1 THR 45 HG1 THR 45 10.823 -8.783 -3.482 367 1HG2 THR 45 1HG2 THR 45 12.401 -6.203 -5.733 368 2HG2 THR 45 2HG2 THR 45 12.310 -5.830 -3.998 369 3HG2 THR 45 3HG2 THR 45 12.959 -7.390 -4.543 370 H ILE 46 H ILE 46 10.757 -3.902 -5.351 371 HA ILE 46 HA ILE 46 10.020 -3.936 -8.223 372 HB ILE 46 HB ILE 46 9.317 -2.040 -6.308 373 1HG1 ILE 46 1HG1 ILE 46 8.590 -0.736 -8.385 374 2HG1 ILE 46 2HG1 ILE 46 9.322 -2.027 -9.345 375 1HG2 ILE 46 1HG2 ILE 46 11.538 -0.973 -6.364 376 2HG2 ILE 46 2HG2 ILE 46 11.408 -0.788 -8.130 377 3HG2 ILE 46 3HG2 ILE 46 10.294 0.062 -7.046 378 1HD1 ILE 46 1HD1 ILE 46 7.790 -3.666 -8.131 379 2HD1 ILE 46 2HD1 ILE 46 7.136 -2.276 -7.243 380 3HD1 ILE 46 3HD1 ILE 46 6.898 -2.396 -8.995 381 H TYR 47 H TYR 47 11.599 -4.132 -9.613 382 HA TYR 47 HA TYR 47 14.315 -3.245 -8.924 383 1HB TYR 47 1HB TYR 47 15.225 -5.424 -9.681 384 2HB TYR 47 2HB TYR 47 14.200 -5.596 -8.260 385 HD1 TYR 47 HD1 TYR 47 12.380 -7.062 -8.201 386 HD2 TYR 47 HD2 TYR 47 14.306 -6.130 -11.948 387 HE1 TYR 47 HE1 TYR 47 11.404 -9.079 -9.208 388 HE2 TYR 47 HE2 TYR 47 13.284 -8.102 -12.972 389 HH TYR 47 HH TYR 47 11.855 -9.909 -12.669 390 H GLU 48 H GLU 48 15.770 -3.296 -10.774 391 HA GLU 48 HA GLU 48 14.438 -2.822 -13.378 392 1HB GLU 48 1HB GLU 48 17.176 -1.802 -12.507 393 2HB GLU 48 2HB GLU 48 16.240 -1.348 -13.934 394 1HG GLU 48 1HG GLU 48 15.632 -0.658 -11.023 395 2HG GLU 48 2HG GLU 48 16.141 0.444 -12.302 396 H ASN 49 H ASN 49 15.778 -3.546 -15.087 397 HA ASN 49 HA ASN 49 16.151 -6.288 -15.013 398 1HB ASN 49 1HB ASN 49 17.201 -4.256 -17.032 399 2HB ASN 49 2HB ASN 49 17.296 -6.004 -17.244 400 1HD2 ASN 49 1HD2 ASN 49 15.209 -3.233 -17.560 401 2HD2 ASN 49 2HD2 ASN 49 13.776 -4.150 -17.985 402 H GLU 50 H GLU 50 18.931 -4.085 -15.668 403 HA GLU 50 HA GLU 50 21.153 -4.355 -15.326 404 1HB GLU 50 1HB GLU 50 20.417 -4.027 -13.052 405 2HB GLU 50 2HB GLU 50 20.158 -5.750 -12.786 406 1HG GLU 50 1HG GLU 50 22.154 -4.822 -11.674 407 2HG GLU 50 2HG GLU 50 22.519 -6.181 -12.710 408 H GLY 51 H GLY 51 22.871 -6.370 -14.666 409 1HA GLY 51 1HA GLY 51 22.446 -8.413 -16.659 410 2HA GLY 51 2HA GLY 51 23.766 -8.304 -15.484 411 H PHE 52 H PHE 52 20.699 -8.243 -13.904 412 HA PHE 52 HA PHE 52 20.080 -10.983 -13.958 413 1HB PHE 52 1HB PHE 52 22.276 -10.615 -12.340 414 2HB PHE 52 2HB PHE 52 21.014 -10.431 -11.154 415 HD1 PHE 52 HD1 PHE 52 22.743 -12.727 -13.418 416 HD2 PHE 52 HD2 PHE 52 19.401 -12.323 -10.720 417 HE1 PHE 52 HE1 PHE 52 22.589 -15.193 -13.237 418 HE2 PHE 52 HE2 PHE 52 19.233 -14.793 -10.568 419 HZ PHE 52 HZ PHE 52 20.836 -16.232 -11.811 420 H ARG 53 H ARG 53 20.106 -8.574 -11.292 421 HA ARG 53 HA ARG 53 17.580 -7.418 -11.888 422 1HB ARG 53 1HB ARG 53 17.725 -9.505 -9.671 423 2HB ARG 53 2HB ARG 53 16.774 -8.040 -9.453 424 1HG ARG 53 1HG ARG 53 15.071 -8.985 -10.451 425 2HG ARG 53 2HG ARG 53 15.949 -8.902 -11.980 426 1HD ARG 53 1HD ARG 53 16.927 -11.202 -11.344 427 2HD ARG 53 2HD ARG 53 15.743 -11.205 -10.014 428 HE ARG 53 HE ARG 53 14.627 -10.600 -12.643 429 1HH1 ARG 53 1HH1 ARG 53 15.567 -13.259 -10.524 430 2HH1 ARG 53 2HH1 ARG 53 14.559 -14.439 -11.317 431 1HH2 ARG 53 1HH2 ARG 53 13.344 -12.132 -13.721 432 2HH2 ARG 53 2HH2 ARG 53 13.261 -13.779 -13.163 433 H GLU 54 H GLU 54 17.625 -5.407 -10.978 434 HA GLU 54 HA GLU 54 19.578 -4.800 -8.844 435 1HB GLU 54 1HB GLU 54 20.141 -3.629 -10.901 436 2HB GLU 54 2HB GLU 54 18.462 -3.104 -11.099 437 1HG GLU 54 1HG GLU 54 18.802 -1.821 -8.853 438 2HG GLU 54 2HG GLU 54 20.523 -2.159 -9.076 439 H ILE 55 H ILE 55 18.150 -5.231 -7.086 440 HA ILE 55 HA ILE 55 15.400 -4.353 -7.050 441 HB ILE 55 HB ILE 55 17.293 -5.118 -4.810 442 1HG1 ILE 55 1HG1 ILE 55 15.008 -6.661 -6.142 443 2HG1 ILE 55 2HG1 ILE 55 16.716 -6.899 -6.523 444 1HG2 ILE 55 1HG2 ILE 55 15.503 -3.659 -3.943 445 2HG2 ILE 55 2HG2 ILE 55 14.280 -4.604 -4.810 446 3HG2 ILE 55 3HG2 ILE 55 15.178 -5.311 -3.452 447 1HD1 ILE 55 1HD1 ILE 55 17.157 -7.526 -4.152 448 2HD1 ILE 55 2HD1 ILE 55 15.405 -7.476 -3.846 449 3HD1 ILE 55 3HD1 ILE 55 16.064 -8.624 -5.017 450 H LYS 56 H LYS 56 14.737 -2.326 -7.077 451 HA LYS 56 HA LYS 56 16.536 -0.166 -6.086 452 1HB LYS 56 1HB LYS 56 15.348 -0.038 -8.356 453 2HB LYS 56 2HB LYS 56 13.841 0.148 -7.436 454 1HG LYS 56 1HG LYS 56 15.100 2.087 -6.191 455 2HG LYS 56 2HG LYS 56 16.290 1.965 -7.486 456 1HD LYS 56 1HD LYS 56 13.308 2.573 -7.769 457 2HD LYS 56 2HD LYS 56 14.630 3.742 -7.880 458 1HE LYS 56 1HE LYS 56 15.527 2.497 -9.876 459 2HE LYS 56 2HE LYS 56 14.126 1.410 -9.782 460 1HZ LYS 56 1HZ LYS 56 12.709 3.296 -10.105 461 2HZ LYS 56 2HZ LYS 56 14.006 4.307 -10.210 462 3HZ LYS 56 3HZ LYS 56 13.772 3.143 -11.353 463 H GLY 57 H GLY 57 13.473 -1.934 -5.451 464 1HA GLY 57 1HA GLY 57 13.213 -0.958 -2.753 465 2HA GLY 57 2HA GLY 57 12.303 0.023 -3.928 466 H TYR 58 H TYR 58 10.282 -0.643 -3.037 467 HA TYR 58 HA TYR 58 9.340 -3.304 -3.893 468 1HB TYR 58 1HB TYR 58 8.839 -2.280 -1.086 469 2HB TYR 58 2HB TYR 58 8.494 -3.864 -1.755 470 HD1 TYR 58 HD1 TYR 58 11.062 -1.651 -0.343 471 HD2 TYR 58 HD2 TYR 58 10.301 -5.597 -1.880 472 HE1 TYR 58 HE1 TYR 58 13.377 -2.314 0.218 473 HE2 TYR 58 HE2 TYR 58 12.625 -6.251 -1.366 474 HH TYR 58 HH TYR 58 14.691 -5.538 -0.595 475 H GLU 59 H GLU 59 6.927 -3.448 -3.545 476 HA GLU 59 HA GLU 59 5.604 -0.930 -3.116 477 1HB GLU 59 1HB GLU 59 4.077 -1.184 -4.982 478 2HB GLU 59 2HB GLU 59 5.731 -1.021 -5.585 479 1HG GLU 59 1HG GLU 59 5.822 -3.493 -5.889 480 2HG GLU 59 2HG GLU 59 4.167 -3.637 -5.269 481 H TYR 60 H TYR 60 3.383 -1.134 -2.558 482 HA TYR 60 HA TYR 60 2.685 -3.769 -1.345 483 1HB TYR 60 1HB TYR 60 2.456 -1.074 0.027 484 2HB TYR 60 2HB TYR 60 2.092 -2.649 0.692 485 HD1 TYR 60 HD1 TYR 60 3.820 -3.962 1.750 486 HD2 TYR 60 HD2 TYR 60 4.874 -0.431 -0.483 487 HE1 TYR 60 HE1 TYR 60 6.126 -4.062 2.661 488 HE2 TYR 60 HE2 TYR 60 7.204 -0.634 0.293 489 HH TYR 60 HH TYR 60 8.686 -1.795 1.659 490 H GLN 61 H GLN 61 0.741 -4.275 -2.170 491 HA GLN 61 HA GLN 61 -1.119 -2.108 -3.058 492 1HB GLN 61 1HB GLN 61 -0.103 -3.528 -4.827 493 2HB GLN 61 2HB GLN 61 -0.837 -4.962 -4.101 494 1HG GLN 61 1HG GLN 61 -2.427 -2.510 -4.985 495 2HG GLN 61 2HG GLN 61 -2.039 -3.828 -6.090 496 1HE2 GLN 61 1HE2 GLN 61 -2.794 -6.052 -5.513 497 2HE2 GLN 61 2HE2 GLN 61 -4.294 -6.188 -4.615 498 H LEU 62 H LEU 62 -2.643 -1.870 -1.422 499 HA LEU 62 HA LEU 62 -3.760 -4.280 -0.198 500 1HB LEU 62 1HB LEU 62 -3.077 -3.866 2.014 501 2HB LEU 62 2HB LEU 62 -1.617 -3.872 1.023 502 HG LEU 62 HG LEU 62 -3.001 -1.479 2.293 503 1HD1 LEU 62 1HD1 LEU 62 -1.613 -3.082 3.687 504 2HD1 LEU 62 2HD1 LEU 62 -0.215 -2.655 2.694 505 3HD1 LEU 62 3HD1 LEU 62 -1.014 -1.410 3.679 506 1HD2 LEU 62 1HD2 LEU 62 -0.544 -1.541 0.479 507 2HD2 LEU 62 2HD2 LEU 62 -2.056 -0.638 0.211 508 3HD2 LEU 62 3HD2 LEU 62 -0.982 -0.183 1.534 509 H TYR 63 H TYR 63 -5.608 -4.002 1.108 510 HA TYR 63 HA TYR 63 -7.153 -1.670 0.231 511 1HB TYR 63 1HB TYR 63 -7.770 -4.480 1.112 512 2HB TYR 63 2HB TYR 63 -8.986 -3.226 1.107 513 HD1 TYR 63 HD1 TYR 63 -6.325 -4.580 -1.214 514 HD2 TYR 63 HD2 TYR 63 -10.277 -2.886 -0.847 515 HE1 TYR 63 HE1 TYR 63 -6.703 -4.923 -3.623 516 HE2 TYR 63 HE2 TYR 63 -10.681 -3.317 -3.242 517 HH TYR 63 HH TYR 63 -8.180 -4.716 -5.377 518 H VAL 64 H VAL 64 -7.506 -0.048 1.508 519 HA VAL 64 HA VAL 64 -7.061 -0.259 4.446 520 HB VAL 64 HB VAL 64 -6.824 2.142 2.594 521 1HG1 VAL 64 1HG1 VAL 64 -7.344 2.815 4.886 522 2HG1 VAL 64 2HG1 VAL 64 -6.116 1.708 5.531 523 3HG1 VAL 64 3HG1 VAL 64 -5.629 3.118 4.576 524 1HG2 VAL 64 1HG2 VAL 64 -4.645 0.369 3.782 525 2HG2 VAL 64 2HG2 VAL 64 -5.042 0.536 2.059 526 3HG2 VAL 64 3HG2 VAL 64 -4.378 1.910 2.943 527 H TYR 65 H TYR 65 -8.783 0.183 5.776 528 HA TYR 65 HA TYR 65 -11.308 1.195 4.655 529 1HB TYR 65 1HB TYR 65 -10.447 -0.286 7.117 530 2HB TYR 65 2HB TYR 65 -11.723 0.900 7.289 531 HD1 TYR 65 HD1 TYR 65 -11.330 -2.483 6.869 532 HD2 TYR 65 HD2 TYR 65 -13.589 0.865 5.371 533 HE1 TYR 65 HE1 TYR 65 -13.204 -3.997 6.291 534 HE2 TYR 65 HE2 TYR 65 -15.430 -0.662 4.725 535 HH TYR 65 HH TYR 65 -15.271 -4.188 5.296 536 H ALA 66 H ALA 66 -11.489 3.317 4.523 537 HA ALA 66 HA ALA 66 -10.211 5.071 6.577 538 1HB ALA 66 1HB ALA 66 -9.141 5.265 4.351 539 2HB ALA 66 2HB ALA 66 -10.716 5.626 3.621 540 3HB ALA 66 3HB ALA 66 -10.000 6.755 4.796 541 H SER 67 H SER 67 -11.668 5.964 7.802 542 HA SER 67 HA SER 67 -13.428 6.959 8.696 543 1HB SER 67 1HB SER 67 -13.775 8.296 6.628 544 2HB SER 67 2HB SER 67 -14.809 7.018 5.962 545 HG SER 67 HG SER 67 -15.967 8.677 7.085 546 H ASP 68 H ASP 68 -14.508 4.927 6.179 547 HA ASP 68 HA ASP 68 -14.745 2.489 7.381 548 1HB ASP 68 1HB ASP 68 -16.572 3.489 8.844 549 2HB ASP 68 2HB ASP 68 -17.527 3.759 7.378 550 H LYS 69 H LYS 69 -14.224 3.933 4.805 551 HA LYS 69 HA LYS 69 -15.894 2.276 2.955 552 1HB LYS 69 1HB LYS 69 -14.818 5.092 2.781 553 2HB LYS 69 2HB LYS 69 -14.691 4.063 1.354 554 1HG LYS 69 1HG LYS 69 -16.692 5.346 1.186 555 2HG LYS 69 2HG LYS 69 -17.109 3.637 1.366 556 1HD LYS 69 1HD LYS 69 -17.658 4.002 3.751 557 2HD LYS 69 2HD LYS 69 -17.141 5.699 3.625 558 1HE LYS 69 1HE LYS 69 -18.924 6.088 1.913 559 2HE LYS 69 2HE LYS 69 -19.431 4.395 2.070 560 1HZ LYS 69 1HZ LYS 69 -19.940 4.832 4.362 561 2HZ LYS 69 2HZ LYS 69 -19.478 6.407 4.207 562 3HZ LYS 69 3HZ LYS 69 -20.781 5.844 3.371 563 H LEU 70 H LEU 70 -14.691 0.831 1.742 564 HA LEU 70 HA LEU 70 -11.882 0.533 2.532 565 1HB LEU 70 1HB LEU 70 -13.585 -1.373 2.482 566 2HB LEU 70 2HB LEU 70 -13.566 -1.220 0.729 567 HG LEU 70 HG LEU 70 -11.000 -1.566 0.897 568 1HD1 LEU 70 1HD1 LEU 70 -10.795 -1.144 3.370 569 2HD1 LEU 70 2HD1 LEU 70 -11.814 -2.560 3.666 570 3HD1 LEU 70 3HD1 LEU 70 -10.214 -2.747 2.935 571 1HD2 LEU 70 1HD2 LEU 70 -12.885 -3.792 1.801 572 2HD2 LEU 70 2HD2 LEU 70 -12.572 -3.320 0.115 573 3HD2 LEU 70 3HD2 LEU 70 -11.280 -4.040 1.091 574 H PHE 71 H PHE 71 -10.269 1.314 1.282 575 HA PHE 71 HA PHE 71 -10.757 1.883 -1.621 576 1HB PHE 71 1HB PHE 71 -9.124 3.425 0.432 577 2HB PHE 71 2HB PHE 71 -8.956 3.628 -1.302 578 HD1 PHE 71 HD1 PHE 71 -11.318 4.071 1.553 579 HD2 PHE 71 HD2 PHE 71 -10.411 5.034 -2.547 580 HE1 PHE 71 HE1 PHE 71 -12.915 5.966 1.635 581 HE2 PHE 71 HE2 PHE 71 -12.063 6.874 -2.487 582 HZ PHE 71 HZ PHE 71 -13.312 7.356 -0.392 583 H ARG 72 H ARG 72 -9.014 1.332 -2.959 584 HA ARG 72 HA ARG 72 -7.086 -0.637 -1.837 585 1HB ARG 72 1HB ARG 72 -8.357 -1.286 -3.821 586 2HB ARG 72 2HB ARG 72 -7.750 0.110 -4.715 587 1HG ARG 72 1HG ARG 72 -5.786 -1.805 -3.410 588 2HG ARG 72 2HG ARG 72 -6.614 -2.319 -4.877 589 1HD ARG 72 1HD ARG 72 -4.942 0.221 -4.691 590 2HD ARG 72 2HD ARG 72 -4.410 -1.330 -5.348 591 HE ARG 72 HE ARG 72 -6.738 -0.811 -6.707 592 1HH1 ARG 72 1HH1 ARG 72 -3.709 0.957 -6.250 593 2HH1 ARG 72 2HH1 ARG 72 -3.793 1.770 -7.790 594 1HH2 ARG 72 1HH2 ARG 72 -6.780 0.146 -8.779 595 2HH2 ARG 72 2HH2 ARG 72 -5.546 1.285 -9.253 596 H ALA 73 H ALA 73 -4.988 0.010 -1.513 597 HA ALA 73 HA ALA 73 -4.096 2.616 -2.682 598 1HB ALA 73 1HB ALA 73 -2.817 3.009 -0.692 599 2HB ALA 73 2HB ALA 73 -4.512 2.768 -0.234 600 3HB ALA 73 3HB ALA 73 -3.335 1.460 0.021 601 H ASP 74 H ASP 74 -2.151 2.587 -3.667 602 HA ASP 74 HA ASP 74 -0.479 0.113 -3.610 603 1HB ASP 74 1HB ASP 74 -1.537 0.291 -5.775 604 2HB ASP 74 2HB ASP 74 -1.057 1.993 -5.921 605 H ILE 75 H ILE 75 1.419 0.558 -2.763 606 HA ILE 75 HA ILE 75 2.336 3.385 -2.337 607 HB ILE 75 HB ILE 75 2.895 1.077 -0.461 608 1HG1 ILE 75 1HG1 ILE 75 0.483 1.088 -0.457 609 2HG1 ILE 75 2HG1 ILE 75 1.124 1.709 1.057 610 1HG2 ILE 75 1HG2 ILE 75 4.301 3.026 -0.168 611 2HG2 ILE 75 2HG2 ILE 75 2.885 4.084 -0.032 612 3HG2 ILE 75 3HG2 ILE 75 3.212 2.866 1.211 613 1HD1 ILE 75 1HD1 ILE 75 0.655 4.022 0.351 614 2HD1 ILE 75 2HD1 ILE 75 0.038 3.434 -1.209 615 3HD1 ILE 75 3HD1 ILE 75 -0.791 2.999 0.294 616 H SER 76 H SER 76 4.721 3.585 -2.458 617 HA SER 76 HA SER 76 6.141 1.058 -3.086 618 1HB SER 76 1HB SER 76 5.842 2.284 -5.220 619 2HB SER 76 2HB SER 76 6.716 3.659 -4.513 620 HG SER 76 HG SER 76 7.788 1.017 -4.617 621 H GLU 77 H GLU 77 8.380 1.104 -2.538 622 HA GLU 77 HA GLU 77 9.249 3.232 -0.702 623 1HB GLU 77 1HB GLU 77 8.411 1.396 0.724 624 2HB GLU 77 2HB GLU 77 9.456 0.236 -0.113 625 1HG GLU 77 1HG GLU 77 10.774 2.633 1.165 626 2HG GLU 77 2HG GLU 77 10.074 1.422 2.237 627 H ASP 78 H ASP 78 11.288 3.860 -1.150 628 HA ASP 78 HA ASP 78 12.755 2.305 -3.257 629 1HB ASP 78 1HB ASP 78 12.149 4.660 -3.807 630 2HB ASP 78 2HB ASP 78 13.178 5.204 -2.471 631 H TYR 79 H TYR 79 14.434 1.139 -2.536 632 HA TYR 79 HA TYR 79 15.026 1.020 0.228 633 1HB TYR 79 1HB TYR 79 15.118 -0.870 -1.393 634 2HB TYR 79 2HB TYR 79 16.566 -0.163 -2.109 635 HD1 TYR 79 HD1 TYR 79 18.693 -0.790 -1.221 636 HD2 TYR 79 HD2 TYR 79 15.161 -1.286 1.203 637 HE1 TYR 79 HE1 TYR 79 20.034 -1.950 0.514 638 HE2 TYR 79 HE2 TYR 79 16.488 -2.483 2.902 639 HH TYR 79 HH TYR 79 18.545 -3.404 3.404 640 H LYS 80 H LYS 80 16.467 3.003 -2.326 641 HA LYS 80 HA LYS 80 19.052 3.343 -1.249 642 1HB LYS 80 1HB LYS 80 17.221 5.237 -2.791 643 2HB LYS 80 2HB LYS 80 18.928 5.515 -2.483 644 1HG LYS 80 1HG LYS 80 19.603 3.586 -3.749 645 2HG LYS 80 2HG LYS 80 17.929 3.041 -3.959 646 1HD LYS 80 1HD LYS 80 17.376 4.998 -5.290 647 2HD LYS 80 2HD LYS 80 18.980 5.706 -5.006 648 1HE LYS 80 1HE LYS 80 20.059 3.859 -6.217 649 2HE LYS 80 2HE LYS 80 18.497 3.042 -6.428 650 1HZ LYS 80 1HZ LYS 80 17.769 4.885 -7.743 651 2HZ LYS 80 2HZ LYS 80 19.202 5.673 -7.528 652 3HZ LYS 80 3HZ LYS 80 19.157 4.257 -8.369 653 H THR 81 H THR 81 15.954 4.882 -0.472 654 HA THR 81 HA THR 81 17.239 6.393 1.782 655 HB THR 81 HB THR 81 14.514 6.804 0.499 656 HG1 THR 81 HG1 THR 81 16.454 7.217 -0.828 657 1HG2 THR 81 1HG2 THR 81 14.618 7.762 2.768 658 2HG2 THR 81 2HG2 THR 81 16.177 8.531 2.391 659 3HG2 THR 81 3HG2 THR 81 14.697 9.057 1.566 660 H ARG 82 H ARG 82 15.260 3.660 0.969 661 HA ARG 82 HA ARG 82 13.873 2.311 2.028 662 1HB ARG 82 1HB ARG 82 15.174 3.232 4.623 663 2HB ARG 82 2HB ARG 82 14.155 1.810 4.355 664 1HG ARG 82 1HG ARG 82 15.817 0.861 2.800 665 2HG ARG 82 2HG ARG 82 16.876 2.266 3.061 666 1HD ARG 82 1HD ARG 82 17.060 1.767 5.425 667 2HD ARG 82 2HD ARG 82 15.921 0.404 5.279 668 HE ARG 82 HE ARG 82 17.947 -0.135 3.453 669 1HH1 ARG 82 1HH1 ARG 82 17.757 0.418 6.932 670 2HH1 ARG 82 2HH1 ARG 82 19.098 -0.623 7.327 671 1HH2 ARG 82 1HH2 ARG 82 19.626 -1.644 3.970 672 2HH2 ARG 82 2HH2 ARG 82 20.224 -1.742 5.604 673 H GLY 83 H GLY 83 12.978 4.819 1.254 674 1HA GLY 83 1HA GLY 83 11.149 5.779 3.437 675 2HA GLY 83 2HA GLY 83 11.809 6.781 2.144 676 H ARG 84 H ARG 84 8.955 5.799 2.981 677 HA ARG 84 HA ARG 84 8.125 4.401 0.563 678 1HB ARG 84 1HB ARG 84 6.354 5.241 2.812 679 2HB ARG 84 2HB ARG 84 6.134 3.948 1.643 680 1HG ARG 84 1HG ARG 84 6.782 2.645 3.319 681 2HG ARG 84 2HG ARG 84 8.406 3.031 2.781 682 1HD ARG 84 1HD ARG 84 7.234 4.956 4.771 683 2HD ARG 84 2HD ARG 84 7.391 3.296 5.352 684 HE ARG 84 HE ARG 84 9.863 3.826 4.240 685 1HH1 ARG 84 1HH1 ARG 84 7.847 5.164 6.821 686 2HH1 ARG 84 2HH1 ARG 84 9.197 5.584 7.840 687 1HH2 ARG 84 1HH2 ARG 84 11.618 4.377 5.542 688 2HH2 ARG 84 2HH2 ARG 84 11.387 5.129 7.104 689 H LYS 85 H LYS 85 6.161 5.066 -0.521 690 HA LYS 85 HA LYS 85 5.189 7.765 -0.264 691 1HB LYS 85 1HB LYS 85 5.688 8.520 -2.507 692 2HB LYS 85 2HB LYS 85 7.165 8.169 -1.621 693 1HG LYS 85 1HG LYS 85 7.768 7.179 -3.568 694 2HG LYS 85 2HG LYS 85 6.985 5.796 -2.813 695 1HD LYS 85 1HD LYS 85 6.227 5.886 -5.074 696 2HD LYS 85 2HD LYS 85 4.862 6.438 -4.110 697 1HE LYS 85 1HE LYS 85 5.549 8.832 -4.661 698 2HE LYS 85 2HE LYS 85 6.826 8.163 -5.691 699 1HZ LYS 85 1HZ LYS 85 5.075 7.072 -6.946 700 2HZ LYS 85 2HZ LYS 85 3.933 7.765 -5.973 701 3HZ LYS 85 3HZ LYS 85 4.887 8.710 -6.929 702 H LEU 86 H LEU 86 3.116 8.022 -1.002 703 HA LEU 86 HA LEU 86 1.562 5.688 -1.665 704 1HB LEU 86 1HB LEU 86 0.675 7.804 -0.593 705 2HB LEU 86 2HB LEU 86 0.948 8.628 -2.129 706 HG LEU 86 HG LEU 86 -0.532 6.411 -2.946 707 1HD1 LEU 86 1HD1 LEU 86 -0.851 5.806 -0.516 708 2HD1 LEU 86 2HD1 LEU 86 -1.747 7.328 -0.314 709 3HD1 LEU 86 3HD1 LEU 86 -2.353 6.071 -1.412 710 1HD2 LEU 86 1HD2 LEU 86 -1.607 9.118 -2.059 711 2HD2 LEU 86 2HD2 LEU 86 -0.892 8.740 -3.644 712 3HD2 LEU 86 3HD2 LEU 86 -2.411 7.974 -3.157 713 H LEU 87 H LEU 87 1.394 4.738 -3.689 714 HA LEU 87 HA LEU 87 2.645 6.096 -5.990 715 1HB LEU 87 1HB LEU 87 2.675 3.447 -5.171 716 2HB LEU 87 2HB LEU 87 1.434 3.429 -6.425 717 HG LEU 87 HG LEU 87 4.299 4.442 -6.677 718 1HD1 LEU 87 1HD1 LEU 87 3.951 1.936 -6.573 719 2HD1 LEU 87 2HD1 LEU 87 2.942 2.070 -8.024 720 3HD1 LEU 87 3HD1 LEU 87 4.657 2.513 -8.096 721 1HD2 LEU 87 1HD2 LEU 87 2.076 4.308 -8.762 722 2HD2 LEU 87 2HD2 LEU 87 2.876 5.782 -8.174 723 3HD2 LEU 87 3HD2 LEU 87 3.792 4.607 -9.120 724 H ARG 88 H ARG 88 -0.416 4.446 -5.062 725 HA ARG 88 HA ARG 88 -2.029 6.482 -6.426 726 1HB ARG 88 1HB ARG 88 -1.847 3.593 -7.338 727 2HB ARG 88 2HB ARG 88 -3.373 4.465 -7.465 728 1HG ARG 88 1HG ARG 88 -2.419 6.175 -8.866 729 2HG ARG 88 2HG ARG 88 -0.796 5.482 -8.721 730 1HD ARG 88 1HD ARG 88 -3.162 3.993 -9.919 731 2HD ARG 88 2HD ARG 88 -1.948 4.910 -10.841 732 HE ARG 88 HE ARG 88 -0.667 3.048 -9.070 733 1HH1 ARG 88 1HH1 ARG 88 -2.404 3.193 -12.139 734 2HH1 ARG 88 2HH1 ARG 88 -1.538 1.864 -12.857 735 1HH2 ARG 88 1HH2 ARG 88 0.445 1.294 -9.957 736 2HH2 ARG 88 2HH2 ARG 88 0.131 0.767 -11.589 737 H PHE 89 H PHE 89 -4.274 6.297 -5.845 738 HA PHE 89 HA PHE 89 -5.021 4.511 -3.622 739 1HB PHE 89 1HB PHE 89 -4.259 6.627 -2.576 740 2HB PHE 89 2HB PHE 89 -5.308 7.547 -3.643 741 HD1 PHE 89 HD1 PHE 89 -5.173 5.282 -0.711 742 HD2 PHE 89 HD2 PHE 89 -7.727 7.659 -3.252 743 HE1 PHE 89 HE1 PHE 89 -6.917 5.303 1.054 744 HE2 PHE 89 HE2 PHE 89 -9.453 7.694 -1.473 745 HZ PHE 89 HZ PHE 89 -9.053 6.531 0.679 746 H ASN 90 H ASN 90 -6.975 3.605 -4.272 747 HA ASN 90 HA ASN 90 -8.683 5.081 -6.215 748 1HB ASN 90 1HB ASN 90 -7.682 2.219 -6.354 749 2HB ASN 90 2HB ASN 90 -8.961 2.873 -7.348 750 1HD2 ASN 90 1HD2 ASN 90 -8.440 3.922 -9.279 751 2HD2 ASN 90 2HD2 ASN 90 -6.794 4.318 -9.733 752 H GLY 91 H GLY 91 -10.836 4.521 -6.052 753 1HA GLY 91 1HA GLY 91 -12.367 2.708 -5.176 754 2HA GLY 91 2HA GLY 91 -11.655 3.057 -3.588 755 HA PRO 92 HA PRO 92 -13.286 3.106 -2.063 756 1HB PRO 92 1HB PRO 92 -15.959 2.750 -1.577 757 2HB PRO 92 2HB PRO 92 -14.968 4.075 -0.907 758 1HG PRO 92 1HG PRO 92 -16.733 4.162 -3.373 759 2HG PRO 92 2HG PRO 92 -16.720 5.318 -2.007 760 1HD PRO 92 1HD PRO 92 -15.344 5.821 -4.301 761 2HD PRO 92 2HD PRO 92 -14.630 6.237 -2.719 762 H VAL 93 H VAL 93 -13.538 0.846 -2.188 763 HA VAL 93 HA VAL 93 -15.039 -0.320 -4.426 764 HB VAL 93 HB VAL 93 -12.963 -1.881 -4.765 765 1HG1 VAL 93 1HG1 VAL 93 -13.977 -0.624 -6.550 766 2HG1 VAL 93 2HG1 VAL 93 -13.144 0.856 -6.055 767 3HG1 VAL 93 3HG1 VAL 93 -12.213 -0.522 -6.667 768 1HG2 VAL 93 1HG2 VAL 93 -11.489 0.677 -4.009 769 2HG2 VAL 93 2HG2 VAL 93 -11.513 -0.803 -3.030 770 3HG2 VAL 93 3HG2 VAL 93 -10.795 -0.819 -4.648 771 HA PRO 94 HA PRO 94 -15.607 -3.110 -0.934 772 1HB PRO 94 1HB PRO 94 -17.234 -4.990 -2.098 773 2HB PRO 94 2HB PRO 94 -17.813 -3.337 -1.738 774 1HG PRO 94 1HG PRO 94 -16.756 -4.408 -4.369 775 2HG PRO 94 2HG PRO 94 -18.270 -3.499 -4.093 776 1HD PRO 94 1HD PRO 94 -15.943 -2.322 -4.931 777 2HD PRO 94 2HD PRO 94 -17.089 -1.459 -3.859 778 HA PRO 95 HA PRO 95 -12.560 -6.237 -2.014 779 1HB PRO 95 1HB PRO 95 -13.164 -8.375 -0.413 780 2HB PRO 95 2HB PRO 95 -12.515 -6.839 0.236 781 1HG PRO 95 1HG PRO 95 -15.417 -7.706 0.096 782 2HG PRO 95 2HG PRO 95 -14.542 -7.049 1.510 783 1HD PRO 95 1HD PRO 95 -16.098 -5.490 -0.108 784 2HD PRO 95 2HD PRO 95 -14.602 -4.850 0.617 785 HA PRO 96 HA PRO 96 -14.815 -8.569 -5.120 786 1HB PRO 96 1HB PRO 96 -12.973 -10.422 -5.927 787 2HB PRO 96 2HB PRO 96 -12.815 -8.679 -6.287 788 1HG PRO 96 1HG PRO 96 -11.529 -10.213 -4.008 789 2HG PRO 96 2HG PRO 96 -10.731 -9.105 -5.164 790 1HD PRO 96 1HD PRO 96 -11.527 -8.272 -2.697 791 2HD PRO 96 2HD PRO 96 -11.700 -7.197 -4.117 Start of MODEL 20 1 1H GLY 1 1H GLY 1 11.781 -10.467 -6.459 2 2H GLY 1 2H GLY 1 12.755 -11.756 -6.170 3 3H GLY 1 3H GLY 1 13.420 -10.252 -6.349 4 1HA GLY 1 1HA GLY 1 13.385 -10.913 -4.048 5 2HA GLY 1 2HA GLY 1 12.373 -9.489 -4.341 6 H GLU 2 H GLU 2 11.766 -10.706 -2.119 7 HA GLU 2 HA GLU 2 10.075 -13.039 -2.368 8 1HB GLU 2 1HB GLU 2 9.716 -12.722 0.054 9 2HB GLU 2 2HB GLU 2 11.401 -12.903 -0.419 10 1HG GLU 2 1HG GLU 2 10.243 -10.119 0.000 11 2HG GLU 2 2HG GLU 2 10.709 -11.125 1.370 12 H TRP 3 H TRP 3 8.722 -11.843 -4.060 13 HA TRP 3 HA TRP 3 6.627 -10.124 -3.160 14 1HB TRP 3 1HB TRP 3 6.496 -10.136 -5.382 15 2HB TRP 3 2HB TRP 3 7.144 -11.779 -5.539 16 HD1 TRP 3 HD1 TRP 3 5.486 -13.507 -6.409 17 HE1 TRP 3 HE1 TRP 3 2.964 -13.863 -6.345 18 HE3 TRP 3 HE3 TRP 3 4.144 -9.210 -4.060 19 HZ2 TRP 3 HZ2 TRP 3 0.647 -12.545 -5.143 20 HZ3 TRP 3 HZ3 TRP 3 1.939 -8.990 -3.009 21 HH2 TRP 3 HH2 TRP 3 0.087 -10.593 -3.733 22 H GLU 4 H GLU 4 4.890 -10.583 -1.729 23 HA GLU 4 HA GLU 4 3.638 -13.136 -1.698 24 1HB GLU 4 1HB GLU 4 5.805 -13.736 -0.511 25 2HB GLU 4 2HB GLU 4 5.443 -12.506 0.700 26 1HG GLU 4 1HG GLU 4 5.003 -14.874 1.374 27 2HG GLU 4 2HG GLU 4 3.592 -13.847 1.533 28 H ILE 5 H ILE 5 1.971 -13.191 0.067 29 HA ILE 5 HA ILE 5 0.864 -10.516 0.592 30 HB ILE 5 HB ILE 5 -0.043 -13.174 1.688 31 1HG1 ILE 5 1HG1 ILE 5 -0.086 -13.438 -0.736 32 2HG1 ILE 5 2HG1 ILE 5 -1.726 -13.288 -0.124 33 1HG2 ILE 5 1HG2 ILE 5 -1.016 -11.324 2.879 34 2HG2 ILE 5 2HG2 ILE 5 -1.518 -10.546 1.369 35 3HG2 ILE 5 3HG2 ILE 5 -2.258 -12.076 1.875 36 1HD1 ILE 5 1HD1 ILE 5 -1.799 -10.910 -0.855 37 2HD1 ILE 5 2HD1 ILE 5 -0.125 -11.053 -1.437 38 3HD1 ILE 5 3HD1 ILE 5 -1.415 -12.003 -2.194 39 H ILE 6 H ILE 6 1.042 -9.471 2.561 40 HA ILE 6 HA ILE 6 2.594 -10.809 4.743 41 HB ILE 6 HB ILE 6 3.276 -8.653 5.479 42 1HG1 ILE 6 1HG1 ILE 6 2.114 -7.380 2.983 43 2HG1 ILE 6 2HG1 ILE 6 1.314 -7.353 4.566 44 1HG2 ILE 6 1HG2 ILE 6 4.941 -8.199 3.738 45 2HG2 ILE 6 2HG2 ILE 6 4.658 -9.940 3.859 46 3HG2 ILE 6 3HG2 ILE 6 3.931 -9.019 2.531 47 1HD1 ILE 6 1HD1 ILE 6 3.270 -6.224 5.573 48 2HD1 ILE 6 2HD1 ILE 6 4.035 -6.136 3.969 49 3HD1 ILE 6 3HD1 ILE 6 2.525 -5.277 4.280 50 H ASP 7 H ASP 7 1.970 -10.056 6.945 51 HA ASP 7 HA ASP 7 -0.854 -10.460 7.279 52 1HB ASP 7 1HB ASP 7 1.327 -9.723 9.281 53 2HB ASP 7 2HB ASP 7 -0.310 -10.243 9.693 54 H ILE 8 H ILE 8 -2.277 -9.074 8.392 55 HA ILE 8 HA ILE 8 -1.792 -6.177 8.220 56 HB ILE 8 HB ILE 8 -4.320 -6.336 8.882 57 1HG1 ILE 8 1HG1 ILE 8 -5.566 -8.012 7.626 58 2HG1 ILE 8 2HG1 ILE 8 -4.099 -8.909 7.263 59 1HG2 ILE 8 1HG2 ILE 8 -3.335 -5.252 6.865 60 2HG2 ILE 8 2HG2 ILE 8 -3.285 -6.827 6.055 61 3HG2 ILE 8 3HG2 ILE 8 -4.838 -6.081 6.465 62 1HD1 ILE 8 1HD1 ILE 8 -3.851 -9.503 9.631 63 2HD1 ILE 8 2HD1 ILE 8 -5.142 -8.359 10.086 64 3HD1 ILE 8 3HD1 ILE 8 -5.517 -9.816 9.143 65 H GLY 9 H GLY 9 -1.665 -4.993 10.132 66 1HA GLY 9 1HA GLY 9 -2.267 -5.904 12.748 67 2HA GLY 9 2HA GLY 9 -0.606 -6.379 12.297 68 HA PRO 10 HA PRO 10 -0.816 -1.928 13.928 69 1HB PRO 10 1HB PRO 10 1.554 -2.040 15.379 70 2HB PRO 10 2HB PRO 10 -0.073 -2.411 16.005 71 1HG PRO 10 1HG PRO 10 2.005 -4.356 14.992 72 2HG PRO 10 2HG PRO 10 1.001 -4.480 16.463 73 1HD PRO 10 1HD PRO 10 0.338 -5.816 14.226 74 2HD PRO 10 2HD PRO 10 -0.942 -5.028 15.188 75 H PHE 11 H PHE 11 2.108 -3.683 12.802 76 HA PHE 11 HA PHE 11 3.531 -1.545 11.739 77 1HB PHE 11 1HB PHE 11 4.279 -3.924 12.002 78 2HB PHE 11 2HB PHE 11 3.312 -4.368 10.603 79 HD1 PHE 11 HD1 PHE 11 4.026 -3.708 8.318 80 HD2 PHE 11 HD2 PHE 11 6.354 -2.659 11.802 81 HE1 PHE 11 HE1 PHE 11 6.000 -3.280 6.882 82 HE2 PHE 11 HE2 PHE 11 8.319 -2.236 10.356 83 HZ PHE 11 HZ PHE 11 8.148 -2.547 7.895 84 H THR 12 H THR 12 1.103 -3.652 10.059 85 HA THR 12 HA THR 12 1.252 -2.330 7.600 86 HB THR 12 HB THR 12 -1.244 -3.739 8.410 87 HG1 THR 12 HG1 THR 12 0.344 -5.718 8.126 88 1HG2 THR 12 1HG2 THR 12 -0.746 -3.194 6.048 89 2HG2 THR 12 2HG2 THR 12 0.746 -4.156 6.140 90 3HG2 THR 12 3HG2 THR 12 -0.837 -4.947 6.298 91 H GLN 13 H GLN 13 -0.902 -1.917 10.430 92 HA GLN 13 HA GLN 13 -2.640 0.071 9.349 93 1HB GLN 13 1HB GLN 13 -1.629 -0.573 12.159 94 2HB GLN 13 2HB GLN 13 -2.715 0.762 11.820 95 1HG GLN 13 1HG GLN 13 -4.389 -0.771 10.880 96 2HG GLN 13 2HG GLN 13 -3.335 -2.155 11.192 97 1HE2 GLN 13 1HE2 GLN 13 -2.853 -2.666 13.480 98 2HE2 GLN 13 2HE2 GLN 13 -3.969 -2.132 14.729 99 H ASN 14 H ASN 14 0.506 0.410 11.117 100 HA ASN 14 HA ASN 14 0.616 3.202 11.048 101 1HB ASN 14 1HB ASN 14 2.249 1.874 12.247 102 2HB ASN 14 2HB ASN 14 2.912 1.219 10.752 103 1HD2 ASN 14 1HD2 ASN 14 4.358 2.458 9.491 104 2HD2 ASN 14 2HD2 ASN 14 4.910 4.039 10.022 105 H LEU 15 H LEU 15 1.762 0.921 8.510 106 HA LEU 15 HA LEU 15 2.587 2.978 6.672 107 1HB LEU 15 1HB LEU 15 1.621 0.137 6.153 108 2HB LEU 15 2HB LEU 15 2.337 1.194 4.933 109 HG LEU 15 HG LEU 15 3.749 0.224 7.464 110 1HD1 LEU 15 1HD1 LEU 15 3.364 -1.560 5.805 111 2HD1 LEU 15 2HD1 LEU 15 4.079 -0.546 4.531 112 3HD1 LEU 15 3HD1 LEU 15 5.081 -1.122 5.878 113 1HD2 LEU 15 1HD2 LEU 15 4.687 1.943 5.128 114 2HD2 LEU 15 2HD2 LEU 15 4.699 2.379 6.850 115 3HD2 LEU 15 3HD2 LEU 15 5.792 1.131 6.256 116 H GLY 16 H GLY 16 -0.515 1.222 6.980 117 1HA GLY 16 1HA GLY 16 -1.917 2.504 4.870 118 2HA GLY 16 2HA GLY 16 -2.635 1.811 6.335 119 H LYS 17 H LYS 17 -1.197 3.608 8.194 120 HA LYS 17 HA LYS 17 -3.257 5.588 8.222 121 1HB LYS 17 1HB LYS 17 -1.826 4.283 10.188 122 2HB LYS 17 2HB LYS 17 -0.946 5.796 10.137 123 1HG LYS 17 1HG LYS 17 -3.935 5.385 10.618 124 2HG LYS 17 2HG LYS 17 -2.712 5.918 11.790 125 1HD LYS 17 1HD LYS 17 -2.255 7.897 10.261 126 2HD LYS 17 2HD LYS 17 -3.678 7.416 9.316 127 1HE LYS 17 1HE LYS 17 -5.102 7.593 11.364 128 2HE LYS 17 2HE LYS 17 -3.696 8.195 12.265 129 1HZ LYS 17 1HZ LYS 17 -3.590 10.033 10.740 130 2HZ LYS 17 2HZ LYS 17 -4.893 9.468 9.901 131 3HZ LYS 17 3HZ LYS 17 -5.069 9.965 11.462 132 H PHE 18 H PHE 18 0.259 5.428 7.900 133 HA PHE 18 HA PHE 18 0.845 8.125 7.260 134 1HB PHE 18 1HB PHE 18 2.734 6.799 7.583 135 2HB PHE 18 2HB PHE 18 2.070 5.434 6.712 136 HD1 PHE 18 HD1 PHE 18 2.748 4.931 4.527 137 HD2 PHE 18 HD2 PHE 18 3.310 8.929 6.059 138 HE1 PHE 18 HE1 PHE 18 4.119 5.500 2.547 139 HE2 PHE 18 HE2 PHE 18 4.660 9.496 4.053 140 HZ PHE 18 HZ PHE 18 5.142 7.758 2.354 141 H ALA 19 H ALA 19 -0.193 5.469 5.101 142 HA ALA 19 HA ALA 19 -0.133 6.963 2.700 143 1HB ALA 19 1HB ALA 19 -0.444 4.502 2.867 144 2HB ALA 19 2HB ALA 19 -2.107 4.747 3.421 145 3HB ALA 19 3HB ALA 19 -1.641 5.270 1.803 146 H VAL 20 H VAL 20 -2.843 6.394 4.917 147 HA VAL 20 HA VAL 20 -4.698 8.132 3.592 148 HB VAL 20 HB VAL 20 -4.577 7.080 6.434 149 1HG1 VAL 20 1HG1 VAL 20 -5.930 9.074 6.579 150 2HG1 VAL 20 2HG1 VAL 20 -6.744 8.701 5.034 151 3HG1 VAL 20 3HG1 VAL 20 -7.061 7.726 6.468 152 1HG2 VAL 20 1HG2 VAL 20 -6.331 6.375 4.017 153 2HG2 VAL 20 2HG2 VAL 20 -4.958 5.405 4.573 154 3HG2 VAL 20 3HG2 VAL 20 -6.385 5.587 5.603 155 H ASP 21 H ASP 21 -2.270 8.758 6.139 156 HA ASP 21 HA ASP 21 -3.120 11.380 6.793 157 1HB ASP 21 1HB ASP 21 -1.652 10.152 8.263 158 2HB ASP 21 2HB ASP 21 -0.407 10.019 7.014 159 H GLU 22 H GLU 22 -0.671 10.165 4.496 160 HA GLU 22 HA GLU 22 0.178 12.640 3.417 161 1HB GLU 22 1HB GLU 22 1.267 10.370 3.014 162 2HB GLU 22 2HB GLU 22 -0.101 9.944 1.991 163 1HG GLU 22 1HG GLU 22 1.748 10.648 0.608 164 2HG GLU 22 2HG GLU 22 0.476 11.864 0.474 165 H GLU 23 H GLU 23 -2.413 10.374 2.431 166 HA GLU 23 HA GLU 23 -3.309 11.852 0.213 167 1HB GLU 23 1HB GLU 23 -3.834 9.482 0.711 168 2HB GLU 23 2HB GLU 23 -4.931 9.994 2.008 169 1HG GLU 23 1HG GLU 23 -6.390 11.107 0.437 170 2HG GLU 23 2HG GLU 23 -5.185 10.961 -0.862 171 H ASN 24 H ASN 24 -4.377 11.992 3.642 172 HA ASN 24 HA ASN 24 -6.427 13.966 3.322 173 1HB ASN 24 1HB ASN 24 -4.734 12.881 5.599 174 2HB ASN 24 2HB ASN 24 -5.600 14.377 5.808 175 1HD2 ASN 24 1HD2 ASN 24 -6.028 10.913 5.238 176 2HD2 ASN 24 2HD2 ASN 24 -7.672 10.886 5.913 177 H LYS 25 H LYS 25 -2.900 14.133 4.023 178 HA LYS 25 HA LYS 25 -2.758 16.907 4.524 179 1HB LYS 25 1HB LYS 25 -1.000 15.245 5.048 180 2HB LYS 25 2HB LYS 25 -0.658 15.054 3.322 181 1HG LYS 25 1HG LYS 25 -0.004 17.461 3.204 182 2HG LYS 25 2HG LYS 25 -0.305 17.600 4.951 183 1HD LYS 25 1HD LYS 25 1.388 15.814 5.368 184 2HD LYS 25 2HD LYS 25 1.666 15.673 3.620 185 1HE LYS 25 1HE LYS 25 2.423 18.045 3.548 186 2HE LYS 25 2HE LYS 25 2.166 18.177 5.300 187 1HZ LYS 25 1HZ LYS 25 3.799 16.460 5.602 188 2HZ LYS 25 2HZ LYS 25 4.034 16.338 3.975 189 3HZ LYS 25 3HZ LYS 25 4.439 17.727 4.765 190 H ILE 26 H ILE 26 -2.303 15.078 1.468 191 HA ILE 26 HA ILE 26 -2.053 17.438 -0.190 192 HB ILE 26 HB ILE 26 -2.824 14.570 -0.853 193 1HG1 ILE 26 1HG1 ILE 26 -0.173 16.049 -1.230 194 2HG1 ILE 26 2HG1 ILE 26 -0.507 14.994 0.141 195 1HG2 ILE 26 1HG2 ILE 26 -3.624 16.116 -2.627 196 2HG2 ILE 26 2HG2 ILE 26 -2.018 16.865 -2.703 197 3HG2 ILE 26 3HG2 ILE 26 -2.257 15.180 -3.207 198 1HD1 ILE 26 1HD1 ILE 26 -0.925 13.095 -1.431 199 2HD1 ILE 26 2HD1 ILE 26 -0.357 14.130 -2.764 200 3HD1 ILE 26 3HD1 ILE 26 0.733 13.724 -1.435 201 H GLY 27 H GLY 27 -4.791 15.405 0.872 202 1HA GLY 27 1HA GLY 27 -7.013 15.921 1.044 203 2HA GLY 27 2HA GLY 27 -6.755 17.493 0.268 204 H GLN 28 H GLN 28 -5.446 14.547 -1.154 205 HA GLN 28 HA GLN 28 -6.478 15.221 -3.677 206 1HB GLN 28 1HB GLN 28 -4.447 13.882 -3.357 207 2HB GLN 28 2HB GLN 28 -5.398 12.551 -2.687 208 1HG GLN 28 1HG GLN 28 -4.731 12.115 -4.997 209 2HG GLN 28 2HG GLN 28 -6.484 12.186 -4.872 210 1HE2 GLN 28 1HE2 GLN 28 -7.579 14.189 -5.665 211 2HE2 GLN 28 2HE2 GLN 28 -6.770 15.125 -6.920 212 H TYR 29 H TYR 29 -7.783 13.142 -1.182 213 HA TYR 29 HA TYR 29 -10.286 12.713 -2.793 214 1HB TYR 29 1HB TYR 29 -8.641 10.846 -1.130 215 2HB TYR 29 2HB TYR 29 -10.367 10.777 -0.882 216 HD1 TYR 29 HD1 TYR 29 -11.922 9.987 -2.548 217 HD2 TYR 29 HD2 TYR 29 -7.717 10.273 -3.439 218 HE1 TYR 29 HE1 TYR 29 -12.181 8.299 -4.342 219 HE2 TYR 29 HE2 TYR 29 -7.951 8.459 -5.114 220 HH TYR 29 HH TYR 29 -9.317 6.597 -5.565 221 H GLY 30 H GLY 30 -9.467 15.038 -1.203 222 1HA GLY 30 1HA GLY 30 -10.327 16.411 0.431 223 2HA GLY 30 2HA GLY 30 -11.748 15.351 0.535 224 H ARG 31 H ARG 31 -11.743 15.380 2.835 225 HA ARG 31 HA ARG 31 -9.399 14.329 4.282 226 1HB ARG 31 1HB ARG 31 -12.043 15.562 5.121 227 2HB ARG 31 2HB ARG 31 -11.012 14.684 6.263 228 1HG ARG 31 1HG ARG 31 -9.131 16.139 5.842 229 2HG ARG 31 2HG ARG 31 -10.018 17.031 4.589 230 1HD ARG 31 1HD ARG 31 -11.563 17.931 6.189 231 2HD ARG 31 2HD ARG 31 -10.998 16.823 7.464 232 HE ARG 31 HE ARG 31 -8.757 18.279 6.657 233 1HH1 ARG 31 1HH1 ARG 31 -11.885 18.971 8.135 234 2HH1 ARG 31 2HH1 ARG 31 -11.290 20.264 9.142 235 1HH2 ARG 31 1HH2 ARG 31 -7.947 19.935 7.988 236 2HH2 ARG 31 2HH2 ARG 31 -9.002 20.822 9.055 237 H LEU 32 H LEU 32 -9.327 12.284 5.118 238 HA LEU 32 HA LEU 32 -11.722 10.507 4.846 239 1HB LEU 32 1HB LEU 32 -8.854 9.802 4.203 240 2HB LEU 32 2HB LEU 32 -10.195 8.662 4.235 241 HG LEU 32 HG LEU 32 -10.011 11.018 2.293 242 1HD1 LEU 32 1HD1 LEU 32 -8.216 9.408 1.930 243 2HD1 LEU 32 2HD1 LEU 32 -9.370 8.061 1.983 244 3HD1 LEU 32 3HD1 LEU 32 -9.427 9.227 0.648 245 1HD2 LEU 32 1HD2 LEU 32 -11.870 8.589 2.420 246 2HD2 LEU 32 2HD2 LEU 32 -12.346 10.285 2.664 247 3HD2 LEU 32 3HD2 LEU 32 -11.786 9.748 1.079 248 H THR 33 H THR 33 -12.091 9.292 6.580 249 HA THR 33 HA THR 33 -10.316 9.600 8.964 250 HB THR 33 HB THR 33 -13.249 8.796 8.788 251 HG1 THR 33 HG1 THR 33 -12.679 11.015 8.226 252 1HG2 THR 33 1HG2 THR 33 -12.125 7.917 10.823 253 2HG2 THR 33 2HG2 THR 33 -11.484 9.540 11.167 254 3HG2 THR 33 3HG2 THR 33 -13.231 9.243 11.220 255 H PHE 34 H PHE 34 -8.838 7.963 8.625 256 HA PHE 34 HA PHE 34 -9.219 5.375 7.627 257 1HB PHE 34 1HB PHE 34 -7.055 6.149 8.029 258 2HB PHE 34 2HB PHE 34 -7.363 6.507 9.733 259 HD1 PHE 34 HD1 PHE 34 -6.428 3.925 7.273 260 HD2 PHE 34 HD2 PHE 34 -7.388 4.674 11.415 261 HE1 PHE 34 HE1 PHE 34 -5.057 1.978 7.947 262 HE2 PHE 34 HE2 PHE 34 -6.049 2.699 12.074 263 HZ PHE 34 HZ PHE 34 -4.815 1.403 10.356 264 H ASN 35 H ASN 35 -10.102 3.579 8.334 265 HA ASN 35 HA ASN 35 -11.152 3.373 11.146 266 1HB ASN 35 1HB ASN 35 -11.863 1.766 8.655 267 2HB ASN 35 2HB ASN 35 -12.371 1.373 10.288 268 1HD2 ASN 35 1HD2 ASN 35 -13.594 3.194 11.489 269 2HD2 ASN 35 2HD2 ASN 35 -14.719 4.112 10.506 270 H LYS 36 H LYS 36 -9.696 1.280 8.571 271 HA LYS 36 HA LYS 36 -7.454 0.516 10.100 272 1HB LYS 36 1HB LYS 36 -9.891 -0.839 10.893 273 2HB LYS 36 2HB LYS 36 -8.890 -2.013 10.039 274 1HG LYS 36 1HG LYS 36 -7.000 -1.570 11.477 275 2HG LYS 36 2HG LYS 36 -7.832 -0.194 12.232 276 1HD LYS 36 1HD LYS 36 -9.565 -1.710 13.137 277 2HD LYS 36 2HD LYS 36 -8.723 -3.109 12.433 278 1HE LYS 36 1HE LYS 36 -6.734 -2.630 13.822 279 2HE LYS 36 2HE LYS 36 -7.502 -1.163 14.457 280 1HZ LYS 36 1HZ LYS 36 -9.184 -2.535 15.438 281 2HZ LYS 36 2HZ LYS 36 -8.475 -3.903 14.854 282 3HZ LYS 36 3HZ LYS 36 -7.691 -2.977 15.969 283 H VAL 37 H VAL 37 -6.378 -1.471 9.093 284 HA VAL 37 HA VAL 37 -6.947 -1.615 6.183 285 HB VAL 37 HB VAL 37 -4.753 -0.790 6.777 286 1HG1 VAL 37 1HG1 VAL 37 -4.378 -1.918 8.939 287 2HG1 VAL 37 2HG1 VAL 37 -4.234 -3.479 8.118 288 3HG1 VAL 37 3HG1 VAL 37 -3.047 -2.198 7.817 289 1HG2 VAL 37 1HG2 VAL 37 -4.699 -3.571 5.532 290 2HG2 VAL 37 2HG2 VAL 37 -4.967 -2.025 4.699 291 3HG2 VAL 37 3HG2 VAL 37 -3.398 -2.384 5.449 292 H ILE 38 H ILE 38 -7.249 -3.621 5.224 293 HA ILE 38 HA ILE 38 -7.218 -6.011 6.939 294 HB ILE 38 HB ILE 38 -9.485 -6.717 6.320 295 1HG1 ILE 38 1HG1 ILE 38 -11.172 -4.971 5.731 296 2HG1 ILE 38 2HG1 ILE 38 -9.867 -3.868 5.278 297 1HG2 ILE 38 1HG2 ILE 38 -8.966 -5.674 8.507 298 2HG2 ILE 38 2HG2 ILE 38 -9.517 -4.109 7.860 299 3HG2 ILE 38 3HG2 ILE 38 -10.644 -5.469 7.989 300 1HD1 ILE 38 1HD1 ILE 38 -10.208 -6.648 4.055 301 2HD1 ILE 38 2HD1 ILE 38 -11.022 -5.220 3.411 302 3HD1 ILE 38 3HD1 ILE 38 -9.253 -5.276 3.424 303 H ARG 39 H ARG 39 -8.000 -7.944 5.457 304 HA ARG 39 HA ARG 39 -5.805 -8.227 3.766 305 1HB ARG 39 1HB ARG 39 -6.840 -10.438 3.177 306 2HB ARG 39 2HB ARG 39 -6.740 -10.115 4.910 307 1HG ARG 39 1HG ARG 39 -9.135 -9.615 5.015 308 2HG ARG 39 2HG ARG 39 -9.265 -9.636 3.251 309 1HD ARG 39 1HD ARG 39 -10.141 -11.691 4.188 310 2HD ARG 39 2HD ARG 39 -8.703 -12.022 3.199 311 HE ARG 39 HE ARG 39 -7.903 -11.665 5.909 312 1HH1 ARG 39 1HH1 ARG 39 -9.710 -13.945 3.913 313 2HH1 ARG 39 2HH1 ARG 39 -9.339 -15.333 4.898 314 1HH2 ARG 39 1HH2 ARG 39 -7.393 -13.472 7.212 315 2HH2 ARG 39 2HH2 ARG 39 -7.999 -15.055 6.810 316 HA PRO 40 HA PRO 40 -5.074 -9.493 2.054 317 1HB PRO 40 1HB PRO 40 -3.947 -9.440 -0.366 318 2HB PRO 40 2HB PRO 40 -5.465 -10.347 -0.107 319 1HG PRO 40 1HG PRO 40 -5.134 -7.582 -1.293 320 2HG PRO 40 2HG PRO 40 -6.127 -8.932 -1.911 321 1HD PRO 40 1HD PRO 40 -7.009 -6.841 -0.275 322 2HD PRO 40 2HD PRO 40 -7.858 -8.418 -0.401 323 H CYS 41 H CYS 41 -2.734 -8.875 1.892 324 HA CYS 41 HA CYS 41 -2.197 -6.034 1.284 325 1HB CYS 41 1HB CYS 41 -2.306 -6.093 3.741 326 2HB CYS 41 2HB CYS 41 -1.134 -7.439 3.756 327 HG CYS 41 HG CYS 41 0.236 -5.395 4.290 328 H MET 42 H MET 42 -1.189 -6.398 -0.541 329 HA MET 42 HA MET 42 0.535 -8.760 -1.007 330 1HB MET 42 1HB MET 42 -0.474 -8.614 -2.994 331 2HB MET 42 2HB MET 42 -1.269 -7.128 -2.559 332 1HG MET 42 1HG MET 42 0.570 -5.812 -3.295 333 2HG MET 42 2HG MET 42 1.544 -7.166 -3.753 334 1HE MET 42 1HE MET 42 2.024 -6.414 -6.165 335 2HE MET 42 2HE MET 42 0.767 -5.777 -7.250 336 3HE MET 42 3HE MET 42 1.182 -4.898 -5.762 337 H LYS 43 H LYS 43 2.764 -8.658 -0.719 338 HA LYS 43 HA LYS 43 3.932 -5.895 -1.059 339 1HB LYS 43 1HB LYS 43 4.356 -6.704 1.199 340 2HB LYS 43 2HB LYS 43 4.936 -8.258 0.560 341 1HG LYS 43 1HG LYS 43 6.843 -7.133 -0.562 342 2HG LYS 43 2HG LYS 43 6.207 -5.560 -0.076 343 1HD LYS 43 1HD LYS 43 7.975 -6.080 1.439 344 2HD LYS 43 2HD LYS 43 6.480 -6.349 2.356 345 1HE LYS 43 1HE LYS 43 6.666 -8.803 1.916 346 2HE LYS 43 2HE LYS 43 8.129 -8.523 0.962 347 1HZ LYS 43 1HZ LYS 43 9.168 -7.662 2.932 348 2HZ LYS 43 2HZ LYS 43 7.798 -7.916 3.816 349 3HZ LYS 43 3HZ LYS 43 8.621 -9.196 3.184 350 H LYS 44 H LYS 44 4.766 -5.731 -3.058 351 HA LYS 44 HA LYS 44 6.231 -8.067 -4.204 352 1HB LYS 44 1HB LYS 44 4.163 -7.488 -5.473 353 2HB LYS 44 2HB LYS 44 4.818 -5.879 -5.772 354 1HG LYS 44 1HG LYS 44 6.330 -6.631 -7.320 355 2HG LYS 44 2HG LYS 44 6.651 -8.143 -6.468 356 1HD LYS 44 1HD LYS 44 4.357 -8.962 -7.223 357 2HD LYS 44 2HD LYS 44 4.317 -7.559 -8.308 358 1HE LYS 44 1HE LYS 44 6.402 -9.805 -8.234 359 2HE LYS 44 2HE LYS 44 5.167 -9.562 -9.475 360 1HZ LYS 44 1HZ LYS 44 6.237 -7.498 -10.046 361 2HZ LYS 44 2HZ LYS 44 7.390 -7.727 -8.891 362 3HZ LYS 44 3HZ LYS 44 7.292 -8.757 -10.171 363 H THR 45 H THR 45 8.256 -7.762 -4.986 364 HA THR 45 HA THR 45 9.639 -5.302 -4.246 365 HB THR 45 HB THR 45 10.479 -7.884 -4.410 366 HG1 THR 45 HG1 THR 45 11.946 -5.477 -4.705 367 1HG2 THR 45 1HG2 THR 45 10.417 -7.986 -6.897 368 2HG2 THR 45 2HG2 THR 45 11.539 -6.603 -6.981 369 3HG2 THR 45 3HG2 THR 45 12.067 -8.115 -6.261 370 H ILE 46 H ILE 46 10.372 -3.726 -5.722 371 HA ILE 46 HA ILE 46 9.243 -3.886 -8.463 372 HB ILE 46 HB ILE 46 8.568 -2.022 -6.496 373 1HG1 ILE 46 1HG1 ILE 46 7.256 -1.003 -8.336 374 2HG1 ILE 46 2HG1 ILE 46 8.103 -2.020 -9.503 375 1HG2 ILE 46 1HG2 ILE 46 10.587 -0.680 -6.976 376 2HG2 ILE 46 2HG2 ILE 46 10.154 -0.641 -8.701 377 3HG2 ILE 46 3HG2 ILE 46 9.120 0.141 -7.495 378 1HD1 ILE 46 1HD1 ILE 46 7.095 -4.041 -8.526 379 2HD1 ILE 46 2HD1 ILE 46 6.488 -3.112 -7.147 380 3HD1 ILE 46 3HD1 ILE 46 5.823 -2.849 -8.773 381 H TYR 47 H TYR 47 10.606 -3.997 -10.020 382 HA TYR 47 HA TYR 47 13.232 -2.746 -9.916 383 1HB TYR 47 1HB TYR 47 14.475 -4.704 -10.019 384 2HB TYR 47 2HB TYR 47 13.318 -5.027 -8.714 385 HD1 TYR 47 HD1 TYR 47 14.991 -6.526 -11.293 386 HD2 TYR 47 HD2 TYR 47 11.074 -6.287 -9.506 387 HE1 TYR 47 HE1 TYR 47 14.457 -8.759 -12.156 388 HE2 TYR 47 HE2 TYR 47 10.521 -8.499 -10.429 389 HH TYR 47 HH TYR 47 12.587 -9.962 -12.971 390 H GLU 48 H GLU 48 14.335 -3.621 -12.075 391 HA GLU 48 HA GLU 48 12.239 -3.329 -14.241 392 1HB GLU 48 1HB GLU 48 14.352 -1.844 -14.051 393 2HB GLU 48 2HB GLU 48 15.191 -3.203 -14.758 394 1HG GLU 48 1HG GLU 48 12.772 -1.694 -15.892 395 2HG GLU 48 2HG GLU 48 14.446 -1.488 -16.406 396 H ASN 49 H ASN 49 14.582 -4.909 -15.730 397 HA ASN 49 HA ASN 49 14.530 -7.427 -14.372 398 1HB ASN 49 1HB ASN 49 12.234 -7.322 -15.675 399 2HB ASN 49 2HB ASN 49 13.220 -7.553 -17.118 400 1HD2 ASN 49 1HD2 ASN 49 12.599 -9.678 -17.654 401 2HD2 ASN 49 2HD2 ASN 49 12.782 -11.032 -16.554 402 H GLU 50 H GLU 50 15.235 -5.743 -17.390 403 HA GLU 50 HA GLU 50 16.675 -7.120 -18.986 404 1HB GLU 50 1HB GLU 50 16.486 -4.626 -18.967 405 2HB GLU 50 2HB GLU 50 17.808 -4.561 -17.795 406 1HG GLU 50 1HG GLU 50 18.686 -4.069 -19.964 407 2HG GLU 50 2HG GLU 50 19.310 -5.651 -19.500 408 H GLY 51 H GLY 51 17.721 -8.998 -18.437 409 1HA GLY 51 1HA GLY 51 19.439 -10.369 -17.796 410 2HA GLY 51 2HA GLY 51 20.465 -8.940 -17.989 411 H PHE 52 H PHE 52 17.876 -9.406 -15.631 412 HA PHE 52 HA PHE 52 17.801 -9.756 -13.402 413 1HB PHE 52 1HB PHE 52 19.698 -11.399 -13.799 414 2HB PHE 52 2HB PHE 52 20.808 -10.138 -13.276 415 HD1 PHE 52 HD1 PHE 52 18.014 -12.360 -12.213 416 HD2 PHE 52 HD2 PHE 52 21.013 -9.537 -10.926 417 HE1 PHE 52 HE1 PHE 52 17.671 -13.060 -9.860 418 HE2 PHE 52 HE2 PHE 52 20.662 -10.239 -8.577 419 HZ PHE 52 HZ PHE 52 18.998 -12.008 -8.038 420 H ARG 53 H ARG 53 17.408 -7.420 -14.194 421 HA ARG 53 HA ARG 53 19.150 -5.337 -13.370 422 1HB ARG 53 1HB ARG 53 16.314 -5.565 -14.065 423 2HB ARG 53 2HB ARG 53 16.693 -4.187 -13.047 424 1HG ARG 53 1HG ARG 53 18.495 -4.732 -15.418 425 2HG ARG 53 2HG ARG 53 16.924 -4.009 -15.720 426 1HD ARG 53 1HD ARG 53 17.409 -2.204 -14.098 427 2HD ARG 53 2HD ARG 53 19.007 -2.919 -13.774 428 HE ARG 53 HE ARG 53 18.906 -2.557 -16.524 429 1HH1 ARG 53 1HH1 ARG 53 18.713 -0.521 -13.644 430 2HH1 ARG 53 2HH1 ARG 53 19.402 0.884 -14.408 431 1HH2 ARG 53 1HH2 ARG 53 19.825 -0.730 -17.541 432 2HH2 ARG 53 2HH2 ARG 53 20.052 0.758 -16.664 433 H GLU 54 H GLU 54 19.234 -3.974 -11.629 434 HA GLU 54 HA GLU 54 19.094 -5.202 -9.086 435 1HB GLU 54 1HB GLU 54 19.454 -2.279 -9.882 436 2HB GLU 54 2HB GLU 54 19.730 -2.933 -8.264 437 1HG GLU 54 1HG GLU 54 21.499 -4.430 -9.148 438 2HG GLU 54 2HG GLU 54 21.261 -3.775 -10.774 439 H ILE 55 H ILE 55 17.715 -4.708 -7.319 440 HA ILE 55 HA ILE 55 14.996 -3.989 -7.989 441 HB ILE 55 HB ILE 55 16.412 -4.545 -5.351 442 1HG1 ILE 55 1HG1 ILE 55 14.341 -6.213 -6.863 443 2HG1 ILE 55 2HG1 ILE 55 16.081 -6.444 -7.039 444 1HG2 ILE 55 1HG2 ILE 55 14.489 -3.041 -4.923 445 2HG2 ILE 55 2HG2 ILE 55 13.432 -4.129 -5.848 446 3HG2 ILE 55 3HG2 ILE 55 14.154 -4.649 -4.313 447 1HD1 ILE 55 1HD1 ILE 55 16.277 -6.913 -4.609 448 2HD1 ILE 55 2HD1 ILE 55 14.505 -6.833 -4.469 449 3HD1 ILE 55 3HD1 ILE 55 15.255 -8.067 -5.485 450 H LYS 56 H LYS 56 14.023 -2.070 -7.890 451 HA LYS 56 HA LYS 56 15.717 0.283 -7.231 452 1HB LYS 56 1HB LYS 56 14.579 0.090 -9.423 453 2HB LYS 56 2HB LYS 56 13.004 0.128 -8.626 454 1HG LYS 56 1HG LYS 56 14.997 2.339 -8.048 455 2HG LYS 56 2HG LYS 56 14.227 2.293 -9.638 456 1HD LYS 56 1HD LYS 56 12.006 2.450 -8.692 457 2HD LYS 56 2HD LYS 56 12.619 2.268 -7.045 458 1HE LYS 56 1HE LYS 56 12.094 4.615 -7.528 459 2HE LYS 56 2HE LYS 56 13.818 4.398 -7.182 460 1HZ LYS 56 1HZ LYS 56 14.243 4.471 -9.524 461 2HZ LYS 56 2HZ LYS 56 12.636 4.621 -9.866 462 3HZ LYS 56 3HZ LYS 56 13.426 5.823 -9.060 463 H GLY 57 H GLY 57 12.762 -1.495 -6.272 464 1HA GLY 57 1HA GLY 57 12.660 -0.271 -3.654 465 2HA GLY 57 2HA GLY 57 11.528 0.457 -4.826 466 H TYR 58 H TYR 58 9.764 -0.331 -3.549 467 HA TYR 58 HA TYR 58 8.944 -3.076 -4.159 468 1HB TYR 58 1HB TYR 58 8.723 -1.980 -1.352 469 2HB TYR 58 2HB TYR 58 8.412 -3.603 -1.907 470 HD1 TYR 58 HD1 TYR 58 11.125 -1.137 -1.172 471 HD2 TYR 58 HD2 TYR 58 10.203 -5.267 -2.005 472 HE1 TYR 58 HE1 TYR 58 13.469 -1.740 -0.761 473 HE2 TYR 58 HE2 TYR 58 12.580 -5.851 -1.684 474 HH TYR 58 HH TYR 58 14.704 -5.059 -1.233 475 H GLU 59 H GLU 59 6.655 -3.297 -3.717 476 HA GLU 59 HA GLU 59 5.066 -0.825 -3.419 477 1HB GLU 59 1HB GLU 59 4.682 -2.963 -5.548 478 2HB GLU 59 2HB GLU 59 3.391 -1.884 -4.996 479 1HG GLU 59 1HG GLU 59 4.727 0.096 -5.586 480 2HG GLU 59 2HG GLU 59 6.024 -0.936 -6.197 481 H TYR 60 H TYR 60 3.251 -1.106 -2.221 482 HA TYR 60 HA TYR 60 2.772 -3.745 -0.960 483 1HB TYR 60 1HB TYR 60 2.644 -1.064 0.388 484 2HB TYR 60 2HB TYR 60 2.351 -2.635 1.115 485 HD1 TYR 60 HD1 TYR 60 4.175 -3.970 1.967 486 HD2 TYR 60 HD2 TYR 60 4.989 -0.418 -0.342 487 HE1 TYR 60 HE1 TYR 60 6.541 -4.003 2.723 488 HE2 TYR 60 HE2 TYR 60 7.364 -0.557 0.282 489 HH TYR 60 HH TYR 60 9.002 -1.691 1.582 490 H GLN 61 H GLN 61 0.813 -4.250 -1.893 491 HA GLN 61 HA GLN 61 -1.108 -1.982 -2.489 492 1HB GLN 61 1HB GLN 61 -0.090 -3.538 -4.320 493 2HB GLN 61 2HB GLN 61 -1.311 -4.699 -3.747 494 1HG GLN 61 1HG GLN 61 -3.079 -3.129 -4.255 495 2HG GLN 61 2HG GLN 61 -1.925 -1.867 -4.677 496 1HE2 GLN 61 1HE2 GLN 61 -0.714 -2.007 -6.682 497 2HE2 GLN 61 2HE2 GLN 61 -1.194 -3.161 -7.914 498 H LEU 62 H LEU 62 -2.815 -1.819 -1.015 499 HA LEU 62 HA LEU 62 -3.758 -4.308 0.278 500 1HB LEU 62 1HB LEU 62 -3.249 -3.330 2.537 501 2HB LEU 62 2HB LEU 62 -1.881 -3.814 1.546 502 HG LEU 62 HG LEU 62 -1.774 -1.234 0.875 503 1HD1 LEU 62 1HD1 LEU 62 -3.803 -0.628 2.286 504 2HD1 LEU 62 2HD1 LEU 62 -2.857 -1.110 3.709 505 3HD1 LEU 62 3HD1 LEU 62 -2.309 0.234 2.706 506 1HD2 LEU 62 1HD2 LEU 62 -0.762 -2.442 3.470 507 2HD2 LEU 62 2HD2 LEU 62 0.024 -2.525 1.877 508 3HD2 LEU 62 3HD2 LEU 62 -0.132 -0.973 2.708 509 H TYR 63 H TYR 63 -5.759 -4.185 1.327 510 HA TYR 63 HA TYR 63 -7.382 -1.926 0.382 511 1HB TYR 63 1HB TYR 63 -7.902 -4.730 1.346 512 2HB TYR 63 2HB TYR 63 -9.143 -3.525 1.572 513 HD1 TYR 63 HD1 TYR 63 -9.182 -1.885 -0.841 514 HD2 TYR 63 HD2 TYR 63 -9.079 -6.119 -0.262 515 HE1 TYR 63 HE1 TYR 63 -9.787 -2.216 -3.206 516 HE2 TYR 63 HE2 TYR 63 -9.601 -6.472 -2.659 517 HH TYR 63 HH TYR 63 -9.951 -5.447 -4.709 518 H VAL 64 H VAL 64 -7.588 -0.210 1.584 519 HA VAL 64 HA VAL 64 -7.547 -0.480 4.538 520 HB VAL 64 HB VAL 64 -5.675 0.795 3.650 521 1HG1 VAL 64 1HG1 VAL 64 -6.706 1.799 1.641 522 2HG1 VAL 64 2HG1 VAL 64 -7.741 2.812 2.677 523 3HG1 VAL 64 3HG1 VAL 64 -5.973 3.004 2.712 524 1HG2 VAL 64 1HG2 VAL 64 -7.657 2.503 5.217 525 2HG2 VAL 64 2HG2 VAL 64 -6.598 1.250 5.903 526 3HG2 VAL 64 3HG2 VAL 64 -5.893 2.694 5.157 527 H TYR 65 H TYR 65 -9.177 0.310 5.694 528 HA TYR 65 HA TYR 65 -11.661 1.015 4.261 529 1HB TYR 65 1HB TYR 65 -11.376 -1.095 5.742 530 2HB TYR 65 2HB TYR 65 -11.355 0.002 7.108 531 HD1 TYR 65 HD1 TYR 65 -13.371 -0.468 3.949 532 HD2 TYR 65 HD2 TYR 65 -13.447 -0.108 8.238 533 HE1 TYR 65 HE1 TYR 65 -15.766 -1.062 3.949 534 HE2 TYR 65 HE2 TYR 65 -15.847 -0.697 8.235 535 HH TYR 65 HH TYR 65 -17.763 -0.905 6.804 536 H ALA 66 H ALA 66 -12.301 3.103 4.452 537 HA ALA 66 HA ALA 66 -11.524 4.699 6.829 538 1HB ALA 66 1HB ALA 66 -9.768 5.127 5.129 539 2HB ALA 66 2HB ALA 66 -11.023 5.549 3.942 540 3HB ALA 66 3HB ALA 66 -10.793 6.554 5.391 541 H SER 67 H SER 67 -13.178 5.929 7.479 542 HA SER 67 HA SER 67 -15.366 6.464 7.751 543 1HB SER 67 1HB SER 67 -14.384 8.195 6.050 544 2HB SER 67 2HB SER 67 -15.416 7.385 4.862 545 HG SER 67 HG SER 67 -16.265 8.539 7.337 546 H ASP 68 H ASP 68 -15.035 3.788 7.202 547 HA ASP 68 HA ASP 68 -16.129 1.916 6.727 548 1HB ASP 68 1HB ASP 68 -17.969 3.215 7.874 549 2HB ASP 68 2HB ASP 68 -18.623 3.595 6.274 550 H LYS 69 H LYS 69 -14.973 3.601 4.402 551 HA LYS 69 HA LYS 69 -16.307 2.139 2.152 552 1HB LYS 69 1HB LYS 69 -14.570 4.636 2.139 553 2HB LYS 69 2HB LYS 69 -15.274 3.858 0.719 554 1HG LYS 69 1HG LYS 69 -16.881 5.126 2.989 555 2HG LYS 69 2HG LYS 69 -16.438 5.931 1.483 556 1HD LYS 69 1HD LYS 69 -17.658 4.164 0.192 557 2HD LYS 69 2HD LYS 69 -18.189 3.442 1.730 558 1HE LYS 69 1HE LYS 69 -19.332 5.531 2.353 559 2HE LYS 69 2HE LYS 69 -18.754 6.322 0.874 560 1HZ LYS 69 1HZ LYS 69 -19.999 4.743 -0.397 561 2HZ LYS 69 2HZ LYS 69 -20.541 3.998 0.970 562 3HZ LYS 69 3HZ LYS 69 -20.984 5.552 0.646 563 H LEU 70 H LEU 70 -14.996 0.703 1.044 564 HA LEU 70 HA LEU 70 -12.263 0.300 2.094 565 1HB LEU 70 1HB LEU 70 -14.047 -1.585 1.845 566 2HB LEU 70 2HB LEU 70 -13.732 -1.449 0.119 567 HG LEU 70 HG LEU 70 -11.247 -1.837 0.675 568 1HD1 LEU 70 1HD1 LEU 70 -11.309 -1.365 3.113 569 2HD1 LEU 70 2HD1 LEU 70 -12.487 -2.678 3.344 570 3HD1 LEU 70 3HD1 LEU 70 -10.833 -3.027 2.841 571 1HD2 LEU 70 1HD2 LEU 70 -13.277 -4.027 1.304 572 2HD2 LEU 70 2HD2 LEU 70 -12.681 -3.582 -0.309 573 3HD2 LEU 70 3HD2 LEU 70 -11.573 -4.290 0.876 574 H PHE 71 H PHE 71 -10.525 0.950 1.003 575 HA PHE 71 HA PHE 71 -10.692 1.496 -1.926 576 1HB PHE 71 1HB PHE 71 -9.609 3.240 0.309 577 2HB PHE 71 2HB PHE 71 -9.020 3.375 -1.337 578 HD1 PHE 71 HD1 PHE 71 -10.259 4.415 -3.086 579 HD2 PHE 71 HD2 PHE 71 -11.980 3.941 0.839 580 HE1 PHE 71 HE1 PHE 71 -11.968 6.094 -3.642 581 HE2 PHE 71 HE2 PHE 71 -13.602 5.756 0.324 582 HZ PHE 71 HZ PHE 71 -13.611 6.825 -1.914 583 H ARG 72 H ARG 72 -8.829 0.995 -3.018 584 HA ARG 72 HA ARG 72 -6.919 -0.789 -1.649 585 1HB ARG 72 1HB ARG 72 -8.105 -1.063 -4.053 586 2HB ARG 72 2HB ARG 72 -6.723 -0.105 -4.573 587 1HG ARG 72 1HG ARG 72 -5.178 -1.720 -3.537 588 2HG ARG 72 2HG ARG 72 -6.557 -2.669 -2.935 589 1HD ARG 72 1HD ARG 72 -7.351 -3.017 -5.249 590 2HD ARG 72 2HD ARG 72 -5.929 -2.130 -5.872 591 HE ARG 72 HE ARG 72 -4.801 -3.974 -4.265 592 1HH1 ARG 72 1HH1 ARG 72 -6.845 -4.087 -7.113 593 2HH1 ARG 72 2HH1 ARG 72 -6.455 -5.735 -7.536 594 1HH2 ARG 72 1HH2 ARG 72 -4.355 -6.200 -4.714 595 2HH2 ARG 72 2HH2 ARG 72 -5.008 -6.959 -6.139 596 H ALA 73 H ALA 73 -5.198 0.220 -0.715 597 HA ALA 73 HA ALA 73 -4.200 2.811 -1.823 598 1HB ALA 73 1HB ALA 73 -4.683 2.828 0.585 599 2HB ALA 73 2HB ALA 73 -3.629 1.417 0.819 600 3HB ALA 73 3HB ALA 73 -2.946 2.964 0.269 601 H ASP 74 H ASP 74 -2.434 2.636 -3.111 602 HA ASP 74 HA ASP 74 -0.671 0.220 -2.805 603 1HB ASP 74 1HB ASP 74 -1.753 0.524 -4.999 604 2HB ASP 74 2HB ASP 74 -0.834 2.021 -5.237 605 H ILE 75 H ILE 75 0.906 0.689 -1.564 606 HA ILE 75 HA ILE 75 2.066 3.462 -1.447 607 HB ILE 75 HB ILE 75 2.212 1.199 0.594 608 1HG1 ILE 75 1HG1 ILE 75 1.213 3.246 1.981 609 2HG1 ILE 75 2HG1 ILE 75 0.601 3.753 0.405 610 1HG2 ILE 75 1HG2 ILE 75 4.332 2.393 0.587 611 2HG2 ILE 75 2HG2 ILE 75 3.488 3.958 0.610 612 3HG2 ILE 75 3HG2 ILE 75 3.415 2.862 2.004 613 1HD1 ILE 75 1HD1 ILE 75 -0.586 1.531 0.230 614 2HD1 ILE 75 2HD1 ILE 75 0.132 1.071 1.785 615 3HD1 ILE 75 3HD1 ILE 75 -1.030 2.402 1.704 616 H SER 76 H SER 76 4.379 3.592 -1.639 617 HA SER 76 HA SER 76 5.707 1.156 -2.717 618 1HB SER 76 1HB SER 76 6.856 2.625 -4.357 619 2HB SER 76 2HB SER 76 5.114 2.519 -4.628 620 HG SER 76 HG SER 76 5.078 4.538 -3.225 621 H GLU 77 H GLU 77 7.943 1.126 -2.405 622 HA GLU 77 HA GLU 77 9.136 3.147 -0.573 623 1HB GLU 77 1HB GLU 77 8.770 1.140 0.744 624 2HB GLU 77 2HB GLU 77 9.502 0.147 -0.517 625 1HG GLU 77 1HG GLU 77 11.692 1.321 -0.147 626 2HG GLU 77 2HG GLU 77 10.933 2.321 1.098 627 H ASP 78 H ASP 78 11.039 3.942 -1.398 628 HA ASP 78 HA ASP 78 12.138 2.654 -3.848 629 1HB ASP 78 1HB ASP 78 12.851 4.669 -4.517 630 2HB ASP 78 2HB ASP 78 11.364 5.156 -3.703 631 H TYR 79 H TYR 79 13.989 1.440 -3.515 632 HA TYR 79 HA TYR 79 14.864 1.087 -0.799 633 1HB TYR 79 1HB TYR 79 14.832 -0.710 -2.525 634 2HB TYR 79 2HB TYR 79 16.115 0.120 -3.399 635 HD1 TYR 79 HD1 TYR 79 18.243 -0.847 -3.107 636 HD2 TYR 79 HD2 TYR 79 15.444 -0.968 0.178 637 HE1 TYR 79 HE1 TYR 79 19.880 -2.101 -1.748 638 HE2 TYR 79 HE2 TYR 79 17.079 -2.242 1.519 639 HH TYR 79 HH TYR 79 20.307 -3.127 0.274 640 H LYS 80 H LYS 80 16.021 2.968 -3.523 641 HA LYS 80 HA LYS 80 18.690 3.303 -2.781 642 1HB LYS 80 1HB LYS 80 17.524 3.790 -4.983 643 2HB LYS 80 2HB LYS 80 16.979 5.328 -4.295 644 1HG LYS 80 1HG LYS 80 19.337 6.031 -4.001 645 2HG LYS 80 2HG LYS 80 19.889 4.432 -4.545 646 1HD LYS 80 1HD LYS 80 18.730 4.805 -6.740 647 2HD LYS 80 2HD LYS 80 18.305 6.445 -6.209 648 1HE LYS 80 1HE LYS 80 20.714 7.006 -6.012 649 2HE LYS 80 2HE LYS 80 21.149 5.347 -6.468 650 1HZ LYS 80 1HZ LYS 80 20.094 5.708 -8.574 651 2HZ LYS 80 2HZ LYS 80 19.700 7.255 -8.163 652 3HZ LYS 80 3HZ LYS 80 21.281 6.821 -8.319 653 H THR 81 H THR 81 15.880 5.386 -2.058 654 HA THR 81 HA THR 81 17.496 6.998 -0.153 655 HB THR 81 HB THR 81 14.540 7.354 -0.634 656 HG1 THR 81 HG1 THR 81 15.403 7.331 -2.676 657 1HG2 THR 81 1HG2 THR 81 15.589 8.715 1.133 658 2HG2 THR 81 2HG2 THR 81 16.796 9.304 -0.033 659 3HG2 THR 81 3HG2 THR 81 15.082 9.713 -0.242 660 H ARG 82 H ARG 82 15.260 4.298 -0.232 661 HA ARG 82 HA ARG 82 14.339 2.999 1.307 662 1HB ARG 82 1HB ARG 82 16.752 3.404 2.398 663 2HB ARG 82 2HB ARG 82 15.798 4.259 3.619 664 1HG ARG 82 1HG ARG 82 14.320 2.095 3.645 665 2HG ARG 82 2HG ARG 82 15.645 1.364 2.710 666 1HD ARG 82 1HD ARG 82 17.213 2.169 4.592 667 2HD ARG 82 2HD ARG 82 15.737 2.583 5.498 668 HE ARG 82 HE ARG 82 15.744 -0.147 4.505 669 1HH1 ARG 82 1HH1 ARG 82 16.912 1.918 7.121 670 2HH1 ARG 82 2HH1 ARG 82 17.174 0.607 8.239 671 1HH2 ARG 82 1HH2 ARG 82 16.136 -1.881 5.930 672 2HH2 ARG 82 2HH2 ARG 82 16.732 -1.596 7.542 673 H GLY 83 H GLY 83 13.112 5.385 0.479 674 1HA GLY 83 1HA GLY 83 11.561 6.304 2.882 675 2HA GLY 83 2HA GLY 83 11.863 7.274 1.429 676 H ARG 84 H ARG 84 9.214 6.480 2.485 677 HA ARG 84 HA ARG 84 8.282 4.902 0.159 678 1HB ARG 84 1HB ARG 84 6.904 5.237 2.808 679 2HB ARG 84 2HB ARG 84 6.388 4.189 1.505 680 1HG ARG 84 1HG ARG 84 8.787 3.093 1.832 681 2HG ARG 84 2HG ARG 84 8.651 3.751 3.461 682 1HD ARG 84 1HD ARG 84 6.529 2.497 3.793 683 2HD ARG 84 2HD ARG 84 6.546 1.989 2.106 684 HE ARG 84 HE ARG 84 8.002 0.323 2.537 685 1HH1 ARG 84 1HH1 ARG 84 7.997 2.464 5.337 686 2HH1 ARG 84 2HH1 ARG 84 9.043 1.444 6.292 687 1HH2 ARG 84 1HH2 ARG 84 9.470 -0.932 3.681 688 2HH2 ARG 84 2HH2 ARG 84 9.878 -0.550 5.334 689 H LYS 85 H LYS 85 6.167 5.359 -0.492 690 HA LYS 85 HA LYS 85 4.881 7.842 0.106 691 1HB LYS 85 1HB LYS 85 5.225 9.049 -1.932 692 2HB LYS 85 2HB LYS 85 6.779 8.682 -1.207 693 1HG LYS 85 1HG LYS 85 7.209 8.299 -3.408 694 2HG LYS 85 2HG LYS 85 6.889 6.651 -2.852 695 1HD LYS 85 1HD LYS 85 4.705 6.657 -3.888 696 2HD LYS 85 2HD LYS 85 4.697 8.421 -4.028 697 1HE LYS 85 1HE LYS 85 6.554 8.256 -5.701 698 2HE LYS 85 2HE LYS 85 6.470 6.484 -5.575 699 1HZ LYS 85 1HZ LYS 85 4.210 6.615 -6.310 700 2HZ LYS 85 2HZ LYS 85 4.279 8.256 -6.414 701 3HZ LYS 85 3HZ LYS 85 5.204 7.330 -7.417 702 H LEU 86 H LEU 86 2.874 8.123 -0.903 703 HA LEU 86 HA LEU 86 1.459 5.706 -1.553 704 1HB LEU 86 1HB LEU 86 0.477 7.632 -0.345 705 2HB LEU 86 2HB LEU 86 0.750 8.658 -1.756 706 HG LEU 86 HG LEU 86 -0.859 7.204 -3.063 707 1HD1 LEU 86 1HD1 LEU 86 -0.768 5.145 -1.663 708 2HD1 LEU 86 2HD1 LEU 86 -1.434 6.057 -0.296 709 3HD1 LEU 86 3HD1 LEU 86 -2.415 5.781 -1.745 710 1HD2 LEU 86 1HD2 LEU 86 -1.892 8.550 -0.535 711 2HD2 LEU 86 2HD2 LEU 86 -1.533 9.349 -2.080 712 3HD2 LEU 86 3HD2 LEU 86 -2.858 8.176 -1.980 713 H LEU 87 H LEU 87 1.198 4.790 -3.587 714 HA LEU 87 HA LEU 87 2.019 6.274 -6.018 715 1HB LEU 87 1HB LEU 87 1.143 3.438 -5.435 716 2HB LEU 87 2HB LEU 87 0.988 4.075 -7.066 717 HG LEU 87 HG LEU 87 3.624 4.280 -5.598 718 1HD1 LEU 87 1HD1 LEU 87 3.023 1.918 -5.539 719 2HD1 LEU 87 2HD1 LEU 87 2.541 1.945 -7.248 720 3HD1 LEU 87 3HD1 LEU 87 4.246 2.164 -6.803 721 1HD2 LEU 87 1HD2 LEU 87 2.957 4.010 -8.569 722 2HD2 LEU 87 2HD2 LEU 87 3.212 5.570 -7.779 723 3HD2 LEU 87 3HD2 LEU 87 4.535 4.392 -7.852 724 H ARG 88 H ARG 88 -0.963 4.719 -4.646 725 HA ARG 88 HA ARG 88 -2.614 6.873 -5.420 726 1HB ARG 88 1HB ARG 88 -2.005 5.006 -7.565 727 2HB ARG 88 2HB ARG 88 -3.688 4.793 -7.152 728 1HG ARG 88 1HG ARG 88 -4.315 6.896 -7.861 729 2HG ARG 88 2HG ARG 88 -2.772 7.653 -7.435 730 1HD ARG 88 1HD ARG 88 -3.094 5.763 -9.781 731 2HD ARG 88 2HD ARG 88 -3.127 7.542 -9.874 732 HE ARG 88 HE ARG 88 -0.814 6.870 -8.444 733 1HH1 ARG 88 1HH1 ARG 88 -2.067 6.467 -11.724 734 2HH1 ARG 88 2HH1 ARG 88 -0.496 6.411 -12.477 735 1HH2 ARG 88 1HH2 ARG 88 1.225 6.804 -9.390 736 2HH2 ARG 88 2HH2 ARG 88 1.434 6.603 -11.111 737 H PHE 89 H PHE 89 -4.944 6.252 -5.404 738 HA PHE 89 HA PHE 89 -5.530 4.284 -3.249 739 1HB PHE 89 1HB PHE 89 -5.163 6.667 -2.465 740 2HB PHE 89 2HB PHE 89 -6.556 7.137 -3.418 741 HD1 PHE 89 HD1 PHE 89 -5.382 4.942 -0.641 742 HD2 PHE 89 HD2 PHE 89 -8.748 6.952 -2.432 743 HE1 PHE 89 HE1 PHE 89 -6.627 4.780 1.491 744 HE2 PHE 89 HE2 PHE 89 -10.006 6.729 -0.319 745 HZ PHE 89 HZ PHE 89 -8.957 5.624 1.650 746 H ASN 90 H ASN 90 -6.488 2.867 -4.789 747 HA ASN 90 HA ASN 90 -8.383 3.933 -6.789 748 1HB ASN 90 1HB ASN 90 -7.754 1.039 -6.172 749 2HB ASN 90 2HB ASN 90 -8.493 1.691 -7.618 750 1HD2 ASN 90 1HD2 ASN 90 -7.129 1.842 -9.383 751 2HD2 ASN 90 2HD2 ASN 90 -5.386 1.987 -9.255 752 H GLY 91 H GLY 91 -10.642 3.533 -6.719 753 1HA GLY 91 1HA GLY 91 -12.276 1.844 -5.735 754 2HA GLY 91 2HA GLY 91 -11.741 2.461 -4.164 755 HA PRO 92 HA PRO 92 -13.433 2.815 -2.794 756 1HB PRO 92 1HB PRO 92 -16.123 2.746 -2.364 757 2HB PRO 92 2HB PRO 92 -15.099 4.143 -1.939 758 1HG PRO 92 1HG PRO 92 -16.760 3.766 -4.451 759 2HG PRO 92 2HG PRO 92 -16.739 5.189 -3.366 760 1HD PRO 92 1HD PRO 92 -15.261 5.110 -5.655 761 2HD PRO 92 2HD PRO 92 -14.597 5.862 -4.181 762 H VAL 93 H VAL 93 -14.120 0.582 -2.450 763 HA VAL 93 HA VAL 93 -15.572 -0.699 -4.708 764 HB VAL 93 HB VAL 93 -14.207 -2.751 -4.358 765 1HG1 VAL 93 1HG1 VAL 93 -13.775 -1.243 -6.286 766 2HG1 VAL 93 2HG1 VAL 93 -12.552 -0.389 -5.318 767 3HG1 VAL 93 3HG1 VAL 93 -12.321 -2.093 -5.733 768 1HG2 VAL 93 1HG2 VAL 93 -12.169 -0.977 -2.949 769 2HG2 VAL 93 2HG2 VAL 93 -13.210 -2.157 -2.123 770 3HG2 VAL 93 3HG2 VAL 93 -12.063 -2.705 -3.341 771 HA PRO 94 HA PRO 94 -17.837 -2.395 -1.198 772 1HB PRO 94 1HB PRO 94 -19.213 -4.428 -2.397 773 2HB PRO 94 2HB PRO 94 -19.581 -2.714 -2.757 774 1HG PRO 94 1HG PRO 94 -17.810 -4.608 -4.332 775 2HG PRO 94 2HG PRO 94 -19.139 -3.589 -4.957 776 1HD PRO 94 1HD PRO 94 -16.516 -2.818 -5.058 777 2HD PRO 94 2HD PRO 94 -17.824 -1.630 -4.785 778 HA PRO 95 HA PRO 95 -15.261 -5.976 -0.164 779 1HB PRO 95 1HB PRO 95 -16.864 -7.477 1.484 780 2HB PRO 95 2HB PRO 95 -16.165 -5.909 1.990 781 1HG PRO 95 1HG PRO 95 -18.932 -6.420 0.857 782 2HG PRO 95 2HG PRO 95 -18.514 -5.512 2.341 783 1HD PRO 95 1HD PRO 95 -18.975 -4.255 -0.027 784 2HD PRO 95 2HD PRO 95 -17.692 -3.672 1.072 785 HA PRO 96 HA PRO 96 -16.615 -8.956 -3.222 786 1HB PRO 96 1HB PRO 96 -15.276 -11.238 -2.518 787 2HB PRO 96 2HB PRO 96 -14.454 -9.797 -3.180 788 1HG PRO 96 1HG PRO 96 -14.769 -10.559 -0.261 789 2HG PRO 96 2HG PRO 96 -13.264 -10.094 -1.109 790 1HD PRO 96 1HD PRO 96 -14.696 -8.293 0.338 791 2HD PRO 96 2HD PRO 96 -13.938 -7.809 -1.209
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