NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5383 | 1haj | 4195 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 H1 ILE 1 -17.054 4.822 -0.661 2 H2 ILE 1 H2 ILE 1 -16.727 3.207 -0.183 3 H3 ILE 1 H3 ILE 1 -17.927 4.119 0.636 4 HA ILE 1 HA ILE 1 -16.444 5.406 1.709 5 HB ILE 1 HB ILE 1 -16.262 2.743 2.030 6 1HG1 ILE 1 1HG1 ILE 1 -14.280 4.389 3.534 7 2HG1 ILE 1 2HG1 ILE 1 -15.983 4.828 3.626 8 1HG2 ILE 1 1HG2 ILE 1 -14.267 2.811 0.405 9 2HG2 ILE 1 2HG2 ILE 1 -13.372 3.456 1.781 10 3HG2 ILE 1 3HG2 ILE 1 -14.125 1.865 1.886 11 1HD1 ILE 1 1HD1 ILE 1 -16.433 2.452 4.320 12 2HD1 ILE 1 2HD1 ILE 1 -14.686 2.260 4.476 13 3HD1 ILE 1 3HD1 ILE 1 -15.537 3.439 5.474 14 H VAL 2 H VAL 2 -13.854 5.566 2.087 15 HA VAL 2 HA VAL 2 -12.699 6.198 -0.542 16 HB VAL 2 HB VAL 2 -12.314 7.788 2.002 17 1HG1 VAL 2 1HG1 VAL 2 -10.585 7.582 -0.100 18 2HG1 VAL 2 2HG1 VAL 2 -11.554 8.981 -0.561 19 3HG1 VAL 2 3HG1 VAL 2 -10.703 8.968 0.984 20 1HG2 VAL 2 1HG2 VAL 2 -14.285 7.957 -0.149 21 2HG2 VAL 2 2HG2 VAL 2 -14.312 8.649 1.473 22 3HG2 VAL 2 3HG2 VAL 2 -13.448 9.475 0.176 23 H CYS 3 H CYS 3 -10.752 5.368 -0.933 24 HA CYS 3 HA CYS 3 -9.195 4.332 1.345 25 1HB CYS 3 1HB CYS 3 -9.513 3.023 -1.366 26 2HB CYS 3 2HB CYS 3 -8.525 2.417 -0.043 27 H HIS 4 H HIS 4 -6.889 3.941 0.788 28 HA HIS 4 HA HIS 4 -5.874 6.259 -0.654 29 1HB HIS 4 1HB HIS 4 -4.388 4.261 1.055 30 2HB HIS 4 2HB HIS 4 -3.756 5.786 0.447 31 HD1 HIS 4 HD1 HIS 4 -5.572 7.875 1.243 32 HD2 HIS 4 HD2 HIS 4 -5.061 4.538 3.664 33 HE1 HIS 4 HE1 HIS 4 -6.320 8.579 3.533 34 HE2 HIS 4 HE2 HIS 4 -5.799 6.608 5.012 35 H THR 5 H THR 5 -4.707 6.166 -2.489 36 HA THR 5 HA THR 5 -4.118 3.496 -3.575 37 HB THR 5 HB THR 5 -5.958 5.174 -4.629 38 HG1 THR 5 HG1 THR 5 -5.381 2.976 -5.229 39 1HG2 THR 5 1HG2 THR 5 -3.435 5.717 -6.177 40 2HG2 THR 5 2HG2 THR 5 -5.073 6.119 -6.696 41 3HG2 THR 5 3HG2 THR 5 -4.382 6.901 -5.274 42 H THR 6 H THR 6 -2.329 3.327 -4.968 43 HA THR 6 HA THR 6 -0.346 5.490 -4.720 44 HB THR 6 HB THR 6 1.321 3.478 -4.692 45 HG1 THR 6 HG1 THR 6 0.020 1.753 -4.853 46 1HG2 THR 6 1HG2 THR 6 -0.165 4.702 -2.463 47 2HG2 THR 6 2HG2 THR 6 0.748 3.237 -2.101 48 3HG2 THR 6 3HG2 THR 6 1.569 4.642 -2.779 49 H ALA 7 H ALA 7 -2.221 4.359 -6.908 50 HA ALA 7 HA ALA 7 -0.301 3.468 -8.905 51 1HB ALA 7 1HB ALA 7 -2.903 2.815 -8.471 52 2HB ALA 7 2HB ALA 7 -2.041 2.558 -9.988 53 3HB ALA 7 3HB ALA 7 -3.050 3.989 -9.779 54 H THR 8 H THR 8 0.247 6.038 -8.061 55 HA THR 8 HA THR 8 0.035 7.493 -10.553 56 HB THR 8 HB THR 8 -1.284 9.231 -9.891 57 HG1 THR 8 HG1 THR 8 -0.711 8.934 -7.150 58 1HG2 THR 8 1HG2 THR 8 -2.675 7.233 -9.360 59 2HG2 THR 8 2HG2 THR 8 -2.176 7.407 -7.675 60 3HG2 THR 8 3HG2 THR 8 -3.101 8.688 -8.459 61 H SER 9 H SER 9 1.052 9.943 -9.743 62 HA SER 9 HA SER 9 3.754 9.234 -9.149 63 1HB SER 9 1HB SER 9 4.049 11.193 -10.220 64 2HB SER 9 2HB SER 9 2.355 11.630 -10.011 65 HG SER 9 HG SER 9 4.532 12.528 -8.688 66 HA PRO 10 HA PRO 10 2.852 10.778 -4.796 67 1HB PRO 10 1HB PRO 10 0.765 12.536 -4.413 68 2HB PRO 10 2HB PRO 10 2.413 13.015 -4.809 69 1HG PRO 10 1HG PRO 10 0.081 13.317 -6.425 70 2HG PRO 10 2HG PRO 10 1.751 13.708 -6.862 71 1HD PRO 10 1HD PRO 10 0.148 11.285 -7.485 72 2HD PRO 10 2HD PRO 10 1.465 12.034 -8.403 73 H ILE 11 H ILE 11 1.591 10.006 -2.996 74 HA ILE 11 HA ILE 11 -0.477 8.162 -3.808 75 HB ILE 11 HB ILE 11 -0.449 7.382 -1.513 76 1HG1 ILE 11 1HG1 ILE 11 1.581 9.566 -1.045 77 2HG1 ILE 11 2HG1 ILE 11 -0.051 9.514 -0.382 78 1HG2 ILE 11 1HG2 ILE 11 1.220 6.609 -3.209 79 2HG2 ILE 11 2HG2 ILE 11 2.374 7.724 -2.478 80 3HG2 ILE 11 3HG2 ILE 11 1.710 6.395 -1.528 81 1HD1 ILE 11 1HD1 ILE 11 1.292 7.087 0.245 82 2HD1 ILE 11 2HD1 ILE 11 2.300 8.456 0.718 83 3HD1 ILE 11 3HD1 ILE 11 0.652 8.321 1.333 84 H SER 12 H SER 12 -2.596 8.442 -3.613 85 HA SER 12 HA SER 12 -3.591 10.577 -1.854 86 1HB SER 12 1HB SER 12 -5.343 10.791 -3.907 87 2HB SER 12 2HB SER 12 -3.902 11.794 -3.752 88 HG SER 12 HG SER 12 -4.510 10.139 -5.708 89 H ALA 13 H ALA 13 -6.234 10.422 -2.219 90 HA ALA 13 HA ALA 13 -7.006 7.608 -2.015 91 1HB ALA 13 1HB ALA 13 -6.631 9.228 0.238 92 2HB ALA 13 2HB ALA 13 -7.404 7.644 0.170 93 3HB ALA 13 3HB ALA 13 -8.377 9.107 0.019 94 H VAL 14 H VAL 14 -8.899 7.185 -2.971 95 HA VAL 14 HA VAL 14 -10.636 9.466 -3.662 96 HB VAL 14 HB VAL 14 -9.327 8.139 -5.528 97 1HG1 VAL 14 1HG1 VAL 14 -10.510 5.990 -4.562 98 2HG1 VAL 14 2HG1 VAL 14 -11.807 6.507 -5.641 99 3HG1 VAL 14 3HG1 VAL 14 -10.201 6.169 -6.290 100 1HG2 VAL 14 1HG2 VAL 14 -11.496 9.809 -5.494 101 2HG2 VAL 14 2HG2 VAL 14 -10.640 9.268 -6.938 102 3HG2 VAL 14 3HG2 VAL 14 -12.091 8.419 -6.402 103 H THR 15 H THR 15 -12.813 8.254 -4.593 104 HA THR 15 HA THR 15 -13.778 6.664 -2.325 105 HB THR 15 HB THR 15 -15.080 8.730 -4.076 106 HG1 THR 15 HG1 THR 15 -15.082 9.802 -2.285 107 1HG2 THR 15 1HG2 THR 15 -16.504 6.677 -2.417 108 2HG2 THR 15 2HG2 THR 15 -17.232 8.183 -2.978 109 3HG2 THR 15 3HG2 THR 15 -16.681 6.981 -4.145 110 H CYS 16 H CYS 16 -13.875 4.584 -2.865 111 HA CYS 16 HA CYS 16 -13.874 3.574 -5.474 112 1HB CYS 16 1HB CYS 16 -15.070 1.918 -3.299 113 2HB CYS 16 2HB CYS 16 -13.928 1.470 -4.556 114 HA PRO 17 HA PRO 17 -18.149 4.222 -6.537 115 1HB PRO 17 1HB PRO 17 -18.137 2.916 -8.905 116 2HB PRO 17 2HB PRO 17 -17.394 4.505 -8.695 117 1HG PRO 17 1HG PRO 17 -16.112 1.804 -8.756 118 2HG PRO 17 2HG PRO 17 -15.567 3.321 -9.495 119 1HD PRO 17 1HD PRO 17 -14.561 2.344 -7.157 120 2HD PRO 17 2HD PRO 17 -14.623 4.074 -7.543 121 HA PRO 18 HA PRO 18 -20.724 0.771 -5.570 122 1HB PRO 18 1HB PRO 18 -21.594 0.606 -8.422 123 2HB PRO 18 2HB PRO 18 -22.569 0.664 -6.949 124 1HG PRO 18 1HG PRO 18 -22.312 2.822 -8.480 125 2HG PRO 18 2HG PRO 18 -22.312 2.959 -6.711 126 1HD PRO 18 1HD PRO 18 -20.038 3.147 -8.628 127 2HD PRO 18 2HD PRO 18 -20.296 4.000 -7.094 128 H GLY 19 H GLY 19 -18.635 -0.471 -5.394 129 1HA GLY 19 1HA GLY 19 -17.593 -2.053 -7.446 130 2HA GLY 19 2HA GLY 19 -18.863 -2.980 -6.660 131 H GLU 20 H GLU 20 -16.586 -0.675 -5.207 132 HA GLU 20 HA GLU 20 -15.537 -2.901 -3.575 133 1HB GLU 20 1HB GLU 20 -13.928 -0.443 -4.097 134 2HB GLU 20 2HB GLU 20 -13.381 -2.058 -3.683 135 1HG GLU 20 1HG GLU 20 -13.773 -2.848 -5.885 136 2HG GLU 20 2HG GLU 20 -14.631 -1.373 -6.328 137 H ASN 21 H ASN 21 -15.482 -2.648 -1.452 138 HA ASN 21 HA ASN 21 -16.303 -0.059 -0.333 139 1HB ASN 21 1HB ASN 21 -17.578 -2.597 -0.134 140 2HB ASN 21 2HB ASN 21 -17.053 -2.086 1.459 141 2HD2 ASN 21 2HD2 ASN 21 -19.558 -2.274 1.390 142 1HD2 ASN 21 1HD2 ASN 21 -20.367 -0.772 1.164 143 H LEU 22 H LEU 22 -14.068 -2.638 -0.300 144 HA LEU 22 HA LEU 22 -12.957 -1.772 2.269 145 1HB LEU 22 1HB LEU 22 -12.285 -4.244 0.692 146 2HB LEU 22 2HB LEU 22 -11.851 -3.887 2.344 147 HG LEU 22 HG LEU 22 -14.731 -4.106 1.568 148 1HD1 LEU 22 1HD1 LEU 22 -13.256 -6.130 0.861 149 2HD1 LEU 22 2HD1 LEU 22 -13.229 -6.473 2.591 150 3HD1 LEU 22 3HD1 LEU 22 -14.767 -6.401 1.730 151 1HD2 LEU 22 1HD2 LEU 22 -13.120 -4.112 4.058 152 2HD2 LEU 22 2HD2 LEU 22 -14.688 -3.379 3.723 153 3HD2 LEU 22 3HD2 LEU 22 -14.571 -5.114 4.017 154 H CYS 23 H CYS 23 -10.599 -1.712 2.433 155 HA CYS 23 HA CYS 23 -9.361 -0.742 -0.060 156 1HB CYS 23 1HB CYS 23 -8.377 -0.035 2.692 157 2HB CYS 23 2HB CYS 23 -8.119 0.820 1.178 158 H TYR 24 H TYR 24 -6.869 -0.996 0.008 159 HA TYR 24 HA TYR 24 -6.011 -3.290 1.552 160 1HB TYR 24 1HB TYR 24 -5.520 -4.749 -0.191 161 2HB TYR 24 2HB TYR 24 -7.096 -4.105 -0.622 162 HD1 TYR 24 HD1 TYR 24 -3.450 -3.422 -1.268 163 HD2 TYR 24 HD2 TYR 24 -7.431 -3.399 -2.788 164 HE1 TYR 24 HE1 TYR 24 -2.596 -2.808 -3.482 165 HE2 TYR 24 HE2 TYR 24 -6.579 -2.776 -5.008 166 HH TYR 24 HH TYR 24 -3.889 -3.201 -6.132 167 H ARG 25 H ARG 25 -3.853 -3.549 1.772 168 HA ARG 25 HA ARG 25 -2.064 -1.615 0.487 169 1HB ARG 25 1HB ARG 25 -2.516 -0.614 2.621 170 2HB ARG 25 2HB ARG 25 -2.329 -2.151 3.450 171 1HG ARG 25 1HG ARG 25 0.042 -2.152 3.001 172 2HG ARG 25 2HG ARG 25 -0.112 -0.678 2.043 173 1HD ARG 25 1HD ARG 25 0.700 -0.472 4.474 174 2HD ARG 25 2HD ARG 25 -0.542 0.640 3.910 175 HE ARG 25 HE ARG 25 -2.168 -0.650 5.121 176 1HH1 ARG 25 1HH1 ARG 25 1.165 -1.434 5.839 177 2HH1 ARG 25 2HH1 ARG 25 0.788 -2.165 7.360 178 1HH2 ARG 25 1HH2 ARG 25 -2.651 -1.611 7.119 179 2HH2 ARG 25 2HH2 ARG 25 -1.372 -2.266 8.087 180 H LYS 26 H LYS 26 -0.656 -2.850 -0.600 181 HA LYS 26 HA LYS 26 -0.094 -5.546 0.334 182 1HB LYS 26 1HB LYS 26 -0.597 -5.029 -2.062 183 2HB LYS 26 2HB LYS 26 0.940 -4.189 -2.149 184 1HG LYS 26 1HG LYS 26 1.367 -6.787 -1.055 185 2HG LYS 26 2HG LYS 26 0.421 -6.928 -2.539 186 1HD LYS 26 1HD LYS 26 2.968 -5.329 -2.320 187 2HD LYS 26 2HD LYS 26 2.908 -7.009 -2.859 188 1HE LYS 26 1HE LYS 26 1.156 -6.144 -4.559 189 2HE LYS 26 2HE LYS 26 1.824 -4.554 -4.190 190 1HZ LYS 26 1HZ LYS 26 3.473 -6.854 -5.077 191 2HZ LYS 26 2HZ LYS 26 2.846 -5.693 -6.136 192 3HZ LYS 26 3HZ LYS 26 3.953 -5.237 -4.941 193 H MET 27 H MET 27 1.899 -6.371 0.827 194 HA MET 27 HA MET 27 4.183 -4.576 0.946 195 1HB MET 27 1HB MET 27 2.869 -5.791 3.343 196 2HB MET 27 2HB MET 27 4.589 -5.447 3.351 197 1HG MET 27 1HG MET 27 4.258 -3.280 3.681 198 2HG MET 27 2HG MET 27 3.036 -3.189 2.415 199 1HE MET 27 1HE MET 27 4.046 -3.456 5.868 200 2HE MET 27 2HE MET 27 3.055 -2.009 6.047 201 3HE MET 27 3HE MET 27 2.598 -3.498 6.873 202 H TRP 28 H TRP 28 6.069 -5.550 0.643 203 HA TRP 28 HA TRP 28 6.638 -8.263 1.285 204 1HB TRP 28 1HB TRP 28 6.882 -9.171 -1.004 205 2HB TRP 28 2HB TRP 28 5.208 -8.816 -0.605 206 HD1 TRP 28 HD1 TRP 28 5.468 -5.650 -1.240 207 HE1 TRP 28 HE1 TRP 28 5.490 -4.909 -3.707 208 HE3 TRP 28 HE3 TRP 28 6.898 -10.054 -3.383 209 HZ2 TRP 28 HZ2 TRP 28 6.060 -6.039 -6.220 210 HZ3 TRP 28 HZ3 TRP 28 7.165 -10.144 -5.829 211 HH2 TRP 28 HH2 TRP 28 6.752 -8.177 -7.218 212 H CYS 29 H CYS 29 8.764 -8.271 1.679 213 HA CYS 29 HA CYS 29 10.353 -6.094 1.169 214 1HB CYS 29 1HB CYS 29 11.327 -8.874 1.741 215 2HB CYS 29 2HB CYS 29 12.298 -7.432 1.794 216 H ASP 30 H ASP 30 10.977 -5.322 -0.689 217 HA ASP 30 HA ASP 30 11.565 -7.026 -2.946 218 1HB ASP 30 1HB ASP 30 12.288 -4.918 -4.055 219 2HB ASP 30 2HB ASP 30 10.658 -4.793 -3.411 220 H ALA 31 H ALA 31 13.705 -7.385 -3.700 221 HA ALA 31 HA ALA 31 15.563 -8.261 -2.032 222 1HB ALA 31 1HB ALA 31 16.934 -8.472 -3.803 223 2HB ALA 31 2HB ALA 31 15.518 -7.915 -4.693 224 3HB ALA 31 3HB ALA 31 16.790 -6.774 -4.257 225 H PHE 32 H PHE 32 14.944 -6.432 -0.397 226 HA PHE 32 HA PHE 32 17.328 -5.202 0.336 227 1HB PHE 32 1HB PHE 32 15.613 -3.654 -1.370 228 2HB PHE 32 2HB PHE 32 15.732 -2.913 0.210 229 HD1 PHE 32 HD1 PHE 32 18.216 -2.881 1.182 230 HD2 PHE 32 HD2 PHE 32 17.182 -3.051 -2.939 231 HE1 PHE 32 HE1 PHE 32 20.422 -1.961 0.597 232 HE2 PHE 32 HE2 PHE 32 19.385 -2.132 -3.535 233 HZ PHE 32 HZ PHE 32 21.009 -1.586 -1.766 234 H CYS 33 H CYS 33 14.966 -6.875 1.327 235 HA CYS 33 HA CYS 33 13.280 -5.718 3.079 236 1HB CYS 33 1HB CYS 33 13.763 -8.214 2.652 237 2HB CYS 33 2HB CYS 33 14.884 -8.075 3.999 238 H SER 34 H SER 34 16.738 -5.749 3.381 239 HA SER 34 HA SER 34 16.786 -4.938 6.137 240 1HB SER 34 1HB SER 34 18.669 -5.954 4.392 241 2HB SER 34 2HB SER 34 19.147 -4.262 4.531 242 HG SER 34 HG SER 34 18.933 -4.653 6.889 243 H SER 35 H SER 35 17.594 -3.266 3.070 244 HA SER 35 HA SER 35 17.303 -0.685 4.398 245 1HB SER 35 1HB SER 35 18.980 -1.568 2.374 246 2HB SER 35 2HB SER 35 17.788 -0.595 1.514 247 HG SER 35 HG SER 35 18.928 1.027 2.192 248 H ARG 36 H ARG 36 16.261 -1.560 1.093 249 HA ARG 36 HA ARG 36 13.899 0.017 1.342 250 1HB ARG 36 1HB ARG 36 14.240 -2.098 -0.760 251 2HB ARG 36 2HB ARG 36 13.413 -0.573 -0.874 252 1HG ARG 36 1HG ARG 36 15.535 0.616 -0.834 253 2HG ARG 36 2HG ARG 36 16.391 -0.920 -0.711 254 1HD ARG 36 1HD ARG 36 16.043 -1.443 -2.891 255 2HD ARG 36 2HD ARG 36 14.472 -0.653 -2.938 256 HE ARG 36 HE ARG 36 16.425 1.325 -2.693 257 1HH1 ARG 36 1HH1 ARG 36 15.374 -1.063 -5.010 258 2HH1 ARG 36 2HH1 ARG 36 15.892 -0.144 -6.382 259 1HH2 ARG 36 1HH2 ARG 36 17.109 2.537 -4.498 260 2HH2 ARG 36 2HH2 ARG 36 16.879 1.900 -6.092 261 H GLY 37 H GLY 37 13.874 -3.468 0.352 262 1HA GLY 37 1HA GLY 37 12.491 -4.143 2.760 263 2HA GLY 37 2HA GLY 37 12.826 -5.202 1.405 264 H LYS 38 H LYS 38 10.452 -4.616 3.143 265 HA LYS 38 HA LYS 38 8.516 -5.405 1.475 266 1HB LYS 38 1HB LYS 38 7.479 -3.558 3.472 267 2HB LYS 38 2HB LYS 38 7.075 -5.229 3.154 268 1HG LYS 38 1HG LYS 38 9.543 -5.488 4.241 269 2HG LYS 38 2HG LYS 38 8.937 -4.072 5.096 270 1HD LYS 38 1HD LYS 38 7.536 -6.737 4.875 271 2HD LYS 38 2HD LYS 38 8.418 -6.152 6.287 272 1HE LYS 38 1HE LYS 38 6.635 -5.034 6.997 273 2HE LYS 38 2HE LYS 38 6.502 -4.187 5.456 274 1HZ LYS 38 1HZ LYS 38 5.519 -6.582 4.813 275 2HZ LYS 38 2HZ LYS 38 5.042 -6.493 6.434 276 3HZ LYS 38 3HZ LYS 38 4.565 -5.290 5.343 277 H VAL 39 H VAL 39 8.021 -4.622 -0.406 278 HA VAL 39 HA VAL 39 7.957 -1.828 -0.993 279 HB VAL 39 HB VAL 39 6.743 -4.130 -2.522 280 1HG1 VAL 39 1HG1 VAL 39 7.086 -1.237 -3.158 281 2HG1 VAL 39 2HG1 VAL 39 7.070 -2.441 -4.447 282 3HG1 VAL 39 3HG1 VAL 39 5.676 -2.271 -3.381 283 1HG2 VAL 39 1HG2 VAL 39 9.248 -4.166 -2.132 284 2HG2 VAL 39 2HG2 VAL 39 8.697 -4.258 -3.805 285 3HG2 VAL 39 3HG2 VAL 39 9.312 -2.736 -3.162 286 H VAL 40 H VAL 40 6.228 -0.472 -0.940 287 HA VAL 40 HA VAL 40 3.800 -1.529 0.314 288 HB VAL 40 HB VAL 40 4.648 1.359 0.128 289 1HG1 VAL 40 1HG1 VAL 40 2.383 -0.092 1.334 290 2HG1 VAL 40 2HG1 VAL 40 3.118 1.166 2.329 291 3HG1 VAL 40 3HG1 VAL 40 2.483 1.563 0.731 292 1HG2 VAL 40 1HG2 VAL 40 5.621 -0.786 1.838 293 2HG2 VAL 40 2HG2 VAL 40 6.264 0.834 1.578 294 3HG2 VAL 40 3HG2 VAL 40 4.974 0.578 2.751 295 H GLU 41 H GLU 41 1.999 -1.662 -0.758 296 HA GLU 41 HA GLU 41 1.596 -0.021 -3.170 297 1HB GLU 41 1HB GLU 41 1.874 -2.723 -3.203 298 2HB GLU 41 2HB GLU 41 0.135 -2.582 -2.993 299 1HG GLU 41 1HG GLU 41 1.384 -0.910 -5.089 300 2HG GLU 41 2HG GLU 41 1.299 -2.647 -5.379 301 H LEU 42 H LEU 42 -0.763 0.294 -3.676 302 HA LEU 42 HA LEU 42 -2.527 0.118 -1.360 303 1HB LEU 42 1HB LEU 42 -1.147 2.494 -2.115 304 2HB LEU 42 2HB LEU 42 -2.848 2.728 -2.452 305 HG LEU 42 HG LEU 42 -3.424 2.294 -0.158 306 1HD1 LEU 42 1HD1 LEU 42 -0.514 1.610 0.135 307 2HD1 LEU 42 2HD1 LEU 42 -1.555 1.978 1.511 308 3HD1 LEU 42 3HD1 LEU 42 -1.914 0.594 0.478 309 1HD2 LEU 42 1HD2 LEU 42 -2.707 4.568 -0.777 310 2HD2 LEU 42 2HD2 LEU 42 -2.361 4.186 0.910 311 3HD2 LEU 42 3HD2 LEU 42 -1.063 4.162 -0.283 312 H GLY 43 H GLY 43 -4.755 0.429 -1.844 313 1HA GLY 43 1HA GLY 43 -5.484 -0.491 -4.463 314 2HA GLY 43 2HA GLY 43 -5.914 1.189 -4.207 315 H CYS 44 H CYS 44 -8.093 0.351 -4.581 316 HA CYS 44 HA CYS 44 -9.327 -0.396 -2.035 317 1HB CYS 44 1HB CYS 44 -10.107 1.610 -3.383 318 2HB CYS 44 2HB CYS 44 -10.730 0.467 -4.567 319 H ALA 45 H ALA 45 -11.103 -1.972 -2.042 320 HA ALA 45 HA ALA 45 -11.327 -3.815 -4.235 321 1HB ALA 45 1HB ALA 45 -9.169 -4.423 -3.003 322 2HB ALA 45 2HB ALA 45 -10.331 -5.715 -3.302 323 3HB ALA 45 3HB ALA 45 -10.220 -4.982 -1.702 324 H ALA 46 H ALA 46 -12.712 -5.758 -3.549 325 HA ALA 46 HA ALA 46 -14.819 -4.761 -1.754 326 1HB ALA 46 1HB ALA 46 -16.397 -5.688 -3.108 327 2HB ALA 46 2HB ALA 46 -15.138 -5.400 -4.309 328 3HB ALA 46 3HB ALA 46 -15.346 -7.009 -3.616 329 H THR 47 H THR 47 -12.627 -7.395 -2.348 330 HA THR 47 HA THR 47 -13.721 -8.803 -0.002 331 HB THR 47 HB THR 47 -12.249 -10.712 -1.248 332 HG1 THR 47 HG1 THR 47 -11.959 -9.182 -3.028 333 1HG2 THR 47 1HG2 THR 47 -14.556 -10.999 -0.511 334 2HG2 THR 47 2HG2 THR 47 -15.114 -10.078 -1.908 335 3HG2 THR 47 3HG2 THR 47 -14.306 -11.628 -2.140 336 H CYS 48 H CYS 48 -11.820 -10.442 0.750 337 HA CYS 48 HA CYS 48 -9.333 -8.907 0.972 338 1HB CYS 48 1HB CYS 48 -10.681 -8.471 2.978 339 2HB CYS 48 2HB CYS 48 -10.757 -10.198 3.274 340 HA PRO 49 HA PRO 49 -8.338 -13.255 -0.105 341 1HB PRO 49 1HB PRO 49 -6.258 -12.683 -1.723 342 2HB PRO 49 2HB PRO 49 -7.934 -12.589 -2.275 343 1HG PRO 49 1HG PRO 49 -6.110 -10.391 -1.379 344 2HG PRO 49 2HG PRO 49 -7.217 -10.430 -2.764 345 1HD PRO 49 1HD PRO 49 -7.821 -9.201 -0.412 346 2HD PRO 49 2HD PRO 49 -9.049 -9.922 -1.471 347 H SER 50 H SER 50 -6.254 -14.458 0.104 348 HA SER 50 HA SER 50 -4.371 -13.191 1.969 349 1HB SER 50 1HB SER 50 -4.395 -15.715 2.946 350 2HB SER 50 2HB SER 50 -5.395 -14.416 3.595 351 HG SER 50 HG SER 50 -7.134 -15.252 2.647 352 H LYS 51 H LYS 51 -2.268 -14.191 2.032 353 HA LYS 51 HA LYS 51 -1.622 -16.262 0.153 354 1HB LYS 51 1HB LYS 51 0.119 -14.145 -0.589 355 2HB LYS 51 2HB LYS 51 -0.976 -15.068 -1.599 356 1HG LYS 51 1HG LYS 51 -2.713 -13.514 -1.328 357 2HG LYS 51 2HG LYS 51 -1.909 -12.732 0.032 358 1HD LYS 51 1HD LYS 51 -0.771 -11.367 -1.320 359 2HD LYS 51 2HD LYS 51 -0.255 -12.706 -2.347 360 1HE LYS 51 1HE LYS 51 -2.214 -12.578 -3.662 361 2HE LYS 51 2HE LYS 51 -3.017 -11.526 -2.496 362 1HZ LYS 51 1HZ LYS 51 -0.528 -10.536 -3.633 363 2HZ LYS 51 2HZ LYS 51 -1.847 -10.623 -4.689 364 3HZ LYS 51 3HZ LYS 51 -1.958 -9.709 -3.271 365 H LYS 52 H LYS 52 0.945 -16.297 -0.061 366 HA LYS 52 HA LYS 52 1.903 -16.791 2.568 367 1HB LYS 52 1HB LYS 52 2.618 -18.107 0.620 368 2HB LYS 52 2HB LYS 52 3.395 -16.687 -0.062 369 1HG LYS 52 1HG LYS 52 4.819 -16.642 2.038 370 2HG LYS 52 2HG LYS 52 4.189 -18.257 2.366 371 1HD LYS 52 1HD LYS 52 5.160 -19.143 0.405 372 2HD LYS 52 2HD LYS 52 5.485 -17.537 -0.250 373 1HE LYS 52 1HE LYS 52 7.534 -17.702 0.601 374 2HE LYS 52 2HE LYS 52 6.805 -17.589 2.202 375 1HZ LYS 52 1HZ LYS 52 6.750 -20.226 1.006 376 2HZ LYS 52 2HZ LYS 52 8.295 -19.645 1.374 377 3HZ LYS 52 3HZ LYS 52 7.123 -19.761 2.589 378 HA PRO 53 HA PRO 53 3.488 -12.960 4.089 379 1HB PRO 53 1HB PRO 53 6.022 -14.547 4.336 380 2HB PRO 53 2HB PRO 53 5.277 -13.439 5.496 381 1HG PRO 53 1HG PRO 53 5.005 -16.074 5.771 382 2HG PRO 53 2HG PRO 53 3.661 -14.976 6.130 383 1HD PRO 53 1HD PRO 53 4.022 -16.831 3.853 384 2HD PRO 53 2HD PRO 53 2.528 -16.203 4.570 385 H TYR 54 H TYR 54 5.355 -14.774 1.697 386 HA TYR 54 HA TYR 54 7.208 -12.879 0.936 387 1HB TYR 54 1HB TYR 54 7.547 -14.910 -0.079 388 2HB TYR 54 2HB TYR 54 5.851 -15.100 -0.465 389 HD1 TYR 54 HD1 TYR 54 5.118 -14.729 -2.649 390 HD2 TYR 54 HD2 TYR 54 8.826 -13.066 -1.391 391 HE1 TYR 54 HE1 TYR 54 5.561 -13.990 -4.952 392 HE2 TYR 54 HE2 TYR 54 9.279 -12.322 -3.690 393 HH TYR 54 HH TYR 54 8.250 -13.345 -6.192 394 H GLU 55 H GLU 55 3.808 -13.017 0.319 395 HA GLU 55 HA GLU 55 3.836 -10.314 -0.714 396 1HB GLU 55 1HB GLU 55 3.610 -12.572 -2.467 397 2HB GLU 55 2HB GLU 55 2.075 -11.715 -2.446 398 1HG GLU 55 1HG GLU 55 3.666 -9.621 -2.740 399 2HG GLU 55 2HG GLU 55 4.725 -10.845 -3.439 400 H GLU 56 H GLU 56 2.648 -9.681 1.063 401 HA GLU 56 HA GLU 56 -0.023 -10.894 1.331 402 1HB GLU 56 1HB GLU 56 1.986 -10.053 3.335 403 2HB GLU 56 2HB GLU 56 0.314 -9.675 3.712 404 1HG GLU 56 1HG GLU 56 -0.302 -11.991 3.548 405 2HG GLU 56 2HG GLU 56 1.318 -12.418 2.998 406 H VAL 57 H VAL 57 -1.751 -9.498 1.941 407 HA VAL 57 HA VAL 57 -1.315 -6.638 1.490 408 HB VAL 57 HB VAL 57 -3.782 -7.017 0.363 409 1HG1 VAL 57 1HG1 VAL 57 -2.020 -5.524 -0.427 410 2HG1 VAL 57 2HG1 VAL 57 -1.137 -6.908 -1.071 411 3HG1 VAL 57 3HG1 VAL 57 -2.705 -6.470 -1.749 412 1HG2 VAL 57 1HG2 VAL 57 -3.187 -9.517 0.388 413 2HG2 VAL 57 2HG2 VAL 57 -3.809 -8.822 -1.109 414 3HG2 VAL 57 3HG2 VAL 57 -2.080 -9.119 -0.926 415 H THR 58 H THR 58 -2.281 -5.436 3.009 416 HA THR 58 HA THR 58 -4.063 -6.753 4.889 417 HB THR 58 HB THR 58 -3.878 -4.373 5.974 418 HG1 THR 58 HG1 THR 58 -2.365 -3.114 5.205 419 1HG2 THR 58 1HG2 THR 58 -2.622 -6.672 6.504 420 2HG2 THR 58 2HG2 THR 58 -1.239 -5.673 6.058 421 3HG2 THR 58 3HG2 THR 58 -2.305 -5.168 7.369 422 H CYS 59 H CYS 59 -6.169 -6.710 4.591 423 HA CYS 59 HA CYS 59 -7.352 -4.505 3.060 424 1HB CYS 59 1HB CYS 59 -9.241 -6.603 3.482 425 2HB CYS 59 2HB CYS 59 -8.533 -6.049 1.976 426 H CYS 60 H CYS 60 -8.971 -3.267 3.907 427 HA CYS 60 HA CYS 60 -9.923 -3.927 6.609 428 1HB CYS 60 1HB CYS 60 -9.816 -1.392 7.045 429 2HB CYS 60 2HB CYS 60 -8.309 -2.299 7.103 430 H SER 61 H SER 61 -11.881 -2.652 7.221 431 HA SER 61 HA SER 61 -13.558 -2.174 4.845 432 1HB SER 61 1HB SER 61 -15.484 -2.857 6.263 433 2HB SER 61 2HB SER 61 -14.299 -4.146 6.061 434 HG SER 61 HG SER 61 -13.548 -3.760 8.118 435 H THR 62 H THR 62 -11.907 -0.193 6.202 436 HA THR 62 HA THR 62 -14.056 1.630 7.062 437 HB THR 62 HB THR 62 -11.332 2.097 8.135 438 HG1 THR 62 HG1 THR 62 -11.500 -0.104 8.500 439 1HG2 THR 62 1HG2 THR 62 -14.118 2.588 8.957 440 2HG2 THR 62 2HG2 THR 62 -12.959 2.256 10.244 441 3HG2 THR 62 3HG2 THR 62 -12.681 3.596 9.132 442 H ASP 63 H ASP 63 -12.848 3.986 7.169 443 HA ASP 63 HA ASP 63 -12.026 4.426 4.400 444 1HB ASP 63 1HB ASP 63 -13.870 5.752 5.689 445 2HB ASP 63 2HB ASP 63 -12.508 6.634 6.367 446 H LYS 64 H LYS 64 -10.209 5.678 3.864 447 HA LYS 64 HA LYS 64 -7.906 5.910 3.965 448 1HB LYS 64 1HB LYS 64 -8.456 7.339 6.555 449 2HB LYS 64 2HB LYS 64 -7.283 7.745 5.314 450 1HG LYS 64 1HG LYS 64 -9.509 8.019 3.874 451 2HG LYS 64 2HG LYS 64 -10.167 8.359 5.476 452 1HD LYS 64 1HD LYS 64 -8.203 9.975 5.742 453 2HD LYS 64 2HD LYS 64 -7.988 9.806 3.998 454 1HE LYS 64 1HE LYS 64 -10.518 10.709 5.372 455 2HE LYS 64 2HE LYS 64 -9.348 11.770 4.587 456 1HZ LYS 64 1HZ LYS 64 -9.780 10.446 2.516 457 2HZ LYS 64 2HZ LYS 64 -11.087 9.733 3.319 458 3HZ LYS 64 3HZ LYS 64 -11.071 11.403 3.044 459 H CYS 65 H CYS 65 -8.797 3.478 5.163 460 HA CYS 65 HA CYS 65 -7.248 3.111 7.581 461 1HB CYS 65 1HB CYS 65 -8.260 0.849 7.559 462 2HB CYS 65 2HB CYS 65 -9.451 2.139 7.521 463 H ASN 66 H ASN 66 -6.618 2.857 4.273 464 HA ASN 66 HA ASN 66 -4.581 0.808 4.754 465 1HB ASN 66 1HB ASN 66 -4.715 0.297 2.399 466 2HB ASN 66 2HB ASN 66 -6.309 0.192 3.126 467 2HD2 ASN 66 2HD2 ASN 66 -4.814 1.075 0.461 468 1HD2 ASN 66 1HD2 ASN 66 -5.819 2.374 -0.078 469 HA PRO 67 HA PRO 67 -2.326 4.704 3.456 470 1HB PRO 67 1HB PRO 67 -1.573 5.807 5.742 471 2HB PRO 67 2HB PRO 67 -3.236 6.010 5.172 472 1HG PRO 67 1HG PRO 67 -2.163 4.155 7.261 473 2HG PRO 67 2HG PRO 67 -3.652 5.116 7.277 474 1HD PRO 67 1HD PRO 67 -3.486 2.420 6.599 475 2HD PRO 67 2HD PRO 67 -4.818 3.509 6.173 476 H HIS 68 H HIS 68 -0.001 5.200 3.782 477 HA HIS 68 HA HIS 68 1.597 2.903 3.759 478 1HB HIS 68 1HB HIS 68 2.071 5.378 2.947 479 2HB HIS 68 2HB HIS 68 2.802 5.526 4.541 480 HD1 HIS 68 HD1 HIS 68 5.134 4.678 4.791 481 HD2 HIS 68 HD2 HIS 68 3.316 3.277 1.330 482 HE1 HIS 68 HE1 HIS 68 6.940 3.477 3.522 483 HE2 HIS 68 HE2 HIS 68 5.848 2.764 1.367 484 HA PRO 69 HA PRO 69 2.069 2.003 8.075 485 1HB PRO 69 1HB PRO 69 4.378 0.568 7.985 486 2HB PRO 69 2HB PRO 69 2.820 -0.078 7.456 487 1HG PRO 69 1HG PRO 69 5.046 1.075 5.819 488 2HG PRO 69 2HG PRO 69 4.068 -0.372 5.514 489 1HD PRO 69 1HD PRO 69 3.593 1.976 4.271 490 2HD PRO 69 2HD PRO 69 2.288 0.850 4.695 491 H LYS 70 H LYS 70 4.631 3.520 6.235 492 HA LYS 70 HA LYS 70 5.871 4.495 8.710 493 1HB LYS 70 1HB LYS 70 6.984 3.493 6.363 494 2HB LYS 70 2HB LYS 70 7.245 5.228 6.256 495 1HG LYS 70 1HG LYS 70 7.966 3.665 8.713 496 2HG LYS 70 2HG LYS 70 9.067 3.828 7.343 497 1HD LYS 70 1HD LYS 70 7.813 6.212 8.677 498 2HD LYS 70 2HD LYS 70 9.322 5.502 9.255 499 1HE LYS 70 1HE LYS 70 10.502 6.426 7.600 500 2HE LYS 70 2HE LYS 70 9.327 5.935 6.381 501 1HZ LYS 70 1HZ LYS 70 7.941 7.858 7.239 502 2HZ LYS 70 2HZ LYS 70 9.339 8.391 8.027 503 3HZ LYS 70 3HZ LYS 70 9.319 8.255 6.341 504 H GLN 71 H GLN 71 3.413 5.486 6.977 505 HA GLN 71 HA GLN 71 4.053 8.071 6.077 506 1HB GLN 71 1HB GLN 71 1.634 6.507 6.550 507 2HB GLN 71 2HB GLN 71 1.406 8.219 6.869 508 1HG GLN 71 1HG GLN 71 2.802 7.570 4.365 509 2HG GLN 71 2HG GLN 71 1.112 7.078 4.453 510 2HE2 GLN 71 2HE2 GLN 71 -0.347 8.531 3.914 511 1HE2 GLN 71 1HE2 GLN 71 -0.104 10.240 3.844 512 H ARG 72 H ARG 72 4.518 9.876 7.155 513 HA ARG 72 HA ARG 72 4.742 9.958 9.954 514 1HB ARG 72 1HB ARG 72 4.876 12.020 7.786 515 2HB ARG 72 2HB ARG 72 4.877 12.525 9.470 516 1HG ARG 72 1HG ARG 72 6.781 10.619 9.540 517 2HG ARG 72 2HG ARG 72 6.972 11.205 7.886 518 1HD ARG 72 1HD ARG 72 6.781 13.137 10.163 519 2HD ARG 72 2HD ARG 72 8.305 12.327 9.812 520 HE ARG 72 HE ARG 72 8.425 13.470 7.767 521 1HH1 ARG 72 1HH1 ARG 72 5.565 14.353 9.575 522 2HH1 ARG 72 2HH1 ARG 72 5.285 15.793 8.658 523 1HH2 ARG 72 1HH2 ARG 72 8.049 15.362 6.567 524 2HH2 ARG 72 2HH2 ARG 72 6.690 16.365 6.952 525 HA PRO 73 HA PRO 73 0.348 10.745 10.678 526 1HB PRO 73 1HB PRO 73 0.426 10.414 13.359 527 2HB PRO 73 2HB PRO 73 0.426 9.050 12.236 528 1HG PRO 73 1HG PRO 73 2.725 10.320 13.674 529 2HG PRO 73 2HG PRO 73 2.371 8.599 13.430 530 1HD PRO 73 1HD PRO 73 4.174 9.961 11.924 531 2HD PRO 73 2HD PRO 73 3.228 8.598 11.295 532 H GLY 74 H GLY 74 -0.692 12.614 11.100 533 1HA GLY 74 1HA GLY 74 0.677 14.627 12.761 534 2HA GLY 74 2HA GLY 74 -1.055 14.563 12.474 535 H1 TRP 75 H1 TRP 75 4.060 3.287 -10.980 536 H2 TRP 75 H2 TRP 75 5.333 2.905 -12.067 537 H3 TRP 75 H3 TRP 75 4.401 1.649 -11.366 538 HA TRP 75 HA TRP 75 6.369 1.650 -10.209 539 1HB TRP 75 1HB TRP 75 7.178 3.846 -9.184 540 2HB TRP 75 2HB TRP 75 7.346 3.684 -10.928 541 HD1 TRP 75 HD1 TRP 75 4.109 4.737 -9.100 542 HE1 TRP 75 HE1 TRP 75 3.475 7.097 -9.904 543 HE3 TRP 75 HE3 TRP 75 8.193 5.732 -12.010 544 HZ2 TRP 75 HZ2 TRP 75 4.559 9.115 -11.551 545 HZ3 TRP 75 HZ3 TRP 75 8.319 7.901 -13.165 546 HH2 TRP 75 HH2 TRP 75 6.538 9.557 -12.939 547 H ARG 76 H ARG 76 6.737 2.143 -7.773 548 HA ARG 76 HA ARG 76 4.266 2.718 -6.342 549 1HB ARG 76 1HB ARG 76 4.223 0.642 -5.128 550 2HB ARG 76 2HB ARG 76 4.192 0.284 -6.847 551 1HG ARG 76 1HG ARG 76 6.795 0.298 -5.391 552 2HG ARG 76 2HG ARG 76 5.707 -1.084 -5.251 553 1HD ARG 76 1HD ARG 76 5.905 -1.640 -7.478 554 2HD ARG 76 2HD ARG 76 6.373 -0.007 -7.953 555 HE ARG 76 HE ARG 76 8.467 -0.698 -6.493 556 1HH1 ARG 76 1HH1 ARG 76 6.754 -2.540 -8.918 557 2HH1 ARG 76 2HH1 ARG 76 8.146 -3.459 -9.379 558 1HH2 ARG 76 1HH2 ARG 76 10.295 -1.906 -7.104 559 2HH2 ARG 76 2HH2 ARG 76 10.155 -3.100 -8.351 560 H TYR 77 H TYR 77 5.037 1.869 -3.815 561 HA TYR 77 HA TYR 77 7.546 3.375 -3.410 562 1HB TYR 77 1HB TYR 77 5.281 3.407 -1.434 563 2HB TYR 77 2HB TYR 77 6.651 4.499 -1.545 564 HD1 TYR 77 HD1 TYR 77 3.789 3.412 -3.714 565 HD2 TYR 77 HD2 TYR 77 6.206 6.616 -2.309 566 HE1 TYR 77 HE1 TYR 77 2.441 4.999 -5.022 567 HE2 TYR 77 HE2 TYR 77 4.865 8.210 -3.612 568 HH TYR 77 HH TYR 77 1.905 7.553 -4.829 569 H TYR 78 H TYR 78 8.800 2.765 -1.570 570 HA TYR 78 HA TYR 78 8.350 -0.005 -0.758 571 1HB TYR 78 1HB TYR 78 10.839 1.700 -0.572 572 2HB TYR 78 2HB TYR 78 10.730 0.024 -0.077 573 HD1 TYR 78 HD1 TYR 78 8.783 -0.437 -2.637 574 HD2 TYR 78 HD2 TYR 78 12.752 0.962 -2.019 575 HE1 TYR 78 HE1 TYR 78 9.388 -1.173 -4.901 576 HE2 TYR 78 HE2 TYR 78 13.365 0.232 -4.287 577 HH TYR 78 HH TYR 78 12.300 -0.255 -6.418 578 H GLU 79 H GLU 79 8.908 -0.536 1.513 579 HA GLU 79 HA GLU 79 7.371 1.010 3.286 580 1HB GLU 79 1HB GLU 79 7.792 -1.399 3.590 581 2HB GLU 79 2HB GLU 79 9.480 -1.063 3.940 582 1HG GLU 79 1HG GLU 79 8.914 -0.967 6.077 583 2HG GLU 79 2HG GLU 79 8.085 0.545 5.712 584 H SER 80 H SER 80 10.735 1.113 2.438 585 HA SER 80 HA SER 80 11.917 2.313 4.602 586 1HB SER 80 1HB SER 80 13.644 2.964 3.170 587 2HB SER 80 2HB SER 80 12.911 1.610 2.311 588 HG SER 80 HG SER 80 11.974 2.994 0.905 589 H SER 81 H SER 81 10.483 4.089 1.841 590 HA SER 81 HA SER 81 9.767 6.234 3.696 591 1HB SER 81 1HB SER 81 11.852 6.386 1.767 592 2HB SER 81 2HB SER 81 10.569 7.502 1.321 593 HG SER 81 HG SER 81 10.685 8.165 3.624 594 H LEU 82 H LEU 82 8.400 7.942 2.515 595 HA LEU 82 HA LEU 82 6.264 6.526 1.151 596 1HB LEU 82 1HB LEU 82 6.225 9.469 1.682 597 2HB LEU 82 2HB LEU 82 4.890 8.334 1.645 598 HG LEU 82 HG LEU 82 6.939 8.628 3.842 599 1HD1 LEU 82 1HD1 LEU 82 5.127 10.354 3.656 600 2HD1 LEU 82 2HD1 LEU 82 3.961 9.056 3.920 601 3HD1 LEU 82 3HD1 LEU 82 5.145 9.447 5.169 602 1HD2 LEU 82 1HD2 LEU 82 5.511 6.329 3.094 603 2HD2 LEU 82 2HD2 LEU 82 6.411 6.605 4.586 604 3HD2 LEU 82 3HD2 LEU 82 4.688 6.982 4.513 605 H GLU 83 H GLU 83 9.051 7.780 0.082 606 HA GLU 83 HA GLU 83 8.210 9.450 -2.054 607 1HB GLU 83 1HB GLU 83 10.790 7.905 -1.954 608 2HB GLU 83 2HB GLU 83 10.472 9.440 -2.745 609 1HG GLU 83 1HG GLU 83 9.914 9.699 0.038 610 2HG GLU 83 2HG GLU 83 11.512 8.985 -0.172 611 HA PRO 84 HA PRO 84 7.078 6.469 -5.107 612 1HB PRO 84 1HB PRO 84 8.295 8.081 -7.221 613 2HB PRO 84 2HB PRO 84 6.585 7.804 -6.882 614 1HG PRO 84 1HG PRO 84 7.778 10.203 -6.493 615 2HG PRO 84 2HG PRO 84 6.428 9.631 -5.496 616 1HD PRO 84 1HD PRO 84 9.366 9.622 -4.893 617 2HD PRO 84 2HD PRO 84 8.005 10.037 -3.836 618 H TYR 85 H TYR 85 7.914 4.859 -6.475 619 HA TYR 85 HA TYR 85 10.815 4.816 -6.823 620 1HB TYR 85 1HB TYR 85 9.186 2.992 -5.141 621 2HB TYR 85 2HB TYR 85 10.500 2.280 -6.067 622 HD1 TYR 85 HD1 TYR 85 9.842 5.182 -3.769 623 HD2 TYR 85 HD2 TYR 85 12.603 2.210 -5.087 624 HE1 TYR 85 HE1 TYR 85 11.433 5.889 -2.033 625 HE2 TYR 85 HE2 TYR 85 14.196 2.919 -3.354 626 HH TYR 85 HH TYR 85 14.672 4.952 -2.011 627 HA PRO 86 HA PRO 86 9.223 3.487 -10.832 628 1HB PRO 86 1HB PRO 86 11.708 3.198 -11.969 629 2HB PRO 86 2HB PRO 86 10.828 4.727 -11.876 630 1HG PRO 86 1HG PRO 86 13.013 3.685 -10.120 631 2HG PRO 86 2HG PRO 86 12.762 5.325 -10.746 632 1HD PRO 86 1HD PRO 86 12.133 4.665 -8.220 633 2HD PRO 86 2HD PRO 86 11.161 5.825 -9.149 634 H ASP 87 H ASP 87 9.124 1.547 -11.958 635 HA ASP 87 HA ASP 87 10.064 -0.772 -10.463 636 1HB ASP 87 1HB ASP 87 8.579 -2.030 -12.077 637 2HB ASP 87 2HB ASP 87 7.751 -0.871 -11.041 No H/Q in entry = 637 Start of MODEL 2 1 H1 ILE 1 H1 ILE 1 -16.434 2.963 -0.297 2 H2 ILE 1 H2 ILE 1 -17.474 2.518 0.993 3 H3 ILE 1 H3 ILE 1 -17.542 4.104 0.339 4 HA ILE 1 HA ILE 1 -16.388 4.397 2.244 5 HB ILE 1 HB ILE 1 -16.035 1.730 2.259 6 1HG1 ILE 1 1HG1 ILE 1 -14.115 3.297 3.908 7 2HG1 ILE 1 2HG1 ILE 1 -15.829 3.668 4.059 8 1HG2 ILE 1 1HG2 ILE 1 -14.076 2.130 0.618 9 2HG2 ILE 1 2HG2 ILE 1 -13.198 2.635 2.062 10 3HG2 ILE 1 3HG2 ILE 1 -13.863 1.007 1.961 11 1HD1 ILE 1 1HD1 ILE 1 -15.908 0.992 4.275 12 2HD1 ILE 1 2HD1 ILE 1 -14.312 1.316 4.952 13 3HD1 ILE 1 3HD1 ILE 1 -15.738 2.086 5.647 14 H VAL 2 H VAL 2 -13.765 4.613 2.555 15 HA VAL 2 HA VAL 2 -12.759 5.653 -0.005 16 HB VAL 2 HB VAL 2 -12.377 6.915 2.718 17 1HG1 VAL 2 1HG1 VAL 2 -10.701 7.068 0.533 18 2HG1 VAL 2 2HG1 VAL 2 -11.701 8.512 0.381 19 3HG1 VAL 2 3HG1 VAL 2 -10.785 8.226 1.860 20 1HG2 VAL 2 1HG2 VAL 2 -14.471 7.168 0.777 21 2HG2 VAL 2 2HG2 VAL 2 -14.316 7.934 2.358 22 3HG2 VAL 2 3HG2 VAL 2 -13.610 8.699 0.935 23 H CYS 3 H CYS 3 -10.862 4.865 -0.599 24 HA CYS 3 HA CYS 3 -9.120 3.686 1.471 25 1HB CYS 3 1HB CYS 3 -9.456 2.691 -1.372 26 2HB CYS 3 2HB CYS 3 -8.426 1.979 -0.137 27 H HIS 4 H HIS 4 -6.828 3.517 0.799 28 HA HIS 4 HA HIS 4 -6.010 6.040 -0.405 29 1HB HIS 4 1HB HIS 4 -4.324 3.966 1.002 30 2HB HIS 4 2HB HIS 4 -3.839 5.605 0.581 31 HD1 HIS 4 HD1 HIS 4 -5.636 7.464 1.737 32 HD2 HIS 4 HD2 HIS 4 -5.063 3.795 3.593 33 HE1 HIS 4 HE1 HIS 4 -6.386 7.780 4.112 34 HE2 HIS 4 HE2 HIS 4 -5.810 5.614 5.259 35 H THR 5 H THR 5 -4.331 6.147 -1.987 36 HA THR 5 HA THR 5 -3.931 3.681 -3.524 37 HB THR 5 HB THR 5 -5.659 5.577 -4.378 38 HG1 THR 5 HG1 THR 5 -5.339 4.629 -6.438 39 1HG2 THR 5 1HG2 THR 5 -3.930 7.287 -4.661 40 2HG2 THR 5 2HG2 THR 5 -3.071 6.217 -5.771 41 3HG2 THR 5 3HG2 THR 5 -4.672 6.830 -6.195 42 H THR 6 H THR 6 -2.079 3.604 -4.779 43 HA THR 6 HA THR 6 -0.064 5.676 -4.239 44 HB THR 6 HB THR 6 1.634 3.873 -4.068 45 HG1 THR 6 HG1 THR 6 -0.654 2.283 -4.335 46 1HG2 THR 6 1HG2 THR 6 -0.322 4.538 -2.090 47 2HG2 THR 6 2HG2 THR 6 0.224 2.873 -1.882 48 3HG2 THR 6 3HG2 THR 6 1.395 4.190 -1.897 49 H ALA 7 H ALA 7 -1.820 4.969 -6.585 50 HA ALA 7 HA ALA 7 0.103 4.079 -8.581 51 1HB ALA 7 1HB ALA 7 -2.222 3.249 -8.629 52 2HB ALA 7 2HB ALA 7 -1.755 4.064 -10.122 53 3HB ALA 7 3HB ALA 7 -2.777 4.892 -8.947 54 H THR 8 H THR 8 0.220 6.744 -7.128 55 HA THR 8 HA THR 8 0.532 8.406 -9.531 56 HB THR 8 HB THR 8 -0.715 10.132 -8.712 57 HG1 THR 8 HG1 THR 8 -0.443 9.472 -5.998 58 1HG2 THR 8 1HG2 THR 8 -2.057 7.866 -8.316 59 2HG2 THR 8 2HG2 THR 8 -1.998 8.452 -6.651 60 3HG2 THR 8 3HG2 THR 8 -2.715 9.452 -7.917 61 H SER 9 H SER 9 1.759 10.594 -8.580 62 HA SER 9 HA SER 9 4.306 9.604 -7.766 63 1HB SER 9 1HB SER 9 3.314 12.031 -8.823 64 2HB SER 9 2HB SER 9 4.119 12.426 -7.307 65 HG SER 9 HG SER 9 5.946 12.105 -8.270 66 HA PRO 10 HA PRO 10 3.173 11.284 -3.476 67 1HB PRO 10 1HB PRO 10 1.166 12.979 -3.095 68 2HB PRO 10 2HB PRO 10 2.656 13.554 -3.856 69 1HG PRO 10 1HG PRO 10 0.042 12.825 -5.119 70 2HG PRO 10 2HG PRO 10 1.124 14.179 -5.490 71 1HD PRO 10 1HD PRO 10 1.025 11.775 -6.887 72 2HD PRO 10 2HD PRO 10 2.374 12.921 -6.911 73 H ILE 11 H ILE 11 1.064 11.157 -1.843 74 HA ILE 11 HA ILE 11 -0.300 8.733 -2.733 75 HB ILE 11 HB ILE 11 -0.552 10.012 -0.023 76 1HG1 ILE 11 1HG1 ILE 11 1.467 8.038 -1.077 77 2HG1 ILE 11 2HG1 ILE 11 1.782 9.578 -0.287 78 1HG2 ILE 11 1HG2 ILE 11 -1.096 7.229 -1.035 79 2HG2 ILE 11 2HG2 ILE 11 -1.203 7.730 0.652 80 3HG2 ILE 11 3HG2 ILE 11 -2.295 8.426 -0.545 81 1HD1 ILE 11 1HD1 ILE 11 0.537 7.199 1.067 82 2HD1 ILE 11 2HD1 ILE 11 2.251 7.605 1.126 83 3HD1 ILE 11 3HD1 ILE 11 1.061 8.704 1.824 84 H SER 12 H SER 12 -2.524 8.466 -2.639 85 HA SER 12 HA SER 12 -4.193 10.838 -2.344 86 1HB SER 12 1HB SER 12 -5.268 9.902 -4.652 87 2HB SER 12 2HB SER 12 -4.091 11.213 -4.579 88 HG SER 12 HG SER 12 -3.830 8.967 -5.860 89 H ALA 13 H ALA 13 -6.424 10.386 -2.098 90 HA ALA 13 HA ALA 13 -7.142 7.555 -1.821 91 1HB ALA 13 1HB ALA 13 -6.817 9.449 0.340 92 2HB ALA 13 2HB ALA 13 -8.455 8.797 0.292 93 3HB ALA 13 3HB ALA 13 -7.074 7.705 0.399 94 H VAL 14 H VAL 14 -9.150 7.071 -2.517 95 HA VAL 14 HA VAL 14 -10.964 9.317 -3.105 96 HB VAL 14 HB VAL 14 -9.746 8.014 -5.077 97 1HG1 VAL 14 1HG1 VAL 14 -10.926 5.866 -4.114 98 2HG1 VAL 14 2HG1 VAL 14 -12.274 6.453 -5.090 99 3HG1 VAL 14 3HG1 VAL 14 -10.722 6.098 -5.851 100 1HG2 VAL 14 1HG2 VAL 14 -11.844 9.751 -4.878 101 2HG2 VAL 14 2HG2 VAL 14 -11.109 9.206 -6.386 102 3HG2 VAL 14 3HG2 VAL 14 -12.553 8.403 -5.768 103 H THR 15 H THR 15 -13.157 8.021 -3.929 104 HA THR 15 HA THR 15 -13.893 6.301 -1.665 105 HB THR 15 HB THR 15 -15.296 8.601 -2.967 106 HG1 THR 15 HG1 THR 15 -14.224 8.876 -0.974 107 1HG2 THR 15 1HG2 THR 15 -16.700 6.389 -1.499 108 2HG2 THR 15 2HG2 THR 15 -17.397 7.964 -1.884 109 3HG2 THR 15 3HG2 THR 15 -16.936 6.861 -3.181 110 H CYS 16 H CYS 16 -14.001 4.292 -2.454 111 HA CYS 16 HA CYS 16 -14.394 3.554 -5.106 112 1HB CYS 16 1HB CYS 16 -15.307 1.733 -2.913 113 2HB CYS 16 2HB CYS 16 -14.436 1.356 -4.392 114 HA PRO 17 HA PRO 17 -18.702 4.358 -5.783 115 1HB PRO 17 1HB PRO 17 -19.056 2.641 -7.891 116 2HB PRO 17 2HB PRO 17 -18.336 4.246 -8.035 117 1HG PRO 17 1HG PRO 17 -17.003 1.576 -7.854 118 2HG PRO 17 2HG PRO 17 -16.599 2.963 -8.882 119 1HD PRO 17 1HD PRO 17 -15.216 2.403 -6.646 120 2HD PRO 17 2HD PRO 17 -15.509 4.073 -7.168 121 HA PRO 18 HA PRO 18 -21.222 1.213 -3.986 122 1HB PRO 18 1HB PRO 18 -23.192 0.704 -5.843 123 2HB PRO 18 2HB PRO 18 -23.184 2.093 -4.752 124 1HG PRO 18 1HG PRO 18 -22.332 1.925 -7.614 125 2HG PRO 18 2HG PRO 18 -23.250 3.200 -6.791 126 1HD PRO 18 1HD PRO 18 -20.643 3.485 -7.331 127 2HD PRO 18 2HD PRO 18 -21.350 4.123 -5.833 128 H GLY 19 H GLY 19 -19.136 -0.082 -4.586 129 1HA GLY 19 1HA GLY 19 -18.838 -1.881 -6.592 130 2HA GLY 19 2HA GLY 19 -20.029 -2.646 -5.549 131 H GLU 20 H GLU 20 -17.224 -0.636 -4.698 132 HA GLU 20 HA GLU 20 -16.074 -2.975 -3.318 133 1HB GLU 20 1HB GLU 20 -14.505 -0.506 -3.900 134 2HB GLU 20 2HB GLU 20 -13.939 -2.154 -3.702 135 1HG GLU 20 1HG GLU 20 -13.817 -2.281 -5.908 136 2HG GLU 20 2HG GLU 20 -15.579 -2.248 -5.940 137 H ASN 21 H ASN 21 -15.685 -2.895 -1.216 138 HA ASN 21 HA ASN 21 -16.214 -0.386 0.217 139 1HB ASN 21 1HB ASN 21 -17.612 -2.855 0.362 140 2HB ASN 21 2HB ASN 21 -16.846 -2.540 1.906 141 2HD2 ASN 21 2HD2 ASN 21 -19.331 -2.584 2.196 142 1HD2 ASN 21 1HD2 ASN 21 -20.068 -1.028 2.222 143 H LEU 22 H LEU 22 -14.129 -3.019 -0.299 144 HA LEU 22 HA LEU 22 -12.711 -2.544 2.215 145 1HB LEU 22 1HB LEU 22 -12.343 -4.764 0.213 146 2HB LEU 22 2HB LEU 22 -11.621 -4.655 1.800 147 HG LEU 22 HG LEU 22 -14.595 -4.682 1.558 148 1HD1 LEU 22 1HD1 LEU 22 -12.758 -6.893 0.911 149 2HD1 LEU 22 2HD1 LEU 22 -14.088 -7.280 2.002 150 3HD1 LEU 22 3HD1 LEU 22 -14.425 -6.609 0.407 151 1HD2 LEU 22 1HD2 LEU 22 -12.574 -4.993 3.642 152 2HD2 LEU 22 2HD2 LEU 22 -14.269 -4.522 3.763 153 3HD2 LEU 22 3HD2 LEU 22 -13.832 -6.228 3.685 154 H CYS 23 H CYS 23 -10.330 -2.634 2.101 155 HA CYS 23 HA CYS 23 -9.289 -1.385 -0.356 156 1HB CYS 23 1HB CYS 23 -8.212 -0.785 2.384 157 2HB CYS 23 2HB CYS 23 -7.998 0.138 0.902 158 H TYR 24 H TYR 24 -7.005 -1.794 -0.771 159 HA TYR 24 HA TYR 24 -5.954 -4.087 0.720 160 1HB TYR 24 1HB TYR 24 -5.417 -5.336 -1.165 161 2HB TYR 24 2HB TYR 24 -7.006 -4.695 -1.550 162 HD1 TYR 24 HD1 TYR 24 -3.394 -3.705 -2.033 163 HD2 TYR 24 HD2 TYR 24 -7.315 -3.941 -3.689 164 HE1 TYR 24 HE1 TYR 24 -2.534 -2.872 -4.171 165 HE2 TYR 24 HE2 TYR 24 -6.458 -3.099 -5.833 166 HH TYR 24 HH TYR 24 -4.262 -3.038 -7.042 167 H ARG 25 H ARG 25 -3.796 -4.233 0.971 168 HA ARG 25 HA ARG 25 -2.093 -2.125 -0.140 169 1HB ARG 25 1HB ARG 25 -2.719 -1.349 2.089 170 2HB ARG 25 2HB ARG 25 -2.256 -2.896 2.784 171 1HG ARG 25 1HG ARG 25 0.000 -2.470 2.570 172 2HG ARG 25 2HG ARG 25 -0.240 -1.279 1.290 173 1HD ARG 25 1HD ARG 25 0.035 0.253 2.893 174 2HD ARG 25 2HD ARG 25 -1.599 -0.171 3.398 175 HE ARG 25 HE ARG 25 0.869 -0.830 4.740 176 1HH1 ARG 25 1HH1 ARG 25 -2.517 -1.604 4.379 177 2HH1 ARG 25 2HH1 ARG 25 -2.635 -2.364 5.930 178 1HH2 ARG 25 1HH2 ARG 25 0.712 -1.828 6.778 179 2HH2 ARG 25 2HH2 ARG 25 -0.803 -2.491 7.292 180 H LYS 26 H LYS 26 -0.564 -3.184 -1.240 181 HA LYS 26 HA LYS 26 0.115 -5.906 -0.472 182 1HB LYS 26 1HB LYS 26 -0.298 -5.422 -2.831 183 2HB LYS 26 2HB LYS 26 1.021 -4.267 -2.834 184 1HG LYS 26 1HG LYS 26 2.641 -5.912 -2.716 185 2HG LYS 26 2HG LYS 26 1.516 -7.109 -2.071 186 1HD LYS 26 1HD LYS 26 1.809 -7.797 -4.273 187 2HD LYS 26 2HD LYS 26 0.311 -6.864 -4.343 188 1HE LYS 26 1HE LYS 26 1.399 -5.003 -5.300 189 2HE LYS 26 2HE LYS 26 2.997 -5.640 -4.911 190 1HZ LYS 26 1HZ LYS 26 2.055 -7.586 -6.455 191 2HZ LYS 26 2HZ LYS 26 1.244 -6.267 -7.138 192 3HZ LYS 26 3HZ LYS 26 2.933 -6.269 -7.054 193 H MET 27 H MET 27 2.021 -6.611 0.261 194 HA MET 27 HA MET 27 4.215 -4.715 0.529 195 1HB MET 27 1HB MET 27 2.808 -6.069 2.789 196 2HB MET 27 2HB MET 27 4.513 -5.680 2.926 197 1HG MET 27 1HG MET 27 4.141 -3.467 3.107 198 2HG MET 27 2HG MET 27 2.759 -3.496 2.013 199 1HE MET 27 1HE MET 27 0.944 -5.223 2.645 200 2HE MET 27 2HE MET 27 0.705 -5.848 4.276 201 3HE MET 27 3HE MET 27 -0.160 -4.405 3.750 202 H TRP 28 H TRP 28 6.173 -5.569 0.346 203 HA TRP 28 HA TRP 28 6.839 -8.278 0.894 204 1HB TRP 28 1HB TRP 28 7.329 -9.018 -1.440 205 2HB TRP 28 2HB TRP 28 5.614 -8.861 -1.098 206 HD1 TRP 28 HD1 TRP 28 5.678 -5.605 -1.542 207 HE1 TRP 28 HE1 TRP 28 5.677 -4.748 -3.969 208 HE3 TRP 28 HE3 TRP 28 7.366 -9.815 -3.875 209 HZ2 TRP 28 HZ2 TRP 28 6.323 -5.723 -6.528 210 HZ3 TRP 28 HZ3 TRP 28 7.652 -9.775 -6.320 211 HH2 TRP 28 HH2 TRP 28 7.139 -7.771 -7.619 212 H CYS 29 H CYS 29 8.899 -8.175 1.482 213 HA CYS 29 HA CYS 29 10.406 -5.926 1.273 214 1HB CYS 29 1HB CYS 29 11.479 -8.706 1.636 215 2HB CYS 29 2HB CYS 29 12.383 -7.239 1.888 216 H ASP 30 H ASP 30 11.189 -4.915 -0.405 217 HA ASP 30 HA ASP 30 11.932 -6.286 -2.826 218 1HB ASP 30 1HB ASP 30 12.602 -4.115 -3.669 219 2HB ASP 30 2HB ASP 30 11.067 -3.917 -2.844 220 H ALA 31 H ALA 31 14.095 -6.578 -3.489 221 HA ALA 31 HA ALA 31 15.845 -7.717 -1.846 222 1HB ALA 31 1HB ALA 31 16.480 -7.882 -4.030 223 2HB ALA 31 2HB ALA 31 17.689 -6.743 -3.439 224 3HB ALA 31 3HB ALA 31 16.289 -6.156 -4.335 225 H PHE 32 H PHE 32 15.138 -6.013 -0.049 226 HA PHE 32 HA PHE 32 17.504 -5.004 1.007 227 1HB PHE 32 1HB PHE 32 16.126 -3.186 -0.702 228 2HB PHE 32 2HB PHE 32 15.961 -2.633 0.946 229 HD1 PHE 32 HD1 PHE 32 17.306 -0.666 0.659 230 HD2 PHE 32 HD2 PHE 32 18.897 -4.511 -0.207 231 HE1 PHE 32 HE1 PHE 32 19.563 0.297 0.563 232 HE2 PHE 32 HE2 PHE 32 21.160 -3.558 -0.304 233 HZ PHE 32 HZ PHE 32 21.496 -1.149 0.082 234 H CYS 33 H CYS 33 15.110 -6.678 1.649 235 HA CYS 33 HA CYS 33 13.226 -5.699 3.284 236 1HB CYS 33 1HB CYS 33 13.804 -8.136 2.770 237 2HB CYS 33 2HB CYS 33 14.832 -8.062 4.196 238 H SER 34 H SER 34 16.629 -5.669 4.005 239 HA SER 34 HA SER 34 16.303 -5.020 6.785 240 1HB SER 34 1HB SER 34 18.600 -5.188 4.881 241 2HB SER 34 2HB SER 34 18.809 -4.244 6.356 242 HG SER 34 HG SER 34 17.809 -6.889 6.387 243 H SER 35 H SER 35 17.299 -3.184 3.887 244 HA SER 35 HA SER 35 16.906 -0.669 5.315 245 1HB SER 35 1HB SER 35 17.540 -0.214 2.573 246 2HB SER 35 2HB SER 35 18.560 0.046 3.985 247 HG SER 35 HG SER 35 19.635 -1.695 3.513 248 H ARG 36 H ARG 36 16.098 -1.391 1.917 249 HA ARG 36 HA ARG 36 13.718 0.165 2.046 250 1HB ARG 36 1HB ARG 36 14.541 -1.852 -0.048 251 2HB ARG 36 2HB ARG 36 13.271 -0.684 -0.215 252 1HG ARG 36 1HG ARG 36 16.107 -0.398 -0.669 253 2HG ARG 36 2HG ARG 36 14.769 0.598 -1.226 254 1HD ARG 36 1HD ARG 36 14.725 1.640 1.062 255 2HD ARG 36 2HD ARG 36 16.224 0.780 1.406 256 HE ARG 36 HE ARG 36 16.779 2.098 -0.889 257 1HH1 ARG 36 1HH1 ARG 36 15.498 3.104 2.196 258 2HH1 ARG 36 2HH1 ARG 36 16.171 4.697 2.097 259 1HH2 ARG 36 1HH2 ARG 36 17.666 4.190 -1.022 260 2HH2 ARG 36 2HH2 ARG 36 17.402 5.314 0.269 261 H GLY 37 H GLY 37 13.812 -3.266 0.942 262 1HA GLY 37 1HA GLY 37 12.230 -4.071 3.185 263 2HA GLY 37 2HA GLY 37 12.684 -5.055 1.808 264 H LYS 38 H LYS 38 10.191 -4.785 3.293 265 HA LYS 38 HA LYS 38 8.421 -5.431 1.449 266 1HB LYS 38 1HB LYS 38 7.141 -3.764 3.443 267 2HB LYS 38 2HB LYS 38 6.881 -5.442 3.028 268 1HG LYS 38 1HG LYS 38 7.590 -5.547 5.219 269 2HG LYS 38 2HG LYS 38 9.067 -5.867 4.315 270 1HD LYS 38 1HD LYS 38 9.216 -3.189 4.499 271 2HD LYS 38 2HD LYS 38 8.320 -3.543 5.978 272 1HE LYS 38 1HE LYS 38 11.041 -4.525 5.162 273 2HE LYS 38 2HE LYS 38 10.605 -3.569 6.577 274 1HZ LYS 38 1HZ LYS 38 9.395 -5.477 7.444 275 2HZ LYS 38 2HZ LYS 38 9.826 -6.393 6.088 276 3HZ LYS 38 3HZ LYS 38 11.017 -5.869 7.168 277 H VAL 39 H VAL 39 8.021 -4.549 -0.414 278 HA VAL 39 HA VAL 39 7.940 -1.743 -0.886 279 HB VAL 39 HB VAL 39 6.679 -3.925 -2.545 280 1HG1 VAL 39 1HG1 VAL 39 6.288 -1.304 -2.842 281 2HG1 VAL 39 2HG1 VAL 39 7.774 -1.482 -3.776 282 3HG1 VAL 39 3HG1 VAL 39 6.349 -2.432 -4.199 283 1HG2 VAL 39 1HG2 VAL 39 9.132 -4.246 -2.052 284 2HG2 VAL 39 2HG2 VAL 39 8.689 -4.160 -3.757 285 3HG2 VAL 39 3HG2 VAL 39 9.414 -2.762 -2.963 286 H VAL 40 H VAL 40 6.144 -0.401 -0.977 287 HA VAL 40 HA VAL 40 3.711 -1.517 0.233 288 HB VAL 40 HB VAL 40 4.172 1.426 0.132 289 1HG1 VAL 40 1HG1 VAL 40 2.507 -0.474 1.560 290 2HG1 VAL 40 2HG1 VAL 40 3.312 0.663 2.643 291 3HG1 VAL 40 3HG1 VAL 40 2.299 1.263 1.328 292 1HG2 VAL 40 1HG2 VAL 40 5.816 -0.508 1.669 293 2HG2 VAL 40 2HG2 VAL 40 6.243 1.070 1.009 294 3HG2 VAL 40 3HG2 VAL 40 5.290 0.963 2.490 295 H GLU 41 H GLU 41 1.961 -1.671 -0.902 296 HA GLU 41 HA GLU 41 1.515 0.103 -3.212 297 1HB GLU 41 1HB GLU 41 2.035 -2.510 -3.541 298 2HB GLU 41 2HB GLU 41 0.307 -2.611 -3.233 299 1HG GLU 41 1HG GLU 41 0.830 -2.505 -5.621 300 2HG GLU 41 2HG GLU 41 -0.157 -1.146 -5.087 301 H LEU 42 H LEU 42 -0.784 0.457 -3.694 302 HA LEU 42 HA LEU 42 -2.574 -0.035 -1.415 303 1HB LEU 42 1HB LEU 42 -1.605 2.528 -2.468 304 2HB LEU 42 2HB LEU 42 -3.342 2.446 -2.292 305 HG LEU 42 HG LEU 42 -3.245 2.283 0.008 306 1HD1 LEU 42 1HD1 LEU 42 -0.416 1.329 -0.322 307 2HD1 LEU 42 2HD1 LEU 42 -1.094 1.803 1.235 308 3HD1 LEU 42 3HD1 LEU 42 -1.793 0.451 0.345 309 1HD2 LEU 42 1HD2 LEU 42 -2.074 4.387 -1.151 310 2HD2 LEU 42 2HD2 LEU 42 -2.295 4.242 0.592 311 3HD2 LEU 42 3HD2 LEU 42 -0.742 3.831 -0.136 312 H GLY 43 H GLY 43 -4.867 0.305 -1.921 313 1HA GLY 43 1HA GLY 43 -5.562 -0.892 -4.422 314 2HA GLY 43 2HA GLY 43 -5.959 0.815 -4.397 315 H CYS 44 H CYS 44 -8.139 -0.170 -4.755 316 HA CYS 44 HA CYS 44 -9.419 -0.742 -2.159 317 1HB CYS 44 1HB CYS 44 -10.152 1.384 -3.075 318 2HB CYS 44 2HB CYS 44 -10.536 0.626 -4.617 319 H ALA 45 H ALA 45 -11.277 -2.205 -2.209 320 HA ALA 45 HA ALA 45 -11.801 -3.780 -4.540 321 1HB ALA 45 1HB ALA 45 -9.965 -5.083 -4.242 322 2HB ALA 45 2HB ALA 45 -9.884 -4.768 -2.509 323 3HB ALA 45 3HB ALA 45 -11.061 -5.920 -3.141 324 H ALA 46 H ALA 46 -13.372 -5.515 -4.118 325 HA ALA 46 HA ALA 46 -15.089 -4.814 -1.836 326 1HB ALA 46 1HB ALA 46 -16.150 -6.416 -4.094 327 2HB ALA 46 2HB ALA 46 -16.931 -5.169 -3.122 328 3HB ALA 46 3HB ALA 46 -15.793 -4.716 -4.392 329 H THR 47 H THR 47 -13.017 -7.222 -2.957 330 HA THR 47 HA THR 47 -14.211 -9.163 -1.095 331 HB THR 47 HB THR 47 -14.705 -10.149 -3.154 332 HG1 THR 47 HG1 THR 47 -12.116 -11.176 -2.669 333 1HG2 THR 47 1HG2 THR 47 -12.016 -9.225 -4.121 334 2HG2 THR 47 2HG2 THR 47 -13.018 -10.392 -4.985 335 3HG2 THR 47 3HG2 THR 47 -13.607 -8.751 -4.717 336 H CYS 48 H CYS 48 -12.566 -10.889 -0.471 337 HA CYS 48 HA CYS 48 -9.858 -9.773 -0.323 338 1HB CYS 48 1HB CYS 48 -11.178 -9.322 1.773 339 2HB CYS 48 2HB CYS 48 -11.211 -11.061 2.013 340 HA PRO 49 HA PRO 49 -9.539 -14.141 -1.680 341 1HB PRO 49 1HB PRO 49 -7.336 -13.785 -3.207 342 2HB PRO 49 2HB PRO 49 -8.964 -13.417 -3.787 343 1HG PRO 49 1HG PRO 49 -6.868 -11.566 -2.719 344 2HG PRO 49 2HG PRO 49 -7.942 -11.355 -4.115 345 1HD PRO 49 1HD PRO 49 -8.411 -10.201 -1.699 346 2HD PRO 49 2HD PRO 49 -9.710 -10.676 -2.811 347 H SER 50 H SER 50 -7.782 -15.716 -1.416 348 HA SER 50 HA SER 50 -6.435 -15.351 1.074 349 1HB SER 50 1HB SER 50 -5.349 -17.627 -0.144 350 2HB SER 50 2HB SER 50 -6.684 -17.581 1.006 351 HG SER 50 HG SER 50 -6.712 -18.116 -1.657 352 H LYS 51 H LYS 51 -4.273 -15.084 1.502 353 HA LYS 51 HA LYS 51 -2.343 -15.002 -0.638 354 1HB LYS 51 1HB LYS 51 -3.619 -12.615 0.310 355 2HB LYS 51 2HB LYS 51 -1.888 -12.550 0.587 356 1HG LYS 51 1HG LYS 51 -1.863 -11.731 -1.503 357 2HG LYS 51 2HG LYS 51 -1.921 -13.438 -1.947 358 1HD LYS 51 1HD LYS 51 -3.714 -12.838 -3.161 359 2HD LYS 51 2HD LYS 51 -4.563 -12.876 -1.615 360 1HE LYS 51 1HE LYS 51 -3.174 -10.402 -2.590 361 2HE LYS 51 2HE LYS 51 -4.823 -10.788 -3.078 362 1HZ LYS 51 1HZ LYS 51 -5.386 -10.908 -0.680 363 2HZ LYS 51 2HZ LYS 51 -3.836 -10.338 -0.317 364 3HZ LYS 51 3HZ LYS 51 -4.912 -9.367 -1.189 365 H LYS 52 H LYS 52 -0.236 -13.815 0.479 366 HA LYS 52 HA LYS 52 0.295 -15.505 2.801 367 1HB LYS 52 1HB LYS 52 2.094 -13.999 0.906 368 2HB LYS 52 2HB LYS 52 2.693 -14.773 2.367 369 1HG LYS 52 1HG LYS 52 1.566 -16.897 1.429 370 2HG LYS 52 2HG LYS 52 1.571 -16.023 -0.105 371 1HD LYS 52 1HD LYS 52 4.128 -15.634 0.809 372 2HD LYS 52 2HD LYS 52 3.775 -17.275 1.352 373 1HE LYS 52 1HE LYS 52 4.327 -17.932 -0.707 374 2HE LYS 52 2HE LYS 52 2.799 -17.226 -1.230 375 1HZ LYS 52 1HZ LYS 52 5.143 -15.480 -1.004 376 2HZ LYS 52 2HZ LYS 52 5.047 -16.527 -2.329 377 3HZ LYS 52 3HZ LYS 52 3.828 -15.384 -2.063 378 HA PRO 53 HA PRO 53 0.029 -11.885 5.392 379 1HB PRO 53 1HB PRO 53 0.658 -13.026 7.734 380 2HB PRO 53 2HB PRO 53 -0.876 -13.365 6.924 381 1HG PRO 53 1HG PRO 53 1.629 -15.000 7.000 382 2HG PRO 53 2HG PRO 53 -0.057 -15.528 7.149 383 1HD PRO 53 1HD PRO 53 1.406 -15.692 4.831 384 2HD PRO 53 2HD PRO 53 -0.364 -15.583 4.882 385 H TYR 54 H TYR 54 2.261 -11.680 3.898 386 HA TYR 54 HA TYR 54 4.069 -10.352 5.556 387 1HB TYR 54 1HB TYR 54 4.504 -13.145 5.459 388 2HB TYR 54 2HB TYR 54 5.827 -12.350 4.623 389 HD1 TYR 54 HD1 TYR 54 6.918 -10.339 5.890 390 HD2 TYR 54 HD2 TYR 54 4.588 -13.364 7.766 391 HE1 TYR 54 HE1 TYR 54 7.959 -9.793 8.050 392 HE2 TYR 54 HE2 TYR 54 5.621 -12.826 9.932 393 HH TYR 54 HH TYR 54 8.335 -11.304 10.346 394 H GLU 55 H GLU 55 4.046 -12.312 2.598 395 HA GLU 55 HA GLU 55 5.234 -10.015 1.187 396 1HB GLU 55 1HB GLU 55 6.342 -12.513 1.461 397 2HB GLU 55 2HB GLU 55 5.545 -12.631 -0.102 398 1HG GLU 55 1HG GLU 55 6.812 -10.878 -1.003 399 2HG GLU 55 2HG GLU 55 7.360 -10.349 0.587 400 H GLU 56 H GLU 56 2.591 -9.882 1.373 401 HA GLU 56 HA GLU 56 1.733 -10.156 -1.345 402 1HB GLU 56 1HB GLU 56 1.016 -12.166 0.597 403 2HB GLU 56 2HB GLU 56 -0.406 -11.334 -0.004 404 1HG GLU 56 1HG GLU 56 1.655 -12.818 -1.603 405 2HG GLU 56 2HG GLU 56 -0.039 -13.243 -1.374 406 H VAL 57 H VAL 57 -0.954 -9.765 -1.078 407 HA VAL 57 HA VAL 57 -1.015 -7.133 0.192 408 HB VAL 57 HB VAL 57 -3.255 -8.030 -1.485 409 1HG1 VAL 57 1HG1 VAL 57 -2.831 -5.752 -0.257 410 2HG1 VAL 57 2HG1 VAL 57 -1.901 -5.402 -1.714 411 3HG1 VAL 57 3HG1 VAL 57 -3.613 -5.805 -1.837 412 1HG2 VAL 57 1HG2 VAL 57 -0.492 -7.563 -2.495 413 2HG2 VAL 57 2HG2 VAL 57 -1.689 -8.749 -3.014 414 3HG2 VAL 57 3HG2 VAL 57 -1.872 -7.054 -3.468 415 H THR 58 H THR 58 -2.540 -6.488 1.617 416 HA THR 58 HA THR 58 -4.255 -8.601 2.735 417 HB THR 58 HB THR 58 -3.128 -8.214 4.639 418 HG1 THR 58 HG1 THR 58 -4.504 -7.098 5.722 419 1HG2 THR 58 1HG2 THR 58 -2.160 -5.666 3.401 420 2HG2 THR 58 2HG2 THR 58 -1.847 -6.071 5.089 421 3HG2 THR 58 3HG2 THR 58 -1.242 -7.116 3.804 422 H CYS 59 H CYS 59 -6.379 -8.102 3.165 423 HA CYS 59 HA CYS 59 -7.295 -5.542 2.051 424 1HB CYS 59 1HB CYS 59 -9.459 -7.385 2.277 425 2HB CYS 59 2HB CYS 59 -8.741 -6.709 0.829 426 H CYS 60 H CYS 60 -8.617 -4.222 3.230 427 HA CYS 60 HA CYS 60 -9.417 -5.182 5.900 428 1HB CYS 60 1HB CYS 60 -9.114 -2.695 6.563 429 2HB CYS 60 2HB CYS 60 -7.684 -3.711 6.421 430 H SER 61 H SER 61 -11.320 -4.214 6.798 431 HA SER 61 HA SER 61 -13.146 -3.198 4.724 432 1HB SER 61 1HB SER 61 -14.948 -4.266 5.842 433 2HB SER 61 2HB SER 61 -13.637 -5.446 5.822 434 HG SER 61 HG SER 61 -13.963 -5.501 7.897 435 H THR 62 H THR 62 -11.730 -1.198 5.638 436 HA THR 62 HA THR 62 -13.643 0.341 7.169 437 HB THR 62 HB THR 62 -10.895 0.618 8.226 438 HG1 THR 62 HG1 THR 62 -10.826 -1.248 9.240 439 1HG2 THR 62 1HG2 THR 62 -13.649 0.958 9.171 440 2HG2 THR 62 2HG2 THR 62 -12.509 0.332 10.362 441 3HG2 THR 62 3HG2 THR 62 -12.189 1.868 9.557 442 H ASP 63 H ASP 63 -12.880 2.677 7.357 443 HA ASP 63 HA ASP 63 -11.962 3.503 4.755 444 1HB ASP 63 1HB ASP 63 -13.724 4.614 6.396 445 2HB ASP 63 2HB ASP 63 -12.301 5.471 6.968 446 H LYS 64 H LYS 64 -10.148 4.735 4.304 447 HA LYS 64 HA LYS 64 -7.858 4.989 4.353 448 1HB LYS 64 1HB LYS 64 -8.138 5.996 7.156 449 2HB LYS 64 2HB LYS 64 -7.213 6.669 5.824 450 1HG LYS 64 1HG LYS 64 -10.213 6.727 6.030 451 2HG LYS 64 2HG LYS 64 -9.139 8.056 6.470 452 1HD LYS 64 1HD LYS 64 -8.472 7.149 3.843 453 2HD LYS 64 2HD LYS 64 -10.211 7.439 3.925 454 1HE LYS 64 1HE LYS 64 -9.007 9.447 3.230 455 2HE LYS 64 2HE LYS 64 -9.808 9.684 4.783 456 1HZ LYS 64 1HZ LYS 64 -7.392 8.830 5.552 457 2HZ LYS 64 2HZ LYS 64 -6.986 9.671 4.141 458 3HZ LYS 64 3HZ LYS 64 -7.810 10.460 5.391 459 H CYS 65 H CYS 65 -8.618 2.393 5.095 460 HA CYS 65 HA CYS 65 -7.074 1.648 7.427 461 1HB CYS 65 1HB CYS 65 -8.041 -0.544 7.115 462 2HB CYS 65 2HB CYS 65 -9.301 0.673 7.003 463 H ASN 66 H ASN 66 -6.470 1.921 4.076 464 HA ASN 66 HA ASN 66 -4.263 0.007 4.294 465 1HB ASN 66 1HB ASN 66 -4.403 -0.240 1.889 466 2HB ASN 66 2HB ASN 66 -5.953 -0.593 2.632 467 2HD2 ASN 66 2HD2 ASN 66 -4.557 0.837 0.104 468 1HD2 ASN 66 1HD2 ASN 66 -5.739 2.038 -0.277 469 HA PRO 67 HA PRO 67 -2.375 4.189 3.334 470 1HB PRO 67 1HB PRO 67 -1.836 5.267 5.687 471 2HB PRO 67 2HB PRO 67 -3.492 5.301 5.065 472 1HG PRO 67 1HG PRO 67 -2.278 3.507 7.128 473 2HG PRO 67 2HG PRO 67 -3.879 4.267 7.108 474 1HD PRO 67 1HD PRO 67 -3.309 1.641 6.326 475 2HD PRO 67 2HD PRO 67 -4.779 2.548 5.935 476 H HIS 68 H HIS 68 -0.144 4.924 3.762 477 HA HIS 68 HA HIS 68 1.672 2.725 3.933 478 1HB HIS 68 1HB HIS 68 1.893 4.930 2.583 479 2HB HIS 68 2HB HIS 68 2.495 5.614 4.087 480 HD1 HIS 68 HD1 HIS 68 4.825 4.858 4.882 481 HD2 HIS 68 HD2 HIS 68 3.629 3.134 1.300 482 HE1 HIS 68 HE1 HIS 68 6.896 3.811 3.919 483 HE2 HIS 68 HE2 HIS 68 6.176 2.908 1.681 484 HA PRO 69 HA PRO 69 1.907 2.788 8.420 485 1HB PRO 69 1HB PRO 69 4.061 1.087 8.604 486 2HB PRO 69 2HB PRO 69 2.385 0.559 8.421 487 1HG PRO 69 1HG PRO 69 4.520 0.846 6.346 488 2HG PRO 69 2HG PRO 69 3.314 -0.440 6.544 489 1HD PRO 69 1HD PRO 69 3.017 1.495 4.708 490 2HD PRO 69 2HD PRO 69 1.625 0.824 5.584 491 H LYS 70 H LYS 70 4.517 3.535 6.226 492 HA LYS 70 HA LYS 70 6.006 4.841 8.395 493 1HB LYS 70 1HB LYS 70 6.806 3.313 6.134 494 2HB LYS 70 2HB LYS 70 7.412 4.948 5.908 495 1HG LYS 70 1HG LYS 70 7.848 3.338 8.411 496 2HG LYS 70 2HG LYS 70 8.982 3.391 7.060 497 1HD LYS 70 1HD LYS 70 9.187 5.816 7.331 498 2HD LYS 70 2HD LYS 70 8.054 5.761 8.683 499 1HE LYS 70 1HE LYS 70 10.529 5.831 9.260 500 2HE LYS 70 2HE LYS 70 9.563 4.580 10.041 501 1HZ LYS 70 1HZ LYS 70 10.884 3.906 7.521 502 2HZ LYS 70 2HZ LYS 70 11.855 4.045 8.899 503 3HZ LYS 70 3HZ LYS 70 10.576 2.936 8.871 504 H GLN 71 H GLN 71 3.552 5.915 7.075 505 HA GLN 71 HA GLN 71 4.373 8.060 5.382 506 1HB GLN 71 1HB GLN 71 2.192 7.792 4.909 507 2HB GLN 71 2HB GLN 71 1.877 6.987 6.437 508 1HG GLN 71 1HG GLN 71 1.525 9.050 7.549 509 2HG GLN 71 2HG GLN 71 2.115 9.968 6.165 510 2HE2 GLN 71 2HE2 GLN 71 0.845 9.024 4.063 511 1HE2 GLN 71 1HE2 GLN 71 -0.869 9.163 4.224 512 H ARG 72 H ARG 72 5.215 9.949 5.938 513 HA ARG 72 HA ARG 72 5.378 10.664 8.752 514 1HB ARG 72 1HB ARG 72 7.416 10.774 7.416 515 2HB ARG 72 2HB ARG 72 6.651 11.899 6.303 516 1HG ARG 72 1HG ARG 72 7.566 13.511 7.526 517 2HG ARG 72 2HG ARG 72 6.349 13.132 8.746 518 1HD ARG 72 1HD ARG 72 9.047 11.801 8.583 519 2HD ARG 72 2HD ARG 72 8.700 13.200 9.599 520 HE ARG 72 HE ARG 72 6.912 10.996 10.036 521 1HH1 ARG 72 1HH1 ARG 72 10.005 12.369 10.884 522 2HH1 ARG 72 2HH1 ARG 72 10.081 11.570 12.418 523 1HH2 ARG 72 1HH2 ARG 72 7.007 9.943 12.053 524 2HH2 ARG 72 2HH2 ARG 72 8.379 10.189 13.082 525 HA PRO 73 HA PRO 73 2.007 13.552 8.375 526 1HB PRO 73 1HB PRO 73 2.355 14.871 10.715 527 2HB PRO 73 2HB PRO 73 1.680 13.240 10.631 528 1HG PRO 73 1HG PRO 73 4.471 14.103 11.283 529 2HG PRO 73 2HG PRO 73 3.470 12.866 12.066 530 1HD PRO 73 1HD PRO 73 5.407 12.262 10.267 531 2HD PRO 73 2HD PRO 73 3.934 11.290 10.452 532 H GLY 74 H GLY 74 1.772 16.056 8.952 533 1HA GLY 74 1HA GLY 74 4.159 17.603 8.438 534 2HA GLY 74 2HA GLY 74 2.536 18.233 8.673 535 H1 TRP 75 H1 TRP 75 3.990 3.641 -10.695 536 H2 TRP 75 H2 TRP 75 5.285 3.292 -11.766 537 H3 TRP 75 H3 TRP 75 4.457 2.015 -10.971 538 HA TRP 75 HA TRP 75 6.471 2.297 -9.880 539 1HB TRP 75 1HB TRP 75 6.936 4.626 -8.883 540 2HB TRP 75 2HB TRP 75 7.195 4.413 -10.610 541 HD1 TRP 75 HD1 TRP 75 4.107 5.463 -8.480 542 HE1 TRP 75 HE1 TRP 75 3.053 7.524 -9.609 543 HE3 TRP 75 HE3 TRP 75 7.326 5.973 -12.420 544 HZ2 TRP 75 HZ2 TRP 75 3.522 9.148 -11.868 545 HZ3 TRP 75 HZ3 TRP 75 6.953 7.806 -14.019 546 HH2 TRP 75 HH2 TRP 75 5.089 9.359 -13.748 547 H ARG 76 H ARG 76 6.763 2.481 -7.525 548 HA ARG 76 HA ARG 76 4.316 2.975 -6.002 549 1HB ARG 76 1HB ARG 76 5.396 0.621 -4.884 550 2HB ARG 76 2HB ARG 76 3.851 0.812 -5.697 551 1HG ARG 76 1HG ARG 76 4.642 -0.030 -7.692 552 2HG ARG 76 2HG ARG 76 6.320 0.360 -7.311 553 1HD ARG 76 1HD ARG 76 5.132 -1.517 -5.430 554 2HD ARG 76 2HD ARG 76 5.137 -2.114 -7.087 555 HE ARG 76 HE ARG 76 7.576 -1.143 -5.743 556 1HH1 ARG 76 1HH1 ARG 76 5.906 -3.525 -7.692 557 2HH1 ARG 76 2HH1 ARG 76 7.330 -4.462 -7.978 558 1HH2 ARG 76 1HH2 ARG 76 9.440 -2.390 -6.127 559 2HH2 ARG 76 2HH2 ARG 76 9.329 -3.824 -7.090 560 H TYR 77 H TYR 77 5.095 2.132 -3.522 561 HA TYR 77 HA TYR 77 7.644 3.574 -3.111 562 1HB TYR 77 1HB TYR 77 5.473 3.584 -1.048 563 2HB TYR 77 2HB TYR 77 6.810 4.703 -1.252 564 HD1 TYR 77 HD1 TYR 77 6.758 6.233 -3.315 565 HD2 TYR 77 HD2 TYR 77 3.353 4.128 -1.886 566 HE1 TYR 77 HE1 TYR 77 5.297 7.796 -4.525 567 HE2 TYR 77 HE2 TYR 77 1.880 5.687 -3.093 568 HH TYR 77 HH TYR 77 1.945 7.221 -4.945 569 H TYR 78 H TYR 78 8.965 2.825 -1.411 570 HA TYR 78 HA TYR 78 8.438 0.061 -0.650 571 1HB TYR 78 1HB TYR 78 10.949 1.733 -0.550 572 2HB TYR 78 2HB TYR 78 10.855 0.105 0.090 573 HD1 TYR 78 HD1 TYR 78 12.903 0.277 -1.708 574 HD2 TYR 78 HD2 TYR 78 8.763 0.029 -2.656 575 HE1 TYR 78 HE1 TYR 78 13.469 -0.658 -3.907 576 HE2 TYR 78 HE2 TYR 78 9.320 -0.899 -4.860 577 HH TYR 78 HH TYR 78 11.245 -0.895 -6.430 578 H GLU 79 H GLU 79 9.105 -0.547 1.602 579 HA GLU 79 HA GLU 79 7.576 0.918 3.459 580 1HB GLU 79 1HB GLU 79 7.980 -1.474 3.716 581 2HB GLU 79 2HB GLU 79 9.698 -1.186 3.943 582 1HG GLU 79 1HG GLU 79 9.317 -1.114 6.119 583 2HG GLU 79 2HG GLU 79 8.451 0.399 5.858 584 H SER 80 H SER 80 10.941 1.018 2.583 585 HA SER 80 HA SER 80 12.107 2.219 4.774 586 1HB SER 80 1HB SER 80 13.465 3.432 2.783 587 2HB SER 80 2HB SER 80 13.716 1.747 3.239 588 HG SER 80 HG SER 80 12.752 2.769 0.932 589 H SER 81 H SER 81 11.453 4.180 1.886 590 HA SER 81 HA SER 81 10.571 6.343 3.671 591 1HB SER 81 1HB SER 81 12.598 6.273 1.650 592 2HB SER 81 2HB SER 81 11.399 7.503 1.277 593 HG SER 81 HG SER 81 11.705 8.132 3.576 594 H LEU 82 H LEU 82 9.252 8.046 2.506 595 HA LEU 82 HA LEU 82 7.034 6.721 1.191 596 1HB LEU 82 1HB LEU 82 7.498 9.301 2.559 597 2HB LEU 82 2HB LEU 82 6.315 9.326 1.266 598 HG LEU 82 HG LEU 82 5.494 8.930 3.664 599 1HD1 LEU 82 1HD1 LEU 82 4.730 7.524 1.179 600 2HD1 LEU 82 2HD1 LEU 82 3.997 6.955 2.679 601 3HD1 LEU 82 3HD1 LEU 82 3.805 8.638 2.187 602 1HD2 LEU 82 1HD2 LEU 82 6.543 6.175 3.032 603 2HD2 LEU 82 2HD2 LEU 82 7.136 7.251 4.299 604 3HD2 LEU 82 3HD2 LEU 82 5.501 6.597 4.391 605 H GLU 83 H GLU 83 9.851 7.764 0.025 606 HA GLU 83 HA GLU 83 9.089 9.491 -2.090 607 1HB GLU 83 1HB GLU 83 11.522 7.894 -1.418 608 2HB GLU 83 2HB GLU 83 11.358 8.536 -3.046 609 1HG GLU 83 1HG GLU 83 11.821 10.619 -2.399 610 2HG GLU 83 2HG GLU 83 10.808 10.499 -0.962 611 HA PRO 84 HA PRO 84 7.517 6.599 -5.033 612 1HB PRO 84 1HB PRO 84 8.562 8.151 -7.256 613 2HB PRO 84 2HB PRO 84 6.898 8.034 -6.679 614 1HG PRO 84 1HG PRO 84 8.400 10.299 -6.468 615 2HG PRO 84 2HG PRO 84 7.094 9.884 -5.344 616 1HD PRO 84 1HD PRO 84 10.054 9.557 -5.013 617 2HD PRO 84 2HD PRO 84 8.843 10.100 -3.836 618 H TYR 85 H TYR 85 8.203 4.779 -5.960 619 HA TYR 85 HA TYR 85 11.048 4.614 -6.694 620 1HB TYR 85 1HB TYR 85 9.259 2.760 -5.180 621 2HB TYR 85 2HB TYR 85 10.601 2.095 -6.103 622 HD1 TYR 85 HD1 TYR 85 12.391 1.576 -4.737 623 HD2 TYR 85 HD2 TYR 85 10.165 5.113 -3.904 624 HE1 TYR 85 HE1 TYR 85 13.915 2.092 -2.880 625 HE2 TYR 85 HE2 TYR 85 11.688 5.633 -2.043 626 HH TYR 85 HH TYR 85 13.911 5.130 -1.287 627 HA PRO 86 HA PRO 86 8.806 3.464 -10.514 628 1HB PRO 86 1HB PRO 86 10.204 4.975 -12.215 629 2HB PRO 86 2HB PRO 86 8.963 5.685 -11.175 630 1HG PRO 86 1HG PRO 86 11.935 5.712 -10.870 631 2HG PRO 86 2HG PRO 86 10.764 7.004 -10.555 632 1HD PRO 86 1HD PRO 86 11.874 5.347 -8.624 633 2HD PRO 86 2HD PRO 86 10.373 6.273 -8.433 634 H ASP 87 H ASP 87 9.550 2.343 -12.435 635 HA ASP 87 HA ASP 87 12.242 1.181 -12.141 636 1HB ASP 87 1HB ASP 87 11.209 -0.922 -13.146 637 2HB ASP 87 2HB ASP 87 10.765 -0.551 -11.483 No H/Q in entry = 637 Start of MODEL 3 1 H1 ILE 1 H1 ILE 1 -16.997 5.802 -0.272 2 H2 ILE 1 H2 ILE 1 -16.980 4.105 -0.513 3 H3 ILE 1 H3 ILE 1 -17.874 4.777 0.789 4 HA ILE 1 HA ILE 1 -16.022 5.321 1.970 5 HB ILE 1 HB ILE 1 -16.452 2.916 1.924 6 1HG1 ILE 1 1HG1 ILE 1 -13.509 3.551 1.995 7 2HG1 ILE 1 2HG1 ILE 1 -14.635 3.861 3.309 8 1HG2 ILE 1 1HG2 ILE 1 -15.019 3.090 -0.596 9 2HG2 ILE 1 2HG2 ILE 1 -14.443 1.786 0.443 10 3HG2 ILE 1 3HG2 ILE 1 -16.145 1.864 -0.014 11 1HD1 ILE 1 1HD1 ILE 1 -15.109 1.288 3.059 12 2HD1 ILE 1 2HD1 ILE 1 -13.495 1.297 2.348 13 3HD1 ILE 1 3HD1 ILE 1 -13.738 1.886 3.992 14 H VAL 2 H VAL 2 -13.705 5.510 2.164 15 HA VAL 2 HA VAL 2 -12.387 6.095 -0.392 16 HB VAL 2 HB VAL 2 -12.066 7.757 2.111 17 1HG1 VAL 2 1HG1 VAL 2 -10.358 7.492 -0.013 18 2HG1 VAL 2 2HG1 VAL 2 -11.316 8.900 -0.470 19 3HG1 VAL 2 3HG1 VAL 2 -10.445 8.886 1.061 20 1HG2 VAL 2 1HG2 VAL 2 -13.971 7.943 -0.141 21 2HG2 VAL 2 2HG2 VAL 2 -14.131 8.484 1.530 22 3HG2 VAL 2 3HG2 VAL 2 -13.210 9.448 0.375 23 H CYS 3 H CYS 3 -10.250 5.551 -0.555 24 HA CYS 3 HA CYS 3 -8.846 4.572 1.818 25 1HB CYS 3 1HB CYS 3 -9.027 2.943 -0.729 26 2HB CYS 3 2HB CYS 3 -8.209 2.483 0.757 27 H HIS 4 H HIS 4 -6.539 4.208 1.406 28 HA HIS 4 HA HIS 4 -5.510 6.321 -0.282 29 1HB HIS 4 1HB HIS 4 -3.886 4.411 1.391 30 2HB HIS 4 2HB HIS 4 -3.438 6.019 0.848 31 HD1 HIS 4 HD1 HIS 4 -4.747 8.027 2.023 32 HD2 HIS 4 HD2 HIS 4 -5.168 4.306 3.832 33 HE1 HIS 4 HE1 HIS 4 -5.651 8.484 4.319 34 HE2 HIS 4 HE2 HIS 4 -5.713 6.240 5.454 35 H THR 5 H THR 5 -4.006 6.018 -1.985 36 HA THR 5 HA THR 5 -3.718 3.265 -2.953 37 HB THR 5 HB THR 5 -5.603 4.849 -4.025 38 HG1 THR 5 HG1 THR 5 -3.942 3.079 -5.490 39 1HG2 THR 5 1HG2 THR 5 -4.006 6.551 -4.802 40 2HG2 THR 5 2HG2 THR 5 -3.211 5.324 -5.790 41 3HG2 THR 5 3HG2 THR 5 -4.883 5.781 -6.125 42 H THR 6 H THR 6 -2.104 3.008 -4.632 43 HA THR 6 HA THR 6 0.095 4.952 -4.379 44 HB THR 6 HB THR 6 1.561 2.934 -4.887 45 HG1 THR 6 HG1 THR 6 -0.739 1.496 -4.088 46 1HG2 THR 6 1HG2 THR 6 0.715 3.878 -2.477 47 2HG2 THR 6 2HG2 THR 6 0.304 2.166 -2.375 48 3HG2 THR 6 3HG2 THR 6 1.962 2.654 -2.715 49 H ALA 7 H ALA 7 -2.038 3.361 -6.525 50 HA ALA 7 HA ALA 7 -0.696 2.990 -8.862 51 1HB ALA 7 1HB ALA 7 -2.721 2.883 -9.848 52 2HB ALA 7 2HB ALA 7 -3.253 4.422 -9.171 53 3HB ALA 7 3HB ALA 7 -3.294 2.962 -8.182 54 H THR 8 H THR 8 -1.811 6.081 -7.576 55 HA THR 8 HA THR 8 -1.034 7.617 -9.850 56 HB THR 8 HB THR 8 -1.925 9.388 -8.747 57 HG1 THR 8 HG1 THR 8 -1.037 8.684 -6.187 58 1HG2 THR 8 1HG2 THR 8 -3.336 7.273 -8.034 59 2HG2 THR 8 2HG2 THR 8 -2.765 7.745 -6.430 60 3HG2 THR 8 3HG2 THR 8 -3.688 8.886 -7.412 61 H SER 9 H SER 9 0.589 9.612 -9.264 62 HA SER 9 HA SER 9 3.141 8.368 -9.021 63 1HB SER 9 1HB SER 9 2.210 10.834 -9.967 64 2HB SER 9 2HB SER 9 3.279 11.228 -8.623 65 HG SER 9 HG SER 9 3.850 9.891 -11.027 66 HA PRO 10 HA PRO 10 3.207 10.113 -4.638 67 1HB PRO 10 1HB PRO 10 1.454 12.158 -4.024 68 2HB PRO 10 2HB PRO 10 3.090 12.385 -4.630 69 1HG PRO 10 1HG PRO 10 0.656 13.042 -5.951 70 2HG PRO 10 2HG PRO 10 2.294 13.139 -6.615 71 1HD PRO 10 1HD PRO 10 0.244 11.005 -6.930 72 2HD PRO 10 2HD PRO 10 1.517 11.522 -8.050 73 H ILE 11 H ILE 11 2.167 9.444 -2.692 74 HA ILE 11 HA ILE 11 -0.091 7.775 -3.078 75 HB ILE 11 HB ILE 11 0.785 8.810 -0.395 76 1HG1 ILE 11 1HG1 ILE 11 1.896 6.482 -1.968 77 2HG1 ILE 11 2HG1 ILE 11 2.758 7.969 -1.588 78 1HG2 ILE 11 1HG2 ILE 11 -1.319 7.595 -0.435 79 2HG2 ILE 11 2HG2 ILE 11 -0.532 6.240 -1.246 80 3HG2 ILE 11 3HG2 ILE 11 -0.075 6.667 0.403 81 1HD1 ILE 11 1HD1 ILE 11 1.674 6.250 0.599 82 2HD1 ILE 11 2HD1 ILE 11 3.204 5.857 -0.185 83 3HD1 ILE 11 3HD1 ILE 11 3.007 7.403 0.638 84 H SER 12 H SER 12 -2.171 7.952 -2.348 85 HA SER 12 HA SER 12 -3.216 10.307 -1.125 86 1HB SER 12 1HB SER 12 -4.659 10.937 -3.148 87 2HB SER 12 2HB SER 12 -2.961 11.408 -3.203 88 HG SER 12 HG SER 12 -3.989 9.037 -4.373 89 H ALA 13 H ALA 13 -5.781 10.315 -1.610 90 HA ALA 13 HA ALA 13 -6.762 7.562 -1.704 91 1HB ALA 13 1HB ALA 13 -7.529 9.406 0.549 92 2HB ALA 13 2HB ALA 13 -7.938 7.701 0.359 93 3HB ALA 13 3HB ALA 13 -6.271 8.177 0.681 94 H VAL 14 H VAL 14 -8.971 7.364 -2.222 95 HA VAL 14 HA VAL 14 -10.481 9.796 -2.771 96 HB VAL 14 HB VAL 14 -9.070 8.946 -4.838 97 1HG1 VAL 14 1HG1 VAL 14 -10.280 6.646 -4.497 98 2HG1 VAL 14 2HG1 VAL 14 -11.567 7.428 -5.417 99 3HG1 VAL 14 3HG1 VAL 14 -9.957 7.256 -6.122 100 1HG2 VAL 14 1HG2 VAL 14 -11.217 10.601 -4.492 101 2HG2 VAL 14 2HG2 VAL 14 -10.308 10.407 -5.991 102 3HG2 VAL 14 3HG2 VAL 14 -11.790 9.486 -5.732 103 H THR 15 H THR 15 -12.604 8.985 -3.993 104 HA THR 15 HA THR 15 -13.838 7.092 -2.168 105 HB THR 15 HB THR 15 -15.591 8.145 -4.216 106 HG1 THR 15 HG1 THR 15 -14.940 10.117 -4.316 107 1HG2 THR 15 1HG2 THR 15 -15.469 8.635 -1.254 108 2HG2 THR 15 2HG2 THR 15 -16.802 9.082 -2.318 109 3HG2 THR 15 3HG2 THR 15 -16.405 7.381 -2.068 110 H CYS 16 H CYS 16 -13.380 5.038 -2.778 111 HA CYS 16 HA CYS 16 -13.023 4.147 -5.410 112 1HB CYS 16 1HB CYS 16 -14.121 2.181 -3.479 113 2HB CYS 16 2HB CYS 16 -12.733 2.054 -4.545 114 HA PRO 17 HA PRO 17 -17.209 4.121 -6.901 115 1HB PRO 17 1HB PRO 17 -16.857 2.414 -8.998 116 2HB PRO 17 2HB PRO 17 -16.365 4.110 -9.037 117 1HG PRO 17 1HG PRO 17 -14.714 1.667 -8.524 118 2HG PRO 17 2HG PRO 17 -14.331 3.092 -9.508 119 1HD PRO 17 1HD PRO 17 -13.346 2.758 -7.018 120 2HD PRO 17 2HD PRO 17 -13.747 4.361 -7.668 121 HA PRO 18 HA PRO 18 -19.567 0.618 -5.580 122 1HB PRO 18 1HB PRO 18 -19.930 -0.220 -8.431 123 2HB PRO 18 2HB PRO 18 -21.132 -0.071 -7.143 124 1HG PRO 18 1HG PRO 18 -20.928 1.802 -9.021 125 2HG PRO 18 2HG PRO 18 -21.243 2.239 -7.331 126 1HD PRO 18 1HD PRO 18 -18.749 2.514 -8.925 127 2HD PRO 18 2HD PRO 18 -19.354 3.516 -7.592 128 H GLY 19 H GLY 19 -17.077 0.105 -7.982 129 1HA GLY 19 1HA GLY 19 -15.538 -1.563 -8.267 130 2HA GLY 19 2HA GLY 19 -16.847 -2.673 -7.898 131 H GLU 20 H GLU 20 -15.063 -0.258 -5.931 132 HA GLU 20 HA GLU 20 -14.391 -2.467 -4.093 133 1HB GLU 20 1HB GLU 20 -12.878 0.112 -4.249 134 2HB GLU 20 2HB GLU 20 -12.363 -1.424 -3.575 135 1HG GLU 20 1HG GLU 20 -11.245 -1.673 -5.482 136 2HG GLU 20 2HG GLU 20 -12.810 -2.090 -6.175 137 H ASN 21 H ASN 21 -14.748 -2.265 -1.988 138 HA ASN 21 HA ASN 21 -16.021 0.197 -1.028 139 1HB ASN 21 1HB ASN 21 -17.116 -2.426 -1.173 140 2HB ASN 21 2HB ASN 21 -16.988 -1.945 0.508 141 2HD2 ASN 21 2HD2 ASN 21 -19.397 -2.299 -0.104 142 1HD2 ASN 21 1HD2 ASN 21 -20.248 -0.848 -0.467 143 H LEU 22 H LEU 22 -13.663 -2.234 -0.560 144 HA LEU 22 HA LEU 22 -13.140 -1.280 2.168 145 1HB LEU 22 1HB LEU 22 -12.334 -3.864 0.843 146 2HB LEU 22 2HB LEU 22 -11.943 -3.395 2.478 147 HG LEU 22 HG LEU 22 -14.786 -3.671 1.551 148 1HD1 LEU 22 1HD1 LEU 22 -13.085 -5.762 1.464 149 2HD1 LEU 22 2HD1 LEU 22 -13.608 -5.844 3.146 150 3HD1 LEU 22 3HD1 LEU 22 -14.800 -5.902 1.848 151 1HD2 LEU 22 1HD2 LEU 22 -13.423 -3.573 4.230 152 2HD2 LEU 22 2HD2 LEU 22 -14.616 -2.453 3.574 153 3HD2 LEU 22 3HD2 LEU 22 -15.095 -4.092 4.017 154 H CYS 23 H CYS 23 -10.724 -1.605 2.737 155 HA CYS 23 HA CYS 23 -9.092 -0.478 0.553 156 1HB CYS 23 1HB CYS 23 -8.513 -0.108 3.482 157 2HB CYS 23 2HB CYS 23 -7.905 0.834 2.131 158 H TYR 24 H TYR 24 -6.833 -1.105 0.521 159 HA TYR 24 HA TYR 24 -6.201 -3.497 2.090 160 1HB TYR 24 1HB TYR 24 -5.621 -4.832 0.250 161 2HB TYR 24 2HB TYR 24 -7.157 -4.100 -0.193 162 HD1 TYR 24 HD1 TYR 24 -3.488 -3.870 -0.743 163 HD2 TYR 24 HD2 TYR 24 -7.358 -2.768 -2.128 164 HE1 TYR 24 HE1 TYR 24 -2.496 -3.029 -2.825 165 HE2 TYR 24 HE2 TYR 24 -6.373 -1.919 -4.215 166 HH TYR 24 HH TYR 24 -3.409 -2.673 -5.290 167 H ARG 25 H ARG 25 -4.005 -3.972 2.340 168 HA ARG 25 HA ARG 25 -2.050 -2.059 1.316 169 1HB ARG 25 1HB ARG 25 -3.078 -2.028 4.003 170 2HB ARG 25 2HB ARG 25 -1.372 -2.450 4.034 171 1HG ARG 25 1HG ARG 25 -2.149 -0.158 2.338 172 2HG ARG 25 2HG ARG 25 -2.251 0.061 4.084 173 1HD ARG 25 1HD ARG 25 0.176 -0.804 2.517 174 2HD ARG 25 2HD ARG 25 -0.075 0.764 3.283 175 HE ARG 25 HE ARG 25 0.851 -1.614 4.533 176 1HH1 ARG 25 1HH1 ARG 25 -1.057 1.253 5.098 177 2HH1 ARG 25 2HH1 ARG 25 -0.767 1.261 6.805 178 1HH2 ARG 25 1HH2 ARG 25 1.233 -1.603 6.779 179 2HH2 ARG 25 2HH2 ARG 25 0.535 -0.357 7.758 180 H LYS 26 H LYS 26 -0.772 -3.477 0.254 181 HA LYS 26 HA LYS 26 -0.072 -6.024 1.515 182 1HB LYS 26 1HB LYS 26 -0.823 -5.951 -0.856 183 2HB LYS 26 2HB LYS 26 0.612 -5.018 -1.249 184 1HG LYS 26 1HG LYS 26 1.892 -6.837 -1.331 185 2HG LYS 26 2HG LYS 26 1.223 -7.479 0.171 186 1HD LYS 26 1HD LYS 26 0.410 -9.064 -1.235 187 2HD LYS 26 2HD LYS 26 -0.877 -7.876 -1.439 188 1HE LYS 26 1HE LYS 26 0.453 -6.956 -3.380 189 2HE LYS 26 2HE LYS 26 1.478 -8.384 -3.243 190 1HZ LYS 26 1HZ LYS 26 -0.918 -9.519 -3.313 191 2HZ LYS 26 2HZ LYS 26 -1.242 -8.141 -4.239 192 3HZ LYS 26 3HZ LYS 26 -0.008 -9.201 -4.704 193 H MET 27 H MET 27 2.028 -6.632 1.997 194 HA MET 27 HA MET 27 4.187 -4.755 1.512 195 1HB MET 27 1HB MET 27 3.165 -5.413 4.253 196 2HB MET 27 2HB MET 27 4.814 -4.880 3.987 197 1HG MET 27 1HG MET 27 4.072 -2.784 3.117 198 2HG MET 27 2HG MET 27 2.393 -3.322 3.126 199 1HE MET 27 1HE MET 27 5.494 -2.347 5.245 200 2HE MET 27 2HE MET 27 4.892 -2.439 6.901 201 3HE MET 27 3HE MET 27 5.124 -3.914 5.964 202 H TRP 28 H TRP 28 6.137 -5.653 1.359 203 HA TRP 28 HA TRP 28 6.951 -8.053 2.638 204 1HB TRP 28 1HB TRP 28 7.038 -9.624 0.842 205 2HB TRP 28 2HB TRP 28 5.389 -9.021 0.901 206 HD1 TRP 28 HD1 TRP 28 5.800 -6.363 -0.710 207 HE1 TRP 28 HE1 TRP 28 6.239 -6.452 -3.249 208 HE3 TRP 28 HE3 TRP 28 7.528 -11.149 -1.073 209 HZ2 TRP 28 HZ2 TRP 28 7.193 -8.274 -5.136 210 HZ3 TRP 28 HZ3 TRP 28 8.189 -11.997 -3.289 211 HH2 TRP 28 HH2 TRP 28 8.023 -10.590 -5.281 212 H CYS 29 H CYS 29 9.122 -7.864 2.842 213 HA CYS 29 HA CYS 29 10.553 -5.776 1.994 214 1HB CYS 29 1HB CYS 29 11.696 -8.518 2.388 215 2HB CYS 29 2HB CYS 29 12.631 -7.062 2.223 216 H ASP 30 H ASP 30 10.783 -4.945 0.093 217 HA ASP 30 HA ASP 30 10.942 -6.482 -2.307 218 1HB ASP 30 1HB ASP 30 11.132 -4.453 -3.452 219 2HB ASP 30 2HB ASP 30 10.219 -3.994 -2.030 220 H ALA 31 H ALA 31 12.756 -7.026 -3.395 221 HA ALA 31 HA ALA 31 14.889 -8.071 -2.207 222 1HB ALA 31 1HB ALA 31 15.765 -8.407 -4.254 223 2HB ALA 31 2HB ALA 31 14.219 -7.743 -4.783 224 3HB ALA 31 3HB ALA 31 15.644 -6.707 -4.707 225 H PHE 32 H PHE 32 14.767 -6.115 -0.568 226 HA PHE 32 HA PHE 32 17.358 -5.111 -0.392 227 1HB PHE 32 1HB PHE 32 15.556 -3.520 -1.905 228 2HB PHE 32 2HB PHE 32 15.863 -2.708 -0.388 229 HD1 PHE 32 HD1 PHE 32 16.773 -2.402 -3.518 230 HD2 PHE 32 HD2 PHE 32 18.628 -3.367 0.186 231 HE1 PHE 32 HE1 PHE 32 18.927 -1.596 -4.393 232 HE2 PHE 32 HE2 PHE 32 20.787 -2.563 -0.679 233 HZ PHE 32 HZ PHE 32 20.938 -1.676 -2.973 234 H CYS 33 H CYS 33 15.158 -6.526 1.137 235 HA CYS 33 HA CYS 33 13.861 -5.188 3.057 236 1HB CYS 33 1HB CYS 33 14.186 -7.724 2.801 237 2HB CYS 33 2HB CYS 33 15.575 -7.524 3.857 238 H SER 34 H SER 34 17.329 -5.361 2.807 239 HA SER 34 HA SER 34 17.829 -4.295 5.431 240 1HB SER 34 1HB SER 34 19.654 -4.563 3.027 241 2HB SER 34 2HB SER 34 20.172 -4.119 4.654 242 HG SER 34 HG SER 34 18.850 -6.542 3.995 243 H SER 35 H SER 35 18.019 -3.019 2.100 244 HA SER 35 HA SER 35 18.287 -0.303 3.151 245 1HB SER 35 1HB SER 35 19.492 -1.510 1.022 246 2HB SER 35 2HB SER 35 18.164 -0.667 0.226 247 HG SER 35 HG SER 35 18.933 1.250 0.957 248 H ARG 36 H ARG 36 16.457 -1.537 0.343 249 HA ARG 36 HA ARG 36 14.429 0.422 0.658 250 1HB ARG 36 1HB ARG 36 14.094 -2.100 -0.948 251 2HB ARG 36 2HB ARG 36 13.366 -0.533 -1.216 252 1HG ARG 36 1HG ARG 36 16.325 -0.810 -1.385 253 2HG ARG 36 2HG ARG 36 15.312 -1.333 -2.731 254 1HD ARG 36 1HD ARG 36 14.506 0.816 -3.117 255 2HD ARG 36 2HD ARG 36 14.954 1.376 -1.506 256 HE ARG 36 HE ARG 36 17.058 1.843 -2.284 257 1HH1 ARG 36 1HH1 ARG 36 15.396 -0.149 -4.620 258 2HH1 ARG 36 2HH1 ARG 36 16.624 0.026 -5.828 259 1HH2 ARG 36 1HH2 ARG 36 18.673 2.074 -3.873 260 2HH2 ARG 36 2HH2 ARG 36 18.485 1.288 -5.405 261 H GLY 37 H GLY 37 13.699 -3.145 0.528 262 1HA GLY 37 1HA GLY 37 12.419 -2.701 3.149 263 2HA GLY 37 2HA GLY 37 12.890 -4.251 2.497 264 H LYS 38 H LYS 38 10.501 -3.903 3.661 265 HA LYS 38 HA LYS 38 8.785 -5.203 2.121 266 1HB LYS 38 1HB LYS 38 7.473 -3.172 3.787 267 2HB LYS 38 2HB LYS 38 7.185 -4.894 3.671 268 1HG LYS 38 1HG LYS 38 9.464 -5.121 4.862 269 2HG LYS 38 2HG LYS 38 9.213 -3.431 5.303 270 1HD LYS 38 1HD LYS 38 7.153 -3.970 6.417 271 2HD LYS 38 2HD LYS 38 7.227 -5.637 5.840 272 1HE LYS 38 1HE LYS 38 9.618 -5.417 7.099 273 2HE LYS 38 2HE LYS 38 8.627 -4.338 8.079 274 1HZ LYS 38 1HZ LYS 38 6.980 -6.300 8.072 275 2HZ LYS 38 2HZ LYS 38 8.319 -7.233 7.628 276 3HZ LYS 38 3HZ LYS 38 8.333 -6.376 9.086 277 H VAL 39 H VAL 39 8.303 -4.871 0.116 278 HA VAL 39 HA VAL 39 7.931 -2.440 -1.209 279 HB VAL 39 HB VAL 39 7.423 -5.277 -1.740 280 1HG1 VAL 39 1HG1 VAL 39 5.395 -3.301 -2.654 281 2HG1 VAL 39 2HG1 VAL 39 5.869 -4.603 -3.742 282 3HG1 VAL 39 3HG1 VAL 39 5.195 -4.977 -2.156 283 1HG2 VAL 39 1HG2 VAL 39 8.821 -3.109 -2.913 284 2HG2 VAL 39 2HG2 VAL 39 8.919 -4.829 -3.295 285 3HG2 VAL 39 3HG2 VAL 39 7.751 -3.806 -4.129 286 H VAL 40 H VAL 40 6.304 -0.960 -1.010 287 HA VAL 40 HA VAL 40 3.924 -1.802 0.468 288 HB VAL 40 HB VAL 40 4.994 0.973 -0.040 289 1HG1 VAL 40 1HG1 VAL 40 2.363 0.031 0.799 290 2HG1 VAL 40 2HG1 VAL 40 3.094 1.168 1.933 291 3HG1 VAL 40 3HG1 VAL 40 2.871 1.625 0.244 292 1HG2 VAL 40 1HG2 VAL 40 5.087 -0.921 2.259 293 2HG2 VAL 40 2HG2 VAL 40 6.337 0.147 1.628 294 3HG2 VAL 40 3HG2 VAL 40 5.007 0.813 2.577 295 H GLU 41 H GLU 41 2.293 -2.346 -0.660 296 HA GLU 41 HA GLU 41 1.551 -0.828 -3.072 297 1HB GLU 41 1HB GLU 41 2.255 -3.429 -3.163 298 2HB GLU 41 2HB GLU 41 0.565 -3.618 -2.716 299 1HG GLU 41 1HG GLU 41 1.306 -1.861 -5.010 300 2HG GLU 41 2HG GLU 41 1.261 -3.612 -5.215 301 H LEU 42 H LEU 42 -0.679 -0.279 -3.186 302 HA LEU 42 HA LEU 42 -2.521 -1.257 -1.249 303 1HB LEU 42 1HB LEU 42 -2.142 0.091 0.446 304 2HB LEU 42 2HB LEU 42 -0.751 0.726 -0.397 305 HG LEU 42 HG LEU 42 -3.254 2.015 -1.206 306 1HD1 LEU 42 1HD1 LEU 42 -3.146 1.389 1.467 307 2HD1 LEU 42 2HD1 LEU 42 -2.471 3.017 1.398 308 3HD1 LEU 42 3HD1 LEU 42 -4.074 2.698 0.739 309 1HD2 LEU 42 1HD2 LEU 42 -0.483 2.783 -0.399 310 2HD2 LEU 42 2HD2 LEU 42 -1.348 3.113 -1.901 311 3HD2 LEU 42 3HD2 LEU 42 -1.755 4.003 -0.435 312 H GLY 43 H GLY 43 -4.580 -0.136 -1.256 313 1HA GLY 43 1HA GLY 43 -5.366 0.466 -3.957 314 2HA GLY 43 2HA GLY 43 -5.480 1.850 -2.877 315 H CYS 44 H CYS 44 -7.765 0.969 -4.041 316 HA CYS 44 HA CYS 44 -9.298 0.188 -1.728 317 1HB CYS 44 1HB CYS 44 -10.164 0.714 -4.584 318 2HB CYS 44 2HB CYS 44 -11.254 0.452 -3.228 319 H ALA 45 H ALA 45 -11.022 -1.529 -1.982 320 HA ALA 45 HA ALA 45 -10.582 -3.655 -3.835 321 1HB ALA 45 1HB ALA 45 -8.868 -4.586 -2.710 322 2HB ALA 45 2HB ALA 45 -9.266 -3.758 -1.206 323 3HB ALA 45 3HB ALA 45 -10.148 -5.212 -1.671 324 H ALA 46 H ALA 46 -12.349 -4.941 -3.989 325 HA ALA 46 HA ALA 46 -14.663 -4.220 -2.429 326 1HB ALA 46 1HB ALA 46 -15.882 -5.135 -4.091 327 2HB ALA 46 2HB ALA 46 -14.365 -5.035 -4.986 328 3HB ALA 46 3HB ALA 46 -14.839 -6.551 -4.220 329 H THR 47 H THR 47 -12.384 -6.854 -2.599 330 HA THR 47 HA THR 47 -13.513 -7.963 -0.141 331 HB THR 47 HB THR 47 -14.466 -9.293 -1.983 332 HG1 THR 47 HG1 THR 47 -13.698 -11.322 -1.233 333 1HG2 THR 47 1HG2 THR 47 -11.599 -9.827 -2.707 334 2HG2 THR 47 2HG2 THR 47 -12.962 -10.798 -3.266 335 3HG2 THR 47 3HG2 THR 47 -12.847 -9.096 -3.715 336 H CYS 48 H CYS 48 -11.835 -10.144 0.126 337 HA CYS 48 HA CYS 48 -9.295 -8.797 0.573 338 1HB CYS 48 1HB CYS 48 -10.704 -11.071 1.778 339 2HB CYS 48 2HB CYS 48 -8.958 -11.244 1.686 340 HA PRO 49 HA PRO 49 -7.780 -10.834 -3.147 341 1HB PRO 49 1HB PRO 49 -5.258 -9.818 -3.016 342 2HB PRO 49 2HB PRO 49 -6.638 -8.914 -3.648 343 1HG PRO 49 1HG PRO 49 -5.379 -8.795 -0.934 344 2HG PRO 49 2HG PRO 49 -5.940 -7.466 -1.967 345 1HD PRO 49 1HD PRO 49 -7.399 -8.378 0.108 346 2HD PRO 49 2HD PRO 49 -8.154 -7.779 -1.382 347 H SER 50 H SER 50 -5.546 -11.976 -3.605 348 HA SER 50 HA SER 50 -5.423 -14.253 -1.998 349 1HB SER 50 1HB SER 50 -3.024 -14.365 -3.205 350 2HB SER 50 2HB SER 50 -4.531 -14.715 -4.051 351 HG SER 50 HG SER 50 -3.289 -13.236 -5.229 352 H LYS 51 H LYS 51 -3.344 -15.056 -0.953 353 HA LYS 51 HA LYS 51 -1.854 -12.964 0.420 354 1HB LYS 51 1HB LYS 51 -3.963 -14.428 1.628 355 2HB LYS 51 2HB LYS 51 -2.450 -14.885 2.387 356 1HG LYS 51 1HG LYS 51 -2.733 -13.092 3.670 357 2HG LYS 51 2HG LYS 51 -2.251 -12.157 2.253 358 1HD LYS 51 1HD LYS 51 -4.235 -11.149 2.359 359 2HD LYS 51 2HD LYS 51 -4.960 -12.681 1.868 360 1HE LYS 51 1HE LYS 51 -5.452 -13.286 4.074 361 2HE LYS 51 2HE LYS 51 -4.329 -12.104 4.743 362 1HZ LYS 51 1HZ LYS 51 -6.746 -11.315 3.225 363 2HZ LYS 51 2HZ LYS 51 -6.763 -11.544 4.900 364 3HZ LYS 51 3HZ LYS 51 -5.778 -10.348 4.219 365 H LYS 52 H LYS 52 -0.031 -13.647 -0.722 366 HA LYS 52 HA LYS 52 0.822 -16.380 -0.704 367 1HB LYS 52 1HB LYS 52 1.518 -14.029 -2.098 368 2HB LYS 52 2HB LYS 52 2.972 -14.544 -1.254 369 1HG LYS 52 1HG LYS 52 3.299 -15.851 -3.032 370 2HG LYS 52 2HG LYS 52 2.082 -16.897 -2.297 371 1HD LYS 52 1HD LYS 52 1.409 -14.673 -4.214 372 2HD LYS 52 2HD LYS 52 1.714 -16.334 -4.728 373 1HE LYS 52 1HE LYS 52 -0.370 -15.565 -2.694 374 2HE LYS 52 2HE LYS 52 -0.704 -15.743 -4.416 375 1HZ LYS 52 1HZ LYS 52 0.452 -18.058 -3.975 376 2HZ LYS 52 2HZ LYS 52 -0.133 -17.787 -2.411 377 3HZ LYS 52 3HZ LYS 52 -1.204 -17.826 -3.720 378 HA PRO 53 HA PRO 53 3.010 -16.936 3.069 379 1HB PRO 53 1HB PRO 53 5.419 -17.428 1.366 380 2HB PRO 53 2HB PRO 53 4.776 -18.385 2.706 381 1HG PRO 53 1HG PRO 53 4.389 -19.154 0.188 382 2HG PRO 53 2HG PRO 53 3.110 -19.337 1.403 383 1HD PRO 53 1HD PRO 53 3.341 -17.378 -0.824 384 2HD PRO 53 2HD PRO 53 1.891 -18.091 -0.090 385 H TYR 54 H TYR 54 5.307 -15.511 0.734 386 HA TYR 54 HA TYR 54 6.420 -13.797 2.751 387 1HB TYR 54 1HB TYR 54 7.164 -14.710 0.153 388 2HB TYR 54 2HB TYR 54 7.320 -12.963 0.236 389 HD1 TYR 54 HD1 TYR 54 8.436 -12.171 2.584 390 HD2 TYR 54 HD2 TYR 54 9.053 -15.916 0.662 391 HE1 TYR 54 HE1 TYR 54 10.577 -12.419 3.768 392 HE2 TYR 54 HE2 TYR 54 11.194 -16.176 1.841 393 HH TYR 54 HH TYR 54 12.859 -14.855 2.950 394 H GLU 55 H GLU 55 4.541 -13.344 -0.205 395 HA GLU 55 HA GLU 55 4.222 -10.514 0.281 396 1HB GLU 55 1HB GLU 55 4.440 -11.288 -2.009 397 2HB GLU 55 2HB GLU 55 3.055 -12.353 -1.816 398 1HG GLU 55 1HG GLU 55 2.232 -9.729 -1.146 399 2HG GLU 55 2HG GLU 55 3.119 -9.652 -2.667 400 H GLU 56 H GLU 56 2.938 -10.020 1.977 401 HA GLU 56 HA GLU 56 0.295 -11.313 2.097 402 1HB GLU 56 1HB GLU 56 2.266 -10.643 4.210 403 2HB GLU 56 2HB GLU 56 0.573 -10.397 4.600 404 1HG GLU 56 1HG GLU 56 0.147 -12.757 3.932 405 2HG GLU 56 2HG GLU 56 1.889 -12.963 3.750 406 H VAL 57 H VAL 57 -1.465 -10.018 2.773 407 HA VAL 57 HA VAL 57 -1.079 -7.136 2.872 408 HB VAL 57 HB VAL 57 -1.429 -7.227 0.584 409 1HG1 VAL 57 1HG1 VAL 57 -3.106 -9.589 1.190 410 2HG1 VAL 57 2HG1 VAL 57 -3.508 -8.653 -0.250 411 3HG1 VAL 57 3HG1 VAL 57 -1.897 -9.349 -0.071 412 1HG2 VAL 57 1HG2 VAL 57 -3.028 -5.707 1.694 413 2HG2 VAL 57 2HG2 VAL 57 -3.614 -6.309 0.145 414 3HG2 VAL 57 3HG2 VAL 57 -4.236 -6.990 1.648 415 H THR 58 H THR 58 -2.942 -5.990 3.621 416 HA THR 58 HA THR 58 -4.862 -7.699 5.053 417 HB THR 58 HB THR 58 -3.928 -6.890 6.916 418 HG1 THR 58 HG1 THR 58 -4.731 -4.839 7.550 419 1HG2 THR 58 1HG2 THR 58 -2.702 -4.771 5.206 420 2HG2 THR 58 2HG2 THR 58 -2.663 -4.657 6.965 421 3HG2 THR 58 3HG2 THR 58 -1.917 -6.034 6.154 422 H CYS 59 H CYS 59 -6.953 -7.174 4.977 423 HA CYS 59 HA CYS 59 -7.701 -4.798 3.410 424 1HB CYS 59 1HB CYS 59 -9.799 -6.735 3.375 425 2HB CYS 59 2HB CYS 59 -8.835 -6.138 2.037 426 H CYS 60 H CYS 60 -8.785 -3.316 4.602 427 HA CYS 60 HA CYS 60 -10.359 -4.289 6.895 428 1HB CYS 60 1HB CYS 60 -9.817 -2.312 8.116 429 2HB CYS 60 2HB CYS 60 -8.307 -2.954 7.480 430 H SER 61 H SER 61 -11.951 -2.409 7.598 431 HA SER 61 HA SER 61 -13.257 -1.332 5.196 432 1HB SER 61 1HB SER 61 -15.375 -2.154 5.799 433 2HB SER 61 2HB SER 61 -14.295 -3.513 6.109 434 HG SER 61 HG SER 61 -15.660 -1.870 7.903 435 H THR 62 H THR 62 -11.582 -0.108 7.319 436 HA THR 62 HA THR 62 -13.583 1.686 8.528 437 HB THR 62 HB THR 62 -10.763 1.788 9.441 438 HG1 THR 62 HG1 THR 62 -10.690 -0.174 10.160 439 1HG2 THR 62 1HG2 THR 62 -13.072 2.836 10.393 440 2HG2 THR 62 2HG2 THR 62 -12.923 1.374 11.367 441 3HG2 THR 62 3HG2 THR 62 -11.618 2.560 11.352 442 H ASP 63 H ASP 63 -13.442 2.420 6.094 443 HA ASP 63 HA ASP 63 -12.837 4.014 4.576 444 1HB ASP 63 1HB ASP 63 -13.303 5.277 6.922 445 2HB ASP 63 2HB ASP 63 -11.631 5.759 6.650 446 H LYS 64 H LYS 64 -10.633 5.870 4.717 447 HA LYS 64 HA LYS 64 -8.581 4.337 3.650 448 1HB LYS 64 1HB LYS 64 -7.388 6.379 3.423 449 2HB LYS 64 2HB LYS 64 -9.078 6.767 3.192 450 1HG LYS 64 1HG LYS 64 -9.077 7.396 5.681 451 2HG LYS 64 2HG LYS 64 -7.320 7.407 5.528 452 1HD LYS 64 1HD LYS 64 -8.240 9.641 5.205 453 2HD LYS 64 2HD LYS 64 -7.478 9.049 3.728 454 1HE LYS 64 1HE LYS 64 -9.370 9.315 2.602 455 2HE LYS 64 2HE LYS 64 -10.234 8.284 3.742 456 1HZ LYS 64 1HZ LYS 64 -9.688 10.984 4.653 457 2HZ LYS 64 2HZ LYS 64 -10.784 10.860 3.369 458 3HZ LYS 64 3HZ LYS 64 -11.085 10.046 4.821 459 H CYS 65 H CYS 65 -8.727 2.857 5.523 460 HA CYS 65 HA CYS 65 -7.204 3.602 7.869 461 1HB CYS 65 1HB CYS 65 -8.538 2.109 8.871 462 2HB CYS 65 2HB CYS 65 -9.307 1.810 7.329 463 H ASN 66 H ASN 66 -6.384 2.827 4.856 464 HA ASN 66 HA ASN 66 -4.190 1.057 5.645 465 1HB ASN 66 1HB ASN 66 -4.020 0.571 3.220 466 2HB ASN 66 2HB ASN 66 -5.510 0.040 3.982 467 2HD2 ASN 66 2HD2 ASN 66 -5.065 0.449 1.266 468 1HD2 ASN 66 1HD2 ASN 66 -6.118 1.701 0.720 469 HA PRO 67 HA PRO 67 -2.197 5.095 4.350 470 1HB PRO 67 1HB PRO 67 -1.440 6.134 6.677 471 2HB PRO 67 2HB PRO 67 -3.113 6.297 6.124 472 1HG PRO 67 1HG PRO 67 -1.957 4.383 8.117 473 2HG PRO 67 2HG PRO 67 -3.465 5.311 8.204 474 1HD PRO 67 1HD PRO 67 -3.303 2.665 7.430 475 2HD PRO 67 2HD PRO 67 -4.616 3.767 6.984 476 H HIS 68 H HIS 68 -0.119 4.960 3.716 477 HA HIS 68 HA HIS 68 1.610 2.914 4.092 478 1HB HIS 68 1HB HIS 68 1.856 5.091 2.665 479 2HB HIS 68 2HB HIS 68 2.755 5.692 4.053 480 HD1 HIS 68 HD1 HIS 68 5.017 4.442 4.612 481 HD2 HIS 68 HD2 HIS 68 3.231 3.331 1.040 482 HE1 HIS 68 HE1 HIS 68 6.785 3.197 3.339 483 HE2 HIS 68 HE2 HIS 68 5.706 2.607 1.143 484 HA PRO 69 HA PRO 69 2.780 2.808 8.380 485 1HB PRO 69 1HB PRO 69 5.370 1.757 7.392 486 2HB PRO 69 2HB PRO 69 4.229 1.047 8.538 487 1HG PRO 69 1HG PRO 69 4.458 0.089 6.060 488 2HG PRO 69 2HG PRO 69 2.881 0.182 6.866 489 1HD PRO 69 1HD PRO 69 4.043 1.956 4.757 490 2HD PRO 69 2HD PRO 69 2.375 1.378 4.954 491 H LYS 70 H LYS 70 4.432 4.633 6.018 492 HA LYS 70 HA LYS 70 5.844 6.115 8.126 493 1HB LYS 70 1HB LYS 70 7.007 4.698 5.960 494 2HB LYS 70 2HB LYS 70 7.207 6.412 5.625 495 1HG LYS 70 1HG LYS 70 7.897 5.364 8.327 496 2HG LYS 70 2HG LYS 70 9.007 5.104 6.979 497 1HD LYS 70 1HD LYS 70 7.919 7.804 7.769 498 2HD LYS 70 2HD LYS 70 9.467 7.164 8.325 499 1HE LYS 70 1HE LYS 70 8.636 7.868 5.523 500 2HE LYS 70 2HE LYS 70 9.960 8.543 6.472 501 1HZ LYS 70 1HZ LYS 70 10.838 6.137 6.437 502 2HZ LYS 70 2HZ LYS 70 9.796 5.931 5.121 503 3HZ LYS 70 3HZ LYS 70 11.026 7.092 5.054 504 H GLN 71 H GLN 71 3.343 6.303 6.125 505 HA GLN 71 HA GLN 71 3.734 8.645 4.626 506 1HB GLN 71 1HB GLN 71 1.605 6.839 5.161 507 2HB GLN 71 2HB GLN 71 1.007 8.465 5.451 508 1HG GLN 71 1HG GLN 71 2.210 8.910 3.131 509 2HG GLN 71 2HG GLN 71 1.891 7.187 2.934 510 2HE2 GLN 71 2HE2 GLN 71 0.758 9.887 1.894 511 1HE2 GLN 71 1HE2 GLN 71 -0.950 9.629 1.956 512 H ARG 72 H ARG 72 2.127 10.589 5.085 513 HA ARG 72 HA ARG 72 3.056 11.748 7.573 514 1HB ARG 72 1HB ARG 72 2.955 12.888 5.243 515 2HB ARG 72 2HB ARG 72 1.252 13.128 5.610 516 1HG ARG 72 1HG ARG 72 1.976 14.261 7.733 517 2HG ARG 72 2HG ARG 72 3.626 14.201 7.108 518 1HD ARG 72 1HD ARG 72 1.256 15.611 5.893 519 2HD ARG 72 2HD ARG 72 2.694 16.350 6.594 520 HE ARG 72 HE ARG 72 3.482 14.664 4.499 521 1HH1 ARG 72 1HH1 ARG 72 1.766 17.661 5.002 522 2HH1 ARG 72 2HH1 ARG 72 2.197 18.312 3.457 523 1HH2 ARG 72 1HH2 ARG 72 4.051 15.520 2.466 524 2HH2 ARG 72 2HH2 ARG 72 3.494 17.098 2.017 525 HA PRO 73 HA PRO 73 -0.878 10.516 9.437 526 1HB PRO 73 1HB PRO 73 -0.205 11.187 11.974 527 2HB PRO 73 2HB PRO 73 0.335 9.690 11.207 528 1HG PRO 73 1HG PRO 73 1.806 12.273 11.563 529 2HG PRO 73 2HG PRO 73 2.388 10.614 11.794 530 1HD PRO 73 1HD PRO 73 2.923 12.048 9.560 531 2HD PRO 73 2HD PRO 73 2.725 10.284 9.538 532 H GLY 74 H GLY 74 -2.653 11.629 10.295 533 1HA GLY 74 1HA GLY 74 -3.935 13.612 9.880 534 2HA GLY 74 2HA GLY 74 -2.460 14.553 10.037 535 H1 TRP 75 H1 TRP 75 3.562 2.945 -11.260 536 H2 TRP 75 H2 TRP 75 4.943 2.733 -12.256 537 H3 TRP 75 H3 TRP 75 4.232 1.380 -11.480 538 HA TRP 75 HA TRP 75 6.168 1.953 -10.325 539 1HB TRP 75 1HB TRP 75 6.179 4.308 -9.258 540 2HB TRP 75 2HB TRP 75 6.591 4.170 -10.964 541 HD1 TRP 75 HD1 TRP 75 3.233 4.653 -9.052 542 HE1 TRP 75 HE1 TRP 75 1.927 6.530 -10.237 543 HE3 TRP 75 HE3 TRP 75 6.591 5.777 -12.738 544 HZ2 TRP 75 HZ2 TRP 75 2.277 8.261 -12.440 545 HZ3 TRP 75 HZ3 TRP 75 6.030 7.558 -14.344 546 HH2 TRP 75 HH2 TRP 75 3.917 8.772 -14.196 547 H ARG 76 H ARG 76 6.327 2.192 -7.958 548 HA ARG 76 HA ARG 76 3.824 2.296 -6.485 549 1HB ARG 76 1HB ARG 76 5.033 0.009 -5.450 550 2HB ARG 76 2HB ARG 76 3.552 0.077 -6.387 551 1HG ARG 76 1HG ARG 76 4.581 -0.611 -8.323 552 2HG ARG 76 2HG ARG 76 6.163 -0.010 -7.820 553 1HD ARG 76 1HD ARG 76 4.742 -2.460 -6.794 554 2HD ARG 76 2HD ARG 76 6.192 -2.411 -7.795 555 HE ARG 76 HE ARG 76 7.442 -1.781 -5.941 556 1HH1 ARG 76 1HH1 ARG 76 4.049 -2.018 -5.133 557 2HH1 ARG 76 2HH1 ARG 76 4.330 -1.936 -3.428 558 1HH2 ARG 76 1HH2 ARG 76 7.801 -1.657 -3.731 559 2HH2 ARG 76 2HH2 ARG 76 6.472 -1.730 -2.633 560 H TYR 77 H TYR 77 4.700 1.384 -4.014 561 HA TYR 77 HA TYR 77 7.091 3.063 -3.558 562 1HB TYR 77 1HB TYR 77 4.823 2.819 -1.605 563 2HB TYR 77 2HB TYR 77 6.168 3.944 -1.561 564 HD1 TYR 77 HD1 TYR 77 3.448 3.051 -3.989 565 HD2 TYR 77 HD2 TYR 77 5.642 6.117 -2.019 566 HE1 TYR 77 HE1 TYR 77 2.082 4.753 -5.120 567 HE2 TYR 77 HE2 TYR 77 4.279 7.824 -3.145 568 HH TYR 77 HH TYR 77 2.161 7.073 -5.734 569 H TYR 78 H TYR 78 8.398 2.542 -1.807 570 HA TYR 78 HA TYR 78 8.228 -0.242 -0.930 571 1HB TYR 78 1HB TYR 78 10.583 1.667 -0.809 572 2HB TYR 78 2HB TYR 78 10.608 -0.032 -0.390 573 HD1 TYR 78 HD1 TYR 78 8.552 -0.157 -3.067 574 HD2 TYR 78 HD2 TYR 78 12.607 0.786 -2.199 575 HE1 TYR 78 HE1 TYR 78 9.173 -0.740 -5.369 576 HE2 TYR 78 HE2 TYR 78 13.240 0.202 -4.501 577 HH TYR 78 HH TYR 78 11.655 0.169 -6.892 578 H GLU 79 H GLU 79 8.975 -0.552 1.420 579 HA GLU 79 HA GLU 79 7.313 1.072 3.058 580 1HB GLU 79 1HB GLU 79 7.607 -1.261 3.591 581 2HB GLU 79 2HB GLU 79 9.342 -1.050 3.776 582 1HG GLU 79 1HG GLU 79 7.610 0.613 5.496 583 2HG GLU 79 2HG GLU 79 7.639 -1.118 5.830 584 H SER 80 H SER 80 10.846 0.630 3.024 585 HA SER 80 HA SER 80 11.396 2.570 4.974 586 1HB SER 80 1HB SER 80 13.680 2.291 4.395 587 2HB SER 80 2HB SER 80 12.922 0.721 4.147 588 HG SER 80 HG SER 80 12.834 1.188 1.924 589 H SER 81 H SER 81 10.408 3.002 1.736 590 HA SER 81 HA SER 81 11.291 5.805 1.863 591 1HB SER 81 1HB SER 81 11.078 5.367 -0.815 592 2HB SER 81 2HB SER 81 12.584 5.273 0.094 593 HG SER 81 HG SER 81 11.585 3.381 -1.312 594 H LEU 82 H LEU 82 9.531 6.973 2.263 595 HA LEU 82 HA LEU 82 6.895 6.235 1.597 596 1HB LEU 82 1HB LEU 82 8.118 8.107 3.199 597 2HB LEU 82 2HB LEU 82 7.422 9.101 1.940 598 HG LEU 82 HG LEU 82 6.161 8.436 4.206 599 1HD1 LEU 82 1HD1 LEU 82 5.393 9.424 1.588 600 2HD1 LEU 82 2HD1 LEU 82 4.054 8.660 2.444 601 3HD1 LEU 82 3HD1 LEU 82 4.935 9.992 3.194 602 1HD2 LEU 82 1HD2 LEU 82 6.115 6.026 3.553 603 2HD2 LEU 82 2HD2 LEU 82 4.531 6.730 3.882 604 3HD2 LEU 82 3HD2 LEU 82 5.052 6.469 2.218 605 H GLU 83 H GLU 83 9.392 7.817 -0.181 606 HA GLU 83 HA GLU 83 7.775 9.271 -1.991 607 1HB GLU 83 1HB GLU 83 10.578 8.218 -2.372 608 2HB GLU 83 2HB GLU 83 9.812 9.486 -3.310 609 1HG GLU 83 1HG GLU 83 9.536 10.566 -0.902 610 2HG GLU 83 2HG GLU 83 10.955 9.568 -0.587 611 HA PRO 84 HA PRO 84 6.571 6.260 -4.977 612 1HB PRO 84 1HB PRO 84 7.399 7.904 -7.240 613 2HB PRO 84 2HB PRO 84 5.769 7.559 -6.658 614 1HG PRO 84 1HG PRO 84 6.908 10.012 -6.463 615 2HG PRO 84 2HG PRO 84 5.724 9.404 -5.292 616 1HD PRO 84 1HD PRO 84 8.714 9.514 -5.078 617 2HD PRO 84 2HD PRO 84 7.487 9.897 -3.856 618 H TYR 85 H TYR 85 7.332 4.626 -6.287 619 HA TYR 85 HA TYR 85 10.140 4.748 -7.112 620 1HB TYR 85 1HB TYR 85 8.888 2.884 -5.163 621 2HB TYR 85 2HB TYR 85 10.079 2.216 -6.273 622 HD1 TYR 85 HD1 TYR 85 12.256 2.146 -5.491 623 HD2 TYR 85 HD2 TYR 85 9.695 5.248 -4.078 624 HE1 TYR 85 HE1 TYR 85 14.061 2.973 -4.045 625 HE2 TYR 85 HE2 TYR 85 11.499 6.076 -2.632 626 HH TYR 85 HH TYR 85 14.649 5.300 -2.981 627 HA PRO 86 HA PRO 86 8.627 2.886 -10.821 628 1HB PRO 86 1HB PRO 86 10.863 1.610 -11.691 629 2HB PRO 86 2HB PRO 86 10.667 3.365 -11.768 630 1HG PRO 86 1HG PRO 86 12.137 1.710 -9.752 631 2HG PRO 86 2HG PRO 86 12.629 3.229 -10.527 632 1HD PRO 86 1HD PRO 86 11.612 3.140 -8.021 633 2HD PRO 86 2HD PRO 86 11.339 4.514 -9.111 634 H ASP 87 H ASP 87 7.635 1.026 -11.427 635 HA ASP 87 HA ASP 87 7.369 -1.095 -9.611 636 1HB ASP 87 1HB ASP 87 6.108 -2.225 -11.384 637 2HB ASP 87 2HB ASP 87 5.645 -0.530 -11.268 No H/Q in entry = 637 Start of MODEL 4 1 H1 ILE 1 H1 ILE 1 -17.199 4.403 -0.490 2 H2 ILE 1 H2 ILE 1 -18.100 4.158 0.951 3 H3 ILE 1 H3 ILE 1 -17.717 5.749 0.441 4 HA ILE 1 HA ILE 1 -16.245 5.340 2.113 5 HB ILE 1 HB ILE 1 -16.675 2.950 2.312 6 1HG1 ILE 1 1HG1 ILE 1 -13.743 3.583 2.033 7 2HG1 ILE 1 2HG1 ILE 1 -14.730 3.926 3.447 8 1HG2 ILE 1 1HG2 ILE 1 -15.023 2.770 -0.179 9 2HG2 ILE 1 2HG2 ILE 1 -15.270 1.392 0.894 10 3HG2 ILE 1 3HG2 ILE 1 -16.651 2.152 0.103 11 1HD1 ILE 1 1HD1 ILE 1 -15.093 1.218 2.988 12 2HD1 ILE 1 2HD1 ILE 1 -13.379 1.500 2.684 13 3HD1 ILE 1 3HD1 ILE 1 -14.087 1.961 4.232 14 H VAL 2 H VAL 2 -13.938 5.560 2.095 15 HA VAL 2 HA VAL 2 -12.866 5.979 -0.608 16 HB VAL 2 HB VAL 2 -12.187 7.650 1.816 17 1HG1 VAL 2 1HG1 VAL 2 -10.737 7.285 -0.467 18 2HG1 VAL 2 2HG1 VAL 2 -11.693 8.711 -0.867 19 3HG1 VAL 2 3HG1 VAL 2 -10.662 8.713 0.563 20 1HG2 VAL 2 1HG2 VAL 2 -14.579 7.739 0.555 21 2HG2 VAL 2 2HG2 VAL 2 -13.813 9.129 1.323 22 3HG2 VAL 2 3HG2 VAL 2 -13.654 8.883 -0.416 23 H CYS 3 H CYS 3 -10.774 5.344 -0.990 24 HA CYS 3 HA CYS 3 -9.286 4.196 1.264 25 1HB CYS 3 1HB CYS 3 -9.771 2.847 -1.400 26 2HB CYS 3 2HB CYS 3 -8.640 2.270 -0.184 27 H HIS 4 H HIS 4 -6.996 3.703 0.650 28 HA HIS 4 HA HIS 4 -5.933 6.029 -0.737 29 1HB HIS 4 1HB HIS 4 -4.457 3.926 0.849 30 2HB HIS 4 2HB HIS 4 -3.825 5.481 0.319 31 HD1 HIS 4 HD1 HIS 4 -5.459 7.572 1.308 32 HD2 HIS 4 HD2 HIS 4 -5.230 4.011 3.432 33 HE1 HIS 4 HE1 HIS 4 -6.189 8.131 3.645 34 HE2 HIS 4 HE2 HIS 4 -5.832 6.006 4.950 35 H THR 5 H THR 5 -4.508 5.960 -2.434 36 HA THR 5 HA THR 5 -4.072 3.345 -3.695 37 HB THR 5 HB THR 5 -5.895 5.065 -4.686 38 HG1 THR 5 HG1 THR 5 -4.160 3.310 -6.054 39 1HG2 THR 5 1HG2 THR 5 -4.220 6.814 -5.147 40 2HG2 THR 5 2HG2 THR 5 -3.395 5.694 -6.233 41 3HG2 THR 5 3HG2 THR 5 -5.037 6.233 -6.599 42 H THR 6 H THR 6 -2.259 3.227 -5.072 43 HA THR 6 HA THR 6 -0.304 5.398 -4.759 44 HB THR 6 HB THR 6 1.400 3.427 -4.683 45 HG1 THR 6 HG1 THR 6 -0.122 1.774 -4.961 46 1HG2 THR 6 1HG2 THR 6 -0.281 4.213 -2.324 47 2HG2 THR 6 2HG2 THR 6 1.198 3.260 -2.209 48 3HG2 THR 6 3HG2 THR 6 1.257 4.909 -2.827 49 H ALA 7 H ALA 7 -2.103 4.406 -6.979 50 HA ALA 7 HA ALA 7 -0.183 3.464 -8.956 51 1HB ALA 7 1HB ALA 7 -2.248 3.542 -10.460 52 2HB ALA 7 2HB ALA 7 -2.242 2.365 -9.147 53 3HB ALA 7 3HB ALA 7 -3.158 3.864 -8.984 54 H THR 8 H THR 8 -0.061 6.192 -7.753 55 HA THR 8 HA THR 8 -0.025 7.709 -10.267 56 HB THR 8 HB THR 8 -1.240 9.459 -9.433 57 HG1 THR 8 HG1 THR 8 -0.838 8.948 -6.716 58 1HG2 THR 8 1HG2 THR 8 -2.488 7.173 -8.867 59 2HG2 THR 8 2HG2 THR 8 -2.344 7.829 -7.234 60 3HG2 THR 8 3HG2 THR 8 -3.165 8.758 -8.491 61 H SER 9 H SER 9 1.135 10.045 -9.412 62 HA SER 9 HA SER 9 3.810 9.204 -8.893 63 1HB SER 9 1HB SER 9 2.575 11.579 -9.801 64 2HB SER 9 2HB SER 9 3.524 12.007 -8.380 65 HG SER 9 HG SER 9 5.314 11.555 -9.425 66 HA PRO 10 HA PRO 10 3.075 10.683 -4.478 67 1HB PRO 10 1HB PRO 10 1.211 12.490 -3.861 68 2HB PRO 10 2HB PRO 10 2.682 12.983 -4.708 69 1HG PRO 10 1HG PRO 10 -0.081 12.677 -5.741 70 2HG PRO 10 2HG PRO 10 1.210 13.762 -6.282 71 1HD PRO 10 1HD PRO 10 0.446 11.260 -7.420 72 2HD PRO 10 2HD PRO 10 1.799 12.297 -7.893 73 H ILE 11 H ILE 11 1.207 10.581 -2.608 74 HA ILE 11 HA ILE 11 -0.446 8.313 -3.420 75 HB ILE 11 HB ILE 11 -0.290 9.439 -0.637 76 1HG1 ILE 11 1HG1 ILE 11 1.437 7.282 -1.861 77 2HG1 ILE 11 2HG1 ILE 11 1.988 8.902 -1.445 78 1HG2 ILE 11 1HG2 ILE 11 -2.134 7.910 -1.120 79 2HG2 ILE 11 2HG2 ILE 11 -0.980 6.698 -1.677 80 3HG2 ILE 11 3HG2 ILE 11 -0.985 7.199 0.014 81 1HD1 ILE 11 1HD1 ILE 11 0.906 8.018 0.910 82 2HD1 ILE 11 2HD1 ILE 11 1.626 6.556 0.238 83 3HD1 ILE 11 3HD1 ILE 11 2.618 7.992 0.488 84 H SER 12 H SER 12 -2.642 8.209 -3.122 85 HA SER 12 HA SER 12 -4.109 10.592 -2.356 86 1HB SER 12 1HB SER 12 -5.436 10.346 -4.616 87 2HB SER 12 2HB SER 12 -3.951 11.294 -4.554 88 HG SER 12 HG SER 12 -4.205 9.649 -6.297 89 H ALA 13 H ALA 13 -6.450 10.255 -2.325 90 HA ALA 13 HA ALA 13 -7.277 7.445 -2.284 91 1HB ALA 13 1HB ALA 13 -7.122 9.267 0.033 92 2HB ALA 13 2HB ALA 13 -8.596 8.308 -0.105 93 3HB ALA 13 3HB ALA 13 -7.026 7.507 -0.037 94 H VAL 14 H VAL 14 -9.425 7.102 -2.806 95 HA VAL 14 HA VAL 14 -11.134 9.455 -3.189 96 HB VAL 14 HB VAL 14 -9.852 8.654 -5.342 97 1HG1 VAL 14 1HG1 VAL 14 -10.702 6.281 -4.958 98 2HG1 VAL 14 2HG1 VAL 14 -12.266 6.877 -5.518 99 3HG1 VAL 14 3HG1 VAL 14 -10.863 6.935 -6.590 100 1HG2 VAL 14 1HG2 VAL 14 -12.085 10.154 -4.863 101 2HG2 VAL 14 2HG2 VAL 14 -11.285 9.985 -6.427 102 3HG2 VAL 14 3HG2 VAL 14 -12.669 8.964 -6.027 103 H THR 15 H THR 15 -13.300 8.557 -4.218 104 HA THR 15 HA THR 15 -14.333 6.640 -2.303 105 HB THR 15 HB THR 15 -16.249 7.629 -4.241 106 HG1 THR 15 HG1 THR 15 -14.882 9.601 -2.739 107 1HG2 THR 15 1HG2 THR 15 -15.967 8.094 -1.286 108 2HG2 THR 15 2HG2 THR 15 -17.373 8.514 -2.263 109 3HG2 THR 15 3HG2 THR 15 -16.914 6.824 -2.060 110 H CYS 16 H CYS 16 -14.093 4.571 -2.857 111 HA CYS 16 HA CYS 16 -13.682 3.574 -5.429 112 1HB CYS 16 1HB CYS 16 -14.999 1.832 -3.393 113 2HB CYS 16 2HB CYS 16 -13.707 1.464 -4.523 114 HA PRO 17 HA PRO 17 -17.733 3.802 -7.227 115 1HB PRO 17 1HB PRO 17 -17.322 2.040 -9.268 116 2HB PRO 17 2HB PRO 17 -16.726 3.702 -9.286 117 1HG PRO 17 1HG PRO 17 -15.275 1.174 -8.609 118 2HG PRO 17 2HG PRO 17 -14.728 2.553 -9.582 119 1HD PRO 17 1HD PRO 17 -13.960 2.216 -7.022 120 2HD PRO 17 2HD PRO 17 -14.223 3.827 -7.721 121 HA PRO 18 HA PRO 18 -20.235 0.396 -5.951 122 1HB PRO 18 1HB PRO 18 -21.502 -0.456 -8.258 123 2HB PRO 18 2HB PRO 18 -22.015 0.918 -7.275 124 1HG PRO 18 1HG PRO 18 -20.389 0.882 -9.783 125 2HG PRO 18 2HG PRO 18 -21.671 2.005 -9.292 126 1HD PRO 18 1HD PRO 18 -19.090 2.686 -9.123 127 2HD PRO 18 2HD PRO 18 -20.258 3.200 -7.889 128 H GLY 19 H GLY 19 -18.021 -0.704 -5.742 129 1HA GLY 19 1HA GLY 19 -16.961 -2.489 -7.552 130 2HA GLY 19 2HA GLY 19 -18.258 -3.362 -6.750 131 H GLU 20 H GLU 20 -16.074 -0.933 -5.357 132 HA GLU 20 HA GLU 20 -14.841 -3.057 -3.709 133 1HB GLU 20 1HB GLU 20 -13.830 -0.252 -3.938 134 2HB GLU 20 2HB GLU 20 -12.944 -1.702 -3.523 135 1HG GLU 20 1HG GLU 20 -12.208 -1.658 -5.618 136 2HG GLU 20 2HG GLU 20 -13.808 -2.248 -6.061 137 H ASN 21 H ASN 21 -14.927 -2.992 -1.567 138 HA ASN 21 HA ASN 21 -16.361 -0.769 -0.298 139 1HB ASN 21 1HB ASN 21 -17.105 -3.510 -0.429 140 2HB ASN 21 2HB ASN 21 -16.776 -3.084 1.240 141 2HD2 ASN 21 2HD2 ASN 21 -19.185 -3.752 0.958 142 1HD2 ASN 21 1HD2 ASN 21 -20.267 -2.419 0.828 143 H LEU 22 H LEU 22 -13.653 -2.887 -0.278 144 HA LEU 22 HA LEU 22 -12.823 -1.746 2.302 145 1HB LEU 22 1HB LEU 22 -11.377 -4.136 1.806 146 2HB LEU 22 2HB LEU 22 -12.489 -3.772 3.097 147 HG LEU 22 HG LEU 22 -14.197 -4.425 1.045 148 1HD1 LEU 22 1HD1 LEU 22 -11.614 -5.849 0.705 149 2HD1 LEU 22 2HD1 LEU 22 -13.106 -6.762 0.495 150 3HD1 LEU 22 3HD1 LEU 22 -12.794 -5.340 -0.501 151 1HD2 LEU 22 1HD2 LEU 22 -13.887 -5.155 3.572 152 2HD2 LEU 22 2HD2 LEU 22 -14.863 -6.095 2.442 153 3HD2 LEU 22 3HD2 LEU 22 -13.213 -6.597 2.812 154 H CYS 23 H CYS 23 -10.544 -1.408 2.582 155 HA CYS 23 HA CYS 23 -9.214 -0.685 0.066 156 1HB CYS 23 1HB CYS 23 -8.222 0.072 2.784 157 2HB CYS 23 2HB CYS 23 -8.022 0.924 1.259 158 H TYR 24 H TYR 24 -6.983 -1.230 -0.281 159 HA TYR 24 HA TYR 24 -6.022 -3.406 1.443 160 1HB TYR 24 1HB TYR 24 -5.441 -4.782 -0.347 161 2HB TYR 24 2HB TYR 24 -7.012 -4.148 -0.788 162 HD1 TYR 24 HD1 TYR 24 -3.379 -3.391 -1.315 163 HD2 TYR 24 HD2 TYR 24 -7.321 -3.351 -2.923 164 HE1 TYR 24 HE1 TYR 24 -2.481 -2.666 -3.482 165 HE2 TYR 24 HE2 TYR 24 -6.431 -2.620 -5.093 166 HH TYR 24 HH TYR 24 -4.407 -1.437 -5.953 167 H ARG 25 H ARG 25 -3.859 -3.721 1.652 168 HA ARG 25 HA ARG 25 -2.028 -1.744 0.509 169 1HB ARG 25 1HB ARG 25 -2.637 -0.847 2.703 170 2HB ARG 25 2HB ARG 25 -2.248 -2.386 3.461 171 1HG ARG 25 1HG ARG 25 0.086 -1.802 2.189 172 2HG ARG 25 2HG ARG 25 -0.495 -0.196 2.631 173 1HD ARG 25 1HD ARG 25 0.967 -1.270 4.344 174 2HD ARG 25 2HD ARG 25 -0.625 -0.798 4.937 175 HE ARG 25 HE ARG 25 -0.473 -3.529 4.041 176 1HH1 ARG 25 1HH1 ARG 25 -0.013 -1.365 6.741 177 2HH1 ARG 25 2HH1 ARG 25 -0.214 -2.606 7.931 178 1HH2 ARG 25 1HH2 ARG 25 -0.738 -5.164 5.606 179 2HH2 ARG 25 2HH2 ARG 25 -0.625 -4.763 7.288 180 H LYS 26 H LYS 26 -0.656 -3.006 -0.592 181 HA LYS 26 HA LYS 26 -0.066 -5.688 0.368 182 1HB LYS 26 1HB LYS 26 -0.574 -5.227 -2.032 183 2HB LYS 26 2HB LYS 26 0.931 -4.326 -2.132 184 1HG LYS 26 1HG LYS 26 2.043 -6.487 -1.305 185 2HG LYS 26 2HG LYS 26 0.523 -7.264 -1.753 186 1HD LYS 26 1HD LYS 26 0.772 -6.320 -4.035 187 2HD LYS 26 2HD LYS 26 2.350 -5.686 -3.563 188 1HE LYS 26 1HE LYS 26 3.312 -7.651 -3.953 189 2HE LYS 26 2HE LYS 26 2.171 -8.469 -2.887 190 1HZ LYS 26 1HZ LYS 26 1.434 -7.734 -5.653 191 2HZ LYS 26 2HZ LYS 26 2.243 -9.180 -5.315 192 3HZ LYS 26 3HZ LYS 26 0.720 -8.887 -4.641 193 H MET 27 H MET 27 1.997 -6.484 0.804 194 HA MET 27 HA MET 27 4.211 -4.622 0.910 195 1HB MET 27 1HB MET 27 3.017 -5.888 3.356 196 2HB MET 27 2HB MET 27 4.657 -5.268 3.315 197 1HG MET 27 1HG MET 27 3.649 -3.065 2.565 198 2HG MET 27 2HG MET 27 2.092 -3.751 3.023 199 1HE MET 27 1HE MET 27 5.365 -2.133 4.132 200 2HE MET 27 2HE MET 27 3.939 -1.096 4.170 201 3HE MET 27 3HE MET 27 4.791 -1.480 5.665 202 H TRP 28 H TRP 28 6.085 -5.544 0.543 203 HA TRP 28 HA TRP 28 6.814 -8.186 1.301 204 1HB TRP 28 1HB TRP 28 6.976 -9.228 -0.921 205 2HB TRP 28 2HB TRP 28 5.307 -8.860 -0.514 206 HD1 TRP 28 HD1 TRP 28 5.516 -5.741 -1.346 207 HE1 TRP 28 HE1 TRP 28 5.493 -5.150 -3.852 208 HE3 TRP 28 HE3 TRP 28 6.974 -10.247 -3.242 209 HZ2 TRP 28 HZ2 TRP 28 6.042 -6.418 -6.299 210 HZ3 TRP 28 HZ3 TRP 28 7.206 -10.479 -5.681 211 HH2 TRP 28 HH2 TRP 28 6.747 -8.605 -7.178 212 H CYS 29 H CYS 29 8.971 -8.064 1.591 213 HA CYS 29 HA CYS 29 10.402 -5.827 0.907 214 1HB CYS 29 1HB CYS 29 11.332 -8.519 1.778 215 2HB CYS 29 2HB CYS 29 12.488 -7.339 1.244 216 H ASP 30 H ASP 30 11.504 -5.116 -0.728 217 HA ASP 30 HA ASP 30 11.808 -6.811 -3.093 218 1HB ASP 30 1HB ASP 30 12.272 -4.794 -4.331 219 2HB ASP 30 2HB ASP 30 10.846 -4.481 -3.359 220 H ALA 31 H ALA 31 13.908 -7.132 -3.921 221 HA ALA 31 HA ALA 31 15.875 -7.905 -2.297 222 1HB ALA 31 1HB ALA 31 17.203 -8.100 -4.118 223 2HB ALA 31 2HB ALA 31 15.702 -7.707 -4.957 224 3HB ALA 31 3HB ALA 31 16.899 -6.447 -4.655 225 H PHE 32 H PHE 32 15.403 -6.221 -0.613 226 HA PHE 32 HA PHE 32 17.691 -4.658 -0.239 227 1HB PHE 32 1HB PHE 32 15.529 -3.380 -1.616 228 2HB PHE 32 2HB PHE 32 15.750 -2.642 -0.044 229 HD1 PHE 32 HD1 PHE 32 16.750 -2.511 -3.364 230 HD2 PHE 32 HD2 PHE 32 18.317 -2.239 0.580 231 HE1 PHE 32 HE1 PHE 32 18.687 -1.263 -4.225 232 HE2 PHE 32 HE2 PHE 32 20.255 -0.983 -0.271 233 HZ PHE 32 HZ PHE 32 20.442 -0.494 -2.677 234 H CYS 33 H CYS 33 14.517 -5.762 0.819 235 HA CYS 33 HA CYS 33 13.445 -5.242 2.875 236 1HB CYS 33 1HB CYS 33 14.845 -7.545 2.557 237 2HB CYS 33 2HB CYS 33 15.463 -6.968 4.100 238 H SER 34 H SER 34 16.944 -5.275 3.597 239 HA SER 34 HA SER 34 16.799 -3.850 5.982 240 1HB SER 34 1HB SER 34 19.183 -3.256 5.553 241 2HB SER 34 2HB SER 34 18.845 -4.970 5.311 242 HG SER 34 HG SER 34 18.709 -4.519 3.055 243 H SER 35 H SER 35 17.627 -2.524 2.748 244 HA SER 35 HA SER 35 17.141 0.168 3.718 245 1HB SER 35 1HB SER 35 18.836 -0.859 1.788 246 2HB SER 35 2HB SER 35 17.571 -0.084 0.836 247 HG SER 35 HG SER 35 18.875 1.195 2.998 248 H ARG 36 H ARG 36 16.083 -1.089 0.541 249 HA ARG 36 HA ARG 36 13.640 0.366 0.736 250 1HB ARG 36 1HB ARG 36 13.924 -1.878 -1.213 251 2HB ARG 36 2HB ARG 36 13.160 -0.330 -1.412 252 1HG ARG 36 1HG ARG 36 16.058 -0.197 -1.024 253 2HG ARG 36 2HG ARG 36 15.524 -1.004 -2.497 254 1HD ARG 36 1HD ARG 36 14.333 1.620 -1.721 255 2HD ARG 36 2HD ARG 36 15.917 1.567 -2.495 256 HE ARG 36 HE ARG 36 13.373 1.086 -3.728 257 1HH1 ARG 36 1HH1 ARG 36 16.788 0.387 -3.895 258 2HH1 ARG 36 2HH1 ARG 36 16.764 0.052 -5.593 259 1HH2 ARG 36 1HH2 ARG 36 13.339 0.645 -5.962 260 2HH2 ARG 36 2HH2 ARG 36 14.806 0.197 -6.767 261 H GLY 37 H GLY 37 13.805 -3.178 0.026 262 1HA GLY 37 1HA GLY 37 12.490 -3.755 2.497 263 2HA GLY 37 2HA GLY 37 12.833 -4.881 1.200 264 H LYS 38 H LYS 38 10.473 -4.345 2.949 265 HA LYS 38 HA LYS 38 8.556 -5.281 1.332 266 1HB LYS 38 1HB LYS 38 7.456 -3.444 3.298 267 2HB LYS 38 2HB LYS 38 7.154 -5.147 3.037 268 1HG LYS 38 1HG LYS 38 9.290 -5.649 4.189 269 2HG LYS 38 2HG LYS 38 9.449 -3.930 4.553 270 1HD LYS 38 1HD LYS 38 7.275 -4.028 5.737 271 2HD LYS 38 2HD LYS 38 7.232 -5.768 5.449 272 1HE LYS 38 1HE LYS 38 9.749 -5.225 6.569 273 2HE LYS 38 2HE LYS 38 8.586 -4.293 7.510 274 1HZ LYS 38 1HZ LYS 38 7.326 -6.629 7.331 275 2HZ LYS 38 2HZ LYS 38 8.930 -7.166 7.312 276 3HZ LYS 38 3HZ LYS 38 8.367 -6.229 8.602 277 H VAL 39 H VAL 39 8.041 -4.566 -0.573 278 HA VAL 39 HA VAL 39 7.809 -1.807 -1.248 279 HB VAL 39 HB VAL 39 6.610 -4.179 -2.681 280 1HG1 VAL 39 1HG1 VAL 39 5.813 -1.805 -3.208 281 2HG1 VAL 39 2HG1 VAL 39 7.409 -1.577 -3.923 282 3HG1 VAL 39 3HG1 VAL 39 6.331 -2.824 -4.553 283 1HG2 VAL 39 1HG2 VAL 39 9.149 -4.172 -2.271 284 2HG2 VAL 39 2HG2 VAL 39 8.558 -4.451 -3.910 285 3HG2 VAL 39 3HG2 VAL 39 9.180 -2.864 -3.454 286 H VAL 40 H VAL 40 6.014 -0.520 -1.152 287 HA VAL 40 HA VAL 40 3.653 -1.721 0.112 288 HB VAL 40 HB VAL 40 4.469 1.183 0.075 289 1HG1 VAL 40 1HG1 VAL 40 2.137 -0.295 1.124 290 2HG1 VAL 40 2HG1 VAL 40 2.836 0.932 2.182 291 3HG1 VAL 40 3HG1 VAL 40 2.270 1.375 0.571 292 1HG2 VAL 40 1HG2 VAL 40 5.206 -1.071 1.822 293 2HG2 VAL 40 2HG2 VAL 40 6.054 0.439 1.495 294 3HG2 VAL 40 3HG2 VAL 40 4.721 0.411 2.647 295 H GLU 41 H GLU 41 1.885 -1.929 -0.994 296 HA GLU 41 HA GLU 41 1.438 -0.251 -3.374 297 1HB GLU 41 1HB GLU 41 1.654 -2.920 -3.432 298 2HB GLU 41 2HB GLU 41 -0.052 -2.805 -3.021 299 1HG GLU 41 1HG GLU 41 -0.428 -1.413 -5.000 300 2HG GLU 41 2HG GLU 41 1.280 -1.558 -5.415 301 H LEU 42 H LEU 42 -0.827 0.316 -3.798 302 HA LEU 42 HA LEU 42 -2.605 0.162 -1.487 303 1HB LEU 42 1HB LEU 42 -1.038 2.432 -2.102 304 2HB LEU 42 2HB LEU 42 -2.690 2.836 -2.510 305 HG LEU 42 HG LEU 42 -3.419 2.384 -0.262 306 1HD1 LEU 42 1HD1 LEU 42 -0.632 1.341 0.076 307 2HD1 LEU 42 2HD1 LEU 42 -1.590 1.871 1.458 308 3HD1 LEU 42 3HD1 LEU 42 -2.163 0.548 0.443 309 1HD2 LEU 42 1HD2 LEU 42 -2.410 4.594 -0.790 310 2HD2 LEU 42 2HD2 LEU 42 -2.285 4.141 0.910 311 3HD2 LEU 42 3HD2 LEU 42 -0.879 3.999 -0.145 312 H GLY 43 H GLY 43 -4.746 0.171 -1.981 313 1HA GLY 43 1HA GLY 43 -5.543 -0.416 -4.621 314 2HA GLY 43 2HA GLY 43 -5.907 1.267 -4.284 315 H CYS 44 H CYS 44 -8.118 0.357 -4.747 316 HA CYS 44 HA CYS 44 -9.306 -0.589 -2.222 317 1HB CYS 44 1HB CYS 44 -9.923 1.723 -3.007 318 2HB CYS 44 2HB CYS 44 -10.701 0.972 -4.396 319 H ALA 45 H ALA 45 -10.856 -2.229 -2.278 320 HA ALA 45 HA ALA 45 -11.755 -3.334 -4.788 321 1HB ALA 45 1HB ALA 45 -10.350 -5.023 -5.008 322 2HB ALA 45 2HB ALA 45 -9.408 -4.377 -3.667 323 3HB ALA 45 3HB ALA 45 -10.680 -5.560 -3.361 324 H ALA 46 H ALA 46 -12.672 -5.791 -3.932 325 HA ALA 46 HA ALA 46 -14.468 -5.027 -1.725 326 1HB ALA 46 1HB ALA 46 -16.151 -5.104 -3.147 327 2HB ALA 46 2HB ALA 46 -15.097 -5.683 -4.436 328 3HB ALA 46 3HB ALA 46 -15.864 -6.833 -3.341 329 H THR 47 H THR 47 -12.036 -7.141 -2.322 330 HA THR 47 HA THR 47 -12.985 -8.987 -0.325 331 HB THR 47 HB THR 47 -12.247 -10.267 -2.866 332 HG1 THR 47 HG1 THR 47 -13.901 -9.261 -3.725 333 1HG2 THR 47 1HG2 THR 47 -12.708 -11.417 -0.574 334 2HG2 THR 47 2HG2 THR 47 -14.391 -11.221 -1.062 335 3HG2 THR 47 3HG2 THR 47 -13.279 -12.138 -2.078 336 H CYS 48 H CYS 48 -10.490 -7.347 -1.488 337 HA CYS 48 HA CYS 48 -8.318 -8.852 -1.899 338 1HB CYS 48 1HB CYS 48 -7.661 -6.873 0.116 339 2HB CYS 48 2HB CYS 48 -7.073 -7.051 -1.523 340 HA PRO 49 HA PRO 49 -8.167 -11.271 1.905 341 1HB PRO 49 1HB PRO 49 -7.738 -13.643 0.790 342 2HB PRO 49 2HB PRO 49 -9.330 -12.881 0.692 343 1HG PRO 49 1HG PRO 49 -7.236 -13.163 -1.393 344 2HG PRO 49 2HG PRO 49 -8.997 -13.121 -1.565 345 1HD PRO 49 1HD PRO 49 -7.172 -10.971 -1.945 346 2HD PRO 49 2HD PRO 49 -8.944 -10.893 -1.968 347 H SER 50 H SER 50 -6.407 -13.298 2.213 348 HA SER 50 HA SER 50 -3.790 -12.353 1.297 349 1HB SER 50 1HB SER 50 -3.169 -13.005 3.858 350 2HB SER 50 2HB SER 50 -3.518 -11.361 3.322 351 HG SER 50 HG SER 50 -5.686 -11.696 3.969 352 H LYS 51 H LYS 51 -2.115 -13.934 1.400 353 HA LYS 51 HA LYS 51 -2.649 -16.583 2.303 354 1HB LYS 51 1HB LYS 51 -3.472 -15.947 -0.309 355 2HB LYS 51 2HB LYS 51 -2.056 -16.973 -0.445 356 1HG LYS 51 1HG LYS 51 -3.205 -18.782 0.118 357 2HG LYS 51 2HG LYS 51 -3.886 -17.985 1.537 358 1HD LYS 51 1HD LYS 51 -5.743 -18.539 0.211 359 2HD LYS 51 2HD LYS 51 -5.474 -16.821 -0.088 360 1HE LYS 51 1HE LYS 51 -3.982 -18.532 -1.910 361 2HE LYS 51 2HE LYS 51 -5.723 -18.793 -2.003 362 1HZ LYS 51 1HZ LYS 51 -4.396 -16.146 -2.223 363 2HZ LYS 51 2HZ LYS 51 -4.934 -17.067 -3.535 364 3HZ LYS 51 3HZ LYS 51 -6.047 -16.460 -2.414 365 H LYS 52 H LYS 52 -0.664 -14.622 2.735 366 HA LYS 52 HA LYS 52 1.654 -16.227 2.544 367 1HB LYS 52 1HB LYS 52 1.185 -14.292 0.396 368 2HB LYS 52 2HB LYS 52 2.741 -14.093 1.186 369 1HG LYS 52 1HG LYS 52 2.835 -16.715 0.838 370 2HG LYS 52 2HG LYS 52 1.719 -16.327 -0.472 371 1HD LYS 52 1HD LYS 52 3.434 -15.689 -1.734 372 2HD LYS 52 2HD LYS 52 3.830 -14.436 -0.557 373 1HE LYS 52 1HE LYS 52 5.770 -15.541 -0.346 374 2HE LYS 52 2HE LYS 52 4.838 -16.655 0.653 375 1HZ LYS 52 1HZ LYS 52 4.404 -17.956 -1.400 376 2HZ LYS 52 2HZ LYS 52 5.482 -16.950 -2.229 377 3HZ LYS 52 3HZ LYS 52 6.035 -17.914 -0.952 378 HA PRO 53 HA PRO 53 1.645 -13.194 5.991 379 1HB PRO 53 1HB PRO 53 3.206 -15.323 7.298 380 2HB PRO 53 2HB PRO 53 1.725 -14.527 7.835 381 1HG PRO 53 1HG PRO 53 1.726 -17.070 6.974 382 2HG PRO 53 2HG PRO 53 0.363 -15.979 6.666 383 1HD PRO 53 1HD PRO 53 2.572 -16.820 4.824 384 2HD PRO 53 2HD PRO 53 0.837 -16.630 4.490 385 H TYR 54 H TYR 54 3.250 -12.474 4.053 386 HA TYR 54 HA TYR 54 5.486 -11.381 5.194 387 1HB TYR 54 1HB TYR 54 5.957 -14.097 4.805 388 2HB TYR 54 2HB TYR 54 6.816 -13.284 3.509 389 HD1 TYR 54 HD1 TYR 54 9.067 -13.210 4.031 390 HD2 TYR 54 HD2 TYR 54 6.219 -12.358 7.074 391 HE1 TYR 54 HE1 TYR 54 10.895 -12.650 5.577 392 HE2 TYR 54 HE2 TYR 54 8.039 -11.796 8.629 393 HH TYR 54 HH TYR 54 11.317 -12.501 7.955 394 H GLU 55 H GLU 55 3.962 -12.635 2.320 395 HA GLU 55 HA GLU 55 4.782 -10.233 0.889 396 1HB GLU 55 1HB GLU 55 5.312 -13.022 -0.142 397 2HB GLU 55 2HB GLU 55 5.423 -11.566 -1.120 398 1HG GLU 55 1HG GLU 55 7.178 -10.721 0.383 399 2HG GLU 55 2HG GLU 55 7.095 -12.229 1.292 400 H GLU 56 H GLU 56 2.470 -9.885 1.360 401 HA GLU 56 HA GLU 56 0.887 -10.562 -0.921 402 1HB GLU 56 1HB GLU 56 0.687 -12.219 1.392 403 2HB GLU 56 2HB GLU 56 -0.799 -11.304 1.216 404 1HG GLU 56 1HG GLU 56 0.402 -12.800 -1.081 405 2HG GLU 56 2HG GLU 56 -0.663 -13.582 0.085 406 H VAL 57 H VAL 57 -1.598 -9.902 -0.096 407 HA VAL 57 HA VAL 57 -1.315 -7.289 1.218 408 HB VAL 57 HB VAL 57 -1.428 -6.710 -1.062 409 1HG1 VAL 57 1HG1 VAL 57 -3.663 -8.708 -1.313 410 2HG1 VAL 57 2HG1 VAL 57 -3.214 -7.562 -2.577 411 3HG1 VAL 57 3HG1 VAL 57 -2.062 -8.790 -2.049 412 1HG2 VAL 57 1HG2 VAL 57 -2.940 -5.414 0.379 413 2HG2 VAL 57 2HG2 VAL 57 -3.505 -5.499 -1.289 414 3HG2 VAL 57 3HG2 VAL 57 -4.257 -6.506 -0.052 415 H THR 58 H THR 58 -3.364 -6.421 2.004 416 HA THR 58 HA THR 58 -5.471 -8.394 2.453 417 HB THR 58 HB THR 58 -5.175 -7.096 4.931 418 HG1 THR 58 HG1 THR 58 -3.076 -6.586 4.611 419 1HG2 THR 58 1HG2 THR 58 -5.350 -9.738 3.954 420 2HG2 THR 58 2HG2 THR 58 -3.990 -9.665 5.074 421 3HG2 THR 58 3HG2 THR 58 -5.593 -9.153 5.600 422 H CYS 59 H CYS 59 -7.504 -7.505 2.873 423 HA CYS 59 HA CYS 59 -7.663 -4.622 2.387 424 1HB CYS 59 1HB CYS 59 -9.022 -6.768 1.151 425 2HB CYS 59 2HB CYS 59 -10.203 -5.859 2.082 426 H CYS 60 H CYS 60 -9.168 -3.344 3.491 427 HA CYS 60 HA CYS 60 -10.241 -4.517 5.968 428 1HB CYS 60 1HB CYS 60 -9.710 -2.167 6.983 429 2HB CYS 60 2HB CYS 60 -8.446 -3.386 6.894 430 H SER 61 H SER 61 -12.157 -3.599 6.749 431 HA SER 61 HA SER 61 -13.674 -2.173 4.699 432 1HB SER 61 1HB SER 61 -15.664 -2.867 6.014 433 2HB SER 61 2HB SER 61 -14.670 -4.232 5.505 434 HG SER 61 HG SER 61 -14.584 -2.999 8.061 435 H THR 62 H THR 62 -12.182 -0.289 5.555 436 HA THR 62 HA THR 62 -13.942 1.427 7.061 437 HB THR 62 HB THR 62 -11.288 1.647 8.237 438 HG1 THR 62 HG1 THR 62 -11.123 -0.274 9.171 439 1HG2 THR 62 1HG2 THR 62 -13.854 2.245 8.992 440 2HG2 THR 62 2HG2 THR 62 -13.454 0.852 9.997 441 3HG2 THR 62 3HG2 THR 62 -12.428 2.287 10.029 442 H ASP 63 H ASP 63 -13.477 3.648 6.759 443 HA ASP 63 HA ASP 63 -12.239 4.296 4.325 444 1HB ASP 63 1HB ASP 63 -13.969 5.643 5.719 445 2HB ASP 63 2HB ASP 63 -12.555 6.319 6.518 446 H LYS 64 H LYS 64 -10.332 5.479 3.897 447 HA LYS 64 HA LYS 64 -8.004 5.393 3.992 448 1HB LYS 64 1HB LYS 64 -7.198 7.126 5.445 449 2HB LYS 64 2HB LYS 64 -8.788 7.601 4.874 450 1HG LYS 64 1HG LYS 64 -9.561 7.758 6.943 451 2HG LYS 64 2HG LYS 64 -8.991 6.138 7.346 452 1HD LYS 64 1HD LYS 64 -7.982 7.827 8.801 453 2HD LYS 64 2HD LYS 64 -6.765 7.025 7.807 454 1HE LYS 64 1HE LYS 64 -7.619 9.219 6.303 455 2HE LYS 64 2HE LYS 64 -7.470 9.818 7.954 456 1HZ LYS 64 1HZ LYS 64 -5.293 8.165 6.932 457 2HZ LYS 64 2HZ LYS 64 -5.430 9.728 6.301 458 3HZ LYS 64 3HZ LYS 64 -5.242 9.503 7.967 459 H CYS 65 H CYS 65 -8.893 2.988 4.986 460 HA CYS 65 HA CYS 65 -7.602 2.488 7.529 461 1HB CYS 65 1HB CYS 65 -8.672 0.359 7.466 462 2HB CYS 65 2HB CYS 65 -9.843 1.546 6.925 463 H ASN 66 H ASN 66 -6.648 2.407 4.280 464 HA ASN 66 HA ASN 66 -4.572 0.432 4.886 465 1HB ASN 66 1HB ASN 66 -4.521 -0.103 2.561 466 2HB ASN 66 2HB ASN 66 -6.188 -0.176 3.102 467 2HD2 ASN 66 2HD2 ASN 66 -4.504 0.558 0.569 468 1HD2 ASN 66 1HD2 ASN 66 -5.373 1.907 -0.068 469 HA PRO 67 HA PRO 67 -2.450 4.476 3.818 470 1HB PRO 67 1HB PRO 67 -1.926 5.566 6.180 471 2HB PRO 67 2HB PRO 67 -3.539 5.714 5.469 472 1HG PRO 67 1HG PRO 67 -2.580 3.877 7.626 473 2HG PRO 67 2HG PRO 67 -4.109 4.767 7.510 474 1HD PRO 67 1HD PRO 67 -3.751 2.091 6.831 475 2HD PRO 67 2HD PRO 67 -5.089 3.119 6.291 476 H HIS 68 H HIS 68 -0.218 4.744 3.783 477 HA HIS 68 HA HIS 68 1.442 2.579 4.148 478 1HB HIS 68 1HB HIS 68 1.819 5.029 3.103 479 2HB HIS 68 2HB HIS 68 2.679 5.241 4.620 480 HD1 HIS 68 HD1 HIS 68 4.881 3.974 4.917 481 HD2 HIS 68 HD2 HIS 68 3.002 3.205 1.300 482 HE1 HIS 68 HE1 HIS 68 6.587 2.777 3.516 483 HE2 HIS 68 HE2 HIS 68 5.465 2.428 1.290 484 HA PRO 69 HA PRO 69 1.609 2.210 8.596 485 1HB PRO 69 1HB PRO 69 3.810 0.550 8.670 486 2HB PRO 69 2HB PRO 69 2.148 0.009 8.414 487 1HG PRO 69 1HG PRO 69 4.307 0.511 6.410 488 2HG PRO 69 2HG PRO 69 3.106 -0.792 6.465 489 1HD PRO 69 1HD PRO 69 2.833 1.307 4.813 490 2HD PRO 69 2HD PRO 69 1.429 0.547 5.593 491 H LYS 70 H LYS 70 4.100 3.472 6.576 492 HA LYS 70 HA LYS 70 5.594 4.419 8.920 493 1HB LYS 70 1HB LYS 70 6.375 4.082 6.030 494 2HB LYS 70 2HB LYS 70 7.337 5.039 7.147 495 1HG LYS 70 1HG LYS 70 6.641 2.350 8.097 496 2HG LYS 70 2HG LYS 70 7.692 2.401 6.681 497 1HD LYS 70 1HD LYS 70 9.030 4.150 8.056 498 2HD LYS 70 2HD LYS 70 8.171 3.467 9.438 499 1HE LYS 70 1HE LYS 70 9.185 1.342 7.817 500 2HE LYS 70 2HE LYS 70 10.487 2.481 8.155 501 1HZ LYS 70 1HZ LYS 70 8.724 1.289 10.225 502 2HZ LYS 70 2HZ LYS 70 10.268 0.715 9.837 503 3HZ LYS 70 3HZ LYS 70 10.081 2.263 10.492 504 H GLN 71 H GLN 71 3.050 5.558 7.940 505 HA GLN 71 HA GLN 71 3.883 8.173 6.929 506 1HB GLN 71 1HB GLN 71 1.425 6.596 6.847 507 2HB GLN 71 2HB GLN 71 1.135 8.271 7.288 508 1HG GLN 71 1HG GLN 71 2.582 8.843 5.246 509 2HG GLN 71 2HG GLN 71 2.310 7.167 4.771 510 2HE2 GLN 71 2HE2 GLN 71 1.036 7.500 3.031 511 1HE2 GLN 71 1HE2 GLN 71 -0.526 8.236 3.097 512 H ARG 72 H ARG 72 4.828 7.737 9.440 513 HA ARG 72 HA ARG 72 3.051 8.702 11.461 514 1HB ARG 72 1HB ARG 72 6.042 8.770 11.701 515 2HB ARG 72 2HB ARG 72 4.843 8.493 12.955 516 1HG ARG 72 1HG ARG 72 5.716 6.591 10.797 517 2HG ARG 72 2HG ARG 72 5.940 6.431 12.540 518 1HD ARG 72 1HD ARG 72 3.331 6.338 11.031 519 2HD ARG 72 2HD ARG 72 4.144 4.988 11.821 520 HE ARG 72 HE ARG 72 3.568 7.118 13.634 521 1HH1 ARG 72 1HH1 ARG 72 2.187 4.353 12.014 522 2HH1 ARG 72 2HH1 ARG 72 0.970 4.097 13.219 523 1HH2 ARG 72 1HH2 ARG 72 1.969 6.783 15.221 524 2HH2 ARG 72 2HH2 ARG 72 0.846 5.477 15.040 525 HA PRO 73 HA PRO 73 3.570 13.014 10.393 526 1HB PRO 73 1HB PRO 73 2.104 14.062 12.404 527 2HB PRO 73 2HB PRO 73 1.364 13.255 11.017 528 1HG PRO 73 1HG PRO 73 1.902 12.190 13.762 529 2HG PRO 73 2HG PRO 73 0.456 12.002 12.753 530 1HD PRO 73 1HD PRO 73 2.362 10.077 12.985 531 2HD PRO 73 2HD PRO 73 1.387 10.300 11.519 532 H GLY 74 H GLY 74 3.788 15.077 12.088 533 1HA GLY 74 1HA GLY 74 5.767 16.087 12.939 534 2HA GLY 74 2HA GLY 74 6.320 14.501 13.455 535 H1 TRP 75 H1 TRP 75 5.025 0.518 -10.709 536 H2 TRP 75 H2 TRP 75 6.165 1.249 -11.765 537 H3 TRP 75 H3 TRP 75 6.636 0.788 -10.183 538 HA TRP 75 HA TRP 75 6.363 3.055 -10.097 539 1HB TRP 75 1HB TRP 75 5.076 3.027 -12.304 540 2HB TRP 75 2HB TRP 75 3.631 2.740 -11.341 541 HD1 TRP 75 HD1 TRP 75 3.608 4.752 -9.131 542 HE1 TRP 75 HE1 TRP 75 3.690 7.294 -9.520 543 HE3 TRP 75 HE3 TRP 75 5.653 4.792 -13.818 544 HZ2 TRP 75 HZ2 TRP 75 4.517 9.081 -11.542 545 HZ3 TRP 75 HZ3 TRP 75 6.058 6.960 -14.908 546 HH2 TRP 75 HH2 TRP 75 5.501 9.059 -13.793 547 H ARG 76 H ARG 76 6.385 2.135 -7.933 548 HA ARG 76 HA ARG 76 3.852 2.628 -6.580 549 1HB ARG 76 1HB ARG 76 3.831 0.575 -5.362 550 2HB ARG 76 2HB ARG 76 3.950 0.169 -7.068 551 1HG ARG 76 1HG ARG 76 6.433 0.369 -5.427 552 2HG ARG 76 2HG ARG 76 5.410 -1.061 -5.307 553 1HD ARG 76 1HD ARG 76 5.653 -1.522 -7.632 554 2HD ARG 76 2HD ARG 76 6.457 0.022 -7.912 555 HE ARG 76 HE ARG 76 8.131 -1.091 -6.185 556 1HH1 ARG 76 1HH1 ARG 76 6.583 -2.473 -8.997 557 2HH1 ARG 76 2HH1 ARG 76 7.860 -3.602 -9.295 558 1HH2 ARG 76 1HH2 ARG 76 9.807 -2.576 -6.581 559 2HH2 ARG 76 2HH2 ARG 76 9.690 -3.660 -7.927 560 H TYR 77 H TYR 77 4.547 1.855 -4.035 561 HA TYR 77 HA TYR 77 6.959 3.481 -3.535 562 1HB TYR 77 1HB TYR 77 4.613 3.250 -1.659 563 2HB TYR 77 2HB TYR 77 5.961 4.373 -1.562 564 HD1 TYR 77 HD1 TYR 77 3.302 3.453 -4.045 565 HD2 TYR 77 HD2 TYR 77 5.523 6.546 -2.148 566 HE1 TYR 77 HE1 TYR 77 2.025 5.136 -5.302 567 HE2 TYR 77 HE2 TYR 77 4.246 8.235 -3.397 568 HH TYR 77 HH TYR 77 1.402 7.591 -4.973 569 H TYR 78 H TYR 78 8.202 2.887 -1.685 570 HA TYR 78 HA TYR 78 7.913 0.058 -1.017 571 1HB TYR 78 1HB TYR 78 10.367 1.827 -0.965 572 2HB TYR 78 2HB TYR 78 10.340 0.142 -0.485 573 HD1 TYR 78 HD1 TYR 78 11.591 -1.026 -2.033 574 HD2 TYR 78 HD2 TYR 78 8.786 1.839 -3.454 575 HE1 TYR 78 HE1 TYR 78 12.040 -1.731 -4.344 576 HE2 TYR 78 HE2 TYR 78 9.224 1.132 -5.758 577 HH TYR 78 HH TYR 78 10.109 -0.655 -7.006 578 H GLU 79 H GLU 79 8.698 -0.500 1.224 579 HA GLU 79 HA GLU 79 7.131 0.911 3.086 580 1HB GLU 79 1HB GLU 79 7.522 -1.420 3.432 581 2HB GLU 79 2HB GLU 79 9.265 -1.193 3.446 582 1HG GLU 79 1HG GLU 79 8.559 -1.560 5.681 583 2HG GLU 79 2HG GLU 79 9.002 0.139 5.536 584 H SER 80 H SER 80 10.670 0.665 2.845 585 HA SER 80 HA SER 80 11.295 2.360 4.950 586 1HB SER 80 1HB SER 80 12.692 1.026 2.885 587 2HB SER 80 2HB SER 80 13.286 2.680 2.983 588 HG SER 80 HG SER 80 13.636 2.339 5.213 589 H SER 81 H SER 81 10.363 3.162 1.673 590 HA SER 81 HA SER 81 10.568 6.003 2.402 591 1HB SER 81 1HB SER 81 10.889 6.083 -0.292 592 2HB SER 81 2HB SER 81 12.223 6.071 0.857 593 HG SER 81 HG SER 81 11.093 3.695 -0.178 594 H LEU 82 H LEU 82 8.786 7.116 2.201 595 HA LEU 82 HA LEU 82 6.414 5.907 1.099 596 1HB LEU 82 1HB LEU 82 7.084 8.184 2.822 597 2HB LEU 82 2HB LEU 82 5.660 8.390 1.815 598 HG LEU 82 HG LEU 82 4.855 6.170 2.718 599 1HD1 LEU 82 1HD1 LEU 82 7.206 6.636 4.518 600 2HD1 LEU 82 2HD1 LEU 82 5.813 5.678 5.019 601 3HD1 LEU 82 3HD1 LEU 82 6.770 5.179 3.625 602 1HD2 LEU 82 1HD2 LEU 82 5.148 8.672 4.292 603 2HD2 LEU 82 2HD2 LEU 82 3.720 7.993 3.511 604 3HD2 LEU 82 3HD2 LEU 82 4.338 7.274 4.998 605 H GLU 83 H GLU 83 8.874 7.300 -0.430 606 HA GLU 83 HA GLU 83 7.437 9.198 -2.066 607 1HB GLU 83 1HB GLU 83 10.264 8.186 -1.985 608 2HB GLU 83 2HB GLU 83 9.689 9.140 -3.343 609 1HG GLU 83 1HG GLU 83 9.520 10.057 -0.487 610 2HG GLU 83 2HG GLU 83 10.881 10.415 -1.549 611 HA PRO 84 HA PRO 84 6.462 6.460 -5.391 612 1HB PRO 84 1HB PRO 84 7.223 8.287 -7.487 613 2HB PRO 84 2HB PRO 84 5.610 7.971 -6.847 614 1HG PRO 84 1HG PRO 84 6.954 10.347 -6.539 615 2HG PRO 84 2HG PRO 84 5.678 9.775 -5.451 616 1HD PRO 84 1HD PRO 84 8.650 9.665 -5.112 617 2HD PRO 84 2HD PRO 84 7.391 10.017 -3.910 618 H TYR 85 H TYR 85 7.431 4.813 -6.402 619 HA TYR 85 HA TYR 85 10.207 5.189 -7.308 620 1HB TYR 85 1HB TYR 85 8.992 3.101 -5.579 621 2HB TYR 85 2HB TYR 85 10.234 2.587 -6.716 622 HD1 TYR 85 HD1 TYR 85 12.296 2.352 -5.695 623 HD2 TYR 85 HD2 TYR 85 9.773 5.558 -4.473 624 HE1 TYR 85 HE1 TYR 85 14.038 3.129 -4.144 625 HE2 TYR 85 HE2 TYR 85 11.509 6.335 -2.917 626 HH TYR 85 HH TYR 85 14.330 5.946 -2.963 627 HA PRO 86 HA PRO 86 7.967 3.699 -10.994 628 1HB PRO 86 1HB PRO 86 9.439 5.031 -12.800 629 2HB PRO 86 2HB PRO 86 8.183 5.837 -11.853 630 1HG PRO 86 1HG PRO 86 11.148 5.816 -11.439 631 2HG PRO 86 2HG PRO 86 10.014 7.174 -11.328 632 1HD PRO 86 1HD PRO 86 10.956 5.805 -9.155 633 2HD PRO 86 2HD PRO 86 9.387 6.634 -9.190 634 H ASP 87 H ASP 87 8.791 1.563 -10.588 635 HA ASP 87 HA ASP 87 11.482 0.928 -11.453 636 1HB ASP 87 1HB ASP 87 10.929 -1.366 -10.774 637 2HB ASP 87 2HB ASP 87 10.539 -0.215 -9.499 No H/Q in entry = 637 Start of MODEL 5 1 H1 ILE 1 H1 ILE 1 -16.992 4.146 -0.709 2 H2 ILE 1 H2 ILE 1 -17.990 3.744 0.628 3 H3 ILE 1 H3 ILE 1 -17.716 5.388 0.227 4 HA ILE 1 HA ILE 1 -16.341 5.086 1.975 5 HB ILE 1 HB ILE 1 -16.668 2.676 2.155 6 1HG1 ILE 1 1HG1 ILE 1 -13.758 3.449 2.168 7 2HG1 ILE 1 2HG1 ILE 1 -14.902 3.791 3.459 8 1HG2 ILE 1 1HG2 ILE 1 -15.630 2.600 -0.427 9 2HG2 ILE 1 2HG2 ILE 1 -14.434 1.791 0.586 10 3HG2 ILE 1 3HG2 ILE 1 -16.105 1.228 0.574 11 1HD1 ILE 1 1HD1 ILE 1 -15.134 1.072 3.100 12 2HD1 ILE 1 2HD1 ILE 1 -13.410 1.378 2.884 13 3HD1 ILE 1 3HD1 ILE 1 -14.218 1.887 4.367 14 H VAL 2 H VAL 2 -14.055 5.415 2.165 15 HA VAL 2 HA VAL 2 -12.785 5.920 -0.435 16 HB VAL 2 HB VAL 2 -12.368 7.529 2.090 17 1HG1 VAL 2 1HG1 VAL 2 -10.723 7.283 -0.101 18 2HG1 VAL 2 2HG1 VAL 2 -11.649 8.739 -0.459 19 3HG1 VAL 2 3HG1 VAL 2 -10.730 8.624 1.042 20 1HG2 VAL 2 1HG2 VAL 2 -14.027 8.151 -0.351 21 2HG2 VAL 2 2HG2 VAL 2 -14.613 7.898 1.293 22 3HG2 VAL 2 3HG2 VAL 2 -13.626 9.310 0.916 23 H CYS 3 H CYS 3 -10.640 5.377 -0.678 24 HA CYS 3 HA CYS 3 -9.230 4.265 1.635 25 1HB CYS 3 1HB CYS 3 -9.619 2.837 -1.002 26 2HB CYS 3 2HB CYS 3 -8.500 2.318 0.251 27 H HIS 4 H HIS 4 -6.905 3.780 1.058 28 HA HIS 4 HA HIS 4 -5.869 6.053 -0.456 29 1HB HIS 4 1HB HIS 4 -4.351 4.147 1.325 30 2HB HIS 4 2HB HIS 4 -3.791 5.698 0.711 31 HD1 HIS 4 HD1 HIS 4 -5.494 7.772 1.550 32 HD2 HIS 4 HD2 HIS 4 -5.254 4.330 3.860 33 HE1 HIS 4 HE1 HIS 4 -6.321 8.431 3.828 34 HE2 HIS 4 HE2 HIS 4 -5.991 6.378 5.248 35 H THR 5 H THR 5 -4.712 5.872 -2.282 36 HA THR 5 HA THR 5 -4.027 3.158 -3.189 37 HB THR 5 HB THR 5 -5.978 4.622 -4.333 38 HG1 THR 5 HG1 THR 5 -5.946 3.020 -5.687 39 1HG2 THR 5 1HG2 THR 5 -3.519 5.262 -5.946 40 2HG2 THR 5 2HG2 THR 5 -5.191 5.533 -6.447 41 3HG2 THR 5 3HG2 THR 5 -4.527 6.424 -5.077 42 H THR 6 H THR 6 -2.252 2.981 -4.601 43 HA THR 6 HA THR 6 -0.393 5.261 -4.568 44 HB THR 6 HB THR 6 1.379 3.340 -4.383 45 HG1 THR 6 HG1 THR 6 0.350 1.511 -4.203 46 1HG2 THR 6 1HG2 THR 6 -0.109 4.737 -2.264 47 2HG2 THR 6 2HG2 THR 6 0.873 3.359 -1.768 48 3HG2 THR 6 3HG2 THR 6 1.620 4.711 -2.617 49 H ALA 7 H ALA 7 -2.214 3.851 -6.617 50 HA ALA 7 HA ALA 7 -0.425 2.664 -8.513 51 1HB ALA 7 1HB ALA 7 -3.016 3.688 -9.474 52 2HB ALA 7 2HB ALA 7 -2.278 2.098 -9.667 53 3HB ALA 7 3HB ALA 7 -3.088 2.517 -8.158 54 H THR 8 H THR 8 -1.621 5.868 -7.895 55 HA THR 8 HA THR 8 -0.780 6.934 -10.447 56 HB THR 8 HB THR 8 -1.918 8.815 -9.861 57 HG1 THR 8 HG1 THR 8 -1.237 8.617 -7.131 58 1HG2 THR 8 1HG2 THR 8 -3.270 6.747 -8.904 59 2HG2 THR 8 2HG2 THR 8 -2.983 7.598 -7.384 60 3HG2 THR 8 3HG2 THR 8 -3.823 8.410 -8.709 61 H SER 9 H SER 9 0.531 9.249 -9.959 62 HA SER 9 HA SER 9 3.146 8.340 -9.281 63 1HB SER 9 1HB SER 9 2.100 10.561 -10.632 64 2HB SER 9 2HB SER 9 2.951 11.221 -9.238 65 HG SER 9 HG SER 9 4.815 10.321 -9.936 66 HA PRO 10 HA PRO 10 2.517 10.620 -5.196 67 1HB PRO 10 1HB PRO 10 0.332 12.362 -5.062 68 2HB PRO 10 2HB PRO 10 2.008 12.815 -5.343 69 1HG PRO 10 1HG PRO 10 -0.109 13.078 -7.172 70 2HG PRO 10 2HG PRO 10 1.617 13.215 -7.545 71 1HD PRO 10 1HD PRO 10 -0.222 10.892 -7.897 72 2HD PRO 10 2HD PRO 10 1.137 11.415 -8.906 73 H ILE 11 H ILE 11 1.525 9.797 -3.363 74 HA ILE 11 HA ILE 11 -0.628 7.962 -3.826 75 HB ILE 11 HB ILE 11 -0.359 7.291 -1.543 76 1HG1 ILE 11 1HG1 ILE 11 1.544 9.618 -1.241 77 2HG1 ILE 11 2HG1 ILE 11 -0.072 9.527 -0.541 78 1HG2 ILE 11 1HG2 ILE 11 1.304 6.619 -3.311 79 2HG2 ILE 11 2HG2 ILE 11 2.394 7.819 -2.615 80 3HG2 ILE 11 3HG2 ILE 11 1.846 6.455 -1.640 81 1HD1 ILE 11 1HD1 ILE 11 1.620 7.249 0.099 82 2HD1 ILE 11 2HD1 ILE 11 2.227 8.791 0.704 83 3HD1 ILE 11 3HD1 ILE 11 0.608 8.246 1.144 84 H SER 12 H SER 12 -2.730 8.188 -3.412 85 HA SER 12 HA SER 12 -3.652 10.309 -1.638 86 1HB SER 12 1HB SER 12 -5.368 10.935 -3.496 87 2HB SER 12 2HB SER 12 -3.738 11.600 -3.579 88 HG SER 12 HG SER 12 -3.217 9.974 -5.078 89 H ALA 13 H ALA 13 -6.223 10.264 -1.744 90 HA ALA 13 HA ALA 13 -7.140 7.481 -1.893 91 1HB ALA 13 1HB ALA 13 -6.806 9.070 0.520 92 2HB ALA 13 2HB ALA 13 -8.448 8.453 0.336 93 3HB ALA 13 3HB ALA 13 -7.082 7.339 0.337 94 H VAL 14 H VAL 14 -9.319 7.217 -2.373 95 HA VAL 14 HA VAL 14 -10.998 9.591 -2.619 96 HB VAL 14 HB VAL 14 -9.678 9.007 -4.827 97 1HG1 VAL 14 1HG1 VAL 14 -10.586 6.616 -4.691 98 2HG1 VAL 14 2HG1 VAL 14 -12.109 7.305 -5.253 99 3HG1 VAL 14 3HG1 VAL 14 -10.660 7.433 -6.254 100 1HG2 VAL 14 1HG2 VAL 14 -11.887 10.487 -4.222 101 2HG2 VAL 14 2HG2 VAL 14 -11.084 10.456 -5.793 102 3HG2 VAL 14 3HG2 VAL 14 -12.487 9.428 -5.498 103 H THR 15 H THR 15 -13.151 8.769 -3.767 104 HA THR 15 HA THR 15 -14.173 6.676 -2.037 105 HB THR 15 HB THR 15 -16.096 7.767 -3.906 106 HG1 THR 15 HG1 THR 15 -14.768 9.664 -2.277 107 1HG2 THR 15 1HG2 THR 15 -16.548 6.774 -1.644 108 2HG2 THR 15 2HG2 THR 15 -15.921 8.272 -0.957 109 3HG2 THR 15 3HG2 THR 15 -17.350 8.306 -1.989 110 H CYS 16 H CYS 16 -13.679 4.693 -2.804 111 HA CYS 16 HA CYS 16 -13.449 4.015 -5.527 112 1HB CYS 16 1HB CYS 16 -14.193 1.894 -3.566 113 2HB CYS 16 2HB CYS 16 -12.993 1.867 -4.846 114 HA PRO 17 HA PRO 17 -17.691 3.630 -6.739 115 1HB PRO 17 1HB PRO 17 -17.374 1.888 -8.814 116 2HB PRO 17 2HB PRO 17 -16.981 3.606 -8.924 117 1HG PRO 17 1HG PRO 17 -15.167 1.272 -8.457 118 2HG PRO 17 2HG PRO 17 -14.926 2.687 -9.500 119 1HD PRO 17 1HD PRO 17 -13.771 2.481 -7.072 120 2HD PRO 17 2HD PRO 17 -14.304 4.040 -7.733 121 HA PRO 18 HA PRO 18 -19.757 0.061 -5.141 122 1HB PRO 18 1HB PRO 18 -20.575 -1.249 -7.530 123 2HB PRO 18 2HB PRO 18 -21.536 -0.174 -6.514 124 1HG PRO 18 1HG PRO 18 -20.055 0.411 -9.017 125 2HG PRO 18 2HG PRO 18 -21.521 1.169 -8.371 126 1HD PRO 18 1HD PRO 18 -19.162 2.431 -8.311 127 2HD PRO 18 2HD PRO 18 -20.320 2.586 -6.974 128 H GLY 19 H GLY 19 -17.462 -0.408 -7.739 129 1HA GLY 19 1HA GLY 19 -15.855 -2.000 -8.089 130 2HA GLY 19 2HA GLY 19 -17.090 -3.162 -7.630 131 H GLU 20 H GLU 20 -15.253 -0.657 -5.837 132 HA GLU 20 HA GLU 20 -14.425 -2.795 -3.977 133 1HB GLU 20 1HB GLU 20 -12.934 -0.219 -4.202 134 2HB GLU 20 2HB GLU 20 -12.355 -1.798 -3.697 135 1HG GLU 20 1HG GLU 20 -11.475 -2.013 -5.714 136 2HG GLU 20 2HG GLU 20 -13.116 -2.164 -6.336 137 H ASN 21 H ASN 21 -14.748 -2.550 -1.877 138 HA ASN 21 HA ASN 21 -15.912 -0.031 -0.921 139 1HB ASN 21 1HB ASN 21 -17.090 -2.621 -0.975 140 2HB ASN 21 2HB ASN 21 -16.884 -2.117 0.691 141 2HD2 ASN 21 2HD2 ASN 21 -19.325 -2.408 0.167 142 1HD2 ASN 21 1HD2 ASN 21 -20.145 -0.936 -0.186 143 H LEU 22 H LEU 22 -13.610 -2.519 -0.495 144 HA LEU 22 HA LEU 22 -12.995 -1.613 2.223 145 1HB LEU 22 1HB LEU 22 -12.025 -4.087 0.809 146 2HB LEU 22 2HB LEU 22 -11.850 -3.702 2.501 147 HG LEU 22 HG LEU 22 -14.577 -3.990 1.306 148 1HD1 LEU 22 1HD1 LEU 22 -13.064 -5.995 0.803 149 2HD1 LEU 22 2HD1 LEU 22 -13.113 -6.296 2.540 150 3HD1 LEU 22 3HD1 LEU 22 -14.606 -6.302 1.602 151 1HD2 LEU 22 1HD2 LEU 22 -13.386 -4.230 4.056 152 2HD2 LEU 22 2HD2 LEU 22 -14.610 -3.095 3.486 153 3HD2 LEU 22 3HD2 LEU 22 -15.008 -4.804 3.667 154 H CYS 23 H CYS 23 -10.690 -1.515 2.792 155 HA CYS 23 HA CYS 23 -9.107 -0.383 0.583 156 1HB CYS 23 1HB CYS 23 -8.596 -0.069 3.543 157 2HB CYS 23 2HB CYS 23 -7.889 0.865 2.233 158 H TYR 24 H TYR 24 -6.732 -0.814 0.658 159 HA TYR 24 HA TYR 24 -5.941 -3.153 2.163 160 1HB TYR 24 1HB TYR 24 -5.537 -4.631 0.431 161 2HB TYR 24 2HB TYR 24 -7.057 -3.894 -0.047 162 HD1 TYR 24 HD1 TYR 24 -3.356 -3.396 -0.584 163 HD2 TYR 24 HD2 TYR 24 -7.285 -3.207 -2.229 164 HE1 TYR 24 HE1 TYR 24 -2.409 -2.834 -2.773 165 HE2 TYR 24 HE2 TYR 24 -6.337 -2.635 -4.423 166 HH TYR 24 HH TYR 24 -4.321 -1.701 -5.373 167 H ARG 25 H ARG 25 -3.809 -3.416 2.447 168 HA ARG 25 HA ARG 25 -1.957 -1.583 1.108 169 1HB ARG 25 1HB ARG 25 -2.652 -0.668 3.364 170 2HB ARG 25 2HB ARG 25 -1.909 -2.086 4.089 171 1HG ARG 25 1HG ARG 25 0.133 -1.215 2.570 172 2HG ARG 25 2HG ARG 25 -0.672 0.315 2.922 173 1HD ARG 25 1HD ARG 25 0.418 -1.700 4.873 174 2HD ARG 25 2HD ARG 25 0.939 -0.032 4.633 175 HE ARG 25 HE ARG 25 -1.658 0.222 5.357 176 1HH1 ARG 25 1HH1 ARG 25 1.067 -1.447 6.760 177 2HH1 ARG 25 2HH1 ARG 25 0.498 -1.269 8.386 178 1HH2 ARG 25 1HH2 ARG 25 -2.409 0.456 7.493 179 2HH2 ARG 25 2HH2 ARG 25 -1.477 -0.189 8.803 180 H LYS 26 H LYS 26 -0.579 -2.906 0.097 181 HA LYS 26 HA LYS 26 -0.055 -5.550 1.198 182 1HB LYS 26 1HB LYS 26 -0.529 -5.151 -1.241 183 2HB LYS 26 2HB LYS 26 1.035 -4.372 -1.349 184 1HG LYS 26 1HG LYS 26 1.290 -6.941 -0.097 185 2HG LYS 26 2HG LYS 26 0.456 -7.087 -1.644 186 1HD LYS 26 1HD LYS 26 2.693 -5.293 -1.883 187 2HD LYS 26 2HD LYS 26 3.216 -6.833 -1.200 188 1HE LYS 26 1HE LYS 26 3.404 -7.196 -3.482 189 2HE LYS 26 2HE LYS 26 1.824 -7.883 -3.106 190 1HZ LYS 26 1HZ LYS 26 2.174 -5.109 -4.088 191 2HZ LYS 26 2HZ LYS 26 1.929 -6.424 -5.125 192 3HZ LYS 26 3HZ LYS 26 0.742 -6.005 -3.996 193 H MET 27 H MET 27 1.953 -6.354 1.735 194 HA MET 27 HA MET 27 4.221 -4.542 1.768 195 1HB MET 27 1HB MET 27 2.970 -5.680 4.246 196 2HB MET 27 2HB MET 27 4.624 -5.099 4.203 197 1HG MET 27 1HG MET 27 3.881 -2.882 3.616 198 2HG MET 27 2HG MET 27 2.213 -3.439 3.514 199 1HE MET 27 1HE MET 27 4.909 -1.908 5.614 200 2HE MET 27 2HE MET 27 4.602 -2.428 7.271 201 3HE MET 27 3HE MET 27 5.264 -3.566 6.097 202 H TRP 28 H TRP 28 6.082 -5.510 1.456 203 HA TRP 28 HA TRP 28 6.746 -8.141 2.317 204 1HB TRP 28 1HB TRP 28 6.905 -9.273 0.143 205 2HB TRP 28 2HB TRP 28 5.242 -8.842 0.508 206 HD1 TRP 28 HD1 TRP 28 5.534 -5.772 -0.453 207 HE1 TRP 28 HE1 TRP 28 5.567 -5.289 -2.985 208 HE3 TRP 28 HE3 TRP 28 6.932 -10.382 -2.132 209 HZ2 TRP 28 HZ2 TRP 28 6.131 -6.669 -5.365 210 HZ3 TRP 28 HZ3 TRP 28 7.201 -10.723 -4.555 211 HH2 TRP 28 HH2 TRP 28 6.807 -8.905 -6.138 212 H CYS 29 H CYS 29 8.887 -8.007 2.668 213 HA CYS 29 HA CYS 29 10.378 -5.849 1.948 214 1HB CYS 29 1HB CYS 29 11.443 -8.568 2.635 215 2HB CYS 29 2HB CYS 29 12.412 -7.129 2.506 216 H ASP 30 H ASP 30 10.987 -5.118 0.071 217 HA ASP 30 HA ASP 30 11.415 -6.845 -2.192 218 1HB ASP 30 1HB ASP 30 12.041 -4.849 -3.413 219 2HB ASP 30 2HB ASP 30 10.621 -4.467 -2.462 220 H ALA 31 H ALA 31 13.460 -7.363 -3.020 221 HA ALA 31 HA ALA 31 15.362 -8.310 -1.424 222 1HB ALA 31 1HB ALA 31 16.598 -8.686 -3.264 223 2HB ALA 31 2HB ALA 31 15.168 -8.070 -4.091 224 3HB ALA 31 3HB ALA 31 16.538 -7.002 -3.784 225 H PHE 32 H PHE 32 14.953 -6.350 0.153 226 HA PHE 32 HA PHE 32 17.457 -5.259 0.688 227 1HB PHE 32 1HB PHE 32 15.797 -3.697 -1.040 228 2HB PHE 32 2HB PHE 32 15.974 -2.879 0.496 229 HD1 PHE 32 HD1 PHE 32 17.448 -3.439 -2.651 230 HD2 PHE 32 HD2 PHE 32 18.401 -2.736 1.434 231 HE1 PHE 32 HE1 PHE 32 19.689 -2.667 -3.312 232 HE2 PHE 32 HE2 PHE 32 20.642 -1.957 0.783 233 HZ PHE 32 HZ PHE 32 21.289 -1.922 -1.594 234 H CYS 33 H CYS 33 15.123 -6.733 1.909 235 HA CYS 33 HA CYS 33 13.573 -5.389 3.661 236 1HB CYS 33 1HB CYS 33 13.904 -7.924 3.352 237 2HB CYS 33 2HB CYS 33 15.104 -7.776 4.629 238 H SER 34 H SER 34 17.030 -5.508 3.779 239 HA SER 34 HA SER 34 17.250 -4.612 6.500 240 1HB SER 34 1HB SER 34 19.010 -5.798 4.824 241 2HB SER 34 2HB SER 34 19.491 -4.114 4.620 242 HG SER 34 HG SER 34 19.180 -5.355 7.149 243 H SER 35 H SER 35 17.668 -3.086 3.297 244 HA SER 35 HA SER 35 17.568 -0.443 4.571 245 1HB SER 35 1HB SER 35 19.211 -1.371 2.582 246 2HB SER 35 2HB SER 35 17.962 -0.540 1.655 247 HG SER 35 HG SER 35 18.478 1.339 2.611 248 H ARG 36 H ARG 36 16.370 -1.577 1.395 249 HA ARG 36 HA ARG 36 14.085 0.121 1.542 250 1HB ARG 36 1HB ARG 36 14.222 -2.239 -0.304 251 2HB ARG 36 2HB ARG 36 13.498 -0.676 -0.574 252 1HG ARG 36 1HG ARG 36 15.618 0.356 -0.881 253 2HG ARG 36 2HG ARG 36 16.460 -1.110 -0.383 254 1HD ARG 36 1HD ARG 36 15.942 -2.228 -2.348 255 2HD ARG 36 2HD ARG 36 14.579 -1.176 -2.702 256 HE ARG 36 HE ARG 36 16.987 0.299 -2.751 257 1HH1 ARG 36 1HH1 ARG 36 15.191 -2.056 -4.597 258 2HH1 ARG 36 2HH1 ARG 36 15.860 -1.560 -6.115 259 1HH2 ARG 36 1HH2 ARG 36 17.867 0.953 -4.748 260 2HH2 ARG 36 2HH2 ARG 36 17.379 0.148 -6.201 261 H GLY 37 H GLY 37 13.843 -3.430 0.932 262 1HA GLY 37 1HA GLY 37 12.510 -3.767 3.459 263 2HA GLY 37 2HA GLY 37 12.795 -4.995 2.243 264 H LYS 38 H LYS 38 10.476 -4.411 3.881 265 HA LYS 38 HA LYS 38 8.519 -5.278 2.340 266 1HB LYS 38 1HB LYS 38 7.462 -3.291 4.159 267 2HB LYS 38 2HB LYS 38 7.143 -5.003 4.044 268 1HG LYS 38 1HG LYS 38 8.063 -4.805 6.140 269 2HG LYS 38 2HG LYS 38 9.454 -5.267 5.164 270 1HD LYS 38 1HD LYS 38 10.020 -2.837 4.967 271 2HD LYS 38 2HD LYS 38 8.726 -2.504 6.118 272 1HE LYS 38 1HE LYS 38 9.865 -4.036 7.727 273 2HE LYS 38 2HE LYS 38 11.209 -4.145 6.591 274 1HZ LYS 38 1HZ LYS 38 10.396 -1.450 7.257 275 2HZ LYS 38 2HZ LYS 38 11.030 -2.332 8.554 276 3HZ LYS 38 3HZ LYS 38 11.946 -2.118 7.147 277 H VAL 39 H VAL 39 7.935 -4.692 0.428 278 HA VAL 39 HA VAL 39 7.836 -1.982 -0.468 279 HB VAL 39 HB VAL 39 6.245 -4.130 -1.798 280 1HG1 VAL 39 1HG1 VAL 39 6.389 -1.755 -2.614 281 2HG1 VAL 39 2HG1 VAL 39 8.072 -2.091 -3.022 282 3HG1 VAL 39 3HG1 VAL 39 6.778 -3.007 -3.797 283 1HG2 VAL 39 1HG2 VAL 39 9.081 -4.338 -1.242 284 2HG2 VAL 39 2HG2 VAL 39 7.970 -5.536 -1.904 285 3HG2 VAL 39 3HG2 VAL 39 8.736 -4.361 -2.972 286 H VAL 40 H VAL 40 6.183 -0.594 -0.259 287 HA VAL 40 HA VAL 40 3.756 -1.567 1.054 288 HB VAL 40 HB VAL 40 4.622 1.299 0.691 289 1HG1 VAL 40 1HG1 VAL 40 2.376 -0.069 2.035 290 2HG1 VAL 40 2HG1 VAL 40 3.123 1.268 2.910 291 3HG1 VAL 40 3HG1 VAL 40 2.455 1.532 1.298 292 1HG2 VAL 40 1HG2 VAL 40 5.424 -0.750 2.676 293 2HG2 VAL 40 2HG2 VAL 40 6.324 0.629 2.043 294 3HG2 VAL 40 3HG2 VAL 40 5.088 0.874 3.278 295 H GLU 41 H GLU 41 1.946 -1.773 -0.029 296 HA GLU 41 HA GLU 41 1.593 -0.277 -2.542 297 1HB GLU 41 1HB GLU 41 1.784 -2.938 -2.451 298 2HB GLU 41 2HB GLU 41 0.074 -2.794 -2.067 299 1HG GLU 41 1HG GLU 41 -0.240 -2.796 -4.268 300 2HG GLU 41 2HG GLU 41 0.319 -1.125 -4.213 301 H LEU 42 H LEU 42 -0.635 0.276 -3.062 302 HA LEU 42 HA LEU 42 -2.504 0.294 -0.826 303 1HB LEU 42 1HB LEU 42 -0.904 2.531 -1.570 304 2HB LEU 42 2HB LEU 42 -2.564 2.893 -1.991 305 HG LEU 42 HG LEU 42 -3.275 2.549 0.288 306 1HD1 LEU 42 1HD1 LEU 42 -0.468 1.577 0.647 307 2HD1 LEU 42 2HD1 LEU 42 -1.395 2.203 2.012 308 3HD1 LEU 42 3HD1 LEU 42 -1.983 0.803 1.114 309 1HD2 LEU 42 1HD2 LEU 42 -2.349 4.751 -0.368 310 2HD2 LEU 42 2HD2 LEU 42 -2.156 4.398 1.349 311 3HD2 LEU 42 3HD2 LEU 42 -0.781 4.240 0.257 312 H GLY 43 H GLY 43 -4.618 0.289 -1.430 313 1HA GLY 43 1HA GLY 43 -5.243 -0.427 -4.101 314 2HA GLY 43 2HA GLY 43 -5.695 1.245 -3.807 315 H CYS 44 H CYS 44 -7.836 0.240 -4.358 316 HA CYS 44 HA CYS 44 -9.181 -0.436 -1.856 317 1HB CYS 44 1HB CYS 44 -9.844 1.311 -3.852 318 2HB CYS 44 2HB CYS 44 -10.811 -0.093 -4.288 319 H ALA 45 H ALA 45 -10.624 -2.212 -1.692 320 HA ALA 45 HA ALA 45 -10.582 -4.192 -3.833 321 1HB ALA 45 1HB ALA 45 -8.678 -4.920 -2.658 322 2HB ALA 45 2HB ALA 45 -9.444 -4.658 -1.092 323 3HB ALA 45 3HB ALA 45 -9.986 -5.977 -2.128 324 H ALA 46 H ALA 46 -12.215 -5.786 -3.661 325 HA ALA 46 HA ALA 46 -14.548 -4.864 -2.213 326 1HB ALA 46 1HB ALA 46 -15.804 -6.312 -3.562 327 2HB ALA 46 2HB ALA 46 -14.521 -5.727 -4.622 328 3HB ALA 46 3HB ALA 46 -14.413 -7.338 -3.911 329 H THR 47 H THR 47 -12.236 -7.480 -2.092 330 HA THR 47 HA THR 47 -13.403 -8.351 0.453 331 HB THR 47 HB THR 47 -12.363 -10.675 -0.604 332 HG1 THR 47 HG1 THR 47 -13.845 -9.376 -2.637 333 1HG2 THR 47 1HG2 THR 47 -15.096 -9.618 -0.231 334 2HG2 THR 47 2HG2 THR 47 -14.906 -11.071 -1.213 335 3HG2 THR 47 3HG2 THR 47 -14.326 -11.049 0.452 336 H CYS 48 H CYS 48 -11.617 -10.300 1.140 337 HA CYS 48 HA CYS 48 -9.011 -8.944 1.046 338 1HB CYS 48 1HB CYS 48 -10.332 -8.747 3.238 339 2HB CYS 48 2HB CYS 48 -9.960 -10.449 3.443 340 HA PRO 49 HA PRO 49 -8.454 -13.397 -0.083 341 1HB PRO 49 1HB PRO 49 -7.846 -13.173 -2.662 342 2HB PRO 49 2HB PRO 49 -9.525 -13.071 -2.119 343 1HG PRO 49 1HG PRO 49 -7.659 -10.890 -2.929 344 2HG PRO 49 2HG PRO 49 -9.396 -11.052 -3.235 345 1HD PRO 49 1HD PRO 49 -8.224 -9.520 -1.208 346 2HD PRO 49 2HD PRO 49 -9.925 -10.013 -1.284 347 H SER 50 H SER 50 -6.471 -14.443 -1.096 348 HA SER 50 HA SER 50 -4.088 -12.955 -1.440 349 1HB SER 50 1HB SER 50 -3.419 -14.530 0.858 350 2HB SER 50 2HB SER 50 -3.269 -12.788 0.633 351 HG SER 50 HG SER 50 -4.731 -12.758 2.157 352 H LYS 51 H LYS 51 -2.667 -14.137 -2.559 353 HA LYS 51 HA LYS 51 -2.274 -16.916 -2.228 354 1HB LYS 51 1HB LYS 51 -4.414 -16.158 -3.939 355 2HB LYS 51 2HB LYS 51 -3.153 -16.921 -4.891 356 1HG LYS 51 1HG LYS 51 -4.476 -18.087 -2.455 357 2HG LYS 51 2HG LYS 51 -4.786 -18.546 -4.129 358 1HD LYS 51 1HD LYS 51 -2.816 -19.683 -4.328 359 2HD LYS 51 2HD LYS 51 -1.979 -18.647 -3.170 360 1HE LYS 51 1HE LYS 51 -3.940 -20.856 -2.580 361 2HE LYS 51 2HE LYS 51 -2.222 -20.810 -2.184 362 1HZ LYS 51 1HZ LYS 51 -3.056 -18.621 -0.942 363 2HZ LYS 51 2HZ LYS 51 -4.469 -19.545 -0.843 364 3HZ LYS 51 3HZ LYS 51 -3.022 -20.143 -0.203 365 H LYS 52 H LYS 52 -0.193 -15.732 -2.087 366 HA LYS 52 HA LYS 52 1.173 -15.884 -4.637 367 1HB LYS 52 1HB LYS 52 0.779 -13.314 -3.147 368 2HB LYS 52 2HB LYS 52 2.259 -13.573 -4.061 369 1HG LYS 52 1HG LYS 52 -0.530 -13.718 -5.189 370 2HG LYS 52 2HG LYS 52 0.569 -12.346 -5.341 371 1HD LYS 52 1HD LYS 52 1.627 -13.293 -7.059 372 2HD LYS 52 2HD LYS 52 1.851 -14.799 -6.168 373 1HE LYS 52 1HE LYS 52 -0.146 -15.700 -6.942 374 2HE LYS 52 2HE LYS 52 -0.809 -14.121 -7.360 375 1HZ LYS 52 1HZ LYS 52 1.589 -15.020 -8.775 376 2HZ LYS 52 2HZ LYS 52 0.117 -15.747 -9.182 377 3HZ LYS 52 3HZ LYS 52 0.302 -14.071 -9.327 378 HA PRO 53 HA PRO 53 4.712 -17.439 -2.550 379 1HB PRO 53 1HB PRO 53 6.143 -14.969 -3.449 380 2HB PRO 53 2HB PRO 53 6.649 -16.659 -3.551 381 1HG PRO 53 1HG PRO 53 5.692 -15.378 -5.690 382 2HG PRO 53 2HG PRO 53 5.323 -17.087 -5.396 383 1HD PRO 53 1HD PRO 53 3.575 -14.708 -5.137 384 2HD PRO 53 2HD PRO 53 3.147 -16.396 -5.468 385 H TYR 54 H TYR 54 4.950 -13.881 -2.287 386 HA TYR 54 HA TYR 54 4.561 -14.000 0.569 387 1HB TYR 54 1HB TYR 54 7.181 -14.031 -0.523 388 2HB TYR 54 2HB TYR 54 6.929 -12.505 0.310 389 HD1 TYR 54 HD1 TYR 54 6.989 -16.166 0.707 390 HD2 TYR 54 HD2 TYR 54 6.757 -12.412 2.695 391 HE1 TYR 54 HE1 TYR 54 7.393 -17.287 2.858 392 HE2 TYR 54 HE2 TYR 54 7.161 -13.522 4.852 393 HH TYR 54 HH TYR 54 8.172 -16.798 5.073 394 H GLU 55 H GLU 55 2.765 -12.684 0.003 395 HA GLU 55 HA GLU 55 3.450 -9.863 -0.121 396 1HB GLU 55 1HB GLU 55 1.796 -11.265 -2.214 397 2HB GLU 55 2HB GLU 55 1.642 -9.541 -1.909 398 1HG GLU 55 1HG GLU 55 3.878 -9.134 -2.574 399 2HG GLU 55 2HG GLU 55 4.253 -10.856 -2.597 400 H GLU 56 H GLU 56 2.632 -9.727 1.977 401 HA GLU 56 HA GLU 56 -0.059 -10.600 2.543 402 1HB GLU 56 1HB GLU 56 1.700 -8.933 4.327 403 2HB GLU 56 2HB GLU 56 0.388 -10.001 4.786 404 1HG GLU 56 1HG GLU 56 1.772 -11.706 5.012 405 2HG GLU 56 2HG GLU 56 2.377 -11.488 3.371 406 H VAL 57 H VAL 57 -1.840 -9.387 2.487 407 HA VAL 57 HA VAL 57 -1.537 -6.470 2.230 408 HB VAL 57 HB VAL 57 -3.893 -6.887 0.978 409 1HG1 VAL 57 1HG1 VAL 57 -1.955 -5.542 0.221 410 2HG1 VAL 57 2HG1 VAL 57 -1.229 -7.018 -0.415 411 3HG1 VAL 57 3HG1 VAL 57 -2.752 -6.427 -1.080 412 1HG2 VAL 57 1HG2 VAL 57 -3.535 -9.369 1.147 413 2HG2 VAL 57 2HG2 VAL 57 -3.831 -8.756 -0.480 414 3HG2 VAL 57 3HG2 VAL 57 -2.192 -9.175 0.020 415 H THR 58 H THR 58 -2.498 -5.406 3.843 416 HA THR 58 HA THR 58 -4.448 -6.785 5.502 417 HB THR 58 HB THR 58 -4.268 -4.552 6.803 418 HG1 THR 58 HG1 THR 58 -3.187 -3.392 5.178 419 1HG2 THR 58 1HG2 THR 58 -3.134 -6.808 7.332 420 2HG2 THR 58 2HG2 THR 58 -1.675 -6.022 6.731 421 3HG2 THR 58 3HG2 THR 58 -2.540 -5.340 8.108 422 H CYS 59 H CYS 59 -6.510 -6.667 4.972 423 HA CYS 59 HA CYS 59 -7.497 -4.267 3.616 424 1HB CYS 59 1HB CYS 59 -9.304 -6.556 3.610 425 2HB CYS 59 2HB CYS 59 -8.714 -5.583 2.275 426 H CYS 60 H CYS 60 -9.183 -3.103 4.464 427 HA CYS 60 HA CYS 60 -10.569 -4.168 6.812 428 1HB CYS 60 1HB CYS 60 -10.222 -2.123 8.062 429 2HB CYS 60 2HB CYS 60 -8.656 -2.767 7.580 430 H SER 61 H SER 61 -12.015 -1.865 7.426 431 HA SER 61 HA SER 61 -13.261 -0.881 5.015 432 1HB SER 61 1HB SER 61 -15.340 -1.896 5.208 433 2HB SER 61 2HB SER 61 -14.270 -3.209 5.697 434 HG SER 61 HG SER 61 -14.711 -2.694 7.857 435 H THR 62 H THR 62 -11.856 0.333 7.218 436 HA THR 62 HA THR 62 -14.079 1.830 8.467 437 HB THR 62 HB THR 62 -12.710 0.631 10.100 438 HG1 THR 62 HG1 THR 62 -12.196 3.415 10.213 439 1HG2 THR 62 1HG2 THR 62 -10.571 0.876 8.660 440 2HG2 THR 62 2HG2 THR 62 -10.387 2.400 9.528 441 3HG2 THR 62 3HG2 THR 62 -10.456 0.880 10.420 442 H ASP 63 H ASP 63 -12.867 2.316 5.842 443 HA ASP 63 HA ASP 63 -12.222 4.061 4.542 444 1HB ASP 63 1HB ASP 63 -14.008 5.096 6.205 445 2HB ASP 63 2HB ASP 63 -12.616 6.027 6.736 446 H LYS 64 H LYS 64 -10.493 5.264 4.007 447 HA LYS 64 HA LYS 64 -8.136 5.325 4.006 448 1HB LYS 64 1HB LYS 64 -7.594 7.385 5.547 449 2HB LYS 64 2HB LYS 64 -8.571 7.573 4.100 450 1HG LYS 64 1HG LYS 64 -10.066 6.958 6.556 451 2HG LYS 64 2HG LYS 64 -9.247 8.520 6.531 452 1HD LYS 64 1HD LYS 64 -11.058 7.544 4.329 453 2HD LYS 64 2HD LYS 64 -11.603 8.548 5.674 454 1HE LYS 64 1HE LYS 64 -9.443 9.287 3.703 455 2HE LYS 64 2HE LYS 64 -11.107 9.868 3.657 456 1HZ LYS 64 1HZ LYS 64 -10.436 10.519 6.141 457 2HZ LYS 64 2HZ LYS 64 -8.919 10.645 5.402 458 3HZ LYS 64 3HZ LYS 64 -10.219 11.558 4.824 459 H CYS 65 H CYS 65 -8.718 3.181 5.681 460 HA CYS 65 HA CYS 65 -7.193 3.582 8.119 461 1HB CYS 65 1HB CYS 65 -8.564 2.040 8.944 462 2HB CYS 65 2HB CYS 65 -9.334 1.918 7.377 463 H ASN 66 H ASN 66 -6.436 2.875 4.978 464 HA ASN 66 HA ASN 66 -4.230 1.107 5.713 465 1HB ASN 66 1HB ASN 66 -4.154 0.539 3.339 466 2HB ASN 66 2HB ASN 66 -5.737 0.224 4.029 467 2HD2 ASN 66 2HD2 ASN 66 -4.284 1.281 1.396 468 1HD2 ASN 66 1HD2 ASN 66 -5.455 2.400 0.793 469 HA PRO 67 HA PRO 67 -2.249 5.161 4.431 470 1HB PRO 67 1HB PRO 67 -1.462 6.173 6.758 471 2HB PRO 67 2HB PRO 67 -3.143 6.341 6.234 472 1HG PRO 67 1HG PRO 67 -1.953 4.402 8.182 473 2HG PRO 67 2HG PRO 67 -3.459 5.329 8.307 474 1HD PRO 67 1HD PRO 67 -3.312 2.694 7.495 475 2HD PRO 67 2HD PRO 67 -4.630 3.804 7.086 476 H HIS 68 H HIS 68 -0.215 4.942 3.725 477 HA HIS 68 HA HIS 68 1.491 2.870 4.220 478 1HB HIS 68 1HB HIS 68 1.754 4.574 2.416 479 2HB HIS 68 2HB HIS 68 2.386 5.691 3.617 480 HD1 HIS 68 HD1 HIS 68 4.538 4.459 5.021 481 HD2 HIS 68 HD2 HIS 68 3.752 3.356 1.093 482 HE1 HIS 68 HE1 HIS 68 6.669 3.428 4.174 483 HE2 HIS 68 HE2 HIS 68 6.194 2.834 1.772 484 HA PRO 69 HA PRO 69 2.687 3.662 8.479 485 1HB PRO 69 1HB PRO 69 4.389 1.557 8.724 486 2HB PRO 69 2HB PRO 69 2.631 1.389 8.800 487 1HG PRO 69 1HG PRO 69 4.483 0.898 6.497 488 2HG PRO 69 2HG PRO 69 3.116 -0.082 7.061 489 1HD PRO 69 1HD PRO 69 2.913 1.587 4.950 490 2HD PRO 69 2HD PRO 69 1.554 1.289 6.053 491 H LYS 70 H LYS 70 3.792 5.619 7.533 492 HA LYS 70 HA LYS 70 6.372 5.886 8.452 493 1HB LYS 70 1HB LYS 70 7.139 4.372 6.733 494 2HB LYS 70 2HB LYS 70 6.298 5.283 5.490 495 1HG LYS 70 1HG LYS 70 8.533 5.895 5.256 496 2HG LYS 70 2HG LYS 70 7.811 7.235 6.149 497 1HD LYS 70 1HD LYS 70 9.637 6.915 7.461 498 2HD LYS 70 2HD LYS 70 8.576 5.724 8.214 499 1HE LYS 70 1HE LYS 70 9.967 4.615 5.933 500 2HE LYS 70 2HE LYS 70 11.095 5.274 7.116 501 1HZ LYS 70 1HZ LYS 70 9.775 3.969 8.814 502 2HZ LYS 70 2HZ LYS 70 9.064 3.159 7.510 503 3HZ LYS 70 3HZ LYS 70 10.735 3.066 7.752 504 H GLN 71 H GLN 71 3.917 6.892 6.196 505 HA GLN 71 HA GLN 71 4.725 9.333 5.307 506 1HB GLN 71 1HB GLN 71 1.973 8.805 6.420 507 2HB GLN 71 2HB GLN 71 2.408 9.978 5.188 508 1HG GLN 71 1HG GLN 71 3.272 7.772 3.977 509 2HG GLN 71 2HG GLN 71 2.014 7.060 4.985 510 2HE2 GLN 71 2HE2 GLN 71 0.115 6.921 4.047 511 1HE2 GLN 71 1HE2 GLN 71 -0.507 7.980 2.832 512 H ARG 72 H ARG 72 4.123 11.525 6.017 513 HA ARG 72 HA ARG 72 4.845 11.903 8.811 514 1HB ARG 72 1HB ARG 72 6.039 13.219 7.145 515 2HB ARG 72 2HB ARG 72 4.524 13.867 6.533 516 1HG ARG 72 1HG ARG 72 4.260 14.698 9.016 517 2HG ARG 72 2HG ARG 72 6.017 14.545 9.010 518 1HD ARG 72 1HD ARG 72 5.577 16.766 8.368 519 2HD ARG 72 2HD ARG 72 5.986 15.917 6.879 520 HE ARG 72 HE ARG 72 3.215 15.823 7.186 521 1HH1 ARG 72 1HH1 ARG 72 5.716 18.193 6.633 522 2HH1 ARG 72 2HH1 ARG 72 4.677 19.269 5.760 523 1HH2 ARG 72 1HH2 ARG 72 1.846 17.236 6.038 524 2HH2 ARG 72 2HH2 ARG 72 2.480 18.725 5.420 525 HA PRO 73 HA PRO 73 0.697 12.632 10.182 526 1HB PRO 73 1HB PRO 73 1.210 14.415 12.198 527 2HB PRO 73 2HB PRO 73 1.412 12.668 12.348 528 1HG PRO 73 1HG PRO 73 3.467 14.773 11.796 529 2HG PRO 73 2HG PRO 73 3.570 13.359 12.862 530 1HD PRO 73 1HD PRO 73 4.709 13.369 10.433 531 2HD PRO 73 2HD PRO 73 3.963 11.902 11.101 532 H GLY 74 H GLY 74 -0.642 13.787 8.946 533 1HA GLY 74 1HA GLY 74 -0.084 16.671 8.613 534 2HA GLY 74 2HA GLY 74 -1.701 16.052 8.910 535 H1 TRP 75 H1 TRP 75 3.441 1.691 -10.514 536 H2 TRP 75 H2 TRP 75 4.690 1.382 -11.646 537 H3 TRP 75 H3 TRP 75 4.071 0.104 -10.683 538 HA TRP 75 HA TRP 75 6.087 0.675 -9.753 539 1HB TRP 75 1HB TRP 75 6.595 3.044 -9.174 540 2HB TRP 75 2HB TRP 75 6.405 2.782 -10.903 541 HD1 TRP 75 HD1 TRP 75 3.920 3.752 -8.061 542 HE1 TRP 75 HE1 TRP 75 2.497 5.723 -8.915 543 HE3 TRP 75 HE3 TRP 75 5.978 4.291 -12.710 544 HZ2 TRP 75 HZ2 TRP 75 2.277 7.294 -11.247 545 HZ3 TRP 75 HZ3 TRP 75 5.104 6.052 -14.190 546 HH2 TRP 75 HH2 TRP 75 3.291 7.521 -13.472 547 H ARG 76 H ARG 76 6.512 1.234 -7.449 548 HA ARG 76 HA ARG 76 4.127 1.720 -5.842 549 1HB ARG 76 1HB ARG 76 5.171 -0.345 -4.410 550 2HB ARG 76 2HB ARG 76 3.819 -0.492 -5.521 551 1HG ARG 76 1HG ARG 76 5.519 -2.246 -5.818 552 2HG ARG 76 2HG ARG 76 5.274 -1.273 -7.269 553 1HD ARG 76 1HD ARG 76 7.401 -0.608 -7.276 554 2HD ARG 76 2HD ARG 76 7.330 -0.150 -5.576 555 HE ARG 76 HE ARG 76 8.252 -2.179 -5.008 556 1HH1 ARG 76 1HH1 ARG 76 7.356 -2.215 -8.382 557 2HH1 ARG 76 2HH1 ARG 76 8.200 -3.688 -8.717 558 1HH2 ARG 76 1HH2 ARG 76 9.360 -4.118 -5.449 559 2HH2 ARG 76 2HH2 ARG 76 9.336 -4.770 -7.054 560 H TYR 77 H TYR 77 5.042 1.295 -3.339 561 HA TYR 77 HA TYR 77 7.530 2.882 -3.218 562 1HB TYR 77 1HB TYR 77 5.287 3.079 -1.213 563 2HB TYR 77 2HB TYR 77 6.674 4.140 -1.388 564 HD1 TYR 77 HD1 TYR 77 3.955 2.927 -3.687 565 HD2 TYR 77 HD2 TYR 77 6.111 6.235 -2.104 566 HE1 TYR 77 HE1 TYR 77 2.640 4.453 -5.091 567 HE2 TYR 77 HE2 TYR 77 4.796 7.767 -3.502 568 HH TYR 77 HH TYR 77 1.987 6.749 -5.197 569 H TYR 78 H TYR 78 8.819 2.551 -1.296 570 HA TYR 78 HA TYR 78 8.516 -0.149 -0.226 571 1HB TYR 78 1HB TYR 78 10.905 1.706 -0.101 572 2HB TYR 78 2HB TYR 78 10.865 0.040 0.435 573 HD1 TYR 78 HD1 TYR 78 8.991 -0.534 -2.187 574 HD2 TYR 78 HD2 TYR 78 12.897 0.983 -1.449 575 HE1 TYR 78 HE1 TYR 78 9.705 -1.289 -4.414 576 HE2 TYR 78 HE2 TYR 78 13.614 0.231 -3.674 577 HH TYR 78 HH TYR 78 12.267 -0.233 -5.985 578 H GLU 79 H GLU 79 9.086 -0.409 2.118 579 HA GLU 79 HA GLU 79 7.396 1.195 3.684 580 1HB GLU 79 1HB GLU 79 8.768 -1.209 4.017 581 2HB GLU 79 2HB GLU 79 9.416 -0.157 5.267 582 1HG GLU 79 1HG GLU 79 6.529 0.012 5.083 583 2HG GLU 79 2HG GLU 79 7.089 -1.630 5.393 584 H SER 80 H SER 80 10.940 1.044 3.602 585 HA SER 80 HA SER 80 11.370 3.072 5.492 586 1HB SER 80 1HB SER 80 12.953 1.380 3.873 587 2HB SER 80 2HB SER 80 13.548 3.026 3.699 588 HG SER 80 HG SER 80 14.339 1.636 5.534 589 H SER 81 H SER 81 10.970 3.214 1.992 590 HA SER 81 HA SER 81 11.372 6.113 2.102 591 1HB SER 81 1HB SER 81 12.337 5.978 0.088 592 2HB SER 81 2HB SER 81 12.428 4.252 0.394 593 HG SER 81 HG SER 81 10.568 5.683 -1.163 594 H LEU 82 H LEU 82 9.638 7.351 2.169 595 HA LEU 82 HA LEU 82 7.011 6.392 1.606 596 1HB LEU 82 1HB LEU 82 8.190 8.507 3.009 597 2HB LEU 82 2HB LEU 82 7.275 9.275 1.731 598 HG LEU 82 HG LEU 82 6.208 8.856 4.053 599 1HD1 LEU 82 1HD1 LEU 82 5.219 9.292 1.509 600 2HD1 LEU 82 2HD1 LEU 82 4.240 7.959 2.124 601 3HD1 LEU 82 3HD1 LEU 82 4.334 9.474 3.023 602 1HD2 LEU 82 1HD2 LEU 82 6.778 6.380 3.935 603 2HD2 LEU 82 2HD2 LEU 82 5.139 6.809 4.431 604 3HD2 LEU 82 3HD2 LEU 82 5.446 6.247 2.787 605 H GLU 83 H GLU 83 9.499 7.816 -0.271 606 HA GLU 83 HA GLU 83 7.905 9.162 -2.190 607 1HB GLU 83 1HB GLU 83 10.744 8.364 -1.934 608 2HB GLU 83 2HB GLU 83 10.157 8.626 -3.570 609 1HG GLU 83 1HG GLU 83 11.181 10.629 -2.603 610 2HG GLU 83 2HG GLU 83 9.485 10.872 -3.018 611 HA PRO 84 HA PRO 84 6.640 5.890 -4.870 612 1HB PRO 84 1HB PRO 84 7.123 7.443 -7.271 613 2HB PRO 84 2HB PRO 84 5.587 7.097 -6.475 614 1HG PRO 84 1HG PRO 84 6.701 9.585 -6.573 615 2HG PRO 84 2HG PRO 84 5.626 9.044 -5.270 616 1HD PRO 84 1HD PRO 84 8.619 9.211 -5.311 617 2HD PRO 84 2HD PRO 84 7.487 9.648 -4.017 618 H TYR 85 H TYR 85 7.550 4.151 -5.777 619 HA TYR 85 HA TYR 85 10.244 4.457 -6.921 620 1HB TYR 85 1HB TYR 85 9.153 2.549 -4.925 621 2HB TYR 85 2HB TYR 85 10.333 1.929 -6.074 622 HD1 TYR 85 HD1 TYR 85 12.382 1.726 -5.003 623 HD2 TYR 85 HD2 TYR 85 10.034 5.202 -4.259 624 HE1 TYR 85 HE1 TYR 85 14.192 2.648 -3.623 625 HE2 TYR 85 HE2 TYR 85 11.843 6.130 -2.881 626 HH TYR 85 HH TYR 85 14.365 4.339 -1.702 627 HA PRO 86 HA PRO 86 8.285 2.963 -10.672 628 1HB PRO 86 1HB PRO 86 11.134 2.293 -11.252 629 2HB PRO 86 2HB PRO 86 9.950 3.139 -12.255 630 1HG PRO 86 1HG PRO 86 11.866 4.490 -11.002 631 2HG PRO 86 2HG PRO 86 10.221 5.144 -11.119 632 1HD PRO 86 1HD PRO 86 11.607 3.899 -8.789 633 2HD PRO 86 2HD PRO 86 10.426 5.224 -8.827 634 H ASP 87 H ASP 87 8.181 0.928 -11.862 635 HA ASP 87 HA ASP 87 8.203 -1.320 -10.106 636 1HB ASP 87 1HB ASP 87 6.976 -0.632 -12.556 637 2HB ASP 87 2HB ASP 87 7.830 -2.150 -12.786 No H/Q in entry = 637 Start of MODEL 6 1 H1 ILE 1 H1 ILE 1 -17.152 5.496 -0.631 2 H2 ILE 1 H2 ILE 1 -17.190 3.792 -0.431 3 H3 ILE 1 H3 ILE 1 -18.006 4.803 0.687 4 HA ILE 1 HA ILE 1 -16.141 5.463 1.705 5 HB ILE 1 HB ILE 1 -16.480 2.996 1.906 6 1HG1 ILE 1 1HG1 ILE 1 -13.596 3.811 2.121 7 2HG1 ILE 1 2HG1 ILE 1 -14.838 4.360 3.239 8 1HG2 ILE 1 1HG2 ILE 1 -15.851 2.385 -0.387 9 2HG2 ILE 1 2HG2 ILE 1 -14.183 2.826 -0.024 10 3HG2 ILE 1 3HG2 ILE 1 -14.942 1.478 0.821 11 1HD1 ILE 1 1HD1 ILE 1 -15.208 1.672 3.302 12 2HD1 ILE 1 2HD1 ILE 1 -13.465 1.788 3.064 13 3HD1 ILE 1 3HD1 ILE 1 -14.221 2.586 4.442 14 H VAL 2 H VAL 2 -13.781 5.678 1.769 15 HA VAL 2 HA VAL 2 -12.659 6.067 -0.915 16 HB VAL 2 HB VAL 2 -12.242 7.887 1.464 17 1HG1 VAL 2 1HG1 VAL 2 -10.503 7.440 -0.614 18 2HG1 VAL 2 2HG1 VAL 2 -11.414 8.848 -1.160 19 3HG1 VAL 2 3HG1 VAL 2 -10.564 8.892 0.384 20 1HG2 VAL 2 1HG2 VAL 2 -14.427 7.811 -0.156 21 2HG2 VAL 2 2HG2 VAL 2 -13.850 9.246 0.693 22 3HG2 VAL 2 3HG2 VAL 2 -13.402 8.979 -0.991 23 H CYS 3 H CYS 3 -10.788 5.077 -1.253 24 HA CYS 3 HA CYS 3 -9.193 4.251 1.089 25 1HB CYS 3 1HB CYS 3 -9.538 2.765 -1.529 26 2HB CYS 3 2HB CYS 3 -8.475 2.274 -0.217 27 H HIS 4 H HIS 4 -6.877 3.814 0.522 28 HA HIS 4 HA HIS 4 -5.883 6.075 -1.017 29 1HB HIS 4 1HB HIS 4 -4.413 4.121 0.759 30 2HB HIS 4 2HB HIS 4 -3.733 5.584 0.052 31 HD1 HIS 4 HD1 HIS 4 -5.577 7.746 0.713 32 HD2 HIS 4 HD2 HIS 4 -4.949 4.610 3.361 33 HE1 HIS 4 HE1 HIS 4 -6.267 8.614 2.965 34 HE2 HIS 4 HE2 HIS 4 -5.659 6.774 4.573 35 H THR 5 H THR 5 -4.232 5.872 -2.601 36 HA THR 5 HA THR 5 -3.952 3.191 -3.761 37 HB THR 5 HB THR 5 -5.565 5.060 -4.885 38 HG1 THR 5 HG1 THR 5 -5.790 3.304 -5.975 39 1HG2 THR 5 1HG2 THR 5 -3.731 6.574 -5.446 40 2HG2 THR 5 2HG2 THR 5 -2.951 5.279 -6.357 41 3HG2 THR 5 3HG2 THR 5 -4.509 5.919 -6.888 42 H THR 6 H THR 6 -2.114 2.834 -4.987 43 HA THR 6 HA THR 6 0.073 4.761 -4.548 44 HB THR 6 HB THR 6 1.537 2.650 -4.691 45 HG1 THR 6 HG1 THR 6 -0.102 1.229 -5.360 46 1HG2 THR 6 1HG2 THR 6 0.239 3.849 -2.480 47 2HG2 THR 6 2HG2 THR 6 0.284 2.106 -2.219 48 3HG2 THR 6 3HG2 THR 6 1.777 2.990 -2.526 49 H ALA 7 H ALA 7 -1.671 2.861 -6.827 50 HA ALA 7 HA ALA 7 0.041 2.339 -8.874 51 1HB ALA 7 1HB ALA 7 -2.051 3.137 -10.326 52 2HB ALA 7 2HB ALA 7 -2.044 1.633 -9.405 53 3HB ALA 7 3HB ALA 7 -2.821 3.071 -8.741 54 H THR 8 H THR 8 -1.055 5.477 -7.838 55 HA THR 8 HA THR 8 -0.103 6.836 -10.206 56 HB THR 8 HB THR 8 -1.265 8.614 -9.446 57 HG1 THR 8 HG1 THR 8 -0.646 8.362 -6.735 58 1HG2 THR 8 1HG2 THR 8 -2.617 6.519 -8.573 59 2HG2 THR 8 2HG2 THR 8 -2.240 7.244 -7.008 60 3HG2 THR 8 3HG2 THR 8 -3.122 8.172 -8.223 61 H SER 9 H SER 9 1.388 8.893 -9.641 62 HA SER 9 HA SER 9 3.881 7.778 -8.829 63 1HB SER 9 1HB SER 9 3.094 10.047 -10.257 64 2HB SER 9 2HB SER 9 3.906 10.674 -8.824 65 HG SER 9 HG SER 9 5.748 9.844 -9.487 66 HA PRO 10 HA PRO 10 3.268 10.136 -4.785 67 1HB PRO 10 1HB PRO 10 1.329 12.124 -4.741 68 2HB PRO 10 2HB PRO 10 3.040 12.378 -5.062 69 1HG PRO 10 1HG PRO 10 0.897 12.753 -6.875 70 2HG PRO 10 2HG PRO 10 2.627 12.802 -7.249 71 1HD PRO 10 1HD PRO 10 0.671 10.584 -7.604 72 2HD PRO 10 2HD PRO 10 2.102 10.993 -8.566 73 H ILE 11 H ILE 11 1.970 9.697 -2.917 74 HA ILE 11 HA ILE 11 -0.080 7.804 -3.357 75 HB ILE 11 HB ILE 11 0.255 9.310 -0.780 76 1HG1 ILE 11 1HG1 ILE 11 1.819 6.937 -1.804 77 2HG1 ILE 11 2HG1 ILE 11 2.463 8.537 -1.457 78 1HG2 ILE 11 1HG2 ILE 11 -1.707 7.892 -0.936 79 2HG2 ILE 11 2HG2 ILE 11 -0.698 6.524 -1.409 80 3HG2 ILE 11 3HG2 ILE 11 -0.546 7.215 0.207 81 1HD1 ILE 11 1HD1 ILE 11 1.254 6.706 0.597 82 2HD1 ILE 11 2HD1 ILE 11 2.981 6.865 0.279 83 3HD1 ILE 11 3HD1 ILE 11 2.066 8.243 0.891 84 H SER 12 H SER 12 -2.244 7.877 -3.009 85 HA SER 12 HA SER 12 -3.607 10.365 -2.473 86 1HB SER 12 1HB SER 12 -4.867 10.364 -4.623 87 2HB SER 12 2HB SER 12 -3.146 10.684 -4.837 88 HG SER 12 HG SER 12 -4.651 8.668 -5.826 89 H ALA 13 H ALA 13 -6.113 9.889 -3.154 90 HA ALA 13 HA ALA 13 -6.843 7.151 -2.521 91 1HB ALA 13 1HB ALA 13 -6.723 9.137 -0.496 92 2HB ALA 13 2HB ALA 13 -7.282 7.469 -0.369 93 3HB ALA 13 3HB ALA 13 -8.420 8.751 -0.783 94 H VAL 14 H VAL 14 -8.742 6.568 -3.429 95 HA VAL 14 HA VAL 14 -10.325 8.705 -4.699 96 HB VAL 14 HB VAL 14 -9.058 6.831 -6.082 97 1HG1 VAL 14 1HG1 VAL 14 -10.465 5.102 -4.709 98 2HG1 VAL 14 2HG1 VAL 14 -11.702 5.473 -5.910 99 3HG1 VAL 14 3HG1 VAL 14 -10.139 4.834 -6.422 100 1HG2 VAL 14 1HG2 VAL 14 -11.055 8.644 -6.600 101 2HG2 VAL 14 2HG2 VAL 14 -10.172 7.705 -7.804 102 3HG2 VAL 14 3HG2 VAL 14 -11.725 7.127 -7.198 103 H THR 15 H THR 15 -12.549 7.396 -5.411 104 HA THR 15 HA THR 15 -13.686 6.422 -2.885 105 HB THR 15 HB THR 15 -14.766 8.306 -4.961 106 HG1 THR 15 HG1 THR 15 -14.923 8.456 -2.145 107 1HG2 THR 15 1HG2 THR 15 -16.376 6.757 -2.961 108 2HG2 THR 15 2HG2 THR 15 -16.942 8.211 -3.786 109 3HG2 THR 15 3HG2 THR 15 -16.553 6.764 -4.716 110 H CYS 16 H CYS 16 -14.047 4.305 -3.090 111 HA CYS 16 HA CYS 16 -14.332 3.011 -5.605 112 1HB CYS 16 1HB CYS 16 -15.215 1.623 -3.121 113 2HB CYS 16 2HB CYS 16 -14.249 1.030 -4.463 114 HA PRO 17 HA PRO 17 -18.706 3.728 -6.066 115 1HB PRO 17 1HB PRO 17 -19.085 2.211 -8.274 116 2HB PRO 17 2HB PRO 17 -18.293 3.788 -8.327 117 1HG PRO 17 1HG PRO 17 -17.086 1.056 -8.347 118 2HG PRO 17 2HG PRO 17 -16.626 2.492 -9.278 119 1HD PRO 17 1HD PRO 17 -15.310 1.658 -7.035 120 2HD PRO 17 2HD PRO 17 -15.371 3.350 -7.561 121 HA PRO 18 HA PRO 18 -21.230 0.492 -4.439 122 1HB PRO 18 1HB PRO 18 -22.454 0.063 -7.129 123 2HB PRO 18 2HB PRO 18 -23.235 0.304 -5.562 124 1HG PRO 18 1HG PRO 18 -23.124 2.283 -7.336 125 2HG PRO 18 2HG PRO 18 -22.912 2.601 -5.605 126 1HD PRO 18 1HD PRO 18 -20.884 2.536 -7.783 127 2HD PRO 18 2HD PRO 18 -20.935 3.531 -6.316 128 H GLY 19 H GLY 19 -19.157 -0.789 -4.398 129 1HA GLY 19 1HA GLY 19 -18.406 -2.612 -6.368 130 2HA GLY 19 2HA GLY 19 -19.593 -3.411 -5.345 131 H GLU 20 H GLU 20 -17.077 -1.055 -4.486 132 HA GLU 20 HA GLU 20 -15.879 -3.113 -2.742 133 1HB GLU 20 1HB GLU 20 -14.339 -0.729 -3.654 134 2HB GLU 20 2HB GLU 20 -13.752 -2.310 -3.171 135 1HG GLU 20 1HG GLU 20 -13.519 -2.779 -5.320 136 2HG GLU 20 2HG GLU 20 -15.277 -2.804 -5.434 137 H ASN 21 H ASN 21 -15.624 -2.667 -0.669 138 HA ASN 21 HA ASN 21 -16.276 0.034 0.283 139 1HB ASN 21 1HB ASN 21 -17.617 -2.416 0.804 140 2HB ASN 21 2HB ASN 21 -16.920 -1.821 2.298 141 2HD2 ASN 21 2HD2 ASN 21 -19.425 -1.900 2.477 142 1HD2 ASN 21 1HD2 ASN 21 -20.193 -0.380 2.223 143 H LEU 22 H LEU 22 -14.125 -2.619 0.356 144 HA LEU 22 HA LEU 22 -12.805 -1.613 2.765 145 1HB LEU 22 1HB LEU 22 -12.283 -4.174 1.276 146 2HB LEU 22 2HB LEU 22 -11.705 -3.734 2.864 147 HG LEU 22 HG LEU 22 -14.643 -3.940 2.345 148 1HD1 LEU 22 1HD1 LEU 22 -13.005 -6.048 1.806 149 2HD1 LEU 22 2HD1 LEU 22 -13.380 -6.306 3.510 150 3HD1 LEU 22 3HD1 LEU 22 -14.684 -6.174 2.329 151 1HD2 LEU 22 1HD2 LEU 22 -12.828 -3.842 4.688 152 2HD2 LEU 22 2HD2 LEU 22 -14.407 -3.096 4.444 153 3HD2 LEU 22 3HD2 LEU 22 -14.293 -4.814 4.824 154 H CYS 23 H CYS 23 -10.375 -1.873 2.713 155 HA CYS 23 HA CYS 23 -9.274 -1.005 0.122 156 1HB CYS 23 1HB CYS 23 -8.204 -0.012 2.750 157 2HB CYS 23 2HB CYS 23 -7.993 0.681 1.146 158 H TYR 24 H TYR 24 -6.869 -1.390 -0.026 159 HA TYR 24 HA TYR 24 -5.952 -3.487 1.785 160 1HB TYR 24 1HB TYR 24 -5.411 -5.057 0.139 161 2HB TYR 24 2HB TYR 24 -7.019 -4.501 -0.294 162 HD1 TYR 24 HD1 TYR 24 -3.432 -3.617 -1.095 163 HD2 TYR 24 HD2 TYR 24 -7.422 -4.128 -2.512 164 HE1 TYR 24 HE1 TYR 24 -2.670 -3.196 -3.385 165 HE2 TYR 24 HE2 TYR 24 -6.660 -3.694 -4.807 166 HH TYR 24 HH TYR 24 -3.409 -3.706 -5.701 167 H ARG 25 H ARG 25 -3.791 -3.728 2.014 168 HA ARG 25 HA ARG 25 -2.032 -1.815 0.647 169 1HB ARG 25 1HB ARG 25 -2.836 -1.469 3.247 170 2HB ARG 25 2HB ARG 25 -1.352 -2.387 3.456 171 1HG ARG 25 1HG ARG 25 -0.525 -0.537 1.681 172 2HG ARG 25 2HG ARG 25 -1.758 0.378 2.548 173 1HD ARG 25 1HD ARG 25 0.747 -0.884 3.608 174 2HD ARG 25 2HD ARG 25 0.215 0.790 3.732 175 HE ARG 25 HE ARG 25 -1.257 0.179 5.457 176 1HH1 ARG 25 1HH1 ARG 25 0.601 -2.550 4.304 177 2HH1 ARG 25 2HH1 ARG 25 0.273 -3.515 5.702 178 1HH2 ARG 25 1HH2 ARG 25 -1.685 -1.097 7.287 179 2HH2 ARG 25 2HH2 ARG 25 -1.023 -2.694 7.392 180 H LYS 26 H LYS 26 -0.608 -3.026 -0.442 181 HA LYS 26 HA LYS 26 0.014 -5.710 0.491 182 1HB LYS 26 1HB LYS 26 -0.512 -5.256 -1.890 183 2HB LYS 26 2HB LYS 26 0.953 -4.298 -2.005 184 1HG LYS 26 1HG LYS 26 2.328 -6.194 -1.691 185 2HG LYS 26 2HG LYS 26 0.958 -7.189 -1.193 186 1HD LYS 26 1HD LYS 26 1.192 -5.952 -3.930 187 2HD LYS 26 2HD LYS 26 1.788 -7.567 -3.547 188 1HE LYS 26 1HE LYS 26 -1.023 -6.859 -2.857 189 2HE LYS 26 2HE LYS 26 -0.619 -7.213 -4.535 190 1HZ LYS 26 1HZ LYS 26 0.515 -9.284 -3.446 191 2HZ LYS 26 2HZ LYS 26 -0.594 -8.988 -2.204 192 3HZ LYS 26 3HZ LYS 26 -1.145 -9.282 -3.776 193 H MET 27 H MET 27 2.008 -6.456 1.067 194 HA MET 27 HA MET 27 4.234 -4.588 1.150 195 1HB MET 27 1HB MET 27 2.998 -5.852 3.576 196 2HB MET 27 2HB MET 27 4.653 -5.267 3.567 197 1HG MET 27 1HG MET 27 3.813 -3.026 2.937 198 2HG MET 27 2HG MET 27 2.168 -3.640 3.091 199 1HE MET 27 1HE MET 27 5.485 -3.817 4.663 200 2HE MET 27 2HE MET 27 5.344 -2.598 5.930 201 3HE MET 27 3HE MET 27 5.107 -4.303 6.316 202 H TRP 28 H TRP 28 6.170 -5.490 0.920 203 HA TRP 28 HA TRP 28 6.829 -8.168 1.615 204 1HB TRP 28 1HB TRP 28 7.142 -9.111 -0.647 205 2HB TRP 28 2HB TRP 28 5.451 -8.790 -0.298 206 HD1 TRP 28 HD1 TRP 28 5.841 -5.569 -1.009 207 HE1 TRP 28 HE1 TRP 28 5.836 -4.932 -3.504 208 HE3 TRP 28 HE3 TRP 28 6.942 -10.127 -3.012 209 HZ2 TRP 28 HZ2 TRP 28 6.255 -6.183 -5.981 210 HZ3 TRP 28 HZ3 TRP 28 7.124 -10.330 -5.458 211 HH2 TRP 28 HH2 TRP 28 6.785 -8.397 -6.913 212 H CYS 29 H CYS 29 8.960 -8.057 2.076 213 HA CYS 29 HA CYS 29 10.443 -5.821 1.573 214 1HB CYS 29 1HB CYS 29 11.521 -8.558 2.152 215 2HB CYS 29 2HB CYS 29 12.466 -7.097 2.158 216 H ASP 30 H ASP 30 11.012 -4.988 -0.266 217 HA ASP 30 HA ASP 30 11.647 -6.569 -2.584 218 1HB ASP 30 1HB ASP 30 12.515 -4.333 -3.473 219 2HB ASP 30 2HB ASP 30 10.802 -4.370 -3.077 220 H ALA 31 H ALA 31 13.741 -7.073 -3.258 221 HA ALA 31 HA ALA 31 15.597 -7.923 -1.568 222 1HB ALA 31 1HB ALA 31 16.184 -8.480 -3.682 223 2HB ALA 31 2HB ALA 31 17.324 -7.156 -3.446 224 3HB ALA 31 3HB ALA 31 15.821 -6.879 -4.325 225 H PHE 32 H PHE 32 15.058 -6.095 0.002 226 HA PHE 32 HA PHE 32 17.432 -4.758 0.614 227 1HB PHE 32 1HB PHE 32 15.377 -3.337 -0.894 228 2HB PHE 32 2HB PHE 32 15.888 -2.525 0.564 229 HD1 PHE 32 HD1 PHE 32 18.712 -3.096 0.740 230 HD2 PHE 32 HD2 PHE 32 16.330 -2.265 -2.686 231 HE1 PHE 32 HE1 PHE 32 20.708 -2.272 -0.444 232 HE2 PHE 32 HE2 PHE 32 18.319 -1.439 -3.876 233 HZ PHE 32 HZ PHE 32 20.512 -1.443 -2.754 234 H CYS 33 H CYS 33 15.132 -6.519 1.703 235 HA CYS 33 HA CYS 33 13.520 -5.337 3.529 236 1HB CYS 33 1HB CYS 33 13.931 -7.841 3.010 237 2HB CYS 33 2HB CYS 33 15.074 -7.762 4.346 238 H SER 34 H SER 34 16.977 -5.433 3.654 239 HA SER 34 HA SER 34 17.160 -4.692 6.434 240 1HB SER 34 1HB SER 34 19.279 -4.511 4.275 241 2HB SER 34 2HB SER 34 19.545 -4.463 6.018 242 HG SER 34 HG SER 34 19.772 -6.558 4.710 243 H SER 35 H SER 35 17.593 -3.079 3.295 244 HA SER 35 HA SER 35 17.616 -0.463 4.606 245 1HB SER 35 1HB SER 35 18.499 -1.506 1.971 246 2HB SER 35 2HB SER 35 17.861 0.138 1.982 247 HG SER 35 HG SER 35 19.421 0.716 3.461 248 H ARG 36 H ARG 36 16.218 -1.198 1.424 249 HA ARG 36 HA ARG 36 13.906 0.367 1.987 250 1HB ARG 36 1HB ARG 36 14.448 -1.535 -0.294 251 2HB ARG 36 2HB ARG 36 13.063 -0.491 -0.186 252 1HG ARG 36 1HG ARG 36 14.793 0.396 -1.672 253 2HG ARG 36 2HG ARG 36 14.437 1.471 -0.321 254 1HD ARG 36 1HD ARG 36 16.443 0.885 0.788 255 2HD ARG 36 2HD ARG 36 16.722 -0.482 -0.288 256 HE ARG 36 HE ARG 36 16.646 2.028 -1.664 257 1HH1 ARG 36 1HH1 ARG 36 18.677 -0.137 0.171 258 2HH1 ARG 36 2HH1 ARG 36 20.147 0.437 -0.542 259 1HH2 ARG 36 1HH2 ARG 36 18.577 2.783 -2.603 260 2HH2 ARG 36 2HH2 ARG 36 20.091 2.098 -2.115 261 H GLY 37 H GLY 37 13.836 -3.071 0.830 262 1HA GLY 37 1HA GLY 37 12.487 -3.803 3.273 263 2HA GLY 37 2HA GLY 37 12.885 -4.859 1.931 264 H LYS 38 H LYS 38 10.449 -4.414 3.595 265 HA LYS 38 HA LYS 38 8.580 -5.264 1.913 266 1HB LYS 38 1HB LYS 38 7.388 -3.420 3.792 267 2HB LYS 38 2HB LYS 38 7.153 -5.140 3.592 268 1HG LYS 38 1HG LYS 38 9.347 -5.440 4.812 269 2HG LYS 38 2HG LYS 38 9.241 -3.727 5.219 270 1HD LYS 38 1HD LYS 38 7.664 -4.085 6.773 271 2HD LYS 38 2HD LYS 38 6.781 -5.213 5.743 272 1HE LYS 38 1HE LYS 38 9.366 -6.108 6.901 273 2HE LYS 38 2HE LYS 38 7.973 -5.993 7.976 274 1HZ LYS 38 1HZ LYS 38 7.700 -7.393 5.406 275 2HZ LYS 38 2HZ LYS 38 8.448 -8.182 6.701 276 3HZ LYS 38 3HZ LYS 38 6.855 -7.632 6.852 277 H VAL 39 H VAL 39 8.038 -4.567 0.017 278 HA VAL 39 HA VAL 39 7.948 -1.811 -0.723 279 HB VAL 39 HB VAL 39 6.419 -3.915 -2.196 280 1HG1 VAL 39 1HG1 VAL 39 6.443 -1.527 -2.906 281 2HG1 VAL 39 2HG1 VAL 39 8.161 -1.717 -3.248 282 3HG1 VAL 39 3HG1 VAL 39 6.978 -2.677 -4.134 283 1HG2 VAL 39 1HG2 VAL 39 9.290 -3.978 -1.672 284 2HG2 VAL 39 2HG2 VAL 39 8.220 -5.245 -2.269 285 3HG2 VAL 39 3HG2 VAL 39 8.873 -4.048 -3.384 286 H VAL 40 H VAL 40 6.195 -0.464 -0.736 287 HA VAL 40 HA VAL 40 3.779 -1.497 0.571 288 HB VAL 40 HB VAL 40 4.672 1.377 0.371 289 1HG1 VAL 40 1HG1 VAL 40 2.326 0.000 1.506 290 2HG1 VAL 40 2HG1 VAL 40 3.061 1.241 2.522 291 3HG1 VAL 40 3HG1 VAL 40 2.495 1.649 0.902 292 1HG2 VAL 40 1HG2 VAL 40 5.062 -0.651 2.564 293 2HG2 VAL 40 2HG2 VAL 40 6.308 0.215 1.666 294 3HG2 VAL 40 3HG2 VAL 40 5.262 1.086 2.787 295 H GLU 41 H GLU 41 2.011 -1.692 -0.534 296 HA GLU 41 HA GLU 41 1.564 -0.032 -2.925 297 1HB GLU 41 1HB GLU 41 1.988 -2.719 -3.014 298 2HB GLU 41 2HB GLU 41 0.238 -2.667 -2.852 299 1HG GLU 41 1HG GLU 41 -0.067 -1.741 -4.901 300 2HG GLU 41 2HG GLU 41 1.474 -0.886 -4.868 301 H LEU 42 H LEU 42 -0.778 0.196 -3.461 302 HA LEU 42 HA LEU 42 -2.535 0.013 -1.111 303 1HB LEU 42 1HB LEU 42 -1.633 2.416 -2.568 304 2HB LEU 42 2HB LEU 42 -3.350 2.338 -2.264 305 HG LEU 42 HG LEU 42 -3.110 2.565 0.006 306 1HD1 LEU 42 1HD1 LEU 42 -0.304 1.529 -0.293 307 2HD1 LEU 42 2HD1 LEU 42 -0.944 2.201 1.206 308 3HD1 LEU 42 3HD1 LEU 42 -1.664 0.748 0.514 309 1HD2 LEU 42 1HD2 LEU 42 -2.056 4.463 -1.474 310 2HD2 LEU 42 2HD2 LEU 42 -1.992 4.533 0.287 311 3HD2 LEU 42 3HD2 LEU 42 -0.584 3.990 -0.626 312 H GLY 43 H GLY 43 -4.841 0.256 -1.648 313 1HA GLY 43 1HA GLY 43 -5.537 -1.264 -3.963 314 2HA GLY 43 2HA GLY 43 -5.918 0.431 -4.185 315 H CYS 44 H CYS 44 -8.105 -0.501 -4.418 316 HA CYS 44 HA CYS 44 -9.403 -0.738 -1.783 317 1HB CYS 44 1HB CYS 44 -10.046 1.296 -2.988 318 2HB CYS 44 2HB CYS 44 -10.531 0.332 -4.379 319 H ALA 45 H ALA 45 -11.281 -2.133 -1.646 320 HA ALA 45 HA ALA 45 -11.990 -3.910 -3.743 321 1HB ALA 45 1HB ALA 45 -9.908 -4.985 -3.391 322 2HB ALA 45 2HB ALA 45 -10.107 -4.949 -1.639 323 3HB ALA 45 3HB ALA 45 -11.129 -5.998 -2.621 324 H ALA 46 H ALA 46 -13.539 -5.565 -3.038 325 HA ALA 46 HA ALA 46 -15.122 -4.566 -0.798 326 1HB ALA 46 1HB ALA 46 -16.944 -5.269 -1.905 327 2HB ALA 46 2HB ALA 46 -15.860 -5.331 -3.294 328 3HB ALA 46 3HB ALA 46 -16.198 -6.796 -2.372 329 H THR 47 H THR 47 -12.821 -6.935 -1.327 330 HA THR 47 HA THR 47 -13.519 -8.250 1.163 331 HB THR 47 HB THR 47 -14.662 -9.736 -0.260 332 HG1 THR 47 HG1 THR 47 -12.101 -10.918 -0.152 333 1HG2 THR 47 1HG2 THR 47 -13.752 -8.900 -2.405 334 2HG2 THR 47 2HG2 THR 47 -12.294 -9.846 -2.106 335 3HG2 THR 47 3HG2 THR 47 -13.846 -10.658 -2.306 336 H CYS 48 H CYS 48 -11.760 -9.891 1.740 337 HA CYS 48 HA CYS 48 -9.179 -8.652 1.146 338 1HB CYS 48 1HB CYS 48 -10.023 -8.960 3.526 339 2HB CYS 48 2HB CYS 48 -9.722 -10.671 3.282 340 HA PRO 49 HA PRO 49 -8.501 -12.222 -1.538 341 1HB PRO 49 1HB PRO 49 -5.975 -11.486 -2.289 342 2HB PRO 49 2HB PRO 49 -7.447 -10.873 -3.046 343 1HG PRO 49 1HG PRO 49 -5.726 -9.610 -0.950 344 2HG PRO 49 2HG PRO 49 -6.490 -8.869 -2.369 345 1HD PRO 49 1HD PRO 49 -7.525 -8.604 0.097 346 2HD PRO 49 2HD PRO 49 -8.559 -8.733 -1.340 347 H SER 50 H SER 50 -7.066 -14.028 -1.561 348 HA SER 50 HA SER 50 -6.253 -14.886 0.991 349 1HB SER 50 1HB SER 50 -4.937 -16.604 -0.645 350 2HB SER 50 2HB SER 50 -6.655 -16.736 -0.267 351 HG SER 50 HG SER 50 -6.888 -16.579 -2.349 352 H LYS 51 H LYS 51 -3.872 -16.046 0.939 353 HA LYS 51 HA LYS 51 -2.042 -13.784 0.903 354 1HB LYS 51 1HB LYS 51 -2.412 -15.996 2.594 355 2HB LYS 51 2HB LYS 51 -0.828 -16.168 1.863 356 1HG LYS 51 1HG LYS 51 -0.356 -13.807 2.573 357 2HG LYS 51 2HG LYS 51 -1.855 -13.874 3.501 358 1HD LYS 51 1HD LYS 51 0.360 -15.886 3.826 359 2HD LYS 51 2HD LYS 51 0.271 -14.399 4.772 360 1HE LYS 51 1HE LYS 51 -0.847 -15.774 6.194 361 2HE LYS 51 2HE LYS 51 -2.205 -15.278 5.184 362 1HZ LYS 51 1HZ LYS 51 -1.307 -17.387 3.827 363 2HZ LYS 51 2HZ LYS 51 -0.904 -17.861 5.401 364 3HZ LYS 51 3HZ LYS 51 -2.507 -17.484 5.014 365 H LYS 52 H LYS 52 -0.422 -13.544 -0.509 366 HA LYS 52 HA LYS 52 -0.240 -15.266 -2.774 367 1HB LYS 52 1HB LYS 52 1.002 -12.739 -1.878 368 2HB LYS 52 2HB LYS 52 1.983 -13.715 -2.963 369 1HG LYS 52 1HG LYS 52 -0.174 -13.805 -4.407 370 2HG LYS 52 2HG LYS 52 -0.645 -12.393 -3.460 371 1HD LYS 52 1HD LYS 52 1.515 -11.327 -4.106 372 2HD LYS 52 2HD LYS 52 1.818 -12.700 -5.173 373 1HE LYS 52 1HE LYS 52 0.349 -11.983 -6.719 374 2HE LYS 52 2HE LYS 52 -0.809 -11.433 -5.509 375 1HZ LYS 52 1HZ LYS 52 1.360 -9.729 -5.332 376 2HZ LYS 52 2HZ LYS 52 1.070 -9.922 -6.988 377 3HZ LYS 52 3HZ LYS 52 -0.166 -9.379 -5.970 378 HA PRO 53 HA PRO 53 2.893 -18.227 -1.909 379 1HB PRO 53 1HB PRO 53 4.991 -17.398 -3.589 380 2HB PRO 53 2HB PRO 53 3.708 -18.538 -3.998 381 1HG PRO 53 1HG PRO 53 3.934 -15.636 -4.618 382 2HG PRO 53 2HG PRO 53 3.216 -16.941 -5.580 383 1HD PRO 53 1HD PRO 53 1.689 -15.181 -4.266 384 2HD PRO 53 2HD PRO 53 1.223 -16.890 -4.383 385 H TYR 54 H TYR 54 3.981 -14.880 -2.045 386 HA TYR 54 HA TYR 54 5.318 -15.171 0.473 387 1HB TYR 54 1HB TYR 54 7.409 -15.472 -0.215 388 2HB TYR 54 2HB TYR 54 6.812 -15.621 -1.855 389 HD1 TYR 54 HD1 TYR 54 6.920 -13.698 -3.392 390 HD2 TYR 54 HD2 TYR 54 8.563 -13.503 0.528 391 HE1 TYR 54 HE1 TYR 54 8.217 -11.713 -4.040 392 HE2 TYR 54 HE2 TYR 54 9.860 -11.513 -0.108 393 HH TYR 54 HH TYR 54 9.659 -9.665 -1.860 394 H GLU 55 H GLU 55 3.194 -13.582 -0.941 395 HA GLU 55 HA GLU 55 4.171 -10.912 -0.171 396 1HB GLU 55 1HB GLU 55 3.060 -11.790 -2.680 397 2HB GLU 55 2HB GLU 55 2.015 -10.575 -1.957 398 1HG GLU 55 1HG GLU 55 4.945 -10.074 -2.066 399 2HG GLU 55 2HG GLU 55 3.987 -9.901 -3.535 400 H GLU 56 H GLU 56 2.896 -9.768 1.219 401 HA GLU 56 HA GLU 56 0.332 -10.990 1.978 402 1HB GLU 56 1HB GLU 56 1.334 -9.357 4.089 403 2HB GLU 56 2HB GLU 56 1.055 -11.088 4.074 404 1HG GLU 56 1HG GLU 56 3.341 -11.303 2.997 405 2HG GLU 56 2HG GLU 56 3.584 -9.616 3.449 406 H VAL 57 H VAL 57 -1.435 -9.704 2.192 407 HA VAL 57 HA VAL 57 -1.079 -6.815 1.758 408 HB VAL 57 HB VAL 57 -3.564 -7.251 0.741 409 1HG1 VAL 57 1HG1 VAL 57 -1.850 -5.841 -0.237 410 2HG1 VAL 57 2HG1 VAL 57 -0.964 -7.266 -0.778 411 3HG1 VAL 57 3HG1 VAL 57 -2.550 -6.902 -1.459 412 1HG2 VAL 57 1HG2 VAL 57 -1.879 -9.593 -0.130 413 2HG2 VAL 57 2HG2 VAL 57 -3.362 -9.669 0.821 414 3HG2 VAL 57 3HG2 VAL 57 -3.414 -9.110 -0.851 415 H THR 58 H THR 58 -2.176 -5.511 3.129 416 HA THR 58 HA THR 58 -3.837 -6.820 5.155 417 HB THR 58 HB THR 58 -3.575 -4.395 6.174 418 HG1 THR 58 HG1 THR 58 -1.222 -4.609 4.617 419 1HG2 THR 58 1HG2 THR 58 -2.160 -6.814 6.506 420 2HG2 THR 58 2HG2 THR 58 -0.992 -5.493 6.564 421 3HG2 THR 58 3HG2 THR 58 -2.375 -5.496 7.659 422 H CYS 59 H CYS 59 -5.956 -6.721 4.941 423 HA CYS 59 HA CYS 59 -7.145 -4.544 3.389 424 1HB CYS 59 1HB CYS 59 -8.717 -6.942 4.188 425 2HB CYS 59 2HB CYS 59 -8.789 -5.990 2.720 426 H CYS 60 H CYS 60 -8.630 -3.180 4.285 427 HA CYS 60 HA CYS 60 -9.516 -3.744 7.033 428 1HB CYS 60 1HB CYS 60 -9.300 -1.172 7.348 429 2HB CYS 60 2HB CYS 60 -7.859 -2.174 7.477 430 H SER 61 H SER 61 -11.395 -2.367 7.690 431 HA SER 61 HA SER 61 -13.137 -1.858 5.367 432 1HB SER 61 1HB SER 61 -15.005 -2.681 6.586 433 2HB SER 61 2HB SER 61 -13.712 -3.853 6.839 434 HG SER 61 HG SER 61 -13.891 -3.475 8.885 435 H THR 62 H THR 62 -11.915 0.313 5.749 436 HA THR 62 HA THR 62 -13.828 2.110 6.888 437 HB THR 62 HB THR 62 -11.188 2.637 8.086 438 HG1 THR 62 HG1 THR 62 -12.793 0.574 9.170 439 1HG2 THR 62 1HG2 THR 62 -14.031 2.952 8.810 440 2HG2 THR 62 2HG2 THR 62 -12.879 2.737 10.128 441 3HG2 THR 62 3HG2 THR 62 -12.679 4.069 8.989 442 H ASP 63 H ASP 63 -13.055 4.435 6.654 443 HA ASP 63 HA ASP 63 -11.994 4.753 4.014 444 1HB ASP 63 1HB ASP 63 -13.738 6.225 5.274 445 2HB ASP 63 2HB ASP 63 -12.321 7.033 5.933 446 H LYS 64 H LYS 64 -10.112 5.880 3.418 447 HA LYS 64 HA LYS 64 -7.790 5.917 3.495 448 1HB LYS 64 1HB LYS 64 -7.121 7.600 5.426 449 2HB LYS 64 2HB LYS 64 -8.003 8.149 4.007 450 1HG LYS 64 1HG LYS 64 -10.100 7.998 5.257 451 2HG LYS 64 2HG LYS 64 -9.208 7.453 6.679 452 1HD LYS 64 1HD LYS 64 -7.872 9.741 6.017 453 2HD LYS 64 2HD LYS 64 -9.530 10.146 5.570 454 1HE LYS 64 1HE LYS 64 -9.659 10.739 7.748 455 2HE LYS 64 2HE LYS 64 -9.983 9.019 7.956 456 1HZ LYS 64 1HZ LYS 64 -7.481 8.802 8.236 457 2HZ LYS 64 2HZ LYS 64 -7.461 10.482 8.437 458 3HZ LYS 64 3HZ LYS 64 -8.338 9.511 9.510 459 H CYS 65 H CYS 65 -8.710 3.615 4.770 460 HA CYS 65 HA CYS 65 -7.297 3.352 7.281 461 1HB CYS 65 1HB CYS 65 -8.413 1.256 7.492 462 2HB CYS 65 2HB CYS 65 -9.587 2.417 6.896 463 H ASN 66 H ASN 66 -6.492 2.940 4.023 464 HA ASN 66 HA ASN 66 -4.466 0.941 4.718 465 1HB ASN 66 1HB ASN 66 -4.475 0.324 2.361 466 2HB ASN 66 2HB ASN 66 -6.076 0.163 3.062 467 2HD2 ASN 66 2HD2 ASN 66 -4.430 1.185 0.452 468 1HD2 ASN 66 1HD2 ASN 66 -5.549 2.338 -0.184 469 HA PRO 67 HA PRO 67 -2.211 4.780 3.248 470 1HB PRO 67 1HB PRO 67 -1.655 6.114 5.467 471 2HB PRO 67 2HB PRO 67 -3.275 6.210 4.764 472 1HG PRO 67 1HG PRO 67 -2.314 4.602 7.096 473 2HG PRO 67 2HG PRO 67 -3.828 5.504 6.905 474 1HD PRO 67 1HD PRO 67 -3.518 2.761 6.505 475 2HD PRO 67 2HD PRO 67 -4.856 3.750 5.898 476 H HIS 68 H HIS 68 0.074 5.358 3.657 477 HA HIS 68 HA HIS 68 1.719 3.122 3.973 478 1HB HIS 68 1HB HIS 68 2.172 5.557 2.985 479 2HB HIS 68 2HB HIS 68 2.853 5.812 4.587 480 HD1 HIS 68 HD1 HIS 68 5.125 4.816 5.057 481 HD2 HIS 68 HD2 HIS 68 3.526 3.552 1.437 482 HE1 HIS 68 HE1 HIS 68 6.989 3.603 3.886 483 HE2 HIS 68 HE2 HIS 68 5.969 2.763 1.742 484 HA PRO 69 HA PRO 69 1.852 2.404 8.350 485 1HB PRO 69 1HB PRO 69 4.710 1.749 7.816 486 2HB PRO 69 2HB PRO 69 3.477 0.803 8.657 487 1HG PRO 69 1HG PRO 69 4.225 0.158 6.187 488 2HG PRO 69 2HG PRO 69 2.527 0.040 6.683 489 1HD PRO 69 1HD PRO 69 3.868 2.096 4.986 490 2HD PRO 69 2HD PRO 69 2.233 1.417 4.859 491 H LYS 70 H LYS 70 4.152 4.435 6.691 492 HA LYS 70 HA LYS 70 4.585 5.929 9.193 493 1HB LYS 70 1HB LYS 70 6.574 5.339 6.999 494 2HB LYS 70 2HB LYS 70 6.841 6.537 8.256 495 1HG LYS 70 1HG LYS 70 6.252 3.662 8.883 496 2HG LYS 70 2HG LYS 70 7.889 4.255 8.595 497 1HD LYS 70 1HD LYS 70 7.124 6.069 10.383 498 2HD LYS 70 2HD LYS 70 6.054 4.754 10.874 499 1HE LYS 70 1HE LYS 70 7.842 4.188 12.142 500 2HE LYS 70 2HE LYS 70 8.336 3.384 10.653 501 1HZ LYS 70 1HZ LYS 70 9.556 5.483 10.100 502 2HZ LYS 70 2HZ LYS 70 9.252 6.008 11.680 503 3HZ LYS 70 3HZ LYS 70 10.179 4.619 11.414 504 H GLN 71 H GLN 71 2.538 6.405 7.257 505 HA GLN 71 HA GLN 71 2.999 8.232 5.285 506 1HB GLN 71 1HB GLN 71 0.742 7.699 7.099 507 2HB GLN 71 2HB GLN 71 0.704 9.234 6.251 508 1HG GLN 71 1HG GLN 71 1.363 7.433 4.278 509 2HG GLN 71 2HG GLN 71 0.213 6.547 5.277 510 2HE2 GLN 71 2HE2 GLN 71 0.483 8.515 2.684 511 1HE2 GLN 71 1HE2 GLN 71 -1.102 9.202 2.666 512 H ARG 72 H ARG 72 2.249 10.630 5.398 513 HA ARG 72 HA ARG 72 4.180 12.114 6.706 514 1HB ARG 72 1HB ARG 72 2.271 12.670 4.860 515 2HB ARG 72 2HB ARG 72 1.608 13.497 6.263 516 1HG ARG 72 1HG ARG 72 3.536 14.865 6.473 517 2HG ARG 72 2HG ARG 72 4.424 13.902 5.291 518 1HD ARG 72 1HD ARG 72 2.584 14.567 3.644 519 2HD ARG 72 2HD ARG 72 2.128 15.783 4.836 520 HE ARG 72 HE ARG 72 3.968 17.007 4.244 521 1HH1 ARG 72 1HH1 ARG 72 4.316 13.768 2.993 522 2HH1 ARG 72 2HH1 ARG 72 5.728 14.143 2.064 523 1HH2 ARG 72 1HH2 ARG 72 5.825 17.504 3.020 524 2HH2 ARG 72 2HH2 ARG 72 6.586 16.264 2.080 525 HA PRO 73 HA PRO 73 2.763 12.250 10.906 526 1HB PRO 73 1HB PRO 73 4.211 14.355 11.791 527 2HB PRO 73 2HB PRO 73 4.937 12.780 11.447 528 1HG PRO 73 1HG PRO 73 4.877 15.249 9.752 529 2HG PRO 73 2HG PRO 73 6.226 14.141 10.067 530 1HD PRO 73 1HD PRO 73 4.747 14.041 7.797 531 2HD PRO 73 2HD PRO 73 5.487 12.601 8.524 532 H GLY 74 H GLY 74 1.300 13.344 12.190 533 1HA GLY 74 1HA GLY 74 -0.790 14.550 11.957 534 2HA GLY 74 2HA GLY 74 0.051 15.702 10.931 535 H1 TRP 75 H1 TRP 75 4.662 2.326 -10.912 536 H2 TRP 75 H2 TRP 75 6.176 2.066 -11.673 537 H3 TRP 75 H3 TRP 75 5.514 0.861 -10.646 538 HA TRP 75 HA TRP 75 7.224 1.978 -9.510 539 1HB TRP 75 1HB TRP 75 6.875 4.469 -9.075 540 2HB TRP 75 2HB TRP 75 7.370 4.023 -10.703 541 HD1 TRP 75 HD1 TRP 75 3.951 4.581 -8.923 542 HE1 TRP 75 HE1 TRP 75 2.442 5.905 -10.533 543 HE3 TRP 75 HE3 TRP 75 7.157 4.999 -12.882 544 HZ2 TRP 75 HZ2 TRP 75 2.591 6.986 -13.136 545 HZ3 TRP 75 HZ3 TRP 75 6.397 6.194 -14.894 546 HH2 TRP 75 HH2 TRP 75 4.161 7.166 -15.018 547 H ARG 76 H ARG 76 7.097 2.222 -7.275 548 HA ARG 76 HA ARG 76 4.516 2.709 -6.033 549 1HB ARG 76 1HB ARG 76 4.464 0.638 -4.787 550 2HB ARG 76 2HB ARG 76 4.505 0.278 -6.507 551 1HG ARG 76 1HG ARG 76 7.043 0.336 -4.937 552 2HG ARG 76 2HG ARG 76 5.979 -1.069 -4.864 553 1HD ARG 76 1HD ARG 76 6.365 -1.654 -7.033 554 2HD ARG 76 2HD ARG 76 6.655 0.009 -7.544 555 HE ARG 76 HE ARG 76 8.764 -0.583 -5.919 556 1HH1 ARG 76 1HH1 ARG 76 7.398 -2.028 -8.785 557 2HH1 ARG 76 2HH1 ARG 76 8.913 -2.652 -9.344 558 1HH2 ARG 76 1HH2 ARG 76 10.758 -1.403 -6.652 559 2HH2 ARG 76 2HH2 ARG 76 10.821 -2.299 -8.132 560 H TYR 77 H TYR 77 5.095 1.955 -3.442 561 HA TYR 77 HA TYR 77 7.549 3.517 -2.904 562 1HB TYR 77 1HB TYR 77 5.271 3.441 -0.960 563 2HB TYR 77 2HB TYR 77 6.529 4.653 -1.150 564 HD1 TYR 77 HD1 TYR 77 3.635 3.221 -3.031 565 HD2 TYR 77 HD2 TYR 77 5.986 6.655 -2.162 566 HE1 TYR 77 HE1 TYR 77 2.101 4.603 -4.366 567 HE2 TYR 77 HE2 TYR 77 4.458 8.047 -3.493 568 HH TYR 77 HH TYR 77 1.424 6.904 -4.597 569 H TYR 78 H TYR 78 8.772 2.916 -1.046 570 HA TYR 78 HA TYR 78 8.386 0.120 -0.291 571 1HB TYR 78 1HB TYR 78 10.785 1.942 -0.016 572 2HB TYR 78 2HB TYR 78 10.745 0.275 0.526 573 HD1 TYR 78 HD1 TYR 78 8.921 -0.388 -2.073 574 HD2 TYR 78 HD2 TYR 78 12.763 1.296 -1.389 575 HE1 TYR 78 HE1 TYR 78 9.653 -1.166 -4.288 576 HE2 TYR 78 HE2 TYR 78 13.504 0.522 -3.601 577 HH TYR 78 HH TYR 78 12.578 -0.131 -5.729 578 H GLU 79 H GLU 79 8.965 -0.396 2.032 579 HA GLU 79 HA GLU 79 7.219 1.036 3.727 580 1HB GLU 79 1HB GLU 79 7.945 -1.416 3.901 581 2HB GLU 79 2HB GLU 79 9.383 -0.814 4.711 582 1HG GLU 79 1HG GLU 79 6.564 -0.298 5.625 583 2HG GLU 79 2HG GLU 79 7.608 -1.573 6.250 584 H SER 80 H SER 80 10.716 1.093 3.340 585 HA SER 80 HA SER 80 11.027 2.952 5.541 586 1HB SER 80 1HB SER 80 12.702 1.095 4.226 587 2HB SER 80 2HB SER 80 13.435 2.688 4.088 588 HG SER 80 HG SER 80 12.993 2.832 6.435 589 H SER 81 H SER 81 9.560 3.716 3.026 590 HA SER 81 HA SER 81 10.585 6.342 2.818 591 1HB SER 81 1HB SER 81 11.881 4.526 1.170 592 2HB SER 81 2HB SER 81 10.736 5.356 0.125 593 HG SER 81 HG SER 81 12.604 6.624 1.838 594 H LEU 82 H LEU 82 8.956 7.622 2.439 595 HA LEU 82 HA LEU 82 6.435 6.561 1.518 596 1HB LEU 82 1HB LEU 82 7.393 8.974 2.892 597 2HB LEU 82 2HB LEU 82 5.983 9.184 1.866 598 HG LEU 82 HG LEU 82 4.934 7.255 3.086 599 1HD1 LEU 82 1HD1 LEU 82 7.008 6.308 3.996 600 2HD1 LEU 82 2HD1 LEU 82 7.185 7.729 5.026 601 3HD1 LEU 82 3HD1 LEU 82 5.812 6.644 5.247 602 1HD2 LEU 82 1HD2 LEU 82 5.497 9.944 4.102 603 2HD2 LEU 82 2HD2 LEU 82 3.959 9.139 3.794 604 3HD2 LEU 82 3HD2 LEU 82 4.849 8.801 5.277 605 H GLU 83 H GLU 83 9.130 8.033 0.095 606 HA GLU 83 HA GLU 83 7.790 9.536 -1.927 607 1HB GLU 83 1HB GLU 83 10.612 8.638 -1.466 608 2HB GLU 83 2HB GLU 83 10.152 9.310 -3.023 609 1HG GLU 83 1HG GLU 83 10.406 11.348 -2.218 610 2HG GLU 83 2HG GLU 83 9.142 11.038 -1.030 611 HA PRO 84 HA PRO 84 7.055 6.403 -4.946 612 1HB PRO 84 1HB PRO 84 7.950 8.021 -7.174 613 2HB PRO 84 2HB PRO 84 6.297 7.690 -6.653 614 1HG PRO 84 1HG PRO 84 7.477 10.153 -6.485 615 2HG PRO 84 2HG PRO 84 6.166 9.612 -5.422 616 1HD PRO 84 1HD PRO 84 9.115 9.705 -4.899 617 2HD PRO 84 2HD PRO 84 7.768 10.118 -3.820 618 H TYR 85 H TYR 85 8.065 4.731 -5.930 619 HA TYR 85 HA TYR 85 10.944 5.029 -6.469 620 1HB TYR 85 1HB TYR 85 9.463 2.990 -4.878 621 2HB TYR 85 2HB TYR 85 10.896 2.484 -5.762 622 HD1 TYR 85 HD1 TYR 85 9.947 5.461 -3.668 623 HD2 TYR 85 HD2 TYR 85 12.779 2.369 -4.434 624 HE1 TYR 85 HE1 TYR 85 11.359 6.301 -1.842 625 HE2 TYR 85 HE2 TYR 85 14.191 3.204 -2.606 626 HH TYR 85 HH TYR 85 14.043 4.534 -0.622 627 HA PRO 86 HA PRO 86 9.171 3.508 -10.397 628 1HB PRO 86 1HB PRO 86 11.643 4.598 -11.528 629 2HB PRO 86 2HB PRO 86 9.969 5.019 -11.892 630 1HG PRO 86 1HG PRO 86 11.625 6.694 -10.573 631 2HG PRO 86 2HG PRO 86 9.880 6.637 -10.260 632 1HD PRO 86 1HD PRO 86 12.129 5.424 -8.695 633 2HD PRO 86 2HD PRO 86 10.671 6.255 -8.112 634 H ASP 87 H ASP 87 10.217 2.161 -12.159 635 HA ASP 87 HA ASP 87 12.021 0.231 -10.889 636 1HB ASP 87 1HB ASP 87 11.309 -1.239 -12.839 637 2HB ASP 87 2HB ASP 87 10.050 -0.831 -11.677 No H/Q in entry = 637 Start of MODEL 7 1 H1 ILE 1 H1 ILE 1 -16.832 5.296 0.070 2 H2 ILE 1 H2 ILE 1 -16.258 3.711 0.393 3 H3 ILE 1 H3 ILE 1 -17.471 4.401 1.388 4 HA ILE 1 HA ILE 1 -16.004 5.991 2.228 5 HB ILE 1 HB ILE 1 -15.892 3.379 2.844 6 1HG1 ILE 1 1HG1 ILE 1 -13.842 5.113 4.138 7 2HG1 ILE 1 2HG1 ILE 1 -15.524 5.629 4.184 8 1HG2 ILE 1 1HG2 ILE 1 -13.918 3.202 1.202 9 2HG2 ILE 1 2HG2 ILE 1 -12.986 3.973 2.485 10 3HG2 ILE 1 3HG2 ILE 1 -13.781 2.427 2.780 11 1HD1 ILE 1 1HD1 ILE 1 -14.633 2.913 5.094 12 2HD1 ILE 1 2HD1 ILE 1 -14.706 4.314 6.163 13 3HD1 ILE 1 3HD1 ILE 1 -16.175 3.714 5.392 14 H VAL 2 H VAL 2 -13.428 6.150 2.564 15 HA VAL 2 HA VAL 2 -12.299 6.496 -0.130 16 HB VAL 2 HB VAL 2 -11.777 8.221 2.298 17 1HG1 VAL 2 1HG1 VAL 2 -10.384 7.900 -0.236 18 2HG1 VAL 2 2HG1 VAL 2 -10.882 9.565 0.063 19 3HG1 VAL 2 3HG1 VAL 2 -9.875 8.721 1.239 20 1HG2 VAL 2 1HG2 VAL 2 -14.007 8.580 1.379 21 2HG2 VAL 2 2HG2 VAL 2 -12.965 9.969 1.064 22 3HG2 VAL 2 3HG2 VAL 2 -13.315 8.819 -0.226 23 H CYS 3 H CYS 3 -10.448 5.475 -0.526 24 HA CYS 3 HA CYS 3 -8.859 4.516 1.767 25 1HB CYS 3 1HB CYS 3 -9.335 3.076 -0.854 26 2HB CYS 3 2HB CYS 3 -8.331 2.490 0.464 27 H HIS 4 H HIS 4 -6.599 4.001 1.194 28 HA HIS 4 HA HIS 4 -5.502 6.162 -0.420 29 1HB HIS 4 1HB HIS 4 -4.056 4.178 1.341 30 2HB HIS 4 2HB HIS 4 -3.385 5.650 0.649 31 HD1 HIS 4 HD1 HIS 4 -4.987 7.867 1.440 32 HD2 HIS 4 HD2 HIS 4 -4.712 4.560 3.930 33 HE1 HIS 4 HE1 HIS 4 -5.665 8.677 3.715 34 HE2 HIS 4 HE2 HIS 4 -5.252 6.714 5.238 35 H THR 5 H THR 5 -4.373 5.902 -2.265 36 HA THR 5 HA THR 5 -3.880 3.150 -3.169 37 HB THR 5 HB THR 5 -5.850 4.619 -4.239 38 HG1 THR 5 HG1 THR 5 -4.093 2.855 -5.577 39 1HG2 THR 5 1HG2 THR 5 -3.451 5.278 -5.932 40 2HG2 THR 5 2HG2 THR 5 -5.135 5.494 -6.416 41 3HG2 THR 5 3HG2 THR 5 -4.480 6.424 -5.068 42 H THR 6 H THR 6 -2.182 2.867 -4.624 43 HA THR 6 HA THR 6 -0.221 5.065 -4.682 44 HB THR 6 HB THR 6 1.432 3.029 -4.714 45 HG1 THR 6 HG1 THR 6 -0.328 1.502 -4.694 46 1HG2 THR 6 1HG2 THR 6 0.157 4.360 -2.402 47 2HG2 THR 6 2HG2 THR 6 1.166 2.948 -2.088 48 3HG2 THR 6 3HG2 THR 6 1.843 4.349 -2.917 49 H ALA 7 H ALA 7 -2.244 4.016 -6.686 50 HA ALA 7 HA ALA 7 -0.549 2.916 -8.780 51 1HB ALA 7 1HB ALA 7 -2.822 2.028 -8.425 52 2HB ALA 7 2HB ALA 7 -2.584 2.656 -10.056 53 3HB ALA 7 3HB ALA 7 -3.483 3.601 -8.870 54 H THR 8 H THR 8 0.160 5.516 -7.967 55 HA THR 8 HA THR 8 -0.014 6.899 -10.504 56 HB THR 8 HB THR 8 -1.234 8.720 -9.872 57 HG1 THR 8 HG1 THR 8 -0.689 8.473 -7.125 58 1HG2 THR 8 1HG2 THR 8 -2.710 6.797 -9.281 59 2HG2 THR 8 2HG2 THR 8 -2.191 6.994 -7.604 60 3HG2 THR 8 3HG2 THR 8 -3.063 8.294 -8.418 61 H SER 9 H SER 9 1.143 9.308 -9.831 62 HA SER 9 HA SER 9 3.811 8.502 -9.225 63 1HB SER 9 1HB SER 9 2.622 10.770 -10.379 64 2HB SER 9 2HB SER 9 3.467 11.350 -8.946 65 HG SER 9 HG SER 9 5.350 10.725 -9.780 66 HA PRO 10 HA PRO 10 3.025 10.343 -4.958 67 1HB PRO 10 1HB PRO 10 0.942 12.141 -4.679 68 2HB PRO 10 2HB PRO 10 2.603 12.574 -5.066 69 1HG PRO 10 1HG PRO 10 0.322 12.867 -6.735 70 2HG PRO 10 2HG PRO 10 2.014 13.140 -7.182 71 1HD PRO 10 1HD PRO 10 0.295 10.749 -7.630 72 2HD PRO 10 2HD PRO 10 1.616 11.390 -8.623 73 H ILE 11 H ILE 11 1.840 9.605 -3.128 74 HA ILE 11 HA ILE 11 -0.324 7.813 -3.804 75 HB ILE 11 HB ILE 11 -0.199 7.062 -1.506 76 1HG1 ILE 11 1HG1 ILE 11 1.906 9.198 -1.156 77 2HG1 ILE 11 2HG1 ILE 11 0.302 9.203 -0.424 78 1HG2 ILE 11 1HG2 ILE 11 1.447 6.367 -3.353 79 2HG2 ILE 11 2HG2 ILE 11 2.630 7.300 -2.436 80 3HG2 ILE 11 3HG2 ILE 11 1.817 5.927 -1.685 81 1HD1 ILE 11 1HD1 ILE 11 1.604 6.746 0.179 82 2HD1 ILE 11 2HD1 ILE 11 2.666 8.093 0.593 83 3HD1 ILE 11 3HD1 ILE 11 1.041 8.010 1.275 84 H SER 12 H SER 12 -2.428 8.148 -3.483 85 HA SER 12 HA SER 12 -3.274 10.280 -1.658 86 1HB SER 12 1HB SER 12 -4.930 11.044 -3.438 87 2HB SER 12 2HB SER 12 -3.241 11.471 -3.711 88 HG SER 12 HG SER 12 -3.139 9.558 -5.061 89 H ALA 13 H ALA 13 -5.784 10.321 -1.594 90 HA ALA 13 HA ALA 13 -6.869 7.602 -1.793 91 1HB ALA 13 1HB ALA 13 -6.334 9.086 0.649 92 2HB ALA 13 2HB ALA 13 -8.017 8.576 0.522 93 3HB ALA 13 3HB ALA 13 -6.725 7.381 0.426 94 H VAL 14 H VAL 14 -9.075 7.477 -2.190 95 HA VAL 14 HA VAL 14 -10.645 9.926 -2.220 96 HB VAL 14 HB VAL 14 -9.421 9.547 -4.498 97 1HG1 VAL 14 1HG1 VAL 14 -10.208 7.165 -4.635 98 2HG1 VAL 14 2HG1 VAL 14 -11.830 7.798 -4.920 99 3HG1 VAL 14 3HG1 VAL 14 -10.532 8.145 -6.067 100 1HG2 VAL 14 1HG2 VAL 14 -11.591 10.969 -3.723 101 2HG2 VAL 14 2HG2 VAL 14 -10.875 11.038 -5.334 102 3HG2 VAL 14 3HG2 VAL 14 -12.264 9.993 -5.029 103 H THR 15 H THR 15 -12.868 9.383 -3.246 104 HA THR 15 HA THR 15 -13.978 7.222 -1.703 105 HB THR 15 HB THR 15 -15.788 8.530 -3.577 106 HG1 THR 15 HG1 THR 15 -14.466 10.185 -1.697 107 1HG2 THR 15 1HG2 THR 15 -15.644 8.309 -0.591 108 2HG2 THR 15 2HG2 THR 15 -16.901 9.216 -1.431 109 3HG2 THR 15 3HG2 THR 15 -16.739 7.480 -1.698 110 H CYS 16 H CYS 16 -13.660 5.233 -2.517 111 HA CYS 16 HA CYS 16 -13.489 4.686 -5.303 112 1HB CYS 16 1HB CYS 16 -14.106 2.485 -3.389 113 2HB CYS 16 2HB CYS 16 -12.972 2.523 -4.727 114 HA PRO 17 HA PRO 17 -17.811 4.387 -6.258 115 1HB PRO 17 1HB PRO 17 -17.613 2.793 -8.467 116 2HB PRO 17 2HB PRO 17 -17.262 4.523 -8.481 117 1HG PRO 17 1HG PRO 17 -15.375 2.207 -8.301 118 2HG PRO 17 2HG PRO 17 -15.234 3.695 -9.257 119 1HD PRO 17 1HD PRO 17 -13.905 3.360 -6.941 120 2HD PRO 17 2HD PRO 17 -14.534 4.944 -7.440 121 HA PRO 18 HA PRO 18 -19.782 0.701 -4.818 122 1HB PRO 18 1HB PRO 18 -20.666 -0.470 -7.261 123 2HB PRO 18 2HB PRO 18 -21.608 0.505 -6.132 124 1HG PRO 18 1HG PRO 18 -20.253 1.304 -8.645 125 2HG PRO 18 2HG PRO 18 -21.698 1.984 -7.877 126 1HD PRO 18 1HD PRO 18 -19.361 3.284 -7.835 127 2HD PRO 18 2HD PRO 18 -20.455 3.317 -6.436 128 H GLY 19 H GLY 19 -17.589 0.409 -7.534 129 1HA GLY 19 1HA GLY 19 -15.970 -1.138 -8.023 130 2HA GLY 19 2HA GLY 19 -17.179 -2.339 -7.596 131 H GLU 20 H GLU 20 -15.308 0.075 -5.726 132 HA GLU 20 HA GLU 20 -14.406 -2.148 -4.005 133 1HB GLU 20 1HB GLU 20 -12.943 0.448 -4.112 134 2HB GLU 20 2HB GLU 20 -12.338 -1.158 -3.742 135 1HG GLU 20 1HG GLU 20 -11.522 -1.220 -5.796 136 2HG GLU 20 2HG GLU 20 -13.182 -1.339 -6.376 137 H ASN 21 H ASN 21 -14.720 -2.031 -1.897 138 HA ASN 21 HA ASN 21 -15.866 0.431 -0.781 139 1HB ASN 21 1HB ASN 21 -17.036 -2.159 -0.955 140 2HB ASN 21 2HB ASN 21 -16.804 -1.742 0.732 141 2HD2 ASN 21 2HD2 ASN 21 -19.254 -2.021 0.216 142 1HD2 ASN 21 1HD2 ASN 21 -20.084 -0.535 -0.039 143 H LEU 22 H LEU 22 -13.560 -2.086 -0.516 144 HA LEU 22 HA LEU 22 -12.878 -1.256 2.214 145 1HB LEU 22 1HB LEU 22 -12.179 -3.775 0.714 146 2HB LEU 22 2HB LEU 22 -11.679 -3.397 2.344 147 HG LEU 22 HG LEU 22 -14.583 -3.553 1.611 148 1HD1 LEU 22 1HD1 LEU 22 -13.559 -5.663 0.941 149 2HD1 LEU 22 2HD1 LEU 22 -12.829 -5.822 2.538 150 3HD1 LEU 22 3HD1 LEU 22 -14.583 -5.872 2.361 151 1HD2 LEU 22 1HD2 LEU 22 -13.021 -3.746 4.176 152 2HD2 LEU 22 2HD2 LEU 22 -14.198 -2.517 3.712 153 3HD2 LEU 22 3HD2 LEU 22 -14.729 -4.165 4.043 154 H CYS 23 H CYS 23 -10.492 -1.431 2.695 155 HA CYS 23 HA CYS 23 -8.932 -0.330 0.446 156 1HB CYS 23 1HB CYS 23 -8.212 0.152 3.319 157 2HB CYS 23 2HB CYS 23 -7.832 1.124 1.903 158 H TYR 24 H TYR 24 -6.632 -0.886 0.402 159 HA TYR 24 HA TYR 24 -5.876 -3.155 2.069 160 1HB TYR 24 1HB TYR 24 -5.383 -4.644 0.336 161 2HB TYR 24 2HB TYR 24 -6.940 -3.963 -0.114 162 HD1 TYR 24 HD1 TYR 24 -3.275 -3.417 -0.728 163 HD2 TYR 24 HD2 TYR 24 -7.238 -3.191 -2.272 164 HE1 TYR 24 HE1 TYR 24 -2.375 -2.809 -2.927 165 HE2 TYR 24 HE2 TYR 24 -6.344 -2.574 -4.477 166 HH TYR 24 HH TYR 24 -3.605 -1.370 -5.084 167 H ARG 25 H ARG 25 -3.713 -3.503 2.322 168 HA ARG 25 HA ARG 25 -1.828 -1.686 1.014 169 1HB ARG 25 1HB ARG 25 -2.485 -0.666 3.186 170 2HB ARG 25 2HB ARG 25 -1.941 -2.122 4.008 171 1HG ARG 25 1HG ARG 25 0.283 -1.512 2.627 172 2HG ARG 25 2HG ARG 25 -0.391 0.102 2.861 173 1HD ARG 25 1HD ARG 25 0.310 -1.925 4.976 174 2HD ARG 25 2HD ARG 25 1.067 -0.358 4.697 175 HE ARG 25 HE ARG 25 -1.742 -0.199 5.287 176 1HH1 ARG 25 1HH1 ARG 25 1.466 -0.343 6.655 177 2HH1 ARG 25 2HH1 ARG 25 1.001 0.409 8.143 178 1HH2 ARG 25 1HH2 ARG 25 -2.356 0.791 7.242 179 2HH2 ARG 25 2HH2 ARG 25 -1.171 1.053 8.478 180 H LYS 26 H LYS 26 -0.574 -3.128 -0.029 181 HA LYS 26 HA LYS 26 0.047 -5.683 1.238 182 1HB LYS 26 1HB LYS 26 -0.682 -5.488 -1.170 183 2HB LYS 26 2HB LYS 26 0.874 -4.749 -1.505 184 1HG LYS 26 1HG LYS 26 1.373 -7.142 -0.091 185 2HG LYS 26 2HG LYS 26 0.190 -7.507 -1.346 186 1HD LYS 26 1HD LYS 26 2.057 -5.877 -2.607 187 2HD LYS 26 2HD LYS 26 3.023 -6.934 -1.577 188 1HE LYS 26 1HE LYS 26 2.711 -8.652 -2.952 189 2HE LYS 26 2HE LYS 26 0.962 -8.444 -2.892 190 1HZ LYS 26 1HZ LYS 26 1.663 -6.442 -4.510 191 2HZ LYS 26 2HZ LYS 26 2.860 -7.572 -4.900 192 3HZ LYS 26 3HZ LYS 26 1.227 -7.982 -5.058 193 H MET 27 H MET 27 2.144 -6.468 1.553 194 HA MET 27 HA MET 27 4.353 -4.597 1.271 195 1HB MET 27 1HB MET 27 3.313 -5.617 3.878 196 2HB MET 27 2HB MET 27 5.025 -5.275 3.695 197 1HG MET 27 1HG MET 27 4.718 -3.040 3.631 198 2HG MET 27 2HG MET 27 3.162 -3.164 2.813 199 1HE MET 27 1HE MET 27 4.758 -1.803 5.497 200 2HE MET 27 2HE MET 27 3.787 -1.968 6.961 201 3HE MET 27 3HE MET 27 4.909 -3.248 6.498 202 H TRP 28 H TRP 28 6.303 -5.505 0.990 203 HA TRP 28 HA TRP 28 6.997 -8.164 1.721 204 1HB TRP 28 1HB TRP 28 7.143 -9.210 -0.489 205 2HB TRP 28 2HB TRP 28 5.479 -8.797 -0.107 206 HD1 TRP 28 HD1 TRP 28 5.798 -5.683 -0.957 207 HE1 TRP 28 HE1 TRP 28 5.816 -5.116 -3.471 208 HE3 TRP 28 HE3 TRP 28 7.118 -10.253 -2.805 209 HZ2 TRP 28 HZ2 TRP 28 6.336 -6.423 -5.903 210 HZ3 TRP 28 HZ3 TRP 28 7.359 -10.515 -5.241 211 HH2 TRP 28 HH2 TRP 28 6.974 -8.640 -6.758 212 H CYS 29 H CYS 29 9.144 -8.056 2.037 213 HA CYS 29 HA CYS 29 10.606 -5.843 1.396 214 1HB CYS 29 1HB CYS 29 11.685 -8.575 1.999 215 2HB CYS 29 2HB CYS 29 12.657 -7.137 1.886 216 H ASP 30 H ASP 30 11.185 -5.044 -0.441 217 HA ASP 30 HA ASP 30 11.672 -6.690 -2.767 218 1HB ASP 30 1HB ASP 30 12.493 -4.441 -3.732 219 2HB ASP 30 2HB ASP 30 10.782 -4.555 -3.346 220 H ALA 31 H ALA 31 13.772 -7.056 -3.607 221 HA ALA 31 HA ALA 31 15.722 -7.903 -2.022 222 1HB ALA 31 1HB ALA 31 16.161 -8.349 -4.216 223 2HB ALA 31 2HB ALA 31 17.359 -7.090 -3.915 224 3HB ALA 31 3HB ALA 31 15.848 -6.692 -4.732 225 H PHE 32 H PHE 32 15.180 -6.099 -0.367 226 HA PHE 32 HA PHE 32 17.567 -4.767 0.201 227 1HB PHE 32 1HB PHE 32 15.620 -3.320 -1.349 228 2HB PHE 32 2HB PHE 32 15.869 -2.561 0.205 229 HD1 PHE 32 HD1 PHE 32 18.743 -3.184 0.639 230 HD2 PHE 32 HD2 PHE 32 16.662 -1.848 -2.821 231 HE1 PHE 32 HE1 PHE 32 20.813 -2.153 -0.202 232 HE2 PHE 32 HE2 PHE 32 18.727 -0.814 -3.671 233 HZ PHE 32 HZ PHE 32 20.807 -0.966 -2.360 234 H CYS 33 H CYS 33 15.288 -6.526 1.341 235 HA CYS 33 HA CYS 33 13.716 -5.401 3.212 236 1HB CYS 33 1HB CYS 33 14.225 -7.889 2.717 237 2HB CYS 33 2HB CYS 33 15.390 -7.741 4.027 238 H SER 34 H SER 34 17.185 -5.384 3.287 239 HA SER 34 HA SER 34 17.395 -4.609 6.047 240 1HB SER 34 1HB SER 34 19.436 -4.346 3.822 241 2HB SER 34 2HB SER 34 19.756 -4.226 5.552 242 HG SER 34 HG SER 34 20.227 -6.310 4.620 243 H SER 35 H SER 35 17.847 -2.920 2.928 244 HA SER 35 HA SER 35 17.657 -0.339 4.290 245 1HB SER 35 1HB SER 35 19.457 -0.569 2.656 246 2HB SER 35 2HB SER 35 18.296 -1.010 1.407 247 HG SER 35 HG SER 35 17.415 1.062 1.556 248 H ARG 36 H ARG 36 16.408 -1.228 1.069 249 HA ARG 36 HA ARG 36 14.045 0.309 1.463 250 1HB ARG 36 1HB ARG 36 14.335 -1.806 -0.659 251 2HB ARG 36 2HB ARG 36 13.411 -0.329 -0.713 252 1HG ARG 36 1HG ARG 36 16.411 -0.414 -0.645 253 2HG ARG 36 2HG ARG 36 15.450 -0.300 -2.120 254 1HD ARG 36 1HD ARG 36 14.383 1.758 -1.090 255 2HD ARG 36 2HD ARG 36 15.656 1.689 0.127 256 HE ARG 36 HE ARG 36 16.755 1.626 -2.486 257 1HH1 ARG 36 1HH1 ARG 36 15.295 3.785 -0.165 258 2HH1 ARG 36 2HH1 ARG 36 16.105 5.189 -0.774 259 1HH2 ARG 36 1HH2 ARG 36 17.822 3.473 -3.289 260 2HH2 ARG 36 2HH2 ARG 36 17.538 5.013 -2.548 261 H GLY 37 H GLY 37 14.029 -3.187 0.509 262 1HA GLY 37 1HA GLY 37 12.750 -3.844 2.988 263 2HA GLY 37 2HA GLY 37 13.062 -4.924 1.644 264 H LYS 38 H LYS 38 10.728 -4.421 3.431 265 HA LYS 38 HA LYS 38 8.766 -5.281 1.870 266 1HB LYS 38 1HB LYS 38 7.676 -3.405 3.768 267 2HB LYS 38 2HB LYS 38 7.449 -5.131 3.624 268 1HG LYS 38 1HG LYS 38 9.654 -5.427 4.760 269 2HG LYS 38 2HG LYS 38 9.666 -3.688 5.052 270 1HD LYS 38 1HD LYS 38 8.237 -3.871 6.760 271 2HD LYS 38 2HD LYS 38 7.160 -4.928 5.846 272 1HE LYS 38 1HE LYS 38 7.881 -6.698 6.976 273 2HE LYS 38 2HE LYS 38 9.546 -6.358 6.508 274 1HZ LYS 38 1HZ LYS 38 9.360 -4.600 8.401 275 2HZ LYS 38 2HZ LYS 38 8.113 -5.600 8.954 276 3HZ LYS 38 3HZ LYS 38 9.675 -6.220 8.773 277 H VAL 39 H VAL 39 8.227 -4.601 -0.028 278 HA VAL 39 HA VAL 39 8.093 -1.877 -0.822 279 HB VAL 39 HB VAL 39 6.506 -4.059 -2.132 280 1HG1 VAL 39 1HG1 VAL 39 6.350 -1.694 -2.901 281 2HG1 VAL 39 2HG1 VAL 39 8.050 -1.799 -3.362 282 3HG1 VAL 39 3HG1 VAL 39 6.859 -2.847 -4.135 283 1HG2 VAL 39 1HG2 VAL 39 9.390 -4.002 -1.787 284 2HG2 VAL 39 2HG2 VAL 39 8.344 -5.300 -2.364 285 3HG2 VAL 39 3HG2 VAL 39 8.902 -4.056 -3.482 286 H VAL 40 H VAL 40 6.368 -0.500 -0.784 287 HA VAL 40 HA VAL 40 4.042 -1.414 0.739 288 HB VAL 40 HB VAL 40 4.796 1.436 0.109 289 1HG1 VAL 40 1HG1 VAL 40 2.628 0.129 1.575 290 2HG1 VAL 40 2HG1 VAL 40 3.437 1.415 2.472 291 3HG1 VAL 40 3HG1 VAL 40 2.722 1.754 0.894 292 1HG2 VAL 40 1HG2 VAL 40 5.965 -0.439 1.997 293 2HG2 VAL 40 2HG2 VAL 40 6.519 1.157 1.498 294 3HG2 VAL 40 3HG2 VAL 40 5.327 1.004 2.785 295 H GLU 41 H GLU 41 2.215 -1.797 -0.230 296 HA GLU 41 HA GLU 41 1.648 -0.525 -2.825 297 1HB GLU 41 1HB GLU 41 1.920 -3.191 -2.422 298 2HB GLU 41 2HB GLU 41 0.200 -3.004 -2.111 299 1HG GLU 41 1HG GLU 41 -0.092 -3.176 -4.299 300 2HG GLU 41 2HG GLU 41 0.598 -1.558 -4.426 301 H LEU 42 H LEU 42 -0.477 0.188 -3.189 302 HA LEU 42 HA LEU 42 -2.336 0.142 -0.939 303 1HB LEU 42 1HB LEU 42 -0.701 2.379 -1.641 304 2HB LEU 42 2HB LEU 42 -2.371 2.781 -1.985 305 HG LEU 42 HG LEU 42 -2.994 2.313 0.310 306 1HD1 LEU 42 1HD1 LEU 42 -0.189 1.324 0.465 307 2HD1 LEU 42 2HD1 LEU 42 -0.959 1.989 1.906 308 3HD1 LEU 42 3HD1 LEU 42 -1.672 0.600 1.085 309 1HD2 LEU 42 1HD2 LEU 42 -2.059 4.550 -0.375 310 2HD2 LEU 42 2HD2 LEU 42 -1.969 4.180 1.347 311 3HD2 LEU 42 3HD2 LEU 42 -0.530 4.036 0.339 312 H GLY 43 H GLY 43 -4.473 0.279 -1.516 313 1HA GLY 43 1HA GLY 43 -5.157 -0.369 -4.186 314 2HA GLY 43 2HA GLY 43 -5.480 1.330 -3.896 315 H CYS 44 H CYS 44 -7.678 0.708 -4.382 316 HA CYS 44 HA CYS 44 -9.097 -0.045 -1.940 317 1HB CYS 44 1HB CYS 44 -9.546 2.002 -3.634 318 2HB CYS 44 2HB CYS 44 -10.591 0.790 -4.367 319 H ALA 45 H ALA 45 -10.291 -1.888 -1.762 320 HA ALA 45 HA ALA 45 -10.753 -3.486 -4.180 321 1HB ALA 45 1HB ALA 45 -8.955 -4.703 -3.525 322 2HB ALA 45 2HB ALA 45 -9.119 -4.243 -1.831 323 3HB ALA 45 3HB ALA 45 -10.172 -5.482 -2.514 324 H ALA 46 H ALA 46 -12.440 -5.041 -4.002 325 HA ALA 46 HA ALA 46 -14.550 -4.185 -2.215 326 1HB ALA 46 1HB ALA 46 -16.023 -5.320 -3.594 327 2HB ALA 46 2HB ALA 46 -14.756 -4.832 -4.720 328 3HB ALA 46 3HB ALA 46 -14.804 -6.486 -4.110 329 H THR 47 H THR 47 -12.346 -6.861 -2.578 330 HA THR 47 HA THR 47 -13.446 -8.054 -0.124 331 HB THR 47 HB THR 47 -12.276 -10.177 -1.387 332 HG1 THR 47 HG1 THR 47 -12.707 -10.109 -3.503 333 1HG2 THR 47 1HG2 THR 47 -15.050 -9.261 -1.056 334 2HG2 THR 47 2HG2 THR 47 -14.779 -10.505 -2.277 335 3HG2 THR 47 3HG2 THR 47 -14.290 -10.788 -0.606 336 H CYS 48 H CYS 48 -11.604 -9.916 0.454 337 HA CYS 48 HA CYS 48 -9.040 -8.482 0.521 338 1HB CYS 48 1HB CYS 48 -10.117 -8.224 2.677 339 2HB CYS 48 2HB CYS 48 -10.352 -9.959 2.778 340 HA PRO 49 HA PRO 49 -8.340 -12.797 -0.972 341 1HB PRO 49 1HB PRO 49 -7.063 -12.211 -3.250 342 2HB PRO 49 2HB PRO 49 -8.826 -12.155 -3.137 343 1HG PRO 49 1HG PRO 49 -6.849 -9.915 -3.068 344 2HG PRO 49 2HG PRO 49 -8.424 -9.994 -3.876 345 1HD PRO 49 1HD PRO 49 -7.967 -8.764 -1.448 346 2HD PRO 49 2HD PRO 49 -9.546 -9.360 -1.991 347 H SER 50 H SER 50 -6.288 -13.908 -1.438 348 HA SER 50 HA SER 50 -3.781 -12.633 -1.098 349 1HB SER 50 1HB SER 50 -3.537 -14.182 1.158 350 2HB SER 50 2HB SER 50 -3.808 -12.440 1.154 351 HG SER 50 HG SER 50 -5.361 -13.392 2.442 352 H LYS 51 H LYS 51 -2.030 -14.060 -1.392 353 HA LYS 51 HA LYS 51 -2.308 -16.873 -1.414 354 1HB LYS 51 1HB LYS 51 -1.767 -16.692 -4.098 355 2HB LYS 51 2HB LYS 51 -3.306 -17.154 -3.393 356 1HG LYS 51 1HG LYS 51 -4.275 -15.139 -3.827 357 2HG LYS 51 2HG LYS 51 -2.742 -14.268 -3.791 358 1HD LYS 51 1HD LYS 51 -3.609 -14.360 -6.062 359 2HD LYS 51 2HD LYS 51 -2.120 -15.299 -5.934 360 1HE LYS 51 1HE LYS 51 -3.421 -16.775 -7.099 361 2HE LYS 51 2HE LYS 51 -3.800 -17.267 -5.449 362 1HZ LYS 51 1HZ LYS 51 -5.445 -15.247 -6.836 363 2HZ LYS 51 2HZ LYS 51 -5.717 -16.899 -7.083 364 3HZ LYS 51 3HZ LYS 51 -5.861 -16.241 -5.532 365 H LYS 52 H LYS 52 -0.464 -15.249 -0.249 366 HA LYS 52 HA LYS 52 1.978 -16.229 -1.434 367 1HB LYS 52 1HB LYS 52 1.357 -13.288 -1.292 368 2HB LYS 52 2HB LYS 52 3.012 -13.882 -1.294 369 1HG LYS 52 1HG LYS 52 0.956 -14.309 -3.450 370 2HG LYS 52 2HG LYS 52 2.359 -13.240 -3.523 371 1HD LYS 52 1HD LYS 52 3.799 -15.270 -3.180 372 2HD LYS 52 2HD LYS 52 2.346 -16.251 -3.382 373 1HE LYS 52 1HE LYS 52 2.381 -14.449 -5.537 374 2HE LYS 52 2HE LYS 52 4.030 -15.054 -5.378 375 1HZ LYS 52 1HZ LYS 52 2.687 -17.319 -5.147 376 2HZ LYS 52 2HZ LYS 52 1.597 -16.469 -6.121 377 3HZ LYS 52 3HZ LYS 52 3.190 -16.705 -6.641 378 HA PRO 53 HA PRO 53 2.226 -16.651 3.085 379 1HB PRO 53 1HB PRO 53 4.798 -17.895 2.257 380 2HB PRO 53 2HB PRO 53 3.552 -18.506 3.351 381 1HG PRO 53 1HG PRO 53 3.812 -19.506 0.898 382 2HG PRO 53 2HG PRO 53 2.209 -19.257 1.615 383 1HD PRO 53 1HD PRO 53 3.639 -17.635 -0.449 384 2HD PRO 53 2HD PRO 53 1.913 -18.034 -0.323 385 H TYR 54 H TYR 54 4.523 -15.260 0.853 386 HA TYR 54 HA TYR 54 5.977 -13.979 3.045 387 1HB TYR 54 1HB TYR 54 6.976 -13.212 0.484 388 2HB TYR 54 2HB TYR 54 7.782 -14.113 1.754 389 HD1 TYR 54 HD1 TYR 54 6.308 -14.270 -1.516 390 HD2 TYR 54 HD2 TYR 54 7.480 -16.627 1.827 391 HE1 TYR 54 HE1 TYR 54 6.296 -16.278 -2.935 392 HE2 TYR 54 HE2 TYR 54 7.472 -18.641 0.417 393 HH TYR 54 HH TYR 54 7.744 -18.823 -2.535 394 H GLU 55 H GLU 55 4.089 -13.199 0.174 395 HA GLU 55 HA GLU 55 4.165 -10.360 0.850 396 1HB GLU 55 1HB GLU 55 3.033 -11.856 -1.517 397 2HB GLU 55 2HB GLU 55 2.845 -10.123 -1.289 398 1HG GLU 55 1HG GLU 55 4.809 -9.766 -2.226 399 2HG GLU 55 2HG GLU 55 5.595 -10.759 -1.000 400 H GLU 56 H GLU 56 2.772 -9.739 2.368 401 HA GLU 56 HA GLU 56 0.058 -10.881 2.320 402 1HB GLU 56 1HB GLU 56 1.915 -10.224 4.530 403 2HB GLU 56 2HB GLU 56 0.226 -9.823 4.797 404 1HG GLU 56 1HG GLU 56 0.683 -12.507 3.719 405 2HG GLU 56 2HG GLU 56 1.358 -12.228 5.324 406 H VAL 57 H VAL 57 -1.684 -9.466 2.924 407 HA VAL 57 HA VAL 57 -1.134 -6.603 2.604 408 HB VAL 57 HB VAL 57 -3.564 -7.735 1.361 409 1HG1 VAL 57 1HG1 VAL 57 -2.938 -5.234 1.753 410 2HG1 VAL 57 2HG1 VAL 57 -1.985 -5.464 0.289 411 3HG1 VAL 57 3HG1 VAL 57 -3.725 -5.739 0.259 412 1HG2 VAL 57 1HG2 VAL 57 -0.809 -7.982 0.308 413 2HG2 VAL 57 2HG2 VAL 57 -2.202 -9.041 0.088 414 3HG2 VAL 57 3HG2 VAL 57 -2.086 -7.538 -0.826 415 H THR 58 H THR 58 -2.548 -5.222 3.665 416 HA THR 58 HA THR 58 -4.274 -6.543 5.634 417 HB THR 58 HB THR 58 -4.193 -4.146 6.644 418 HG1 THR 58 HG1 THR 58 -2.815 -2.833 5.785 419 1HG2 THR 58 1HG2 THR 58 -1.866 -6.037 6.742 420 2HG2 THR 58 2HG2 THR 58 -2.029 -4.629 7.792 421 3HG2 THR 58 3HG2 THR 58 -3.221 -5.927 7.865 422 H CYS 59 H CYS 59 -6.297 -6.622 4.995 423 HA CYS 59 HA CYS 59 -7.417 -4.365 3.498 424 1HB CYS 59 1HB CYS 59 -9.081 -6.738 3.501 425 2HB CYS 59 2HB CYS 59 -8.429 -5.829 2.151 426 H CYS 60 H CYS 60 -8.731 -3.071 4.627 427 HA CYS 60 HA CYS 60 -10.379 -4.283 6.738 428 1HB CYS 60 1HB CYS 60 -9.530 -2.975 8.341 429 2HB CYS 60 2HB CYS 60 -8.259 -2.557 7.211 430 H SER 61 H SER 61 -12.044 -2.461 7.481 431 HA SER 61 HA SER 61 -13.244 -1.383 5.014 432 1HB SER 61 1HB SER 61 -15.400 -2.038 5.714 433 2HB SER 61 2HB SER 61 -14.377 -3.426 6.085 434 HG SER 61 HG SER 61 -15.731 -1.725 7.775 435 H THR 62 H THR 62 -11.659 0.353 6.147 436 HA THR 62 HA THR 62 -13.493 2.246 7.415 437 HB THR 62 HB THR 62 -10.680 2.028 8.441 438 HG1 THR 62 HG1 THR 62 -12.923 0.613 9.442 439 1HG2 THR 62 1HG2 THR 62 -13.201 3.301 9.358 440 2HG2 THR 62 2HG2 THR 62 -12.037 2.745 10.561 441 3HG2 THR 62 3HG2 THR 62 -11.553 3.928 9.346 442 H ASP 63 H ASP 63 -12.798 4.483 7.206 443 HA ASP 63 HA ASP 63 -11.643 4.993 4.653 444 1HB ASP 63 1HB ASP 63 -13.375 6.385 6.062 445 2HB ASP 63 2HB ASP 63 -11.928 7.157 6.694 446 H LYS 64 H LYS 64 -9.733 6.060 4.156 447 HA LYS 64 HA LYS 64 -7.415 6.052 4.269 448 1HB LYS 64 1HB LYS 64 -8.122 7.700 6.705 449 2HB LYS 64 2HB LYS 64 -6.622 7.794 5.795 450 1HG LYS 64 1HG LYS 64 -7.535 9.038 4.154 451 2HG LYS 64 2HG LYS 64 -9.090 8.210 4.244 452 1HD LYS 64 1HD LYS 64 -9.934 9.700 5.703 453 2HD LYS 64 2HD LYS 64 -8.426 9.807 6.613 454 1HE LYS 64 1HE LYS 64 -7.494 11.276 4.897 455 2HE LYS 64 2HE LYS 64 -8.993 11.160 3.976 456 1HZ LYS 64 1HZ LYS 64 -9.210 12.037 6.748 457 2HZ LYS 64 2HZ LYS 64 -8.509 13.126 5.660 458 3HZ LYS 64 3HZ LYS 64 -10.072 12.542 5.383 459 H CYS 65 H CYS 65 -8.408 3.712 5.445 460 HA CYS 65 HA CYS 65 -7.008 3.341 7.956 461 1HB CYS 65 1HB CYS 65 -8.566 1.799 8.376 462 2HB CYS 65 2HB CYS 65 -9.354 2.341 6.909 463 H ASN 66 H ASN 66 -6.209 2.989 4.694 464 HA ASN 66 HA ASN 66 -4.180 0.979 5.353 465 1HB ASN 66 1HB ASN 66 -4.246 0.300 3.048 466 2HB ASN 66 2HB ASN 66 -5.869 0.251 3.711 467 2HD2 ASN 66 2HD2 ASN 66 -4.301 0.897 1.043 468 1HD2 ASN 66 1HD2 ASN 66 -5.259 2.170 0.376 469 HA PRO 67 HA PRO 67 -2.010 4.880 3.902 470 1HB PRO 67 1HB PRO 67 -1.248 6.028 6.174 471 2HB PRO 67 2HB PRO 67 -2.904 6.222 5.582 472 1HG PRO 67 1HG PRO 67 -1.858 4.414 7.724 473 2HG PRO 67 2HG PRO 67 -3.346 5.377 7.700 474 1HD PRO 67 1HD PRO 67 -3.194 2.672 7.105 475 2HD PRO 67 2HD PRO 67 -4.502 3.756 6.601 476 H HIS 68 H HIS 68 0.278 5.383 4.055 477 HA HIS 68 HA HIS 68 1.947 3.145 4.129 478 1HB HIS 68 1HB HIS 68 2.278 5.592 3.145 479 2HB HIS 68 2HB HIS 68 3.105 5.845 4.675 480 HD1 HIS 68 HD1 HIS 68 5.462 5.046 4.826 481 HD2 HIS 68 HD2 HIS 68 3.482 3.487 1.529 482 HE1 HIS 68 HE1 HIS 68 7.222 3.844 3.495 483 HE2 HIS 68 HE2 HIS 68 6.026 3.050 1.426 484 HA PRO 69 HA PRO 69 2.693 2.598 8.467 485 1HB PRO 69 1HB PRO 69 5.039 1.240 8.371 486 2HB PRO 69 2HB PRO 69 3.488 0.508 7.941 487 1HG PRO 69 1HG PRO 69 5.616 1.626 6.156 488 2HG PRO 69 2HG PRO 69 4.675 0.133 5.977 489 1HD PRO 69 1HD PRO 69 4.088 2.400 4.619 490 2HD PRO 69 2HD PRO 69 2.844 1.241 5.124 491 H LYS 70 H LYS 70 4.569 4.591 6.493 492 HA LYS 70 HA LYS 70 6.155 5.508 8.799 493 1HB LYS 70 1HB LYS 70 6.890 4.971 6.028 494 2HB LYS 70 2HB LYS 70 7.372 6.578 6.552 495 1HG LYS 70 1HG LYS 70 9.138 4.921 6.892 496 2HG LYS 70 2HG LYS 70 8.602 5.638 8.412 497 1HD LYS 70 1HD LYS 70 7.976 3.655 9.220 498 2HD LYS 70 2HD LYS 70 7.069 3.271 7.756 499 1HE LYS 70 1HE LYS 70 9.077 2.482 6.671 500 2HE LYS 70 2HE LYS 70 10.057 2.983 8.048 501 1HZ LYS 70 1HZ LYS 70 8.766 1.382 9.409 502 2HZ LYS 70 2HZ LYS 70 8.020 0.826 7.995 503 3HZ LYS 70 3HZ LYS 70 9.690 0.650 8.196 504 H GLN 71 H GLN 71 3.401 6.294 7.890 505 HA GLN 71 HA GLN 71 3.893 9.172 7.923 506 1HB GLN 71 1HB GLN 71 2.363 9.644 6.134 507 2HB GLN 71 2HB GLN 71 3.561 8.501 5.545 508 1HG GLN 71 1HG GLN 71 1.819 7.356 4.768 509 2HG GLN 71 2HG GLN 71 1.590 6.842 6.438 510 2HE2 GLN 71 2HE2 GLN 71 0.103 8.162 3.816 511 1HE2 GLN 71 1HE2 GLN 71 -1.239 8.919 4.597 512 H ARG 72 H ARG 72 2.724 10.088 9.469 513 HA ARG 72 HA ARG 72 0.728 8.611 10.884 514 1HB ARG 72 1HB ARG 72 1.917 11.346 11.123 515 2HB ARG 72 2HB ARG 72 0.438 10.975 11.997 516 1HG ARG 72 1HG ARG 72 3.019 9.442 12.232 517 2HG ARG 72 2HG ARG 72 2.450 10.668 13.366 518 1HD ARG 72 1HD ARG 72 1.109 8.044 12.722 519 2HD ARG 72 2HD ARG 72 1.948 8.458 14.216 520 HE ARG 72 HE ARG 72 -0.102 10.322 13.787 521 1HH1 ARG 72 1HH1 ARG 72 0.310 6.948 14.574 522 2HH1 ARG 72 2HH1 ARG 72 -1.175 6.844 15.457 523 1HH2 ARG 72 1HH2 ARG 72 -2.057 10.187 14.949 524 2HH2 ARG 72 2HH2 ARG 72 -2.519 8.682 15.670 525 HA PRO 73 HA PRO 73 -2.517 10.000 8.069 526 1HB PRO 73 1HB PRO 73 -4.478 8.440 9.090 527 2HB PRO 73 2HB PRO 73 -3.232 7.813 8.004 528 1HG PRO 73 1HG PRO 73 -3.395 7.656 10.990 529 2HG PRO 73 2HG PRO 73 -2.941 6.397 9.827 530 1HD PRO 73 1HD PRO 73 -1.111 7.813 11.238 531 2HD PRO 73 2HD PRO 73 -0.795 7.201 9.602 532 H GLY 74 H GLY 74 -4.049 11.563 8.244 533 1HA GLY 74 1HA GLY 74 -4.867 13.466 9.352 534 2HA GLY 74 2HA GLY 74 -4.447 12.725 10.889 535 H1 TRP 75 H1 TRP 75 3.561 -0.171 -10.949 536 H2 TRP 75 H2 TRP 75 3.541 1.484 -11.394 537 H3 TRP 75 H3 TRP 75 4.637 0.405 -12.156 538 HA TRP 75 HA TRP 75 5.878 0.135 -10.233 539 1HB TRP 75 1HB TRP 75 6.628 2.431 -9.872 540 2HB TRP 75 2HB TRP 75 6.254 2.174 -11.573 541 HD1 TRP 75 HD1 TRP 75 4.894 3.974 -8.458 542 HE1 TRP 75 HE1 TRP 75 3.296 5.838 -9.235 543 HE3 TRP 75 HE3 TRP 75 4.769 2.904 -13.455 544 HZ2 TRP 75 HZ2 TRP 75 2.133 6.732 -11.647 545 HZ3 TRP 75 HZ3 TRP 75 3.388 4.311 -14.929 546 HH2 TRP 75 HH2 TRP 75 2.099 6.185 -14.042 547 H ARG 76 H ARG 76 6.314 1.064 -7.974 548 HA ARG 76 HA ARG 76 3.913 1.707 -6.467 549 1HB ARG 76 1HB ARG 76 3.962 -0.148 -5.004 550 2HB ARG 76 2HB ARG 76 4.051 -0.818 -6.625 551 1HG ARG 76 1HG ARG 76 6.306 -0.505 -4.661 552 2HG ARG 76 2HG ARG 76 5.562 -2.005 -5.215 553 1HD ARG 76 1HD ARG 76 6.303 -1.342 -7.546 554 2HD ARG 76 2HD ARG 76 7.282 -0.096 -6.774 555 HE ARG 76 HE ARG 76 8.135 -2.214 -5.465 556 1HH1 ARG 76 1HH1 ARG 76 7.515 -1.863 -8.885 557 2HH1 ARG 76 2HH1 ARG 76 8.703 -3.036 -9.344 558 1HH2 ARG 76 1HH2 ARG 76 9.697 -3.750 -6.072 559 2HH2 ARG 76 2HH2 ARG 76 9.940 -4.106 -7.750 560 H TYR 77 H TYR 77 4.913 1.270 -3.913 561 HA TYR 77 HA TYR 77 7.318 2.985 -3.912 562 1HB TYR 77 1HB TYR 77 5.140 3.068 -1.826 563 2HB TYR 77 2HB TYR 77 6.489 4.176 -2.009 564 HD1 TYR 77 HD1 TYR 77 5.879 6.261 -2.730 565 HD2 TYR 77 HD2 TYR 77 3.743 2.907 -4.236 566 HE1 TYR 77 HE1 TYR 77 4.490 7.764 -4.091 567 HE2 TYR 77 HE2 TYR 77 2.357 4.401 -5.604 568 HH TYR 77 HH TYR 77 1.628 6.815 -5.524 569 H TYR 78 H TYR 78 8.705 2.738 -2.047 570 HA TYR 78 HA TYR 78 8.654 0.009 -1.006 571 1HB TYR 78 1HB TYR 78 10.858 2.072 -1.150 572 2HB TYR 78 2HB TYR 78 11.025 0.535 -0.327 573 HD1 TYR 78 HD1 TYR 78 8.962 -0.088 -3.060 574 HD2 TYR 78 HD2 TYR 78 13.031 0.722 -2.116 575 HE1 TYR 78 HE1 TYR 78 9.662 -1.164 -5.155 576 HE2 TYR 78 HE2 TYR 78 13.738 -0.357 -4.205 577 HH TYR 78 HH TYR 78 12.139 -2.383 -5.864 578 H GLU 79 H GLU 79 9.566 -0.156 1.317 579 HA GLU 79 HA GLU 79 7.807 1.370 2.990 580 1HB GLU 79 1HB GLU 79 9.398 -1.032 3.234 581 2HB GLU 79 2HB GLU 79 9.629 0.000 4.638 582 1HG GLU 79 1HG GLU 79 6.964 0.118 4.449 583 2HG GLU 79 2HG GLU 79 7.237 -1.471 3.739 584 H SER 80 H SER 80 11.322 1.177 2.594 585 HA SER 80 HA SER 80 12.206 2.804 4.594 586 1HB SER 80 1HB SER 80 14.172 3.187 3.291 587 2HB SER 80 2HB SER 80 13.598 1.571 2.891 588 HG SER 80 HG SER 80 13.640 3.887 1.343 589 H SER 81 H SER 81 10.502 3.762 1.709 590 HA SER 81 HA SER 81 10.402 6.493 2.731 591 1HB SER 81 1HB SER 81 11.939 5.736 0.484 592 2HB SER 81 2HB SER 81 10.577 6.692 -0.085 593 HG SER 81 HG SER 81 12.727 7.671 0.840 594 H LEU 82 H LEU 82 8.988 7.725 0.799 595 HA LEU 82 HA LEU 82 6.590 6.071 0.414 596 1HB LEU 82 1HB LEU 82 6.864 8.743 1.703 597 2HB LEU 82 2HB LEU 82 5.392 8.365 0.827 598 HG LEU 82 HG LEU 82 5.593 6.160 2.360 599 1HD1 LEU 82 1HD1 LEU 82 6.848 8.392 3.935 600 2HD1 LEU 82 2HD1 LEU 82 6.157 6.938 4.656 601 3HD1 LEU 82 3HD1 LEU 82 7.538 6.811 3.566 602 1HD2 LEU 82 1HD2 LEU 82 4.281 8.799 2.882 603 2HD2 LEU 82 2HD2 LEU 82 3.566 7.299 2.289 604 3HD2 LEU 82 3HD2 LEU 82 4.067 7.432 3.976 605 H GLU 83 H GLU 83 8.896 7.236 -1.267 606 HA GLU 83 HA GLU 83 7.463 8.914 -3.151 607 1HB GLU 83 1HB GLU 83 10.284 8.140 -2.696 608 2HB GLU 83 2HB GLU 83 9.829 8.443 -4.367 609 1HG GLU 83 1HG GLU 83 8.744 10.603 -3.220 610 2HG GLU 83 2HG GLU 83 10.069 10.307 -2.095 611 HA PRO 84 HA PRO 84 6.454 5.735 -6.035 612 1HB PRO 84 1HB PRO 84 6.821 6.919 -8.433 613 2HB PRO 84 2HB PRO 84 5.533 7.417 -7.329 614 1HG PRO 84 1HG PRO 84 8.194 8.683 -7.834 615 2HG PRO 84 2HG PRO 84 6.613 9.451 -7.600 616 1HD PRO 84 1HD PRO 84 8.514 9.244 -5.637 617 2HD PRO 84 2HD PRO 84 6.778 9.357 -5.317 618 H TYR 85 H TYR 85 7.440 3.974 -6.752 619 HA TYR 85 HA TYR 85 10.248 4.209 -7.596 620 1HB TYR 85 1HB TYR 85 8.821 2.237 -5.864 621 2HB TYR 85 2HB TYR 85 10.238 1.719 -6.765 622 HD1 TYR 85 HD1 TYR 85 9.399 4.894 -4.940 623 HD2 TYR 85 HD2 TYR 85 12.051 1.573 -5.306 624 HE1 TYR 85 HE1 TYR 85 10.841 5.849 -3.197 625 HE2 TYR 85 HE2 TYR 85 13.492 2.528 -3.562 626 HH TYR 85 HH TYR 85 12.916 4.314 -1.471 627 HA PRO 86 HA PRO 86 8.136 2.540 -11.308 628 1HB PRO 86 1HB PRO 86 10.283 3.882 -12.755 629 2HB PRO 86 2HB PRO 86 8.542 4.152 -12.848 630 1HG PRO 86 1HG PRO 86 10.247 5.955 -11.761 631 2HG PRO 86 2HG PRO 86 8.571 5.766 -11.215 632 1HD PRO 86 1HD PRO 86 11.096 4.718 -9.986 633 2HD PRO 86 2HD PRO 86 9.677 5.445 -9.199 634 H ASP 87 H ASP 87 8.588 0.454 -11.619 635 HA ASP 87 HA ASP 87 10.890 -0.438 -12.928 636 1HB ASP 87 1HB ASP 87 11.953 -1.767 -11.120 637 2HB ASP 87 2HB ASP 87 12.072 -0.031 -10.848 No H/Q in entry = 637 Start of MODEL 8 1 H1 ILE 1 H1 ILE 1 -16.503 4.327 -0.220 2 H2 ILE 1 H2 ILE 1 -17.433 3.989 1.179 3 H3 ILE 1 H3 ILE 1 -17.276 5.605 0.625 4 HA ILE 1 HA ILE 1 -15.835 5.550 2.343 5 HB ILE 1 HB ILE 1 -15.994 3.167 2.776 6 1HG1 ILE 1 1HG1 ILE 1 -13.144 4.115 2.551 7 2HG1 ILE 1 2HG1 ILE 1 -14.237 4.464 3.884 8 1HG2 ILE 1 1HG2 ILE 1 -14.574 2.985 0.217 9 2HG2 ILE 1 2HG2 ILE 1 -14.033 1.868 1.469 10 3HG2 ILE 1 3HG2 ILE 1 -15.721 1.871 0.960 11 1HD1 ILE 1 1HD1 ILE 1 -13.892 1.616 3.294 12 2HD1 ILE 1 2HD1 ILE 1 -12.440 2.447 3.851 13 3HD1 ILE 1 3HD1 ILE 1 -13.902 2.469 4.838 14 H VAL 2 H VAL 2 -13.616 6.101 2.418 15 HA VAL 2 HA VAL 2 -12.483 6.491 -0.260 16 HB VAL 2 HB VAL 2 -12.052 8.156 2.226 17 1HG1 VAL 2 1HG1 VAL 2 -10.900 8.397 -0.547 18 2HG1 VAL 2 2HG1 VAL 2 -10.877 9.704 0.636 19 3HG1 VAL 2 3HG1 VAL 2 -10.028 8.195 0.972 20 1HG2 VAL 2 1HG2 VAL 2 -13.770 8.457 -0.192 21 2HG2 VAL 2 2HG2 VAL 2 -14.137 8.799 1.500 22 3HG2 VAL 2 3HG2 VAL 2 -13.107 9.897 0.580 23 H CYS 3 H CYS 3 -10.724 5.359 -0.708 24 HA CYS 3 HA CYS 3 -9.016 4.468 1.526 25 1HB CYS 3 1HB CYS 3 -9.439 3.066 -1.124 26 2HB CYS 3 2HB CYS 3 -8.479 2.474 0.225 27 H HIS 4 H HIS 4 -6.754 4.060 0.930 28 HA HIS 4 HA HIS 4 -5.749 6.281 -0.651 29 1HB HIS 4 1HB HIS 4 -4.225 4.275 1.017 30 2HB HIS 4 2HB HIS 4 -3.597 5.781 0.357 31 HD1 HIS 4 HD1 HIS 4 -5.276 7.928 1.232 32 HD2 HIS 4 HD2 HIS 4 -4.811 4.576 3.633 33 HE1 HIS 4 HE1 HIS 4 -5.907 8.661 3.547 34 HE2 HIS 4 HE2 HIS 4 -5.406 6.673 5.008 35 H THR 5 H THR 5 -4.453 6.098 -2.444 36 HA THR 5 HA THR 5 -4.067 3.387 -3.513 37 HB THR 5 HB THR 5 -5.936 5.031 -4.533 38 HG1 THR 5 HG1 THR 5 -4.270 3.178 -5.854 39 1HG2 THR 5 1HG2 THR 5 -4.343 6.757 -5.220 40 2HG2 THR 5 2HG2 THR 5 -3.500 5.567 -6.215 41 3HG2 THR 5 3HG2 THR 5 -5.163 6.022 -6.598 42 H THR 6 H THR 6 -2.345 3.126 -4.948 43 HA THR 6 HA THR 6 -0.306 5.248 -4.833 44 HB THR 6 HB THR 6 1.284 3.169 -5.024 45 HG1 THR 6 HG1 THR 6 0.051 1.442 -5.008 46 1HG2 THR 6 1HG2 THR 6 -0.015 4.204 -2.545 47 2HG2 THR 6 2HG2 THR 6 1.185 2.914 -2.470 48 3HG2 THR 6 3HG2 THR 6 1.617 4.482 -3.150 49 H ALA 7 H ALA 7 -2.315 3.566 -6.846 50 HA ALA 7 HA ALA 7 -0.798 2.739 -9.004 51 1HB ALA 7 1HB ALA 7 -3.155 2.288 -8.899 52 2HB ALA 7 2HB ALA 7 -2.817 3.192 -10.375 53 3HB ALA 7 3HB ALA 7 -3.532 4.009 -8.985 54 H THR 8 H THR 8 -1.567 5.959 -7.958 55 HA THR 8 HA THR 8 -0.726 7.208 -10.433 56 HB THR 8 HB THR 8 -1.648 9.113 -9.608 57 HG1 THR 8 HG1 THR 8 -0.997 8.699 -6.916 58 1HG2 THR 8 1HG2 THR 8 -3.160 7.107 -8.772 59 2HG2 THR 8 2HG2 THR 8 -2.715 7.769 -7.197 60 3HG2 THR 8 3HG2 THR 8 -3.527 8.789 -8.387 61 H SER 9 H SER 9 0.877 9.253 -9.861 62 HA SER 9 HA SER 9 3.384 8.001 -9.305 63 1HB SER 9 1HB SER 9 3.864 9.759 -10.676 64 2HB SER 9 2HB SER 9 2.472 10.691 -10.130 65 HG SER 9 HG SER 9 4.829 11.303 -9.558 66 HA PRO 10 HA PRO 10 3.142 10.193 -5.095 67 1HB PRO 10 1HB PRO 10 1.420 12.159 -4.610 68 2HB PRO 10 2HB PRO 10 2.843 12.472 -5.615 69 1HG PRO 10 1HG PRO 10 0.011 11.961 -6.450 70 2HG PRO 10 2HG PRO 10 1.158 13.165 -7.067 71 1HD PRO 10 1HD PRO 10 0.641 10.730 -8.271 72 2HD PRO 10 2HD PRO 10 2.125 11.676 -8.495 73 H ILE 11 H ILE 11 1.301 10.494 -3.180 74 HA ILE 11 HA ILE 11 -0.444 8.189 -3.591 75 HB ILE 11 HB ILE 11 -0.184 9.753 -1.037 76 1HG1 ILE 11 1HG1 ILE 11 1.472 7.433 -2.031 77 2HG1 ILE 11 2HG1 ILE 11 2.051 9.044 -1.624 78 1HG2 ILE 11 1HG2 ILE 11 -1.108 6.960 -1.670 79 2HG2 ILE 11 2HG2 ILE 11 -0.899 7.600 -0.040 80 3HG2 ILE 11 3HG2 ILE 11 -2.099 8.311 -1.119 81 1HD1 ILE 11 1HD1 ILE 11 1.437 8.641 0.722 82 2HD1 ILE 11 2HD1 ILE 11 0.944 7.004 0.287 83 3HD1 ILE 11 3HD1 ILE 11 2.630 7.491 0.120 84 H SER 12 H SER 12 -2.625 8.209 -3.215 85 HA SER 12 HA SER 12 -4.036 10.688 -2.783 86 1HB SER 12 1HB SER 12 -5.356 9.959 -5.052 87 2HB SER 12 2HB SER 12 -4.117 11.209 -4.981 88 HG SER 12 HG SER 12 -4.074 8.937 -6.343 89 H ALA 13 H ALA 13 -6.201 10.402 -2.252 90 HA ALA 13 HA ALA 13 -7.166 7.632 -2.138 91 1HB ALA 13 1HB ALA 13 -6.311 9.151 0.088 92 2HB ALA 13 2HB ALA 13 -8.066 9.013 0.189 93 3HB ALA 13 3HB ALA 13 -7.072 7.560 0.079 94 H VAL 14 H VAL 14 -9.300 7.369 -2.570 95 HA VAL 14 HA VAL 14 -11.080 9.673 -2.502 96 HB VAL 14 HB VAL 14 -9.922 9.435 -4.824 97 1HG1 VAL 14 1HG1 VAL 14 -10.426 6.993 -4.983 98 2HG1 VAL 14 2HG1 VAL 14 -12.129 7.418 -5.157 99 3HG1 VAL 14 3HG1 VAL 14 -10.959 7.940 -6.373 100 1HG2 VAL 14 1HG2 VAL 14 -12.232 10.585 -3.960 101 2HG2 VAL 14 2HG2 VAL 14 -11.543 10.785 -5.571 102 3HG2 VAL 14 3HG2 VAL 14 -12.799 9.578 -5.292 103 H THR 15 H THR 15 -13.285 8.915 -3.487 104 HA THR 15 HA THR 15 -14.153 6.709 -1.873 105 HB THR 15 HB THR 15 -16.112 7.768 -3.752 106 HG1 THR 15 HG1 THR 15 -14.682 9.566 -2.099 107 1HG2 THR 15 1HG2 THR 15 -16.407 6.622 -1.438 108 2HG2 THR 15 2HG2 THR 15 -16.168 8.255 -0.818 109 3HG2 THR 15 3HG2 THR 15 -17.494 7.920 -1.932 110 H CYS 16 H CYS 16 -13.655 4.728 -2.625 111 HA CYS 16 HA CYS 16 -13.346 4.033 -5.326 112 1HB CYS 16 1HB CYS 16 -14.234 1.934 -3.396 113 2HB CYS 16 2HB CYS 16 -12.987 1.867 -4.630 114 HA PRO 17 HA PRO 17 -17.551 3.884 -6.727 115 1HB PRO 17 1HB PRO 17 -17.191 2.124 -8.799 116 2HB PRO 17 2HB PRO 17 -16.822 3.847 -8.891 117 1HG PRO 17 1HG PRO 17 -14.986 1.537 -8.414 118 2HG PRO 17 2HG PRO 17 -14.735 2.983 -9.410 119 1HD PRO 17 1HD PRO 17 -13.637 2.733 -6.967 120 2HD PRO 17 2HD PRO 17 -14.199 4.300 -7.582 121 HA PRO 18 HA PRO 18 -19.821 0.370 -5.311 122 1HB PRO 18 1HB PRO 18 -20.280 -0.490 -8.139 123 2HB PRO 18 2HB PRO 18 -21.438 -0.325 -6.813 124 1HG PRO 18 1HG PRO 18 -21.295 1.524 -8.721 125 2HG PRO 18 2HG PRO 18 -21.558 1.982 -7.028 126 1HD PRO 18 1HD PRO 18 -19.112 2.233 -8.700 127 2HD PRO 18 2HD PRO 18 -19.680 3.257 -7.368 128 H GLY 19 H GLY 19 -17.401 -0.132 -7.779 129 1HA GLY 19 1HA GLY 19 -15.837 -1.776 -8.078 130 2HA GLY 19 2HA GLY 19 -17.147 -2.898 -7.748 131 H GLU 20 H GLU 20 -15.355 -0.542 -5.718 132 HA GLU 20 HA GLU 20 -14.783 -2.787 -3.884 133 1HB GLU 20 1HB GLU 20 -13.062 -0.344 -4.053 134 2HB GLU 20 2HB GLU 20 -12.659 -1.938 -3.436 135 1HG GLU 20 1HG GLU 20 -11.652 -2.305 -5.375 136 2HG GLU 20 2HG GLU 20 -13.262 -2.403 -6.088 137 H ASN 21 H ASN 21 -15.115 -2.529 -1.781 138 HA ASN 21 HA ASN 21 -16.263 0.018 -0.875 139 1HB ASN 21 1HB ASN 21 -17.330 -2.617 -0.785 140 2HB ASN 21 2HB ASN 21 -17.082 -2.044 0.853 141 2HD2 ASN 21 2HD2 ASN 21 -19.524 -2.452 0.451 142 1HD2 ASN 21 1HD2 ASN 21 -20.421 -1.032 0.075 143 H LEU 22 H LEU 22 -13.838 -2.336 -0.446 144 HA LEU 22 HA LEU 22 -13.142 -1.260 2.194 145 1HB LEU 22 1HB LEU 22 -12.298 -3.839 0.881 146 2HB LEU 22 2HB LEU 22 -11.851 -3.313 2.483 147 HG LEU 22 HG LEU 22 -14.745 -3.602 1.827 148 1HD1 LEU 22 1HD1 LEU 22 -13.409 -5.660 1.076 149 2HD1 LEU 22 2HD1 LEU 22 -13.139 -5.937 2.797 150 3HD1 LEU 22 3HD1 LEU 22 -14.782 -5.906 2.156 151 1HD2 LEU 22 1HD2 LEU 22 -13.070 -3.950 4.307 152 2HD2 LEU 22 2HD2 LEU 22 -14.204 -2.646 3.955 153 3HD2 LEU 22 3HD2 LEU 22 -14.799 -4.284 4.220 154 H CYS 23 H CYS 23 -10.591 -1.718 2.484 155 HA CYS 23 HA CYS 23 -9.219 -0.537 0.158 156 1HB CYS 23 1HB CYS 23 -8.366 0.090 2.966 157 2HB CYS 23 2HB CYS 23 -8.064 0.996 1.491 158 H TYR 24 H TYR 24 -6.777 -0.877 0.290 159 HA TYR 24 HA TYR 24 -5.989 -3.167 1.883 160 1HB TYR 24 1HB TYR 24 -5.460 -4.640 0.146 161 2HB TYR 24 2HB TYR 24 -7.043 -4.012 -0.284 162 HD1 TYR 24 HD1 TYR 24 -3.400 -3.328 -0.956 163 HD2 TYR 24 HD2 TYR 24 -7.396 -3.270 -2.435 164 HE1 TYR 24 HE1 TYR 24 -2.566 -2.685 -3.170 165 HE2 TYR 24 HE2 TYR 24 -6.565 -2.620 -4.655 166 HH TYR 24 HH TYR 24 -4.218 -2.957 -5.914 167 H ARG 25 H ARG 25 -3.786 -3.592 1.949 168 HA ARG 25 HA ARG 25 -1.966 -1.664 0.723 169 1HB ARG 25 1HB ARG 25 -2.575 -0.827 3.009 170 2HB ARG 25 2HB ARG 25 -1.919 -2.314 3.678 171 1HG ARG 25 1HG ARG 25 0.274 -1.728 2.655 172 2HG ARG 25 2HG ARG 25 -0.419 -0.174 2.190 173 1HD ARG 25 1HD ARG 25 0.924 -0.240 4.347 174 2HD ARG 25 2HD ARG 25 -0.670 0.507 4.422 175 HE ARG 25 HE ARG 25 0.158 -1.994 5.655 176 1HH1 ARG 25 1HH1 ARG 25 -2.474 0.154 4.838 177 2HH1 ARG 25 2HH1 ARG 25 -3.546 -0.512 6.023 178 1HH2 ARG 25 1HH2 ARG 25 -1.256 -2.867 7.210 179 2HH2 ARG 25 2HH2 ARG 25 -2.857 -2.224 7.367 180 H LYS 26 H LYS 26 -0.628 -2.943 -0.393 181 HA LYS 26 HA LYS 26 -0.077 -5.647 0.537 182 1HB LYS 26 1HB LYS 26 -0.640 -5.072 -1.851 183 2HB LYS 26 2HB LYS 26 0.934 -4.313 -1.967 184 1HG LYS 26 1HG LYS 26 2.057 -6.317 -1.890 185 2HG LYS 26 2HG LYS 26 0.738 -7.142 -1.054 186 1HD LYS 26 1HD LYS 26 -0.417 -6.376 -3.433 187 2HD LYS 26 2HD LYS 26 1.225 -6.805 -3.912 188 1HE LYS 26 1HE LYS 26 0.875 -8.943 -2.565 189 2HE LYS 26 2HE LYS 26 -0.835 -8.514 -2.547 190 1HZ LYS 26 1HZ LYS 26 0.566 -8.540 -5.120 191 2HZ LYS 26 2HZ LYS 26 0.159 -10.024 -4.419 192 3HZ LYS 26 3HZ LYS 26 -1.051 -8.896 -4.770 193 H MET 27 H MET 27 1.992 -6.490 0.921 194 HA MET 27 HA MET 27 4.236 -4.656 0.996 195 1HB MET 27 1HB MET 27 3.060 -5.913 3.455 196 2HB MET 27 2HB MET 27 4.713 -5.331 3.396 197 1HG MET 27 1HG MET 27 3.854 -3.412 4.133 198 2HG MET 27 2HG MET 27 3.353 -3.175 2.460 199 1HE MET 27 1HE MET 27 2.335 -4.401 6.000 200 2HE MET 27 2HE MET 27 0.625 -4.789 5.812 201 3HE MET 27 3HE MET 27 1.849 -5.802 5.047 202 H TRP 28 H TRP 28 6.194 -5.585 0.780 203 HA TRP 28 HA TRP 28 6.813 -8.257 1.499 204 1HB TRP 28 1HB TRP 28 7.062 -9.309 -0.699 205 2HB TRP 28 2HB TRP 28 5.404 -8.851 -0.411 206 HD1 TRP 28 HD1 TRP 28 8.242 -6.770 -1.914 207 HE1 TRP 28 HE1 TRP 28 7.487 -5.878 -4.202 208 HE3 TRP 28 HE3 TRP 28 3.696 -9.026 -2.144 209 HZ2 TRP 28 HZ2 TRP 28 5.243 -6.115 -5.887 210 HZ3 TRP 28 HZ3 TRP 28 2.297 -8.657 -4.135 211 HH2 TRP 28 HH2 TRP 28 3.054 -7.232 -5.967 212 H CYS 29 H CYS 29 9.064 -8.397 1.719 213 HA CYS 29 HA CYS 29 10.501 -6.070 1.265 214 1HB CYS 29 1HB CYS 29 11.588 -8.820 1.752 215 2HB CYS 29 2HB CYS 29 12.570 -7.394 1.644 216 H ASP 30 H ASP 30 10.877 -5.218 -0.635 217 HA ASP 30 HA ASP 30 11.377 -6.793 -2.986 218 1HB ASP 30 1HB ASP 30 12.083 -4.548 -3.975 219 2HB ASP 30 2HB ASP 30 10.417 -4.636 -3.424 220 H ALA 31 H ALA 31 13.430 -7.125 -3.918 221 HA ALA 31 HA ALA 31 15.460 -7.982 -2.442 222 1HB ALA 31 1HB ALA 31 15.830 -8.393 -4.646 223 2HB ALA 31 2HB ALA 31 16.990 -7.087 -4.405 224 3HB ALA 31 3HB ALA 31 15.423 -6.749 -5.138 225 H PHE 32 H PHE 32 14.978 -6.215 -0.735 226 HA PHE 32 HA PHE 32 17.374 -4.860 -0.257 227 1HB PHE 32 1HB PHE 32 15.381 -3.416 -1.724 228 2HB PHE 32 2HB PHE 32 15.604 -2.693 -0.149 229 HD1 PHE 32 HD1 PHE 32 16.535 -2.269 -3.340 230 HD2 PHE 32 HD2 PHE 32 18.345 -2.844 0.467 231 HE1 PHE 32 HE1 PHE 32 18.576 -1.156 -4.147 232 HE2 PHE 32 HE2 PHE 32 20.389 -1.731 -0.331 233 HZ PHE 32 HZ PHE 32 20.506 -0.885 -2.642 234 H CYS 33 H CYS 33 15.133 -6.655 0.959 235 HA CYS 33 HA CYS 33 13.673 -5.554 2.933 236 1HB CYS 33 1HB CYS 33 14.133 -8.038 2.367 237 2HB CYS 33 2HB CYS 33 15.377 -7.922 3.605 238 H SER 34 H SER 34 17.144 -5.585 2.819 239 HA SER 34 HA SER 34 17.520 -4.845 5.571 240 1HB SER 34 1HB SER 34 19.445 -4.559 3.248 241 2HB SER 34 2HB SER 34 19.853 -4.518 4.963 242 HG SER 34 HG SER 34 19.823 -6.615 3.434 243 H SER 35 H SER 35 17.769 -3.134 2.445 244 HA SER 35 HA SER 35 17.709 -0.565 3.848 245 1HB SER 35 1HB SER 35 19.108 -1.424 1.601 246 2HB SER 35 2HB SER 35 17.830 -0.409 0.936 247 HG SER 35 HG SER 35 20.033 0.283 2.401 248 H ARG 36 H ARG 36 16.277 -1.422 0.692 249 HA ARG 36 HA ARG 36 13.962 0.153 1.221 250 1HB ARG 36 1HB ARG 36 14.035 -1.941 -0.929 251 2HB ARG 36 2HB ARG 36 13.229 -0.400 -0.926 252 1HG ARG 36 1HG ARG 36 16.197 -0.445 -0.842 253 2HG ARG 36 2HG ARG 36 15.365 -0.766 -2.363 254 1HD ARG 36 1HD ARG 36 14.360 1.349 -2.390 255 2HD ARG 36 2HD ARG 36 14.699 1.628 -0.683 256 HE ARG 36 HE ARG 36 16.788 2.377 -1.253 257 1HH1 ARG 36 1HH1 ARG 36 15.389 0.722 -3.989 258 2HH1 ARG 36 2HH1 ARG 36 16.642 1.208 -5.082 259 1HH2 ARG 36 1HH2 ARG 36 18.434 3.020 -2.689 260 2HH2 ARG 36 2HH2 ARG 36 18.371 2.511 -4.344 261 H GLY 37 H GLY 37 13.829 -3.331 0.232 262 1HA GLY 37 1HA GLY 37 12.626 -3.978 2.763 263 2HA GLY 37 2HA GLY 37 12.906 -5.066 1.418 264 H LYS 38 H LYS 38 10.622 -4.628 3.225 265 HA LYS 38 HA LYS 38 8.622 -5.442 1.701 266 1HB LYS 38 1HB LYS 38 7.569 -3.616 3.667 267 2HB LYS 38 2HB LYS 38 7.325 -5.332 3.478 268 1HG LYS 38 1HG LYS 38 9.941 -4.525 4.571 269 2HG LYS 38 2HG LYS 38 8.540 -4.208 5.586 270 1HD LYS 38 1HD LYS 38 8.838 -6.880 4.293 271 2HD LYS 38 2HD LYS 38 9.775 -6.502 5.740 272 1HE LYS 38 1HE LYS 38 7.995 -6.757 7.056 273 2HE LYS 38 2HE LYS 38 7.005 -5.719 6.031 274 1HZ LYS 38 1HZ LYS 38 6.785 -7.705 4.525 275 2HZ LYS 38 2HZ LYS 38 7.456 -8.634 5.769 276 3HZ LYS 38 3HZ LYS 38 5.992 -7.823 6.013 277 H VAL 39 H VAL 39 7.898 -4.730 -0.130 278 HA VAL 39 HA VAL 39 7.793 -2.004 -0.905 279 HB VAL 39 HB VAL 39 6.460 -4.479 -2.030 280 1HG1 VAL 39 1HG1 VAL 39 6.449 -1.678 -3.149 281 2HG1 VAL 39 2HG1 VAL 39 5.911 -3.121 -4.009 282 3HG1 VAL 39 3HG1 VAL 39 5.053 -2.586 -2.566 283 1HG2 VAL 39 1HG2 VAL 39 8.852 -2.858 -2.854 284 2HG2 VAL 39 2HG2 VAL 39 8.794 -4.557 -2.384 285 3HG2 VAL 39 3HG2 VAL 39 8.076 -4.038 -3.910 286 H VAL 40 H VAL 40 5.845 -0.778 -1.250 287 HA VAL 40 HA VAL 40 3.600 -1.610 0.454 288 HB VAL 40 HB VAL 40 4.516 1.248 0.188 289 1HG1 VAL 40 1HG1 VAL 40 2.352 -0.166 1.606 290 2HG1 VAL 40 2HG1 VAL 40 3.187 1.093 2.517 291 3HG1 VAL 40 3HG1 VAL 40 2.414 1.482 0.979 292 1HG2 VAL 40 1HG2 VAL 40 6.292 -0.028 1.260 293 2HG2 VAL 40 2HG2 VAL 40 5.486 1.020 2.427 294 3HG2 VAL 40 3HG2 VAL 40 5.132 -0.707 2.401 295 H GLU 41 H GLU 41 1.883 -1.906 -0.729 296 HA GLU 41 HA GLU 41 1.434 -0.214 -3.094 297 1HB GLU 41 1HB GLU 41 1.614 -2.869 -3.163 298 2HB GLU 41 2HB GLU 41 -0.077 -2.755 -2.695 299 1HG GLU 41 1HG GLU 41 -0.678 -2.302 -4.772 300 2HG GLU 41 2HG GLU 41 0.449 -0.948 -4.851 301 H LEU 42 H LEU 42 -0.816 0.376 -3.519 302 HA LEU 42 HA LEU 42 -2.575 0.327 -1.185 303 1HB LEU 42 1HB LEU 42 -1.028 2.572 -2.014 304 2HB LEU 42 2HB LEU 42 -2.713 2.933 -2.314 305 HG LEU 42 HG LEU 42 -3.269 2.614 -0.009 306 1HD1 LEU 42 1HD1 LEU 42 -0.496 1.511 0.167 307 2HD1 LEU 42 2HD1 LEU 42 -1.290 2.179 1.592 308 3HD1 LEU 42 3HD1 LEU 42 -2.011 0.814 0.739 309 1HD2 LEU 42 1HD2 LEU 42 -2.220 4.773 -0.753 310 2HD2 LEU 42 2HD2 LEU 42 -2.103 4.433 0.974 311 3HD2 LEU 42 3HD2 LEU 42 -0.704 4.184 -0.070 312 H GLY 43 H GLY 43 -4.732 0.325 -1.659 313 1HA GLY 43 1HA GLY 43 -5.503 -0.339 -4.315 314 2HA GLY 43 2HA GLY 43 -5.947 1.320 -3.953 315 H CYS 44 H CYS 44 -8.118 0.413 -4.386 316 HA CYS 44 HA CYS 44 -9.395 -0.236 -1.874 317 1HB CYS 44 1HB CYS 44 -10.641 0.077 -4.616 318 2HB CYS 44 2HB CYS 44 -11.487 0.065 -3.073 319 H ALA 45 H ALA 45 -11.178 -1.960 -1.944 320 HA ALA 45 HA ALA 45 -10.821 -4.163 -3.734 321 1HB ALA 45 1HB ALA 45 -8.886 -4.636 -2.433 322 2HB ALA 45 2HB ALA 45 -9.766 -4.398 -0.924 323 3HB ALA 45 3HB ALA 45 -10.133 -5.785 -1.950 324 H ALA 46 H ALA 46 -12.439 -5.724 -3.546 325 HA ALA 46 HA ALA 46 -14.781 -4.833 -2.083 326 1HB ALA 46 1HB ALA 46 -15.884 -6.747 -3.294 327 2HB ALA 46 2HB ALA 46 -15.194 -5.495 -4.326 328 3HB ALA 46 3HB ALA 46 -14.342 -7.023 -4.104 329 H THR 47 H THR 47 -12.462 -7.456 -2.054 330 HA THR 47 HA THR 47 -13.575 -8.362 0.509 331 HB THR 47 HB THR 47 -12.477 -10.645 -0.550 332 HG1 THR 47 HG1 THR 47 -12.397 -9.532 -2.606 333 1HG2 THR 47 1HG2 THR 47 -15.296 -9.672 -0.437 334 2HG2 THR 47 2HG2 THR 47 -14.903 -11.246 -1.129 335 3HG2 THR 47 3HG2 THR 47 -14.494 -10.894 0.550 336 H CYS 48 H CYS 48 -11.745 -10.228 1.222 337 HA CYS 48 HA CYS 48 -9.190 -8.774 1.153 338 1HB CYS 48 1HB CYS 48 -10.458 -8.682 3.341 339 2HB CYS 48 2HB CYS 48 -10.154 -10.405 3.468 340 HA PRO 49 HA PRO 49 -8.403 -13.064 -0.349 341 1HB PRO 49 1HB PRO 49 -7.046 -12.420 -2.573 342 2HB PRO 49 2HB PRO 49 -8.811 -12.423 -2.522 343 1HG PRO 49 1HG PRO 49 -6.912 -10.123 -2.372 344 2HG PRO 49 2HG PRO 49 -8.463 -10.242 -3.220 345 1HD PRO 49 1HD PRO 49 -8.109 -9.017 -0.776 346 2HD PRO 49 2HD PRO 49 -9.653 -9.667 -1.359 347 H SER 50 H SER 50 -6.382 -14.194 -0.640 348 HA SER 50 HA SER 50 -3.861 -12.946 -0.304 349 1HB SER 50 1HB SER 50 -4.013 -14.534 2.079 350 2HB SER 50 2HB SER 50 -3.639 -12.818 1.923 351 HG SER 50 HG SER 50 -5.823 -13.935 2.929 352 H LYS 51 H LYS 51 -2.147 -14.399 -0.578 353 HA LYS 51 HA LYS 51 -2.443 -17.203 -0.390 354 1HB LYS 51 1HB LYS 51 -3.531 -16.121 -2.706 355 2HB LYS 51 2HB LYS 51 -1.985 -16.792 -3.191 356 1HG LYS 51 1HG LYS 51 -2.973 -18.767 -3.324 357 2HG LYS 51 2HG LYS 51 -3.115 -18.739 -1.565 358 1HD LYS 51 1HD LYS 51 -5.240 -17.235 -2.200 359 2HD LYS 51 2HD LYS 51 -5.156 -18.239 -3.649 360 1HE LYS 51 1HE LYS 51 -5.126 -20.247 -2.192 361 2HE LYS 51 2HE LYS 51 -5.351 -19.194 -0.795 362 1HZ LYS 51 1HZ LYS 51 -7.366 -18.395 -2.318 363 2HZ LYS 51 2HZ LYS 51 -7.258 -20.001 -2.837 364 3HZ LYS 51 3HZ LYS 51 -7.504 -19.655 -1.199 365 H LYS 52 H LYS 52 -0.562 -15.402 0.540 366 HA LYS 52 HA LYS 52 1.838 -16.626 -0.403 367 1HB LYS 52 1HB LYS 52 1.122 -13.899 -1.302 368 2HB LYS 52 2HB LYS 52 2.769 -14.115 -0.728 369 1HG LYS 52 1HG LYS 52 1.421 -15.564 -2.993 370 2HG LYS 52 2HG LYS 52 2.743 -14.404 -3.094 371 1HD LYS 52 1HD LYS 52 2.832 -17.173 -1.899 372 2HD LYS 52 2HD LYS 52 3.641 -16.614 -3.362 373 1HE LYS 52 1HE LYS 52 4.182 -15.507 -0.612 374 2HE LYS 52 2HE LYS 52 5.120 -16.803 -1.352 375 1HZ LYS 52 1HZ LYS 52 5.691 -15.295 -3.161 376 2HZ LYS 52 2HZ LYS 52 4.807 -14.052 -2.429 377 3HZ LYS 52 3HZ LYS 52 6.188 -14.670 -1.670 378 HA PRO 53 HA PRO 53 2.436 -15.875 3.978 379 1HB PRO 53 1HB PRO 53 5.195 -16.758 3.341 380 2HB PRO 53 2HB PRO 53 4.064 -17.379 4.547 381 1HG PRO 53 1HG PRO 53 4.583 -18.751 2.318 382 2HG PRO 53 2HG PRO 53 2.952 -18.711 3.015 383 1HD PRO 53 1HD PRO 53 4.045 -17.231 0.657 384 2HD PRO 53 2HD PRO 53 2.447 -17.971 0.884 385 H TYR 54 H TYR 54 5.163 -15.091 1.803 386 HA TYR 54 HA TYR 54 5.978 -12.899 3.469 387 1HB TYR 54 1HB TYR 54 6.992 -13.474 0.731 388 2HB TYR 54 2HB TYR 54 7.823 -12.649 2.034 389 HD1 TYR 54 HD1 TYR 54 7.520 -14.412 4.297 390 HD2 TYR 54 HD2 TYR 54 8.184 -15.394 0.211 391 HE1 TYR 54 HE1 TYR 54 8.560 -16.532 4.982 392 HE2 TYR 54 HE2 TYR 54 9.225 -17.517 0.884 393 HH TYR 54 HH TYR 54 8.920 -19.061 3.214 394 H GLU 55 H GLU 55 4.015 -13.295 0.636 395 HA GLU 55 HA GLU 55 3.883 -10.365 0.345 396 1HB GLU 55 1HB GLU 55 3.274 -12.549 -1.653 397 2HB GLU 55 2HB GLU 55 2.944 -10.846 -1.929 398 1HG GLU 55 1HG GLU 55 5.268 -10.311 -1.855 399 2HG GLU 55 2HG GLU 55 5.679 -11.945 -1.336 400 H GLU 56 H GLU 56 2.310 -9.868 1.821 401 HA GLU 56 HA GLU 56 -0.355 -10.986 1.271 402 1HB GLU 56 1HB GLU 56 1.133 -10.817 3.803 403 2HB GLU 56 2HB GLU 56 -0.527 -10.250 3.889 404 1HG GLU 56 1HG GLU 56 -0.972 -12.525 2.605 405 2HG GLU 56 2HG GLU 56 0.529 -12.974 3.415 406 H VAL 57 H VAL 57 -2.138 -9.579 1.833 407 HA VAL 57 HA VAL 57 -1.409 -6.726 1.769 408 HB VAL 57 HB VAL 57 -3.878 -6.724 0.647 409 1HG1 VAL 57 1HG1 VAL 57 -1.203 -6.945 -0.710 410 2HG1 VAL 57 2HG1 VAL 57 -2.689 -6.474 -1.534 411 3HG1 VAL 57 3HG1 VAL 57 -2.050 -5.474 -0.230 412 1HG2 VAL 57 1HG2 VAL 57 -3.908 -9.206 0.594 413 2HG2 VAL 57 2HG2 VAL 57 -4.064 -8.464 -0.999 414 3HG2 VAL 57 3HG2 VAL 57 -2.523 -9.160 -0.498 415 H THR 58 H THR 58 -2.322 -5.469 3.292 416 HA THR 58 HA THR 58 -4.143 -6.730 5.177 417 HB THR 58 HB THR 58 -3.827 -4.387 6.303 418 HG1 THR 58 HG1 THR 58 -1.461 -4.490 4.762 419 1HG2 THR 58 1HG2 THR 58 -2.806 -6.663 6.962 420 2HG2 THR 58 2HG2 THR 58 -1.332 -6.018 6.241 421 3HG2 THR 58 3HG2 THR 58 -2.091 -5.179 7.593 422 H CYS 59 H CYS 59 -6.239 -6.594 4.850 423 HA CYS 59 HA CYS 59 -7.319 -4.290 3.398 424 1HB CYS 59 1HB CYS 59 -9.164 -6.510 3.835 425 2HB CYS 59 2HB CYS 59 -8.718 -5.690 2.350 426 H CYS 60 H CYS 60 -8.890 -3.019 4.281 427 HA CYS 60 HA CYS 60 -9.954 -3.756 6.914 428 1HB CYS 60 1HB CYS 60 -9.708 -1.151 7.353 429 2HB CYS 60 2HB CYS 60 -8.400 -2.273 7.706 430 H SER 61 H SER 61 -11.670 -1.918 7.532 431 HA SER 61 HA SER 61 -13.276 -1.359 5.128 432 1HB SER 61 1HB SER 61 -15.307 -1.999 6.347 433 2HB SER 61 2HB SER 61 -14.177 -3.350 6.261 434 HG SER 61 HG SER 61 -14.244 -3.388 8.348 435 H THR 62 H THR 62 -11.659 0.566 6.222 436 HA THR 62 HA THR 62 -13.650 2.462 7.190 437 HB THR 62 HB THR 62 -12.787 1.992 9.275 438 HG1 THR 62 HG1 THR 62 -11.843 3.813 9.817 439 1HG2 THR 62 1HG2 THR 62 -10.574 0.898 7.901 440 2HG2 THR 62 2HG2 THR 62 -9.967 2.064 9.076 441 3HG2 THR 62 3HG2 THR 62 -11.007 0.741 9.603 442 H ASP 63 H ASP 63 -13.112 4.673 6.807 443 HA ASP 63 HA ASP 63 -11.832 5.134 4.358 444 1HB ASP 63 1HB ASP 63 -12.298 7.255 6.393 445 2HB ASP 63 2HB ASP 63 -12.322 7.411 4.648 446 H LYS 64 H LYS 64 -9.850 5.899 3.779 447 HA LYS 64 HA LYS 64 -7.576 6.089 3.929 448 1HB LYS 64 1HB LYS 64 -8.258 7.682 6.407 449 2HB LYS 64 2HB LYS 64 -6.809 7.839 5.427 450 1HG LYS 64 1HG LYS 64 -7.983 8.825 3.651 451 2HG LYS 64 2HG LYS 64 -9.546 8.328 4.303 452 1HD LYS 64 1HD LYS 64 -9.443 9.920 6.038 453 2HD LYS 64 2HD LYS 64 -7.721 10.209 5.777 454 1HE LYS 64 1HE LYS 64 -9.239 12.015 4.929 455 2HE LYS 64 2HE LYS 64 -8.141 11.339 3.726 456 1HZ LYS 64 1HZ LYS 64 -10.927 10.389 4.039 457 2HZ LYS 64 2HZ LYS 64 -10.518 11.670 3.012 458 3HZ LYS 64 3HZ LYS 64 -9.876 10.129 2.739 459 H CYS 65 H CYS 65 -8.545 3.721 5.074 460 HA CYS 65 HA CYS 65 -7.152 3.326 7.580 461 1HB CYS 65 1HB CYS 65 -8.305 1.258 7.706 462 2HB CYS 65 2HB CYS 65 -9.452 2.445 7.111 463 H ASN 66 H ASN 66 -6.452 2.882 4.251 464 HA ASN 66 HA ASN 66 -4.384 0.921 4.923 465 1HB ASN 66 1HB ASN 66 -4.494 0.180 2.650 466 2HB ASN 66 2HB ASN 66 -6.118 0.202 3.312 467 2HD2 ASN 66 2HD2 ASN 66 -4.441 0.803 0.652 468 1HD2 ASN 66 1HD2 ASN 66 -5.395 2.054 -0.062 469 HA PRO 67 HA PRO 67 -2.134 4.730 3.378 470 1HB PRO 67 1HB PRO 67 -1.330 5.919 5.606 471 2HB PRO 67 2HB PRO 67 -2.997 6.118 5.049 472 1HG PRO 67 1HG PRO 67 -1.918 4.337 7.199 473 2HG PRO 67 2HG PRO 67 -3.393 5.320 7.197 474 1HD PRO 67 1HD PRO 67 -3.287 2.600 6.637 475 2HD PRO 67 2HD PRO 67 -4.599 3.693 6.163 476 H HIS 68 H HIS 68 0.200 5.202 3.585 477 HA HIS 68 HA HIS 68 1.773 2.889 3.687 478 1HB HIS 68 1HB HIS 68 2.356 5.024 2.498 479 2HB HIS 68 2HB HIS 68 2.765 5.715 4.058 480 HD1 HIS 68 HD1 HIS 68 4.972 4.989 5.141 481 HD2 HIS 68 HD2 HIS 68 4.188 3.132 1.508 482 HE1 HIS 68 HE1 HIS 68 7.124 3.866 4.483 483 HE2 HIS 68 HE2 HIS 68 6.592 2.657 2.337 484 HA PRO 69 HA PRO 69 2.223 2.107 8.023 485 1HB PRO 69 1HB PRO 69 4.936 1.153 7.271 486 2HB PRO 69 2HB PRO 69 3.654 0.324 8.160 487 1HG PRO 69 1HG PRO 69 4.182 -0.311 5.629 488 2HG PRO 69 2HG PRO 69 2.514 -0.265 6.229 489 1HD PRO 69 1HD PRO 69 3.974 1.710 4.528 490 2HD PRO 69 2HD PRO 69 2.278 1.190 4.454 491 H LYS 70 H LYS 70 5.102 3.469 6.401 492 HA LYS 70 HA LYS 70 5.841 4.786 8.903 493 1HB LYS 70 1HB LYS 70 7.280 3.924 6.485 494 2HB LYS 70 2HB LYS 70 7.813 5.461 7.152 495 1HG LYS 70 1HG LYS 70 7.525 3.020 8.866 496 2HG LYS 70 2HG LYS 70 8.993 3.346 7.943 497 1HD LYS 70 1HD LYS 70 7.785 5.340 9.847 498 2HD LYS 70 2HD LYS 70 8.979 4.143 10.349 499 1HE LYS 70 1HE LYS 70 9.375 6.194 8.172 500 2HE LYS 70 2HE LYS 70 9.989 6.329 9.819 501 1HZ LYS 70 1HZ LYS 70 10.816 3.862 8.849 502 2HZ LYS 70 2HZ LYS 70 11.124 4.981 7.618 503 3HZ LYS 70 3HZ LYS 70 11.773 5.221 9.162 504 H GLN 71 H GLN 71 3.605 5.672 7.008 505 HA GLN 71 HA GLN 71 4.594 8.253 6.130 506 1HB GLN 71 1HB GLN 71 3.124 7.555 4.537 507 2HB GLN 71 2HB GLN 71 2.174 6.610 5.672 508 1HG GLN 71 1HG GLN 71 0.726 8.262 6.025 509 2HG GLN 71 2HG GLN 71 1.977 9.501 6.050 510 2HE2 GLN 71 2HE2 GLN 71 0.184 7.387 3.850 511 1HE2 GLN 71 1HE2 GLN 71 0.176 8.487 2.517 512 H ARG 72 H ARG 72 4.332 10.114 7.188 513 HA ARG 72 HA ARG 72 3.677 10.226 9.881 514 1HB ARG 72 1HB ARG 72 5.023 11.930 8.775 515 2HB ARG 72 2HB ARG 72 3.632 12.443 7.829 516 1HG ARG 72 1HG ARG 72 2.883 12.557 10.551 517 2HG ARG 72 2HG ARG 72 4.469 13.318 10.403 518 1HD ARG 72 1HD ARG 72 3.456 14.567 8.401 519 2HD ARG 72 2HD ARG 72 1.897 14.045 9.038 520 HE ARG 72 HE ARG 72 2.080 15.660 10.631 521 1HH1 ARG 72 1HH1 ARG 72 5.277 14.957 9.422 522 2HH1 ARG 72 2HH1 ARG 72 6.037 16.210 10.343 523 1HH2 ARG 72 1HH2 ARG 72 3.078 17.308 11.845 524 2HH2 ARG 72 2HH2 ARG 72 4.789 17.544 11.721 525 HA PRO 73 HA PRO 73 -0.809 9.918 9.349 526 1HB PRO 73 1HB PRO 73 -1.372 9.618 11.985 527 2HB PRO 73 2HB PRO 73 -0.800 8.290 10.970 528 1HG PRO 73 1HG PRO 73 0.737 10.019 12.871 529 2HG PRO 73 2HG PRO 73 0.824 8.263 12.636 530 1HD PRO 73 1HD PRO 73 2.637 9.963 11.567 531 2HD PRO 73 2HD PRO 73 2.157 8.454 10.763 532 H GLY 74 H GLY 74 -2.574 11.269 9.827 533 1HA GLY 74 1HA GLY 74 -3.147 13.593 9.752 534 2HA GLY 74 2HA GLY 74 -1.782 13.927 10.808 535 H1 TRP 75 H1 TRP 75 5.350 0.596 -10.504 536 H2 TRP 75 H2 TRP 75 4.346 1.860 -11.086 537 H3 TRP 75 H3 TRP 75 5.933 1.673 -11.706 538 HA TRP 75 HA TRP 75 6.875 2.219 -9.624 539 1HB TRP 75 1HB TRP 75 6.104 4.577 -9.536 540 2HB TRP 75 2HB TRP 75 6.385 4.022 -11.183 541 HD1 TRP 75 HD1 TRP 75 3.463 4.746 -8.767 542 HE1 TRP 75 HE1 TRP 75 1.388 5.315 -10.178 543 HE3 TRP 75 HE3 TRP 75 5.366 3.828 -13.422 544 HZ2 TRP 75 HZ2 TRP 75 0.651 5.366 -12.903 545 HZ3 TRP 75 HZ3 TRP 75 3.910 4.160 -15.379 546 HH2 TRP 75 HH2 TRP 75 1.601 4.913 -15.123 547 H ARG 76 H ARG 76 6.743 2.122 -7.467 548 HA ARG 76 HA ARG 76 4.207 2.557 -6.116 549 1HB ARG 76 1HB ARG 76 5.057 0.267 -4.825 550 2HB ARG 76 2HB ARG 76 3.717 0.374 -5.956 551 1HG ARG 76 1HG ARG 76 4.898 -0.593 -7.663 552 2HG ARG 76 2HG ARG 76 6.458 -0.068 -7.027 553 1HD ARG 76 1HD ARG 76 5.076 -1.856 -5.209 554 2HD ARG 76 2HD ARG 76 5.335 -2.591 -6.788 555 HE ARG 76 HE ARG 76 7.380 -1.766 -4.882 556 1HH1 ARG 76 1HH1 ARG 76 6.629 -2.974 -8.074 557 2HH1 ARG 76 2HH1 ARG 76 8.215 -3.614 -8.338 558 1HH2 ARG 76 1HH2 ARG 76 9.464 -2.613 -5.233 559 2HH2 ARG 76 2HH2 ARG 76 9.823 -3.408 -6.729 560 H TYR 77 H TYR 77 4.821 1.782 -3.575 561 HA TYR 77 HA TYR 77 7.287 3.321 -3.039 562 1HB TYR 77 1HB TYR 77 4.845 3.099 -1.273 563 2HB TYR 77 2HB TYR 77 6.281 4.056 -0.944 564 HD1 TYR 77 HD1 TYR 77 3.802 3.673 -3.730 565 HD2 TYR 77 HD2 TYR 77 6.084 6.309 -1.294 566 HE1 TYR 77 HE1 TYR 77 2.790 5.599 -4.875 567 HE2 TYR 77 HE2 TYR 77 5.078 8.242 -2.431 568 HH TYR 77 HH TYR 77 3.026 8.762 -3.706 569 H TYR 78 H TYR 78 8.391 2.761 -1.025 570 HA TYR 78 HA TYR 78 8.158 -0.096 -0.411 571 1HB TYR 78 1HB TYR 78 10.604 1.672 -0.224 572 2HB TYR 78 2HB TYR 78 10.545 -0.048 0.095 573 HD1 TYR 78 HD1 TYR 78 12.467 1.141 -1.808 574 HD2 TYR 78 HD2 TYR 78 8.508 -0.287 -2.428 575 HE1 TYR 78 HE1 TYR 78 13.010 0.672 -4.158 576 HE2 TYR 78 HE2 TYR 78 9.040 -0.753 -4.782 577 HH TYR 78 HH TYR 78 11.619 -1.251 -6.022 578 H GLU 79 H GLU 79 8.816 -0.652 1.837 579 HA GLU 79 HA GLU 79 7.344 0.866 3.689 580 1HB GLU 79 1HB GLU 79 8.885 -1.589 3.710 581 2HB GLU 79 2HB GLU 79 9.126 -0.677 5.193 582 1HG GLU 79 1HG GLU 79 6.505 -0.489 5.107 583 2HG GLU 79 2HG GLU 79 6.665 -1.940 4.121 584 H SER 80 H SER 80 10.798 0.688 3.016 585 HA SER 80 HA SER 80 11.393 2.644 5.076 586 1HB SER 80 1HB SER 80 12.836 0.583 3.789 587 2HB SER 80 2HB SER 80 13.669 2.103 3.491 588 HG SER 80 HG SER 80 13.593 2.463 5.771 589 H SER 81 H SER 81 9.822 3.325 2.589 590 HA SER 81 HA SER 81 11.244 5.769 2.009 591 1HB SER 81 1HB SER 81 11.439 3.573 0.244 592 2HB SER 81 2HB SER 81 10.452 4.806 -0.530 593 HG SER 81 HG SER 81 12.118 6.279 -0.235 594 H LEU 82 H LEU 82 9.836 7.385 1.979 595 HA LEU 82 HA LEU 82 6.997 6.805 1.784 596 1HB LEU 82 1HB LEU 82 8.672 8.944 2.881 597 2HB LEU 82 2HB LEU 82 7.229 9.530 2.081 598 HG LEU 82 HG LEU 82 7.265 8.956 4.662 599 1HD1 LEU 82 1HD1 LEU 82 5.338 9.490 2.803 600 2HD1 LEU 82 2HD1 LEU 82 4.784 7.961 3.486 601 3HD1 LEU 82 3HD1 LEU 82 5.070 9.346 4.540 602 1HD2 LEU 82 1HD2 LEU 82 7.918 6.544 4.053 603 2HD2 LEU 82 2HD2 LEU 82 6.648 6.789 5.250 604 3HD2 LEU 82 3HD2 LEU 82 6.225 6.356 3.595 605 H GLU 83 H GLU 83 9.531 8.136 -0.156 606 HA GLU 83 HA GLU 83 7.889 9.625 -1.942 607 1HB GLU 83 1HB GLU 83 10.599 8.475 -2.574 608 2HB GLU 83 2HB GLU 83 9.853 9.917 -3.237 609 1HG GLU 83 1HG GLU 83 10.917 9.535 -0.456 610 2HG GLU 83 2HG GLU 83 11.561 10.582 -1.719 611 HA PRO 84 HA PRO 84 6.756 6.378 -4.744 612 1HB PRO 84 1HB PRO 84 6.778 7.850 -7.117 613 2HB PRO 84 2HB PRO 84 5.467 7.819 -5.938 614 1HG PRO 84 1HG PRO 84 7.147 10.014 -6.590 615 2HG PRO 84 2HG PRO 84 5.924 9.938 -5.313 616 1HD PRO 84 1HD PRO 84 8.867 9.626 -5.133 617 2HD PRO 84 2HD PRO 84 7.712 10.181 -3.906 618 H TYR 85 H TYR 85 7.809 4.725 -5.640 619 HA TYR 85 HA TYR 85 10.404 5.261 -6.908 620 1HB TYR 85 1HB TYR 85 9.344 2.995 -5.277 621 2HB TYR 85 2HB TYR 85 10.642 2.693 -6.426 622 HD1 TYR 85 HD1 TYR 85 12.582 2.391 -5.167 623 HD2 TYR 85 HD2 TYR 85 9.987 5.628 -4.200 624 HE1 TYR 85 HE1 TYR 85 14.216 3.204 -3.522 625 HE2 TYR 85 HE2 TYR 85 11.618 6.445 -2.553 626 HH TYR 85 HH TYR 85 14.066 6.272 -2.139 627 HA PRO 86 HA PRO 86 8.189 3.803 -10.568 628 1HB PRO 86 1HB PRO 86 9.728 5.005 -12.388 629 2HB PRO 86 2HB PRO 86 8.594 5.933 -11.397 630 1HG PRO 86 1HG PRO 86 11.553 5.614 -11.097 631 2HG PRO 86 2HG PRO 86 10.558 7.069 -10.905 632 1HD PRO 86 1HD PRO 86 11.459 5.493 -8.821 633 2HD PRO 86 2HD PRO 86 10.052 6.571 -8.736 634 H ASP 87 H ASP 87 9.314 1.737 -9.564 635 HA ASP 87 HA ASP 87 10.405 -0.207 -10.001 636 1HB ASP 87 1HB ASP 87 9.759 0.876 -12.527 637 2HB ASP 87 2HB ASP 87 11.366 0.175 -12.638 No H/Q in entry = 637 Start of MODEL 9 1 H1 ILE 1 H1 ILE 1 -16.356 2.841 -0.437 2 H2 ILE 1 H2 ILE 1 -17.693 3.077 0.608 3 H3 ILE 1 H3 ILE 1 -17.262 4.296 -0.521 4 HA ILE 1 HA ILE 1 -16.557 4.956 1.589 5 HB ILE 1 HB ILE 1 -16.283 2.288 2.107 6 1HG1 ILE 1 1HG1 ILE 1 -15.123 4.590 3.677 7 2HG1 ILE 1 2HG1 ILE 1 -16.796 4.045 3.724 8 1HG2 ILE 1 1HG2 ILE 1 -14.008 2.453 0.939 9 2HG2 ILE 1 2HG2 ILE 1 -13.486 3.305 2.393 10 3HG2 ILE 1 3HG2 ILE 1 -14.087 1.652 2.507 11 1HD1 ILE 1 1HD1 ILE 1 -15.480 1.759 4.343 12 2HD1 ILE 1 2HD1 ILE 1 -14.426 2.977 5.062 13 3HD1 ILE 1 3HD1 ILE 1 -16.127 2.902 5.520 14 H VAL 2 H VAL 2 -14.005 5.230 2.224 15 HA VAL 2 HA VAL 2 -12.667 5.775 -0.337 16 HB VAL 2 HB VAL 2 -12.270 7.329 2.221 17 1HG1 VAL 2 1HG1 VAL 2 -10.657 7.169 0.028 18 2HG1 VAL 2 2HG1 VAL 2 -11.662 8.564 -0.365 19 3HG1 VAL 2 3HG1 VAL 2 -10.729 8.542 1.131 20 1HG2 VAL 2 1HG2 VAL 2 -14.595 7.503 1.266 21 2HG2 VAL 2 2HG2 VAL 2 -13.710 9.024 1.387 22 3HG2 VAL 2 3HG2 VAL 2 -13.866 8.216 -0.173 23 H CYS 3 H CYS 3 -10.518 5.269 -0.540 24 HA CYS 3 HA CYS 3 -9.131 4.155 1.779 25 1HB CYS 3 1HB CYS 3 -9.393 2.691 -0.852 26 2HB CYS 3 2HB CYS 3 -8.451 2.155 0.532 27 H HIS 4 H HIS 4 -6.825 3.776 1.343 28 HA HIS 4 HA HIS 4 -5.759 5.978 -0.234 29 1HB HIS 4 1HB HIS 4 -4.283 4.083 1.598 30 2HB HIS 4 2HB HIS 4 -3.694 5.616 0.966 31 HD1 HIS 4 HD1 HIS 4 -5.536 7.680 1.699 32 HD2 HIS 4 HD2 HIS 4 -5.072 4.367 4.161 33 HE1 HIS 4 HE1 HIS 4 -6.359 8.401 3.961 34 HE2 HIS 4 HE2 HIS 4 -5.911 6.431 5.465 35 H THR 5 H THR 5 -4.539 5.755 -2.035 36 HA THR 5 HA THR 5 -3.858 3.019 -2.869 37 HB THR 5 HB THR 5 -5.844 4.371 -4.054 38 HG1 THR 5 HG1 THR 5 -3.983 2.820 -5.511 39 1HG2 THR 5 1HG2 THR 5 -3.409 5.111 -5.660 40 2HG2 THR 5 2HG2 THR 5 -5.084 5.263 -6.197 41 3HG2 THR 5 3HG2 THR 5 -4.504 6.228 -4.838 42 H THR 6 H THR 6 -2.078 2.806 -4.248 43 HA THR 6 HA THR 6 -0.223 5.097 -4.200 44 HB THR 6 HB THR 6 1.518 3.127 -4.276 45 HG1 THR 6 HG1 THR 6 0.221 1.379 -4.275 46 1HG2 THR 6 1HG2 THR 6 0.097 4.074 -1.815 47 2HG2 THR 6 2HG2 THR 6 1.520 3.034 -1.764 48 3HG2 THR 6 3HG2 THR 6 1.627 4.642 -2.479 49 H ALA 7 H ALA 7 -1.938 2.959 -6.159 50 HA ALA 7 HA ALA 7 -0.318 2.252 -8.241 51 1HB ALA 7 1HB ALA 7 -2.564 1.542 -8.293 52 2HB ALA 7 2HB ALA 7 -2.364 2.585 -9.701 53 3HB ALA 7 3HB ALA 7 -3.171 3.197 -8.258 54 H THR 8 H THR 8 -1.457 5.439 -7.430 55 HA THR 8 HA THR 8 -0.631 6.626 -9.932 56 HB THR 8 HB THR 8 -1.747 8.477 -9.239 57 HG1 THR 8 HG1 THR 8 -1.008 8.207 -6.535 58 1HG2 THR 8 1HG2 THR 8 -3.074 6.379 -8.273 59 2HG2 THR 8 2HG2 THR 8 -2.750 7.229 -6.759 60 3HG2 THR 8 3HG2 THR 8 -3.621 8.042 -8.062 61 H SER 9 H SER 9 0.754 8.872 -9.354 62 HA SER 9 HA SER 9 3.348 7.854 -8.757 63 1HB SER 9 1HB SER 9 2.349 10.164 -9.990 64 2HB SER 9 2HB SER 9 3.250 10.734 -8.588 65 HG SER 9 HG SER 9 5.067 9.791 -9.362 66 HA PRO 10 HA PRO 10 2.844 9.930 -4.553 67 1HB PRO 10 1HB PRO 10 0.949 11.910 -4.273 68 2HB PRO 10 2HB PRO 10 2.609 12.190 -4.791 69 1HG PRO 10 1HG PRO 10 0.220 12.524 -6.324 70 2HG PRO 10 2HG PRO 10 1.891 12.748 -6.861 71 1HD PRO 10 1HD PRO 10 0.088 10.423 -7.212 72 2HD PRO 10 2HD PRO 10 1.442 10.961 -8.218 73 H ILE 11 H ILE 11 1.494 9.637 -2.594 74 HA ILE 11 HA ILE 11 -0.603 7.729 -3.090 75 HB ILE 11 HB ILE 11 -0.819 7.746 -0.570 76 1HG1 ILE 11 1HG1 ILE 11 0.460 10.098 -0.662 77 2HG1 ILE 11 2HG1 ILE 11 0.467 9.059 0.756 78 1HG2 ILE 11 1HG2 ILE 11 1.535 6.871 -2.131 79 2HG2 ILE 11 2HG2 ILE 11 1.620 6.731 -0.375 80 3HG2 ILE 11 3HG2 ILE 11 0.331 5.922 -1.263 81 1HD1 ILE 11 1HD1 ILE 11 2.604 8.672 -1.267 82 2HD1 ILE 11 2HD1 ILE 11 2.682 10.091 -0.220 83 3HD1 ILE 11 3HD1 ILE 11 2.651 8.474 0.485 84 H SER 12 H SER 12 -2.719 7.972 -2.883 85 HA SER 12 HA SER 12 -3.898 10.297 -1.640 86 1HB SER 12 1HB SER 12 -5.265 10.421 -3.999 87 2HB SER 12 2HB SER 12 -3.927 11.483 -3.568 88 HG SER 12 HG SER 12 -4.000 9.330 -5.335 89 H ALA 13 H ALA 13 -6.125 10.056 -1.228 90 HA ALA 13 HA ALA 13 -7.141 7.331 -1.702 91 1HB ALA 13 1HB ALA 13 -6.910 8.895 0.743 92 2HB ALA 13 2HB ALA 13 -8.533 8.253 0.487 93 3HB ALA 13 3HB ALA 13 -7.149 7.161 0.526 94 H VAL 14 H VAL 14 -9.321 7.064 -2.205 95 HA VAL 14 HA VAL 14 -10.981 9.443 -2.513 96 HB VAL 14 HB VAL 14 -9.593 8.842 -4.683 97 1HG1 VAL 14 1HG1 VAL 14 -10.655 6.466 -4.523 98 2HG1 VAL 14 2HG1 VAL 14 -12.041 7.245 -5.286 99 3HG1 VAL 14 3HG1 VAL 14 -10.472 7.243 -6.098 100 1HG2 VAL 14 1HG2 VAL 14 -11.791 10.364 -4.136 101 2HG2 VAL 14 2HG2 VAL 14 -10.943 10.323 -5.683 102 3HG2 VAL 14 3HG2 VAL 14 -12.373 9.320 -5.433 103 H THR 15 H THR 15 -13.091 8.630 -3.743 104 HA THR 15 HA THR 15 -14.172 6.505 -2.076 105 HB THR 15 HB THR 15 -16.055 7.709 -3.914 106 HG1 THR 15 HG1 THR 15 -14.703 9.514 -2.202 107 1HG2 THR 15 1HG2 THR 15 -16.612 6.644 -1.745 108 2HG2 THR 15 2HG2 THR 15 -15.863 8.020 -0.935 109 3HG2 THR 15 3HG2 THR 15 -17.284 8.262 -1.950 110 H CYS 16 H CYS 16 -13.755 4.541 -2.915 111 HA CYS 16 HA CYS 16 -13.239 3.777 -5.467 112 1HB CYS 16 1HB CYS 16 -14.903 2.091 -3.609 113 2HB CYS 16 2HB CYS 16 -13.793 1.553 -4.857 114 HA PRO 17 HA PRO 17 -16.839 4.363 -7.959 115 1HB PRO 17 1HB PRO 17 -16.112 1.848 -9.268 116 2HB PRO 17 2HB PRO 17 -16.292 3.452 -9.963 117 1HG PRO 17 1HG PRO 17 -13.881 2.290 -9.611 118 2HG PRO 17 2HG PRO 17 -14.126 4.041 -9.509 119 1HD PRO 17 1HD PRO 17 -13.685 2.063 -7.338 120 2HD PRO 17 2HD PRO 17 -13.240 3.777 -7.421 121 HA PRO 18 HA PRO 18 -20.020 1.614 -6.592 122 1HB PRO 18 1HB PRO 18 -21.378 0.806 -8.805 123 2HB PRO 18 2HB PRO 18 -21.495 2.440 -8.145 124 1HG PRO 18 1HG PRO 18 -19.872 1.437 -10.447 125 2HG PRO 18 2HG PRO 18 -20.805 2.938 -10.304 126 1HD PRO 18 1HD PRO 18 -18.115 2.846 -10.004 127 2HD PRO 18 2HD PRO 18 -19.135 4.011 -9.139 128 H GLY 19 H GLY 19 -17.863 0.193 -6.322 129 1HA GLY 19 1HA GLY 19 -17.220 -1.983 -7.812 130 2HA GLY 19 2HA GLY 19 -18.685 -2.489 -6.987 131 H GLU 20 H GLU 20 -15.990 -0.476 -5.792 132 HA GLU 20 HA GLU 20 -15.341 -2.625 -3.886 133 1HB GLU 20 1HB GLU 20 -13.685 -0.214 -4.534 134 2HB GLU 20 2HB GLU 20 -13.185 -1.645 -3.655 135 1HG GLU 20 1HG GLU 20 -13.489 -1.211 -6.563 136 2HG GLU 20 2HG GLU 20 -12.259 -2.094 -5.668 137 H ASN 21 H ASN 21 -15.197 -2.259 -1.745 138 HA ASN 21 HA ASN 21 -16.086 0.335 -0.718 139 1HB ASN 21 1HB ASN 21 -17.540 -2.108 -0.656 140 2HB ASN 21 2HB ASN 21 -17.138 -1.634 0.983 141 2HD2 ASN 21 2HD2 ASN 21 -19.635 -1.653 0.669 142 1HD2 ASN 21 1HD2 ASN 21 -20.314 -0.099 0.378 143 H LEU 22 H LEU 22 -14.014 -2.369 -0.472 144 HA LEU 22 HA LEU 22 -13.187 -1.628 2.237 145 1HB LEU 22 1HB LEU 22 -12.519 -4.051 0.578 146 2HB LEU 22 2HB LEU 22 -12.006 -3.773 2.225 147 HG LEU 22 HG LEU 22 -14.924 -3.786 1.602 148 1HD1 LEU 22 1HD1 LEU 22 -13.553 -5.850 0.678 149 2HD1 LEU 22 2HD1 LEU 22 -13.633 -6.343 2.369 150 3HD1 LEU 22 3HD1 LEU 22 -15.118 -6.046 1.466 151 1HD2 LEU 22 1HD2 LEU 22 -14.139 -3.118 3.827 152 2HD2 LEU 22 2HD2 LEU 22 -15.080 -4.608 3.882 153 3HD2 LEU 22 3HD2 LEU 22 -13.321 -4.671 3.998 154 H CYS 23 H CYS 23 -10.795 -1.897 2.659 155 HA CYS 23 HA CYS 23 -9.237 -0.648 0.486 156 1HB CYS 23 1HB CYS 23 -8.644 -0.360 3.428 157 2HB CYS 23 2HB CYS 23 -8.027 0.614 2.100 158 H TYR 24 H TYR 24 -6.829 -1.073 0.694 159 HA TYR 24 HA TYR 24 -6.142 -3.494 2.114 160 1HB TYR 24 1HB TYR 24 -5.611 -4.872 0.327 161 2HB TYR 24 2HB TYR 24 -7.115 -4.129 -0.185 162 HD1 TYR 24 HD1 TYR 24 -3.408 -3.440 -0.500 163 HD2 TYR 24 HD2 TYR 24 -7.240 -3.462 -2.368 164 HE1 TYR 24 HE1 TYR 24 -2.374 -2.776 -2.618 165 HE2 TYR 24 HE2 TYR 24 -6.206 -2.788 -4.492 166 HH TYR 24 HH TYR 24 -4.046 -1.544 -5.177 167 H ARG 25 H ARG 25 -4.046 -3.691 2.597 168 HA ARG 25 HA ARG 25 -2.149 -1.753 1.466 169 1HB ARG 25 1HB ARG 25 -3.187 -1.422 3.952 170 2HB ARG 25 2HB ARG 25 -1.810 -2.448 4.324 171 1HG ARG 25 1HG ARG 25 -0.625 -0.636 2.729 172 2HG ARG 25 2HG ARG 25 -1.903 0.354 3.435 173 1HD ARG 25 1HD ARG 25 -0.077 -1.361 5.097 174 2HD ARG 25 2HD ARG 25 0.321 0.298 4.663 175 HE ARG 25 HE ARG 25 -1.467 1.056 6.000 176 1HH1 ARG 25 1HH1 ARG 25 -1.066 -2.416 6.163 177 2HH1 ARG 25 2HH1 ARG 25 -1.986 -2.572 7.619 178 1HH2 ARG 25 1HH2 ARG 25 -2.674 0.838 7.914 179 2HH2 ARG 25 2HH2 ARG 25 -2.897 -0.732 8.612 180 H LYS 26 H LYS 26 -0.681 -2.973 0.432 181 HA LYS 26 HA LYS 26 -0.118 -5.661 1.404 182 1HB LYS 26 1HB LYS 26 -0.472 -5.198 -1.021 183 2HB LYS 26 2HB LYS 26 1.018 -4.281 -1.020 184 1HG LYS 26 1HG LYS 26 2.282 -6.253 -0.444 185 2HG LYS 26 2HG LYS 26 0.796 -7.193 -0.308 186 1HD LYS 26 1HD LYS 26 0.674 -6.040 -2.840 187 2HD LYS 26 2HD LYS 26 2.358 -6.535 -2.654 188 1HE LYS 26 1HE LYS 26 1.547 -8.508 -3.407 189 2HE LYS 26 2HE LYS 26 1.151 -8.727 -1.703 190 1HZ LYS 26 1HZ LYS 26 -0.773 -7.480 -3.562 191 2HZ LYS 26 2HZ LYS 26 -0.661 -9.162 -3.427 192 3HZ LYS 26 3HZ LYS 26 -1.070 -8.231 -2.075 193 H MET 27 H MET 27 1.787 -6.371 2.192 194 HA MET 27 HA MET 27 4.036 -4.533 2.354 195 1HB MET 27 1HB MET 27 2.614 -5.685 4.739 196 2HB MET 27 2HB MET 27 4.270 -5.106 4.822 197 1HG MET 27 1HG MET 27 3.613 -2.997 4.993 198 2HG MET 27 2HG MET 27 2.552 -3.145 3.595 199 1HE MET 27 1HE MET 27 2.024 -1.260 5.973 200 2HE MET 27 2HE MET 27 0.895 -1.811 7.210 201 3HE MET 27 3HE MET 27 2.587 -2.302 7.280 202 H TRP 28 H TRP 28 6.000 -5.481 2.408 203 HA TRP 28 HA TRP 28 6.448 -8.156 3.230 204 1HB TRP 28 1HB TRP 28 7.236 -8.912 0.859 205 2HB TRP 28 2HB TRP 28 5.552 -9.070 1.308 206 HD1 TRP 28 HD1 TRP 28 4.050 -6.769 0.438 207 HE1 TRP 28 HE1 TRP 28 4.089 -5.750 -1.923 208 HE3 TRP 28 HE3 TRP 28 8.529 -8.623 -1.149 209 HZ2 TRP 28 HZ2 TRP 28 5.798 -5.747 -4.170 210 HZ3 TRP 28 HZ3 TRP 28 9.294 -8.074 -3.422 211 HH2 TRP 28 HH2 TRP 28 7.955 -6.667 -4.901 212 H CYS 29 H CYS 29 8.406 -7.392 0.493 213 HA CYS 29 HA CYS 29 10.224 -5.851 2.132 214 1HB CYS 29 1HB CYS 29 10.832 -8.511 1.010 215 2HB CYS 29 2HB CYS 29 12.076 -7.305 0.953 216 H ASP 30 H ASP 30 11.049 -4.192 1.119 217 HA ASP 30 HA ASP 30 10.571 -3.752 -1.670 218 1HB ASP 30 1HB ASP 30 12.674 -2.073 -0.856 219 2HB ASP 30 2HB ASP 30 11.025 -1.626 -1.136 220 H ALA 31 H ALA 31 11.873 -4.148 -3.281 221 HA ALA 31 HA ALA 31 13.492 -6.235 -3.490 222 1HB ALA 31 1HB ALA 31 14.149 -5.490 -5.558 223 2HB ALA 31 2HB ALA 31 12.748 -4.460 -5.261 224 3HB ALA 31 3HB ALA 31 14.376 -3.829 -5.010 225 H PHE 32 H PHE 32 14.346 -5.921 -1.240 226 HA PHE 32 HA PHE 32 17.127 -5.748 -1.386 227 1HB PHE 32 1HB PHE 32 15.908 -3.284 -1.108 228 2HB PHE 32 2HB PHE 32 16.400 -3.689 0.523 229 HD1 PHE 32 HD1 PHE 32 18.894 -4.933 0.412 230 HD2 PHE 32 HD2 PHE 32 17.394 -1.924 -2.195 231 HE1 PHE 32 HE1 PHE 32 21.198 -4.273 -0.148 232 HE2 PHE 32 HE2 PHE 32 19.693 -1.255 -2.755 233 HZ PHE 32 HZ PHE 32 21.599 -2.432 -1.733 234 H CYS 33 H CYS 33 14.168 -5.856 0.550 235 HA CYS 33 HA CYS 33 13.811 -6.584 2.707 236 1HB CYS 33 1HB CYS 33 13.996 -8.562 0.929 237 2HB CYS 33 2HB CYS 33 15.318 -9.047 1.984 238 H SER 34 H SER 34 16.089 -4.986 2.579 239 HA SER 34 HA SER 34 17.396 -5.646 5.017 240 1HB SER 34 1HB SER 34 18.952 -5.898 2.432 241 2HB SER 34 2HB SER 34 19.723 -5.665 4.001 242 HG SER 34 HG SER 34 18.861 -7.929 2.912 243 H SER 35 H SER 35 18.547 -3.925 2.109 244 HA SER 35 HA SER 35 19.102 -1.543 3.570 245 1HB SER 35 1HB SER 35 20.187 -2.339 1.369 246 2HB SER 35 2HB SER 35 18.772 -1.650 0.576 247 HG SER 35 HG SER 35 20.715 -0.329 2.151 248 H ARG 36 H ARG 36 16.716 -2.120 0.941 249 HA ARG 36 HA ARG 36 15.198 0.175 1.671 250 1HB ARG 36 1HB ARG 36 14.187 -2.142 0.010 251 2HB ARG 36 2HB ARG 36 13.593 -0.521 0.023 252 1HG ARG 36 1HG ARG 36 15.597 -1.648 -1.650 253 2HG ARG 36 2HG ARG 36 14.783 -0.101 -1.760 254 1HD ARG 36 1HD ARG 36 17.302 -0.725 -0.227 255 2HD ARG 36 2HD ARG 36 17.150 0.264 -1.670 256 HE ARG 36 HE ARG 36 16.648 1.069 1.035 257 1HH1 ARG 36 1HH1 ARG 36 15.908 1.702 -2.314 258 2HH1 ARG 36 2HH1 ARG 36 15.467 3.353 -2.032 259 1HH2 ARG 36 1HH2 ARG 36 16.063 3.238 1.407 260 2HH2 ARG 36 2HH2 ARG 36 15.550 4.224 0.079 261 H GLY 37 H GLY 37 13.971 -3.272 1.609 262 1HA GLY 37 1HA GLY 37 12.944 -2.570 4.325 263 2HA GLY 37 2HA GLY 37 13.714 -4.107 4.010 264 H LYS 38 H LYS 38 10.823 -2.833 4.643 265 HA LYS 38 HA LYS 38 9.476 -5.034 3.345 266 1HB LYS 38 1HB LYS 38 7.762 -3.378 4.959 267 2HB LYS 38 2HB LYS 38 8.101 -5.094 5.069 268 1HG LYS 38 1HG LYS 38 10.355 -4.232 6.135 269 2HG LYS 38 2HG LYS 38 9.364 -2.817 6.495 270 1HD LYS 38 1HD LYS 38 9.263 -4.320 8.366 271 2HD LYS 38 2HD LYS 38 7.696 -4.331 7.554 272 1HE LYS 38 1HE LYS 38 7.860 -6.504 7.054 273 2HE LYS 38 2HE LYS 38 9.525 -6.334 6.501 274 1HZ LYS 38 1HZ LYS 38 10.026 -6.187 9.020 275 2HZ LYS 38 2HZ LYS 38 8.520 -6.936 9.199 276 3HZ LYS 38 3HZ LYS 38 9.746 -7.700 8.318 277 H VAL 39 H VAL 39 8.069 -4.885 1.722 278 HA VAL 39 HA VAL 39 7.865 -2.459 0.253 279 HB VAL 39 HB VAL 39 6.530 -5.142 -0.027 280 1HG1 VAL 39 1HG1 VAL 39 5.954 -2.627 -1.570 281 2HG1 VAL 39 2HG1 VAL 39 5.677 -4.229 -2.250 282 3HG1 VAL 39 3HG1 VAL 39 4.813 -3.728 -0.796 283 1HG2 VAL 39 1HG2 VAL 39 8.946 -4.021 -0.917 284 2HG2 VAL 39 2HG2 VAL 39 8.268 -5.594 -1.322 285 3HG2 VAL 39 3HG2 VAL 39 7.917 -4.195 -2.334 286 H VAL 40 H VAL 40 5.998 -1.230 -0.210 287 HA VAL 40 HA VAL 40 3.743 -1.545 1.631 288 HB VAL 40 HB VAL 40 5.144 1.084 1.124 289 1HG1 VAL 40 1HG1 VAL 40 2.583 0.346 2.445 290 2HG1 VAL 40 2HG1 VAL 40 3.538 1.665 3.125 291 3HG1 VAL 40 3HG1 VAL 40 2.980 1.752 1.454 292 1HG2 VAL 40 1HG2 VAL 40 5.032 -0.663 3.574 293 2HG2 VAL 40 2HG2 VAL 40 6.459 -0.247 2.626 294 3HG2 VAL 40 3HG2 VAL 40 5.626 0.997 3.560 295 H GLU 41 H GLU 41 2.081 -1.895 0.331 296 HA GLU 41 HA GLU 41 1.802 -0.237 -2.088 297 1HB GLU 41 1HB GLU 41 1.974 -2.939 -2.076 298 2HB GLU 41 2HB GLU 41 0.234 -2.738 -1.910 299 1HG GLU 41 1HG GLU 41 0.123 -2.494 -4.103 300 2HG GLU 41 2HG GLU 41 0.982 -0.965 -3.924 301 H LEU 42 H LEU 42 -0.445 0.268 -2.681 302 HA LEU 42 HA LEU 42 -2.337 0.208 -0.460 303 1HB LEU 42 1HB LEU 42 -0.799 2.487 -1.234 304 2HB LEU 42 2HB LEU 42 -2.482 2.801 -1.600 305 HG LEU 42 HG LEU 42 -3.110 2.415 0.693 306 1HD1 LEU 42 1HD1 LEU 42 -0.271 1.514 0.947 307 2HD1 LEU 42 2HD1 LEU 42 -1.144 2.131 2.349 308 3HD1 LEU 42 3HD1 LEU 42 -1.749 0.718 1.485 309 1HD2 LEU 42 1HD2 LEU 42 -2.215 4.647 -0.020 310 2HD2 LEU 42 2HD2 LEU 42 -2.097 4.315 1.708 311 3HD2 LEU 42 3HD2 LEU 42 -0.668 4.175 0.683 312 H GLY 43 H GLY 43 -4.482 0.369 -1.039 313 1HA GLY 43 1HA GLY 43 -5.166 -0.516 -3.639 314 2HA GLY 43 2HA GLY 43 -5.499 1.201 -3.492 315 H CYS 44 H CYS 44 -7.658 -0.036 -4.015 316 HA CYS 44 HA CYS 44 -8.966 -0.729 -1.478 317 1HB CYS 44 1HB CYS 44 -10.259 1.083 -1.576 318 2HB CYS 44 2HB CYS 44 -9.362 1.630 -2.982 319 H ALA 45 H ALA 45 -10.694 -2.206 -1.622 320 HA ALA 45 HA ALA 45 -11.336 -3.322 -4.239 321 1HB ALA 45 1HB ALA 45 -9.356 -4.574 -3.454 322 2HB ALA 45 2HB ALA 45 -10.788 -5.590 -3.623 323 3HB ALA 45 3HB ALA 45 -10.263 -5.063 -2.023 324 H ALA 46 H ALA 46 -12.828 -5.414 -3.693 325 HA ALA 46 HA ALA 46 -14.938 -4.347 -1.946 326 1HB ALA 46 1HB ALA 46 -16.487 -5.721 -3.263 327 2HB ALA 46 2HB ALA 46 -15.587 -4.590 -4.273 328 3HB ALA 46 3HB ALA 46 -15.135 -6.294 -4.240 329 H THR 47 H THR 47 -12.828 -7.046 -2.465 330 HA THR 47 HA THR 47 -13.930 -8.323 -0.061 331 HB THR 47 HB THR 47 -14.745 -9.600 -1.968 332 HG1 THR 47 HG1 THR 47 -13.890 -11.598 -1.371 333 1HG2 THR 47 1HG2 THR 47 -12.301 -9.003 -3.163 334 2HG2 THR 47 2HG2 THR 47 -12.281 -10.744 -2.882 335 3HG2 THR 47 3HG2 THR 47 -13.594 -10.014 -3.806 336 H CYS 48 H CYS 48 -12.222 -10.319 0.372 337 HA CYS 48 HA CYS 48 -9.685 -8.920 0.745 338 1HB CYS 48 1HB CYS 48 -11.220 -10.815 2.301 339 2HB CYS 48 2HB CYS 48 -9.550 -11.331 2.135 340 HA PRO 49 HA PRO 49 -8.236 -11.521 -2.674 341 1HB PRO 49 1HB PRO 49 -5.710 -10.468 -2.707 342 2HB PRO 49 2HB PRO 49 -7.090 -9.752 -3.542 343 1HG PRO 49 1HG PRO 49 -5.884 -9.024 -0.903 344 2HG PRO 49 2HG PRO 49 -6.486 -7.964 -2.191 345 1HD PRO 49 1HD PRO 49 -7.925 -8.467 0.025 346 2HD PRO 49 2HD PRO 49 -8.694 -8.239 -1.559 347 H SER 50 H SER 50 -6.665 -13.188 -2.900 348 HA SER 50 HA SER 50 -6.124 -14.581 -0.480 349 1HB SER 50 1HB SER 50 -4.748 -16.067 -2.131 350 2HB SER 50 2HB SER 50 -6.504 -16.011 -2.281 351 HG SER 50 HG SER 50 -6.005 -15.529 -4.280 352 H LYS 51 H LYS 51 -3.848 -15.537 -0.129 353 HA LYS 51 HA LYS 51 -1.993 -13.285 -0.004 354 1HB LYS 51 1HB LYS 51 -1.276 -15.801 1.312 355 2HB LYS 51 2HB LYS 51 -1.119 -14.157 1.886 356 1HG LYS 51 1HG LYS 51 -2.873 -14.458 3.191 357 2HG LYS 51 2HG LYS 51 -3.883 -14.734 1.774 358 1HD LYS 51 1HD LYS 51 -4.066 -16.609 3.299 359 2HD LYS 51 2HD LYS 51 -3.251 -17.116 1.818 360 1HE LYS 51 1HE LYS 51 -1.103 -16.453 3.227 361 2HE LYS 51 2HE LYS 51 -2.183 -16.811 4.573 362 1HZ LYS 51 1HZ LYS 51 -2.640 -18.957 3.205 363 2HZ LYS 51 2HZ LYS 51 -1.143 -18.611 2.498 364 3HZ LYS 51 3HZ LYS 51 -1.254 -18.850 4.169 365 H LYS 52 H LYS 52 0.378 -13.875 -0.189 366 HA LYS 52 HA LYS 52 0.873 -15.956 -2.185 367 1HB LYS 52 1HB LYS 52 1.697 -13.064 -2.499 368 2HB LYS 52 2HB LYS 52 2.246 -14.379 -3.527 369 1HG LYS 52 1HG LYS 52 -0.627 -14.348 -3.375 370 2HG LYS 52 2HG LYS 52 -0.008 -12.774 -3.878 371 1HD LYS 52 1HD LYS 52 1.081 -15.251 -5.142 372 2HD LYS 52 2HD LYS 52 -0.495 -14.640 -5.651 373 1HE LYS 52 1HE LYS 52 2.094 -13.092 -5.659 374 2HE LYS 52 2HE LYS 52 1.297 -13.780 -7.073 375 1HZ LYS 52 1HZ LYS 52 -0.675 -12.314 -6.064 376 2HZ LYS 52 2HZ LYS 52 0.648 -11.389 -5.558 377 3HZ LYS 52 3HZ LYS 52 0.428 -11.723 -7.201 378 HA PRO 53 HA PRO 53 4.477 -16.599 0.292 379 1HB PRO 53 1HB PRO 53 6.049 -17.949 -1.431 380 2HB PRO 53 2HB PRO 53 4.582 -18.658 -0.746 381 1HG PRO 53 1HG PRO 53 5.005 -17.412 -3.434 382 2HG PRO 53 2HG PRO 53 4.125 -18.893 -3.014 383 1HD PRO 53 1HD PRO 53 2.898 -16.503 -3.487 384 2HD PRO 53 2HD PRO 53 2.234 -17.742 -2.403 385 H TYR 54 H TYR 54 4.526 -14.017 -0.332 386 HA TYR 54 HA TYR 54 7.168 -13.265 -0.340 387 1HB TYR 54 1HB TYR 54 6.381 -13.985 -2.939 388 2HB TYR 54 2HB TYR 54 6.530 -12.236 -2.916 389 HD1 TYR 54 HD1 TYR 54 8.262 -15.185 -3.503 390 HD2 TYR 54 HD2 TYR 54 8.740 -11.395 -1.630 391 HE1 TYR 54 HE1 TYR 54 10.703 -15.398 -3.708 392 HE2 TYR 54 HE2 TYR 54 11.183 -11.598 -1.830 393 HH TYR 54 HH TYR 54 12.827 -12.791 -3.186 394 H GLU 55 H GLU 55 3.917 -12.428 -1.341 395 HA GLU 55 HA GLU 55 4.262 -9.817 -0.046 396 1HB GLU 55 1HB GLU 55 2.578 -10.021 -2.514 397 2HB GLU 55 2HB GLU 55 3.332 -8.604 -1.798 398 1HG GLU 55 1HG GLU 55 5.476 -9.241 -2.603 399 2HG GLU 55 2HG GLU 55 4.884 -10.824 -3.101 400 H GLU 56 H GLU 56 2.821 -9.574 1.512 401 HA GLU 56 HA GLU 56 0.267 -11.027 1.318 402 1HB GLU 56 1HB GLU 56 2.104 -10.442 3.577 403 2HB GLU 56 2HB GLU 56 0.383 -10.416 3.924 404 1HG GLU 56 1HG GLU 56 0.197 -12.639 3.797 405 2HG GLU 56 2HG GLU 56 1.251 -12.746 2.387 406 H VAL 57 H VAL 57 -1.635 -9.950 2.142 407 HA VAL 57 HA VAL 57 -1.409 -7.028 2.295 408 HB VAL 57 HB VAL 57 -3.819 -7.318 1.066 409 1HG1 VAL 57 1HG1 VAL 57 -2.011 -5.688 0.595 410 2HG1 VAL 57 2HG1 VAL 57 -1.208 -6.922 -0.375 411 3HG1 VAL 57 3HG1 VAL 57 -2.794 -6.318 -0.854 412 1HG2 VAL 57 1HG2 VAL 57 -3.115 -9.767 0.690 413 2HG2 VAL 57 2HG2 VAL 57 -3.780 -8.859 -0.668 414 3HG2 VAL 57 3HG2 VAL 57 -2.038 -9.106 -0.540 415 H THR 58 H THR 58 -3.241 -5.970 3.255 416 HA THR 58 HA THR 58 -4.899 -7.696 4.957 417 HB THR 58 HB THR 58 -4.592 -5.437 6.474 418 HG1 THR 58 HG1 THR 58 -2.853 -4.861 4.954 419 1HG2 THR 58 1HG2 THR 58 -4.347 -7.921 7.085 420 2HG2 THR 58 2HG2 THR 58 -2.629 -7.664 6.781 421 3HG2 THR 58 3HG2 THR 58 -3.455 -6.721 8.022 422 H CYS 59 H CYS 59 -6.999 -7.287 4.672 423 HA CYS 59 HA CYS 59 -7.748 -4.739 3.420 424 1HB CYS 59 1HB CYS 59 -9.933 -6.569 3.387 425 2HB CYS 59 2HB CYS 59 -9.009 -5.946 2.035 426 H CYS 60 H CYS 60 -9.521 -3.536 4.230 427 HA CYS 60 HA CYS 60 -10.728 -4.426 6.731 428 1HB CYS 60 1HB CYS 60 -10.174 -2.410 7.923 429 2HB CYS 60 2HB CYS 60 -8.679 -3.107 7.308 430 H SER 61 H SER 61 -12.089 -2.227 7.450 431 HA SER 61 HA SER 61 -13.441 -1.104 5.140 432 1HB SER 61 1HB SER 61 -15.559 -1.998 5.538 433 2HB SER 61 2HB SER 61 -14.513 -3.379 5.868 434 HG SER 61 HG SER 61 -15.968 -3.183 7.547 435 H THR 62 H THR 62 -11.778 -0.083 7.277 436 HA THR 62 HA THR 62 -13.721 1.484 8.842 437 HB THR 62 HB THR 62 -10.825 1.666 9.450 438 HG1 THR 62 HG1 THR 62 -10.652 -0.424 9.498 439 1HG2 THR 62 1HG2 THR 62 -13.188 2.315 10.766 440 2HG2 THR 62 2HG2 THR 62 -12.550 0.910 11.619 441 3HG2 THR 62 3HG2 THR 62 -11.551 2.350 11.421 442 H ASP 63 H ASP 63 -12.562 1.879 5.970 443 HA ASP 63 HA ASP 63 -12.068 3.644 4.622 444 1HB ASP 63 1HB ASP 63 -13.973 4.610 6.110 445 2HB ASP 63 2HB ASP 63 -12.681 5.540 6.855 446 H LYS 64 H LYS 64 -10.411 5.011 4.107 447 HA LYS 64 HA LYS 64 -8.095 5.362 4.134 448 1HB LYS 64 1HB LYS 64 -9.078 7.029 6.457 449 2HB LYS 64 2HB LYS 64 -7.623 7.327 5.520 450 1HG LYS 64 1HG LYS 64 -8.751 8.438 3.968 451 2HG LYS 64 2HG LYS 64 -9.939 7.143 3.810 452 1HD LYS 64 1HD LYS 64 -11.082 9.138 4.497 453 2HD LYS 64 2HD LYS 64 -11.062 8.013 5.857 454 1HE LYS 64 1HE LYS 64 -8.769 9.833 5.767 455 2HE LYS 64 2HE LYS 64 -10.322 10.641 5.970 456 1HZ LYS 64 1HZ LYS 64 -10.023 8.327 7.645 457 2HZ LYS 64 2HZ LYS 64 -8.861 9.515 7.955 458 3HZ LYS 64 3HZ LYS 64 -10.507 9.896 8.048 459 H CYS 65 H CYS 65 -8.657 2.976 5.629 460 HA CYS 65 HA CYS 65 -7.033 3.153 8.026 461 1HB CYS 65 1HB CYS 65 -8.394 1.564 8.774 462 2HB CYS 65 2HB CYS 65 -9.221 1.580 7.229 463 H ASN 66 H ASN 66 -6.428 2.575 4.778 464 HA ASN 66 HA ASN 66 -4.181 0.809 5.396 465 1HB ASN 66 1HB ASN 66 -4.236 0.172 3.063 466 2HB ASN 66 2HB ASN 66 -5.811 -0.064 3.802 467 2HD2 ASN 66 2HD2 ASN 66 -4.387 0.867 1.101 468 1HD2 ASN 66 1HD2 ASN 66 -5.535 2.007 0.496 469 HA PRO 67 HA PRO 67 -2.244 4.802 3.889 470 1HB PRO 67 1HB PRO 67 -1.599 6.091 6.105 471 2HB PRO 67 2HB PRO 67 -3.275 6.107 5.536 472 1HG PRO 67 1HG PRO 67 -2.030 4.471 7.712 473 2HG PRO 67 2HG PRO 67 -3.599 5.295 7.692 474 1HD PRO 67 1HD PRO 67 -3.197 2.593 7.150 475 2HD PRO 67 2HD PRO 67 -4.620 3.537 6.680 476 H HIS 68 H HIS 68 -0.045 5.099 3.643 477 HA HIS 68 HA HIS 68 1.719 3.014 4.163 478 1HB HIS 68 1HB HIS 68 2.062 4.836 2.483 479 2HB HIS 68 2HB HIS 68 2.484 5.918 3.805 480 HD1 HIS 68 HD1 HIS 68 4.623 5.006 5.290 481 HD2 HIS 68 HD2 HIS 68 4.180 3.528 1.433 482 HE1 HIS 68 HE1 HIS 68 6.872 4.071 4.667 483 HE2 HIS 68 HE2 HIS 68 6.606 3.273 2.292 484 HA PRO 69 HA PRO 69 2.371 3.762 8.550 485 1HB PRO 69 1HB PRO 69 3.945 1.624 9.026 486 2HB PRO 69 2HB PRO 69 2.199 1.477 8.795 487 1HG PRO 69 1HG PRO 69 4.415 0.988 6.842 488 2HG PRO 69 2HG PRO 69 2.958 0.024 7.145 489 1HD PRO 69 1HD PRO 69 3.179 1.763 5.065 490 2HD PRO 69 2HD PRO 69 1.634 1.392 5.854 491 H LYS 70 H LYS 70 3.699 5.636 7.410 492 HA LYS 70 HA LYS 70 6.109 5.897 8.779 493 1HB LYS 70 1HB LYS 70 6.618 4.174 6.819 494 2HB LYS 70 2HB LYS 70 6.789 5.653 5.886 495 1HG LYS 70 1HG LYS 70 8.941 4.981 6.686 496 2HG LYS 70 2HG LYS 70 8.454 6.453 7.528 497 1HD LYS 70 1HD LYS 70 7.509 4.233 9.028 498 2HD LYS 70 2HD LYS 70 9.202 3.935 8.627 499 1HE LYS 70 1HE LYS 70 9.885 5.976 9.637 500 2HE LYS 70 2HE LYS 70 8.218 6.528 9.798 501 1HZ LYS 70 1HZ LYS 70 8.127 4.254 11.177 502 2HZ LYS 70 2HZ LYS 70 9.733 4.700 11.466 503 3HZ LYS 70 3HZ LYS 70 8.474 5.754 11.877 504 H GLN 71 H GLN 71 4.177 6.813 6.000 505 HA GLN 71 HA GLN 71 5.269 9.234 5.294 506 1HB GLN 71 1HB GLN 71 3.018 9.881 4.538 507 2HB GLN 71 2HB GLN 71 3.413 8.229 4.083 508 1HG GLN 71 1HG GLN 71 1.795 7.343 5.364 509 2HG GLN 71 2HG GLN 71 2.013 8.529 6.649 510 2HE2 GLN 71 2HE2 GLN 71 -0.313 7.424 4.951 511 1HE2 GLN 71 1HE2 GLN 71 -1.192 8.847 4.521 512 H ARG 72 H ARG 72 4.018 11.406 5.669 513 HA ARG 72 HA ARG 72 4.209 11.938 8.523 514 1HB ARG 72 1HB ARG 72 3.642 14.013 6.426 515 2HB ARG 72 2HB ARG 72 4.456 14.203 7.972 516 1HG ARG 72 1HG ARG 72 6.345 14.167 6.798 517 2HG ARG 72 2HG ARG 72 6.082 12.428 6.658 518 1HD ARG 72 1HD ARG 72 6.542 13.597 4.493 519 2HD ARG 72 2HD ARG 72 5.038 12.677 4.533 520 HE ARG 72 HE ARG 72 4.739 15.462 5.206 521 1HH1 ARG 72 1HH1 ARG 72 4.798 13.119 2.619 522 2HH1 ARG 72 2HH1 ARG 72 3.861 14.100 1.543 523 1HH2 ARG 72 1HH2 ARG 72 3.508 16.752 3.791 524 2HH2 ARG 72 2HH2 ARG 72 3.130 16.163 2.207 525 HA PRO 73 HA PRO 73 -0.134 12.242 9.228 526 1HB PRO 73 1HB PRO 73 -0.265 14.153 11.134 527 2HB PRO 73 2HB PRO 73 0.392 12.543 11.450 528 1HG PRO 73 1HG PRO 73 1.840 15.101 10.883 529 2HG PRO 73 2HG PRO 73 2.200 13.857 12.095 530 1HD PRO 73 1HD PRO 73 3.518 14.035 9.726 531 2HD PRO 73 2HD PRO 73 3.251 12.495 10.566 532 H GLY 74 H GLY 74 -1.485 13.064 7.753 533 1HA GLY 74 1HA GLY 74 -1.105 15.722 6.681 534 2HA GLY 74 2HA GLY 74 -2.540 15.551 7.680 535 H1 TRP 75 H1 TRP 75 4.530 1.493 -10.547 536 H2 TRP 75 H2 TRP 75 6.041 1.248 -11.324 537 H3 TRP 75 H3 TRP 75 5.383 0.020 -10.326 538 HA TRP 75 HA TRP 75 7.116 1.128 -9.190 539 1HB TRP 75 1HB TRP 75 6.807 3.570 -8.677 540 2HB TRP 75 2HB TRP 75 7.108 3.222 -10.375 541 HD1 TRP 75 HD1 TRP 75 4.169 4.122 -8.030 542 HE1 TRP 75 HE1 TRP 75 2.383 5.343 -9.427 543 HE3 TRP 75 HE3 TRP 75 6.292 3.651 -12.656 544 HZ2 TRP 75 HZ2 TRP 75 1.932 6.013 -12.131 545 HZ3 TRP 75 HZ3 TRP 75 5.119 4.608 -14.595 546 HH2 TRP 75 HH2 TRP 75 2.984 5.764 -14.337 547 H ARG 76 H ARG 76 7.015 1.443 -6.898 548 HA ARG 76 HA ARG 76 4.368 1.697 -5.703 549 1HB ARG 76 1HB ARG 76 5.125 -0.422 -4.231 550 2HB ARG 76 2HB ARG 76 4.089 -0.548 -5.643 551 1HG ARG 76 1HG ARG 76 5.751 -2.247 -5.769 552 2HG ARG 76 2HG ARG 76 6.113 -1.039 -7.004 553 1HD ARG 76 1HD ARG 76 8.130 -0.752 -6.147 554 2HD ARG 76 2HD ARG 76 7.430 -0.313 -4.589 555 HE ARG 76 HE ARG 76 8.005 -2.375 -3.811 556 1HH1 ARG 76 1HH1 ARG 76 7.940 -2.490 -7.300 557 2HH1 ARG 76 2HH1 ARG 76 8.599 -4.089 -7.387 558 1HH2 ARG 76 1HH2 ARG 76 8.885 -4.484 -3.930 559 2HH2 ARG 76 2HH2 ARG 76 9.134 -5.219 -5.477 560 H TYR 77 H TYR 77 4.790 1.153 -3.116 561 HA TYR 77 HA TYR 77 7.050 2.930 -2.466 562 1HB TYR 77 1HB TYR 77 4.462 2.451 -0.977 563 2HB TYR 77 2HB TYR 77 5.782 3.444 -0.382 564 HD1 TYR 77 HD1 TYR 77 5.273 5.671 -0.469 565 HD2 TYR 77 HD2 TYR 77 4.008 3.184 -3.680 566 HE1 TYR 77 HE1 TYR 77 4.352 7.636 -1.621 567 HE2 TYR 77 HE2 TYR 77 3.087 5.144 -4.842 568 HH TYR 77 HH TYR 77 3.834 8.269 -4.052 569 H TYR 78 H TYR 78 7.965 2.597 -0.316 570 HA TYR 78 HA TYR 78 7.924 -0.143 0.659 571 1HB TYR 78 1HB TYR 78 10.543 1.264 0.358 572 2HB TYR 78 2HB TYR 78 10.194 -0.450 0.324 573 HD1 TYR 78 HD1 TYR 78 9.878 2.653 -1.628 574 HD2 TYR 78 HD2 TYR 78 9.787 -1.587 -1.730 575 HE1 TYR 78 HE1 TYR 78 9.816 2.709 -4.064 576 HE2 TYR 78 HE2 TYR 78 9.781 -1.545 -4.166 577 HH TYR 78 HH TYR 78 10.375 -0.072 -5.985 578 H GLU 79 H GLU 79 8.503 -0.329 2.845 579 HA GLU 79 HA GLU 79 7.620 1.635 4.544 580 1HB GLU 79 1HB GLU 79 8.112 -0.837 5.020 581 2HB GLU 79 2HB GLU 79 9.753 -0.316 5.377 582 1HG GLU 79 1HG GLU 79 8.907 1.171 7.116 583 2HG GLU 79 2HG GLU 79 7.261 0.653 6.758 584 H SER 80 H SER 80 10.889 1.163 3.336 585 HA SER 80 HA SER 80 11.969 3.204 5.073 586 1HB SER 80 1HB SER 80 14.049 2.474 4.414 587 2HB SER 80 2HB SER 80 13.104 1.013 4.155 588 HG SER 80 HG SER 80 14.585 1.981 2.399 589 H SER 81 H SER 81 10.569 3.091 1.933 590 HA SER 81 HA SER 81 11.562 5.816 1.430 591 1HB SER 81 1HB SER 81 10.958 4.898 -1.068 592 2HB SER 81 2HB SER 81 12.572 4.900 -0.362 593 HG SER 81 HG SER 81 12.244 2.766 0.286 594 H LEU 82 H LEU 82 9.958 7.209 1.697 595 HA LEU 82 HA LEU 82 7.204 6.488 1.491 596 1HB LEU 82 1HB LEU 82 8.761 8.649 2.509 597 2HB LEU 82 2HB LEU 82 7.559 9.315 1.424 598 HG LEU 82 HG LEU 82 7.070 9.047 3.973 599 1HD1 LEU 82 1HD1 LEU 82 5.526 9.362 1.702 600 2HD1 LEU 82 2HD1 LEU 82 4.719 8.069 2.588 601 3HD1 LEU 82 3HD1 LEU 82 5.008 9.624 3.367 602 1HD2 LEU 82 1HD2 LEU 82 7.609 6.541 3.797 603 2HD2 LEU 82 2HD2 LEU 82 6.180 7.029 4.707 604 3HD2 LEU 82 3HD2 LEU 82 6.007 6.396 3.071 605 H GLU 83 H GLU 83 9.554 7.971 -0.622 606 HA GLU 83 HA GLU 83 7.718 9.064 -2.486 607 1HB GLU 83 1HB GLU 83 10.536 8.195 -3.099 608 2HB GLU 83 2HB GLU 83 9.608 9.476 -3.858 609 1HG GLU 83 1HG GLU 83 10.795 10.820 -2.531 610 2HG GLU 83 2HG GLU 83 9.638 10.330 -1.294 611 HA PRO 84 HA PRO 84 6.993 5.463 -4.993 612 1HB PRO 84 1HB PRO 84 6.612 6.772 -7.426 613 2HB PRO 84 2HB PRO 84 5.414 6.665 -6.135 614 1HG PRO 84 1HG PRO 84 6.734 9.004 -7.066 615 2HG PRO 84 2HG PRO 84 5.652 8.866 -5.671 616 1HD PRO 84 1HD PRO 84 8.628 8.862 -5.771 617 2HD PRO 84 2HD PRO 84 7.546 9.442 -4.493 618 H TYR 85 H TYR 85 8.138 3.969 -6.083 619 HA TYR 85 HA TYR 85 10.634 4.841 -7.375 620 1HB TYR 85 1HB TYR 85 9.848 2.488 -5.750 621 2HB TYR 85 2HB TYR 85 11.184 2.331 -6.861 622 HD1 TYR 85 HD1 TYR 85 12.362 1.758 -4.561 623 HD2 TYR 85 HD2 TYR 85 10.930 5.656 -5.577 624 HE1 TYR 85 HE1 TYR 85 13.833 2.747 -2.874 625 HE2 TYR 85 HE2 TYR 85 12.412 6.636 -3.886 626 HH TYR 85 HH TYR 85 14.613 5.952 -2.737 627 HA PRO 86 HA PRO 86 8.831 3.181 -11.142 628 1HB PRO 86 1HB PRO 86 10.971 3.583 -12.743 629 2HB PRO 86 2HB PRO 86 9.909 4.901 -12.234 630 1HG PRO 86 1HG PRO 86 12.570 4.079 -11.132 631 2HG PRO 86 2HG PRO 86 11.959 5.707 -11.483 632 1HD PRO 86 1HD PRO 86 11.986 4.661 -8.981 633 2HD PRO 86 2HD PRO 86 10.750 5.813 -9.526 634 H ASP 87 H ASP 87 8.615 1.000 -10.937 635 HA ASP 87 HA ASP 87 11.061 -0.629 -11.154 636 1HB ASP 87 1HB ASP 87 9.861 -2.413 -10.003 637 2HB ASP 87 2HB ASP 87 9.832 -0.943 -9.035 No H/Q in entry = 637 Start of MODEL 10 1 H1 ILE 1 H1 ILE 1 -16.277 3.823 0.262 2 H2 ILE 1 H2 ILE 1 -17.278 3.686 1.650 3 H3 ILE 1 H3 ILE 1 -17.342 5.101 0.685 4 HA ILE 1 HA ILE 1 -16.096 5.791 2.399 5 HB ILE 1 HB ILE 1 -15.887 3.195 3.075 6 1HG1 ILE 1 1HG1 ILE 1 -13.852 5.016 4.265 7 2HG1 ILE 1 2HG1 ILE 1 -15.542 5.502 4.337 8 1HG2 ILE 1 1HG2 ILE 1 -13.956 3.045 1.375 9 2HG2 ILE 1 2HG2 ILE 1 -13.013 3.870 2.616 10 3HG2 ILE 1 3HG2 ILE 1 -13.752 2.308 2.964 11 1HD1 ILE 1 1HD1 ILE 1 -14.904 2.746 5.189 12 2HD1 ILE 1 2HD1 ILE 1 -14.370 4.062 6.234 13 3HD1 ILE 1 3HD1 ILE 1 -16.079 3.894 5.831 14 H VAL 2 H VAL 2 -13.481 5.971 2.630 15 HA VAL 2 HA VAL 2 -12.494 6.306 -0.118 16 HB VAL 2 HB VAL 2 -11.870 8.086 2.245 17 1HG1 VAL 2 1HG1 VAL 2 -10.355 7.660 -0.007 18 2HG1 VAL 2 2HG1 VAL 2 -11.303 9.084 -0.435 19 3HG1 VAL 2 3HG1 VAL 2 -10.300 9.096 1.015 20 1HG2 VAL 2 1HG2 VAL 2 -13.855 8.300 0.025 21 2HG2 VAL 2 2HG2 VAL 2 -14.038 8.681 1.738 22 3HG2 VAL 2 3HG2 VAL 2 -13.122 9.761 0.687 23 H CYS 3 H CYS 3 -10.523 5.507 -0.585 24 HA CYS 3 HA CYS 3 -8.867 4.532 1.649 25 1HB CYS 3 1HB CYS 3 -9.318 3.133 -0.998 26 2HB CYS 3 2HB CYS 3 -8.267 2.569 0.294 27 H HIS 4 H HIS 4 -6.593 4.117 0.999 28 HA HIS 4 HA HIS 4 -5.641 6.357 -0.610 29 1HB HIS 4 1HB HIS 4 -4.055 4.474 1.140 30 2HB HIS 4 2HB HIS 4 -3.495 5.992 0.447 31 HD1 HIS 4 HD1 HIS 4 -5.243 8.091 1.269 32 HD2 HIS 4 HD2 HIS 4 -4.702 4.797 3.737 33 HE1 HIS 4 HE1 HIS 4 -5.915 8.848 3.566 34 HE2 HIS 4 HE2 HIS 4 -5.356 6.904 5.066 35 H THR 5 H THR 5 -4.504 6.147 -2.466 36 HA THR 5 HA THR 5 -3.947 3.410 -3.392 37 HB THR 5 HB THR 5 -5.839 4.975 -4.495 38 HG1 THR 5 HG1 THR 5 -5.437 2.832 -5.066 39 1HG2 THR 5 1HG2 THR 5 -3.372 5.513 -6.134 40 2HG2 THR 5 2HG2 THR 5 -5.036 5.861 -6.617 41 3HG2 THR 5 3HG2 THR 5 -4.319 6.713 -5.248 42 H THR 6 H THR 6 -2.184 3.148 -4.795 43 HA THR 6 HA THR 6 -0.239 5.359 -4.804 44 HB THR 6 HB THR 6 1.503 3.475 -4.584 45 HG1 THR 6 HG1 THR 6 0.088 1.729 -4.756 46 1HG2 THR 6 1HG2 THR 6 -0.064 4.774 -2.484 47 2HG2 THR 6 2HG2 THR 6 0.813 3.329 -1.980 48 3HG2 THR 6 3HG2 THR 6 1.682 4.678 -2.711 49 H ALA 7 H ALA 7 -2.081 3.475 -6.715 50 HA ALA 7 HA ALA 7 -0.310 2.431 -8.635 51 1HB ALA 7 1HB ALA 7 -2.476 1.578 -8.705 52 2HB ALA 7 2HB ALA 7 -2.380 2.594 -10.144 53 3HB ALA 7 3HB ALA 7 -3.210 3.181 -8.703 54 H THR 8 H THR 8 -1.356 5.656 -8.033 55 HA THR 8 HA THR 8 -0.665 6.601 -10.697 56 HB THR 8 HB THR 8 -1.830 8.484 -10.183 57 HG1 THR 8 HG1 THR 8 -1.051 8.428 -7.469 58 1HG2 THR 8 1HG2 THR 8 -3.112 6.440 -9.088 59 2HG2 THR 8 2HG2 THR 8 -2.810 7.376 -7.621 60 3HG2 THR 8 3HG2 THR 8 -3.699 8.099 -8.965 61 H SER 9 H SER 9 0.566 9.003 -10.279 62 HA SER 9 HA SER 9 3.237 8.197 -9.703 63 1HB SER 9 1HB SER 9 2.046 10.371 -11.019 64 2HB SER 9 2HB SER 9 2.953 11.069 -9.678 65 HG SER 9 HG SER 9 3.854 9.956 -11.982 66 HA PRO 10 HA PRO 10 2.686 10.457 -5.601 67 1HB PRO 10 1HB PRO 10 0.577 12.256 -5.398 68 2HB PRO 10 2HB PRO 10 2.231 12.667 -5.839 69 1HG PRO 10 1HG PRO 10 -0.058 12.855 -7.491 70 2HG PRO 10 2HG PRO 10 1.630 13.041 -7.994 71 1HD PRO 10 1HD PRO 10 -0.156 10.664 -8.186 72 2HD PRO 10 2HD PRO 10 1.137 11.192 -9.275 73 H ILE 11 H ILE 11 1.622 9.851 -3.662 74 HA ILE 11 HA ILE 11 -0.532 7.984 -4.056 75 HB ILE 11 HB ILE 11 -0.296 7.442 -1.724 76 1HG1 ILE 11 1HG1 ILE 11 1.680 9.722 -1.595 77 2HG1 ILE 11 2HG1 ILE 11 0.096 9.683 -0.822 78 1HG2 ILE 11 1HG2 ILE 11 1.340 6.647 -3.511 79 2HG2 ILE 11 2HG2 ILE 11 2.488 7.765 -2.772 80 3HG2 ILE 11 3HG2 ILE 11 1.810 6.442 -1.823 81 1HD1 ILE 11 1HD1 ILE 11 1.575 7.371 -0.066 82 2HD1 ILE 11 2HD1 ILE 11 2.548 8.815 0.217 83 3HD1 ILE 11 3HD1 ILE 11 0.947 8.674 0.944 84 H SER 12 H SER 12 -2.617 8.321 -3.763 85 HA SER 12 HA SER 12 -3.502 10.586 -2.125 86 1HB SER 12 1HB SER 12 -5.268 11.007 -3.966 87 2HB SER 12 2HB SER 12 -3.628 11.592 -4.247 88 HG SER 12 HG SER 12 -4.824 10.270 -5.948 89 H ALA 13 H ALA 13 -6.134 10.471 -2.284 90 HA ALA 13 HA ALA 13 -7.002 7.695 -2.069 91 1HB ALA 13 1HB ALA 13 -6.452 9.378 0.207 92 2HB ALA 13 2HB ALA 13 -8.149 8.900 0.175 93 3HB ALA 13 3HB ALA 13 -6.886 7.670 0.153 94 H VAL 14 H VAL 14 -9.148 7.389 -2.527 95 HA VAL 14 HA VAL 14 -10.839 9.768 -2.831 96 HB VAL 14 HB VAL 14 -9.730 8.814 -5.047 97 1HG1 VAL 14 1HG1 VAL 14 -10.797 6.536 -4.497 98 2HG1 VAL 14 2HG1 VAL 14 -12.298 7.272 -5.064 99 3HG1 VAL 14 3HG1 VAL 14 -10.913 7.137 -6.152 100 1HG2 VAL 14 1HG2 VAL 14 -11.735 10.543 -4.471 101 2HG2 VAL 14 2HG2 VAL 14 -11.151 10.199 -6.100 102 3HG2 VAL 14 3HG2 VAL 14 -12.575 9.363 -5.478 103 H THR 15 H THR 15 -13.094 8.900 -3.649 104 HA THR 15 HA THR 15 -13.976 6.994 -1.630 105 HB THR 15 HB THR 15 -16.066 8.167 -3.261 106 HG1 THR 15 HG1 THR 15 -15.658 10.254 -3.006 107 1HG2 THR 15 1HG2 THR 15 -15.801 7.365 -0.668 108 2HG2 THR 15 2HG2 THR 15 -15.798 9.122 -0.530 109 3HG2 THR 15 3HG2 THR 15 -17.144 8.303 -1.321 110 H CYS 16 H CYS 16 -13.777 4.942 -2.360 111 HA CYS 16 HA CYS 16 -14.019 4.174 -5.070 112 1HB CYS 16 1HB CYS 16 -14.526 2.192 -2.894 113 2HB CYS 16 2HB CYS 16 -13.613 2.011 -4.381 114 HA PRO 17 HA PRO 17 -18.428 4.121 -5.538 115 1HB PRO 17 1HB PRO 17 -18.569 2.282 -7.565 116 2HB PRO 17 2HB PRO 17 -18.162 3.983 -7.806 117 1HG PRO 17 1HG PRO 17 -16.355 1.608 -7.614 118 2HG PRO 17 2HG PRO 17 -16.265 2.999 -8.711 119 1HD PRO 17 1HD PRO 17 -14.689 2.797 -6.540 120 2HD PRO 17 2HD PRO 17 -15.309 4.363 -7.103 121 HA PRO 18 HA PRO 18 -20.445 0.760 -3.497 122 1HB PRO 18 1HB PRO 18 -21.711 -0.561 -5.680 123 2HB PRO 18 2HB PRO 18 -22.431 0.594 -4.560 124 1HG PRO 18 1HG PRO 18 -21.352 1.026 -7.286 125 2HG PRO 18 2HG PRO 18 -22.635 1.898 -6.430 126 1HD PRO 18 1HD PRO 18 -20.219 2.988 -6.810 127 2HD PRO 18 2HD PRO 18 -21.127 3.263 -5.309 128 H GLY 19 H GLY 19 -18.621 0.047 -6.399 129 1HA GLY 19 1HA GLY 19 -17.161 -1.648 -6.894 130 2HA GLY 19 2HA GLY 19 -18.416 -2.712 -6.279 131 H GLU 20 H GLU 20 -16.188 -0.350 -4.758 132 HA GLU 20 HA GLU 20 -15.402 -2.503 -2.894 133 1HB GLU 20 1HB GLU 20 -13.558 -0.245 -3.561 134 2HB GLU 20 2HB GLU 20 -13.176 -1.847 -2.952 135 1HG GLU 20 1HG GLU 20 -12.643 -2.424 -5.018 136 2HG GLU 20 2HG GLU 20 -14.351 -2.292 -5.434 137 H ASN 21 H ASN 21 -15.326 -2.055 -0.795 138 HA ASN 21 HA ASN 21 -15.979 0.676 0.064 139 1HB ASN 21 1HB ASN 21 -17.463 -1.719 0.458 140 2HB ASN 21 2HB ASN 21 -16.916 -1.121 2.012 141 2HD2 ASN 21 2HD2 ASN 21 -19.422 -1.104 1.923 142 1HD2 ASN 21 1HD2 ASN 21 -20.102 0.434 1.555 143 H LEU 22 H LEU 22 -13.968 -2.066 0.377 144 HA LEU 22 HA LEU 22 -12.832 -1.101 2.894 145 1HB LEU 22 1HB LEU 22 -12.293 -3.679 1.431 146 2HB LEU 22 2HB LEU 22 -11.777 -3.262 3.047 147 HG LEU 22 HG LEU 22 -14.697 -3.254 2.511 148 1HD1 LEU 22 1HD1 LEU 22 -12.962 -5.598 2.194 149 2HD1 LEU 22 2HD1 LEU 22 -14.317 -5.823 3.300 150 3HD1 LEU 22 3HD1 LEU 22 -14.612 -5.318 1.636 151 1HD2 LEU 22 1HD2 LEU 22 -12.860 -3.437 4.775 152 2HD2 LEU 22 2HD2 LEU 22 -14.525 -2.860 4.706 153 3HD2 LEU 22 3HD2 LEU 22 -14.195 -4.586 4.849 154 H CYS 23 H CYS 23 -10.375 -1.541 3.008 155 HA CYS 23 HA CYS 23 -9.066 -0.633 0.527 156 1HB CYS 23 1HB CYS 23 -8.077 0.226 3.225 157 2HB CYS 23 2HB CYS 23 -7.813 0.984 1.661 158 H TYR 24 H TYR 24 -6.795 -1.287 0.336 159 HA TYR 24 HA TYR 24 -6.068 -3.436 2.196 160 1HB TYR 24 1HB TYR 24 -5.431 -4.934 0.501 161 2HB TYR 24 2HB TYR 24 -7.014 -4.336 0.040 162 HD1 TYR 24 HD1 TYR 24 -3.410 -3.329 -0.584 163 HD2 TYR 24 HD2 TYR 24 -7.312 -3.967 -2.184 164 HE1 TYR 24 HE1 TYR 24 -2.579 -2.791 -2.822 165 HE2 TYR 24 HE2 TYR 24 -6.476 -3.419 -4.428 166 HH TYR 24 HH TYR 24 -3.195 -3.252 -5.181 167 H ARG 25 H ARG 25 -3.975 -3.776 2.632 168 HA ARG 25 HA ARG 25 -2.016 -1.865 1.558 169 1HB ARG 25 1HB ARG 25 -2.725 -2.570 4.369 170 2HB ARG 25 2HB ARG 25 -1.039 -2.264 4.005 171 1HG ARG 25 1HG ARG 25 -2.449 -0.165 2.815 172 2HG ARG 25 2HG ARG 25 -3.207 -0.414 4.383 173 1HD ARG 25 1HD ARG 25 -1.108 1.178 4.069 174 2HD ARG 25 2HD ARG 25 -1.365 0.244 5.539 175 HE ARG 25 HE ARG 25 0.637 -0.725 5.096 176 1HH1 ARG 25 1HH1 ARG 25 -0.827 0.085 2.034 177 2HH1 ARG 25 2HH1 ARG 25 0.451 -0.604 1.099 178 1HH2 ARG 25 1HH2 ARG 25 2.335 -1.596 3.865 179 2HH2 ARG 25 2HH2 ARG 25 2.253 -1.550 2.137 180 H LYS 26 H LYS 26 -0.877 -3.229 0.223 181 HA LYS 26 HA LYS 26 -0.221 -5.914 1.136 182 1HB LYS 26 1HB LYS 26 -0.928 -5.402 -1.230 183 2HB LYS 26 2HB LYS 26 0.616 -4.602 -1.440 184 1HG LYS 26 1HG LYS 26 1.579 -6.881 -0.605 185 2HG LYS 26 2HG LYS 26 0.014 -7.496 -1.140 186 1HD LYS 26 1HD LYS 26 0.887 -5.823 -3.201 187 2HD LYS 26 2HD LYS 26 2.319 -6.725 -2.700 188 1HE LYS 26 1HE LYS 26 1.562 -8.365 -4.011 189 2HE LYS 26 2HE LYS 26 0.356 -8.653 -2.758 190 1HZ LYS 26 1HZ LYS 26 -0.965 -6.851 -4.017 191 2HZ LYS 26 2HZ LYS 26 0.065 -7.211 -5.309 192 3HZ LYS 26 3HZ LYS 26 -0.915 -8.420 -4.649 193 H MET 27 H MET 27 1.825 -6.706 1.473 194 HA MET 27 HA MET 27 4.077 -4.880 1.309 195 1HB MET 27 1HB MET 27 2.992 -5.957 3.875 196 2HB MET 27 2HB MET 27 4.708 -5.626 3.713 197 1HG MET 27 1HG MET 27 4.397 -3.354 3.541 198 2HG MET 27 2HG MET 27 2.735 -3.516 2.980 199 1HE MET 27 1HE MET 27 4.800 -5.040 5.600 200 2HE MET 27 2HE MET 27 4.526 -4.042 7.028 201 3HE MET 27 3HE MET 27 3.532 -5.471 6.747 202 H TRP 28 H TRP 28 5.981 -5.812 0.979 203 HA TRP 28 HA TRP 28 6.670 -8.476 1.678 204 1HB TRP 28 1HB TRP 28 6.787 -9.509 -0.542 205 2HB TRP 28 2HB TRP 28 5.129 -9.092 -0.139 206 HD1 TRP 28 HD1 TRP 28 5.420 -5.985 -0.972 207 HE1 TRP 28 HE1 TRP 28 5.426 -5.393 -3.480 208 HE3 TRP 28 HE3 TRP 28 6.768 -10.527 -2.858 209 HZ2 TRP 28 HZ2 TRP 28 5.948 -6.682 -5.927 210 HZ3 TRP 28 HZ3 TRP 28 7.003 -10.771 -5.297 211 HH2 TRP 28 HH2 TRP 28 6.600 -8.887 -6.800 212 H CYS 29 H CYS 29 8.802 -8.320 2.019 213 HA CYS 29 HA CYS 29 10.247 -6.104 1.361 214 1HB CYS 29 1HB CYS 29 11.305 -8.817 2.082 215 2HB CYS 29 2HB CYS 29 12.319 -7.423 1.857 216 H ASP 30 H ASP 30 11.134 -5.316 -0.333 217 HA ASP 30 HA ASP 30 11.632 -6.986 -2.669 218 1HB ASP 30 1HB ASP 30 12.237 -4.857 -3.791 219 2HB ASP 30 2HB ASP 30 10.623 -4.776 -3.102 220 H ALA 31 H ALA 31 13.797 -7.201 -3.459 221 HA ALA 31 HA ALA 31 15.703 -8.018 -1.808 222 1HB ALA 31 1HB ALA 31 16.091 -8.305 -4.094 223 2HB ALA 31 2HB ALA 31 17.413 -7.274 -3.545 224 3HB ALA 31 3HB ALA 31 16.047 -6.571 -4.411 225 H PHE 32 H PHE 32 14.999 -6.273 -0.123 226 HA PHE 32 HA PHE 32 17.314 -4.899 0.610 227 1HB PHE 32 1HB PHE 32 15.502 -3.447 -1.056 228 2HB PHE 32 2HB PHE 32 15.509 -2.746 0.546 229 HD1 PHE 32 HD1 PHE 32 16.945 -2.469 -2.543 230 HD2 PHE 32 HD2 PHE 32 18.044 -2.666 1.562 231 HE1 PHE 32 HE1 PHE 32 19.058 -1.317 -3.057 232 HE2 PHE 32 HE2 PHE 32 20.157 -1.512 1.057 233 HZ PHE 32 HZ PHE 32 20.666 -0.835 -1.256 234 H CYS 33 H CYS 33 14.966 -6.713 1.577 235 HA CYS 33 HA CYS 33 13.279 -5.724 3.381 236 1HB CYS 33 1HB CYS 33 14.081 -8.171 2.917 237 2HB CYS 33 2HB CYS 33 15.043 -7.913 4.368 238 H SER 34 H SER 34 16.758 -5.598 3.741 239 HA SER 34 HA SER 34 16.721 -4.762 6.480 240 1HB SER 34 1HB SER 34 18.674 -5.710 4.838 241 2HB SER 34 2HB SER 34 19.039 -3.985 4.817 242 HG SER 34 HG SER 34 20.119 -4.907 6.536 243 H SER 35 H SER 35 17.462 -3.027 3.432 244 HA SER 35 HA SER 35 17.020 -0.476 4.773 245 1HB SER 35 1HB SER 35 18.743 -1.266 2.737 246 2HB SER 35 2HB SER 35 17.518 -0.310 1.904 247 HG SER 35 HG SER 35 17.913 1.268 3.675 248 H ARG 36 H ARG 36 16.046 -1.420 1.463 249 HA ARG 36 HA ARG 36 13.615 0.059 1.684 250 1HB ARG 36 1HB ARG 36 13.969 -2.051 -0.411 251 2HB ARG 36 2HB ARG 36 13.188 -0.498 -0.529 252 1HG ARG 36 1HG ARG 36 16.094 -0.439 -0.048 253 2HG ARG 36 2HG ARG 36 15.559 -1.029 -1.621 254 1HD ARG 36 1HD ARG 36 15.075 1.027 -2.304 255 2HD ARG 36 2HD ARG 36 14.099 1.337 -0.868 256 HE ARG 36 HE ARG 36 16.531 1.666 0.125 257 1HH1 ARG 36 1HH1 ARG 36 15.190 2.830 -2.885 258 2HH1 ARG 36 2HH1 ARG 36 16.197 4.236 -2.930 259 1HH2 ARG 36 1HH2 ARG 36 17.853 3.515 0.060 260 2HH2 ARG 36 2HH2 ARG 36 17.709 4.625 -1.261 261 H GLY 37 H GLY 37 13.740 -3.424 0.709 262 1HA GLY 37 1HA GLY 37 12.393 -4.166 3.116 263 2HA GLY 37 2HA GLY 37 12.755 -5.201 1.749 264 H LYS 38 H LYS 38 10.369 -4.727 3.507 265 HA LYS 38 HA LYS 38 8.441 -5.586 1.897 266 1HB LYS 38 1HB LYS 38 7.299 -3.729 3.779 267 2HB LYS 38 2HB LYS 38 7.101 -5.459 3.635 268 1HG LYS 38 1HG LYS 38 9.216 -5.769 4.855 269 2HG LYS 38 2HG LYS 38 9.332 -4.021 5.052 270 1HD LYS 38 1HD LYS 38 8.074 -4.161 6.879 271 2HD LYS 38 2HD LYS 38 6.748 -4.798 5.905 272 1HE LYS 38 1HE LYS 38 8.955 -6.427 7.163 273 2HE LYS 38 2HE LYS 38 7.306 -6.287 7.772 274 1HZ LYS 38 1HZ LYS 38 7.684 -7.173 5.006 275 2HZ LYS 38 2HZ LYS 38 8.032 -8.273 6.244 276 3HZ LYS 38 3HZ LYS 38 6.485 -7.598 6.120 277 H VAL 39 H VAL 39 7.885 -4.898 0.005 278 HA VAL 39 HA VAL 39 7.781 -2.157 -0.749 279 HB VAL 39 HB VAL 39 6.440 -4.508 -2.077 280 1HG1 VAL 39 1HG1 VAL 39 5.784 -2.088 -2.661 281 2HG1 VAL 39 2HG1 VAL 39 7.349 -2.036 -3.472 282 3HG1 VAL 39 3HG1 VAL 39 6.140 -3.222 -3.962 283 1HG2 VAL 39 1HG2 VAL 39 8.835 -4.896 -1.828 284 2HG2 VAL 39 2HG2 VAL 39 8.391 -4.651 -3.518 285 3HG2 VAL 39 3HG2 VAL 39 9.162 -3.350 -2.610 286 H VAL 40 H VAL 40 6.067 -0.786 -0.700 287 HA VAL 40 HA VAL 40 3.698 -1.729 0.745 288 HB VAL 40 HB VAL 40 4.595 1.111 0.232 289 1HG1 VAL 40 1HG1 VAL 40 2.134 0.124 1.074 290 2HG1 VAL 40 2HG1 VAL 40 2.935 0.670 2.546 291 3HG1 VAL 40 3HG1 VAL 40 2.710 1.783 1.198 292 1HG2 VAL 40 1HG2 VAL 40 6.219 -0.142 1.585 293 2HG2 VAL 40 2HG2 VAL 40 5.406 1.113 2.521 294 3HG2 VAL 40 3HG2 VAL 40 4.931 -0.574 2.709 295 H GLU 41 H GLU 41 1.813 -1.940 -0.232 296 HA GLU 41 HA GLU 41 1.365 -0.572 -2.803 297 1HB GLU 41 1HB GLU 41 1.548 -3.266 -2.521 298 2HB GLU 41 2HB GLU 41 -0.179 -3.032 -2.281 299 1HG GLU 41 1HG GLU 41 -0.320 -3.142 -4.497 300 2HG GLU 41 2HG GLU 41 0.304 -1.493 -4.481 301 H LEU 42 H LEU 42 -0.646 0.319 -3.147 302 HA LEU 42 HA LEU 42 -2.492 0.360 -0.858 303 1HB LEU 42 1HB LEU 42 -0.979 2.504 -2.041 304 2HB LEU 42 2HB LEU 42 -2.689 2.818 -2.225 305 HG LEU 42 HG LEU 42 -2.990 2.606 0.194 306 1HD1 LEU 42 1HD1 LEU 42 -0.842 1.098 0.306 307 2HD1 LEU 42 2HD1 LEU 42 -0.044 2.641 0.600 308 3HD1 LEU 42 3HD1 LEU 42 -1.324 2.091 1.680 309 1HD2 LEU 42 1HD2 LEU 42 -2.471 4.783 -0.890 310 2HD2 LEU 42 2HD2 LEU 42 -1.983 4.689 0.802 311 3HD2 LEU 42 3HD2 LEU 42 -0.776 4.531 -0.474 312 H GLY 43 H GLY 43 -4.576 -0.062 -1.358 313 1HA GLY 43 1HA GLY 43 -5.417 -0.953 -3.834 314 2HA GLY 43 2HA GLY 43 -5.731 0.768 -3.841 315 H CYS 44 H CYS 44 -7.938 0.045 -4.149 316 HA CYS 44 HA CYS 44 -9.279 -0.274 -1.566 317 1HB CYS 44 1HB CYS 44 -9.774 1.588 -3.346 318 2HB CYS 44 2HB CYS 44 -10.706 0.321 -4.137 319 H ALA 45 H ALA 45 -10.866 -1.868 -1.231 320 HA ALA 45 HA ALA 45 -11.323 -3.840 -3.321 321 1HB ALA 45 1HB ALA 45 -9.564 -5.041 -2.544 322 2HB ALA 45 2HB ALA 45 -9.649 -4.331 -0.931 323 3HB ALA 45 3HB ALA 45 -10.780 -5.603 -1.396 324 H ALA 46 H ALA 46 -13.007 -5.379 -2.782 325 HA ALA 46 HA ALA 46 -14.919 -4.245 -0.856 326 1HB ALA 46 1HB ALA 46 -15.878 -6.234 -2.803 327 2HB ALA 46 2HB ALA 46 -16.597 -4.710 -2.284 328 3HB ALA 46 3HB ALA 46 -15.305 -4.712 -3.484 329 H THR 47 H THR 47 -12.647 -6.365 -0.576 330 HA THR 47 HA THR 47 -13.949 -7.937 1.391 331 HB THR 47 HB THR 47 -14.797 -9.111 -0.602 332 HG1 THR 47 HG1 THR 47 -14.637 -10.764 0.652 333 1HG2 THR 47 1HG2 THR 47 -11.946 -9.126 -1.359 334 2HG2 THR 47 2HG2 THR 47 -12.867 -10.597 -1.676 335 3HG2 THR 47 3HG2 THR 47 -13.393 -9.061 -2.365 336 H CYS 48 H CYS 48 -12.259 -10.114 1.545 337 HA CYS 48 HA CYS 48 -9.633 -8.831 1.871 338 1HB CYS 48 1HB CYS 48 -11.276 -10.340 3.703 339 2HB CYS 48 2HB CYS 48 -9.692 -11.079 3.533 340 HA PRO 49 HA PRO 49 -8.246 -11.948 -1.021 341 1HB PRO 49 1HB PRO 49 -5.538 -11.248 -0.320 342 2HB PRO 49 2HB PRO 49 -6.391 -10.973 -1.832 343 1HG PRO 49 1HG PRO 49 -5.675 -8.970 -0.129 344 2HG PRO 49 2HG PRO 49 -7.069 -8.879 -1.219 345 1HD PRO 49 1HD PRO 49 -6.985 -9.438 1.714 346 2HD PRO 49 2HD PRO 49 -8.171 -8.512 0.771 347 H SER 50 H SER 50 -5.957 -13.386 -0.841 348 HA SER 50 HA SER 50 -6.326 -14.890 1.666 349 1HB SER 50 1HB SER 50 -5.584 -15.837 -1.106 350 2HB SER 50 2HB SER 50 -5.433 -16.851 0.329 351 HG SER 50 HG SER 50 -7.616 -16.814 0.590 352 H LYS 51 H LYS 51 -4.308 -16.320 2.120 353 HA LYS 51 HA LYS 51 -2.087 -14.511 2.427 354 1HB LYS 51 1HB LYS 51 -3.087 -16.747 3.808 355 2HB LYS 51 2HB LYS 51 -1.457 -17.140 3.294 356 1HG LYS 51 1HG LYS 51 -1.920 -14.502 4.563 357 2HG LYS 51 2HG LYS 51 -1.936 -15.938 5.587 358 1HD LYS 51 1HD LYS 51 0.282 -16.555 4.559 359 2HD LYS 51 2HD LYS 51 0.297 -14.950 3.824 360 1HE LYS 51 1HE LYS 51 0.133 -13.945 6.061 361 2HE LYS 51 2HE LYS 51 0.164 -15.556 6.777 362 1HZ LYS 51 1HZ LYS 51 2.339 -14.595 5.019 363 2HZ LYS 51 2HZ LYS 51 2.339 -14.283 6.683 364 3HZ LYS 51 3HZ LYS 51 2.367 -15.878 6.121 365 H LYS 52 H LYS 52 -0.696 -14.238 0.804 366 HA LYS 52 HA LYS 52 -0.025 -16.560 -0.870 367 1HB LYS 52 1HB LYS 52 0.739 -13.768 -1.622 368 2HB LYS 52 2HB LYS 52 0.375 -15.141 -2.656 369 1HG LYS 52 1HG LYS 52 -2.017 -14.928 -1.947 370 2HG LYS 52 2HG LYS 52 -1.572 -13.422 -1.142 371 1HD LYS 52 1HD LYS 52 -0.521 -12.920 -3.537 372 2HD LYS 52 2HD LYS 52 -1.785 -14.046 -4.036 373 1HE LYS 52 1HE LYS 52 -3.358 -12.596 -2.618 374 2HE LYS 52 2HE LYS 52 -2.063 -11.400 -2.647 375 1HZ LYS 52 1HZ LYS 52 -2.211 -11.934 -5.219 376 2HZ LYS 52 2HZ LYS 52 -3.809 -12.302 -4.803 377 3HZ LYS 52 3HZ LYS 52 -3.185 -10.761 -4.488 378 HA PRO 53 HA PRO 53 4.029 -16.924 0.832 379 1HB PRO 53 1HB PRO 53 4.927 -17.220 -1.992 380 2HB PRO 53 2HB PRO 53 5.205 -18.279 -0.605 381 1HG PRO 53 1HG PRO 53 3.441 -18.941 -2.483 382 2HG PRO 53 2HG PRO 53 3.113 -19.265 -0.770 383 1HD PRO 53 1HD PRO 53 2.016 -17.126 -2.542 384 2HD PRO 53 2HD PRO 53 1.218 -18.040 -1.246 385 H TYR 54 H TYR 54 5.110 -15.212 1.555 386 HA TYR 54 HA TYR 54 6.202 -13.222 1.649 387 1HB TYR 54 1HB TYR 54 7.300 -14.709 -0.504 388 2HB TYR 54 2HB TYR 54 7.335 -13.002 -0.916 389 HD1 TYR 54 HD1 TYR 54 9.361 -12.007 -0.473 390 HD2 TYR 54 HD2 TYR 54 7.936 -15.010 2.182 391 HE1 TYR 54 HE1 TYR 54 11.360 -11.708 0.928 392 HE2 TYR 54 HE2 TYR 54 9.930 -14.720 3.591 393 HH TYR 54 HH TYR 54 12.220 -13.890 3.395 394 H GLU 55 H GLU 55 3.453 -13.239 0.593 395 HA GLU 55 HA GLU 55 3.429 -10.521 -0.369 396 1HB GLU 55 1HB GLU 55 3.650 -11.621 -2.487 397 2HB GLU 55 2HB GLU 55 2.426 -12.809 -2.064 398 1HG GLU 55 1HG GLU 55 0.746 -11.004 -2.018 399 2HG GLU 55 2HG GLU 55 1.988 -9.876 -2.558 400 H GLU 56 H GLU 56 2.335 -10.117 1.573 401 HA GLU 56 HA GLU 56 -0.355 -11.293 1.780 402 1HB GLU 56 1HB GLU 56 1.696 -10.651 3.757 403 2HB GLU 56 2HB GLU 56 0.110 -10.022 4.178 404 1HG GLU 56 1HG GLU 56 0.245 -12.831 3.267 405 2HG GLU 56 2HG GLU 56 0.918 -12.458 4.854 406 H VAL 57 H VAL 57 -2.066 -9.887 2.570 407 HA VAL 57 HA VAL 57 -1.643 -7.029 2.119 408 HB VAL 57 HB VAL 57 -4.168 -7.513 1.037 409 1HG1 VAL 57 1HG1 VAL 57 -2.170 -5.898 0.490 410 2HG1 VAL 57 2HG1 VAL 57 -1.846 -7.099 -0.760 411 3HG1 VAL 57 3HG1 VAL 57 -3.403 -6.273 -0.712 412 1HG2 VAL 57 1HG2 VAL 57 -3.583 -9.866 0.720 413 2HG2 VAL 57 2HG2 VAL 57 -3.761 -9.032 -0.825 414 3HG2 VAL 57 3HG2 VAL 57 -2.153 -9.387 -0.194 415 H THR 58 H THR 58 -2.531 -5.883 3.701 416 HA THR 58 HA THR 58 -4.433 -7.172 5.490 417 HB THR 58 HB THR 58 -3.808 -5.617 7.097 418 HG1 THR 58 HG1 THR 58 -3.075 -3.597 6.670 419 1HG2 THR 58 1HG2 THR 58 -1.396 -5.933 5.345 420 2HG2 THR 58 2HG2 THR 58 -1.355 -5.252 6.971 421 3HG2 THR 58 3HG2 THR 58 -1.861 -6.924 6.728 422 H CYS 59 H CYS 59 -6.546 -6.824 5.252 423 HA CYS 59 HA CYS 59 -7.393 -4.485 3.704 424 1HB CYS 59 1HB CYS 59 -9.606 -6.206 4.231 425 2HB CYS 59 2HB CYS 59 -8.832 -5.860 2.696 426 H CYS 60 H CYS 60 -8.808 -2.974 4.538 427 HA CYS 60 HA CYS 60 -9.753 -3.409 7.291 428 1HB CYS 60 1HB CYS 60 -9.356 -0.877 7.592 429 2HB CYS 60 2HB CYS 60 -7.967 -1.952 7.682 430 H SER 61 H SER 61 -11.664 -2.263 7.872 431 HA SER 61 HA SER 61 -13.289 -1.524 5.534 432 1HB SER 61 1HB SER 61 -15.229 -2.253 6.737 433 2HB SER 61 2HB SER 61 -14.009 -3.515 6.906 434 HG SER 61 HG SER 61 -14.695 -1.528 8.813 435 H THR 62 H THR 62 -11.582 0.403 6.634 436 HA THR 62 HA THR 62 -13.574 2.309 7.645 437 HB THR 62 HB THR 62 -10.799 2.578 8.672 438 HG1 THR 62 HG1 THR 62 -12.633 0.758 9.831 439 1HG2 THR 62 1HG2 THR 62 -13.499 3.390 9.467 440 2HG2 THR 62 2HG2 THR 62 -12.447 2.879 10.786 441 3HG2 THR 62 3HG2 THR 62 -11.946 4.188 9.716 442 H ASP 63 H ASP 63 -12.537 4.620 7.574 443 HA ASP 63 HA ASP 63 -11.665 4.999 4.841 444 1HB ASP 63 1HB ASP 63 -13.368 6.446 6.154 445 2HB ASP 63 2HB ASP 63 -11.947 7.204 6.863 446 H LYS 64 H LYS 64 -9.805 6.232 4.251 447 HA LYS 64 HA LYS 64 -7.485 6.215 4.239 448 1HB LYS 64 1HB LYS 64 -6.647 8.030 5.588 449 2HB LYS 64 2HB LYS 64 -8.258 8.447 5.032 450 1HG LYS 64 1HG LYS 64 -8.479 7.142 7.551 451 2HG LYS 64 2HG LYS 64 -7.257 8.407 7.671 452 1HD LYS 64 1HD LYS 64 -9.243 9.653 6.257 453 2HD LYS 64 2HD LYS 64 -10.160 8.618 7.352 454 1HE LYS 64 1HE LYS 64 -9.703 9.928 9.095 455 2HE LYS 64 2HE LYS 64 -7.979 9.928 8.724 456 1HZ LYS 64 1HZ LYS 64 -9.656 11.565 7.004 457 2HZ LYS 64 2HZ LYS 64 -9.500 12.098 8.603 458 3HZ LYS 64 3HZ LYS 64 -8.123 11.883 7.644 459 H CYS 65 H CYS 65 -8.338 3.869 5.453 460 HA CYS 65 HA CYS 65 -6.833 3.505 7.902 461 1HB CYS 65 1HB CYS 65 -7.858 1.278 7.915 462 2HB CYS 65 2HB CYS 65 -9.064 2.540 7.731 463 H ASN 66 H ASN 66 -6.242 3.133 4.560 464 HA ASN 66 HA ASN 66 -4.135 1.176 5.112 465 1HB ASN 66 1HB ASN 66 -4.291 0.548 2.782 466 2HB ASN 66 2HB ASN 66 -5.868 0.432 3.543 467 2HD2 ASN 66 2HD2 ASN 66 -4.326 1.362 0.855 468 1HD2 ASN 66 1HD2 ASN 66 -5.426 2.554 0.260 469 HA PRO 67 HA PRO 67 -2.000 5.054 3.565 470 1HB PRO 67 1HB PRO 67 -1.249 6.310 5.773 471 2HB PRO 67 2HB PRO 67 -2.924 6.434 5.213 472 1HG PRO 67 1HG PRO 67 -1.776 4.740 7.396 473 2HG PRO 67 2HG PRO 67 -3.294 5.655 7.371 474 1HD PRO 67 1HD PRO 67 -3.048 2.927 6.853 475 2HD PRO 67 2HD PRO 67 -4.420 3.946 6.385 476 H HIS 68 H HIS 68 0.306 5.568 3.712 477 HA HIS 68 HA HIS 68 1.942 3.294 3.943 478 1HB HIS 68 1HB HIS 68 2.310 5.630 2.728 479 2HB HIS 68 2HB HIS 68 3.159 6.007 4.220 480 HD1 HIS 68 HD1 HIS 68 5.452 4.990 4.546 481 HD2 HIS 68 HD2 HIS 68 3.494 3.535 1.188 482 HE1 HIS 68 HE1 HIS 68 7.178 3.671 3.282 483 HE2 HIS 68 HE2 HIS 68 5.985 2.852 1.220 484 HA PRO 69 HA PRO 69 2.421 2.932 8.361 485 1HB PRO 69 1HB PRO 69 5.080 1.842 7.571 486 2HB PRO 69 2HB PRO 69 3.857 1.157 8.647 487 1HG PRO 69 1HG PRO 69 4.191 0.197 6.186 488 2HG PRO 69 2HG PRO 69 2.571 0.354 6.892 489 1HD PRO 69 1HD PRO 69 3.916 2.043 4.832 490 2HD PRO 69 2HD PRO 69 2.205 1.594 4.985 491 H LYS 70 H LYS 70 4.714 4.484 6.243 492 HA LYS 70 HA LYS 70 5.925 5.878 8.528 493 1HB LYS 70 1HB LYS 70 6.877 5.448 5.700 494 2HB LYS 70 2HB LYS 70 7.645 6.586 6.795 495 1HG LYS 70 1HG LYS 70 7.319 3.651 7.371 496 2HG LYS 70 2HG LYS 70 8.758 4.364 6.642 497 1HD LYS 70 1HD LYS 70 9.371 5.440 8.585 498 2HD LYS 70 2HD LYS 70 7.722 5.474 9.211 499 1HE LYS 70 1HE LYS 70 9.357 3.881 10.339 500 2HE LYS 70 2HE LYS 70 7.799 3.218 9.848 501 1HZ LYS 70 1HZ LYS 70 10.137 3.033 8.059 502 2HZ LYS 70 2HZ LYS 70 9.921 1.909 9.306 503 3HZ LYS 70 3HZ LYS 70 8.749 2.067 8.097 504 H GLN 71 H GLN 71 3.286 6.493 7.352 505 HA GLN 71 HA GLN 71 3.533 8.872 5.797 506 1HB GLN 71 1HB GLN 71 1.332 7.356 7.071 507 2HB GLN 71 2HB GLN 71 1.040 9.069 6.809 508 1HG GLN 71 1HG GLN 71 2.179 7.712 4.493 509 2HG GLN 71 2HG GLN 71 0.610 7.080 4.989 510 2HE2 GLN 71 2HE2 GLN 71 -0.853 7.914 3.680 511 1HE2 GLN 71 1HE2 GLN 71 -0.997 9.582 3.250 512 H ARG 72 H ARG 72 2.681 10.997 6.519 513 HA ARG 72 HA ARG 72 4.126 11.988 8.688 514 1HB ARG 72 1HB ARG 72 1.814 13.085 7.109 515 2HB ARG 72 2HB ARG 72 2.511 13.986 8.449 516 1HG ARG 72 1HG ARG 72 3.852 14.857 6.893 517 2HG ARG 72 2HG ARG 72 4.735 13.335 7.028 518 1HD ARG 72 1HD ARG 72 4.412 13.390 4.768 519 2HD ARG 72 2HD ARG 72 2.943 12.546 5.257 520 HE ARG 72 HE ARG 72 2.207 15.152 5.283 521 1HH1 ARG 72 1HH1 ARG 72 3.724 13.112 2.893 522 2HH1 ARG 72 2HH1 ARG 72 3.049 13.970 1.549 523 1HH2 ARG 72 1HH2 ARG 72 1.317 16.282 3.517 524 2HH2 ARG 72 2HH2 ARG 72 1.682 15.770 1.904 525 HA PRO 73 HA PRO 73 1.440 10.687 12.019 526 1HB PRO 73 1HB PRO 73 2.821 11.791 14.053 527 2HB PRO 73 2HB PRO 73 3.391 10.349 13.204 528 1HG PRO 73 1HG PRO 73 4.226 13.204 12.860 529 2HG PRO 73 2HG PRO 73 5.231 11.744 12.925 530 1HD PRO 73 1HD PRO 73 4.530 12.970 10.595 531 2HD PRO 73 2HD PRO 73 4.839 11.227 10.721 532 H GLY 74 H GLY 74 0.858 12.053 14.247 533 1HA GLY 74 1HA GLY 74 -1.061 13.480 14.553 534 2HA GLY 74 2HA GLY 74 -0.494 14.455 13.205 535 H1 TRP 75 H1 TRP 75 4.993 -0.696 -10.680 536 H2 TRP 75 H2 TRP 75 6.111 0.075 -11.730 537 H3 TRP 75 H3 TRP 75 6.584 -0.349 -10.138 538 HA TRP 75 HA TRP 75 6.205 1.924 -10.135 539 1HB TRP 75 1HB TRP 75 4.841 1.769 -12.281 540 2HB TRP 75 2HB TRP 75 3.455 1.387 -11.264 541 HD1 TRP 75 HD1 TRP 75 2.910 3.380 -9.321 542 HE1 TRP 75 HE1 TRP 75 2.950 5.933 -9.654 543 HE3 TRP 75 HE3 TRP 75 5.846 3.610 -13.501 544 HZ2 TRP 75 HZ2 TRP 75 4.084 7.797 -11.445 545 HZ3 TRP 75 HZ3 TRP 75 6.364 5.816 -14.459 546 HH2 TRP 75 HH2 TRP 75 5.500 7.865 -13.451 547 H ARG 76 H ARG 76 6.372 1.151 -7.945 548 HA ARG 76 HA ARG 76 3.875 1.497 -6.501 549 1HB ARG 76 1HB ARG 76 4.023 -0.532 -5.239 550 2HB ARG 76 2HB ARG 76 4.085 -0.962 -6.942 551 1HG ARG 76 1HG ARG 76 6.577 -0.643 -5.307 552 2HG ARG 76 2HG ARG 76 5.668 -2.152 -5.349 553 1HD ARG 76 1HD ARG 76 6.201 -2.580 -7.531 554 2HD ARG 76 2HD ARG 76 6.399 -0.876 -7.932 555 HE ARG 76 HE ARG 76 8.432 -1.411 -6.191 556 1HH1 ARG 76 1HH1 ARG 76 7.378 -2.764 -9.232 557 2HH1 ARG 76 2HH1 ARG 76 8.972 -3.231 -9.720 558 1HH2 ARG 76 1HH2 ARG 76 10.530 -2.024 -6.832 559 2HH2 ARG 76 2HH2 ARG 76 10.762 -2.813 -8.357 560 H TYR 77 H TYR 77 4.650 0.997 -3.940 561 HA TYR 77 HA TYR 77 7.051 2.698 -3.659 562 1HB TYR 77 1HB TYR 77 4.631 2.583 -1.854 563 2HB TYR 77 2HB TYR 77 6.063 3.562 -1.576 564 HD1 TYR 77 HD1 TYR 77 3.695 2.981 -4.427 565 HD2 TYR 77 HD2 TYR 77 5.787 5.783 -2.011 566 HE1 TYR 77 HE1 TYR 77 2.692 4.825 -5.706 567 HE2 TYR 77 HE2 TYR 77 4.791 7.635 -3.280 568 HH TYR 77 HH TYR 77 2.905 8.095 -4.682 569 H TYR 78 H TYR 78 8.186 2.443 -1.573 570 HA TYR 78 HA TYR 78 8.169 -0.357 -0.709 571 1HB TYR 78 1HB TYR 78 10.407 1.663 -0.838 572 2HB TYR 78 2HB TYR 78 10.542 0.154 0.039 573 HD1 TYR 78 HD1 TYR 78 12.526 0.606 -1.924 574 HD2 TYR 78 HD2 TYR 78 8.582 -0.887 -2.501 575 HE1 TYR 78 HE1 TYR 78 13.264 -0.545 -3.965 576 HE2 TYR 78 HE2 TYR 78 9.312 -2.039 -4.544 577 HH TYR 78 HH TYR 78 12.317 -1.427 -6.029 578 H GLU 79 H GLU 79 9.072 -0.549 1.624 579 HA GLU 79 HA GLU 79 7.307 1.007 3.280 580 1HB GLU 79 1HB GLU 79 8.928 -1.418 3.561 581 2HB GLU 79 2HB GLU 79 8.903 -0.429 5.014 582 1HG GLU 79 1HG GLU 79 6.322 -0.396 4.564 583 2HG GLU 79 2HG GLU 79 6.684 -1.861 3.655 584 H SER 80 H SER 80 10.743 0.916 2.618 585 HA SER 80 HA SER 80 11.539 2.552 4.797 586 1HB SER 80 1HB SER 80 13.686 2.429 3.909 587 2HB SER 80 2HB SER 80 12.946 0.947 3.312 588 HG SER 80 HG SER 80 14.108 2.204 1.709 589 H SER 81 H SER 81 10.287 3.248 1.621 590 HA SER 81 HA SER 81 10.521 6.105 2.234 591 1HB SER 81 1HB SER 81 11.933 4.777 0.186 592 2HB SER 81 2HB SER 81 10.719 5.797 -0.575 593 HG SER 81 HG SER 81 11.680 7.544 0.180 594 H LEU 82 H LEU 82 8.997 7.469 1.232 595 HA LEU 82 HA LEU 82 6.486 6.094 0.614 596 1HB LEU 82 1HB LEU 82 7.222 8.655 1.889 597 2HB LEU 82 2HB LEU 82 5.729 8.620 0.966 598 HG LEU 82 HG LEU 82 5.235 6.477 2.359 599 1HD1 LEU 82 1HD1 LEU 82 7.473 7.757 3.846 600 2HD1 LEU 82 2HD1 LEU 82 6.167 6.971 4.736 601 3HD1 LEU 82 3HD1 LEU 82 7.126 6.047 3.579 602 1HD2 LEU 82 1HD2 LEU 82 4.907 9.328 2.975 603 2HD2 LEU 82 2HD2 LEU 82 3.701 8.059 2.768 604 3HD2 LEU 82 3HD2 LEU 82 4.578 8.203 4.293 605 H GLU 83 H GLU 83 8.889 6.998 -1.197 606 HA GLU 83 HA GLU 83 7.467 8.700 -3.080 607 1HB GLU 83 1HB GLU 83 10.272 7.916 -2.631 608 2HB GLU 83 2HB GLU 83 9.813 8.093 -4.318 609 1HG GLU 83 1HG GLU 83 10.635 10.185 -3.681 610 2HG GLU 83 2HG GLU 83 8.881 10.360 -3.682 611 HA PRO 84 HA PRO 84 6.339 5.425 -5.816 612 1HB PRO 84 1HB PRO 84 6.807 6.961 -8.210 613 2HB PRO 84 2HB PRO 84 5.276 6.664 -7.385 614 1HG PRO 84 1HG PRO 84 6.494 9.121 -7.541 615 2HG PRO 84 2HG PRO 84 5.353 8.651 -6.269 616 1HD PRO 84 1HD PRO 84 8.346 8.734 -6.197 617 2HD PRO 84 2HD PRO 84 7.176 9.199 -4.945 618 H TYR 85 H TYR 85 7.463 3.691 -6.329 619 HA TYR 85 HA TYR 85 10.119 4.006 -7.532 620 1HB TYR 85 1HB TYR 85 8.881 1.926 -5.768 621 2HB TYR 85 2HB TYR 85 10.256 1.507 -6.781 622 HD1 TYR 85 HD1 TYR 85 11.971 1.180 -5.210 623 HD2 TYR 85 HD2 TYR 85 9.612 4.720 -5.001 624 HE1 TYR 85 HE1 TYR 85 13.491 2.087 -3.507 625 HE2 TYR 85 HE2 TYR 85 11.131 5.635 -3.301 626 HH TYR 85 HH TYR 85 12.742 4.868 -1.664 627 HA PRO 86 HA PRO 86 8.298 2.362 -11.273 628 1HB PRO 86 1HB PRO 86 10.563 2.210 -12.738 629 2HB PRO 86 2HB PRO 86 9.760 3.747 -12.393 630 1HG PRO 86 1HG PRO 86 12.138 2.512 -11.057 631 2HG PRO 86 2HG PRO 86 11.882 4.195 -11.552 632 1HD PRO 86 1HD PRO 86 11.560 3.344 -8.993 633 2HD PRO 86 2HD PRO 86 10.626 4.683 -9.687 634 H ASP 87 H ASP 87 8.677 0.481 -12.743 635 HA ASP 87 HA ASP 87 9.170 -1.871 -11.184 636 1HB ASP 87 1HB ASP 87 7.760 -1.230 -13.549 637 2HB ASP 87 2HB ASP 87 8.892 -2.521 -13.923 No H/Q in entry = 637
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