NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11291 | 1r8p | 5952 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 15.056 2.228 -15.456 2 2H MET 1 2H MET 1 15.890 0.797 -15.076 3 3H MET 1 3H MET 1 15.712 2.018 -13.907 4 HA MET 1 HA MET 1 13.821 -0.029 -14.751 5 1HB MET 1 1HB MET 1 14.653 1.546 -12.315 6 2HB MET 1 2HB MET 1 13.200 0.547 -12.286 7 1HG MET 1 1HG MET 1 14.950 -1.207 -13.387 8 2HG MET 1 2HG MET 1 16.051 -0.267 -12.382 9 1HE MET 1 1HE MET 1 16.647 -0.708 -10.500 10 2HE MET 1 2HE MET 1 15.444 -0.016 -9.416 11 3HE MET 1 3HE MET 1 15.953 -1.700 -9.221 12 H THR 2 H THR 2 11.499 0.588 -13.734 13 HA THR 2 HA THR 2 10.605 2.983 -15.243 14 HB THR 2 HB THR 2 8.568 1.419 -13.872 15 HG1 THR 2 HG1 THR 2 9.495 -0.280 -15.674 16 1HG2 THR 2 1HG2 THR 2 7.697 2.389 -15.739 17 2HG2 THR 2 2HG2 THR 2 8.290 0.934 -16.538 18 3HG2 THR 2 3HG2 THR 2 9.252 2.411 -16.572 19 HA PRO 3 HA PRO 3 10.509 5.155 -11.355 20 1HB PRO 3 1HB PRO 3 9.433 7.479 -12.310 21 2HB PRO 3 2HB PRO 3 11.147 7.061 -12.506 22 1HG PRO 3 1HG PRO 3 8.915 6.853 -14.459 23 2HG PRO 3 2HG PRO 3 10.599 7.335 -14.715 24 1HD PRO 3 1HD PRO 3 9.628 4.864 -15.338 25 2HD PRO 3 2HD PRO 3 11.323 5.178 -14.915 26 H ILE 4 H ILE 4 8.822 5.552 -9.848 27 HA ILE 4 HA ILE 4 6.013 5.438 -10.845 28 HB ILE 4 HB ILE 4 5.545 3.635 -9.227 29 1HG1 ILE 4 1HG1 ILE 4 8.074 2.668 -8.544 30 2HG1 ILE 4 2HG1 ILE 4 8.198 4.411 -8.293 31 1HG2 ILE 4 1HG2 ILE 4 7.966 2.931 -10.910 32 2HG2 ILE 4 2HG2 ILE 4 6.339 3.118 -11.566 33 3HG2 ILE 4 3HG2 ILE 4 6.676 1.844 -10.393 34 1HD1 ILE 4 1HD1 ILE 4 6.639 4.420 -6.605 35 2HD1 ILE 4 2HD1 ILE 4 7.206 2.761 -6.415 36 3HD1 ILE 4 3HD1 ILE 4 5.721 3.088 -7.307 37 H VAL 5 H VAL 5 5.066 7.224 -9.934 38 HA VAL 5 HA VAL 5 6.093 8.281 -7.357 39 HB VAL 5 HB VAL 5 4.032 9.306 -9.340 40 1HG1 VAL 5 1HG1 VAL 5 4.884 10.189 -6.697 41 2HG1 VAL 5 2HG1 VAL 5 3.545 10.767 -7.690 42 3HG1 VAL 5 3HG1 VAL 5 5.164 11.429 -7.920 43 1HG2 VAL 5 1HG2 VAL 5 6.925 10.128 -8.935 44 2HG2 VAL 5 2HG2 VAL 5 5.816 10.747 -10.157 45 3HG2 VAL 5 3HG2 VAL 5 6.366 9.074 -10.235 46 H HIS 6 H HIS 6 4.643 8.645 -5.561 47 HA HIS 6 HA HIS 6 2.031 7.185 -5.694 48 1HB HIS 6 1HB HIS 6 4.401 6.352 -4.429 49 2HB HIS 6 2HB HIS 6 3.380 6.965 -3.127 50 HD1 HIS 6 HD1 HIS 6 2.115 5.066 -2.143 51 HD2 HIS 6 HD2 HIS 6 2.411 4.712 -6.286 52 HE1 HIS 6 HE1 HIS 6 0.810 2.991 -2.779 53 H LEU 7 H LEU 7 0.487 8.690 -5.197 54 HA LEU 7 HA LEU 7 1.193 10.862 -3.253 55 1HB LEU 7 1HB LEU 7 -0.952 10.761 -5.399 56 2HB LEU 7 2HB LEU 7 -0.460 12.179 -4.471 57 HG LEU 7 HG LEU 7 1.882 11.038 -5.647 58 1HD1 LEU 7 1HD1 LEU 7 0.078 11.874 -7.858 59 2HD1 LEU 7 2HD1 LEU 7 -0.189 10.261 -7.200 60 3HD1 LEU 7 3HD1 LEU 7 1.388 10.693 -7.859 61 1HD2 LEU 7 1HD2 LEU 7 2.290 13.244 -5.950 62 2HD2 LEU 7 2HD2 LEU 7 0.745 13.532 -5.149 63 3HD2 LEU 7 3HD2 LEU 7 0.825 13.455 -6.909 64 H LYS 8 H LYS 8 -0.318 11.314 -1.579 65 HA LYS 8 HA LYS 8 -2.695 9.523 -1.356 66 1HB LYS 8 1HB LYS 8 -0.828 8.422 -0.213 67 2HB LYS 8 2HB LYS 8 -0.484 9.898 0.691 68 1HG LYS 8 1HG LYS 8 -2.690 9.782 1.763 69 2HG LYS 8 2HG LYS 8 -3.075 8.331 0.838 70 1HD LYS 8 1HD LYS 8 -0.907 7.353 1.880 71 2HD LYS 8 2HD LYS 8 -1.055 8.670 3.046 72 1HE LYS 8 1HE LYS 8 -3.638 7.451 2.739 73 2HE LYS 8 2HE LYS 8 -2.443 6.182 3.073 74 1HZ LYS 8 1HZ LYS 8 -1.660 7.337 4.956 75 2HZ LYS 8 2HZ LYS 8 -3.354 7.368 5.083 76 3HZ LYS 8 3HZ LYS 8 -2.513 8.747 4.556 77 H GLY 9 H GLY 9 -4.116 10.283 0.510 78 1HA GLY 9 1HA GLY 9 -4.050 12.493 2.052 79 2HA GLY 9 2HA GLY 9 -4.249 13.231 0.462 80 H ASP 10 H ASP 10 -6.357 14.010 1.180 81 HA ASP 10 HA ASP 10 -8.469 12.287 2.077 82 1HB ASP 10 1HB ASP 10 -8.192 15.012 0.848 83 2HB ASP 10 2HB ASP 10 -9.804 14.320 1.034 84 H ALA 11 H ALA 11 -9.646 10.815 0.912 85 HA ALA 11 HA ALA 11 -9.164 10.034 -1.733 86 1HB ALA 11 1HB ALA 11 -10.457 8.582 -0.442 87 2HB ALA 11 2HB ALA 11 -11.477 9.881 0.175 88 3HB ALA 11 3HB ALA 11 -11.698 9.294 -1.473 89 H ASN 12 H ASN 12 -11.100 12.719 -0.553 90 HA ASN 12 HA ASN 12 -12.498 13.194 -3.070 91 1HB ASN 12 1HB ASN 12 -11.999 15.030 -0.707 92 2HB ASN 12 2HB ASN 12 -13.311 15.150 -1.881 93 1HD2 ASN 12 1HD2 ASN 12 -12.552 13.943 1.189 94 2HD2 ASN 12 2HD2 ASN 12 -13.814 12.818 1.336 95 H THR 13 H THR 13 -9.733 14.728 -1.386 96 HA THR 13 HA THR 13 -9.197 16.777 -3.275 97 HB THR 13 HB THR 13 -7.224 15.150 -1.641 98 HG1 THR 13 HG1 THR 13 -8.540 17.497 -0.810 99 1HG2 THR 13 1HG2 THR 13 -6.172 17.504 -1.494 100 2HG2 THR 13 2HG2 THR 13 -7.221 17.911 -2.852 101 3HG2 THR 13 3HG2 THR 13 -6.012 16.638 -3.022 102 H LEU 14 H LEU 14 -8.681 13.339 -3.455 103 HA LEU 14 HA LEU 14 -6.627 13.402 -5.522 104 1HB LEU 14 1HB LEU 14 -8.513 11.341 -4.362 105 2HB LEU 14 2HB LEU 14 -7.384 10.944 -5.660 106 HG LEU 14 HG LEU 14 -6.663 12.049 -2.930 107 1HD1 LEU 14 1HD1 LEU 14 -5.309 9.648 -3.511 108 2HD1 LEU 14 2HD1 LEU 14 -6.981 9.379 -4.003 109 3HD1 LEU 14 3HD1 LEU 14 -6.617 9.873 -2.351 110 1HD2 LEU 14 1HD2 LEU 14 -4.298 11.486 -3.869 111 2HD2 LEU 14 2HD2 LEU 14 -5.068 12.984 -4.394 112 3HD2 LEU 14 3HD2 LEU 14 -5.076 11.570 -5.450 113 H LYS 15 H LYS 15 -10.154 13.351 -5.459 114 HA LYS 15 HA LYS 15 -10.679 12.512 -8.128 115 1HB LYS 15 1HB LYS 15 -12.252 12.870 -6.153 116 2HB LYS 15 2HB LYS 15 -12.190 14.593 -6.527 117 1HG LYS 15 1HG LYS 15 -12.963 14.077 -8.846 118 2HG LYS 15 2HG LYS 15 -13.131 12.384 -8.381 119 1HD LYS 15 1HD LYS 15 -14.456 14.392 -6.627 120 2HD LYS 15 2HD LYS 15 -15.174 14.125 -8.216 121 1HE LYS 15 1HE LYS 15 -15.314 11.703 -7.770 122 2HE LYS 15 2HE LYS 15 -14.569 11.951 -6.179 123 1HZ LYS 15 1HZ LYS 15 -16.673 13.801 -6.569 124 2HZ LYS 15 2HZ LYS 15 -16.505 12.623 -5.356 125 3HZ LYS 15 3HZ LYS 15 -17.254 12.228 -6.828 126 H CYS 16 H CYS 16 -9.953 15.746 -6.812 127 HA CYS 16 HA CYS 16 -10.400 17.178 -9.277 128 1HB CYS 16 1HB CYS 16 -10.449 18.260 -7.109 129 2HB CYS 16 2HB CYS 16 -8.798 17.741 -6.766 130 HG CYS 16 HG CYS 16 -8.044 19.307 -8.817 131 H LEU 17 H LEU 17 -7.476 15.791 -7.767 132 HA LEU 17 HA LEU 17 -5.536 16.826 -9.562 133 1HB LEU 17 1HB LEU 17 -5.680 14.148 -8.137 134 2HB LEU 17 2HB LEU 17 -4.207 14.900 -8.750 135 HG LEU 17 HG LEU 17 -5.977 16.422 -6.859 136 1HD1 LEU 17 1HD1 LEU 17 -5.560 15.018 -5.153 137 2HD1 LEU 17 2HD1 LEU 17 -3.827 15.203 -5.428 138 3HD1 LEU 17 3HD1 LEU 17 -4.719 13.925 -6.253 139 1HD2 LEU 17 1HD2 LEU 17 -3.763 17.403 -6.241 140 2HD2 LEU 17 2HD2 LEU 17 -4.141 17.610 -7.951 141 3HD2 LEU 17 3HD2 LEU 17 -2.999 16.364 -7.445 142 H ARG 18 H ARG 18 -7.305 13.708 -9.727 143 HA ARG 18 HA ARG 18 -6.256 12.571 -12.014 144 1HB ARG 18 1HB ARG 18 -8.230 11.947 -10.411 145 2HB ARG 18 2HB ARG 18 -9.234 12.762 -11.609 146 1HG ARG 18 1HG ARG 18 -8.161 11.291 -13.368 147 2HG ARG 18 2HG ARG 18 -7.421 10.379 -12.052 148 1HD ARG 18 1HD ARG 18 -9.757 10.040 -11.103 149 2HD ARG 18 2HD ARG 18 -10.383 10.705 -12.625 150 HE ARG 18 HE ARG 18 -9.012 8.118 -12.315 151 1HH1 ARG 18 1HH1 ARG 18 -11.424 9.247 -14.060 152 2HH1 ARG 18 2HH1 ARG 18 -10.782 8.922 -15.637 153 1HH2 ARG 18 1HH2 ARG 18 -7.568 8.306 -14.493 154 2HH2 ARG 18 2HH2 ARG 18 -8.600 8.391 -15.880 155 H TYR 19 H TYR 19 -8.594 15.267 -11.890 156 HA TYR 19 HA TYR 19 -9.137 15.378 -14.702 157 1HB TYR 19 1HB TYR 19 -10.474 16.466 -12.938 158 2HB TYR 19 2HB TYR 19 -9.123 17.539 -12.571 159 HD1 TYR 19 HD1 TYR 19 -11.539 16.560 -15.229 160 HD2 TYR 19 HD2 TYR 19 -8.684 19.476 -13.889 161 HE1 TYR 19 HE1 TYR 19 -12.273 18.102 -17.029 162 HE2 TYR 19 HE2 TYR 19 -9.417 21.019 -15.688 163 HH TYR 19 HH TYR 19 -11.507 19.992 -18.252 164 H ARG 20 H ARG 20 -6.671 17.013 -12.697 165 HA ARG 20 HA ARG 20 -5.564 18.707 -14.687 166 1HB ARG 20 1HB ARG 20 -4.458 17.261 -12.269 167 2HB ARG 20 2HB ARG 20 -3.481 18.396 -13.203 168 1HG ARG 20 1HG ARG 20 -5.286 20.118 -12.867 169 2HG ARG 20 2HG ARG 20 -6.088 18.986 -11.778 170 1HD ARG 20 1HD ARG 20 -3.559 18.950 -10.745 171 2HD ARG 20 2HD ARG 20 -3.665 20.626 -11.321 172 HE ARG 20 HE ARG 20 -6.094 19.806 -9.962 173 1HH1 ARG 20 1HH1 ARG 20 -2.789 20.549 -9.373 174 2HH1 ARG 20 2HH1 ARG 20 -3.105 21.428 -7.914 175 1HH2 ARG 20 1HH2 ARG 20 -6.549 21.093 -8.147 176 2HH2 ARG 20 2HH2 ARG 20 -5.234 21.736 -7.220 177 H PHE 21 H PHE 21 -4.982 15.277 -13.977 178 HA PHE 21 HA PHE 21 -2.742 14.917 -15.746 179 1HB PHE 21 1HB PHE 21 -4.862 12.906 -14.936 180 2HB PHE 21 2HB PHE 21 -3.178 12.577 -15.341 181 HD1 PHE 21 HD1 PHE 21 -2.229 15.211 -13.843 182 HD2 PHE 21 HD2 PHE 21 -4.616 11.816 -12.728 183 HE1 PHE 21 HE1 PHE 21 -1.590 15.541 -11.468 184 HE2 PHE 21 HE2 PHE 21 -3.978 12.147 -10.354 185 HZ PHE 21 HZ PHE 21 -2.464 14.009 -9.724 186 H LYS 22 H LYS 22 -6.137 15.299 -16.316 187 HA LYS 22 HA LYS 22 -6.443 13.824 -18.749 188 1HB LYS 22 1HB LYS 22 -7.742 16.369 -17.717 189 2HB LYS 22 2HB LYS 22 -8.375 15.387 -19.039 190 1HG LYS 22 1HG LYS 22 -7.892 14.382 -16.219 191 2HG LYS 22 2HG LYS 22 -9.464 14.854 -16.862 192 1HD LYS 22 1HD LYS 22 -8.889 13.152 -18.775 193 2HD LYS 22 2HD LYS 22 -7.754 12.494 -17.596 194 1HE LYS 22 1HE LYS 22 -9.432 11.720 -16.212 195 2HE LYS 22 2HE LYS 22 -10.538 13.038 -16.648 196 1HZ LYS 22 1HZ LYS 22 -10.215 11.866 -19.010 197 2HZ LYS 22 2HZ LYS 22 -11.464 11.449 -17.937 198 3HZ LYS 22 3HZ LYS 22 -10.049 10.510 -18.004 199 H LYS 23 H LYS 23 -5.618 17.270 -18.193 200 HA LYS 23 HA LYS 23 -5.181 17.809 -21.020 201 1HB LYS 23 1HB LYS 23 -4.467 19.236 -18.437 202 2HB LYS 23 2HB LYS 23 -4.245 19.942 -20.039 203 1HG LYS 23 1HG LYS 23 -6.915 18.864 -19.117 204 2HG LYS 23 2HG LYS 23 -6.430 20.536 -18.834 205 1HD LYS 23 1HD LYS 23 -5.827 20.326 -21.464 206 2HD LYS 23 2HD LYS 23 -7.169 19.185 -21.372 207 1HE LYS 23 1HE LYS 23 -7.904 21.491 -19.850 208 2HE LYS 23 2HE LYS 23 -7.308 22.042 -21.427 209 1HZ LYS 23 1HZ LYS 23 -8.971 19.649 -21.412 210 2HZ LYS 23 2HZ LYS 23 -8.905 20.916 -22.541 211 3HZ LYS 23 3HZ LYS 23 -9.763 21.114 -21.089 212 H HIS 24 H HIS 24 -3.260 16.590 -18.375 213 HA HIS 24 HA HIS 24 -0.711 17.012 -19.841 214 1HB HIS 24 1HB HIS 24 -1.330 15.764 -17.141 215 2HB HIS 24 2HB HIS 24 0.263 16.253 -17.722 216 HD1 HIS 24 HD1 HIS 24 -0.735 17.571 -15.176 217 HD2 HIS 24 HD2 HIS 24 -1.508 19.134 -18.962 218 HE1 HIS 24 HE1 HIS 24 -1.222 20.035 -14.849 219 H CYS 25 H CYS 25 -2.752 15.139 -20.904 220 HA CYS 25 HA CYS 25 -2.259 12.418 -20.300 221 1HB CYS 25 1HB CYS 25 -3.261 12.033 -22.476 222 2HB CYS 25 2HB CYS 25 -4.040 13.448 -21.767 223 HG CYS 25 HG CYS 25 -3.381 14.511 -23.924 224 H THR 26 H THR 26 -0.322 14.737 -22.060 225 HA THR 26 HA THR 26 1.465 12.607 -23.122 226 HB THR 26 HB THR 26 0.624 14.585 -24.468 227 HG1 THR 26 HG1 THR 26 3.421 14.388 -24.040 228 1HG2 THR 26 1HG2 THR 26 2.654 16.315 -23.166 229 2HG2 THR 26 2HG2 THR 26 1.167 16.042 -22.257 230 3HG2 THR 26 3HG2 THR 26 1.096 16.742 -23.874 231 H LEU 27 H LEU 27 1.620 12.556 -20.406 232 HA LEU 27 HA LEU 27 4.311 13.715 -19.890 233 1HB LEU 27 1HB LEU 27 1.715 14.415 -18.596 234 2HB LEU 27 2HB LEU 27 3.134 14.318 -17.554 235 HG LEU 27 HG LEU 27 2.987 15.956 -20.102 236 1HD1 LEU 27 1HD1 LEU 27 3.198 17.811 -18.210 237 2HD1 LEU 27 2HD1 LEU 27 2.406 16.577 -17.231 238 3HD1 LEU 27 3HD1 LEU 27 1.621 17.184 -18.688 239 1HD2 LEU 27 1HD2 LEU 27 5.165 15.034 -18.509 240 2HD2 LEU 27 2HD2 LEU 27 4.999 16.766 -18.221 241 3HD2 LEU 27 3HD2 LEU 27 5.218 16.162 -19.864 242 H TYR 28 H TYR 28 1.701 11.495 -18.917 243 HA TYR 28 HA TYR 28 3.656 10.010 -17.208 244 1HB TYR 28 1HB TYR 28 1.542 9.020 -16.275 245 2HB TYR 28 2HB TYR 28 1.620 10.774 -16.101 246 HD1 TYR 28 HD1 TYR 28 -0.168 12.074 -16.856 247 HD2 TYR 28 HD2 TYR 28 0.420 8.147 -18.495 248 HE1 TYR 28 HE1 TYR 28 -2.274 12.300 -18.148 249 HE2 TYR 28 HE2 TYR 28 -1.686 8.370 -19.787 250 HH TYR 28 HH TYR 28 -3.979 10.006 -19.297 251 H THR 29 H THR 29 3.358 7.559 -17.325 252 HA THR 29 HA THR 29 3.093 6.750 -20.180 253 HB THR 29 HB THR 29 4.201 5.222 -17.811 254 HG1 THR 29 HG1 THR 29 6.191 6.083 -18.437 255 1HG2 THR 29 1HG2 THR 29 3.777 3.852 -19.772 256 2HG2 THR 29 2HG2 THR 29 5.517 4.105 -19.621 257 3HG2 THR 29 3HG2 THR 29 4.591 5.024 -20.808 258 H ALA 30 H ALA 30 1.853 5.964 -16.935 259 HA ALA 30 HA ALA 30 -0.549 4.761 -18.137 260 1HB ALA 30 1HB ALA 30 -0.136 2.546 -17.209 261 2HB ALA 30 2HB ALA 30 1.242 3.006 -18.209 262 3HB ALA 30 3HB ALA 30 1.355 3.108 -16.452 263 H VAL 31 H VAL 31 -2.144 5.586 -16.846 264 HA VAL 31 HA VAL 31 -1.567 6.290 -14.028 265 HB VAL 31 HB VAL 31 -2.816 7.726 -15.726 266 1HG1 VAL 31 1HG1 VAL 31 -5.153 5.914 -15.126 267 2HG1 VAL 31 2HG1 VAL 31 -4.126 5.635 -16.532 268 3HG1 VAL 31 3HG1 VAL 31 -5.013 7.151 -16.376 269 1HG2 VAL 31 1HG2 VAL 31 -2.962 7.931 -13.187 270 2HG2 VAL 31 2HG2 VAL 31 -4.463 7.010 -13.287 271 3HG2 VAL 31 3HG2 VAL 31 -4.339 8.580 -14.079 272 H SER 32 H SER 32 -2.338 5.086 -12.289 273 HA SER 32 HA SER 32 -3.736 2.538 -12.921 274 1HB SER 32 1HB SER 32 -3.093 2.083 -10.509 275 2HB SER 32 2HB SER 32 -1.732 2.400 -11.581 276 HG SER 32 HG SER 32 -3.000 4.190 -9.779 277 H SER 33 H SER 33 -5.714 1.974 -11.879 278 HA SER 33 HA SER 33 -7.630 4.049 -11.479 279 1HB SER 33 1HB SER 33 -7.544 1.279 -11.717 280 2HB SER 33 2HB SER 33 -8.153 1.525 -10.084 281 HG SER 33 HG SER 33 -9.404 3.274 -11.542 282 H THR 34 H THR 34 -8.765 4.541 -9.408 283 HA THR 34 HA THR 34 -6.941 5.245 -7.291 284 HB THR 34 HB THR 34 -9.955 5.016 -7.135 285 HG1 THR 34 HG1 THR 34 -10.063 6.430 -8.659 286 1HG2 THR 34 1HG2 THR 34 -8.805 5.676 -5.076 287 2HG2 THR 34 2HG2 THR 34 -9.682 7.053 -5.743 288 3HG2 THR 34 3HG2 THR 34 -7.935 6.938 -5.948 289 H TRP 35 H TRP 35 -6.249 3.978 -5.611 290 HA TRP 35 HA TRP 35 -7.978 1.760 -4.642 291 1HB TRP 35 1HB TRP 35 -6.217 0.144 -4.945 292 2HB TRP 35 2HB TRP 35 -6.377 1.005 -6.476 293 HD1 TRP 35 HD1 TRP 35 -4.515 2.866 -7.041 294 HE1 TRP 35 HE1 TRP 35 -2.068 3.091 -6.258 295 HE3 TRP 35 HE3 TRP 35 -4.588 -0.262 -3.005 296 HZ2 TRP 35 HZ2 TRP 35 -0.367 2.076 -4.194 297 HZ3 TRP 35 HZ3 TRP 35 -2.543 -0.617 -1.650 298 HH2 TRP 35 HH2 TRP 35 -0.436 0.547 -2.240 299 H HIS 36 H HIS 36 -6.642 0.716 -2.650 300 HA HIS 36 HA HIS 36 -4.929 2.639 -1.233 301 1HB HIS 36 1HB HIS 36 -7.060 3.684 -0.886 302 2HB HIS 36 2HB HIS 36 -7.830 2.139 -0.525 303 HD1 HIS 36 HD1 HIS 36 -7.584 1.208 1.845 304 HD2 HIS 36 HD2 HIS 36 -5.375 4.689 1.230 305 HE1 HIS 36 HE1 HIS 36 -6.757 1.944 4.124 306 H TRP 37 H TRP 37 -4.588 1.800 1.106 307 HA TRP 37 HA TRP 37 -3.926 -1.047 0.988 308 1HB TRP 37 1HB TRP 37 -3.756 1.100 3.126 309 2HB TRP 37 2HB TRP 37 -3.089 -0.521 3.314 310 HD1 TRP 37 HD1 TRP 37 -1.984 2.763 2.435 311 HE1 TRP 37 HE1 TRP 37 0.124 2.723 0.954 312 HE3 TRP 37 HE3 TRP 37 -2.039 -2.126 0.956 313 HZ2 TRP 37 HZ2 TRP 37 1.594 0.863 -0.647 314 HZ3 TRP 37 HZ3 TRP 37 -0.275 -3.004 -0.546 315 HH2 TRP 37 HH2 TRP 37 1.540 -1.516 -1.349 316 H THR 38 H THR 38 -5.970 -2.144 0.913 317 HA THR 38 HA THR 38 -8.109 -1.604 2.801 318 HB THR 38 HB THR 38 -8.322 -2.601 0.508 319 HG1 THR 38 HG1 THR 38 -9.981 -3.816 1.131 320 1HG2 THR 38 1HG2 THR 38 -7.163 -5.068 1.833 321 2HG2 THR 38 2HG2 THR 38 -6.283 -4.039 0.701 322 3HG2 THR 38 3HG2 THR 38 -7.708 -4.929 0.162 323 H GLY 39 H GLY 39 -8.798 -3.088 4.505 324 1HA GLY 39 1HA GLY 39 -7.158 -5.293 5.380 325 2HA GLY 39 2HA GLY 39 -6.831 -3.854 6.348 326 H HIS 40 H HIS 40 -7.955 -6.095 7.564 327 HA HIS 40 HA HIS 40 -10.767 -6.280 7.672 328 1HB HIS 40 1HB HIS 40 -8.862 -7.629 8.805 329 2HB HIS 40 2HB HIS 40 -8.958 -6.422 10.087 330 HD1 HIS 40 HD1 HIS 40 -10.119 -9.639 9.573 331 HD2 HIS 40 HD2 HIS 40 -12.102 -6.115 10.588 332 HE1 HIS 40 HE1 HIS 40 -12.308 -10.332 10.642 333 H ASN 41 H ASN 41 -8.592 -4.124 9.515 334 HA ASN 41 HA ASN 41 -10.995 -2.538 10.354 335 1HB ASN 41 1HB ASN 41 -8.347 -3.252 11.567 336 2HB ASN 41 2HB ASN 41 -9.094 -1.724 12.036 337 1HD2 ASN 41 1HD2 ASN 41 -9.466 -5.245 12.164 338 2HD2 ASN 41 2HD2 ASN 41 -10.736 -5.246 13.290 339 H VAL 42 H VAL 42 -11.195 -0.775 9.013 340 HA VAL 42 HA VAL 42 -8.753 0.463 7.845 341 HB VAL 42 HB VAL 42 -11.493 1.479 7.262 342 1HG1 VAL 42 1HG1 VAL 42 -10.585 1.905 5.190 343 2HG1 VAL 42 2HG1 VAL 42 -9.589 0.450 5.211 344 3HG1 VAL 42 3HG1 VAL 42 -9.094 1.870 6.131 345 1HG2 VAL 42 1HG2 VAL 42 -12.157 -0.788 7.345 346 2HG2 VAL 42 2HG2 VAL 42 -10.604 -1.358 6.737 347 3HG2 VAL 42 3HG2 VAL 42 -11.733 -0.550 5.650 348 H LYS 43 H LYS 43 -9.557 3.091 7.577 349 HA LYS 43 HA LYS 43 -10.060 4.013 10.387 350 1HB LYS 43 1HB LYS 43 -7.647 4.022 9.737 351 2HB LYS 43 2HB LYS 43 -8.041 5.098 8.396 352 1HG LYS 43 1HG LYS 43 -8.533 6.891 9.802 353 2HG LYS 43 2HG LYS 43 -8.894 5.846 11.176 354 1HD LYS 43 1HD LYS 43 -6.531 5.302 11.438 355 2HD LYS 43 2HD LYS 43 -6.128 6.228 9.992 356 1HE LYS 43 1HE LYS 43 -7.595 8.014 11.599 357 2HE LYS 43 2HE LYS 43 -6.487 7.184 12.709 358 1HZ LYS 43 1HZ LYS 43 -5.092 8.759 11.838 359 2HZ LYS 43 2HZ LYS 43 -5.873 8.792 10.330 360 3HZ LYS 43 3HZ LYS 43 -4.838 7.504 10.726 361 H HIS 44 H HIS 44 -9.510 5.559 7.202 362 HA HIS 44 HA HIS 44 -12.279 6.599 7.179 363 1HB HIS 44 1HB HIS 44 -10.104 7.997 8.353 364 2HB HIS 44 2HB HIS 44 -10.463 8.811 6.830 365 HD1 HIS 44 HD1 HIS 44 -13.364 8.864 6.544 366 HD2 HIS 44 HD2 HIS 44 -11.627 9.167 10.322 367 HE1 HIS 44 HE1 HIS 44 -15.103 9.925 8.049 368 H LYS 45 H LYS 45 -11.755 8.661 5.276 369 HA LYS 45 HA LYS 45 -11.342 7.030 2.869 370 1HB LYS 45 1HB LYS 45 -12.479 9.609 3.676 371 2HB LYS 45 2HB LYS 45 -11.617 9.698 2.140 372 1HG LYS 45 1HG LYS 45 -12.917 7.545 1.519 373 2HG LYS 45 2HG LYS 45 -13.967 7.958 2.874 374 1HD LYS 45 1HD LYS 45 -14.317 10.215 1.858 375 2HD LYS 45 2HD LYS 45 -13.375 9.694 0.460 376 1HE LYS 45 1HE LYS 45 -15.070 8.379 -0.352 377 2HE LYS 45 2HE LYS 45 -15.588 7.879 1.270 378 1HZ LYS 45 1HZ LYS 45 -17.093 9.500 0.040 379 2HZ LYS 45 2HZ LYS 45 -15.892 10.668 0.328 380 3HZ LYS 45 3HZ LYS 45 -16.670 9.904 1.632 381 H SER 46 H SER 46 -9.237 6.622 2.281 382 HA SER 46 HA SER 46 -7.358 8.940 2.137 383 1HB SER 46 1HB SER 46 -5.615 7.431 3.129 384 2HB SER 46 2HB SER 46 -6.934 7.780 4.242 385 HG SER 46 HG SER 46 -7.758 5.779 3.894 386 H ALA 47 H ALA 47 -8.911 7.379 0.120 387 HA ALA 47 HA ALA 47 -7.729 5.407 -1.338 388 1HB ALA 47 1HB ALA 47 -8.604 6.587 -3.324 389 2HB ALA 47 2HB ALA 47 -9.725 6.735 -1.969 390 3HB ALA 47 3HB ALA 47 -8.679 8.088 -2.401 391 H ILE 48 H ILE 48 -6.041 5.268 -2.930 392 HA ILE 48 HA ILE 48 -4.116 7.547 -3.060 393 HB ILE 48 HB ILE 48 -3.377 4.671 -2.441 394 1HG1 ILE 48 1HG1 ILE 48 -3.532 7.035 -0.544 395 2HG1 ILE 48 2HG1 ILE 48 -4.727 5.739 -0.617 396 1HG2 ILE 48 1HG2 ILE 48 -1.186 5.443 -2.184 397 2HG2 ILE 48 2HG2 ILE 48 -1.699 7.110 -1.917 398 3HG2 ILE 48 3HG2 ILE 48 -1.752 6.419 -3.538 399 1HD1 ILE 48 1HD1 ILE 48 -3.181 4.114 0.136 400 2HD1 ILE 48 2HD1 ILE 48 -2.853 5.521 1.147 401 3HD1 ILE 48 3HD1 ILE 48 -1.796 5.147 -0.214 402 H VAL 49 H VAL 49 -2.932 7.580 -5.028 403 HA VAL 49 HA VAL 49 -3.615 5.423 -6.996 404 HB VAL 49 HB VAL 49 -4.693 7.860 -7.047 405 1HG1 VAL 49 1HG1 VAL 49 -2.363 8.386 -8.854 406 2HG1 VAL 49 2HG1 VAL 49 -2.182 8.717 -7.132 407 3HG1 VAL 49 3HG1 VAL 49 -3.443 9.531 -8.059 408 1HG2 VAL 49 1HG2 VAL 49 -4.946 5.970 -8.710 409 2HG2 VAL 49 2HG2 VAL 49 -3.554 6.628 -9.570 410 3HG2 VAL 49 3HG2 VAL 49 -5.029 7.582 -9.418 411 H THR 50 H THR 50 -2.014 5.732 -8.993 412 HA THR 50 HA THR 50 0.714 6.520 -8.088 413 HB THR 50 HB THR 50 -0.152 3.781 -9.071 414 HG1 THR 50 HG1 THR 50 -0.493 4.286 -6.843 415 1HG2 THR 50 1HG2 THR 50 2.626 4.353 -8.150 416 2HG2 THR 50 2HG2 THR 50 2.179 4.889 -9.770 417 3HG2 THR 50 3HG2 THR 50 2.055 3.183 -9.340 418 H LEU 51 H LEU 51 2.136 6.953 -9.887 419 HA LEU 51 HA LEU 51 0.893 6.780 -12.604 420 1HB LEU 51 1HB LEU 51 1.680 9.112 -10.974 421 2HB LEU 51 2HB LEU 51 2.289 9.150 -12.629 422 HG LEU 51 HG LEU 51 -0.527 8.303 -12.386 423 1HD1 LEU 51 1HD1 LEU 51 -1.026 9.940 -10.870 424 2HD1 LEU 51 2HD1 LEU 51 -0.927 10.988 -12.284 425 3HD1 LEU 51 3HD1 LEU 51 0.457 10.837 -11.200 426 1HD2 LEU 51 1HD2 LEU 51 0.634 10.566 -14.010 427 2HD2 LEU 51 2HD2 LEU 51 -0.740 9.529 -14.395 428 3HD2 LEU 51 3HD2 LEU 51 0.900 8.886 -14.475 429 H THR 52 H THR 52 2.314 5.887 -14.044 430 HA THR 52 HA THR 52 5.156 5.548 -13.216 431 HB THR 52 HB THR 52 3.696 4.362 -15.587 432 HG1 THR 52 HG1 THR 52 2.549 3.946 -13.658 433 1HG2 THR 52 1HG2 THR 52 5.903 3.169 -13.911 434 2HG2 THR 52 2HG2 THR 52 6.247 4.223 -15.283 435 3HG2 THR 52 3HG2 THR 52 5.388 2.703 -15.533 436 H TYR 53 H TYR 53 6.804 6.615 -14.271 437 HA TYR 53 HA TYR 53 6.066 8.293 -16.644 438 1HB TYR 53 1HB TYR 53 8.089 8.571 -14.407 439 2HB TYR 53 2HB TYR 53 8.104 9.610 -15.832 440 HD1 TYR 53 HD1 TYR 53 5.937 8.445 -13.023 441 HD2 TYR 53 HD2 TYR 53 6.640 11.461 -16.001 442 HE1 TYR 53 HE1 TYR 53 4.162 9.853 -12.015 443 HE2 TYR 53 HE2 TYR 53 4.863 12.870 -14.993 444 HH TYR 53 HH TYR 53 2.586 12.046 -13.337 445 H ASP 54 H ASP 54 7.567 8.326 -18.417 446 HA ASP 54 HA ASP 54 8.981 5.822 -18.869 447 1HB ASP 54 1HB ASP 54 8.189 8.269 -20.313 448 2HB ASP 54 2HB ASP 54 9.686 7.539 -20.893 449 H SER 55 H SER 55 9.854 8.718 -17.307 450 HA SER 55 HA SER 55 12.629 7.874 -17.036 451 1HB SER 55 1HB SER 55 13.641 9.539 -18.406 452 2HB SER 55 2HB SER 55 12.335 8.884 -19.389 453 HG SER 55 HG SER 55 11.881 10.963 -19.505 454 H GLU 56 H GLU 56 13.835 9.380 -15.613 455 HA GLU 56 HA GLU 56 12.200 10.503 -13.521 456 1HB GLU 56 1HB GLU 56 15.064 10.213 -14.244 457 2HB GLU 56 2HB GLU 56 14.691 11.526 -13.127 458 1HG GLU 56 1HG GLU 56 13.215 9.637 -11.963 459 2HG GLU 56 2HG GLU 56 14.383 8.577 -12.753 460 H TRP 57 H TRP 57 14.095 11.954 -16.179 461 HA TRP 57 HA TRP 57 13.815 14.686 -15.547 462 1HB TRP 57 1HB TRP 57 15.208 13.939 -17.356 463 2HB TRP 57 2HB TRP 57 13.852 13.141 -18.155 464 HD1 TRP 57 HD1 TRP 57 12.434 14.533 -19.783 465 HE1 TRP 57 HE1 TRP 57 12.442 16.998 -20.542 466 HE3 TRP 57 HE3 TRP 57 15.744 16.481 -16.416 467 HZ2 TRP 57 HZ2 TRP 57 13.688 19.470 -19.814 468 HZ3 TRP 57 HZ3 TRP 57 16.324 18.889 -16.470 469 HH2 TRP 57 HH2 TRP 57 15.302 20.385 -18.163 470 H GLN 58 H GLN 58 11.644 12.685 -17.582 471 HA GLN 58 HA GLN 58 9.636 14.650 -18.019 472 1HB GLN 58 1HB GLN 58 9.918 12.445 -19.168 473 2HB GLN 58 2HB GLN 58 9.371 11.641 -17.697 474 1HG GLN 58 1HG GLN 58 7.199 12.674 -17.848 475 2HG GLN 58 2HG GLN 58 7.732 13.726 -19.160 476 1HE2 GLN 58 1HE2 GLN 58 5.609 12.378 -19.980 477 2HE2 GLN 58 2HE2 GLN 58 5.994 11.008 -20.905 478 H ARG 59 H ARG 59 10.269 12.526 -15.277 479 HA ARG 59 HA ARG 59 7.788 12.703 -13.907 480 1HB ARG 59 1HB ARG 59 10.159 11.467 -13.550 481 2HB ARG 59 2HB ARG 59 10.345 12.772 -12.378 482 1HG ARG 59 1HG ARG 59 8.479 12.083 -11.126 483 2HG ARG 59 2HG ARG 59 7.816 11.139 -12.460 484 1HD ARG 59 1HD ARG 59 8.725 9.431 -11.151 485 2HD ARG 59 2HD ARG 59 10.119 9.805 -12.184 486 HE ARG 59 HE ARG 59 9.825 11.329 -9.650 487 1HH1 ARG 59 1HH2 ARG 59 11.001 8.388 -10.841 488 2HH1 ARG 59 2HH2 ARG 59 12.590 8.567 -10.175 489 1HH2 ARG 59 1HH1 ARG 59 12.059 11.816 -9.092 490 2HH2 ARG 59 2HH1 ARG 59 13.188 10.506 -9.185 491 H ASP 60 H ASP 60 10.693 14.795 -13.590 492 HA ASP 60 HA ASP 60 9.599 16.569 -11.645 493 1HB ASP 60 1HB ASP 60 11.467 17.977 -12.276 494 2HB ASP 60 2HB ASP 60 11.995 16.299 -12.391 495 H GLN 61 H GLN 61 9.137 16.376 -15.123 496 HA GLN 61 HA GLN 61 8.147 19.038 -15.563 497 1HB GLN 61 1HB GLN 61 7.736 16.358 -16.917 498 2HB GLN 61 2HB GLN 61 7.103 17.867 -17.578 499 1HG GLN 61 1HG GLN 61 9.464 18.789 -17.455 500 2HG GLN 61 2HG GLN 61 10.004 17.152 -17.078 501 1HE2 GLN 61 1HE2 GLN 61 10.838 16.225 -18.951 502 2HE2 GLN 61 2HE2 GLN 61 10.150 16.363 -20.497 503 H PHE 62 H PHE 62 6.400 15.948 -15.041 504 HA PHE 62 HA PHE 62 3.765 16.973 -14.998 505 1HB PHE 62 1HB PHE 62 4.070 14.633 -15.043 506 2HB PHE 62 2HB PHE 62 5.207 14.665 -13.696 507 HD1 PHE 62 HD1 PHE 62 1.686 14.596 -14.676 508 HD2 PHE 62 HD2 PHE 62 4.400 15.026 -11.372 509 HE1 PHE 62 HE1 PHE 62 -0.176 14.174 -13.091 510 HE2 PHE 62 HE2 PHE 62 2.539 14.604 -9.789 511 HZ PHE 62 HZ PHE 62 0.252 14.178 -10.646 512 H LEU 63 H LEU 63 6.075 16.570 -12.292 513 HA LEU 63 HA LEU 63 4.398 17.551 -10.211 514 1HB LEU 63 1HB LEU 63 7.291 17.147 -10.755 515 2HB LEU 63 2HB LEU 63 6.908 18.264 -9.444 516 HG LEU 63 HG LEU 63 5.727 15.485 -9.680 517 1HD1 LEU 63 1HD1 LEU 63 7.327 14.780 -8.012 518 2HD1 LEU 63 2HD1 LEU 63 7.954 16.420 -7.848 519 3HD1 LEU 63 3HD1 LEU 63 8.230 15.514 -9.337 520 1HD2 LEU 63 1HD2 LEU 63 4.863 15.868 -7.503 521 2HD2 LEU 63 2HD2 LEU 63 4.555 17.376 -8.363 522 3HD2 LEU 63 3HD2 LEU 63 5.912 17.261 -7.243 523 H SER 64 H SER 64 6.047 19.219 -12.790 524 HA SER 64 HA SER 64 5.879 21.856 -11.462 525 1HB SER 64 1HB SER 64 7.620 22.156 -12.872 526 2HB SER 64 2HB SER 64 7.321 20.579 -13.596 527 HG SER 64 HG SER 64 6.740 23.076 -14.518 528 H GLN 65 H GLN 65 3.962 19.862 -13.529 529 HA GLN 65 HA GLN 65 2.385 22.143 -14.585 530 1HB GLN 65 1HB GLN 65 2.171 19.137 -14.953 531 2HB GLN 65 2HB GLN 65 1.318 20.353 -15.905 532 1HG GLN 65 1HG GLN 65 4.206 20.831 -15.789 533 2HG GLN 65 2HG GLN 65 3.799 19.278 -16.521 534 1HE2 GLN 65 1HE2 GLN 65 4.243 19.926 -18.717 535 2HE2 GLN 65 2HE2 GLN 65 3.303 21.084 -19.528 536 H VAL 66 H VAL 66 2.327 19.929 -11.946 537 HA VAL 66 HA VAL 66 -0.514 20.706 -11.374 538 HB VAL 66 HB VAL 66 -0.827 18.423 -10.513 539 1HG1 VAL 66 1HG1 VAL 66 -1.024 19.014 -13.016 540 2HG1 VAL 66 2HG1 VAL 66 -0.893 17.304 -12.603 541 3HG1 VAL 66 3HG1 VAL 66 0.516 18.176 -13.207 542 1HG2 VAL 66 1HG2 VAL 66 1.227 16.866 -11.272 543 2HG2 VAL 66 2HG2 VAL 66 1.161 17.613 -9.675 544 3HG2 VAL 66 3HG2 VAL 66 2.122 18.353 -10.956 545 H LYS 67 H LYS 67 -0.803 21.526 -9.318 546 HA LYS 67 HA LYS 67 1.562 21.824 -7.584 547 1HB LYS 67 1HB LYS 67 0.098 23.717 -7.971 548 2HB LYS 67 2HB LYS 67 -1.313 22.781 -7.478 549 1HG LYS 67 1HG LYS 67 -0.562 24.266 -5.655 550 2HG LYS 67 2HG LYS 67 -0.383 22.570 -5.202 551 1HD LYS 67 1HD LYS 67 1.998 22.639 -5.783 552 2HD LYS 67 2HD LYS 67 1.838 24.317 -6.304 553 1HE LYS 67 1HE LYS 67 2.489 24.771 -4.147 554 2HE LYS 67 2HE LYS 67 0.785 24.450 -3.773 555 1HZ LYS 67 1HZ LYS 67 1.930 22.965 -2.414 556 2HZ LYS 67 2HZ LYS 67 3.086 22.602 -3.606 557 3HZ LYS 67 3HZ LYS 67 1.499 22.013 -3.749 558 H ILE 68 H ILE 68 2.019 20.295 -6.061 559 HA ILE 68 HA ILE 68 -0.059 18.369 -5.212 560 HB ILE 68 HB ILE 68 2.792 18.560 -4.235 561 1HG1 ILE 68 1HG1 ILE 68 3.070 18.757 -6.598 562 2HG1 ILE 68 2HG1 ILE 68 3.295 17.043 -6.246 563 1HG2 ILE 68 1HG2 ILE 68 2.560 16.101 -4.176 564 2HG2 ILE 68 2HG2 ILE 68 0.923 16.241 -4.817 565 3HG2 ILE 68 3HG2 ILE 68 1.301 16.879 -3.217 566 1HD1 ILE 68 1HD1 ILE 68 1.741 16.721 -7.873 567 2HD1 ILE 68 2HD1 ILE 68 1.157 18.382 -7.773 568 3HD1 ILE 68 3HD1 ILE 68 0.580 17.173 -6.626 569 HA PRO 69 HA PRO 69 -1.133 21.337 -1.954 570 1HB PRO 69 1HB PRO 69 -2.572 19.512 -0.507 571 2HB PRO 69 2HB PRO 69 -3.237 20.378 -1.907 572 1HG PRO 69 1HG PRO 69 -2.159 17.610 -1.732 573 2HG PRO 69 2HG PRO 69 -3.559 18.222 -2.625 574 1HD PRO 69 1HD PRO 69 -1.172 17.686 -3.799 575 2HD PRO 69 2HD PRO 69 -2.290 18.932 -4.394 576 H LYS 70 H LYS 70 -0.439 21.469 0.279 577 HA LYS 70 HA LYS 70 2.023 20.080 0.872 578 1HB LYS 70 1HB LYS 70 0.140 21.947 2.313 579 2HB LYS 70 2HB LYS 70 1.556 21.283 3.131 580 1HG LYS 70 1HG LYS 70 3.035 22.229 1.454 581 2HG LYS 70 2HG LYS 70 1.660 22.772 0.492 582 1HD LYS 70 1HD LYS 70 2.544 24.649 1.789 583 2HD LYS 70 2HD LYS 70 0.942 24.218 2.386 584 1HE LYS 70 1HE LYS 70 1.891 24.066 4.446 585 2HE LYS 70 2HE LYS 70 2.702 22.598 3.861 586 1HZ LYS 70 1HZ LYS 70 4.580 23.757 3.262 587 2HZ LYS 70 2HZ LYS 70 4.126 24.593 4.669 588 3HZ LYS 70 3HZ LYS 70 3.771 25.243 3.139 589 H THR 71 H THR 71 -1.288 19.273 1.377 590 HA THR 71 HA THR 71 -0.820 17.589 3.743 591 HB THR 71 HB THR 71 -3.152 18.060 1.867 592 HG1 THR 71 HG1 THR 71 -3.564 19.612 3.200 593 1HG2 THR 71 1HG2 THR 71 -4.302 16.984 4.038 594 2HG2 THR 71 2HG2 THR 71 -2.757 16.136 4.105 595 3HG2 THR 71 3HG2 THR 71 -3.777 16.001 2.671 596 H ILE 72 H ILE 72 -0.686 17.236 0.292 597 HA ILE 72 HA ILE 72 -0.954 14.282 0.422 598 HB ILE 72 HB ILE 72 -0.659 16.355 -1.763 599 1HG1 ILE 72 1HG1 ILE 72 -2.830 14.372 -1.007 600 2HG1 ILE 72 2HG1 ILE 72 -2.884 16.116 -0.756 601 1HG2 ILE 72 1HG2 ILE 72 -0.918 13.360 -2.154 602 2HG2 ILE 72 2HG2 ILE 72 0.613 14.227 -2.286 603 3HG2 ILE 72 3HG2 ILE 72 -0.703 14.587 -3.403 604 1HD1 ILE 72 1HD1 ILE 72 -3.094 14.564 -3.314 605 2HD1 ILE 72 2HD1 ILE 72 -2.427 16.196 -3.357 606 3HD1 ILE 72 3HD1 ILE 72 -4.062 15.927 -2.752 607 H THR 73 H THR 73 0.834 13.053 0.732 608 HA THR 73 HA THR 73 3.526 14.272 0.439 609 HB THR 73 HB THR 73 2.437 11.712 1.637 610 HG1 THR 73 HG1 THR 73 3.754 13.173 3.353 611 1HG2 THR 73 1HG2 THR 73 5.168 12.383 2.361 612 2HG2 THR 73 2HG2 THR 73 5.017 12.107 0.626 613 3HG2 THR 73 3HG2 THR 73 4.515 10.856 1.765 614 H VAL 74 H VAL 74 4.948 13.660 -1.175 615 HA VAL 74 HA VAL 74 3.929 11.884 -3.308 616 HB VAL 74 HB VAL 74 6.396 13.625 -2.991 617 1HG1 VAL 74 1HG1 VAL 74 6.856 11.871 -4.604 618 2HG1 VAL 74 2HG1 VAL 74 6.542 13.364 -5.488 619 3HG1 VAL 74 3HG1 VAL 74 5.294 12.121 -5.384 620 1HG2 VAL 74 1HG2 VAL 74 3.900 14.059 -4.656 621 2HG2 VAL 74 2HG2 VAL 74 5.205 15.210 -4.370 622 3HG2 VAL 74 3HG2 VAL 74 4.129 14.751 -3.050 623 H SER 75 H SER 75 5.654 10.378 -4.306 624 HA SER 75 HA SER 75 7.434 9.144 -2.249 625 1HB SER 75 1HB SER 75 4.940 8.110 -3.410 626 2HB SER 75 2HB SER 75 6.285 6.976 -3.507 627 HG SER 75 HG SER 75 5.484 8.373 -1.164 628 H THR 76 H THR 76 9.163 7.897 -3.188 629 HA THR 76 HA THR 76 9.415 8.081 -6.168 630 HB THR 76 HB THR 76 11.801 8.706 -5.753 631 HG1 THR 76 HG1 THR 76 10.956 9.016 -3.070 632 1HG2 THR 76 1HG2 THR 76 9.741 10.483 -4.418 633 2HG2 THR 76 2HG2 THR 76 10.121 10.457 -6.140 634 3HG2 THR 76 3HG2 THR 76 11.329 11.007 -4.978 635 H GLY 77 H GLY 77 10.146 6.175 -7.093 636 1HA GLY 77 1HA GLY 77 11.893 4.314 -5.776 637 2HA GLY 77 2HA GLY 77 10.227 3.744 -5.667 638 H PHE 78 H PHE 78 11.432 1.985 -7.041 639 HA PHE 78 HA PHE 78 10.791 2.553 -9.892 640 1HB PHE 78 1HB PHE 78 13.430 1.394 -8.941 641 2HB PHE 78 2HB PHE 78 12.994 1.804 -10.600 642 HD1 PHE 78 HD1 PHE 78 14.532 2.977 -7.616 643 HD2 PHE 78 HD2 PHE 78 12.265 4.290 -11.023 644 HE1 PHE 78 HE1 PHE 78 15.329 5.298 -7.252 645 HE2 PHE 78 HE2 PHE 78 13.062 6.611 -10.659 646 HZ PHE 78 HZ PHE 78 14.594 7.114 -8.773 647 H MET 79 H MET 79 10.332 0.618 -11.081 648 HA MET 79 HA MET 79 10.075 -1.854 -9.395 649 1HB MET 79 1HB MET 79 8.351 -0.747 -11.635 650 2HB MET 79 2HB MET 79 8.079 -2.301 -10.846 651 1HG MET 79 1HG MET 79 7.956 -1.054 -8.645 652 2HG MET 79 2HG MET 79 7.967 0.446 -9.574 653 1HE MET 79 1HE MET 79 5.095 0.308 -7.906 654 2HE MET 79 2HE MET 79 4.569 -1.372 -7.999 655 3HE MET 79 3HE MET 79 6.226 -0.986 -7.514 656 H SER 80 H SER 80 9.869 -3.859 -10.931 657 HA SER 80 HA SER 80 11.625 -3.589 -13.330 658 1HB SER 80 1HB SER 80 13.301 -4.445 -12.056 659 2HB SER 80 2HB SER 80 12.194 -4.835 -10.742 660 HG SER 80 HG SER 80 11.704 -6.747 -11.743 661 H ILE 81 H ILE 81 10.189 -4.290 -14.891 662 HA ILE 81 HA ILE 81 9.075 -7.030 -14.612 663 HB ILE 81 HB ILE 81 7.371 -4.606 -15.267 664 1HG1 ILE 81 1HG1 ILE 81 7.657 -6.145 -12.664 665 2HG1 ILE 81 2HG1 ILE 81 8.117 -4.463 -12.936 666 1HG2 ILE 81 1HG2 ILE 81 5.600 -6.066 -15.444 667 2HG2 ILE 81 2HG2 ILE 81 6.284 -7.202 -14.281 668 3HG2 ILE 81 3HG2 ILE 81 6.892 -7.161 -15.935 669 1HD1 ILE 81 1HD1 ILE 81 5.402 -4.822 -13.790 670 2HD1 ILE 81 2HD1 ILE 81 6.019 -3.789 -12.500 671 3HD1 ILE 81 3HD1 ILE 81 5.572 -5.460 -12.155 672 1H MET 1 1H MET 1 15.035 -2.107 1.901 673 2H MET 1 2H MET 1 15.855 -0.661 1.546 674 3H MET 1 3H MET 1 15.716 -1.875 0.364 675 HA MET 1 HA MET 1 13.790 0.146 1.179 676 1HB MET 1 1HB MET 1 14.678 -1.424 -1.238 677 2HB MET 1 2HB MET 1 13.209 -0.448 -1.294 678 1HG MET 1 1HG MET 1 14.908 1.336 -0.166 679 2HG MET 1 2HG MET 1 16.046 0.411 -1.147 680 1HE MET 1 1HE MET 1 16.644 0.786 -3.035 681 2HE MET 1 2HE MET 1 15.442 0.115 -4.135 682 3HE MET 1 3HE MET 1 15.981 1.790 -4.323 683 H THR 2 H THR 2 11.486 -0.493 0.132 684 HA THR 2 HA THR 2 10.593 -2.892 1.637 685 HB THR 2 HB THR 2 8.557 -1.352 0.241 686 HG1 THR 2 HG1 THR 2 9.445 0.368 2.040 687 1HG2 THR 2 1HG2 THR 2 7.678 -2.319 2.104 688 2HG2 THR 2 2HG2 THR 2 8.249 -0.854 2.901 689 3HG2 THR 2 3HG2 THR 2 9.225 -2.321 2.952 690 HA PRO 3 HA PRO 3 10.558 -5.068 -2.249 691 1HB PRO 3 1HB PRO 3 9.491 -7.399 -1.303 692 2HB PRO 3 2HB PRO 3 11.199 -6.967 -1.093 693 1HG PRO 3 1HG PRO 3 8.950 -6.788 0.841 694 2HG PRO 3 2HG PRO 3 10.640 -7.243 1.111 695 1HD PRO 3 1HD PRO 3 9.614 -4.784 1.718 696 2HD PRO 3 2HD PRO 3 11.322 -5.077 1.333 697 H ILE 4 H ILE 4 8.880 -5.486 -3.771 698 HA ILE 4 HA ILE 4 6.064 -5.390 -2.792 699 HB ILE 4 HB ILE 4 5.586 -3.598 -4.424 700 1HG1 ILE 4 1HG1 ILE 4 8.108 -2.594 -5.076 701 2HG1 ILE 4 2HG1 ILE 4 8.265 -4.333 -5.323 702 1HG2 ILE 4 1HG2 ILE 4 7.970 -2.881 -2.693 703 2HG2 ILE 4 2HG2 ILE 4 6.323 -3.050 -2.086 704 3HG2 ILE 4 3HG2 ILE 4 6.706 -1.788 -3.256 705 1HD1 ILE 4 1HD1 ILE 4 6.740 -4.368 -7.038 706 2HD1 ILE 4 2HD1 ILE 4 7.265 -2.693 -7.212 707 3HD1 ILE 4 3HD1 ILE 4 5.775 -3.065 -6.344 708 H VAL 5 H VAL 5 5.141 -7.187 -3.702 709 HA VAL 5 HA VAL 5 6.189 -8.248 -6.271 710 HB VAL 5 HB VAL 5 4.118 -9.281 -4.304 711 1HG1 VAL 5 1HG1 VAL 5 5.040 -10.185 -6.921 712 2HG1 VAL 5 2HG1 VAL 5 3.679 -10.758 -5.955 713 3HG1 VAL 5 3HG1 VAL 5 5.296 -11.407 -5.674 714 1HG2 VAL 5 1HG2 VAL 5 7.027 -10.072 -4.652 715 2HG2 VAL 5 2HG2 VAL 5 5.906 -10.682 -3.435 716 3HG2 VAL 5 3HG2 VAL 5 6.438 -9.002 -3.379 717 H HIS 6 H HIS 6 4.769 -8.608 -8.079 718 HA HIS 6 HA HIS 6 2.136 -7.180 -7.968 719 1HB HIS 6 1HB HIS 6 4.509 -6.327 -9.217 720 2HB HIS 6 2HB HIS 6 3.504 -6.955 -10.525 721 HD1 HIS 6 HD1 HIS 6 2.265 -5.044 -11.531 722 HD2 HIS 6 HD2 HIS 6 2.449 -4.732 -7.377 723 HE1 HIS 6 HE1 HIS 6 0.922 -2.989 -10.906 724 H LEU 7 H LEU 7 0.609 -8.699 -8.478 725 HA LEU 7 HA LEU 7 1.352 -10.863 -10.418 726 1HB LEU 7 1HB LEU 7 -0.807 -10.788 -8.285 727 2HB LEU 7 2HB LEU 7 -0.294 -12.200 -9.210 728 HG LEU 7 HG LEU 7 2.031 -11.040 -8.026 729 1HD1 LEU 7 1HD1 LEU 7 0.220 -11.868 -5.817 730 2HD1 LEU 7 2HD1 LEU 7 -0.049 -10.260 -6.490 731 3HD1 LEU 7 3HD1 LEU 7 1.526 -10.683 -5.818 732 1HD2 LEU 7 1HD2 LEU 7 2.450 -13.241 -7.706 733 2HD2 LEU 7 2HD2 LEU 7 0.913 -13.544 -8.513 734 3HD2 LEU 7 3HD2 LEU 7 0.982 -13.456 -6.754 735 H LYS 8 H LYS 8 -0.145 -11.337 -12.101 736 HA LYS 8 HA LYS 8 -2.537 -9.568 -12.352 737 1HB LYS 8 1HB LYS 8 -0.662 -8.460 -13.478 738 2HB LYS 8 2HB LYS 8 -0.300 -9.936 -14.372 739 1HG LYS 8 1HG LYS 8 -2.494 -9.830 -15.473 740 2HG LYS 8 2HG LYS 8 -2.894 -8.376 -14.558 741 1HD LYS 8 1HD LYS 8 -0.707 -7.403 -15.575 742 2HD LYS 8 2HD LYS 8 -0.847 -8.720 -16.741 743 1HE LYS 8 1HE LYS 8 -3.429 -7.500 -16.467 744 2HE LYS 8 2HE LYS 8 -2.231 -6.227 -16.779 745 1HZ LYS 8 1HZ LYS 8 -1.417 -7.376 -18.652 746 2HZ LYS 8 2HZ LYS 8 -3.108 -7.406 -18.808 747 3HZ LYS 8 3HZ LYS 8 -2.277 -8.788 -18.271 748 H GLY 9 H GLY 9 -3.933 -10.354 -14.230 749 1HA GLY 9 1HA GLY 9 -3.834 -12.579 -15.753 750 2HA GLY 9 2HA GLY 9 -4.047 -13.302 -14.158 751 H ASP 10 H ASP 10 -6.145 -14.101 -14.901 752 HA ASP 10 HA ASP 10 -8.256 -12.395 -15.827 753 1HB ASP 10 1HB ASP 10 -7.977 -15.113 -14.583 754 2HB ASP 10 2HB ASP 10 -9.591 -14.428 -14.783 755 H ALA 11 H ALA 11 -9.445 -10.920 -14.678 756 HA ALA 11 HA ALA 11 -8.991 -10.130 -12.032 757 1HB ALA 11 1HB ALA 11 -10.280 -8.678 -13.316 758 2HB ALA 11 2HB ALA 11 -11.271 -9.979 -13.973 759 3HB ALA 11 3HB ALA 11 -11.536 -9.416 -12.322 760 H ASN 12 H ASN 12 -10.900 -12.828 -13.222 761 HA ASN 12 HA ASN 12 -12.328 -13.298 -10.719 762 1HB ASN 12 1HB ASN 12 -11.788 -15.144 -13.066 763 2HB ASN 12 2HB ASN 12 -13.111 -15.271 -11.907 764 1HD2 ASN 12 1HD2 ASN 12 -12.311 -14.049 -14.968 765 2HD2 ASN 12 2HD2 ASN 12 -13.591 -12.947 -15.137 766 H THR 13 H THR 13 -9.543 -14.827 -12.366 767 HA THR 13 HA THR 13 -9.004 -16.863 -10.464 768 HB THR 13 HB THR 13 -7.034 -15.233 -12.100 769 HG1 THR 13 HG1 THR 13 -8.277 -17.599 -12.954 770 1HG2 THR 13 1HG2 THR 13 -5.963 -17.572 -12.239 771 2HG2 THR 13 2HG2 THR 13 -7.019 -17.997 -10.892 772 3HG2 THR 13 3HG2 THR 13 -5.824 -16.713 -10.705 773 H LEU 14 H LEU 14 -8.525 -13.423 -10.282 774 HA LEU 14 HA LEU 14 -6.475 -13.474 -8.205 775 1HB LEU 14 1HB LEU 14 -8.355 -11.422 -9.388 776 2HB LEU 14 2HB LEU 14 -7.242 -11.018 -8.081 777 HG LEU 14 HG LEU 14 -6.484 -12.139 -10.795 778 1HD1 LEU 14 1HD1 LEU 14 -5.151 -9.727 -10.246 779 2HD1 LEU 14 2HD1 LEU 14 -6.820 -9.455 -9.742 780 3HD1 LEU 14 3HD1 LEU 14 -6.470 -9.966 -11.393 781 1HD2 LEU 14 1HD2 LEU 14 -4.134 -11.537 -9.830 782 2HD2 LEU 14 2HD2 LEU 14 -4.893 -13.043 -9.313 783 3HD2 LEU 14 3HD2 LEU 14 -4.934 -11.629 -8.260 784 H LYS 15 H LYS 15 -9.999 -13.433 -8.301 785 HA LYS 15 HA LYS 15 -10.551 -12.597 -5.638 786 1HB LYS 15 1HB LYS 15 -12.104 -12.958 -7.630 787 2HB LYS 15 2HB LYS 15 -12.045 -14.680 -7.251 788 1HG LYS 15 1HG LYS 15 -12.832 -14.145 -4.933 789 2HG LYS 15 2HG LYS 15 -13.016 -12.462 -5.426 790 1HD LYS 15 1HD LYS 15 -14.304 -14.510 -7.162 791 2HD LYS 15 2HD LYS 15 -15.038 -14.231 -5.583 792 1HE LYS 15 1HE LYS 15 -15.215 -11.823 -6.059 793 2HE LYS 15 2HE LYS 15 -14.433 -12.068 -7.632 794 1HZ LYS 15 1HZ LYS 15 -16.520 -13.946 -7.265 795 2HZ LYS 15 2HZ LYS 15 -16.337 -12.784 -8.491 796 3HZ LYS 15 3HZ LYS 15 -17.125 -12.378 -7.042 797 H CYS 16 H CYS 16 -9.777 -15.821 -6.947 798 HA CYS 16 HA CYS 16 -10.253 -17.261 -4.490 799 1HB CYS 16 1HB CYS 16 -10.262 -18.348 -6.650 800 2HB CYS 16 2HB CYS 16 -8.619 -17.802 -6.985 801 HG CYS 16 HG CYS 16 -7.881 -19.346 -4.883 802 H LEU 17 H LEU 17 -7.325 -15.842 -5.956 803 HA LEU 17 HA LEU 17 -5.401 -16.864 -4.136 804 1HB LEU 17 1HB LEU 17 -5.543 -14.187 -5.564 805 2HB LEU 17 2HB LEU 17 -4.073 -14.936 -4.938 806 HG LEU 17 HG LEU 17 -5.819 -16.464 -6.850 807 1HD1 LEU 17 1HD1 LEU 17 -5.391 -15.058 -8.553 808 2HD1 LEU 17 2HD1 LEU 17 -3.662 -15.222 -8.255 809 3HD1 LEU 17 3HD1 LEU 17 -4.580 -13.956 -7.440 810 1HD2 LEU 17 1HD2 LEU 17 -3.597 -17.432 -7.449 811 2HD2 LEU 17 2HD2 LEU 17 -3.980 -17.636 -5.739 812 3HD2 LEU 17 3HD2 LEU 17 -2.846 -16.384 -6.244 813 H ARG 18 H ARG 18 -7.180 -13.752 -4.005 814 HA ARG 18 HA ARG 18 -6.173 -12.605 -1.705 815 1HB ARG 18 1HB ARG 18 -8.115 -11.983 -3.340 816 2HB ARG 18 2HB ARG 18 -9.142 -12.812 -2.170 817 1HG ARG 18 1HG ARG 18 -8.111 -11.345 -0.377 818 2HG ARG 18 2HG ARG 18 -7.357 -10.417 -1.674 819 1HD ARG 18 1HD ARG 18 -9.687 -10.107 -2.660 820 2HD ARG 18 2HD ARG 18 -10.322 -10.774 -1.143 821 HE ARG 18 HE ARG 18 -8.982 -8.171 -1.447 822 1HH1 ARG 18 1HH1 ARG 18 -11.387 -9.307 0.290 823 2HH1 ARG 18 2HH1 ARG 18 -10.751 -8.983 1.869 824 1HH2 ARG 18 1HH2 ARG 18 -7.534 -8.359 0.736 825 2HH2 ARG 18 2HH2 ARG 18 -8.570 -8.447 2.122 826 H TYR 19 H TYR 19 -8.485 -15.319 -1.860 827 HA TYR 19 HA TYR 19 -9.077 -15.420 0.944 828 1HB TYR 19 1HB TYR 19 -10.376 -16.536 -0.834 829 2HB TYR 19 2HB TYR 19 -9.006 -17.597 -1.172 830 HD1 TYR 19 HD1 TYR 19 -11.469 -16.618 1.442 831 HD2 TYR 19 HD2 TYR 19 -8.565 -19.519 0.170 832 HE1 TYR 19 HE1 TYR 19 -12.205 -18.146 3.252 833 HE2 TYR 19 HE2 TYR 19 -9.304 -21.049 1.979 834 HH TYR 19 HH TYR 19 -11.432 -20.013 4.506 835 H ARG 20 H ARG 20 -6.571 -17.034 -1.022 836 HA ARG 20 HA ARG 20 -5.476 -18.712 0.989 837 1HB ARG 20 1HB ARG 20 -4.358 -17.282 -1.432 838 2HB ARG 20 2HB ARG 20 -3.381 -18.401 -0.479 839 1HG ARG 20 1HG ARG 20 -5.169 -20.140 -0.817 840 2HG ARG 20 2HG ARG 20 -5.971 -19.025 -1.925 841 1HD ARG 20 1HD ARG 20 -3.429 -18.972 -2.924 842 2HD ARG 20 2HD ARG 20 -3.528 -20.645 -2.340 843 HE ARG 20 HE ARG 20 -5.943 -19.856 -3.740 844 1HH1 ARG 20 1HH1 ARG 20 -2.622 -20.579 -4.266 845 2HH1 ARG 20 2HH1 ARG 20 -2.906 -21.465 -5.727 846 1HH2 ARG 20 1HH2 ARG 20 -6.355 -21.151 -5.563 847 2HH2 ARG 20 2HH2 ARG 20 -5.018 -21.790 -6.460 848 H PHE 21 H PHE 21 -4.899 -15.282 0.261 849 HA PHE 21 HA PHE 21 -2.678 -14.907 2.050 850 1HB PHE 21 1HB PHE 21 -4.797 -12.908 1.211 851 2HB PHE 21 2HB PHE 21 -3.117 -12.570 1.632 852 HD1 PHE 21 HD1 PHE 21 -2.144 -15.208 0.164 853 HD2 PHE 21 HD2 PHE 21 -4.528 -11.831 -1.003 854 HE1 PHE 21 HE1 PHE 21 -1.480 -15.557 -2.200 855 HE2 PHE 21 HE2 PHE 21 -3.864 -12.180 -3.368 856 HZ PHE 21 HZ PHE 21 -2.340 -14.043 -3.966 857 H LYS 22 H LYS 22 -6.070 -15.313 2.593 858 HA LYS 22 HA LYS 22 -6.411 -13.831 5.017 859 1HB LYS 22 1HB LYS 22 -7.679 -16.389 3.985 860 2HB LYS 22 2HB LYS 22 -8.334 -15.402 5.293 861 1HG LYS 22 1HG LYS 22 -7.823 -14.406 2.475 862 2HG LYS 22 2HG LYS 22 -9.400 -14.893 3.098 863 1HD LYS 22 1HD LYS 22 -8.877 -13.181 5.012 864 2HD LYS 22 2HD LYS 22 -7.723 -12.517 3.854 865 1HE LYS 22 1HE LYS 22 -9.378 -11.753 2.439 866 2HE LYS 22 2HE LYS 22 -10.479 -13.084 2.844 867 1HZ LYS 22 1HZ LYS 22 -10.233 -11.923 5.216 868 2HZ LYS 22 2HZ LYS 22 -11.451 -11.501 4.109 869 3HZ LYS 22 3HZ LYS 22 -10.042 -10.559 4.226 870 H LYS 23 H LYS 23 -5.562 -17.274 4.485 871 HA LYS 23 HA LYS 23 -5.145 -17.801 7.317 872 1HB LYS 23 1HB LYS 23 -4.399 -19.237 4.748 873 2HB LYS 23 2HB LYS 23 -4.193 -19.936 6.355 874 1HG LYS 23 1HG LYS 23 -6.854 -18.871 5.393 875 2HG LYS 23 2HG LYS 23 -6.359 -20.544 5.128 876 1HD LYS 23 1HD LYS 23 -5.797 -20.317 7.766 877 2HD LYS 23 2HD LYS 23 -7.140 -19.180 7.647 878 1HE LYS 23 1HE LYS 23 -7.856 -21.491 6.128 879 2HE LYS 23 2HE LYS 23 -7.270 -22.041 7.711 880 1HZ LYS 23 1HZ LYS 23 -8.953 -19.654 7.655 881 2HZ LYS 23 2HZ LYS 23 -8.860 -20.888 8.819 882 3HZ LYS 23 3HZ LYS 23 -9.724 -21.140 7.377 883 H HIS 24 H HIS 24 -3.205 -16.578 4.688 884 HA HIS 24 HA HIS 24 -0.668 -16.981 6.182 885 1HB HIS 24 1HB HIS 24 -1.261 -15.743 3.474 886 2HB HIS 24 2HB HIS 24 0.327 -16.223 4.075 887 HD1 HIS 24 HD1 HIS 24 -0.625 -17.551 1.519 888 HD2 HIS 24 HD2 HIS 24 -1.444 -19.115 5.296 889 HE1 HIS 24 HE1 HIS 24 -1.100 -20.015 1.187 890 H CYS 25 H CYS 25 -2.738 -15.125 7.216 891 HA CYS 25 HA CYS 25 -2.266 -12.400 6.609 892 1HB CYS 25 1HB CYS 25 -3.293 -12.022 8.780 893 2HB CYS 25 2HB CYS 25 -4.058 -13.436 8.053 894 HG CYS 25 HG CYS 25 -3.428 -14.488 10.228 895 H THR 26 H THR 26 -0.330 -14.693 8.399 896 HA THR 26 HA THR 26 1.430 -12.548 9.473 897 HB THR 26 HB THR 26 0.595 -14.532 10.817 898 HG1 THR 26 HG1 THR 26 3.393 -14.308 10.412 899 1HG2 THR 26 1HG2 THR 26 2.653 -16.236 9.512 900 2HG2 THR 26 2HG2 THR 26 1.151 -15.994 8.622 901 3HG2 THR 26 3HG2 THR 26 1.113 -16.690 10.242 902 H LEU 27 H LEU 27 1.611 -12.503 6.755 903 HA LEU 27 HA LEU 27 4.317 -13.639 6.274 904 1HB LEU 27 1HB LEU 27 1.742 -14.372 4.956 905 2HB LEU 27 2HB LEU 27 3.172 -14.264 3.928 906 HG LEU 27 HG LEU 27 3.013 -15.891 6.482 907 1HD1 LEU 27 1HD1 LEU 27 3.285 -17.742 4.581 908 2HD1 LEU 27 2HD1 LEU 27 2.457 -16.522 3.613 909 3HD1 LEU 27 3HD1 LEU 27 1.693 -17.160 5.069 910 1HD2 LEU 27 1HD2 LEU 27 5.199 -14.954 4.902 911 2HD2 LEU 27 2HD2 LEU 27 5.061 -16.692 4.644 912 3HD2 LEU 27 3HD2 LEU 27 5.250 -16.056 6.278 913 H TYR 28 H TYR 28 1.699 -11.443 5.265 914 HA TYR 28 HA TYR 28 3.664 -9.954 3.569 915 1HB TYR 28 1HB TYR 28 1.558 -8.974 2.609 916 2HB TYR 28 2HB TYR 28 1.639 -10.729 2.445 917 HD1 TYR 28 HD1 TYR 28 -0.160 -12.023 3.178 918 HD2 TYR 28 HD2 TYR 28 0.410 -8.093 4.818 919 HE1 TYR 28 HE1 TYR 28 -2.284 -12.243 4.440 920 HE2 TYR 28 HE2 TYR 28 -1.714 -8.312 6.082 921 HH TYR 28 HH TYR 28 -4.017 -10.018 5.521 922 H THR 29 H THR 29 3.351 -7.503 3.675 923 HA THR 29 HA THR 29 3.061 -6.688 6.526 924 HB THR 29 HB THR 29 4.182 -5.176 4.152 925 HG1 THR 29 HG1 THR 29 6.172 -6.003 4.816 926 1HG2 THR 29 1HG2 THR 29 3.701 -3.785 6.093 927 2HG2 THR 29 2HG2 THR 29 5.446 -3.994 5.948 928 3HG2 THR 29 3HG2 THR 29 4.544 -4.919 7.149 929 H ALA 30 H ALA 30 1.850 -5.918 3.266 930 HA ALA 30 HA ALA 30 -0.578 -4.740 4.440 931 1HB ALA 30 1HB ALA 30 -0.184 -2.521 3.507 932 2HB ALA 30 2HB ALA 30 1.186 -2.959 4.528 933 3HB ALA 30 3HB ALA 30 1.325 -3.065 2.773 934 H VAL 31 H VAL 31 -2.149 -5.580 3.134 935 HA VAL 31 HA VAL 31 -1.537 -6.289 0.325 936 HB VAL 31 HB VAL 31 -2.791 -7.729 2.017 937 1HG1 VAL 31 1HG1 VAL 31 -5.134 -5.938 1.387 938 2HG1 VAL 31 2HG1 VAL 31 -4.119 -5.643 2.799 939 3HG1 VAL 31 3HG1 VAL 31 -4.996 -7.165 2.645 940 1HG2 VAL 31 1HG2 VAL 31 -2.909 -7.950 -0.520 941 2HG2 VAL 31 2HG2 VAL 31 -4.414 -7.034 -0.445 942 3HG2 VAL 31 3HG2 VAL 31 -4.294 -8.600 0.358 943 H SER 32 H SER 32 -2.320 -5.110 -1.429 944 HA SER 32 HA SER 32 -3.739 -2.568 -0.815 945 1HB SER 32 1HB SER 32 -3.069 -2.112 -3.219 946 2HB SER 32 2HB SER 32 -1.721 -2.412 -2.125 947 HG SER 32 HG SER 32 -2.940 -4.220 -3.945 948 H SER 33 H SER 33 -5.696 -2.012 -1.897 949 HA SER 33 HA SER 33 -7.609 -4.087 -2.312 950 1HB SER 33 1HB SER 33 -7.573 -1.359 -2.013 951 2HB SER 33 2HB SER 33 -8.015 -1.514 -3.710 952 HG SER 33 HG SER 33 -9.306 -3.270 -2.035 953 H THR 34 H THR 34 -8.714 -4.597 -4.387 954 HA THR 34 HA THR 34 -6.874 -5.306 -6.488 955 HB THR 34 HB THR 34 -9.887 -5.085 -6.663 956 HG1 THR 34 HG1 THR 34 -10.005 -6.491 -5.134 957 1HG2 THR 34 1HG2 THR 34 -8.723 -5.759 -8.707 958 2HG2 THR 34 2HG2 THR 34 -9.604 -7.132 -8.037 959 3HG2 THR 34 3HG2 THR 34 -7.857 -7.014 -7.821 960 H TRP 35 H TRP 35 -6.170 -4.036 -8.162 961 HA TRP 35 HA TRP 35 -7.913 -1.842 -9.165 962 1HB TRP 35 1HB TRP 35 -6.176 -0.203 -8.849 963 2HB TRP 35 2HB TRP 35 -6.343 -1.057 -7.316 964 HD1 TRP 35 HD1 TRP 35 -4.470 -2.909 -6.733 965 HE1 TRP 35 HE1 TRP 35 -2.010 -3.103 -7.480 966 HE3 TRP 35 HE3 TRP 35 -4.519 0.239 -10.754 967 HZ2 TRP 35 HZ2 TRP 35 -0.290 -2.060 -9.517 968 HZ3 TRP 35 HZ3 TRP 35 -2.459 0.620 -12.079 969 HH2 TRP 35 HH2 TRP 35 -0.348 -0.524 -11.466 970 H HIS 36 H HIS 36 -6.558 -0.797 -11.145 971 HA HIS 36 HA HIS 36 -4.808 -2.709 -12.529 972 1HB HIS 36 1HB HIS 36 -6.927 -3.776 -12.900 973 2HB HIS 36 2HB HIS 36 -7.705 -2.241 -13.281 974 HD1 HIS 36 HD1 HIS 36 -7.462 -1.341 -15.658 975 HD2 HIS 36 HD2 HIS 36 -5.175 -4.760 -14.983 976 HE1 HIS 36 HE1 HIS 36 -6.590 -2.077 -17.918 977 H TRP 37 H TRP 37 -4.457 -1.871 -14.873 978 HA TRP 37 HA TRP 37 -3.817 0.979 -14.745 979 1HB TRP 37 1HB TRP 37 -3.615 -1.165 -16.882 980 2HB TRP 37 2HB TRP 37 -2.961 0.462 -17.067 981 HD1 TRP 37 HD1 TRP 37 -1.837 -2.814 -16.170 982 HE1 TRP 37 HE1 TRP 37 0.261 -2.751 -14.671 983 HE3 TRP 37 HE3 TRP 37 -1.946 2.078 -14.713 984 HZ2 TRP 37 HZ2 TRP 37 1.701 -0.869 -13.063 985 HZ3 TRP 37 HZ3 TRP 37 -0.203 2.981 -13.200 986 HH2 TRP 37 HH2 TRP 37 1.619 1.514 -12.374 987 H THR 38 H THR 38 -5.864 2.068 -14.685 988 HA THR 38 HA THR 38 -7.988 1.514 -16.583 989 HB THR 38 HB THR 38 -8.214 2.527 -14.297 990 HG1 THR 38 HG1 THR 38 -9.885 3.703 -14.940 991 1HG2 THR 38 1HG2 THR 38 -7.058 4.986 -15.638 992 2HG2 THR 38 2HG2 THR 38 -6.185 3.972 -14.490 993 3HG2 THR 38 3HG2 THR 38 -7.615 4.861 -13.969 994 H GLY 39 H GLY 39 -8.670 2.990 -18.301 995 1HA GLY 39 1HA GLY 39 -7.027 5.186 -19.181 996 2HA GLY 39 2HA GLY 39 -6.687 3.740 -20.134 997 H HIS 40 H HIS 40 -7.796 5.950 -21.396 998 HA HIS 40 HA HIS 40 -10.615 6.123 -21.521 999 1HB HIS 40 1HB HIS 40 -8.713 7.496 -22.622 1000 2HB HIS 40 2HB HIS 40 -8.777 6.295 -23.912 1001 HD1 HIS 40 HD1 HIS 40 -9.967 9.496 -23.426 1002 HD2 HIS 40 HD2 HIS 40 -11.929 5.955 -24.419 1003 HE1 HIS 40 HE1 HIS 40 -12.147 10.170 -24.523 1004 H ASN 41 H ASN 41 -8.402 3.962 -23.319 1005 HA ASN 41 HA ASN 41 -10.797 2.380 -24.193 1006 1HB ASN 41 1HB ASN 41 -8.145 3.097 -25.394 1007 2HB ASN 41 2HB ASN 41 -8.897 1.573 -25.871 1008 1HD2 ASN 41 1HD2 ASN 41 -9.241 5.094 -25.998 1009 2HD2 ASN 41 2HD2 ASN 41 -10.516 5.106 -27.118 1010 H VAL 42 H VAL 42 -10.997 0.639 -22.820 1011 HA VAL 42 HA VAL 42 -8.559 -0.595 -21.650 1012 HB VAL 42 HB VAL 42 -11.288 -1.642 -21.088 1013 1HG1 VAL 42 1HG1 VAL 42 -10.394 -2.028 -18.998 1014 2HG1 VAL 42 2HG1 VAL 42 -9.412 -0.564 -19.032 1015 3HG1 VAL 42 3HG1 VAL 42 -8.899 -1.992 -19.932 1016 1HG2 VAL 42 1HG2 VAL 42 -11.986 0.617 -21.196 1017 2HG2 VAL 42 2HG2 VAL 42 -10.452 1.213 -20.561 1018 3HG2 VAL 42 3HG2 VAL 42 -11.588 0.387 -19.493 1019 H LYS 43 H LYS 43 -9.329 -3.223 -21.385 1020 HA LYS 43 HA LYS 43 -9.792 -4.163 -24.196 1021 1HB LYS 43 1HB LYS 43 -7.389 -4.158 -23.506 1022 2HB LYS 43 2HB LYS 43 -7.802 -5.228 -22.165 1023 1HG LYS 43 1HG LYS 43 -8.241 -7.035 -23.558 1024 2HG LYS 43 2HG LYS 43 -8.627 -6.008 -24.940 1025 1HD LYS 43 1HD LYS 43 -6.274 -5.423 -25.214 1026 2HD LYS 43 2HD LYS 43 -5.850 -6.336 -23.766 1027 1HE LYS 43 1HE LYS 43 -7.301 -8.146 -25.365 1028 2HE LYS 43 2HE LYS 43 -6.195 -7.311 -26.474 1029 1HZ LYS 43 1HZ LYS 43 -4.796 -8.876 -25.587 1030 2HZ LYS 43 2HZ LYS 43 -5.575 -8.893 -24.078 1031 3HZ LYS 43 3HZ LYS 43 -4.548 -7.605 -24.492 1032 H HIS 44 H HIS 44 -9.268 -5.712 -21.010 1033 HA HIS 44 HA HIS 44 -12.039 -6.754 -21.014 1034 1HB HIS 44 1HB HIS 44 -9.850 -8.150 -22.156 1035 2HB HIS 44 2HB HIS 44 -10.209 -8.953 -20.628 1036 HD1 HIS 44 HD1 HIS 44 -13.110 -9.019 -20.351 1037 HD2 HIS 44 HD2 HIS 44 -11.363 -9.349 -24.121 1038 HE1 HIS 44 HE1 HIS 44 -14.836 -10.115 -21.846 1039 H LYS 45 H LYS 45 -11.508 -8.812 -19.091 1040 HA LYS 45 HA LYS 45 -11.151 -7.157 -16.688 1041 1HB LYS 45 1HB LYS 45 -12.266 -9.747 -17.491 1042 2HB LYS 45 2HB LYS 45 -11.416 -9.825 -15.947 1043 1HG LYS 45 1HG LYS 45 -12.731 -7.678 -15.342 1044 2HG LYS 45 2HG LYS 45 -13.766 -8.095 -16.709 1045 1HD LYS 45 1HD LYS 45 -14.123 -10.351 -15.696 1046 2HD LYS 45 2HD LYS 45 -13.191 -9.832 -14.292 1047 1HE LYS 45 1HE LYS 45 -14.892 -8.514 -13.491 1048 2HE LYS 45 2HE LYS 45 -15.409 -8.024 -15.117 1049 1HZ LYS 45 1HZ LYS 45 -16.909 -9.644 -13.887 1050 2HZ LYS 45 2HZ LYS 45 -15.701 -10.808 -14.155 1051 3HZ LYS 45 3HZ LYS 45 -16.473 -10.061 -15.472 1052 H SER 46 H SER 46 -9.050 -6.725 -16.095 1053 HA SER 46 HA SER 46 -7.162 -9.034 -15.902 1054 1HB SER 46 1HB SER 46 -5.416 -7.526 -16.886 1055 2HB SER 46 2HB SER 46 -6.723 -7.884 -18.010 1056 HG SER 46 HG SER 46 -7.564 -5.884 -17.668 1057 H ALA 47 H ALA 47 -8.740 -7.492 -13.903 1058 HA ALA 47 HA ALA 47 -7.588 -5.496 -12.447 1059 1HB ALA 47 1HB ALA 47 -8.483 -6.659 -10.465 1060 2HB ALA 47 2HB ALA 47 -9.584 -6.830 -11.831 1061 3HB ALA 47 3HB ALA 47 -8.535 -8.172 -11.370 1062 H ILE 48 H ILE 48 -5.927 -5.337 -10.828 1063 HA ILE 48 HA ILE 48 -3.986 -7.600 -10.663 1064 HB ILE 48 HB ILE 48 -3.252 -4.726 -11.292 1065 1HG1 ILE 48 1HG1 ILE 48 -3.386 -7.097 -13.183 1066 2HG1 ILE 48 2HG1 ILE 48 -4.588 -5.807 -13.121 1067 1HG2 ILE 48 1HG2 ILE 48 -1.058 -5.500 -11.537 1068 2HG2 ILE 48 2HG2 ILE 48 -1.571 -7.169 -11.789 1069 3HG2 ILE 48 3HG2 ILE 48 -1.632 -6.460 -10.174 1070 1HD1 ILE 48 1HD1 ILE 48 -3.038 -4.173 -13.857 1071 2HD1 ILE 48 2HD1 ILE 48 -2.713 -5.576 -14.875 1072 3HD1 ILE 48 3HD1 ILE 48 -1.654 -5.211 -13.511 1073 H VAL 49 H VAL 49 -2.814 -7.605 -8.688 1074 HA VAL 49 HA VAL 49 -3.529 -5.443 -6.735 1075 HB VAL 49 HB VAL 49 -4.606 -7.877 -6.690 1076 1HG1 VAL 49 1HG1 VAL 49 -2.292 -8.407 -4.865 1077 2HG1 VAL 49 2HG1 VAL 49 -2.097 -8.736 -6.586 1078 3HG1 VAL 49 3HG1 VAL 49 -3.366 -9.551 -5.670 1079 1HG2 VAL 49 1HG2 VAL 49 -4.899 -6.008 -5.029 1080 2HG2 VAL 49 2HG2 VAL 49 -3.487 -6.621 -4.168 1081 3HG2 VAL 49 3HG2 VAL 49 -4.937 -7.616 -4.306 1082 H THR 50 H THR 50 -1.946 -5.741 -4.720 1083 HA THR 50 HA THR 50 0.792 -6.528 -5.593 1084 HB THR 50 HB THR 50 -0.103 -3.789 -4.637 1085 HG1 THR 50 HG1 THR 50 -0.388 -4.331 -6.873 1086 1HG2 THR 50 1HG2 THR 50 2.698 -4.349 -5.497 1087 2HG2 THR 50 2HG2 THR 50 2.220 -4.873 -3.881 1088 3HG2 THR 50 3HG2 THR 50 2.094 -3.172 -4.331 1089 H LEU 51 H LEU 51 2.205 -6.935 -3.773 1090 HA LEU 51 HA LEU 51 0.929 -6.757 -1.072 1091 1HB LEU 51 1HB LEU 51 1.747 -9.094 -2.680 1092 2HB LEU 51 2HB LEU 51 2.335 -9.120 -1.016 1093 HG LEU 51 HG LEU 51 -0.477 -8.282 -1.286 1094 1HD1 LEU 51 1HD1 LEU 51 -0.963 -9.904 -2.822 1095 2HD1 LEU 51 2HD1 LEU 51 -0.879 -10.964 -1.415 1096 3HD1 LEU 51 3HD1 LEU 51 0.514 -10.807 -2.484 1097 1HD2 LEU 51 1HD2 LEU 51 0.669 -10.560 0.328 1098 2HD2 LEU 51 2HD2 LEU 51 -0.709 -9.528 0.710 1099 3HD2 LEU 51 3HD2 LEU 51 0.930 -8.884 0.810 1100 H THR 52 H THR 52 2.329 -5.858 0.381 1101 HA THR 52 HA THR 52 5.177 -5.499 -0.415 1102 HB THR 52 HB THR 52 3.684 -4.318 1.938 1103 HG1 THR 52 HG1 THR 52 2.555 -3.928 -0.011 1104 1HG2 THR 52 1HG2 THR 52 5.901 -3.118 0.277 1105 2HG2 THR 52 2HG2 THR 52 6.234 -4.150 1.668 1106 3HG2 THR 52 3HG2 THR 52 5.358 -2.634 1.884 1107 H TYR 53 H TYR 53 6.823 -6.548 0.663 1108 HA TYR 53 HA TYR 53 6.067 -8.226 3.033 1109 1HB TYR 53 1HB TYR 53 8.124 -8.501 0.825 1110 2HB TYR 53 2HB TYR 53 8.119 -9.536 2.253 1111 HD1 TYR 53 HD1 TYR 53 5.980 -8.378 -0.583 1112 HD2 TYR 53 HD2 TYR 53 6.676 -11.401 2.389 1113 HE1 TYR 53 HE1 TYR 53 4.226 -9.798 -1.617 1114 HE2 TYR 53 HE2 TYR 53 4.924 -12.821 1.355 1115 HH TYR 53 HH TYR 53 2.659 -12.017 -0.320 1116 H ASP 54 H ASP 54 7.555 -8.244 4.820 1117 HA ASP 54 HA ASP 54 8.942 -5.729 5.284 1118 1HB ASP 54 1HB ASP 54 8.147 -8.178 6.715 1119 2HB ASP 54 2HB ASP 54 9.648 -7.463 7.306 1120 H SER 55 H SER 55 9.856 -8.625 3.741 1121 HA SER 55 HA SER 55 12.619 -7.744 3.472 1122 1HB SER 55 1HB SER 55 13.656 -9.365 4.869 1123 2HB SER 55 2HB SER 55 12.324 -8.739 5.836 1124 HG SER 55 HG SER 55 11.873 -10.806 5.961 1125 H GLU 56 H GLU 56 13.847 -9.226 2.054 1126 HA GLU 56 HA GLU 56 12.251 -10.390 -0.036 1127 1HB GLU 56 1HB GLU 56 15.103 -10.074 0.719 1128 2HB GLU 56 2HB GLU 56 14.754 -11.396 -0.396 1129 1HG GLU 56 1HG GLU 56 13.274 -9.514 -1.579 1130 2HG GLU 56 2HG GLU 56 14.438 -8.451 -0.787 1131 H TRP 57 H TRP 57 14.131 -11.821 2.645 1132 HA TRP 57 HA TRP 57 13.873 -14.555 2.012 1133 1HB TRP 57 1HB TRP 57 15.248 -13.801 3.831 1134 2HB TRP 57 2HB TRP 57 13.884 -13.008 4.617 1135 HD1 TRP 57 HD1 TRP 57 12.453 -14.401 6.234 1136 HE1 TRP 57 HE1 TRP 57 12.465 -16.861 7.002 1137 HE3 TRP 57 HE3 TRP 57 15.809 -16.346 2.910 1138 HZ2 TRP 57 HZ2 TRP 57 13.732 -19.328 6.301 1139 HZ3 TRP 57 HZ3 TRP 57 16.400 -18.753 2.983 1140 HH2 TRP 57 HH2 TRP 57 15.366 -20.244 4.672 1141 H GLN 58 H GLN 58 11.666 -12.573 4.028 1142 HA GLN 58 HA GLN 58 9.673 -14.558 4.448 1143 1HB GLN 58 1HB GLN 58 9.931 -12.350 5.600 1144 2HB GLN 58 2HB GLN 58 9.381 -11.551 4.127 1145 1HG GLN 58 1HG GLN 58 7.223 -12.625 4.265 1146 2HG GLN 58 2HG GLN 58 7.762 -13.644 5.601 1147 1HE2 GLN 58 1HE2 GLN 58 5.597 -12.283 6.337 1148 2HE2 GLN 58 2HE2 GLN 58 5.960 -10.901 7.254 1149 H ARG 59 H ARG 59 10.319 -12.438 1.710 1150 HA ARG 59 HA ARG 59 7.848 -12.626 0.317 1151 1HB ARG 59 1HB ARG 59 10.211 -11.374 -0.019 1152 2HB ARG 59 2HB ARG 59 10.428 -12.686 -1.177 1153 1HG ARG 59 1HG ARG 59 8.581 -12.022 -2.469 1154 2HG ARG 59 2HG ARG 59 7.881 -11.079 -1.152 1155 1HD ARG 59 1HD ARG 59 8.795 -9.363 -2.441 1156 2HD ARG 59 2HD ARG 59 10.183 -9.727 -1.395 1157 HE ARG 59 HE ARG 59 9.926 -11.255 -3.930 1158 1HH1 ARG 59 1HH2 ARG 59 11.056 -8.294 -2.745 1159 2HH1 ARG 59 2HH2 ARG 59 12.655 -8.458 -3.390 1160 1HH2 ARG 59 1HH1 ARG 59 12.176 -11.724 -4.454 1161 2HH2 ARG 59 2HH1 ARG 59 13.289 -10.400 -4.357 1162 H ASP 60 H ASP 60 10.770 -14.696 0.027 1163 HA ASP 60 HA ASP 60 9.703 -16.486 -1.918 1164 1HB ASP 60 1HB ASP 60 11.583 -17.868 -1.284 1165 2HB ASP 60 2HB ASP 60 12.094 -16.186 -1.150 1166 H GLN 61 H GLN 61 9.220 -16.290 1.557 1167 HA GLN 61 HA GLN 61 8.247 -18.959 1.996 1168 1HB GLN 61 1HB GLN 61 7.800 -16.279 3.338 1169 2HB GLN 61 2HB GLN 61 7.176 -17.791 3.997 1170 1HG GLN 61 1HG GLN 61 9.545 -18.691 3.905 1171 2HG GLN 61 2HG GLN 61 10.073 -17.052 3.523 1172 1HE2 GLN 61 1HE2 GLN 61 10.865 -16.086 5.395 1173 2HE2 GLN 61 2HE2 GLN 61 10.167 -16.225 6.936 1174 H PHE 62 H PHE 62 6.481 -15.882 1.453 1175 HA PHE 62 HA PHE 62 3.855 -16.928 1.387 1176 1HB PHE 62 1HB PHE 62 4.144 -14.585 1.429 1177 2HB PHE 62 2HB PHE 62 5.293 -14.613 0.092 1178 HD1 PHE 62 HD1 PHE 62 1.764 -14.548 1.043 1179 HD2 PHE 62 HD2 PHE 62 4.504 -15.003 -2.236 1180 HE1 PHE 62 HE1 PHE 62 -0.085 -14.143 -0.560 1181 HE2 PHE 62 HE2 PHE 62 2.655 -14.599 -3.838 1182 HZ PHE 62 HZ PHE 62 0.360 -14.169 -3.001 1183 H LEU 63 H LEU 63 6.183 -16.513 -1.302 1184 HA LEU 63 HA LEU 63 4.528 -17.507 -3.393 1185 1HB LEU 63 1HB LEU 63 7.412 -17.091 -2.825 1186 2HB LEU 63 2HB LEU 63 7.048 -18.217 -4.133 1187 HG LEU 63 HG LEU 63 5.858 -15.439 -3.925 1188 1HD1 LEU 63 1HD1 LEU 63 7.470 -14.747 -5.590 1189 2HD1 LEU 63 2HD1 LEU 63 8.101 -16.388 -5.728 1190 3HD1 LEU 63 3HD1 LEU 63 8.362 -15.466 -4.248 1191 1HD2 LEU 63 1HD2 LEU 63 4.967 -15.845 -6.070 1192 2HD2 LEU 63 2HD2 LEU 63 4.732 -17.386 -5.244 1193 3HD2 LEU 63 3HD2 LEU 63 6.072 -17.185 -6.374 1194 H SER 64 H SER 64 6.171 -19.159 -0.800 1195 HA SER 64 HA SER 64 6.025 -21.802 -2.114 1196 1HB SER 64 1HB SER 64 7.751 -22.092 -0.684 1197 2HB SER 64 2HB SER 64 7.446 -20.506 0.016 1198 HG SER 64 HG SER 64 6.877 -22.983 0.980 1199 H GLN 65 H GLN 65 4.077 -19.813 -0.065 1200 HA GLN 65 HA GLN 65 2.505 -22.105 0.979 1201 1HB GLN 65 1HB GLN 65 2.262 -19.101 1.347 1202 2HB GLN 65 2HB GLN 65 1.413 -20.325 2.291 1203 1HG GLN 65 1HG GLN 65 4.305 -20.776 2.201 1204 2HG GLN 65 2HG GLN 65 3.880 -19.224 2.924 1205 1HE2 GLN 65 1HE2 GLN 65 4.308 -19.853 5.125 1206 2HE2 GLN 65 2HE2 GLN 65 3.376 -21.018 5.935 1207 H VAL 66 H VAL 66 2.464 -19.918 -1.673 1208 HA VAL 66 HA VAL 66 -0.369 -20.704 -2.265 1209 HB VAL 66 HB VAL 66 -0.684 -18.427 -3.145 1210 1HG1 VAL 66 1HG1 VAL 66 -0.924 -19.017 -0.645 1211 2HG1 VAL 66 2HG1 VAL 66 -0.801 -17.306 -1.057 1212 3HG1 VAL 66 3HG1 VAL 66 0.604 -18.164 -0.425 1213 1HG2 VAL 66 1HG2 VAL 66 1.337 -16.847 -2.358 1214 2HG2 VAL 66 2HG2 VAL 66 1.320 -17.611 -3.948 1215 3HG2 VAL 66 3HG2 VAL 66 2.258 -18.326 -2.636 1216 H LYS 67 H LYS 67 -0.630 -21.539 -4.319 1217 HA LYS 67 HA LYS 67 1.750 -21.826 -6.032 1218 1HB LYS 67 1HB LYS 67 0.287 -23.722 -5.642 1219 2HB LYS 67 2HB LYS 67 -1.122 -22.795 -6.160 1220 1HG LYS 67 1HG LYS 67 -0.329 -24.301 -7.955 1221 2HG LYS 67 2HG LYS 67 -0.181 -22.607 -8.426 1222 1HD LYS 67 1HD LYS 67 2.199 -22.626 -7.816 1223 2HD LYS 67 2HD LYS 67 2.064 -24.307 -7.300 1224 1HE LYS 67 1HE LYS 67 2.730 -24.757 -9.451 1225 2HE LYS 67 2HE LYS 67 1.028 -24.440 -9.843 1226 1HZ LYS 67 1HZ LYS 67 2.184 -22.945 -11.183 1227 2HZ LYS 67 2HZ LYS 67 3.325 -22.583 -9.976 1228 3HZ LYS 67 3HZ LYS 67 1.734 -21.999 -9.849 1229 H ILE 68 H ILE 68 2.210 -20.294 -7.553 1230 HA ILE 68 HA ILE 68 0.126 -18.383 -8.425 1231 HB ILE 68 HB ILE 68 2.991 -18.559 -9.368 1232 1HG1 ILE 68 1HG1 ILE 68 3.245 -18.735 -7.002 1233 2HG1 ILE 68 2HG1 ILE 68 3.456 -17.021 -7.363 1234 1HG2 ILE 68 1HG2 ILE 68 2.741 -16.099 -9.441 1235 2HG2 ILE 68 2HG2 ILE 68 1.095 -16.252 -8.827 1236 3HG2 ILE 68 3HG2 ILE 68 1.507 -16.895 -10.417 1237 1HD1 ILE 68 1HD1 ILE 68 1.887 -16.715 -5.745 1238 2HD1 ILE 68 2HD1 ILE 68 1.303 -18.375 -5.865 1239 3HD1 ILE 68 3HD1 ILE 68 0.746 -17.159 -7.014 1240 HA PRO 69 HA PRO 69 -0.888 -21.369 -11.689 1241 1HB PRO 69 1HB PRO 69 -2.332 -19.567 -13.156 1242 2HB PRO 69 2HB PRO 69 -3.001 -20.432 -11.756 1243 1HG PRO 69 1HG PRO 69 -1.952 -17.653 -11.939 1244 2HG PRO 69 2HG PRO 69 -3.352 -18.277 -11.050 1245 1HD PRO 69 1HD PRO 69 -0.971 -17.706 -9.871 1246 2HD PRO 69 2HD PRO 69 -2.085 -18.950 -9.268 1247 H LYS 70 H LYS 70 -0.174 -21.503 -13.915 1248 HA LYS 70 HA LYS 70 2.279 -20.092 -14.495 1249 1HB LYS 70 1HB LYS 70 0.430 -21.987 -15.942 1250 2HB LYS 70 2HB LYS 70 1.853 -21.321 -16.744 1251 1HG LYS 70 1HG LYS 70 3.313 -22.238 -15.031 1252 2HG LYS 70 2HG LYS 70 1.923 -22.787 -14.093 1253 1HD LYS 70 1HD LYS 70 2.869 -24.660 -15.364 1254 2HD LYS 70 2HD LYS 70 1.260 -24.266 -15.973 1255 1HE LYS 70 1HE LYS 70 2.212 -24.105 -18.029 1256 2HE LYS 70 2HE LYS 70 3.001 -22.624 -17.449 1257 1HZ LYS 70 1HZ LYS 70 4.891 -23.758 -16.832 1258 2HZ LYS 70 2HZ LYS 70 4.456 -24.599 -18.243 1259 3HZ LYS 70 3HZ LYS 70 4.100 -25.254 -16.716 1260 H THR 71 H THR 71 -1.033 -19.320 -15.033 1261 HA THR 71 HA THR 71 -0.565 -17.650 -17.408 1262 HB THR 71 HB THR 71 -2.901 -18.131 -15.535 1263 HG1 THR 71 HG1 THR 71 -3.317 -19.680 -16.873 1264 1HG2 THR 71 1HG2 THR 71 -4.059 -17.068 -17.707 1265 2HG2 THR 71 2HG2 THR 71 -2.520 -16.211 -17.781 1266 3HG2 THR 71 3HG2 THR 71 -3.536 -16.077 -16.346 1267 H ILE 72 H ILE 72 -0.442 -17.283 -13.960 1268 HA ILE 72 HA ILE 72 -0.732 -14.331 -14.101 1269 HB ILE 72 HB ILE 72 -0.461 -16.403 -11.915 1270 1HG1 ILE 72 1HG1 ILE 72 -2.615 -14.402 -12.674 1271 2HG1 ILE 72 2HG1 ILE 72 -2.669 -16.141 -12.969 1272 1HG2 ILE 72 1HG2 ILE 72 -0.719 -13.411 -11.514 1273 2HG2 ILE 72 2HG2 ILE 72 0.810 -14.277 -11.373 1274 3HG2 ILE 72 3HG2 ILE 72 -0.516 -14.644 -10.269 1275 1HD1 ILE 72 1HD1 ILE 72 -2.959 -14.644 -10.396 1276 2HD1 ILE 72 2HD1 ILE 72 -2.223 -16.246 -10.348 1277 3HD1 ILE 72 3HD1 ILE 72 -3.856 -16.044 -10.985 1278 H THR 73 H THR 73 1.051 -13.084 -14.394 1279 HA THR 73 HA THR 73 3.754 -14.275 -14.067 1280 HB THR 73 HB THR 73 2.656 -11.722 -15.277 1281 HG1 THR 73 HG1 THR 73 4.039 -13.279 -16.926 1282 1HG2 THR 73 1HG2 THR 73 5.394 -12.391 -15.987 1283 2HG2 THR 73 2HG2 THR 73 5.232 -12.104 -14.254 1284 3HG2 THR 73 3HG2 THR 73 4.734 -10.863 -15.404 1285 H VAL 74 H VAL 74 5.152 -13.646 -12.440 1286 HA VAL 74 HA VAL 74 4.096 -11.875 -10.321 1287 HB VAL 74 HB VAL 74 6.574 -13.602 -10.609 1288 1HG1 VAL 74 1HG1 VAL 74 7.020 -11.838 -9.005 1289 2HG1 VAL 74 2HG1 VAL 74 6.703 -13.327 -8.113 1290 3HG1 VAL 74 3HG1 VAL 74 5.453 -12.086 -8.234 1291 1HG2 VAL 74 1HG2 VAL 74 4.075 -14.035 -8.951 1292 2HG2 VAL 74 2HG2 VAL 74 5.382 -15.184 -9.231 1293 3HG2 VAL 74 3HG2 VAL 74 4.306 -14.732 -10.554 1294 H SER 75 H SER 75 5.798 -10.356 -9.303 1295 HA SER 75 HA SER 75 7.589 -9.113 -11.344 1296 1HB SER 75 1HB SER 75 5.081 -8.089 -10.203 1297 2HB SER 75 2HB SER 75 6.421 -6.949 -10.103 1298 HG SER 75 HG SER 75 5.626 -8.352 -12.443 1299 H THR 76 H THR 76 9.291 -7.832 -10.389 1300 HA THR 76 HA THR 76 9.532 -8.023 -7.408 1301 HB THR 76 HB THR 76 11.935 -8.618 -7.826 1302 HG1 THR 76 HG1 THR 76 11.090 -9.001 -10.497 1303 1HG2 THR 76 1HG2 THR 76 9.877 -10.425 -9.125 1304 2HG2 THR 76 2HG2 THR 76 10.287 -10.388 -7.410 1305 3HG2 THR 76 3HG2 THR 76 11.479 -10.931 -8.591 1306 H GLY 77 H GLY 77 10.253 -6.108 -6.482 1307 1HA GLY 77 1HA GLY 77 11.980 -4.232 -7.802 1308 2HA GLY 77 2HA GLY 77 10.308 -3.680 -7.915 1309 H PHE 78 H PHE 78 11.492 -1.906 -6.545 1310 HA PHE 78 HA PHE 78 10.846 -2.471 -3.697 1311 1HB PHE 78 1HB PHE 78 13.482 -1.298 -4.635 1312 2HB PHE 78 2HB PHE 78 13.041 -1.715 -2.979 1313 HD1 PHE 78 HD1 PHE 78 14.603 -2.876 -5.956 1314 HD2 PHE 78 HD2 PHE 78 12.314 -4.208 -2.572 1315 HE1 PHE 78 HE1 PHE 78 15.410 -5.192 -6.322 1316 HE2 PHE 78 HE2 PHE 78 13.121 -6.525 -2.938 1317 HZ PHE 78 HZ PHE 78 14.669 -7.017 -4.813 1318 H MET 79 H MET 79 10.316 -0.551 -2.531 1319 HA MET 79 HA MET 79 10.064 1.918 -4.219 1320 1HB MET 79 1HB MET 79 8.330 0.777 -2.004 1321 2HB MET 79 2HB MET 79 8.046 2.335 -2.782 1322 1HG MET 79 1HG MET 79 7.965 1.112 -4.994 1323 2HG MET 79 2HG MET 79 7.997 -0.398 -4.086 1324 1HE MET 79 1HE MET 79 5.118 -0.297 -5.770 1325 2HE MET 79 2HE MET 79 4.598 1.384 -5.680 1326 3HE MET 79 3HE MET 79 6.259 0.992 -6.145 1327 H SER 80 H SER 80 9.856 3.936 -2.725 1328 HA SER 80 HA SER 80 11.577 3.687 -0.292 1329 1HB SER 80 1HB SER 80 13.254 4.547 -1.558 1330 2HB SER 80 2HB SER 80 12.154 4.924 -2.880 1331 HG SER 80 HG SER 80 11.652 6.839 -1.904 1332 H ILE 81 H ILE 81 10.102 4.373 1.248 1333 HA ILE 81 HA ILE 81 8.999 7.116 0.964 1334 HB ILE 81 HB ILE 81 7.279 4.694 1.590 1335 1HG1 ILE 81 1HG1 ILE 81 7.558 6.261 -0.998 1336 2HG1 ILE 81 2HG1 ILE 81 8.062 4.590 -0.743 1337 1HG2 ILE 81 1HG2 ILE 81 5.518 6.160 1.778 1338 2HG2 ILE 81 2HG2 ILE 81 6.201 7.295 0.613 1339 3HG2 ILE 81 3HG2 ILE 81 6.811 7.254 2.268 1340 1HD1 ILE 81 1HD1 ILE 81 5.322 4.924 0.100 1341 2HD1 ILE 81 2HD1 ILE 81 5.978 3.844 -1.129 1342 3HD1 ILE 81 3HD1 ILE 81 5.514 5.489 -1.559 Start of MODEL 2 1 1H MET 1 1H MET 1 14.507 1.159 -16.176 2 2H MET 1 2H MET 1 14.881 -0.442 -15.744 3 3H MET 1 3H MET 1 15.631 0.855 -14.943 4 HA MET 1 HA MET 1 13.094 -0.385 -14.419 5 1HB MET 1 1HB MET 1 15.043 1.499 -13.062 6 2HB MET 1 2HB MET 1 13.606 0.860 -12.259 7 1HG MET 1 1HG MET 1 15.230 -1.188 -13.617 8 2HG MET 1 2HG MET 1 16.059 -0.381 -12.286 9 1HE MET 1 1HE MET 1 15.625 -0.184 -10.282 10 2HE MET 1 2HE MET 1 14.122 -0.469 -9.407 11 3HE MET 1 3HE MET 1 15.365 -1.726 -9.470 12 H THR 2 H THR 2 11.098 0.632 -14.286 13 HA THR 2 HA THR 2 10.852 3.304 -15.520 14 HB THR 2 HB THR 2 9.415 1.296 -16.045 15 HG1 THR 2 HG1 THR 2 7.425 2.544 -15.820 16 1HG2 THR 2 1HG2 THR 2 9.335 0.626 -13.566 17 2HG2 THR 2 2HG2 THR 2 7.828 0.496 -14.473 18 3HG2 THR 2 3HG2 THR 2 8.092 1.864 -13.393 19 HA PRO 3 HA PRO 3 10.852 5.220 -11.504 20 1HB PRO 3 1HB PRO 3 9.957 7.676 -12.299 21 2HB PRO 3 2HB PRO 3 11.635 7.144 -12.528 22 1HG PRO 3 1HG PRO 3 9.397 7.241 -14.485 23 2HG PRO 3 2HG PRO 3 11.115 7.605 -14.713 24 1HD PRO 3 1HD PRO 3 9.948 5.265 -15.492 25 2HD PRO 3 2HD PRO 3 11.661 5.419 -15.071 26 H ILE 4 H ILE 4 9.178 5.836 -9.991 27 HA ILE 4 HA ILE 4 6.371 5.835 -11.003 28 HB ILE 4 HB ILE 4 5.846 4.143 -9.205 29 1HG1 ILE 4 1HG1 ILE 4 8.799 3.561 -9.132 30 2HG1 ILE 4 2HG1 ILE 4 8.113 4.759 -8.034 31 1HG2 ILE 4 1HG2 ILE 4 6.935 2.222 -10.448 32 2HG2 ILE 4 2HG2 ILE 4 7.814 3.422 -11.393 33 3HG2 ILE 4 3HG2 ILE 4 6.055 3.354 -11.471 34 1HD1 ILE 4 1HD1 ILE 4 8.132 2.573 -6.942 35 2HD1 ILE 4 2HD1 ILE 4 7.249 1.864 -8.294 36 3HD1 ILE 4 3HD1 ILE 4 6.466 3.058 -7.260 37 H VAL 5 H VAL 5 4.839 6.568 -9.261 38 HA VAL 5 HA VAL 5 6.126 8.010 -6.991 39 HB VAL 5 HB VAL 5 4.286 9.272 -9.050 40 1HG1 VAL 5 1HG1 VAL 5 5.520 11.296 -7.689 41 2HG1 VAL 5 2HG1 VAL 5 5.346 10.089 -6.415 42 3HG1 VAL 5 3HG1 VAL 5 3.924 10.665 -7.285 43 1HG2 VAL 5 1HG2 VAL 5 6.436 10.630 -9.504 44 2HG2 VAL 5 2HG2 VAL 5 6.378 8.984 -10.137 45 3HG2 VAL 5 3HG2 VAL 5 7.283 9.331 -8.663 46 H HIS 6 H HIS 6 4.811 7.984 -5.181 47 HA HIS 6 HA HIS 6 2.073 6.818 -5.493 48 1HB HIS 6 1HB HIS 6 4.309 6.609 -3.608 49 2HB HIS 6 2HB HIS 6 2.764 6.861 -2.798 50 HD1 HIS 6 HD1 HIS 6 2.800 4.367 -1.956 51 HD2 HIS 6 HD2 HIS 6 2.711 4.785 -6.103 52 HE1 HIS 6 HE1 HIS 6 2.224 2.085 -2.895 53 H LEU 7 H LEU 7 0.322 8.133 -5.043 54 HA LEU 7 HA LEU 7 0.875 10.744 -3.664 55 1HB LEU 7 1HB LEU 7 -0.657 9.950 -6.111 56 2HB LEU 7 2HB LEU 7 -1.242 11.326 -5.175 57 HG LEU 7 HG LEU 7 1.521 11.721 -5.336 58 1HD1 LEU 7 1HD1 LEU 7 1.355 9.904 -7.164 59 2HD1 LEU 7 2HD1 LEU 7 2.155 11.413 -7.602 60 3HD1 LEU 7 3HD1 LEU 7 0.493 11.117 -8.111 61 1HD2 LEU 7 1HD2 LEU 7 0.559 13.367 -7.257 62 2HD2 LEU 7 2HD2 LEU 7 0.308 13.660 -5.536 63 3HD2 LEU 7 3HD2 LEU 7 -0.957 12.891 -6.492 64 H LYS 8 H LYS 8 -0.521 11.300 -2.005 65 HA LYS 8 HA LYS 8 -2.993 9.676 -1.602 66 1HB LYS 8 1HB LYS 8 -1.296 8.548 -0.324 67 2HB LYS 8 2HB LYS 8 -0.665 10.074 0.296 68 1HG LYS 8 1HG LYS 8 -2.697 10.461 1.568 69 2HG LYS 8 2HG LYS 8 -3.458 9.038 0.854 70 1HD LYS 8 1HD LYS 8 -1.721 7.605 1.878 71 2HD LYS 8 2HD LYS 8 -0.991 9.031 2.617 72 1HE LYS 8 1HE LYS 8 -3.077 9.468 3.866 73 2HE LYS 8 2HE LYS 8 -3.818 8.035 3.126 74 1HZ LYS 8 1HZ LYS 8 -1.816 6.782 3.955 75 2HZ LYS 8 2HZ LYS 8 -2.901 7.302 5.156 76 3HZ LYS 8 3HZ LYS 8 -1.445 8.141 4.901 77 H GLY 9 H GLY 9 -4.310 10.697 0.258 78 1HA GLY 9 1HA GLY 9 -4.072 13.097 1.492 79 2HA GLY 9 2HA GLY 9 -4.382 13.610 -0.167 80 H ASP 10 H ASP 10 -6.396 14.550 0.732 81 HA ASP 10 HA ASP 10 -8.463 12.970 1.934 82 1HB ASP 10 1HB ASP 10 -8.158 15.505 1.809 83 2HB ASP 10 2HB ASP 10 -8.785 15.405 0.162 84 H ALA 11 H ALA 11 -9.857 11.521 1.002 85 HA ALA 11 HA ALA 11 -9.615 10.453 -1.570 86 1HB ALA 11 1HB ALA 11 -11.862 10.697 0.423 87 2HB ALA 11 2HB ALA 11 -12.118 9.856 -1.106 88 3HB ALA 11 3HB ALA 11 -10.893 9.279 0.024 89 H ASN 12 H ASN 12 -11.397 13.329 -0.551 90 HA ASN 12 HA ASN 12 -12.766 13.632 -3.135 91 1HB ASN 12 1HB ASN 12 -13.668 14.298 -0.879 92 2HB ASN 12 2HB ASN 12 -12.437 15.559 -0.814 93 1HD2 ASN 12 1HD2 ASN 12 -14.986 16.526 -0.735 94 2HD2 ASN 12 2HD2 ASN 12 -15.444 17.186 -2.231 95 H THR 13 H THR 13 -10.186 15.394 -1.372 96 HA THR 13 HA THR 13 -9.630 17.349 -3.347 97 HB THR 13 HB THR 13 -7.825 15.931 -1.363 98 HG1 THR 13 HG1 THR 13 -9.831 17.135 -0.727 99 1HG2 THR 13 1HG2 THR 13 -7.046 18.615 -1.749 100 2HG2 THR 13 2HG2 THR 13 -7.275 17.939 -3.362 101 3HG2 THR 13 3HG2 THR 13 -6.163 17.167 -2.233 102 H LEU 14 H LEU 14 -9.081 13.952 -3.427 103 HA LEU 14 HA LEU 14 -6.811 14.038 -5.285 104 1HB LEU 14 1HB LEU 14 -8.675 11.900 -4.222 105 2HB LEU 14 2HB LEU 14 -7.364 11.546 -5.348 106 HG LEU 14 HG LEU 14 -7.038 12.870 -2.640 107 1HD1 LEU 14 1HD1 LEU 14 -7.604 10.311 -2.890 108 2HD1 LEU 14 2HD1 LEU 14 -6.300 10.816 -1.815 109 3HD1 LEU 14 3HD1 LEU 14 -5.927 10.192 -3.421 110 1HD2 LEU 14 1HD2 LEU 14 -4.568 12.230 -3.250 111 2HD2 LEU 14 2HD2 LEU 14 -5.269 13.694 -3.941 112 3HD2 LEU 14 3HD2 LEU 14 -5.168 12.222 -4.908 113 H LYS 15 H LYS 15 -10.329 13.697 -5.484 114 HA LYS 15 HA LYS 15 -10.569 12.775 -8.162 115 1HB LYS 15 1HB LYS 15 -12.387 12.918 -6.497 116 2HB LYS 15 2HB LYS 15 -12.298 14.679 -6.547 117 1HG LYS 15 1HG LYS 15 -12.940 14.688 -8.900 118 2HG LYS 15 2HG LYS 15 -12.922 12.925 -8.939 119 1HD LYS 15 1HD LYS 15 -14.704 14.531 -7.089 120 2HD LYS 15 2HD LYS 15 -15.223 13.938 -8.667 121 1HE LYS 15 1HE LYS 15 -14.620 11.605 -7.922 122 2HE LYS 15 2HE LYS 15 -14.320 12.262 -6.301 123 1HZ LYS 15 1HZ LYS 15 -16.672 13.392 -6.936 124 2HZ LYS 15 2HZ LYS 15 -16.515 11.965 -6.026 125 3HZ LYS 15 3HZ LYS 15 -16.828 11.882 -7.693 126 H CYS 16 H CYS 16 -10.106 16.051 -6.860 127 HA CYS 16 HA CYS 16 -10.473 17.437 -9.369 128 1HB CYS 16 1HB CYS 16 -10.434 18.179 -6.825 129 2HB CYS 16 2HB CYS 16 -8.717 18.425 -7.143 130 HG CYS 16 HG CYS 16 -9.470 20.035 -9.155 131 H LEU 17 H LEU 17 -7.673 16.009 -7.721 132 HA LEU 17 HA LEU 17 -5.584 17.123 -9.293 133 1HB LEU 17 1HB LEU 17 -6.059 14.625 -7.700 134 2HB LEU 17 2HB LEU 17 -4.584 14.744 -8.660 135 HG LEU 17 HG LEU 17 -5.427 16.972 -6.807 136 1HD1 LEU 17 1HD1 LEU 17 -5.295 15.152 -5.299 137 2HD1 LEU 17 2HD1 LEU 17 -3.691 15.883 -5.235 138 3HD1 LEU 17 3HD1 LEU 17 -3.955 14.414 -6.176 139 1HD2 LEU 17 1HD2 LEU 17 -3.703 17.604 -8.342 140 2HD2 LEU 17 2HD2 LEU 17 -2.853 16.073 -8.126 141 3HD2 LEU 17 3HD2 LEU 17 -2.882 17.259 -6.820 142 H ARG 18 H ARG 18 -7.361 14.042 -9.758 143 HA ARG 18 HA ARG 18 -6.170 13.079 -12.079 144 1HB ARG 18 1HB ARG 18 -8.030 12.063 -10.749 145 2HB ARG 18 2HB ARG 18 -9.141 13.231 -11.466 146 1HG ARG 18 1HG ARG 18 -8.356 12.362 -13.741 147 2HG ARG 18 2HG ARG 18 -7.606 11.032 -12.860 148 1HD ARG 18 1HD ARG 18 -9.696 10.220 -12.075 149 2HD ARG 18 2HD ARG 18 -10.522 11.739 -12.475 150 HE ARG 18 HE ARG 18 -9.248 10.286 -14.718 151 1HH1 ARG 18 1HH1 ARG 18 -12.048 10.343 -12.793 152 2HH1 ARG 18 2HH1 ARG 18 -13.155 10.330 -14.125 153 1HH2 ARG 18 1HH2 ARG 18 -10.671 10.634 -16.527 154 2HH2 ARG 18 2HH2 ARG 18 -12.374 10.493 -16.242 155 H TYR 19 H TYR 19 -8.343 15.834 -11.738 156 HA TYR 19 HA TYR 19 -8.992 16.221 -14.504 157 1HB TYR 19 1HB TYR 19 -10.089 17.226 -12.474 158 2HB TYR 19 2HB TYR 19 -8.676 18.263 -12.281 159 HD1 TYR 19 HD1 TYR 19 -11.809 17.786 -14.001 160 HD2 TYR 19 HD2 TYR 19 -8.027 19.811 -14.205 161 HE1 TYR 19 HE1 TYR 19 -12.756 19.386 -15.645 162 HE2 TYR 19 HE2 TYR 19 -8.970 21.409 -15.849 163 HH TYR 19 HH TYR 19 -10.811 22.096 -16.898 164 H ARG 20 H ARG 20 -6.406 17.638 -12.466 165 HA ARG 20 HA ARG 20 -5.238 19.307 -14.455 166 1HB ARG 20 1HB ARG 20 -4.472 18.032 -11.875 167 2HB ARG 20 2HB ARG 20 -3.152 18.643 -12.871 168 1HG ARG 20 1HG ARG 20 -5.454 20.473 -12.650 169 2HG ARG 20 2HG ARG 20 -4.605 20.182 -11.132 170 1HD ARG 20 1HD ARG 20 -3.175 21.808 -11.875 171 2HD ARG 20 2HD ARG 20 -2.514 20.523 -12.906 172 HE ARG 20 HE ARG 20 -4.756 21.466 -14.281 173 1HH1 ARG 20 1HH1 ARG 20 -1.808 21.686 -15.137 174 2HH1 ARG 20 2HH1 ARG 20 -1.680 23.392 -15.407 175 1HH2 ARG 20 1HH2 ARG 20 -4.611 24.147 -13.714 176 2HH2 ARG 20 2HH2 ARG 20 -3.267 24.786 -14.600 177 H PHE 21 H PHE 21 -4.792 15.865 -13.741 178 HA PHE 21 HA PHE 21 -2.481 15.434 -15.392 179 1HB PHE 21 1HB PHE 21 -4.733 13.525 -14.687 180 2HB PHE 21 2HB PHE 21 -3.066 13.097 -15.069 181 HD1 PHE 21 HD1 PHE 21 -2.111 15.750 -13.492 182 HD2 PHE 21 HD2 PHE 21 -4.462 12.289 -12.517 183 HE1 PHE 21 HE1 PHE 21 -1.495 16.004 -11.103 184 HE2 PHE 21 HE2 PHE 21 -3.848 12.544 -10.127 185 HZ PHE 21 HZ PHE 21 -2.364 14.401 -9.421 186 H LYS 22 H LYS 22 -5.873 15.813 -16.134 187 HA LYS 22 HA LYS 22 -5.986 14.429 -18.635 188 1HB LYS 22 1HB LYS 22 -7.446 16.770 -17.399 189 2HB LYS 22 2HB LYS 22 -7.895 16.128 -18.980 190 1HG LYS 22 1HG LYS 22 -7.808 14.571 -16.380 191 2HG LYS 22 2HG LYS 22 -9.261 15.070 -17.246 192 1HD LYS 22 1HD LYS 22 -8.139 13.780 -19.257 193 2HD LYS 22 2HD LYS 22 -7.258 12.958 -17.969 194 1HE LYS 22 1HE LYS 22 -9.184 11.972 -17.095 195 2HE LYS 22 2HE LYS 22 -10.247 13.236 -17.745 196 1HZ LYS 22 1HZ LYS 22 -8.888 11.049 -19.202 197 2HZ LYS 22 2HZ LYS 22 -9.419 12.448 -20.007 198 3HZ LYS 22 3HZ LYS 22 -10.536 11.450 -19.203 199 H LYS 23 H LYS 23 -4.775 17.622 -17.751 200 HA LYS 23 HA LYS 23 -4.608 18.638 -20.471 201 1HB LYS 23 1HB LYS 23 -3.460 19.380 -17.773 202 2HB LYS 23 2HB LYS 23 -3.074 20.301 -19.228 203 1HG LYS 23 1HG LYS 23 -5.952 19.721 -18.738 204 2HG LYS 23 2HG LYS 23 -5.184 20.897 -17.669 205 1HD LYS 23 1HD LYS 23 -4.224 21.720 -20.078 206 2HD LYS 23 2HD LYS 23 -5.803 21.095 -20.556 207 1HE LYS 23 1HE LYS 23 -6.472 22.489 -18.298 208 2HE LYS 23 2HE LYS 23 -5.148 23.483 -18.941 209 1HZ LYS 23 1HZ LYS 23 -7.152 22.404 -20.796 210 2HZ LYS 23 2HZ LYS 23 -6.225 23.822 -20.918 211 3HZ LYS 23 3HZ LYS 23 -7.560 23.764 -19.870 212 H HIS 24 H HIS 24 -2.213 17.318 -18.159 213 HA HIS 24 HA HIS 24 -0.182 17.200 -20.325 214 1HB HIS 24 1HB HIS 24 0.131 16.331 -17.449 215 2HB HIS 24 2HB HIS 24 1.358 16.977 -18.539 216 HD1 HIS 24 HD1 HIS 24 1.403 19.550 -18.910 217 HD2 HIS 24 HD2 HIS 24 -1.519 18.298 -16.214 218 HE1 HIS 24 HE1 HIS 24 0.558 21.636 -17.749 219 H CYS 25 H CYS 25 -2.418 15.421 -20.619 220 HA CYS 25 HA CYS 25 -2.088 12.813 -19.570 221 1HB CYS 25 1HB CYS 25 -3.356 12.175 -21.632 222 2HB CYS 25 2HB CYS 25 -4.039 13.590 -20.830 223 HG CYS 25 HG CYS 25 -3.462 14.992 -22.799 224 H THR 26 H THR 26 -0.157 14.541 -21.875 225 HA THR 26 HA THR 26 1.115 12.055 -22.901 226 HB THR 26 HB THR 26 1.467 14.998 -23.564 227 HG1 THR 26 HG1 THR 26 0.255 13.099 -25.220 228 1HG2 THR 26 1HG2 THR 26 3.426 14.024 -24.348 229 2HG2 THR 26 2HG2 THR 26 2.361 13.812 -25.739 230 3HG2 THR 26 3HG2 THR 26 2.655 12.464 -24.640 231 H LEU 27 H LEU 27 1.439 13.826 -20.181 232 HA LEU 27 HA LEU 27 4.390 14.112 -20.196 233 1HB LEU 27 1HB LEU 27 2.148 15.330 -18.956 234 2HB LEU 27 2HB LEU 27 3.080 14.575 -17.664 235 HG LEU 27 HG LEU 27 5.143 15.672 -18.675 236 1HD1 LEU 27 1HD1 LEU 27 3.186 16.389 -20.647 237 2HD1 LEU 27 2HD1 LEU 27 4.917 16.725 -20.649 238 3HD1 LEU 27 3HD1 LEU 27 3.799 17.864 -19.899 239 1HD2 LEU 27 1HD2 LEU 27 3.167 16.651 -16.928 240 2HD2 LEU 27 2HD2 LEU 27 3.550 18.002 -17.995 241 3HD2 LEU 27 3HD2 LEU 27 4.831 17.222 -17.065 242 H TYR 28 H TYR 28 2.119 11.700 -19.497 243 HA TYR 28 HA TYR 28 4.139 10.176 -17.912 244 1HB TYR 28 1HB TYR 28 2.321 9.520 -16.356 245 2HB TYR 28 2HB TYR 28 2.553 11.267 -16.363 246 HD1 TYR 28 HD1 TYR 28 0.691 12.642 -16.646 247 HD2 TYR 28 HD2 TYR 28 0.573 8.617 -18.145 248 HE1 TYR 28 HE1 TYR 28 -1.679 12.957 -17.307 249 HE2 TYR 28 HE2 TYR 28 -1.796 8.933 -18.806 250 HH TYR 28 HH TYR 28 -3.737 11.177 -17.661 251 H THR 29 H THR 29 3.005 7.810 -17.609 252 HA THR 29 HA THR 29 2.388 6.929 -20.380 253 HB THR 29 HB THR 29 3.370 5.712 -17.811 254 HG1 THR 29 HG1 THR 29 4.162 5.562 -20.529 255 1HG2 THR 29 1HG2 THR 29 3.197 3.518 -19.387 256 2HG2 THR 29 2HG2 THR 29 1.731 4.363 -19.884 257 3HG2 THR 29 3HG2 THR 29 1.974 3.941 -18.189 258 H ALA 30 H ALA 30 1.153 6.030 -17.102 259 HA ALA 30 HA ALA 30 -1.607 6.436 -17.998 260 1HB ALA 30 1HB ALA 30 -0.173 3.865 -17.961 261 2HB ALA 30 2HB ALA 30 -1.679 3.834 -17.043 262 3HB ALA 30 3HB ALA 30 -1.695 4.284 -18.748 263 H VAL 31 H VAL 31 -2.931 6.693 -16.214 264 HA VAL 31 HA VAL 31 -1.598 6.986 -13.593 265 HB VAL 31 HB VAL 31 -3.016 8.770 -14.477 266 1HG1 VAL 31 1HG1 VAL 31 -4.658 6.534 -15.252 267 2HG1 VAL 31 2HG1 VAL 31 -4.802 8.224 -15.732 268 3HG1 VAL 31 3HG1 VAL 31 -5.614 7.649 -14.276 269 1HG2 VAL 31 1HG2 VAL 31 -4.091 9.219 -12.489 270 2HG2 VAL 31 2HG2 VAL 31 -3.109 7.856 -11.953 271 3HG2 VAL 31 3HG2 VAL 31 -4.800 7.607 -12.387 272 H SER 32 H SER 32 -1.499 5.101 -12.407 273 HA SER 32 HA SER 32 -3.079 2.789 -12.693 274 1HB SER 32 1HB SER 32 -1.651 2.158 -11.049 275 2HB SER 32 2HB SER 32 -1.050 3.812 -11.029 276 HG SER 32 HG SER 32 -2.660 4.298 -9.495 277 H SER 33 H SER 33 -5.025 2.098 -11.714 278 HA SER 33 HA SER 33 -7.049 4.031 -11.188 279 1HB SER 33 1HB SER 33 -7.169 1.548 -11.860 280 2HB SER 33 2HB SER 33 -6.969 1.192 -10.148 281 HG SER 33 HG SER 33 -8.813 2.562 -9.790 282 H THR 34 H THR 34 -8.162 4.395 -9.095 283 HA THR 34 HA THR 34 -6.352 5.089 -6.966 284 HB THR 34 HB THR 34 -9.360 4.722 -6.867 285 HG1 THR 34 HG1 THR 34 -9.388 6.164 -8.372 286 1HG2 THR 34 1HG2 THR 34 -9.013 5.507 -4.779 287 2HG2 THR 34 2HG2 THR 34 -8.602 7.045 -5.539 288 3HG2 THR 34 3HG2 THR 34 -7.329 5.894 -5.128 289 H TRP 35 H TRP 35 -5.480 3.696 -5.482 290 HA TRP 35 HA TRP 35 -7.147 1.463 -4.437 291 1HB TRP 35 1HB TRP 35 -5.521 -0.183 -5.037 292 2HB TRP 35 2HB TRP 35 -5.714 0.813 -6.479 293 HD1 TRP 35 HD1 TRP 35 -3.666 2.139 -7.326 294 HE1 TRP 35 HE1 TRP 35 -1.217 2.359 -6.552 295 HE3 TRP 35 HE3 TRP 35 -3.964 -0.183 -2.784 296 HZ2 TRP 35 HZ2 TRP 35 0.401 1.646 -4.306 297 HZ3 TRP 35 HZ3 TRP 35 -1.954 -0.398 -1.349 298 HH2 TRP 35 HH2 TRP 35 0.226 0.513 -2.104 299 H HIS 36 H HIS 36 -6.028 0.477 -2.467 300 HA HIS 36 HA HIS 36 -3.838 2.010 -1.268 301 1HB HIS 36 1HB HIS 36 -6.068 3.320 -1.082 302 2HB HIS 36 2HB HIS 36 -6.516 2.107 0.115 303 HD1 HIS 36 HD1 HIS 36 -5.802 2.638 2.448 304 HD2 HIS 36 HD2 HIS 36 -3.360 4.496 -0.367 305 HE1 HIS 36 HE1 HIS 36 -4.156 4.055 3.753 306 H TRP 37 H TRP 37 -3.945 1.333 1.279 307 HA TRP 37 HA TRP 37 -3.599 -1.574 1.274 308 1HB TRP 37 1HB TRP 37 -3.424 0.529 3.457 309 2HB TRP 37 2HB TRP 37 -2.827 -1.127 3.588 310 HD1 TRP 37 HD1 TRP 37 -1.383 2.031 3.168 311 HE1 TRP 37 HE1 TRP 37 0.713 2.019 1.664 312 HE3 TRP 37 HE3 TRP 37 -1.982 -2.484 0.855 313 HZ2 TRP 37 HZ2 TRP 37 1.969 0.318 -0.264 314 HZ3 TRP 37 HZ3 TRP 37 -0.323 -3.275 -0.809 315 HH2 TRP 37 HH2 TRP 37 1.649 -1.881 -1.370 316 H THR 38 H THR 38 -5.583 -2.643 1.168 317 HA THR 38 HA THR 38 -7.327 -2.438 3.554 318 HB THR 38 HB THR 38 -8.293 -0.771 2.116 319 HG1 THR 38 HG1 THR 38 -9.561 -2.914 2.784 320 1HG2 THR 38 1HG2 THR 38 -8.841 -1.272 -0.252 321 2HG2 THR 38 2HG2 THR 38 -8.062 -2.845 -0.081 322 3HG2 THR 38 3HG2 THR 38 -7.108 -1.369 0.061 323 H GLY 39 H GLY 39 -8.305 -4.428 3.986 324 1HA GLY 39 1HA GLY 39 -7.339 -6.761 2.609 325 2HA GLY 39 2HA GLY 39 -8.607 -6.754 3.835 326 H HIS 40 H HIS 40 -10.325 -4.881 2.382 327 HA HIS 40 HA HIS 40 -10.907 -5.787 -0.268 328 1HB HIS 40 1HB HIS 40 -11.986 -7.746 0.095 329 2HB HIS 40 2HB HIS 40 -11.398 -7.672 1.753 330 HD1 HIS 40 HD1 HIS 40 -14.386 -6.565 -0.328 331 HD2 HIS 40 HD2 HIS 40 -13.407 -7.330 3.652 332 HE1 HIS 40 HE1 HIS 40 -16.546 -6.403 0.986 333 H ASN 41 H ASN 41 -12.078 -4.481 2.787 334 HA ASN 41 HA ASN 41 -13.351 -2.221 1.531 335 1HB ASN 41 1HB ASN 41 -14.811 -4.255 0.944 336 2HB ASN 41 2HB ASN 41 -15.242 -4.302 2.655 337 1HD2 ASN 41 1HD2 ASN 41 -15.210 -2.035 -0.148 338 2HD2 ASN 41 2HD2 ASN 41 -16.566 -1.152 0.363 339 H VAL 42 H VAL 42 -12.817 -0.787 3.153 340 HA VAL 42 HA VAL 42 -13.537 -1.543 5.967 341 HB VAL 42 HB VAL 42 -11.456 0.061 6.387 342 1HG1 VAL 42 1HG1 VAL 42 -10.779 -2.672 5.348 343 2HG1 VAL 42 2HG1 VAL 42 -11.843 -2.521 6.745 344 3HG1 VAL 42 3HG1 VAL 42 -10.209 -1.861 6.807 345 1HG2 VAL 42 1HG2 VAL 42 -9.858 0.132 4.664 346 2HG2 VAL 42 2HG2 VAL 42 -11.368 0.374 3.787 347 3HG2 VAL 42 3HG2 VAL 42 -10.595 -1.212 3.793 348 H LYS 43 H LYS 43 -13.374 0.670 7.333 349 HA LYS 43 HA LYS 43 -15.335 2.495 6.102 350 1HB LYS 43 1HB LYS 43 -13.989 2.364 8.821 351 2HB LYS 43 2HB LYS 43 -15.327 3.438 8.413 352 1HG LYS 43 1HG LYS 43 -16.778 1.539 7.957 353 2HG LYS 43 2HG LYS 43 -15.439 0.416 8.195 354 1HD LYS 43 1HD LYS 43 -15.285 1.666 10.545 355 2HD LYS 43 2HD LYS 43 -16.992 1.970 10.220 356 1HE LYS 43 1HE LYS 43 -16.837 -0.675 9.566 357 2HE LYS 43 2HE LYS 43 -15.632 -0.581 10.866 358 1HZ LYS 43 1HZ LYS 43 -18.000 -0.900 11.614 359 2HZ LYS 43 2HZ LYS 43 -18.310 0.677 11.063 360 3HZ LYS 43 3HZ LYS 43 -17.188 0.416 12.311 361 H HIS 44 H HIS 44 -12.080 2.805 7.584 362 HA HIS 44 HA HIS 44 -11.486 5.456 7.382 363 1HB HIS 44 1HB HIS 44 -10.027 2.922 6.940 364 2HB HIS 44 2HB HIS 44 -9.227 4.356 6.294 365 HD1 HIS 44 HD1 HIS 44 -10.025 2.621 9.459 366 HD2 HIS 44 HD2 HIS 44 -8.713 6.407 8.311 367 HE1 HIS 44 HE1 HIS 44 -9.168 3.750 11.559 368 H LYS 45 H LYS 45 -11.127 6.986 5.777 369 HA LYS 45 HA LYS 45 -12.132 6.393 3.089 370 1HB LYS 45 1HB LYS 45 -10.892 8.877 4.320 371 2HB LYS 45 2HB LYS 45 -11.818 8.823 2.819 372 1HG LYS 45 1HG LYS 45 -13.802 8.059 4.037 373 2HG LYS 45 2HG LYS 45 -12.886 8.029 5.543 374 1HD LYS 45 1HD LYS 45 -12.414 10.502 5.169 375 2HD LYS 45 2HD LYS 45 -13.608 10.447 3.872 376 1HE LYS 45 1HE LYS 45 -15.112 10.923 5.529 377 2HE LYS 45 2HE LYS 45 -14.945 9.208 5.959 378 1HZ LYS 45 1HZ LYS 45 -13.297 11.457 6.990 379 2HZ LYS 45 2HZ LYS 45 -13.008 9.815 7.324 380 3HZ LYS 45 3HZ LYS 45 -14.433 10.560 7.875 381 H SER 46 H SER 46 -9.736 4.908 3.656 382 HA SER 46 HA SER 46 -7.301 6.053 2.821 383 1HB SER 46 1HB SER 46 -7.324 3.483 1.781 384 2HB SER 46 2HB SER 46 -6.920 3.903 3.443 385 HG SER 46 HG SER 46 -8.559 2.438 3.558 386 H ALA 47 H ALA 47 -6.431 6.531 0.785 387 HA ALA 47 HA ALA 47 -7.623 5.608 -1.700 388 1HB ALA 47 1HB ALA 47 -9.344 7.183 -1.019 389 2HB ALA 47 2HB ALA 47 -8.134 8.426 -0.702 390 3HB ALA 47 3HB ALA 47 -8.444 7.897 -2.356 391 H ILE 48 H ILE 48 -5.784 5.429 -2.915 392 HA ILE 48 HA ILE 48 -3.912 7.761 -3.002 393 HB ILE 48 HB ILE 48 -3.410 4.893 -2.257 394 1HG1 ILE 48 1HG1 ILE 48 -2.627 7.627 -1.239 395 2HG1 ILE 48 2HG1 ILE 48 -3.547 6.370 -0.411 396 1HG2 ILE 48 1HG2 ILE 48 -1.042 5.125 -2.761 397 2HG2 ILE 48 2HG2 ILE 48 -1.289 6.772 -3.339 398 3HG2 ILE 48 3HG2 ILE 48 -1.961 5.412 -4.238 399 1HD1 ILE 48 1HD1 ILE 48 -1.389 6.232 0.554 400 2HD1 ILE 48 2HD1 ILE 48 -0.589 6.438 -1.003 401 3HD1 ILE 48 3HD1 ILE 48 -1.417 4.926 -0.630 402 H VAL 49 H VAL 49 -2.656 7.834 -4.985 403 HA VAL 49 HA VAL 49 -3.528 5.951 -7.139 404 HB VAL 49 HB VAL 49 -3.485 8.985 -7.235 405 1HG1 VAL 49 1HG1 VAL 49 -4.070 6.849 -9.289 406 2HG1 VAL 49 2HG1 VAL 49 -2.958 8.212 -9.418 407 3HG1 VAL 49 3HG1 VAL 49 -4.699 8.489 -9.452 408 1HG2 VAL 49 1HG2 VAL 49 -5.708 6.940 -7.053 409 2HG2 VAL 49 2HG2 VAL 49 -5.989 8.592 -7.602 410 3HG2 VAL 49 3HG2 VAL 49 -5.393 8.294 -5.968 411 H THR 50 H THR 50 -1.663 5.097 -7.959 412 HA THR 50 HA THR 50 0.878 6.618 -7.753 413 HB THR 50 HB THR 50 0.214 3.796 -8.656 414 HG1 THR 50 HG1 THR 50 0.898 3.258 -6.578 415 1HG2 THR 50 1HG2 THR 50 2.755 3.623 -7.915 416 2HG2 THR 50 2HG2 THR 50 2.756 5.337 -8.330 417 3HG2 THR 50 3HG2 THR 50 2.322 4.137 -9.546 418 H LEU 51 H LEU 51 2.258 6.845 -9.671 419 HA LEU 51 HA LEU 51 0.810 6.656 -12.285 420 1HB LEU 51 1HB LEU 51 1.737 8.988 -10.771 421 2HB LEU 51 2HB LEU 51 2.375 8.955 -12.414 422 HG LEU 51 HG LEU 51 -0.511 8.302 -12.087 423 1HD1 LEU 51 1HD1 LEU 51 0.480 10.553 -10.791 424 2HD1 LEU 51 2HD1 LEU 51 -1.187 10.319 -11.320 425 3HD1 LEU 51 3HD1 LEU 51 -0.046 11.179 -12.355 426 1HD2 LEU 51 1HD2 LEU 51 0.411 8.289 -14.305 427 2HD2 LEU 51 2HD2 LEU 51 1.209 9.841 -14.050 428 3HD2 LEU 51 3HD2 LEU 51 -0.550 9.762 -14.174 429 H THR 52 H THR 52 2.109 5.801 -13.886 430 HA THR 52 HA THR 52 4.937 5.193 -13.195 431 HB THR 52 HB THR 52 4.520 3.905 -15.493 432 HG1 THR 52 HG1 THR 52 1.918 3.803 -14.550 433 1HG2 THR 52 1HG2 THR 52 3.939 3.328 -12.677 434 2HG2 THR 52 2HG2 THR 52 4.803 2.356 -13.869 435 3HG2 THR 52 3HG2 THR 52 3.041 2.306 -13.799 436 H TYR 53 H TYR 53 6.531 6.473 -14.006 437 HA TYR 53 HA TYR 53 5.908 8.268 -16.312 438 1HB TYR 53 1HB TYR 53 7.900 8.246 -14.042 439 2HB TYR 53 2HB TYR 53 8.107 9.321 -15.424 440 HD1 TYR 53 HD1 TYR 53 6.022 8.520 -12.494 441 HD2 TYR 53 HD2 TYR 53 6.546 11.151 -15.851 442 HE1 TYR 53 HE1 TYR 53 4.384 10.102 -11.510 443 HE2 TYR 53 HE2 TYR 53 4.908 12.733 -14.867 444 HH TYR 53 HH TYR 53 3.175 11.950 -11.864 445 H ASP 54 H ASP 54 7.264 8.232 -18.159 446 HA ASP 54 HA ASP 54 8.626 5.710 -18.707 447 1HB ASP 54 1HB ASP 54 8.439 8.300 -20.278 448 2HB ASP 54 2HB ASP 54 8.878 6.720 -20.929 449 H SER 55 H SER 55 9.600 8.615 -17.234 450 HA SER 55 HA SER 55 12.381 7.787 -17.139 451 1HB SER 55 1HB SER 55 13.251 9.654 -18.510 452 2HB SER 55 2HB SER 55 12.200 8.611 -19.464 453 HG SER 55 HG SER 55 11.698 10.821 -19.753 454 H GLU 56 H GLU 56 13.269 8.705 -15.313 455 HA GLU 56 HA GLU 56 11.832 10.211 -13.444 456 1HB GLU 56 1HB GLU 56 14.790 10.020 -14.071 457 2HB GLU 56 2HB GLU 56 14.172 10.805 -12.617 458 1HG GLU 56 1HG GLU 56 12.994 8.701 -12.011 459 2HG GLU 56 2HG GLU 56 13.696 7.922 -13.428 460 H TRP 57 H TRP 57 13.852 11.383 -16.133 461 HA TRP 57 HA TRP 57 13.954 14.133 -15.518 462 1HB TRP 57 1HB TRP 57 14.954 12.704 -17.447 463 2HB TRP 57 2HB TRP 57 13.444 13.050 -18.289 464 HD1 TRP 57 HD1 TRP 57 13.408 15.209 -19.624 465 HE1 TRP 57 HE1 TRP 57 14.778 17.393 -19.645 466 HE3 TRP 57 HE3 TRP 57 16.465 14.366 -15.621 467 HZ2 TRP 57 HZ2 TRP 57 16.895 18.618 -18.157 468 HZ3 TRP 57 HZ3 TRP 57 18.148 16.056 -14.945 469 HH2 TRP 57 HH2 TRP 57 18.366 18.179 -16.207 470 H GLN 58 H GLN 58 11.541 12.546 -17.646 471 HA GLN 58 HA GLN 58 9.795 14.768 -17.896 472 1HB GLN 58 1HB GLN 58 9.932 12.466 -19.095 473 2HB GLN 58 2HB GLN 58 8.904 11.886 -17.783 474 1HG GLN 58 1HG GLN 58 7.161 13.428 -18.344 475 2HG GLN 58 2HG GLN 58 8.213 14.316 -19.447 476 1HE2 GLN 58 1HE2 GLN 58 6.629 11.124 -19.011 477 2HE2 GLN 58 2HE2 GLN 58 6.592 10.743 -20.666 478 H ARG 59 H ARG 59 10.137 12.398 -15.303 479 HA ARG 59 HA ARG 59 7.644 12.744 -13.985 480 1HB ARG 59 1HB ARG 59 9.313 11.001 -13.490 481 2HB ARG 59 2HB ARG 59 10.421 12.226 -12.874 482 1HG ARG 59 1HG ARG 59 8.567 12.875 -11.234 483 2HG ARG 59 2HG ARG 59 7.761 11.381 -11.715 484 1HD ARG 59 1HD ARG 59 9.066 10.845 -9.759 485 2HD ARG 59 2HD ARG 59 9.967 10.186 -11.139 486 HE ARG 59 HE ARG 59 10.745 12.915 -10.693 487 1HH1 ARG 59 1HH1 ARG 59 12.014 9.902 -10.741 488 2HH1 ARG 59 2HH1 ARG 59 13.110 10.105 -9.415 489 1HH2 ARG 59 1HH2 ARG 59 11.732 13.117 -8.389 490 2HH2 ARG 59 2HH2 ARG 59 12.952 11.925 -8.085 491 H ASP 60 H ASP 60 10.733 14.506 -13.452 492 HA ASP 60 HA ASP 60 9.786 16.219 -11.385 493 1HB ASP 60 1HB ASP 60 11.820 17.380 -11.763 494 2HB ASP 60 2HB ASP 60 12.159 15.731 -12.287 495 H GLN 61 H GLN 61 9.559 16.508 -14.910 496 HA GLN 61 HA GLN 61 8.710 19.251 -15.007 497 1HB GLN 61 1HB GLN 61 8.188 16.858 -16.803 498 2HB GLN 61 2HB GLN 61 7.900 18.535 -17.267 499 1HG GLN 61 1HG GLN 61 10.368 18.941 -16.627 500 2HG GLN 61 2HG GLN 61 10.532 17.185 -16.671 501 1HE2 GLN 61 1HE2 GLN 61 11.761 17.002 -18.617 502 2HE2 GLN 61 2HE2 GLN 61 11.179 17.500 -20.131 503 H PHE 62 H PHE 62 6.851 16.200 -14.978 504 HA PHE 62 HA PHE 62 4.240 17.254 -15.115 505 1HB PHE 62 1HB PHE 62 4.804 14.893 -15.317 506 2HB PHE 62 2HB PHE 62 5.386 14.858 -13.653 507 HD1 PHE 62 HD1 PHE 62 2.461 14.786 -15.826 508 HD2 PHE 62 HD2 PHE 62 3.791 15.160 -11.758 509 HE1 PHE 62 HE1 PHE 62 0.163 14.296 -15.030 510 HE2 PHE 62 HE2 PHE 62 1.494 14.672 -10.962 511 HZ PHE 62 HZ PHE 62 -0.318 14.239 -12.596 512 H LEU 63 H LEU 63 5.787 16.121 -12.083 513 HA LEU 63 HA LEU 63 3.927 17.346 -10.320 514 1HB LEU 63 1HB LEU 63 5.803 17.011 -8.669 515 2HB LEU 63 2HB LEU 63 5.465 15.588 -9.654 516 HG LEU 63 HG LEU 63 7.287 16.787 -11.239 517 1HD1 LEU 63 1HD1 LEU 63 7.736 18.672 -9.821 518 2HD1 LEU 63 2HD1 LEU 63 9.118 17.588 -9.668 519 3HD1 LEU 63 3HD1 LEU 63 7.894 17.642 -8.399 520 1HD2 LEU 63 1HD2 LEU 63 8.581 14.977 -10.689 521 2HD2 LEU 63 2HD2 LEU 63 7.152 14.498 -9.774 522 3HD2 LEU 63 3HD2 LEU 63 8.488 15.312 -8.960 523 H SER 64 H SER 64 6.501 18.746 -12.173 524 HA SER 64 HA SER 64 6.859 21.095 -10.454 525 1HB SER 64 1HB SER 64 8.751 20.482 -11.707 526 2HB SER 64 2HB SER 64 7.799 20.128 -13.146 527 HG SER 64 HG SER 64 8.131 22.109 -13.728 528 H GLN 65 H GLN 65 4.735 20.138 -13.040 529 HA GLN 65 HA GLN 65 3.949 22.942 -13.631 530 1HB GLN 65 1HB GLN 65 2.990 20.288 -14.753 531 2HB GLN 65 2HB GLN 65 2.702 21.883 -15.450 532 1HG GLN 65 1HG GLN 65 5.528 21.509 -14.979 533 2HG GLN 65 2HG GLN 65 4.896 20.180 -15.952 534 1HE2 GLN 65 1HE2 GLN 65 5.253 20.692 -18.120 535 2HE2 GLN 65 2HE2 GLN 65 4.960 22.211 -18.820 536 H VAL 66 H VAL 66 1.955 19.999 -13.231 537 HA VAL 66 HA VAL 66 -0.402 21.218 -12.373 538 HB VAL 66 HB VAL 66 -0.858 19.008 -11.321 539 1HG1 VAL 66 1HG1 VAL 66 -1.060 18.057 -13.371 540 2HG1 VAL 66 2HG1 VAL 66 0.675 18.141 -13.677 541 3HG1 VAL 66 3HG1 VAL 66 -0.342 19.550 -13.976 542 1HG2 VAL 66 1HG2 VAL 66 0.973 18.163 -10.246 543 2HG2 VAL 66 2HG2 VAL 66 2.105 18.951 -11.345 544 3HG2 VAL 66 3HG2 VAL 66 1.320 17.444 -11.818 545 H LYS 67 H LYS 67 -0.968 22.336 -10.538 546 HA LYS 67 HA LYS 67 0.994 22.872 -8.468 547 1HB LYS 67 1HB LYS 67 -1.016 24.254 -9.472 548 2HB LYS 67 2HB LYS 67 -1.949 23.428 -8.223 549 1HG LYS 67 1HG LYS 67 -1.112 24.779 -6.631 550 2HG LYS 67 2HG LYS 67 0.538 24.394 -7.118 551 1HD LYS 67 1HD LYS 67 0.588 26.147 -8.723 552 2HD LYS 67 2HD LYS 67 -1.162 26.360 -8.657 553 1HE LYS 67 1HE LYS 67 -0.531 26.781 -6.040 554 2HE LYS 67 2HE LYS 67 0.927 27.411 -6.834 555 1HZ LYS 67 1HZ LYS 67 -0.241 28.985 -7.957 556 2HZ LYS 67 2HZ LYS 67 -1.256 28.862 -6.600 557 3HZ LYS 67 3HZ LYS 67 -1.656 28.054 -8.039 558 H ILE 68 H ILE 68 1.495 21.219 -7.069 559 HA ILE 68 HA ILE 68 -0.584 19.322 -6.155 560 HB ILE 68 HB ILE 68 2.392 19.623 -5.638 561 1HG1 ILE 68 1HG1 ILE 68 1.098 17.387 -7.164 562 2HG1 ILE 68 2HG1 ILE 68 1.319 18.942 -7.966 563 1HG2 ILE 68 1HG2 ILE 68 2.317 17.843 -4.217 564 2HG2 ILE 68 2HG2 ILE 68 1.053 17.034 -5.145 565 3HG2 ILE 68 3HG2 ILE 68 0.629 18.313 -4.006 566 1HD1 ILE 68 1HD1 ILE 68 3.238 16.957 -7.773 567 2HD1 ILE 68 2HD1 ILE 68 3.696 18.074 -6.487 568 3HD1 ILE 68 3HD1 ILE 68 3.557 18.650 -8.148 569 HA PRO 69 HA PRO 69 -1.506 22.012 -2.726 570 1HB PRO 69 1HB PRO 69 -2.858 20.169 -1.222 571 2HB PRO 69 2HB PRO 69 -3.588 21.014 -2.602 572 1HG PRO 69 1HG PRO 69 -2.456 18.267 -2.448 573 2HG PRO 69 2HG PRO 69 -3.896 18.849 -3.301 574 1HD PRO 69 1HD PRO 69 -1.532 18.347 -4.544 575 2HD PRO 69 2HD PRO 69 -2.696 19.559 -5.116 576 H LYS 70 H LYS 70 -1.273 21.605 -0.186 577 HA LYS 70 HA LYS 70 1.447 20.502 0.220 578 1HB LYS 70 1HB LYS 70 -0.470 22.082 1.967 579 2HB LYS 70 2HB LYS 70 1.198 21.697 2.397 580 1HG LYS 70 1HG LYS 70 0.374 23.253 -0.072 581 2HG LYS 70 2HG LYS 70 0.966 23.983 1.421 582 1HD LYS 70 1HD LYS 70 2.931 22.180 1.007 583 2HD LYS 70 2HD LYS 70 2.450 22.470 -0.666 584 1HE LYS 70 1HE LYS 70 3.004 24.760 -0.561 585 2HE LYS 70 2HE LYS 70 2.940 24.786 1.212 586 1HZ LYS 70 1HZ LYS 70 4.974 23.867 1.396 587 2HZ LYS 70 2HZ LYS 70 5.206 24.487 -0.169 588 3HZ LYS 70 3HZ LYS 70 4.770 22.859 0.047 589 H THR 71 H THR 71 -1.808 19.530 0.640 590 HA THR 71 HA THR 71 -1.332 17.802 2.973 591 HB THR 71 HB THR 71 -3.664 17.851 1.040 592 HG1 THR 71 HG1 THR 71 -4.497 19.470 2.368 593 1HG2 THR 71 1HG2 THR 71 -3.518 17.252 4.006 594 2HG2 THR 71 2HG2 THR 71 -3.538 16.022 2.742 595 3HG2 THR 71 3HG2 THR 71 -4.931 17.082 2.965 596 H ILE 72 H ILE 72 -0.979 17.571 -0.458 597 HA ILE 72 HA ILE 72 -1.171 14.610 -0.456 598 HB ILE 72 HB ILE 72 -0.968 16.837 -2.465 599 1HG1 ILE 72 1HG1 ILE 72 -2.989 15.888 -3.302 600 2HG1 ILE 72 2HG1 ILE 72 -2.713 14.366 -2.456 601 1HG2 ILE 72 1HG2 ILE 72 -0.963 14.582 -4.031 602 2HG2 ILE 72 2HG2 ILE 72 0.159 14.126 -2.749 603 3HG2 ILE 72 3HG2 ILE 72 0.459 15.576 -3.709 604 1HD1 ILE 72 1HD1 ILE 72 -3.027 16.962 -0.951 605 2HD1 ILE 72 2HD1 ILE 72 -3.208 15.315 -0.345 606 3HD1 ILE 72 3HD1 ILE 72 -4.426 15.997 -1.423 607 H THR 73 H THR 73 0.639 13.476 0.066 608 HA THR 73 HA THR 73 3.308 14.769 -0.122 609 HB THR 73 HB THR 73 2.755 11.992 0.885 610 HG1 THR 73 HG1 THR 73 2.080 14.437 2.144 611 1HG2 THR 73 1HG2 THR 73 4.922 12.323 1.434 612 2HG2 THR 73 2HG2 THR 73 4.316 13.405 2.687 613 3HG2 THR 73 3HG2 THR 73 4.814 14.056 1.126 614 H VAL 74 H VAL 74 4.884 14.080 -1.576 615 HA VAL 74 HA VAL 74 4.002 12.276 -3.746 616 HB VAL 74 HB VAL 74 5.070 14.450 -4.199 617 1HG1 VAL 74 1HG1 VAL 74 6.703 15.131 -2.810 618 2HG1 VAL 74 2HG1 VAL 74 7.772 13.958 -3.579 619 3HG1 VAL 74 3HG1 VAL 74 6.866 13.511 -2.132 620 1HG2 VAL 74 1HG2 VAL 74 7.111 12.356 -4.926 621 2HG2 VAL 74 2HG2 VAL 74 6.511 13.699 -5.899 622 3HG2 VAL 74 3HG2 VAL 74 5.486 12.294 -5.609 623 H SER 75 H SER 75 5.733 10.704 -4.567 624 HA SER 75 HA SER 75 7.380 9.523 -2.378 625 1HB SER 75 1HB SER 75 4.839 8.593 -3.228 626 2HB SER 75 2HB SER 75 6.028 7.441 -3.828 627 HG SER 75 HG SER 75 5.225 7.994 -1.268 628 H THR 76 H THR 76 8.998 8.000 -3.193 629 HA THR 76 HA THR 76 9.464 8.142 -6.149 630 HB THR 76 HB THR 76 11.854 8.537 -5.616 631 HG1 THR 76 HG1 THR 76 11.076 9.014 -2.961 632 1HG2 THR 76 1HG2 THR 76 10.475 10.488 -6.013 633 2HG2 THR 76 2HG2 THR 76 11.575 10.848 -4.683 634 3HG2 THR 76 3HG2 THR 76 9.887 10.459 -4.350 635 H GLY 77 H GLY 77 10.005 6.141 -7.007 636 1HA GLY 77 1HA GLY 77 11.412 4.120 -5.481 637 2HA GLY 77 2HA GLY 77 9.699 3.732 -5.649 638 H PHE 78 H PHE 78 10.730 1.853 -6.893 639 HA PHE 78 HA PHE 78 10.759 2.570 -9.782 640 1HB PHE 78 1HB PHE 78 12.930 1.043 -8.306 641 2HB PHE 78 2HB PHE 78 12.857 1.246 -10.057 642 HD1 PHE 78 HD1 PHE 78 14.068 2.621 -7.016 643 HD2 PHE 78 HD2 PHE 78 12.657 3.720 -10.920 644 HE1 PHE 78 HE1 PHE 78 15.196 4.820 -6.804 645 HE2 PHE 78 HE2 PHE 78 13.786 5.920 -10.710 646 HZ PHE 78 HZ PHE 78 15.054 6.469 -8.650 647 H MET 79 H MET 79 10.099 0.807 -11.117 648 HA MET 79 HA MET 79 9.217 -1.658 -9.647 649 1HB MET 79 1HB MET 79 7.844 0.269 -11.432 650 2HB MET 79 2HB MET 79 7.490 -1.431 -11.746 651 1HG MET 79 1HG MET 79 7.263 -0.065 -9.048 652 2HG MET 79 2HG MET 79 5.909 -0.475 -10.101 653 1HE MET 79 1HE MET 79 5.290 -3.924 -10.103 654 2HE MET 79 2HE MET 79 5.526 -2.480 -11.084 655 3HE MET 79 3HE MET 79 6.742 -3.765 -11.090 656 H SER 80 H SER 80 9.297 -3.631 -10.925 657 HA SER 80 HA SER 80 10.935 -3.423 -13.429 658 1HB SER 80 1HB SER 80 11.300 -5.805 -11.727 659 2HB SER 80 2HB SER 80 12.508 -4.793 -12.514 660 HG SER 80 HG SER 80 12.415 -4.716 -10.143 661 H ILE 81 H ILE 81 9.347 -3.961 -14.930 662 HA ILE 81 HA ILE 81 8.230 -6.704 -14.763 663 HB ILE 81 HB ILE 81 5.949 -5.898 -14.997 664 1HG1 ILE 81 1HG1 ILE 81 7.244 -3.155 -15.103 665 2HG1 ILE 81 2HG1 ILE 81 6.358 -3.952 -16.403 666 1HG2 ILE 81 1HG2 ILE 81 7.067 -5.937 -12.704 667 2HG2 ILE 81 2HG2 ILE 81 5.641 -4.910 -12.840 668 3HG2 ILE 81 3HG2 ILE 81 7.250 -4.190 -12.865 669 1HD1 ILE 81 1HD1 ILE 81 5.265 -2.924 -13.777 670 2HD1 ILE 81 2HD1 ILE 81 4.359 -4.022 -14.818 671 3HD1 ILE 81 3HD1 ILE 81 4.816 -2.423 -15.407 672 1H MET 1 1H MET 1 14.366 -0.970 2.630 673 2H MET 1 2H MET 1 14.718 0.636 2.206 674 3H MET 1 3H MET 1 15.506 -0.645 1.417 675 HA MET 1 HA MET 1 12.961 0.553 0.842 676 1HB MET 1 1HB MET 1 14.953 -1.320 -0.469 677 2HB MET 1 2HB MET 1 13.525 -0.702 -1.300 678 1HG MET 1 1HG MET 1 15.114 1.370 0.065 679 2HG MET 1 2HG MET 1 15.961 0.563 -1.254 680 1HE MET 1 1HE MET 1 15.559 0.365 -3.260 681 2HE MET 1 2HE MET 1 14.047 0.593 -4.134 682 3HE MET 1 3HE MET 1 15.256 1.884 -4.100 683 H THR 2 H THR 2 10.978 -0.487 0.708 684 HA THR 2 HA THR 2 10.754 -3.162 1.938 685 HB THR 2 HB THR 2 9.299 -1.166 2.460 686 HG1 THR 2 HG1 THR 2 7.319 -2.435 2.224 687 1HG2 THR 2 1HG2 THR 2 9.213 -0.496 -0.016 688 2HG2 THR 2 2HG2 THR 2 7.702 -0.387 0.887 689 3HG2 THR 2 3HG2 THR 2 7.986 -1.750 -0.195 690 HA PRO 3 HA PRO 3 10.800 -5.067 -2.076 691 1HB PRO 3 1HB PRO 3 9.944 -7.541 -1.291 692 2HB PRO 3 2HB PRO 3 11.611 -6.979 -1.056 693 1HG PRO 3 1HG PRO 3 9.371 -7.120 0.893 694 2HG PRO 3 2HG PRO 3 11.094 -7.455 1.126 695 1HD PRO 3 1HD PRO 3 9.885 -5.138 1.908 696 2HD PRO 3 2HD PRO 3 11.601 -5.263 1.490 697 H ILE 4 H ILE 4 9.155 -5.710 -3.598 698 HA ILE 4 HA ILE 4 6.340 -5.760 -2.614 699 HB ILE 4 HB ILE 4 5.809 -4.079 -4.422 700 1HG1 ILE 4 1HG1 ILE 4 8.749 -3.441 -4.454 701 2HG1 ILE 4 2HG1 ILE 4 8.111 -4.666 -5.551 702 1HG2 ILE 4 1HG2 ILE 4 6.823 -2.138 -3.168 703 2HG2 ILE 4 2HG2 ILE 4 7.749 -3.306 -2.226 704 3HG2 ILE 4 3HG2 ILE 4 5.988 -3.301 -2.139 705 1HD1 ILE 4 1HD1 ILE 4 8.082 -2.515 -6.686 706 2HD1 ILE 4 2HD1 ILE 4 7.207 -1.781 -5.343 707 3HD1 ILE 4 3HD1 ILE 4 6.421 -2.999 -6.346 708 H VAL 5 H VAL 5 4.840 -6.511 -4.372 709 HA VAL 5 HA VAL 5 6.166 -7.927 -6.632 710 HB VAL 5 HB VAL 5 4.339 -9.229 -4.586 711 1HG1 VAL 5 1HG1 VAL 5 5.595 -11.234 -5.937 712 2HG1 VAL 5 2HG1 VAL 5 5.447 -10.028 -7.215 713 3HG1 VAL 5 3HG1 VAL 5 4.008 -10.607 -6.377 714 1HG2 VAL 5 1HG2 VAL 5 6.505 -10.542 -4.118 715 2HG2 VAL 5 2HG2 VAL 5 6.428 -8.891 -3.503 716 3HG2 VAL 5 3HG2 VAL 5 7.337 -9.242 -4.973 717 H HIS 6 H HIS 6 4.866 -7.931 -8.448 718 HA HIS 6 HA HIS 6 2.112 -6.793 -8.170 719 1HB HIS 6 1HB HIS 6 4.368 -6.565 -10.032 720 2HB HIS 6 2HB HIS 6 2.834 -6.832 -10.856 721 HD1 HIS 6 HD1 HIS 6 2.840 -4.345 -11.702 722 HD2 HIS 6 HD2 HIS 6 2.751 -4.745 -7.554 723 HE1 HIS 6 HE1 HIS 6 2.242 -2.065 -10.775 724 H LEU 7 H LEU 7 0.384 -8.134 -8.631 725 HA LEU 7 HA LEU 7 0.985 -10.737 -10.004 726 1HB LEU 7 1HB LEU 7 -0.585 -9.961 -7.576 727 2HB LEU 7 2HB LEU 7 -1.139 -11.347 -8.516 728 HG LEU 7 HG LEU 7 1.626 -11.706 -8.321 729 1HD1 LEU 7 1HD1 LEU 7 1.412 -9.882 -6.505 730 2HD1 LEU 7 2HD1 LEU 7 2.237 -11.375 -6.058 731 3HD1 LEU 7 3HD1 LEU 7 0.568 -11.106 -5.558 732 1HD2 LEU 7 1HD2 LEU 7 0.632 -13.332 -6.376 733 2HD2 LEU 7 2HD2 LEU 7 0.478 -13.671 -8.100 734 3HD2 LEU 7 3HD2 LEU 7 -0.854 -12.911 -7.229 735 H LYS 8 H LYS 8 -0.391 -11.313 -11.682 736 HA LYS 8 HA LYS 8 -2.878 -9.717 -12.107 737 1HB LYS 8 1HB LYS 8 -1.186 -8.565 -13.371 738 2HB LYS 8 2HB LYS 8 -0.530 -10.082 -13.988 739 1HG LYS 8 1HG LYS 8 -2.546 -10.494 -15.276 740 2HG LYS 8 2HG LYS 8 -3.335 -9.086 -14.564 741 1HD LYS 8 1HD LYS 8 -1.613 -7.622 -15.577 742 2HD LYS 8 2HD LYS 8 -0.862 -9.035 -16.319 743 1HE LYS 8 1HE LYS 8 -2.950 -9.501 -17.564 744 2HE LYS 8 2HE LYS 8 -3.701 -8.073 -16.826 745 1HZ LYS 8 1HZ LYS 8 -1.710 -6.806 -17.667 746 2HZ LYS 8 2HZ LYS 8 -2.795 -7.339 -18.861 747 3HZ LYS 8 3HZ LYS 8 -1.334 -8.167 -18.608 748 H GLY 9 H GLY 9 -4.173 -10.752 -13.967 749 1HA GLY 9 1HA GLY 9 -3.895 -13.152 -15.200 750 2HA GLY 9 2HA GLY 9 -4.211 -13.666 -13.543 751 H ASP 10 H ASP 10 -6.209 -14.632 -14.453 752 HA ASP 10 HA ASP 10 -8.285 -13.072 -15.670 753 1HB ASP 10 1HB ASP 10 -7.953 -15.605 -15.546 754 2HB ASP 10 2HB ASP 10 -8.600 -15.514 -13.908 755 H ALA 11 H ALA 11 -9.713 -11.654 -14.753 756 HA ALA 11 HA ALA 11 -9.499 -10.571 -12.183 757 1HB ALA 11 1HB ALA 11 -11.704 -10.845 -14.213 758 2HB ALA 11 2HB ALA 11 -12.022 -10.033 -12.680 759 3HB ALA 11 3HB ALA 11 -10.783 -9.409 -13.769 760 H ASN 12 H ASN 12 -11.239 -13.472 -13.208 761 HA ASN 12 HA ASN 12 -12.614 -13.795 -10.630 762 1HB ASN 12 1HB ASN 12 -13.506 -14.463 -12.886 763 2HB ASN 12 2HB ASN 12 -12.258 -15.708 -12.958 764 1HD2 ASN 12 1HD2 ASN 12 -14.823 -16.674 -13.039 765 2HD2 ASN 12 2HD2 ASN 12 -15.267 -17.358 -11.552 766 H THR 13 H THR 13 -10.008 -15.524 -12.388 767 HA THR 13 HA THR 13 -9.439 -17.477 -10.415 768 HB THR 13 HB THR 13 -7.625 -16.031 -12.373 769 HG1 THR 13 HG1 THR 13 -9.636 -17.283 -13.004 770 1HG2 THR 13 1HG2 THR 13 -6.836 -18.715 -11.998 771 2HG2 THR 13 2HG2 THR 13 -7.087 -18.051 -10.383 772 3HG2 THR 13 3HG2 THR 13 -5.965 -17.266 -11.495 773 H LEU 14 H LEU 14 -8.945 -14.071 -10.316 774 HA LEU 14 HA LEU 14 -6.686 -14.132 -8.439 775 1HB LEU 14 1HB LEU 14 -8.565 -12.012 -9.515 776 2HB LEU 14 2HB LEU 14 -7.264 -11.646 -8.382 777 HG LEU 14 HG LEU 14 -6.904 -12.973 -11.086 778 1HD1 LEU 14 1HD1 LEU 14 -7.518 -10.422 -10.853 779 2HD1 LEU 14 2HD1 LEU 14 -6.206 -10.913 -11.925 780 3HD1 LEU 14 3HD1 LEU 14 -5.842 -10.270 -10.323 781 1HD2 LEU 14 1HD2 LEU 14 -4.449 -12.265 -10.455 782 2HD2 LEU 14 2HD2 LEU 14 -5.119 -13.754 -9.792 783 3HD2 LEU 14 3HD2 LEU 14 -5.068 -12.294 -8.804 784 H LYS 15 H LYS 15 -10.211 -13.839 -8.280 785 HA LYS 15 HA LYS 15 -10.483 -12.923 -5.602 786 1HB LYS 15 1HB LYS 15 -12.290 -13.068 -7.272 787 2HB LYS 15 2HB LYS 15 -12.181 -14.829 -7.249 788 1HG LYS 15 1HG LYS 15 -12.836 -14.877 -4.897 789 2HG LYS 15 2HG LYS 15 -12.846 -13.114 -4.838 790 1HD LYS 15 1HD LYS 15 -14.591 -14.736 -6.709 791 2HD LYS 15 2HD LYS 15 -15.129 -14.143 -5.137 792 1HE LYS 15 1HE LYS 15 -14.528 -11.807 -5.888 793 2HE LYS 15 2HE LYS 15 -14.235 -12.471 -7.508 794 1HZ LYS 15 1HZ LYS 15 -16.579 -13.602 -6.864 795 2HZ LYS 15 2HZ LYS 15 -16.434 -12.173 -7.769 796 3HZ LYS 15 3HZ LYS 15 -16.738 -12.098 -6.098 797 H CYS 16 H CYS 16 -9.953 -16.184 -6.909 798 HA CYS 16 HA CYS 16 -10.338 -17.587 -4.409 799 1HB CYS 16 1HB CYS 16 -10.252 -18.318 -6.956 800 2HB CYS 16 2HB CYS 16 -8.536 -18.544 -6.611 801 HG CYS 16 HG CYS 16 -9.303 -20.172 -4.618 802 H LEU 17 H LEU 17 -7.538 -16.118 -6.017 803 HA LEU 17 HA LEU 17 -5.452 -17.208 -4.427 804 1HB LEU 17 1HB LEU 17 -5.941 -14.711 -6.017 805 2HB LEU 17 2HB LEU 17 -4.472 -14.819 -5.047 806 HG LEU 17 HG LEU 17 -5.280 -17.045 -6.916 807 1HD1 LEU 17 1HD1 LEU 17 -5.149 -15.200 -8.405 808 2HD1 LEU 17 2HD1 LEU 17 -3.553 -15.946 -8.478 809 3HD1 LEU 17 3HD1 LEU 17 -3.800 -14.483 -7.524 810 1HD2 LEU 17 1HD2 LEU 17 -3.569 -17.651 -5.343 811 2HD2 LEU 17 2HD2 LEU 17 -2.714 -16.128 -5.591 812 3HD2 LEU 17 3HD2 LEU 17 -2.749 -17.340 -6.872 813 H ARG 18 H ARG 18 -7.264 -14.146 -3.971 814 HA ARG 18 HA ARG 18 -6.096 -13.167 -1.642 815 1HB ARG 18 1HB ARG 18 -7.958 -12.169 -2.987 816 2HB ARG 18 2HB ARG 18 -9.063 -13.346 -2.275 817 1HG ARG 18 1HG ARG 18 -8.300 -12.462 0.006 818 2HG ARG 18 2HG ARG 18 -7.561 -11.125 -0.877 819 1HD ARG 18 1HD ARG 18 -9.653 -10.328 -1.659 820 2HD ARG 18 2HD ARG 18 -10.468 -11.861 -1.289 821 HE ARG 18 HE ARG 18 -9.238 -10.424 0.991 822 1HH1 ARG 18 1HH1 ARG 18 -12.024 -10.505 -0.973 823 2HH1 ARG 18 2HH1 ARG 18 -13.141 -10.506 0.350 824 1HH2 ARG 18 1HH2 ARG 18 -10.679 -10.775 2.778 825 2HH2 ARG 18 2HH2 ARG 18 -12.381 -10.658 2.474 826 H TYR 19 H TYR 19 -8.229 -15.943 -2.001 827 HA TYR 19 HA TYR 19 -8.904 -16.341 0.756 828 1HB TYR 19 1HB TYR 19 -9.961 -17.355 -1.292 829 2HB TYR 19 2HB TYR 19 -8.533 -18.374 -1.466 830 HD1 TYR 19 HD1 TYR 19 -11.688 -17.918 0.231 831 HD2 TYR 19 HD2 TYR 19 -7.900 -19.936 0.448 832 HE1 TYR 19 HE1 TYR 19 -12.636 -19.523 1.867 833 HE2 TYR 19 HE2 TYR 19 -8.849 -21.541 2.084 834 HH TYR 19 HH TYR 19 -10.687 -22.225 3.129 835 H ARG 20 H ARG 20 -6.295 -17.738 -1.260 836 HA ARG 20 HA ARG 20 -5.111 -19.379 0.737 837 1HB ARG 20 1HB ARG 20 -4.361 -18.103 -1.846 838 2HB ARG 20 2HB ARG 20 -3.031 -18.691 -0.847 839 1HG ARG 20 1HG ARG 20 -5.312 -20.550 -1.063 840 2HG ARG 20 2HG ARG 20 -4.459 -20.257 -2.579 841 1HD ARG 20 1HD ARG 20 -3.014 -21.862 -1.822 842 2HD ARG 20 2HD ARG 20 -2.373 -20.568 -0.789 843 HE ARG 20 HE ARG 20 -4.610 -21.528 0.574 844 1HH1 ARG 20 1HH1 ARG 20 -1.682 -21.720 1.465 845 2HH1 ARG 20 2HH1 ARG 20 -1.534 -23.426 1.729 846 1HH2 ARG 20 1HH2 ARG 20 -4.429 -24.215 -0.010 847 2HH2 ARG 20 2HH2 ARG 20 -3.090 -24.838 0.895 848 H PHE 21 H PHE 21 -4.721 -15.927 0.034 849 HA PHE 21 HA PHE 21 -2.423 -15.462 1.698 850 1HB PHE 21 1HB PHE 21 -4.698 -13.587 0.978 851 2HB PHE 21 2HB PHE 21 -3.040 -13.134 1.375 852 HD1 PHE 21 HD1 PHE 21 -2.049 -15.782 -0.195 853 HD2 PHE 21 HD2 PHE 21 -4.412 -12.334 -1.190 854 HE1 PHE 21 HE1 PHE 21 -1.409 -16.033 -2.578 855 HE2 PHE 21 HE2 PHE 21 -3.772 -12.585 -3.574 856 HZ PHE 21 HZ PHE 21 -2.272 -14.435 -4.267 857 H LYS 22 H LYS 22 -5.817 -15.889 2.410 858 HA LYS 22 HA LYS 22 -5.973 -14.512 4.912 859 1HB LYS 22 1HB LYS 22 -7.387 -16.874 3.664 860 2HB LYS 22 2HB LYS 22 -7.857 -16.242 5.241 861 1HG LYS 22 1HG LYS 22 -7.780 -14.686 2.639 862 2HG LYS 22 2HG LYS 22 -9.228 -15.200 3.506 863 1HD LYS 22 1HD LYS 22 -8.130 -13.893 5.515 864 2HD LYS 22 2HD LYS 22 -7.247 -13.066 4.231 865 1HE LYS 22 1HE LYS 22 -9.169 -12.087 3.352 866 2HE LYS 22 2HE LYS 22 -10.227 -13.370 3.972 867 1HZ LYS 22 1HZ LYS 22 -8.914 -11.189 5.477 868 2HZ LYS 22 2HZ LYS 22 -9.454 -12.600 6.254 869 3HZ LYS 22 3HZ LYS 22 -10.558 -11.599 5.439 870 H LYS 23 H LYS 23 -4.706 -17.687 4.038 871 HA LYS 23 HA LYS 23 -4.548 -18.698 6.762 872 1HB LYS 23 1HB LYS 23 -3.367 -19.435 4.075 873 2HB LYS 23 2HB LYS 23 -2.986 -20.347 5.535 874 1HG LYS 23 1HG LYS 23 -5.866 -19.803 5.028 875 2HG LYS 23 2HG LYS 23 -5.081 -20.961 3.953 876 1HD LYS 23 1HD LYS 23 -4.119 -21.786 6.366 877 2HD LYS 23 2HD LYS 23 -5.712 -21.190 6.835 878 1HE LYS 23 1HE LYS 23 -6.346 -22.586 4.569 879 2HE LYS 23 2HE LYS 23 -5.005 -23.558 5.208 880 1HZ LYS 23 1HZ LYS 23 -7.021 -22.527 7.075 881 2HZ LYS 23 2HZ LYS 23 -6.082 -23.940 7.174 882 3HZ LYS 23 3HZ LYS 23 -7.420 -23.878 6.130 883 H HIS 24 H HIS 24 -2.143 -17.353 4.467 884 HA HIS 24 HA HIS 24 -0.139 -17.199 6.656 885 1HB HIS 24 1HB HIS 24 0.203 -16.323 3.787 886 2HB HIS 24 2HB HIS 24 1.421 -16.952 4.894 887 HD1 HIS 24 HD1 HIS 24 1.491 -19.527 5.268 888 HD2 HIS 24 HD2 HIS 24 -1.377 -18.308 2.499 889 HE1 HIS 24 HE1 HIS 24 0.725 -21.619 4.064 890 H CYS 25 H CYS 25 -2.398 -15.455 6.932 891 HA CYS 25 HA CYS 25 -2.097 -12.843 5.880 892 1HB CYS 25 1HB CYS 25 -3.403 -12.222 7.918 893 2HB CYS 25 2HB CYS 25 -4.048 -13.659 7.123 894 HG CYS 25 HG CYS 25 -3.454 -15.034 9.106 895 H THR 26 H THR 26 -0.165 -14.546 8.195 896 HA THR 26 HA THR 26 1.069 -12.048 9.241 897 HB THR 26 HB THR 26 1.471 -14.988 9.894 898 HG1 THR 26 HG1 THR 26 0.186 -13.140 11.551 899 1HG2 THR 26 1HG2 THR 26 3.394 -13.952 10.705 900 2HG2 THR 26 2HG2 THR 26 2.308 -13.811 12.087 901 3HG2 THR 26 3HG2 THR 26 2.562 -12.429 11.020 902 H LEU 27 H LEU 27 1.434 -13.817 6.517 903 HA LEU 27 HA LEU 27 4.389 -14.052 6.556 904 1HB LEU 27 1HB LEU 27 2.183 -15.314 5.298 905 2HB LEU 27 2HB LEU 27 3.117 -14.547 4.014 906 HG LEU 27 HG LEU 27 5.187 -15.599 5.068 907 1HD1 LEU 27 1HD1 LEU 27 3.213 -16.357 7.000 908 2HD1 LEU 27 2HD1 LEU 27 4.946 -16.684 7.024 909 3HD1 LEU 27 3HD1 LEU 27 3.844 -17.822 6.249 910 1HD2 LEU 27 1HD2 LEU 27 3.261 -16.621 3.281 911 2HD2 LEU 27 2HD2 LEU 27 3.677 -17.964 4.345 912 3HD2 LEU 27 3HD2 LEU 27 4.940 -17.136 3.436 913 H TYR 28 H TYR 28 2.108 -11.666 5.869 914 HA TYR 28 HA TYR 28 4.108 -10.122 4.287 915 1HB TYR 28 1HB TYR 28 2.304 -9.502 2.702 916 2HB TYR 28 2HB TYR 28 2.561 -11.247 2.722 917 HD1 TYR 28 HD1 TYR 28 0.718 -12.646 2.987 918 HD2 TYR 28 HD2 TYR 28 0.516 -8.614 4.454 919 HE1 TYR 28 HE1 TYR 28 -1.659 -12.992 3.610 920 HE2 TYR 28 HE2 TYR 28 -1.860 -8.960 5.080 921 HH TYR 28 HH TYR 28 -3.754 -11.206 3.925 922 H THR 29 H THR 29 2.947 -7.773 3.972 923 HA THR 29 HA THR 29 2.286 -6.902 6.735 924 HB THR 29 HB THR 29 3.282 -5.677 4.176 925 HG1 THR 29 HG1 THR 29 4.041 -5.479 6.901 926 1HG2 THR 29 1HG2 THR 29 3.064 -3.479 5.734 927 2HG2 THR 29 2HG2 THR 29 1.607 -4.342 6.232 928 3HG2 THR 29 3HG2 THR 29 1.851 -3.928 4.534 929 H ALA 30 H ALA 30 1.082 -6.005 3.448 930 HA ALA 30 HA ALA 30 -1.687 -6.445 4.310 931 1HB ALA 30 1HB ALA 30 -0.275 -3.858 4.273 932 2HB ALA 30 2HB ALA 30 -1.787 -3.848 3.363 933 3HB ALA 30 3HB ALA 30 -1.787 -4.295 5.070 934 H VAL 31 H VAL 31 -2.977 -6.739 2.515 935 HA VAL 31 HA VAL 31 -1.615 -7.011 -0.093 936 HB VAL 31 HB VAL 31 -3.003 -8.821 0.783 937 1HG1 VAL 31 1HG1 VAL 31 -4.702 -6.614 1.528 938 2HG1 VAL 31 2HG1 VAL 31 -4.801 -8.300 2.031 939 3HG1 VAL 31 3HG1 VAL 31 -5.623 -7.768 0.564 940 1HG2 VAL 31 1HG2 VAL 31 -4.085 -9.292 -1.206 941 2HG2 VAL 31 2HG2 VAL 31 -3.083 -7.945 -1.744 942 3HG2 VAL 31 3HG2 VAL 31 -4.778 -7.676 -1.334 943 H SER 32 H SER 32 -1.538 -5.134 -1.278 944 HA SER 32 HA SER 32 -3.140 -2.841 -1.024 945 1HB SER 32 1HB SER 32 -1.762 -2.196 -2.707 946 2HB SER 32 2HB SER 32 -1.074 -3.814 -2.628 947 HG SER 32 HG SER 32 -2.698 -4.452 -4.138 948 H SER 33 H SER 33 -5.089 -2.173 -2.008 949 HA SER 33 HA SER 33 -7.098 -4.121 -2.545 950 1HB SER 33 1HB SER 33 -7.235 -1.629 -1.888 951 2HB SER 33 2HB SER 33 -7.026 -1.289 -3.602 952 HG SER 33 HG SER 33 -8.864 -2.640 -3.972 953 H THR 34 H THR 34 -8.189 -4.496 -4.646 954 HA THR 34 HA THR 34 -6.355 -5.169 -6.762 955 HB THR 34 HB THR 34 -9.365 -4.837 -6.874 956 HG1 THR 34 HG1 THR 34 -9.360 -6.279 -5.365 957 1HG2 THR 34 1HG2 THR 34 -8.985 -5.573 -8.973 958 2HG2 THR 34 2HG2 THR 34 -8.597 -7.126 -8.233 959 3HG2 THR 34 3HG2 THR 34 -7.309 -5.980 -8.609 960 H TRP 35 H TRP 35 -5.501 -3.767 -8.255 961 HA TRP 35 HA TRP 35 -7.188 -1.549 -9.294 962 1HB TRP 35 1HB TRP 35 -5.584 0.117 -8.683 963 2HB TRP 35 2HB TRP 35 -5.782 -0.880 -7.243 964 HD1 TRP 35 HD1 TRP 35 -3.728 -2.174 -6.370 965 HE1 TRP 35 HE1 TRP 35 -1.267 -2.362 -7.116 966 HE3 TRP 35 HE3 TRP 35 -4.006 0.124 -10.925 967 HZ2 TRP 35 HZ2 TRP 35 0.366 -1.638 -9.351 968 HZ3 TRP 35 HZ3 TRP 35 -1.986 0.358 -12.342 969 HH2 TRP 35 HH2 TRP 35 0.198 -0.518 -11.561 970 H HIS 36 H HIS 36 -6.056 -0.542 -11.252 971 HA HIS 36 HA HIS 36 -3.842 -2.057 -12.427 972 1HB HIS 36 1HB HIS 36 -6.053 -3.391 -12.638 973 2HB HIS 36 2HB HIS 36 -6.504 -2.184 -13.839 974 HD1 HIS 36 HD1 HIS 36 -5.744 -2.680 -16.163 975 HD2 HIS 36 HD2 HIS 36 -3.348 -4.570 -13.329 976 HE1 HIS 36 HE1 HIS 36 -4.068 -4.072 -17.457 977 H TRP 37 H TRP 37 -3.921 -1.378 -14.976 978 HA TRP 37 HA TRP 37 -3.604 1.531 -14.961 979 1HB TRP 37 1HB TRP 37 -3.385 -0.560 -17.150 980 2HB TRP 37 2HB TRP 37 -2.807 1.104 -17.270 981 HD1 TRP 37 HD1 TRP 37 -1.331 -2.042 -16.842 982 HE1 TRP 37 HE1 TRP 37 0.752 -2.006 -15.324 983 HE3 TRP 37 HE3 TRP 37 -1.999 2.465 -14.534 984 HZ2 TRP 37 HZ2 TRP 37 1.975 -0.291 -13.388 985 HZ3 TRP 37 HZ3 TRP 37 -0.362 3.275 -12.857 986 HH2 TRP 37 HH2 TRP 37 1.622 1.902 -12.282 987 H THR 38 H THR 38 -5.613 2.561 -14.853 988 HA THR 38 HA THR 38 -7.326 2.333 -17.268 989 HB THR 38 HB THR 38 -8.309 0.682 -15.840 990 HG1 THR 38 HG1 THR 38 -9.581 2.801 -16.509 991 1HG2 THR 38 1HG2 THR 38 -8.828 1.148 -13.465 992 2HG2 THR 38 2HG2 THR 38 -8.069 2.733 -13.624 993 3HG2 THR 38 3HG2 THR 38 -7.099 1.270 -13.791 994 H GLY 39 H GLY 39 -8.359 4.298 -17.719 995 1HA GLY 39 1HA GLY 39 -7.413 6.664 -16.379 996 2HA GLY 39 2HA GLY 39 -8.680 6.624 -17.605 997 H HIS 40 H HIS 40 -10.366 4.747 -16.137 998 HA HIS 40 HA HIS 40 -10.975 5.644 -13.495 999 1HB HIS 40 1HB HIS 40 -12.096 7.584 -13.851 1000 2HB HIS 40 2HB HIS 40 -11.498 7.533 -15.507 1001 HD1 HIS 40 HD1 HIS 40 -14.472 6.362 -13.445 1002 HD2 HIS 40 HD2 HIS 40 -13.488 7.143 -17.419 1003 HE1 HIS 40 HE1 HIS 40 -16.622 6.162 -14.768 1004 H ASN 41 H ASN 41 -12.134 4.371 -16.571 1005 HA ASN 41 HA ASN 41 -13.356 2.062 -15.337 1006 1HB ASN 41 1HB ASN 41 -14.867 4.071 -14.769 1007 2HB ASN 41 2HB ASN 41 -15.281 4.096 -16.484 1008 1HD2 ASN 41 1HD2 ASN 41 -15.222 1.844 -13.666 1009 2HD2 ASN 41 2HD2 ASN 41 -16.552 0.927 -14.187 1010 H VAL 42 H VAL 42 -12.840 0.625 -16.947 1011 HA VAL 42 HA VAL 42 -13.509 1.381 -19.773 1012 HB VAL 42 HB VAL 42 -11.400 -0.190 -20.166 1013 1HG1 VAL 42 1HG1 VAL 42 -10.774 2.543 -19.089 1014 2HG1 VAL 42 2HG1 VAL 42 -11.796 2.388 -20.518 1015 3HG1 VAL 42 3HG1 VAL 42 -10.153 1.747 -20.536 1016 1HG2 VAL 42 1HG2 VAL 42 -9.830 -0.258 -18.413 1017 2HG2 VAL 42 2HG2 VAL 42 -11.355 -0.535 -17.572 1018 3HG2 VAL 42 3HG2 VAL 42 -10.607 1.062 -17.539 1019 H LYS 43 H LYS 43 -13.299 -0.847 -21.125 1020 HA LYS 43 HA LYS 43 -15.250 -2.683 -19.889 1021 1HB LYS 43 1HB LYS 43 -13.906 -2.564 -22.609 1022 2HB LYS 43 2HB LYS 43 -15.244 -3.635 -22.190 1023 1HG LYS 43 1HG LYS 43 -16.701 -1.745 -21.762 1024 2HG LYS 43 2HG LYS 43 -15.365 -0.614 -21.979 1025 1HD LYS 43 1HD LYS 43 -15.171 -1.833 -24.336 1026 2HD LYS 43 2HD LYS 43 -16.873 -2.183 -24.033 1027 1HE LYS 43 1HE LYS 43 -16.797 0.459 -23.359 1028 2HE LYS 43 2HE LYS 43 -15.572 0.409 -24.643 1029 1HZ LYS 43 1HZ LYS 43 -17.925 0.673 -25.437 1030 2HZ LYS 43 2HZ LYS 43 -18.223 -0.903 -24.879 1031 3HZ LYS 43 3HZ LYS 43 -17.084 -0.638 -26.112 1032 H HIS 44 H HIS 44 -11.992 -2.962 -21.366 1033 HA HIS 44 HA HIS 44 -11.353 -5.596 -21.152 1034 1HB HIS 44 1HB HIS 44 -9.945 -3.039 -20.693 1035 2HB HIS 44 2HB HIS 44 -9.128 -4.456 -20.035 1036 HD1 HIS 44 HD1 HIS 44 -9.934 -2.746 -23.216 1037 HD2 HIS 44 HD2 HIS 44 -8.526 -6.492 -22.046 1038 HE1 HIS 44 HE1 HIS 44 -9.014 -3.850 -25.302 1039 H LYS 45 H LYS 45 -10.988 -7.124 -19.543 1040 HA LYS 45 HA LYS 45 -12.019 -6.535 -16.862 1041 1HB LYS 45 1HB LYS 45 -10.752 -9.014 -18.076 1042 2HB LYS 45 2HB LYS 45 -11.696 -8.961 -16.586 1043 1HG LYS 45 1HG LYS 45 -13.675 -8.229 -17.824 1044 2HG LYS 45 2HG LYS 45 -12.744 -8.174 -19.321 1045 1HD LYS 45 1HD LYS 45 -12.239 -10.642 -18.960 1046 2HD LYS 45 2HD LYS 45 -13.447 -10.615 -17.675 1047 1HE LYS 45 1HE LYS 45 -14.936 -11.091 -19.343 1048 2HE LYS 45 2HE LYS 45 -14.772 -9.379 -19.779 1049 1HZ LYS 45 1HZ LYS 45 -13.093 -11.620 -20.777 1050 2HZ LYS 45 2HZ LYS 45 -12.827 -9.978 -21.126 1051 3HZ LYS 45 3HZ LYS 45 -14.235 -10.749 -21.678 1052 H SER 46 H SER 46 -9.671 -5.006 -17.372 1053 HA SER 46 HA SER 46 -7.212 -6.133 -16.547 1054 1HB SER 46 1HB SER 46 -7.274 -3.556 -15.514 1055 2HB SER 46 2HB SER 46 -6.842 -3.981 -17.168 1056 HG SER 46 HG SER 46 -8.493 -2.547 -17.337 1057 H ALA 47 H ALA 47 -6.358 -6.616 -14.508 1058 HA ALA 47 HA ALA 47 -7.575 -5.697 -12.030 1059 1HB ALA 47 1HB ALA 47 -9.281 -7.280 -12.701 1060 2HB ALA 47 2HB ALA 47 -8.066 -8.509 -13.050 1061 3HB ALA 47 3HB ALA 47 -8.363 -8.010 -11.384 1062 H ILE 48 H ILE 48 -5.746 -5.498 -10.799 1063 HA ILE 48 HA ILE 48 -3.856 -7.815 -10.693 1064 HB ILE 48 HB ILE 48 -3.374 -4.948 -11.455 1065 1HG1 ILE 48 1HG1 ILE 48 -2.529 -7.683 -12.423 1066 2HG1 ILE 48 2HG1 ILE 48 -3.458 -6.455 -13.282 1067 1HG2 ILE 48 1HG2 ILE 48 -0.997 -5.170 -10.923 1068 2HG2 ILE 48 2HG2 ILE 48 -1.266 -6.788 -10.279 1069 3HG2 ILE 48 3HG2 ILE 48 -1.950 -5.387 -9.455 1070 1HD1 ILE 48 1HD1 ILE 48 -1.268 -6.325 -14.204 1071 2HD1 ILE 48 2HD1 ILE 48 -0.510 -6.431 -12.615 1072 3HD1 ILE 48 3HD1 ILE 48 -1.374 -4.967 -13.085 1073 H VAL 49 H VAL 49 -2.613 -7.876 -8.706 1074 HA VAL 49 HA VAL 49 -3.519 -6.007 -6.553 1075 HB VAL 49 HB VAL 49 -3.421 -9.040 -6.457 1076 1HG1 VAL 49 1HG1 VAL 49 -4.063 -6.912 -4.413 1077 2HG1 VAL 49 2HG1 VAL 49 -2.936 -8.262 -4.271 1078 3HG1 VAL 49 3HG1 VAL 49 -4.675 -8.558 -4.256 1079 1HG2 VAL 49 1HG2 VAL 49 -5.686 -7.042 -6.663 1080 2HG2 VAL 49 2HG2 VAL 49 -5.934 -8.703 -6.124 1081 3HG2 VAL 49 3HG2 VAL 49 -5.326 -8.386 -7.749 1082 H THR 50 H THR 50 -1.663 -5.125 -5.737 1083 HA THR 50 HA THR 50 0.899 -6.613 -5.925 1084 HB THR 50 HB THR 50 0.175 -3.802 -5.032 1085 HG1 THR 50 HG1 THR 50 0.866 -3.248 -7.089 1086 1HG2 THR 50 1HG2 THR 50 2.738 -3.605 -5.741 1087 2HG2 THR 50 2HG2 THR 50 2.745 -5.303 -5.260 1088 3HG2 THR 50 3HG2 THR 50 2.269 -4.059 -4.102 1089 H LEU 51 H LEU 51 2.266 -6.818 -3.987 1090 HA LEU 51 HA LEU 51 0.784 -6.651 -1.391 1091 1HB LEU 51 1HB LEU 51 1.748 -8.973 -2.894 1092 2HB LEU 51 2HB LEU 51 2.370 -8.935 -1.243 1093 HG LEU 51 HG LEU 51 -0.520 -8.309 -1.611 1094 1HD1 LEU 51 1HD1 LEU 51 0.501 -10.554 -2.882 1095 2HD1 LEU 51 2HD1 LEU 51 -1.168 -10.347 -2.356 1096 3HD1 LEU 51 3HD1 LEU 51 -0.014 -11.181 -1.316 1097 1HD2 LEU 51 1HD2 LEU 51 0.355 -8.265 0.620 1098 2HD2 LEU 51 2HD2 LEU 51 1.198 -9.797 0.391 1099 3HD2 LEU 51 3HD2 LEU 51 -0.563 -9.764 0.487 1100 H THR 52 H THR 52 2.056 -5.788 0.229 1101 HA THR 52 HA THR 52 4.882 -5.141 -0.436 1102 HB THR 52 HB THR 52 4.417 -3.867 1.869 1103 HG1 THR 52 HG1 THR 52 1.836 -3.770 0.877 1104 1HG2 THR 52 1HG2 THR 52 3.832 -3.277 -0.959 1105 2HG2 THR 52 2HG2 THR 52 4.755 -2.345 0.220 1106 3HG2 THR 52 3HG2 THR 52 2.994 -2.236 0.193 1107 H TYR 53 H TYR 53 6.497 -6.384 0.403 1108 HA TYR 53 HA TYR 53 5.876 -8.195 2.698 1109 1HB TYR 53 1HB TYR 53 7.889 -8.147 0.446 1110 2HB TYR 53 2HB TYR 53 8.100 -9.216 1.831 1111 HD1 TYR 53 HD1 TYR 53 6.032 -8.455 -1.119 1112 HD2 TYR 53 HD2 TYR 53 6.561 -11.072 2.248 1113 HE1 TYR 53 HE1 TYR 53 4.430 -10.064 -2.118 1114 HE2 TYR 53 HE2 TYR 53 4.958 -12.680 1.249 1115 HH TYR 53 HH TYR 53 3.225 -11.921 -1.757 1116 H ASP 54 H ASP 54 7.217 -8.138 4.557 1117 HA ASP 54 HA ASP 54 8.542 -5.598 5.115 1118 1HB ASP 54 1HB ASP 54 8.398 -8.187 6.694 1119 2HB ASP 54 2HB ASP 54 8.778 -6.590 7.342 1120 H SER 55 H SER 55 9.559 -8.490 3.650 1121 HA SER 55 HA SER 55 12.338 -7.637 3.584 1122 1HB SER 55 1HB SER 55 13.198 -9.521 4.949 1123 2HB SER 55 2HB SER 55 12.141 -8.480 5.900 1124 HG SER 55 HG SER 55 11.608 -10.671 6.186 1125 H GLU 56 H GLU 56 13.267 -8.554 1.772 1126 HA GLU 56 HA GLU 56 11.850 -10.056 -0.125 1127 1HB GLU 56 1HB GLU 56 14.798 -9.827 0.535 1128 2HB GLU 56 2HB GLU 56 14.211 -10.629 -0.922 1129 1HG GLU 56 1HG GLU 56 13.012 -8.546 -1.560 1130 2HG GLU 56 2HG GLU 56 13.684 -7.748 -0.137 1131 H TRP 57 H TRP 57 13.861 -11.217 2.575 1132 HA TRP 57 HA TRP 57 14.005 -13.963 1.955 1133 1HB TRP 57 1HB TRP 57 14.964 -12.522 3.899 1134 2HB TRP 57 2HB TRP 57 13.449 -12.893 4.724 1135 HD1 TRP 57 HD1 TRP 57 13.434 -15.052 6.058 1136 HE1 TRP 57 HE1 TRP 57 14.843 -17.211 6.094 1137 HE3 TRP 57 HE3 TRP 57 16.511 -14.161 2.082 1138 HZ2 TRP 57 HZ2 TRP 57 16.992 -18.403 4.627 1139 HZ3 TRP 57 HZ3 TRP 57 18.229 -15.823 1.422 1140 HH2 TRP 57 HH2 TRP 57 18.472 -17.940 2.689 1141 H GLN 58 H GLN 58 11.550 -12.411 4.062 1142 HA GLN 58 HA GLN 58 9.829 -14.654 4.294 1143 1HB GLN 58 1HB GLN 58 9.929 -12.342 5.489 1144 2HB GLN 58 2HB GLN 58 8.888 -11.791 4.176 1145 1HG GLN 58 1HG GLN 58 7.179 -13.366 4.743 1146 2HG GLN 58 2HG GLN 58 8.251 -14.231 5.845 1147 1HE2 GLN 58 1HE2 GLN 58 6.638 -11.051 5.405 1148 2HE2 GLN 58 2HE2 GLN 58 6.575 -10.683 7.060 1149 H ARG 59 H ARG 59 10.165 -12.281 1.709 1150 HA ARG 59 HA ARG 59 7.687 -12.649 0.371 1151 1HB ARG 59 1HB ARG 59 9.351 -10.894 -0.106 1152 2HB ARG 59 2HB ARG 59 10.466 -12.113 -0.721 1153 1HG ARG 59 1HG ARG 59 8.629 -12.759 -2.376 1154 2HG ARG 59 2HG ARG 59 7.809 -11.275 -1.891 1155 1HD ARG 59 1HD ARG 59 9.126 -10.724 -3.839 1156 2HD ARG 59 2HD ARG 59 10.002 -10.055 -2.447 1157 HE ARG 59 HE ARG 59 10.824 -12.770 -2.883 1158 1HH1 ARG 59 1HH1 ARG 59 12.048 -9.743 -2.827 1159 2HH1 ARG 59 2HH1 ARG 59 13.160 -9.929 -4.143 1160 1HH2 ARG 59 1HH2 ARG 59 11.836 -12.960 -5.181 1161 2HH2 ARG 59 2HH2 ARG 59 13.040 -11.750 -5.475 1162 H ASP 60 H ASP 60 10.796 -14.378 -0.139 1163 HA ASP 60 HA ASP 60 9.879 -16.108 -2.206 1164 1HB ASP 60 1HB ASP 60 11.925 -17.242 -1.820 1165 2HB ASP 60 2HB ASP 60 12.242 -15.586 -1.306 1166 H GLN 61 H GLN 61 9.639 -16.398 1.323 1167 HA GLN 61 HA GLN 61 8.828 -19.153 1.404 1168 1HB GLN 61 1HB GLN 61 8.242 -16.789 3.219 1169 2HB GLN 61 2HB GLN 61 8.011 -18.479 3.665 1170 1HG GLN 61 1HG GLN 61 10.494 -18.792 3.029 1171 2HG GLN 61 2HG GLN 61 10.596 -17.032 3.093 1172 1HE2 GLN 61 1HE2 GLN 61 11.822 -16.843 5.046 1173 2HE2 GLN 61 2HE2 GLN 61 11.247 -17.375 6.552 1174 H PHE 62 H PHE 62 6.931 -16.125 1.366 1175 HA PHE 62 HA PHE 62 4.332 -17.211 1.483 1176 1HB PHE 62 1HB PHE 62 4.864 -14.842 1.689 1177 2HB PHE 62 2HB PHE 62 5.461 -14.800 0.029 1178 HD1 PHE 62 HD1 PHE 62 2.509 -14.774 2.174 1179 HD2 PHE 62 HD2 PHE 62 3.889 -15.111 -1.881 1180 HE1 PHE 62 HE1 PHE 62 0.213 -14.311 1.354 1181 HE2 PHE 62 HE2 PHE 62 1.595 -14.647 -2.701 1182 HZ PHE 62 HZ PHE 62 -0.243 -14.247 -1.084 1183 H LEU 63 H LEU 63 5.885 -16.052 -1.533 1184 HA LEU 63 HA LEU 63 4.060 -17.302 -3.312 1185 1HB LEU 63 1HB LEU 63 5.946 -16.938 -4.946 1186 2HB LEU 63 2HB LEU 63 5.575 -15.520 -3.966 1187 HG LEU 63 HG LEU 63 7.403 -16.697 -2.364 1188 1HD1 LEU 63 1HD1 LEU 63 7.902 -18.563 -3.794 1189 2HD1 LEU 63 2HD1 LEU 63 9.266 -17.452 -3.918 1190 3HD1 LEU 63 3HD1 LEU 63 8.062 -17.515 -5.204 1191 1HD2 LEU 63 1HD2 LEU 63 8.675 -14.864 -2.889 1192 2HD2 LEU 63 2HD2 LEU 63 7.236 -14.400 -3.797 1193 3HD2 LEU 63 3HD2 LEU 63 8.586 -15.176 -4.623 1194 H SER 64 H SER 64 6.648 -18.666 -1.449 1195 HA SER 64 HA SER 64 7.037 -21.009 -3.170 1196 1HB SER 64 1HB SER 64 8.921 -20.387 -1.916 1197 2HB SER 64 2HB SER 64 7.965 -20.024 -0.482 1198 HG SER 64 HG SER 64 8.315 -21.997 0.117 1199 H GLN 65 H GLN 65 4.880 -20.079 -0.599 1200 HA GLN 65 HA GLN 65 4.133 -22.894 -0.016 1201 1HB GLN 65 1HB GLN 65 3.126 -20.257 1.104 1202 2HB GLN 65 2HB GLN 65 2.853 -21.856 1.795 1203 1HG GLN 65 1HG GLN 65 5.679 -21.443 1.352 1204 2HG GLN 65 2HG GLN 65 5.018 -20.125 2.322 1205 1HE2 GLN 65 1HE2 GLN 65 5.352 -20.632 4.493 1206 2HE2 GLN 65 2HE2 GLN 65 5.083 -22.157 5.187 1207 H VAL 66 H VAL 66 2.091 -19.985 -0.415 1208 HA VAL 66 HA VAL 66 -0.237 -21.229 -1.300 1209 HB VAL 66 HB VAL 66 -0.712 -19.028 -2.351 1210 1HG1 VAL 66 1HG1 VAL 66 -0.942 -18.091 -0.302 1211 2HG1 VAL 66 2HG1 VAL 66 0.797 -18.117 -0.006 1212 3HG1 VAL 66 3HG1 VAL 66 -0.172 -19.555 0.311 1213 1HG2 VAL 66 1HG2 VAL 66 1.120 -18.185 -3.434 1214 2HG2 VAL 66 2HG2 VAL 66 2.252 -18.934 -2.308 1215 3HG2 VAL 66 3HG2 VAL 66 1.439 -17.432 -1.870 1216 H LYS 67 H LYS 67 -0.772 -22.358 -3.140 1217 HA LYS 67 HA LYS 67 1.216 -22.866 -5.192 1218 1HB LYS 67 1HB LYS 67 -0.787 -24.275 -4.210 1219 2HB LYS 67 2HB LYS 67 -1.717 -23.457 -5.467 1220 1HG LYS 67 1HG LYS 67 -0.848 -24.791 -7.059 1221 2HG LYS 67 2HG LYS 67 0.794 -24.398 -6.548 1222 1HD LYS 67 1HD LYS 67 0.835 -26.156 -4.949 1223 2HD LYS 67 2HD LYS 67 -0.913 -26.380 -5.036 1224 1HE LYS 67 1HE LYS 67 -0.251 -26.796 -7.646 1225 2HE LYS 67 2HE LYS 67 1.203 -27.414 -6.839 1226 1HZ LYS 67 1HZ LYS 67 0.043 -29.008 -5.741 1227 2HZ LYS 67 2HZ LYS 67 -0.980 -28.875 -7.091 1228 3HZ LYS 67 3HZ LYS 67 -1.374 -28.082 -5.641 1229 H ILE 68 H ILE 68 1.709 -21.209 -6.590 1230 HA ILE 68 HA ILE 68 -0.390 -19.335 -7.512 1231 HB ILE 68 HB ILE 68 2.596 -19.594 -8.003 1232 1HG1 ILE 68 1HG1 ILE 68 1.273 -17.358 -6.510 1233 2HG1 ILE 68 2HG1 ILE 68 1.463 -18.910 -5.693 1234 1HG2 ILE 68 1HG2 ILE 68 2.505 -17.833 -9.443 1235 2HG2 ILE 68 2HG2 ILE 68 1.240 -17.024 -8.519 1236 3HG2 ILE 68 3HG2 ILE 68 0.820 -18.310 -9.651 1237 1HD1 ILE 68 1HD1 ILE 68 3.400 -16.942 -5.850 1238 2HD1 ILE 68 2HD1 ILE 68 3.877 -18.060 -7.127 1239 3HD1 ILE 68 3HD1 ILE 68 3.700 -18.637 -5.469 1240 HA PRO 69 HA PRO 69 -1.244 -22.023 -10.954 1241 1HB PRO 69 1HB PRO 69 -2.619 -20.205 -12.465 1242 2HB PRO 69 2HB PRO 69 -3.341 -21.061 -11.088 1243 1HG PRO 69 1HG PRO 69 -2.285 -18.289 -11.250 1244 2HG PRO 69 2HG PRO 69 -3.691 -18.916 -10.373 1245 1HD PRO 69 1HD PRO 69 -1.294 -18.336 -9.194 1246 2HD PRO 69 2HD PRO 69 -2.449 -19.527 -8.561 1247 H LYS 70 H LYS 70 -0.997 -21.625 -13.485 1248 HA LYS 70 HA LYS 70 1.705 -20.479 -13.883 1249 1HB LYS 70 1HB LYS 70 -0.188 -22.092 -15.625 1250 2HB LYS 70 2HB LYS 70 1.469 -21.676 -16.066 1251 1HG LYS 70 1HG LYS 70 0.697 -23.239 -13.586 1252 2HG LYS 70 2HG LYS 70 1.279 -23.966 -15.083 1253 1HD LYS 70 1HD LYS 70 3.233 -22.156 -14.717 1254 2HD LYS 70 2HD LYS 70 2.769 -22.401 -13.033 1255 1HE LYS 70 1HE LYS 70 3.304 -24.705 -13.092 1256 2HE LYS 70 2HE LYS 70 3.276 -24.752 -14.867 1257 1HZ LYS 70 1HZ LYS 70 5.310 -23.829 -15.020 1258 2HZ LYS 70 2HZ LYS 70 5.514 -24.428 -13.443 1259 3HZ LYS 70 3HZ LYS 70 5.075 -22.804 -13.688 1260 H THR 71 H THR 71 -1.562 -19.546 -14.321 1261 HA THR 71 HA THR 71 -1.090 -17.820 -16.658 1262 HB THR 71 HB THR 71 -3.436 -17.889 -14.742 1263 HG1 THR 71 HG1 THR 71 -4.242 -19.524 -16.073 1264 1HG2 THR 71 1HG2 THR 71 -3.293 -17.318 -17.713 1265 2HG2 THR 71 2HG2 THR 71 -3.297 -16.068 -16.468 1266 3HG2 THR 71 3HG2 THR 71 -4.696 -17.124 -16.662 1267 H ILE 72 H ILE 72 -0.768 -17.577 -13.226 1268 HA ILE 72 HA ILE 72 -0.990 -14.618 -13.227 1269 HB ILE 72 HB ILE 72 -0.777 -16.845 -11.219 1270 1HG1 ILE 72 1HG1 ILE 72 -2.810 -15.911 -10.388 1271 2HG1 ILE 72 2HG1 ILE 72 -2.551 -14.394 -11.250 1272 1HG2 ILE 72 1HG2 ILE 72 -0.808 -14.588 -9.651 1273 2HG2 ILE 72 2HG2 ILE 72 0.325 -14.127 -10.922 1274 3HG2 ILE 72 3HG2 ILE 72 0.621 -15.574 -9.957 1275 1HD1 ILE 72 1HD1 ILE 72 -2.829 -17.015 -12.723 1276 2HD1 ILE 72 2HD1 ILE 72 -3.017 -15.379 -13.354 1277 3HD1 ILE 72 3HD1 ILE 72 -4.239 -16.054 -12.276 1278 H THR 73 H THR 73 0.814 -13.467 -13.740 1279 HA THR 73 HA THR 73 3.495 -14.727 -13.522 1280 HB THR 73 HB THR 73 2.928 -11.957 -14.541 1281 HG1 THR 73 HG1 THR 73 2.276 -14.414 -15.794 1282 1HG2 THR 73 1HG2 THR 73 5.104 -12.274 -15.061 1283 2HG2 THR 73 2HG2 THR 73 4.519 -13.355 -16.326 1284 3HG2 THR 73 3HG2 THR 73 5.003 -14.010 -14.762 1285 H VAL 74 H VAL 74 5.048 -14.017 -12.053 1286 HA VAL 74 HA VAL 74 4.120 -12.224 -9.893 1287 HB VAL 74 HB VAL 74 5.210 -14.383 -9.430 1288 1HG1 VAL 74 1HG1 VAL 74 6.861 -15.041 -10.814 1289 2HG1 VAL 74 2HG1 VAL 74 7.912 -13.868 -10.022 1290 3HG1 VAL 74 3HG1 VAL 74 7.022 -13.414 -11.476 1291 1HG2 VAL 74 1HG2 VAL 74 7.231 -12.280 -8.680 1292 2HG2 VAL 74 2HG2 VAL 74 6.603 -13.611 -7.707 1293 3HG2 VAL 74 3HG2 VAL 74 5.593 -12.202 -8.031 1294 H SER 75 H SER 75 5.825 -10.633 -9.053 1295 HA SER 75 HA SER 75 7.476 -9.428 -11.227 1296 1HB SER 75 1HB SER 75 4.918 -8.532 -10.394 1297 2HB SER 75 2HB SER 75 6.087 -7.367 -9.780 1298 HG SER 75 HG SER 75 5.318 -7.928 -12.353 1299 H THR 76 H THR 76 9.076 -7.893 -10.397 1300 HA THR 76 HA THR 76 9.511 -8.025 -7.437 1301 HB THR 76 HB THR 76 11.905 -8.416 -7.938 1302 HG1 THR 76 HG1 THR 76 11.156 -8.852 -10.613 1303 1HG2 THR 76 1HG2 THR 76 10.533 -10.379 -7.581 1304 2HG2 THR 76 2HG2 THR 76 11.649 -10.721 -8.903 1305 3HG2 THR 76 3HG2 THR 76 9.964 -10.335 -9.250 1306 H GLY 77 H GLY 77 10.029 -6.020 -6.573 1307 1HA GLY 77 1HA GLY 77 11.441 -3.988 -8.078 1308 2HA GLY 77 2HA GLY 77 9.722 -3.614 -7.944 1309 H PHE 78 H PHE 78 10.704 -1.719 -6.687 1310 HA PHE 78 HA PHE 78 10.698 -2.426 -3.796 1311 1HB PHE 78 1HB PHE 78 12.869 -0.871 -5.239 1312 2HB PHE 78 2HB PHE 78 12.776 -1.089 -3.491 1313 HD1 PHE 78 HD1 PHE 78 14.036 -2.435 -6.534 1314 HD2 PHE 78 HD2 PHE 78 12.597 -3.565 -2.647 1315 HE1 PHE 78 HE1 PHE 78 15.195 -4.618 -6.739 1316 HE2 PHE 78 HE2 PHE 78 13.755 -5.748 -2.852 1317 HZ PHE 78 HZ PHE 78 15.055 -6.275 -4.898 1318 H MET 79 H MET 79 10.007 -0.669 -2.472 1319 HA MET 79 HA MET 79 9.107 1.787 -3.950 1320 1HB MET 79 1HB MET 79 7.742 -0.163 -2.182 1321 2HB MET 79 2HB MET 79 7.364 1.530 -1.865 1322 1HG MET 79 1HG MET 79 7.169 0.166 -4.567 1323 2HG MET 79 2HG MET 79 5.805 0.564 -3.522 1324 1HE MET 79 1HE MET 79 5.166 3.998 -3.493 1325 2HE MET 79 2HE MET 79 5.454 2.570 -2.503 1326 3HE MET 79 3HE MET 79 6.642 3.881 -2.537 1327 H SER 80 H SER 80 9.189 3.761 -2.686 1328 HA SER 80 HA SER 80 10.778 3.561 -0.150 1329 1HB SER 80 1HB SER 80 11.136 5.953 -1.839 1330 2HB SER 80 2HB SER 80 12.347 4.961 -1.032 1331 HG SER 80 HG SER 80 12.276 4.894 -3.414 1332 H ILE 81 H ILE 81 9.173 4.077 1.331 1333 HA ILE 81 HA ILE 81 8.014 6.803 1.156 1334 HB ILE 81 HB ILE 81 5.744 5.957 1.373 1335 1HG1 ILE 81 1HG1 ILE 81 7.087 3.237 1.479 1336 2HG1 ILE 81 2HG1 ILE 81 6.185 4.016 2.780 1337 1HG2 ILE 81 1HG2 ILE 81 6.890 6.013 -0.912 1338 2HG2 ILE 81 2HG2 ILE 81 5.470 4.976 -0.790 1339 3HG2 ILE 81 3HG2 ILE 81 7.085 4.268 -0.751 1340 1HD1 ILE 81 1HD1 ILE 81 5.117 2.978 0.147 1341 2HD1 ILE 81 2HD1 ILE 81 4.189 4.058 1.187 1342 3HD1 ILE 81 3HD1 ILE 81 4.669 2.466 1.774 Start of MODEL 3 1 1H MET 1 1H MET 1 15.231 1.331 -15.550 2 2H MET 1 2H MET 1 15.930 0.839 -14.081 3 3H MET 1 3H MET 1 15.250 2.389 -14.223 4 HA MET 1 HA MET 1 13.655 -0.101 -14.526 5 1HB MET 1 1HB MET 1 14.317 1.623 -12.119 6 2HB MET 1 2HB MET 1 13.014 0.436 -12.135 7 1HG MET 1 1HG MET 1 15.035 -1.096 -13.079 8 2HG MET 1 2HG MET 1 15.951 0.017 -12.062 9 1HE MET 1 1HE MET 1 15.675 0.601 -10.035 10 2HE MET 1 2HE MET 1 14.492 0.094 -8.832 11 3HE MET 1 3HE MET 1 16.004 -0.803 -9.022 12 H THR 2 H THR 2 11.322 0.618 -13.738 13 HA THR 2 HA THR 2 10.640 3.068 -15.273 14 HB THR 2 HB THR 2 8.339 1.771 -14.266 15 HG1 THR 2 HG1 THR 2 8.743 -0.340 -14.509 16 1HG2 THR 2 1HG2 THR 2 8.622 2.755 -16.506 17 2HG2 THR 2 2HG2 THR 2 8.068 1.084 -16.619 18 3HG2 THR 2 3HG2 THR 2 9.759 1.475 -16.927 19 HA PRO 3 HA PRO 3 10.572 5.299 -11.406 20 1HB PRO 3 1HB PRO 3 9.207 7.474 -12.342 21 2HB PRO 3 2HB PRO 3 10.943 7.231 -12.628 22 1HG PRO 3 1HG PRO 3 8.638 6.720 -14.441 23 2HG PRO 3 2HG PRO 3 10.232 7.400 -14.807 24 1HD PRO 3 1HD PRO 3 9.549 4.825 -15.342 25 2HD PRO 3 2HD PRO 3 11.211 5.340 -14.988 26 H ILE 4 H ILE 4 8.937 5.568 -9.818 27 HA ILE 4 HA ILE 4 6.100 5.122 -10.640 28 HB ILE 4 HB ILE 4 5.992 3.446 -8.721 29 1HG1 ILE 4 1HG1 ILE 4 8.848 2.854 -8.900 30 2HG1 ILE 4 2HG1 ILE 4 8.544 4.449 -8.208 31 1HG2 ILE 4 1HG2 ILE 4 7.853 2.020 -10.340 32 2HG2 ILE 4 2HG2 ILE 4 6.997 3.148 -11.391 33 3HG2 ILE 4 3HG2 ILE 4 6.093 1.984 -10.426 34 1HD1 ILE 4 1HD1 ILE 4 7.457 3.595 -6.364 35 2HD1 ILE 4 2HD1 ILE 4 8.523 2.232 -6.703 36 3HD1 ILE 4 3HD1 ILE 4 6.845 2.194 -7.243 37 H VAL 5 H VAL 5 5.199 7.010 -9.846 38 HA VAL 5 HA VAL 5 6.167 8.143 -7.279 39 HB VAL 5 HB VAL 5 4.115 9.096 -9.304 40 1HG1 VAL 5 1HG1 VAL 5 3.739 10.192 -7.202 41 2HG1 VAL 5 2HG1 VAL 5 4.643 11.327 -8.204 42 3HG1 VAL 5 3HG1 VAL 5 5.468 10.417 -6.939 43 1HG2 VAL 5 1HG2 VAL 5 6.211 9.027 -10.429 44 2HG2 VAL 5 2HG2 VAL 5 7.087 9.563 -8.996 45 3HG2 VAL 5 3HG2 VAL 5 6.054 10.693 -9.873 46 H HIS 6 H HIS 6 4.686 8.562 -5.527 47 HA HIS 6 HA HIS 6 2.086 7.081 -5.645 48 1HB HIS 6 1HB HIS 6 4.484 6.488 -4.159 49 2HB HIS 6 2HB HIS 6 3.183 6.878 -3.034 50 HD1 HIS 6 HD1 HIS 6 2.544 4.539 -2.282 51 HD2 HIS 6 HD2 HIS 6 2.631 4.914 -6.433 52 HE1 HIS 6 HE1 HIS 6 1.562 2.399 -3.215 53 H LEU 7 H LEU 7 0.530 8.606 -5.255 54 HA LEU 7 HA LEU 7 1.188 10.862 -3.393 55 1HB LEU 7 1HB LEU 7 -0.663 10.538 -5.766 56 2HB LEU 7 2HB LEU 7 -0.755 11.930 -4.687 57 HG LEU 7 HG LEU 7 1.987 11.564 -5.341 58 1HD1 LEU 7 1HD1 LEU 7 2.109 11.133 -7.570 59 2HD1 LEU 7 2HD1 LEU 7 0.658 12.071 -7.923 60 3HD1 LEU 7 3HD1 LEU 7 0.516 10.408 -7.352 61 1HD2 LEU 7 1HD2 LEU 7 1.845 13.819 -5.767 62 2HD2 LEU 7 2HD2 LEU 7 0.288 13.629 -4.961 63 3HD2 LEU 7 3HD2 LEU 7 0.373 13.649 -6.723 64 H LYS 8 H LYS 8 -0.277 11.309 -1.703 65 HA LYS 8 HA LYS 8 -2.697 9.582 -1.454 66 1HB LYS 8 1HB LYS 8 -0.696 8.516 -0.374 67 2HB LYS 8 2HB LYS 8 -0.564 9.927 0.676 68 1HG LYS 8 1HG LYS 8 -2.694 9.489 1.681 69 2HG LYS 8 2HG LYS 8 -3.085 8.268 0.471 70 1HD LYS 8 1HD LYS 8 -1.354 6.796 1.302 71 2HD LYS 8 2HD LYS 8 -0.757 8.043 2.397 72 1HE LYS 8 1HE LYS 8 -3.609 7.574 2.792 73 2HE LYS 8 2HE LYS 8 -2.658 6.095 3.032 74 1HZ LYS 8 1HZ LYS 8 -1.542 6.978 4.760 75 2HZ LYS 8 2HZ LYS 8 -2.879 8.020 4.877 76 3HZ LYS 8 3HZ LYS 8 -1.471 8.527 4.073 77 H GLY 9 H GLY 9 -4.040 10.366 0.482 78 1HA GLY 9 1HA GLY 9 -3.910 12.562 2.021 79 2HA GLY 9 2HA GLY 9 -4.089 13.325 0.441 80 H ASP 10 H ASP 10 -6.172 14.168 1.209 81 HA ASP 10 HA ASP 10 -8.333 12.490 2.070 82 1HB ASP 10 1HB ASP 10 -8.094 15.213 0.777 83 2HB ASP 10 2HB ASP 10 -9.658 14.544 1.243 84 H ALA 11 H ALA 11 -9.432 11.006 0.861 85 HA ALA 11 HA ALA 11 -8.990 10.338 -1.813 86 1HB ALA 11 1HB ALA 11 -10.217 8.968 -0.206 87 2HB ALA 11 2HB ALA 11 -11.509 10.167 -0.127 88 3HB ALA 11 3HB ALA 11 -11.242 9.254 -1.613 89 H ASN 12 H ASN 12 -11.462 12.591 -0.536 90 HA ASN 12 HA ASN 12 -12.743 13.194 -3.004 91 1HB ASN 12 1HB ASN 12 -12.279 14.718 -0.429 92 2HB ASN 12 2HB ASN 12 -13.320 15.331 -1.715 93 1HD2 ASN 12 1HD2 ASN 12 -14.284 14.572 0.933 94 2HD2 ASN 12 2HD2 ASN 12 -15.339 13.259 0.727 95 H THR 13 H THR 13 -10.045 14.897 -1.364 96 HA THR 13 HA THR 13 -9.655 16.951 -3.279 97 HB THR 13 HB THR 13 -7.862 15.463 -1.353 98 HG1 THR 13 HG1 THR 13 -8.004 17.737 -0.486 99 1HG2 THR 13 1HG2 THR 13 -6.243 17.363 -1.714 100 2HG2 THR 13 2HG2 THR 13 -7.189 17.821 -3.130 101 3HG2 THR 13 3HG2 THR 13 -6.376 16.258 -3.082 102 H LEU 14 H LEU 14 -8.699 13.565 -3.332 103 HA LEU 14 HA LEU 14 -6.709 13.717 -5.394 104 1HB LEU 14 1HB LEU 14 -8.640 11.526 -4.556 105 2HB LEU 14 2HB LEU 14 -7.211 11.275 -5.559 106 HG LEU 14 HG LEU 14 -7.169 12.432 -2.757 107 1HD1 LEU 14 1HD1 LEU 14 -6.000 9.774 -3.489 108 2HD1 LEU 14 2HD1 LEU 14 -7.741 9.881 -3.230 109 3HD1 LEU 14 3HD1 LEU 14 -6.628 10.331 -1.939 110 1HD2 LEU 14 1HD2 LEU 14 -4.681 11.342 -3.716 111 2HD2 LEU 14 2HD2 LEU 14 -5.035 12.995 -3.211 112 3HD2 LEU 14 3HD2 LEU 14 -5.291 12.512 -4.887 113 H LYS 15 H LYS 15 -10.232 13.598 -5.458 114 HA LYS 15 HA LYS 15 -10.645 12.852 -8.173 115 1HB LYS 15 1HB LYS 15 -12.182 13.391 -6.026 116 2HB LYS 15 2HB LYS 15 -12.376 14.915 -6.892 117 1HG LYS 15 1HG LYS 15 -12.922 13.525 -8.959 118 2HG LYS 15 2HG LYS 15 -13.026 12.131 -7.883 119 1HD LYS 15 1HD LYS 15 -14.515 14.305 -6.735 120 2HD LYS 15 2HD LYS 15 -15.037 14.071 -8.404 121 1HE LYS 15 1HE LYS 15 -15.635 11.796 -8.014 122 2HE LYS 15 2HE LYS 15 -14.750 11.750 -6.475 123 1HZ LYS 15 1HZ LYS 15 -16.946 13.674 -6.969 124 2HZ LYS 15 2HZ LYS 15 -16.258 13.222 -5.482 125 3HZ LYS 15 3HZ LYS 15 -17.244 12.131 -6.333 126 H CYS 16 H CYS 16 -9.934 16.007 -6.693 127 HA CYS 16 HA CYS 16 -10.346 17.575 -9.082 128 1HB CYS 16 1HB CYS 16 -10.194 18.181 -6.540 129 2HB CYS 16 2HB CYS 16 -8.459 18.277 -6.843 130 HG CYS 16 HG CYS 16 -8.957 20.124 -8.662 131 H LEU 17 H LEU 17 -7.443 16.083 -7.619 132 HA LEU 17 HA LEU 17 -5.494 17.195 -9.361 133 1HB LEU 17 1HB LEU 17 -5.792 14.668 -7.752 134 2HB LEU 17 2HB LEU 17 -4.367 14.896 -8.766 135 HG LEU 17 HG LEU 17 -5.034 17.263 -7.164 136 1HD1 LEU 17 1HD1 LEU 17 -5.327 16.276 -5.163 137 2HD1 LEU 17 2HD1 LEU 17 -3.725 15.554 -5.319 138 3HD1 LEU 17 3HD1 LEU 17 -5.146 14.681 -5.895 139 1HD2 LEU 17 1HD2 LEU 17 -2.542 16.829 -6.558 140 2HD2 LEU 17 2HD2 LEU 17 -2.928 17.246 -8.228 141 3HD2 LEU 17 3HD2 LEU 17 -2.620 15.566 -7.787 142 H ARG 18 H ARG 18 -7.222 14.066 -9.651 143 HA ARG 18 HA ARG 18 -6.180 13.140 -12.075 144 1HB ARG 18 1HB ARG 18 -7.906 12.117 -10.484 145 2HB ARG 18 2HB ARG 18 -9.116 13.070 -11.346 146 1HG ARG 18 1HG ARG 18 -7.747 11.947 -13.430 147 2HG ARG 18 2HG ARG 18 -7.642 10.665 -12.223 148 1HD ARG 18 1HD ARG 18 -10.209 11.095 -11.903 149 2HD ARG 18 2HD ARG 18 -10.095 11.851 -13.505 150 HE ARG 18 HE ARG 18 -9.350 9.014 -12.918 151 1HH1 ARG 18 1HH1 ARG 18 -11.260 11.005 -14.788 152 2HH1 ARG 18 2HH1 ARG 18 -10.859 10.279 -16.308 153 1HH2 ARG 18 1HH2 ARG 18 -8.316 8.318 -14.999 154 2HH2 ARG 18 2HH2 ARG 18 -9.193 8.757 -16.427 155 H TYR 19 H TYR 19 -8.402 15.809 -11.536 156 HA TYR 19 HA TYR 19 -9.424 16.076 -14.199 157 1HB TYR 19 1HB TYR 19 -10.353 17.154 -12.184 158 2HB TYR 19 2HB TYR 19 -8.890 18.122 -12.020 159 HD1 TYR 19 HD1 TYR 19 -11.975 17.609 -13.961 160 HD2 TYR 19 HD2 TYR 19 -8.389 19.945 -13.565 161 HE1 TYR 19 HE1 TYR 19 -12.915 19.314 -15.500 162 HE2 TYR 19 HE2 TYR 19 -9.329 21.648 -15.105 163 HH TYR 19 HH TYR 19 -12.130 21.079 -16.986 164 H ARG 20 H ARG 20 -6.364 16.971 -12.743 165 HA ARG 20 HA ARG 20 -5.602 18.789 -14.924 166 1HB ARG 20 1HB ARG 20 -4.192 17.557 -12.539 167 2HB ARG 20 2HB ARG 20 -3.416 18.702 -13.634 168 1HG ARG 20 1HG ARG 20 -4.801 20.470 -12.981 169 2HG ARG 20 2HG ARG 20 -6.066 19.390 -12.393 170 1HD ARG 20 1HD ARG 20 -4.723 18.765 -10.463 171 2HD ARG 20 2HD ARG 20 -3.335 19.679 -11.087 172 HE ARG 20 HE ARG 20 -5.482 21.490 -11.030 173 1HH1 ARG 20 1HH1 ARG 20 -2.780 21.273 -9.382 174 2HH1 ARG 20 2HH1 ARG 20 -3.409 21.559 -7.794 175 1HH2 ARG 20 1HH2 ARG 20 -6.716 21.113 -8.735 176 2HH2 ARG 20 2HH2 ARG 20 -5.637 21.471 -7.428 177 H PHE 21 H PHE 21 -5.276 15.396 -14.124 178 HA PHE 21 HA PHE 21 -3.037 14.750 -15.807 179 1HB PHE 21 1HB PHE 21 -5.436 13.119 -14.911 180 2HB PHE 21 2HB PHE 21 -3.923 12.454 -15.522 181 HD1 PHE 21 HD1 PHE 21 -2.813 15.247 -13.902 182 HD2 PHE 21 HD2 PHE 21 -4.615 11.455 -12.982 183 HE1 PHE 21 HE1 PHE 21 -1.848 15.340 -11.620 184 HE2 PHE 21 HE2 PHE 21 -3.650 11.550 -10.700 185 HZ PHE 21 HZ PHE 21 -2.266 13.492 -10.018 186 H LYS 22 H LYS 22 -6.406 15.385 -16.491 187 HA LYS 22 HA LYS 22 -6.678 13.966 -18.959 188 1HB LYS 22 1HB LYS 22 -7.939 16.352 -17.633 189 2HB LYS 22 2HB LYS 22 -8.386 15.950 -19.291 190 1HG LYS 22 1HG LYS 22 -8.598 14.136 -16.872 191 2HG LYS 22 2HG LYS 22 -9.934 14.836 -17.787 192 1HD LYS 22 1HD LYS 22 -8.749 13.627 -19.824 193 2HD LYS 22 2HD LYS 22 -8.078 12.610 -18.548 194 1HE LYS 22 1HE LYS 22 -10.562 12.468 -17.705 195 2HE LYS 22 2HE LYS 22 -10.955 12.951 -19.367 196 1HZ LYS 22 1HZ LYS 22 -9.834 11.128 -20.249 197 2HZ LYS 22 2HZ LYS 22 -10.639 10.468 -18.906 198 3HZ LYS 22 3HZ LYS 22 -8.979 10.823 -18.816 199 H LYS 23 H LYS 23 -5.697 17.352 -18.313 200 HA LYS 23 HA LYS 23 -5.157 17.923 -21.117 201 1HB LYS 23 1HB LYS 23 -4.309 19.294 -18.541 202 2HB LYS 23 2HB LYS 23 -4.246 20.014 -20.150 203 1HG LYS 23 1HG LYS 23 -6.793 18.965 -18.887 204 2HG LYS 23 2HG LYS 23 -6.288 20.654 -18.808 205 1HD LYS 23 1HD LYS 23 -6.040 20.325 -21.443 206 2HD LYS 23 2HD LYS 23 -7.244 19.070 -21.154 207 1HE LYS 23 1HE LYS 23 -8.028 21.393 -19.669 208 2HE LYS 23 2HE LYS 23 -7.688 21.882 -21.342 209 1HZ LYS 23 1HZ LYS 23 -9.611 19.895 -20.344 210 2HZ LYS 23 2HZ LYS 23 -8.910 19.661 -21.875 211 3HZ LYS 23 3HZ LYS 23 -9.810 21.067 -21.556 212 H HIS 24 H HIS 24 -3.393 16.454 -18.513 213 HA HIS 24 HA HIS 24 -0.770 16.863 -19.848 214 1HB HIS 24 1HB HIS 24 -1.499 15.394 -17.296 215 2HB HIS 24 2HB HIS 24 0.101 15.960 -17.770 216 HD1 HIS 24 HD1 HIS 24 -1.115 16.974 -15.138 217 HD2 HIS 24 HD2 HIS 24 -1.558 18.956 -18.778 218 HE1 HIS 24 HE1 HIS 24 -1.642 19.387 -14.580 219 H CYS 25 H CYS 25 -2.710 15.238 -21.258 220 HA CYS 25 HA CYS 25 -2.505 12.447 -20.837 221 1HB CYS 25 1HB CYS 25 -3.268 12.317 -23.128 222 2HB CYS 25 2HB CYS 25 -3.991 13.761 -22.418 223 HG CYS 25 HG CYS 25 -1.823 15.037 -23.573 224 H THR 26 H THR 26 -0.296 14.672 -22.521 225 HA THR 26 HA THR 26 1.502 12.405 -23.215 226 HB THR 26 HB THR 26 0.918 14.099 -24.906 227 HG1 THR 26 HG1 THR 26 3.559 14.049 -23.922 228 1HG2 THR 26 1HG2 THR 26 2.168 16.409 -24.342 229 2HG2 THR 26 2HG2 THR 26 1.744 15.917 -22.702 230 3HG2 THR 26 3HG2 THR 26 0.481 16.121 -23.916 231 H LEU 27 H LEU 27 1.763 12.318 -20.656 232 HA LEU 27 HA LEU 27 4.289 13.758 -20.035 233 1HB LEU 27 1HB LEU 27 1.612 14.146 -18.794 234 2HB LEU 27 2HB LEU 27 2.982 14.080 -17.686 235 HG LEU 27 HG LEU 27 2.739 15.914 -20.090 236 1HD1 LEU 27 1HD1 LEU 27 3.041 17.492 -17.877 237 2HD1 LEU 27 2HD1 LEU 27 2.080 16.168 -17.221 238 3HD1 LEU 27 3HD1 LEU 27 1.483 17.091 -18.600 239 1HD2 LEU 27 1HD2 LEU 27 4.939 15.360 -18.104 240 2HD2 LEU 27 2HD2 LEU 27 4.807 16.941 -18.874 241 3HD2 LEU 27 3HD2 LEU 27 5.045 15.496 -19.859 242 H TYR 28 H TYR 28 1.830 11.429 -18.883 243 HA TYR 28 HA TYR 28 4.014 9.898 -17.525 244 1HB TYR 28 1HB TYR 28 2.060 8.851 -16.328 245 2HB TYR 28 2HB TYR 28 2.171 10.596 -16.098 246 HD1 TYR 28 HD1 TYR 28 0.520 12.098 -17.024 247 HD2 TYR 28 HD2 TYR 28 0.371 7.887 -17.864 248 HE1 TYR 28 HE1 TYR 28 -1.766 12.364 -17.950 249 HE2 TYR 28 HE2 TYR 28 -1.913 8.152 -18.793 250 HH TYR 28 HH TYR 28 -3.746 9.615 -18.767 251 H THR 29 H THR 29 3.622 7.416 -17.646 252 HA THR 29 HA THR 29 3.074 6.730 -20.493 253 HB THR 29 HB THR 29 4.151 4.647 -18.752 254 HG1 THR 29 HG1 THR 29 6.081 5.762 -18.309 255 1HG2 THR 29 1HG2 THR 29 4.488 4.434 -21.080 256 2HG2 THR 29 2HG2 THR 29 6.059 4.951 -20.468 257 3HG2 THR 29 3HG2 THR 29 4.989 6.116 -21.247 258 H ALA 30 H ALA 30 2.043 5.904 -17.190 259 HA ALA 30 HA ALA 30 -0.435 4.735 -18.269 260 1HB ALA 30 1HB ALA 30 -0.005 2.506 -17.494 261 2HB ALA 30 2HB ALA 30 1.434 2.998 -18.388 262 3HB ALA 30 3HB ALA 30 1.440 3.020 -16.625 263 H VAL 31 H VAL 31 -1.931 5.630 -16.909 264 HA VAL 31 HA VAL 31 -1.220 6.259 -14.105 265 HB VAL 31 HB VAL 31 -2.477 7.760 -15.758 266 1HG1 VAL 31 1HG1 VAL 31 -4.725 5.841 -15.067 267 2HG1 VAL 31 2HG1 VAL 31 -3.950 5.964 -16.647 268 3HG1 VAL 31 3HG1 VAL 31 -4.878 7.323 -16.012 269 1HG2 VAL 31 1HG2 VAL 31 -2.463 7.874 -13.166 270 2HG2 VAL 31 2HG2 VAL 31 -4.087 7.194 -13.271 271 3HG2 VAL 31 3HG2 VAL 31 -3.733 8.750 -14.019 272 H SER 32 H SER 32 -1.850 4.968 -12.405 273 HA SER 32 HA SER 32 -3.322 2.479 -12.967 274 1HB SER 32 1HB SER 32 -2.740 2.081 -10.550 275 2HB SER 32 2HB SER 32 -1.342 2.466 -11.551 276 HG SER 32 HG SER 32 -2.698 4.606 -10.414 277 H SER 33 H SER 33 -5.350 1.938 -11.998 278 HA SER 33 HA SER 33 -7.273 4.028 -11.713 279 1HB SER 33 1HB SER 33 -7.549 1.529 -12.234 280 2HB SER 33 2HB SER 33 -7.408 1.257 -10.499 281 HG SER 33 HG SER 33 -9.575 1.810 -11.750 282 H THR 34 H THR 34 -8.466 4.580 -9.698 283 HA THR 34 HA THR 34 -6.715 5.326 -7.533 284 HB THR 34 HB THR 34 -9.707 5.108 -7.313 285 HG1 THR 34 HG1 THR 34 -9.865 6.929 -8.642 286 1HG2 THR 34 1HG2 THR 34 -9.506 6.933 -5.923 287 2HG2 THR 34 2HG2 THR 34 -8.105 7.569 -6.785 288 3HG2 THR 34 3HG2 THR 34 -7.916 6.214 -5.674 289 H TRP 35 H TRP 35 -6.098 4.103 -5.788 290 HA TRP 35 HA TRP 35 -7.872 1.911 -4.837 291 1HB TRP 35 1HB TRP 35 -6.084 0.290 -5.017 292 2HB TRP 35 2HB TRP 35 -6.222 1.090 -6.582 293 HD1 TRP 35 HD1 TRP 35 -4.403 3.042 -7.111 294 HE1 TRP 35 HE1 TRP 35 -1.962 3.291 -6.318 295 HE3 TRP 35 HE3 TRP 35 -4.438 -0.156 -3.131 296 HZ2 TRP 35 HZ2 TRP 35 -0.250 2.268 -4.266 297 HZ3 TRP 35 HZ3 TRP 35 -2.392 -0.503 -1.774 298 HH2 TRP 35 HH2 TRP 35 -0.299 0.705 -2.337 299 H HIS 36 H HIS 36 -6.594 0.901 -2.783 300 HA HIS 36 HA HIS 36 -4.948 2.852 -1.330 301 1HB HIS 36 1HB HIS 36 -6.995 3.952 -0.956 302 2HB HIS 36 2HB HIS 36 -7.897 2.441 -0.872 303 HD1 HIS 36 HD1 HIS 36 -8.267 1.463 1.410 304 HD2 HIS 36 HD2 HIS 36 -5.292 4.382 1.427 305 HE1 HIS 36 HE1 HIS 36 -7.655 1.847 3.836 306 H TRP 37 H TRP 37 -4.559 2.005 0.978 307 HA TRP 37 HA TRP 37 -4.005 -0.863 0.861 308 1HB TRP 37 1HB TRP 37 -3.602 1.392 2.828 309 2HB TRP 37 2HB TRP 37 -3.191 -0.268 3.253 310 HD1 TRP 37 HD1 TRP 37 -1.647 2.686 1.869 311 HE1 TRP 37 HE1 TRP 37 0.468 2.114 0.510 312 HE3 TRP 37 HE3 TRP 37 -2.294 -2.348 1.313 313 HZ2 TRP 37 HZ2 TRP 37 1.721 -0.180 -0.657 314 HZ3 TRP 37 HZ3 TRP 37 -0.628 -3.702 0.074 315 HH2 TRP 37 HH2 TRP 37 1.377 -2.625 -0.911 316 H THR 38 H THR 38 -5.738 -2.232 1.179 317 HA THR 38 HA THR 38 -8.045 -1.518 2.806 318 HB THR 38 HB THR 38 -8.055 -2.990 0.784 319 HG1 THR 38 HG1 THR 38 -9.769 -3.694 1.734 320 1HG2 THR 38 1HG2 THR 38 -6.299 -4.626 2.584 321 2HG2 THR 38 2HG2 THR 38 -6.104 -4.263 0.869 322 3HG2 THR 38 3HG2 THR 38 -7.314 -5.435 1.392 323 H GLY 39 H GLY 39 -8.429 -4.066 4.086 324 1HA GLY 39 1HA GLY 39 -6.718 -5.306 5.688 325 2HA GLY 39 2HA GLY 39 -6.613 -3.696 6.403 326 H HIS 40 H HIS 40 -7.727 -6.257 7.521 327 HA HIS 40 HA HIS 40 -10.517 -6.386 7.634 328 1HB HIS 40 1HB HIS 40 -8.655 -7.783 8.760 329 2HB HIS 40 2HB HIS 40 -8.733 -6.598 10.065 330 HD1 HIS 40 HD1 HIS 40 -10.317 -9.647 8.878 331 HD2 HIS 40 HD2 HIS 40 -11.518 -6.369 11.156 332 HE1 HIS 40 HE1 HIS 40 -12.430 -10.349 10.087 333 H ASN 41 H ASN 41 -8.368 -4.027 9.147 334 HA ASN 41 HA ASN 41 -10.763 -2.668 10.338 335 1HB ASN 41 1HB ASN 41 -7.932 -3.122 11.143 336 2HB ASN 41 2HB ASN 41 -8.626 -1.558 11.574 337 1HD2 ASN 41 1HD2 ASN 41 -9.934 -4.932 11.510 338 2HD2 ASN 41 2HD2 ASN 41 -10.548 -4.873 13.092 339 H VAL 42 H VAL 42 -11.202 -0.586 9.634 340 HA VAL 42 HA VAL 42 -9.225 0.660 7.750 341 HB VAL 42 HB VAL 42 -11.941 1.644 7.497 342 1HG1 VAL 42 1HG1 VAL 42 -10.851 1.901 5.524 343 2HG1 VAL 42 2HG1 VAL 42 -11.353 0.238 5.213 344 3HG1 VAL 42 3HG1 VAL 42 -9.744 0.568 5.857 345 1HG2 VAL 42 1HG2 VAL 42 -12.757 -0.457 8.320 346 2HG2 VAL 42 2HG2 VAL 42 -11.537 -1.358 7.421 347 3HG2 VAL 42 3HG2 VAL 42 -12.851 -0.556 6.562 348 H LYS 43 H LYS 43 -10.262 3.195 7.591 349 HA LYS 43 HA LYS 43 -10.652 4.208 10.356 350 1HB LYS 43 1HB LYS 43 -8.181 3.926 9.819 351 2HB LYS 43 2HB LYS 43 -8.392 5.158 8.573 352 1HG LYS 43 1HG LYS 43 -9.293 6.700 10.337 353 2HG LYS 43 2HG LYS 43 -8.874 5.486 11.546 354 1HD LYS 43 1HD LYS 43 -6.501 5.566 10.556 355 2HD LYS 43 2HD LYS 43 -7.017 7.048 9.749 356 1HE LYS 43 1HE LYS 43 -7.762 7.876 12.065 357 2HE LYS 43 2HE LYS 43 -6.828 6.519 12.724 358 1HZ LYS 43 1HZ LYS 43 -5.775 8.910 12.020 359 2HZ LYS 43 2HZ LYS 43 -5.475 7.973 10.635 360 3HZ LYS 43 3HZ LYS 43 -4.896 7.465 12.150 361 H HIS 44 H HIS 44 -9.613 5.699 7.270 362 HA HIS 44 HA HIS 44 -12.263 7.038 7.036 363 1HB HIS 44 1HB HIS 44 -9.765 8.187 8.012 364 2HB HIS 44 2HB HIS 44 -10.372 9.059 6.604 365 HD1 HIS 44 HD1 HIS 44 -12.974 9.833 6.785 366 HD2 HIS 44 HD2 HIS 44 -11.125 8.761 10.364 367 HE1 HIS 44 HE1 HIS 44 -14.416 10.769 8.644 368 H LYS 45 H LYS 45 -11.791 8.740 4.994 369 HA LYS 45 HA LYS 45 -11.337 6.983 2.718 370 1HB LYS 45 1HB LYS 45 -12.392 9.616 3.348 371 2HB LYS 45 2HB LYS 45 -11.378 9.681 1.906 372 1HG LYS 45 1HG LYS 45 -12.679 8.018 0.796 373 2HG LYS 45 2HG LYS 45 -13.518 7.579 2.285 374 1HD LYS 45 1HD LYS 45 -14.327 10.043 2.306 375 2HD LYS 45 2HD LYS 45 -13.838 10.066 0.611 376 1HE LYS 45 1HE LYS 45 -15.443 8.459 -0.008 377 2HE LYS 45 2HE LYS 45 -15.612 7.856 1.653 378 1HZ LYS 45 1HZ LYS 45 -17.386 9.242 1.644 379 2HZ LYS 45 2HZ LYS 45 -16.757 10.237 0.421 380 3HZ LYS 45 3HZ LYS 45 -16.212 10.406 2.021 381 H SER 46 H SER 46 -9.213 6.368 2.347 382 HA SER 46 HA SER 46 -7.153 8.551 2.290 383 1HB SER 46 1HB SER 46 -6.419 5.705 2.811 384 2HB SER 46 2HB SER 46 -5.720 7.179 3.474 385 HG SER 46 HG SER 46 -6.903 6.660 5.142 386 H ALA 47 H ALA 47 -8.897 7.306 0.120 387 HA ALA 47 HA ALA 47 -7.831 5.498 -1.606 388 1HB ALA 47 1HB ALA 47 -8.710 6.926 -3.403 389 2HB ALA 47 2HB ALA 47 -9.773 7.013 -1.997 390 3HB ALA 47 3HB ALA 47 -8.648 8.330 -2.337 391 H ILE 48 H ILE 48 -6.078 5.357 -3.060 392 HA ILE 48 HA ILE 48 -4.127 7.620 -3.117 393 HB ILE 48 HB ILE 48 -3.315 4.748 -2.634 394 1HG1 ILE 48 1HG1 ILE 48 -3.854 6.869 -0.530 395 2HG1 ILE 48 2HG1 ILE 48 -4.883 5.469 -0.835 396 1HG2 ILE 48 1HG2 ILE 48 -1.218 5.620 -2.180 397 2HG2 ILE 48 2HG2 ILE 48 -1.865 7.169 -1.640 398 3HG2 ILE 48 3HG2 ILE 48 -1.787 6.799 -3.362 399 1HD1 ILE 48 1HD1 ILE 48 -3.041 3.957 -0.274 400 2HD1 ILE 48 2HD1 ILE 48 -3.313 5.081 1.056 401 3HD1 ILE 48 3HD1 ILE 48 -1.958 5.329 -0.044 402 H VAL 49 H VAL 49 -2.638 7.439 -4.968 403 HA VAL 49 HA VAL 49 -3.411 5.394 -7.004 404 HB VAL 49 HB VAL 49 -4.378 7.954 -6.986 405 1HG1 VAL 49 1HG1 VAL 49 -2.178 8.047 -9.043 406 2HG1 VAL 49 2HG1 VAL 49 -1.912 8.662 -7.412 407 3HG1 VAL 49 3HG1 VAL 49 -3.168 9.370 -8.427 408 1HG2 VAL 49 1HG2 VAL 49 -5.380 7.262 -8.904 409 2HG2 VAL 49 2HG2 VAL 49 -4.546 5.740 -8.591 410 3HG2 VAL 49 3HG2 VAL 49 -3.841 6.921 -9.694 411 H THR 50 H THR 50 -1.806 5.765 -8.994 412 HA THR 50 HA THR 50 0.923 6.518 -8.067 413 HB THR 50 HB THR 50 0.025 3.812 -9.116 414 HG1 THR 50 HG1 THR 50 0.918 3.157 -7.097 415 1HG2 THR 50 1HG2 THR 50 2.510 5.124 -9.491 416 2HG2 THR 50 2HG2 THR 50 2.118 3.440 -9.837 417 3HG2 THR 50 3HG2 THR 50 2.765 3.888 -8.259 418 H LEU 51 H LEU 51 2.363 6.934 -9.894 419 HA LEU 51 HA LEU 51 1.014 6.950 -12.570 420 1HB LEU 51 1HB LEU 51 2.214 9.131 -10.920 421 2HB LEU 51 2HB LEU 51 2.468 9.208 -12.664 422 HG LEU 51 HG LEU 51 -0.282 8.517 -12.072 423 1HD1 LEU 51 1HD1 LEU 51 -0.540 9.776 -10.193 424 2HD1 LEU 51 2HD1 LEU 51 -0.482 11.142 -11.306 425 3HD1 LEU 51 3HD1 LEU 51 0.976 10.639 -10.451 426 1HD2 LEU 51 1HD2 LEU 51 0.478 11.154 -13.223 427 2HD2 LEU 51 2HD2 LEU 51 -0.656 9.947 -13.830 428 3HD2 LEU 51 3HD2 LEU 51 1.078 9.730 -14.073 429 H THR 52 H THR 52 2.301 6.016 -14.108 430 HA THR 52 HA THR 52 5.140 5.432 -13.437 431 HB THR 52 HB THR 52 3.529 4.508 -15.824 432 HG1 THR 52 HG1 THR 52 3.362 2.644 -14.112 433 1HG2 THR 52 1HG2 THR 52 5.489 2.846 -14.302 434 2HG2 THR 52 2HG2 THR 52 6.117 4.131 -15.334 435 3HG2 THR 52 3HG2 THR 52 5.123 2.850 -16.027 436 H TYR 53 H TYR 53 6.751 6.639 -14.354 437 HA TYR 53 HA TYR 53 6.050 8.425 -16.654 438 1HB TYR 53 1HB TYR 53 8.181 8.481 -14.498 439 2HB TYR 53 2HB TYR 53 8.152 9.614 -15.848 440 HD1 TYR 53 HD1 TYR 53 6.092 8.322 -13.011 441 HD2 TYR 53 HD2 TYR 53 6.771 11.526 -15.792 442 HE1 TYR 53 HE1 TYR 53 4.437 9.720 -11.804 443 HE2 TYR 53 HE2 TYR 53 5.116 12.924 -14.585 444 HH TYR 53 HH TYR 53 4.211 12.677 -11.760 445 H ASP 54 H ASP 54 7.402 8.417 -18.506 446 HA ASP 54 HA ASP 54 8.691 5.913 -19.163 447 1HB ASP 54 1HB ASP 54 7.747 8.292 -20.421 448 2HB ASP 54 2HB ASP 54 9.425 8.063 -20.915 449 H SER 55 H SER 55 9.789 8.550 -17.349 450 HA SER 55 HA SER 55 12.485 7.532 -17.184 451 1HB SER 55 1HB SER 55 13.598 8.880 -18.692 452 2HB SER 55 2HB SER 55 12.043 8.794 -19.515 453 HG SER 55 HG SER 55 11.619 10.804 -18.947 454 H GLU 56 H GLU 56 13.933 9.264 -16.037 455 HA GLU 56 HA GLU 56 12.477 10.269 -13.728 456 1HB GLU 56 1HB GLU 56 15.283 10.107 -14.741 457 2HB GLU 56 2HB GLU 56 14.952 11.273 -13.458 458 1HG GLU 56 1HG GLU 56 13.614 9.085 -12.523 459 2HG GLU 56 2HG GLU 56 14.962 8.318 -13.363 460 H TRP 57 H TRP 57 14.198 11.815 -16.459 461 HA TRP 57 HA TRP 57 13.905 14.521 -15.732 462 1HB TRP 57 1HB TRP 57 15.219 13.711 -17.626 463 2HB TRP 57 2HB TRP 57 13.761 13.129 -18.427 464 HD1 TRP 57 HD1 TRP 57 12.349 14.823 -19.778 465 HE1 TRP 57 HE1 TRP 57 12.618 17.321 -20.361 466 HE3 TRP 57 HE3 TRP 57 16.173 16.061 -16.623 467 HZ2 TRP 57 HZ2 TRP 57 14.241 19.548 -19.593 468 HZ3 TRP 57 HZ3 TRP 57 17.059 18.376 -16.569 469 HH2 TRP 57 HH2 TRP 57 16.099 20.119 -18.050 470 H GLN 58 H GLN 58 11.661 12.529 -17.683 471 HA GLN 58 HA GLN 58 9.642 14.459 -18.098 472 1HB GLN 58 1HB GLN 58 9.962 12.119 -19.060 473 2HB GLN 58 2HB GLN 58 9.241 11.503 -17.573 474 1HG GLN 58 1HG GLN 58 7.225 12.894 -18.008 475 2HG GLN 58 2HG GLN 58 7.939 13.411 -19.536 476 1HE2 GLN 58 1HE2 GLN 58 6.131 12.323 -20.697 477 2HE2 GLN 58 2HE2 GLN 58 6.129 10.635 -20.871 478 H ARG 59 H ARG 59 10.117 12.248 -15.331 479 HA ARG 59 HA ARG 59 7.689 12.780 -13.953 480 1HB ARG 59 1HB ARG 59 9.130 10.971 -13.317 481 2HB ARG 59 2HB ARG 59 10.497 12.060 -13.077 482 1HG ARG 59 1HG ARG 59 9.577 12.973 -11.102 483 2HG ARG 59 2HG ARG 59 7.961 12.370 -11.473 484 1HD ARG 59 1HD ARG 59 8.492 10.647 -10.070 485 2HD ARG 59 2HD ARG 59 9.486 10.047 -11.412 486 HE ARG 59 HE ARG 59 10.582 11.956 -9.381 487 1HH1 ARG 59 1HH2 ARG 59 10.566 8.711 -9.709 488 2HH1 ARG 59 2HH2 ARG 59 12.262 8.507 -9.994 489 1HH2 ARG 59 1HH1 ARG 59 12.862 11.889 -10.461 490 2HH2 ARG 59 2HH1 ARG 59 13.560 10.304 -10.423 491 H ASP 60 H ASP 60 10.814 14.506 -13.857 492 HA ASP 60 HA ASP 60 10.182 16.314 -11.747 493 1HB ASP 60 1HB ASP 60 12.266 17.092 -12.253 494 2HB ASP 60 2HB ASP 60 12.323 15.717 -13.352 495 H GLN 61 H GLN 61 9.603 16.557 -15.257 496 HA GLN 61 HA GLN 61 8.657 19.264 -15.256 497 1HB GLN 61 1HB GLN 61 7.895 16.952 -17.066 498 2HB GLN 61 2HB GLN 61 7.853 18.667 -17.474 499 1HG GLN 61 1HG GLN 61 10.401 18.578 -16.787 500 2HG GLN 61 2HG GLN 61 10.222 16.859 -17.138 501 1HE2 GLN 61 1HE2 GLN 61 10.024 16.221 -19.346 502 2HE2 GLN 61 2HE2 GLN 61 10.081 17.320 -20.638 503 H PHE 62 H PHE 62 6.907 16.149 -14.994 504 HA PHE 62 HA PHE 62 4.260 17.133 -14.990 505 1HB PHE 62 1HB PHE 62 4.921 14.761 -15.070 506 2HB PHE 62 2HB PHE 62 5.519 14.862 -13.413 507 HD1 PHE 62 HD1 PHE 62 2.479 15.068 -15.535 508 HD2 PHE 62 HD2 PHE 62 4.026 14.787 -11.537 509 HE1 PHE 62 HE1 PHE 62 0.197 14.603 -14.685 510 HE2 PHE 62 HE2 PHE 62 1.743 14.320 -10.687 511 HZ PHE 62 HZ PHE 62 -0.170 14.228 -12.261 512 H LEU 63 H LEU 63 6.559 16.819 -12.275 513 HA LEU 63 HA LEU 63 4.820 17.616 -10.167 514 1HB LEU 63 1HB LEU 63 7.752 17.573 -10.739 515 2HB LEU 63 2HB LEU 63 7.215 18.499 -9.339 516 HG LEU 63 HG LEU 63 6.222 15.691 -9.777 517 1HD1 LEU 63 1HD1 LEU 63 8.268 14.835 -9.403 518 2HD1 LEU 63 2HD1 LEU 63 8.333 15.698 -7.866 519 3HD1 LEU 63 3HD1 LEU 63 8.953 16.458 -9.331 520 1HD2 LEU 63 1HD2 LEU 63 5.162 16.190 -7.850 521 2HD2 LEU 63 2HD2 LEU 63 5.952 17.765 -7.794 522 3HD2 LEU 63 3HD2 LEU 63 6.731 16.361 -7.064 523 H SER 64 H SER 64 6.021 19.432 -12.819 524 HA SER 64 HA SER 64 5.735 22.032 -11.393 525 1HB SER 64 1HB SER 64 6.995 22.895 -13.192 526 2HB SER 64 2HB SER 64 7.655 21.277 -12.983 527 HG SER 64 HG SER 64 7.072 21.892 -15.185 528 H GLN 65 H GLN 65 3.964 19.915 -13.450 529 HA GLN 65 HA GLN 65 2.237 22.101 -14.496 530 1HB GLN 65 1HB GLN 65 1.974 19.123 -14.953 531 2HB GLN 65 2HB GLN 65 1.470 20.439 -16.014 532 1HG GLN 65 1HG GLN 65 4.349 19.814 -15.302 533 2HG GLN 65 2HG GLN 65 3.559 19.318 -16.797 534 1HE2 GLN 65 1HE2 GLN 65 4.597 20.663 -18.319 535 2HE2 GLN 65 2HE2 GLN 65 4.603 22.358 -18.235 536 H VAL 66 H VAL 66 2.388 19.902 -11.881 537 HA VAL 66 HA VAL 66 -0.504 20.407 -11.275 538 HB VAL 66 HB VAL 66 -0.429 18.040 -10.315 539 1HG1 VAL 66 1HG1 VAL 66 -1.589 18.237 -12.348 540 2HG1 VAL 66 2HG1 VAL 66 -0.370 17.018 -12.715 541 3HG1 VAL 66 3HG1 VAL 66 -0.137 18.685 -13.242 542 1HG2 VAL 66 1HG2 VAL 66 1.774 17.294 -12.098 543 2HG2 VAL 66 2HG2 VAL 66 1.475 16.815 -10.426 544 3HG2 VAL 66 3HG2 VAL 66 2.296 18.337 -10.775 545 H LYS 67 H LYS 67 -0.247 21.879 -9.591 546 HA LYS 67 HA LYS 67 1.909 21.937 -7.721 547 1HB LYS 67 1HB LYS 67 0.495 23.848 -8.111 548 2HB LYS 67 2HB LYS 67 -0.952 22.935 -7.673 549 1HG LYS 67 1HG LYS 67 -0.414 24.259 -5.756 550 2HG LYS 67 2HG LYS 67 0.109 22.619 -5.371 551 1HD LYS 67 1HD LYS 67 2.405 23.334 -6.316 552 2HD LYS 67 2HD LYS 67 1.802 24.985 -6.170 553 1HE LYS 67 1HE LYS 67 2.617 24.844 -4.031 554 2HE LYS 67 2HE LYS 67 1.133 23.922 -3.713 555 1HZ LYS 67 1HZ LYS 67 2.897 22.521 -3.069 556 2HZ LYS 67 2HZ LYS 67 3.802 22.872 -4.463 557 3HZ LYS 67 3HZ LYS 67 2.389 21.935 -4.577 558 H ILE 68 H ILE 68 2.341 20.514 -6.088 559 HA ILE 68 HA ILE 68 0.299 18.545 -5.259 560 HB ILE 68 HB ILE 68 3.224 19.004 -4.593 561 1HG1 ILE 68 1HG1 ILE 68 2.892 18.321 -6.894 562 2HG1 ILE 68 2HG1 ILE 68 3.469 16.919 -5.992 563 1HG2 ILE 68 1HG2 ILE 68 1.781 17.812 -2.819 564 2HG2 ILE 68 2HG2 ILE 68 3.213 16.957 -3.393 565 3HG2 ILE 68 3HG2 ILE 68 1.617 16.516 -4.004 566 1HD1 ILE 68 1HD1 ILE 68 1.673 15.860 -6.896 567 2HD1 ILE 68 2HD1 ILE 68 0.859 17.376 -7.284 568 3HD1 ILE 68 3HD1 ILE 68 0.754 16.710 -5.655 569 HA PRO 69 HA PRO 69 -0.871 21.381 -1.984 570 1HB PRO 69 1HB PRO 69 -2.542 19.636 -0.700 571 2HB PRO 69 2HB PRO 69 -3.024 20.557 -2.139 572 1HG PRO 69 1HG PRO 69 -2.164 17.721 -1.911 573 2HG PRO 69 2HG PRO 69 -3.414 18.443 -2.933 574 1HD PRO 69 1HD PRO 69 -0.944 17.740 -3.844 575 2HD PRO 69 2HD PRO 69 -1.927 19.033 -4.561 576 H LYS 70 H LYS 70 -0.317 21.481 0.272 577 HA LYS 70 HA LYS 70 1.958 19.904 1.080 578 1HB LYS 70 1HB LYS 70 0.087 21.865 2.425 579 2HB LYS 70 2HB LYS 70 1.457 21.151 3.277 580 1HG LYS 70 1HG LYS 70 2.987 22.017 1.539 581 2HG LYS 70 2HG LYS 70 1.615 22.745 0.701 582 1HD LYS 70 1HD LYS 70 2.478 24.526 1.981 583 2HD LYS 70 2HD LYS 70 1.139 23.931 2.962 584 1HE LYS 70 1HE LYS 70 2.862 24.054 4.552 585 2HE LYS 70 2HE LYS 70 3.019 22.372 4.009 586 1HZ LYS 70 1HZ LYS 70 4.799 22.862 2.678 587 2HZ LYS 70 2HZ LYS 70 5.071 23.967 3.938 588 3HZ LYS 70 3HZ LYS 70 4.364 24.489 2.485 589 H THR 71 H THR 71 -1.404 19.278 1.198 590 HA THR 71 HA THR 71 -1.333 17.601 3.617 591 HB THR 71 HB THR 71 -3.451 17.798 1.458 592 HG1 THR 71 HG1 THR 71 -4.209 19.402 3.200 593 1HG2 THR 71 1HG2 THR 71 -4.286 17.651 4.245 594 2HG2 THR 71 2HG2 THR 71 -3.276 16.278 3.789 595 3HG2 THR 71 3HG2 THR 71 -4.749 16.630 2.884 596 H ILE 72 H ILE 72 -0.943 17.229 0.171 597 HA ILE 72 HA ILE 72 -1.196 14.272 0.312 598 HB ILE 72 HB ILE 72 -0.772 16.310 -1.890 599 1HG1 ILE 72 1HG1 ILE 72 -3.056 14.498 -1.057 600 2HG1 ILE 72 2HG1 ILE 72 -3.039 16.262 -1.070 601 1HG2 ILE 72 1HG2 ILE 72 -1.077 13.304 -2.162 602 2HG2 ILE 72 2HG2 ILE 72 0.437 14.180 -2.383 603 3HG2 ILE 72 3HG2 ILE 72 -0.914 14.463 -3.481 604 1HD1 ILE 72 1HD1 ILE 72 -2.968 14.407 -3.462 605 2HD1 ILE 72 2HD1 ILE 72 -2.652 16.138 -3.572 606 3HD1 ILE 72 3HD1 ILE 72 -4.232 15.562 -3.038 607 H THR 73 H THR 73 0.607 13.059 0.721 608 HA THR 73 HA THR 73 3.290 14.312 0.508 609 HB THR 73 HB THR 73 2.289 11.676 1.633 610 HG1 THR 73 HG1 THR 73 1.879 12.821 3.325 611 1HG2 THR 73 1HG2 THR 73 4.546 11.699 2.781 612 2HG2 THR 73 2HG2 THR 73 5.005 13.008 1.692 613 3HG2 THR 73 3HG2 THR 73 4.604 11.419 1.042 614 H VAL 74 H VAL 74 4.791 13.667 -1.028 615 HA VAL 74 HA VAL 74 3.833 11.888 -3.186 616 HB VAL 74 HB VAL 74 6.511 13.262 -3.061 617 1HG1 VAL 74 1HG1 VAL 74 6.067 11.943 -5.035 618 2HG1 VAL 74 2HG1 VAL 74 5.918 13.641 -5.487 619 3HG1 VAL 74 3HG1 VAL 74 4.471 12.668 -5.222 620 1HG2 VAL 74 1HG2 VAL 74 3.787 14.531 -3.239 621 2HG2 VAL 74 2HG2 VAL 74 5.144 15.243 -4.112 622 3HG2 VAL 74 3HG2 VAL 74 5.211 15.083 -2.357 623 H SER 75 H SER 75 5.598 10.392 -4.123 624 HA SER 75 HA SER 75 7.312 9.162 -2.013 625 1HB SER 75 1HB SER 75 4.796 8.174 -2.972 626 2HB SER 75 2HB SER 75 6.069 7.078 -3.507 627 HG SER 75 HG SER 75 5.789 8.051 -0.855 628 H THR 76 H THR 76 9.029 7.835 -2.920 629 HA THR 76 HA THR 76 9.379 8.084 -5.887 630 HB THR 76 HB THR 76 11.910 8.319 -4.974 631 HG1 THR 76 HG1 THR 76 10.443 9.822 -3.104 632 1HG2 THR 76 1HG2 THR 76 9.765 10.349 -5.503 633 2HG2 THR 76 2HG2 THR 76 11.183 9.945 -6.472 634 3HG2 THR 76 3HG2 THR 76 11.364 10.890 -4.994 635 H GLY 77 H GLY 77 10.101 6.187 -6.835 636 1HA GLY 77 1HA GLY 77 11.760 4.244 -5.547 637 2HA GLY 77 2HA GLY 77 10.076 3.721 -5.459 638 H PHE 78 H PHE 78 11.190 1.957 -6.901 639 HA PHE 78 HA PHE 78 10.588 2.678 -9.723 640 1HB PHE 78 1HB PHE 78 13.208 1.563 -8.678 641 2HB PHE 78 2HB PHE 78 12.787 1.655 -10.389 642 HD1 PHE 78 HD1 PHE 78 13.788 3.545 -7.416 643 HD2 PHE 78 HD2 PHE 78 12.479 3.847 -11.497 644 HE1 PHE 78 HE1 PHE 78 14.525 5.913 -7.477 645 HE2 PHE 78 HE2 PHE 78 13.216 6.215 -11.559 646 HZ PHE 78 HZ PHE 78 14.239 7.248 -9.549 647 H MET 79 H MET 79 10.169 0.793 -11.046 648 HA MET 79 HA MET 79 9.754 -1.737 -9.482 649 1HB MET 79 1HB MET 79 8.041 -0.117 -11.320 650 2HB MET 79 2HB MET 79 7.861 -1.871 -11.384 651 1HG MET 79 1HG MET 79 7.377 -1.973 -9.013 652 2HG MET 79 2HG MET 79 7.748 -0.259 -8.820 653 1HE MET 79 1HE MET 79 5.586 0.800 -7.938 654 2HE MET 79 2HE MET 79 4.040 -0.005 -8.196 655 3HE MET 79 3HE MET 79 5.409 -0.904 -7.528 656 H SER 80 H SER 80 9.480 -3.646 -11.143 657 HA SER 80 HA SER 80 11.288 -3.287 -13.495 658 1HB SER 80 1HB SER 80 12.889 -4.471 -12.428 659 2HB SER 80 2HB SER 80 11.863 -4.568 -11.001 660 HG SER 80 HG SER 80 12.566 -6.521 -12.596 661 H ILE 81 H ILE 81 9.875 -3.796 -15.141 662 HA ILE 81 HA ILE 81 8.611 -6.483 -15.107 663 HB ILE 81 HB ILE 81 7.018 -3.976 -15.692 664 1HG1 ILE 81 1HG1 ILE 81 7.282 -5.503 -13.081 665 2HG1 ILE 81 2HG1 ILE 81 7.775 -3.834 -13.369 666 1HG2 ILE 81 1HG2 ILE 81 5.283 -5.396 -16.034 667 2HG2 ILE 81 2HG2 ILE 81 5.711 -6.389 -14.642 668 3HG2 ILE 81 3HG2 ILE 81 6.518 -6.644 -16.189 669 1HD1 ILE 81 1HD1 ILE 81 5.028 -4.195 -14.178 670 2HD1 ILE 81 2HD1 ILE 81 5.688 -3.096 -12.967 671 3HD1 ILE 81 3HD1 ILE 81 5.240 -4.740 -12.515 672 1H MET 1 1H MET 1 15.126 -1.165 2.029 673 2H MET 1 2H MET 1 15.819 -0.658 0.563 674 3H MET 1 3H MET 1 15.161 -2.219 0.700 675 HA MET 1 HA MET 1 13.529 0.246 1.010 676 1HB MET 1 1HB MET 1 14.218 -1.456 -1.406 677 2HB MET 1 2HB MET 1 12.910 -0.272 -1.385 678 1HG MET 1 1HG MET 1 14.923 1.258 -0.424 679 2HG MET 1 2HG MET 1 15.848 0.155 -1.443 680 1HE MET 1 1HE MET 1 15.602 -0.402 -3.478 681 2HE MET 1 2HE MET 1 14.424 0.106 -4.687 682 3HE MET 1 3HE MET 1 15.924 1.019 -4.470 683 H THR 2 H THR 2 11.216 -0.489 0.215 684 HA THR 2 HA THR 2 10.539 -2.953 1.725 685 HB THR 2 HB THR 2 8.243 -1.670 0.686 686 HG1 THR 2 HG1 THR 2 8.627 0.444 0.955 687 1HG2 THR 2 1HG2 THR 2 8.507 -2.664 2.929 688 2HG2 THR 2 2HG2 THR 2 7.915 -1.006 3.031 689 3HG2 THR 2 3HG2 THR 2 9.609 -1.359 3.374 690 HA PRO 3 HA PRO 3 10.533 -5.158 -2.167 691 1HB PRO 3 1HB PRO 3 9.186 -7.359 -1.267 692 2HB PRO 3 2HB PRO 3 10.917 -7.102 -0.965 693 1HG PRO 3 1HG PRO 3 8.592 -6.622 0.833 694 2HG PRO 3 2HG PRO 3 10.182 -7.308 1.206 695 1HD PRO 3 1HD PRO 3 9.513 -4.747 1.779 696 2HD PRO 3 2HD PRO 3 11.171 -5.250 1.393 697 H ILE 4 H ILE 4 8.920 -5.451 -3.766 698 HA ILE 4 HA ILE 4 6.073 -5.041 -2.969 699 HB ILE 4 HB ILE 4 5.964 -3.365 -4.890 700 1HG1 ILE 4 1HG1 ILE 4 8.809 -2.733 -4.666 701 2HG1 ILE 4 2HG1 ILE 4 8.535 -4.326 -5.372 702 1HG2 ILE 4 1HG2 ILE 4 7.772 -1.909 -3.245 703 2HG2 ILE 4 2HG2 ILE 4 6.937 -3.062 -2.207 704 3HG2 ILE 4 3HG2 ILE 4 6.011 -1.914 -3.172 705 1HD1 ILE 4 1HD1 ILE 4 7.468 -3.477 -7.227 706 2HD1 ILE 4 2HD1 ILE 4 8.506 -2.098 -6.862 707 3HD1 ILE 4 3HD1 ILE 4 6.818 -2.093 -6.349 708 H VAL 5 H VAL 5 5.211 -6.945 -3.762 709 HA VAL 5 HA VAL 5 6.211 -8.061 -6.323 710 HB VAL 5 HB VAL 5 4.161 -9.049 -4.312 711 1HG1 VAL 5 1HG1 VAL 5 3.823 -10.157 -6.415 712 2HG1 VAL 5 2HG1 VAL 5 4.747 -11.271 -5.407 713 3HG1 VAL 5 3HG1 VAL 5 5.559 -10.342 -6.666 714 1HG2 VAL 5 1HG2 VAL 5 6.244 -8.938 -3.168 715 2HG2 VAL 5 2HG2 VAL 5 7.145 -9.449 -4.595 716 3HG2 VAL 5 3HG2 VAL 5 6.134 -10.606 -3.730 717 H HIS 6 H HIS 6 4.758 -8.479 -8.095 718 HA HIS 6 HA HIS 6 2.136 -7.034 -7.990 719 1HB HIS 6 1HB HIS 6 4.543 -6.412 -9.444 720 2HB HIS 6 2HB HIS 6 3.264 -6.814 -10.589 721 HD1 HIS 6 HD1 HIS 6 2.573 -4.501 -11.351 722 HD2 HIS 6 HD2 HIS 6 2.682 -4.835 -7.196 723 HE1 HIS 6 HE1 HIS 6 1.569 -2.365 -10.433 724 H LEU 7 H LEU 7 0.596 -8.572 -8.407 725 HA LEU 7 HA LEU 7 1.297 -10.809 -10.275 726 1HB LEU 7 1HB LEU 7 -0.586 -10.533 -7.920 727 2HB LEU 7 2HB LEU 7 -0.637 -11.917 -9.013 728 HG LEU 7 HG LEU 7 2.089 -11.505 -8.317 729 1HD1 LEU 7 1HD1 LEU 7 2.172 -11.109 -6.078 730 2HD1 LEU 7 2HD1 LEU 7 0.723 -12.063 -5.762 731 3HD1 LEU 7 3HD1 LEU 7 0.578 -10.395 -6.316 732 1HD2 LEU 7 1HD2 LEU 7 1.985 -13.765 -7.927 733 2HD2 LEU 7 2HD2 LEU 7 0.426 -13.598 -8.735 734 3HD2 LEU 7 3HD2 LEU 7 0.506 -13.636 -6.974 735 H LYS 8 H LYS 8 -0.147 -11.273 -11.973 736 HA LYS 8 HA LYS 8 -2.588 -9.581 -12.239 737 1HB LYS 8 1HB LYS 8 -0.588 -8.487 -13.299 738 2HB LYS 8 2HB LYS 8 -0.440 -9.892 -14.357 739 1HG LYS 8 1HG LYS 8 -2.581 -9.470 -15.359 740 2HG LYS 8 2HG LYS 8 -2.970 -8.243 -14.152 741 1HD LYS 8 1HD LYS 8 -1.243 -6.773 -14.991 742 2HD LYS 8 2HD LYS 8 -0.640 -8.027 -16.076 743 1HE LYS 8 1HE LYS 8 -3.487 -7.584 -16.494 744 2HE LYS 8 2HE LYS 8 -2.557 -6.088 -16.720 745 1HZ LYS 8 1HZ LYS 8 -1.432 -6.940 -18.452 746 2HZ LYS 8 2HZ LYS 8 -2.733 -8.026 -18.566 747 3HZ LYS 8 3HZ LYS 8 -1.308 -8.483 -17.762 748 H GLY 9 H GLY 9 -3.906 -10.378 -14.182 749 1HA GLY 9 1HA GLY 9 -3.736 -12.564 -15.731 750 2HA GLY 9 2HA GLY 9 -3.913 -13.337 -14.156 751 H ASP 10 H ASP 10 -5.977 -14.206 -14.944 752 HA ASP 10 HA ASP 10 -8.162 -12.561 -15.810 753 1HB ASP 10 1HB ASP 10 -7.872 -15.283 -14.524 754 2HB ASP 10 2HB ASP 10 -9.452 -14.642 -14.973 755 H ALA 11 H ALA 11 -9.282 -11.087 -14.599 756 HA ALA 11 HA ALA 11 -8.869 -10.439 -11.913 757 1HB ALA 11 1HB ALA 11 -10.095 -9.066 -13.525 758 2HB ALA 11 2HB ALA 11 -11.383 -10.268 -13.605 759 3HB ALA 11 3HB ALA 11 -11.116 -9.359 -12.118 760 H ASN 12 H ASN 12 -11.287 -12.715 -13.240 761 HA ASN 12 HA ASN 12 -12.603 -13.352 -10.798 762 1HB ASN 12 1HB ASN 12 -12.070 -14.849 -13.375 763 2HB ASN 12 2HB ASN 12 -13.116 -15.493 -12.109 764 1HD2 ASN 12 1HD2 ASN 12 -14.072 -14.747 -14.754 765 2HD2 ASN 12 2HD2 ASN 12 -15.150 -13.452 -14.559 766 H THR 13 H THR 13 -9.857 -14.996 -12.410 767 HA THR 13 HA THR 13 -9.455 -17.053 -10.499 768 HB THR 13 HB THR 13 -7.663 -15.532 -12.400 769 HG1 THR 13 HG1 THR 13 -7.774 -17.827 -13.258 770 1HG2 THR 13 1HG2 THR 13 -6.030 -17.415 -12.035 771 2HG2 THR 13 2HG2 THR 13 -6.987 -17.895 -10.633 772 3HG2 THR 13 3HG2 THR 13 -6.191 -16.322 -10.660 773 H LEU 14 H LEU 14 -8.540 -13.651 -10.422 774 HA LEU 14 HA LEU 14 -6.566 -13.795 -8.343 775 1HB LEU 14 1HB LEU 14 -8.509 -11.612 -9.173 776 2HB LEU 14 2HB LEU 14 -7.078 -11.361 -8.173 777 HG LEU 14 HG LEU 14 -7.037 -12.495 -10.985 778 1HD1 LEU 14 1HD1 LEU 14 -5.907 -9.827 -10.219 779 2HD1 LEU 14 2HD1 LEU 14 -7.641 -9.962 -10.515 780 3HD1 LEU 14 3HD1 LEU 14 -6.494 -10.383 -11.787 781 1HD2 LEU 14 1HD2 LEU 14 -4.560 -11.382 -10.024 782 2HD2 LEU 14 2HD2 LEU 14 -4.893 -13.032 -10.551 783 3HD2 LEU 14 3HD2 LEU 14 -5.152 -12.576 -8.867 784 H LYS 15 H LYS 15 -10.090 -13.706 -8.313 785 HA LYS 15 HA LYS 15 -10.539 -12.973 -5.600 786 1HB LYS 15 1HB LYS 15 -12.046 -13.513 -7.766 787 2HB LYS 15 2HB LYS 15 -12.236 -15.044 -6.913 788 1HG LYS 15 1HG LYS 15 -12.808 -13.658 -4.842 789 2HG LYS 15 2HG LYS 15 -12.934 -12.274 -5.927 790 1HD LYS 15 1HD LYS 15 -14.372 -14.472 -7.078 791 2HD LYS 15 2HD LYS 15 -14.902 -14.262 -5.409 792 1HE LYS 15 1HE LYS 15 -15.543 -11.994 -5.786 793 2HE LYS 15 2HE LYS 15 -14.671 -11.928 -7.330 794 1HZ LYS 15 1HZ LYS 15 -16.825 -13.893 -6.816 795 2HZ LYS 15 2HZ LYS 15 -16.149 -13.445 -8.308 796 3HZ LYS 15 3HZ LYS 15 -17.150 -12.361 -7.465 797 H CYS 16 H CYS 16 -9.790 -16.112 -7.087 798 HA CYS 16 HA CYS 16 -10.215 -17.697 -4.712 799 1HB CYS 16 1HB CYS 16 -10.031 -18.289 -7.253 800 2HB CYS 16 2HB CYS 16 -8.298 -18.366 -6.934 801 HG CYS 16 HG CYS 16 -8.808 -20.221 -5.113 802 H LEU 17 H LEU 17 -7.313 -16.173 -6.137 803 HA LEU 17 HA LEU 17 -5.366 -17.277 -4.388 804 1HB LEU 17 1HB LEU 17 -5.683 -14.749 -5.988 805 2HB LEU 17 2HB LEU 17 -4.266 -14.953 -4.957 806 HG LEU 17 HG LEU 17 -4.870 -17.328 -6.572 807 1HD1 LEU 17 1HD1 LEU 17 -5.170 -16.335 -8.570 808 2HD1 LEU 17 2HD1 LEU 17 -3.578 -15.595 -8.404 809 3HD1 LEU 17 3HD1 LEU 17 -5.011 -14.740 -7.833 810 1HD2 LEU 17 1HD2 LEU 17 -2.374 -16.813 -7.158 811 2HD2 LEU 17 2HD2 LEU 17 -2.773 -17.292 -5.508 812 3HD2 LEU 17 3HD2 LEU 17 -2.502 -15.592 -5.892 813 H ARG 18 H ARG 18 -7.127 -14.172 -4.095 814 HA ARG 18 HA ARG 18 -6.109 -13.239 -1.665 815 1HB ARG 18 1HB ARG 18 -7.829 -12.225 -3.267 816 2HB ARG 18 2HB ARG 18 -9.040 -13.193 -2.421 817 1HG ARG 18 1HG ARG 18 -7.705 -12.061 -0.320 818 2HG ARG 18 2HG ARG 18 -7.602 -10.775 -1.524 819 1HD ARG 18 1HD ARG 18 -10.158 -11.231 -1.875 820 2HD ARG 18 2HD ARG 18 -10.056 -11.996 -0.277 821 HE ARG 18 HE ARG 18 -9.332 -9.149 -0.835 822 1HH1 ARG 18 1HH1 ARG 18 -11.257 -11.161 0.997 823 2HH1 ARG 18 2HH1 ARG 18 -10.877 -10.443 2.526 824 1HH2 ARG 18 1HH2 ARG 18 -8.322 -8.466 1.262 825 2HH2 ARG 18 2HH2 ARG 18 -9.215 -8.916 2.677 826 H TYR 19 H TYR 19 -8.292 -15.932 -2.218 827 HA TYR 19 HA TYR 19 -9.335 -16.216 0.436 828 1HB TYR 19 1HB TYR 19 -10.228 -17.301 -1.592 829 2HB TYR 19 2HB TYR 19 -8.748 -18.245 -1.745 830 HD1 TYR 19 HD1 TYR 19 -11.857 -17.785 0.171 831 HD2 TYR 19 HD2 TYR 19 -8.244 -20.078 -0.215 832 HE1 TYR 19 HE1 TYR 19 -12.793 -19.515 1.685 833 HE2 TYR 19 HE2 TYR 19 -9.177 -21.806 1.300 834 HH TYR 19 HH TYR 19 -12.025 -21.290 3.144 835 H ARG 20 H ARG 20 -6.257 -17.083 -1.007 836 HA ARG 20 HA ARG 20 -5.478 -18.883 1.181 837 1HB ARG 20 1HB ARG 20 -4.060 -17.627 -1.189 838 2HB ARG 20 2HB ARG 20 -3.287 -18.773 -0.092 839 1HG ARG 20 1HG ARG 20 -4.656 -20.547 -0.768 840 2HG ARG 20 2HG ARG 20 -5.913 -19.472 -1.380 841 1HD ARG 20 1HD ARG 20 -4.523 -18.830 -3.275 842 2HD ARG 20 2HD ARG 20 -3.156 -19.758 -2.627 843 HE ARG 20 HE ARG 20 -5.305 -21.558 -2.744 844 1HH1 ARG 20 1HH1 ARG 20 -2.576 -21.323 -4.346 845 2HH1 ARG 20 2HH1 ARG 20 -3.180 -21.596 -5.946 846 1HH2 ARG 20 1HH2 ARG 20 -6.503 -21.158 -5.053 847 2HH2 ARG 20 2HH2 ARG 20 -5.403 -21.502 -6.346 848 H PHE 21 H PHE 21 -5.199 -15.484 0.389 849 HA PHE 21 HA PHE 21 -2.979 -14.812 2.087 850 1HB PHE 21 1HB PHE 21 -5.393 -13.203 1.189 851 2HB PHE 21 2HB PHE 21 -3.886 -12.527 1.807 852 HD1 PHE 21 HD1 PHE 21 -2.763 -15.312 0.171 853 HD2 PHE 21 HD2 PHE 21 -4.565 -11.514 -0.726 854 HE1 PHE 21 HE1 PHE 21 -1.794 -15.391 -2.111 855 HE2 PHE 21 HE2 PHE 21 -3.594 -11.595 -3.007 856 HZ PHE 21 HZ PHE 21 -2.209 -13.531 -3.699 857 H LYS 22 H LYS 22 -6.345 -15.491 2.747 858 HA LYS 22 HA LYS 22 -6.652 -14.088 5.219 859 1HB LYS 22 1HB LYS 22 -7.873 -16.482 3.871 860 2HB LYS 22 2HB LYS 22 -8.344 -16.088 5.525 861 1HG LYS 22 1HG LYS 22 -8.543 -14.272 3.106 862 2HG LYS 22 2HG LYS 22 -9.885 -14.987 4.001 863 1HD LYS 22 1HD LYS 22 -8.736 -13.769 6.055 864 2HD LYS 22 2HD LYS 22 -8.065 -12.743 4.787 865 1HE LYS 22 1HE LYS 22 -10.535 -12.620 3.916 866 2HE LYS 22 2HE LYS 22 -10.950 -13.129 5.565 867 1HZ LYS 22 1HZ LYS 22 -9.854 -11.308 6.489 868 2HZ LYS 22 2HZ LYS 22 -10.663 -10.640 5.154 869 3HZ LYS 22 3HZ LYS 22 -8.998 -10.966 5.066 870 H LYS 23 H LYS 23 -5.616 -17.457 4.565 871 HA LYS 23 HA LYS 23 -5.100 -18.041 7.371 872 1HB LYS 23 1HB LYS 23 -4.207 -19.377 4.793 873 2HB LYS 23 2HB LYS 23 -4.152 -20.110 6.397 874 1HG LYS 23 1HG LYS 23 -6.697 -19.082 5.116 875 2HG LYS 23 2HG LYS 23 -6.173 -20.764 5.032 876 1HD LYS 23 1HD LYS 23 -5.950 -20.442 7.672 877 2HD LYS 23 2HD LYS 23 -7.172 -19.204 7.376 878 1HE LYS 23 1HE LYS 23 -7.901 -21.535 5.875 879 2HE LYS 23 2HE LYS 23 -7.572 -22.023 7.549 880 1HZ LYS 23 1HZ LYS 23 -9.516 -20.064 6.537 881 2HZ LYS 23 2HZ LYS 23 -8.833 -19.820 8.074 882 3HZ LYS 23 3HZ LYS 23 -9.708 -21.240 7.745 883 H HIS 24 H HIS 24 -3.330 -16.540 4.789 884 HA HIS 24 HA HIS 24 -0.710 -16.912 6.139 885 1HB HIS 24 1HB HIS 24 -1.460 -15.442 3.592 886 2HB HIS 24 2HB HIS 24 0.151 -15.986 4.063 887 HD1 HIS 24 HD1 HIS 24 -1.055 -17.018 1.430 888 HD2 HIS 24 HD2 HIS 24 -1.469 -19.002 5.073 889 HE1 HIS 24 HE1 HIS 24 -1.542 -19.442 0.876 890 H CYS 25 H CYS 25 -2.679 -15.335 7.549 891 HA CYS 25 HA CYS 25 -2.528 -12.539 7.145 892 1HB CYS 25 1HB CYS 25 -3.314 -12.439 9.427 893 2HB CYS 25 2HB CYS 25 -3.995 -13.898 8.708 894 HG CYS 25 HG CYS 25 -1.884 -15.177 9.886 895 H THR 26 H THR 26 -0.294 -14.730 8.835 896 HA THR 26 HA THR 26 1.462 -12.439 9.551 897 HB THR 26 HB THR 26 0.907 -14.135 11.238 898 HG1 THR 26 HG1 THR 26 3.531 -14.021 10.238 899 1HG2 THR 26 1HG2 THR 26 2.173 -16.444 10.628 900 2HG2 THR 26 2HG2 THR 26 1.677 -15.942 9.012 901 3HG2 THR 26 3HG2 THR 26 0.467 -16.163 10.276 902 H LEU 27 H LEU 27 1.740 -12.339 6.994 903 HA LEU 27 HA LEU 27 4.292 -13.738 6.393 904 1HB LEU 27 1HB LEU 27 1.631 -14.159 5.131 905 2HB LEU 27 2HB LEU 27 3.011 -14.075 4.034 906 HG LEU 27 HG LEU 27 2.769 -15.910 6.439 907 1HD1 LEU 27 1HD1 LEU 27 3.114 -17.478 4.221 908 2HD1 LEU 27 2HD1 LEU 27 2.131 -16.169 3.567 909 3HD1 LEU 27 3HD1 LEU 27 1.547 -17.111 4.939 910 1HD2 LEU 27 1HD2 LEU 27 4.978 -15.314 4.476 911 2HD2 LEU 27 2HD2 LEU 27 4.862 -16.904 5.229 912 3HD2 LEU 27 3HD2 LEU 27 5.071 -15.467 6.230 913 H TYR 28 H TYR 28 1.809 -11.449 5.214 914 HA TYR 28 HA TYR 28 3.986 -9.885 3.884 915 1HB TYR 28 1HB TYR 28 2.031 -8.855 2.675 916 2HB TYR 28 2HB TYR 28 2.162 -10.599 2.441 917 HD1 TYR 28 HD1 TYR 28 0.519 -12.120 3.338 918 HD2 TYR 28 HD2 TYR 28 0.327 -7.918 4.217 919 HE1 TYR 28 HE1 TYR 28 -1.772 -12.414 4.244 920 HE2 TYR 28 HE2 TYR 28 -1.962 -8.213 5.125 921 HH TYR 28 HH TYR 28 -3.779 -9.686 5.084 922 H THR 29 H THR 29 3.566 -7.404 4.011 923 HA THR 29 HA THR 29 2.992 -6.735 6.858 924 HB THR 29 HB THR 29 4.048 -4.630 5.131 925 HG1 THR 29 HG1 THR 29 6.006 -5.723 4.712 926 1HG2 THR 29 1HG2 THR 29 4.365 -4.425 7.464 927 2HG2 THR 29 2HG2 THR 29 5.948 -4.907 6.855 928 3HG2 THR 29 3HG2 THR 29 4.899 -6.099 7.623 929 H ALA 30 H ALA 30 1.973 -5.909 3.553 930 HA ALA 30 HA ALA 30 -0.529 -4.776 4.617 931 1HB ALA 30 1HB ALA 30 -0.124 -2.540 3.841 932 2HB ALA 30 2HB ALA 30 1.308 -3.010 4.757 933 3HB ALA 30 3HB ALA 30 1.341 -3.035 2.993 934 H VAL 31 H VAL 31 -2.004 -5.687 3.239 935 HA VAL 31 HA VAL 31 -1.250 -6.297 0.439 936 HB VAL 31 HB VAL 31 -2.503 -7.826 2.068 937 1HG1 VAL 31 1HG1 VAL 31 -4.761 -5.918 1.379 938 2HG1 VAL 31 2HG1 VAL 31 -4.007 -6.073 2.967 939 3HG1 VAL 31 3HG1 VAL 31 -4.920 -7.421 2.288 940 1HG2 VAL 31 1HG2 VAL 31 -2.467 -7.928 -0.525 941 2HG2 VAL 31 2HG2 VAL 31 -4.097 -7.266 -0.434 942 3HG2 VAL 31 3HG2 VAL 31 -3.736 -8.821 0.312 943 H SER 32 H SER 32 -1.847 -4.978 -1.252 944 HA SER 32 HA SER 32 -3.376 -2.524 -0.703 945 1HB SER 32 1HB SER 32 -2.774 -2.100 -3.107 946 2HB SER 32 2HB SER 32 -1.380 -2.486 -2.101 947 HG SER 32 HG SER 32 -2.733 -4.603 -3.305 948 H SER 33 H SER 33 -5.405 -2.012 -1.694 949 HA SER 33 HA SER 33 -7.293 -4.131 -1.995 950 1HB SER 33 1HB SER 33 -7.620 -1.644 -1.470 951 2HB SER 33 2HB SER 33 -7.460 -1.359 -3.200 952 HG SER 33 HG SER 33 -9.632 -1.968 -1.970 953 H THR 34 H THR 34 -8.479 -4.681 -4.017 954 HA THR 34 HA THR 34 -6.717 -5.413 -6.178 955 HB THR 34 HB THR 34 -9.711 -5.209 -6.404 956 HG1 THR 34 HG1 THR 34 -9.851 -7.062 -5.102 957 1HG2 THR 34 1HG2 THR 34 -9.505 -7.035 -7.798 958 2HG2 THR 34 2HG2 THR 34 -8.092 -7.659 -6.949 959 3HG2 THR 34 3HG2 THR 34 -7.926 -6.296 -8.057 960 H TRP 35 H TRP 35 -6.094 -4.167 -7.909 961 HA TRP 35 HA TRP 35 -7.887 -1.990 -8.860 962 1HB TRP 35 1HB TRP 35 -6.120 -0.352 -8.660 963 2HB TRP 35 2HB TRP 35 -6.255 -1.165 -7.101 964 HD1 TRP 35 HD1 TRP 35 -4.408 -3.082 -6.564 965 HE1 TRP 35 HE1 TRP 35 -1.962 -3.298 -7.349 966 HE3 TRP 35 HE3 TRP 35 -4.474 0.112 -10.552 967 HZ2 TRP 35 HZ2 TRP 35 -0.259 -2.256 -9.396 968 HZ3 TRP 35 HZ3 TRP 35 -2.427 0.482 -11.900 969 HH2 TRP 35 HH2 TRP 35 -0.321 -0.698 -11.327 970 H HIS 36 H HIS 36 -6.598 -0.948 -10.902 971 HA HIS 36 HA HIS 36 -4.934 -2.881 -12.360 972 1HB HIS 36 1HB HIS 36 -6.975 -3.984 -12.748 973 2HB HIS 36 2HB HIS 36 -7.880 -2.475 -12.837 974 HD1 HIS 36 HD1 HIS 36 -8.254 -1.518 -15.126 975 HD2 HIS 36 HD2 HIS 36 -5.226 -4.383 -15.116 976 HE1 HIS 36 HE1 HIS 36 -7.603 -1.878 -17.545 977 H TRP 37 H TRP 37 -4.523 -2.018 -14.652 978 HA TRP 37 HA TRP 37 -3.999 0.855 -14.524 979 1HB TRP 37 1HB TRP 37 -3.559 -1.388 -16.497 980 2HB TRP 37 2HB TRP 37 -3.160 0.277 -16.910 981 HD1 TRP 37 HD1 TRP 37 -1.607 -2.672 -15.517 982 HE1 TRP 37 HE1 TRP 37 0.496 -2.088 -14.145 983 HE3 TRP 37 HE3 TRP 37 -2.280 2.362 -14.971 984 HZ2 TRP 37 HZ2 TRP 37 1.732 0.212 -12.974 985 HZ3 TRP 37 HZ3 TRP 37 -0.625 3.724 -13.726 986 HH2 TRP 37 HH2 TRP 37 1.376 2.655 -12.726 987 H THR 38 H THR 38 -5.747 2.205 -14.855 988 HA THR 38 HA THR 38 -8.034 1.458 -16.495 989 HB THR 38 HB THR 38 -8.089 2.917 -14.475 990 HG1 THR 38 HG1 THR 38 -9.797 3.586 -15.463 991 1HG2 THR 38 1HG2 THR 38 -6.314 4.586 -16.228 992 2HG2 THR 38 2HG2 THR 38 -6.144 4.201 -14.515 993 3HG2 THR 38 3HG2 THR 38 -7.355 5.373 -15.039 994 H GLY 39 H GLY 39 -8.447 4.007 -17.784 995 1HA GLY 39 1HA GLY 39 -6.734 5.259 -19.382 996 2HA GLY 39 2HA GLY 39 -6.617 3.646 -20.091 997 H HIS 40 H HIS 40 -7.753 6.224 -21.185 998 HA HIS 40 HA HIS 40 -10.536 6.318 -21.336 999 1HB HIS 40 1HB HIS 40 -8.669 7.727 -22.449 1000 2HB HIS 40 2HB HIS 40 -8.736 6.543 -23.754 1001 HD1 HIS 40 HD1 HIS 40 -10.338 9.586 -22.579 1002 HD2 HIS 40 HD2 HIS 40 -11.520 6.296 -24.850 1003 HE1 HIS 40 HE1 HIS 40 -12.452 10.274 -23.790 1004 H ASN 41 H ASN 41 -8.341 3.997 -22.848 1005 HA ASN 41 HA ASN 41 -10.702 2.601 -24.062 1006 1HB ASN 41 1HB ASN 41 -7.871 3.109 -24.826 1007 2HB ASN 41 2HB ASN 41 -8.524 1.532 -25.268 1008 1HD2 ASN 41 1HD2 ASN 41 -9.898 4.880 -25.224 1009 2HD2 ASN 41 2HD2 ASN 41 -10.493 4.806 -26.812 1010 H VAL 42 H VAL 42 -11.129 0.520 -23.353 1011 HA VAL 42 HA VAL 42 -9.145 -0.717 -21.472 1012 HB VAL 42 HB VAL 42 -11.851 -1.733 -21.233 1013 1HG1 VAL 42 1HG1 VAL 42 -10.770 -1.992 -19.258 1014 2HG1 VAL 42 2HG1 VAL 42 -11.268 -0.331 -18.939 1015 3HG1 VAL 42 3HG1 VAL 42 -9.661 -0.661 -19.588 1016 1HG2 VAL 42 1HG2 VAL 42 -12.671 0.376 -22.048 1017 2HG2 VAL 42 2HG2 VAL 42 -11.477 1.273 -21.110 1018 3HG2 VAL 42 3HG2 VAL 42 -12.796 0.438 -20.290 1019 H LYS 43 H LYS 43 -10.140 -3.265 -21.332 1020 HA LYS 43 HA LYS 43 -10.508 -4.272 -24.104 1021 1HB LYS 43 1HB LYS 43 -8.047 -3.958 -23.549 1022 2HB LYS 43 2HB LYS 43 -8.248 -5.192 -22.307 1023 1HG LYS 43 1HG LYS 43 -9.108 -6.748 -24.082 1024 2HG LYS 43 2HG LYS 43 -8.697 -5.525 -25.285 1025 1HD LYS 43 1HD LYS 43 -6.335 -5.562 -24.270 1026 2HD LYS 43 2HD LYS 43 -6.833 -7.051 -23.467 1027 1HE LYS 43 1HE LYS 43 -7.539 -7.893 -25.794 1028 2HE LYS 43 2HE LYS 43 -6.610 -6.526 -26.438 1029 1HZ LYS 43 1HZ LYS 43 -5.541 -8.903 -25.713 1030 2HZ LYS 43 2HZ LYS 43 -5.273 -7.960 -24.326 1031 3HZ LYS 43 3HZ LYS 43 -4.678 -7.448 -25.833 1032 H HIS 44 H HIS 44 -9.472 -5.765 -21.016 1033 HA HIS 44 HA HIS 44 -12.105 -7.139 -20.806 1034 1HB HIS 44 1HB HIS 44 -9.590 -8.250 -21.775 1035 2HB HIS 44 2HB HIS 44 -10.188 -9.135 -20.372 1036 HD1 HIS 44 HD1 HIS 44 -12.768 -9.962 -20.559 1037 HD2 HIS 44 HD2 HIS 44 -10.946 -8.828 -24.133 1038 HE1 HIS 44 HE1 HIS 44 -14.190 -10.920 -22.423 1039 H LYS 45 H LYS 45 -11.662 -8.823 -18.761 1040 HA LYS 45 HA LYS 45 -11.235 -7.083 -16.475 1041 1HB LYS 45 1HB LYS 45 -12.264 -9.715 -17.132 1042 2HB LYS 45 2HB LYS 45 -11.250 -9.795 -15.692 1043 1HG LYS 45 1HG LYS 45 -12.560 -8.155 -14.556 1044 2HG LYS 45 2HG LYS 45 -13.405 -7.703 -16.038 1045 1HD LYS 45 1HD LYS 45 -14.183 -10.184 -16.087 1046 2HD LYS 45 2HD LYS 45 -13.713 -10.205 -14.387 1047 1HE LYS 45 1HE LYS 45 -15.348 -8.629 -13.781 1048 2HE LYS 45 2HE LYS 45 -15.502 -8.012 -15.439 1049 1HZ LYS 45 1HZ LYS 45 -17.255 -9.420 -15.472 1050 2HZ LYS 45 2HZ LYS 45 -16.634 -10.418 -14.245 1051 3HZ LYS 45 3HZ LYS 45 -16.060 -10.567 -15.838 1052 H SER 46 H SER 46 -9.113 -6.439 -16.110 1053 HA SER 46 HA SER 46 -7.034 -8.603 -16.021 1054 1HB SER 46 1HB SER 46 -6.314 -5.754 -16.539 1055 2HB SER 46 2HB SER 46 -5.607 -7.224 -17.201 1056 HG SER 46 HG SER 46 -6.782 -6.695 -18.874 1057 H ALA 47 H ALA 47 -8.801 -7.401 -13.860 1058 HA ALA 47 HA ALA 47 -7.767 -5.570 -12.130 1059 1HB ALA 47 1HB ALA 47 -8.633 -7.012 -10.331 1060 2HB ALA 47 2HB ALA 47 -9.699 -7.084 -11.736 1061 3HB ALA 47 3HB ALA 47 -8.577 -8.406 -11.411 1062 H ILE 48 H ILE 48 -6.034 -5.413 -10.652 1063 HA ILE 48 HA ILE 48 -4.061 -7.655 -10.576 1064 HB ILE 48 HB ILE 48 -3.259 -4.779 -11.053 1065 1HG1 ILE 48 1HG1 ILE 48 -3.786 -6.893 -13.166 1066 2HG1 ILE 48 2HG1 ILE 48 -4.826 -5.504 -12.855 1067 1HG2 ILE 48 1HG2 ILE 48 -1.161 -5.646 -11.486 1068 2HG2 ILE 48 2HG2 ILE 48 -1.802 -7.184 -12.066 1069 3HG2 ILE 48 3HG2 ILE 48 -1.741 -6.851 -10.335 1070 1HD1 ILE 48 1HD1 ILE 48 -2.989 -3.974 -13.398 1071 2HD1 ILE 48 2HD1 ILE 48 -3.264 -5.085 -14.740 1072 3HD1 ILE 48 3HD1 ILE 48 -1.903 -5.341 -13.648 1073 H VAL 49 H VAL 49 -2.582 -7.450 -8.717 1074 HA VAL 49 HA VAL 49 -3.407 -5.423 -6.682 1075 HB VAL 49 HB VAL 49 -4.331 -7.998 -6.721 1076 1HG1 VAL 49 1HG1 VAL 49 -2.145 -8.068 -4.646 1077 2HG1 VAL 49 2HG1 VAL 49 -1.855 -8.665 -6.280 1078 3HG1 VAL 49 3HG1 VAL 49 -3.107 -9.404 -5.281 1079 1HG2 VAL 49 1HG2 VAL 49 -5.372 -7.310 -4.827 1080 2HG2 VAL 49 2HG2 VAL 49 -4.522 -5.788 -5.094 1081 3HG2 VAL 49 3HG2 VAL 49 -3.848 -6.993 -3.997 1082 H THR 50 H THR 50 -1.819 -5.787 -4.672 1083 HA THR 50 HA THR 50 0.930 -6.491 -5.578 1084 HB THR 50 HB THR 50 -0.008 -3.808 -4.513 1085 HG1 THR 50 HG1 THR 50 0.885 -3.132 -6.534 1086 1HG2 THR 50 1HG2 THR 50 2.499 -5.098 -4.168 1087 2HG2 THR 50 2HG2 THR 50 2.082 -3.428 -3.786 1088 3HG2 THR 50 3HG2 THR 50 2.729 -3.833 -5.375 1089 H LEU 51 H LEU 51 2.357 -6.913 -3.749 1090 HA LEU 51 HA LEU 51 0.998 -6.956 -1.078 1091 1HB LEU 51 1HB LEU 51 2.245 -9.109 -2.730 1092 2HB LEU 51 2HB LEU 51 2.483 -9.190 -0.984 1093 HG LEU 51 HG LEU 51 -0.270 -8.537 -1.602 1094 1HD1 LEU 51 1HD1 LEU 51 -0.493 -9.798 -3.482 1095 2HD1 LEU 51 2HD1 LEU 51 -0.415 -11.166 -2.372 1096 3HD1 LEU 51 3HD1 LEU 51 1.039 -10.631 -3.215 1097 1HD2 LEU 51 1HD2 LEU 51 0.524 -11.161 -0.442 1098 2HD2 LEU 51 2HD2 LEU 51 -0.644 -9.979 0.148 1099 3HD2 LEU 51 3HD2 LEU 51 1.081 -9.724 0.415 1100 H THR 52 H THR 52 2.261 -6.015 0.472 1101 HA THR 52 HA THR 52 5.096 -5.384 -0.177 1102 HB THR 52 HB THR 52 3.463 -4.496 2.208 1103 HG1 THR 52 HG1 THR 52 3.251 -2.628 0.518 1104 1HG2 THR 52 1HG2 THR 52 5.392 -2.793 0.692 1105 2HG2 THR 52 2HG2 THR 52 6.043 -4.068 1.721 1106 3HG2 THR 52 3HG2 THR 52 5.023 -2.809 2.416 1107 H TYR 53 H TYR 53 6.715 -6.576 0.744 1108 HA TYR 53 HA TYR 53 6.024 -8.368 3.039 1109 1HB TYR 53 1HB TYR 53 8.167 -8.404 0.893 1110 2HB TYR 53 2HB TYR 53 8.134 -9.542 2.239 1111 HD1 TYR 53 HD1 TYR 53 6.101 -8.257 -0.618 1112 HD2 TYR 53 HD2 TYR 53 6.753 -11.458 2.173 1113 HE1 TYR 53 HE1 TYR 53 4.464 -9.661 -1.845 1114 HE2 TYR 53 HE2 TYR 53 5.114 -12.861 0.947 1115 HH TYR 53 HH TYR 53 4.246 -12.611 -1.893 1116 H ASP 54 H ASP 54 7.376 -8.355 4.892 1117 HA ASP 54 HA ASP 54 8.623 -5.834 5.572 1118 1HB ASP 54 1HB ASP 54 7.697 -8.234 6.805 1119 2HB ASP 54 2HB ASP 54 9.365 -7.981 7.323 1120 H SER 55 H SER 55 9.778 -8.462 3.775 1121 HA SER 55 HA SER 55 12.466 -7.408 3.652 1122 1HB SER 55 1HB SER 55 13.571 -8.764 5.162 1123 2HB SER 55 2HB SER 55 12.005 -8.695 5.965 1124 HG SER 55 HG SER 55 11.606 -10.704 5.378 1125 H GLU 56 H GLU 56 13.939 -9.130 2.503 1126 HA GLU 56 HA GLU 56 12.489 -10.120 0.179 1127 1HB GLU 56 1HB GLU 56 15.295 -9.923 1.181 1128 2HB GLU 56 2HB GLU 56 14.979 -11.096 -0.098 1129 1HG GLU 56 1HG GLU 56 13.606 -8.942 -1.046 1130 2HG GLU 56 2HG GLU 56 14.929 -8.139 -0.199 1131 H TRP 57 H TRP 57 14.208 -11.655 2.912 1132 HA TRP 57 HA TRP 57 13.963 -14.362 2.176 1133 1HB TRP 57 1HB TRP 57 15.243 -13.548 4.088 1134 2HB TRP 57 2HB TRP 57 13.768 -12.988 4.876 1135 HD1 TRP 57 HD1 TRP 57 12.362 -14.708 6.198 1136 HE1 TRP 57 HE1 TRP 57 12.649 -17.209 6.756 1137 HE3 TRP 57 HE3 TRP 57 16.228 -15.873 3.070 1138 HZ2 TRP 57 HZ2 TRP 57 14.300 -19.411 5.979 1139 HZ3 TRP 57 HZ3 TRP 57 17.138 -18.178 2.999 1140 HH2 TRP 57 HH2 TRP 57 16.179 -19.947 4.448 1141 H GLN 58 H GLN 58 11.667 -12.409 4.105 1142 HA GLN 58 HA GLN 58 9.673 -14.371 4.501 1143 1HB GLN 58 1HB GLN 58 9.956 -12.027 5.469 1144 2HB GLN 58 2HB GLN 58 9.235 -11.419 3.979 1145 1HG GLN 58 1HG GLN 58 7.233 -12.836 4.401 1146 2HG GLN 58 2HG GLN 58 7.946 -13.349 5.930 1147 1HE2 GLN 58 1HE2 GLN 58 6.100 -12.290 7.067 1148 2HE2 GLN 58 2HE2 GLN 58 6.078 -10.603 7.255 1149 H ARG 59 H ARG 59 10.140 -12.151 1.743 1150 HA ARG 59 HA ARG 59 7.729 -12.704 0.342 1151 1HB ARG 59 1HB ARG 59 9.154 -10.879 -0.278 1152 2HB ARG 59 2HB ARG 59 10.537 -11.952 -0.505 1153 1HG ARG 59 1HG ARG 59 9.651 -12.871 -2.490 1154 2HG ARG 59 2HG ARG 59 8.023 -12.293 -2.135 1155 1HD ARG 59 1HD ARG 59 8.543 -10.562 -3.532 1156 2HD ARG 59 2HD ARG 59 9.512 -9.948 -2.176 1157 HE ARG 59 HE ARG 59 10.663 -11.840 -4.192 1158 1HH1 ARG 59 1HH2 ARG 59 10.581 -8.597 -3.874 1159 2HH1 ARG 59 2HH2 ARG 59 12.270 -8.360 -3.571 1160 1HH2 ARG 59 1HH1 ARG 59 12.928 -11.729 -3.093 1161 2HH2 ARG 59 2HH1 ARG 59 13.598 -10.131 -3.129 1162 H ASP 60 H ASP 60 10.881 -14.386 0.243 1163 HA ASP 60 HA ASP 60 10.278 -16.193 -1.872 1164 1HB ASP 60 1HB ASP 60 12.363 -16.972 -1.351 1165 2HB ASP 60 2HB ASP 60 12.410 -15.574 -0.282 1166 H GLN 61 H GLN 61 9.678 -16.455 1.636 1167 HA GLN 61 HA GLN 61 8.778 -19.179 1.621 1168 1HB GLN 61 1HB GLN 61 7.969 -16.882 3.431 1169 2HB GLN 61 2HB GLN 61 7.939 -18.599 3.834 1170 1HG GLN 61 1HG GLN 61 10.492 -18.488 3.173 1171 2HG GLN 61 2HG GLN 61 10.293 -16.771 3.523 1172 1HE2 GLN 61 1HE2 GLN 61 10.042 -16.135 5.731 1173 2HE2 GLN 61 2HE2 GLN 61 10.111 -17.236 7.022 1174 H PHE 62 H PHE 62 6.980 -16.093 1.357 1175 HA PHE 62 HA PHE 62 4.349 -17.120 1.321 1176 1HB PHE 62 1HB PHE 62 4.977 -14.736 1.417 1177 2HB PHE 62 2HB PHE 62 5.584 -14.824 -0.237 1178 HD1 PHE 62 HD1 PHE 62 2.535 -15.051 1.870 1179 HD2 PHE 62 HD2 PHE 62 4.104 -14.792 -2.121 1180 HE1 PHE 62 HE1 PHE 62 0.251 -14.619 0.999 1181 HE2 PHE 62 HE2 PHE 62 1.822 -14.359 -2.991 1182 HZ PHE 62 HZ PHE 62 -0.104 -14.273 -1.432 1183 H LEU 63 H LEU 63 6.680 -16.760 -1.360 1184 HA LEU 63 HA LEU 63 4.977 -17.573 -3.493 1185 1HB LEU 63 1HB LEU 63 7.904 -17.495 -2.892 1186 2HB LEU 63 2HB LEU 63 7.390 -18.416 -4.306 1187 HG LEU 63 HG LEU 63 6.362 -15.622 -3.846 1188 1HD1 LEU 63 1HD1 LEU 63 8.403 -14.746 -4.204 1189 2HD1 LEU 63 2HD1 LEU 63 8.469 -15.581 -5.755 1190 3HD1 LEU 63 3HD1 LEU 63 9.102 -16.362 -4.306 1191 1HD2 LEU 63 1HD2 LEU 63 5.307 -16.113 -5.777 1192 2HD2 LEU 63 2HD2 LEU 63 6.109 -17.682 -5.846 1193 3HD2 LEU 63 3HD2 LEU 63 6.876 -16.265 -6.565 1194 H SER 64 H SER 64 6.155 -19.377 -0.829 1195 HA SER 64 HA SER 64 5.916 -21.978 -2.265 1196 1HB SER 64 1HB SER 64 7.181 -22.833 -0.471 1197 2HB SER 64 2HB SER 64 7.812 -21.198 -0.644 1198 HG SER 64 HG SER 64 7.250 -21.782 1.536 1199 H GLN 65 H GLN 65 4.098 -19.884 -0.220 1200 HA GLN 65 HA GLN 65 2.390 -22.094 0.805 1201 1HB GLN 65 1HB GLN 65 2.079 -19.125 1.271 1202 2HB GLN 65 2HB GLN 65 1.587 -20.452 2.321 1203 1HG GLN 65 1HG GLN 65 4.462 -19.783 1.635 1204 2HG GLN 65 2HG GLN 65 3.650 -19.299 3.125 1205 1HE2 GLN 65 1HE2 GLN 65 4.721 -20.633 4.640 1206 2HE2 GLN 65 2HE2 GLN 65 4.731 -22.328 4.562 1207 H VAL 66 H VAL 66 2.536 -19.889 -1.802 1208 HA VAL 66 HA VAL 66 -0.344 -20.427 -2.438 1209 HB VAL 66 HB VAL 66 -0.285 -18.056 -3.395 1210 1HG1 VAL 66 1HG1 VAL 66 -1.476 -18.259 -1.381 1211 2HG1 VAL 66 2HG1 VAL 66 -0.266 -17.036 -0.992 1212 3HG1 VAL 66 3HG1 VAL 66 -0.036 -18.703 -0.466 1213 1HG2 VAL 66 1HG2 VAL 66 1.891 -17.305 -1.574 1214 2HG2 VAL 66 2HG2 VAL 66 1.594 -16.795 -3.236 1215 3HG2 VAL 66 3HG2 VAL 66 2.432 -18.314 -2.917 1216 H LYS 67 H LYS 67 -0.040 -21.898 -4.124 1217 HA LYS 67 HA LYS 67 2.134 -21.909 -5.974 1218 1HB LYS 67 1HB LYS 67 0.748 -23.844 -5.610 1219 2HB LYS 67 2HB LYS 67 -0.709 -22.954 -6.052 1220 1HG LYS 67 1HG LYS 67 -0.147 -24.250 -7.975 1221 2HG LYS 67 2HG LYS 67 0.372 -22.605 -8.345 1222 1HD LYS 67 1HD LYS 67 2.662 -23.317 -7.377 1223 2HD LYS 67 2HD LYS 67 2.068 -24.969 -7.549 1224 1HE LYS 67 1HE LYS 67 2.936 -24.783 -9.668 1225 2HE LYS 67 2HE LYS 67 1.426 -23.913 -10.003 1226 1HZ LYS 67 1HZ LYS 67 3.121 -22.430 -10.615 1227 2HZ LYS 67 2HZ LYS 67 4.057 -22.787 -9.243 1228 3HZ LYS 67 3HZ LYS 67 2.620 -21.894 -9.085 1229 H ILE 68 H ILE 68 2.558 -20.478 -7.601 1230 HA ILE 68 HA ILE 68 0.495 -18.533 -8.437 1231 HB ILE 68 HB ILE 68 3.431 -18.948 -9.084 1232 1HG1 ILE 68 1HG1 ILE 68 3.075 -18.269 -6.785 1233 2HG1 ILE 68 2HG1 ILE 68 3.638 -16.859 -7.683 1234 1HG2 ILE 68 1HG2 ILE 68 2.004 -17.782 -10.875 1235 2HG2 ILE 68 2HG2 ILE 68 3.398 -16.886 -10.270 1236 3HG2 ILE 68 3HG2 ILE 68 1.777 -16.493 -9.694 1237 1HD1 ILE 68 1HD1 ILE 68 1.826 -15.825 -6.782 1238 2HD1 ILE 68 2HD1 ILE 68 1.026 -17.351 -6.407 1239 3HD1 ILE 68 3HD1 ILE 68 0.925 -16.680 -8.035 1240 HA PRO 69 HA PRO 69 -0.623 -21.367 -11.734 1241 1HB PRO 69 1HB PRO 69 -2.305 -19.632 -13.019 1242 2HB PRO 69 2HB PRO 69 -2.785 -20.561 -11.584 1243 1HG PRO 69 1HG PRO 69 -1.937 -17.718 -11.798 1244 2HG PRO 69 2HG PRO 69 -3.198 -18.449 -10.793 1245 1HD PRO 69 1HD PRO 69 -0.749 -17.740 -9.844 1246 2HD PRO 69 2HD PRO 69 -1.725 -19.054 -9.154 1247 H LYS 70 H LYS 70 -0.059 -21.444 -13.996 1248 HA LYS 70 HA LYS 70 2.211 -19.835 -14.766 1249 1HB LYS 70 1HB LYS 70 0.386 -21.809 -16.152 1250 2HB LYS 70 2HB LYS 70 1.763 -21.071 -16.972 1251 1HG LYS 70 1HG LYS 70 3.273 -21.932 -15.222 1252 2HG LYS 70 2HG LYS 70 1.899 -22.675 -14.401 1253 1HD LYS 70 1HD LYS 70 2.792 -24.447 -15.676 1254 2HD LYS 70 2HD LYS 70 1.458 -23.859 -16.671 1255 1HE LYS 70 1HE LYS 70 3.201 -23.965 -18.240 1256 2HE LYS 70 2HE LYS 70 3.337 -22.282 -17.692 1257 1HZ LYS 70 1HZ LYS 70 5.106 -22.761 -16.340 1258 2HZ LYS 70 2HZ LYS 70 5.402 -23.861 -17.600 1259 3HZ LYS 70 3HZ LYS 70 4.681 -24.392 -16.156 1260 H THR 71 H THR 71 -1.153 -19.260 -14.916 1261 HA THR 71 HA THR 71 -1.084 -17.564 -17.321 1262 HB THR 71 HB THR 71 -3.217 -17.807 -15.181 1263 HG1 THR 71 HG1 THR 71 -3.920 -19.414 -16.955 1264 1HG2 THR 71 1HG2 THR 71 -4.040 -17.670 -17.966 1265 2HG2 THR 71 2HG2 THR 71 -3.036 -16.290 -17.522 1266 3HG2 THR 71 3HG2 THR 71 -4.506 -16.640 -16.612 1267 H ILE 72 H ILE 72 -0.718 -17.210 -13.865 1268 HA ILE 72 HA ILE 72 -1.008 -14.256 -13.993 1269 HB ILE 72 HB ILE 72 -0.576 -16.292 -11.792 1270 1HG1 ILE 72 1HG1 ILE 72 -2.881 -14.525 -12.657 1271 2HG1 ILE 72 2HG1 ILE 72 -2.832 -16.288 -12.634 1272 1HG2 ILE 72 1HG2 ILE 72 -0.940 -13.292 -11.519 1273 2HG2 ILE 72 2HG2 ILE 72 0.588 -14.140 -11.283 1274 3HG2 ILE 72 3HG2 ILE 72 -0.769 -14.451 -10.201 1275 1HD1 ILE 72 1HD1 ILE 72 -2.792 -14.433 -10.240 1276 2HD1 ILE 72 2HD1 ILE 72 -2.511 -16.171 -10.139 1277 3HD1 ILE 72 3HD1 ILE 72 -4.072 -15.561 -10.691 1278 H THR 73 H THR 73 0.777 -13.016 -14.380 1279 HA THR 73 HA THR 73 3.478 -14.232 -14.153 1280 HB THR 73 HB THR 73 2.456 -11.597 -15.264 1281 HG1 THR 73 HG1 THR 73 2.031 -12.750 -16.944 1282 1HG2 THR 73 1HG2 THR 73 4.724 -11.616 -16.408 1283 2HG2 THR 73 2HG2 THR 73 5.183 -12.904 -15.295 1284 3HG2 THR 73 3HG2 THR 73 4.757 -11.310 -14.673 1285 H VAL 74 H VAL 74 4.961 -13.576 -12.604 1286 HA VAL 74 HA VAL 74 3.969 -11.809 -10.450 1287 HB VAL 74 HB VAL 74 6.671 -13.123 -10.529 1288 1HG1 VAL 74 1HG1 VAL 74 6.167 -11.879 -8.544 1289 2HG1 VAL 74 2HG1 VAL 74 5.968 -13.581 -8.125 1290 3HG1 VAL 74 3HG1 VAL 74 4.551 -12.577 -8.438 1291 1HG2 VAL 74 1HG2 VAL 74 3.986 -14.498 -10.355 1292 2HG2 VAL 74 2HG2 VAL 74 5.422 -15.192 -9.604 1293 3HG2 VAL 74 3HG2 VAL 74 5.376 -14.936 -11.347 1294 H SER 75 H SER 75 5.712 -10.296 -9.500 1295 HA SER 75 HA SER 75 7.428 -9.045 -11.596 1296 1HB SER 75 1HB SER 75 4.889 -8.095 -10.675 1297 2HB SER 75 2HB SER 75 6.133 -6.983 -10.109 1298 HG SER 75 HG SER 75 5.912 -7.944 -12.773 1299 H THR 76 H THR 76 9.120 -7.693 -10.663 1300 HA THR 76 HA THR 76 9.430 -7.945 -7.692 1301 HB THR 76 HB THR 76 11.976 -8.157 -8.556 1302 HG1 THR 76 HG1 THR 76 10.533 -9.628 -10.478 1303 1HG2 THR 76 1HG2 THR 76 9.835 -10.202 -8.085 1304 2HG2 THR 76 2HG2 THR 76 11.232 -9.802 -7.087 1305 3HG2 THR 76 3HG2 THR 76 11.446 -10.734 -8.569 1306 H GLY 77 H GLY 77 10.102 -6.045 -6.732 1307 1HA GLY 77 1HA GLY 77 11.761 -4.078 -7.997 1308 2HA GLY 77 2HA GLY 77 10.071 -3.575 -8.088 1309 H PHE 78 H PHE 78 11.153 -1.807 -6.634 1310 HA PHE 78 HA PHE 78 10.550 -2.547 -3.818 1311 1HB PHE 78 1HB PHE 78 13.159 -1.392 -4.849 1312 2HB PHE 78 2HB PHE 78 12.733 -1.494 -3.140 1313 HD1 PHE 78 HD1 PHE 78 13.802 -3.346 -6.101 1314 HD2 PHE 78 HD2 PHE 78 12.418 -3.709 -2.050 1315 HE1 PHE 78 HE1 PHE 78 14.562 -5.707 -6.053 1316 HE2 PHE 78 HE2 PHE 78 13.180 -6.070 -2.001 1317 HZ PHE 78 HZ PHE 78 14.252 -7.068 -4.003 1318 H MET 79 H MET 79 10.094 -0.669 -2.494 1319 HA MET 79 HA MET 79 9.650 1.858 -4.056 1320 1HB MET 79 1HB MET 79 7.943 0.209 -2.239 1321 2HB MET 79 2HB MET 79 7.738 1.960 -2.175 1322 1HG MET 79 1HG MET 79 7.268 2.061 -4.543 1323 2HG MET 79 2HG MET 79 7.677 0.357 -4.744 1324 1HE MET 79 1HE MET 79 5.522 -0.729 -5.657 1325 2HE MET 79 2HE MET 79 3.969 0.062 -5.399 1326 3HE MET 79 3HE MET 79 5.336 0.979 -6.047 1327 H SER 80 H SER 80 9.357 3.765 -2.416 1328 HA SER 80 HA SER 80 11.134 3.420 -0.036 1329 1HB SER 80 1HB SER 80 12.732 4.614 -1.092 1330 2HB SER 80 2HB SER 80 11.711 4.718 -2.523 1331 HG SER 80 HG SER 80 12.398 6.663 -0.914 1332 H ILE 81 H ILE 81 9.697 3.906 1.595 1333 HA ILE 81 HA ILE 81 8.410 6.580 1.564 1334 HB ILE 81 HB ILE 81 6.826 4.061 2.126 1335 1HG1 ILE 81 1HG1 ILE 81 7.105 5.593 -0.480 1336 2HG1 ILE 81 2HG1 ILE 81 7.610 3.928 -0.189 1337 1HG2 ILE 81 1HG2 ILE 81 5.089 5.473 2.473 1338 2HG2 ILE 81 2HG2 ILE 81 5.499 6.451 1.064 1339 3HG2 ILE 81 3HG2 ILE 81 6.310 6.739 2.604 1340 1HD1 ILE 81 1HD1 ILE 81 4.852 4.262 0.595 1341 2HD1 ILE 81 2HD1 ILE 81 5.534 3.173 -0.614 1342 3HD1 ILE 81 3HD1 ILE 81 5.073 4.815 -1.064 Start of MODEL 4 1 1H MET 1 1H MET 1 14.842 2.841 -12.494 2 2H MET 1 2H MET 1 15.179 2.595 -14.141 3 3H MET 1 3H MET 1 15.656 1.438 -12.990 4 HA MET 1 HA MET 1 13.651 0.756 -14.253 5 1HB MET 1 1HB MET 1 13.605 1.282 -11.268 6 2HB MET 1 2HB MET 1 12.417 0.255 -12.072 7 1HG MET 1 1HG MET 1 14.355 -1.076 -13.018 8 2HG MET 1 2HG MET 1 15.416 -0.153 -11.953 9 1HE MET 1 1HE MET 1 15.477 0.041 -9.855 10 2HE MET 1 2HE MET 1 14.109 -0.231 -8.779 11 3HE MET 1 3HE MET 1 15.447 -1.386 -8.822 12 H THR 2 H THR 2 11.451 1.218 -14.749 13 HA THR 2 HA THR 2 10.616 3.798 -15.278 14 HB THR 2 HB THR 2 8.977 1.415 -14.354 15 HG1 THR 2 HG1 THR 2 9.048 0.822 -16.429 16 1HG2 THR 2 1HG2 THR 2 7.240 2.854 -14.462 17 2HG2 THR 2 2HG2 THR 2 7.503 2.867 -16.206 18 3HG2 THR 2 3HG2 THR 2 8.232 4.114 -15.195 19 HA PRO 3 HA PRO 3 10.588 5.286 -11.020 20 1HB PRO 3 1HB PRO 3 9.898 7.845 -11.683 21 2HB PRO 3 2HB PRO 3 11.561 7.237 -11.771 22 1HG PRO 3 1HG PRO 3 9.670 7.836 -13.927 23 2HG PRO 3 2HG PRO 3 11.434 7.761 -13.957 24 1HD PRO 3 1HD PRO 3 9.601 5.797 -14.876 25 2HD PRO 3 2HD PRO 3 11.369 5.676 -14.796 26 H ILE 4 H ILE 4 8.825 6.049 -9.648 27 HA ILE 4 HA ILE 4 6.114 6.134 -10.892 28 HB ILE 4 HB ILE 4 5.363 4.460 -9.193 29 1HG1 ILE 4 1HG1 ILE 4 7.585 3.138 -8.362 30 2HG1 ILE 4 2HG1 ILE 4 8.197 4.793 -8.371 31 1HG2 ILE 4 1HG2 ILE 4 7.699 3.394 -10.794 32 2HG2 ILE 4 2HG2 ILE 4 6.166 3.852 -11.536 33 3HG2 ILE 4 3HG2 ILE 4 6.216 2.547 -10.350 34 1HD1 ILE 4 1HD1 ILE 4 7.050 3.937 -6.207 35 2HD1 ILE 4 2HD1 ILE 4 5.544 4.132 -7.102 36 3HD1 ILE 4 3HD1 ILE 4 6.584 5.525 -6.813 37 H VAL 5 H VAL 5 4.466 6.837 -9.179 38 HA VAL 5 HA VAL 5 5.672 8.340 -6.906 39 HB VAL 5 HB VAL 5 5.555 9.712 -9.054 40 1HG1 VAL 5 1HG1 VAL 5 3.468 10.334 -9.947 41 2HG1 VAL 5 2HG1 VAL 5 2.597 9.841 -8.495 42 3HG1 VAL 5 3HG1 VAL 5 3.251 8.620 -9.587 43 1HG2 VAL 5 1HG2 VAL 5 4.950 10.377 -6.384 44 2HG2 VAL 5 2HG2 VAL 5 3.744 11.215 -7.359 45 3HG2 VAL 5 3HG2 VAL 5 5.462 11.483 -7.659 46 H HIS 6 H HIS 6 4.380 8.102 -5.119 47 HA HIS 6 HA HIS 6 1.590 7.100 -5.522 48 1HB HIS 6 1HB HIS 6 3.788 6.714 -3.562 49 2HB HIS 6 2HB HIS 6 2.158 6.731 -2.892 50 HD1 HIS 6 HD1 HIS 6 2.542 4.119 -2.429 51 HD2 HIS 6 HD2 HIS 6 2.373 5.210 -6.449 52 HE1 HIS 6 HE1 HIS 6 2.176 1.981 -3.737 53 H LEU 7 H LEU 7 -0.015 8.587 -5.159 54 HA LEU 7 HA LEU 7 0.606 10.938 -3.400 55 1HB LEU 7 1HB LEU 7 -1.453 10.646 -5.612 56 2HB LEU 7 2HB LEU 7 -0.974 12.141 -4.807 57 HG LEU 7 HG LEU 7 1.093 10.454 -6.196 58 1HD1 LEU 7 1HD1 LEU 7 -0.984 11.071 -7.679 59 2HD1 LEU 7 2HD1 LEU 7 0.640 11.381 -8.295 60 3HD1 LEU 7 3HD1 LEU 7 -0.313 12.701 -7.616 61 1HD2 LEU 7 1HD2 LEU 7 1.709 13.079 -6.583 62 2HD2 LEU 7 2HD2 LEU 7 2.246 12.150 -5.185 63 3HD2 LEU 7 3HD2 LEU 7 0.820 13.180 -5.064 64 H LYS 8 H LYS 8 -0.944 11.490 -1.794 65 HA LYS 8 HA LYS 8 -3.329 9.705 -1.530 66 1HB LYS 8 1HB LYS 8 -1.582 8.686 -0.216 67 2HB LYS 8 2HB LYS 8 -1.125 10.241 0.479 68 1HG LYS 8 1HG LYS 8 -3.176 10.390 1.715 69 2HG LYS 8 2HG LYS 8 -3.870 9.021 0.847 70 1HD LYS 8 1HD LYS 8 -3.071 8.370 3.106 71 2HD LYS 8 2HD LYS 8 -2.201 7.518 1.830 72 1HE LYS 8 1HE LYS 8 -0.411 9.323 1.985 73 2HE LYS 8 2HE LYS 8 -1.229 9.887 3.456 74 1HZ LYS 8 1HZ LYS 8 0.170 8.314 4.331 75 2HZ LYS 8 2HZ LYS 8 0.122 7.327 2.948 76 3HZ LYS 8 3HZ LYS 8 -1.194 7.355 4.021 77 H GLY 9 H GLY 9 -4.873 10.576 0.134 78 1HA GLY 9 1HA GLY 9 -4.900 12.897 1.540 79 2HA GLY 9 2HA GLY 9 -5.070 13.501 -0.109 80 H ASP 10 H ASP 10 -7.216 14.241 0.884 81 HA ASP 10 HA ASP 10 -9.273 12.364 1.575 82 1HB ASP 10 1HB ASP 10 -9.094 15.220 0.649 83 2HB ASP 10 2HB ASP 10 -10.678 14.457 0.784 84 H ALA 11 H ALA 11 -10.799 11.318 0.260 85 HA ALA 11 HA ALA 11 -10.198 10.518 -2.351 86 1HB ALA 11 1HB ALA 11 -12.987 10.979 -1.262 87 2HB ALA 11 2HB ALA 11 -12.464 9.718 -2.379 88 3HB ALA 11 3HB ALA 11 -11.948 9.672 -0.693 89 H ASN 12 H ASN 12 -12.861 12.818 -1.668 90 HA ASN 12 HA ASN 12 -13.311 13.816 -4.209 91 1HB ASN 12 1HB ASN 12 -13.154 15.382 -1.611 92 2HB ASN 12 2HB ASN 12 -14.088 15.842 -3.035 93 1HD2 ASN 12 1HD2 ASN 12 -14.816 12.938 -3.555 94 2HD2 ASN 12 2HD2 ASN 12 -16.013 12.580 -2.407 95 H THR 13 H THR 13 -10.780 14.928 -1.942 96 HA THR 13 HA THR 13 -9.720 17.051 -3.496 97 HB THR 13 HB THR 13 -8.565 15.096 -1.496 98 HG1 THR 13 HG1 THR 13 -10.160 16.951 -1.131 99 1HG2 THR 13 1HG2 THR 13 -6.510 15.725 -2.181 100 2HG2 THR 13 2HG2 THR 13 -6.899 17.325 -1.549 101 3HG2 THR 13 3HG2 THR 13 -7.168 16.959 -3.253 102 H LEU 14 H LEU 14 -9.310 13.567 -3.792 103 HA LEU 14 HA LEU 14 -7.013 13.703 -5.585 104 1HB LEU 14 1HB LEU 14 -9.025 11.588 -4.775 105 2HB LEU 14 2HB LEU 14 -7.696 11.254 -5.885 106 HG LEU 14 HG LEU 14 -7.101 12.584 -3.263 107 1HD1 LEU 14 1HD1 LEU 14 -8.272 10.787 -2.350 108 2HD1 LEU 14 2HD1 LEU 14 -6.663 10.089 -2.523 109 3HD1 LEU 14 3HD1 LEU 14 -7.913 9.729 -3.713 110 1HD2 LEU 14 1HD2 LEU 14 -5.355 10.456 -4.195 111 2HD2 LEU 14 2HD2 LEU 14 -4.980 12.156 -3.907 112 3HD2 LEU 14 3HD2 LEU 14 -5.629 11.648 -5.465 113 H LYS 15 H LYS 15 -10.520 13.651 -5.939 114 HA LYS 15 HA LYS 15 -10.728 12.930 -8.684 115 1HB LYS 15 1HB LYS 15 -12.574 13.124 -7.022 116 2HB LYS 15 2HB LYS 15 -12.376 14.877 -7.033 117 1HG LYS 15 1HG LYS 15 -12.782 14.801 -9.537 118 2HG LYS 15 2HG LYS 15 -13.242 13.110 -9.333 119 1HD LYS 15 1HD LYS 15 -14.525 15.425 -7.854 120 2HD LYS 15 2HD LYS 15 -15.207 14.654 -9.287 121 1HE LYS 15 1HE LYS 15 -15.871 12.792 -8.122 122 2HE LYS 15 2HE LYS 15 -14.439 12.816 -7.074 123 1HZ LYS 15 1HZ LYS 15 -15.483 15.038 -6.262 124 2HZ LYS 15 2HZ LYS 15 -16.052 13.564 -5.637 125 3HZ LYS 15 3HZ LYS 15 -16.928 14.370 -6.848 126 H CYS 16 H CYS 16 -10.000 16.026 -7.121 127 HA CYS 16 HA CYS 16 -10.220 17.660 -9.491 128 1HB CYS 16 1HB CYS 16 -10.369 18.633 -7.304 129 2HB CYS 16 2HB CYS 16 -8.833 17.918 -6.812 130 HG CYS 16 HG CYS 16 -8.885 20.586 -7.804 131 H LEU 17 H LEU 17 -7.516 15.915 -7.964 132 HA LEU 17 HA LEU 17 -5.375 17.001 -9.482 133 1HB LEU 17 1HB LEU 17 -5.804 14.184 -8.433 134 2HB LEU 17 2HB LEU 17 -4.244 14.912 -8.820 135 HG LEU 17 HG LEU 17 -6.167 15.703 -6.625 136 1HD1 LEU 17 1HD1 LEU 17 -4.376 15.158 -5.162 137 2HD1 LEU 17 2HD1 LEU 17 -3.202 15.143 -6.477 138 3HD1 LEU 17 3HD1 LEU 17 -4.399 13.856 -6.351 139 1HD2 LEU 17 1HD2 LEU 17 -3.840 17.213 -7.832 140 2HD2 LEU 17 2HD2 LEU 17 -4.394 17.512 -6.186 141 3HD2 LEU 17 3HD2 LEU 17 -5.481 17.793 -7.546 142 H ARG 18 H ARG 18 -7.385 14.114 -10.147 143 HA ARG 18 HA ARG 18 -6.218 13.174 -12.494 144 1HB ARG 18 1HB ARG 18 -8.338 12.490 -11.094 145 2HB ARG 18 2HB ARG 18 -9.201 13.477 -12.275 146 1HG ARG 18 1HG ARG 18 -8.248 12.153 -14.110 147 2HG ARG 18 2HG ARG 18 -7.339 11.180 -12.952 148 1HD ARG 18 1HD ARG 18 -9.216 9.826 -13.252 149 2HD ARG 18 2HD ARG 18 -9.775 10.827 -11.896 150 HE ARG 18 HE ARG 18 -10.282 11.785 -14.669 151 1HH1 ARG 18 1HH1 ARG 18 -11.272 11.908 -11.487 152 2HH1 ARG 18 2HH1 ARG 18 -12.966 11.748 -11.813 153 1HH2 ARG 18 1HH2 ARG 18 -12.520 11.003 -15.169 154 2HH2 ARG 18 2HH2 ARG 18 -13.671 11.235 -13.897 155 H TYR 19 H TYR 19 -8.272 16.030 -12.090 156 HA TYR 19 HA TYR 19 -8.771 16.564 -14.860 157 1HB TYR 19 1HB TYR 19 -10.062 17.628 -13.148 158 2HB TYR 19 2HB TYR 19 -8.617 18.239 -12.343 159 HD1 TYR 19 HD1 TYR 19 -11.159 18.931 -14.778 160 HD2 TYR 19 HD2 TYR 19 -7.127 19.896 -13.649 161 HE1 TYR 19 HE1 TYR 19 -11.276 21.007 -16.132 162 HE2 TYR 19 HE2 TYR 19 -7.245 21.971 -15.002 163 HH TYR 19 HH TYR 19 -10.258 22.975 -16.566 164 H ARG 20 H ARG 20 -6.113 17.516 -12.686 165 HA ARG 20 HA ARG 20 -4.815 19.294 -14.557 166 1HB ARG 20 1HB ARG 20 -4.275 17.953 -11.959 167 2HB ARG 20 2HB ARG 20 -2.854 18.462 -12.871 168 1HG ARG 20 1HG ARG 20 -3.506 20.729 -12.861 169 2HG ARG 20 2HG ARG 20 -5.175 20.337 -12.444 170 1HD ARG 20 1HD ARG 20 -4.712 20.197 -10.207 171 2HD ARG 20 2HD ARG 20 -3.138 19.427 -10.486 172 HE ARG 20 HE ARG 20 -2.547 21.854 -11.399 173 1HH1 ARG 20 1HH1 ARG 20 -3.342 20.706 -8.362 174 2HH1 ARG 20 2HH1 ARG 20 -3.552 22.261 -7.627 175 1HH2 ARG 20 1HH2 ARG 20 -3.333 23.999 -10.618 176 2HH2 ARG 20 2HH2 ARG 20 -3.546 24.125 -8.904 177 H PHE 21 H PHE 21 -4.606 15.812 -13.930 178 HA PHE 21 HA PHE 21 -2.224 15.294 -15.456 179 1HB PHE 21 1HB PHE 21 -4.646 13.586 -14.790 180 2HB PHE 21 2HB PHE 21 -3.109 12.961 -15.381 181 HD1 PHE 21 HD1 PHE 21 -2.182 15.712 -13.516 182 HD2 PHE 21 HD2 PHE 21 -3.780 11.758 -12.975 183 HE1 PHE 21 HE1 PHE 21 -1.304 15.674 -11.198 184 HE2 PHE 21 HE2 PHE 21 -2.900 11.722 -10.657 185 HZ PHE 21 HZ PHE 21 -1.662 13.678 -9.768 186 H LYS 22 H LYS 22 -5.635 15.607 -16.338 187 HA LYS 22 HA LYS 22 -5.496 14.458 -18.954 188 1HB LYS 22 1HB LYS 22 -7.234 16.477 -17.540 189 2HB LYS 22 2HB LYS 22 -7.515 16.089 -19.239 190 1HG LYS 22 1HG LYS 22 -7.350 14.008 -17.042 191 2HG LYS 22 2HG LYS 22 -8.864 14.682 -17.648 192 1HD LYS 22 1HD LYS 22 -8.755 13.511 -19.603 193 2HD LYS 22 2HD LYS 22 -7.005 13.697 -19.729 194 1HE LYS 22 1HE LYS 22 -7.852 11.308 -19.294 195 2HE LYS 22 2HE LYS 22 -6.618 11.903 -18.164 196 1HZ LYS 22 1HZ LYS 22 -8.885 10.926 -17.294 197 2HZ LYS 22 2HZ LYS 22 -9.424 12.510 -17.592 198 3HZ LYS 22 3HZ LYS 22 -8.136 12.235 -16.517 199 H LYS 23 H LYS 23 -4.222 17.406 -17.692 200 HA LYS 23 HA LYS 23 -4.233 18.927 -20.175 201 1HB LYS 23 1HB LYS 23 -2.639 19.119 -17.597 202 2HB LYS 23 2HB LYS 23 -2.667 20.364 -18.847 203 1HG LYS 23 1HG LYS 23 -5.273 19.370 -17.749 204 2HG LYS 23 2HG LYS 23 -4.324 20.501 -16.784 205 1HD LYS 23 1HD LYS 23 -4.457 22.196 -18.411 206 2HD LYS 23 2HD LYS 23 -4.875 21.059 -19.693 207 1HE LYS 23 1HE LYS 23 -6.831 20.954 -17.535 208 2HE LYS 23 2HE LYS 23 -6.691 22.590 -18.210 209 1HZ LYS 23 1HZ LYS 23 -8.171 21.456 -19.626 210 2HZ LYS 23 2HZ LYS 23 -7.204 20.058 -19.662 211 3HZ LYS 23 3HZ LYS 23 -6.690 21.471 -20.455 212 H HIS 24 H HIS 24 -1.862 16.884 -18.462 213 HA HIS 24 HA HIS 24 0.073 17.186 -20.700 214 1HB HIS 24 1HB HIS 24 0.401 15.487 -18.230 215 2HB HIS 24 2HB HIS 24 1.640 16.336 -19.152 216 HD1 HIS 24 HD1 HIS 24 0.397 19.145 -19.274 217 HD2 HIS 24 HD2 HIS 24 0.520 16.841 -15.802 218 HE1 HIS 24 HE1 HIS 24 0.210 20.763 -17.333 219 H CYS 25 H CYS 25 -1.524 15.983 -22.134 220 HA CYS 25 HA CYS 25 -2.359 13.312 -21.740 221 1HB CYS 25 1HB CYS 25 -2.499 13.347 -24.250 222 2HB CYS 25 2HB CYS 25 -3.213 14.762 -23.478 223 HG CYS 25 HG CYS 25 -1.155 15.007 -25.514 224 H THR 26 H THR 26 0.874 14.375 -22.029 225 HA THR 26 HA THR 26 1.710 11.575 -22.652 226 HB THR 26 HB THR 26 1.872 12.655 -24.756 227 HG1 THR 26 HG1 THR 26 4.111 12.848 -25.044 228 1HG2 THR 26 1HG2 THR 26 1.505 14.912 -24.452 229 2HG2 THR 26 2HG2 THR 26 3.247 14.936 -24.726 230 3HG2 THR 26 3HG2 THR 26 2.614 15.016 -23.083 231 H LEU 27 H LEU 27 1.692 13.200 -20.134 232 HA LEU 27 HA LEU 27 4.573 13.734 -19.662 233 1HB LEU 27 1HB LEU 27 2.004 14.565 -18.617 234 2HB LEU 27 2HB LEU 27 3.052 14.029 -17.305 235 HG LEU 27 HG LEU 27 3.672 16.139 -19.388 236 1HD1 LEU 27 1HD1 LEU 27 2.573 16.193 -16.738 237 2HD1 LEU 27 2HD1 LEU 27 2.931 17.552 -17.803 238 3HD1 LEU 27 3HD1 LEU 27 4.167 16.945 -16.702 239 1HD2 LEU 27 1HD2 LEU 27 5.711 16.087 -17.473 240 2HD2 LEU 27 2HD2 LEU 27 5.832 15.526 -19.141 241 3HD2 LEU 27 3HD2 LEU 27 5.428 14.388 -17.856 242 H TYR 28 H TYR 28 2.017 11.470 -18.668 243 HA TYR 28 HA TYR 28 4.024 9.961 -17.045 244 1HB TYR 28 1HB TYR 28 1.879 8.920 -16.141 245 2HB TYR 28 2HB TYR 28 2.065 10.644 -15.824 246 HD1 TYR 28 HD1 TYR 28 0.628 12.283 -16.870 247 HD2 TYR 28 HD2 TYR 28 0.356 8.126 -17.936 248 HE1 TYR 28 HE1 TYR 28 -1.492 12.729 -18.081 249 HE2 TYR 28 HE2 TYR 28 -1.764 8.575 -19.143 250 HH TYR 28 HH TYR 28 -3.017 11.879 -19.490 251 H THR 29 H THR 29 3.668 7.501 -17.161 252 HA THR 29 HA THR 29 3.419 6.713 -20.025 253 HB THR 29 HB THR 29 4.621 5.430 -17.556 254 HG1 THR 29 HG1 THR 29 5.596 7.268 -18.823 255 1HG2 THR 29 1HG2 THR 29 4.924 3.480 -18.679 256 2HG2 THR 29 2HG2 THR 29 5.270 4.306 -20.198 257 3HG2 THR 29 3HG2 THR 29 3.599 4.044 -19.697 258 H ALA 30 H ALA 30 2.059 5.971 -16.820 259 HA ALA 30 HA ALA 30 -0.302 4.768 -18.105 260 1HB ALA 30 1HB ALA 30 0.374 2.625 -17.906 261 2HB ALA 30 2HB ALA 30 1.951 3.208 -17.373 262 3HB ALA 30 3HB ALA 30 0.693 2.859 -16.187 263 H VAL 31 H VAL 31 -1.937 5.667 -16.904 264 HA VAL 31 HA VAL 31 -1.472 6.375 -14.063 265 HB VAL 31 HB VAL 31 -2.533 8.000 -15.527 266 1HG1 VAL 31 1HG1 VAL 31 -3.862 5.623 -16.526 267 2HG1 VAL 31 2HG1 VAL 31 -3.743 7.220 -17.262 268 3HG1 VAL 31 3HG1 VAL 31 -5.041 6.871 -16.122 269 1HG2 VAL 31 1HG2 VAL 31 -4.222 8.597 -14.074 270 2HG2 VAL 31 2HG2 VAL 31 -3.469 7.334 -13.100 271 3HG2 VAL 31 3HG2 VAL 31 -4.914 6.974 -14.047 272 H SER 32 H SER 32 -1.673 4.549 -12.756 273 HA SER 32 HA SER 32 -3.432 2.334 -13.316 274 1HB SER 32 1HB SER 32 -2.908 2.059 -10.719 275 2HB SER 32 2HB SER 32 -1.650 1.811 -11.925 276 HG SER 32 HG SER 32 -0.683 3.298 -10.769 277 H SER 33 H SER 33 -5.393 1.765 -12.157 278 HA SER 33 HA SER 33 -7.289 3.872 -11.824 279 1HB SER 33 1HB SER 33 -8.588 1.969 -10.709 280 2HB SER 33 2HB SER 33 -7.985 1.634 -12.331 281 HG SER 33 HG SER 33 -7.506 0.292 -10.122 282 H THR 34 H THR 34 -8.408 4.411 -9.736 283 HA THR 34 HA THR 34 -6.552 5.259 -7.705 284 HB THR 34 HB THR 34 -9.560 5.056 -7.939 285 HG1 THR 34 HG1 THR 34 -9.196 6.843 -8.944 286 1HG2 THR 34 1HG2 THR 34 -9.739 5.373 -5.723 287 2HG2 THR 34 2HG2 THR 34 -8.851 6.887 -5.902 288 3HG2 THR 34 3HG2 THR 34 -7.983 5.391 -5.556 289 H TRP 35 H TRP 35 -5.724 4.030 -6.029 290 HA TRP 35 HA TRP 35 -7.406 1.860 -4.879 291 1HB TRP 35 1HB TRP 35 -5.744 0.209 -5.290 292 2HB TRP 35 2HB TRP 35 -5.826 1.118 -6.799 293 HD1 TRP 35 HD1 TRP 35 -3.755 2.540 -7.500 294 HE1 TRP 35 HE1 TRP 35 -1.361 2.769 -6.568 295 HE3 TRP 35 HE3 TRP 35 -4.326 0.171 -3.012 296 HZ2 TRP 35 HZ2 TRP 35 0.117 2.041 -4.223 297 HZ3 TRP 35 HZ3 TRP 35 -2.415 -0.048 -1.450 298 HH2 TRP 35 HH2 TRP 35 -0.195 0.883 -2.050 299 H HIS 36 H HIS 36 -6.164 0.973 -2.841 300 HA HIS 36 HA HIS 36 -4.219 2.813 -1.636 301 1HB HIS 36 1HB HIS 36 -5.904 3.311 0.249 302 2HB HIS 36 2HB HIS 36 -6.171 4.130 -1.289 303 HD1 HIS 36 HD1 HIS 36 -7.505 1.308 0.827 304 HD2 HIS 36 HD2 HIS 36 -8.500 3.338 -2.675 305 HE1 HIS 36 HE1 HIS 36 -9.839 0.551 0.199 306 H TRP 37 H TRP 37 -4.234 2.173 0.929 307 HA TRP 37 HA TRP 37 -3.597 -0.682 0.994 308 1HB TRP 37 1HB TRP 37 -3.630 1.549 3.049 309 2HB TRP 37 2HB TRP 37 -3.012 -0.071 3.371 310 HD1 TRP 37 HD1 TRP 37 -1.812 3.178 2.409 311 HE1 TRP 37 HE1 TRP 37 0.459 3.049 1.195 312 HE3 TRP 37 HE3 TRP 37 -1.681 -1.809 1.316 313 HZ2 TRP 37 HZ2 TRP 37 2.111 1.088 -0.074 314 HZ3 TRP 37 HZ3 TRP 37 0.252 -2.782 0.104 315 HH2 TRP 37 HH2 TRP 37 2.146 -1.341 -0.591 316 H THR 38 H THR 38 -4.629 -2.214 2.444 317 HA THR 38 HA THR 38 -7.281 -1.405 3.547 318 HB THR 38 HB THR 38 -7.972 -3.737 2.452 319 HG1 THR 38 HG1 THR 38 -6.376 -2.923 0.368 320 1HG2 THR 38 1HG2 THR 38 -9.057 -2.515 0.781 321 2HG2 THR 38 2HG2 THR 38 -7.694 -1.416 0.564 322 3HG2 THR 38 3HG2 THR 38 -8.724 -1.273 1.989 323 H GLY 39 H GLY 39 -8.133 -3.915 4.355 324 1HA GLY 39 1HA GLY 39 -7.000 -5.931 5.456 325 2HA GLY 39 2HA GLY 39 -5.952 -4.741 6.228 326 H HIS 40 H HIS 40 -6.547 -4.327 8.288 327 HA HIS 40 HA HIS 40 -8.818 -5.198 9.638 328 1HB HIS 40 1HB HIS 40 -7.272 -2.610 10.011 329 2HB HIS 40 2HB HIS 40 -8.245 -3.409 11.248 330 HD1 HIS 40 HD1 HIS 40 -4.864 -3.261 9.979 331 HD2 HIS 40 HD2 HIS 40 -7.226 -6.213 11.736 332 HE1 HIS 40 HE1 HIS 40 -3.276 -5.059 10.795 333 H ASN 41 H ASN 41 -8.559 -2.505 7.417 334 HA ASN 41 HA ASN 41 -11.471 -1.943 7.847 335 1HB ASN 41 1HB ASN 41 -9.997 -0.293 9.000 336 2HB ASN 41 2HB ASN 41 -9.237 0.075 7.452 337 1HD2 ASN 41 1HD2 ASN 41 -12.698 -0.416 8.360 338 2HD2 ASN 41 2HD2 ASN 41 -13.223 1.069 7.727 339 H VAL 42 H VAL 42 -11.499 -3.415 5.853 340 HA VAL 42 HA VAL 42 -10.312 -2.805 3.371 341 HB VAL 42 HB VAL 42 -12.275 -4.049 2.464 342 1HG1 VAL 42 1HG1 VAL 42 -11.918 -6.092 3.751 343 2HG1 VAL 42 2HG1 VAL 42 -11.281 -5.161 5.106 344 3HG1 VAL 42 3HG1 VAL 42 -10.385 -5.236 3.589 345 1HG2 VAL 42 1HG2 VAL 42 -13.831 -2.846 4.170 346 2HG2 VAL 42 2HG2 VAL 42 -13.343 -4.123 5.284 347 3HG2 VAL 42 3HG2 VAL 42 -14.171 -4.532 3.782 348 H LYS 43 H LYS 43 -12.887 -1.179 5.075 349 HA LYS 43 HA LYS 43 -14.202 0.169 2.945 350 1HB LYS 43 1HB LYS 43 -13.719 0.552 5.868 351 2HB LYS 43 2HB LYS 43 -14.361 1.929 4.972 352 1HG LYS 43 1HG LYS 43 -16.056 0.195 4.000 353 2HG LYS 43 2HG LYS 43 -15.589 -0.787 5.389 354 1HD LYS 43 1HD LYS 43 -16.000 1.523 6.676 355 2HD LYS 43 2HD LYS 43 -17.083 1.795 5.311 356 1HE LYS 43 1HE LYS 43 -18.622 0.510 6.370 357 2HE LYS 43 2HE LYS 43 -17.535 -0.877 6.155 358 1HZ LYS 43 1HZ LYS 43 -18.058 -0.360 8.522 359 2HZ LYS 43 2HZ LYS 43 -17.249 1.123 8.332 360 3HZ LYS 43 3HZ LYS 43 -16.400 -0.340 8.162 361 H HIS 44 H HIS 44 -13.936 2.589 2.498 362 HA HIS 44 HA HIS 44 -11.512 3.267 1.325 363 1HB HIS 44 1HB HIS 44 -13.892 4.655 2.382 364 2HB HIS 44 2HB HIS 44 -12.467 5.683 2.236 365 HD1 HIS 44 HD1 HIS 44 -15.182 5.458 0.340 366 HD2 HIS 44 HD2 HIS 44 -11.277 4.324 -0.579 367 HE1 HIS 44 HE1 HIS 44 -15.014 5.450 -2.187 368 H LYS 45 H LYS 45 -9.520 3.186 2.319 369 HA LYS 45 HA LYS 45 -9.291 4.238 5.117 370 1HB LYS 45 1HB LYS 45 -8.460 1.857 3.810 371 2HB LYS 45 2HB LYS 45 -6.995 2.774 4.167 372 1HG LYS 45 1HG LYS 45 -8.020 3.101 6.525 373 2HG LYS 45 2HG LYS 45 -9.100 1.777 6.085 374 1HD LYS 45 1HD LYS 45 -7.472 0.347 6.700 375 2HD LYS 45 2HD LYS 45 -6.531 0.923 5.322 376 1HE LYS 45 1HE LYS 45 -5.021 1.524 6.948 377 2HE LYS 45 2HE LYS 45 -6.085 2.931 7.138 378 1HZ LYS 45 1HZ LYS 45 -5.928 1.947 9.264 379 2HZ LYS 45 2HZ LYS 45 -6.160 0.380 8.649 380 3HZ LYS 45 3HZ LYS 45 -7.446 1.490 8.660 381 H SER 46 H SER 46 -7.284 3.975 2.147 382 HA SER 46 HA SER 46 -6.508 6.834 2.492 383 1HB SER 46 1HB SER 46 -4.786 4.382 2.672 384 2HB SER 46 2HB SER 46 -4.096 5.859 2.006 385 HG SER 46 HG SER 46 -3.876 5.639 4.315 386 H ALA 47 H ALA 47 -8.099 6.542 0.492 387 HA ALA 47 HA ALA 47 -7.501 5.289 -1.910 388 1HB ALA 47 1HB ALA 47 -9.181 7.295 -0.986 389 2HB ALA 47 2HB ALA 47 -8.228 8.119 -2.219 390 3HB ALA 47 3HB ALA 47 -9.151 6.677 -2.638 391 H ILE 48 H ILE 48 -5.771 5.385 -3.307 392 HA ILE 48 HA ILE 48 -4.107 7.864 -3.365 393 HB ILE 48 HB ILE 48 -3.281 5.029 -2.735 394 1HG1 ILE 48 1HG1 ILE 48 -2.438 7.616 -1.427 395 2HG1 ILE 48 2HG1 ILE 48 -3.934 6.800 -0.978 396 1HG2 ILE 48 1HG2 ILE 48 -1.846 7.023 -4.300 397 2HG2 ILE 48 2HG2 ILE 48 -1.420 5.343 -3.974 398 3HG2 ILE 48 3HG2 ILE 48 -0.970 6.604 -2.827 399 1HD1 ILE 48 1HD1 ILE 48 -1.289 6.208 -0.096 400 2HD1 ILE 48 2HD1 ILE 48 -1.840 4.848 -1.075 401 3HD1 ILE 48 3HD1 ILE 48 -2.784 5.369 0.321 402 H VAL 49 H VAL 49 -3.257 8.292 -5.404 403 HA VAL 49 HA VAL 49 -3.960 6.343 -7.570 404 HB VAL 49 HB VAL 49 -3.382 9.304 -7.820 405 1HG1 VAL 49 1HG1 VAL 49 -4.534 9.118 -9.901 406 2HG1 VAL 49 2HG1 VAL 49 -5.171 7.526 -9.489 407 3HG1 VAL 49 3HG1 VAL 49 -3.453 7.726 -9.836 408 1HG2 VAL 49 1HG2 VAL 49 -5.930 9.508 -7.797 409 2HG2 VAL 49 2HG2 VAL 49 -5.173 9.205 -6.234 410 3HG2 VAL 49 3HG2 VAL 49 -5.961 7.888 -7.103 411 H THR 50 H THR 50 -2.167 5.257 -8.290 412 HA THR 50 HA THR 50 0.523 6.458 -7.935 413 HB THR 50 HB THR 50 -0.509 3.742 -8.812 414 HG1 THR 50 HG1 THR 50 -0.338 4.817 -6.478 415 1HG2 THR 50 1HG2 THR 50 2.157 3.499 -8.038 416 2HG2 THR 50 2HG2 THR 50 2.130 4.957 -9.032 417 3HG2 THR 50 3HG2 THR 50 1.543 3.429 -9.690 418 H LEU 51 H LEU 51 1.896 6.910 -9.721 419 HA LEU 51 HA LEU 51 0.689 6.617 -12.445 420 1HB LEU 51 1HB LEU 51 1.919 9.059 -11.130 421 2HB LEU 51 2HB LEU 51 1.575 8.955 -12.858 422 HG LEU 51 HG LEU 51 -0.821 8.192 -11.952 423 1HD1 LEU 51 1HD1 LEU 51 -0.156 10.242 -9.872 424 2HD1 LEU 51 2HD1 LEU 51 0.274 8.560 -9.559 425 3HD1 LEU 51 3HD1 LEU 51 -1.408 9.000 -9.859 426 1HD2 LEU 51 1HD2 LEU 51 -1.551 10.276 -12.640 427 2HD2 LEU 51 2HD2 LEU 51 0.096 10.327 -13.271 428 3HD2 LEU 51 3HD2 LEU 51 -0.290 11.128 -11.747 429 H THR 52 H THR 52 2.130 5.743 -13.851 430 HA THR 52 HA THR 52 4.974 5.469 -13.019 431 HB THR 52 HB THR 52 4.689 3.976 -15.265 432 HG1 THR 52 HG1 THR 52 2.167 3.738 -14.063 433 1HG2 THR 52 1HG2 THR 52 5.415 3.050 -13.166 434 2HG2 THR 52 2HG2 THR 52 4.029 2.100 -13.702 435 3HG2 THR 52 3HG2 THR 52 3.829 3.314 -12.439 436 H TYR 53 H TYR 53 6.605 6.500 -14.140 437 HA TYR 53 HA TYR 53 5.796 8.201 -16.471 438 1HB TYR 53 1HB TYR 53 7.998 8.398 -14.394 439 2HB TYR 53 2HB TYR 53 7.851 9.497 -15.764 440 HD1 TYR 53 HD1 TYR 53 6.219 8.316 -12.649 441 HD2 TYR 53 HD2 TYR 53 6.162 11.210 -15.825 442 HE1 TYR 53 HE1 TYR 53 4.563 9.669 -11.388 443 HE2 TYR 53 HE2 TYR 53 4.508 12.561 -14.564 444 HH TYR 53 HH TYR 53 2.782 11.384 -11.944 445 H ASP 54 H ASP 54 7.181 8.186 -18.333 446 HA ASP 54 HA ASP 54 8.617 5.658 -18.757 447 1HB ASP 54 1HB ASP 54 7.099 7.365 -20.277 448 2HB ASP 54 2HB ASP 54 8.731 7.799 -20.787 449 H SER 55 H SER 55 9.456 8.767 -17.622 450 HA SER 55 HA SER 55 12.341 8.118 -17.929 451 1HB SER 55 1HB SER 55 11.714 10.912 -18.554 452 2HB SER 55 2HB SER 55 12.736 9.775 -19.428 453 HG SER 55 HG SER 55 10.622 10.573 -20.387 454 H GLU 56 H GLU 56 13.643 9.185 -16.340 455 HA GLU 56 HA GLU 56 12.335 9.829 -13.855 456 1HB GLU 56 1HB GLU 56 15.127 10.025 -14.982 457 2HB GLU 56 2HB GLU 56 14.769 10.588 -13.349 458 1HG GLU 56 1HG GLU 56 14.138 8.435 -12.615 459 2HG GLU 56 2HG GLU 56 13.932 7.839 -14.261 460 H TRP 57 H TRP 57 14.261 11.916 -16.065 461 HA TRP 57 HA TRP 57 13.768 14.385 -14.797 462 1HB TRP 57 1HB TRP 57 14.095 15.249 -17.206 463 2HB TRP 57 2HB TRP 57 15.377 14.234 -16.548 464 HD1 TRP 57 HD1 TRP 57 12.316 14.023 -18.871 465 HE1 TRP 57 HE1 TRP 57 12.665 12.054 -20.497 466 HE3 TRP 57 HE3 TRP 57 16.648 12.081 -16.985 467 HZ2 TRP 57 HZ2 TRP 57 14.536 9.932 -20.939 468 HZ3 TRP 57 HZ3 TRP 57 17.692 10.088 -18.028 469 HH2 TRP 57 HH2 TRP 57 16.642 9.013 -20.000 470 H GLN 58 H GLN 58 11.759 12.598 -17.120 471 HA GLN 58 HA GLN 58 9.817 14.586 -17.682 472 1HB GLN 58 1HB GLN 58 10.123 12.343 -18.767 473 2HB GLN 58 2HB GLN 58 9.431 11.597 -17.326 474 1HG GLN 58 1HG GLN 58 7.356 12.910 -17.652 475 2HG GLN 58 2HG GLN 58 8.044 13.616 -19.115 476 1HE2 GLN 58 1HE2 GLN 58 6.006 12.487 -20.068 477 2HE2 GLN 58 2HE2 GLN 58 6.186 10.871 -20.554 478 H ARG 59 H ARG 59 9.795 12.088 -15.111 479 HA ARG 59 HA ARG 59 7.339 12.821 -13.886 480 1HB ARG 59 1HB ARG 59 8.518 10.759 -13.394 481 2HB ARG 59 2HB ARG 59 9.925 11.650 -12.811 482 1HG ARG 59 1HG ARG 59 7.902 12.700 -11.269 483 2HG ARG 59 2HG ARG 59 7.406 11.016 -11.430 484 1HD ARG 59 1HD ARG 59 8.900 11.371 -9.455 485 2HD ARG 59 2HD ARG 59 9.635 10.278 -10.645 486 HE ARG 59 HE ARG 59 10.262 13.091 -11.127 487 1HH1 ARG 59 1HH2 ARG 59 11.882 10.423 -11.465 488 2HH1 ARG 59 2HH2 ARG 59 13.195 10.747 -10.384 489 1HH2 ARG 59 1HH1 ARG 59 11.620 13.428 -8.850 490 2HH2 ARG 59 2HH1 ARG 59 13.047 12.450 -8.903 491 H ASP 60 H ASP 60 10.622 14.103 -13.463 492 HA ASP 60 HA ASP 60 10.162 15.723 -11.164 493 1HB ASP 60 1HB ASP 60 12.035 15.767 -13.525 494 2HB ASP 60 2HB ASP 60 12.114 17.031 -12.298 495 H GLN 61 H GLN 61 9.783 16.458 -14.642 496 HA GLN 61 HA GLN 61 9.085 19.223 -14.309 497 1HB GLN 61 1HB GLN 61 8.430 17.171 -16.450 498 2HB GLN 61 2HB GLN 61 8.214 18.914 -16.637 499 1HG GLN 61 1HG GLN 61 10.560 19.322 -16.453 500 2HG GLN 61 2HG GLN 61 10.872 17.684 -15.881 501 1HE2 GLN 61 1HE2 GLN 61 11.987 16.632 -17.541 502 2HE2 GLN 61 2HE2 GLN 61 11.537 16.657 -19.178 503 H PHE 62 H PHE 62 7.141 16.242 -14.376 504 HA PHE 62 HA PHE 62 4.550 17.352 -14.531 505 1HB PHE 62 1HB PHE 62 4.820 15.002 -14.675 506 2HB PHE 62 2HB PHE 62 5.755 14.933 -13.180 507 HD1 PHE 62 HD1 PHE 62 2.400 15.116 -14.642 508 HD2 PHE 62 HD2 PHE 62 4.649 15.163 -10.981 509 HE1 PHE 62 HE1 PHE 62 0.315 14.727 -13.355 510 HE2 PHE 62 HE2 PHE 62 2.565 14.780 -9.696 511 HZ PHE 62 HZ PHE 62 0.398 14.559 -10.882 512 H LEU 63 H LEU 63 6.136 16.312 -11.485 513 HA LEU 63 HA LEU 63 4.314 17.616 -9.735 514 1HB LEU 63 1HB LEU 63 6.127 17.246 -8.083 515 2HB LEU 63 2HB LEU 63 5.912 15.836 -9.121 516 HG LEU 63 HG LEU 63 7.727 17.228 -10.581 517 1HD1 LEU 63 1HD1 LEU 63 8.220 17.872 -7.662 518 2HD1 LEU 63 2HD1 LEU 63 8.023 19.016 -8.991 519 3HD1 LEU 63 3HD1 LEU 63 9.461 17.998 -8.909 520 1HD2 LEU 63 1HD2 LEU 63 7.731 14.970 -8.746 521 2HD2 LEU 63 2HD2 LEU 63 9.300 15.773 -8.770 522 3HD2 LEU 63 3HD2 LEU 63 8.596 15.166 -10.269 523 H SER 64 H SER 64 6.833 18.939 -11.705 524 HA SER 64 HA SER 64 7.246 21.337 -10.054 525 1HB SER 64 1HB SER 64 9.024 21.626 -11.464 526 2HB SER 64 2HB SER 64 8.692 19.958 -11.917 527 HG SER 64 HG SER 64 8.732 21.176 -13.777 528 H GLN 65 H GLN 65 5.097 20.326 -12.603 529 HA GLN 65 HA GLN 65 4.352 23.121 -13.276 530 1HB GLN 65 1HB GLN 65 3.366 20.442 -14.307 531 2HB GLN 65 2HB GLN 65 3.072 22.016 -15.050 532 1HG GLN 65 1HG GLN 65 5.302 22.260 -15.726 533 2HG GLN 65 2HG GLN 65 5.891 21.105 -14.534 534 1HE2 GLN 65 1HE2 GLN 65 5.583 21.362 -17.770 535 2HE2 GLN 65 2HE2 GLN 65 5.243 19.752 -18.181 536 H VAL 66 H VAL 66 2.521 20.132 -12.465 537 HA VAL 66 HA VAL 66 0.239 21.707 -11.517 538 HB VAL 66 HB VAL 66 -0.581 19.363 -10.950 539 1HG1 VAL 66 1HG1 VAL 66 0.446 20.071 -13.704 540 2HG1 VAL 66 2HG1 VAL 66 -1.197 20.228 -13.081 541 3HG1 VAL 66 3HG1 VAL 66 -0.526 18.630 -13.409 542 1HG2 VAL 66 1HG2 VAL 66 2.042 18.713 -10.829 543 2HG2 VAL 66 2HG2 VAL 66 1.704 18.251 -12.498 544 3HG2 VAL 66 3HG2 VAL 66 0.781 17.530 -11.179 545 H LYS 67 H LYS 67 1.806 22.832 -9.888 546 HA LYS 67 HA LYS 67 3.031 21.711 -7.673 547 1HB LYS 67 1HB LYS 67 2.821 24.130 -8.305 548 2HB LYS 67 2HB LYS 67 1.173 24.111 -7.677 549 1HG LYS 67 1HG LYS 67 2.205 24.779 -5.747 550 2HG LYS 67 2HG LYS 67 2.483 23.046 -5.560 551 1HD LYS 67 1HD LYS 67 4.705 23.197 -6.354 552 2HD LYS 67 2HD LYS 67 4.432 24.789 -7.065 553 1HE LYS 67 1HE LYS 67 3.931 24.655 -4.152 554 2HE LYS 67 2HE LYS 67 5.624 24.413 -4.631 555 1HZ LYS 67 1HZ LYS 67 5.436 26.708 -4.591 556 2HZ LYS 67 2HZ LYS 67 3.848 26.701 -5.196 557 3HZ LYS 67 3HZ LYS 67 5.154 26.359 -6.227 558 H ILE 68 H ILE 68 2.269 20.177 -6.263 559 HA ILE 68 HA ILE 68 -0.626 19.865 -5.819 560 HB ILE 68 HB ILE 68 1.418 18.154 -6.153 561 1HG1 ILE 68 1HG1 ILE 68 -0.523 17.210 -4.135 562 2HG1 ILE 68 2HG1 ILE 68 -1.224 17.942 -5.576 563 1HG2 ILE 68 1HG2 ILE 68 2.145 17.213 -4.024 564 2HG2 ILE 68 2HG2 ILE 68 1.151 18.370 -3.139 565 3HG2 ILE 68 3HG2 ILE 68 2.544 18.931 -4.062 566 1HD1 ILE 68 1HD1 ILE 68 -0.181 16.376 -7.017 567 2HD1 ILE 68 2HD1 ILE 68 -0.753 15.404 -5.660 568 3HD1 ILE 68 3HD1 ILE 68 0.948 15.855 -5.767 569 HA PRO 69 HA PRO 69 -0.648 22.444 -2.232 570 1HB PRO 69 1HB PRO 69 -2.692 21.255 -0.858 571 2HB PRO 69 2HB PRO 69 -2.955 22.338 -2.240 572 1HG PRO 69 1HG PRO 69 -3.015 19.369 -2.124 573 2HG PRO 69 2HG PRO 69 -4.041 20.487 -3.037 574 1HD PRO 69 1HD PRO 69 -1.980 19.084 -4.143 575 2HD PRO 69 2HD PRO 69 -2.557 20.644 -4.767 576 H LYS 70 H LYS 70 -0.669 21.992 0.281 577 HA LYS 70 HA LYS 70 1.426 20.011 0.818 578 1HB LYS 70 1HB LYS 70 1.187 22.374 1.761 579 2HB LYS 70 2HB LYS 70 -0.127 21.745 2.755 580 1HG LYS 70 1HG LYS 70 1.661 21.441 4.200 581 2HG LYS 70 2HG LYS 70 1.662 19.887 3.366 582 1HD LYS 70 1HD LYS 70 3.234 21.168 1.662 583 2HD LYS 70 2HD LYS 70 3.535 22.204 3.056 584 1HE LYS 70 1HE LYS 70 4.503 20.468 4.306 585 2HE LYS 70 2HE LYS 70 3.704 19.206 3.347 586 1HZ LYS 70 1HZ LYS 70 5.231 20.899 1.667 587 2HZ LYS 70 2HZ LYS 70 5.370 19.222 1.898 588 3HZ LYS 70 3HZ LYS 70 6.218 20.294 2.907 589 H THR 71 H THR 71 -1.834 19.672 0.461 590 HA THR 71 HA THR 71 -2.388 18.002 2.823 591 HB THR 71 HB THR 71 -4.481 17.598 1.228 592 HG1 THR 71 HG1 THR 71 -4.220 19.994 0.156 593 1HG2 THR 71 1HG2 THR 71 -4.213 20.433 2.123 594 2HG2 THR 71 2HG2 THR 71 -4.048 19.169 3.343 595 3HG2 THR 71 3HG2 THR 71 -5.529 19.289 2.392 596 H ILE 72 H ILE 72 -1.554 17.578 -0.581 597 HA ILE 72 HA ILE 72 -1.810 14.626 -0.373 598 HB ILE 72 HB ILE 72 -1.328 16.660 -2.549 599 1HG1 ILE 72 1HG1 ILE 72 -3.321 15.355 -3.499 600 2HG1 ILE 72 2HG1 ILE 72 -3.418 14.561 -1.926 601 1HG2 ILE 72 1HG2 ILE 72 -0.832 13.686 -2.615 602 2HG2 ILE 72 2HG2 ILE 72 0.176 14.986 -3.251 603 3HG2 ILE 72 3HG2 ILE 72 -1.324 14.552 -4.069 604 1HD1 ILE 72 1HD1 ILE 72 -4.240 16.416 -0.898 605 2HD1 ILE 72 2HD1 ILE 72 -4.682 16.909 -2.534 606 3HD1 ILE 72 3HD1 ILE 72 -3.188 17.502 -1.807 607 H THR 73 H THR 73 -0.040 13.437 0.244 608 HA THR 73 HA THR 73 2.639 14.720 0.239 609 HB THR 73 HB THR 73 1.681 12.045 1.312 610 HG1 THR 73 HG1 THR 73 1.780 13.362 3.322 611 1HG2 THR 73 1HG2 THR 73 4.249 13.430 1.230 612 2HG2 THR 73 2HG2 THR 73 3.891 11.759 1.668 613 3HG2 THR 73 3HG2 THR 73 3.757 13.035 2.877 614 H VAL 74 H VAL 74 4.283 14.030 -1.132 615 HA VAL 74 HA VAL 74 3.524 12.188 -3.313 616 HB VAL 74 HB VAL 74 4.650 14.433 -3.591 617 1HG1 VAL 74 1HG1 VAL 74 6.663 14.886 -2.636 618 2HG1 VAL 74 2HG1 VAL 74 7.290 13.274 -2.981 619 3HG1 VAL 74 3HG1 VAL 74 6.276 13.540 -1.563 620 1HG2 VAL 74 1HG2 VAL 74 5.672 13.701 -5.511 621 2HG2 VAL 74 2HG2 VAL 74 4.907 12.174 -5.068 622 3HG2 VAL 74 3HG2 VAL 74 6.599 12.461 -4.664 623 H SER 75 H SER 75 5.195 10.593 -4.038 624 HA SER 75 HA SER 75 6.865 9.447 -1.852 625 1HB SER 75 1HB SER 75 4.307 8.496 -2.682 626 2HB SER 75 2HB SER 75 5.509 7.330 -3.230 627 HG SER 75 HG SER 75 6.263 7.166 -1.132 628 H THR 76 H THR 76 8.502 7.950 -2.697 629 HA THR 76 HA THR 76 8.848 8.062 -5.671 630 HB THR 76 HB THR 76 11.337 8.341 -5.056 631 HG1 THR 76 HG1 THR 76 11.800 8.689 -3.033 632 1HG2 THR 76 1HG2 THR 76 9.318 10.522 -4.468 633 2HG2 THR 76 2HG2 THR 76 10.059 10.161 -6.028 634 3HG2 THR 76 3HG2 THR 76 11.041 10.804 -4.712 635 H GLY 77 H GLY 77 9.362 6.070 -6.532 636 1HA GLY 77 1HA GLY 77 10.790 4.066 -4.938 637 2HA GLY 77 2HA GLY 77 9.117 3.646 -5.309 638 H PHE 78 H PHE 78 10.251 1.836 -6.523 639 HA PHE 78 HA PHE 78 10.643 2.691 -9.345 640 1HB PHE 78 1HB PHE 78 12.618 1.234 -7.576 641 2HB PHE 78 2HB PHE 78 12.724 1.185 -9.336 642 HD1 PHE 78 HD1 PHE 78 13.746 2.938 -6.447 643 HD2 PHE 78 HD2 PHE 78 12.538 3.560 -10.523 644 HE1 PHE 78 HE1 PHE 78 14.870 5.149 -6.443 645 HE2 PHE 78 HE2 PHE 78 13.662 5.771 -10.519 646 HZ PHE 78 HZ PHE 78 14.829 6.565 -8.479 647 H MET 79 H MET 79 10.283 0.938 -10.847 648 HA MET 79 HA MET 79 9.288 -1.625 -9.672 649 1HB MET 79 1HB MET 79 7.892 0.214 -11.642 650 2HB MET 79 2HB MET 79 7.326 -1.405 -11.229 651 1HG MET 79 1HG MET 79 7.766 0.805 -9.202 652 2HG MET 79 2HG MET 79 6.199 0.412 -9.911 653 1HE MET 79 1HE MET 79 6.392 -3.193 -9.788 654 2HE MET 79 2HE MET 79 5.025 -2.689 -8.796 655 3HE MET 79 3HE MET 79 5.462 -1.767 -10.240 656 H SER 80 H SER 80 9.422 -3.415 -11.167 657 HA SER 80 HA SER 80 10.873 -2.852 -13.728 658 1HB SER 80 1HB SER 80 12.514 -3.513 -12.080 659 2HB SER 80 2HB SER 80 11.502 -4.848 -11.534 660 HG SER 80 HG SER 80 12.585 -4.555 -14.146 661 H ILE 81 H ILE 81 9.122 -3.396 -15.085 662 HA ILE 81 HA ILE 81 7.576 -5.865 -14.586 663 HB ILE 81 HB ILE 81 7.509 -3.826 -16.834 664 1HG1 ILE 81 1HG1 ILE 81 5.554 -3.943 -14.555 665 2HG1 ILE 81 2HG1 ILE 81 7.100 -3.127 -14.324 666 1HG2 ILE 81 1HG2 ILE 81 5.198 -5.521 -15.937 667 2HG2 ILE 81 2HG2 ILE 81 6.408 -6.215 -17.017 668 3HG2 ILE 81 3HG2 ILE 81 5.496 -4.788 -17.513 669 1HD1 ILE 81 1HD1 ILE 81 6.427 -2.041 -16.681 670 2HD1 ILE 81 2HD1 ILE 81 5.893 -1.348 -15.149 671 3HD1 ILE 81 3HD1 ILE 81 4.806 -2.382 -16.076 672 1H MET 1 1H MET 1 14.845 -2.728 -1.073 673 2H MET 1 2H MET 1 15.167 -2.472 0.576 674 3H MET 1 3H MET 1 15.646 -1.318 -0.575 675 HA MET 1 HA MET 1 13.626 -0.641 0.665 676 1HB MET 1 1HB MET 1 13.599 -1.189 -2.315 677 2HB MET 1 2HB MET 1 12.411 -0.152 -1.524 678 1HG MET 1 1HG MET 1 14.350 1.182 -0.583 679 2HG MET 1 2HG MET 1 15.411 0.249 -1.638 680 1HE MET 1 1HE MET 1 15.498 0.053 -3.724 681 2HE MET 1 2HE MET 1 14.154 0.327 -4.829 682 3HE MET 1 3HE MET 1 15.490 1.484 -4.752 683 H THR 2 H THR 2 11.424 -1.112 1.138 684 HA THR 2 HA THR 2 10.598 -3.693 1.679 685 HB THR 2 HB THR 2 8.972 -1.312 0.730 686 HG1 THR 2 HG1 THR 2 9.081 -0.686 2.765 687 1HG2 THR 2 1HG2 THR 2 7.239 -2.762 0.769 688 2HG2 THR 2 2HG2 THR 2 7.437 -2.756 2.521 689 3HG2 THR 2 3HG2 THR 2 8.202 -4.015 1.552 690 HA PRO 3 HA PRO 3 10.643 -5.210 -2.579 691 1HB PRO 3 1HB PRO 3 9.957 -7.767 -1.907 692 2HB PRO 3 2HB PRO 3 11.617 -7.150 -1.800 693 1HG PRO 3 1HG PRO 3 9.697 -7.742 0.335 694 2HG PRO 3 2HG PRO 3 11.461 -7.663 0.388 695 1HD PRO 3 1HD PRO 3 9.618 -5.697 1.273 696 2HD PRO 3 2HD PRO 3 11.385 -5.570 1.209 697 H ILE 4 H ILE 4 8.894 -5.997 -3.966 698 HA ILE 4 HA ILE 4 6.175 -6.092 -2.745 699 HB ILE 4 HB ILE 4 5.425 -4.433 -4.459 700 1HG1 ILE 4 1HG1 ILE 4 7.640 -3.100 -5.285 701 2HG1 ILE 4 2HG1 ILE 4 8.271 -4.746 -5.249 702 1HG2 ILE 4 1HG2 ILE 4 7.738 -3.349 -2.834 703 2HG2 ILE 4 2HG2 ILE 4 6.193 -3.799 -2.116 704 3HG2 ILE 4 3HG2 ILE 4 6.267 -2.503 -3.308 705 1HD1 ILE 4 1HD1 ILE 4 7.153 -3.946 -7.440 706 2HD1 ILE 4 2HD1 ILE 4 5.631 -4.118 -6.564 707 3HD1 ILE 4 3HD1 ILE 4 6.673 -5.520 -6.806 708 H VAL 5 H VAL 5 4.543 -6.808 -4.473 709 HA VAL 5 HA VAL 5 5.779 -8.320 -6.723 710 HB VAL 5 HB VAL 5 5.661 -9.678 -4.571 711 1HG1 VAL 5 1HG1 VAL 5 3.581 -10.283 -3.663 712 2HG1 VAL 5 2HG1 VAL 5 2.707 -9.840 -5.128 713 3HG1 VAL 5 3HG1 VAL 5 3.341 -8.583 -4.066 714 1HG2 VAL 5 1HG2 VAL 5 5.063 -10.365 -7.236 715 2HG2 VAL 5 2HG2 VAL 5 3.856 -11.199 -6.257 716 3HG2 VAL 5 3HG2 VAL 5 5.574 -11.460 -5.951 717 H HIS 6 H HIS 6 4.501 -8.100 -8.523 718 HA HIS 6 HA HIS 6 1.696 -7.120 -8.147 719 1HB HIS 6 1HB HIS 6 3.906 -6.731 -10.096 720 2HB HIS 6 2HB HIS 6 2.279 -6.755 -10.772 721 HD1 HIS 6 HD1 HIS 6 2.664 -4.142 -11.241 722 HD2 HIS 6 HD2 HIS 6 2.463 -5.228 -7.221 723 HE1 HIS 6 HE1 HIS 6 2.276 -2.005 -9.941 724 H LEU 7 H LEU 7 0.105 -8.618 -8.528 725 HA LEU 7 HA LEU 7 0.764 -10.976 -10.264 726 1HB LEU 7 1HB LEU 7 -1.319 -10.680 -8.076 727 2HB LEU 7 2HB LEU 7 -0.825 -12.179 -8.865 728 HG LEU 7 HG LEU 7 1.217 -10.466 -7.468 729 1HD1 LEU 7 1HD1 LEU 7 -0.876 -11.110 -6.010 730 2HD1 LEU 7 2HD1 LEU 7 0.745 -11.373 -5.369 731 3HD1 LEU 7 3HD1 LEU 7 -0.166 -12.724 -6.046 732 1HD2 LEU 7 1HD2 LEU 7 1.833 -13.099 -7.064 733 2HD2 LEU 7 2HD2 LEU 7 2.409 -12.154 -8.437 734 3HD2 LEU 7 3HD2 LEU 7 0.989 -13.186 -8.610 735 H LYS 8 H LYS 8 -0.759 -11.546 -11.890 736 HA LYS 8 HA LYS 8 -3.157 -9.785 -12.186 737 1HB LYS 8 1HB LYS 8 -1.410 -8.748 -13.486 738 2HB LYS 8 2HB LYS 8 -0.923 -10.300 -14.167 739 1HG LYS 8 1HG LYS 8 -2.960 -10.488 -15.423 740 2HG LYS 8 2HG LYS 8 -3.679 -9.118 -14.575 741 1HD LYS 8 1HD LYS 8 -2.864 -8.478 -16.831 742 2HD LYS 8 2HD LYS 8 -2.010 -7.609 -15.556 743 1HE LYS 8 1HE LYS 8 -0.208 -9.407 -15.683 744 2HE LYS 8 2HE LYS 8 -1.009 -9.977 -17.161 745 1HZ LYS 8 1HZ LYS 8 0.384 -8.397 -18.031 746 2HZ LYS 8 2HZ LYS 8 0.331 -7.415 -16.647 747 3HZ LYS 8 3HZ LYS 8 -0.983 -7.441 -17.724 748 H GLY 9 H GLY 9 -4.671 -10.673 -13.861 749 1HA GLY 9 1HA GLY 9 -4.663 -12.995 -15.264 750 2HA GLY 9 2HA GLY 9 -4.847 -13.599 -13.615 751 H ASP 10 H ASP 10 -6.985 -14.353 -14.626 752 HA ASP 10 HA ASP 10 -9.039 -12.483 -15.340 753 1HB ASP 10 1HB ASP 10 -8.860 -15.338 -14.419 754 2HB ASP 10 2HB ASP 10 -10.446 -14.580 -14.564 755 H ALA 11 H ALA 11 -10.596 -11.455 -14.047 756 HA ALA 11 HA ALA 11 -10.029 -10.626 -11.438 757 1HB ALA 11 1HB ALA 11 -12.817 -11.134 -12.500 758 2HB ALA 11 2HB ALA 11 -12.279 -9.825 -11.447 759 3HB ALA 11 3HB ALA 11 -11.791 -9.850 -13.141 760 H ASN 12 H ASN 12 -12.662 -12.956 -12.116 761 HA ASN 12 HA ASN 12 -13.120 -13.928 -9.567 762 1HB ASN 12 1HB ASN 12 -12.944 -15.529 -12.142 763 2HB ASN 12 2HB ASN 12 -13.895 -15.961 -10.719 764 1HD2 ASN 12 1HD2 ASN 12 -14.629 -13.057 -10.248 765 2HD2 ASN 12 2HD2 ASN 12 -15.809 -12.711 -11.417 766 H THR 13 H THR 13 -10.571 -15.054 -11.810 767 HA THR 13 HA THR 13 -9.517 -17.158 -10.227 768 HB THR 13 HB THR 13 -8.352 -15.215 -12.232 769 HG1 THR 13 HG1 THR 13 -9.928 -17.080 -12.602 770 1HG2 THR 13 1HG2 THR 13 -6.297 -15.822 -11.530 771 2HG2 THR 13 2HG2 THR 13 -6.671 -17.436 -12.134 772 3HG2 THR 13 3HG2 THR 13 -6.957 -17.041 -10.439 773 H LEU 14 H LEU 14 -9.123 -13.671 -9.971 774 HA LEU 14 HA LEU 14 -6.851 -13.763 -8.149 775 1HB LEU 14 1HB LEU 14 -8.882 -11.685 -9.002 776 2HB LEU 14 2HB LEU 14 -7.573 -11.320 -7.876 777 HG LEU 14 HG LEU 14 -6.939 -12.660 -10.488 778 1HD1 LEU 14 1HD1 LEU 14 -8.093 -10.860 -11.415 779 2HD1 LEU 14 2HD1 LEU 14 -6.484 -10.163 -11.217 780 3HD1 LEU 14 3HD1 LEU 14 -7.752 -9.805 -10.044 781 1HD2 LEU 14 1HD2 LEU 14 -5.194 -10.543 -9.536 782 2HD2 LEU 14 2HD2 LEU 14 -4.825 -12.245 -9.815 783 3HD2 LEU 14 3HD2 LEU 14 -5.492 -11.729 -8.265 784 H LYS 15 H LYS 15 -10.365 -13.741 -7.830 785 HA LYS 15 HA LYS 15 -10.604 -13.007 -5.091 786 1HB LYS 15 1HB LYS 15 -12.434 -13.213 -6.762 787 2HB LYS 15 2HB LYS 15 -12.224 -14.965 -6.753 788 1HG LYS 15 1HG LYS 15 -12.647 -14.894 -4.250 789 2HG LYS 15 2HG LYS 15 -13.121 -13.208 -4.457 790 1HD LYS 15 1HD LYS 15 -14.374 -15.532 -5.946 791 2HD LYS 15 2HD LYS 15 -15.070 -14.773 -4.514 792 1HE LYS 15 1HE LYS 15 -15.758 -12.923 -5.680 793 2HE LYS 15 2HE LYS 15 -14.308 -12.912 -6.704 794 1HZ LYS 15 1HZ LYS 15 -15.294 -15.139 -7.561 795 2HZ LYS 15 2HZ LYS 15 -15.891 -13.670 -8.171 796 3HZ LYS 15 3HZ LYS 15 -16.761 -14.515 -6.982 797 H CYS 16 H CYS 16 -9.858 -16.115 -6.627 798 HA CYS 16 HA CYS 16 -10.091 -17.725 -4.241 799 1HB CYS 16 1HB CYS 16 -10.213 -18.724 -6.420 800 2HB CYS 16 2HB CYS 16 -8.676 -18.006 -6.904 801 HG CYS 16 HG CYS 16 -8.701 -20.659 -5.904 802 H LEU 17 H LEU 17 -7.392 -15.972 -5.762 803 HA LEU 17 HA LEU 17 -5.252 -17.026 -4.221 804 1HB LEU 17 1HB LEU 17 -5.707 -14.229 -5.314 805 2HB LEU 17 2HB LEU 17 -4.141 -14.915 -4.882 806 HG LEU 17 HG LEU 17 -5.994 -15.770 -7.113 807 1HD1 LEU 17 1HD1 LEU 17 -4.163 -15.236 -8.531 808 2HD1 LEU 17 2HD1 LEU 17 -3.027 -15.204 -7.183 809 3HD1 LEU 17 3HD1 LEU 17 -4.222 -13.919 -7.360 810 1HD2 LEU 17 1HD2 LEU 17 -3.697 -17.248 -5.812 811 2HD2 LEU 17 2HD2 LEU 17 -4.197 -17.576 -7.471 812 3HD2 LEU 17 3HD2 LEU 17 -5.324 -17.844 -6.142 813 H ARG 18 H ARG 18 -7.282 -14.143 -3.589 814 HA ARG 18 HA ARG 18 -6.141 -13.196 -1.229 815 1HB ARG 18 1HB ARG 18 -8.245 -12.516 -2.655 816 2HB ARG 18 2HB ARG 18 -9.121 -13.499 -1.481 817 1HG ARG 18 1HG ARG 18 -8.180 -12.168 0.361 818 2HG ARG 18 2HG ARG 18 -7.269 -11.196 -0.797 819 1HD ARG 18 1HD ARG 18 -9.153 -9.846 -0.520 820 2HD ARG 18 2HD ARG 18 -9.703 -10.861 -1.869 821 HE ARG 18 HE ARG 18 -10.222 -11.776 0.919 822 1HH1 ARG 18 1HH1 ARG 18 -11.160 -11.994 -2.275 823 2HH1 ARG 18 2HH1 ARG 18 -12.860 -11.859 -1.980 824 1HH2 ARG 18 1HH2 ARG 18 -12.484 -11.031 1.367 825 2HH2 ARG 18 2HH2 ARG 18 -13.610 -11.315 0.082 826 H TYR 19 H TYR 19 -8.167 -16.069 -1.653 827 HA TYR 19 HA TYR 19 -8.702 -16.591 1.114 828 1HB TYR 19 1HB TYR 19 -9.964 -17.680 -0.606 829 2HB TYR 19 2HB TYR 19 -8.503 -18.287 -1.385 830 HD1 TYR 19 HD1 TYR 19 -11.058 -18.957 1.050 831 HD2 TYR 19 HD2 TYR 19 -7.025 -19.932 -0.068 832 HE1 TYR 19 HE1 TYR 19 -11.172 -21.017 2.430 833 HE2 TYR 19 HE2 TYR 19 -7.140 -21.990 1.313 834 HH TYR 19 HH TYR 19 -10.152 -23.005 2.850 835 H ARG 20 H ARG 20 -6.004 -17.526 -1.015 836 HA ARG 20 HA ARG 20 -4.719 -19.286 0.884 837 1HB ARG 20 1HB ARG 20 -4.151 -17.957 -1.713 838 2HB ARG 20 2HB ARG 20 -2.741 -18.454 -0.778 839 1HG ARG 20 1HG ARG 20 -3.377 -20.724 -0.793 840 2HG ARG 20 2HG ARG 20 -5.045 -20.346 -1.223 841 1HD ARG 20 1HD ARG 20 -4.568 -20.235 -3.458 842 2HD ARG 20 2HD ARG 20 -3.012 -19.426 -3.179 843 HE ARG 20 HE ARG 20 -2.363 -21.825 -2.241 844 1HH1 ARG 20 1HH1 ARG 20 -3.141 -20.748 -5.295 845 2HH1 ARG 20 2HH1 ARG 20 -3.345 -22.316 -6.002 846 1HH2 ARG 20 1HH2 ARG 20 -3.151 -23.997 -2.977 847 2HH2 ARG 20 2HH2 ARG 20 -3.350 -24.155 -4.690 848 H PHE 21 H PHE 21 -4.518 -15.809 0.232 849 HA PHE 21 HA PHE 21 -2.158 -15.271 1.783 850 1HB PHE 21 1HB PHE 21 -4.579 -13.578 1.078 851 2HB PHE 21 2HB PHE 21 -3.049 -12.942 1.680 852 HD1 PHE 21 HD1 PHE 21 -2.083 -15.700 -0.143 853 HD2 PHE 21 HD2 PHE 21 -3.709 -11.767 -0.752 854 HE1 PHE 21 HE1 PHE 21 -1.179 -15.683 -2.452 855 HE2 PHE 21 HE2 PHE 21 -2.802 -11.753 -3.061 856 HZ PHE 21 HZ PHE 21 -1.538 -13.710 -3.910 857 H LYS 22 H LYS 22 -5.576 -15.600 2.638 858 HA LYS 22 HA LYS 22 -5.471 -14.431 5.249 859 1HB LYS 22 1HB LYS 22 -7.171 -16.481 3.835 860 2HB LYS 22 2HB LYS 22 -7.474 -16.084 5.527 861 1HG LYS 22 1HG LYS 22 -7.314 -14.019 3.315 862 2HG LYS 22 2HG LYS 22 -8.825 -14.711 3.905 863 1HD LYS 22 1HD LYS 22 -8.770 -13.510 5.839 864 2HD LYS 22 2HD LYS 22 -7.024 -13.690 6.013 865 1HE LYS 22 1HE LYS 22 -7.851 -11.307 5.540 866 2HE LYS 22 2HE LYS 22 -6.607 -11.912 4.428 867 1HZ LYS 22 1HZ LYS 22 -8.869 -10.934 3.533 868 2HZ LYS 22 2HZ LYS 22 -9.405 -12.522 3.822 869 3HZ LYS 22 3HZ LYS 22 -8.105 -12.240 2.764 870 H LYS 23 H LYS 23 -4.166 -17.383 4.022 871 HA LYS 23 HA LYS 23 -4.186 -18.888 6.513 872 1HB LYS 23 1HB LYS 23 -2.556 -19.079 3.957 873 2HB LYS 23 2HB LYS 23 -2.599 -20.320 5.210 874 1HG LYS 23 1HG LYS 23 -5.193 -19.342 4.076 875 2HG LYS 23 2HG LYS 23 -4.224 -20.464 3.122 876 1HD LYS 23 1HD LYS 23 -4.369 -22.164 4.735 877 2HD LYS 23 2HD LYS 23 -4.797 -21.036 6.022 878 1HE LYS 23 1HE LYS 23 -6.736 -20.934 3.844 879 2HE LYS 23 2HE LYS 23 -6.602 -22.565 4.530 880 1HZ LYS 23 1HZ LYS 23 -8.092 -21.431 5.929 881 2HZ LYS 23 2HZ LYS 23 -7.144 -20.023 5.953 882 3HZ LYS 23 3HZ LYS 23 -6.619 -21.418 6.767 883 H HIS 24 H HIS 24 -1.810 -16.847 4.809 884 HA HIS 24 HA HIS 24 0.107 -17.128 7.063 885 1HB HIS 24 1HB HIS 24 0.440 -15.446 4.581 886 2HB HIS 24 2HB HIS 24 1.679 -16.277 5.518 887 HD1 HIS 24 HD1 HIS 24 0.433 -19.097 5.654 888 HD2 HIS 24 HD2 HIS 24 0.600 -16.817 2.167 889 HE1 HIS 24 HE1 HIS 24 0.270 -20.728 3.722 890 H CYS 25 H CYS 25 -1.509 -15.926 8.479 891 HA CYS 25 HA CYS 25 -2.367 -13.266 8.060 892 1HB CYS 25 1HB CYS 25 -2.514 -13.285 10.573 893 2HB CYS 25 2HB CYS 25 -3.217 -14.707 9.805 894 HG CYS 25 HG CYS 25 -1.333 -15.091 11.871 895 H THR 26 H THR 26 0.876 -14.293 8.392 896 HA THR 26 HA THR 26 1.675 -11.475 8.994 897 HB THR 26 HB THR 26 1.832 -12.536 11.108 898 HG1 THR 26 HG1 THR 26 4.066 -12.688 11.419 899 1HG2 THR 26 1HG2 THR 26 1.489 -14.800 10.811 900 2HG2 THR 26 2HG2 THR 26 3.227 -14.804 11.110 901 3HG2 THR 26 3HG2 THR 26 2.616 -14.901 9.458 902 H LEU 27 H LEU 27 1.695 -13.126 6.492 903 HA LEU 27 HA LEU 27 4.582 -13.643 6.048 904 1HB LEU 27 1HB LEU 27 2.026 -14.498 4.997 905 2HB LEU 27 2HB LEU 27 3.075 -13.967 3.684 906 HG LEU 27 HG LEU 27 3.693 -16.059 5.785 907 1HD1 LEU 27 1HD1 LEU 27 2.629 -16.120 3.116 908 2HD1 LEU 27 2HD1 LEU 27 2.958 -17.474 4.198 909 3HD1 LEU 27 3HD1 LEU 27 4.219 -16.884 3.115 910 1HD2 LEU 27 1HD2 LEU 27 5.747 -16.002 3.881 911 2HD2 LEU 27 2HD2 LEU 27 5.857 -15.441 5.551 912 3HD2 LEU 27 3HD2 LEU 27 5.456 -14.305 4.262 913 H TYR 28 H TYR 28 2.023 -11.396 5.026 914 HA TYR 28 HA TYR 28 4.031 -9.891 3.401 915 1HB TYR 28 1HB TYR 28 1.886 -8.858 2.482 916 2HB TYR 28 2HB TYR 28 2.085 -10.582 2.167 917 HD1 TYR 28 HD1 TYR 28 0.657 -12.230 3.213 918 HD2 TYR 28 HD2 TYR 28 0.336 -8.072 4.250 919 HE1 TYR 28 HE1 TYR 28 -1.474 -12.690 4.400 920 HE2 TYR 28 HE2 TYR 28 -1.794 -8.533 5.434 921 HH TYR 28 HH TYR 28 -3.024 -11.849 5.780 922 H THR 29 H THR 29 3.654 -7.432 3.495 923 HA THR 29 HA THR 29 3.394 -6.629 6.353 924 HB THR 29 HB THR 29 4.588 -5.350 3.878 925 HG1 THR 29 HG1 THR 29 5.563 -7.185 5.167 926 1HG2 THR 29 1HG2 THR 29 4.884 -3.399 4.998 927 2HG2 THR 29 2HG2 THR 29 5.234 -4.221 6.518 928 3HG2 THR 29 3HG2 THR 29 3.562 -3.968 6.019 929 H ALA 30 H ALA 30 2.049 -5.907 3.136 930 HA ALA 30 HA ALA 30 -0.333 -4.727 4.402 931 1HB ALA 30 1HB ALA 30 0.317 -2.576 4.207 932 2HB ALA 30 2HB ALA 30 1.909 -3.142 3.702 933 3HB ALA 30 3HB ALA 30 0.669 -2.807 2.494 934 H VAL 31 H VAL 31 -1.953 -5.627 3.185 935 HA VAL 31 HA VAL 31 -1.453 -6.346 0.353 936 HB VAL 31 HB VAL 31 -2.516 -7.969 1.820 937 1HG1 VAL 31 1HG1 VAL 31 -3.891 -5.599 2.776 938 2HG1 VAL 31 2HG1 VAL 31 -3.753 -7.185 3.533 939 3HG1 VAL 31 3HG1 VAL 31 -5.044 -6.871 2.374 940 1HG2 VAL 31 1HG2 VAL 31 -4.198 -8.594 0.363 941 2HG2 VAL 31 2HG2 VAL 31 -3.420 -7.357 -0.624 942 3HG2 VAL 31 3HG2 VAL 31 -4.879 -6.969 0.287 943 H SER 32 H SER 32 -1.641 -4.522 -0.961 944 HA SER 32 HA SER 32 -3.428 -2.318 -0.448 945 1HB SER 32 1HB SER 32 -2.862 -2.038 -3.025 946 2HB SER 32 2HB SER 32 -1.608 -1.817 -1.809 947 HG SER 32 HG SER 32 -0.649 -3.313 -2.956 948 H SER 33 H SER 33 -5.386 -1.784 -1.633 949 HA SER 33 HA SER 33 -7.247 -3.919 -1.974 950 1HB SER 33 1HB SER 33 -8.553 -2.037 -3.129 951 2HB SER 33 2HB SER 33 -7.993 -1.697 -1.494 952 HG SER 33 HG SER 33 -7.464 -0.370 -3.717 953 H THR 34 H THR 34 -8.350 -4.465 -4.070 954 HA THR 34 HA THR 34 -6.475 -5.328 -6.079 955 HB THR 34 HB THR 34 -9.484 -5.131 -5.855 956 HG1 THR 34 HG1 THR 34 -9.106 -6.898 -4.825 957 1HG2 THR 34 1HG2 THR 34 -9.658 -5.457 -8.071 958 2HG2 THR 34 2HG2 THR 34 -8.792 -6.980 -7.873 959 3HG2 THR 34 3HG2 THR 34 -7.903 -5.502 -8.239 960 H TRP 35 H TRP 35 -5.625 -4.098 -7.744 961 HA TRP 35 HA TRP 35 -7.305 -1.951 -8.938 962 1HB TRP 35 1HB TRP 35 -5.661 -0.286 -8.524 963 2HB TRP 35 2HB TRP 35 -5.753 -1.180 -7.008 964 HD1 TRP 35 HD1 TRP 35 -3.672 -2.560 -6.264 965 HE1 TRP 35 HE1 TRP 35 -1.266 -2.770 -7.164 966 HE3 TRP 35 HE3 TRP 35 -4.226 -0.275 -10.797 967 HZ2 TRP 35 HZ2 TRP 35 0.228 -2.060 -9.502 968 HZ3 TRP 35 HZ3 TRP 35 -2.299 -0.056 -12.341 969 HH2 TRP 35 HH2 TRP 35 -0.075 -0.945 -11.700 970 H HIS 36 H HIS 36 -6.044 -1.069 -10.963 971 HA HIS 36 HA HIS 36 -4.090 -2.915 -12.150 972 1HB HIS 36 1HB HIS 36 -5.767 -3.417 -14.042 973 2HB HIS 36 2HB HIS 36 -6.043 -4.231 -12.502 974 HD1 HIS 36 HD1 HIS 36 -7.370 -1.438 -14.652 975 HD2 HIS 36 HD2 HIS 36 -8.371 -3.407 -11.116 976 HE1 HIS 36 HE1 HIS 36 -9.706 -0.672 -14.040 977 H TRP 37 H TRP 37 -4.097 -2.278 -14.719 978 HA TRP 37 HA TRP 37 -3.464 0.578 -14.779 979 1HB TRP 37 1HB TRP 37 -3.457 -1.663 -16.825 980 2HB TRP 37 2HB TRP 37 -2.847 -0.041 -17.152 981 HD1 TRP 37 HD1 TRP 37 -1.623 -3.276 -16.150 982 HE1 TRP 37 HE1 TRP 37 0.626 -3.111 -14.898 983 HE3 TRP 37 HE3 TRP 37 -1.569 1.719 -15.082 984 HZ2 TRP 37 HZ2 TRP 37 2.234 -1.125 -13.616 985 HZ3 TRP 37 HZ3 TRP 37 0.331 2.719 -13.845 986 HH2 TRP 37 HH2 TRP 37 2.231 1.305 -13.111 987 H THR 38 H THR 38 -4.481 2.102 -16.267 988 HA THR 38 HA THR 38 -7.127 1.288 -17.381 989 HB THR 38 HB THR 38 -7.841 3.613 -16.301 990 HG1 THR 38 HG1 THR 38 -6.335 2.930 -14.154 991 1HG2 THR 38 1HG2 THR 38 -8.941 2.391 -14.653 992 2HG2 THR 38 2HG2 THR 38 -7.551 1.346 -14.358 993 3HG2 THR 38 3HG2 THR 38 -8.534 1.120 -15.805 994 H GLY 39 H GLY 39 -7.970 3.817 -18.180 995 1HA GLY 39 1HA GLY 39 -6.839 5.825 -19.285 996 2HA GLY 39 2HA GLY 39 -5.780 4.637 -20.045 997 H HIS 40 H HIS 40 -6.364 4.120 -22.089 998 HA HIS 40 HA HIS 40 -8.618 5.030 -23.470 999 1HB HIS 40 1HB HIS 40 -7.055 2.452 -23.832 1000 2HB HIS 40 2HB HIS 40 -8.035 3.231 -25.074 1001 HD1 HIS 40 HD1 HIS 40 -4.656 3.136 -23.792 1002 HD2 HIS 40 HD2 HIS 40 -7.044 6.038 -25.597 1003 HE1 HIS 40 HE1 HIS 40 -3.085 4.939 -24.622 1004 H ASN 41 H ASN 41 -8.373 2.317 -21.264 1005 HA ASN 41 HA ASN 41 -11.280 1.757 -21.729 1006 1HB ASN 41 1HB ASN 41 -9.796 0.103 -22.854 1007 2HB ASN 41 2HB ASN 41 -9.039 -0.247 -21.299 1008 1HD2 ASN 41 1HD2 ASN 41 -12.496 0.202 -22.244 1009 2HD2 ASN 41 2HD2 ASN 41 -13.015 -1.278 -21.595 1010 H VAL 42 H VAL 42 -11.301 3.254 -19.740 1011 HA VAL 42 HA VAL 42 -10.167 2.663 -17.238 1012 HB VAL 42 HB VAL 42 -12.154 3.901 -16.375 1013 1HG1 VAL 42 1HG1 VAL 42 -11.795 5.932 -17.681 1014 2HG1 VAL 42 2HG1 VAL 42 -11.130 4.990 -19.015 1015 3HG1 VAL 42 3HG1 VAL 42 -10.258 5.090 -17.485 1016 1HG2 VAL 42 1HG2 VAL 42 -13.677 2.669 -18.093 1017 2HG2 VAL 42 2HG2 VAL 42 -13.182 3.940 -19.211 1018 3HG2 VAL 42 3HG2 VAL 42 -14.034 4.356 -17.725 1019 H LYS 43 H LYS 43 -12.709 0.995 -18.959 1020 HA LYS 43 HA LYS 43 -14.033 -0.340 -16.823 1021 1HB LYS 43 1HB LYS 43 -13.532 -0.752 -19.739 1022 2HB LYS 43 2HB LYS 43 -14.171 -2.121 -18.831 1023 1HG LYS 43 1HG LYS 43 -15.884 -0.396 -17.891 1024 2HG LYS 43 2HG LYS 43 -15.410 0.585 -19.279 1025 1HD LYS 43 1HD LYS 43 -15.789 -1.731 -20.562 1026 2HD LYS 43 2HD LYS 43 -16.884 -2.010 -19.208 1027 1HE LYS 43 1HE LYS 43 -18.422 -0.738 -20.280 1028 2HE LYS 43 2HE LYS 43 -17.346 0.658 -20.068 1029 1HZ LYS 43 1HZ LYS 43 -17.856 0.110 -22.436 1030 2HZ LYS 43 2HZ LYS 43 -17.020 -1.354 -22.227 1031 3HZ LYS 43 3HZ LYS 43 -16.202 0.126 -22.065 1032 H HIS 44 H HIS 44 -13.762 -2.734 -16.323 1033 HA HIS 44 HA HIS 44 -11.350 -3.414 -15.144 1034 1HB HIS 44 1HB HIS 44 -13.716 -4.811 -16.222 1035 2HB HIS 44 2HB HIS 44 -12.290 -5.835 -16.058 1036 HD1 HIS 44 HD1 HIS 44 -15.030 -5.592 -14.196 1037 HD2 HIS 44 HD2 HIS 44 -11.128 -4.489 -13.232 1038 HE1 HIS 44 HE1 HIS 44 -14.893 -5.582 -11.667 1039 H LYS 45 H LYS 45 -9.351 -3.319 -16.126 1040 HA LYS 45 HA LYS 45 -9.098 -4.383 -18.918 1041 1HB LYS 45 1HB LYS 45 -8.305 -1.986 -17.630 1042 2HB LYS 45 2HB LYS 45 -6.825 -2.892 -17.950 1043 1HG LYS 45 1HG LYS 45 -7.809 -3.266 -20.318 1044 2HG LYS 45 2HG LYS 45 -8.905 -1.943 -19.915 1045 1HD LYS 45 1HD LYS 45 -7.280 -0.502 -20.508 1046 2HD LYS 45 2HD LYS 45 -6.345 -1.072 -19.124 1047 1HE LYS 45 1HE LYS 45 -4.823 -1.675 -20.736 1048 2HE LYS 45 2HE LYS 45 -5.885 -3.084 -20.931 1049 1HZ LYS 45 1HZ LYS 45 -5.704 -2.093 -23.057 1050 2HZ LYS 45 2HZ LYS 45 -5.963 -0.532 -22.442 1051 3HZ LYS 45 3HZ LYS 45 -7.234 -1.659 -22.471 1052 H SER 46 H SER 46 -7.132 -4.101 -15.924 1053 HA SER 46 HA SER 46 -6.313 -6.944 -16.260 1054 1HB SER 46 1HB SER 46 -4.612 -4.478 -16.441 1055 2HB SER 46 2HB SER 46 -3.912 -5.943 -15.760 1056 HG SER 46 HG SER 46 -3.682 -5.723 -18.076 1057 H ALA 47 H ALA 47 -7.923 -6.653 -14.283 1058 HA ALA 47 HA ALA 47 -7.359 -5.381 -11.883 1059 1HB ALA 47 1HB ALA 47 -8.992 -7.439 -12.825 1060 2HB ALA 47 2HB ALA 47 -8.083 -8.191 -11.515 1061 3HB ALA 47 3HB ALA 47 -9.041 -6.745 -11.205 1062 H ILE 48 H ILE 48 -5.653 -5.460 -10.456 1063 HA ILE 48 HA ILE 48 -3.971 -7.927 -10.363 1064 HB ILE 48 HB ILE 48 -3.144 -5.086 -10.988 1065 1HG1 ILE 48 1HG1 ILE 48 -2.268 -7.667 -12.286 1066 2HG1 ILE 48 2HG1 ILE 48 -3.767 -6.867 -12.756 1067 1HG2 ILE 48 1HG2 ILE 48 -1.733 -7.073 -9.398 1068 2HG2 ILE 48 2HG2 ILE 48 -1.297 -5.398 -9.729 1069 3HG2 ILE 48 3HG2 ILE 48 -0.835 -6.668 -10.860 1070 1HD1 ILE 48 1HD1 ILE 48 -1.112 -6.248 -13.598 1071 2HD1 ILE 48 2HD1 ILE 48 -1.699 -4.892 -12.635 1072 3HD1 ILE 48 3HD1 ILE 48 -2.610 -5.432 -14.045 1073 H VAL 49 H VAL 49 -3.136 -8.330 -8.312 1074 HA VAL 49 HA VAL 49 -3.882 -6.375 -6.165 1075 HB VAL 49 HB VAL 49 -3.283 -9.329 -5.886 1076 1HG1 VAL 49 1HG1 VAL 49 -4.465 -9.139 -3.820 1077 2HG1 VAL 49 2HG1 VAL 49 -5.103 -7.551 -4.249 1078 3HG1 VAL 49 3HG1 VAL 49 -3.387 -7.743 -3.882 1079 1HG2 VAL 49 1HG2 VAL 49 -5.820 -9.572 -5.946 1080 2HG2 VAL 49 2HG2 VAL 49 -5.059 -9.239 -7.500 1081 3HG2 VAL 49 3HG2 VAL 49 -5.875 -7.945 -6.624 1082 H THR 50 H THR 50 -2.098 -5.269 -5.446 1083 HA THR 50 HA THR 50 0.604 -6.453 -5.773 1084 HB THR 50 HB THR 50 -0.447 -3.743 -4.891 1085 HG1 THR 50 HG1 THR 50 -0.019 -4.906 -7.267 1086 1HG2 THR 50 1HG2 THR 50 2.222 -3.507 -5.693 1087 2HG2 THR 50 2HG2 THR 50 2.191 -4.943 -4.668 1088 3HG2 THR 50 3HG2 THR 50 1.610 -3.400 -4.042 1089 H LEU 51 H LEU 51 1.979 -6.869 -3.971 1090 HA LEU 51 HA LEU 51 0.740 -6.593 -1.263 1091 1HB LEU 51 1HB LEU 51 1.984 -9.024 -2.578 1092 2HB LEU 51 2HB LEU 51 1.646 -8.928 -0.848 1093 HG LEU 51 HG LEU 51 -0.751 -8.152 -1.765 1094 1HD1 LEU 51 1HD1 LEU 51 -0.088 -10.238 -3.809 1095 2HD1 LEU 51 2HD1 LEU 51 0.345 -8.562 -4.147 1096 3HD1 LEU 51 3HD1 LEU 51 -1.338 -8.994 -3.843 1097 1HD2 LEU 51 1HD2 LEU 51 -1.501 -10.232 -1.067 1098 2HD2 LEU 51 2HD2 LEU 51 0.129 -10.256 -0.394 1099 3HD2 LEU 51 3HD2 LEU 51 -0.211 -11.094 -1.908 1100 H THR 52 H THR 52 2.156 -5.706 0.160 1101 HA THR 52 HA THR 52 5.007 -5.401 -0.637 1102 HB THR 52 HB THR 52 4.676 -3.912 1.604 1103 HG1 THR 52 HG1 THR 52 2.170 -3.689 0.373 1104 1HG2 THR 52 1HG2 THR 52 5.419 -2.979 -0.484 1105 2HG2 THR 52 2HG2 THR 52 4.012 -2.046 0.029 1106 3HG2 THR 52 3HG2 THR 52 3.850 -3.266 -1.235 1107 H TYR 53 H TYR 53 6.632 -6.423 0.503 1108 HA TYR 53 HA TYR 53 5.806 -8.116 2.834 1109 1HB TYR 53 1HB TYR 53 8.027 -8.316 0.779 1110 2HB TYR 53 2HB TYR 53 7.877 -9.407 2.157 1111 HD1 TYR 53 HD1 TYR 53 6.256 -8.255 -0.974 1112 HD2 TYR 53 HD2 TYR 53 6.206 -11.135 2.213 1113 HE1 TYR 53 HE1 TYR 53 4.621 -9.626 -2.238 1114 HE2 TYR 53 HE2 TYR 53 4.570 -12.505 0.950 1115 HH TYR 53 HH TYR 53 2.847 -11.352 -1.678 1116 H ASP 54 H ASP 54 7.177 -8.090 4.707 1117 HA ASP 54 HA ASP 54 8.592 -5.550 5.130 1118 1HB ASP 54 1HB ASP 54 7.067 -7.264 6.641 1119 2HB ASP 54 2HB ASP 54 8.696 -7.666 7.182 1120 H SER 55 H SER 55 9.461 -8.660 4.027 1121 HA SER 55 HA SER 55 12.338 -7.987 4.366 1122 1HB SER 55 1HB SER 55 11.719 -10.789 4.972 1123 2HB SER 55 2HB SER 55 12.730 -9.652 5.860 1124 HG SER 55 HG SER 55 10.632 -10.456 6.820 1125 H GLU 56 H GLU 56 13.667 -9.059 2.798 1126 HA GLU 56 HA GLU 56 12.396 -9.705 0.293 1127 1HB GLU 56 1HB GLU 56 15.173 -9.881 1.464 1128 2HB GLU 56 2HB GLU 56 14.845 -10.468 -0.167 1129 1HG GLU 56 1HG GLU 56 14.229 -8.331 -0.946 1130 2HG GLU 56 2HG GLU 56 13.966 -7.715 0.686 1131 H TRP 57 H TRP 57 14.294 -11.771 2.540 1132 HA TRP 57 HA TRP 57 13.829 -14.250 1.282 1133 1HB TRP 57 1HB TRP 57 14.158 -15.095 3.695 1134 2HB TRP 57 2HB TRP 57 15.428 -14.063 3.040 1135 HD1 TRP 57 HD1 TRP 57 12.338 -13.872 5.330 1136 HE1 TRP 57 HE1 TRP 57 12.656 -11.897 6.956 1137 HE3 TRP 57 HE3 TRP 57 16.682 -11.908 3.494 1138 HZ2 TRP 57 HZ2 TRP 57 14.507 -9.768 7.418 1139 HZ3 TRP 57 HZ3 TRP 57 17.700 -9.908 4.545 1140 HH2 TRP 57 HH2 TRP 57 16.619 -8.836 6.503 1141 H GLN 58 H GLN 58 11.787 -12.471 3.587 1142 HA GLN 58 HA GLN 58 9.859 -14.476 4.134 1143 1HB GLN 58 1HB GLN 58 10.135 -12.239 5.228 1144 2HB GLN 58 2HB GLN 58 9.460 -11.487 3.782 1145 1HG GLN 58 1HG GLN 58 7.386 -12.819 4.076 1146 2HG GLN 58 2HG GLN 58 8.057 -13.509 5.555 1147 1HE2 GLN 58 1HE2 GLN 58 6.033 -12.400 6.522 1148 2HE2 GLN 58 2HE2 GLN 58 6.179 -10.770 6.974 1149 H ARG 59 H ARG 59 9.853 -11.997 1.545 1150 HA ARG 59 HA ARG 59 7.405 -12.749 0.310 1151 1HB ARG 59 1HB ARG 59 8.560 -10.685 -0.197 1152 2HB ARG 59 2HB ARG 59 9.989 -11.563 -0.744 1153 1HG ARG 59 1HG ARG 59 8.012 -12.660 -2.313 1154 2HG ARG 59 2HG ARG 59 7.485 -10.983 -2.178 1155 1HD ARG 59 1HD ARG 59 9.015 -11.313 -4.122 1156 2HD ARG 59 2HD ARG 59 9.728 -10.221 -2.918 1157 HE ARG 59 HE ARG 59 10.367 -13.031 -2.439 1158 1HH1 ARG 59 1HH2 ARG 59 11.958 -10.342 -2.087 1159 2HH1 ARG 59 2HH2 ARG 59 13.287 -10.658 -3.151 1160 1HH2 ARG 59 1HH1 ARG 59 11.759 -13.361 -4.692 1161 2HH2 ARG 59 2HH1 ARG 59 13.175 -12.366 -4.626 1162 H ASP 60 H ASP 60 10.702 -14.020 -0.095 1163 HA ASP 60 HA ASP 60 10.250 -15.659 -2.384 1164 1HB ASP 60 1HB ASP 60 12.117 -15.695 -0.016 1165 2HB ASP 60 2HB ASP 60 12.200 -16.959 -1.243 1166 H GLN 61 H GLN 61 9.857 -16.365 1.100 1167 HA GLN 61 HA GLN 61 9.175 -19.136 0.784 1168 1HB GLN 61 1HB GLN 61 8.497 -17.074 2.906 1169 2HB GLN 61 2HB GLN 61 8.291 -18.816 3.104 1170 1HG GLN 61 1HG GLN 61 10.640 -19.212 2.934 1171 2HG GLN 61 2HG GLN 61 10.945 -17.577 2.344 1172 1HE2 GLN 61 1HE2 GLN 61 12.043 -16.489 3.992 1173 2HE2 GLN 61 2HE2 GLN 61 11.595 -16.505 5.629 1174 H PHE 62 H PHE 62 7.214 -16.164 0.808 1175 HA PHE 62 HA PHE 62 4.628 -17.295 0.939 1176 1HB PHE 62 1HB PHE 62 4.879 -14.939 1.078 1177 2HB PHE 62 2HB PHE 62 5.828 -14.870 -0.408 1178 HD1 PHE 62 HD1 PHE 62 2.462 -15.049 1.024 1179 HD2 PHE 62 HD2 PHE 62 4.743 -15.143 -2.616 1180 HE1 PHE 62 HE1 PHE 62 0.389 -14.681 -0.288 1181 HE2 PHE 62 HE2 PHE 62 2.672 -14.781 -3.925 1182 HZ PHE 62 HZ PHE 62 0.493 -14.547 -2.763 1183 H LEU 63 H LEU 63 6.250 -16.258 -2.092 1184 HA LEU 63 HA LEU 63 4.455 -17.579 -3.857 1185 1HB LEU 63 1HB LEU 63 6.279 -17.208 -5.494 1186 2HB LEU 63 2HB LEU 63 6.044 -15.793 -4.466 1187 HG LEU 63 HG LEU 63 7.857 -17.148 -2.981 1188 1HD1 LEU 63 1HD1 LEU 63 8.371 -17.849 -5.884 1189 2HD1 LEU 63 2HD1 LEU 63 8.170 -18.966 -4.534 1190 3HD1 LEU 63 3HD1 LEU 63 9.605 -17.945 -4.628 1191 1HD2 LEU 63 1HD2 LEU 63 7.860 -14.930 -4.868 1192 2HD2 LEU 63 2HD2 LEU 63 9.436 -15.718 -4.802 1193 3HD2 LEU 63 3HD2 LEU 63 8.706 -15.083 -3.328 1194 H SER 64 H SER 64 6.943 -18.883 -1.846 1195 HA SER 64 HA SER 64 7.392 -21.286 -3.482 1196 1HB SER 64 1HB SER 64 9.152 -21.561 -2.048 1197 2HB SER 64 2HB SER 64 8.809 -19.890 -1.610 1198 HG SER 64 HG SER 64 8.837 -21.119 0.255 1199 H GLN 65 H GLN 65 5.218 -20.271 -0.952 1200 HA GLN 65 HA GLN 65 4.484 -23.067 -0.279 1201 1HB GLN 65 1HB GLN 65 3.475 -20.391 0.740 1202 2HB GLN 65 2HB GLN 65 3.184 -21.964 1.484 1203 1HG GLN 65 1HG GLN 65 5.405 -22.191 2.189 1204 2HG GLN 65 2HG GLN 65 6.006 -21.055 0.983 1205 1HE2 GLN 65 1HE2 GLN 65 5.662 -21.267 4.221 1206 2HE2 GLN 65 2HE2 GLN 65 5.330 -19.648 4.605 1207 H VAL 66 H VAL 66 2.623 -20.098 -1.098 1208 HA VAL 66 HA VAL 66 0.372 -21.689 -2.080 1209 HB VAL 66 HB VAL 66 -0.457 -19.360 -2.668 1210 1HG1 VAL 66 1HG1 VAL 66 0.569 -20.020 0.099 1211 2HG1 VAL 66 2HG1 VAL 66 -1.068 -20.214 -0.528 1212 3HG1 VAL 66 3HG1 VAL 66 -0.429 -18.600 -0.218 1213 1HG2 VAL 66 1HG2 VAL 66 2.176 -18.703 -2.765 1214 2HG2 VAL 66 2HG2 VAL 66 1.794 -18.195 -1.120 1215 3HG2 VAL 66 3HG2 VAL 66 0.897 -17.521 -2.482 1216 H LYS 67 H LYS 67 1.953 -22.822 -3.683 1217 HA LYS 67 HA LYS 67 3.211 -21.696 -5.881 1218 1HB LYS 67 1HB LYS 67 3.026 -24.112 -5.249 1219 2HB LYS 67 2HB LYS 67 1.380 -24.116 -5.885 1220 1HG LYS 67 1HG LYS 67 2.427 -24.782 -7.806 1221 2HG LYS 67 2HG LYS 67 2.687 -23.048 -8.002 1222 1HD LYS 67 1HD LYS 67 4.908 -23.170 -7.207 1223 2HD LYS 67 2HD LYS 67 4.652 -24.757 -6.479 1224 1HE LYS 67 1HE LYS 67 4.153 -24.664 -9.395 1225 2HE LYS 67 2HE LYS 67 5.842 -24.395 -8.916 1226 1HZ LYS 67 1HZ LYS 67 5.701 -26.687 -8.917 1227 2HZ LYS 67 2HZ LYS 67 4.101 -26.703 -8.345 1228 3HZ LYS 67 3HZ LYS 67 5.380 -26.328 -7.292 1229 H ILE 68 H ILE 68 2.458 -20.187 -7.321 1230 HA ILE 68 HA ILE 68 -0.431 -19.893 -7.805 1231 HB ILE 68 HB ILE 68 1.598 -18.170 -7.456 1232 1HG1 ILE 68 1HG1 ILE 68 -0.316 -17.242 -9.507 1233 2HG1 ILE 68 2HG1 ILE 68 -1.040 -17.974 -8.077 1234 1HG2 ILE 68 1HG2 ILE 68 2.343 -17.240 -9.585 1235 2HG2 ILE 68 2HG2 ILE 68 1.375 -18.418 -10.470 1236 3HG2 ILE 68 3HG2 ILE 68 2.761 -18.951 -9.520 1237 1HD1 ILE 68 1HD1 ILE 68 -0.013 -16.402 -6.620 1238 2HD1 ILE 68 2HD1 ILE 68 -0.596 -15.440 -7.978 1239 3HD1 ILE 68 3HD1 ILE 68 1.112 -15.864 -7.866 1240 HA PRO 69 HA PRO 69 -0.405 -22.484 -11.382 1241 1HB PRO 69 1HB PRO 69 -2.444 -21.307 -12.773 1242 2HB PRO 69 2HB PRO 69 -2.716 -22.381 -11.387 1243 1HG PRO 69 1HG PRO 69 -2.772 -19.411 -11.521 1244 2HG PRO 69 2HG PRO 69 -3.808 -20.522 -10.610 1245 1HD PRO 69 1HD PRO 69 -1.757 -19.116 -9.493 1246 2HD PRO 69 2HD PRO 69 -2.337 -20.675 -8.869 1247 H LYS 70 H LYS 70 -0.415 -22.037 -13.900 1248 HA LYS 70 HA LYS 70 1.678 -20.047 -14.429 1249 1HB LYS 70 1HB LYS 70 1.459 -22.423 -15.354 1250 2HB LYS 70 2HB LYS 70 0.161 -21.803 -16.375 1251 1HG LYS 70 1HG LYS 70 1.976 -21.513 -17.792 1252 2HG LYS 70 2HG LYS 70 1.955 -19.949 -16.975 1253 1HD LYS 70 1HD LYS 70 3.507 -21.195 -15.229 1254 2HD LYS 70 2HD LYS 70 3.831 -22.257 -16.599 1255 1HE LYS 70 1HE LYS 70 4.811 -20.537 -17.869 1256 2HE LYS 70 2HE LYS 70 4.002 -19.262 -16.936 1257 1HZ LYS 70 1HZ LYS 70 5.525 -20.944 -15.231 1258 2HZ LYS 70 2HZ LYS 70 5.639 -19.265 -15.453 1259 3HZ LYS 70 3HZ LYS 70 6.513 -20.318 -16.458 1260 H THR 71 H THR 71 -1.591 -19.734 -14.110 1261 HA THR 71 HA THR 71 -2.138 -18.089 -16.489 1262 HB THR 71 HB THR 71 -4.246 -17.688 -14.909 1263 HG1 THR 71 HG1 THR 71 -3.868 -20.118 -13.850 1264 1HG2 THR 71 1HG2 THR 71 -3.938 -20.526 -15.790 1265 2HG2 THR 71 2HG2 THR 71 -3.797 -19.261 -17.013 1266 3HG2 THR 71 3HG2 THR 71 -5.273 -19.406 -16.059 1267 H ILE 72 H ILE 72 -1.322 -17.642 -13.092 1268 HA ILE 72 HA ILE 72 -1.597 -14.692 -13.307 1269 HB ILE 72 HB ILE 72 -1.124 -16.722 -11.126 1270 1HG1 ILE 72 1HG1 ILE 72 -3.128 -15.408 -10.196 1271 2HG1 ILE 72 2HG1 ILE 72 -3.221 -14.646 -11.784 1272 1HG2 ILE 72 1HG2 ILE 72 -0.641 -13.747 -11.058 1273 2HG2 ILE 72 2HG2 ILE 72 0.371 -15.042 -10.419 1274 3HG2 ILE 72 3HG2 ILE 72 -1.135 -14.616 -9.606 1275 1HD1 ILE 72 1HD1 ILE 72 -4.028 -16.526 -12.777 1276 2HD1 ILE 72 2HD1 ILE 72 -4.464 -16.995 -11.134 1277 3HD1 ILE 72 3HD1 ILE 72 -2.965 -17.584 -11.851 1278 H THR 73 H THR 73 0.176 -13.492 -13.902 1279 HA THR 73 HA THR 73 2.862 -14.762 -13.860 1280 HB THR 73 HB THR 73 1.903 -12.099 -14.960 1281 HG1 THR 73 HG1 THR 73 2.023 -13.417 -16.960 1282 1HG2 THR 73 1HG2 THR 73 4.477 -13.469 -14.832 1283 2HG2 THR 73 2HG2 THR 73 4.117 -11.802 -15.282 1284 3HG2 THR 73 3HG2 THR 73 4.008 -13.083 -16.488 1285 H VAL 74 H VAL 74 4.489 -14.049 -12.477 1286 HA VAL 74 HA VAL 74 3.690 -12.202 -10.315 1287 HB VAL 74 HB VAL 74 4.828 -14.435 -10.007 1288 1HG1 VAL 74 1HG1 VAL 74 6.867 -14.879 -10.919 1289 2HG1 VAL 74 2HG1 VAL 74 7.462 -13.248 -10.614 1290 3HG1 VAL 74 3HG1 VAL 74 6.462 -13.570 -12.030 1291 1HG2 VAL 74 1HG2 VAL 74 5.799 -13.675 -8.078 1292 2HG2 VAL 74 2HG2 VAL 74 5.066 -12.145 -8.559 1293 3HG2 VAL 74 3HG2 VAL 74 6.762 -12.463 -8.922 1294 H SER 75 H SER 75 5.341 -10.587 -9.587 1295 HA SER 75 HA SER 75 7.019 -9.438 -11.770 1296 1HB SER 75 1HB SER 75 4.446 -8.508 -10.985 1297 2HB SER 75 2HB SER 75 5.622 -7.333 -10.401 1298 HG SER 75 HG SER 75 6.441 -7.182 -12.489 1299 H THR 76 H THR 76 8.638 -7.913 -10.920 1300 HA THR 76 HA THR 76 8.958 -7.996 -7.942 1301 HB THR 76 HB THR 76 11.455 -8.276 -8.524 1302 HG1 THR 76 HG1 THR 76 11.943 -8.643 -10.538 1303 1HG2 THR 76 1HG2 THR 76 9.457 -10.473 -9.129 1304 2HG2 THR 76 2HG2 THR 76 10.153 -10.090 -7.555 1305 3HG2 THR 76 3HG2 THR 76 11.175 -10.739 -8.837 1306 H GLY 77 H GLY 77 9.467 -6.004 -7.089 1307 1HA GLY 77 1HA GLY 77 10.894 -3.997 -8.677 1308 2HA GLY 77 2HA GLY 77 9.217 -3.584 -8.318 1309 H PHE 78 H PHE 78 10.315 -1.767 -7.090 1310 HA PHE 78 HA PHE 78 10.697 -2.620 -4.267 1311 1HB PHE 78 1HB PHE 78 12.679 -1.153 -6.020 1312 2HB PHE 78 2HB PHE 78 12.768 -1.100 -4.258 1313 HD1 PHE 78 HD1 PHE 78 13.816 -2.859 -7.135 1314 HD2 PHE 78 HD2 PHE 78 12.585 -3.469 -3.064 1315 HE1 PHE 78 HE1 PHE 78 14.945 -5.068 -7.124 1316 HE2 PHE 78 HE2 PHE 78 13.717 -5.676 -3.053 1317 HZ PHE 78 HZ PHE 78 14.897 -6.477 -5.083 1318 H MET 79 H MET 79 10.292 -0.876 -2.768 1319 HA MET 79 HA MET 79 9.295 1.677 -3.968 1320 1HB MET 79 1HB MET 79 7.893 -0.178 -2.018 1321 2HB MET 79 2HB MET 79 7.324 1.444 -2.413 1322 1HG MET 79 1HG MET 79 7.779 -0.747 -4.459 1323 2HG MET 79 2HG MET 79 6.208 -0.346 -3.767 1324 1HE MET 79 1HE MET 79 6.398 3.258 -3.883 1325 2HE MET 79 2HE MET 79 5.053 2.749 -4.902 1326 3HE MET 79 3HE MET 79 5.465 1.828 -3.448 1327 H SER 80 H SER 80 9.405 3.477 -2.485 1328 HA SER 80 HA SER 80 10.830 2.943 0.097 1329 1HB SER 80 1HB SER 80 12.489 3.595 -1.535 1330 2HB SER 80 2HB SER 80 11.477 4.916 -2.112 1331 HG SER 80 HG SER 80 12.526 4.665 0.518 1332 H ILE 81 H ILE 81 9.067 3.486 1.427 1333 HA ILE 81 HA ILE 81 7.508 5.939 0.893 1334 HB ILE 81 HB ILE 81 7.429 3.912 3.154 1335 1HG1 ILE 81 1HG1 ILE 81 5.494 4.011 0.856 1336 2HG1 ILE 81 2HG1 ILE 81 7.043 3.195 0.646 1337 1HG2 ILE 81 1HG2 ILE 81 5.131 5.609 2.221 1338 2HG2 ILE 81 2HG2 ILE 81 6.321 6.289 3.331 1339 3HG2 ILE 81 3HG2 ILE 81 5.394 4.864 3.798 1340 1HD1 ILE 81 1HD1 ILE 81 6.349 2.121 3.002 1341 2HD1 ILE 81 2HD1 ILE 81 5.828 1.421 1.469 1342 3HD1 ILE 81 3HD1 ILE 81 4.733 2.460 2.382 Start of MODEL 5 1 1H MET 1 1H MET 1 16.358 1.213 -14.804 2 2H MET 1 2H MET 1 15.377 2.328 -15.628 3 3H MET 1 3H MET 1 15.605 0.767 -16.257 4 HA MET 1 HA MET 1 13.988 -0.115 -14.996 5 1HB MET 1 1HB MET 1 15.440 1.536 -12.933 6 2HB MET 1 2HB MET 1 13.941 0.705 -12.514 7 1HG MET 1 1HG MET 1 14.872 -1.435 -13.053 8 2HG MET 1 2HG MET 1 16.283 -0.701 -13.813 9 1HE MET 1 1HE MET 1 15.059 -1.172 -9.532 10 2HE MET 1 2HE MET 1 14.842 0.510 -10.006 11 3HE MET 1 3HE MET 1 14.078 -0.781 -10.942 12 H THR 2 H THR 2 11.793 0.474 -14.412 13 HA THR 2 HA THR 2 10.994 3.139 -15.385 14 HB THR 2 HB THR 2 8.694 2.052 -14.802 15 HG1 THR 2 HG1 THR 2 8.792 0.167 -13.920 16 1HG2 THR 2 1HG2 THR 2 9.047 2.002 -17.063 17 2HG2 THR 2 2HG2 THR 2 9.246 0.278 -16.753 18 3HG2 THR 2 3HG2 THR 2 10.664 1.317 -16.900 19 HA PRO 3 HA PRO 3 10.681 4.492 -11.171 20 1HB PRO 3 1HB PRO 3 10.207 7.141 -11.679 21 2HB PRO 3 2HB PRO 3 11.816 6.401 -11.810 22 1HG PRO 3 1HG PRO 3 9.838 7.013 -13.955 23 2HG PRO 3 2HG PRO 3 11.594 7.244 -13.944 24 1HD PRO 3 1HD PRO 3 10.438 5.164 -15.201 25 2HD PRO 3 2HD PRO 3 12.026 5.030 -14.418 26 H ILE 4 H ILE 4 9.010 5.617 -9.794 27 HA ILE 4 HA ILE 4 6.288 5.745 -11.010 28 HB ILE 4 HB ILE 4 5.502 4.302 -9.089 29 1HG1 ILE 4 1HG1 ILE 4 8.164 3.146 -8.677 30 2HG1 ILE 4 2HG1 ILE 4 8.047 4.810 -8.103 31 1HG2 ILE 4 1HG2 ILE 4 7.602 2.948 -10.798 32 2HG2 ILE 4 2HG2 ILE 4 6.030 3.450 -11.422 33 3HG2 ILE 4 3HG2 ILE 4 6.125 2.237 -10.146 34 1HD1 ILE 4 1HD1 ILE 4 7.393 3.292 -6.305 35 2HD1 ILE 4 2HD1 ILE 4 6.205 2.520 -7.355 36 3HD1 ILE 4 3HD1 ILE 4 5.978 4.194 -6.851 37 H VAL 5 H VAL 5 4.716 6.435 -9.060 38 HA VAL 5 HA VAL 5 6.095 8.276 -7.174 39 HB VAL 5 HB VAL 5 4.713 8.970 -9.646 40 1HG1 VAL 5 1HG1 VAL 5 3.764 10.337 -7.107 41 2HG1 VAL 5 2HG1 VAL 5 2.777 9.299 -8.138 42 3HG1 VAL 5 3HG1 VAL 5 3.380 10.838 -8.754 43 1HG2 VAL 5 1HG2 VAL 5 5.758 11.195 -9.084 44 2HG2 VAL 5 2HG2 VAL 5 6.895 9.846 -9.081 45 3HG2 VAL 5 3HG2 VAL 5 6.292 10.494 -7.556 46 H HIS 6 H HIS 6 5.087 8.173 -5.201 47 HA HIS 6 HA HIS 6 2.384 6.898 -5.067 48 1HB HIS 6 1HB HIS 6 4.881 6.760 -3.587 49 2HB HIS 6 2HB HIS 6 3.537 7.134 -2.509 50 HD1 HIS 6 HD1 HIS 6 3.543 4.741 -1.478 51 HD2 HIS 6 HD2 HIS 6 2.872 4.799 -5.592 52 HE1 HIS 6 HE1 HIS 6 2.736 2.423 -2.105 53 H LEU 7 H LEU 7 0.705 8.297 -4.701 54 HA LEU 7 HA LEU 7 1.289 10.847 -3.223 55 1HB LEU 7 1HB LEU 7 0.723 10.962 -5.688 56 2HB LEU 7 2HB LEU 7 -0.858 10.288 -5.293 57 HG LEU 7 HG LEU 7 -0.783 12.292 -3.492 58 1HD1 LEU 7 1HD1 LEU 7 1.331 12.849 -5.433 59 2HD1 LEU 7 2HD1 LEU 7 0.984 13.644 -3.897 60 3HD1 LEU 7 3HD1 LEU 7 0.132 14.140 -5.360 61 1HD2 LEU 7 1HD2 LEU 7 -2.103 13.610 -5.144 62 2HD2 LEU 7 2HD2 LEU 7 -2.568 11.909 -5.131 63 3HD2 LEU 7 3HD2 LEU 7 -1.541 12.532 -6.422 64 H LYS 8 H LYS 8 -0.069 11.314 -1.475 65 HA LYS 8 HA LYS 8 -2.483 9.601 -1.071 66 1HB LYS 8 1HB LYS 8 -0.672 8.483 0.080 67 2HB LYS 8 2HB LYS 8 -0.137 9.999 0.807 68 1HG LYS 8 1HG LYS 8 -2.242 10.165 2.061 69 2HG LYS 8 2HG LYS 8 -2.817 8.674 1.312 70 1HD LYS 8 1HD LYS 8 -1.810 7.505 2.948 71 2HD LYS 8 2HD LYS 8 -0.252 8.104 2.377 72 1HE LYS 8 1HE LYS 8 -0.190 8.952 4.534 73 2HE LYS 8 2HE LYS 8 -1.068 10.283 3.756 74 1HZ LYS 8 1HZ LYS 8 -2.368 9.588 5.601 75 2HZ LYS 8 2HZ LYS 8 -2.223 7.949 5.179 76 3HZ LYS 8 3HZ LYS 8 -3.145 9.000 4.213 77 H GLY 9 H GLY 9 -3.836 10.482 0.772 78 1HA GLY 9 1HA GLY 9 -3.643 12.788 2.195 79 2HA GLY 9 2HA GLY 9 -3.960 13.416 0.577 80 H ASP 10 H ASP 10 -5.975 14.229 1.739 81 HA ASP 10 HA ASP 10 -8.012 12.432 2.664 82 1HB ASP 10 1HB ASP 10 -8.193 15.194 1.414 83 2HB ASP 10 2HB ASP 10 -9.434 14.438 2.412 84 H ALA 11 H ALA 11 -9.556 11.286 1.520 85 HA ALA 11 HA ALA 11 -9.262 10.541 -1.157 86 1HB ALA 11 1HB ALA 11 -12.019 10.478 -0.552 87 2HB ALA 11 2HB ALA 11 -10.849 9.180 -0.317 88 3HB ALA 11 3HB ALA 11 -11.181 10.315 0.991 89 H ASN 12 H ASN 12 -11.410 13.125 0.111 90 HA ASN 12 HA ASN 12 -12.531 13.871 -2.411 91 1HB ASN 12 1HB ASN 12 -13.144 15.931 -1.158 92 2HB ASN 12 2HB ASN 12 -13.451 14.473 -0.215 93 1HD2 ASN 12 1HD2 ASN 12 -11.622 17.433 -0.327 94 2HD2 ASN 12 2HD2 ASN 12 -10.755 17.191 1.113 95 H THR 13 H THR 13 -9.736 15.267 -0.635 96 HA THR 13 HA THR 13 -9.117 17.341 -2.466 97 HB THR 13 HB THR 13 -7.110 15.664 -0.945 98 HG1 THR 13 HG1 THR 13 -7.698 17.008 0.835 99 1HG2 THR 13 1HG2 THR 13 -7.309 18.646 -1.444 100 2HG2 THR 13 2HG2 THR 13 -6.303 17.541 -2.381 101 3HG2 THR 13 3HG2 THR 13 -5.972 17.799 -0.668 102 H LEU 14 H LEU 14 -8.396 13.889 -2.589 103 HA LEU 14 HA LEU 14 -6.492 14.060 -4.782 104 1HB LEU 14 1HB LEU 14 -8.177 11.837 -3.585 105 2HB LEU 14 2HB LEU 14 -6.910 11.572 -4.784 106 HG LEU 14 HG LEU 14 -6.172 13.174 -2.383 107 1HD1 LEU 14 1HD1 LEU 14 -6.347 10.155 -2.265 108 2HD1 LEU 14 2HD1 LEU 14 -7.571 11.213 -1.563 109 3HD1 LEU 14 3HD1 LEU 14 -5.914 11.260 -0.960 110 1HD2 LEU 14 1HD2 LEU 14 -4.562 12.677 -4.191 111 2HD2 LEU 14 2HD2 LEU 14 -4.827 10.950 -3.953 112 3HD2 LEU 14 3HD2 LEU 14 -4.069 11.908 -2.681 113 H LYS 15 H LYS 15 -9.962 13.874 -4.460 114 HA LYS 15 HA LYS 15 -10.706 12.854 -7.006 115 1HB LYS 15 1HB LYS 15 -11.962 13.644 -4.761 116 2HB LYS 15 2HB LYS 15 -12.250 15.078 -5.747 117 1HG LYS 15 1HG LYS 15 -13.320 13.774 -7.467 118 2HG LYS 15 2HG LYS 15 -12.846 12.263 -6.690 119 1HD LYS 15 1HD LYS 15 -14.198 13.714 -4.701 120 2HD LYS 15 2HD LYS 15 -15.157 13.935 -6.165 121 1HE LYS 15 1HE LYS 15 -14.859 11.354 -6.472 122 2HE LYS 15 2HE LYS 15 -14.460 11.371 -4.742 123 1HZ LYS 15 1HZ LYS 15 -16.960 12.160 -6.075 124 2HZ LYS 15 2HZ LYS 15 -16.524 12.921 -4.620 125 3HZ LYS 15 3HZ LYS 15 -16.740 11.237 -4.670 126 H CYS 16 H CYS 16 -9.942 16.184 -5.974 127 HA CYS 16 HA CYS 16 -10.569 17.429 -8.504 128 1HB CYS 16 1HB CYS 16 -10.518 18.679 -6.437 129 2HB CYS 16 2HB CYS 16 -8.853 18.189 -6.123 130 HG CYS 16 HG CYS 16 -8.685 20.537 -7.201 131 H LEU 17 H LEU 17 -7.588 16.095 -7.099 132 HA LEU 17 HA LEU 17 -5.714 17.053 -9.009 133 1HB LEU 17 1HB LEU 17 -5.791 14.370 -7.589 134 2HB LEU 17 2HB LEU 17 -4.352 15.202 -8.175 135 HG LEU 17 HG LEU 17 -6.182 16.028 -5.911 136 1HD1 LEU 17 1HD1 LEU 17 -3.318 16.172 -5.481 137 2HD1 LEU 17 2HD1 LEU 17 -3.786 14.565 -6.038 138 3HD1 LEU 17 3HD1 LEU 17 -4.532 15.249 -4.593 139 1HD2 LEU 17 1HD2 LEU 17 -4.024 17.625 -7.323 140 2HD2 LEU 17 2HD2 LEU 17 -4.722 18.068 -5.765 141 3HD2 LEU 17 3HD2 LEU 17 -5.735 18.035 -7.210 142 H ARG 18 H ARG 18 -7.386 13.897 -8.943 143 HA ARG 18 HA ARG 18 -6.513 12.765 -11.324 144 1HB ARG 18 1HB ARG 18 -8.145 11.967 -9.479 145 2HB ARG 18 2HB ARG 18 -9.403 12.734 -10.449 146 1HG ARG 18 1HG ARG 18 -8.590 11.373 -12.418 147 2HG ARG 18 2HG ARG 18 -7.546 10.497 -11.297 148 1HD ARG 18 1HD ARG 18 -9.386 9.569 -10.121 149 2HD ARG 18 2HD ARG 18 -10.523 10.749 -10.803 150 HE ARG 18 HE ARG 18 -9.572 9.546 -13.058 151 1HH1 ARG 18 1HH2 ARG 18 -8.932 7.282 -11.033 152 2HH1 ARG 18 2HH2 ARG 18 -10.315 6.265 -11.265 153 1HH2 ARG 18 1HH1 ARG 18 -12.145 8.685 -12.946 154 2HH2 ARG 18 2HH1 ARG 18 -12.133 7.059 -12.349 155 H TYR 19 H TYR 19 -8.716 15.478 -10.935 156 HA TYR 19 HA TYR 19 -9.942 15.426 -13.524 157 1HB TYR 19 1HB TYR 19 -10.751 16.731 -11.613 158 2HB TYR 19 2HB TYR 19 -9.275 17.697 -11.625 159 HD1 TYR 19 HD1 TYR 19 -12.600 17.397 -12.903 160 HD2 TYR 19 HD2 TYR 19 -8.703 18.953 -13.824 161 HE1 TYR 19 HE1 TYR 19 -13.607 18.927 -14.576 162 HE2 TYR 19 HE2 TYR 19 -9.710 20.483 -15.499 163 HH TYR 19 HH TYR 19 -12.796 20.125 -16.692 164 H ARG 20 H ARG 20 -7.115 17.304 -12.349 165 HA ARG 20 HA ARG 20 -6.494 18.425 -14.935 166 1HB ARG 20 1HB ARG 20 -5.188 18.134 -12.249 167 2HB ARG 20 2HB ARG 20 -4.216 18.703 -13.607 168 1HG ARG 20 1HG ARG 20 -5.233 20.725 -13.625 169 2HG ARG 20 2HG ARG 20 -6.836 20.009 -13.451 170 1HD ARG 20 1HD ARG 20 -6.819 20.208 -11.161 171 2HD ARG 20 2HD ARG 20 -5.078 19.880 -11.048 172 HE ARG 20 HE ARG 20 -4.792 22.225 -12.066 173 1HH1 ARG 20 1HH2 ARG 20 -6.009 21.813 -9.147 174 2HH1 ARG 20 2HH2 ARG 20 -7.096 23.161 -9.125 175 1HH2 ARG 20 1HH1 ARG 20 -6.865 23.742 -12.537 176 2HH2 ARG 20 2HH1 ARG 20 -7.581 24.254 -11.044 177 H PHE 21 H PHE 21 -6.007 15.293 -13.610 178 HA PHE 21 HA PHE 21 -3.538 14.559 -14.889 179 1HB PHE 21 1HB PHE 21 -5.886 13.260 -13.605 180 2HB PHE 21 2HB PHE 21 -4.916 12.237 -14.664 181 HD1 PHE 21 HD1 PHE 21 -3.261 15.058 -13.065 182 HD2 PHE 21 HD2 PHE 21 -4.260 10.899 -12.643 183 HE1 PHE 21 HE1 PHE 21 -1.556 14.830 -11.280 184 HE2 PHE 21 HE2 PHE 21 -2.553 10.672 -10.858 185 HZ PHE 21 HZ PHE 21 -1.201 12.637 -10.176 186 H LYS 22 H LYS 22 -6.921 14.533 -15.963 187 HA LYS 22 HA LYS 22 -6.567 13.016 -18.362 188 1HB LYS 22 1HB LYS 22 -8.497 15.263 -17.695 189 2HB LYS 22 2HB LYS 22 -8.728 14.048 -18.953 190 1HG LYS 22 1HG LYS 22 -8.675 13.640 -15.959 191 2HG LYS 22 2HG LYS 22 -9.971 13.248 -17.088 192 1HD LYS 22 1HD LYS 22 -7.249 11.914 -16.972 193 2HD LYS 22 2HD LYS 22 -8.776 11.204 -16.447 194 1HE LYS 22 1HE LYS 22 -9.629 11.548 -18.823 195 2HE LYS 22 2HE LYS 22 -7.957 11.936 -19.274 196 1HZ LYS 22 1HZ LYS 22 -7.281 9.831 -18.945 197 2HZ LYS 22 2HZ LYS 22 -8.919 9.441 -19.166 198 3HZ LYS 22 3HZ LYS 22 -8.283 9.594 -17.597 199 H LYS 23 H LYS 23 -5.973 16.412 -17.597 200 HA LYS 23 HA LYS 23 -5.706 17.284 -20.363 201 1HB LYS 23 1HB LYS 23 -4.640 18.471 -17.779 202 2HB LYS 23 2HB LYS 23 -4.897 19.334 -19.295 203 1HG LYS 23 1HG LYS 23 -7.144 17.897 -17.872 204 2HG LYS 23 2HG LYS 23 -6.735 19.576 -17.519 205 1HD LYS 23 1HD LYS 23 -6.812 19.607 -20.256 206 2HD LYS 23 2HD LYS 23 -8.068 18.424 -19.886 207 1HE LYS 23 1HE LYS 23 -8.567 20.421 -18.029 208 2HE LYS 23 2HE LYS 23 -8.085 21.332 -19.474 209 1HZ LYS 23 1HZ LYS 23 -10.197 20.918 -20.104 210 2HZ LYS 23 2HZ LYS 23 -10.368 19.579 -19.072 211 3HZ LYS 23 3HZ LYS 23 -9.571 19.411 -20.563 212 H HIS 24 H HIS 24 -3.444 16.293 -17.793 213 HA HIS 24 HA HIS 24 -1.150 16.528 -19.667 214 1HB HIS 24 1HB HIS 24 -1.465 15.918 -16.711 215 2HB HIS 24 2HB HIS 24 0.096 15.951 -17.531 216 HD1 HIS 24 HD1 HIS 24 -0.029 18.381 -19.259 217 HD2 HIS 24 HD2 HIS 24 -1.668 18.351 -15.427 218 HE1 HIS 24 HE1 HIS 24 -0.164 20.798 -18.520 219 H CYS 25 H CYS 25 -3.164 14.480 -20.195 220 HA CYS 25 HA CYS 25 -2.543 11.901 -19.211 221 1HB CYS 25 1HB CYS 25 -3.548 11.210 -21.441 222 2HB CYS 25 2HB CYS 25 -4.517 12.358 -20.518 223 HG CYS 25 HG CYS 25 -2.603 13.653 -22.553 224 H THR 26 H THR 26 -0.647 13.967 -21.209 225 HA THR 26 HA THR 26 0.910 11.708 -22.355 226 HB THR 26 HB THR 26 1.854 13.423 -23.761 227 HG1 THR 26 HG1 THR 26 1.277 15.645 -23.276 228 1HG2 THR 26 1HG2 THR 26 -0.733 12.804 -23.851 229 2HG2 THR 26 2HG2 THR 26 -0.052 14.041 -24.909 230 3HG2 THR 26 3HG2 THR 26 -0.910 14.510 -23.442 231 H LEU 27 H LEU 27 0.864 13.183 -19.450 232 HA LEU 27 HA LEU 27 3.775 13.675 -19.187 233 1HB LEU 27 1HB LEU 27 1.262 14.256 -17.727 234 2HB LEU 27 2HB LEU 27 2.680 13.994 -16.709 235 HG LEU 27 HG LEU 27 3.924 15.650 -18.140 236 1HD1 LEU 27 1HD1 LEU 27 2.240 17.218 -19.395 237 2HD1 LEU 27 2HD1 LEU 27 1.196 15.796 -19.400 238 3HD1 LEU 27 3HD1 LEU 27 2.777 15.732 -20.180 239 1HD2 LEU 27 1HD2 LEU 27 2.009 17.522 -17.339 240 2HD2 LEU 27 2HD2 LEU 27 3.346 16.919 -16.359 241 3HD2 LEU 27 3HD2 LEU 27 1.759 16.158 -16.249 242 H TYR 28 H TYR 28 1.303 11.351 -18.112 243 HA TYR 28 HA TYR 28 3.469 9.752 -16.793 244 1HB TYR 28 1HB TYR 28 1.558 8.737 -15.557 245 2HB TYR 28 2HB TYR 28 1.616 10.488 -15.354 246 HD1 TYR 28 HD1 TYR 28 -0.140 11.895 -16.159 247 HD2 TYR 28 HD2 TYR 28 -0.060 7.726 -17.196 248 HE1 TYR 28 HE1 TYR 28 -2.438 12.078 -17.075 249 HE2 TYR 28 HE2 TYR 28 -2.357 7.910 -18.114 250 HH TYR 28 HH TYR 28 -4.262 9.262 -18.034 251 H THR 29 H THR 29 3.167 7.333 -17.032 252 HA THR 29 HA THR 29 2.435 6.697 -19.846 253 HB THR 29 HB THR 29 3.736 4.773 -17.963 254 HG1 THR 29 HG1 THR 29 5.738 5.947 -18.523 255 1HG2 THR 29 1HG2 THR 29 3.397 5.126 -20.779 256 2HG2 THR 29 2HG2 THR 29 4.180 3.791 -19.931 257 3HG2 THR 29 3HG2 THR 29 5.121 5.202 -20.416 258 H ALA 30 H ALA 30 1.576 5.881 -16.513 259 HA ALA 30 HA ALA 30 -0.914 4.621 -17.458 260 1HB ALA 30 1HB ALA 30 -0.284 2.458 -17.152 261 2HB ALA 30 2HB ALA 30 1.364 3.078 -17.232 262 3HB ALA 30 3HB ALA 30 0.588 2.835 -15.667 263 H VAL 31 H VAL 31 -2.343 5.604 -16.071 264 HA VAL 31 HA VAL 31 -1.512 6.283 -13.313 265 HB VAL 31 HB VAL 31 -2.755 7.838 -14.838 266 1HG1 VAL 31 1HG1 VAL 31 -5.215 6.187 -14.346 267 2HG1 VAL 31 2HG1 VAL 31 -4.159 5.783 -15.699 268 3HG1 VAL 31 3HG1 VAL 31 -4.906 7.377 -15.611 269 1HG2 VAL 31 1HG2 VAL 31 -3.250 8.663 -12.785 270 2HG2 VAL 31 2HG2 VAL 31 -3.527 7.054 -12.118 271 3HG2 VAL 31 3HG2 VAL 31 -4.818 7.884 -12.987 272 H SER 32 H SER 32 -1.497 4.341 -12.123 273 HA SER 32 HA SER 32 -3.192 2.122 -12.335 274 1HB SER 32 1HB SER 32 -2.025 1.526 -10.475 275 2HB SER 32 2HB SER 32 -1.190 3.064 -10.671 276 HG SER 32 HG SER 32 -2.757 4.001 -9.312 277 H SER 33 H SER 33 -5.224 1.584 -11.402 278 HA SER 33 HA SER 33 -7.189 3.638 -11.196 279 1HB SER 33 1HB SER 33 -7.915 1.452 -11.701 280 2HB SER 33 2HB SER 33 -6.964 0.739 -10.401 281 HG SER 33 HG SER 33 -9.438 2.035 -10.336 282 H THR 34 H THR 34 -8.458 4.142 -9.169 283 HA THR 34 HA THR 34 -6.735 5.045 -7.047 284 HB THR 34 HB THR 34 -9.728 4.642 -6.903 285 HG1 THR 34 HG1 THR 34 -8.500 6.885 -8.071 286 1HG2 THR 34 1HG2 THR 34 -9.690 6.537 -5.483 287 2HG2 THR 34 2HG2 THR 34 -8.069 6.997 -6.004 288 3HG2 THR 34 3HG2 THR 34 -8.297 5.581 -4.978 289 H TRP 35 H TRP 35 -5.881 3.768 -5.445 290 HA TRP 35 HA TRP 35 -7.550 1.573 -4.308 291 1HB TRP 35 1HB TRP 35 -5.729 -0.001 -4.623 292 2HB TRP 35 2HB TRP 35 -6.042 0.769 -6.179 293 HD1 TRP 35 HD1 TRP 35 -4.230 2.399 -7.145 294 HE1 TRP 35 HE1 TRP 35 -1.787 2.899 -6.496 295 HE3 TRP 35 HE3 TRP 35 -4.061 0.163 -2.558 296 HZ2 TRP 35 HZ2 TRP 35 0.003 2.415 -4.321 297 HZ3 TRP 35 HZ3 TRP 35 -1.976 0.197 -1.219 298 HH2 TRP 35 HH2 TRP 35 0.054 1.320 -2.095 299 H HIS 36 H HIS 36 -6.027 0.604 -2.380 300 HA HIS 36 HA HIS 36 -4.300 2.606 -1.107 301 1HB HIS 36 1HB HIS 36 -6.100 2.423 0.914 302 2HB HIS 36 2HB HIS 36 -6.153 3.701 -0.297 303 HD1 HIS 36 HD1 HIS 36 -8.038 0.795 0.970 304 HD2 HIS 36 HD2 HIS 36 -8.068 3.173 -2.453 305 HE1 HIS 36 HE1 HIS 36 -10.223 0.314 -0.216 306 H TRP 37 H TRP 37 -3.685 1.798 1.167 307 HA TRP 37 HA TRP 37 -3.023 -1.047 1.004 308 1HB TRP 37 1HB TRP 37 -2.564 1.178 3.008 309 2HB TRP 37 2HB TRP 37 -1.939 -0.455 3.238 310 HD1 TRP 37 HD1 TRP 37 -0.702 2.666 2.152 311 HE1 TRP 37 HE1 TRP 37 1.184 2.453 0.407 312 HE3 TRP 37 HE3 TRP 37 -1.375 -2.189 0.712 313 HZ2 TRP 37 HZ2 TRP 37 2.263 0.484 -1.367 314 HZ3 TRP 37 HZ3 TRP 37 0.094 -3.207 -1.007 315 HH2 TRP 37 HH2 TRP 37 1.911 -1.878 -2.046 316 H THR 38 H THR 38 -4.781 -2.402 1.394 317 HA THR 38 HA THR 38 -5.852 -2.556 4.090 318 HB THR 38 HB THR 38 -7.052 -0.584 3.170 319 HG1 THR 38 HG1 THR 38 -8.071 -2.230 4.558 320 1HG2 THR 38 1HG2 THR 38 -7.148 -0.885 0.858 321 2HG2 THR 38 2HG2 THR 38 -8.801 -1.266 1.340 322 3HG2 THR 38 3HG2 THR 38 -7.661 -2.566 0.998 323 H GLY 39 H GLY 39 -7.770 -4.220 4.066 324 1HA GLY 39 1HA GLY 39 -7.253 -6.230 1.911 325 2HA GLY 39 2HA GLY 39 -7.496 -6.694 3.596 326 H HIS 40 H HIS 40 -9.646 -6.081 4.551 327 HA HIS 40 HA HIS 40 -11.792 -6.520 2.530 328 1HB HIS 40 1HB HIS 40 -11.441 -6.894 5.500 329 2HB HIS 40 2HB HIS 40 -13.058 -6.880 4.796 330 HD1 HIS 40 HD1 HIS 40 -12.163 -8.303 2.079 331 HD2 HIS 40 HD2 HIS 40 -11.390 -9.691 5.934 332 HE1 HIS 40 HE1 HIS 40 -11.784 -10.799 1.879 333 H ASN 41 H ASN 41 -12.254 -4.988 5.655 334 HA ASN 41 HA ASN 41 -13.185 -2.503 4.252 335 1HB ASN 41 1HB ASN 41 -14.938 -3.903 5.305 336 2HB ASN 41 2HB ASN 41 -14.086 -3.800 6.847 337 1HD2 ASN 41 1HD2 ASN 41 -15.518 -1.643 4.332 338 2HD2 ASN 41 2HD2 ASN 41 -15.999 -0.441 5.429 339 H VAL 42 H VAL 42 -12.706 -0.483 5.338 340 HA VAL 42 HA VAL 42 -10.800 -0.634 7.630 341 HB VAL 42 HB VAL 42 -9.701 1.337 6.072 342 1HG1 VAL 42 1HG1 VAL 42 -8.006 -0.394 5.462 343 2HG1 VAL 42 2HG1 VAL 42 -9.112 -1.636 6.049 344 3HG1 VAL 42 3HG1 VAL 42 -8.454 -0.441 7.168 345 1HG2 VAL 42 1HG2 VAL 42 -10.252 -0.849 4.084 346 2HG2 VAL 42 2HG2 VAL 42 -9.777 0.825 3.796 347 3HG2 VAL 42 3HG2 VAL 42 -11.430 0.449 4.283 348 H LYS 43 H LYS 43 -11.392 0.841 9.160 349 HA LYS 43 HA LYS 43 -13.480 2.825 8.547 350 1HB LYS 43 1HB LYS 43 -13.622 1.544 10.590 351 2HB LYS 43 2HB LYS 43 -11.969 1.973 11.033 352 1HG LYS 43 1HG LYS 43 -12.544 4.130 11.650 353 2HG LYS 43 2HG LYS 43 -13.925 4.185 10.554 354 1HD LYS 43 1HD LYS 43 -15.339 3.263 12.083 355 2HD LYS 43 2HD LYS 43 -14.114 2.146 12.685 356 1HE LYS 43 1HE LYS 43 -13.262 4.775 13.390 357 2HE LYS 43 2HE LYS 43 -14.965 4.620 13.862 358 1HZ LYS 43 1HZ LYS 43 -13.037 2.435 14.352 359 2HZ LYS 43 2HZ LYS 43 -14.535 2.716 15.102 360 3HZ LYS 43 3HZ LYS 43 -13.203 3.706 15.461 361 H HIS 44 H HIS 44 -10.033 2.732 8.764 362 HA HIS 44 HA HIS 44 -9.659 5.548 9.466 363 1HB HIS 44 1HB HIS 44 -7.701 3.655 8.146 364 2HB HIS 44 2HB HIS 44 -7.344 4.999 9.230 365 HD1 HIS 44 HD1 HIS 44 -8.747 4.625 11.700 366 HD2 HIS 44 HD2 HIS 44 -7.557 1.277 9.519 367 HE1 HIS 44 HE1 HIS 44 -8.712 2.686 13.328 368 H LYS 45 H LYS 45 -7.496 5.641 7.272 369 HA LYS 45 HA LYS 45 -9.312 6.625 5.104 370 1HB LYS 45 1HB LYS 45 -6.420 7.291 5.745 371 2HB LYS 45 2HB LYS 45 -7.454 8.129 4.584 372 1HG LYS 45 1HG LYS 45 -8.407 7.884 7.410 373 2HG LYS 45 2HG LYS 45 -7.146 9.064 7.051 374 1HD LYS 45 1HD LYS 45 -9.570 8.946 5.288 375 2HD LYS 45 2HD LYS 45 -9.686 9.753 6.853 376 1HE LYS 45 1HE LYS 45 -8.003 11.343 6.278 377 2HE LYS 45 2HE LYS 45 -7.474 10.387 4.879 378 1HZ LYS 45 1HZ LYS 45 -9.202 11.074 3.640 379 2HZ LYS 45 2HZ LYS 45 -9.273 12.372 4.734 380 3HZ LYS 45 3HZ LYS 45 -10.296 11.030 4.935 381 H SER 46 H SER 46 -8.738 6.123 2.904 382 HA SER 46 HA SER 46 -6.491 4.322 2.331 383 1HB SER 46 1HB SER 46 -8.970 3.290 3.214 384 2HB SER 46 2HB SER 46 -8.921 2.998 1.478 385 HG SER 46 HG SER 46 -7.339 1.986 3.522 386 H ALA 47 H ALA 47 -6.165 6.210 0.861 387 HA ALA 47 HA ALA 47 -7.493 5.759 -1.735 388 1HB ALA 47 1HB ALA 47 -8.726 7.702 -1.762 389 2HB ALA 47 2HB ALA 47 -8.698 7.463 -0.016 390 3HB ALA 47 3HB ALA 47 -7.557 8.575 -0.772 391 H ILE 48 H ILE 48 -5.504 5.441 -2.748 392 HA ILE 48 HA ILE 48 -3.690 7.812 -2.879 393 HB ILE 48 HB ILE 48 -2.942 4.925 -2.293 394 1HG1 ILE 48 1HG1 ILE 48 -2.825 7.486 -0.674 395 2HG1 ILE 48 2HG1 ILE 48 -3.755 6.033 -0.308 396 1HG2 ILE 48 1HG2 ILE 48 -0.835 6.921 -2.042 397 2HG2 ILE 48 2HG2 ILE 48 -1.462 6.842 -3.689 398 3HG2 ILE 48 3HG2 ILE 48 -0.824 5.391 -2.918 399 1HD1 ILE 48 1HD1 ILE 48 -1.197 5.038 -0.555 400 2HD1 ILE 48 2HD1 ILE 48 -1.980 5.441 0.973 401 3HD1 ILE 48 3HD1 ILE 48 -0.916 6.610 0.191 402 H VAL 49 H VAL 49 -2.595 7.955 -4.920 403 HA VAL 49 HA VAL 49 -3.421 5.911 -6.957 404 HB VAL 49 HB VAL 49 -3.232 8.933 -7.149 405 1HG1 VAL 49 1HG1 VAL 49 -4.118 8.593 -9.454 406 2HG1 VAL 49 2HG1 VAL 49 -3.923 6.851 -9.246 407 3HG1 VAL 49 3HG1 VAL 49 -2.508 7.905 -9.246 408 1HG2 VAL 49 1HG2 VAL 49 -5.434 6.956 -6.789 409 2HG2 VAL 49 2HG2 VAL 49 -5.749 8.310 -7.875 410 3HG2 VAL 49 3HG2 VAL 49 -5.302 8.610 -6.195 411 H THR 50 H THR 50 -1.562 4.851 -7.537 412 HA THR 50 HA THR 50 1.040 6.285 -7.514 413 HB THR 50 HB THR 50 0.251 3.394 -8.016 414 HG1 THR 50 HG1 THR 50 1.254 3.264 -5.852 415 1HG2 THR 50 1HG2 THR 50 2.647 2.928 -7.626 416 2HG2 THR 50 2HG2 THR 50 2.956 4.661 -7.504 417 3HG2 THR 50 3HG2 THR 50 2.415 3.966 -9.032 418 H LEU 51 H LEU 51 2.413 6.237 -9.456 419 HA LEU 51 HA LEU 51 0.948 5.707 -12.011 420 1HB LEU 51 1HB LEU 51 2.550 8.178 -11.273 421 2HB LEU 51 2HB LEU 51 1.775 7.887 -12.830 422 HG LEU 51 HG LEU 51 -0.239 7.452 -10.921 423 1HD1 LEU 51 1HD1 LEU 51 0.553 8.595 -9.108 424 2HD1 LEU 51 2HD1 LEU 51 0.031 10.006 -10.029 425 3HD1 LEU 51 3HD1 LEU 51 1.720 9.505 -10.068 426 1HD2 LEU 51 1HD2 LEU 51 -0.408 10.106 -11.967 427 2HD2 LEU 51 2HD2 LEU 51 -1.254 8.664 -12.526 428 3HD2 LEU 51 3HD2 LEU 51 0.318 9.083 -13.207 429 H THR 52 H THR 52 2.254 4.820 -13.604 430 HA THR 52 HA THR 52 5.058 4.176 -12.851 431 HB THR 52 HB THR 52 4.411 2.944 -15.263 432 HG1 THR 52 HG1 THR 52 2.295 3.589 -15.166 433 1HG2 THR 52 1HG2 THR 52 5.405 1.594 -13.665 434 2HG2 THR 52 2HG2 THR 52 3.738 1.025 -13.566 435 3HG2 THR 52 3HG2 THR 52 4.352 2.170 -12.373 436 H TYR 53 H TYR 53 6.700 5.371 -13.732 437 HA TYR 53 HA TYR 53 6.098 7.048 -16.137 438 1HB TYR 53 1HB TYR 53 7.916 7.235 -13.749 439 2HB TYR 53 2HB TYR 53 8.307 8.144 -15.208 440 HD1 TYR 53 HD1 TYR 53 5.588 7.526 -12.723 441 HD2 TYR 53 HD2 TYR 53 7.172 10.151 -15.733 442 HE1 TYR 53 HE1 TYR 53 3.908 9.247 -12.110 443 HE2 TYR 53 HE2 TYR 53 5.492 11.869 -15.121 444 HH TYR 53 HH TYR 53 2.838 11.416 -13.692 445 H ASP 54 H ASP 54 7.559 7.001 -17.913 446 HA ASP 54 HA ASP 54 9.132 4.507 -18.162 447 1HB ASP 54 1HB ASP 54 7.531 6.087 -19.811 448 2HB ASP 54 2HB ASP 54 9.166 6.403 -20.388 449 H SER 55 H SER 55 9.665 7.852 -17.476 450 HA SER 55 HA SER 55 12.604 7.387 -17.536 451 1HB SER 55 1HB SER 55 12.901 9.473 -18.841 452 2HB SER 55 2HB SER 55 11.944 8.296 -19.736 453 HG SER 55 HG SER 55 10.140 9.511 -18.493 454 H GLU 56 H GLU 56 13.719 8.724 -16.028 455 HA GLU 56 HA GLU 56 12.172 9.725 -13.802 456 1HB GLU 56 1HB GLU 56 15.042 9.644 -14.676 457 2HB GLU 56 2HB GLU 56 14.601 10.657 -13.299 458 1HG GLU 56 1HG GLU 56 13.359 8.560 -12.417 459 2HG GLU 56 2HG GLU 56 14.323 7.668 -13.595 460 H TRP 57 H TRP 57 13.825 11.268 -16.544 461 HA TRP 57 HA TRP 57 13.720 13.975 -15.769 462 1HB TRP 57 1HB TRP 57 14.710 12.812 -17.839 463 2HB TRP 57 2HB TRP 57 13.094 12.915 -18.535 464 HD1 TRP 57 HD1 TRP 57 12.731 14.988 -19.938 465 HE1 TRP 57 HE1 TRP 57 13.675 17.387 -19.983 466 HE3 TRP 57 HE3 TRP 57 15.898 14.764 -15.938 467 HZ2 TRP 57 HZ2 TRP 57 15.528 18.999 -18.515 468 HZ3 TRP 57 HZ3 TRP 57 17.240 16.743 -15.283 469 HH2 TRP 57 HH2 TRP 57 17.060 18.858 -16.566 470 H GLN 58 H GLN 58 11.229 12.074 -17.494 471 HA GLN 58 HA GLN 58 9.274 14.090 -17.788 472 1HB GLN 58 1HB GLN 58 9.321 11.780 -18.769 473 2HB GLN 58 2HB GLN 58 8.873 11.141 -17.188 474 1HG GLN 58 1HG GLN 58 6.827 12.584 -17.240 475 2HG GLN 58 2HG GLN 58 7.250 13.056 -18.887 476 1HE2 GLN 58 1HE2 GLN 58 5.590 11.965 -20.048 477 2HE2 GLN 58 2HE2 GLN 58 5.377 10.281 -20.011 478 H ARG 59 H ARG 59 9.968 12.007 -14.986 479 HA ARG 59 HA ARG 59 7.673 12.597 -13.417 480 1HB ARG 59 1HB ARG 59 9.151 10.830 -12.800 481 2HB ARG 59 2HB ARG 59 10.550 11.904 -12.798 482 1HG ARG 59 1HG ARG 59 10.090 12.713 -10.714 483 2HG ARG 59 2HG ARG 59 8.348 12.695 -10.985 484 1HD ARG 59 1HD ARG 59 9.203 11.014 -9.253 485 2HD ARG 59 2HD ARG 59 8.233 10.314 -10.564 486 HE ARG 59 HE ARG 59 10.497 9.886 -11.713 487 1HH1 ARG 59 1HH1 ARG 59 9.979 7.828 -9.650 488 2HH1 ARG 59 2HH1 ARG 59 11.414 7.884 -8.683 489 1HH2 ARG 59 1HH2 ARG 59 12.418 10.979 -9.877 490 2HH2 ARG 59 2HH2 ARG 59 12.794 9.667 -8.810 491 H ASP 60 H ASP 60 10.833 14.274 -13.557 492 HA ASP 60 HA ASP 60 10.324 16.202 -11.528 493 1HB ASP 60 1HB ASP 60 12.420 15.480 -13.015 494 2HB ASP 60 2HB ASP 60 11.927 16.891 -13.955 495 H GLN 61 H GLN 61 9.647 16.339 -15.041 496 HA GLN 61 HA GLN 61 8.789 19.074 -15.093 497 1HB GLN 61 1HB GLN 61 8.223 16.629 -16.788 498 2HB GLN 61 2HB GLN 61 7.652 18.239 -17.226 499 1HG GLN 61 1HG GLN 61 9.890 19.089 -17.375 500 2HG GLN 61 2HG GLN 61 10.559 17.632 -16.641 501 1HE2 GLN 61 1HE2 GLN 61 11.292 16.067 -18.097 502 2HE2 GLN 61 2HE2 GLN 61 10.837 15.975 -19.730 503 H PHE 62 H PHE 62 6.955 16.035 -14.686 504 HA PHE 62 HA PHE 62 4.334 17.074 -14.681 505 1HB PHE 62 1HB PHE 62 4.815 14.713 -14.728 506 2HB PHE 62 2HB PHE 62 5.664 14.800 -13.185 507 HD1 PHE 62 HD1 PHE 62 2.448 14.452 -14.820 508 HD2 PHE 62 HD2 PHE 62 4.371 15.393 -11.093 509 HE1 PHE 62 HE1 PHE 62 0.318 14.040 -13.617 510 HE2 PHE 62 HE2 PHE 62 2.240 14.980 -9.892 511 HZ PHE 62 HZ PHE 62 0.214 14.304 -11.153 512 H LEU 63 H LEU 63 6.471 16.540 -11.840 513 HA LEU 63 HA LEU 63 4.727 17.618 -9.871 514 1HB LEU 63 1HB LEU 63 7.755 17.569 -10.080 515 2HB LEU 63 2HB LEU 63 6.860 17.853 -8.589 516 HG LEU 63 HG LEU 63 6.399 15.383 -10.265 517 1HD1 LEU 63 1HD1 LEU 63 8.319 15.685 -7.936 518 2HD1 LEU 63 2HD1 LEU 63 8.809 15.543 -9.625 519 3HD1 LEU 63 3HD1 LEU 63 7.982 14.203 -8.830 520 1HD2 LEU 63 1HD2 LEU 63 5.157 14.644 -8.465 521 2HD2 LEU 63 2HD2 LEU 63 4.937 16.379 -8.240 522 3HD2 LEU 63 3HD2 LEU 63 6.147 15.513 -7.294 523 H SER 64 H SER 64 6.451 19.222 -12.388 524 HA SER 64 HA SER 64 6.469 21.825 -10.950 525 1HB SER 64 1HB SER 64 8.460 21.353 -12.146 526 2HB SER 64 2HB SER 64 7.576 20.736 -13.538 527 HG SER 64 HG SER 64 7.194 22.732 -14.195 528 H GLN 65 H GLN 65 4.619 20.105 -13.366 529 HA GLN 65 HA GLN 65 3.291 22.599 -14.283 530 1HB GLN 65 1HB GLN 65 2.836 19.711 -15.088 531 2HB GLN 65 2HB GLN 65 2.373 21.152 -15.992 532 1HG GLN 65 1HG GLN 65 5.093 21.513 -15.573 533 2HG GLN 65 2HG GLN 65 4.954 19.782 -15.884 534 1HE2 GLN 65 1HE2 GLN 65 4.682 19.150 -18.046 535 2HE2 GLN 65 2HE2 GLN 65 4.340 20.218 -19.321 536 H VAL 66 H VAL 66 2.612 19.647 -12.436 537 HA VAL 66 HA VAL 66 -0.238 20.333 -12.126 538 HB VAL 66 HB VAL 66 -0.264 18.215 -10.880 539 1HG1 VAL 66 1HG1 VAL 66 0.039 18.391 -13.487 540 2HG1 VAL 66 2HG1 VAL 66 0.190 16.821 -12.698 541 3HG1 VAL 66 3HG1 VAL 66 1.636 17.722 -13.154 542 1HG2 VAL 66 1HG2 VAL 66 1.574 17.776 -9.637 543 2HG2 VAL 66 2HG2 VAL 66 2.568 18.876 -10.592 544 3HG2 VAL 66 3HG2 VAL 66 2.325 17.215 -11.130 545 H LYS 67 H LYS 67 -0.631 22.036 -10.727 546 HA LYS 67 HA LYS 67 1.085 22.575 -8.410 547 1HB LYS 67 1HB LYS 67 -0.115 24.263 -9.869 548 2HB LYS 67 2HB LYS 67 -1.631 23.697 -9.169 549 1HG LYS 67 1HG LYS 67 -0.839 24.302 -6.921 550 2HG LYS 67 2HG LYS 67 0.698 24.841 -7.599 551 1HD LYS 67 1HD LYS 67 -0.369 26.873 -7.601 552 2HD LYS 67 2HD LYS 67 -0.981 26.277 -9.144 553 1HE LYS 67 1HE LYS 67 -2.622 25.259 -6.987 554 2HE LYS 67 2HE LYS 67 -2.527 27.030 -6.906 555 1HZ LYS 67 1HZ LYS 67 -3.491 27.272 -8.914 556 2HZ LYS 67 2HZ LYS 67 -4.138 25.735 -8.590 557 3HZ LYS 67 3HZ LYS 67 -2.758 25.889 -9.567 558 H ILE 68 H ILE 68 0.644 21.932 -6.277 559 HA ILE 68 HA ILE 68 -2.035 20.832 -5.629 560 HB ILE 68 HB ILE 68 -0.460 19.094 -6.651 561 1HG1 ILE 68 1HG1 ILE 68 -1.261 18.544 -3.793 562 2HG1 ILE 68 2HG1 ILE 68 -2.428 18.629 -5.111 563 1HG2 ILE 68 1HG2 ILE 68 1.495 20.137 -5.254 564 2HG2 ILE 68 2HG2 ILE 68 1.438 18.387 -5.472 565 3HG2 ILE 68 3HG2 ILE 68 0.885 19.106 -3.960 566 1HD1 ILE 68 1HD1 ILE 68 -0.010 16.827 -5.266 567 2HD1 ILE 68 2HD1 ILE 68 -1.497 16.748 -6.210 568 3HD1 ILE 68 3HD1 ILE 68 -1.510 16.294 -4.508 569 HA PRO 69 HA PRO 69 -1.247 23.135 -1.930 570 1HB PRO 69 1HB PRO 69 -2.742 21.616 -0.209 571 2HB PRO 69 2HB PRO 69 -3.451 22.793 -1.333 572 1HG PRO 69 1HG PRO 69 -3.228 19.831 -1.591 573 2HG PRO 69 2HG PRO 69 -4.574 20.902 -2.011 574 1HD PRO 69 1HD PRO 69 -2.866 19.905 -3.851 575 2HD PRO 69 2HD PRO 69 -3.653 21.488 -4.029 576 H LYS 70 H LYS 70 -0.667 22.366 0.496 577 HA LYS 70 HA LYS 70 1.666 20.568 0.206 578 1HB LYS 70 1HB LYS 70 2.486 21.771 1.992 579 2HB LYS 70 2HB LYS 70 1.279 22.934 1.446 580 1HG LYS 70 1HG LYS 70 -0.358 21.764 3.031 581 2HG LYS 70 2HG LYS 70 1.047 20.944 3.713 582 1HD LYS 70 1HD LYS 70 1.870 22.858 4.681 583 2HD LYS 70 2HD LYS 70 1.235 23.900 3.407 584 1HE LYS 70 1HE LYS 70 -0.153 24.424 5.251 585 2HE LYS 70 2HE LYS 70 -1.112 23.211 4.380 586 1HZ LYS 70 1HZ LYS 70 -0.254 23.007 6.968 587 2HZ LYS 70 2HZ LYS 70 0.835 22.027 6.110 588 3HZ LYS 70 3HZ LYS 70 -0.836 21.736 6.010 589 H THR 71 H THR 71 -1.504 19.984 0.734 590 HA THR 71 HA THR 71 -1.296 18.229 3.085 591 HB THR 71 HB THR 71 -3.316 19.551 2.548 592 HG1 THR 71 HG1 THR 71 -4.782 17.820 2.724 593 1HG2 THR 71 1HG2 THR 71 -2.782 18.905 -0.051 594 2HG2 THR 71 2HG2 THR 71 -4.329 19.535 0.512 595 3HG2 THR 71 3HG2 THR 71 -4.104 17.796 0.309 596 H ILE 72 H ILE 72 -1.252 17.923 -0.431 597 HA ILE 72 HA ILE 72 -1.311 14.957 -0.252 598 HB ILE 72 HB ILE 72 -1.043 16.749 -2.679 599 1HG1 ILE 72 1HG1 ILE 72 -2.997 17.392 -1.230 600 2HG1 ILE 72 2HG1 ILE 72 -3.471 16.771 -2.812 601 1HG2 ILE 72 1HG2 ILE 72 -1.450 13.880 -2.160 602 2HG2 ILE 72 2HG2 ILE 72 -0.863 14.688 -3.613 603 3HG2 ILE 72 3HG2 ILE 72 -2.596 14.565 -3.312 604 1HD1 ILE 72 1HD1 ILE 72 -4.208 14.732 -1.939 605 2HD1 ILE 72 2HD1 ILE 72 -4.672 15.860 -0.664 606 3HD1 ILE 72 3HD1 ILE 72 -3.216 14.881 -0.489 607 H THR 73 H THR 73 0.715 14.255 0.460 608 HA THR 73 HA THR 73 3.167 15.472 -0.696 609 HB THR 73 HB THR 73 2.724 13.344 1.425 610 HG1 THR 73 HG1 THR 73 2.169 14.988 2.580 611 1HG2 THR 73 1HG2 THR 73 5.127 14.738 1.844 612 2HG2 THR 73 2HG2 THR 73 5.089 14.387 0.117 613 3HG2 THR 73 3HG2 THR 73 4.954 13.074 1.285 614 H VAL 74 H VAL 74 4.797 14.055 -1.690 615 HA VAL 74 HA VAL 74 3.822 11.382 -2.587 616 HB VAL 74 HB VAL 74 3.163 13.272 -4.162 617 1HG1 VAL 74 1HG1 VAL 74 5.595 14.281 -3.690 618 2HG1 VAL 74 2HG1 VAL 74 4.757 14.565 -5.215 619 3HG1 VAL 74 3HG1 VAL 74 5.995 13.314 -5.109 620 1HG2 VAL 74 1HG2 VAL 74 4.750 11.908 -6.039 621 2HG2 VAL 74 2HG2 VAL 74 3.106 11.495 -5.554 622 3HG2 VAL 74 3HG2 VAL 74 4.479 10.746 -4.741 623 H SER 75 H SER 75 5.570 10.038 -3.440 624 HA SER 75 HA SER 75 8.336 11.043 -2.915 625 1HB SER 75 1HB SER 75 6.758 9.030 -1.487 626 2HB SER 75 2HB SER 75 8.301 8.395 -2.053 627 HG SER 75 HG SER 75 8.975 10.660 -1.145 628 H THR 76 H THR 76 9.889 9.081 -3.666 629 HA THR 76 HA THR 76 8.952 8.338 -6.408 630 HB THR 76 HB THR 76 11.460 8.157 -6.773 631 HG1 THR 76 HG1 THR 76 11.717 9.563 -4.365 632 1HG2 THR 76 1HG2 THR 76 10.306 10.180 -7.429 633 2HG2 THR 76 2HG2 THR 76 11.814 10.641 -6.639 634 3HG2 THR 76 3HG2 THR 76 10.287 10.761 -5.765 635 H GLY 77 H GLY 77 9.984 6.242 -7.224 636 1HA GLY 77 1HA GLY 77 10.741 4.218 -5.271 637 2HA GLY 77 2HA GLY 77 9.102 3.984 -5.884 638 H PHE 78 H PHE 78 10.402 1.920 -6.632 639 HA PHE 78 HA PHE 78 11.113 2.389 -9.483 640 1HB PHE 78 1HB PHE 78 12.870 1.261 -7.306 641 2HB PHE 78 2HB PHE 78 13.139 0.838 -8.998 642 HD1 PHE 78 HD1 PHE 78 14.025 3.102 -6.479 643 HD2 PHE 78 HD2 PHE 78 13.033 2.963 -10.656 644 HE1 PHE 78 HE1 PHE 78 15.210 5.253 -6.832 645 HE2 PHE 78 HE2 PHE 78 14.218 5.114 -11.009 646 HZ PHE 78 HZ PHE 78 15.306 6.259 -9.096 647 H MET 79 H MET 79 10.546 0.637 -10.786 648 HA MET 79 HA MET 79 9.467 -1.792 -9.393 649 1HB MET 79 1HB MET 79 8.520 -0.423 -11.934 650 2HB MET 79 2HB MET 79 7.759 -1.816 -11.165 651 1HG MET 79 1HG MET 79 8.129 0.869 -9.808 652 2HG MET 79 2HG MET 79 6.643 0.367 -10.614 653 1HE MET 79 1HE MET 79 4.879 -1.961 -8.680 654 2HE MET 79 2HE MET 79 5.378 -1.388 -10.270 655 3HE MET 79 3HE MET 79 6.099 -2.853 -9.588 656 H SER 80 H SER 80 9.694 -3.797 -10.629 657 HA SER 80 HA SER 80 11.682 -3.680 -12.867 658 1HB SER 80 1HB SER 80 12.303 -4.342 -10.293 659 2HB SER 80 2HB SER 80 11.869 -5.924 -10.937 660 HG SER 80 HG SER 80 14.119 -4.606 -11.270 661 H ILE 81 H ILE 81 10.262 -4.348 -14.502 662 HA ILE 81 HA ILE 81 9.235 -7.127 -14.297 663 HB ILE 81 HB ILE 81 6.978 -6.225 -15.096 664 1HG1 ILE 81 1HG1 ILE 81 8.170 -3.628 -14.069 665 2HG1 ILE 81 2HG1 ILE 81 7.872 -3.991 -15.770 666 1HG2 ILE 81 1HG2 ILE 81 7.518 -6.956 -12.739 667 2HG2 ILE 81 2HG2 ILE 81 6.237 -5.748 -12.849 668 3HG2 ILE 81 3HG2 ILE 81 7.862 -5.268 -12.361 669 1HD1 ILE 81 1HD1 ILE 81 5.531 -4.499 -14.087 670 2HD1 ILE 81 2HD1 ILE 81 5.661 -3.563 -15.577 671 1H MET 1 1H MET 1 16.386 -1.176 1.293 672 2H MET 1 2H MET 1 15.391 -2.277 2.122 673 3H MET 1 3H MET 1 15.634 -0.712 2.741 674 HA MET 1 HA MET 1 14.018 0.169 1.479 675 1HB MET 1 1HB MET 1 15.489 -1.471 -0.579 676 2HB MET 1 2HB MET 1 13.993 -0.642 -1.008 677 1HG MET 1 1HG MET 1 14.913 1.500 -0.456 678 2HG MET 1 2HG MET 1 16.317 0.768 0.323 679 1HE MET 1 1HE MET 1 15.148 1.245 -3.973 680 2HE MET 1 2HE MET 1 14.939 -0.442 -3.511 681 3HE MET 1 3HE MET 1 14.153 0.839 -2.578 682 H THR 2 H THR 2 11.828 -0.421 0.848 683 HA THR 2 HA THR 2 11.018 -3.082 1.825 684 HB THR 2 HB THR 2 8.726 -1.995 1.216 685 HG1 THR 2 HG1 THR 2 8.831 -0.106 0.338 686 1HG2 THR 2 1HG2 THR 2 9.052 -1.936 3.481 687 2HG2 THR 2 2HG2 THR 2 9.272 -0.214 3.170 688 3HG2 THR 2 3HG2 THR 2 10.677 -1.266 3.334 689 HA PRO 3 HA PRO 3 10.758 -4.449 -2.386 690 1HB PRO 3 1HB PRO 3 10.298 -7.101 -1.873 691 2HB PRO 3 2HB PRO 3 11.900 -6.348 -1.720 692 1HG PRO 3 1HG PRO 3 9.890 -6.964 0.397 693 2HG PRO 3 2HG PRO 3 11.648 -7.187 0.413 694 1HD PRO 3 1HD PRO 3 10.465 -5.109 1.646 695 2HD PRO 3 2HD PRO 3 12.063 -4.970 0.883 696 H ILE 4 H ILE 4 9.107 -5.578 -3.780 697 HA ILE 4 HA ILE 4 6.375 -5.728 -2.591 698 HB ILE 4 HB ILE 4 5.599 -4.287 -4.520 699 1HG1 ILE 4 1HG1 ILE 4 8.257 -3.108 -4.897 700 2HG1 ILE 4 2HG1 ILE 4 8.163 -4.775 -5.470 701 1HG2 ILE 4 1HG2 ILE 4 7.665 -2.943 -2.755 702 2HG2 ILE 4 2HG2 ILE 4 6.064 -3.423 -2.190 703 3HG2 ILE 4 3HG2 ILE 4 6.224 -2.210 -3.460 704 1HD1 ILE 4 1HD1 ILE 4 7.521 -3.261 -7.276 705 2HD1 ILE 4 2HD1 ILE 4 6.308 -2.505 -6.243 706 3HD1 ILE 4 3HD1 ILE 4 6.110 -4.182 -6.754 707 H VAL 5 H VAL 5 4.827 -6.406 -4.572 708 HA VAL 5 HA VAL 5 6.236 -8.243 -6.443 709 HB VAL 5 HB VAL 5 4.822 -8.940 -3.991 710 1HG1 VAL 5 1HG1 VAL 5 3.912 -10.313 -6.540 711 2HG1 VAL 5 2HG1 VAL 5 2.911 -9.265 -5.537 712 3HG1 VAL 5 3HG1 VAL 5 3.495 -10.801 -4.898 713 1HG2 VAL 5 1HG2 VAL 5 5.874 -11.165 -4.534 714 2HG2 VAL 5 2HG2 VAL 5 7.011 -9.817 -4.527 715 3HG2 VAL 5 3HG2 VAL 5 6.427 -10.470 -6.057 716 H HIS 6 H HIS 6 5.240 -8.164 -8.427 717 HA HIS 6 HA HIS 6 2.537 -6.890 -8.589 718 1HB HIS 6 1HB HIS 6 5.046 -6.755 -10.051 719 2HB HIS 6 2HB HIS 6 3.706 -7.123 -11.136 720 HD1 HIS 6 HD1 HIS 6 3.724 -4.728 -12.159 721 HD2 HIS 6 HD2 HIS 6 3.030 -4.796 -8.049 722 HE1 HIS 6 HE1 HIS 6 2.918 -2.411 -11.530 723 H LEU 7 H LEU 7 0.864 -8.292 -8.972 724 HA LEU 7 HA LEU 7 1.467 -10.846 -10.434 725 1HB LEU 7 1HB LEU 7 0.876 -10.946 -7.970 726 2HB LEU 7 2HB LEU 7 -0.707 -10.290 -8.393 727 HG LEU 7 HG LEU 7 -0.594 -12.303 -10.177 728 1HD1 LEU 7 1HD1 LEU 7 1.491 -12.843 -8.186 729 2HD1 LEU 7 2HD1 LEU 7 1.206 -13.610 -9.748 730 3HD1 LEU 7 3HD1 LEU 7 0.316 -14.151 -8.323 731 1HD2 LEU 7 1HD2 LEU 7 -1.914 -13.627 -8.528 732 2HD2 LEU 7 2HD2 LEU 7 -2.399 -11.931 -8.560 733 3HD2 LEU 7 3HD2 LEU 7 -1.378 -12.533 -7.253 734 H LYS 8 H LYS 8 0.127 -11.321 -12.192 735 HA LYS 8 HA LYS 8 -2.287 -9.616 -12.632 736 1HB LYS 8 1HB LYS 8 -0.455 -8.501 -13.758 737 2HB LYS 8 2HB LYS 8 0.086 -10.018 -14.476 738 1HG LYS 8 1HG LYS 8 -2.003 -10.179 -15.758 739 2HG LYS 8 2HG LYS 8 -2.582 -8.684 -15.020 740 1HD LYS 8 1HD LYS 8 -1.549 -7.523 -16.644 741 2HD LYS 8 2HD LYS 8 -0.002 -8.124 -16.045 742 1HE LYS 8 1HE LYS 8 0.091 -8.973 -18.204 743 2HE LYS 8 2HE LYS 8 -0.789 -10.305 -17.430 744 1HZ LYS 8 1HZ LYS 8 -2.090 -9.644 -19.274 745 2HZ LYS 8 2HZ LYS 8 -1.924 -7.993 -18.904 746 3HZ LYS 8 3HZ LYS 8 -2.864 -8.999 -17.909 747 H GLY 9 H GLY 9 -3.611 -10.513 -14.492 748 1HA GLY 9 1HA GLY 9 -3.390 -12.828 -15.901 749 2HA GLY 9 2HA GLY 9 -3.729 -13.447 -14.283 750 H ASP 10 H ASP 10 -5.729 -14.273 -15.463 751 HA ASP 10 HA ASP 10 -7.753 -12.479 -16.425 752 1HB ASP 10 1HB ASP 10 -7.942 -15.244 -15.183 753 2HB ASP 10 2HB ASP 10 -9.185 -14.484 -16.177 754 H ALA 11 H ALA 11 -9.303 -11.323 -15.300 755 HA ALA 11 HA ALA 11 -9.038 -10.575 -12.622 756 1HB ALA 11 1HB ALA 11 -11.789 -10.517 -13.265 757 2HB ALA 11 2HB ALA 11 -10.618 -9.216 -13.475 758 3HB ALA 11 3HB ALA 11 -10.926 -10.346 -14.793 759 H ASN 12 H ASN 12 -11.151 -13.173 -13.909 760 HA ASN 12 HA ASN 12 -12.312 -13.905 -11.400 761 1HB ASN 12 1HB ASN 12 -12.909 -15.969 -12.656 762 2HB ASN 12 2HB ASN 12 -13.205 -14.512 -13.605 763 1HD2 ASN 12 1HD2 ASN 12 -11.387 -17.476 -13.476 764 2HD2 ASN 12 2HD2 ASN 12 -10.496 -17.233 -14.900 765 H THR 13 H THR 13 -9.489 -15.292 -13.135 766 HA THR 13 HA THR 13 -8.889 -17.367 -11.298 767 HB THR 13 HB THR 13 -6.871 -15.684 -12.800 768 HG1 THR 13 HG1 THR 13 -7.435 -17.023 -14.585 769 1HG2 THR 13 1HG2 THR 13 -7.057 -18.671 -12.325 770 2HG2 THR 13 2HG2 THR 13 -6.084 -17.570 -11.349 771 3HG2 THR 13 3HG2 THR 13 -5.709 -17.800 -13.057 772 H LEU 14 H LEU 14 -8.167 -13.911 -11.165 773 HA LEU 14 HA LEU 14 -6.299 -14.089 -8.940 774 1HB LEU 14 1HB LEU 14 -7.969 -11.855 -10.137 775 2HB LEU 14 2HB LEU 14 -6.701 -11.606 -8.935 776 HG LEU 14 HG LEU 14 -5.957 -13.199 -11.336 777 1HD1 LEU 14 1HD1 LEU 14 -6.127 -10.179 -11.472 778 2HD1 LEU 14 2HD1 LEU 14 -7.370 -11.231 -12.147 779 3HD1 LEU 14 3HD1 LEU 14 -5.724 -11.299 -12.773 780 1HD2 LEU 14 1HD2 LEU 14 -4.354 -12.693 -9.528 781 2HD2 LEU 14 2HD2 LEU 14 -4.629 -10.967 -9.761 782 3HD2 LEU 14 3HD2 LEU 14 -3.861 -11.916 -11.032 783 H LYS 15 H LYS 15 -9.766 -13.908 -9.314 784 HA LYS 15 HA LYS 15 -10.546 -12.892 -6.775 785 1HB LYS 15 1HB LYS 15 -11.773 -13.685 -9.034 786 2HB LYS 15 2HB LYS 15 -12.066 -15.120 -8.053 787 1HG LYS 15 1HG LYS 15 -13.158 -13.819 -6.343 788 2HG LYS 15 2HG LYS 15 -12.689 -12.307 -7.120 789 1HD LYS 15 1HD LYS 15 -14.012 -13.774 -9.117 790 2HD LYS 15 2HD LYS 15 -14.981 -14.000 -7.660 791 1HE LYS 15 1HE LYS 15 -14.711 -11.415 -7.360 792 2HE LYS 15 2HE LYS 15 -14.301 -11.433 -9.088 793 1HZ LYS 15 1HZ LYS 15 -16.798 -12.260 -7.768 794 2HZ LYS 15 2HZ LYS 15 -16.345 -13.002 -9.227 795 3HZ LYS 15 3HZ LYS 15 -16.586 -11.320 -9.163 796 H CYS 16 H CYS 16 -9.748 -16.210 -7.807 797 HA CYS 16 HA CYS 16 -10.398 -17.468 -5.290 798 1HB CYS 16 1HB CYS 16 -10.317 -18.710 -7.360 799 2HB CYS 16 2HB CYS 16 -8.654 -18.206 -7.655 800 HG CYS 16 HG CYS 16 -8.494 -20.566 -6.590 801 H LEU 17 H LEU 17 -7.406 -16.120 -6.658 802 HA LEU 17 HA LEU 17 -5.557 -17.069 -4.724 803 1HB LEU 17 1HB LEU 17 -5.621 -14.389 -6.149 804 2HB LEU 17 2HB LEU 17 -4.189 -15.216 -5.542 805 HG LEU 17 HG LEU 17 -5.985 -16.050 -7.830 806 1HD1 LEU 17 1HD1 LEU 17 -3.093 -16.178 -8.169 807 2HD1 LEU 17 2HD1 LEU 17 -3.626 -14.565 -7.699 808 3HD1 LEU 17 3HD1 LEU 17 -4.296 -15.330 -9.139 809 1HD2 LEU 17 1HD2 LEU 17 -3.858 -17.647 -6.370 810 2HD2 LEU 17 2HD2 LEU 17 -4.521 -18.094 -7.942 811 3HD2 LEU 17 3HD2 LEU 17 -5.567 -18.054 -6.522 812 H ARG 18 H ARG 18 -7.242 -13.919 -4.806 813 HA ARG 18 HA ARG 18 -6.399 -12.785 -2.416 814 1HB ARG 18 1HB ARG 18 -8.028 -12.002 -4.277 815 2HB ARG 18 2HB ARG 18 -9.284 -12.770 -3.306 816 1HG ARG 18 1HG ARG 18 -8.506 -11.395 -1.345 817 2HG ARG 18 2HG ARG 18 -7.429 -10.533 -2.445 818 1HD ARG 18 1HD ARG 18 -9.229 -9.583 -3.657 819 2HD ARG 18 2HD ARG 18 -10.391 -10.761 -3.016 820 HE ARG 18 HE ARG 18 -9.489 -9.571 -0.729 821 1HH1 ARG 18 1HH2 ARG 18 -8.847 -7.306 -2.765 822 2HH1 ARG 18 2HH2 ARG 18 -10.239 -6.299 -2.541 823 1HH2 ARG 18 1HH1 ARG 18 -12.055 -8.730 -0.860 824 2HH2 ARG 18 2HH1 ARG 18 -12.056 -7.106 -1.462 825 H TYR 19 H TYR 19 -8.576 -15.512 -2.832 826 HA TYR 19 HA TYR 19 -9.833 -15.473 -0.256 827 1HB TYR 19 1HB TYR 19 -10.608 -16.780 -2.181 828 2HB TYR 19 2HB TYR 19 -9.128 -17.739 -2.147 829 HD1 TYR 19 HD1 TYR 19 -12.470 -17.450 -0.915 830 HD2 TYR 19 HD2 TYR 19 -8.580 -18.988 0.062 831 HE1 TYR 19 HE1 TYR 19 -13.493 -18.981 0.749 832 HE2 TYR 19 HE2 TYR 19 -9.602 -20.518 1.727 833 HH TYR 19 HH TYR 19 -12.716 -20.173 2.869 834 H ARG 20 H ARG 20 -6.982 -17.325 -1.407 835 HA ARG 20 HA ARG 20 -6.382 -18.454 1.180 836 1HB ARG 20 1HB ARG 20 -5.056 -18.149 -1.492 837 2HB ARG 20 2HB ARG 20 -4.089 -18.711 -0.127 838 1HG ARG 20 1HG ARG 20 -5.085 -20.741 -0.123 839 2HG ARG 20 2HG ARG 20 -6.694 -20.036 -0.287 840 1HD ARG 20 1HD ARG 20 -6.685 -20.226 -2.578 841 2HD ARG 20 2HD ARG 20 -4.946 -19.893 -2.698 842 HE ARG 20 HE ARG 20 -4.653 -22.238 -1.675 843 1HH1 ARG 20 1HH2 ARG 20 -5.840 -21.830 -4.601 844 2HH1 ARG 20 2HH2 ARG 20 -6.925 -23.180 -4.633 845 1HH2 ARG 20 1HH1 ARG 20 -6.734 -23.754 -1.220 846 2HH2 ARG 20 2HH1 ARG 20 -7.431 -24.269 -2.720 847 H PHE 21 H PHE 21 -5.904 -15.317 -0.128 848 HA PHE 21 HA PHE 21 -3.455 -14.567 1.178 849 1HB PHE 21 1HB PHE 21 -5.800 -13.284 -0.126 850 2HB PHE 21 2HB PHE 21 -4.843 -12.256 0.940 851 HD1 PHE 21 HD1 PHE 21 -3.173 -15.074 -0.653 852 HD2 PHE 21 HD2 PHE 21 -4.172 -10.916 -1.068 853 HE1 PHE 21 HE1 PHE 21 -1.453 -14.838 -2.425 854 HE2 PHE 21 HE2 PHE 21 -2.451 -10.680 -2.839 855 HZ PHE 21 HZ PHE 21 -1.093 -12.640 -3.518 856 H LYS 22 H LYS 22 -6.854 -14.551 2.216 857 HA LYS 22 HA LYS 22 -6.528 -13.035 4.619 858 1HB LYS 22 1HB LYS 22 -8.438 -15.291 3.924 859 2HB LYS 22 2HB LYS 22 -8.686 -14.096 5.199 860 1HG LYS 22 1HG LYS 22 -8.641 -13.658 2.210 861 2HG LYS 22 2HG LYS 22 -9.927 -13.268 3.352 862 1HD LYS 22 1HD LYS 22 -7.197 -11.947 3.252 863 2HD LYS 22 2HD LYS 22 -8.705 -11.233 2.680 864 1HE LYS 22 1HE LYS 22 -9.619 -11.552 5.043 865 2HE LYS 22 2HE LYS 22 -7.954 -11.925 5.535 866 1HZ LYS 22 1HZ LYS 22 -7.278 -9.823 5.187 867 2HZ LYS 22 2HZ LYS 22 -8.922 -9.434 5.362 868 3HZ LYS 22 3HZ LYS 22 -8.250 -9.613 3.813 869 H LYS 23 H LYS 23 -5.913 -16.429 3.869 870 HA LYS 23 HA LYS 23 -5.668 -17.296 6.636 871 1HB LYS 23 1HB LYS 23 -4.567 -18.480 4.065 872 2HB LYS 23 2HB LYS 23 -4.845 -19.342 5.579 873 1HG LYS 23 1HG LYS 23 -7.070 -17.906 4.124 874 2HG LYS 23 2HG LYS 23 -6.657 -19.586 3.778 875 1HD LYS 23 1HD LYS 23 -6.771 -19.603 6.519 876 2HD LYS 23 2HD LYS 23 -8.031 -18.436 6.117 877 1HE LYS 23 1HE LYS 23 -8.477 -20.447 4.266 878 2HE LYS 23 2HE LYS 23 -8.010 -21.346 5.724 879 1HZ LYS 23 1HZ LYS 23 -10.133 -20.947 6.321 880 2HZ LYS 23 2HZ LYS 23 -10.306 -19.624 5.270 881 3HZ LYS 23 3HZ LYS 23 -9.535 -19.426 6.771 882 H HIS 24 H HIS 24 -3.382 -16.302 4.087 883 HA HIS 24 HA HIS 24 -1.108 -16.525 5.987 884 1HB HIS 24 1HB HIS 24 -1.400 -15.928 3.028 885 2HB HIS 24 2HB HIS 24 0.153 -15.943 3.862 886 HD1 HIS 24 HD1 HIS 24 0.033 -18.363 5.601 887 HD2 HIS 24 HD2 HIS 24 -1.562 -18.368 1.750 888 HE1 HIS 24 HE1 HIS 24 -0.072 -20.787 4.872 889 H CYS 25 H CYS 25 -3.143 -14.482 6.477 890 HA CYS 25 HA CYS 25 -2.515 -11.905 5.492 891 1HB CYS 25 1HB CYS 25 -3.542 -11.213 7.718 892 2HB CYS 25 2HB CYS 25 -4.505 -12.347 6.771 893 HG CYS 25 HG CYS 25 -2.631 -13.654 8.842 894 H THR 26 H THR 26 -0.641 -13.956 7.527 895 HA THR 26 HA THR 26 0.895 -11.693 8.694 896 HB THR 26 HB THR 26 1.836 -13.419 10.099 897 HG1 THR 26 HG1 THR 26 1.283 -15.632 9.610 898 1HG2 THR 26 1HG2 THR 26 -0.744 -12.781 10.182 899 2HG2 THR 26 2HG2 THR 26 -0.081 -14.030 11.235 900 3HG2 THR 26 3HG2 THR 26 -0.937 -14.483 9.761 901 H LEU 27 H LEU 27 0.889 -13.163 5.787 902 HA LEU 27 HA LEU 27 3.804 -13.645 5.556 903 1HB LEU 27 1HB LEU 27 1.305 -14.242 4.082 904 2HB LEU 27 2HB LEU 27 2.722 -13.965 3.067 905 HG LEU 27 HG LEU 27 3.979 -15.615 4.492 906 1HD1 LEU 27 1HD1 LEU 27 2.305 -17.197 5.746 907 2HD1 LEU 27 2HD1 LEU 27 1.257 -15.780 5.762 908 3HD1 LEU 27 3HD1 LEU 27 2.841 -15.715 6.535 909 1HD2 LEU 27 1HD2 LEU 27 2.101 -17.510 3.696 910 2HD2 LEU 27 2HD2 LEU 27 3.401 -16.864 2.695 911 3HD2 LEU 27 3HD2 LEU 27 1.792 -16.145 2.622 912 H TYR 28 H TYR 28 1.332 -11.336 4.443 913 HA TYR 28 HA TYR 28 3.503 -9.723 3.154 914 1HB TYR 28 1HB TYR 28 1.597 -8.717 1.904 915 2HB TYR 28 2HB TYR 28 1.670 -10.467 1.697 916 HD1 TYR 28 HD1 TYR 28 -0.091 -11.883 2.462 917 HD2 TYR 28 HD2 TYR 28 -0.034 -7.729 3.552 918 HE1 TYR 28 HE1 TYR 28 -2.396 -12.085 3.354 919 HE2 TYR 28 HE2 TYR 28 -2.339 -7.931 4.445 920 HH TYR 28 HH TYR 28 -4.250 -9.298 4.308 921 H THR 29 H THR 29 3.176 -7.308 3.383 922 HA THR 29 HA THR 29 2.417 -6.665 6.191 923 HB THR 29 HB THR 29 3.738 -4.746 4.319 924 HG1 THR 29 HG1 THR 29 5.734 -5.922 4.890 925 1HG2 THR 29 1HG2 THR 29 3.379 -5.099 7.132 926 2HG2 THR 29 2HG2 THR 29 4.173 -3.768 6.291 927 3HG2 THR 29 3HG2 THR 29 5.106 -5.182 6.781 928 H ALA 30 H ALA 30 1.594 -5.869 2.847 929 HA ALA 30 HA ALA 30 -0.905 -4.603 3.757 930 1HB ALA 30 1HB ALA 30 -0.258 -2.446 3.470 931 2HB ALA 30 2HB ALA 30 1.392 -3.069 3.513 932 3HB ALA 30 3HB ALA 30 0.583 -2.820 1.966 933 H VAL 31 H VAL 31 -2.314 -5.613 2.363 934 HA VAL 31 HA VAL 31 -1.452 -6.291 -0.386 935 HB VAL 31 HB VAL 31 -2.700 -7.854 1.129 936 1HG1 VAL 31 1HG1 VAL 31 -5.189 -6.269 0.623 937 2HG1 VAL 31 2HG1 VAL 31 -4.128 -5.766 1.939 938 3HG1 VAL 31 3HG1 VAL 31 -4.820 -7.388 1.936 939 1HG2 VAL 31 1HG2 VAL 31 -3.165 -8.674 -0.934 940 2HG2 VAL 31 2HG2 VAL 31 -3.476 -7.069 -1.594 941 3HG2 VAL 31 3HG2 VAL 31 -4.748 -7.927 -0.726 942 H SER 32 H SER 32 -1.433 -4.339 -1.562 943 HA SER 32 HA SER 32 -3.146 -2.134 -1.348 944 1HB SER 32 1HB SER 32 -1.966 -1.503 -3.190 945 2HB SER 32 2HB SER 32 -1.110 -3.031 -2.995 946 HG SER 32 HG SER 32 -2.674 -3.977 -4.372 947 H SER 33 H SER 33 -5.167 -1.597 -2.316 948 HA SER 33 HA SER 33 -7.115 -3.665 -2.554 949 1HB SER 33 1HB SER 33 -7.878 -1.497 -2.052 950 2HB SER 33 2HB SER 33 -6.898 -0.760 -3.316 951 HG SER 33 HG SER 33 -9.362 -2.053 -3.460 952 H THR 34 H THR 34 -8.358 -4.165 -4.593 953 HA THR 34 HA THR 34 -6.611 -5.064 -6.697 954 HB THR 34 HB THR 34 -9.602 -4.660 -6.865 955 HG1 THR 34 HG1 THR 34 -8.394 -6.911 -5.696 956 1HG2 THR 34 1HG2 THR 34 -9.563 -6.530 -8.303 957 2HG2 THR 34 2HG2 THR 34 -7.964 -7.029 -7.752 958 3HG2 THR 34 3HG2 THR 34 -8.138 -5.604 -8.776 959 H TRP 35 H TRP 35 -5.748 -3.794 -8.304 960 HA TRP 35 HA TRP 35 -7.414 -1.607 -9.456 961 1HB TRP 35 1HB TRP 35 -5.597 -0.027 -9.143 962 2HB TRP 35 2HB TRP 35 -5.928 -0.781 -7.582 963 HD1 TRP 35 HD1 TRP 35 -4.132 -2.417 -6.589 964 HE1 TRP 35 HE1 TRP 35 -1.678 -2.912 -7.195 965 HE3 TRP 35 HE3 TRP 35 -3.892 -0.180 -11.172 966 HZ2 TRP 35 HZ2 TRP 35 0.148 -2.423 -9.341 967 HZ3 TRP 35 HZ3 TRP 35 -1.784 -0.208 -12.476 968 HH2 TRP 35 HH2 TRP 35 0.233 -1.327 -11.566 969 H HIS 36 H HIS 36 -5.869 -0.628 -11.365 970 HA HIS 36 HA HIS 36 -4.129 -2.624 -12.625 971 1HB HIS 36 1HB HIS 36 -5.908 -2.432 -14.665 972 2HB HIS 36 2HB HIS 36 -5.964 -3.720 -13.466 973 HD1 HIS 36 HD1 HIS 36 -7.862 -0.827 -14.739 974 HD2 HIS 36 HD2 HIS 36 -7.902 -3.211 -11.319 975 HE1 HIS 36 HE1 HIS 36 -10.069 -0.379 -13.580 976 H TRP 37 H TRP 37 -3.481 -1.812 -14.882 977 HA TRP 37 HA TRP 37 -2.836 1.036 -14.712 978 1HB TRP 37 1HB TRP 37 -2.341 -1.188 -16.709 979 2HB TRP 37 2HB TRP 37 -1.721 0.446 -16.932 980 HD1 TRP 37 HD1 TRP 37 -0.483 -2.668 -15.827 981 HE1 TRP 37 HE1 TRP 37 1.384 -2.444 -14.063 982 HE3 TRP 37 HE3 TRP 37 -1.196 2.185 -14.405 983 HZ2 TRP 37 HZ2 TRP 37 2.433 -0.465 -12.281 984 HZ3 TRP 37 HZ3 TRP 37 0.249 3.214 -12.674 985 HH2 TRP 37 HH2 TRP 37 2.062 1.896 -11.612 986 H THR 38 H THR 38 -4.597 2.374 -15.119 987 HA THR 38 HA THR 38 -5.637 2.530 -17.828 988 HB THR 38 HB THR 38 -6.833 0.546 -16.926 989 HG1 THR 38 HG1 THR 38 -7.845 2.194 -18.323 990 1HG2 THR 38 1HG2 THR 38 -6.954 0.855 -14.609 991 2HG2 THR 38 2HG2 THR 38 -8.609 1.192 -15.118 992 3HG2 THR 38 3HG2 THR 38 -7.506 2.522 -14.764 993 H GLY 39 H GLY 39 -7.556 4.190 -17.825 994 1HA GLY 39 1HA GLY 39 -7.085 6.187 -15.647 995 2HA GLY 39 2HA GLY 39 -7.300 6.663 -17.333 996 H HIS 40 H HIS 40 -9.430 6.058 -18.330 997 HA HIS 40 HA HIS 40 -11.612 6.476 -16.347 998 1HB HIS 40 1HB HIS 40 -11.205 6.857 -19.307 999 2HB HIS 40 2HB HIS 40 -12.838 6.824 -18.641 1000 HD1 HIS 40 HD1 HIS 40 -11.989 8.236 -15.894 1001 HD2 HIS 40 HD2 HIS 40 -11.199 9.663 -19.730 1002 HE1 HIS 40 HE1 HIS 40 -11.643 10.735 -15.671 1003 H ASN 41 H ASN 41 -12.025 4.936 -19.476 1004 HA ASN 41 HA ASN 41 -12.962 2.453 -18.073 1005 1HB ASN 41 1HB ASN 41 -14.718 3.831 -19.134 1006 2HB ASN 41 2HB ASN 41 -13.853 3.751 -20.669 1007 1HD2 ASN 41 1HD2 ASN 41 -15.302 1.572 -18.190 1008 2HD2 ASN 41 2HD2 ASN 41 -15.753 0.368 -19.299 1009 H VAL 42 H VAL 42 -12.461 0.434 -19.134 1010 HA VAL 42 HA VAL 42 -10.541 0.578 -21.415 1011 HB VAL 42 HB VAL 42 -9.459 -1.392 -19.848 1012 1HG1 VAL 42 1HG1 VAL 42 -7.774 0.345 -19.213 1013 2HG1 VAL 42 2HG1 VAL 42 -8.874 1.581 -19.824 1014 3HG1 VAL 42 3HG1 VAL 42 -8.197 0.381 -20.924 1015 1HG2 VAL 42 1HG2 VAL 42 -10.026 0.787 -17.856 1016 2HG2 VAL 42 2HG2 VAL 42 -9.563 -0.891 -17.571 1017 3HG2 VAL 42 3HG2 VAL 42 -11.208 -0.505 -18.074 1018 H LYS 43 H LYS 43 -11.118 -0.897 -22.950 1019 HA LYS 43 HA LYS 43 -13.207 -2.891 -22.365 1020 1HB LYS 43 1HB LYS 43 -13.316 -1.604 -24.411 1021 2HB LYS 43 2HB LYS 43 -11.658 -2.037 -24.830 1022 1HG LYS 43 1HG LYS 43 -12.231 -4.192 -25.460 1023 2HG LYS 43 2HG LYS 43 -13.628 -4.247 -24.384 1024 1HD LYS 43 1HD LYS 43 -15.018 -3.312 -25.928 1025 2HD LYS 43 2HD LYS 43 -13.779 -2.201 -26.512 1026 1HE LYS 43 1HE LYS 43 -12.939 -4.840 -27.212 1027 2HE LYS 43 2HE LYS 43 -14.632 -4.657 -27.715 1028 1HZ LYS 43 1HZ LYS 43 -12.675 -2.490 -28.156 1029 2HZ LYS 43 2HZ LYS 43 -14.154 -2.766 -28.945 1030 3HZ LYS 43 3HZ LYS 43 -12.816 -3.761 -29.270 1031 H HIS 44 H HIS 44 -9.755 -2.771 -22.559 1032 HA HIS 44 HA HIS 44 -9.337 -5.580 -23.248 1033 1HB HIS 44 1HB HIS 44 -7.431 -3.659 -21.892 1034 2HB HIS 44 2HB HIS 44 -7.032 -5.000 -22.965 1035 HD1 HIS 44 HD1 HIS 44 -8.437 -4.644 -25.452 1036 HD2 HIS 44 HD2 HIS 44 -7.253 -1.292 -23.276 1037 HE1 HIS 44 HE1 HIS 44 -8.395 -2.710 -27.085 1038 H LYS 45 H LYS 45 -7.210 -5.665 -21.029 1039 HA LYS 45 HA LYS 45 -9.041 -6.673 -18.884 1040 1HB LYS 45 1HB LYS 45 -6.140 -7.317 -19.511 1041 2HB LYS 45 2HB LYS 45 -7.168 -8.162 -18.353 1042 1HG LYS 45 1HG LYS 45 -8.113 -7.925 -21.185 1043 2HG LYS 45 2HG LYS 45 -6.848 -9.097 -20.817 1044 1HD LYS 45 1HD LYS 45 -9.291 -8.988 -19.077 1045 2HD LYS 45 2HD LYS 45 -9.380 -9.806 -20.638 1046 1HE LYS 45 1HE LYS 45 -7.691 -11.379 -20.032 1047 2HE LYS 45 2HE LYS 45 -7.191 -10.412 -18.630 1048 1HZ LYS 45 1HZ LYS 45 -8.932 -11.108 -17.412 1049 2HZ LYS 45 2HZ LYS 45 -8.975 -12.411 -18.501 1050 3HZ LYS 45 3HZ LYS 45 -10.007 -11.081 -18.724 1051 H SER 46 H SER 46 -8.528 -6.140 -16.681 1052 HA SER 46 HA SER 46 -6.280 -4.342 -16.079 1053 1HB SER 46 1HB SER 46 -8.764 -3.325 -16.976 1054 2HB SER 46 2HB SER 46 -8.715 -3.024 -15.242 1055 HG SER 46 HG SER 46 -7.076 -2.071 -17.292 1056 H ALA 47 H ALA 47 -5.962 -6.238 -14.610 1057 HA ALA 47 HA ALA 47 -7.317 -5.794 -12.024 1058 1HB ALA 47 1HB ALA 47 -8.523 -7.755 -12.008 1059 2HB ALA 47 2HB ALA 47 -8.494 -7.499 -13.753 1060 3HB ALA 47 3HB ALA 47 -7.343 -8.606 -13.004 1061 H ILE 48 H ILE 48 -5.336 -5.457 -10.993 1062 HA ILE 48 HA ILE 48 -3.515 -7.823 -10.840 1063 HB ILE 48 HB ILE 48 -2.775 -4.933 -11.422 1064 1HG1 ILE 48 1HG1 ILE 48 -2.603 -7.503 -13.024 1065 2HG1 ILE 48 2HG1 ILE 48 -3.546 -6.062 -13.412 1066 1HG2 ILE 48 1HG2 ILE 48 -0.648 -6.921 -11.619 1067 2HG2 ILE 48 2HG2 ILE 48 -1.299 -6.817 -9.983 1068 3HG2 ILE 48 3HG2 ILE 48 -0.660 -5.373 -10.770 1069 1HD1 ILE 48 1HD1 ILE 48 -0.995 -5.046 -13.117 1070 2HD1 ILE 48 2HD1 ILE 48 -1.760 -5.438 -14.658 1071 3HD1 ILE 48 3HD1 ILE 48 -0.700 -6.610 -13.876 1072 H VAL 49 H VAL 49 -2.436 -7.957 -8.789 1073 HA VAL 49 HA VAL 49 -3.297 -5.921 -6.756 1074 HB VAL 49 HB VAL 49 -3.102 -8.945 -6.579 1075 1HG1 VAL 49 1HG1 VAL 49 -4.016 -8.602 -4.273 1076 2HG1 VAL 49 2HG1 VAL 49 -3.770 -6.867 -4.474 1077 3HG1 VAL 49 3HG1 VAL 49 -2.385 -7.958 -4.470 1078 1HG2 VAL 49 1HG2 VAL 49 -5.306 -6.959 -6.907 1079 2HG2 VAL 49 2HG2 VAL 49 -5.616 -8.342 -5.857 1080 3HG2 VAL 49 3HG2 VAL 49 -5.168 -8.597 -7.544 1081 H THR 50 H THR 50 -1.447 -4.856 -6.148 1082 HA THR 50 HA THR 50 1.160 -6.280 -6.145 1083 HB THR 50 HB THR 50 0.353 -3.389 -5.671 1084 HG1 THR 50 HG1 THR 50 1.366 -3.244 -7.811 1085 1HG2 THR 50 1HG2 THR 50 2.757 -2.917 -6.009 1086 2HG2 THR 50 2HG2 THR 50 3.075 -4.649 -6.108 1087 3HG2 THR 50 3HG2 THR 50 2.494 -3.944 -4.599 1088 H LEU 51 H LEU 51 2.516 -6.224 -4.187 1089 HA LEU 51 HA LEU 51 1.022 -5.696 -1.648 1090 1HB LEU 51 1HB LEU 51 2.647 -8.159 -2.364 1091 2HB LEU 51 2HB LEU 51 1.848 -7.871 -0.817 1092 HG LEU 51 HG LEU 51 -0.145 -7.448 -2.744 1093 1HD1 LEU 51 1HD1 LEU 51 0.668 -8.571 -4.557 1094 2HD1 LEU 51 2HD1 LEU 51 0.155 -9.995 -3.653 1095 3HD1 LEU 51 3HD1 LEU 51 1.839 -9.475 -3.598 1096 1HD2 LEU 51 1HD2 LEU 51 -0.288 -10.114 -1.709 1097 2HD2 LEU 51 2HD2 LEU 51 -1.173 -8.687 -1.171 1098 3HD2 LEU 51 3HD2 LEU 51 0.393 -9.075 -0.458 1099 H THR 52 H THR 52 2.307 -4.797 -0.044 1100 HA THR 52 HA THR 52 5.119 -4.147 -0.767 1101 HB THR 52 HB THR 52 4.444 -2.898 1.628 1102 HG1 THR 52 HG1 THR 52 2.336 -3.510 1.550 1103 1HG2 THR 52 1HG2 THR 52 5.432 -1.531 0.055 1104 2HG2 THR 52 2HG2 THR 52 3.757 -1.008 -0.118 1105 3HG2 THR 52 3HG2 THR 52 4.445 -2.158 -1.265 1106 H TYR 53 H TYR 53 6.756 -5.325 0.141 1107 HA TYR 53 HA TYR 53 6.135 -7.002 2.542 1108 1HB TYR 53 1HB TYR 53 7.988 -7.176 0.179 1109 2HB TYR 53 2HB TYR 53 8.359 -8.085 1.644 1110 HD1 TYR 53 HD1 TYR 53 5.676 -7.478 -0.883 1111 HD2 TYR 53 HD2 TYR 53 7.232 -10.098 2.146 1112 HE1 TYR 53 HE1 TYR 53 4.018 -9.207 -1.525 1113 HE2 TYR 53 HE2 TYR 53 5.573 -11.827 1.503 1114 HH TYR 53 HH TYR 53 2.943 -11.393 0.045 1115 H ASP 54 H ASP 54 7.576 -6.955 4.324 1116 HA ASP 54 HA ASP 54 9.144 -4.461 4.599 1117 1HB ASP 54 1HB ASP 54 7.533 -6.070 6.224 1118 2HB ASP 54 2HB ASP 54 9.169 -6.352 6.821 1119 H SER 55 H SER 55 9.677 -7.805 3.902 1120 HA SER 55 HA SER 55 12.616 -7.350 4.006 1121 1HB SER 55 1HB SER 55 12.879 -9.443 5.307 1122 2HB SER 55 2HB SER 55 11.915 -8.264 6.191 1123 HG SER 55 HG SER 55 10.124 -9.466 4.910 1124 H GLU 56 H GLU 56 13.741 -8.645 2.487 1125 HA GLU 56 HA GLU 56 12.242 -9.667 0.242 1126 1HB GLU 56 1HB GLU 56 15.093 -9.583 1.174 1127 2HB GLU 56 2HB GLU 56 14.681 -10.602 -0.206 1128 1HG GLU 56 1HG GLU 56 13.457 -8.507 -1.122 1129 2HG GLU 56 2HG GLU 56 14.404 -7.614 0.069 1130 H TRP 57 H TRP 57 13.867 -11.203 3.007 1131 HA TRP 57 HA TRP 57 13.775 -13.908 2.233 1132 1HB TRP 57 1HB TRP 57 14.747 -12.746 4.308 1133 2HB TRP 57 2HB TRP 57 13.125 -12.850 4.993 1134 HD1 TRP 57 HD1 TRP 57 12.737 -14.929 6.378 1135 HE1 TRP 57 HE1 TRP 57 13.688 -17.325 6.437 1136 HE3 TRP 57 HE3 TRP 57 15.970 -14.687 2.433 1137 HZ2 TRP 57 HZ2 TRP 57 15.575 -18.927 4.996 1138 HZ3 TRP 57 HZ3 TRP 57 17.331 -16.660 1.796 1139 HH2 TRP 57 HH2 TRP 57 17.137 -18.777 3.073 1140 H GLN 58 H GLN 58 11.263 -12.023 3.946 1141 HA GLN 58 HA GLN 58 9.319 -14.051 4.218 1142 1HB GLN 58 1HB GLN 58 9.335 -11.752 5.210 1143 2HB GLN 58 2HB GLN 58 8.920 -11.101 3.624 1144 1HG GLN 58 1HG GLN 58 6.875 -12.556 3.629 1145 2HG GLN 58 2HG GLN 58 7.261 -13.014 5.287 1146 1HE2 GLN 58 1HE2 GLN 58 5.593 -11.920 6.420 1147 2HE2 GLN 58 2HE2 GLN 58 5.367 -10.238 6.361 1148 H ARG 59 H ARG 59 10.036 -11.968 1.424 1149 HA ARG 59 HA ARG 59 7.757 -12.566 -0.170 1150 1HB ARG 59 1HB ARG 59 9.235 -10.792 -0.770 1151 2HB ARG 59 2HB ARG 59 10.638 -11.862 -0.760 1152 1HG ARG 59 1HG ARG 59 10.201 -12.673 -2.847 1153 2HG ARG 59 2HG ARG 59 8.455 -12.658 -2.595 1154 1HD ARG 59 1HD ARG 59 9.329 -10.977 -4.318 1155 2HD ARG 59 2HD ARG 59 8.342 -10.277 -3.019 1156 HE ARG 59 HE ARG 59 10.593 -9.850 -1.843 1157 1HH1 ARG 59 1HH1 ARG 59 10.097 -7.783 -3.894 1158 2HH1 ARG 59 2HH1 ARG 59 11.539 -7.835 -4.851 1159 1HH2 ARG 59 1HH2 ARG 59 12.530 -10.937 -3.662 1160 2HH2 ARG 59 2HH2 ARG 59 12.918 -9.622 -4.720 1161 H ASP 60 H ASP 60 10.928 -14.227 -0.012 1162 HA ASP 60 HA ASP 60 10.451 -16.157 -2.045 1163 1HB ASP 60 1HB ASP 60 12.521 -15.425 -0.515 1164 2HB ASP 60 2HB ASP 60 12.025 -16.850 0.399 1165 H GLN 61 H GLN 61 9.737 -16.286 1.454 1166 HA GLN 61 HA GLN 61 8.886 -19.024 1.520 1167 1HB GLN 61 1HB GLN 61 8.318 -16.557 3.180 1168 2HB GLN 61 2HB GLN 61 7.724 -18.156 3.633 1169 1HG GLN 61 1HG GLN 61 9.962 -19.031 3.792 1170 2HG GLN 61 2HG GLN 61 10.643 -17.569 3.077 1171 1HE2 GLN 61 1HE2 GLN 61 11.350 -16.010 4.545 1172 2HE2 GLN 61 2HE2 GLN 61 10.881 -15.927 6.174 1173 H PHE 62 H PHE 62 7.051 -15.994 1.080 1174 HA PHE 62 HA PHE 62 4.431 -17.033 1.059 1175 1HB PHE 62 1HB PHE 62 4.907 -14.671 1.095 1176 2HB PHE 62 2HB PHE 62 5.772 -14.766 -0.439 1177 HD1 PHE 62 HD1 PHE 62 2.539 -14.433 1.164 1178 HD2 PHE 62 HD2 PHE 62 4.501 -15.354 -2.545 1179 HE1 PHE 62 HE1 PHE 62 0.417 -14.031 -0.058 1180 HE2 PHE 62 HE2 PHE 62 2.380 -14.951 -3.768 1181 HZ PHE 62 HZ PHE 62 0.338 -14.290 -2.523 1182 H LEU 63 H LEU 63 6.594 -16.512 -1.762 1183 HA LEU 63 HA LEU 63 4.865 -17.595 -3.742 1184 1HB LEU 63 1HB LEU 63 7.891 -17.533 -3.507 1185 2HB LEU 63 2HB LEU 63 7.011 -17.830 -5.006 1186 HG LEU 63 HG LEU 63 6.497 -15.360 -3.350 1187 1HD1 LEU 63 1HD1 LEU 63 8.477 -15.633 -5.632 1188 2HD1 LEU 63 2HD1 LEU 63 8.929 -15.501 -3.933 1189 3HD1 LEU 63 3HD1 LEU 63 8.107 -14.161 -4.733 1190 1HD2 LEU 63 1HD2 LEU 63 5.289 -14.644 -5.177 1191 2HD2 LEU 63 2HD2 LEU 63 5.108 -16.383 -5.415 1192 3HD2 LEU 63 3HD2 LEU 63 6.327 -15.491 -6.325 1193 H SER 64 H SER 64 6.596 -19.199 -1.223 1194 HA SER 64 HA SER 64 6.621 -21.801 -2.656 1195 1HB SER 64 1HB SER 64 8.596 -21.315 -1.434 1196 2HB SER 64 2HB SER 64 7.690 -20.716 -0.049 1197 HG SER 64 HG SER 64 7.336 -22.716 0.598 1198 H GLN 65 H GLN 65 4.745 -20.086 -0.259 1199 HA GLN 65 HA GLN 65 3.411 -22.581 0.648 1200 1HB GLN 65 1HB GLN 65 2.944 -19.693 1.445 1201 2HB GLN 65 2HB GLN 65 2.483 -21.136 2.350 1202 1HG GLN 65 1HG GLN 65 5.208 -21.482 1.941 1203 2HG GLN 65 2HG GLN 65 5.058 -19.754 2.254 1204 1HE2 GLN 65 1HE2 GLN 65 4.749 -19.122 4.416 1205 2HE2 GLN 65 2HE2 GLN 65 4.418 -20.197 5.687 1206 H VAL 66 H VAL 66 2.757 -19.650 -1.236 1207 HA VAL 66 HA VAL 66 -0.096 -20.342 -1.550 1208 HB VAL 66 HB VAL 66 -0.131 -18.225 -2.797 1209 1HG1 VAL 66 1HG1 VAL 66 0.126 -18.385 -0.197 1210 2HG1 VAL 66 2HG1 VAL 66 0.318 -16.817 -0.981 1211 3HG1 VAL 66 3HG1 VAL 66 1.740 -17.739 -0.493 1212 1HG2 VAL 66 1HG2 VAL 66 1.711 -17.751 -4.019 1213 2HG2 VAL 66 2HG2 VAL 66 2.705 -18.858 -3.071 1214 3HG2 VAL 66 3HG2 VAL 66 2.451 -17.203 -2.515 1215 H LYS 67 H LYS 67 -0.478 -22.037 -2.954 1216 HA LYS 67 HA LYS 67 1.257 -22.578 -5.254 1217 1HB LYS 67 1HB LYS 67 0.030 -24.264 -3.811 1218 2HB LYS 67 2HB LYS 67 -1.473 -23.694 -4.539 1219 1HG LYS 67 1HG LYS 67 -0.647 -24.296 -6.770 1220 2HG LYS 67 2HG LYS 67 0.885 -24.824 -6.074 1221 1HD LYS 67 1HD LYS 67 -0.172 -26.863 -6.106 1222 2HD LYS 67 2HD LYS 67 -0.789 -26.286 -4.557 1223 1HE LYS 67 1HE LYS 67 -2.434 -25.256 -6.707 1224 2HE LYS 67 2HE LYS 67 -2.327 -27.025 -6.805 1225 1HZ LYS 67 1HZ LYS 67 -3.270 -27.295 -4.785 1226 2HZ LYS 67 2HZ LYS 67 -3.958 -25.777 -5.120 1227 3HZ LYS 67 3HZ LYS 67 -2.576 -25.890 -4.139 1228 H ILE 68 H ILE 68 0.843 -21.928 -7.385 1229 HA ILE 68 HA ILE 68 -1.826 -20.823 -8.056 1230 HB ILE 68 HB ILE 68 -0.257 -19.083 -7.020 1231 1HG1 ILE 68 1HG1 ILE 68 -1.016 -18.527 -9.888 1232 2HG1 ILE 68 2HG1 ILE 68 -2.214 -18.644 -8.599 1233 1HG2 ILE 68 1HG2 ILE 68 1.705 -20.136 -8.412 1234 2HG2 ILE 68 2HG2 ILE 68 1.654 -18.387 -8.182 1235 3HG2 ILE 68 3HG2 ILE 68 1.105 -19.093 -9.702 1236 1HD1 ILE 68 1HD1 ILE 68 0.171 -16.808 -8.373 1237 2HD1 ILE 68 2HD1 ILE 68 -1.332 -16.769 -7.450 1238 3HD1 ILE 68 3HD1 ILE 68 -1.326 -16.289 -9.148 1239 HA PRO 69 HA PRO 69 -0.991 -23.123 -11.737 1240 1HB PRO 69 1HB PRO 69 -2.486 -21.620 -13.475 1241 2HB PRO 69 2HB PRO 69 -3.192 -22.803 -12.356 1242 1HG PRO 69 1HG PRO 69 -3.012 -19.841 -12.109 1243 2HG PRO 69 2HG PRO 69 -4.339 -20.932 -11.681 1244 1HD PRO 69 1HD PRO 69 -2.639 -19.889 -9.853 1245 2HD PRO 69 2HD PRO 69 -3.421 -21.470 -9.654 1246 H LYS 70 H LYS 70 -0.381 -22.380 -14.147 1247 HA LYS 70 HA LYS 70 1.937 -20.570 -13.855 1248 1HB LYS 70 1HB LYS 70 2.768 -21.784 -15.633 1249 2HB LYS 70 2HB LYS 70 1.555 -22.942 -15.088 1250 1HG LYS 70 1HG LYS 70 -0.074 -21.801 -16.684 1251 2HG LYS 70 2HG LYS 70 1.315 -20.943 -17.349 1252 1HD LYS 70 1HD LYS 70 2.188 -22.826 -18.332 1253 2HD LYS 70 2HD LYS 70 1.564 -23.898 -17.078 1254 1HE LYS 70 1HE LYS 70 0.194 -24.429 -18.928 1255 2HE LYS 70 2HE LYS 70 -0.789 -23.225 -18.072 1256 1HZ LYS 70 1HZ LYS 70 0.142 -23.022 -20.649 1257 2HZ LYS 70 2HZ LYS 70 1.155 -21.994 -19.754 1258 3HZ LYS 70 3HZ LYS 70 -0.529 -21.772 -19.720 1259 H THR 71 H THR 71 -1.235 -19.992 -14.415 1260 HA THR 71 HA THR 71 -1.004 -18.245 -16.769 1261 HB THR 71 HB THR 71 -3.030 -19.563 -16.257 1262 HG1 THR 71 HG1 THR 71 -4.505 -17.772 -16.338 1263 1HG2 THR 71 1HG2 THR 71 -2.532 -18.943 -13.651 1264 2HG2 THR 71 2HG2 THR 71 -4.083 -19.539 -14.239 1265 3HG2 THR 71 3HG2 THR 71 -3.830 -17.809 -14.018 1266 H ILE 72 H ILE 72 -1.006 -17.921 -13.257 1267 HA ILE 72 HA ILE 72 -1.075 -14.956 -13.442 1268 HB ILE 72 HB ILE 72 -0.829 -16.747 -11.010 1269 1HG1 ILE 72 1HG1 ILE 72 -2.762 -17.392 -12.491 1270 2HG1 ILE 72 2HG1 ILE 72 -3.256 -16.786 -10.910 1271 1HG2 ILE 72 1HG2 ILE 72 -1.226 -13.881 -11.524 1272 2HG2 ILE 72 2HG2 ILE 72 -0.693 -14.694 -10.052 1273 3HG2 ILE 72 3HG2 ILE 72 -2.414 -14.565 -10.415 1274 1HD1 ILE 72 1HD1 ILE 72 -3.982 -14.736 -11.774 1275 2HD1 ILE 72 2HD1 ILE 72 -4.445 -15.858 -13.053 1276 3HD1 ILE 72 3HD1 ILE 72 -2.986 -14.883 -13.221 1277 H THR 73 H THR 73 0.954 -14.234 -14.127 1278 HA THR 73 HA THR 73 3.402 -15.443 -12.954 1279 HB THR 73 HB THR 73 2.978 -13.300 -15.063 1280 HG1 THR 73 HG1 THR 73 2.414 -14.937 -16.223 1281 1HG2 THR 73 1HG2 THR 73 5.389 -14.718 -15.443 1282 2HG2 THR 73 2HG2 THR 73 5.325 -14.320 -13.727 1283 3HG2 THR 73 3HG2 THR 73 5.206 -13.040 -14.933 1284 H VAL 74 H VAL 74 5.015 -14.034 -11.932 1285 HA VAL 74 HA VAL 74 4.031 -11.362 -11.046 1286 HB VAL 74 HB VAL 74 3.349 -13.253 -9.483 1287 1HG1 VAL 74 1HG1 VAL 74 5.794 -14.258 -9.919 1288 2HG1 VAL 74 2HG1 VAL 74 4.925 -14.553 -8.413 1289 3HG1 VAL 74 3HG1 VAL 74 6.162 -13.299 -8.486 1290 1HG2 VAL 74 1HG2 VAL 74 4.920 -11.880 -7.590 1291 2HG2 VAL 74 2HG2 VAL 74 3.272 -11.488 -8.081 1292 3HG2 VAL 74 3HG2 VAL 74 4.639 -10.724 -8.891 1293 H SER 75 H SER 75 5.762 -10.016 -10.183 1294 HA SER 75 HA SER 75 8.542 -11.009 -10.668 1295 1HB SER 75 1HB SER 75 6.971 -8.997 -12.108 1296 2HB SER 75 2HB SER 75 8.505 -8.360 -11.524 1297 HG SER 75 HG SER 75 9.177 -10.635 -12.436 1298 H THR 76 H THR 76 10.072 -9.031 -9.890 1299 HA THR 76 HA THR 76 9.088 -8.302 -7.159 1300 HB THR 76 HB THR 76 11.586 -8.090 -6.756 1301 HG1 THR 76 HG1 THR 76 11.900 -9.484 -9.165 1302 1HG2 THR 76 1HG2 THR 76 10.478 -10.130 -6.109 1303 2HG2 THR 76 2HG2 THR 76 11.977 -10.580 -6.920 1304 3HG2 THR 76 3HG2 THR 76 10.440 -10.700 -7.778 1305 H GLY 77 H GLY 77 10.130 -6.200 -6.330 1306 1HA GLY 77 1HA GLY 77 10.860 -4.167 -8.278 1307 2HA GLY 77 2HA GLY 77 9.219 -3.948 -7.664 1308 H PHE 78 H PHE 78 10.531 -1.877 -6.928 1309 HA PHE 78 HA PHE 78 11.223 -2.331 -4.069 1310 1HB PHE 78 1HB PHE 78 12.989 -1.214 -6.244 1311 2HB PHE 78 2HB PHE 78 13.251 -0.779 -4.555 1312 HD1 PHE 78 HD1 PHE 78 14.181 -3.042 -7.048 1313 HD2 PHE 78 HD2 PHE 78 13.108 -2.911 -2.890 1314 HE1 PHE 78 HE1 PHE 78 15.361 -5.192 -6.676 1315 HE2 PHE 78 HE2 PHE 78 14.289 -5.061 -2.518 1316 HZ PHE 78 HZ PHE 78 15.415 -6.202 -4.411 1317 H MET 79 H MET 79 10.598 -0.592 -2.784 1318 HA MET 79 HA MET 79 9.548 1.833 -4.205 1319 1HB MET 79 1HB MET 79 8.562 0.473 -1.674 1320 2HB MET 79 2HB MET 79 7.807 1.854 -2.468 1321 1HG MET 79 1HG MET 79 8.227 -0.832 -3.806 1322 2HG MET 79 2HG MET 79 6.724 -0.352 -3.018 1323 1HE MET 79 1HE MET 79 4.975 2.002 -4.968 1324 2HE MET 79 2HE MET 79 5.444 1.410 -3.377 1325 3HE MET 79 3HE MET 79 6.191 2.872 -4.037 1326 H SER 80 H SER 80 9.735 3.842 -2.958 1327 HA SER 80 HA SER 80 11.698 3.729 -0.699 1328 1HB SER 80 1HB SER 80 12.344 4.401 -3.266 1329 2HB SER 80 2HB SER 80 11.902 5.978 -2.618 1330 HG SER 80 HG SER 80 14.138 4.607 -2.241 1331 H ILE 81 H ILE 81 10.283 4.402 0.927 1332 HA ILE 81 HA ILE 81 9.237 7.171 0.712 1333 HB ILE 81 HB ILE 81 6.985 6.255 1.517 1334 1HG1 ILE 81 1HG1 ILE 81 8.199 3.667 0.496 1335 2HG1 ILE 81 2HG1 ILE 81 7.881 4.029 2.193 1336 1HG2 ILE 81 1HG2 ILE 81 7.542 6.981 -0.851 1337 2HG2 ILE 81 2HG2 ILE 81 6.235 5.803 -0.722 1338 3HG2 ILE 81 3HG2 ILE 81 7.846 5.282 -1.219 1339 1HD1 ILE 81 1HD1 ILE 81 5.558 4.516 0.479 1340 2HD1 ILE 81 2HD1 ILE 81 5.673 3.595 1.978 1341 3HD1 ILE 81 3HD1 ILE 81 6.093 2.836 0.443 Start of MODEL 6 1 1H MET 1 1H MET 1 15.569 2.726 -13.494 2 2H MET 1 2H MET 1 15.413 1.757 -14.881 3 3H MET 1 3H MET 1 16.154 1.134 -13.485 4 HA MET 1 HA MET 1 13.821 0.345 -13.831 5 1HB MET 1 1HB MET 1 15.135 1.605 -11.514 6 2HB MET 1 2HB MET 1 13.391 1.409 -11.326 7 1HG MET 1 1HG MET 1 13.561 -0.839 -11.132 8 2HG MET 1 2HG MET 1 14.673 -0.950 -12.497 9 1HE MET 1 1HE MET 1 15.033 1.453 -9.630 10 2HE MET 1 2HE MET 1 14.416 0.114 -8.664 11 3HE MET 1 3HE MET 1 16.080 0.673 -8.446 12 H THR 2 H THR 2 11.579 0.951 -13.732 13 HA THR 2 HA THR 2 10.951 3.556 -14.837 14 HB THR 2 HB THR 2 9.424 1.158 -13.825 15 HG1 THR 2 HG1 THR 2 10.579 1.585 -15.998 16 1HG2 THR 2 1HG2 THR 2 7.833 2.768 -13.297 17 2HG2 THR 2 2HG2 THR 2 8.392 3.877 -14.550 18 3HG2 THR 2 3HG2 THR 2 7.446 2.455 -14.989 19 HA PRO 3 HA PRO 3 10.634 5.429 -10.808 20 1HB PRO 3 1HB PRO 3 10.087 7.967 -11.658 21 2HB PRO 3 2HB PRO 3 11.722 7.278 -11.673 22 1HG PRO 3 1HG PRO 3 9.814 7.669 -13.905 23 2HG PRO 3 2HG PRO 3 11.580 7.775 -13.893 24 1HD PRO 3 1HD PRO 3 10.135 5.630 -14.847 25 2HD PRO 3 2HD PRO 3 11.828 5.565 -14.334 26 H ILE 4 H ILE 4 8.852 6.219 -9.522 27 HA ILE 4 HA ILE 4 6.207 6.478 -10.879 28 HB ILE 4 HB ILE 4 5.385 4.903 -8.967 29 1HG1 ILE 4 1HG1 ILE 4 7.934 3.473 -9.082 30 2HG1 ILE 4 2HG1 ILE 4 8.083 5.043 -8.289 31 1HG2 ILE 4 1HG2 ILE 4 5.098 3.851 -10.968 32 2HG2 ILE 4 2HG2 ILE 4 6.706 4.289 -11.542 33 3HG2 ILE 4 3HG2 ILE 4 6.502 2.915 -10.456 34 1HD1 ILE 4 1HD1 ILE 4 7.163 2.728 -7.083 35 2HD1 ILE 4 2HD1 ILE 4 6.894 4.366 -6.487 36 3HD1 ILE 4 3HD1 ILE 4 5.672 3.580 -7.486 37 H VAL 5 H VAL 5 4.511 7.043 -9.058 38 HA VAL 5 HA VAL 5 5.728 8.620 -6.844 39 HB VAL 5 HB VAL 5 4.098 10.499 -7.644 40 1HG1 VAL 5 1HG1 VAL 5 6.159 10.467 -9.679 41 2HG1 VAL 5 2HG1 VAL 5 6.024 11.492 -8.249 42 3HG1 VAL 5 3HG1 VAL 5 6.808 9.917 -8.133 43 1HG2 VAL 5 1HG2 VAL 5 3.038 8.942 -9.355 44 2HG2 VAL 5 2HG2 VAL 5 3.567 10.499 -9.991 45 3HG2 VAL 5 3HG2 VAL 5 4.539 9.054 -10.272 46 H HIS 6 H HIS 6 4.519 8.304 -5.014 47 HA HIS 6 HA HIS 6 1.772 7.164 -5.325 48 1HB HIS 6 1HB HIS 6 4.065 6.866 -3.484 49 2HB HIS 6 2HB HIS 6 2.491 6.904 -2.688 50 HD1 HIS 6 HD1 HIS 6 2.079 4.459 -2.220 51 HD2 HIS 6 HD2 HIS 6 3.243 5.128 -6.167 52 HE1 HIS 6 HE1 HIS 6 1.825 2.247 -3.426 53 H LEU 7 H LEU 7 0.179 8.686 -5.103 54 HA LEU 7 HA LEU 7 0.684 11.036 -3.315 55 1HB LEU 7 1HB LEU 7 -1.375 10.640 -5.507 56 2HB LEU 7 2HB LEU 7 -0.946 12.161 -4.725 57 HG LEU 7 HG LEU 7 1.462 10.992 -5.702 58 1HD1 LEU 7 1HD1 LEU 7 -0.878 10.913 -7.606 59 2HD1 LEU 7 2HD1 LEU 7 0.769 11.139 -8.194 60 3HD1 LEU 7 3HD1 LEU 7 0.341 9.673 -7.313 61 1HD2 LEU 7 1HD2 LEU 7 1.782 13.161 -6.266 62 2HD2 LEU 7 2HD2 LEU 7 0.349 13.176 -7.294 63 3HD2 LEU 7 3HD2 LEU 7 0.195 13.472 -5.563 64 H LYS 8 H LYS 8 -0.779 11.459 -1.642 65 HA LYS 8 HA LYS 8 -3.181 9.694 -1.410 66 1HB LYS 8 1HB LYS 8 -1.170 8.741 -0.228 67 2HB LYS 8 2HB LYS 8 -1.138 10.191 0.777 68 1HG LYS 8 1HG LYS 8 -3.334 9.705 1.666 69 2HG LYS 8 2HG LYS 8 -3.544 8.365 0.538 70 1HD LYS 8 1HD LYS 8 -2.909 7.467 2.709 71 2HD LYS 8 2HD LYS 8 -1.570 7.237 1.585 72 1HE LYS 8 1HE LYS 8 -0.918 9.682 2.563 73 2HE LYS 8 2HE LYS 8 -1.735 8.989 3.979 74 1HZ LYS 8 1HZ LYS 8 0.292 7.519 2.387 75 2HZ LYS 8 2HZ LYS 8 -0.363 7.078 3.890 76 3HZ LYS 8 3HZ LYS 8 0.683 8.412 3.776 77 H GLY 9 H GLY 9 -4.660 10.508 0.353 78 1HA GLY 9 1HA GLY 9 -4.610 12.774 1.846 79 2HA GLY 9 2HA GLY 9 -4.826 13.443 0.226 80 H ASP 10 H ASP 10 -6.947 14.206 1.040 81 HA ASP 10 HA ASP 10 -9.013 12.423 1.925 82 1HB ASP 10 1HB ASP 10 -8.678 15.073 1.829 83 2HB ASP 10 2HB ASP 10 -9.610 14.891 0.341 84 H ALA 11 H ALA 11 -10.419 11.141 0.755 85 HA ALA 11 HA ALA 11 -9.893 10.203 -1.825 86 1HB ALA 11 1HB ALA 11 -11.939 10.047 0.182 87 2HB ALA 11 2HB ALA 11 -12.711 10.188 -1.396 88 3HB ALA 11 3HB ALA 11 -11.567 8.882 -1.088 89 H ASN 12 H ASN 12 -11.659 13.113 -0.881 90 HA ASN 12 HA ASN 12 -12.782 13.600 -3.532 91 1HB ASN 12 1HB ASN 12 -12.433 15.199 -0.984 92 2HB ASN 12 2HB ASN 12 -13.233 15.859 -2.412 93 1HD2 ASN 12 2HD2 ASN 12 -14.142 14.738 0.439 94 2HD2 ASN 12 1HD2 ASN 12 -15.509 13.819 0.031 95 H THR 13 H THR 13 -10.084 14.987 -1.635 96 HA THR 13 HA THR 13 -9.197 16.904 -3.526 97 HB THR 13 HB THR 13 -7.647 15.214 -1.535 98 HG1 THR 13 HG1 THR 13 -9.568 16.649 -0.964 99 1HG2 THR 13 1HG2 THR 13 -6.106 17.179 -1.506 100 2HG2 THR 13 2HG2 THR 13 -6.137 16.355 -3.065 101 3HG2 THR 13 3HG2 THR 13 -7.015 17.869 -2.851 102 H LEU 14 H LEU 14 -9.118 13.474 -3.705 103 HA LEU 14 HA LEU 14 -6.787 13.347 -5.508 104 1HB LEU 14 1HB LEU 14 -8.722 11.471 -4.194 105 2HB LEU 14 2HB LEU 14 -7.801 10.892 -5.583 106 HG LEU 14 HG LEU 14 -6.509 12.249 -3.207 107 1HD1 LEU 14 1HD1 LEU 14 -7.424 9.454 -3.599 108 2HD1 LEU 14 2HD1 LEU 14 -5.782 9.646 -2.981 109 3HD1 LEU 14 3HD1 LEU 14 -7.143 10.348 -2.106 110 1HD2 LEU 14 1HD2 LEU 14 -5.350 10.404 -5.313 111 2HD2 LEU 14 2HD2 LEU 14 -5.327 12.162 -5.448 112 3HD2 LEU 14 3HD2 LEU 14 -4.464 11.367 -4.132 113 H LYS 15 H LYS 15 -10.337 13.087 -5.724 114 HA LYS 15 HA LYS 15 -10.537 12.296 -8.452 115 1HB LYS 15 1HB LYS 15 -12.408 12.262 -6.902 116 2HB LYS 15 2HB LYS 15 -12.292 14.006 -6.663 117 1HG LYS 15 1HG LYS 15 -13.059 14.474 -8.854 118 2HG LYS 15 2HG LYS 15 -12.754 12.826 -9.403 119 1HD LYS 15 1HD LYS 15 -14.826 13.595 -7.325 120 2HD LYS 15 2HD LYS 15 -15.179 13.263 -9.022 121 1HE LYS 15 1HE LYS 15 -13.810 11.017 -8.462 122 2HE LYS 15 2HE LYS 15 -14.446 11.365 -6.841 123 1HZ LYS 15 1HZ LYS 15 -16.268 11.738 -9.086 124 2HZ LYS 15 2HZ LYS 15 -16.581 11.159 -7.519 125 3HZ LYS 15 3HZ LYS 15 -15.889 10.135 -8.683 126 H CYS 16 H CYS 16 -10.177 15.506 -6.968 127 HA CYS 16 HA CYS 16 -10.557 17.021 -9.397 128 1HB CYS 16 1HB CYS 16 -10.673 17.701 -6.905 129 2HB CYS 16 2HB CYS 16 -8.916 17.826 -6.991 130 HG CYS 16 HG CYS 16 -10.361 19.391 -9.200 131 H LEU 17 H LEU 17 -7.684 15.677 -7.773 132 HA LEU 17 HA LEU 17 -5.666 16.950 -9.316 133 1HB LEU 17 1HB LEU 17 -5.951 14.319 -7.867 134 2HB LEU 17 2HB LEU 17 -4.454 14.715 -8.714 135 HG LEU 17 HG LEU 17 -5.680 16.684 -6.794 136 1HD1 LEU 17 1HD1 LEU 17 -4.717 14.071 -6.113 137 2HD1 LEU 17 2HD1 LEU 17 -3.551 15.262 -5.537 138 3HD1 LEU 17 3HD1 LEU 17 -5.237 15.360 -5.028 139 1HD2 LEU 17 1HD2 LEU 17 -3.327 16.498 -8.436 140 2HD2 LEU 17 2HD2 LEU 17 -3.847 17.838 -7.413 141 3HD2 LEU 17 3HD2 LEU 17 -2.837 16.557 -6.743 142 H ARG 18 H ARG 18 -7.298 13.814 -9.871 143 HA ARG 18 HA ARG 18 -6.021 12.946 -12.198 144 1HB ARG 18 1HB ARG 18 -7.777 11.728 -10.977 145 2HB ARG 18 2HB ARG 18 -8.976 12.912 -11.498 146 1HG ARG 18 1HG ARG 18 -8.372 12.320 -13.889 147 2HG ARG 18 2HG ARG 18 -7.422 10.982 -13.239 148 1HD ARG 18 1HD ARG 18 -10.237 11.240 -12.265 149 2HD ARG 18 2HD ARG 18 -9.991 10.647 -13.920 150 HE ARG 18 HE ARG 18 -8.355 8.982 -12.874 151 1HH1 ARG 18 2HH1 ARG 18 -11.474 9.569 -11.834 152 2HH1 ARG 18 1HH1 ARG 18 -11.335 8.704 -10.339 153 1HH2 ARG 18 1HH2 ARG 18 -7.908 8.248 -10.617 154 2HH2 ARG 18 2HH2 ARG 18 -9.316 7.956 -9.650 155 H TYR 19 H TYR 19 -8.534 15.435 -11.885 156 HA TYR 19 HA TYR 19 -9.038 15.844 -14.673 157 1HB TYR 19 1HB TYR 19 -10.552 16.654 -13.008 158 2HB TYR 19 2HB TYR 19 -9.272 17.535 -12.175 159 HD1 TYR 19 HD1 TYR 19 -11.661 17.573 -14.933 160 HD2 TYR 19 HD2 TYR 19 -8.271 19.574 -13.209 161 HE1 TYR 19 HE1 TYR 19 -12.145 19.580 -16.310 162 HE2 TYR 19 HE2 TYR 19 -8.755 21.580 -14.587 163 HH TYR 19 HH TYR 19 -11.464 22.310 -15.882 164 H ARG 20 H ARG 20 -6.537 17.098 -12.508 165 HA ARG 20 HA ARG 20 -5.603 19.200 -14.262 166 1HB ARG 20 1HB ARG 20 -4.364 17.622 -11.986 167 2HB ARG 20 2HB ARG 20 -3.601 19.033 -12.720 168 1HG ARG 20 1HG ARG 20 -6.394 19.531 -12.023 169 2HG ARG 20 2HG ARG 20 -5.426 19.079 -10.619 170 1HD ARG 20 1HD ARG 20 -3.739 20.819 -11.273 171 2HD ARG 20 2HD ARG 20 -4.834 21.331 -12.573 172 HE ARG 20 HE ARG 20 -5.904 21.207 -9.798 173 1HH1 ARG 20 1HH2 ARG 20 -4.036 23.364 -11.478 174 2HH1 ARG 20 2HH2 ARG 20 -5.183 24.661 -11.478 175 1HH2 ARG 20 2HH1 ARG 20 -7.786 22.710 -10.274 176 2HH2 ARG 20 1HH1 ARG 20 -7.306 24.291 -10.795 177 H PHE 21 H PHE 21 -4.909 15.752 -13.960 178 HA PHE 21 HA PHE 21 -2.494 15.692 -15.519 179 1HB PHE 21 1HB PHE 21 -4.636 13.569 -15.190 180 2HB PHE 21 2HB PHE 21 -2.931 13.300 -15.548 181 HD1 PHE 21 HD1 PHE 21 -2.310 15.817 -13.565 182 HD2 PHE 21 HD2 PHE 21 -4.273 12.011 -13.213 183 HE1 PHE 21 HE1 PHE 21 -1.801 15.779 -11.137 184 HE2 PHE 21 HE2 PHE 21 -3.765 11.974 -10.785 185 HZ PHE 21 HZ PHE 21 -2.530 13.858 -9.748 186 H LYS 22 H LYS 22 -5.811 16.131 -16.395 187 HA LYS 22 HA LYS 22 -5.823 15.006 -19.027 188 1HB LYS 22 1HB LYS 22 -7.281 17.396 -17.850 189 2HB LYS 22 2HB LYS 22 -7.762 16.527 -19.307 190 1HG LYS 22 1HG LYS 22 -7.425 15.142 -16.642 191 2HG LYS 22 2HG LYS 22 -8.960 15.847 -17.153 192 1HD LYS 22 1HD LYS 22 -9.331 14.235 -18.729 193 2HD LYS 22 2HD LYS 22 -7.620 14.103 -19.144 194 1HE LYS 22 1HE LYS 22 -7.267 12.928 -16.919 195 2HE LYS 22 2HE LYS 22 -9.033 12.873 -16.757 196 1HZ LYS 22 1HZ LYS 22 -9.226 11.703 -18.796 197 2HZ LYS 22 2HZ LYS 22 -8.036 10.897 -17.892 198 3HZ LYS 22 3HZ LYS 22 -7.586 11.924 -19.167 199 H LYS 23 H LYS 23 -4.690 18.120 -17.779 200 HA LYS 23 HA LYS 23 -4.310 19.345 -20.389 201 1HB LYS 23 1HB LYS 23 -3.417 19.888 -17.553 202 2HB LYS 23 2HB LYS 23 -2.913 20.921 -18.892 203 1HG LYS 23 1HG LYS 23 -5.745 20.436 -19.080 204 2HG LYS 23 2HG LYS 23 -5.359 21.027 -17.463 205 1HD LYS 23 1HD LYS 23 -3.807 22.666 -19.012 206 2HD LYS 23 2HD LYS 23 -5.202 22.420 -20.061 207 1HE LYS 23 1HE LYS 23 -5.644 24.356 -18.644 208 2HE LYS 23 2HE LYS 23 -6.678 23.025 -18.086 209 1HZ LYS 23 1HZ LYS 23 -3.960 23.269 -17.002 210 2HZ LYS 23 2HZ LYS 23 -5.352 22.616 -16.281 211 3HZ LYS 23 3HZ LYS 23 -5.163 24.300 -16.400 212 H HIS 24 H HIS 24 -2.608 16.950 -18.654 213 HA HIS 24 HA HIS 24 -0.303 17.215 -20.526 214 1HB HIS 24 1HB HIS 24 0.166 16.659 -17.605 215 2HB HIS 24 2HB HIS 24 1.270 17.351 -18.792 216 HD1 HIS 24 HD1 HIS 24 0.165 19.789 -19.816 217 HD2 HIS 24 HD2 HIS 24 -0.760 18.628 -15.920 218 HE1 HIS 24 HE1 HIS 24 -0.614 21.876 -18.611 219 H CYS 25 H CYS 25 -2.372 15.326 -20.706 220 HA CYS 25 HA CYS 25 -2.036 12.884 -19.313 221 1HB CYS 25 1HB CYS 25 -3.945 13.291 -20.704 222 2HB CYS 25 2HB CYS 25 -2.931 13.597 -22.116 223 HG CYS 25 HG CYS 25 -3.389 11.177 -22.544 224 H THR 26 H THR 26 0.066 14.397 -21.585 225 HA THR 26 HA THR 26 1.386 11.839 -22.326 226 HB THR 26 HB THR 26 2.778 13.644 -23.653 227 HG1 THR 26 HG1 THR 26 1.494 15.517 -23.981 228 1HG2 THR 26 1HG2 THR 26 1.483 13.032 -25.408 229 2HG2 THR 26 2HG2 THR 26 0.573 12.091 -24.227 230 3HG2 THR 26 3HG2 THR 26 0.027 13.706 -24.677 231 H LEU 27 H LEU 27 1.473 13.416 -19.595 232 HA LEU 27 HA LEU 27 4.386 13.936 -19.381 233 1HB LEU 27 1HB LEU 27 1.890 14.583 -17.952 234 2HB LEU 27 2HB LEU 27 3.255 14.246 -16.887 235 HG LEU 27 HG LEU 27 4.618 15.913 -18.050 236 1HD1 LEU 27 1HD1 LEU 27 3.057 17.402 -19.666 237 2HD1 LEU 27 2HD1 LEU 27 4.028 16.058 -20.266 238 3HD1 LEU 27 3HD1 LEU 27 2.312 15.827 -19.933 239 1HD2 LEU 27 1HD2 LEU 27 2.776 17.888 -17.729 240 2HD2 LEU 27 2HD2 LEU 27 1.992 16.581 -16.842 241 3HD2 LEU 27 3HD2 LEU 27 3.609 17.112 -16.383 242 H TYR 28 H TYR 28 1.934 11.637 -18.234 243 HA TYR 28 HA TYR 28 4.091 10.065 -16.875 244 1HB TYR 28 1HB TYR 28 2.020 8.956 -15.832 245 2HB TYR 28 2HB TYR 28 2.309 10.639 -15.394 246 HD1 TYR 28 HD1 TYR 28 0.773 12.364 -15.995 247 HD2 TYR 28 HD2 TYR 28 0.329 8.410 -17.620 248 HE1 TYR 28 HE1 TYR 28 -1.456 12.982 -16.892 249 HE2 TYR 28 HE2 TYR 28 -1.900 9.029 -18.517 250 HH TYR 28 HH TYR 28 -3.320 10.714 -18.896 251 H THR 29 H THR 29 3.622 7.589 -17.027 252 HA THR 29 HA THR 29 3.200 6.950 -19.904 253 HB THR 29 HB THR 29 4.394 5.401 -17.585 254 HG1 THR 29 HG1 THR 29 5.719 6.526 -19.803 255 1HG2 THR 29 1HG2 THR 29 3.524 4.552 -20.176 256 2HG2 THR 29 2HG2 THR 29 5.286 4.501 -20.136 257 3HG2 THR 29 3HG2 THR 29 4.351 3.608 -18.936 258 H ALA 30 H ALA 30 1.906 6.154 -16.687 259 HA ALA 30 HA ALA 30 -0.502 5.035 -17.961 260 1HB ALA 30 1HB ALA 30 0.956 3.130 -18.072 261 2HB ALA 30 2HB ALA 30 1.509 3.383 -16.417 262 3HB ALA 30 3HB ALA 30 -0.141 2.841 -16.721 263 H VAL 31 H VAL 31 -2.120 5.877 -16.724 264 HA VAL 31 HA VAL 31 -1.634 6.599 -13.897 265 HB VAL 31 HB VAL 31 -2.802 8.111 -15.473 266 1HG1 VAL 31 1HG1 VAL 31 -5.272 6.516 -15.537 267 2HG1 VAL 31 2HG1 VAL 31 -4.486 7.421 -16.830 268 3HG1 VAL 31 3HG1 VAL 31 -3.942 5.790 -16.438 269 1HG2 VAL 31 1HG2 VAL 31 -5.126 7.461 -13.850 270 2HG2 VAL 31 2HG2 VAL 31 -3.643 7.372 -12.899 271 3HG2 VAL 31 3HG2 VAL 31 -4.056 8.860 -13.751 272 H SER 32 H SER 32 -1.918 4.972 -12.404 273 HA SER 32 HA SER 32 -3.612 2.646 -12.997 274 1HB SER 32 1HB SER 32 -1.380 3.297 -11.405 275 2HB SER 32 2HB SER 32 -2.664 2.883 -10.271 276 HG SER 32 HG SER 32 -1.183 1.229 -11.618 277 H SER 33 H SER 33 -5.466 2.042 -11.742 278 HA SER 33 HA SER 33 -7.310 4.117 -11.092 279 1HB SER 33 1HB SER 33 -8.680 2.270 -10.353 280 2HB SER 33 2HB SER 33 -7.724 1.693 -11.717 281 HG SER 33 HG SER 33 -6.211 0.906 -10.110 282 H THR 34 H THR 34 -8.268 4.472 -8.886 283 HA THR 34 HA THR 34 -6.263 5.182 -6.943 284 HB THR 34 HB THR 34 -9.212 4.807 -6.417 285 HG1 THR 34 HG1 THR 34 -9.242 7.044 -7.337 286 1HG2 THR 34 1HG2 THR 34 -7.275 5.753 -4.816 287 2HG2 THR 34 2HG2 THR 34 -7.662 7.239 -5.684 288 3HG2 THR 34 3HG2 THR 34 -8.918 6.392 -4.784 289 H TRP 35 H TRP 35 -5.314 3.832 -5.426 290 HA TRP 35 HA TRP 35 -6.865 1.529 -4.371 291 1HB TRP 35 1HB TRP 35 -5.160 -0.013 -5.013 292 2HB TRP 35 2HB TRP 35 -5.410 0.992 -6.437 293 HD1 TRP 35 HD1 TRP 35 -3.719 3.454 -6.024 294 HE1 TRP 35 HE1 TRP 35 -1.166 3.374 -5.731 295 HE3 TRP 35 HE3 TRP 35 -3.153 -1.399 -4.522 296 HZ2 TRP 35 HZ2 TRP 35 0.856 1.505 -4.970 297 HZ3 TRP 35 HZ3 TRP 35 -0.895 -2.299 -4.031 298 HH2 TRP 35 HH2 TRP 35 1.106 -0.856 -4.250 299 H HIS 36 H HIS 36 -5.729 0.638 -2.380 300 HA HIS 36 HA HIS 36 -3.595 2.275 -1.198 301 1HB HIS 36 1HB HIS 36 -5.057 3.084 0.645 302 2HB HIS 36 2HB HIS 36 -5.588 3.684 -0.926 303 HD1 HIS 36 HD1 HIS 36 -8.084 3.687 -0.875 304 HD2 HIS 36 HD2 HIS 36 -6.516 0.218 0.826 305 HE1 HIS 36 HE1 HIS 36 -10.062 2.213 -0.302 306 H TRP 37 H TRP 37 -3.509 1.609 1.308 307 HA TRP 37 HA TRP 37 -3.193 -1.297 1.356 308 1HB TRP 37 1HB TRP 37 -2.912 0.805 3.527 309 2HB TRP 37 2HB TRP 37 -2.222 -0.818 3.553 310 HD1 TRP 37 HD1 TRP 37 -1.097 2.495 3.017 311 HE1 TRP 37 HE1 TRP 37 0.925 2.621 1.421 312 HE3 TRP 37 HE3 TRP 37 -1.368 -2.140 0.892 313 HZ2 TRP 37 HZ2 TRP 37 2.251 0.969 -0.504 314 HZ3 TRP 37 HZ3 TRP 37 0.284 -2.839 -0.819 315 HH2 TRP 37 HH2 TRP 37 2.092 -1.291 -1.519 316 H THR 38 H THR 38 -4.745 -2.717 2.042 317 HA THR 38 HA THR 38 -6.408 -2.338 4.328 318 HB THR 38 HB THR 38 -7.182 -0.685 2.335 319 HG1 THR 38 HG1 THR 38 -8.743 -0.364 3.690 320 1HG2 THR 38 1HG2 THR 38 -8.863 -3.174 1.932 321 2HG2 THR 38 2HG2 THR 38 -9.057 -1.626 1.109 322 3HG2 THR 38 3HG2 THR 38 -7.627 -2.614 0.805 323 H GLY 39 H GLY 39 -7.747 -4.217 4.702 324 1HA GLY 39 1HA GLY 39 -6.891 -6.572 3.179 325 2HA GLY 39 2HA GLY 39 -7.932 -6.581 4.603 326 H HIS 40 H HIS 40 -9.921 -4.778 3.715 327 HA HIS 40 HA HIS 40 -10.947 -5.718 1.120 328 1HB HIS 40 1HB HIS 40 -11.351 -7.519 2.895 329 2HB HIS 40 2HB HIS 40 -12.458 -6.379 3.660 330 HD1 HIS 40 HD1 HIS 40 -14.800 -6.856 2.981 331 HD2 HIS 40 HD2 HIS 40 -12.138 -7.560 -0.149 332 HE1 HIS 40 HE1 HIS 40 -16.200 -7.585 1.001 333 H ASN 41 H ASN 41 -13.351 -4.832 0.937 334 HA ASN 41 HA ASN 41 -13.345 -2.021 1.164 335 1HB ASN 41 1HB ASN 41 -15.520 -4.118 1.002 336 2HB ASN 41 2HB ASN 41 -15.886 -2.394 0.938 337 1HD2 ASN 41 2HD2 ASN 41 -13.996 -1.282 -0.661 338 2HD2 ASN 41 1HD2 ASN 41 -13.939 -2.028 -2.185 339 H VAL 42 H VAL 42 -12.589 -1.573 3.377 340 HA VAL 42 HA VAL 42 -14.731 -1.952 5.445 341 HB VAL 42 HB VAL 42 -12.912 -2.148 7.056 342 1HG1 VAL 42 1HG1 VAL 42 -12.617 -4.315 6.511 343 2HG1 VAL 42 2HG1 VAL 42 -13.421 -3.963 4.981 344 3HG1 VAL 42 3HG1 VAL 42 -11.662 -3.888 5.091 345 1HG2 VAL 42 1HG2 VAL 42 -10.561 -2.021 6.327 346 2HG2 VAL 42 2HG2 VAL 42 -11.083 -1.652 4.683 347 3HG2 VAL 42 3HG2 VAL 42 -11.395 -0.505 5.987 348 H LYS 43 H LYS 43 -12.697 0.261 3.734 349 HA LYS 43 HA LYS 43 -13.892 2.528 5.249 350 1HB LYS 43 1HB LYS 43 -11.046 1.650 5.174 351 2HB LYS 43 2HB LYS 43 -11.335 3.385 5.048 352 1HG LYS 43 1HG LYS 43 -12.819 1.859 7.150 353 2HG LYS 43 2HG LYS 43 -11.112 2.211 7.423 354 1HD LYS 43 1HD LYS 43 -12.514 4.538 6.387 355 2HD LYS 43 2HD LYS 43 -13.255 3.952 7.877 356 1HE LYS 43 1HE LYS 43 -10.811 3.829 8.784 357 2HE LYS 43 2HE LYS 43 -10.433 4.919 7.434 358 1HZ LYS 43 1HZ LYS 43 -11.143 6.064 9.528 359 2HZ LYS 43 2HZ LYS 43 -12.682 5.374 9.316 360 3HZ LYS 43 3HZ LYS 43 -12.065 6.455 8.160 361 H HIS 44 H HIS 44 -14.463 4.146 3.824 362 HA HIS 44 HA HIS 44 -13.525 3.893 1.004 363 1HB HIS 44 1HB HIS 44 -15.555 5.009 0.462 364 2HB HIS 44 2HB HIS 44 -15.984 3.935 1.793 365 HD1 HIS 44 HD1 HIS 44 -17.294 6.824 1.001 366 HD2 HIS 44 HD2 HIS 44 -14.756 5.990 4.203 367 HE1 HIS 44 HE1 HIS 44 -17.700 8.633 2.727 368 H LYS 45 H LYS 45 -12.530 5.496 3.689 369 HA LYS 45 HA LYS 45 -12.239 8.201 2.593 370 1HB LYS 45 1HB LYS 45 -12.522 7.879 4.970 371 2HB LYS 45 2HB LYS 45 -11.186 6.729 5.025 372 1HG LYS 45 1HG LYS 45 -9.625 8.532 4.340 373 2HG LYS 45 2HG LYS 45 -10.965 9.677 4.350 374 1HD LYS 45 1HD LYS 45 -11.183 9.614 6.670 375 2HD LYS 45 2HD LYS 45 -10.429 8.025 6.799 376 1HE LYS 45 1HE LYS 45 -8.691 9.399 7.556 377 2HE LYS 45 2HE LYS 45 -8.315 9.329 5.822 378 1HZ LYS 45 1HZ LYS 45 -9.950 11.404 7.187 379 2HZ LYS 45 2HZ LYS 45 -9.715 11.304 5.507 380 3HZ LYS 45 3HZ LYS 45 -8.399 11.621 6.535 381 H SER 46 H SER 46 -9.847 5.727 3.627 382 HA SER 46 HA SER 46 -7.507 6.809 2.637 383 1HB SER 46 1HB SER 46 -7.827 3.979 1.935 384 2HB SER 46 2HB SER 46 -6.750 4.721 3.113 385 HG SER 46 HG SER 46 -8.101 4.091 4.580 386 H ALA 47 H ALA 47 -6.438 6.814 0.588 387 HA ALA 47 HA ALA 47 -7.493 5.627 -1.806 388 1HB ALA 47 1HB ALA 47 -8.256 8.482 -1.137 389 2HB ALA 47 2HB ALA 47 -8.323 7.843 -2.780 390 3HB ALA 47 3HB ALA 47 -9.335 7.140 -1.517 391 H ILE 48 H ILE 48 -5.705 5.521 -3.109 392 HA ILE 48 HA ILE 48 -3.844 7.855 -3.198 393 HB ILE 48 HB ILE 48 -3.303 4.999 -2.393 394 1HG1 ILE 48 1HG1 ILE 48 -2.075 7.523 -1.297 395 2HG1 ILE 48 2HG1 ILE 48 -3.699 7.036 -0.811 396 1HG2 ILE 48 1HG2 ILE 48 -1.497 5.015 -3.769 397 2HG2 ILE 48 2HG2 ILE 48 -1.612 6.752 -4.047 398 3HG2 ILE 48 3HG2 ILE 48 -0.808 6.142 -2.600 399 1HD1 ILE 48 1HD1 ILE 48 -2.007 4.733 -0.689 400 2HD1 ILE 48 2HD1 ILE 48 -1.205 6.051 0.166 401 3HD1 ILE 48 3HD1 ILE 48 -2.830 5.554 0.637 402 H VAL 49 H VAL 49 -2.766 8.049 -5.209 403 HA VAL 49 HA VAL 49 -3.552 6.059 -7.317 404 HB VAL 49 HB VAL 49 -3.193 9.059 -7.589 405 1HG1 VAL 49 1HG1 VAL 49 -3.149 8.479 -9.776 406 2HG1 VAL 49 2HG1 VAL 49 -3.691 6.836 -9.436 407 3HG1 VAL 49 3HG1 VAL 49 -4.870 8.139 -9.587 408 1HG2 VAL 49 1HG2 VAL 49 -5.851 7.652 -7.645 409 2HG2 VAL 49 2HG2 VAL 49 -5.143 8.115 -6.098 410 3HG2 VAL 49 3HG2 VAL 49 -5.499 9.347 -7.308 411 H THR 50 H THR 50 -1.732 5.066 -8.095 412 HA THR 50 HA THR 50 0.913 6.382 -7.783 413 HB THR 50 HB THR 50 -0.071 3.620 -8.540 414 HG1 THR 50 HG1 THR 50 0.990 3.119 -6.588 415 1HG2 THR 50 1HG2 THR 50 1.881 3.817 -9.850 416 2HG2 THR 50 2HG2 THR 50 2.700 4.801 -8.638 417 3HG2 THR 50 3HG2 THR 50 2.454 3.078 -8.355 418 H LEU 51 H LEU 51 2.310 6.711 -9.620 419 HA LEU 51 HA LEU 51 1.029 6.443 -12.309 420 1HB LEU 51 1HB LEU 51 1.793 8.844 -10.786 421 2HB LEU 51 2HB LEU 51 2.433 8.816 -12.429 422 HG LEU 51 HG LEU 51 -0.343 7.926 -12.329 423 1HD1 LEU 51 1HD1 LEU 51 -0.914 10.557 -12.050 424 2HD1 LEU 51 2HD1 LEU 51 -0.984 9.414 -10.708 425 3HD1 LEU 51 3HD1 LEU 51 0.442 10.427 -10.929 426 1HD2 LEU 51 1HD2 LEU 51 -0.507 9.736 -14.083 427 2HD2 LEU 51 2HD2 LEU 51 1.185 10.119 -13.762 428 3HD2 LEU 51 3HD2 LEU 51 0.745 8.536 -14.405 429 H THR 52 H THR 52 2.448 5.579 -13.779 430 HA THR 52 HA THR 52 5.286 5.211 -12.947 431 HB THR 52 HB THR 52 5.221 3.576 -14.867 432 HG1 THR 52 HG1 THR 52 3.504 3.476 -16.088 433 1HG2 THR 52 1HG2 THR 52 4.796 2.462 -12.895 434 2HG2 THR 52 2HG2 THR 52 3.411 3.477 -12.499 435 3HG2 THR 52 3HG2 THR 52 3.253 2.204 -13.706 436 H TYR 53 H TYR 53 6.954 6.233 -14.040 437 HA TYR 53 HA TYR 53 6.193 7.922 -16.398 438 1HB TYR 53 1HB TYR 53 8.070 8.264 -14.064 439 2HB TYR 53 2HB TYR 53 8.296 9.208 -15.538 440 HD1 TYR 53 HD1 TYR 53 5.773 8.329 -12.923 441 HD2 TYR 53 HD2 TYR 53 6.960 11.111 -15.975 442 HE1 TYR 53 HE1 TYR 53 3.975 9.882 -12.209 443 HE2 TYR 53 HE2 TYR 53 5.163 12.663 -15.260 444 HH TYR 53 HH TYR 53 3.673 12.556 -12.411 445 H ASP 54 H ASP 54 7.767 8.032 -18.123 446 HA ASP 54 HA ASP 54 9.331 5.549 -18.445 447 1HB ASP 54 1HB ASP 54 8.295 7.793 -20.130 448 2HB ASP 54 2HB ASP 54 9.655 6.857 -20.749 449 H SER 55 H SER 55 9.914 8.800 -17.481 450 HA SER 55 HA SER 55 12.853 8.310 -17.670 451 1HB SER 55 1HB SER 55 11.614 10.960 -18.403 452 2HB SER 55 2HB SER 55 13.212 10.344 -18.815 453 HG SER 55 HG SER 55 12.378 9.359 -20.475 454 H GLU 56 H GLU 56 14.050 9.447 -16.047 455 HA GLU 56 HA GLU 56 12.626 9.978 -13.588 456 1HB GLU 56 1HB GLU 56 15.420 10.055 -14.638 457 2HB GLU 56 2HB GLU 56 15.096 10.920 -13.135 458 1HG GLU 56 1HG GLU 56 13.793 8.624 -12.596 459 2HG GLU 56 2HG GLU 56 15.027 7.998 -13.689 460 H TRP 57 H TRP 57 14.519 12.150 -15.748 461 HA TRP 57 HA TRP 57 13.955 14.575 -14.430 462 1HB TRP 57 1HB TRP 57 14.405 15.570 -16.685 463 2HB TRP 57 2HB TRP 57 15.584 14.342 -16.229 464 HD1 TRP 57 HD1 TRP 57 12.279 14.562 -18.238 465 HE1 TRP 57 HE1 TRP 57 12.436 12.910 -20.211 466 HE3 TRP 57 HE3 TRP 57 16.843 12.478 -17.284 467 HZ2 TRP 57 HZ2 TRP 57 14.259 10.965 -21.251 468 HZ3 TRP 57 HZ3 TRP 57 17.768 10.734 -18.782 469 HH2 TRP 57 HH2 TRP 57 16.482 9.976 -20.763 470 H GLN 58 H GLN 58 11.977 12.762 -16.752 471 HA GLN 58 HA GLN 58 10.004 14.699 -17.325 472 1HB GLN 58 1HB GLN 58 10.371 12.351 -18.265 473 2HB GLN 58 2HB GLN 58 9.518 11.748 -16.845 474 1HG GLN 58 1HG GLN 58 7.493 12.779 -17.467 475 2HG GLN 58 2HG GLN 58 8.298 13.901 -18.565 476 1HE2 GLN 58 2HE2 GLN 58 6.166 11.590 -18.902 477 2HE2 GLN 58 1HE2 GLN 58 6.749 10.748 -20.256 478 H ARG 59 H ARG 59 10.300 12.531 -14.508 479 HA ARG 59 HA ARG 59 7.773 13.069 -13.298 480 1HB ARG 59 1HB ARG 59 9.359 11.289 -12.637 481 2HB ARG 59 2HB ARG 59 10.503 12.513 -12.083 482 1HG ARG 59 1HG ARG 59 8.875 13.301 -10.415 483 2HG ARG 59 2HG ARG 59 7.710 12.099 -10.973 484 1HD ARG 59 1HD ARG 59 8.938 11.322 -8.941 485 2HD ARG 59 2HD ARG 59 9.281 10.284 -10.341 486 HE ARG 59 HE ARG 59 11.092 12.574 -9.705 487 1HH1 ARG 59 1HH2 ARG 59 11.140 9.660 -8.405 488 2HH1 ARG 59 2HH2 ARG 59 12.503 9.017 -9.259 489 1HH2 ARG 59 2HH1 ARG 59 12.570 11.568 -11.608 490 2HH2 ARG 59 1HH1 ARG 59 13.313 10.098 -11.073 491 H ASP 60 H ASP 60 10.882 14.792 -13.090 492 HA ASP 60 HA ASP 60 10.170 16.686 -11.084 493 1HB ASP 60 1HB ASP 60 12.053 16.737 -13.459 494 2HB ASP 60 2HB ASP 60 12.030 17.998 -12.226 495 H GLN 61 H GLN 61 9.771 16.772 -14.628 496 HA GLN 61 HA GLN 61 8.791 19.465 -14.796 497 1HB GLN 61 1HB GLN 61 8.347 17.003 -16.515 498 2HB GLN 61 2HB GLN 61 8.000 18.657 -17.024 499 1HG GLN 61 1HG GLN 61 10.370 19.261 -16.684 500 2HG GLN 61 2HG GLN 61 10.719 17.605 -16.183 501 1HE2 GLN 61 2HE2 GLN 61 11.258 16.151 -17.834 502 2HE2 GLN 61 1HE2 GLN 61 11.023 16.442 -19.490 503 H PHE 62 H PHE 62 7.122 16.335 -14.404 504 HA PHE 62 HA PHE 62 4.443 17.200 -14.651 505 1HB PHE 62 1HB PHE 62 5.264 14.856 -14.460 506 2HB PHE 62 2HB PHE 62 5.653 15.148 -12.764 507 HD1 PHE 62 HD1 PHE 62 2.850 15.124 -15.223 508 HD2 PHE 62 HD2 PHE 62 3.988 15.011 -11.083 509 HE1 PHE 62 HE1 PHE 62 0.508 14.608 -14.595 510 HE2 PHE 62 HE2 PHE 62 1.645 14.496 -10.453 511 HZ PHE 62 HZ PHE 62 -0.096 14.294 -12.209 512 H LEU 63 H LEU 63 6.637 17.262 -11.853 513 HA LEU 63 HA LEU 63 4.792 18.125 -9.868 514 1HB LEU 63 1HB LEU 63 7.737 18.742 -10.287 515 2HB LEU 63 2HB LEU 63 6.872 18.947 -8.763 516 HG LEU 63 HG LEU 63 6.968 16.303 -10.228 517 1HD1 LEU 63 1HD1 LEU 63 9.128 17.635 -8.950 518 2HD1 LEU 63 2HD1 LEU 63 8.598 16.354 -7.860 519 3HD1 LEU 63 3HD1 LEU 63 9.073 15.965 -9.513 520 1HD2 LEU 63 1HD2 LEU 63 5.694 15.563 -8.514 521 2HD2 LEU 63 2HD2 LEU 63 6.748 16.323 -7.320 522 3HD2 LEU 63 3HD2 LEU 63 5.456 17.256 -8.076 523 H SER 64 H SER 64 6.378 19.861 -12.476 524 HA SER 64 HA SER 64 5.458 22.486 -11.421 525 1HB SER 64 1HB SER 64 6.766 23.221 -13.522 526 2HB SER 64 2HB SER 64 7.697 22.465 -12.232 527 HG SER 64 HG SER 64 8.283 21.146 -13.763 528 H GLN 65 H GLN 65 4.301 19.988 -13.363 529 HA GLN 65 HA GLN 65 2.780 21.750 -15.213 530 1HB GLN 65 1HB GLN 65 2.940 18.734 -14.899 531 2HB GLN 65 2HB GLN 65 2.181 19.583 -16.242 532 1HG GLN 65 1HG GLN 65 4.989 20.333 -15.642 533 2HG GLN 65 2HG GLN 65 4.741 18.718 -16.309 534 1HE2 GLN 65 2HE2 GLN 65 5.320 21.846 -17.240 535 2HE2 GLN 65 1HE2 GLN 65 4.633 21.817 -18.792 536 H VAL 66 H VAL 66 2.356 19.729 -12.368 537 HA VAL 66 HA VAL 66 -0.526 20.559 -12.270 538 HB VAL 66 HB VAL 66 -0.980 18.292 -11.364 539 1HG1 VAL 66 1HG1 VAL 66 -0.998 17.238 -13.442 540 2HG1 VAL 66 2HG1 VAL 66 -0.797 18.923 -13.921 541 3HG1 VAL 66 3HG1 VAL 66 0.599 17.846 -13.878 542 1HG2 VAL 66 1HG2 VAL 66 1.459 17.004 -12.168 543 2HG2 VAL 66 2HG2 VAL 66 1.851 18.301 -11.038 544 3HG2 VAL 66 3HG2 VAL 66 0.714 17.036 -10.570 545 H LYS 67 H LYS 67 0.227 22.279 -10.798 546 HA LYS 67 HA LYS 67 1.811 22.168 -8.551 547 1HB LYS 67 1HB LYS 67 0.126 23.800 -7.590 548 2HB LYS 67 2HB LYS 67 0.623 24.158 -9.246 549 1HG LYS 67 1HG LYS 67 -1.392 23.003 -10.096 550 2HG LYS 67 2HG LYS 67 -1.897 22.678 -8.438 551 1HD LYS 67 1HD LYS 67 -1.563 25.309 -8.200 552 2HD LYS 67 2HD LYS 67 -1.866 25.262 -9.937 553 1HE LYS 67 1HE LYS 67 -4.041 25.483 -9.034 554 2HE LYS 67 2HE LYS 67 -3.900 23.729 -9.266 555 1HZ LYS 67 1HZ LYS 67 -2.757 24.697 -6.800 556 2HZ LYS 67 2HZ LYS 67 -3.773 23.363 -7.074 557 3HZ LYS 67 3HZ LYS 67 -4.436 24.917 -6.902 558 H ILE 68 H ILE 68 1.757 21.127 -6.577 559 HA ILE 68 HA ILE 68 -0.360 19.119 -6.118 560 HB ILE 68 HB ILE 68 2.399 19.746 -5.204 561 1HG1 ILE 68 1HG1 ILE 68 2.551 17.258 -5.367 562 2HG1 ILE 68 2HG1 ILE 68 0.833 17.210 -5.761 563 1HG2 ILE 68 1HG2 ILE 68 0.279 18.646 -3.393 564 2HG2 ILE 68 2HG2 ILE 68 1.901 17.960 -3.307 565 3HG2 ILE 68 3HG2 ILE 68 1.653 19.680 -3.005 566 1HD1 ILE 68 1HD1 ILE 68 2.865 18.803 -7.345 567 2HD1 ILE 68 2HD1 ILE 68 2.362 17.167 -7.771 568 3HD1 ILE 68 3HD1 ILE 68 1.186 18.481 -7.779 569 HA PRO 69 HA PRO 69 -2.581 21.633 -3.293 570 1HB PRO 69 1HB PRO 69 -3.733 19.705 -1.728 571 2HB PRO 69 2HB PRO 69 -4.279 20.064 -3.379 572 1HG PRO 69 1HG PRO 69 -2.507 17.874 -2.408 573 2HG PRO 69 2HG PRO 69 -3.802 17.825 -3.615 574 1HD PRO 69 1HD PRO 69 -1.184 17.915 -4.287 575 2HD PRO 69 2HD PRO 69 -2.459 18.643 -5.287 576 H LYS 70 H LYS 70 -3.074 21.020 -0.578 577 HA LYS 70 HA LYS 70 -0.323 21.296 0.557 578 1HB LYS 70 1HB LYS 70 -3.065 22.317 1.153 579 2HB LYS 70 2HB LYS 70 -1.976 22.088 2.523 580 1HG LYS 70 1HG LYS 70 -0.471 23.326 0.450 581 2HG LYS 70 2HG LYS 70 -1.987 24.216 0.599 582 1HD LYS 70 1HD LYS 70 -1.616 24.684 2.895 583 2HD LYS 70 2HD LYS 70 -0.346 23.466 3.020 584 1HE LYS 70 1HE LYS 70 0.341 25.361 0.947 585 2HE LYS 70 2HE LYS 70 0.007 26.213 2.467 586 1HZ LYS 70 1HZ LYS 70 1.700 23.782 2.259 587 2HZ LYS 70 2HZ LYS 70 1.462 24.745 3.638 588 3HZ LYS 70 3HZ LYS 70 2.317 25.361 2.306 589 H THR 71 H THR 71 -1.854 18.706 -0.078 590 HA THR 71 HA THR 71 -1.306 17.409 2.528 591 HB THR 71 HB THR 71 -3.694 16.347 2.234 592 HG1 THR 71 HG1 THR 71 -4.186 17.273 0.270 593 1HG2 THR 71 1HG2 THR 71 -2.894 17.884 4.066 594 2HG2 THR 71 2HG2 THR 71 -3.452 19.242 3.088 595 3HG2 THR 71 3HG2 THR 71 -4.608 18.049 3.682 596 H ILE 72 H ILE 72 -1.046 17.322 -0.787 597 HA ILE 72 HA ILE 72 -1.366 14.383 -1.046 598 HB ILE 72 HB ILE 72 -0.901 16.724 -2.894 599 1HG1 ILE 72 1HG1 ILE 72 -3.206 16.066 -2.078 600 2HG1 ILE 72 2HG1 ILE 72 -3.017 16.037 -3.832 601 1HG2 ILE 72 1HG2 ILE 72 0.014 14.004 -3.264 602 2HG2 ILE 72 2HG2 ILE 72 -1.238 14.389 -4.445 603 3HG2 ILE 72 3HG2 ILE 72 0.209 15.391 -4.335 604 1HD1 ILE 72 1HD1 ILE 72 -3.952 13.938 -2.269 605 2HD1 ILE 72 2HD1 ILE 72 -3.377 13.807 -3.930 606 3HD1 ILE 72 3HD1 ILE 72 -2.275 13.496 -2.589 607 H THR 73 H THR 73 0.408 13.119 -0.617 608 HA THR 73 HA THR 73 3.100 14.368 -0.566 609 HB THR 73 HB THR 73 2.432 11.517 0.130 610 HG1 THR 73 HG1 THR 73 1.743 13.874 1.522 611 1HG2 THR 73 1HG2 THR 73 4.532 11.624 0.918 612 2HG2 THR 73 2HG2 THR 73 4.634 13.327 0.472 613 3HG2 THR 73 3HG2 THR 73 4.017 12.868 2.059 614 H VAL 74 H VAL 74 4.556 14.019 -2.185 615 HA VAL 74 HA VAL 74 3.942 11.905 -4.224 616 HB VAL 74 HB VAL 74 3.846 14.133 -5.145 617 1HG1 VAL 74 1HG1 VAL 74 6.312 15.312 -4.872 618 2HG1 VAL 74 2HG1 VAL 74 4.905 15.696 -3.879 619 3HG1 VAL 74 3HG1 VAL 74 6.107 14.544 -3.298 620 1HG2 VAL 74 1HG2 VAL 74 5.288 12.256 -6.274 621 2HG2 VAL 74 2HG2 VAL 74 5.394 13.904 -6.895 622 3HG2 VAL 74 3HG2 VAL 74 6.653 13.281 -5.827 623 H SER 75 H SER 75 5.201 10.140 -3.388 624 HA SER 75 HA SER 75 8.015 10.734 -2.613 625 1HB SER 75 1HB SER 75 5.919 8.843 -1.899 626 2HB SER 75 2HB SER 75 7.431 8.015 -2.264 627 HG SER 75 HG SER 75 6.766 9.434 -0.099 628 H THR 76 H THR 76 9.557 8.836 -3.317 629 HA THR 76 HA THR 76 9.177 8.426 -6.259 630 HB THR 76 HB THR 76 11.594 8.434 -6.342 631 HG1 THR 76 HG1 THR 76 11.588 8.598 -3.520 632 1HG2 THR 76 1HG2 THR 76 11.824 10.561 -4.562 633 2HG2 THR 76 2HG2 THR 76 11.345 10.673 -6.255 634 3HG2 THR 76 3HG2 THR 76 10.115 10.558 -4.997 635 H GLY 77 H GLY 77 9.709 6.317 -7.127 636 1HA GLY 77 1HA GLY 77 10.434 4.126 -5.344 637 2HA GLY 77 2HA GLY 77 8.750 4.061 -5.869 638 H PHE 78 H PHE 78 10.075 1.957 -6.720 639 HA PHE 78 HA PHE 78 10.456 2.471 -9.625 640 1HB PHE 78 1HB PHE 78 12.445 1.114 -7.775 641 2HB PHE 78 2HB PHE 78 12.592 1.178 -9.531 642 HD1 PHE 78 HD1 PHE 78 13.488 2.778 -6.516 643 HD2 PHE 78 HD2 PHE 78 12.353 3.618 -10.574 644 HE1 PHE 78 HE1 PHE 78 14.537 5.021 -6.346 645 HE2 PHE 78 HE2 PHE 78 13.400 5.860 -10.404 646 HZ PHE 78 HZ PHE 78 14.492 6.561 -8.289 647 H MET 79 H MET 79 9.687 0.752 -10.856 648 HA MET 79 HA MET 79 8.950 -1.762 -9.391 649 1HB MET 79 1HB MET 79 7.427 0.141 -11.086 650 2HB MET 79 2HB MET 79 7.116 -1.568 -11.395 651 1HG MET 79 1HG MET 79 7.098 -1.530 -8.667 652 2HG MET 79 2HG MET 79 6.449 0.070 -9.026 653 1HE MET 79 1HE MET 79 3.418 -0.517 -11.207 654 2HE MET 79 2HE MET 79 4.661 0.575 -10.601 655 3HE MET 79 3HE MET 79 5.021 -0.526 -11.938 656 H SER 80 H SER 80 9.533 -3.661 -10.442 657 HA SER 80 HA SER 80 10.656 -3.403 -13.213 658 1HB SER 80 1HB SER 80 11.645 -5.334 -11.120 659 2HB SER 80 2HB SER 80 12.492 -4.726 -12.539 660 HG SER 80 HG SER 80 13.084 -3.772 -10.454 661 H ILE 81 HN ILE 81 8.943 -4.339 -14.357 662 HA ILE 81 HA ILE 81 7.655 -6.806 -13.362 663 HB ILE 81 HB ILE 81 7.335 -5.074 -15.834 664 1HG1 ILE 81 1HG1 ILE 81 5.108 -5.243 -13.965 665 2HG1 ILE 81 2HG1 ILE 81 6.573 -4.668 -13.168 666 1HG2 ILE 81 1HG2 ILE 81 5.624 -7.369 -14.827 667 2HG2 ILE 81 2HG2 ILE 81 5.242 -6.330 -16.199 668 3HG2 ILE 81 3HG2 ILE 81 6.638 -7.404 -16.269 669 1HD1 ILE 81 1HD1 ILE 81 4.850 -3.121 -14.706 670 2HD1 ILE 81 2HD1 ILE 81 6.494 -2.682 -14.243 671 3HD1 ILE 81 3HD1 ILE 81 6.193 -3.454 -15.799 672 1H MET 1 1H MET 1 15.550 -2.602 0.028 673 2H MET 1 2H MET 1 15.360 -1.649 1.421 674 3H MET 1 3H MET 1 16.114 -1.004 0.042 675 HA MET 1 HA MET 1 13.766 -0.245 0.355 676 1HB MET 1 1HB MET 1 15.122 -1.488 -1.950 677 2HB MET 1 2HB MET 1 13.380 -1.302 -2.160 678 1HG MET 1 1HG MET 1 13.541 0.945 -2.351 679 2HG MET 1 2HG MET 1 14.626 1.062 -0.966 680 1HE MET 1 1HE MET 1 15.008 -1.292 -3.884 681 2HE MET 1 2HE MET 1 14.416 0.085 -4.811 682 3HE MET 1 3HE MET 1 16.074 -0.487 -5.034 683 H THR 2 H THR 2 11.538 -0.875 0.243 684 HA THR 2 HA THR 2 10.922 -3.492 1.321 685 HB THR 2 HB THR 2 9.379 -1.105 0.300 686 HG1 THR 2 HG1 THR 2 10.524 -1.557 2.492 687 1HG2 THR 2 1HG2 THR 2 7.813 -2.743 -0.237 688 2HG2 THR 2 2HG2 THR 2 8.366 -3.833 1.036 689 3HG2 THR 2 3HG2 THR 2 7.404 -2.412 1.445 690 HA PRO 3 HA PRO 3 10.662 -5.342 -2.721 691 1HB PRO 3 1HB PRO 3 10.130 -7.892 -1.890 692 2HB PRO 3 2HB PRO 3 11.759 -7.189 -1.861 693 1HG PRO 3 1HG PRO 3 9.842 -7.612 0.357 694 2HG PRO 3 2HG PRO 3 11.609 -7.695 0.355 695 1HD PRO 3 1HD PRO 3 10.131 -5.574 1.312 696 2HD PRO 3 2HD PRO 3 11.827 -5.486 0.813 697 H ILE 4 H ILE 4 8.902 -6.146 -4.030 698 HA ILE 4 HA ILE 4 6.247 -6.430 -2.703 699 HB ILE 4 HB ILE 4 5.430 -4.861 -4.626 700 1HG1 ILE 4 1HG1 ILE 4 7.958 -3.398 -4.461 701 2HG1 ILE 4 2HG1 ILE 4 8.135 -4.958 -5.266 702 1HG2 ILE 4 1HG2 ILE 4 5.097 -3.831 -2.618 703 2HG2 ILE 4 2HG2 ILE 4 6.711 -4.226 -2.031 704 3HG2 ILE 4 3HG2 ILE 4 6.478 -2.857 -3.120 705 1HD1 ILE 4 1HD1 ILE 4 7.203 -2.644 -6.463 706 2HD1 ILE 4 2HD1 ILE 4 6.955 -4.279 -7.075 707 3HD1 ILE 4 3HD1 ILE 4 5.717 -3.514 -6.081 708 H VAL 5 H VAL 5 4.576 -7.009 -4.540 709 HA VAL 5 HA VAL 5 5.833 -8.554 -6.752 710 HB VAL 5 HB VAL 5 4.223 -10.462 -5.985 711 1HG1 VAL 5 1HG1 VAL 5 6.246 -10.419 -3.915 712 2HG1 VAL 5 2HG1 VAL 5 6.156 -11.430 -5.357 713 3HG1 VAL 5 3HG1 VAL 5 6.916 -9.841 -5.441 714 1HG2 VAL 5 1HG2 VAL 5 3.112 -8.929 -4.287 715 2HG2 VAL 5 2HG2 VAL 5 3.647 -10.484 -3.650 716 3HG2 VAL 5 3HG2 VAL 5 4.597 -9.031 -3.341 717 H HIS 6 H HIS 6 4.641 -8.233 -8.590 718 HA HIS 6 HA HIS 6 1.881 -7.122 -8.298 719 1HB HIS 6 1HB HIS 6 4.183 -6.795 -10.124 720 2HB HIS 6 2HB HIS 6 2.615 -6.851 -10.929 721 HD1 HIS 6 HD1 HIS 6 2.185 -4.410 -11.400 722 HD2 HIS 6 HD2 HIS 6 3.309 -5.075 -7.440 723 HE1 HIS 6 HE1 HIS 6 1.890 -2.203 -10.191 724 H LEU 7 H LEU 7 0.283 -8.613 -8.587 725 HA LEU 7 HA LEU 7 0.833 -10.975 -10.347 726 1HB LEU 7 1HB LEU 7 -1.237 -10.583 -8.163 727 2HB LEU 7 2HB LEU 7 -0.811 -12.104 -8.949 728 HG LEU 7 HG LEU 7 1.596 -10.929 -7.962 729 1HD1 LEU 7 1HD1 LEU 7 -0.749 -10.901 -6.060 730 2HD1 LEU 7 2HD1 LEU 7 0.902 -11.112 -5.474 731 3HD1 LEU 7 3HD1 LEU 7 0.453 -9.640 -6.337 732 1HD2 LEU 7 1HD2 LEU 7 1.934 -13.097 -7.389 733 2HD2 LEU 7 2HD2 LEU 7 0.459 -13.150 -6.421 734 3HD2 LEU 7 3HD2 LEU 7 0.381 -13.415 -8.163 735 H LYS 8 H LYS 8 -0.611 -11.404 -12.037 736 HA LYS 8 HA LYS 8 -3.026 -9.658 -12.286 737 1HB LYS 8 1HB LYS 8 -1.011 -8.686 -13.441 738 2HB LYS 8 2HB LYS 8 -0.959 -10.128 -14.456 739 1HG LYS 8 1HG LYS 8 -3.147 -9.650 -15.364 740 2HG LYS 8 2HG LYS 8 -3.386 -8.328 -14.222 741 1HD LYS 8 1HD LYS 8 -2.735 -7.390 -16.370 742 2HD LYS 8 2HD LYS 8 -1.406 -7.171 -15.231 743 1HE LYS 8 1HE LYS 8 -0.727 -9.595 -16.240 744 2HE LYS 8 2HE LYS 8 -1.543 -8.888 -17.651 745 1HZ LYS 8 1HZ LYS 8 0.455 -7.412 -16.032 746 2HZ LYS 8 2HZ LYS 8 -0.185 -6.974 -17.543 747 3HZ LYS 8 3HZ LYS 8 0.874 -8.297 -17.416 748 H GLY 9 H GLY 9 -4.488 -10.482 -14.055 749 1HA GLY 9 1HA GLY 9 -4.403 -12.746 -15.557 750 2HA GLY 9 2HA GLY 9 -4.632 -13.417 -13.941 751 H ASP 10 H ASP 10 -6.736 -14.195 -14.783 752 HA ASP 10 HA ASP 10 -8.810 -12.431 -15.685 753 1HB ASP 10 1HB ASP 10 -8.450 -15.080 -15.581 754 2HB ASP 10 2HB ASP 10 -9.402 -14.901 -14.108 755 H ALA 11 H ALA 11 -10.228 -11.155 -14.519 756 HA ALA 11 HA ALA 11 -9.731 -10.232 -11.928 757 1HB ALA 11 1HB ALA 11 -11.765 -10.081 -13.951 758 2HB ALA 11 2HB ALA 11 -12.544 -10.236 -12.376 759 3HB ALA 11 3HB ALA 11 -11.409 -8.920 -12.671 760 H ASN 12 H ASN 12 -11.483 -13.131 -12.923 761 HA ASN 12 HA ASN 12 -12.628 -13.673 -10.294 762 1HB ASN 12 1HB ASN 12 -12.219 -15.224 -12.862 763 2HB ASN 12 2HB ASN 12 -13.012 -15.932 -11.454 764 1HD2 ASN 12 2HD2 ASN 12 -13.922 -14.760 -14.291 765 2HD2 ASN 12 1HD2 ASN 12 -15.317 -13.890 -13.872 766 H THR 13 H THR 13 -9.887 -15.015 -12.166 767 HA THR 13 HA THR 13 -9.005 -16.941 -10.283 768 HB THR 13 HB THR 13 -7.450 -15.207 -12.232 769 HG1 THR 13 HG1 THR 13 -9.345 -16.693 -12.820 770 1HG2 THR 13 1HG2 THR 13 -5.887 -17.163 -12.260 771 2HG2 THR 13 2HG2 THR 13 -5.931 -16.327 -10.708 772 3HG2 THR 13 3HG2 THR 13 -6.792 -17.853 -10.913 773 H LEU 14 H LEU 14 -8.927 -13.500 -10.084 774 HA LEU 14 HA LEU 14 -6.629 -13.387 -8.244 775 1HB LEU 14 1HB LEU 14 -8.564 -11.499 -9.540 776 2HB LEU 14 2HB LEU 14 -7.649 -10.941 -8.140 777 HG LEU 14 HG LEU 14 -6.341 -12.254 -10.532 778 1HD1 LEU 14 1HD1 LEU 14 -7.283 -9.471 -10.105 779 2HD1 LEU 14 2HD1 LEU 14 -5.640 -9.642 -10.726 780 3HD1 LEU 14 3HD1 LEU 14 -6.995 -10.344 -11.611 781 1HD2 LEU 14 1HD2 LEU 14 -5.205 -10.416 -8.405 782 2HD2 LEU 14 2HD2 LEU 14 -5.168 -12.175 -8.282 783 3HD2 LEU 14 3HD2 LEU 14 -4.308 -11.364 -9.591 784 H LYS 15 H LYS 15 -10.181 -13.164 -8.057 785 HA LYS 15 HA LYS 15 -10.408 -12.396 -5.324 786 1HB LYS 15 1HB LYS 15 -12.266 -12.361 -6.887 787 2HB LYS 15 2HB LYS 15 -12.136 -14.102 -7.143 788 1HG LYS 15 1HG LYS 15 -12.913 -14.598 -4.964 789 2HG LYS 15 2HG LYS 15 -12.626 -12.954 -4.395 790 1HD LYS 15 1HD LYS 15 -14.679 -13.725 -6.490 791 2HD LYS 15 2HD LYS 15 -15.043 -13.403 -4.795 792 1HE LYS 15 1HE LYS 15 -13.694 -11.141 -5.342 793 2HE LYS 15 2HE LYS 15 -14.318 -11.490 -6.967 794 1HZ LYS 15 1HZ LYS 15 -16.154 -11.894 -4.741 795 2HZ LYS 15 2HZ LYS 15 -16.455 -11.292 -6.302 796 3HZ LYS 15 3HZ LYS 15 -15.778 -10.282 -5.116 797 H CYS 16 H CYS 16 -10.014 -15.598 -6.826 798 HA CYS 16 HA CYS 16 -10.402 -17.123 -4.405 799 1HB CYS 16 1HB CYS 16 -10.493 -17.800 -6.897 800 2HB CYS 16 2HB CYS 16 -8.735 -17.901 -6.803 801 HG CYS 16 HG CYS 16 -10.167 -19.494 -4.606 802 H LEU 17 H LEU 17 -7.533 -15.742 -5.996 803 HA LEU 17 HA LEU 17 -5.512 -16.996 -4.443 804 1HB LEU 17 1HB LEU 17 -5.818 -14.361 -5.877 805 2HB LEU 17 2HB LEU 17 -4.323 -14.747 -5.026 806 HG LEU 17 HG LEU 17 -5.519 -16.710 -6.971 807 1HD1 LEU 17 1HD1 LEU 17 -4.582 -14.083 -7.622 808 2HD1 LEU 17 2HD1 LEU 17 -3.392 -15.253 -8.194 809 3HD1 LEU 17 3HD1 LEU 17 -5.069 -15.373 -8.724 810 1HD2 LEU 17 1HD2 LEU 17 -3.168 -16.507 -5.318 811 2HD2 LEU 17 2HD2 LEU 17 -3.688 -17.856 -6.328 812 3HD2 LEU 17 3HD2 LEU 17 -2.684 -16.578 -7.013 813 H ARG 18 H ARG 18 -7.185 -13.884 -3.892 814 HA ARG 18 HA ARG 18 -5.934 -13.023 -1.542 815 1HB ARG 18 1HB ARG 18 -7.677 -11.798 -2.775 816 2HB ARG 18 2HB ARG 18 -8.881 -12.987 -2.278 817 1HG ARG 18 1HG ARG 18 -8.288 -12.418 0.126 818 2HG ARG 18 2HG ARG 18 -7.354 -11.064 -0.509 819 1HD ARG 18 1HD ARG 18 -10.162 -11.346 -1.494 820 2HD ARG 18 2HD ARG 18 -9.929 -10.765 0.167 821 HE ARG 18 HE ARG 18 -8.319 -9.063 -0.848 822 1HH1 ARG 18 2HH1 ARG 18 -11.405 -9.703 -1.956 823 2HH1 ARG 18 1HH1 ARG 18 -11.251 -8.831 -3.445 824 1HH2 ARG 18 1HH2 ARG 18 -7.841 -8.311 -3.095 825 2HH2 ARG 18 2HH2 ARG 18 -9.234 -8.042 -4.087 826 H TYR 19 H TYR 19 -8.413 -15.536 -1.911 827 HA TYR 19 HA TYR 19 -8.961 -15.962 0.868 828 1HB TYR 19 1HB TYR 19 -10.434 -16.792 -0.827 829 2HB TYR 19 2HB TYR 19 -9.125 -17.654 -1.636 830 HD1 TYR 19 HD1 TYR 19 -11.534 -17.708 1.113 831 HD2 TYR 19 HD2 TYR 19 -8.138 -19.694 -0.618 832 HE1 TYR 19 HE1 TYR 19 -12.011 -19.720 2.485 833 HE2 TYR 19 HE2 TYR 19 -8.616 -21.705 0.754 834 HH TYR 19 HH TYR 19 -11.292 -22.469 2.025 835 H ARG 20 H ARG 20 -6.424 -17.186 -1.275 836 HA ARG 20 HA ARG 20 -5.478 -19.278 0.478 837 1HB ARG 20 1HB ARG 20 -4.232 -17.666 -1.769 838 2HB ARG 20 2HB ARG 20 -3.463 -19.074 -1.039 839 1HG ARG 20 1HG ARG 20 -6.240 -19.598 -1.776 840 2HG ARG 20 2HG ARG 20 -5.262 -19.118 -3.163 841 1HD ARG 20 1HD ARG 20 -3.565 -20.844 -2.524 842 2HD ARG 20 2HD ARG 20 -4.651 -21.379 -1.225 843 HE ARG 20 HE ARG 20 -5.726 -21.251 -3.999 844 1HH1 ARG 20 1HH2 ARG 20 -3.834 -23.400 -2.337 845 2HH1 ARG 20 2HH2 ARG 20 -4.971 -24.707 -2.337 846 1HH2 ARG 20 2HH1 ARG 20 -7.595 -22.774 -3.523 847 2HH2 ARG 20 1HH1 ARG 20 -7.099 -24.353 -3.010 848 H PHE 21 H PHE 21 -4.806 -15.820 0.204 849 HA PHE 21 HA PHE 21 -2.410 -15.756 1.790 850 1HB PHE 21 1HB PHE 21 -4.564 -13.647 1.458 851 2HB PHE 21 2HB PHE 21 -2.864 -13.369 1.831 852 HD1 PHE 21 HD1 PHE 21 -2.202 -15.864 -0.160 853 HD2 PHE 21 HD2 PHE 21 -4.203 -12.078 -0.507 854 HE1 PHE 21 HE1 PHE 21 -1.675 -15.808 -2.583 855 HE2 PHE 21 HE2 PHE 21 -3.676 -12.022 -2.931 856 HZ PHE 21 HZ PHE 21 -2.412 -13.888 -3.968 857 H LYS 22 H LYS 22 -5.729 -16.224 2.627 858 HA LYS 22 HA LYS 22 -5.784 -15.127 5.268 859 1HB LYS 22 1HB LYS 22 -7.204 -17.514 4.039 860 2HB LYS 22 2HB LYS 22 -7.711 -16.673 5.504 861 1HG LYS 22 1HG LYS 22 -7.357 -15.250 2.859 862 2HG LYS 22 2HG LYS 22 -8.892 -15.968 3.351 863 1HD LYS 22 1HD LYS 22 -9.281 -14.374 4.944 864 2HD LYS 22 2HD LYS 22 -7.575 -14.239 5.371 865 1HE LYS 22 1HE LYS 22 -7.206 -13.035 3.170 866 2HE LYS 22 2HE LYS 22 -8.971 -12.995 2.979 867 1HZ LYS 22 1HZ LYS 22 -9.208 -11.844 5.024 868 2HZ LYS 22 2HZ LYS 22 -8.010 -11.018 4.146 869 3HZ LYS 22 3HZ LYS 22 -7.573 -12.054 5.422 870 H LYS 23 H LYS 23 -4.601 -18.212 3.996 871 HA LYS 23 HA LYS 23 -4.236 -19.459 6.599 872 1HB LYS 23 1HB LYS 23 -3.324 -19.974 3.765 873 2HB LYS 23 2HB LYS 23 -2.811 -21.010 5.097 874 1HG LYS 23 1HG LYS 23 -5.650 -20.557 5.276 875 2HG LYS 23 2HG LYS 23 -5.247 -21.143 3.661 876 1HD LYS 23 1HD LYS 23 -3.687 -22.764 5.220 877 2HD LYS 23 2HD LYS 23 -5.095 -22.535 6.260 878 1HE LYS 23 1HE LYS 23 -5.511 -24.472 4.838 879 2HE LYS 23 2HE LYS 23 -6.547 -23.148 4.267 880 1HZ LYS 23 1HZ LYS 23 -3.816 -23.377 3.213 881 2HZ LYS 23 2HZ LYS 23 -5.205 -22.731 2.476 882 3HZ LYS 23 3HZ LYS 23 -5.008 -24.414 2.598 883 H HIS 24 H HIS 24 -2.543 -17.026 4.912 884 HA HIS 24 HA HIS 24 -0.253 -17.289 6.804 885 1HB HIS 24 1HB HIS 24 0.245 -16.701 3.895 886 2HB HIS 24 2HB HIS 24 1.342 -17.389 5.091 887 HD1 HIS 24 HD1 HIS 24 0.283 -19.851 6.074 888 HD2 HIS 24 HD2 HIS 24 -0.659 -18.661 2.191 889 HE1 HIS 24 HE1 HIS 24 -0.459 -21.938 4.845 890 H CYS 25 H CYS 25 -2.343 -15.416 6.977 891 HA CYS 25 HA CYS 25 -2.009 -12.963 5.604 892 1HB CYS 25 1HB CYS 25 -3.930 -13.410 6.979 893 2HB CYS 25 2HB CYS 25 -2.923 -13.681 8.401 894 HG CYS 25 HG CYS 25 -3.401 -11.267 8.810 895 H THR 26 H THR 26 0.086 -14.475 7.878 896 HA THR 26 HA THR 26 1.373 -11.911 8.656 897 HB THR 26 HB THR 26 2.777 -13.719 9.967 898 HG1 THR 26 HG1 THR 26 1.467 -15.595 10.285 899 1HG2 THR 26 1HG2 THR 26 1.475 -13.138 11.727 900 2HG2 THR 26 2HG2 THR 26 0.571 -12.180 10.553 901 3HG2 THR 26 3HG2 THR 26 0.021 -13.801 10.981 902 H LEU 27 H LEU 27 1.501 -13.485 5.911 903 HA LEU 27 HA LEU 27 4.423 -13.955 5.722 904 1HB LEU 27 1HB LEU 27 1.950 -14.626 4.256 905 2HB LEU 27 2HB LEU 27 3.330 -14.275 3.215 906 HG LEU 27 HG LEU 27 4.687 -15.936 4.390 907 1HD1 LEU 27 1HD1 LEU 27 3.111 -17.429 5.992 908 2HD1 LEU 27 2HD1 LEU 27 4.078 -16.084 6.597 909 3HD1 LEU 27 3HD1 LEU 27 2.365 -15.852 6.249 910 1HD2 LEU 27 1HD2 LEU 27 2.845 -17.919 4.052 911 2HD2 LEU 27 2HD2 LEU 27 2.084 -16.614 3.144 912 3HD2 LEU 27 3HD2 LEU 27 3.708 -17.153 2.719 913 H TYR 28 H TYR 28 1.948 -11.678 4.593 914 HA TYR 28 HA TYR 28 4.088 -10.080 3.243 915 1HB TYR 28 1HB TYR 28 2.004 -8.980 2.211 916 2HB TYR 28 2HB TYR 28 2.318 -10.654 1.752 917 HD1 TYR 28 HD1 TYR 28 0.817 -12.415 2.352 918 HD2 TYR 28 HD2 TYR 28 0.287 -8.469 3.967 919 HE1 TYR 28 HE1 TYR 28 -1.413 -13.070 3.220 920 HE2 TYR 28 HE2 TYR 28 -1.942 -9.124 4.837 921 HH TYR 28 HH TYR 28 -3.348 -10.826 5.187 922 H THR 29 H THR 29 3.600 -7.613 3.409 923 HA THR 29 HA THR 29 3.169 -6.993 6.291 924 HB THR 29 HB THR 29 4.359 -5.419 3.985 925 HG1 THR 29 HG1 THR 29 5.681 -6.570 6.196 926 1HG2 THR 29 1HG2 THR 29 3.468 -4.593 6.570 927 2HG2 THR 29 2HG2 THR 29 5.230 -4.545 6.559 928 3HG2 THR 29 3HG2 THR 29 4.315 -3.639 5.353 929 H ALA 30 H ALA 30 1.883 -6.188 3.075 930 HA ALA 30 HA ALA 30 -0.539 -5.091 4.338 931 1HB ALA 30 1HB ALA 30 0.911 -3.177 4.470 932 2HB ALA 30 2HB ALA 30 1.472 -3.416 2.814 933 3HB ALA 30 3HB ALA 30 -0.183 -2.885 3.116 934 H VAL 31 H VAL 31 -2.145 -5.937 3.083 935 HA VAL 31 HA VAL 31 -1.620 -6.635 0.253 936 HB VAL 31 HB VAL 31 -2.784 -8.171 1.818 937 1HG1 VAL 31 1HG1 VAL 31 -5.312 -6.724 1.848 938 2HG1 VAL 31 2HG1 VAL 31 -4.431 -7.458 3.188 939 3HG1 VAL 31 3HG1 VAL 31 -4.039 -5.820 2.667 940 1HG2 VAL 31 1HG2 VAL 31 -5.084 -7.587 0.148 941 2HG2 VAL 31 2HG2 VAL 31 -3.590 -7.433 -0.776 942 3HG2 VAL 31 3HG2 VAL 31 -3.961 -8.945 0.054 943 H SER 32 H SER 32 -1.919 -5.008 -1.232 944 HA SER 32 HA SER 32 -3.635 -2.700 -0.634 945 1HB SER 32 1HB SER 32 -1.381 -3.298 -2.196 946 2HB SER 32 2HB SER 32 -2.654 -2.939 -3.358 947 HG SER 32 HG SER 32 -1.251 -1.227 -1.981 948 H SER 33 H SER 33 -5.479 -2.095 -1.914 949 HA SER 33 HA SER 33 -7.301 -4.183 -2.591 950 1HB SER 33 1HB SER 33 -8.687 -2.348 -3.324 951 2HB SER 33 2HB SER 33 -7.742 -1.761 -1.958 952 HG SER 33 HG SER 33 -6.236 -0.953 -3.559 953 H THR 34 H THR 34 -8.227 -4.542 -4.807 954 HA THR 34 HA THR 34 -6.190 -5.221 -6.730 955 HB THR 34 HB THR 34 -9.141 -4.878 -7.278 956 HG1 THR 34 HG1 THR 34 -9.181 -7.103 -6.373 957 1HG2 THR 34 1HG2 THR 34 -7.195 -5.777 -8.885 958 2HG2 THR 34 2HG2 THR 34 -7.543 -7.276 -8.026 959 3HG2 THR 34 3HG2 THR 34 -8.823 -6.455 -8.918 960 H TRP 35 H TRP 35 -5.244 -3.858 -8.242 961 HA TRP 35 HA TRP 35 -6.816 -1.570 -9.304 962 1HB TRP 35 1HB TRP 35 -5.134 -0.004 -8.644 963 2HB TRP 35 2HB TRP 35 -5.399 -1.010 -7.222 964 HD1 TRP 35 HD1 TRP 35 -3.671 -3.449 -7.584 965 HE1 TRP 35 HE1 TRP 35 -1.117 -3.343 -7.847 966 HE3 TRP 35 HE3 TRP 35 -3.140 1.397 -9.124 967 HZ2 TRP 35 HZ2 TRP 35 0.893 -1.460 -8.598 968 HZ3 TRP 35 HZ3 TRP 35 -0.884 2.318 -9.593 969 HH2 TRP 35 HH2 TRP 35 1.128 0.897 -9.336 970 H HIS 36 H HIS 36 -5.657 -0.643 -11.275 971 HA HIS 36 HA HIS 36 -3.497 -2.255 -12.447 972 1HB HIS 36 1HB HIS 36 -4.936 -3.048 -14.321 973 2HB HIS 36 2HB HIS 36 -5.471 -3.677 -12.762 974 HD1 HIS 36 HD1 HIS 36 -7.965 -3.696 -12.809 975 HD2 HIS 36 HD2 HIS 36 -6.428 -0.204 -14.489 976 HE1 HIS 36 HE1 HIS 36 -9.956 -2.236 -13.369 977 H TRP 37 H TRP 37 -3.412 -1.567 -14.957 978 HA TRP 37 HA TRP 37 -3.107 1.344 -14.974 979 1HB TRP 37 1HB TRP 37 -2.792 -0.745 -17.156 980 2HB TRP 37 2HB TRP 37 -2.120 0.885 -17.174 981 HD1 TRP 37 HD1 TRP 37 -0.957 -2.415 -16.637 982 HE1 TRP 37 HE1 TRP 37 1.047 -2.521 -15.017 983 HE3 TRP 37 HE3 TRP 37 -1.308 2.210 -14.500 984 HZ2 TRP 37 HZ2 TRP 37 2.331 -0.859 -13.069 985 HZ3 TRP 37 HZ3 TRP 37 0.314 2.923 -12.767 986 HH2 TRP 37 HH2 TRP 37 2.131 1.397 -12.049 987 H THR 38 H THR 38 -4.659 2.765 -15.674 988 HA THR 38 HA THR 38 -6.315 2.384 -17.964 989 HB THR 38 HB THR 38 -7.085 0.711 -15.982 990 HG1 THR 38 HG1 THR 38 -8.626 0.379 -17.359 991 1HG2 THR 38 1HG2 THR 38 -8.774 3.196 -15.579 992 2HG2 THR 38 2HG2 THR 38 -8.994 1.639 -14.780 993 3HG2 THR 38 3HG2 THR 38 -7.563 2.611 -14.440 994 H GLY 39 H GLY 39 -7.654 4.248 -18.341 995 1HA GLY 39 1HA GLY 39 -6.853 6.607 -16.800 996 2HA GLY 39 2HA GLY 39 -7.887 6.606 -18.229 997 H HIS 40 H HIS 40 -9.859 4.786 -17.378 998 HA HIS 40 HA HIS 40 -10.909 5.690 -14.779 999 1HB HIS 40 1HB HIS 40 -11.325 7.490 -16.560 1000 2HB HIS 40 2HB HIS 40 -12.420 6.337 -17.320 1001 HD1 HIS 40 HD1 HIS 40 -14.765 6.798 -16.646 1002 HD2 HIS 40 HD2 HIS 40 -12.113 7.536 -13.516 1003 HE1 HIS 40 HE1 HIS 40 -16.173 7.528 -14.671 1004 H ASN 41 H ASN 41 -13.318 4.791 -14.640 1005 HA ASN 41 HA ASN 41 -13.279 1.976 -14.859 1006 1HB ASN 41 1HB ASN 41 -15.467 4.060 -14.711 1007 2HB ASN 41 2HB ASN 41 -15.828 2.334 -14.661 1008 1HD2 ASN 41 2HD2 ASN 41 -13.928 1.233 -13.058 1009 2HD2 ASN 41 1HD2 ASN 41 -13.905 1.960 -11.524 1010 H VAL 42 H VAL 42 -12.483 1.570 -17.079 1011 HA VAL 42 HA VAL 42 -14.619 1.919 -19.160 1012 HB VAL 42 HB VAL 42 -12.786 2.139 -20.754 1013 1HG1 VAL 42 1HG1 VAL 42 -12.551 4.312 -20.204 1014 2HG1 VAL 42 2HG1 VAL 42 -13.343 3.941 -18.672 1015 3HG1 VAL 42 3HG1 VAL 42 -11.582 3.904 -18.787 1016 1HG2 VAL 42 1HG2 VAL 42 -10.443 2.052 -19.999 1017 2HG2 VAL 42 2HG2 VAL 42 -10.976 1.677 -18.360 1018 3HG2 VAL 42 3HG2 VAL 42 -11.254 0.522 -19.666 1019 H LYS 43 H LYS 43 -12.577 -0.287 -17.447 1020 HA LYS 43 HA LYS 43 -13.742 -2.550 -18.989 1021 1HB LYS 43 1HB LYS 43 -10.902 -1.659 -18.890 1022 2HB LYS 43 2HB LYS 43 -11.182 -3.396 -18.774 1023 1HG LYS 43 1HG LYS 43 -12.662 -1.873 -20.879 1024 2HG LYS 43 2HG LYS 43 -10.950 -2.203 -21.141 1025 1HD LYS 43 1HD LYS 43 -12.345 -4.554 -20.138 1026 2HD LYS 43 2HD LYS 43 -13.065 -3.963 -21.636 1027 1HE LYS 43 1HE LYS 43 -10.611 -3.814 -22.504 1028 2HE LYS 43 2HE LYS 43 -10.240 -4.906 -21.154 1029 1HZ LYS 43 1HZ LYS 43 -10.907 -6.045 -23.268 1030 2HZ LYS 43 2HZ LYS 43 -12.458 -5.379 -23.069 1031 3HZ LYS 43 3HZ LYS 43 -11.839 -6.459 -21.913 1032 H HIS 44 H HIS 44 -14.308 -4.183 -17.582 1033 HA HIS 44 HA HIS 44 -13.411 -3.942 -14.749 1034 1HB HIS 44 1HB HIS 44 -15.436 -5.080 -14.246 1035 2HB HIS 44 2HB HIS 44 -15.856 -4.008 -15.580 1036 HD1 HIS 44 HD1 HIS 44 -17.147 -6.907 -14.818 1037 HD2 HIS 44 HD2 HIS 44 -14.563 -6.045 -17.974 1038 HE1 HIS 44 HE1 HIS 44 -17.507 -8.717 -16.553 1039 H LYS 45 H LYS 45 -12.382 -5.525 -17.441 1040 HA LYS 45 HA LYS 45 -12.070 -8.232 -16.362 1041 1HB LYS 45 1HB LYS 45 -12.321 -7.888 -18.738 1042 2HB LYS 45 2HB LYS 45 -10.998 -6.721 -18.762 1043 1HG LYS 45 1HG LYS 45 -9.422 -8.507 -18.084 1044 2HG LYS 45 2HG LYS 45 -10.746 -9.672 -18.106 1045 1HD LYS 45 1HD LYS 45 -10.953 -9.596 -20.428 1046 2HD LYS 45 2HD LYS 45 -10.212 -8.000 -20.543 1047 1HE LYS 45 1HE LYS 45 -8.458 -9.358 -21.295 1048 2HE LYS 45 2HE LYS 45 -8.094 -9.288 -19.560 1049 1HZ LYS 45 1HZ LYS 45 -9.708 -11.373 -20.932 1050 2HZ LYS 45 2HZ LYS 45 -9.462 -11.279 -19.254 1051 3HZ LYS 45 3HZ LYS 45 -8.151 -11.580 -20.293 1052 H SER 46 H SER 46 -9.676 -5.748 -17.360 1053 HA SER 46 HA SER 46 -7.339 -6.800 -16.343 1054 1HB SER 46 1HB SER 46 -7.680 -3.983 -15.626 1055 2HB SER 46 2HB SER 46 -6.611 -4.707 -16.825 1056 HG SER 46 HG SER 46 -7.980 -4.043 -18.262 1057 H ALA 47 H ALA 47 -6.289 -6.804 -14.286 1058 HA ALA 47 HA ALA 47 -7.372 -5.641 -11.894 1059 1HB ALA 47 1HB ALA 47 -8.108 -8.494 -12.594 1060 2HB ALA 47 2HB ALA 47 -8.194 -7.873 -10.945 1061 3HB ALA 47 3HB ALA 47 -9.199 -7.164 -12.209 1062 H ILE 48 H ILE 48 -5.598 -5.529 -10.575 1063 HA ILE 48 HA ILE 48 -3.714 -7.845 -10.484 1064 HB ILE 48 HB ILE 48 -3.201 -4.978 -11.261 1065 1HG1 ILE 48 1HG1 ILE 48 -1.937 -7.478 -12.367 1066 2HG1 ILE 48 2HG1 ILE 48 -3.563 -7.004 -12.861 1067 1HG2 ILE 48 1HG2 ILE 48 -1.406 -4.981 -9.870 1068 2HG2 ILE 48 2HG2 ILE 48 -1.499 -6.724 -9.608 1069 3HG2 ILE 48 3HG2 ILE 48 -0.694 -6.089 -11.044 1070 1HD1 ILE 48 1HD1 ILE 48 -1.888 -4.685 -12.949 1071 2HD1 ILE 48 2HD1 ILE 48 -1.075 -5.988 -13.815 1072 3HD1 ILE 48 3HD1 ILE 48 -2.702 -5.496 -14.286 1073 H VAL 49 H VAL 49 -2.666 -8.050 -8.457 1074 HA VAL 49 HA VAL 49 -3.489 -6.073 -6.349 1075 HB VAL 49 HB VAL 49 -3.092 -9.070 -6.080 1076 1HG1 VAL 49 1HG1 VAL 49 -3.079 -8.504 -3.890 1077 2HG1 VAL 49 2HG1 VAL 49 -3.601 -6.855 -4.233 1078 3HG1 VAL 49 3HG1 VAL 49 -4.794 -8.147 -4.091 1079 1HG2 VAL 49 1HG2 VAL 49 -5.767 -7.692 -6.037 1080 2HG2 VAL 49 2HG2 VAL 49 -5.047 -8.153 -7.579 1081 3HG2 VAL 49 3HG2 VAL 49 -5.395 -9.384 -6.366 1082 H THR 50 H THR 50 -1.690 -5.064 -5.541 1083 HA THR 50 HA THR 50 0.973 -6.345 -5.843 1084 HB THR 50 HB THR 50 -0.043 -3.599 -5.071 1085 HG1 THR 50 HG1 THR 50 1.085 -3.093 -7.019 1086 1HG2 THR 50 1HG2 THR 50 1.903 -3.742 -3.770 1087 2HG2 THR 50 2HG2 THR 50 2.724 -4.771 -4.944 1088 3HG2 THR 50 3HG2 THR 50 2.497 -3.054 -5.281 1089 H LEU 51 H LEU 51 2.355 -6.690 -4.000 1090 HA LEU 51 HA LEU 51 1.049 -6.448 -1.319 1091 1HB LEU 51 1HB LEU 51 1.843 -8.827 -2.859 1092 2HB LEU 51 2HB LEU 51 2.473 -8.812 -1.211 1093 HG LEU 51 HG LEU 51 -0.307 -7.936 -1.317 1094 1HD1 LEU 51 1HD1 LEU 51 -0.880 -10.552 -1.643 1095 2HD1 LEU 51 2HD1 LEU 51 -0.913 -9.400 -2.977 1096 3HD1 LEU 51 3HD1 LEU 51 0.500 -10.426 -2.732 1097 1HD2 LEU 51 1HD2 LEU 51 -0.475 -9.765 0.413 1098 2HD2 LEU 51 2HD2 LEU 51 1.218 -10.146 0.094 1099 3HD2 LEU 51 3HD2 LEU 51 0.778 -8.570 0.753 1100 H THR 52 H THR 52 2.444 -5.588 0.169 1101 HA THR 52 HA THR 52 5.287 -5.189 -0.629 1102 HB THR 52 HB THR 52 5.180 -3.558 1.290 1103 HG1 THR 52 HG1 THR 52 3.447 -3.484 2.494 1104 1HG2 THR 52 1HG2 THR 52 4.751 -2.425 -0.663 1105 2HG2 THR 52 2HG2 THR 52 3.419 -3.491 -1.111 1106 3HG2 THR 52 3HG2 THR 52 3.174 -2.234 0.102 1107 H TYR 53 H TYR 53 6.952 -6.202 0.471 1108 HA TYR 53 HA TYR 53 6.194 -7.910 2.819 1109 1HB TYR 53 1HB TYR 53 8.097 -8.220 0.498 1110 2HB TYR 53 2HB TYR 53 8.312 -9.173 1.967 1111 HD1 TYR 53 HD1 TYR 53 5.808 -8.289 -0.662 1112 HD2 TYR 53 HD2 TYR 53 6.997 -11.092 2.368 1113 HE1 TYR 53 HE1 TYR 53 4.035 -9.852 -1.414 1114 HE2 TYR 53 HE2 TYR 53 5.225 -12.656 1.617 1115 HH TYR 53 HH TYR 53 3.756 -12.532 -1.246 1116 H ASP 54 H ASP 54 7.758 -8.015 4.552 1117 HA ASP 54 HA ASP 54 9.300 -5.521 4.895 1118 1HB ASP 54 1HB ASP 54 8.296 -7.792 6.573 1119 2HB ASP 54 2HB ASP 54 9.623 -6.814 7.199 1120 H SER 55 H SER 55 9.912 -8.773 3.934 1121 HA SER 55 HA SER 55 12.845 -8.254 4.141 1122 1HB SER 55 1HB SER 55 11.628 -10.922 4.844 1123 2HB SER 55 2HB SER 55 13.217 -10.294 5.271 1124 HG SER 55 HG SER 55 12.365 -9.289 6.916 1125 H GLU 56 H GLU 56 14.072 -9.386 2.525 1126 HA GLU 56 HA GLU 56 12.663 -9.893 0.046 1127 1HB GLU 56 1HB GLU 56 15.453 -9.947 1.108 1128 2HB GLU 56 2HB GLU 56 15.147 -10.803 -0.404 1129 1HG GLU 56 1HG GLU 56 13.825 -8.520 -0.941 1130 2HG GLU 56 2HG GLU 56 15.037 -7.886 0.174 1131 H TRP 57 H TRP 57 14.568 -12.059 2.199 1132 HA TRP 57 HA TRP 57 14.050 -14.483 0.857 1133 1HB TRP 57 1HB TRP 57 14.487 -15.484 3.115 1134 2HB TRP 57 2HB TRP 57 15.656 -14.241 2.676 1135 HD1 TRP 57 HD1 TRP 57 12.326 -14.493 4.641 1136 HE1 TRP 57 HE1 TRP 57 12.444 -12.850 6.623 1137 HE3 TRP 57 HE3 TRP 57 16.893 -12.381 3.765 1138 HZ2 TRP 57 HZ2 TRP 57 14.238 -10.901 7.699 1139 HZ3 TRP 57 HZ3 TRP 57 17.783 -10.637 5.286 1140 HH2 TRP 57 HH2 TRP 57 16.463 -9.896 7.251 1141 H GLN 58 H GLN 58 12.026 -12.698 3.162 1142 HA GLN 58 HA GLN 58 10.070 -14.661 3.712 1143 1HB GLN 58 1HB GLN 58 10.401 -12.310 4.658 1144 2HB GLN 58 2HB GLN 58 9.554 -11.715 3.229 1145 1HG GLN 58 1HG GLN 58 7.535 -12.756 3.836 1146 2HG GLN 58 2HG GLN 58 8.340 -13.887 4.926 1147 1HE2 GLN 58 2HE2 GLN 58 6.194 -11.592 5.281 1148 2HE2 GLN 58 1HE2 GLN 58 6.769 -10.763 6.647 1149 H ARG 59 H ARG 59 10.358 -12.471 0.913 1150 HA ARG 59 HA ARG 59 7.851 -13.040 -0.321 1151 1HB ARG 59 1HB ARG 59 9.404 -11.229 -0.956 1152 2HB ARG 59 2HB ARG 59 10.582 -12.421 -1.501 1153 1HG ARG 59 1HG ARG 59 8.987 -13.235 -3.194 1154 2HG ARG 59 2HG ARG 59 7.801 -12.048 -2.650 1155 1HD ARG 59 1HD ARG 59 9.052 -11.247 -4.660 1156 2HD ARG 59 2HD ARG 59 9.365 -10.214 -3.251 1157 HE ARG 59 HE ARG 59 11.205 -12.485 -3.868 1158 1HH1 ARG 59 1HH2 ARG 59 11.236 -9.558 -5.148 1159 2HH1 ARG 59 2HH2 ARG 59 12.588 -8.911 -4.279 1160 1HH2 ARG 59 2HH1 ARG 59 12.660 -11.481 -1.951 1161 2HH2 ARG 59 1HH1 ARG 59 13.395 -10.001 -2.469 1162 H ASP 60 H ASP 60 10.985 -14.722 -0.510 1163 HA ASP 60 HA ASP 60 10.316 -16.609 -2.539 1164 1HB ASP 60 1HB ASP 60 12.169 -16.662 -0.142 1165 2HB ASP 60 2HB ASP 60 12.175 -17.909 -1.388 1166 H GLN 61 H GLN 61 9.873 -16.710 0.996 1167 HA GLN 61 HA GLN 61 8.918 -19.412 1.151 1168 1HB GLN 61 1HB GLN 61 8.451 -16.951 2.866 1169 2HB GLN 61 2HB GLN 61 8.086 -18.603 3.369 1170 1HG GLN 61 1HG GLN 61 10.458 -19.222 3.054 1171 2HG GLN 61 2HG GLN 61 10.822 -17.565 2.572 1172 1HE2 GLN 61 2HE2 GLN 61 11.369 -16.142 4.241 1173 2HE2 GLN 61 1HE2 GLN 61 11.098 -16.437 5.891 1174 H PHE 62 H PHE 62 7.217 -16.299 0.765 1175 HA PHE 62 HA PHE 62 4.546 -17.195 0.974 1176 1HB PHE 62 1HB PHE 62 5.346 -14.843 0.821 1177 2HB PHE 62 2HB PHE 62 5.756 -15.109 -0.874 1178 HD1 PHE 62 HD1 PHE 62 2.922 -15.137 1.554 1179 HD2 PHE 62 HD2 PHE 62 4.106 -14.958 -2.572 1180 HE1 PHE 62 HE1 PHE 62 0.584 -14.622 0.904 1181 HE2 PHE 62 HE2 PHE 62 1.768 -14.443 -3.222 1182 HZ PHE 62 HZ PHE 62 0.007 -14.274 -1.484 1183 H LEU 63 H LEU 63 6.774 -17.215 -1.801 1184 HA LEU 63 HA LEU 63 4.958 -18.078 -3.814 1185 1HB LEU 63 1HB LEU 63 7.905 -18.668 -3.366 1186 2HB LEU 63 2HB LEU 63 7.061 -18.876 -4.901 1187 HG LEU 63 HG LEU 63 7.118 -16.241 -3.419 1188 1HD1 LEU 63 1HD1 LEU 63 9.288 -17.546 -4.720 1189 2HD1 LEU 63 2HD1 LEU 63 8.746 -16.244 -5.782 1190 3HD1 LEU 63 3HD1 LEU 63 9.225 -15.888 -4.122 1191 1HD2 LEU 63 1HD2 LEU 63 5.838 -15.501 -5.129 1192 2HD2 LEU 63 2HD2 LEU 63 6.902 -16.240 -6.325 1193 3HD2 LEU 63 3HD2 LEU 63 5.619 -17.193 -5.580 1194 H SER 64 H SER 64 6.517 -19.822 -1.194 1195 HA SER 64 HA SER 64 5.634 -22.449 -2.284 1196 1HB SER 64 1HB SER 64 6.923 -23.183 -0.164 1197 2HB SER 64 2HB SER 64 7.861 -22.433 -1.452 1198 HG SER 64 HG SER 64 8.440 -21.127 0.098 1199 H GLN 65 H GLN 65 4.439 -19.979 -0.332 1200 HA GLN 65 HA GLN 65 2.920 -21.770 1.491 1201 1HB GLN 65 1HB GLN 65 3.050 -18.749 1.199 1202 2HB GLN 65 2HB GLN 65 2.291 -19.618 2.531 1203 1HG GLN 65 1HG GLN 65 5.111 -20.332 1.945 1204 2HG GLN 65 2HG GLN 65 4.841 -18.723 2.618 1205 1HE2 GLN 65 2HE2 GLN 65 5.435 -21.856 3.538 1206 2HE2 GLN 65 1HE2 GLN 65 4.741 -21.837 5.086 1207 H VAL 66 H VAL 66 2.505 -19.717 -1.330 1208 HA VAL 66 HA VAL 66 -0.364 -20.577 -1.475 1209 HB VAL 66 HB VAL 66 -0.828 -18.306 -2.364 1210 1HG1 VAL 66 1HG1 VAL 66 -0.885 -17.277 -0.278 1211 2HG1 VAL 66 2HG1 VAL 66 -0.652 -18.961 0.192 1212 3HG1 VAL 66 3HG1 VAL 66 0.722 -17.855 0.164 1213 1HG2 VAL 66 1HG2 VAL 66 1.600 -17.016 -1.520 1214 2HG2 VAL 66 2HG2 VAL 66 1.999 -18.285 -2.677 1215 3HG2 VAL 66 3HG2 VAL 66 0.857 -17.016 -3.119 1216 H LYS 67 H LYS 67 0.382 -22.276 -2.954 1217 HA LYS 67 HA LYS 67 2.012 -22.137 -5.175 1218 1HB LYS 67 1HB LYS 67 0.347 -23.776 -6.169 1219 2HB LYS 67 2HB LYS 67 0.840 -24.146 -4.516 1220 1HG LYS 67 1HG LYS 67 -1.192 -23.023 -3.663 1221 2HG LYS 67 2HG LYS 67 -1.693 -22.686 -5.322 1222 1HD LYS 67 1HD LYS 67 -1.325 -25.316 -5.579 1223 2HD LYS 67 2HD LYS 67 -1.648 -25.283 -3.845 1224 1HE LYS 67 1HE LYS 67 -3.811 -25.514 -4.764 1225 2HE LYS 67 2HE LYS 67 -3.686 -23.759 -4.533 1226 1HZ LYS 67 1HZ LYS 67 -2.512 -24.722 -6.988 1227 2HZ LYS 67 2HZ LYS 67 -3.537 -23.393 -6.725 1228 3HZ LYS 67 3HZ LYS 67 -4.191 -24.952 -6.901 1229 H ILE 68 H ILE 68 1.966 -21.089 -7.149 1230 HA ILE 68 HA ILE 68 -0.157 -19.088 -7.609 1231 HB ILE 68 HB ILE 68 2.611 -19.698 -8.504 1232 1HG1 ILE 68 1HG1 ILE 68 2.753 -17.209 -8.337 1233 2HG1 ILE 68 2HG1 ILE 68 1.030 -17.166 -7.961 1234 1HG2 ILE 68 1HG2 ILE 68 0.498 -18.608 -10.329 1235 2HG2 ILE 68 2HG2 ILE 68 2.119 -17.916 -10.405 1236 3HG2 ILE 68 3HG2 ILE 68 1.880 -19.637 -10.707 1237 1HD1 ILE 68 1HD1 ILE 68 3.050 -18.750 -6.352 1238 2HD1 ILE 68 2HD1 ILE 68 2.535 -17.116 -5.933 1239 3HD1 ILE 68 3HD1 ILE 68 1.365 -18.435 -5.936 1240 HA PRO 69 HA PRO 69 -2.336 -21.611 -10.470 1241 1HB PRO 69 1HB PRO 69 -3.505 -19.686 -12.028 1242 2HB PRO 69 2HB PRO 69 -4.057 -20.068 -10.385 1243 1HG PRO 69 1HG PRO 69 -2.321 -17.840 -11.327 1244 2HG PRO 69 2HG PRO 69 -3.617 -17.827 -10.120 1245 1HD PRO 69 1HD PRO 69 -0.991 -17.880 -9.453 1246 2HD PRO 69 2HD PRO 69 -2.257 -18.624 -8.454 1247 H LYS 70 H LYS 70 -2.814 -20.997 -13.193 1248 HA LYS 70 HA LYS 70 -0.044 -21.223 -14.295 1249 1HB LYS 70 1HB LYS 70 -2.762 -22.277 -14.942 1250 2HB LYS 70 2HB LYS 70 -1.656 -22.020 -16.292 1251 1HG LYS 70 1HG LYS 70 -0.158 -23.256 -14.219 1252 2HG LYS 70 2HG LYS 70 -1.664 -24.160 -14.376 1253 1HD LYS 70 1HD LYS 70 -1.280 -24.622 -16.670 1254 2HD LYS 70 2HD LYS 70 -0.027 -23.387 -16.792 1255 1HE LYS 70 1HE LYS 70 0.679 -25.276 -14.719 1256 2HE LYS 70 2HE LYS 70 0.365 -26.129 -16.244 1257 1HZ LYS 70 1HZ LYS 70 2.017 -23.671 -16.022 1258 2HZ LYS 70 2HZ LYS 70 1.808 -24.642 -17.401 1259 3HZ LYS 70 3HZ LYS 70 2.663 -25.238 -16.059 1260 H THR 71 H THR 71 -1.603 -18.649 -13.666 1261 HA THR 71 HA THR 71 -1.031 -17.336 -16.259 1262 HB THR 71 HB THR 71 -3.430 -16.296 -16.001 1263 HG1 THR 71 HG1 THR 71 -3.911 -17.235 -14.025 1264 1HG2 THR 71 1HG2 THR 71 -2.633 -17.798 -17.836 1265 2HG2 THR 71 2HG2 THR 71 -3.111 -19.185 -16.857 1266 3HG2 THR 71 3HG2 THR 71 -4.330 -18.045 -17.428 1267 H ILE 72 H ILE 72 -0.800 -17.266 -12.948 1268 HA ILE 72 HA ILE 72 -1.155 -14.332 -12.670 1269 HB ILE 72 HB ILE 72 -0.686 -16.685 -10.837 1270 1HG1 ILE 72 1HG1 ILE 72 -2.991 -16.047 -11.671 1271 2HG1 ILE 72 2HG1 ILE 72 -2.820 -16.023 -9.914 1272 1HG2 ILE 72 1HG2 ILE 72 0.185 -13.953 -10.432 1273 2HG2 ILE 72 2HG2 ILE 72 -1.066 -14.378 -9.264 1274 3HG2 ILE 72 3HG2 ILE 72 0.399 -15.353 -9.380 1275 1HD1 ILE 72 1HD1 ILE 72 -3.758 -13.926 -11.482 1276 2HD1 ILE 72 2HD1 ILE 72 -3.206 -13.798 -9.811 1277 3HD1 ILE 72 3HD1 ILE 72 -2.090 -13.469 -11.136 1278 H THR 73 H THR 73 0.607 -13.046 -13.062 1279 HA THR 73 HA THR 73 3.313 -14.269 -13.092 1280 HB THR 73 HB THR 73 2.634 -11.419 -13.780 1281 HG1 THR 73 HG1 THR 73 1.976 -13.772 -15.198 1282 1HG2 THR 73 1HG2 THR 73 4.746 -11.518 -14.540 1283 2HG2 THR 73 2HG2 THR 73 4.844 -13.227 -14.117 1284 3HG2 THR 73 3HG2 THR 73 4.243 -12.745 -15.704 1285 H VAL 74 H VAL 74 4.744 -13.919 -11.458 1286 HA VAL 74 HA VAL 74 4.093 -11.825 -9.410 1287 HB VAL 74 HB VAL 74 4.012 -14.053 -8.498 1288 1HG1 VAL 74 1HG1 VAL 74 6.452 -15.255 -8.778 1289 2HG1 VAL 74 2HG1 VAL 74 5.062 -15.592 -9.808 1290 3HG1 VAL 74 3HG1 VAL 74 6.293 -14.445 -10.336 1291 1HG2 VAL 74 1HG2 VAL 74 5.451 -12.188 -7.352 1292 2HG2 VAL 74 2HG2 VAL 74 5.566 -13.843 -6.751 1293 3HG2 VAL 74 3HG2 VAL 74 6.818 -13.202 -7.815 1294 H SER 75 H SER 75 5.338 -10.043 -10.240 1295 HA SER 75 HA SER 75 8.166 -10.605 -10.987 1296 1HB SER 75 1HB SER 75 6.056 -8.738 -11.718 1297 2HB SER 75 2HB SER 75 7.549 -7.889 -11.330 1298 HG SER 75 HG SER 75 6.933 -9.314 -13.508 1299 H THR 76 H THR 76 9.698 -8.725 -10.250 1300 HA THR 76 HA THR 76 9.282 -8.319 -7.313 1301 HB THR 76 HB THR 76 11.699 -8.285 -7.210 1302 HG1 THR 76 HG1 THR 76 11.697 -8.436 -10.036 1303 1HG2 THR 76 1HG2 THR 76 11.967 -10.415 -8.984 1304 2HG2 THR 76 2HG2 THR 76 11.490 -10.526 -7.290 1305 3HG2 THR 76 3HG2 THR 76 10.258 -10.436 -8.548 1306 H GLY 77 H GLY 77 9.770 -6.211 -6.426 1307 1HA GLY 77 1HA GLY 77 10.484 -4.002 -8.195 1308 2HA GLY 77 2HA GLY 77 8.800 -3.961 -7.670 1309 H PHE 78 H PHE 78 10.097 -1.847 -6.796 1310 HA PHE 78 HA PHE 78 10.474 -2.387 -3.894 1311 1HB PHE 78 1HB PHE 78 12.462 -0.996 -5.723 1312 2HB PHE 78 2HB PHE 78 12.597 -1.067 -3.966 1313 HD1 PHE 78 HD1 PHE 78 13.535 -2.645 -6.982 1314 HD2 PHE 78 HD2 PHE 78 12.387 -3.513 -2.933 1315 HE1 PHE 78 HE1 PHE 78 14.622 -4.870 -7.151 1316 HE2 PHE 78 HE2 PHE 78 13.473 -5.738 -3.103 1317 HZ PHE 78 HZ PHE 78 14.590 -6.415 -5.210 1318 H MET 79 H MET 79 9.689 -0.676 -2.650 1319 HA MET 79 HA MET 79 8.940 1.836 -4.112 1320 1HB MET 79 1HB MET 79 7.416 -0.087 -2.447 1321 2HB MET 79 2HB MET 79 7.093 1.615 -2.117 1322 1HG MET 79 1HG MET 79 7.087 1.612 -4.846 1323 2HG MET 79 2HG MET 79 6.445 0.005 -4.509 1324 1HE MET 79 1HE MET 79 3.401 0.549 -2.331 1325 2HE MET 79 2HE MET 79 4.638 -0.534 -2.963 1326 3HE MET 79 3HE MET 79 5.007 0.537 -1.606 1327 H SER 80 H SER 80 9.473 3.741 -3.035 1328 HA SER 80 HA SER 80 10.592 3.475 -0.263 1329 1HB SER 80 1HB SER 80 11.567 5.431 -2.339 1330 2HB SER 80 2HB SER 80 12.415 4.823 -0.922 1331 HG SER 80 HG SER 80 13.050 3.880 -2.982 1332 H ILE 81 HN ILE 81 8.856 4.382 0.879 1333 HA ILE 81 HA ILE 81 7.551 6.846 -0.103 1334 HB ILE 81 HB ILE 81 7.223 5.083 2.345 1335 1HG1 ILE 81 1HG1 ILE 81 5.004 5.264 0.469 1336 2HG1 ILE 81 2HG1 ILE 81 6.476 4.712 -0.332 1337 1HG2 ILE 81 1HG2 ILE 81 5.483 7.364 1.358 1338 2HG2 ILE 81 2HG2 ILE 81 5.140 6.324 2.741 1339 3HG2 ILE 81 3HG2 ILE 81 6.519 7.423 2.783 1340 1HD1 ILE 81 1HD1 ILE 81 4.766 3.118 1.154 1341 2HD1 ILE 81 2HD1 ILE 81 6.430 2.715 0.731 1342 3HD1 ILE 81 3HD1 ILE 81 6.073 3.465 2.288 Start of MODEL 7 1 1H MET 1 1H MET 1 16.588 1.146 -13.719 2 2H MET 1 2H MET 1 16.117 2.777 -13.686 3 3H MET 1 3H MET 1 15.804 1.827 -15.059 4 HA MET 1 HA MET 1 14.253 0.458 -13.804 5 1HB MET 1 1HB MET 1 15.535 2.102 -11.668 6 2HB MET 1 2HB MET 1 13.845 1.656 -11.432 7 1HG MET 1 1HG MET 1 14.335 -0.547 -11.129 8 2HG MET 1 2HG MET 1 15.584 -0.539 -12.374 9 1HE MET 1 1HE MET 1 15.940 -1.010 -8.178 10 2HE MET 1 2HE MET 1 15.159 0.566 -8.283 11 3HE MET 1 3HE MET 1 14.509 -0.809 -9.188 12 H THR 2 H THR 2 11.995 1.246 -13.324 13 HA THR 2 HA THR 2 11.491 3.807 -14.746 14 HB THR 2 HB THR 2 9.167 2.890 -14.797 15 HG1 THR 2 HG1 THR 2 9.142 1.728 -12.911 16 1HG2 THR 2 1HG2 THR 2 10.718 2.307 -16.594 17 2HG2 THR 2 2HG2 THR 2 9.693 0.922 -16.218 18 3HG2 THR 2 3HG2 THR 2 11.358 0.973 -15.635 19 HA PRO 3 HA PRO 3 11.179 5.567 -10.595 20 1HB PRO 3 1HB PRO 3 10.390 8.039 -11.458 21 2HB PRO 3 2HB PRO 3 12.088 7.520 -11.444 22 1HG PRO 3 1HG PRO 3 10.163 7.635 -13.710 23 2HG PRO 3 2HG PRO 3 11.887 8.037 -13.671 24 1HD PRO 3 1HD PRO 3 10.920 5.702 -14.675 25 2HD PRO 3 2HD PRO 3 12.536 5.860 -13.955 26 H ILE 4 H ILE 4 9.299 6.254 -9.352 27 HA ILE 4 HA ILE 4 6.670 6.149 -10.760 28 HB ILE 4 HB ILE 4 5.902 4.501 -9.049 29 1HG1 ILE 4 1HG1 ILE 4 8.755 3.977 -8.313 30 2HG1 ILE 4 2HG1 ILE 4 7.929 5.319 -7.520 31 1HG2 ILE 4 1HG2 ILE 4 7.056 3.928 -11.327 32 2HG2 ILE 4 2HG2 ILE 4 6.809 2.639 -10.148 33 3HG2 ILE 4 3HG2 ILE 4 8.396 3.390 -10.315 34 1HD1 ILE 4 1HD1 ILE 4 6.358 2.822 -7.678 35 2HD1 ILE 4 2HD1 ILE 4 6.566 3.938 -6.329 36 3HD1 ILE 4 3HD1 ILE 4 7.799 2.725 -6.667 37 H VAL 5 H VAL 5 4.891 6.565 -8.936 38 HA VAL 5 HA VAL 5 5.891 8.476 -6.878 39 HB VAL 5 HB VAL 5 4.029 9.019 -9.200 40 1HG1 VAL 5 1HG1 VAL 5 3.230 9.825 -6.825 41 2HG1 VAL 5 2HG1 VAL 5 3.199 10.951 -8.179 42 3HG1 VAL 5 3HG1 VAL 5 4.515 11.018 -7.008 43 1HG2 VAL 5 1HG2 VAL 5 6.429 10.537 -8.137 44 2HG2 VAL 5 2HG2 VAL 5 5.574 10.837 -9.649 45 3HG2 VAL 5 3HG2 VAL 5 6.509 9.357 -9.443 46 H HIS 6 H HIS 6 4.668 8.345 -5.015 47 HA HIS 6 HA HIS 6 2.225 6.618 -5.090 48 1HB HIS 6 1HB HIS 6 4.539 6.953 -3.375 49 2HB HIS 6 2HB HIS 6 3.055 7.159 -2.445 50 HD1 HIS 6 HD1 HIS 6 2.988 4.892 -1.289 51 HD2 HIS 6 HD2 HIS 6 3.391 4.573 -5.426 52 HE1 HIS 6 HE1 HIS 6 2.690 2.439 -1.852 53 H LEU 7 H LEU 7 0.304 7.725 -4.977 54 HA LEU 7 HA LEU 7 0.305 10.428 -3.674 55 1HB LEU 7 1HB LEU 7 -1.011 9.199 -6.064 56 2HB LEU 7 2HB LEU 7 -1.875 10.478 -5.211 57 HG LEU 7 HG LEU 7 0.717 11.461 -5.390 58 1HD1 LEU 7 1HD1 LEU 7 1.340 11.199 -7.749 59 2HD1 LEU 7 2HD1 LEU 7 -0.055 10.154 -8.018 60 3HD1 LEU 7 3HD1 LEU 7 1.258 9.620 -6.969 61 1HD2 LEU 7 1HD2 LEU 7 -1.596 12.529 -5.786 62 2HD2 LEU 7 2HD2 LEU 7 -1.431 11.979 -7.453 63 3HD2 LEU 7 3HD2 LEU 7 -0.267 13.121 -6.782 64 H LYS 8 H LYS 8 -0.819 10.491 -1.766 65 HA LYS 8 HA LYS 8 -3.218 8.735 -1.454 66 1HB LYS 8 1HB LYS 8 -1.332 7.554 -0.471 67 2HB LYS 8 2HB LYS 8 -0.833 9.002 0.404 68 1HG LYS 8 1HG LYS 8 -2.990 8.965 1.646 69 2HG LYS 8 2HG LYS 8 -3.415 7.466 0.818 70 1HD LYS 8 1HD LYS 8 -1.645 6.264 1.858 71 2HD LYS 8 2HD LYS 8 -0.855 7.746 2.398 72 1HE LYS 8 1HE LYS 8 -3.416 7.914 3.511 73 2HE LYS 8 2HE LYS 8 -2.958 6.211 3.715 74 1HZ LYS 8 1HZ LYS 8 -0.933 6.820 4.728 75 2HZ LYS 8 2HZ LYS 8 -2.119 7.771 5.485 76 3HZ LYS 8 3HZ LYS 8 -1.107 8.452 4.303 77 H GLY 9 H GLY 9 -4.540 9.467 0.477 78 1HA GLY 9 1HA GLY 9 -4.476 11.505 2.159 79 2HA GLY 9 2HA GLY 9 -4.460 12.433 0.658 80 H ASP 10 H ASP 10 -6.519 13.365 0.941 81 HA ASP 10 HA ASP 10 -8.884 11.937 1.704 82 1HB ASP 10 1HB ASP 10 -8.050 14.554 1.034 83 2HB ASP 10 2HB ASP 10 -9.375 14.173 -0.066 84 H ALA 11 H ALA 11 -9.920 10.385 0.526 85 HA ALA 11 HA ALA 11 -9.295 9.487 -2.044 86 1HB ALA 11 1HB ALA 11 -11.480 8.392 -1.923 87 2HB ALA 11 2HB ALA 11 -10.748 8.405 -0.318 88 3HB ALA 11 3HB ALA 11 -12.022 9.558 -0.715 89 H ASN 12 H ASN 12 -11.532 12.093 -1.125 90 HA ASN 12 HA ASN 12 -12.588 12.479 -3.805 91 1HB ASN 12 1HB ASN 12 -12.727 13.728 -1.112 92 2HB ASN 12 2HB ASN 12 -13.102 14.786 -2.473 93 1HD2 ASN 12 1HD2 ASN 12 -15.389 14.863 -2.367 94 2HD2 ASN 12 2HD2 ASN 12 -16.382 13.490 -2.441 95 H THR 13 H THR 13 -10.120 14.168 -1.839 96 HA THR 13 HA THR 13 -9.512 16.265 -3.646 97 HB THR 13 HB THR 13 -7.818 14.703 -1.676 98 HG1 THR 13 HG1 THR 13 -8.276 16.689 -0.470 99 1HG2 THR 13 1HG2 THR 13 -6.185 16.415 -1.785 100 2HG2 THR 13 2HG2 THR 13 -7.250 17.487 -2.693 101 3HG2 THR 13 3HG2 THR 13 -6.563 16.061 -3.471 102 H LEU 14 H LEU 14 -8.613 12.869 -3.720 103 HA LEU 14 HA LEU 14 -6.513 13.233 -5.740 104 1HB LEU 14 1HB LEU 14 -7.938 10.885 -4.462 105 2HB LEU 14 2HB LEU 14 -6.690 10.678 -5.692 106 HG LEU 14 HG LEU 14 -6.112 12.438 -3.336 107 1HD1 LEU 14 1HD1 LEU 14 -5.892 9.412 -3.328 108 2HD1 LEU 14 2HD1 LEU 14 -7.059 10.345 -2.391 109 3HD1 LEU 14 3HD1 LEU 14 -5.334 10.497 -2.054 110 1HD2 LEU 14 1HD2 LEU 14 -3.891 10.972 -3.857 111 2HD2 LEU 14 2HD2 LEU 14 -4.266 12.477 -4.696 112 3HD2 LEU 14 3HD2 LEU 14 -4.660 10.929 -5.444 113 H LYS 15 H LYS 15 -9.927 12.282 -5.647 114 HA LYS 15 HA LYS 15 -10.201 11.287 -8.300 115 1HB LYS 15 1HB LYS 15 -11.790 11.367 -6.231 116 2HB LYS 15 2HB LYS 15 -12.277 12.939 -6.866 117 1HG LYS 15 1HG LYS 15 -13.245 12.030 -8.765 118 2HG LYS 15 2HG LYS 15 -12.196 10.612 -8.747 119 1HD LYS 15 1HD LYS 15 -13.726 10.622 -6.328 120 2HD LYS 15 2HD LYS 15 -14.832 10.855 -7.683 121 1HE LYS 15 1HE LYS 15 -13.599 8.888 -8.812 122 2HE LYS 15 2HE LYS 15 -12.922 8.557 -7.204 123 1HZ LYS 15 1HZ LYS 15 -15.783 9.124 -7.373 124 2HZ LYS 15 2HZ LYS 15 -14.947 8.070 -6.333 125 3HZ LYS 15 3HZ LYS 15 -15.267 7.609 -7.937 126 H CYS 16 H CYS 16 -10.353 14.607 -7.020 127 HA CYS 16 HA CYS 16 -11.140 15.850 -9.506 128 1HB CYS 16 1HB CYS 16 -11.373 16.750 -7.164 129 2HB CYS 16 2HB CYS 16 -9.628 17.004 -7.143 130 HG CYS 16 HG CYS 16 -10.965 18.333 -9.546 131 H LEU 17 H LEU 17 -7.982 15.205 -7.981 132 HA LEU 17 HA LEU 17 -6.335 16.723 -9.729 133 1HB LEU 17 1HB LEU 17 -5.969 14.144 -8.185 134 2HB LEU 17 2HB LEU 17 -4.637 14.926 -9.038 135 HG LEU 17 HG LEU 17 -6.336 16.520 -7.136 136 1HD1 LEU 17 1HD1 LEU 17 -5.604 15.365 -5.348 137 2HD1 LEU 17 2HD1 LEU 17 -3.938 15.660 -5.842 138 3HD1 LEU 17 3HD1 LEU 17 -4.787 14.223 -6.415 139 1HD2 LEU 17 1HD2 LEU 17 -3.686 17.268 -6.926 140 2HD2 LEU 17 2HD2 LEU 17 -4.870 18.038 -7.981 141 3HD2 LEU 17 3HD2 LEU 17 -3.805 16.784 -8.617 142 H ARG 18 H ARG 18 -7.285 13.283 -9.956 143 HA ARG 18 HA ARG 18 -6.004 12.509 -12.304 144 1HB ARG 18 1HB ARG 18 -7.556 11.229 -10.718 145 2HB ARG 18 2HB ARG 18 -8.895 11.889 -11.656 146 1HG ARG 18 1HG ARG 18 -7.756 10.947 -13.727 147 2HG ARG 18 2HG ARG 18 -6.671 10.086 -12.635 148 1HD ARG 18 1HD ARG 18 -9.611 9.836 -12.129 149 2HD ARG 18 2HD ARG 18 -8.922 8.937 -13.496 150 HE ARG 18 HE ARG 18 -7.250 7.999 -11.853 151 1HH1 ARG 18 1HH2 ARG 18 -10.379 7.582 -11.284 152 2HH1 ARG 18 2HH2 ARG 18 -10.317 7.548 -9.554 153 1HH2 ARG 18 1HH1 ARG 18 -7.072 8.757 -9.382 154 2HH2 ARG 18 2HH1 ARG 18 -8.445 8.213 -8.476 155 H TYR 19 H TYR 19 -8.777 14.656 -11.965 156 HA TYR 19 HA TYR 19 -9.689 14.634 -14.680 157 1HB TYR 19 1HB TYR 19 -10.958 15.508 -12.771 158 2HB TYR 19 2HB TYR 19 -9.740 16.756 -12.513 159 HD1 TYR 19 HD1 TYR 19 -12.457 15.594 -14.728 160 HD2 TYR 19 HD2 TYR 19 -9.572 18.686 -13.972 161 HE1 TYR 19 HE1 TYR 19 -13.617 17.072 -16.349 162 HE2 TYR 19 HE2 TYR 19 -10.730 20.163 -15.593 163 HH TYR 19 HH TYR 19 -13.491 20.103 -16.482 164 H ARG 20 H ARG 20 -7.300 16.691 -12.997 165 HA ARG 20 HA ARG 20 -6.755 18.377 -15.285 166 1HB ARG 20 1HB ARG 20 -5.251 17.714 -12.734 167 2HB ARG 20 2HB ARG 20 -4.783 19.006 -13.840 168 1HG ARG 20 1HG ARG 20 -6.628 20.311 -13.318 169 2HG ARG 20 2HG ARG 20 -7.615 18.919 -12.870 170 1HD ARG 20 1HD ARG 20 -6.288 18.622 -10.807 171 2HD ARG 20 2HD ARG 20 -5.288 20.021 -11.251 172 HE ARG 20 HE ARG 20 -7.907 20.192 -10.093 173 1HH1 ARG 20 1HH1 ARG 20 -5.437 21.985 -11.417 174 2HH1 ARG 20 2HH1 ARG 20 -6.423 23.308 -11.947 175 1HH2 ARG 20 1HH2 ARG 20 -9.417 21.690 -11.272 176 2HH2 ARG 20 2HH2 ARG 20 -8.678 23.139 -11.864 177 H PHE 21 H PHE 21 -5.566 15.257 -14.204 178 HA PHE 21 HA PHE 21 -3.112 15.187 -15.703 179 1HB PHE 21 1HB PHE 21 -5.013 13.001 -14.794 180 2HB PHE 21 2HB PHE 21 -3.345 12.742 -15.300 181 HD1 PHE 21 HD1 PHE 21 -3.198 15.844 -13.837 182 HD2 PHE 21 HD2 PHE 21 -3.808 11.735 -12.735 183 HE1 PHE 21 HE1 PHE 21 -2.426 16.345 -11.538 184 HE2 PHE 21 HE2 PHE 21 -3.032 12.238 -10.435 185 HZ PHE 21 HZ PHE 21 -2.341 14.543 -9.835 186 H LYS 22 H LYS 22 -6.447 14.868 -16.641 187 HA LYS 22 HA LYS 22 -6.179 13.248 -18.982 188 1HB LYS 22 1HB LYS 22 -8.065 15.518 -18.265 189 2HB LYS 22 2HB LYS 22 -8.339 14.361 -19.569 190 1HG LYS 22 1HG LYS 22 -7.844 13.459 -16.731 191 2HG LYS 22 2HG LYS 22 -9.463 13.850 -17.311 192 1HD LYS 22 1HD LYS 22 -9.505 12.071 -18.813 193 2HD LYS 22 2HD LYS 22 -7.746 11.988 -18.919 194 1HE LYS 22 1HE LYS 22 -8.609 10.074 -17.616 195 2HE LYS 22 2HE LYS 22 -7.682 11.155 -16.556 196 1HZ LYS 22 1HZ LYS 22 -10.442 11.915 -16.881 197 2HZ LYS 22 2HZ LYS 22 -9.512 11.791 -15.463 198 3HZ LYS 22 3HZ LYS 22 -10.246 10.409 -16.125 199 H LYS 23 H LYS 23 -5.483 16.643 -18.376 200 HA LYS 23 HA LYS 23 -5.370 17.440 -21.170 201 1HB LYS 23 1HB LYS 23 -4.085 18.686 -18.720 202 2HB LYS 23 2HB LYS 23 -4.523 19.505 -20.219 203 1HG LYS 23 1HG LYS 23 -6.405 18.279 -18.188 204 2HG LYS 23 2HG LYS 23 -6.256 19.984 -18.613 205 1HD LYS 23 1HD LYS 23 -7.016 19.485 -20.907 206 2HD LYS 23 2HD LYS 23 -7.171 17.779 -20.483 207 1HE LYS 23 1HE LYS 23 -8.582 19.697 -18.691 208 2HE LYS 23 2HE LYS 23 -9.257 19.490 -20.319 209 1HZ LYS 23 1HZ LYS 23 -10.176 17.775 -18.992 210 2HZ LYS 23 2HZ LYS 23 -8.666 17.376 -18.323 211 3HZ LYS 23 3HZ LYS 23 -8.990 17.040 -19.958 212 H HIS 24 H HIS 24 -2.865 16.708 -18.708 213 HA HIS 24 HA HIS 24 -0.782 16.727 -20.826 214 1HB HIS 24 1HB HIS 24 -0.400 16.137 -17.892 215 2HB HIS 24 2HB HIS 24 0.719 16.913 -19.011 216 HD1 HIS 24 HD1 HIS 24 -0.076 19.368 -19.888 217 HD2 HIS 24 HD2 HIS 24 -1.998 17.920 -16.484 218 HE1 HIS 24 HE1 HIS 24 -1.194 21.360 -18.795 219 H CYS 25 H CYS 25 -2.465 14.625 -21.322 220 HA CYS 25 HA CYS 25 -2.028 12.173 -19.972 221 1HB CYS 25 1HB CYS 25 -2.908 11.205 -22.010 222 2HB CYS 25 2HB CYS 25 -3.712 12.754 -21.763 223 HG CYS 25 HG CYS 25 -2.798 12.558 -24.264 224 H THR 26 H THR 26 0.192 14.023 -21.842 225 HA THR 26 HA THR 26 1.868 11.658 -22.503 226 HB THR 26 HB THR 26 3.228 13.645 -23.549 227 HG1 THR 26 HG1 THR 26 2.358 15.508 -23.235 228 1HG2 THR 26 1HG2 THR 26 1.226 11.961 -24.465 229 2HG2 THR 26 2HG2 THR 26 2.245 12.988 -25.473 230 3HG2 THR 26 3HG2 THR 26 0.661 13.560 -24.949 231 H LEU 27 H LEU 27 1.427 13.192 -19.729 232 HA LEU 27 HA LEU 27 4.247 13.875 -19.117 233 1HB LEU 27 1HB LEU 27 1.570 14.449 -18.110 234 2HB LEU 27 2HB LEU 27 2.680 14.019 -16.806 235 HG LEU 27 HG LEU 27 3.135 16.153 -18.912 236 1HD1 LEU 27 1HD1 LEU 27 3.355 17.289 -16.407 237 2HD1 LEU 27 2HD1 LEU 27 2.043 16.133 -16.182 238 3HD1 LEU 27 3HD1 LEU 27 1.922 17.373 -17.432 239 1HD2 LEU 27 1HD2 LEU 27 4.993 14.608 -17.397 240 2HD2 LEU 27 2HD2 LEU 27 4.978 16.235 -16.717 241 3HD2 LEU 27 3HD2 LEU 27 5.329 15.997 -18.430 242 H TYR 28 H TYR 28 1.739 11.568 -18.034 243 HA TYR 28 HA TYR 28 3.875 9.992 -16.655 244 1HB TYR 28 1HB TYR 28 1.836 8.921 -15.567 245 2HB TYR 28 2HB TYR 28 2.056 10.633 -15.215 246 HD1 TYR 28 HD1 TYR 28 0.584 12.332 -16.211 247 HD2 TYR 28 HD2 TYR 28 0.037 8.146 -17.019 248 HE1 TYR 28 HE1 TYR 28 -1.670 12.804 -17.128 249 HE2 TYR 28 HE2 TYR 28 -2.219 8.620 -17.935 250 HH TYR 28 HH TYR 28 -3.465 10.469 -18.889 251 H THR 29 H THR 29 3.376 7.489 -16.802 252 HA THR 29 HA THR 29 2.955 6.879 -19.686 253 HB THR 29 HB THR 29 4.059 5.164 -17.443 254 HG1 THR 29 HG1 THR 29 5.271 7.062 -17.672 255 1HG2 THR 29 1HG2 THR 29 4.986 4.892 -20.236 256 2HG2 THR 29 2HG2 THR 29 3.305 4.438 -19.960 257 3HG2 THR 29 3HG2 THR 29 4.593 3.644 -19.053 258 H ALA 30 H ALA 30 1.761 6.001 -16.450 259 HA ALA 30 HA ALA 30 -0.734 4.999 -17.644 260 1HB ALA 30 1HB ALA 30 0.791 3.073 -15.924 261 2HB ALA 30 2HB ALA 30 -0.401 2.739 -17.180 262 3HB ALA 30 3HB ALA 30 1.234 3.229 -17.624 263 H VAL 31 H VAL 31 -2.258 5.834 -16.275 264 HA VAL 31 HA VAL 31 -1.577 6.450 -13.469 265 HB VAL 31 HB VAL 31 -4.115 6.800 -15.100 266 1HG1 VAL 31 1HG1 VAL 31 -3.777 8.784 -13.097 267 2HG1 VAL 31 2HG1 VAL 31 -3.504 7.223 -12.324 268 3HG1 VAL 31 3HG1 VAL 31 -5.017 7.533 -13.176 269 1HG2 VAL 31 1HG2 VAL 31 -1.639 7.994 -15.501 270 2HG2 VAL 31 2HG2 VAL 31 -2.497 9.167 -14.505 271 3HG2 VAL 31 3HG2 VAL 31 -3.188 8.639 -16.039 272 H SER 32 H SER 32 -1.530 4.484 -12.314 273 HA SER 32 HA SER 32 -3.266 2.261 -12.673 274 1HB SER 32 1HB SER 32 -1.479 1.724 -11.385 275 2HB SER 32 2HB SER 32 -1.341 3.344 -10.721 276 HG SER 32 HG SER 32 -2.227 2.498 -9.017 277 H SER 33 H SER 33 -5.127 1.601 -11.491 278 HA SER 33 HA SER 33 -7.069 3.591 -10.840 279 1HB SER 33 1HB SER 33 -7.410 1.013 -9.510 280 2HB SER 33 2HB SER 33 -8.363 1.729 -10.806 281 HG SER 33 HG SER 33 -7.311 0.537 -12.171 282 H THR 34 H THR 34 -7.962 4.044 -8.661 283 HA THR 34 HA THR 34 -5.944 4.628 -6.688 284 HB THR 34 HB THR 34 -8.865 4.436 -6.043 285 HG1 THR 34 HG1 THR 34 -8.688 6.653 -7.257 286 1HG2 THR 34 1HG2 THR 34 -6.968 6.763 -5.742 287 2HG2 THR 34 2HG2 THR 34 -7.018 5.449 -4.567 288 3HG2 THR 34 3HG2 THR 34 -8.450 6.440 -4.844 289 H TRP 35 H TRP 35 -5.123 3.263 -5.123 290 HA TRP 35 HA TRP 35 -6.839 1.063 -4.089 291 1HB TRP 35 1HB TRP 35 -5.053 -0.572 -4.526 292 2HB TRP 35 2HB TRP 35 -5.566 0.197 -6.022 293 HD1 TRP 35 HD1 TRP 35 -3.828 1.576 -7.346 294 HE1 TRP 35 HE1 TRP 35 -1.317 2.067 -7.040 295 HE3 TRP 35 HE3 TRP 35 -3.154 -0.174 -2.594 296 HZ2 TRP 35 HZ2 TRP 35 0.711 1.756 -5.045 297 HZ3 TRP 35 HZ3 TRP 35 -0.926 -0.067 -1.520 298 HH2 TRP 35 HH2 TRP 35 1.002 0.887 -2.734 299 H HIS 36 H HIS 36 -6.726 1.226 -1.903 300 HA HIS 36 HA HIS 36 -4.587 2.703 -0.568 301 1HB HIS 36 1HB HIS 36 -6.903 2.826 0.179 302 2HB HIS 36 2HB HIS 36 -6.962 1.077 0.388 303 HD1 HIS 36 HD1 HIS 36 -6.071 4.180 2.127 304 HD2 HIS 36 HD2 HIS 36 -5.155 0.135 2.538 305 HE1 HIS 36 HE1 HIS 36 -5.094 3.900 4.446 306 H TRP 37 H TRP 37 -3.395 1.651 1.295 307 HA TRP 37 HA TRP 37 -2.129 -0.833 0.410 308 1HB TRP 37 1HB TRP 37 -1.741 1.318 2.360 309 2HB TRP 37 2HB TRP 37 -1.290 -0.261 3.002 310 HD1 TRP 37 HD1 TRP 37 0.614 2.283 1.888 311 HE1 TRP 37 HE1 TRP 37 2.529 1.634 0.288 312 HE3 TRP 37 HE3 TRP 37 -1.029 -2.310 0.357 313 HZ2 TRP 37 HZ2 TRP 37 3.264 -0.540 -1.416 314 HZ3 TRP 37 HZ3 TRP 37 0.299 -3.644 -1.255 315 HH2 TRP 37 HH2 TRP 37 2.441 -2.766 -2.141 316 H THR 38 H THR 38 -4.793 -1.461 0.773 317 HA THR 38 HA THR 38 -4.669 -3.358 3.051 318 HB THR 38 HB THR 38 -5.654 -1.136 3.796 319 HG1 THR 38 HG1 THR 38 -6.936 -2.232 5.068 320 1HG2 THR 38 1HG2 THR 38 -7.160 -0.147 2.450 321 2HG2 THR 38 2HG2 THR 38 -8.267 -1.486 2.744 322 3HG2 THR 38 3HG2 THR 38 -7.154 -1.548 1.377 323 H GLY 39 H GLY 39 -6.539 -4.936 2.904 324 1HA GLY 39 1HA GLY 39 -7.676 -5.090 0.146 325 2HA GLY 39 2HA GLY 39 -6.903 -6.502 0.868 326 H HIS 40 H HIS 40 -9.203 -7.333 0.390 327 HA HIS 40 HA HIS 40 -11.198 -8.174 1.339 328 1HB HIS 40 1HB HIS 40 -9.491 -8.186 3.303 329 2HB HIS 40 2HB HIS 40 -10.360 -6.758 3.870 330 HD1 HIS 40 HD1 HIS 40 -13.140 -8.024 2.619 331 HD2 HIS 40 HD2 HIS 40 -10.637 -9.678 5.513 332 HE1 HIS 40 HE1 HIS 40 -14.553 -9.660 3.938 333 H ASN 41 H ASN 41 -12.260 -6.347 3.716 334 HA ASN 41 HA ASN 41 -13.200 -4.029 2.100 335 1HB ASN 41 1HB ASN 41 -14.863 -5.657 1.623 336 2HB ASN 41 2HB ASN 41 -14.842 -6.278 3.273 337 1HD2 ASN 41 1HD2 ASN 41 -15.906 -3.514 1.281 338 2HD2 ASN 41 2HD2 ASN 41 -17.027 -2.923 2.409 339 H VAL 42 H VAL 42 -12.169 -2.596 3.565 340 HA VAL 42 HA VAL 42 -12.976 -2.783 6.442 341 HB VAL 42 HB VAL 42 -10.949 -1.607 6.882 342 1HG1 VAL 42 1HG1 VAL 42 -9.239 -2.901 5.633 343 2HG1 VAL 42 2HG1 VAL 42 -10.480 -3.414 4.489 344 3HG1 VAL 42 3HG1 VAL 42 -10.566 -3.929 6.174 345 1HG2 VAL 42 1HG2 VAL 42 -11.028 -0.908 3.934 346 2HG2 VAL 42 2HG2 VAL 42 -9.606 -0.646 4.944 347 3HG2 VAL 42 3HG2 VAL 42 -11.112 0.199 5.304 348 H LYS 43 H LYS 43 -14.124 -1.078 7.370 349 HA LYS 43 HA LYS 43 -15.475 0.801 5.606 350 1HB LYS 43 1HB LYS 43 -15.314 0.378 8.601 351 2HB LYS 43 2HB LYS 43 -16.354 1.598 7.866 352 1HG LYS 43 1HG LYS 43 -17.284 -0.318 6.417 353 2HG LYS 43 2HG LYS 43 -16.495 -1.403 7.563 354 1HD LYS 43 1HD LYS 43 -17.970 -0.920 9.243 355 2HD LYS 43 2HD LYS 43 -18.127 0.768 8.756 356 1HE LYS 43 1HE LYS 43 -19.920 0.334 7.407 357 2HE LYS 43 2HE LYS 43 -19.223 -1.189 6.817 358 1HZ LYS 43 1HZ LYS 43 -19.660 -2.154 9.022 359 2HZ LYS 43 2HZ LYS 43 -21.090 -1.677 8.238 360 3HZ LYS 43 3HZ LYS 43 -20.444 -0.724 9.487 361 H HIS 44 H HIS 44 -12.617 0.901 7.637 362 HA HIS 44 HA HIS 44 -12.360 3.683 8.098 363 1HB HIS 44 1HB HIS 44 -10.979 1.647 8.893 364 2HB HIS 44 2HB HIS 44 -10.083 1.830 7.384 365 HD1 HIS 44 HD1 HIS 44 -10.431 3.253 10.772 366 HD2 HIS 44 HD2 HIS 44 -8.738 4.424 7.147 367 HE1 HIS 44 HE1 HIS 44 -8.896 5.198 11.293 368 H LYS 45 H LYS 45 -11.893 5.379 6.748 369 HA LYS 45 HA LYS 45 -12.083 5.303 3.959 370 1HB LYS 45 1HB LYS 45 -10.585 7.124 5.861 371 2HB LYS 45 2HB LYS 45 -10.813 7.504 4.152 372 1HG LYS 45 1HG LYS 45 -13.170 7.623 4.376 373 2HG LYS 45 2HG LYS 45 -13.143 6.805 5.939 374 1HD LYS 45 1HD LYS 45 -12.239 8.700 7.042 375 2HD LYS 45 2HD LYS 45 -11.775 9.463 5.520 376 1HE LYS 45 1HE LYS 45 -13.761 10.608 6.230 377 2HE LYS 45 2HE LYS 45 -14.301 9.485 4.964 378 1HZ LYS 45 1HZ LYS 45 -15.433 9.507 7.328 379 2HZ LYS 45 2HZ LYS 45 -14.130 8.487 7.712 380 3HZ LYS 45 3HZ LYS 45 -15.210 8.060 6.471 381 H SER 46 H SER 46 -10.514 5.243 2.263 382 HA SER 46 HA SER 46 -7.668 4.893 2.795 383 1HB SER 46 1HB SER 46 -8.334 2.454 1.535 384 2HB SER 46 2HB SER 46 -7.755 2.668 3.184 385 HG SER 46 HG SER 46 -9.800 1.592 3.043 386 H ALA 47 H ALA 47 -6.618 5.571 0.950 387 HA ALA 47 HA ALA 47 -7.636 4.929 -1.721 388 1HB ALA 47 1HB ALA 47 -7.505 7.773 -1.695 389 2HB ALA 47 2HB ALA 47 -8.931 6.763 -1.933 390 3HB ALA 47 3HB ALA 47 -8.482 7.285 -0.310 391 H ILE 48 H ILE 48 -5.630 4.325 -2.505 392 HA ILE 48 HA ILE 48 -3.496 6.418 -2.526 393 HB ILE 48 HB ILE 48 -3.291 3.540 -1.596 394 1HG1 ILE 48 1HG1 ILE 48 -2.539 6.149 -0.245 395 2HG1 ILE 48 2HG1 ILE 48 -4.051 5.285 0.040 396 1HG2 ILE 48 1HG2 ILE 48 -1.080 3.522 -2.059 397 2HG2 ILE 48 2HG2 ILE 48 -0.864 5.147 -1.408 398 3HG2 ILE 48 3HG2 ILE 48 -1.381 4.929 -3.080 399 1HD1 ILE 48 1HD1 ILE 48 -1.318 4.660 0.977 400 2HD1 ILE 48 2HD1 ILE 48 -2.230 3.275 0.377 401 3HD1 ILE 48 3HD1 ILE 48 -2.876 4.252 1.696 402 H VAL 49 H VAL 49 -2.542 6.538 -4.553 403 HA VAL 49 HA VAL 49 -2.991 4.224 -6.407 404 HB VAL 49 HB VAL 49 -4.256 6.589 -6.567 405 1HG1 VAL 49 1HG1 VAL 49 -1.698 6.992 -8.148 406 2HG1 VAL 49 2HG1 VAL 49 -2.175 7.904 -6.714 407 3HG1 VAL 49 3HG1 VAL 49 -3.113 8.044 -8.202 408 1HG2 VAL 49 1HG2 VAL 49 -3.585 4.449 -8.358 409 2HG2 VAL 49 2HG2 VAL 49 -3.596 5.963 -9.261 410 3HG2 VAL 49 3HG2 VAL 49 -5.026 5.466 -8.356 411 H THR 50 H THR 50 -1.429 4.658 -8.440 412 HA THR 50 HA THR 50 1.232 5.646 -7.528 413 HB THR 50 HB THR 50 0.485 2.852 -8.434 414 HG1 THR 50 HG1 THR 50 2.188 3.254 -6.328 415 1HG2 THR 50 1HG2 THR 50 3.070 4.324 -8.609 416 2HG2 THR 50 2HG2 THR 50 2.439 3.033 -9.630 417 3HG2 THR 50 3HG2 THR 50 3.132 2.651 -8.055 418 H LEU 51 H LEU 51 2.702 5.977 -9.375 419 HA LEU 51 HA LEU 51 1.350 5.940 -12.047 420 1HB LEU 51 1HB LEU 51 2.756 8.182 -10.582 421 2HB LEU 51 2HB LEU 51 2.503 8.226 -12.326 422 HG LEU 51 HG LEU 51 0.200 7.660 -10.473 423 1HD1 LEU 51 1HD1 LEU 51 0.662 10.447 -11.425 424 2HD1 LEU 51 2HD1 LEU 51 1.630 9.894 -10.058 425 3HD1 LEU 51 3HD1 LEU 51 -0.130 9.878 -9.955 426 1HD2 LEU 51 1HD2 LEU 51 0.252 9.158 -13.097 427 2HD2 LEU 51 2HD2 LEU 51 -1.115 8.357 -12.324 428 3HD2 LEU 51 3HD2 LEU 51 0.178 7.397 -13.043 429 H THR 52 H THR 52 2.670 5.081 -13.604 430 HA THR 52 HA THR 52 5.490 4.469 -12.880 431 HB THR 52 HB THR 52 4.879 3.352 -15.358 432 HG1 THR 52 HG1 THR 52 2.780 3.652 -15.409 433 1HG2 THR 52 1HG2 THR 52 4.478 1.271 -13.969 434 2HG2 THR 52 2HG2 THR 52 4.579 2.298 -12.538 435 3HG2 THR 52 3HG2 THR 52 5.974 2.130 -13.605 436 H TYR 53 H TYR 53 7.160 5.591 -13.792 437 HA TYR 53 HA TYR 53 6.545 7.378 -16.124 438 1HB TYR 53 1HB TYR 53 8.225 7.638 -13.636 439 2HB TYR 53 2HB TYR 53 8.603 8.613 -15.056 440 HD1 TYR 53 HD1 TYR 53 6.345 8.144 -12.251 441 HD2 TYR 53 HD2 TYR 53 6.833 10.122 -16.034 442 HE1 TYR 53 HE1 TYR 53 4.514 9.715 -11.668 443 HE2 TYR 53 HE2 TYR 53 5.003 11.691 -15.451 444 HH TYR 53 HH TYR 53 3.469 11.621 -12.252 445 H ASP 54 H ASP 54 8.215 7.534 -17.750 446 HA ASP 54 HA ASP 54 9.914 5.103 -17.933 447 1HB ASP 54 1HB ASP 54 9.039 7.289 -19.839 448 2HB ASP 54 2HB ASP 54 10.154 6.005 -20.306 449 H SER 55 H SER 55 10.180 8.495 -17.271 450 HA SER 55 HA SER 55 13.147 8.223 -17.163 451 1HB SER 55 1HB SER 55 13.329 10.372 -18.417 452 2HB SER 55 2HB SER 55 12.572 9.107 -19.381 453 HG SER 55 HG SER 55 10.584 10.163 -18.185 454 H GLU 56 H GLU 56 14.023 9.405 -15.447 455 HA GLU 56 HA GLU 56 12.346 10.338 -13.340 456 1HB GLU 56 1HB GLU 56 15.197 10.244 -14.067 457 2HB GLU 56 2HB GLU 56 14.786 11.574 -12.982 458 1HG GLU 56 1HG GLU 56 13.502 9.818 -11.602 459 2HG GLU 56 2HG GLU 56 14.381 8.613 -12.545 460 H TRP 57 H TRP 57 14.021 12.085 -15.951 461 HA TRP 57 HA TRP 57 13.588 14.747 -15.139 462 1HB TRP 57 1HB TRP 57 14.827 13.680 -17.159 463 2HB TRP 57 2HB TRP 57 13.268 13.775 -17.979 464 HD1 TRP 57 HD1 TRP 57 12.812 15.954 -19.188 465 HE1 TRP 57 HE1 TRP 57 13.717 18.365 -19.059 466 HE3 TRP 57 HE3 TRP 57 15.970 15.499 -15.200 467 HZ2 TRP 57 HZ2 TRP 57 15.539 19.898 -17.473 468 HZ3 TRP 57 HZ3 TRP 57 17.277 17.447 -14.401 469 HH2 TRP 57 HH2 TRP 57 17.065 19.645 -15.532 470 H GLN 58 H GLN 58 11.446 12.713 -17.172 471 HA GLN 58 HA GLN 58 9.345 14.574 -17.516 472 1HB GLN 58 1HB GLN 58 9.727 12.313 -18.604 473 2HB GLN 58 2HB GLN 58 9.083 11.578 -17.136 474 1HG GLN 58 1HG GLN 58 6.956 12.704 -17.431 475 2HG GLN 58 2HG GLN 58 7.591 13.633 -18.791 476 1HE2 GLN 58 1HE2 GLN 58 5.529 12.408 -19.746 477 2HE2 GLN 58 2HE2 GLN 58 5.858 10.919 -20.490 478 H ARG 59 H ARG 59 9.898 12.260 -14.849 479 HA ARG 59 HA ARG 59 7.450 12.658 -13.451 480 1HB ARG 59 1HB ARG 59 9.246 10.925 -13.071 481 2HB ARG 59 2HB ARG 59 10.222 12.182 -12.312 482 1HG ARG 59 1HG ARG 59 7.500 12.110 -11.253 483 2HG ARG 59 2HG ARG 59 8.349 10.581 -11.022 484 1HD ARG 59 1HD ARG 59 9.433 13.310 -10.231 485 2HD ARG 59 2HD ARG 59 8.772 12.099 -9.112 486 HE ARG 59 HE ARG 59 11.320 11.858 -10.606 487 1HH1 ARG 59 1HH1 ARG 59 8.753 10.125 -9.148 488 2HH1 ARG 59 2HH1 ARG 59 9.782 8.965 -8.376 489 1HH2 ARG 59 1HH2 ARG 59 12.722 10.512 -9.376 490 2HH2 ARG 59 2HH2 ARG 59 12.029 9.184 -8.503 491 H ASP 60 H ASP 60 10.507 14.476 -13.351 492 HA ASP 60 HA ASP 60 9.898 16.202 -11.169 493 1HB ASP 60 1HB ASP 60 11.543 16.637 -13.684 494 2HB ASP 60 2HB ASP 60 11.680 17.588 -12.205 495 H GLN 61 H GLN 61 9.243 16.543 -14.664 496 HA GLN 61 HA GLN 61 8.157 19.197 -14.537 497 1HB GLN 61 1HB GLN 61 7.766 16.847 -16.415 498 2HB GLN 61 2HB GLN 61 7.172 18.472 -16.755 499 1HG GLN 61 1HG GLN 61 9.392 19.376 -16.775 500 2HG GLN 61 2HG GLN 61 10.072 17.887 -16.118 501 1HE2 GLN 61 1HE2 GLN 61 10.532 16.170 -17.590 502 2HE2 GLN 61 2HE2 GLN 61 10.281 16.291 -19.265 503 H PHE 62 H PHE 62 6.651 15.976 -14.283 504 HA PHE 62 HA PHE 62 3.926 16.717 -14.290 505 1HB PHE 62 1HB PHE 62 4.678 14.419 -14.379 506 2HB PHE 62 2HB PHE 62 5.483 14.570 -12.818 507 HD1 PHE 62 HD1 PHE 62 2.190 14.443 -14.517 508 HD2 PHE 62 HD2 PHE 62 4.260 14.420 -10.751 509 HE1 PHE 62 HE1 PHE 62 0.098 13.762 -13.371 510 HE2 PHE 62 HE2 PHE 62 2.167 13.739 -9.605 511 HZ PHE 62 HZ PHE 62 0.086 13.410 -10.915 512 H LEU 63 H LEU 63 6.256 16.624 -11.589 513 HA LEU 63 HA LEU 63 4.466 17.281 -9.474 514 1HB LEU 63 1HB LEU 63 7.382 18.015 -9.917 515 2HB LEU 63 2HB LEU 63 6.559 18.004 -8.356 516 HG LEU 63 HG LEU 63 6.493 15.528 -10.048 517 1HD1 LEU 63 1HD1 LEU 63 8.684 15.713 -8.071 518 2HD1 LEU 63 2HD1 LEU 63 8.911 16.687 -9.525 519 3HD1 LEU 63 3HD1 LEU 63 8.661 14.946 -9.659 520 1HD2 LEU 63 1HD2 LEU 63 5.273 16.023 -7.776 521 2HD2 LEU 63 2HD2 LEU 63 6.862 15.736 -7.068 522 3HD2 LEU 63 3HD2 LEU 63 6.070 14.466 -8.001 523 H SER 64 H SER 64 5.832 19.242 -12.025 524 HA SER 64 HA SER 64 4.972 21.759 -10.677 525 1HB SER 64 1HB SER 64 6.175 22.663 -12.811 526 2HB SER 64 2HB SER 64 7.155 21.915 -11.554 527 HG SER 64 HG SER 64 7.575 21.143 -13.717 528 H GLN 65 H GLN 65 3.782 19.453 -12.857 529 HA GLN 65 HA GLN 65 2.152 21.405 -14.400 530 1HB GLN 65 1HB GLN 65 2.686 18.425 -14.542 531 2HB GLN 65 2HB GLN 65 1.515 19.231 -15.588 532 1HG GLN 65 1HG GLN 65 3.923 20.763 -15.639 533 2HG GLN 65 2HG GLN 65 4.354 19.074 -15.908 534 1HE2 GLN 65 1HE2 GLN 65 4.156 18.395 -18.046 535 2HE2 GLN 65 2HE2 GLN 65 3.152 19.117 -19.208 536 H VAL 66 H VAL 66 1.904 18.947 -11.898 537 HA VAL 66 HA VAL 66 -1.063 19.353 -11.787 538 HB VAL 66 HB VAL 66 -1.054 17.179 -10.638 539 1HG1 VAL 66 1HG1 VAL 66 -0.760 17.468 -13.232 540 2HG1 VAL 66 2HG1 VAL 66 -0.574 15.869 -12.513 541 3HG1 VAL 66 3HG1 VAL 66 0.852 16.818 -12.933 542 1HG2 VAL 66 1HG2 VAL 66 1.761 17.864 -10.304 543 2HG2 VAL 66 2HG2 VAL 66 1.559 16.235 -10.949 544 3HG2 VAL 66 3HG2 VAL 66 0.789 16.682 -9.427 545 H LYS 67 H LYS 67 -0.781 21.385 -10.583 546 HA LYS 67 HA LYS 67 0.676 22.065 -8.393 547 1HB LYS 67 1HB LYS 67 -1.249 23.373 -7.691 548 2HB LYS 67 2HB LYS 67 -1.255 23.288 -9.452 549 1HG LYS 67 1HG LYS 67 -2.725 21.112 -8.977 550 2HG LYS 67 2HG LYS 67 -3.086 21.985 -7.486 551 1HD LYS 67 1HD LYS 67 -3.198 23.778 -9.757 552 2HD LYS 67 2HD LYS 67 -4.266 22.396 -10.008 553 1HE LYS 67 1HE LYS 67 -5.548 24.074 -8.821 554 2HE LYS 67 2HE LYS 67 -5.146 22.813 -7.638 555 1HZ LYS 67 1HZ LYS 67 -3.388 24.063 -6.786 556 2HZ LYS 67 2HZ LYS 67 -4.621 25.213 -7.000 557 3HZ LYS 67 3HZ LYS 67 -3.347 25.110 -8.120 558 H ILE 68 H ILE 68 1.364 20.547 -6.880 559 HA ILE 68 HA ILE 68 -0.522 18.596 -5.736 560 HB ILE 68 HB ILE 68 2.392 19.254 -5.182 561 1HG1 ILE 68 1HG1 ILE 68 1.207 17.032 -6.871 562 2HG1 ILE 68 2HG1 ILE 68 1.826 18.543 -7.538 563 1HG2 ILE 68 1HG2 ILE 68 1.049 16.616 -4.652 564 2HG2 ILE 68 2HG2 ILE 68 0.937 17.916 -3.464 565 3HG2 ILE 68 3HG2 ILE 68 2.515 17.281 -3.930 566 1HD1 ILE 68 1HD1 ILE 68 3.863 17.695 -5.844 567 2HD1 ILE 68 2HD1 ILE 68 3.847 17.540 -7.601 568 3HD1 ILE 68 3HD1 ILE 68 3.295 16.203 -6.594 569 HA PRO 69 HA PRO 69 -1.510 21.609 -2.572 570 1HB PRO 69 1HB PRO 69 -3.205 19.986 -1.160 571 2HB PRO 69 2HB PRO 69 -3.697 20.857 -2.628 572 1HG PRO 69 1HG PRO 69 -2.925 18.007 -2.286 573 2HG PRO 69 2HG PRO 69 -4.182 18.724 -3.305 574 1HD PRO 69 1HD PRO 69 -1.771 17.894 -4.257 575 2HD PRO 69 2HD PRO 69 -2.728 19.192 -5.001 576 H LYS 70 H LYS 70 -1.977 20.628 0.071 577 HA LYS 70 HA LYS 70 0.761 19.624 0.738 578 1HB LYS 70 1HB LYS 70 -1.343 21.100 2.353 579 2HB LYS 70 2HB LYS 70 0.276 20.693 2.924 580 1HG LYS 70 1HG LYS 70 -0.360 22.448 0.532 581 2HG LYS 70 2HG LYS 70 0.191 23.022 2.106 582 1HD LYS 70 1HD LYS 70 2.284 21.750 1.851 583 2HD LYS 70 2HD LYS 70 1.735 21.151 0.285 584 1HE LYS 70 1HE LYS 70 1.494 23.642 -0.382 585 2HE LYS 70 2HE LYS 70 2.497 23.977 1.044 586 1HZ LYS 70 1HZ LYS 70 4.233 23.435 -0.227 587 2HZ LYS 70 2HZ LYS 70 3.248 22.805 -1.459 588 3HZ LYS 70 3HZ LYS 70 3.696 21.829 -0.143 589 H THR 71 H THR 71 -2.545 18.689 0.696 590 HA THR 71 HA THR 71 -2.352 16.795 2.940 591 HB THR 71 HB THR 71 -4.658 16.340 2.356 592 HG1 THR 71 HG1 THR 71 -3.767 17.222 -0.107 593 1HG2 THR 71 1HG2 THR 71 -5.186 18.344 3.220 594 2HG2 THR 71 2HG2 THR 71 -5.019 19.068 1.621 595 3HG2 THR 71 3HG2 THR 71 -3.628 18.988 2.704 596 H ILE 72 H ILE 72 -1.786 16.798 -0.494 597 HA ILE 72 HA ILE 72 -1.851 13.834 -0.671 598 HB ILE 72 HB ILE 72 -1.394 16.111 -2.621 599 1HG1 ILE 72 1HG1 ILE 72 -3.713 15.793 -1.845 600 2HG1 ILE 72 2HG1 ILE 72 -3.558 15.322 -3.539 601 1HG2 ILE 72 1HG2 ILE 72 -0.582 13.369 -2.831 602 2HG2 ILE 72 2HG2 ILE 72 -0.465 14.641 -4.048 603 3HG2 ILE 72 3HG2 ILE 72 -1.917 13.644 -3.951 604 1HD1 ILE 72 1HD1 ILE 72 -4.467 13.343 -2.948 605 2HD1 ILE 72 2HD1 ILE 72 -4.284 13.695 -1.230 606 3HD1 ILE 72 3HD1 ILE 72 -2.943 12.993 -2.134 607 H THR 73 H THR 73 0.003 12.915 0.214 608 HA THR 73 HA THR 73 2.614 14.287 -0.139 609 HB THR 73 HB THR 73 1.779 11.806 1.398 610 HG1 THR 73 HG1 THR 73 1.268 13.121 2.960 611 1HG2 THR 73 1HG2 THR 73 4.335 13.317 1.084 612 2HG2 THR 73 2HG2 THR 73 4.073 11.584 1.281 613 3HG2 THR 73 3HG2 THR 73 3.954 12.659 2.675 614 H VAL 74 H VAL 74 4.410 13.153 -1.111 615 HA VAL 74 HA VAL 74 3.767 10.647 -2.594 616 HB VAL 74 HB VAL 74 4.501 13.357 -3.676 617 1HG1 VAL 74 1HG1 VAL 74 6.200 11.733 -4.513 618 2HG1 VAL 74 2HG1 VAL 74 5.153 12.335 -5.797 619 3HG1 VAL 74 3HG1 VAL 74 4.893 10.724 -5.130 620 1HG2 VAL 74 1HG2 VAL 74 2.682 12.899 -5.208 621 2HG2 VAL 74 2HG2 VAL 74 2.124 12.526 -3.577 622 3HG2 VAL 74 3HG2 VAL 74 2.592 11.222 -4.670 623 H SER 75 H SER 75 5.681 9.500 -3.298 624 HA SER 75 HA SER 75 8.276 10.480 -2.175 625 1HB SER 75 1HB SER 75 6.835 8.823 -0.741 626 2HB SER 75 2HB SER 75 7.361 7.619 -1.914 627 HG SER 75 HG SER 75 8.679 8.261 0.140 628 H THR 76 H THR 76 10.021 8.691 -2.938 629 HA THR 76 HA THR 76 9.587 8.363 -5.878 630 HB THR 76 HB THR 76 12.197 8.098 -5.640 631 HG1 THR 76 HG1 THR 76 11.945 7.982 -3.297 632 1HG2 THR 76 1HG2 THR 76 11.646 10.028 -6.747 633 2HG2 THR 76 2HG2 THR 76 12.173 10.760 -5.231 634 3HG2 THR 76 3HG2 THR 76 10.455 10.504 -5.537 635 H GLY 77 H GLY 77 10.259 6.362 -6.873 636 1HA GLY 77 1HA GLY 77 11.111 4.107 -5.221 637 2HA GLY 77 2HA GLY 77 9.445 3.971 -5.783 638 H PHE 78 H PHE 78 11.016 2.027 -6.715 639 HA PHE 78 HA PHE 78 11.320 2.727 -9.590 640 1HB PHE 78 1HB PHE 78 13.463 1.506 -7.822 641 2HB PHE 78 2HB PHE 78 13.586 1.682 -9.571 642 HD1 PHE 78 HD1 PHE 78 14.215 3.236 -6.436 643 HD2 PHE 78 HD2 PHE 78 13.185 4.097 -10.518 644 HE1 PHE 78 HE1 PHE 78 15.023 5.562 -6.148 645 HE2 PHE 78 HE2 PHE 78 13.992 6.425 -10.230 646 HZ PHE 78 HZ PHE 78 14.912 7.158 -8.044 647 H MET 79 H MET 79 10.707 1.011 -10.902 648 HA MET 79 HA MET 79 10.132 -1.602 -9.542 649 1HB MET 79 1HB MET 79 8.828 -0.071 -11.806 650 2HB MET 79 2HB MET 79 8.455 -1.765 -11.482 651 1HG MET 79 1HG MET 79 8.201 -0.744 -8.982 652 2HG MET 79 2HG MET 79 7.727 0.662 -9.936 653 1HE MET 79 1HE MET 79 4.224 -0.343 -9.163 654 2HE MET 79 2HE MET 79 5.543 -0.558 -8.014 655 3HE MET 79 3HE MET 79 5.530 0.837 -9.103 656 H SER 80 H SER 80 10.424 -3.531 -10.991 657 HA SER 80 HA SER 80 12.576 -3.051 -13.026 658 1HB SER 80 1HB SER 80 13.488 -4.194 -11.141 659 2HB SER 80 2HB SER 80 12.074 -5.235 -10.996 660 HG SER 80 HG SER 80 13.562 -5.232 -13.376 661 H ILE 81 H ILE 81 11.298 -3.058 -14.902 662 HA ILE 81 HA ILE 81 10.122 -5.675 -15.650 663 HB ILE 81 HB ILE 81 8.051 -4.274 -16.422 664 1HG1 ILE 81 1HG1 ILE 81 8.718 -2.538 -14.080 665 2HG1 ILE 81 2HG1 ILE 81 9.480 -2.156 -15.625 666 1HG2 ILE 81 1HG2 ILE 81 6.955 -4.719 -14.322 667 2HG2 ILE 81 2HG2 ILE 81 8.486 -4.659 -13.449 668 3HG2 ILE 81 3HG2 ILE 81 8.156 -5.986 -14.563 669 1HD1 ILE 81 1HD1 ILE 81 6.629 -1.964 -14.823 670 2HD1 ILE 81 2HD1 ILE 81 6.933 -2.566 -16.452 671 3HD1 ILE 81 3HD1 ILE 81 7.544 -0.984 -15.968 672 1H MET 1 1H MET 1 16.484 -0.928 0.147 673 2H MET 1 2H MET 1 16.034 -2.566 0.117 674 3H MET 1 3H MET 1 15.699 -1.616 1.485 675 HA MET 1 HA MET 1 14.141 -0.270 0.212 676 1HB MET 1 1HB MET 1 15.462 -1.907 -1.903 677 2HB MET 1 2HB MET 1 13.767 -1.491 -2.157 678 1HG MET 1 1HG MET 1 14.223 0.718 -2.470 679 2HG MET 1 2HG MET 1 15.460 0.739 -1.212 680 1HE MET 1 1HE MET 1 15.856 1.185 -5.410 681 2HE MET 1 2HE MET 1 15.076 -0.390 -5.288 682 3HE MET 1 3HE MET 1 14.422 0.995 -4.404 683 H THR 2 H THR 2 11.897 -1.094 -0.296 684 HA THR 2 HA THR 2 11.414 -3.651 1.146 685 HB THR 2 HB THR 2 9.076 -2.759 1.171 686 HG1 THR 2 HG1 THR 2 9.098 -1.604 -0.737 687 1HG2 THR 2 1HG2 THR 2 10.616 -2.163 2.979 688 2HG2 THR 2 2HG2 THR 2 9.570 -0.794 2.603 689 3HG2 THR 2 3HG2 THR 2 11.237 -0.814 2.029 690 HA PRO 3 HA PRO 3 11.158 -5.426 -3.003 691 1HB PRO 3 1HB PRO 3 10.381 -7.902 -2.145 692 2HB PRO 3 2HB PRO 3 12.075 -7.370 -2.146 693 1HG PRO 3 1HG PRO 3 10.140 -7.522 0.106 694 2HG PRO 3 2HG PRO 3 11.875 -7.878 0.078 695 1HD PRO 3 1HD PRO 3 10.817 -5.565 1.070 696 2HD PRO 3 2HD PRO 3 12.460 -5.696 0.406 697 H ILE 4 H ILE 4 9.299 -6.137 -4.259 698 HA ILE 4 HA ILE 4 6.656 -6.053 -2.875 699 HB ILE 4 HB ILE 4 5.886 -4.429 -4.611 700 1HG1 ILE 4 1HG1 ILE 4 8.749 -3.888 -5.309 701 2HG1 ILE 4 2HG1 ILE 4 7.931 -5.228 -6.115 702 1HG2 ILE 4 1HG2 ILE 4 6.985 -3.824 -2.321 703 2HG2 ILE 4 2HG2 ILE 4 6.762 -2.546 -3.516 704 3HG2 ILE 4 3HG2 ILE 4 8.348 -3.288 -3.304 705 1HD1 ILE 4 1HD1 ILE 4 6.379 -2.711 -5.962 706 2HD1 ILE 4 2HD1 ILE 4 6.557 -3.845 -7.301 707 3HD1 ILE 4 3HD1 ILE 4 7.814 -2.649 -6.986 708 H VAL 5 H VAL 5 4.899 -6.506 -4.708 709 HA VAL 5 HA VAL 5 5.940 -8.412 -6.751 710 HB VAL 5 HB VAL 5 4.074 -8.979 -4.437 711 1HG1 VAL 5 1HG1 VAL 5 3.300 -9.796 -6.817 712 2HG1 VAL 5 2HG1 VAL 5 3.275 -10.921 -5.462 713 3HG1 VAL 5 3HG1 VAL 5 4.599 -10.972 -6.624 714 1HG2 VAL 5 1HG2 VAL 5 6.501 -10.462 -5.490 715 2HG2 VAL 5 2HG2 VAL 5 5.643 -10.775 -3.982 716 3HG2 VAL 5 3HG2 VAL 5 6.558 -9.282 -4.183 717 H HIS 6 H HIS 6 4.727 -8.307 -8.619 718 HA HIS 6 HA HIS 6 2.261 -6.612 -8.567 719 1HB HIS 6 1HB HIS 6 4.600 -6.906 -10.251 720 2HB HIS 6 2HB HIS 6 3.134 -7.149 -11.202 721 HD1 HIS 6 HD1 HIS 6 3.073 -4.889 -12.379 722 HD2 HIS 6 HD2 HIS 6 3.338 -4.537 -8.233 723 HE1 HIS 6 HE1 HIS 6 2.705 -2.441 -11.842 724 H LEU 7 H LEU 7 0.358 -7.750 -8.690 725 HA LEU 7 HA LEU 7 0.410 -10.450 -10.000 726 1HB LEU 7 1HB LEU 7 -0.962 -9.242 -7.626 727 2HB LEU 7 2HB LEU 7 -1.783 -10.544 -8.489 728 HG LEU 7 HG LEU 7 0.822 -11.473 -8.277 729 1HD1 LEU 7 1HD1 LEU 7 1.420 -11.188 -5.912 730 2HD1 LEU 7 2HD1 LEU 7 0.009 -10.157 -5.665 731 3HD1 LEU 7 3HD1 LEU 7 1.326 -9.616 -6.708 732 1HD2 LEU 7 1HD2 LEU 7 -1.459 -12.597 -7.892 733 2HD2 LEU 7 2HD2 LEU 7 -1.339 -12.015 -6.231 734 3HD2 LEU 7 3HD2 LEU 7 -0.134 -13.136 -6.862 735 H LYS 8 H LYS 8 -0.695 -10.537 -11.911 736 HA LYS 8 HA LYS 8 -3.111 -8.812 -12.258 737 1HB LYS 8 1HB LYS 8 -1.220 -7.621 -13.231 738 2HB LYS 8 2HB LYS 8 -0.712 -9.068 -14.101 739 1HG LYS 8 1HG LYS 8 -2.864 -9.045 -15.348 740 2HG LYS 8 2HG LYS 8 -3.300 -7.547 -14.523 741 1HD LYS 8 1HD LYS 8 -1.544 -6.335 -15.565 742 2HD LYS 8 2HD LYS 8 -0.731 -7.811 -16.088 743 1HE LYS 8 1HE LYS 8 -3.276 -8.026 -17.220 744 2HE LYS 8 2HE LYS 8 -2.847 -6.316 -17.430 745 1HZ LYS 8 1HZ LYS 8 -0.796 -6.898 -18.412 746 2HZ LYS 8 2HZ LYS 8 -1.961 -7.864 -19.183 747 3HZ LYS 8 3HZ LYS 8 -0.957 -8.530 -17.986 748 H GLY 9 H GLY 9 -4.407 -9.568 -14.189 749 1HA GLY 9 1HA GLY 9 -4.307 -11.616 -15.859 750 2HA GLY 9 2HA GLY 9 -4.295 -12.534 -14.352 751 H ASP 10 H ASP 10 -6.338 -13.492 -14.657 752 HA ASP 10 HA ASP 10 -8.714 -12.099 -15.447 753 1HB ASP 10 1HB ASP 10 -7.850 -14.699 -14.744 754 2HB ASP 10 2HB ASP 10 -9.193 -14.324 -13.663 755 H ALA 11 H ALA 11 -9.791 -10.559 -14.286 756 HA ALA 11 HA ALA 11 -9.193 -9.641 -11.710 757 1HB ALA 11 1HB ALA 11 -11.390 -8.574 -11.852 758 2HB ALA 11 2HB ALA 11 -10.633 -8.568 -13.445 759 3HB ALA 11 3HB ALA 11 -11.900 -9.737 -13.075 760 H ASN 12 H ASN 12 -11.383 -12.285 -12.646 761 HA ASN 12 HA ASN 12 -12.466 -12.666 -9.972 762 1HB ASN 12 1HB ASN 12 -12.569 -13.921 -12.662 763 2HB ASN 12 2HB ASN 12 -12.938 -14.985 -11.302 764 1HD2 ASN 12 1HD2 ASN 12 -15.220 -15.093 -11.407 765 2HD2 ASN 12 2HD2 ASN 12 -16.234 -13.733 -11.348 766 H THR 13 H THR 13 -9.959 -14.326 -11.908 767 HA THR 13 HA THR 13 -9.338 -16.415 -10.096 768 HB THR 13 HB THR 13 -7.651 -14.818 -12.048 769 HG1 THR 13 HG1 THR 13 -8.053 -16.832 -13.248 770 1HG2 THR 13 1HG2 THR 13 -5.996 -16.516 -11.930 771 2HG2 THR 13 2HG2 THR 13 -7.048 -17.584 -11.002 772 3HG2 THR 13 3HG2 THR 13 -6.380 -16.136 -10.251 773 H LEU 14 H LEU 14 -8.458 -13.004 -10.033 774 HA LEU 14 HA LEU 14 -6.388 -13.343 -7.984 775 1HB LEU 14 1HB LEU 14 -7.814 -11.011 -9.285 776 2HB LEU 14 2HB LEU 14 -6.588 -10.789 -8.037 777 HG LEU 14 HG LEU 14 -5.941 -12.559 -10.361 778 1HD1 LEU 14 1HD1 LEU 14 -5.803 -9.529 -10.433 779 2HD1 LEU 14 2HD1 LEU 14 -6.944 -10.510 -11.353 780 3HD1 LEU 14 3HD1 LEU 14 -5.215 -10.625 -11.682 781 1HD2 LEU 14 1HD2 LEU 14 -3.771 -11.013 -9.848 782 2HD2 LEU 14 2HD2 LEU 14 -4.106 -12.513 -8.983 783 3HD2 LEU 14 3HD2 LEU 14 -4.556 -10.964 -8.270 784 H LYS 15 H LYS 15 -9.805 -12.413 -8.113 785 HA LYS 15 HA LYS 15 -10.111 -11.412 -5.467 786 1HB LYS 15 1HB LYS 15 -11.688 -11.510 -7.544 787 2HB LYS 15 2HB LYS 15 -12.162 -13.086 -6.912 788 1HG LYS 15 1HG LYS 15 -13.146 -12.188 -5.015 789 2HG LYS 15 2HG LYS 15 -12.121 -10.751 -5.038 790 1HD LYS 15 1HD LYS 15 -13.643 -10.797 -7.461 791 2HD LYS 15 2HD LYS 15 -14.750 -11.049 -6.111 792 1HE LYS 15 1HE LYS 15 -13.573 -9.056 -4.978 793 2HE LYS 15 2HE LYS 15 -12.880 -8.715 -6.577 794 1HZ LYS 15 1HZ LYS 15 -15.734 -9.334 -6.432 795 2HZ LYS 15 2HZ LYS 15 -14.905 -8.285 -7.481 796 3HZ LYS 15 3HZ LYS 15 -15.245 -7.803 -5.887 797 H CYS 16 H CYS 16 -10.223 -14.737 -6.732 798 HA CYS 16 HA CYS 16 -11.030 -15.981 -4.253 799 1HB CYS 16 1HB CYS 16 -11.225 -16.883 -6.599 800 2HB CYS 16 2HB CYS 16 -9.476 -17.120 -6.597 801 HG CYS 16 HG CYS 16 -10.818 -18.463 -4.208 802 H LEU 17 H LEU 17 -7.862 -15.305 -5.743 803 HA LEU 17 HA LEU 17 -6.216 -16.800 -3.977 804 1HB LEU 17 1HB LEU 17 -5.878 -14.227 -5.535 805 2HB LEU 17 2HB LEU 17 -4.539 -14.970 -4.658 806 HG LEU 17 HG LEU 17 -6.181 -16.617 -6.566 807 1HD1 LEU 17 1HD1 LEU 17 -5.452 -15.455 -8.347 808 2HD1 LEU 17 2HD1 LEU 17 -3.789 -15.752 -7.844 809 3HD1 LEU 17 3HD1 LEU 17 -4.635 -14.310 -7.282 810 1HD2 LEU 17 1HD2 LEU 17 -3.508 -17.314 -6.724 811 2HD2 LEU 17 2HD2 LEU 17 -4.704 -18.108 -5.699 812 3HD2 LEU 17 3HD2 LEU 17 -3.682 -16.833 -5.035 813 H ARG 18 H ARG 18 -7.204 -13.369 -3.764 814 HA ARG 18 HA ARG 18 -5.957 -12.584 -1.404 815 1HB ARG 18 1HB ARG 18 -7.506 -11.326 -3.015 816 2HB ARG 18 2HB ARG 18 -8.845 -11.986 -2.075 817 1HG ARG 18 1HG ARG 18 -7.704 -11.023 -0.009 818 2HG ARG 18 2HG ARG 18 -6.640 -10.152 -1.115 819 1HD ARG 18 1HD ARG 18 -9.582 -9.958 -1.619 820 2HD ARG 18 2HD ARG 18 -8.917 -9.047 -0.248 821 HE ARG 18 HE ARG 18 -7.260 -8.067 -1.880 822 1HH1 ARG 18 1HH2 ARG 18 -10.391 -7.729 -2.481 823 2HH1 ARG 18 2HH2 ARG 18 -10.315 -7.698 -4.211 824 1HH2 ARG 18 1HH1 ARG 18 -7.036 -8.822 -4.349 825 2HH2 ARG 18 2HH1 ARG 18 -8.415 -8.317 -5.268 826 H TYR 19 H TYR 19 -8.697 -14.761 -1.773 827 HA TYR 19 HA TYR 19 -9.647 -14.736 0.931 828 1HB TYR 19 1HB TYR 19 -10.878 -15.642 -0.987 829 2HB TYR 19 2HB TYR 19 -9.640 -16.875 -1.223 830 HD1 TYR 19 HD1 TYR 19 -12.393 -15.732 0.949 831 HD2 TYR 19 HD2 TYR 19 -9.456 -18.794 0.263 832 HE1 TYR 19 HE1 TYR 19 -13.546 -17.203 2.579 833 HE2 TYR 19 HE2 TYR 19 -10.610 -20.264 1.895 834 HH TYR 19 HH TYR 19 -13.374 -20.234 2.757 835 H ARG 20 H ARG 20 -7.206 -16.759 -0.714 836 HA ARG 20 HA ARG 20 -6.659 -18.436 1.580 837 1HB ARG 20 1HB ARG 20 -5.142 -17.748 -0.955 838 2HB ARG 20 2HB ARG 20 -4.661 -19.029 0.157 839 1HG ARG 20 1HG ARG 20 -6.476 -20.367 -0.375 840 2HG ARG 20 2HG ARG 20 -7.485 -18.995 -0.834 841 1HD ARG 20 1HD ARG 20 -6.142 -18.681 -2.887 842 2HD ARG 20 2HD ARG 20 -5.133 -20.070 -2.432 843 HE ARG 20 HE ARG 20 -7.749 -20.263 -3.600 844 1HH1 ARG 20 1HH1 ARG 20 -5.261 -22.027 -2.253 845 2HH1 ARG 20 2HH1 ARG 20 -6.236 -23.363 -1.736 846 1HH2 ARG 20 1HH2 ARG 20 -9.241 -21.781 -2.439 847 2HH2 ARG 20 2HH2 ARG 20 -8.490 -23.223 -1.841 848 H PHE 21 H PHE 21 -5.493 -15.307 0.501 849 HA PHE 21 HA PHE 21 -3.055 -15.211 2.021 850 1HB PHE 21 1HB PHE 21 -4.970 -13.049 1.085 851 2HB PHE 21 2HB PHE 21 -3.313 -12.768 1.613 852 HD1 PHE 21 HD1 PHE 21 -3.153 -15.883 0.137 853 HD2 PHE 21 HD2 PHE 21 -3.704 -11.758 -0.938 854 HE1 PHE 21 HE1 PHE 21 -2.345 -16.372 -2.157 855 HE2 PHE 21 HE2 PHE 21 -2.894 -12.249 -3.230 856 HZ PHE 21 HZ PHE 21 -2.215 -14.555 -3.839 857 H LYS 22 H LYS 22 -6.400 -14.921 2.927 858 HA LYS 22 HA LYS 22 -6.171 -13.288 5.263 859 1HB LYS 22 1HB LYS 22 -8.028 -15.576 4.537 860 2HB LYS 22 2HB LYS 22 -8.324 -14.424 5.838 861 1HG LYS 22 1HG LYS 22 -7.824 -13.520 3.000 862 2HG LYS 22 2HG LYS 22 -9.442 -13.923 3.577 863 1HD LYS 22 1HD LYS 22 -9.499 -12.141 5.077 864 2HD LYS 22 2HD LYS 22 -7.741 -12.038 5.177 865 1HE LYS 22 1HE LYS 22 -8.640 -10.140 3.871 866 2HE LYS 22 2HE LYS 22 -7.688 -11.206 2.819 867 1HZ LYS 22 1HZ LYS 22 -10.442 -12.007 3.139 868 2HZ LYS 22 2HZ LYS 22 -9.503 -11.891 1.726 869 3HZ LYS 22 3HZ LYS 22 -10.258 -10.509 2.363 870 H LYS 23 H LYS 23 -5.427 -16.677 4.686 871 HA LYS 23 HA LYS 23 -5.339 -17.455 7.488 872 1HB LYS 23 1HB LYS 23 -4.005 -18.697 5.063 873 2HB LYS 23 2HB LYS 23 -4.446 -19.513 6.562 874 1HG LYS 23 1HG LYS 23 -6.323 -18.336 4.498 875 2HG LYS 23 2HG LYS 23 -6.153 -20.035 4.944 876 1HD LYS 23 1HD LYS 23 -6.948 -19.520 7.223 877 2HD LYS 23 2HD LYS 23 -7.118 -17.821 6.781 878 1HE LYS 23 1HE LYS 23 -8.482 -19.768 4.988 879 2HE LYS 23 2HE LYS 23 -9.180 -19.563 6.608 880 1HZ LYS 23 1HZ LYS 23 -10.109 -17.863 5.279 881 2HZ LYS 23 2HZ LYS 23 -8.607 -17.458 4.597 882 3HZ LYS 23 3HZ LYS 23 -8.924 -17.106 6.229 883 H HIS 24 H HIS 24 -2.814 -16.707 5.052 884 HA HIS 24 HA HIS 24 -0.755 -16.677 7.194 885 1HB HIS 24 1HB HIS 24 -0.342 -16.107 4.261 886 2HB HIS 24 2HB HIS 24 0.769 -16.865 5.401 887 HD1 HIS 24 HD1 HIS 24 0.008 -19.325 6.268 888 HD2 HIS 24 HD2 HIS 24 -1.919 -17.911 2.852 889 HE1 HIS 24 HE1 HIS 24 -1.084 -21.333 5.179 890 H CYS 25 H CYS 25 -2.473 -14.599 7.650 891 HA CYS 25 HA CYS 25 -2.060 -12.152 6.286 892 1HB CYS 25 1HB CYS 25 -2.954 -11.184 8.331 893 2HB CYS 25 2HB CYS 25 -3.758 -12.729 8.054 894 HG CYS 25 HG CYS 25 -2.842 -12.509 10.578 895 H THR 26 H THR 26 0.159 -13.966 8.187 896 HA THR 26 HA THR 26 1.812 -11.586 8.851 897 HB THR 26 HB THR 26 3.169 -13.563 9.923 898 HG1 THR 26 HG1 THR 26 2.315 -15.428 9.585 899 1HG2 THR 26 1HG2 THR 26 1.151 -11.883 10.807 900 2HG2 THR 26 2HG2 THR 26 2.156 -12.908 11.832 901 3HG2 THR 26 3HG2 THR 26 0.581 -13.483 11.285 902 H LEU 27 H LEU 27 1.413 -13.139 6.077 903 HA LEU 27 HA LEU 27 4.247 -13.799 5.500 904 1HB LEU 27 1HB LEU 27 1.589 -14.411 4.465 905 2HB LEU 27 2HB LEU 27 2.707 -13.972 3.171 906 HG LEU 27 HG LEU 27 3.166 -16.094 5.290 907 1HD1 LEU 27 1HD1 LEU 27 3.420 -17.237 2.790 908 2HD1 LEU 27 2HD1 LEU 27 2.096 -16.098 2.552 909 3HD1 LEU 27 3HD1 LEU 27 1.981 -17.334 3.805 910 1HD2 LEU 27 1HD2 LEU 27 5.024 -14.540 3.774 911 2HD2 LEU 27 2HD2 LEU 27 5.033 -16.177 3.118 912 3HD2 LEU 27 3HD2 LEU 27 5.365 -15.911 4.829 913 H TYR 28 H TYR 28 1.733 -11.509 4.402 914 HA TYR 28 HA TYR 28 3.868 -9.924 3.029 915 1HB TYR 28 1HB TYR 28 1.831 -8.877 1.913 916 2HB TYR 28 2HB TYR 28 2.075 -10.588 1.568 917 HD1 TYR 28 HD1 TYR 28 0.617 -12.300 2.558 918 HD2 TYR 28 HD2 TYR 28 0.002 -8.118 3.334 919 HE1 TYR 28 HE1 TYR 28 -1.643 -12.798 3.450 920 HE2 TYR 28 HE2 TYR 28 -2.259 -8.616 4.221 921 HH TYR 28 HH TYR 28 -3.485 -10.488 5.182 922 H THR 29 H THR 29 3.321 -7.424 3.150 923 HA THR 29 HA THR 29 2.872 -6.805 6.028 924 HB THR 29 HB THR 29 3.975 -5.087 3.785 925 HG1 THR 29 HG1 THR 29 5.220 -6.950 4.015 926 1HG2 THR 29 1HG2 THR 29 4.881 -4.788 6.582 927 2HG2 THR 29 2HG2 THR 29 3.194 -4.361 6.294 928 3HG2 THR 29 3HG2 THR 29 4.475 -3.553 5.390 929 H ALA 30 H ALA 30 1.703 -5.953 2.774 930 HA ALA 30 HA ALA 30 -0.822 -4.975 3.930 931 1HB ALA 30 1HB ALA 30 0.704 -3.040 2.218 932 2HB ALA 30 2HB ALA 30 -0.504 -2.715 3.462 933 3HB ALA 30 3HB ALA 30 1.132 -3.185 3.922 934 H VAL 31 H VAL 31 -2.313 -5.842 2.545 935 HA VAL 31 HA VAL 31 -1.583 -6.473 -0.245 936 HB VAL 31 HB VAL 31 -4.143 -6.831 1.351 937 1HG1 VAL 31 1HG1 VAL 31 -3.755 -8.821 -0.644 938 2HG1 VAL 31 2HG1 VAL 31 -3.508 -7.253 -1.414 939 3HG1 VAL 31 3HG1 VAL 31 -5.020 -7.594 -0.572 940 1HG2 VAL 31 1HG2 VAL 31 -1.658 -8.013 1.780 941 2HG2 VAL 31 2HG2 VAL 31 -2.517 -9.199 0.798 942 3HG2 VAL 31 3HG2 VAL 31 -3.211 -8.650 2.323 943 H SER 32 H SER 32 -1.528 -4.507 -1.406 944 HA SER 32 HA SER 32 -3.276 -2.293 -1.101 945 1HB SER 32 1HB SER 32 -1.469 -1.787 -2.381 946 2HB SER 32 2HB SER 32 -1.355 -3.407 -3.049 947 HG SER 32 HG SER 32 -2.225 -2.533 -4.750 948 H SER 33 H SER 33 -5.155 -1.671 -2.268 949 HA SER 33 HA SER 33 -7.069 -3.692 -2.909 950 1HB SER 33 1HB SER 33 -7.449 -1.118 -4.241 951 2HB SER 33 2HB SER 33 -8.394 -1.851 -2.950 952 HG SER 33 HG SER 33 -7.374 -0.634 -1.586 953 H THR 34 H THR 34 -7.965 -4.147 -5.096 954 HA THR 34 HA THR 34 -5.932 -4.717 -7.059 955 HB THR 34 HB THR 34 -8.846 -4.549 -7.729 956 HG1 THR 34 HG1 THR 34 -8.664 -6.755 -6.487 957 1HG2 THR 34 1HG2 THR 34 -6.933 -6.870 -7.985 958 2HG2 THR 34 2HG2 THR 34 -6.970 -5.563 -9.170 959 3HG2 THR 34 3HG2 THR 34 -8.403 -6.557 -8.908 960 H TRP 35 H TRP 35 -5.111 -3.344 -8.620 961 HA TRP 35 HA TRP 35 -6.841 -1.163 -9.669 962 1HB TRP 35 1HB TRP 35 -5.069 0.491 -9.232 963 2HB TRP 35 2HB TRP 35 -5.589 -0.272 -7.735 964 HD1 TRP 35 HD1 TRP 35 -3.845 -1.629 -6.384 965 HE1 TRP 35 HE1 TRP 35 -1.325 -2.093 -6.668 966 HE3 TRP 35 HE3 TRP 35 -3.156 0.097 -11.142 967 HZ2 TRP 35 HZ2 TRP 35 0.715 -1.772 -8.652 968 HZ3 TRP 35 HZ3 TRP 35 -0.919 0.006 -12.200 969 HH2 TRP 35 HH2 TRP 35 1.010 -0.916 -10.967 970 H HIS 36 H HIS 36 -6.714 -1.322 -11.856 971 HA HIS 36 HA HIS 36 -4.556 -2.796 -13.170 972 1HB HIS 36 1HB HIS 36 -6.867 -2.936 -13.937 973 2HB HIS 36 2HB HIS 36 -6.932 -1.189 -14.155 974 HD1 HIS 36 HD1 HIS 36 -5.993 -4.298 -15.865 975 HD2 HIS 36 HD2 HIS 36 -5.117 -0.245 -16.292 976 HE1 HIS 36 HE1 HIS 36 -4.984 -4.023 -18.171 977 H TRP 37 H TRP 37 -3.361 -1.743 -15.028 978 HA TRP 37 HA TRP 37 -2.113 0.744 -14.135 979 1HB TRP 37 1HB TRP 37 -1.686 -1.416 -16.058 980 2HB TRP 37 2HB TRP 37 -1.253 0.158 -16.725 981 HD1 TRP 37 HD1 TRP 37 0.697 -2.325 -15.591 982 HE1 TRP 37 HE1 TRP 37 2.590 -1.635 -13.983 983 HE3 TRP 37 HE3 TRP 37 -1.054 2.230 -14.063 984 HZ2 TRP 37 HZ2 TRP 37 3.271 0.556 -12.275 985 HZ3 TRP 37 HZ3 TRP 37 0.238 3.592 -12.446 986 HH2 TRP 37 HH2 TRP 37 2.397 2.762 -11.552 987 H THR 38 H THR 38 -4.767 1.373 -14.522 988 HA THR 38 HA THR 38 -4.621 3.260 -16.808 989 HB THR 38 HB THR 38 -5.604 1.041 -17.550 990 HG1 THR 38 HG1 THR 38 -6.899 2.124 -18.821 991 1HG2 THR 38 1HG2 THR 38 -7.111 0.050 -16.209 992 2HG2 THR 38 2HG2 THR 38 -8.218 1.392 -16.496 993 3HG2 THR 38 3HG2 THR 38 -7.101 1.447 -15.132 994 H GLY 39 H GLY 39 -6.610 4.761 -16.713 995 1HA GLY 39 1HA GLY 39 -7.719 4.967 -13.952 996 2HA GLY 39 2HA GLY 39 -6.949 6.377 -14.682 997 H HIS 40 H HIS 40 -9.281 7.169 -14.206 998 HA HIS 40 HA HIS 40 -11.273 7.989 -15.183 999 1HB HIS 40 1HB HIS 40 -9.544 8.024 -17.129 1000 2HB HIS 40 2HB HIS 40 -10.385 6.586 -17.705 1001 HD1 HIS 40 HD1 HIS 40 -13.195 7.825 -16.480 1002 HD2 HIS 40 HD2 HIS 40 -10.683 9.488 -19.361 1003 HE1 HIS 40 HE1 HIS 40 -14.616 9.431 -17.829 1004 H ASN 41 H ASN 41 -12.296 6.156 -17.569 1005 HA ASN 41 HA ASN 41 -13.225 3.828 -15.957 1006 1HB ASN 41 1HB ASN 41 -14.905 5.460 -15.527 1007 2HB ASN 41 2HB ASN 41 -14.879 6.035 -17.194 1008 1HD2 ASN 41 1HD2 ASN 41 -15.861 3.264 -15.160 1009 2HD2 ASN 41 2HD2 ASN 41 -16.988 2.644 -16.267 1010 H VAL 42 H VAL 42 -12.166 2.387 -17.397 1011 HA VAL 42 HA VAL 42 -12.946 2.557 -20.282 1012 HB VAL 42 HB VAL 42 -10.903 1.405 -20.705 1013 1HG1 VAL 42 1HG1 VAL 42 -9.216 2.713 -19.413 1014 2HG1 VAL 42 2HG1 VAL 42 -10.502 3.245 -18.330 1015 3HG1 VAL 42 3HG1 VAL 42 -10.527 3.720 -20.027 1016 1HG2 VAL 42 1HG2 VAL 42 -11.005 0.709 -17.759 1017 2HG2 VAL 42 2HG2 VAL 42 -9.562 0.473 -18.747 1018 3HG2 VAL 42 3HG2 VAL 42 -11.046 -0.400 -19.130 1019 H LYS 43 H LYS 43 -14.051 0.825 -21.216 1020 HA LYS 43 HA LYS 43 -15.409 -1.048 -19.448 1021 1HB LYS 43 1HB LYS 43 -15.224 -0.628 -22.441 1022 2HB LYS 43 2HB LYS 43 -16.252 -1.865 -21.719 1023 1HG LYS 43 1HG LYS 43 -17.227 0.034 -20.277 1024 2HG LYS 43 2HG LYS 43 -16.444 1.133 -21.414 1025 1HD LYS 43 1HD LYS 43 -17.890 0.623 -23.113 1026 2HD LYS 43 2HD LYS 43 -18.032 -1.065 -22.621 1027 1HE LYS 43 1HE LYS 43 -19.846 -0.646 -21.292 1028 2HE LYS 43 2HE LYS 43 -19.176 0.889 -20.705 1029 1HZ LYS 43 1HZ LYS 43 -19.594 1.818 -22.942 1030 2HZ LYS 43 2HZ LYS 43 -21.023 1.364 -22.141 1031 3HZ LYS 43 3HZ LYS 43 -20.386 0.381 -23.371 1032 H HIS 44 H HIS 44 -12.538 -1.135 -21.457 1033 HA HIS 44 HA HIS 44 -12.241 -3.911 -21.910 1034 1HB HIS 44 1HB HIS 44 -10.875 -1.850 -22.677 1035 2HB HIS 44 2HB HIS 44 -10.000 -2.028 -21.156 1036 HD1 HIS 44 HD1 HIS 44 -10.291 -3.446 -24.552 1037 HD2 HIS 44 HD2 HIS 44 -8.598 -4.588 -20.918 1038 HE1 HIS 44 HE1 HIS 44 -8.710 -5.358 -25.066 1039 H LYS 45 H LYS 45 -11.786 -5.608 -20.542 1040 HA LYS 45 HA LYS 45 -11.998 -5.518 -17.753 1041 1HB LYS 45 1HB LYS 45 -10.454 -7.340 -19.619 1042 2HB LYS 45 2HB LYS 45 -10.704 -7.705 -17.912 1043 1HG LYS 45 1HG LYS 45 -13.054 -7.865 -18.173 1044 2HG LYS 45 2HG LYS 45 -13.016 -7.061 -19.743 1045 1HD LYS 45 1HD LYS 45 -12.051 -8.952 -20.809 1046 2HD LYS 45 2HD LYS 45 -11.613 -9.694 -19.270 1047 1HE LYS 45 1HE LYS 45 -13.569 -10.869 -20.040 1048 2HE LYS 45 2HE LYS 45 -14.140 -9.769 -18.767 1049 1HZ LYS 45 1HZ LYS 45 -15.270 -9.770 -21.112 1050 2HZ LYS 45 2HZ LYS 45 -13.959 -8.771 -21.521 1051 3HZ LYS 45 3HZ LYS 45 -15.023 -8.316 -20.276 1052 H SER 46 H SER 46 -10.441 -5.430 -16.049 1053 HA SER 46 HA SER 46 -7.597 -5.057 -16.570 1054 1HB SER 46 1HB SER 46 -8.302 -2.618 -15.316 1055 2HB SER 46 2HB SER 46 -7.679 -2.833 -16.948 1056 HG SER 46 HG SER 46 -9.741 -1.767 -16.849 1057 H ALA 47 H ALA 47 -6.526 -5.663 -14.709 1058 HA ALA 47 HA ALA 47 -7.564 -5.042 -12.050 1059 1HB ALA 47 1HB ALA 47 -7.408 -7.882 -12.055 1060 2HB ALA 47 2HB ALA 47 -8.847 -6.885 -11.834 1061 3HB ALA 47 3HB ALA 47 -8.382 -7.417 -13.451 1062 H ILE 48 H ILE 48 -5.572 -4.425 -11.255 1063 HA ILE 48 HA ILE 48 -3.417 -6.496 -11.210 1064 HB ILE 48 HB ILE 48 -3.224 -3.615 -12.146 1065 1HG1 ILE 48 1HG1 ILE 48 -2.428 -6.211 -13.500 1066 2HG1 ILE 48 2HG1 ILE 48 -3.957 -5.379 -13.786 1067 1HG2 ILE 48 1HG2 ILE 48 -1.021 -3.588 -11.655 1068 2HG2 ILE 48 2HG2 ILE 48 -0.786 -5.207 -12.315 1069 3HG2 ILE 48 3HG2 ILE 48 -1.321 -5.004 -10.646 1070 1HD1 ILE 48 1HD1 ILE 48 -1.241 -4.697 -14.724 1071 2HD1 ILE 48 2HD1 ILE 48 -2.175 -3.331 -14.112 1072 3HD1 ILE 48 3HD1 ILE 48 -2.809 -4.311 -15.435 1073 H VAL 49 H VAL 49 -2.471 -6.586 -9.174 1074 HA VAL 49 HA VAL 49 -2.977 -4.267 -7.340 1075 HB VAL 49 HB VAL 49 -4.234 -6.629 -7.182 1076 1HG1 VAL 49 1HG1 VAL 49 -1.726 -7.037 -5.524 1077 2HG1 VAL 49 2HG1 VAL 49 -2.099 -7.901 -7.016 1078 3HG1 VAL 49 3HG1 VAL 49 -3.118 -8.118 -5.594 1079 1HG2 VAL 49 1HG2 VAL 49 -3.562 -4.495 -5.372 1080 2HG2 VAL 49 2HG2 VAL 49 -3.615 -6.016 -4.481 1081 3HG2 VAL 49 3HG2 VAL 49 -5.019 -5.489 -5.409 1082 H THR 50 H THR 50 -1.441 -4.674 -5.275 1083 HA THR 50 HA THR 50 1.239 -5.647 -6.149 1084 HB THR 50 HB THR 50 0.465 -2.854 -5.264 1085 HG1 THR 50 HG1 THR 50 2.185 -3.201 -7.345 1086 1HG2 THR 50 1HG2 THR 50 3.061 -4.306 -5.071 1087 2HG2 THR 50 2HG2 THR 50 2.413 -3.023 -4.051 1088 3HG2 THR 50 3HG2 THR 50 3.109 -2.632 -5.624 1089 H LEU 51 H LEU 51 2.696 -5.948 -4.287 1090 HA LEU 51 HA LEU 51 1.322 -5.910 -1.628 1091 1HB LEU 51 1HB LEU 51 2.772 -8.144 -3.063 1092 2HB LEU 51 2HB LEU 51 2.506 -8.176 -1.319 1093 HG LEU 51 HG LEU 51 0.206 -7.660 -3.190 1094 1HD1 LEU 51 1HD1 LEU 51 0.729 -10.436 -2.227 1095 2HD1 LEU 51 2HD1 LEU 51 1.670 -9.866 -3.605 1096 3HD1 LEU 51 3HD1 LEU 51 -0.091 -9.891 -3.690 1097 1HD2 LEU 51 1HD2 LEU 51 0.270 -9.149 -0.561 1098 2HD2 LEU 51 2HD2 LEU 51 -1.107 -8.375 -1.344 1099 3HD2 LEU 51 3HD2 LEU 51 0.166 -7.390 -0.622 1100 H THR 52 H THR 52 2.620 -5.021 -0.067 1101 HA THR 52 HA THR 52 5.438 -4.380 -0.775 1102 HB THR 52 HB THR 52 4.791 -3.256 1.694 1103 HG1 THR 52 HG1 THR 52 2.692 -3.597 1.715 1104 1HG2 THR 52 1HG2 THR 52 4.387 -1.187 0.298 1105 2HG2 THR 52 2HG2 THR 52 4.497 -2.213 -1.132 1106 3HG2 THR 52 3HG2 THR 52 5.890 -2.036 -0.064 1107 H TYR 53 H TYR 53 7.119 -5.477 0.166 1108 HA TYR 53 HA TYR 53 6.496 -7.256 2.502 1109 1HB TYR 53 1HB TYR 53 8.211 -7.525 0.041 1110 2HB TYR 53 2HB TYR 53 8.575 -8.483 1.477 1111 HD1 TYR 53 HD1 TYR 53 6.347 -8.048 -1.359 1112 HD2 TYR 53 HD2 TYR 53 6.820 -10.017 2.433 1113 HE1 TYR 53 HE1 TYR 53 4.548 -9.647 -1.963 1114 HE2 TYR 53 HE2 TYR 53 5.020 -11.614 1.827 1115 HH TYR 53 HH TYR 53 3.508 -11.543 -1.390 1116 H ASP 54 H ASP 54 8.157 -7.399 4.141 1117 HA ASP 54 HA ASP 54 9.830 -4.952 4.331 1118 1HB ASP 54 1HB ASP 54 8.967 -7.143 6.237 1119 2HB ASP 54 2HB ASP 54 10.063 -5.844 6.708 1120 H SER 55 H SER 55 10.134 -8.344 3.680 1121 HA SER 55 HA SER 55 13.097 -8.041 3.587 1122 1HB SER 55 1HB SER 55 13.202 -10.291 4.786 1123 2HB SER 55 2HB SER 55 12.675 -8.933 5.776 1124 HG SER 55 HG SER 55 10.605 -10.113 4.465 1125 H GLU 56 H GLU 56 13.997 -9.210 1.883 1126 HA GLU 56 HA GLU 56 12.352 -10.172 -0.237 1127 1HB GLU 56 1HB GLU 56 15.194 -10.023 0.519 1128 2HB GLU 56 2HB GLU 56 14.822 -11.371 -0.558 1129 1HG GLU 56 1HG GLU 56 13.520 -9.646 -1.969 1130 2HG GLU 56 2HG GLU 56 14.378 -8.423 -1.031 1131 H TRP 57 H TRP 57 14.024 -11.883 2.404 1132 HA TRP 57 HA TRP 57 13.640 -14.556 1.599 1133 1HB TRP 57 1HB TRP 57 14.843 -13.464 3.625 1134 2HB TRP 57 2HB TRP 57 13.278 -13.571 4.431 1135 HD1 TRP 57 HD1 TRP 57 12.838 -15.750 5.651 1136 HE1 TRP 57 HE1 TRP 57 13.774 -18.151 5.548 1137 HE3 TRP 57 HE3 TRP 57 16.027 -15.286 1.685 1138 HZ2 TRP 57 HZ2 TRP 57 15.628 -19.672 3.990 1139 HZ3 TRP 57 HZ3 TRP 57 17.365 -17.225 0.914 1140 HH2 TRP 57 HH2 TRP 57 17.170 -19.416 2.060 1141 H GLN 58 H GLN 58 11.453 -12.551 3.612 1142 HA GLN 58 HA GLN 58 9.374 -14.435 3.941 1143 1HB GLN 58 1HB GLN 58 9.719 -12.172 5.030 1144 2HB GLN 58 2HB GLN 58 9.087 -11.443 3.554 1145 1HG GLN 58 1HG GLN 58 6.969 -12.600 3.823 1146 2HG GLN 58 2HG GLN 58 7.595 -13.502 5.203 1147 1HE2 GLN 58 1HE2 GLN 58 5.511 -12.296 6.122 1148 2HE2 GLN 58 2HE2 GLN 58 5.810 -10.791 6.847 1149 H ARG 59 H ARG 59 9.929 -12.127 1.271 1150 HA ARG 59 HA ARG 59 7.493 -12.554 -0.145 1151 1HB ARG 59 1HB ARG 59 9.270 -10.797 -0.514 1152 2HB ARG 59 2HB ARG 59 10.267 -12.043 -1.266 1153 1HG ARG 59 1HG ARG 59 7.547 -12.002 -2.339 1154 2HG ARG 59 2HG ARG 59 8.385 -10.467 -2.572 1155 1HD ARG 59 1HD ARG 59 9.494 -13.190 -3.347 1156 2HD ARG 59 2HD ARG 59 8.830 -11.989 -4.472 1157 HE ARG 59 HE ARG 59 11.366 -11.718 -2.962 1158 1HH1 ARG 59 1HH1 ARG 59 8.799 -10.025 -4.461 1159 2HH1 ARG 59 2HH1 ARG 59 9.824 -8.860 -5.230 1160 1HH2 ARG 59 1HH2 ARG 59 12.766 -10.360 -4.176 1161 2HH2 ARG 59 2HH2 ARG 59 12.069 -9.049 -5.070 1162 H ASP 60 H ASP 60 10.571 -14.334 -0.211 1163 HA ASP 60 HA ASP 60 10.002 -16.071 -2.397 1164 1HB ASP 60 1HB ASP 60 11.628 -16.488 0.135 1165 2HB ASP 60 2HB ASP 60 11.785 -17.440 -1.341 1166 H GLN 61 H GLN 61 9.322 -16.406 1.091 1167 HA GLN 61 HA GLN 61 8.262 -19.071 0.971 1168 1HB GLN 61 1HB GLN 61 7.836 -16.717 2.837 1169 2HB GLN 61 2HB GLN 61 7.272 -18.352 3.184 1170 1HG GLN 61 1HG GLN 61 9.516 -19.216 3.182 1171 2HG GLN 61 2HG GLN 61 10.159 -17.699 2.552 1172 1HE2 GLN 61 1HE2 GLN 61 10.601 -16.011 4.054 1173 2HE2 GLN 61 2HE2 GLN 61 10.342 -16.159 5.724 1174 H PHE 62 H PHE 62 6.719 -15.869 0.689 1175 HA PHE 62 HA PHE 62 4.002 -16.644 0.683 1176 1HB PHE 62 1HB PHE 62 4.726 -14.335 0.760 1177 2HB PHE 62 2HB PHE 62 5.545 -14.489 -0.794 1178 HD1 PHE 62 HD1 PHE 62 2.231 -14.405 0.876 1179 HD2 PHE 62 HD2 PHE 62 4.339 -14.352 -2.868 1180 HE1 PHE 62 HE1 PHE 62 0.141 -13.757 -0.292 1181 HE2 PHE 62 HE2 PHE 62 2.248 -13.704 -4.036 1182 HZ PHE 62 HZ PHE 62 0.149 -13.407 -2.747 1183 H LEU 63 H LEU 63 6.360 -16.545 -1.985 1184 HA LEU 63 HA LEU 63 4.615 -17.231 -4.126 1185 1HB LEU 63 1HB LEU 63 7.529 -17.930 -3.630 1186 2HB LEU 63 2HB LEU 63 6.734 -17.936 -5.204 1187 HG LEU 63 HG LEU 63 6.624 -15.456 -3.520 1188 1HD1 LEU 63 1HD1 LEU 63 8.824 -15.621 -5.488 1189 2HD1 LEU 63 2HD1 LEU 63 9.054 -16.593 -4.034 1190 3HD1 LEU 63 3HD1 LEU 63 8.789 -14.854 -3.900 1191 1HD2 LEU 63 1HD2 LEU 63 5.406 -15.955 -5.785 1192 2HD2 LEU 63 2HD2 LEU 63 6.994 -15.679 -6.500 1193 3HD2 LEU 63 3HD2 LEU 63 6.210 -14.398 -5.575 1194 H SER 64 H SER 64 5.977 -19.166 -1.552 1195 HA SER 64 HA SER 64 5.159 -21.699 -2.895 1196 1HB SER 64 1HB SER 64 6.350 -22.580 -0.750 1197 2HB SER 64 2HB SER 64 7.335 -21.816 -1.993 1198 HG SER 64 HG SER 64 7.724 -21.032 0.167 1199 H GLN 65 H GLN 65 3.918 -19.398 -0.742 1200 HA GLN 65 HA GLN 65 2.296 -21.363 0.793 1201 1HB GLN 65 1HB GLN 65 2.799 -18.377 0.931 1202 2HB GLN 65 2HB GLN 65 1.623 -19.190 1.967 1203 1HG GLN 65 1HG GLN 65 4.043 -20.701 2.050 1204 2HG GLN 65 2HG GLN 65 4.458 -19.008 2.317 1205 1HE2 GLN 65 1HE2 GLN 65 4.182 -18.281 4.437 1206 2HE2 GLN 65 2HE2 GLN 65 3.195 -19.027 5.599 1207 H VAL 66 H VAL 66 2.038 -18.922 -1.729 1208 HA VAL 66 HA VAL 66 -0.924 -19.357 -1.852 1209 HB VAL 66 HB VAL 66 -0.921 -17.200 -3.036 1210 1HG1 VAL 66 1HG1 VAL 66 -0.660 -17.453 -0.431 1211 2HG1 VAL 66 2HG1 VAL 66 -0.484 -15.862 -1.171 1212 3HG1 VAL 66 3HG1 VAL 66 0.947 -16.787 -0.719 1213 1HG2 VAL 66 1HG2 VAL 66 1.906 -17.868 -3.315 1214 2HG2 VAL 66 2HG2 VAL 66 1.678 -16.230 -2.702 1215 3HG2 VAL 66 3HG2 VAL 66 0.937 -16.711 -4.228 1216 H LYS 67 H LYS 67 -0.562 -21.421 -3.036 1217 HA LYS 67 HA LYS 67 0.876 -22.088 -5.230 1218 1HB LYS 67 1HB LYS 67 -1.032 -23.419 -5.926 1219 2HB LYS 67 2HB LYS 67 -1.051 -23.318 -4.165 1220 1HG LYS 67 1HG LYS 67 -2.543 -21.168 -4.660 1221 2HG LYS 67 2HG LYS 67 -2.878 -22.040 -6.156 1222 1HD LYS 67 1HD LYS 67 -3.000 -23.834 -3.882 1223 2HD LYS 67 2HD LYS 67 -4.090 -22.466 -3.655 1224 1HE LYS 67 1HE LYS 67 -5.326 -24.173 -4.853 1225 2HE LYS 67 2HE LYS 67 -4.933 -22.903 -6.030 1226 1HZ LYS 67 1HZ LYS 67 -3.163 -24.124 -6.879 1227 2HZ LYS 67 2HZ LYS 67 -4.361 -25.306 -6.649 1228 3HZ LYS 67 3HZ LYS 67 -3.086 -25.156 -5.536 1229 H ILE 68 H ILE 68 1.563 -20.553 -6.734 1230 HA ILE 68 HA ILE 68 -0.343 -18.631 -7.901 1231 HB ILE 68 HB ILE 68 2.590 -19.230 -8.411 1232 1HG1 ILE 68 1HG1 ILE 68 1.327 -17.022 -6.759 1233 2HG1 ILE 68 2HG1 ILE 68 1.975 -18.512 -6.070 1234 1HG2 ILE 68 1HG2 ILE 68 1.201 -16.625 -8.982 1235 2HG2 ILE 68 2HG2 ILE 68 1.133 -17.935 -10.162 1236 3HG2 ILE 68 3HG2 ILE 68 2.691 -17.265 -9.677 1237 1HD1 ILE 68 1HD1 ILE 68 4.016 -17.636 -7.739 1238 2HD1 ILE 68 2HD1 ILE 68 3.966 -17.448 -5.986 1239 3HD1 ILE 68 3HD1 ILE 68 3.396 -16.145 -7.030 1240 HA PRO 69 HA PRO 69 -1.259 -21.661 -11.073 1241 1HB PRO 69 1HB PRO 69 -2.955 -20.053 -12.497 1242 2HB PRO 69 2HB PRO 69 -3.453 -20.926 -11.034 1243 1HG PRO 69 1HG PRO 69 -2.700 -18.069 -11.367 1244 2HG PRO 69 2HG PRO 69 -3.962 -18.794 -10.361 1245 1HD PRO 69 1HD PRO 69 -1.565 -17.946 -9.385 1246 2HD PRO 69 2HD PRO 69 -2.519 -19.253 -8.650 1247 H LYS 70 H LYS 70 -1.711 -20.698 -13.718 1248 HA LYS 70 HA LYS 70 1.013 -19.652 -14.369 1249 1HB LYS 70 1HB LYS 70 -1.054 -21.160 -16.005 1250 2HB LYS 70 2HB LYS 70 0.570 -20.742 -16.551 1251 1HG LYS 70 1HG LYS 70 -0.089 -22.494 -14.163 1252 2HG LYS 70 2HG LYS 70 0.498 -23.066 -15.725 1253 1HD LYS 70 1HD LYS 70 2.566 -21.750 -15.434 1254 2HD LYS 70 2HD LYS 70 1.980 -21.176 -13.873 1255 1HE LYS 70 1HE LYS 70 1.780 -23.666 -13.218 1256 2HE LYS 70 2HE LYS 70 2.793 -23.986 -14.640 1257 1HZ LYS 70 1HZ LYS 70 4.514 -23.435 -13.353 1258 2HZ LYS 70 2HZ LYS 70 3.518 -22.804 -12.131 1259 3HZ LYS 70 3HZ LYS 70 3.970 -21.833 -13.449 1260 H THR 71 H THR 71 -2.301 -18.760 -14.348 1261 HA THR 71 HA THR 71 -2.121 -16.874 -16.601 1262 HB THR 71 HB THR 71 -4.434 -16.445 -16.037 1263 HG1 THR 71 HG1 THR 71 -3.549 -17.284 -13.562 1264 1HG2 THR 71 1HG2 THR 71 -4.940 -18.461 -16.882 1265 2HG2 THR 71 2HG2 THR 71 -4.763 -19.171 -15.278 1266 3HG2 THR 71 3HG2 THR 71 -3.374 -19.081 -16.360 1267 H ILE 72 H ILE 72 -1.573 -16.853 -13.165 1268 HA ILE 72 HA ILE 72 -1.676 -13.888 -13.010 1269 HB ILE 72 HB ILE 72 -1.231 -16.146 -11.036 1270 1HG1 ILE 72 1HG1 ILE 72 -3.539 -15.835 -11.852 1271 2HG1 ILE 72 2HG1 ILE 72 -3.411 -15.367 -10.156 1272 1HG2 ILE 72 1HG2 ILE 72 -0.438 -13.396 -10.830 1273 2HG2 ILE 72 2HG2 ILE 72 -0.321 -14.664 -9.609 1274 3HG2 ILE 72 3HG2 ILE 72 -1.780 -13.681 -9.722 1275 1HD1 ILE 72 1HD1 ILE 72 -4.307 -13.383 -10.749 1276 2HD1 ILE 72 2HD1 ILE 72 -4.118 -13.738 -12.465 1277 3HD1 ILE 72 3HD1 ILE 72 -2.778 -13.036 -11.558 1278 H THR 73 H THR 73 0.178 -12.954 -13.877 1279 HA THR 73 HA THR 73 2.800 -14.298 -13.497 1280 HB THR 73 HB THR 73 1.951 -11.829 -15.048 1281 HG1 THR 73 HG1 THR 73 1.470 -13.152 -16.612 1282 1HG2 THR 73 1HG2 THR 73 4.527 -13.296 -14.699 1283 2HG2 THR 73 2HG2 THR 73 4.238 -11.571 -14.931 1284 3HG2 THR 73 3HG2 THR 73 4.150 -12.673 -16.305 1285 H VAL 74 H VAL 74 4.571 -13.140 -12.505 1286 HA VAL 74 HA VAL 74 3.877 -10.634 -11.043 1287 HB VAL 74 HB VAL 74 4.627 -13.333 -9.937 1288 1HG1 VAL 74 1HG1 VAL 74 6.307 -11.687 -9.098 1289 2HG1 VAL 74 2HG1 VAL 74 5.259 -12.296 -7.818 1290 3HG1 VAL 74 3HG1 VAL 74 4.985 -10.689 -8.490 1291 1HG2 VAL 74 1HG2 VAL 74 2.792 -12.872 -8.418 1292 2HG2 VAL 74 2HG2 VAL 74 2.243 -12.517 -10.056 1293 3HG2 VAL 74 3HG2 VAL 74 2.695 -11.201 -8.973 1294 H SER 75 H SER 75 5.765 -9.460 -10.329 1295 HA SER 75 HA SER 75 8.380 -10.409 -11.426 1296 1HB SER 75 1HB SER 75 6.925 -8.798 -12.887 1297 2HB SER 75 2HB SER 75 7.416 -7.570 -11.724 1298 HG SER 75 HG SER 75 8.764 -8.205 -13.758 1299 H THR 76 H THR 76 10.094 -8.586 -10.679 1300 HA THR 76 HA THR 76 9.652 -8.248 -7.742 1301 HB THR 76 HB THR 76 12.262 -7.932 -7.996 1302 HG1 THR 76 HG1 THR 76 12.079 -7.844 -10.309 1303 1HG2 THR 76 1HG2 THR 76 11.739 -9.844 -6.847 1304 2HG2 THR 76 2HG2 THR 76 12.281 -10.597 -8.347 1305 3HG2 THR 76 3HG2 THR 76 10.558 -10.367 -8.046 1306 H GLY 77 H GLY 77 10.275 -6.242 -6.753 1307 1HA GLY 77 1HA GLY 77 11.096 -3.967 -8.397 1308 2HA GLY 77 2HA GLY 77 9.426 -3.863 -7.835 1309 H PHE 78 H PHE 78 10.976 -1.897 -6.894 1310 HA PHE 78 HA PHE 78 11.272 -2.601 -4.017 1311 1HB PHE 78 1HB PHE 78 13.413 -1.360 -5.777 1312 2HB PHE 78 2HB PHE 78 13.528 -1.525 -4.025 1313 HD1 PHE 78 HD1 PHE 78 14.191 -3.090 -7.147 1314 HD2 PHE 78 HD2 PHE 78 13.152 -3.939 -3.065 1315 HE1 PHE 78 HE1 PHE 78 15.027 -5.409 -7.417 1316 HE2 PHE 78 HE2 PHE 78 13.987 -6.260 -3.336 1317 HZ PHE 78 HZ PHE 78 14.924 -6.995 -5.513 1318 H MET 79 H MET 79 10.639 -0.891 -2.706 1319 HA MET 79 HA MET 79 10.050 1.715 -4.071 1320 1HB MET 79 1HB MET 79 8.739 0.177 -1.817 1321 2HB MET 79 2HB MET 79 8.354 1.866 -2.149 1322 1HG MET 79 1HG MET 79 8.137 0.839 -4.649 1323 2HG MET 79 2HG MET 79 7.662 -0.567 -3.696 1324 1HE MET 79 1HE MET 79 4.156 0.418 -4.504 1325 2HE MET 79 2HE MET 79 5.484 0.632 -5.642 1326 3HE MET 79 3HE MET 79 5.467 -0.758 -4.548 1327 H SER 80 H SER 80 10.312 3.643 -2.642 1328 HA SER 80 HA SER 80 12.450 3.211 -0.580 1329 1HB SER 80 1HB SER 80 13.347 4.348 -2.484 1330 2HB SER 80 2HB SER 80 11.923 5.373 -2.630 1331 HG SER 80 HG SER 80 13.403 5.401 -0.249 1332 H ILE 81 H ILE 81 11.137 3.207 1.277 1333 HA ILE 81 HA ILE 81 9.931 5.815 2.002 1334 HB ILE 81 HB ILE 81 7.859 4.405 2.750 1335 1HG1 ILE 81 1HG1 ILE 81 8.553 2.665 0.423 1336 2HG1 ILE 81 2HG1 ILE 81 9.307 2.291 1.974 1337 1HG2 ILE 81 1HG2 ILE 81 6.785 4.840 0.639 1338 2HG2 ILE 81 2HG2 ILE 81 8.325 4.780 -0.218 1339 3HG2 ILE 81 3HG2 ILE 81 7.982 6.112 0.885 1340 1HD1 ILE 81 1HD1 ILE 81 6.458 2.094 1.157 1341 2HD1 ILE 81 2HD1 ILE 81 6.758 2.687 2.791 1342 3HD1 ILE 81 3HD1 ILE 81 7.373 1.110 2.298 Start of MODEL 8 1 1H MET 1 1H MET 1 14.918 2.188 -15.836 2 2H MET 1 2H MET 1 15.554 0.655 -15.470 3 3H MET 1 3H MET 1 16.006 2.008 -14.546 4 HA MET 1 HA MET 1 13.683 0.317 -14.303 5 1HB MET 1 1HB MET 1 15.306 2.283 -12.673 6 2HB MET 1 2HB MET 1 13.886 1.472 -12.012 7 1HG MET 1 1HG MET 1 14.947 -0.534 -11.855 8 2HG MET 1 2HG MET 1 15.794 -0.313 -13.387 9 1HE MET 1 1HE MET 1 15.583 2.115 -10.344 10 2HE MET 1 2HE MET 1 15.595 0.503 -9.635 11 3HE MET 1 3HE MET 1 16.956 1.600 -9.367 12 H THR 2 H THR 2 11.575 1.128 -13.709 13 HA THR 2 HA THR 2 10.948 3.780 -14.924 14 HB THR 2 HB THR 2 9.768 1.800 -15.748 15 HG1 THR 2 HG1 THR 2 8.459 3.782 -14.324 16 1HG2 THR 2 1HG2 THR 2 9.782 1.127 -12.946 17 2HG2 THR 2 2HG2 THR 2 9.384 0.104 -14.327 18 3HG2 THR 2 3HG2 THR 2 8.131 1.081 -13.562 19 HA PRO 3 HA PRO 3 10.971 5.126 -10.591 20 1HB PRO 3 1HB PRO 3 10.085 7.649 -11.147 21 2HB PRO 3 2HB PRO 3 11.785 7.169 -11.304 22 1HG PRO 3 1HG PRO 3 9.723 7.540 -13.398 23 2HG PRO 3 2HG PRO 3 11.461 7.862 -13.453 24 1HD PRO 3 1HD PRO 3 10.232 5.659 -14.564 25 2HD PRO 3 2HD PRO 3 11.948 5.748 -14.125 26 H ILE 4 H ILE 4 9.164 5.728 -9.164 27 HA ILE 4 HA ILE 4 6.445 5.625 -10.390 28 HB ILE 4 HB ILE 4 5.836 3.841 -8.783 29 1HG1 ILE 4 1HG1 ILE 4 8.190 2.763 -7.889 30 2HG1 ILE 4 2HG1 ILE 4 8.543 4.489 -7.791 31 1HG2 ILE 4 1HG2 ILE 4 6.713 3.280 -11.061 32 2HG2 ILE 4 2HG2 ILE 4 7.044 2.027 -9.865 33 3HG2 ILE 4 3HG2 ILE 4 8.326 3.132 -10.362 34 1HD1 ILE 4 1HD1 ILE 4 7.388 4.533 -5.856 35 2HD1 ILE 4 2HD1 ILE 4 6.814 2.883 -6.099 36 3HD1 ILE 4 3HD1 ILE 4 5.930 4.237 -6.803 37 H VAL 5 H VAL 5 5.393 7.380 -9.555 38 HA VAL 5 HA VAL 5 6.228 8.487 -6.933 39 HB VAL 5 HB VAL 5 5.111 9.410 -9.457 40 1HG1 VAL 5 1HG1 VAL 5 3.644 11.180 -8.455 41 2HG1 VAL 5 2HG1 VAL 5 3.748 10.337 -6.910 42 3HG1 VAL 5 3HG1 VAL 5 2.982 9.554 -8.292 43 1HG2 VAL 5 1HG2 VAL 5 6.928 10.665 -8.933 44 2HG2 VAL 5 2HG2 VAL 5 6.756 10.358 -7.205 45 3HG2 VAL 5 3HG2 VAL 5 5.797 11.621 -7.976 46 H HIS 6 H HIS 6 4.933 8.364 -5.113 47 HA HIS 6 HA HIS 6 2.355 6.867 -5.370 48 1HB HIS 6 1HB HIS 6 4.629 6.906 -3.557 49 2HB HIS 6 2HB HIS 6 3.118 7.134 -2.675 50 HD1 HIS 6 HD1 HIS 6 3.125 4.737 -1.694 51 HD2 HIS 6 HD2 HIS 6 3.169 4.832 -5.861 52 HE1 HIS 6 HE1 HIS 6 2.639 2.376 -2.470 53 H LEU 7 H LEU 7 0.442 7.878 -4.707 54 HA LEU 7 HA LEU 7 0.700 10.604 -3.484 55 1HB LEU 7 1HB LEU 7 -0.147 9.873 -6.065 56 2HB LEU 7 2HB LEU 7 -1.629 10.249 -5.184 57 HG LEU 7 HG LEU 7 -0.212 12.327 -4.350 58 1HD1 LEU 7 1HD1 LEU 7 1.807 12.490 -5.338 59 2HD1 LEU 7 2HD1 LEU 7 0.970 12.765 -6.866 60 3HD1 LEU 7 3HD1 LEU 7 1.446 11.131 -6.403 61 1HD2 LEU 7 1HD2 LEU 7 -1.101 12.532 -7.201 62 2HD2 LEU 7 2HD2 LEU 7 -1.449 13.600 -5.842 63 3HD2 LEU 7 3HD2 LEU 7 -2.292 12.058 -5.990 64 H LYS 8 H LYS 8 -0.542 10.850 -1.659 65 HA LYS 8 HA LYS 8 -2.943 9.105 -1.311 66 1HB LYS 8 1HB LYS 8 -1.148 7.943 -0.203 67 2HB LYS 8 2HB LYS 8 -0.559 9.434 0.533 68 1HG LYS 8 1HG LYS 8 -2.536 9.611 1.915 69 2HG LYS 8 2HG LYS 8 -3.295 8.254 1.081 70 1HD LYS 8 1HD LYS 8 -2.422 6.973 2.733 71 2HD LYS 8 2HD LYS 8 -0.884 7.179 1.893 72 1HE LYS 8 1HE LYS 8 -0.710 7.784 4.312 73 2HE LYS 8 2HE LYS 8 -0.399 9.184 3.266 74 1HZ LYS 8 1HZ LYS 8 -3.191 8.759 3.801 75 2HZ LYS 8 2HZ LYS 8 -2.270 10.182 3.921 76 3HZ LYS 8 3HZ LYS 8 -2.298 9.074 5.208 77 H GLY 9 H GLY 9 -4.293 9.937 0.576 78 1HA GLY 9 1HA GLY 9 -4.200 12.116 2.111 79 2HA GLY 9 2HA GLY 9 -4.272 12.903 0.534 80 H ASP 10 H ASP 10 -6.344 13.816 0.991 81 HA ASP 10 HA ASP 10 -8.627 12.321 1.876 82 1HB ASP 10 1HB ASP 10 -8.001 14.948 0.629 83 2HB ASP 10 2HB ASP 10 -9.672 14.400 0.497 84 H ALA 11 H ALA 11 -9.849 10.861 0.751 85 HA ALA 11 HA ALA 11 -9.314 9.870 -1.811 86 1HB ALA 11 1HB ALA 11 -12.101 10.095 -0.672 87 2HB ALA 11 2HB ALA 11 -11.383 8.747 -1.552 88 3HB ALA 11 3HB ALA 11 -10.882 9.085 0.105 89 H ASN 12 H ASN 12 -12.196 11.898 -1.153 90 HA ASN 12 HA ASN 12 -12.885 12.564 -3.759 91 1HB ASN 12 1HB ASN 12 -13.841 14.621 -2.710 92 2HB ASN 12 2HB ASN 12 -14.154 13.173 -1.754 93 1HD2 ASN 12 1HD2 ASN 12 -13.208 13.040 0.351 94 2HD2 ASN 12 2HD2 ASN 12 -12.272 14.286 1.025 95 H THR 13 H THR 13 -10.464 14.219 -1.715 96 HA THR 13 HA THR 13 -9.764 16.312 -3.497 97 HB THR 13 HB THR 13 -8.209 14.709 -1.448 98 HG1 THR 13 HG1 THR 13 -10.091 16.078 -0.911 99 1HG2 THR 13 1HG2 THR 13 -6.988 17.163 -1.604 100 2HG2 THR 13 2HG2 THR 13 -7.346 16.826 -3.298 101 3HG2 THR 13 3HG2 THR 13 -6.379 15.690 -2.357 102 H LEU 14 H LEU 14 -9.178 12.907 -3.713 103 HA LEU 14 HA LEU 14 -6.908 13.204 -5.591 104 1HB LEU 14 1HB LEU 14 -8.439 10.881 -4.388 105 2HB LEU 14 2HB LEU 14 -7.103 10.670 -5.520 106 HG LEU 14 HG LEU 14 -6.723 12.404 -3.099 107 1HD1 LEU 14 1HD1 LEU 14 -6.856 9.400 -3.202 108 2HD1 LEU 14 2HD1 LEU 14 -7.491 10.496 -1.974 109 3HD1 LEU 14 3HD1 LEU 14 -5.756 10.199 -2.079 110 1HD2 LEU 14 1HD2 LEU 14 -4.827 12.518 -4.422 111 2HD2 LEU 14 2HD2 LEU 14 -5.064 10.899 -5.083 112 3HD2 LEU 14 3HD2 LEU 14 -4.418 11.101 -3.454 113 H LYS 15 H LYS 15 -10.364 12.480 -5.629 114 HA LYS 15 HA LYS 15 -10.615 11.350 -8.222 115 1HB LYS 15 1HB LYS 15 -12.335 12.998 -6.384 116 2HB LYS 15 2HB LYS 15 -12.935 12.556 -7.981 117 1HG LYS 15 1HG LYS 15 -11.737 10.468 -6.184 118 2HG LYS 15 2HG LYS 15 -13.420 10.956 -5.976 119 1HD LYS 15 1HD LYS 15 -13.960 10.327 -8.241 120 2HD LYS 15 2HD LYS 15 -12.261 10.059 -8.628 121 1HE LYS 15 1HE LYS 15 -12.145 8.095 -7.304 122 2HE LYS 15 2HE LYS 15 -13.632 8.502 -6.424 123 1HZ LYS 15 1HZ LYS 15 -13.711 8.258 -9.353 124 2HZ LYS 15 2HZ LYS 15 -14.951 8.004 -8.219 125 3HZ LYS 15 3HZ LYS 15 -13.724 6.845 -8.416 126 H CYS 16 H CYS 16 -10.584 14.760 -7.197 127 HA CYS 16 HA CYS 16 -11.092 15.855 -9.820 128 1HB CYS 16 1HB CYS 16 -11.537 17.153 -7.860 129 2HB CYS 16 2HB CYS 16 -9.908 16.895 -7.236 130 HG CYS 16 HG CYS 16 -10.159 19.292 -8.440 131 H LEU 17 H LEU 17 -8.111 15.070 -8.038 132 HA LEU 17 HA LEU 17 -6.224 16.345 -9.740 133 1HB LEU 17 1HB LEU 17 -6.024 13.717 -8.232 134 2HB LEU 17 2HB LEU 17 -4.665 14.713 -8.751 135 HG LEU 17 HG LEU 17 -6.846 15.742 -6.923 136 1HD1 LEU 17 1HD1 LEU 17 -5.118 13.729 -6.246 137 2HD1 LEU 17 2HD1 LEU 17 -5.787 14.892 -5.101 138 3HD1 LEU 17 3HD1 LEU 17 -4.186 15.157 -5.794 139 1HD2 LEU 17 1HD2 LEU 17 -4.150 16.714 -7.865 140 2HD2 LEU 17 2HD2 LEU 17 -4.840 17.302 -6.352 141 3HD2 LEU 17 3HD2 LEU 17 -5.693 17.568 -7.874 142 H ARG 18 H ARG 18 -7.309 12.929 -9.816 143 HA ARG 18 HA ARG 18 -5.956 11.986 -12.048 144 1HB ARG 18 1HB ARG 18 -7.608 10.827 -10.499 145 2HB ARG 18 2HB ARG 18 -8.897 11.519 -11.485 146 1HG ARG 18 1HG ARG 18 -8.201 10.325 -13.422 147 2HG ARG 18 2HG ARG 18 -6.654 9.893 -12.690 148 1HD ARG 18 1HD ARG 18 -8.193 7.957 -12.645 149 2HD ARG 18 2HD ARG 18 -7.881 8.521 -10.991 150 HE ARG 18 HE ARG 18 -10.143 9.900 -12.159 151 1HH1 ARG 18 1HH1 ARG 18 -9.201 7.953 -9.643 152 2HH1 ARG 18 2HH1 ARG 18 -10.707 7.114 -9.473 153 1HH2 ARG 18 1HH2 ARG 18 -12.056 8.391 -12.399 154 2HH2 ARG 18 2HH2 ARG 18 -12.321 7.360 -11.032 155 H TYR 19 H TYR 19 -8.734 14.176 -11.996 156 HA TYR 19 HA TYR 19 -9.404 14.041 -14.779 157 1HB TYR 19 1HB TYR 19 -10.749 15.008 -12.882 158 2HB TYR 19 2HB TYR 19 -9.634 16.374 -12.853 159 HD1 TYR 19 HD1 TYR 19 -12.438 14.813 -14.570 160 HD2 TYR 19 HD2 TYR 19 -9.425 17.862 -14.859 161 HE1 TYR 19 HE1 TYR 19 -13.703 15.890 -16.411 162 HE2 TYR 19 HE2 TYR 19 -10.691 18.939 -16.700 163 HH TYR 19 HH TYR 19 -13.143 18.997 -17.454 164 H ARG 20 H ARG 20 -6.919 15.809 -13.006 165 HA ARG 20 HA ARG 20 -6.259 17.693 -15.096 166 1HB ARG 20 1HB ARG 20 -4.697 16.534 -12.764 167 2HB ARG 20 2HB ARG 20 -4.199 17.946 -13.698 168 1HG ARG 20 1HG ARG 20 -6.469 18.963 -13.119 169 2HG ARG 20 2HG ARG 20 -6.651 17.650 -11.954 170 1HD ARG 20 1HD ARG 20 -4.941 18.448 -10.583 171 2HD ARG 20 2HD ARG 20 -4.130 19.292 -11.918 172 HE ARG 20 HE ARG 20 -6.819 20.301 -11.382 173 1HH1 ARG 20 1HH1 ARG 20 -3.680 20.267 -10.018 174 2HH1 ARG 20 2HH1 ARG 20 -3.658 21.962 -9.665 175 1HH2 ARG 20 1HH2 ARG 20 -6.718 22.583 -11.179 176 2HH2 ARG 20 2HH2 ARG 20 -5.381 23.275 -10.323 177 H PHE 21 H PHE 21 -5.522 14.334 -14.559 178 HA PHE 21 HA PHE 21 -3.094 14.138 -16.086 179 1HB PHE 21 1HB PHE 21 -5.338 12.227 -15.378 180 2HB PHE 21 2HB PHE 21 -3.866 11.706 -16.195 181 HD1 PHE 21 HD1 PHE 21 -3.048 14.454 -14.154 182 HD2 PHE 21 HD2 PHE 21 -3.946 10.256 -13.939 183 HE1 PHE 21 HE1 PHE 21 -1.881 14.315 -11.969 184 HE2 PHE 21 HE2 PHE 21 -2.780 10.120 -11.753 185 HZ PHE 21 HZ PHE 21 -1.748 12.149 -10.769 186 H LYS 22 H LYS 22 -6.531 13.975 -16.961 187 HA LYS 22 HA LYS 22 -6.212 13.077 -19.658 188 1HB LYS 22 1HB LYS 22 -8.318 14.932 -18.508 189 2HB LYS 22 2HB LYS 22 -8.506 13.831 -19.873 190 1HG LYS 22 1HG LYS 22 -8.176 13.135 -16.950 191 2HG LYS 22 2HG LYS 22 -9.498 12.700 -18.031 192 1HD LYS 22 1HD LYS 22 -8.019 11.249 -19.322 193 2HD LYS 22 2HD LYS 22 -6.639 11.740 -18.339 194 1HE LYS 22 1HE LYS 22 -9.093 10.500 -17.077 195 2HE LYS 22 2HE LYS 22 -7.761 9.505 -17.699 196 1HZ LYS 22 1HZ LYS 22 -7.151 11.842 -16.024 197 2HZ LYS 22 2HZ LYS 22 -6.269 10.403 -16.227 198 3HZ LYS 22 3HZ LYS 22 -7.674 10.415 -15.271 199 H LYS 23 H LYS 23 -6.046 16.299 -18.187 200 HA LYS 23 HA LYS 23 -5.993 17.741 -20.714 201 1HB LYS 23 1HB LYS 23 -5.099 18.482 -17.907 202 2HB LYS 23 2HB LYS 23 -5.392 19.622 -19.221 203 1HG LYS 23 1HG LYS 23 -7.495 17.707 -18.180 204 2HG LYS 23 2HG LYS 23 -7.324 19.367 -17.607 205 1HD LYS 23 1HD LYS 23 -7.346 19.185 -20.528 206 2HD LYS 23 2HD LYS 23 -8.828 18.565 -19.798 207 1HE LYS 23 1HE LYS 23 -7.816 21.107 -18.639 208 2HE LYS 23 2HE LYS 23 -8.441 21.206 -20.298 209 1HZ LYS 23 1HZ LYS 23 -10.347 19.793 -19.452 210 2HZ LYS 23 2HZ LYS 23 -10.323 21.410 -18.931 211 3HZ LYS 23 3HZ LYS 23 -9.815 20.170 -17.887 212 H HIS 24 H HIS 24 -3.734 15.797 -19.089 213 HA HIS 24 HA HIS 24 -1.544 16.820 -20.831 214 1HB HIS 24 1HB HIS 24 -1.439 16.439 -17.819 215 2HB HIS 24 2HB HIS 24 -0.038 16.793 -18.831 216 HD1 HIS 24 HD1 HIS 24 -0.223 19.113 -20.248 217 HD2 HIS 24 HD2 HIS 24 -2.847 18.699 -17.035 218 HE1 HIS 24 HE1 HIS 24 -1.083 21.437 -19.720 219 H CYS 25 H CYS 25 -3.082 14.456 -21.142 220 HA CYS 25 HA CYS 25 -2.082 12.102 -19.932 221 1HB CYS 25 1HB CYS 25 -4.023 12.698 -21.660 222 2HB CYS 25 2HB CYS 25 -2.820 12.158 -22.832 223 HG CYS 25 HG CYS 25 -3.482 10.276 -20.442 224 H THR 26 H THR 26 -0.381 14.276 -21.942 225 HA THR 26 HA THR 26 1.407 12.180 -23.048 226 HB THR 26 HB THR 26 2.303 14.076 -24.328 227 HG1 THR 26 HG1 THR 26 1.796 16.108 -23.823 228 1HG2 THR 26 1HG2 THR 26 -0.270 13.060 -24.496 229 2HG2 THR 26 2HG2 THR 26 0.528 14.044 -25.724 230 3HG2 THR 26 3HG2 THR 26 -0.522 14.805 -24.529 231 H LEU 27 H LEU 27 1.160 13.581 -20.125 232 HA LEU 27 HA LEU 27 4.009 14.327 -19.774 233 1HB LEU 27 1HB LEU 27 1.420 14.735 -18.447 234 2HB LEU 27 2HB LEU 27 2.729 14.399 -17.313 235 HG LEU 27 HG LEU 27 2.788 16.520 -19.480 236 1HD1 LEU 27 1HD1 LEU 27 2.907 17.091 -16.543 237 2HD1 LEU 27 2HD1 LEU 27 1.337 16.748 -17.269 238 3HD1 LEU 27 3HD1 LEU 27 2.303 18.102 -17.854 239 1HD2 LEU 27 1HD2 LEU 27 5.006 16.703 -19.086 240 2HD2 LEU 27 2HD2 LEU 27 4.896 15.181 -18.202 241 3HD2 LEU 27 3HD2 LEU 27 4.752 16.713 -17.341 242 H TYR 28 H TYR 28 1.685 12.073 -18.223 243 HA TYR 28 HA TYR 28 3.951 10.466 -17.171 244 1HB TYR 28 1HB TYR 28 2.073 9.313 -15.974 245 2HB TYR 28 2HB TYR 28 2.089 11.055 -15.697 246 HD1 TYR 28 HD1 TYR 28 0.272 12.431 -16.376 247 HD2 TYR 28 HD2 TYR 28 0.504 8.357 -17.720 248 HE1 TYR 28 HE1 TYR 28 -2.027 12.601 -17.290 249 HE2 TYR 28 HE2 TYR 28 -1.796 8.528 -18.632 250 HH TYR 28 HH TYR 28 -3.685 9.782 -18.629 251 H THR 29 H THR 29 3.651 7.991 -17.410 252 HA THR 29 HA THR 29 3.008 7.407 -20.261 253 HB THR 29 HB THR 29 4.677 6.117 -18.099 254 HG1 THR 29 HG1 THR 29 6.304 6.578 -19.540 255 1HG2 THR 29 1HG2 THR 29 3.728 4.981 -20.724 256 2HG2 THR 29 2HG2 THR 29 3.738 4.216 -19.134 257 3HG2 THR 29 3HG2 THR 29 5.253 4.464 -20.004 258 H ALA 30 H ALA 30 2.156 6.424 -16.956 259 HA ALA 30 HA ALA 30 -0.322 5.191 -17.966 260 1HB ALA 30 1HB ALA 30 1.512 3.443 -16.351 261 2HB ALA 30 2HB ALA 30 0.234 2.973 -17.471 262 3HB ALA 30 3HB ALA 30 1.765 3.590 -18.090 263 H VAL 31 H VAL 31 -1.763 6.061 -16.528 264 HA VAL 31 HA VAL 31 -0.955 6.581 -13.726 265 HB VAL 31 HB VAL 31 -3.250 7.648 -13.710 266 1HG1 VAL 31 1HG1 VAL 31 -0.967 8.356 -15.450 267 2HG1 VAL 31 2HG1 VAL 31 -1.789 9.321 -14.225 268 3HG1 VAL 31 3HG1 VAL 31 -2.477 9.177 -15.843 269 1HG2 VAL 31 1HG2 VAL 31 -4.714 7.302 -15.404 270 2HG2 VAL 31 2HG2 VAL 31 -3.660 5.977 -15.897 271 3HG2 VAL 31 3HG2 VAL 31 -3.473 7.572 -16.628 272 H SER 32 H SER 32 -1.131 4.833 -12.354 273 HA SER 32 HA SER 32 -2.808 2.541 -12.851 274 1HB SER 32 1HB SER 32 -2.003 3.091 -10.075 275 2HB SER 32 2HB SER 32 -1.591 1.727 -11.109 276 HG SER 32 HG SER 32 0.237 2.674 -11.484 277 H SER 33 H SER 33 -4.801 1.974 -11.854 278 HA SER 33 HA SER 33 -6.686 4.053 -11.342 279 1HB SER 33 1HB SER 33 -8.077 2.264 -11.439 280 2HB SER 33 2HB SER 33 -6.638 1.285 -11.707 281 HG SER 33 HG SER 33 -8.135 0.813 -9.831 282 H THR 34 H THR 34 -7.772 4.520 -9.274 283 HA THR 34 HA THR 34 -5.941 5.030 -7.110 284 HB THR 34 HB THR 34 -8.973 5.007 -7.223 285 HG1 THR 34 HG1 THR 34 -8.301 6.399 -8.746 286 1HG2 THR 34 1HG2 THR 34 -7.586 5.169 -4.968 287 2HG2 THR 34 2HG2 THR 34 -8.982 6.210 -5.247 288 3HG2 THR 34 3HG2 THR 34 -7.351 6.834 -5.498 289 H TRP 35 H TRP 35 -5.479 3.781 -5.325 290 HA TRP 35 HA TRP 35 -7.273 1.518 -4.611 291 1HB TRP 35 1HB TRP 35 -5.424 -0.064 -4.735 292 2HB TRP 35 2HB TRP 35 -5.551 0.766 -6.285 293 HD1 TRP 35 HD1 TRP 35 -3.623 2.405 -6.978 294 HE1 TRP 35 HE1 TRP 35 -1.261 2.833 -6.033 295 HE3 TRP 35 HE3 TRP 35 -4.025 0.004 -2.489 296 HZ2 TRP 35 HZ2 TRP 35 0.256 2.232 -3.680 297 HZ3 TRP 35 HZ3 TRP 35 -2.111 -0.055 -0.917 298 HH2 TRP 35 HH2 TRP 35 0.026 1.054 -1.507 299 H HIS 36 H HIS 36 -6.078 0.410 -2.527 300 HA HIS 36 HA HIS 36 -4.581 2.344 -0.892 301 1HB HIS 36 1HB HIS 36 -6.769 3.300 -0.705 302 2HB HIS 36 2HB HIS 36 -7.516 1.718 -0.491 303 HD1 HIS 36 HD1 HIS 36 -5.096 4.045 1.305 304 HD2 HIS 36 HD2 HIS 36 -7.728 0.927 2.162 305 HE1 HIS 36 HE1 HIS 36 -5.166 3.841 3.828 306 H TRP 37 H TRP 37 -4.434 1.424 1.452 307 HA TRP 37 HA TRP 37 -3.621 -1.377 1.273 308 1HB TRP 37 1HB TRP 37 -3.791 0.616 3.556 309 2HB TRP 37 2HB TRP 37 -2.972 -0.943 3.648 310 HD1 TRP 37 HD1 TRP 37 -2.239 2.538 3.027 311 HE1 TRP 37 HE1 TRP 37 -0.023 2.835 1.743 312 HE3 TRP 37 HE3 TRP 37 -1.513 -2.249 1.396 313 HZ2 TRP 37 HZ2 TRP 37 1.814 1.254 0.227 314 HZ3 TRP 37 HZ3 TRP 37 0.477 -2.825 0.034 315 HH2 TRP 37 HH2 TRP 37 2.140 -1.080 -0.551 316 H THR 38 H THR 38 -5.378 -2.790 1.142 317 HA THR 38 HA THR 38 -7.482 -2.540 3.268 318 HB THR 38 HB THR 38 -8.755 -3.958 1.473 319 HG1 THR 38 HG1 THR 38 -6.879 -2.679 -0.199 320 1HG2 THR 38 1HG2 THR 38 -8.270 -1.109 1.770 321 2HG2 THR 38 2HG2 THR 38 -9.777 -1.954 1.415 322 3HG2 THR 38 3HG2 THR 38 -8.679 -1.520 0.104 323 H GLY 39 H GLY 39 -8.552 -4.901 3.493 324 1HA GLY 39 1HA GLY 39 -6.858 -7.193 3.140 325 2HA GLY 39 2HA GLY 39 -6.697 -6.581 4.786 326 H HIS 40 H HIS 40 -8.536 -6.652 6.178 327 HA HIS 40 HA HIS 40 -10.914 -8.140 5.142 328 1HB HIS 40 1HB HIS 40 -8.929 -9.418 6.398 329 2HB HIS 40 2HB HIS 40 -9.767 -8.806 7.825 330 HD1 HIS 40 HD1 HIS 40 -10.671 -10.645 4.598 331 HD2 HIS 40 HD2 HIS 40 -11.861 -10.432 8.588 332 HE1 HIS 40 HE1 HIS 40 -12.498 -12.375 4.895 333 H ASN 41 H ASN 41 -9.682 -6.850 8.258 334 HA ASN 41 HA ASN 41 -12.351 -5.590 8.706 335 1HB ASN 41 1HB ASN 41 -9.996 -6.206 10.521 336 2HB ASN 41 2HB ASN 41 -11.518 -5.495 11.062 337 1HD2 ASN 41 1HD2 ASN 41 -13.536 -6.892 10.208 338 2HD2 ASN 41 2HD2 ASN 41 -13.374 -8.569 10.415 339 H VAL 42 H VAL 42 -12.205 -3.599 7.617 340 HA VAL 42 HA VAL 42 -10.119 -1.714 8.647 341 HB VAL 42 HB VAL 42 -9.938 -0.866 6.297 342 1HG1 VAL 42 1HG1 VAL 42 -8.965 -3.187 5.417 343 2HG1 VAL 42 2HG1 VAL 42 -9.233 -3.660 7.095 344 3HG1 VAL 42 3HG1 VAL 42 -8.175 -2.300 6.721 345 1HG2 VAL 42 1HG2 VAL 42 -10.823 -2.686 4.597 346 2HG2 VAL 42 2HG2 VAL 42 -11.913 -1.435 5.196 347 3HG2 VAL 42 3HG2 VAL 42 -11.957 -3.053 5.895 348 H LYS 43 H LYS 43 -10.885 0.409 8.943 349 HA LYS 43 HA LYS 43 -13.832 0.737 8.821 350 1HB LYS 43 1HB LYS 43 -11.580 2.374 10.034 351 2HB LYS 43 2HB LYS 43 -13.298 2.709 10.252 352 1HG LYS 43 1HG LYS 43 -13.605 0.482 11.272 353 2HG LYS 43 2HG LYS 43 -11.886 0.149 11.059 354 1HD LYS 43 1HD LYS 43 -12.044 0.899 13.296 355 2HD LYS 43 2HD LYS 43 -11.496 2.321 12.407 356 1HE LYS 43 1HE LYS 43 -14.183 2.638 12.165 357 2HE LYS 43 2HE LYS 43 -14.100 1.831 13.743 358 1HZ LYS 43 1HZ LYS 43 -12.174 3.423 14.189 359 2HZ LYS 43 2HZ LYS 43 -13.747 4.066 14.245 360 3HZ LYS 43 3HZ LYS 43 -12.767 4.325 12.881 361 H HIS 44 H HIS 44 -11.654 3.468 8.567 362 HA HIS 44 HA HIS 44 -12.236 3.818 5.677 363 1HB HIS 44 1HB HIS 44 -13.375 5.913 6.052 364 2HB HIS 44 2HB HIS 44 -14.130 4.720 7.109 365 HD1 HIS 44 HD1 HIS 44 -12.953 4.656 9.638 366 HD2 HIS 44 HD2 HIS 44 -12.576 8.168 7.424 367 HE1 HIS 44 HE1 HIS 44 -12.350 6.481 11.286 368 H LYS 45 H LYS 45 -10.291 4.410 4.812 369 HA LYS 45 HA LYS 45 -8.451 6.087 6.488 370 1HB LYS 45 1HB LYS 45 -7.783 4.102 4.292 371 2HB LYS 45 2HB LYS 45 -6.647 4.877 5.397 372 1HG LYS 45 1HG LYS 45 -8.912 3.085 6.312 373 2HG LYS 45 2HG LYS 45 -7.264 2.516 6.045 374 1HD LYS 45 1HD LYS 45 -6.521 4.371 7.647 375 2HD LYS 45 2HD LYS 45 -8.224 4.539 8.077 376 1HE LYS 45 1HE LYS 45 -8.270 2.093 8.655 377 2HE LYS 45 2HE LYS 45 -6.519 2.040 8.368 378 1HZ LYS 45 1HZ LYS 45 -7.587 4.179 10.061 379 2HZ LYS 45 2HZ LYS 45 -6.081 3.394 10.132 380 3HZ LYS 45 3HZ LYS 45 -7.473 2.625 10.731 381 H SER 46 H SER 46 -7.033 5.818 3.554 382 HA SER 46 HA SER 46 -8.590 7.981 2.228 383 1HB SER 46 1HB SER 46 -5.744 8.558 2.244 384 2HB SER 46 2HB SER 46 -7.083 9.571 2.775 385 HG SER 46 HG SER 46 -5.314 8.430 4.285 386 H ALA 47 H ALA 47 -8.925 6.954 0.279 387 HA ALA 47 HA ALA 47 -7.606 4.956 -1.034 388 1HB ALA 47 1HB ALA 47 -9.354 7.131 -1.669 389 2HB ALA 47 2HB ALA 47 -8.165 6.991 -2.964 390 3HB ALA 47 3HB ALA 47 -9.164 5.604 -2.531 391 H ILE 48 H ILE 48 -5.926 4.901 -2.683 392 HA ILE 48 HA ILE 48 -4.039 7.208 -2.725 393 HB ILE 48 HB ILE 48 -3.264 4.341 -2.102 394 1HG1 ILE 48 1HG1 ILE 48 -3.481 6.705 -0.207 395 2HG1 ILE 48 2HG1 ILE 48 -4.661 5.395 -0.299 396 1HG2 ILE 48 1HG2 ILE 48 -1.696 6.908 -1.747 397 2HG2 ILE 48 2HG2 ILE 48 -1.570 5.891 -3.182 398 3HG2 ILE 48 3HG2 ILE 48 -1.095 5.256 -1.607 399 1HD1 ILE 48 1HD1 ILE 48 -3.037 4.991 1.516 400 2HD1 ILE 48 2HD1 ILE 48 -1.715 5.070 0.353 401 3HD1 ILE 48 3HD1 ILE 48 -2.895 3.763 0.260 402 H VAL 49 H VAL 49 -2.770 7.255 -4.657 403 HA VAL 49 HA VAL 49 -3.400 5.120 -6.669 404 HB VAL 49 HB VAL 49 -4.338 7.717 -6.627 405 1HG1 VAL 49 1HG1 VAL 49 -1.855 8.328 -7.165 406 2HG1 VAL 49 2HG1 VAL 49 -3.140 9.080 -8.112 407 3HG1 VAL 49 3HG1 VAL 49 -2.233 7.721 -8.778 408 1HG2 VAL 49 1HG2 VAL 49 -5.516 6.541 -8.155 409 2HG2 VAL 49 2HG2 VAL 49 -4.146 5.495 -8.522 410 3HG2 VAL 49 3HG2 VAL 49 -4.299 7.059 -9.320 411 H THR 50 H THR 50 -1.757 5.544 -8.654 412 HA THR 50 HA THR 50 0.947 6.283 -7.638 413 HB THR 50 HB THR 50 0.152 3.606 -8.833 414 HG1 THR 50 HG1 THR 50 0.677 4.554 -6.256 415 1HG2 THR 50 1HG2 THR 50 2.387 3.021 -8.901 416 2HG2 THR 50 2HG2 THR 50 2.832 4.162 -7.632 417 3HG2 THR 50 3HG2 THR 50 2.518 4.740 -9.269 418 H LEU 51 H LEU 51 2.452 6.723 -9.401 419 HA LEU 51 HA LEU 51 1.201 6.823 -12.124 420 1HB LEU 51 1HB LEU 51 2.679 8.930 -10.528 421 2HB LEU 51 2HB LEU 51 2.452 9.060 -12.272 422 HG LEU 51 HG LEU 51 0.075 8.500 -10.529 423 1HD1 LEU 51 1HD1 LEU 51 1.080 10.398 -9.415 424 2HD1 LEU 51 2HD1 LEU 51 -0.258 10.998 -10.394 425 3HD1 LEU 51 3HD1 LEU 51 1.402 11.192 -10.957 426 1HD2 LEU 51 1HD2 LEU 51 0.565 8.968 -13.271 427 2HD2 LEU 51 2HD2 LEU 51 -0.222 10.427 -12.669 428 3HD2 LEU 51 3HD2 LEU 51 -1.006 8.858 -12.476 429 H THR 52 H THR 52 2.499 5.750 -13.555 430 HA THR 52 HA THR 52 5.337 5.220 -12.829 431 HB THR 52 HB THR 52 4.284 4.062 -15.304 432 HG1 THR 52 HG1 THR 52 2.725 2.789 -14.211 433 1HG2 THR 52 1HG2 THR 52 6.251 3.261 -13.988 434 2HG2 THR 52 2HG2 THR 52 5.042 2.003 -14.246 435 3HG2 THR 52 3HG2 THR 52 5.153 2.812 -12.684 436 H TYR 53 H TYR 53 7.001 6.229 -13.910 437 HA TYR 53 HA TYR 53 6.291 7.870 -16.321 438 1HB TYR 53 1HB TYR 53 8.132 8.268 -13.966 439 2HB TYR 53 2HB TYR 53 8.380 9.172 -15.460 440 HD1 TYR 53 HD1 TYR 53 5.932 8.448 -12.757 441 HD2 TYR 53 HD2 TYR 53 6.954 10.991 -16.065 442 HE1 TYR 53 HE1 TYR 53 4.137 10.025 -12.095 443 HE2 TYR 53 HE2 TYR 53 5.158 12.571 -15.405 444 HH TYR 53 HH TYR 53 3.565 12.382 -12.386 445 H ASP 54 H ASP 54 7.893 7.926 -18.019 446 HA ASP 54 HA ASP 54 9.421 5.429 -18.288 447 1HB ASP 54 1HB ASP 54 8.079 6.346 -20.120 448 2HB ASP 54 2HB ASP 54 8.996 7.851 -20.065 449 H SER 55 H SER 55 10.067 8.559 -17.090 450 HA SER 55 HA SER 55 12.934 7.965 -16.880 451 1HB SER 55 1HB SER 55 11.763 9.953 -18.806 452 2HB SER 55 2HB SER 55 13.341 10.271 -18.089 453 HG SER 55 HG SER 55 12.518 8.052 -19.651 454 H GLU 56 H GLU 56 14.032 9.608 -15.527 455 HA GLU 56 HA GLU 56 12.351 10.605 -13.395 456 1HB GLU 56 1HB GLU 56 15.251 11.080 -14.159 457 2HB GLU 56 2HB GLU 56 14.541 11.519 -12.605 458 1HG GLU 56 1HG GLU 56 13.943 9.150 -12.216 459 2HG GLU 56 2HG GLU 56 14.687 8.716 -13.755 460 H TRP 57 H TRP 57 13.989 12.123 -16.169 461 HA TRP 57 HA TRP 57 13.644 14.846 -15.537 462 1HB TRP 57 1HB TRP 57 14.847 13.750 -17.486 463 2HB TRP 57 2HB TRP 57 13.272 13.549 -18.252 464 HD1 TRP 57 HD1 TRP 57 12.964 15.362 -19.998 465 HE1 TRP 57 HE1 TRP 57 13.424 17.894 -20.138 466 HE3 TRP 57 HE3 TRP 57 15.218 16.097 -15.476 467 HZ2 TRP 57 HZ2 TRP 57 14.594 19.960 -18.542 468 HZ3 TRP 57 HZ3 TRP 57 15.995 18.355 -14.811 469 HH2 TRP 57 HH2 TRP 57 15.687 20.285 -16.336 470 H GLN 58 H GLN 58 11.398 12.754 -17.389 471 HA GLN 58 HA GLN 58 9.312 14.639 -17.728 472 1HB GLN 58 1HB GLN 58 9.805 12.153 -18.555 473 2HB GLN 58 2HB GLN 58 8.720 11.748 -17.225 474 1HG GLN 58 1HG GLN 58 6.983 13.191 -18.148 475 2HG GLN 58 2HG GLN 58 8.069 13.725 -19.431 476 1HE2 GLN 58 1HE2 GLN 58 5.885 12.653 -20.511 477 2HE2 GLN 58 2HE2 GLN 58 6.105 11.041 -20.998 478 H ARG 59 H ARG 59 10.010 12.479 -14.984 479 HA ARG 59 HA ARG 59 7.583 12.802 -13.538 480 1HB ARG 59 1HB ARG 59 9.243 11.146 -12.956 481 2HB ARG 59 2HB ARG 59 10.469 12.390 -12.702 482 1HG ARG 59 1HG ARG 59 9.295 13.250 -10.773 483 2HG ARG 59 2HG ARG 59 7.914 12.199 -11.086 484 1HD ARG 59 1HD ARG 59 9.141 11.075 -9.375 485 2HD ARG 59 2HD ARG 59 9.619 10.244 -10.869 486 HE ARG 59 HE ARG 59 11.626 11.774 -10.911 487 1HH1 ARG 59 1HH1 ARG 59 11.842 9.867 -8.587 488 2HH1 ARG 59 2HH1 ARG 59 12.254 10.938 -7.289 489 1HH2 ARG 59 1HH2 ARG 59 11.289 13.800 -8.992 490 2HH2 ARG 59 2HH2 ARG 59 11.942 13.164 -7.519 491 H ASP 60 H ASP 60 10.648 14.634 -13.134 492 HA ASP 60 HA ASP 60 9.652 16.508 -11.236 493 1HB ASP 60 1HB ASP 60 12.042 15.885 -12.284 494 2HB ASP 60 2HB ASP 60 11.694 17.312 -13.260 495 H GLN 61 H GLN 61 9.332 16.360 -14.732 496 HA GLN 61 HA GLN 61 8.649 19.109 -15.214 497 1HB GLN 61 1HB GLN 61 8.127 16.456 -16.564 498 2HB GLN 61 2HB GLN 61 7.500 17.960 -17.243 499 1HG GLN 61 1HG GLN 61 9.906 18.853 -17.041 500 2HG GLN 61 2HG GLN 61 10.383 17.173 -16.793 501 1HE2 GLN 61 1HE2 GLN 61 10.995 16.177 -18.712 502 2HE2 GLN 61 2HE2 GLN 61 10.355 16.527 -20.245 503 H PHE 62 H PHE 62 6.530 16.233 -14.855 504 HA PHE 62 HA PHE 62 4.040 17.568 -14.862 505 1HB PHE 62 1HB PHE 62 4.063 15.210 -15.005 506 2HB PHE 62 2HB PHE 62 5.139 15.049 -13.618 507 HD1 PHE 62 HD1 PHE 62 1.705 15.186 -14.727 508 HD2 PHE 62 HD2 PHE 62 4.260 15.682 -11.309 509 HE1 PHE 62 HE1 PHE 62 -0.255 14.942 -13.225 510 HE2 PHE 62 HE2 PHE 62 2.301 15.440 -9.807 511 HZ PHE 62 HZ PHE 62 0.044 15.070 -10.765 512 H LEU 63 H LEU 63 6.293 16.936 -12.173 513 HA LEU 63 HA LEU 63 4.670 17.857 -10.027 514 1HB LEU 63 1HB LEU 63 7.632 17.756 -10.604 515 2HB LEU 63 2HB LEU 63 7.028 18.362 -9.062 516 HG LEU 63 HG LEU 63 5.939 15.763 -10.051 517 1HD1 LEU 63 1HD1 LEU 63 8.077 14.997 -10.333 518 2HD1 LEU 63 2HD1 LEU 63 8.037 14.891 -8.572 519 3HD1 LEU 63 3HD1 LEU 63 8.777 16.288 -9.356 520 1HD2 LEU 63 1HD2 LEU 63 5.566 17.239 -7.804 521 2HD2 LEU 63 2HD2 LEU 63 6.894 16.206 -7.274 522 3HD2 LEU 63 3HD2 LEU 63 5.390 15.484 -7.845 523 H SER 64 H SER 64 6.349 19.615 -12.542 524 HA SER 64 HA SER 64 6.078 22.195 -11.099 525 1HB SER 64 1HB SER 64 8.092 22.218 -12.203 526 2HB SER 64 2HB SER 64 7.547 21.072 -13.424 527 HG SER 64 HG SER 64 6.534 22.708 -14.496 528 H GLN 65 H GLN 65 4.437 20.292 -13.489 529 HA GLN 65 HA GLN 65 2.961 22.623 -14.583 530 1HB GLN 65 1HB GLN 65 2.635 19.664 -15.155 531 2HB GLN 65 2HB GLN 65 2.163 21.013 -16.188 532 1HG GLN 65 1HG GLN 65 4.976 21.182 -15.492 533 2HG GLN 65 2HG GLN 65 4.605 19.635 -16.254 534 1HE2 GLN 65 1HE2 GLN 65 4.774 19.728 -18.491 535 2HE2 GLN 65 2HE2 GLN 65 4.460 21.098 -19.440 536 H VAL 66 H VAL 66 2.699 20.440 -12.001 537 HA VAL 66 HA VAL 66 -0.200 21.109 -11.693 538 HB VAL 66 HB VAL 66 -0.536 18.767 -10.930 539 1HG1 VAL 66 1HG1 VAL 66 -0.933 19.309 -13.292 540 2HG1 VAL 66 2HG1 VAL 66 -0.254 17.688 -13.149 541 3HG1 VAL 66 3HG1 VAL 66 0.770 19.031 -13.656 542 1HG2 VAL 66 1HG2 VAL 66 2.340 18.828 -10.913 543 2HG2 VAL 66 2HG2 VAL 66 1.797 17.540 -11.989 544 3HG2 VAL 66 3HG2 VAL 66 1.266 17.567 -10.308 545 H LYS 67 H LYS 67 -0.639 21.858 -9.644 546 HA LYS 67 HA LYS 67 1.505 21.542 -7.571 547 1HB LYS 67 1HB LYS 67 0.168 23.639 -6.664 548 2HB LYS 67 2HB LYS 67 1.317 23.831 -7.987 549 1HG LYS 67 1HG LYS 67 -0.502 23.684 -9.624 550 2HG LYS 67 2HG LYS 67 -1.668 23.412 -8.329 551 1HD LYS 67 1HD LYS 67 -1.763 25.615 -7.809 552 2HD LYS 67 2HD LYS 67 -0.012 25.800 -7.912 553 1HE LYS 67 1HE LYS 67 -0.789 25.378 -10.564 554 2HE LYS 67 2HE LYS 67 -2.041 26.452 -9.907 555 1HZ LYS 67 1HZ LYS 67 0.901 26.836 -9.714 556 2HZ LYS 67 2HZ LYS 67 -0.250 27.810 -8.933 557 3HZ LYS 67 3HZ LYS 67 -0.177 27.772 -10.630 558 H ILE 68 H ILE 68 0.818 19.756 -6.399 559 HA ILE 68 HA ILE 68 -2.028 19.369 -5.742 560 HB ILE 68 HB ILE 68 0.419 17.845 -4.807 561 1HG1 ILE 68 1HG1 ILE 68 -1.113 17.520 -7.408 562 2HG1 ILE 68 2HG1 ILE 68 0.521 18.167 -7.265 563 1HG2 ILE 68 1HG2 ILE 68 -1.157 15.940 -4.830 564 2HG2 ILE 68 2HG2 ILE 68 -2.447 17.019 -5.359 565 3HG2 ILE 68 3HG2 ILE 68 -1.720 17.225 -3.764 566 1HD1 ILE 68 1HD1 ILE 68 0.959 15.902 -5.965 567 2HD1 ILE 68 2HD1 ILE 68 0.995 15.944 -7.728 568 3HD1 ILE 68 3HD1 ILE 68 -0.441 15.356 -6.889 569 HA PRO 69 HA PRO 69 -1.967 21.797 -2.030 570 1HB PRO 69 1HB PRO 69 -3.522 20.172 -0.459 571 2HB PRO 69 2HB PRO 69 -4.192 21.273 -1.682 572 1HG PRO 69 1HG PRO 69 -3.653 18.344 -1.872 573 2HG PRO 69 2HG PRO 69 -5.060 19.269 -2.426 574 1HD PRO 69 1HD PRO 69 -3.139 18.480 -4.122 575 2HD PRO 69 2HD PRO 69 -3.986 20.027 -4.323 576 H LYS 70 H LYS 70 -1.137 21.502 0.211 577 HA LYS 70 HA LYS 70 1.162 19.730 0.286 578 1HB LYS 70 1HB LYS 70 -0.186 21.649 2.190 579 2HB LYS 70 2HB LYS 70 1.255 20.743 2.653 580 1HG LYS 70 1HG LYS 70 2.583 21.781 0.995 581 2HG LYS 70 2HG LYS 70 1.173 22.353 0.104 582 1HD LYS 70 1HD LYS 70 0.926 24.188 1.425 583 2HD LYS 70 2HD LYS 70 1.325 23.299 2.895 584 1HE LYS 70 1HE LYS 70 3.741 23.292 1.571 585 2HE LYS 70 2HE LYS 70 3.084 24.886 1.148 586 1HZ LYS 70 1HZ LYS 70 2.382 24.828 3.664 587 2HZ LYS 70 2HZ LYS 70 3.929 25.353 3.201 588 3HZ LYS 70 3HZ LYS 70 3.704 23.774 3.788 589 H THR 71 H THR 71 -2.028 18.985 0.713 590 HA THR 71 HA THR 71 -1.779 17.318 3.128 591 HB THR 71 HB THR 71 -4.030 17.048 1.190 592 HG1 THR 71 HG1 THR 71 -4.640 19.182 2.427 593 1HG2 THR 71 1HG2 THR 71 -3.747 17.455 4.175 594 2HG2 THR 71 2HG2 THR 71 -4.232 15.981 3.335 595 3HG2 THR 71 3HG2 THR 71 -5.304 17.383 3.350 596 H ILE 72 H ILE 72 -1.470 16.972 -0.327 597 HA ILE 72 HA ILE 72 -1.517 14.002 -0.176 598 HB ILE 72 HB ILE 72 -1.204 15.957 -2.476 599 1HG1 ILE 72 1HG1 ILE 72 -3.617 14.354 -1.575 600 2HG1 ILE 72 2HG1 ILE 72 -3.374 16.062 -1.211 601 1HG2 ILE 72 1HG2 ILE 72 -0.903 13.086 -2.288 602 2HG2 ILE 72 2HG2 ILE 72 -0.673 14.133 -3.689 603 3HG2 ILE 72 3HG2 ILE 72 -2.273 13.487 -3.323 604 1HD1 ILE 72 1HD1 ILE 72 -3.870 16.717 -3.335 605 2HD1 ILE 72 2HD1 ILE 72 -4.687 15.156 -3.417 606 3HD1 ILE 72 3HD1 ILE 72 -3.051 15.331 -4.056 607 H THR 73 H THR 73 0.426 13.172 0.554 608 HA THR 73 HA THR 73 2.978 14.487 -0.221 609 HB THR 73 HB THR 73 2.326 12.157 1.612 610 HG1 THR 73 HG1 THR 73 1.524 13.776 2.704 611 1HG2 THR 73 1HG2 THR 73 4.785 13.876 1.761 612 2HG2 THR 73 2HG2 THR 73 4.725 12.534 0.617 613 3HG2 THR 73 3HG2 THR 73 4.541 12.230 2.345 614 H VAL 74 H VAL 74 4.693 13.195 -1.207 615 HA VAL 74 HA VAL 74 3.808 10.624 -2.443 616 HB VAL 74 HB VAL 74 3.282 12.350 -4.046 617 1HG1 VAL 74 1HG1 VAL 74 4.420 14.294 -4.111 618 2HG1 VAL 74 2HG1 VAL 74 5.914 13.448 -4.516 619 3HG1 VAL 74 3HG1 VAL 74 5.460 13.678 -2.827 620 1HG2 VAL 74 1HG2 VAL 74 4.630 11.660 -5.912 621 2HG2 VAL 74 2HG2 VAL 74 4.524 10.268 -4.835 622 3HG2 VAL 74 3HG2 VAL 74 5.985 11.252 -4.861 623 H SER 75 H SER 75 5.380 9.141 -2.568 624 HA SER 75 HA SER 75 8.130 9.871 -1.650 625 1HB SER 75 1HB SER 75 6.251 7.731 -1.208 626 2HB SER 75 2HB SER 75 7.743 7.064 -1.867 627 HG SER 75 HG SER 75 7.511 8.827 0.354 628 H THR 76 H THR 76 9.792 8.167 -2.700 629 HA THR 76 HA THR 76 9.279 8.071 -5.655 630 HB THR 76 HB THR 76 11.591 8.812 -5.956 631 HG1 THR 76 HG1 THR 76 12.360 7.783 -4.027 632 1HG2 THR 76 1HG2 THR 76 11.327 10.982 -4.345 633 2HG2 THR 76 2HG2 THR 76 9.672 10.374 -4.331 634 3HG2 THR 76 3HG2 THR 76 10.448 10.783 -5.860 635 H GLY 77 H GLY 77 10.380 6.304 -6.747 636 1HA GLY 77 1HA GLY 77 12.039 4.414 -5.334 637 2HA GLY 77 2HA GLY 77 10.381 3.822 -5.439 638 H PHE 78 H PHE 78 11.651 2.123 -6.751 639 HA PHE 78 HA PHE 78 11.415 2.850 -9.628 640 1HB PHE 78 1HB PHE 78 13.862 1.697 -8.254 641 2HB PHE 78 2HB PHE 78 13.671 1.809 -10.003 642 HD1 PHE 78 HD1 PHE 78 15.093 3.390 -7.264 643 HD2 PHE 78 HD2 PHE 78 12.767 4.276 -10.764 644 HE1 PHE 78 HE1 PHE 78 15.891 5.738 -7.198 645 HE2 PHE 78 HE2 PHE 78 13.563 6.626 -10.699 646 HZ PHE 78 HZ PHE 78 15.125 7.356 -8.915 647 H MET 79 H MET 79 11.008 1.002 -10.957 648 HA MET 79 HA MET 79 10.548 -1.563 -9.468 649 1HB MET 79 1HB MET 79 8.752 0.201 -10.802 650 2HB MET 79 2HB MET 79 8.857 -1.268 -11.772 651 1HG MET 79 1HG MET 79 8.532 -2.563 -9.589 652 2HG MET 79 2HG MET 79 8.086 -1.020 -8.859 653 1HE MET 79 1HE MET 79 5.180 -0.179 -9.161 654 2HE MET 79 2HE MET 79 4.727 -1.841 -8.793 655 3HE MET 79 3HE MET 79 6.226 -1.162 -8.141 656 H SER 80 H SER 80 10.532 -3.480 -11.022 657 HA SER 80 HA SER 80 12.364 -3.023 -13.353 658 1HB SER 80 1HB SER 80 13.666 -3.877 -11.509 659 2HB SER 80 2HB SER 80 12.449 -5.097 -11.144 660 HG SER 80 HG SER 80 12.895 -5.992 -13.226 661 H ILE 81 H ILE 81 10.884 -3.399 -15.013 662 HA ILE 81 HA ILE 81 8.958 -5.631 -14.825 663 HB ILE 81 HB ILE 81 8.527 -3.306 -15.777 664 1HG1 ILE 81 1HG1 ILE 81 8.076 -5.744 -17.528 665 2HG1 ILE 81 2HG1 ILE 81 7.000 -5.139 -16.268 666 1HG2 ILE 81 1HG2 ILE 81 10.852 -3.616 -17.082 667 2HG2 ILE 81 2HG2 ILE 81 9.558 -2.595 -17.710 668 3HG2 ILE 81 3HG2 ILE 81 9.765 -4.234 -18.327 669 1HD1 ILE 81 1HD1 ILE 81 7.556 -4.005 -18.988 670 2HD1 ILE 81 2HD1 ILE 81 7.098 -2.909 -17.684 671 3HD1 ILE 81 3HD1 ILE 81 6.013 -4.215 -18.160 672 1H MET 1 1H MET 1 14.827 -2.045 2.345 673 2H MET 1 2H MET 1 15.448 -0.503 1.992 674 3H MET 1 3H MET 1 15.926 -1.846 1.068 675 HA MET 1 HA MET 1 13.587 -0.181 0.806 676 1HB MET 1 1HB MET 1 15.230 -2.136 -0.820 677 2HB MET 1 2HB MET 1 13.819 -1.313 -1.487 678 1HG MET 1 1HG MET 1 14.895 0.686 -1.629 679 2HG MET 1 2HG MET 1 15.717 0.459 -0.084 680 1HE MET 1 1HE MET 1 15.565 -1.983 -3.135 681 2HE MET 1 2HE MET 1 15.549 -0.361 -3.823 682 3HE MET 1 3HE MET 1 16.931 -1.429 -4.100 683 H THR 2 H THR 2 11.497 -1.020 0.175 684 HA THR 2 HA THR 2 10.886 -3.677 1.386 685 HB THR 2 HB THR 2 9.676 -1.712 2.199 686 HG1 THR 2 HG1 THR 2 8.419 -3.719 0.783 687 1HG2 THR 2 1HG2 THR 2 9.715 -1.031 -0.601 688 2HG2 THR 2 2HG2 THR 2 9.294 -0.016 0.778 689 3HG2 THR 2 3HG2 THR 2 8.056 -1.001 -0.003 690 HA PRO 3 HA PRO 3 10.957 -5.014 -2.946 691 1HB PRO 3 1HB PRO 3 10.097 -7.553 -2.406 692 2HB PRO 3 2HB PRO 3 11.791 -7.051 -2.232 693 1HG PRO 3 1HG PRO 3 9.711 -7.442 -0.157 694 2HG PRO 3 2HG PRO 3 11.449 -7.760 -0.089 695 1HD PRO 3 1HD PRO 3 10.218 -5.570 1.027 696 2HD PRO 3 2HD PRO 3 11.930 -5.641 0.576 697 H ILE 4 H ILE 4 9.171 -5.621 -4.393 698 HA ILE 4 HA ILE 4 6.441 -5.564 -3.187 699 HB ILE 4 HB ILE 4 5.825 -3.774 -4.792 700 1HG1 ILE 4 1HG1 ILE 4 8.189 -2.669 -5.642 701 2HG1 ILE 4 2HG1 ILE 4 8.546 -4.394 -5.758 702 1HG2 ILE 4 1HG2 ILE 4 6.678 -3.229 -2.493 703 2HG2 ILE 4 2HG2 ILE 4 6.985 -1.955 -3.672 704 3HG2 ILE 4 3HG2 ILE 4 8.288 -3.036 -3.183 705 1HD1 ILE 4 1HD1 ILE 4 7.388 -4.451 -7.686 706 2HD1 ILE 4 2HD1 ILE 4 6.878 -2.776 -7.475 707 3HD1 ILE 4 3HD1 ILE 4 5.929 -4.083 -6.767 708 H VAL 5 H VAL 5 5.419 -7.322 -4.044 709 HA VAL 5 HA VAL 5 6.287 -8.402 -6.666 710 HB VAL 5 HB VAL 5 5.157 -9.353 -4.156 711 1HG1 VAL 5 1HG1 VAL 5 3.743 -11.148 -5.182 712 2HG1 VAL 5 2HG1 VAL 5 3.857 -10.303 -6.727 713 3HG1 VAL 5 3HG1 VAL 5 3.051 -9.535 -5.359 714 1HG2 VAL 5 1HG2 VAL 5 7.008 -10.569 -4.657 715 2HG2 VAL 5 2HG2 VAL 5 6.854 -10.257 -6.387 716 3HG2 VAL 5 3HG2 VAL 5 5.910 -11.544 -5.635 717 H HIS 6 H HIS 6 5.017 -8.273 -8.495 718 HA HIS 6 HA HIS 6 2.416 -6.814 -8.260 719 1HB HIS 6 1HB HIS 6 4.712 -6.820 -10.047 720 2HB HIS 6 2HB HIS 6 3.213 -7.055 -10.946 721 HD1 HIS 6 HD1 HIS 6 3.195 -4.652 -11.911 722 HD2 HIS 6 HD2 HIS 6 3.218 -4.771 -7.743 723 HE1 HIS 6 HE1 HIS 6 2.679 -2.301 -11.124 724 H LEU 7 H LEU 7 0.526 -7.842 -8.948 725 HA LEU 7 HA LEU 7 0.823 -10.556 -10.184 726 1HB LEU 7 1HB LEU 7 -0.057 -9.847 -7.608 727 2HB LEU 7 2HB LEU 7 -1.523 -10.236 -8.508 728 HG LEU 7 HG LEU 7 -0.084 -12.296 -9.334 729 1HD1 LEU 7 1HD1 LEU 7 1.929 -12.448 -8.337 730 2HD1 LEU 7 2HD1 LEU 7 1.092 -12.715 -6.808 731 3HD1 LEU 7 3HD1 LEU 7 1.561 -11.082 -7.284 732 1HD2 LEU 7 1HD2 LEU 7 -0.987 -12.503 -6.485 733 2HD2 LEU 7 2HD2 LEU 7 -1.311 -13.584 -7.841 734 3HD2 LEU 7 3HD2 LEU 7 -2.175 -12.053 -7.709 735 H LYS 8 H LYS 8 -0.403 -10.811 -12.022 736 HA LYS 8 HA LYS 8 -2.824 -9.094 -12.380 737 1HB LYS 8 1HB LYS 8 -1.032 -7.907 -13.475 738 2HB LYS 8 2HB LYS 8 -0.433 -9.391 -14.219 739 1HG LYS 8 1HG LYS 8 -2.404 -9.573 -15.606 740 2HG LYS 8 2HG LYS 8 -3.179 -8.233 -14.761 741 1HD LYS 8 1HD LYS 8 -2.324 -6.944 -16.422 742 2HD LYS 8 2HD LYS 8 -0.796 -7.105 -15.554 743 1HE LYS 8 1HE LYS 8 -0.565 -7.711 -17.967 744 2HE LYS 8 2HE LYS 8 -0.232 -9.099 -16.911 745 1HZ LYS 8 1HZ LYS 8 -3.024 -8.749 -17.499 746 2HZ LYS 8 2HZ LYS 8 -2.067 -10.150 -17.584 747 3HZ LYS 8 3HZ LYS 8 -2.096 -9.057 -18.884 748 H GLY 9 H GLY 9 -4.152 -9.935 -14.278 749 1HA GLY 9 1HA GLY 9 -4.021 -12.112 -15.816 750 2HA GLY 9 2HA GLY 9 -4.099 -12.900 -14.240 751 H ASP 10 H ASP 10 -6.155 -13.837 -14.735 752 HA ASP 10 HA ASP 10 -8.444 -12.361 -15.626 753 1HB ASP 10 1HB ASP 10 -7.802 -14.987 -14.379 754 2HB ASP 10 2HB ASP 10 -9.483 -14.460 -14.277 755 H ALA 11 H ALA 11 -9.691 -10.921 -14.507 756 HA ALA 11 HA ALA 11 -9.186 -9.930 -11.939 757 1HB ALA 11 1HB ALA 11 -11.959 -10.188 -13.107 758 2HB ALA 11 2HB ALA 11 -11.272 -8.836 -12.209 759 3HB ALA 11 3HB ALA 11 -10.746 -9.155 -13.862 760 H ASN 12 H ASN 12 -12.041 -11.981 -12.624 761 HA ASN 12 HA ASN 12 -12.743 -12.675 -10.031 762 1HB ASN 12 1HB ASN 12 -13.663 -14.739 -11.098 763 2HB ASN 12 2HB ASN 12 -13.987 -13.291 -12.052 764 1HD2 ASN 12 1HD2 ASN 12 -13.050 -13.154 -14.152 765 2HD2 ASN 12 2HD2 ASN 12 -12.079 -14.375 -14.820 766 H THR 13 H THR 13 -10.291 -14.297 -12.064 767 HA THR 13 HA THR 13 -9.582 -16.389 -10.286 768 HB THR 13 HB THR 13 -8.024 -14.766 -12.320 769 HG1 THR 13 HG1 THR 13 -9.886 -16.145 -12.883 770 1HG2 THR 13 1HG2 THR 13 -6.775 -17.202 -12.166 771 2HG2 THR 13 2HG2 THR 13 -7.160 -16.891 -10.474 772 3HG2 THR 13 3HG2 THR 13 -6.195 -15.730 -11.387 773 H LEU 14 H LEU 14 -9.036 -12.981 -10.048 774 HA LEU 14 HA LEU 14 -6.774 -13.261 -8.155 775 1HB LEU 14 1HB LEU 14 -8.321 -10.946 -9.355 776 2HB LEU 14 2HB LEU 14 -6.991 -10.731 -8.216 777 HG LEU 14 HG LEU 14 -6.580 -12.454 -10.640 778 1HD1 LEU 14 1HD1 LEU 14 -6.780 -9.456 -10.541 779 2HD1 LEU 14 2HD1 LEU 14 -7.365 -10.567 -11.780 780 3HD1 LEU 14 3HD1 LEU 14 -5.640 -10.222 -11.646 781 1HD2 LEU 14 1HD2 LEU 14 -4.682 -12.536 -9.320 782 2HD2 LEU 14 2HD2 LEU 14 -4.954 -10.927 -8.649 783 3HD2 LEU 14 3HD2 LEU 14 -4.299 -11.105 -10.277 784 H LYS 15 H LYS 15 -10.236 -12.585 -8.143 785 HA LYS 15 HA LYS 15 -10.533 -11.465 -5.551 786 1HB LYS 15 1HB LYS 15 -12.199 -13.133 -7.420 787 2HB LYS 15 2HB LYS 15 -12.830 -12.716 -5.827 788 1HG LYS 15 1HG LYS 15 -11.650 -10.592 -7.595 789 2HG LYS 15 2HG LYS 15 -13.320 -11.111 -7.824 790 1HD LYS 15 1HD LYS 15 -13.905 -10.503 -5.570 791 2HD LYS 15 2HD LYS 15 -12.215 -10.223 -5.148 792 1HE LYS 15 1HE LYS 15 -12.092 -8.251 -6.468 793 2HE LYS 15 2HE LYS 15 -13.582 -8.652 -7.346 794 1HZ LYS 15 1HZ LYS 15 -13.656 -8.446 -4.416 795 2HZ LYS 15 2HZ LYS 15 -14.894 -8.172 -5.546 796 3HZ LYS 15 3HZ LYS 15 -13.666 -7.018 -5.331 797 H CYS 16 H CYS 16 -10.436 -14.867 -6.591 798 HA CYS 16 HA CYS 16 -10.964 -15.993 -3.985 799 1HB CYS 16 1HB CYS 16 -11.355 -17.245 -6.005 800 2HB CYS 16 2HB CYS 16 -9.692 -17.009 -6.540 801 HG CYS 16 HG CYS 16 -10.079 -19.411 -5.353 802 H LEU 17 H LEU 17 -7.973 -15.155 -5.723 803 HA LEU 17 HA LEU 17 -6.092 -16.420 -4.009 804 1HB LEU 17 1HB LEU 17 -5.896 -13.782 -5.499 805 2HB LEU 17 2HB LEU 17 -4.537 -14.776 -4.977 806 HG LEU 17 HG LEU 17 -6.700 -15.802 -6.829 807 1HD1 LEU 17 1HD1 LEU 17 -4.976 -13.776 -7.479 808 2HD1 LEU 17 2HD1 LEU 17 -5.631 -14.934 -8.637 809 3HD1 LEU 17 3HD1 LEU 17 -4.035 -15.196 -7.934 810 1HD2 LEU 17 1HD2 LEU 17 -4.007 -16.768 -5.875 811 2HD2 LEU 17 2HD2 LEU 17 -4.681 -17.342 -7.402 812 3HD2 LEU 17 3HD2 LEU 17 -5.545 -17.632 -5.892 813 H ARG 18 H ARG 18 -7.223 -13.020 -3.917 814 HA ARG 18 HA ARG 18 -5.890 -12.075 -1.671 815 1HB ARG 18 1HB ARG 18 -7.532 -10.913 -3.220 816 2HB ARG 18 2HB ARG 18 -8.830 -11.633 -2.265 817 1HG ARG 18 1HG ARG 18 -8.178 -10.454 -0.299 818 2HG ARG 18 2HG ARG 18 -6.626 -9.995 -1.001 819 1HD ARG 18 1HD ARG 18 -8.188 -8.079 -1.046 820 2HD ARG 18 2HD ARG 18 -7.842 -8.618 -2.702 821 HE ARG 18 HE ARG 18 -10.107 -10.033 -1.575 822 1HH1 ARG 18 1HH1 ARG 18 -9.136 -8.094 -4.082 823 2HH1 ARG 18 2HH1 ARG 18 -10.644 -7.268 -4.286 824 1HH2 ARG 18 1HH2 ARG 18 -12.039 -8.539 -1.378 825 2HH2 ARG 18 2HH2 ARG 18 -12.287 -7.519 -2.755 826 H TYR 19 H TYR 19 -8.641 -14.295 -1.757 827 HA TYR 19 HA TYR 19 -9.335 -14.187 1.024 828 1HB TYR 19 1HB TYR 19 -10.647 -15.153 -0.900 829 2HB TYR 19 2HB TYR 19 -9.519 -16.508 -0.921 830 HD1 TYR 19 HD1 TYR 19 -12.367 -14.989 0.761 831 HD2 TYR 19 HD2 TYR 19 -9.320 -18.002 1.083 832 HE1 TYR 19 HE1 TYR 19 -13.649 -16.092 2.573 833 HE2 TYR 19 HE2 TYR 19 -10.603 -19.104 2.896 834 HH TYR 19 HH TYR 19 -13.050 -19.202 3.616 835 H ARG 20 H ARG 20 -6.824 -15.922 -0.747 836 HA ARG 20 HA ARG 20 -6.152 -17.805 1.339 837 1HB ARG 20 1HB ARG 20 -4.581 -16.623 -0.976 838 2HB ARG 20 2HB ARG 20 -4.088 -18.041 -0.050 839 1HG ARG 20 1HG ARG 20 -6.356 -19.053 -0.660 840 2HG ARG 20 2HG ARG 20 -6.517 -17.736 -1.822 841 1HD ARG 20 1HD ARG 20 -4.793 -18.535 -3.173 842 2HD ARG 20 2HD ARG 20 -3.993 -19.371 -1.827 843 HE ARG 20 HE ARG 20 -6.664 -20.407 -2.388 844 1HH1 ARG 20 1HH1 ARG 20 -3.517 -20.323 -3.736 845 2HH1 ARG 20 2HH1 ARG 20 -3.471 -22.017 -4.098 846 1HH2 ARG 20 1HH2 ARG 20 -6.530 -22.690 -2.609 847 2HH2 ARG 20 2HH2 ARG 20 -5.178 -23.357 -3.461 848 H PHE 21 H PHE 21 -5.447 -14.434 0.811 849 HA PHE 21 HA PHE 21 -3.032 -14.215 2.358 850 1HB PHE 21 1HB PHE 21 -5.289 -12.322 1.640 851 2HB PHE 21 2HB PHE 21 -3.828 -11.791 2.471 852 HD1 PHE 21 HD1 PHE 21 -2.965 -14.513 0.416 853 HD2 PHE 21 HD2 PHE 21 -3.917 -10.326 0.225 854 HE1 PHE 21 HE1 PHE 21 -1.790 -14.344 -1.762 855 HE2 PHE 21 HE2 PHE 21 -2.741 -10.159 -1.952 856 HZ PHE 21 HZ PHE 21 -1.678 -12.167 -2.946 857 H LYS 22 H LYS 22 -6.480 -14.094 3.195 858 HA LYS 22 HA LYS 22 -6.208 -13.204 5.901 859 1HB LYS 22 1HB LYS 22 -8.275 -15.079 4.708 860 2HB LYS 22 2HB LYS 22 -8.495 -13.998 6.083 861 1HG LYS 22 1HG LYS 22 -8.133 -13.260 3.174 862 2HG LYS 22 2HG LYS 22 -9.477 -12.856 4.242 863 1HD LYS 22 1HD LYS 22 -8.041 -11.398 5.570 864 2HD LYS 22 2HD LYS 22 -6.637 -11.862 4.607 865 1HE LYS 22 1HE LYS 22 -9.086 -10.634 3.319 866 2HE LYS 22 2HE LYS 22 -7.768 -9.635 3.966 867 1HZ LYS 22 1HZ LYS 22 -7.120 -11.950 2.275 868 2HZ LYS 22 2HZ LYS 22 -6.250 -10.508 2.504 869 3HZ LYS 22 3HZ LYS 22 -7.644 -10.519 1.530 870 H LYS 23 H LYS 23 -5.991 -16.417 4.418 871 HA LYS 23 HA LYS 23 -5.951 -17.869 6.939 872 1HB LYS 23 1HB LYS 23 -5.028 -18.583 4.133 873 2HB LYS 23 2HB LYS 23 -5.303 -19.736 5.437 874 1HG LYS 23 1HG LYS 23 -7.440 -17.857 4.397 875 2HG LYS 23 2HG LYS 23 -7.236 -19.512 3.820 876 1HD LYS 23 1HD LYS 23 -7.272 -19.356 6.738 877 2HD LYS 23 2HD LYS 23 -8.756 -18.734 6.017 878 1HE LYS 23 1HE LYS 23 -7.724 -21.264 4.842 879 2HE LYS 23 2HE LYS 23 -8.373 -21.376 6.490 880 1HZ LYS 23 1HZ LYS 23 -10.281 -19.989 5.644 881 2HZ LYS 23 2HZ LYS 23 -10.222 -21.583 5.061 882 3HZ LYS 23 3HZ LYS 23 -9.716 -20.296 4.075 883 H HIS 24 H HIS 24 -3.697 -15.894 5.348 884 HA HIS 24 HA HIS 24 -1.512 -16.900 7.106 885 1HB HIS 24 1HB HIS 24 -1.386 -16.506 4.098 886 2HB HIS 24 2HB HIS 24 0.014 -16.838 5.118 887 HD1 HIS 24 HD1 HIS 24 -0.168 -19.162 6.546 888 HD2 HIS 24 HD2 HIS 24 -2.725 -18.786 3.275 889 HE1 HIS 24 HE1 HIS 24 -0.982 -21.497 6.002 890 H CYS 25 H CYS 25 -3.074 -14.550 7.418 891 HA CYS 25 HA CYS 25 -2.085 -12.182 6.226 892 1HB CYS 25 1HB CYS 25 -4.034 -12.801 7.934 893 2HB CYS 25 2HB CYS 25 -2.847 -12.257 9.119 894 HG CYS 25 HG CYS 25 -3.508 -10.371 6.730 895 H THR 26 H THR 26 -0.381 -14.345 8.251 896 HA THR 26 HA THR 26 1.377 -12.233 9.374 897 HB THR 26 HB THR 26 2.291 -14.117 10.656 898 HG1 THR 26 HG1 THR 26 1.793 -16.163 10.157 899 1HG2 THR 26 1HG2 THR 26 -0.268 -13.127 10.848 900 2HG2 THR 26 2HG2 THR 26 0.496 -14.180 12.039 901 3HG2 THR 26 3HG2 THR 26 -0.548 -14.866 10.795 902 H LEU 27 H LEU 27 1.174 -13.621 6.441 903 HA LEU 27 HA LEU 27 4.038 -14.328 6.118 904 1HB LEU 27 1HB LEU 27 1.473 -14.770 4.756 905 2HB LEU 27 2HB LEU 27 2.793 -14.409 3.642 906 HG LEU 27 HG LEU 27 2.859 -16.542 5.800 907 1HD1 LEU 27 1HD1 LEU 27 3.014 -17.099 2.862 908 2HD1 LEU 27 2HD1 LEU 27 1.432 -16.772 3.569 909 3HD1 LEU 27 3HD1 LEU 27 2.402 -18.119 4.164 910 1HD2 LEU 27 1HD2 LEU 27 5.080 -16.696 5.419 911 2HD2 LEU 27 2HD2 LEU 27 4.957 -15.166 4.551 912 3HD2 LEU 27 3HD2 LEU 27 4.840 -16.689 3.671 913 H TYR 28 H TYR 28 1.692 -12.098 4.564 914 HA TYR 28 HA TYR 28 3.943 -10.460 3.531 915 1HB TYR 28 1HB TYR 28 2.063 -9.332 2.318 916 2HB TYR 28 2HB TYR 28 2.100 -11.074 2.042 917 HD1 TYR 28 HD1 TYR 28 0.288 -12.467 2.696 918 HD2 TYR 28 HD2 TYR 28 0.470 -8.395 4.052 919 HE1 TYR 28 HE1 TYR 28 -2.023 -12.658 3.578 920 HE2 TYR 28 HE2 TYR 28 -1.840 -8.585 4.935 921 HH TYR 28 HH TYR 28 -3.712 -9.851 4.926 922 H THR 29 H THR 29 3.619 -7.990 3.783 923 HA THR 29 HA THR 29 2.951 -7.427 6.634 924 HB THR 29 HB THR 29 4.616 -6.109 4.484 925 HG1 THR 29 HG1 THR 29 6.241 -6.571 5.918 926 1HG2 THR 29 1HG2 THR 29 3.649 -4.998 7.112 927 2HG2 THR 29 2HG2 THR 29 3.659 -4.223 5.528 928 3HG2 THR 29 3HG2 THR 29 5.172 -4.466 6.402 929 H ALA 30 H ALA 30 2.112 -6.442 3.328 930 HA ALA 30 HA ALA 30 -0.385 -5.237 4.321 931 1HB ALA 30 1HB ALA 30 1.430 -3.458 2.721 932 2HB ALA 30 2HB ALA 30 0.154 -3.012 3.853 933 3HB ALA 30 3HB ALA 30 1.695 -3.619 4.456 934 H VAL 31 H VAL 31 -1.804 -6.120 2.871 935 HA VAL 31 HA VAL 31 -0.977 -6.626 0.071 936 HB VAL 31 HB VAL 31 -3.276 -7.704 0.046 937 1HG1 VAL 31 1HG1 VAL 31 -0.968 -8.422 1.747 938 2HG1 VAL 31 2HG1 VAL 31 -1.793 -9.370 0.508 939 3HG1 VAL 31 3HG1 VAL 31 -2.466 -9.268 2.134 940 1HG2 VAL 31 1HG2 VAL 31 -4.731 -7.332 1.734 941 2HG2 VAL 31 2HG2 VAL 31 -3.622 -6.092 2.321 942 3HG2 VAL 31 3HG2 VAL 31 -3.513 -7.739 2.943 943 H SER 32 H SER 32 -1.146 -4.850 -1.272 944 HA SER 32 HA SER 32 -2.859 -2.590 -0.780 945 1HB SER 32 1HB SER 32 -2.032 -3.109 -3.553 946 2HB SER 32 2HB SER 32 -1.640 -1.751 -2.505 947 HG SER 32 HG SER 32 0.199 -2.677 -2.148 948 H SER 33 H SER 33 -4.840 -2.025 -1.795 949 HA SER 33 HA SER 33 -6.711 -4.109 -2.336 950 1HB SER 33 1HB SER 33 -8.116 -2.327 -2.262 951 2HB SER 33 2HB SER 33 -6.684 -1.358 -1.930 952 HG SER 33 HG SER 33 -8.166 -0.904 -3.864 953 H THR 34 H THR 34 -7.765 -4.589 -4.414 954 HA THR 34 HA THR 34 -5.909 -5.059 -6.567 955 HB THR 34 HB THR 34 -8.943 -5.098 -6.457 956 HG1 THR 34 HG1 THR 34 -8.251 -6.512 -4.972 957 1HG2 THR 34 1HG2 THR 34 -7.568 -5.191 -8.724 958 2HG2 THR 34 2HG2 THR 34 -8.939 -6.266 -8.453 959 3HG2 THR 34 3HG2 THR 34 -7.294 -6.860 -8.223 960 H TRP 35 H TRP 35 -5.458 -3.803 -8.348 961 HA TRP 35 HA TRP 35 -7.273 -1.563 -9.076 962 1HB TRP 35 1HB TRP 35 -5.445 0.045 -8.939 963 2HB TRP 35 2HB TRP 35 -5.576 -0.785 -7.388 964 HD1 TRP 35 HD1 TRP 35 -3.626 -2.373 -6.663 965 HE1 TRP 35 HE1 TRP 35 -1.256 -2.789 -7.590 966 HE3 TRP 35 HE3 TRP 35 -4.029 -0.041 -11.188 967 HZ2 TRP 35 HZ2 TRP 35 0.268 -2.207 -9.943 968 HZ3 TRP 35 HZ3 TRP 35 -2.107 0.015 -12.751 969 HH2 TRP 35 HH2 TRP 35 0.039 -1.062 -12.135 970 H HIS 36 H HIS 36 -6.064 -0.440 -11.150 971 HA HIS 36 HA HIS 36 -4.531 -2.359 -12.769 972 1HB HIS 36 1HB HIS 36 -6.706 -3.339 -12.984 973 2HB HIS 36 2HB HIS 36 -7.467 -1.765 -13.204 974 HD1 HIS 36 HD1 HIS 36 -4.999 -4.060 -14.978 975 HD2 HIS 36 HD2 HIS 36 -7.654 -0.968 -15.858 976 HE1 HIS 36 HE1 HIS 36 -5.040 -3.845 -17.503 977 H TRP 37 H TRP 37 -4.374 -1.435 -15.113 978 HA TRP 37 HA TRP 37 -3.589 1.373 -14.918 979 1HB TRP 37 1HB TRP 37 -3.720 -0.617 -17.208 980 2HB TRP 37 2HB TRP 37 -2.921 0.952 -17.291 981 HD1 TRP 37 HD1 TRP 37 -2.138 -2.520 -16.672 982 HE1 TRP 37 HE1 TRP 37 0.075 -2.785 -15.378 983 HE3 TRP 37 HE3 TRP 37 -1.498 2.273 -15.027 984 HZ2 TRP 37 HZ2 TRP 37 1.880 -1.178 -13.848 985 HZ3 TRP 37 HZ3 TRP 37 0.477 2.878 -13.655 986 HH2 TRP 37 HH2 TRP 37 2.164 1.160 -13.064 987 H THR 38 H THR 38 -5.356 2.773 -14.799 988 HA THR 38 HA THR 38 -7.445 2.513 -16.940 989 HB THR 38 HB THR 38 -8.748 3.904 -15.148 990 HG1 THR 38 HG1 THR 38 -6.899 2.636 -13.446 991 1HG2 THR 38 1HG2 THR 38 -8.227 1.062 -15.450 992 2HG2 THR 38 2HG2 THR 38 -9.747 1.887 -15.102 993 3HG2 THR 38 3HG2 THR 38 -8.651 1.463 -13.785 994 H GLY 39 H GLY 39 -8.536 4.860 -17.164 995 1HA GLY 39 1HA GLY 39 -6.875 7.171 -16.775 996 2HA GLY 39 2HA GLY 39 -6.691 6.575 -18.425 997 H HIS 40 H HIS 40 -8.512 6.642 -19.837 998 HA HIS 40 HA HIS 40 -10.922 8.085 -18.807 999 1HB HIS 40 1HB HIS 40 -8.949 9.404 -20.035 1000 2HB HIS 40 2HB HIS 40 -9.760 8.786 -21.475 1001 HD1 HIS 40 HD1 HIS 40 -10.705 10.616 -18.256 1002 HD2 HIS 40 HD2 HIS 40 -11.905 10.346 -22.239 1003 HE1 HIS 40 HE1 HIS 40 -12.564 12.309 -18.560 1004 H ASN 41 H ASN 41 -9.651 6.831 -21.924 1005 HA ASN 41 HA ASN 41 -12.303 5.543 -22.397 1006 1HB ASN 41 1HB ASN 41 -9.942 6.185 -24.195 1007 2HB ASN 41 2HB ASN 41 -11.462 5.477 -24.745 1008 1HD2 ASN 41 1HD2 ASN 41 -13.486 6.866 -23.900 1009 2HD2 ASN 41 2HD2 ASN 41 -13.322 8.546 -24.089 1010 H VAL 42 H VAL 42 -12.132 3.552 -21.307 1011 HA VAL 42 HA VAL 42 -10.018 1.698 -22.338 1012 HB VAL 42 HB VAL 42 -9.842 0.838 -19.996 1013 1HG1 VAL 42 1HG1 VAL 42 -8.909 3.153 -19.082 1014 2HG1 VAL 42 2HG1 VAL 42 -9.195 3.662 -20.746 1015 3HG1 VAL 42 3HG1 VAL 42 -8.108 2.315 -20.411 1016 1HG2 VAL 42 1HG2 VAL 42 -10.781 2.576 -18.268 1017 2HG2 VAL 42 2HG2 VAL 42 -11.872 1.369 -18.949 1018 3HG2 VAL 42 3HG2 VAL 42 -11.878 3.016 -19.576 1019 H LYS 43 H LYS 43 -10.764 -0.418 -22.677 1020 HA LYS 43 HA LYS 43 -13.705 -0.785 -22.565 1021 1HB LYS 43 1HB LYS 43 -11.423 -2.384 -23.775 1022 2HB LYS 43 2HB LYS 43 -13.136 -2.746 -24.000 1023 1HG LYS 43 1HG LYS 43 -13.477 -0.522 -25.014 1024 2HG LYS 43 2HG LYS 43 -11.765 -0.157 -24.791 1025 1HD LYS 43 1HD LYS 43 -11.903 -0.896 -27.032 1026 2HD LYS 43 2HD LYS 43 -11.330 -2.313 -26.151 1027 1HE LYS 43 1HE LYS 43 -14.016 -2.676 -25.920 1028 2HE LYS 43 2HE LYS 43 -13.938 -1.864 -27.496 1029 1HZ LYS 43 1HZ LYS 43 -11.969 -3.430 -27.916 1030 2HZ LYS 43 2HZ LYS 43 -13.536 -4.078 -28.024 1031 3HZ LYS 43 3HZ LYS 43 -12.594 -4.350 -26.636 1032 H HIS 44 H HIS 44 -11.516 -3.503 -22.322 1033 HA HIS 44 HA HIS 44 -12.095 -3.861 -19.430 1034 1HB HIS 44 1HB HIS 44 -13.199 -5.975 -19.811 1035 2HB HIS 44 2HB HIS 44 -13.970 -4.792 -20.868 1036 HD1 HIS 44 HD1 HIS 44 -12.798 -4.708 -23.395 1037 HD2 HIS 44 HD2 HIS 44 -12.361 -8.215 -21.184 1038 HE1 HIS 44 HE1 HIS 44 -12.174 -6.524 -25.047 1039 H LYS 45 H LYS 45 -10.173 -4.476 -18.534 1040 HA LYS 45 HA LYS 45 -8.285 -6.096 -20.214 1041 1HB LYS 45 1HB LYS 45 -7.672 -4.116 -17.998 1042 2HB LYS 45 2HB LYS 45 -6.509 -4.869 -19.089 1043 1HG LYS 45 1HG LYS 45 -8.787 -3.105 -20.026 1044 2HG LYS 45 2HG LYS 45 -7.150 -2.517 -19.738 1045 1HD LYS 45 1HD LYS 45 -6.367 -4.357 -21.340 1046 2HD LYS 45 2HD LYS 45 -8.063 -4.542 -21.789 1047 1HE LYS 45 1HE LYS 45 -8.130 -2.094 -22.353 1048 2HE LYS 45 2HE LYS 45 -6.382 -2.025 -22.054 1049 1HZ LYS 45 1HZ LYS 45 -7.426 -4.162 -23.766 1050 2HZ LYS 45 2HZ LYS 45 -5.920 -3.378 -23.816 1051 3HZ LYS 45 3HZ LYS 45 -7.305 -2.605 -24.426 1052 H SER 46 H SER 46 -6.914 -5.807 -17.250 1053 HA SER 46 HA SER 46 -8.435 -8.015 -15.958 1054 1HB SER 46 1HB SER 46 -5.572 -8.525 -15.965 1055 2HB SER 46 2HB SER 46 -6.887 -9.574 -16.484 1056 HG SER 46 HG SER 46 -5.159 -8.434 -18.018 1057 H ALA 47 H ALA 47 -8.810 -6.995 -14.012 1058 HA ALA 47 HA ALA 47 -7.531 -4.989 -12.670 1059 1HB ALA 47 1HB ALA 47 -9.271 -7.175 -12.077 1060 2HB ALA 47 2HB ALA 47 -8.090 -7.064 -10.773 1061 3HB ALA 47 3HB ALA 47 -9.085 -5.667 -11.181 1062 H ILE 48 H ILE 48 -5.863 -4.923 -11.010 1063 HA ILE 48 HA ILE 48 -3.959 -7.217 -10.956 1064 HB ILE 48 HB ILE 48 -3.190 -4.345 -11.564 1065 1HG1 ILE 48 1HG1 ILE 48 -3.376 -6.701 -13.471 1066 2HG1 ILE 48 2HG1 ILE 48 -4.571 -5.404 -13.382 1067 1HG2 ILE 48 1HG2 ILE 48 -1.607 -6.895 -11.947 1068 2HG2 ILE 48 2HG2 ILE 48 -1.510 -5.925 -10.478 1069 3HG2 ILE 48 3HG2 ILE 48 -1.014 -5.237 -12.024 1070 1HD1 ILE 48 1HD1 ILE 48 -2.932 -4.979 -15.180 1071 2HD1 ILE 48 2HD1 ILE 48 -1.623 -5.041 -14.000 1072 3HD1 ILE 48 3HD1 ILE 48 -2.823 -3.751 -13.919 1073 H VAL 49 H VAL 49 -2.710 -7.265 -9.018 1074 HA VAL 49 HA VAL 49 -3.372 -5.146 -7.001 1075 HB VAL 49 HB VAL 49 -4.269 -7.759 -7.055 1076 1HG1 VAL 49 1HG1 VAL 49 -1.819 -8.386 -6.534 1077 2HG1 VAL 49 2HG1 VAL 49 -3.065 -9.072 -5.491 1078 3HG1 VAL 49 3HG1 VAL 49 -2.115 -7.693 -4.940 1079 1HG2 VAL 49 1HG2 VAL 49 -5.475 -6.603 -5.530 1080 2HG2 VAL 49 2HG2 VAL 49 -4.123 -5.536 -5.154 1081 3HG2 VAL 49 3HG2 VAL 49 -4.256 -7.105 -4.361 1082 H THR 50 H THR 50 -1.731 -5.566 -5.014 1083 HA THR 50 HA THR 50 0.988 -6.252 -6.026 1084 HB THR 50 HB THR 50 0.151 -3.607 -4.786 1085 HG1 THR 50 HG1 THR 50 0.712 -4.488 -7.388 1086 1HG2 THR 50 1HG2 THR 50 2.377 -2.992 -4.717 1087 2HG2 THR 50 2HG2 THR 50 2.830 -4.093 -6.018 1088 3HG2 THR 50 3HG2 THR 50 2.539 -4.719 -4.395 1089 H LEU 51 H LEU 51 2.490 -6.690 -4.251 1090 HA LEU 51 HA LEU 51 1.214 -6.833 -1.544 1091 1HB LEU 51 1HB LEU 51 2.720 -8.917 -3.144 1092 2HB LEU 51 2HB LEU 51 2.483 -9.063 -1.402 1093 HG LEU 51 HG LEU 51 0.116 -8.507 -3.163 1094 1HD1 LEU 51 1HD1 LEU 51 1.137 -10.404 -4.265 1095 2HD1 LEU 51 2HD1 LEU 51 -0.209 -11.005 -3.299 1096 3HD1 LEU 51 3HD1 LEU 51 1.445 -11.195 -2.720 1097 1HD2 LEU 51 1HD2 LEU 51 0.589 -8.982 -0.416 1098 2HD2 LEU 51 2HD2 LEU 51 -0.209 -10.430 -1.030 1099 3HD2 LEU 51 3HD2 LEU 51 -0.975 -8.852 -1.221 1100 H THR 52 H THR 52 2.477 -5.748 -0.095 1101 HA THR 52 HA THR 52 5.318 -5.179 -0.775 1102 HB THR 52 HB THR 52 4.201 -4.061 1.694 1103 HG1 THR 52 HG1 THR 52 2.622 -2.834 0.643 1104 1HG2 THR 52 1HG2 THR 52 6.186 -3.217 0.432 1105 2HG2 THR 52 2HG2 THR 52 4.955 -1.981 0.688 1106 3HG2 THR 52 3HG2 THR 52 5.108 -2.760 -0.887 1107 H TYR 53 H TYR 53 6.986 -6.156 0.342 1108 HA TYR 53 HA TYR 53 6.260 -7.824 2.731 1109 1HB TYR 53 1HB TYR 53 8.135 -8.189 0.399 1110 2HB TYR 53 2HB TYR 53 8.380 -9.093 1.892 1111 HD1 TYR 53 HD1 TYR 53 5.946 -8.391 -0.831 1112 HD2 TYR 53 HD2 TYR 53 6.987 -10.945 2.464 1113 HE1 TYR 53 HE1 TYR 53 4.189 -10.001 -1.524 1114 HE2 TYR 53 HE2 TYR 53 5.231 -12.554 1.772 1115 HH TYR 53 HH TYR 53 3.654 -12.358 -1.263 1116 H ASP 54 H ASP 54 7.855 -7.873 4.439 1117 HA ASP 54 HA ASP 54 9.350 -5.361 4.740 1118 1HB ASP 54 1HB ASP 54 8.013 -6.321 6.559 1119 2HB ASP 54 2HB ASP 54 8.959 -7.808 6.493 1120 H SER 55 H SER 55 10.036 -8.485 3.534 1121 HA SER 55 HA SER 55 12.898 -7.851 3.327 1122 1HB SER 55 1HB SER 55 11.754 -9.876 5.235 1123 2HB SER 55 2HB SER 55 13.346 -10.145 4.529 1124 HG SER 55 HG SER 55 12.447 -7.967 6.104 1125 H GLU 56 H GLU 56 14.028 -9.478 1.987 1126 HA GLU 56 HA GLU 56 12.391 -10.486 -0.173 1127 1HB GLU 56 1HB GLU 56 15.281 -10.940 0.639 1128 2HB GLU 56 2HB GLU 56 14.601 -11.379 -0.928 1129 1HG GLU 56 1HG GLU 56 13.995 -9.013 -1.323 1130 2HG GLU 56 2HG GLU 56 14.710 -8.580 0.231 1131 H TRP 57 H TRP 57 14.028 -12.005 2.603 1132 HA TRP 57 HA TRP 57 13.710 -14.727 1.958 1133 1HB TRP 57 1HB TRP 57 14.894 -13.625 3.914 1134 2HB TRP 57 2HB TRP 57 13.314 -13.442 4.676 1135 HD1 TRP 57 HD1 TRP 57 13.017 -15.261 6.416 1136 HE1 TRP 57 HE1 TRP 57 13.503 -17.789 6.553 1137 HE3 TRP 57 HE3 TRP 57 15.299 -15.962 1.902 1138 HZ2 TRP 57 HZ2 TRP 57 14.701 -19.838 4.955 1139 HZ3 TRP 57 HZ3 TRP 57 16.102 -18.210 1.234 1140 HH2 TRP 57 HH2 TRP 57 15.805 -20.147 2.754 1141 H GLN 58 H GLN 58 11.430 -12.666 3.803 1142 HA GLN 58 HA GLN 58 9.368 -14.582 4.125 1143 1HB GLN 58 1HB GLN 58 9.820 -12.093 4.967 1144 2HB GLN 58 2HB GLN 58 8.741 -11.697 3.629 1145 1HG GLN 58 1HG GLN 58 7.017 -13.177 4.527 1146 2HG GLN 58 2HG GLN 58 8.100 -13.688 5.823 1147 1HE2 GLN 58 1HE2 GLN 58 5.917 -12.680 6.915 1148 2HE2 GLN 58 2HE2 GLN 58 6.084 -11.060 7.393 1149 H ARG 59 H ARG 59 10.060 -12.402 1.398 1150 HA ARG 59 HA ARG 59 7.651 -12.744 -0.072 1151 1HB ARG 59 1HB ARG 59 9.296 -11.066 -0.628 1152 2HB ARG 59 2HB ARG 59 10.537 -12.293 -0.880 1153 1HG ARG 59 1HG ARG 59 9.392 -13.152 -2.826 1154 2HG ARG 59 2HG ARG 59 7.993 -12.123 -2.516 1155 1HD ARG 59 1HD ARG 59 9.215 -10.967 -4.207 1156 2HD ARG 59 2HD ARG 59 9.676 -10.142 -2.704 1157 HE ARG 59 HE ARG 59 11.703 -11.641 -2.664 1158 1HH1 ARG 59 1HH1 ARG 59 11.896 -9.724 -4.988 1159 2HH1 ARG 59 2HH1 ARG 59 12.331 -10.787 -6.285 1160 1HH2 ARG 59 1HH2 ARG 59 11.407 -13.667 -4.589 1161 2HH2 ARG 59 2HH2 ARG 59 12.055 -13.019 -6.058 1162 H ASP 60 H ASP 60 10.740 -14.537 -0.469 1163 HA ASP 60 HA ASP 60 9.775 -16.408 -2.385 1164 1HB ASP 60 1HB ASP 60 12.155 -15.768 -1.334 1165 2HB ASP 60 2HB ASP 60 11.819 -17.194 -0.349 1166 H GLN 61 H GLN 61 9.430 -16.282 1.107 1167 HA GLN 61 HA GLN 61 8.773 -19.039 1.572 1168 1HB GLN 61 1HB GLN 61 8.217 -16.399 2.930 1169 2HB GLN 61 2HB GLN 61 7.597 -17.910 3.595 1170 1HG GLN 61 1HG GLN 61 10.014 -18.781 3.404 1171 2HG GLN 61 2HG GLN 61 10.474 -17.093 3.180 1172 1HE2 GLN 61 1HE2 GLN 61 11.019 -16.078 5.107 1173 2HE2 GLN 61 2HE2 GLN 61 10.383 -16.467 6.632 1174 H PHE 62 H PHE 62 6.623 -16.184 1.208 1175 HA PHE 62 HA PHE 62 4.149 -17.549 1.194 1176 1HB PHE 62 1HB PHE 62 4.139 -15.192 1.348 1177 2HB PHE 62 2HB PHE 62 5.226 -15.010 -0.028 1178 HD1 PHE 62 HD1 PHE 62 1.786 -15.193 1.050 1179 HD2 PHE 62 HD2 PHE 62 4.374 -15.648 -2.350 1180 HE1 PHE 62 HE1 PHE 62 -0.165 -14.969 -0.466 1181 HE2 PHE 62 HE2 PHE 62 2.423 -15.423 -3.866 1182 HZ PHE 62 HZ PHE 62 0.152 -15.084 -2.923 1183 H LEU 63 H LEU 63 6.409 -16.871 -1.478 1184 HA LEU 63 HA LEU 63 4.814 -17.799 -3.641 1185 1HB LEU 63 1HB LEU 63 7.772 -17.665 -3.044 1186 2HB LEU 63 2HB LEU 63 7.185 -18.272 -4.593 1187 HG LEU 63 HG LEU 63 6.060 -15.689 -3.602 1188 1HD1 LEU 63 1HD1 LEU 63 8.187 -14.901 -3.298 1189 2HD1 LEU 63 2HD1 LEU 63 8.163 -14.789 -5.057 1190 3HD1 LEU 63 3HD1 LEU 63 8.909 -16.180 -4.273 1191 1HD2 LEU 63 1HD2 LEU 63 5.748 -17.170 -5.869 1192 2HD2 LEU 63 2HD2 LEU 63 7.045 -16.084 -6.370 1193 3HD2 LEU 63 3HD2 LEU 63 5.509 -15.424 -5.806 1194 H SER 64 H SER 64 6.500 -19.549 -1.125 1195 HA SER 64 HA SER 64 6.284 -22.126 -2.582 1196 1HB SER 64 1HB SER 64 8.282 -22.121 -1.451 1197 2HB SER 64 2HB SER 64 7.699 -20.994 -0.228 1198 HG SER 64 HG SER 64 6.725 -22.649 0.832 1199 H GLN 65 H GLN 65 4.582 -20.266 -0.201 1200 HA GLN 65 HA GLN 65 3.126 -22.629 0.853 1201 1HB GLN 65 1HB GLN 65 2.768 -19.682 1.467 1202 2HB GLN 65 2HB GLN 65 2.302 -21.051 2.477 1203 1HG GLN 65 1HG GLN 65 5.118 -21.196 1.800 1204 2HG GLN 65 2HG GLN 65 4.738 -19.652 2.563 1205 1HE2 GLN 65 1HE2 GLN 65 4.848 -19.735 4.807 1206 2HE2 GLN 65 2HE2 GLN 65 4.554 -21.115 5.750 1207 H VAL 66 H VAL 66 2.854 -20.434 -1.711 1208 HA VAL 66 HA VAL 66 -0.039 -21.124 -2.036 1209 HB VAL 66 HB VAL 66 -0.397 -18.780 -2.779 1210 1HG1 VAL 66 1HG1 VAL 66 -0.786 -19.333 -0.421 1211 2HG1 VAL 66 2HG1 VAL 66 -0.111 -17.709 -0.556 1212 3HG1 VAL 66 3HG1 VAL 66 0.917 -19.052 -0.057 1213 1HG2 VAL 66 1HG2 VAL 66 2.485 -18.815 -2.792 1214 2HG2 VAL 66 2HG2 VAL 66 1.921 -17.527 -1.727 1215 3HG2 VAL 66 3HG2 VAL 66 1.398 -17.573 -3.411 1216 H LYS 67 H LYS 67 -0.451 -21.872 -4.090 1217 HA LYS 67 HA LYS 67 1.707 -21.520 -6.141 1218 1HB LYS 67 1HB LYS 67 0.377 -23.617 -7.077 1219 2HB LYS 67 2HB LYS 67 1.533 -23.815 -5.763 1220 1HG LYS 67 1HG LYS 67 -0.277 -23.700 -4.116 1221 2HG LYS 67 2HG LYS 67 -1.452 -23.418 -5.402 1222 1HD LYS 67 1HD LYS 67 -1.528 -25.612 -5.965 1223 2HD LYS 67 2HD LYS 67 0.223 -25.790 -5.848 1224 1HE LYS 67 1HE LYS 67 -0.597 -25.404 -3.197 1225 2HE LYS 67 2HE LYS 67 -1.813 -26.497 -3.890 1226 1HZ LYS 67 1HZ LYS 67 1.138 -26.814 -4.060 1227 2HZ LYS 67 2HZ LYS 67 0.009 -27.812 -4.843 1228 3HZ LYS 67 3HZ LYS 67 0.080 -27.774 -3.146 1229 H ILE 68 H ILE 68 1.020 -19.724 -7.307 1230 HA ILE 68 HA ILE 68 -1.822 -19.364 -7.995 1231 HB ILE 68 HB ILE 68 0.616 -17.807 -8.901 1232 1HG1 ILE 68 1HG1 ILE 68 -0.945 -17.505 -6.315 1233 2HG1 ILE 68 2HG1 ILE 68 0.696 -18.138 -6.443 1234 1HG2 ILE 68 1HG2 ILE 68 -0.989 -15.921 -8.879 1235 2HG2 ILE 68 2HG2 ILE 68 -2.268 -17.026 -8.379 1236 3HG2 ILE 68 3HG2 ILE 68 -1.514 -17.207 -9.964 1237 1HD1 ILE 68 1HD1 ILE 68 1.101 -15.855 -7.747 1238 2HD1 ILE 68 2HD1 ILE 68 1.169 -15.921 -5.986 1239 3HD1 ILE 68 3HD1 ILE 68 -0.287 -15.335 -6.790 1240 HA PRO 69 HA PRO 69 -1.685 -21.780 -11.711 1241 1HB PRO 69 1HB PRO 69 -3.253 -20.178 -13.292 1242 2HB PRO 69 2HB PRO 69 -3.913 -21.298 -12.084 1243 1HG PRO 69 1HG PRO 69 -3.447 -18.359 -11.879 1244 2HG PRO 69 2HG PRO 69 -4.830 -19.322 -11.331 1245 1HD PRO 69 1HD PRO 69 -2.924 -18.480 -9.636 1246 2HD PRO 69 2HD PRO 69 -3.752 -20.037 -9.424 1247 H LYS 70 H LYS 70 -0.860 -21.451 -13.959 1248 HA LYS 70 HA LYS 70 1.424 -19.655 -13.996 1249 1HB LYS 70 1HB LYS 70 0.115 -21.580 -15.923 1250 2HB LYS 70 2HB LYS 70 1.545 -20.651 -16.371 1251 1HG LYS 70 1HG LYS 70 2.879 -21.678 -14.711 1252 2HG LYS 70 2HG LYS 70 1.472 -22.279 -13.832 1253 1HD LYS 70 1HD LYS 70 1.255 -24.106 -15.172 1254 2HD LYS 70 2HD LYS 70 1.661 -23.202 -16.631 1255 1HE LYS 70 1HE LYS 70 4.065 -23.180 -15.288 1256 2HE LYS 70 2HE LYS 70 3.421 -24.780 -14.868 1257 1HZ LYS 70 1HZ LYS 70 2.738 -24.750 -17.382 1258 2HZ LYS 70 2HZ LYS 70 4.300 -25.229 -16.916 1259 3HZ LYS 70 3HZ LYS 70 4.032 -23.661 -17.511 1260 H THR 71 H THR 71 -1.773 -18.946 -14.454 1261 HA THR 71 HA THR 71 -1.516 -17.259 -16.855 1262 HB THR 71 HB THR 71 -3.793 -17.018 -14.948 1263 HG1 THR 71 HG1 THR 71 -4.332 -19.177 -16.219 1264 1HG2 THR 71 1HG2 THR 71 -3.478 -17.450 -17.929 1265 2HG2 THR 71 2HG2 THR 71 -3.961 -15.964 -17.111 1266 3HG2 THR 71 3HG2 THR 71 -5.040 -17.359 -17.114 1267 H ILE 72 H ILE 72 -1.250 -16.932 -13.392 1268 HA ILE 72 HA ILE 72 -1.325 -13.963 -13.531 1269 HB ILE 72 HB ILE 72 -1.032 -15.930 -11.239 1270 1HG1 ILE 72 1HG1 ILE 72 -3.442 -14.308 -12.113 1271 2HG1 ILE 72 2HG1 ILE 72 -3.191 -15.997 -12.557 1272 1HG2 ILE 72 1HG2 ILE 72 -0.756 -13.046 -11.411 1273 2HG2 ILE 72 2HG2 ILE 72 -0.486 -14.107 -10.028 1274 3HG2 ILE 72 3HG2 ILE 72 -2.102 -13.483 -10.360 1275 1HD1 ILE 72 1HD1 ILE 72 -3.654 -16.758 -10.454 1276 2HD1 ILE 72 2HD1 ILE 72 -4.536 -15.235 -10.335 1277 3HD1 ILE 72 3HD1 ILE 72 -2.904 -15.364 -9.677 1278 H THR 73 H THR 73 0.616 -13.130 -14.249 1279 HA THR 73 HA THR 73 3.172 -14.420 -13.449 1280 HB THR 73 HB THR 73 2.505 -12.098 -15.285 1281 HG1 THR 73 HG1 THR 73 1.744 -13.734 -16.382 1282 1HG2 THR 73 1HG2 THR 73 5.000 -13.768 -15.408 1283 2HG2 THR 73 2HG2 THR 73 4.900 -12.429 -14.266 1284 3HG2 THR 73 3HG2 THR 73 4.730 -12.127 -15.994 1285 H VAL 74 H VAL 74 4.870 -13.110 -12.450 1286 HA VAL 74 HA VAL 74 3.951 -10.552 -11.207 1287 HB VAL 74 HB VAL 74 3.429 -12.283 -9.614 1288 1HG1 VAL 74 1HG1 VAL 74 4.570 -14.224 -9.564 1289 2HG1 VAL 74 2HG1 VAL 74 6.056 -13.378 -9.133 1290 3HG1 VAL 74 3HG1 VAL 74 5.625 -13.594 -10.828 1291 1HG2 VAL 74 1HG2 VAL 74 4.817 -11.625 -7.742 1292 2HG2 VAL 74 2HG2 VAL 74 4.620 -10.214 -8.781 1293 3HG2 VAL 74 3HG2 VAL 74 6.123 -11.135 -8.822 1294 H SER 75 H SER 75 5.515 -9.056 -11.033 1295 HA SER 75 HA SER 75 8.279 -9.761 -11.928 1296 1HB SER 75 1HB SER 75 6.396 -7.632 -12.399 1297 2HB SER 75 2HB SER 75 7.873 -6.958 -11.716 1298 HG SER 75 HG SER 75 7.668 -8.704 -13.950 1299 H THR 76 H THR 76 9.909 -8.039 -10.854 1300 HA THR 76 HA THR 76 9.363 -7.959 -7.903 1301 HB THR 76 HB THR 76 11.679 -8.676 -7.581 1302 HG1 THR 76 HG1 THR 76 12.453 -7.613 -9.493 1303 1HG2 THR 76 1HG2 THR 76 11.474 -10.831 -9.217 1304 2HG2 THR 76 2HG2 THR 76 9.811 -10.248 -9.256 1305 3HG2 THR 76 3HG2 THR 76 10.563 -10.662 -7.717 1306 H GLY 77 H GLY 77 10.430 -6.177 -6.797 1307 1HA GLY 77 1HA GLY 77 12.085 -4.268 -8.186 1308 2HA GLY 77 2HA GLY 77 10.419 -3.692 -8.102 1309 H PHE 78 H PHE 78 11.648 -1.979 -6.767 1310 HA PHE 78 HA PHE 78 11.388 -2.719 -3.896 1311 1HB PHE 78 1HB PHE 78 13.836 -1.528 -5.237 1312 2HB PHE 78 2HB PHE 78 13.628 -1.659 -3.491 1313 HD1 PHE 78 HD1 PHE 78 15.084 -3.212 -6.243 1314 HD2 PHE 78 HD2 PHE 78 12.757 -4.131 -2.751 1315 HE1 PHE 78 HE1 PHE 78 15.898 -5.555 -6.316 1316 HE2 PHE 78 HE2 PHE 78 13.569 -6.473 -2.824 1317 HZ PHE 78 HZ PHE 78 15.140 -7.186 -4.607 1318 H MET 79 H MET 79 10.960 -0.874 -2.562 1319 HA MET 79 HA MET 79 10.475 1.687 -4.049 1320 1HB MET 79 1HB MET 79 8.684 -0.106 -2.747 1321 2HB MET 79 2HB MET 79 8.760 1.358 -1.764 1322 1HG MET 79 1HG MET 79 8.450 2.660 -3.947 1323 2HG MET 79 2HG MET 79 8.025 1.117 -4.687 1324 1HE MET 79 1HE MET 79 5.112 0.249 -4.402 1325 2HE MET 79 2HE MET 79 4.678 1.908 -4.804 1326 3HE MET 79 3HE MET 79 6.184 1.212 -5.416 1327 H SER 80 H SER 80 10.432 3.605 -2.496 1328 HA SER 80 HA SER 80 12.236 3.150 -0.143 1329 1HB SER 80 1HB SER 80 13.553 4.024 -1.965 1330 2HB SER 80 2HB SER 80 12.332 5.236 -2.340 1331 HG SER 80 HG SER 80 12.742 6.105 -0.226 1332 H ILE 81 H ILE 81 10.743 3.505 1.503 1333 HA ILE 81 HA ILE 81 8.786 5.708 1.312 1334 HB ILE 81 HB ILE 81 8.377 3.377 2.245 1335 1HG1 ILE 81 1HG1 ILE 81 7.905 5.788 4.028 1336 2HG1 ILE 81 2HG1 ILE 81 6.836 5.194 2.757 1337 1HG2 ILE 81 1HG2 ILE 81 10.698 3.689 3.551 1338 2HG2 ILE 81 2HG2 ILE 81 9.412 2.656 4.174 1339 3HG2 ILE 81 3HG2 ILE 81 9.613 4.291 4.803 1340 1HD1 ILE 81 1HD1 ILE 81 7.385 4.035 5.465 1341 2HD1 ILE 81 2HD1 ILE 81 6.960 2.944 4.146 1342 3HD1 ILE 81 3HD1 ILE 81 5.848 4.227 4.623 Start of MODEL 9 1 1H MET 1 1H MET 1 15.626 2.831 -15.202 2 2H MET 1 2H MET 1 15.496 1.321 -15.971 3 3H MET 1 3H MET 1 16.489 1.498 -14.605 4 HA MET 1 HA MET 1 14.103 0.453 -14.385 5 1HB MET 1 1HB MET 1 15.802 2.250 -12.709 6 2HB MET 1 2HB MET 1 14.220 1.802 -12.068 7 1HG MET 1 1HG MET 1 14.804 -0.392 -11.793 8 2HG MET 1 2HG MET 1 15.818 -0.408 -13.236 9 1HE MET 1 1HE MET 1 16.927 0.345 -8.923 10 2HE MET 1 2HE MET 1 15.471 1.045 -9.628 11 3HE MET 1 3HE MET 1 15.705 -0.708 -9.635 12 H THR 2 H THR 2 11.930 1.084 -14.031 13 HA THR 2 HA THR 2 11.201 3.761 -15.076 14 HB THR 2 HB THR 2 10.166 1.588 -15.832 15 HG1 THR 2 HG1 THR 2 9.079 3.841 -15.490 16 1HG2 THR 2 1HG2 THR 2 10.151 0.920 -13.213 17 2HG2 THR 2 2HG2 THR 2 9.071 0.186 -14.398 18 3HG2 THR 2 3HG2 THR 2 8.497 1.508 -13.382 19 HA PRO 3 HA PRO 3 10.969 5.028 -10.782 20 1HB PRO 3 1HB PRO 3 10.101 7.573 -11.267 21 2HB PRO 3 2HB PRO 3 11.803 7.092 -11.414 22 1HG PRO 3 1HG PRO 3 9.766 7.512 -13.531 23 2HG PRO 3 2HG PRO 3 11.499 7.872 -13.540 24 1HD PRO 3 1HD PRO 3 10.367 5.694 -14.764 25 2HD PRO 3 2HD PRO 3 12.056 5.777 -14.231 26 H ILE 4 H ILE 4 9.138 5.666 -9.383 27 HA ILE 4 HA ILE 4 6.441 5.553 -10.656 28 HB ILE 4 HB ILE 4 5.815 3.833 -8.929 29 1HG1 ILE 4 1HG1 ILE 4 8.476 2.878 -8.400 30 2HG1 ILE 4 2HG1 ILE 4 8.362 4.566 -7.896 31 1HG2 ILE 4 1HG2 ILE 4 7.123 3.500 -11.351 32 2HG2 ILE 4 2HG2 ILE 4 6.317 2.225 -10.438 33 3HG2 ILE 4 3HG2 ILE 4 8.052 2.481 -10.252 34 1HD1 ILE 4 1HD1 ILE 4 6.701 4.131 -6.332 35 2HD1 ILE 4 2HD1 ILE 4 7.622 2.628 -6.250 36 3HD1 ILE 4 3HD1 ILE 4 6.128 2.698 -7.185 37 H VAL 5 H VAL 5 5.307 7.255 -9.825 38 HA VAL 5 HA VAL 5 6.181 8.489 -7.274 39 HB VAL 5 HB VAL 5 4.224 9.259 -9.460 40 1HG1 VAL 5 1HG1 VAL 5 5.260 11.119 -7.333 41 2HG1 VAL 5 2HG1 VAL 5 3.839 10.123 -7.019 42 3HG1 VAL 5 3HG1 VAL 5 3.828 11.283 -8.348 43 1HG2 VAL 5 1HG2 VAL 5 6.113 9.905 -10.513 44 2HG2 VAL 5 2HG2 VAL 5 7.096 9.507 -9.104 45 3HG2 VAL 5 3HG2 VAL 5 6.342 11.097 -9.234 46 H HIS 6 H HIS 6 5.046 8.187 -5.392 47 HA HIS 6 HA HIS 6 2.404 6.788 -5.549 48 1HB HIS 6 1HB HIS 6 4.797 6.563 -3.961 49 2HB HIS 6 2HB HIS 6 3.439 6.936 -2.899 50 HD1 HIS 6 HD1 HIS 6 3.570 4.433 -2.006 51 HD2 HIS 6 HD2 HIS 6 2.563 4.812 -6.034 52 HE1 HIS 6 HE1 HIS 6 2.644 2.188 -2.728 53 H LEU 7 H LEU 7 0.641 8.083 -5.188 54 HA LEU 7 HA LEU 7 1.038 10.611 -3.622 55 1HB LEU 7 1HB LEU 7 0.284 10.295 -6.203 56 2HB LEU 7 2HB LEU 7 -1.297 10.214 -5.423 57 HG LEU 7 HG LEU 7 -0.338 12.335 -4.111 58 1HD1 LEU 7 1HD1 LEU 7 1.501 13.271 -5.012 59 2HD1 LEU 7 2HD1 LEU 7 0.767 13.263 -6.616 60 3HD1 LEU 7 3HD1 LEU 7 1.659 11.852 -6.047 61 1HD2 LEU 7 1HD2 LEU 7 -1.179 13.547 -6.451 62 2HD2 LEU 7 2HD2 LEU 7 -2.246 12.952 -5.179 63 3HD2 LEU 7 3HD2 LEU 7 -1.889 11.938 -6.576 64 H LYS 8 H LYS 8 -0.238 10.901 -1.807 65 HA LYS 8 HA LYS 8 -2.631 9.140 -1.441 66 1HB LYS 8 1HB LYS 8 -0.913 7.968 -0.288 67 2HB LYS 8 2HB LYS 8 -0.188 9.461 0.312 68 1HG LYS 8 1HG LYS 8 -2.137 9.864 1.744 69 2HG LYS 8 2HG LYS 8 -2.918 8.413 1.116 70 1HD LYS 8 1HD LYS 8 -1.862 7.926 3.276 71 2HD LYS 8 2HD LYS 8 -1.040 7.045 1.989 72 1HE LYS 8 1HE LYS 8 0.904 8.017 2.623 73 2HE LYS 8 2HE LYS 8 0.220 9.599 2.200 74 1HZ LYS 8 1HZ LYS 8 -0.208 8.160 4.767 75 2HZ LYS 8 2HZ LYS 8 -0.876 9.666 4.352 76 3HZ LYS 8 3HZ LYS 8 0.803 9.505 4.554 77 H GLY 9 H GLY 9 -4.001 9.984 0.418 78 1HA GLY 9 1HA GLY 9 -3.854 12.226 1.910 79 2HA GLY 9 2HA GLY 9 -4.065 12.934 0.308 80 H ASP 10 H ASP 10 -6.128 13.791 1.038 81 HA ASP 10 HA ASP 10 -8.280 12.181 2.030 82 1HB ASP 10 1HB ASP 10 -7.885 14.859 0.759 83 2HB ASP 10 2HB ASP 10 -9.534 14.244 0.881 84 H ALA 11 H ALA 11 -9.624 10.786 0.951 85 HA ALA 11 HA ALA 11 -9.235 9.827 -1.649 86 1HB ALA 11 1HB ALA 11 -12.036 9.832 -0.904 87 2HB ALA 11 2HB ALA 11 -10.899 8.484 -0.917 88 3HB ALA 11 3HB ALA 11 -11.026 9.516 0.506 89 H ASN 12 H ASN 12 -11.939 12.013 -0.742 90 HA ASN 12 HA ASN 12 -12.904 12.662 -3.254 91 1HB ASN 12 1HB ASN 12 -13.341 14.957 -2.128 92 2HB ASN 12 2HB ASN 12 -13.985 13.523 -1.329 93 1HD2 ASN 12 1HD2 ASN 12 -13.307 13.145 0.806 94 2HD2 ASN 12 2HD2 ASN 12 -12.058 13.996 1.578 95 H THR 13 H THR 13 -10.167 14.297 -1.615 96 HA THR 13 HA THR 13 -9.576 16.203 -3.626 97 HB THR 13 HB THR 13 -7.756 14.686 -1.730 98 HG1 THR 13 HG1 THR 13 -8.208 16.368 -0.345 99 1HG2 THR 13 1HG2 THR 13 -6.267 16.617 -1.936 100 2HG2 THR 13 2HG2 THR 13 -7.385 17.381 -3.067 101 3HG2 THR 13 3HG2 THR 13 -6.541 15.900 -3.525 102 H LEU 14 H LEU 14 -8.777 12.767 -3.432 103 HA LEU 14 HA LEU 14 -6.785 12.764 -5.529 104 1HB LEU 14 1HB LEU 14 -8.480 10.790 -4.045 105 2HB LEU 14 2HB LEU 14 -7.637 10.246 -5.493 106 HG LEU 14 HG LEU 14 -6.119 11.819 -3.442 107 1HD1 LEU 14 1HD1 LEU 14 -5.555 9.694 -2.290 108 2HD1 LEU 14 2HD1 LEU 14 -6.741 8.853 -3.287 109 3HD1 LEU 14 3HD1 LEU 14 -7.269 10.083 -2.138 110 1HD2 LEU 14 1HD2 LEU 14 -4.532 11.325 -4.973 111 2HD2 LEU 14 2HD2 LEU 14 -5.607 10.208 -5.813 112 3HD2 LEU 14 3HD2 LEU 14 -4.654 9.649 -4.440 113 H LYS 15 H LYS 15 -10.303 12.412 -5.467 114 HA LYS 15 HA LYS 15 -10.733 11.414 -8.091 115 1HB LYS 15 1HB LYS 15 -12.265 13.170 -6.174 116 2HB LYS 15 2HB LYS 15 -12.950 12.711 -7.732 117 1HG LYS 15 1HG LYS 15 -11.848 10.695 -5.764 118 2HG LYS 15 2HG LYS 15 -13.546 11.173 -5.797 119 1HD LYS 15 1HD LYS 15 -13.097 10.635 -8.441 120 2HD LYS 15 2HD LYS 15 -12.040 9.454 -7.665 121 1HE LYS 15 1HE LYS 15 -13.811 8.358 -6.610 122 2HE LYS 15 2HE LYS 15 -14.852 9.793 -6.649 123 1HZ LYS 15 1HZ LYS 15 -14.231 9.341 -9.267 124 2HZ LYS 15 2HZ LYS 15 -15.701 8.944 -8.513 125 3HZ LYS 15 3HZ LYS 15 -14.473 7.779 -8.653 126 H CYS 16 H CYS 16 -10.478 14.795 -6.953 127 HA CYS 16 HA CYS 16 -10.945 15.989 -9.537 128 1HB CYS 16 1HB CYS 16 -11.173 17.006 -7.224 129 2HB CYS 16 2HB CYS 16 -9.412 17.101 -7.173 130 HG CYS 16 HG CYS 16 -10.234 19.364 -8.157 131 H LEU 17 H LEU 17 -7.981 15.071 -7.785 132 HA LEU 17 HA LEU 17 -6.070 16.298 -9.488 133 1HB LEU 17 1HB LEU 17 -5.951 13.665 -7.980 134 2HB LEU 17 2HB LEU 17 -4.557 14.606 -8.512 135 HG LEU 17 HG LEU 17 -6.671 15.840 -6.753 136 1HD1 LEU 17 1HD1 LEU 17 -5.166 13.611 -6.011 137 2HD1 LEU 17 2HD1 LEU 17 -5.941 14.753 -4.912 138 3HD1 LEU 17 3HD1 LEU 17 -4.254 14.977 -5.370 139 1HD2 LEU 17 1HD2 LEU 17 -3.836 16.420 -7.572 140 2HD2 LEU 17 2HD2 LEU 17 -4.450 17.054 -6.045 141 3HD2 LEU 17 3HD2 LEU 17 -5.231 17.500 -7.562 142 H ARG 18 H ARG 18 -7.196 12.893 -9.586 143 HA ARG 18 HA ARG 18 -5.884 11.978 -11.852 144 1HB ARG 18 1HB ARG 18 -7.409 10.688 -10.373 145 2HB ARG 18 2HB ARG 18 -8.787 11.523 -11.091 146 1HG ARG 18 1HG ARG 18 -8.308 10.584 -13.267 147 2HG ARG 18 2HG ARG 18 -6.791 9.896 -12.687 148 1HD ARG 18 1HD ARG 18 -8.494 8.134 -12.745 149 2HD ARG 18 2HD ARG 18 -8.129 8.512 -11.050 150 HE ARG 18 HE ARG 18 -10.238 10.218 -12.043 151 1HH1 ARG 18 1HH1 ARG 18 -9.667 8.201 -9.575 152 2HH1 ARG 18 2HH1 ARG 18 -11.185 7.370 -9.593 153 1HH2 ARG 18 1HH2 ARG 18 -12.145 8.642 -12.671 154 2HH2 ARG 18 2HH2 ARG 18 -12.587 7.619 -11.345 155 H TYR 19 H TYR 19 -8.564 14.259 -11.708 156 HA TYR 19 HA TYR 19 -9.370 14.135 -14.459 157 1HB TYR 19 1HB TYR 19 -10.604 15.190 -12.554 158 2HB TYR 19 2HB TYR 19 -9.387 16.467 -12.514 159 HD1 TYR 19 HD1 TYR 19 -12.172 14.998 -14.429 160 HD2 TYR 19 HD2 TYR 19 -9.240 18.135 -14.286 161 HE1 TYR 19 HE1 TYR 19 -13.372 16.201 -16.237 162 HE2 TYR 19 HE2 TYR 19 -10.440 19.339 -16.093 163 HH TYR 19 HH TYR 19 -12.743 19.434 -17.023 164 H ARG 20 H ARG 20 -6.753 15.816 -12.794 165 HA ARG 20 HA ARG 20 -6.053 17.632 -14.917 166 1HB ARG 20 1HB ARG 20 -4.564 16.389 -12.587 167 2HB ARG 20 2HB ARG 20 -3.868 17.648 -13.607 168 1HG ARG 20 1HG ARG 20 -5.923 19.051 -13.083 169 2HG ARG 20 2HG ARG 20 -6.336 17.844 -11.865 170 1HD ARG 20 1HD ARG 20 -4.258 18.253 -10.665 171 2HD ARG 20 2HD ARG 20 -3.692 19.342 -11.947 172 HE ARG 20 HE ARG 20 -6.271 20.208 -11.048 173 1HH1 ARG 20 1HH1 ARG 20 -4.331 19.485 -8.641 174 2HH1 ARG 20 2HH1 ARG 20 -3.805 21.083 -8.231 175 1HH2 ARG 20 1HH2 ARG 20 -5.013 22.518 -11.147 176 2HH2 ARG 20 2HH2 ARG 20 -4.189 22.799 -9.649 177 H PHE 21 H PHE 21 -5.499 14.225 -14.414 178 HA PHE 21 HA PHE 21 -3.151 13.888 -16.037 179 1HB PHE 21 1HB PHE 21 -5.479 12.096 -15.284 180 2HB PHE 21 2HB PHE 21 -4.038 11.511 -16.112 181 HD1 PHE 21 HD1 PHE 21 -3.038 14.198 -14.094 182 HD2 PHE 21 HD2 PHE 21 -4.216 10.074 -13.830 183 HE1 PHE 21 HE1 PHE 21 -1.865 14.002 -11.919 184 HE2 PHE 21 HE2 PHE 21 -3.043 9.878 -11.654 185 HZ PHE 21 HZ PHE 21 -1.868 11.842 -10.697 186 H LYS 22 H LYS 22 -6.625 13.942 -16.779 187 HA LYS 22 HA LYS 22 -6.458 13.056 -19.497 188 1HB LYS 22 1HB LYS 22 -8.397 14.995 -18.193 189 2HB LYS 22 2HB LYS 22 -8.707 14.014 -19.626 190 1HG LYS 22 1HG LYS 22 -8.342 13.087 -16.773 191 2HG LYS 22 2HG LYS 22 -9.715 12.809 -17.844 192 1HD LYS 22 1HD LYS 22 -8.339 11.377 -19.282 193 2HD LYS 22 2HD LYS 22 -6.927 11.695 -18.274 194 1HE LYS 22 1HE LYS 22 -9.446 10.191 -17.497 195 2HE LYS 22 2HE LYS 22 -7.777 9.588 -17.511 196 1HZ LYS 22 1HZ LYS 22 -9.000 11.580 -15.702 197 2HZ LYS 22 2HZ LYS 22 -7.320 11.542 -15.946 198 3HZ LYS 22 3HZ LYS 22 -8.117 10.189 -15.301 199 H LYS 23 H LYS 23 -6.272 16.308 -18.036 200 HA LYS 23 HA LYS 23 -6.028 17.684 -20.591 201 1HB LYS 23 1HB LYS 23 -5.371 18.483 -17.736 202 2HB LYS 23 2HB LYS 23 -5.514 19.599 -19.094 203 1HG LYS 23 1HG LYS 23 -7.719 17.787 -18.066 204 2HG LYS 23 2HG LYS 23 -7.611 19.526 -17.790 205 1HD LYS 23 1HD LYS 23 -7.318 19.161 -20.578 206 2HD LYS 23 2HD LYS 23 -8.657 18.123 -20.088 207 1HE LYS 23 1HE LYS 23 -8.536 20.939 -19.032 208 2HE LYS 23 2HE LYS 23 -9.147 20.644 -20.672 209 1HZ LYS 23 1HZ LYS 23 -10.867 19.369 -19.915 210 2HZ LYS 23 2HZ LYS 23 -10.729 20.445 -18.607 211 3HZ LYS 23 3HZ LYS 23 -10.054 18.889 -18.505 212 H HIS 24 H HIS 24 -3.950 15.647 -18.967 213 HA HIS 24 HA HIS 24 -1.593 16.761 -20.409 214 1HB HIS 24 1HB HIS 24 -1.641 15.973 -17.474 215 2HB HIS 24 2HB HIS 24 -0.254 16.605 -18.360 216 HD1 HIS 24 HD1 HIS 24 -0.987 19.049 -19.659 217 HD2 HIS 24 HD2 HIS 24 -2.879 18.006 -16.094 218 HE1 HIS 24 HE1 HIS 24 -1.964 21.186 -18.714 219 H CYS 25 H CYS 25 -3.333 14.453 -20.864 220 HA CYS 25 HA CYS 25 -2.351 11.985 -19.898 221 1HB CYS 25 1HB CYS 25 -4.347 12.794 -21.475 222 2HB CYS 25 2HB CYS 25 -3.226 12.292 -22.741 223 HG CYS 25 HG CYS 25 -3.125 9.922 -21.376 224 H THR 26 H THR 26 -0.699 14.262 -21.842 225 HA THR 26 HA THR 26 0.976 12.216 -23.190 226 HB THR 26 HB THR 26 1.890 14.230 -24.325 227 HG1 THR 26 HG1 THR 26 1.039 16.236 -23.769 228 1HG2 THR 26 1HG2 THR 26 -0.850 15.005 -24.630 229 2HG2 THR 26 2HG2 THR 26 -0.783 13.256 -24.418 230 3HG2 THR 26 3HG2 THR 26 0.138 14.024 -25.712 231 H LEU 27 H LEU 27 0.928 13.499 -20.167 232 HA LEU 27 HA LEU 27 3.829 14.076 -19.955 233 1HB LEU 27 1HB LEU 27 1.348 14.454 -18.359 234 2HB LEU 27 2HB LEU 27 2.838 14.239 -17.438 235 HG LEU 27 HG LEU 27 2.334 16.308 -19.596 236 1HD1 LEU 27 1HD1 LEU 27 2.291 17.894 -17.879 237 2HD1 LEU 27 2HD1 LEU 27 3.147 16.842 -16.752 238 3HD1 LEU 27 3HD1 LEU 27 1.454 16.533 -17.133 239 1HD2 LEU 27 1HD2 LEU 27 4.713 16.948 -18.368 240 2HD2 LEU 27 2HD2 LEU 27 4.578 16.120 -19.920 241 3HD2 LEU 27 3HD2 LEU 27 4.802 15.188 -18.438 242 H TYR 28 H TYR 28 1.446 11.800 -18.523 243 HA TYR 28 HA TYR 28 3.711 10.095 -17.592 244 1HB TYR 28 1HB TYR 28 1.867 8.999 -16.290 245 2HB TYR 28 2HB TYR 28 1.997 10.727 -15.964 246 HD1 TYR 28 HD1 TYR 28 0.097 12.076 -16.157 247 HD2 TYR 28 HD2 TYR 28 0.240 8.323 -18.242 248 HE1 TYR 28 HE1 TYR 28 -2.253 12.392 -16.886 249 HE2 TYR 28 HE2 TYR 28 -2.109 8.639 -18.972 250 HH TYR 28 HH TYR 28 -3.773 11.647 -18.552 251 H THR 29 H THR 29 3.385 7.670 -17.941 252 HA THR 29 HA THR 29 2.379 7.213 -20.709 253 HB THR 29 HB THR 29 4.058 5.402 -18.962 254 HG1 THR 29 HG1 THR 29 5.831 6.463 -19.750 255 1HG2 THR 29 1HG2 THR 29 4.782 5.359 -21.701 256 2HG2 THR 29 2HG2 THR 29 3.020 5.303 -21.645 257 3HG2 THR 29 3HG2 THR 29 3.969 4.091 -20.785 258 H ALA 30 H ALA 30 1.916 6.160 -17.361 259 HA ALA 30 HA ALA 30 -0.626 4.877 -18.126 260 1HB ALA 30 1HB ALA 30 1.110 3.042 -16.616 261 2HB ALA 30 2HB ALA 30 0.097 2.722 -18.024 262 3HB ALA 30 3HB ALA 30 1.707 3.409 -18.234 263 H VAL 31 H VAL 31 -1.899 5.817 -16.560 264 HA VAL 31 HA VAL 31 -0.845 6.249 -13.826 265 HB VAL 31 HB VAL 31 -2.987 7.471 -13.579 266 1HG1 VAL 31 1HG1 VAL 31 -1.678 8.063 -16.249 267 2HG1 VAL 31 2HG1 VAL 31 -1.000 8.533 -14.691 268 3HG1 VAL 31 3HG1 VAL 31 -2.541 9.205 -15.220 269 1HG2 VAL 31 1HG2 VAL 31 -4.762 6.914 -14.852 270 2HG2 VAL 31 2HG2 VAL 31 -3.768 5.724 -15.693 271 3HG2 VAL 31 3HG2 VAL 31 -3.878 7.374 -16.307 272 H SER 32 H SER 32 -1.555 5.061 -12.033 273 HA SER 32 HA SER 32 -3.036 2.560 -12.593 274 1HB SER 32 1HB SER 32 -2.350 2.865 -9.849 275 2HB SER 32 2HB SER 32 -1.541 1.866 -11.052 276 HG SER 32 HG SER 32 0.046 3.218 -10.860 277 H SER 33 H SER 33 -5.045 2.062 -11.637 278 HA SER 33 HA SER 33 -6.888 4.177 -11.125 279 1HB SER 33 1HB SER 33 -8.285 2.407 -11.301 280 2HB SER 33 2HB SER 33 -6.860 1.383 -11.453 281 HG SER 33 HG SER 33 -8.257 2.117 -9.094 282 H THR 34 H THR 34 -8.024 4.585 -9.046 283 HA THR 34 HA THR 34 -6.208 5.113 -6.871 284 HB THR 34 HB THR 34 -9.236 4.995 -6.845 285 HG1 THR 34 HG1 THR 34 -8.985 6.347 -8.445 286 1HG2 THR 34 1HG2 THR 34 -9.084 6.634 -5.119 287 2HG2 THR 34 2HG2 THR 34 -7.369 6.904 -5.431 288 3HG2 THR 34 3HG2 THR 34 -7.905 5.390 -4.702 289 H TRP 35 H TRP 35 -5.678 3.816 -5.145 290 HA TRP 35 HA TRP 35 -7.455 1.546 -4.408 291 1HB TRP 35 1HB TRP 35 -5.635 -0.044 -4.629 292 2HB TRP 35 2HB TRP 35 -5.768 0.836 -6.151 293 HD1 TRP 35 HD1 TRP 35 -3.870 2.586 -6.745 294 HE1 TRP 35 HE1 TRP 35 -1.479 2.914 -5.837 295 HE3 TRP 35 HE3 TRP 35 -4.156 -0.214 -2.484 296 HZ2 TRP 35 HZ2 TRP 35 0.104 2.092 -3.596 297 HZ3 TRP 35 HZ3 TRP 35 -2.196 -0.427 -0.984 298 HH2 TRP 35 HH2 TRP 35 -0.069 0.720 -1.534 299 H HIS 36 H HIS 36 -6.200 0.396 -2.391 300 HA HIS 36 HA HIS 36 -4.640 2.281 -0.763 301 1HB HIS 36 1HB HIS 36 -6.702 3.310 -0.337 302 2HB HIS 36 2HB HIS 36 -7.589 1.790 -0.432 303 HD1 HIS 36 HD1 HIS 36 -5.194 3.642 1.862 304 HD2 HIS 36 HD2 HIS 36 -7.914 0.488 2.015 305 HE1 HIS 36 HE1 HIS 36 -5.387 2.980 4.300 306 H TRP 37 H TRP 37 -4.432 1.316 1.553 307 HA TRP 37 HA TRP 37 -3.634 -1.488 1.312 308 1HB TRP 37 1HB TRP 37 -3.691 0.572 3.535 309 2HB TRP 37 2HB TRP 37 -3.049 -1.053 3.762 310 HD1 TRP 37 HD1 TRP 37 -1.801 2.205 3.158 311 HE1 TRP 37 HE1 TRP 37 0.425 2.201 1.858 312 HE3 TRP 37 HE3 TRP 37 -1.846 -2.571 1.350 313 HZ2 TRP 37 HZ2 TRP 37 1.982 0.408 0.264 314 HZ3 TRP 37 HZ3 TRP 37 0.020 -3.401 -0.055 315 HH2 TRP 37 HH2 TRP 37 1.932 -1.918 -0.600 316 H THR 38 H THR 38 -5.516 -2.779 1.111 317 HA THR 38 HA THR 38 -7.503 -2.592 3.353 318 HB THR 38 HB THR 38 -8.986 -3.754 1.655 319 HG1 THR 38 HG1 THR 38 -7.107 -2.970 -0.265 320 1HG2 THR 38 1HG2 THR 38 -8.776 -1.210 2.035 321 2HG2 THR 38 2HG2 THR 38 -9.525 -1.745 0.530 322 3HG2 THR 38 3HG2 THR 38 -7.848 -1.196 0.534 323 H GLY 39 H GLY 39 -8.631 -4.946 3.495 324 1HA GLY 39 1HA GLY 39 -7.044 -7.271 2.997 325 2HA GLY 39 2HA GLY 39 -6.744 -6.717 4.646 326 H HIS 40 H HIS 40 -8.256 -7.200 6.207 327 HA HIS 40 HA HIS 40 -10.796 -8.491 5.264 328 1HB HIS 40 1HB HIS 40 -8.799 -9.695 6.562 329 2HB HIS 40 2HB HIS 40 -9.604 -8.991 7.965 330 HD1 HIS 40 HD1 HIS 40 -10.965 -10.645 4.798 331 HD2 HIS 40 HD2 HIS 40 -11.316 -10.915 8.944 332 HE1 HIS 40 HE1 HIS 40 -12.694 -12.438 5.255 333 H ASN 41 H ASN 41 -9.557 -7.046 8.309 334 HA ASN 41 HA ASN 41 -12.221 -5.771 8.715 335 1HB ASN 41 1HB ASN 41 -9.795 -6.149 10.504 336 2HB ASN 41 2HB ASN 41 -11.343 -5.486 11.026 337 1HD2 ASN 41 1HD2 ASN 41 -12.857 -7.406 9.239 338 2HD2 ASN 41 2HD2 ASN 41 -12.774 -8.903 10.033 339 H VAL 42 H VAL 42 -12.132 -3.884 7.425 340 HA VAL 42 HA VAL 42 -10.039 -1.893 8.228 341 HB VAL 42 HB VAL 42 -10.161 -1.206 5.758 342 1HG1 VAL 42 1HG1 VAL 42 -9.153 -4.003 6.361 343 2HG1 VAL 42 2HG1 VAL 42 -8.295 -2.519 6.779 344 3HG1 VAL 42 3HG1 VAL 42 -8.574 -2.930 5.087 345 1HG2 VAL 42 1HG2 VAL 42 -10.927 -3.039 4.234 346 2HG2 VAL 42 2HG2 VAL 42 -12.243 -2.349 5.184 347 3HG2 VAL 42 3HG2 VAL 42 -11.547 -3.905 5.639 348 H LYS 43 H LYS 43 -11.145 -0.233 9.201 349 HA LYS 43 HA LYS 43 -13.974 0.244 8.835 350 1HB LYS 43 1HB LYS 43 -11.630 1.573 10.167 351 2HB LYS 43 2HB LYS 43 -13.153 2.455 10.039 352 1HG LYS 43 1HG LYS 43 -14.272 1.012 11.449 353 2HG LYS 43 2HG LYS 43 -13.269 -0.368 11.004 354 1HD LYS 43 1HD LYS 43 -12.546 0.116 13.186 355 2HD LYS 43 2HD LYS 43 -11.350 0.941 12.185 356 1HE LYS 43 1HE LYS 43 -12.952 2.999 12.370 357 2HE LYS 43 2HE LYS 43 -13.629 2.132 13.763 358 1HZ LYS 43 1HZ LYS 43 -11.218 1.787 14.445 359 2HZ LYS 43 2HZ LYS 43 -11.853 3.351 14.644 360 3HZ LYS 43 3HZ LYS 43 -10.834 3.006 13.330 361 H HIS 44 H HIS 44 -11.531 2.772 8.368 362 HA HIS 44 HA HIS 44 -12.137 3.151 5.536 363 1HB HIS 44 1HB HIS 44 -13.460 5.134 5.755 364 2HB HIS 44 2HB HIS 44 -14.162 3.972 6.880 365 HD1 HIS 44 HD1 HIS 44 -13.529 4.290 9.449 366 HD2 HIS 44 HD2 HIS 44 -12.407 7.434 6.955 367 HE1 HIS 44 HE1 HIS 44 -12.996 6.248 10.962 368 H LYS 45 H LYS 45 -10.174 3.827 4.788 369 HA LYS 45 HA LYS 45 -8.507 5.584 6.559 370 1HB LYS 45 1HB LYS 45 -7.734 3.674 4.331 371 2HB LYS 45 2HB LYS 45 -6.613 4.538 5.384 372 1HG LYS 45 1HG LYS 45 -8.719 2.603 6.389 373 2HG LYS 45 2HG LYS 45 -7.039 2.156 6.085 374 1HD LYS 45 1HD LYS 45 -6.397 4.078 7.652 375 2HD LYS 45 2HD LYS 45 -8.098 4.126 8.121 376 1HE LYS 45 1HE LYS 45 -7.328 1.394 8.206 377 2HE LYS 45 2HE LYS 45 -6.057 2.312 9.035 378 1HZ LYS 45 1HZ LYS 45 -8.867 3.030 9.493 379 2HZ LYS 45 2HZ LYS 45 -7.531 3.199 10.527 380 3HZ LYS 45 3HZ LYS 45 -8.238 1.674 10.293 381 H SER 46 H SER 46 -6.825 5.707 3.892 382 HA SER 46 HA SER 46 -8.477 7.821 2.551 383 1HB SER 46 1HB SER 46 -6.364 9.134 2.428 384 2HB SER 46 2HB SER 46 -6.837 8.801 4.092 385 HG SER 46 HG SER 46 -4.561 8.378 3.418 386 H ALA 47 H ALA 47 -8.881 6.843 0.576 387 HA ALA 47 HA ALA 47 -7.582 4.887 -0.833 388 1HB ALA 47 1HB ALA 47 -8.627 7.494 -1.986 389 2HB ALA 47 2HB ALA 47 -8.534 5.945 -2.824 390 3HB ALA 47 3HB ALA 47 -9.647 6.151 -1.471 391 H ILE 48 H ILE 48 -5.942 4.902 -2.527 392 HA ILE 48 HA ILE 48 -4.098 7.245 -2.567 393 HB ILE 48 HB ILE 48 -3.171 4.398 -2.102 394 1HG1 ILE 48 1HG1 ILE 48 -3.548 6.557 -0.002 395 2HG1 ILE 48 2HG1 ILE 48 -4.683 5.227 -0.248 396 1HG2 ILE 48 1HG2 ILE 48 -1.864 7.102 -1.658 397 2HG2 ILE 48 2HG2 ILE 48 -1.520 6.007 -2.998 398 3HG2 ILE 48 3HG2 ILE 48 -1.117 5.536 -1.347 399 1HD1 ILE 48 1HD1 ILE 48 -2.883 4.891 1.559 400 2HD1 ILE 48 2HD1 ILE 48 -1.740 4.738 0.224 401 3HD1 ILE 48 3HD1 ILE 48 -3.074 3.596 0.377 402 H VAL 49 H VAL 49 -2.416 6.919 -4.361 403 HA VAL 49 HA VAL 49 -3.246 4.986 -6.462 404 HB VAL 49 HB VAL 49 -4.356 7.427 -6.445 405 1HG1 VAL 49 1HG1 VAL 49 -2.054 8.492 -6.500 406 2HG1 VAL 49 2HG1 VAL 49 -3.142 9.016 -7.784 407 3HG1 VAL 49 3HG1 VAL 49 -1.873 7.841 -8.129 408 1HG2 VAL 49 1HG2 VAL 49 -4.549 5.478 -8.118 409 2HG2 VAL 49 2HG2 VAL 49 -3.299 6.310 -9.045 410 3HG2 VAL 49 3HG2 VAL 49 -4.848 7.100 -8.745 411 H THR 50 H THR 50 -1.650 5.449 -8.466 412 HA THR 50 HA THR 50 1.058 6.240 -7.513 413 HB THR 50 HB THR 50 0.326 3.550 -8.718 414 HG1 THR 50 HG1 THR 50 0.976 2.823 -6.623 415 1HG2 THR 50 1HG2 THR 50 2.500 3.516 -9.313 416 2HG2 THR 50 2HG2 THR 50 2.873 3.440 -7.591 417 3HG2 THR 50 3HG2 THR 50 2.837 4.997 -8.419 418 H LEU 51 H LEU 51 2.536 6.624 -9.338 419 HA LEU 51 HA LEU 51 1.205 6.714 -12.020 420 1HB LEU 51 1HB LEU 51 2.573 8.857 -10.401 421 2HB LEU 51 2HB LEU 51 2.542 8.964 -12.162 422 HG LEU 51 HG LEU 51 -0.062 8.299 -10.955 423 1HD1 LEU 51 1HD1 LEU 51 0.308 9.808 -9.236 424 2HD1 LEU 51 2HD1 LEU 51 -0.257 10.912 -10.490 425 3HD1 LEU 51 3HD1 LEU 51 1.469 10.749 -10.171 426 1HD2 LEU 51 1HD2 LEU 51 0.716 10.576 -12.790 427 2HD2 LEU 51 2HD2 LEU 51 -0.853 9.781 -12.653 428 3HD2 LEU 51 3HD2 LEU 51 0.510 8.926 -13.377 429 H THR 52 H THR 52 2.483 5.681 -13.495 430 HA THR 52 HA THR 52 5.335 5.156 -12.816 431 HB THR 52 HB THR 52 4.643 3.850 -15.189 432 HG1 THR 52 HG1 THR 52 2.471 3.774 -13.368 433 1HG2 THR 52 1HG2 THR 52 5.869 2.837 -13.353 434 2HG2 THR 52 2HG2 THR 52 4.438 1.859 -13.682 435 3HG2 THR 52 3HG2 THR 52 4.459 2.954 -12.300 436 H TYR 53 H TYR 53 6.993 6.122 -13.952 437 HA TYR 53 HA TYR 53 6.250 7.775 -16.347 438 1HB TYR 53 1HB TYR 53 8.094 8.194 -13.998 439 2HB TYR 53 2HB TYR 53 8.340 9.089 -15.498 440 HD1 TYR 53 HD1 TYR 53 6.004 8.469 -12.694 441 HD2 TYR 53 HD2 TYR 53 6.795 10.808 -16.212 442 HE1 TYR 53 HE1 TYR 53 4.207 10.051 -12.047 443 HE2 TYR 53 HE2 TYR 53 4.997 12.390 -15.563 444 HH TYR 53 HH TYR 53 3.082 11.879 -12.596 445 H ASP 54 H ASP 54 7.871 7.855 -18.043 446 HA ASP 54 HA ASP 54 9.416 5.362 -18.302 447 1HB ASP 54 1HB ASP 54 8.101 6.178 -20.166 448 2HB ASP 54 2HB ASP 54 8.885 7.756 -20.085 449 H SER 55 H SER 55 10.029 8.511 -17.139 450 HA SER 55 HA SER 55 12.911 7.951 -16.966 451 1HB SER 55 1HB SER 55 12.279 10.538 -18.282 452 2HB SER 55 2HB SER 55 13.623 9.436 -18.565 453 HG SER 55 HG SER 55 11.413 9.691 -19.972 454 H GLU 56 H GLU 56 13.935 9.321 -15.411 455 HA GLU 56 HA GLU 56 12.280 10.389 -13.329 456 1HB GLU 56 1HB GLU 56 15.191 10.493 -14.104 457 2HB GLU 56 2HB GLU 56 14.614 11.417 -12.715 458 1HG GLU 56 1HG GLU 56 13.491 9.164 -12.005 459 2HG GLU 56 2HG GLU 56 14.651 8.436 -13.117 460 H TRP 57 H TRP 57 14.025 11.930 -16.025 461 HA TRP 57 HA TRP 57 13.717 14.648 -15.355 462 1HB TRP 57 1HB TRP 57 15.013 13.787 -17.248 463 2HB TRP 57 2HB TRP 57 13.538 13.214 -18.026 464 HD1 TRP 57 HD1 TRP 57 12.697 14.781 -19.822 465 HE1 TRP 57 HE1 TRP 57 12.776 17.320 -20.257 466 HE3 TRP 57 HE3 TRP 57 15.215 16.311 -15.651 467 HZ2 TRP 57 HZ2 TRP 57 13.773 19.689 -19.000 468 HZ3 TRP 57 HZ3 TRP 57 15.716 18.713 -15.294 469 HH2 TRP 57 HH2 TRP 57 14.998 20.401 -16.963 470 H GLN 58 H GLN 58 11.494 12.625 -17.300 471 HA GLN 58 HA GLN 58 9.442 14.529 -17.685 472 1HB GLN 58 1HB GLN 58 9.923 12.012 -18.466 473 2HB GLN 58 2HB GLN 58 8.766 11.660 -17.182 474 1HG GLN 58 1HG GLN 58 7.081 13.030 -18.209 475 2HG GLN 58 2HG GLN 58 8.239 13.689 -19.366 476 1HE2 GLN 58 1HE2 GLN 58 5.830 12.323 -20.196 477 2HE2 GLN 58 2HE2 GLN 58 6.290 10.892 -20.985 478 H ARG 59 H ARG 59 10.048 12.379 -14.912 479 HA ARG 59 HA ARG 59 7.585 12.742 -13.532 480 1HB ARG 59 1HB ARG 59 9.208 11.060 -12.909 481 2HB ARG 59 2HB ARG 59 10.435 12.289 -12.600 482 1HG ARG 59 1HG ARG 59 8.886 13.239 -10.829 483 2HG ARG 59 2HG ARG 59 7.889 11.799 -11.037 484 1HD ARG 59 1HD ARG 59 9.358 11.285 -9.216 485 2HD ARG 59 2HD ARG 59 10.070 10.459 -10.617 486 HE ARG 59 HE ARG 59 11.636 12.368 -10.843 487 1HH1 ARG 59 1HH2 ARG 59 10.000 14.321 -9.202 488 2HH1 ARG 59 2HH2 ARG 59 10.918 14.390 -7.735 489 1HH2 ARG 59 1HH1 ARG 59 12.720 11.509 -8.416 490 2HH2 ARG 59 2HH1 ARG 59 12.455 12.797 -7.289 491 H ASP 60 H ASP 60 10.651 14.572 -13.161 492 HA ASP 60 HA ASP 60 9.711 16.421 -11.213 493 1HB ASP 60 1HB ASP 60 12.058 16.087 -11.732 494 2HB ASP 60 2HB ASP 60 11.806 16.607 -13.399 495 H GLN 61 H GLN 61 9.445 16.447 -14.751 496 HA GLN 61 HA GLN 61 8.602 19.176 -15.041 497 1HB GLN 61 1HB GLN 61 8.047 16.669 -16.664 498 2HB GLN 61 2HB GLN 61 7.785 18.316 -17.242 499 1HG GLN 61 1HG GLN 61 10.235 18.765 -16.725 500 2HG GLN 61 2HG GLN 61 10.415 17.028 -16.477 501 1HE2 GLN 61 1HE2 GLN 61 10.767 15.769 -18.330 502 2HE2 GLN 61 2HE2 GLN 61 10.572 16.328 -19.922 503 H PHE 62 H PHE 62 6.721 16.147 -14.753 504 HA PHE 62 HA PHE 62 4.117 17.223 -14.930 505 1HB PHE 62 1HB PHE 62 4.273 14.896 -14.955 506 2HB PHE 62 2HB PHE 62 5.440 14.860 -13.635 507 HD1 PHE 62 HD1 PHE 62 1.912 14.835 -14.536 508 HD2 PHE 62 HD2 PHE 62 4.683 15.275 -11.282 509 HE1 PHE 62 HE1 PHE 62 0.075 14.439 -12.918 510 HE2 PHE 62 HE2 PHE 62 2.846 14.880 -9.663 511 HZ PHE 62 HZ PHE 62 0.541 14.462 -10.480 512 H LEU 63 H LEU 63 6.214 16.822 -12.064 513 HA LEU 63 HA LEU 63 4.384 17.735 -10.089 514 1HB LEU 63 1HB LEU 63 7.400 17.960 -10.338 515 2HB LEU 63 2HB LEU 63 6.507 18.213 -8.838 516 HG LEU 63 HG LEU 63 6.347 15.664 -10.466 517 1HD1 LEU 63 1HD1 LEU 63 8.483 15.376 -9.709 518 2HD1 LEU 63 2HD1 LEU 63 7.676 14.991 -8.188 519 3HD1 LEU 63 3HD1 LEU 63 8.313 16.612 -8.463 520 1HD2 LEU 63 1HD2 LEU 63 4.769 15.045 -8.973 521 2HD2 LEU 63 2HD2 LEU 63 4.758 16.711 -8.395 522 3HD2 LEU 63 3HD2 LEU 63 5.796 15.515 -7.618 523 H SER 64 H SER 64 6.527 19.550 -12.269 524 HA SER 64 HA SER 64 6.001 22.126 -10.999 525 1HB SER 64 1HB SER 64 8.042 22.041 -12.108 526 2HB SER 64 2HB SER 64 7.406 21.044 -13.412 527 HG SER 64 HG SER 64 7.748 23.640 -13.411 528 H GLN 65 H GLN 65 4.390 20.163 -13.361 529 HA GLN 65 HA GLN 65 2.870 22.454 -14.478 530 1HB GLN 65 1HB GLN 65 2.677 19.478 -15.031 531 2HB GLN 65 2HB GLN 65 2.084 20.785 -16.057 532 1HG GLN 65 1HG GLN 65 4.936 21.022 -15.370 533 2HG GLN 65 2HG GLN 65 4.548 19.584 -16.316 534 1HE2 GLN 65 1HE2 GLN 65 5.380 20.325 -18.347 535 2HE2 GLN 65 2HE2 GLN 65 4.727 21.653 -19.178 536 H VAL 66 H VAL 66 2.590 20.262 -11.878 537 HA VAL 66 HA VAL 66 -0.301 20.961 -11.603 538 HB VAL 66 HB VAL 66 -0.712 18.565 -10.987 539 1HG1 VAL 66 1HG1 VAL 66 -1.221 18.156 -13.153 540 2HG1 VAL 66 2HG1 VAL 66 0.471 18.225 -13.646 541 3HG1 VAL 66 3HG1 VAL 66 -0.468 19.712 -13.501 542 1HG2 VAL 66 1HG2 VAL 66 2.168 18.529 -11.083 543 2HG2 VAL 66 2HG2 VAL 66 1.533 17.364 -12.247 544 3HG2 VAL 66 3HG2 VAL 66 1.070 17.257 -10.548 545 H LYS 67 H LYS 67 0.281 22.373 -9.848 546 HA LYS 67 HA LYS 67 1.918 21.439 -7.624 547 1HB LYS 67 1HB LYS 67 1.256 23.611 -6.659 548 2HB LYS 67 2HB LYS 67 1.724 23.806 -8.347 549 1HG LYS 67 1HG LYS 67 -0.713 23.649 -8.967 550 2HG LYS 67 2HG LYS 67 -1.096 23.673 -7.245 551 1HD LYS 67 1HD LYS 67 -0.996 25.917 -7.286 552 2HD LYS 67 2HD LYS 67 0.716 25.804 -7.694 553 1HE LYS 67 1HE LYS 67 -0.361 25.301 -10.134 554 2HE LYS 67 2HE LYS 67 -1.606 26.371 -9.460 555 1HZ LYS 67 1HZ LYS 67 0.744 27.481 -8.635 556 2HZ LYS 67 2HZ LYS 67 -0.213 28.033 -9.925 557 3HZ LYS 67 3HZ LYS 67 1.091 26.985 -10.220 558 H ILE 68 H ILE 68 1.126 19.877 -6.271 559 HA ILE 68 HA ILE 68 -1.794 19.626 -5.837 560 HB ILE 68 HB ILE 68 -0.151 17.850 -4.232 561 1HG1 ILE 68 1HG1 ILE 68 0.540 18.073 -7.179 562 2HG1 ILE 68 2HG1 ILE 68 1.649 18.183 -5.812 563 1HG2 ILE 68 1HG2 ILE 68 -1.493 16.816 -6.644 564 2HG2 ILE 68 2HG2 ILE 68 -2.528 17.782 -5.593 565 3HG2 ILE 68 3HG2 ILE 68 -1.703 16.360 -4.954 566 1HD1 ILE 68 1HD1 ILE 68 -0.002 15.711 -6.384 567 2HD1 ILE 68 2HD1 ILE 68 1.357 15.867 -5.272 568 3HD1 ILE 68 3HD1 ILE 68 1.629 15.940 -7.013 569 HA PRO 69 HA PRO 69 -1.968 21.664 -1.994 570 1HB PRO 69 1HB PRO 69 -3.245 19.916 -0.326 571 2HB PRO 69 2HB PRO 69 -4.086 20.831 -1.591 572 1HG PRO 69 1HG PRO 69 -3.278 17.990 -1.537 573 2HG PRO 69 2HG PRO 69 -4.663 18.760 -2.321 574 1HD PRO 69 1HD PRO 69 -2.334 17.945 -3.589 575 2HD PRO 69 2HD PRO 69 -3.523 19.086 -4.246 576 H LYS 70 H LYS 70 -1.451 21.138 0.514 577 HA LYS 70 HA LYS 70 1.232 19.880 0.500 578 1HB LYS 70 1HB LYS 70 -0.353 21.526 2.496 579 2HB LYS 70 2HB LYS 70 1.300 20.970 2.773 580 1HG LYS 70 1HG LYS 70 1.997 22.138 0.676 581 2HG LYS 70 2HG LYS 70 0.361 22.781 0.530 582 1HD LYS 70 1HD LYS 70 0.591 23.889 2.717 583 2HD LYS 70 2HD LYS 70 2.223 23.240 2.879 584 1HE LYS 70 1HE LYS 70 3.041 24.558 1.062 585 2HE LYS 70 2HE LYS 70 1.399 24.962 0.523 586 1HZ LYS 70 1HZ LYS 70 1.452 25.665 3.166 587 2HZ LYS 70 2HZ LYS 70 1.546 26.731 1.847 588 3HZ LYS 70 3HZ LYS 70 2.966 26.170 2.590 589 H THR 71 H THR 71 -1.933 18.910 1.163 590 HA THR 71 HA THR 71 -1.311 17.165 3.451 591 HB THR 71 HB THR 71 -3.727 17.399 1.622 592 HG1 THR 71 HG1 THR 71 -4.385 18.451 3.783 593 1HG2 THR 71 1HG2 THR 71 -4.908 16.351 3.566 594 2HG2 THR 71 2HG2 THR 71 -3.339 16.086 4.325 595 3HG2 THR 71 3HG2 THR 71 -3.731 15.279 2.808 596 H ILE 72 H ILE 72 -1.262 16.980 -0.018 597 HA ILE 72 HA ILE 72 -1.300 14.010 -0.027 598 HB ILE 72 HB ILE 72 -1.091 16.107 -2.211 599 1HG1 ILE 72 1HG1 ILE 72 -3.404 14.458 -1.145 600 2HG1 ILE 72 2HG1 ILE 72 -3.229 16.210 -1.052 601 1HG2 ILE 72 1HG2 ILE 72 -0.260 13.579 -2.500 602 2HG2 ILE 72 2HG2 ILE 72 -1.142 14.413 -3.779 603 3HG2 ILE 72 3HG2 ILE 72 -1.990 13.301 -2.704 604 1HD1 ILE 72 1HD1 ILE 72 -3.424 16.437 -3.435 605 2HD1 ILE 72 2HD1 ILE 72 -4.739 15.385 -2.915 606 3HD1 ILE 72 3HD1 ILE 72 -3.302 14.695 -3.669 607 H THR 73 H THR 73 0.660 13.185 0.638 608 HA THR 73 HA THR 73 3.192 14.516 -0.160 609 HB THR 73 HB THR 73 2.509 12.159 1.620 610 HG1 THR 73 HG1 THR 73 2.672 13.610 3.245 611 1HG2 THR 73 1HG2 THR 73 5.116 13.664 1.262 612 2HG2 THR 73 2HG2 THR 73 4.802 12.012 0.732 613 3HG2 THR 73 3HG2 THR 73 4.820 12.398 2.453 614 H VAL 74 H VAL 74 4.891 13.282 -1.212 615 HA VAL 74 HA VAL 74 4.013 10.765 -2.569 616 HB VAL 74 HB VAL 74 3.576 12.861 -3.912 617 1HG1 VAL 74 1HG1 VAL 74 5.798 13.877 -2.987 618 2HG1 VAL 74 2HG1 VAL 74 5.345 14.212 -4.658 619 3HG1 VAL 74 3HG1 VAL 74 6.558 12.983 -4.303 620 1HG2 VAL 74 1HG2 VAL 74 3.930 11.650 -5.798 621 2HG2 VAL 74 2HG2 VAL 74 4.528 10.401 -4.707 622 3HG2 VAL 74 3HG2 VAL 74 5.660 11.505 -5.488 623 H SER 75 H SER 75 5.556 9.271 -2.554 624 HA SER 75 HA SER 75 8.340 10.010 -1.743 625 1HB SER 75 1HB SER 75 6.522 8.108 -0.870 626 2HB SER 75 2HB SER 75 7.605 7.173 -1.898 627 HG SER 75 HG SER 75 8.869 8.981 -0.255 628 H THR 76 H THR 76 10.049 8.477 -2.759 629 HA THR 76 HA THR 76 9.516 8.274 -5.702 630 HB THR 76 HB THR 76 11.893 8.709 -5.942 631 HG1 THR 76 HG1 THR 76 13.121 8.001 -4.417 632 1HG2 THR 76 1HG2 THR 76 10.595 10.458 -3.838 633 2HG2 THR 76 2HG2 THR 76 10.581 10.705 -5.583 634 3HG2 THR 76 3HG2 THR 76 12.086 10.879 -4.682 635 H GLY 77 H GLY 77 10.036 6.309 -6.743 636 1HA GLY 77 1HA GLY 77 11.394 4.174 -5.238 637 2HA GLY 77 2HA GLY 77 9.701 3.860 -5.617 638 H PHE 78 H PHE 78 11.325 2.085 -6.724 639 HA PHE 78 HA PHE 78 11.269 2.793 -9.615 640 1HB PHE 78 1HB PHE 78 13.680 1.734 -8.100 641 2HB PHE 78 2HB PHE 78 13.605 1.989 -9.844 642 HD1 PHE 78 HD1 PHE 78 14.358 3.482 -6.689 643 HD2 PHE 78 HD2 PHE 78 12.971 4.385 -10.652 644 HE1 PHE 78 HE1 PHE 78 14.989 5.860 -6.367 645 HE2 PHE 78 HE2 PHE 78 13.600 6.763 -10.332 646 HZ PHE 78 HZ PHE 78 14.608 7.501 -8.189 647 H MET 79 H MET 79 10.952 0.939 -10.937 648 HA MET 79 HA MET 79 10.567 -1.644 -9.453 649 1HB MET 79 1HB MET 79 9.069 -0.340 -11.743 650 2HB MET 79 2HB MET 79 8.802 -2.013 -11.248 651 1HG MET 79 1HG MET 79 8.242 -1.243 -8.965 652 2HG MET 79 2HG MET 79 8.482 0.428 -9.476 653 1HE MET 79 1HE MET 79 4.722 -0.409 -8.785 654 2HE MET 79 2HE MET 79 5.479 -2.000 -8.830 655 3HE MET 79 3HE MET 79 6.294 -0.650 -8.027 656 H SER 80 H SER 80 10.554 -3.531 -11.187 657 HA SER 80 HA SER 80 12.642 -3.059 -13.275 658 1HB SER 80 1HB SER 80 13.719 -3.855 -11.205 659 2HB SER 80 2HB SER 80 12.612 -5.223 -11.145 660 HG SER 80 HG SER 80 14.086 -4.778 -13.481 661 H ILE 81 H ILE 81 11.419 -3.554 -15.085 662 HA ILE 81 HA ILE 81 9.461 -5.766 -15.020 663 HB ILE 81 HB ILE 81 9.111 -3.526 -16.119 664 1HG1 ILE 81 1HG1 ILE 81 8.872 -5.115 -18.495 665 2HG1 ILE 81 2HG1 ILE 81 8.521 -6.139 -17.103 666 1HG2 ILE 81 1HG2 ILE 81 11.629 -3.771 -17.021 667 2HG2 ILE 81 2HG2 ILE 81 10.425 -2.793 -17.858 668 3HG2 ILE 81 3HG2 ILE 81 10.777 -4.428 -18.418 669 1HD1 ILE 81 1HD1 ILE 81 6.455 -5.078 -17.790 670 2HD1 ILE 81 2HD1 ILE 81 7.219 -3.489 -17.783 671 3HD1 ILE 81 3HD1 ILE 81 6.963 -4.350 -16.266 672 1H MET 1 1H MET 1 15.506 -2.634 1.693 673 2H MET 1 2H MET 1 15.356 -1.118 2.448 674 3H MET 1 3H MET 1 16.365 -1.300 1.092 675 HA MET 1 HA MET 1 13.967 -0.280 0.849 676 1HB MET 1 1HB MET 1 15.713 -2.053 -0.805 677 2HB MET 1 2HB MET 1 14.132 -1.632 -1.466 678 1HG MET 1 1HG MET 1 14.679 0.574 -1.733 679 2HG MET 1 2HG MET 1 15.683 0.606 -0.283 680 1HE MET 1 1HE MET 1 16.829 -0.132 -4.589 681 2HE MET 1 2HE MET 1 15.376 -0.845 -3.891 682 3HE MET 1 3HE MET 1 15.593 0.910 -3.887 683 H THR 2 H THR 2 11.806 -0.940 0.472 684 HA THR 2 HA THR 2 11.105 -3.630 1.505 685 HB THR 2 HB THR 2 10.031 -1.478 2.262 686 HG1 THR 2 HG1 THR 2 8.981 -3.731 1.940 687 1HG2 THR 2 1HG2 THR 2 10.030 -0.802 -0.358 688 2HG2 THR 2 2HG2 THR 2 8.938 -0.078 0.826 689 3HG2 THR 2 3HG2 THR 2 8.379 -1.402 -0.198 690 HA PRO 3 HA PRO 3 10.925 -4.888 -2.792 691 1HB PRO 3 1HB PRO 3 10.084 -7.444 -2.315 692 2HB PRO 3 2HB PRO 3 11.779 -6.942 -2.161 693 1HG PRO 3 1HG PRO 3 9.744 -7.405 -0.054 694 2HG PRO 3 2HG PRO 3 11.485 -7.722 -0.038 695 1HD PRO 3 1HD PRO 3 10.284 -5.571 1.178 696 2HD PRO 3 2HD PRO 3 11.984 -5.623 0.676 697 H ILE 4 H ILE 4 9.114 -5.542 -4.209 698 HA ILE 4 HA ILE 4 6.407 -5.469 -2.957 699 HB ILE 4 HB ILE 4 5.774 -3.748 -4.683 700 1HG1 ILE 4 1HG1 ILE 4 8.420 -2.747 -5.181 701 2HG1 ILE 4 2HG1 ILE 4 8.349 -4.437 -5.685 702 1HG2 ILE 4 1HG2 ILE 4 7.044 -3.406 -2.244 703 2HG2 ILE 4 2HG2 ILE 4 6.243 -2.134 -3.169 704 3HG2 ILE 4 3HG2 ILE 4 7.983 -2.378 -3.328 705 1HD1 ILE 4 1HD1 ILE 4 6.691 -4.040 -7.267 706 2HD1 ILE 4 2HD1 ILE 4 7.596 -2.528 -7.349 707 3HD1 ILE 4 3HD1 ILE 4 6.093 -2.607 -6.430 708 H VAL 5 H VAL 5 5.306 -7.188 -3.800 709 HA VAL 5 HA VAL 5 6.215 -8.401 -6.350 710 HB VAL 5 HB VAL 5 4.252 -9.206 -4.183 711 1HG1 VAL 5 1HG1 VAL 5 5.329 -11.029 -6.324 712 2HG1 VAL 5 2HG1 VAL 5 3.880 -10.067 -6.618 713 3HG1 VAL 5 3HG1 VAL 5 3.906 -11.241 -5.302 714 1HG2 VAL 5 1HG2 VAL 5 6.140 -9.831 -3.118 715 2HG2 VAL 5 2HG2 VAL 5 7.128 -9.417 -4.519 716 3HG2 VAL 5 3HG2 VAL 5 6.393 -11.016 -4.399 717 H HIS 6 H HIS 6 5.092 -8.111 -8.238 718 HA HIS 6 HA HIS 6 2.428 -6.754 -8.104 719 1HB HIS 6 1HB HIS 6 4.828 -6.507 -9.682 720 2HB HIS 6 2HB HIS 6 3.471 -6.881 -10.744 721 HD1 HIS 6 HD1 HIS 6 3.623 -4.368 -11.620 722 HD2 HIS 6 HD2 HIS 6 2.562 -4.779 -7.609 723 HE1 HIS 6 HE1 HIS 6 2.680 -2.130 -10.895 724 H LEU 7 H LEU 7 0.681 -8.066 -8.494 725 HA LEU 7 HA LEU 7 1.133 -10.597 -10.040 726 1HB LEU 7 1HB LEU 7 0.357 -10.293 -7.469 727 2HB LEU 7 2HB LEU 7 -1.220 -10.230 -8.254 728 HG LEU 7 HG LEU 7 -0.228 -12.337 -9.564 729 1HD1 LEU 7 1HD1 LEU 7 1.611 -13.259 -8.649 730 2HD1 LEU 7 2HD1 LEU 7 0.868 -13.252 -7.050 731 3HD1 LEU 7 3HD1 LEU 7 1.752 -11.835 -7.617 732 1HD2 LEU 7 1HD2 LEU 7 -1.075 -13.568 -7.240 733 2HD2 LEU 7 2HD2 LEU 7 -2.141 -12.966 -8.511 734 3HD2 LEU 7 3HD2 LEU 7 -1.796 -11.964 -7.103 735 H LYS 8 H LYS 8 -0.120 -10.906 -11.871 736 HA LYS 8 HA LYS 8 -2.534 -9.178 -12.255 737 1HB LYS 8 1HB LYS 8 -0.811 -7.984 -13.380 738 2HB LYS 8 2HB LYS 8 -0.070 -9.467 -13.985 739 1HG LYS 8 1HG LYS 8 -2.005 -9.869 -15.438 740 2HG LYS 8 2HG LYS 8 -2.799 -8.426 -14.805 741 1HD LYS 8 1HD LYS 8 -1.723 -7.916 -16.950 742 2HD LYS 8 2HD LYS 8 -0.916 -7.043 -15.645 743 1HE LYS 8 1HE LYS 8 1.037 -8.002 -16.275 744 2HE LYS 8 2HE LYS 8 0.358 -9.587 -15.855 745 1HZ LYS 8 1HZ LYS 8 -0.045 -8.152 -18.427 746 2HZ LYS 8 2HZ LYS 8 -0.733 -9.650 -18.016 747 3HZ LYS 8 3HZ LYS 8 0.950 -9.507 -18.200 748 H GLY 9 H GLY 9 -3.887 -10.036 -14.109 749 1HA GLY 9 1HA GLY 9 -3.693 -12.267 -15.618 750 2HA GLY 9 2HA GLY 9 -3.906 -12.987 -14.023 751 H ASP 10 H ASP 10 -5.953 -13.872 -14.765 752 HA ASP 10 HA ASP 10 -8.118 -12.290 -15.777 753 1HB ASP 10 1HB ASP 10 -7.709 -14.965 -14.497 754 2HB ASP 10 2HB ASP 10 -9.362 -14.368 -14.650 755 H ALA 11 H ALA 11 -9.494 -10.921 -14.717 756 HA ALA 11 HA ALA 11 -9.140 -9.941 -12.118 757 1HB ALA 11 1HB ALA 11 -11.935 -10.003 -12.915 758 2HB ALA 11 2HB ALA 11 -10.830 -8.630 -12.850 759 3HB ALA 11 3HB ALA 11 -10.895 -9.643 -14.293 760 H ASN 12 H ASN 12 -11.795 -12.176 -13.042 761 HA ASN 12 HA ASN 12 -12.783 -12.822 -10.535 762 1HB ASN 12 1HB ASN 12 -13.190 -15.120 -11.666 763 2HB ASN 12 2HB ASN 12 -13.834 -13.690 -12.473 764 1HD2 ASN 12 1HD2 ASN 12 -13.145 -13.319 -14.603 765 2HD2 ASN 12 2HD2 ASN 12 -11.873 -14.154 -15.357 766 H THR 13 H THR 13 -10.006 -14.417 -12.145 767 HA THR 13 HA THR 13 -9.420 -16.327 -10.133 768 HB THR 13 HB THR 13 -7.590 -14.786 -12.002 769 HG1 THR 13 HG1 THR 13 -8.012 -16.455 -13.403 770 1HG2 THR 13 1HG2 THR 13 -6.080 -16.697 -11.777 771 2HG2 THR 13 2HG2 THR 13 -7.207 -17.482 -10.671 772 3HG2 THR 13 3HG2 THR 13 -6.391 -15.994 -10.190 773 H LEU 14 H LEU 14 -8.653 -12.882 -10.313 774 HA LEU 14 HA LEU 14 -6.688 -12.861 -8.191 775 1HB LEU 14 1HB LEU 14 -8.379 -10.901 -9.699 776 2HB LEU 14 2HB LEU 14 -7.554 -10.349 -8.242 777 HG LEU 14 HG LEU 14 -6.007 -11.922 -10.271 778 1HD1 LEU 14 1HD1 LEU 14 -5.426 -9.777 -11.406 779 2HD1 LEU 14 2HD1 LEU 14 -6.675 -8.969 -10.456 780 3HD1 LEU 14 3HD1 LEU 14 -7.120 -10.218 -11.620 781 1HD2 LEU 14 1HD2 LEU 14 -4.432 -11.408 -8.735 782 2HD2 LEU 14 2HD2 LEU 14 -5.526 -10.305 -7.900 783 3HD2 LEU 14 3HD2 LEU 14 -4.569 -9.732 -9.267 784 H LYS 15 H LYS 15 -10.206 -12.553 -8.296 785 HA LYS 15 HA LYS 15 -10.681 -11.548 -5.683 786 1HB LYS 15 1HB LYS 15 -12.158 -13.339 -7.609 787 2HB LYS 15 2HB LYS 15 -12.869 -12.903 -6.055 788 1HG LYS 15 1HG LYS 15 -11.812 -10.862 -8.026 789 2HG LYS 15 2HG LYS 15 -13.500 -11.371 -7.970 790 1HD LYS 15 1HD LYS 15 -13.056 -10.821 -5.339 791 2HD LYS 15 2HD LYS 15 -11.988 -9.643 -6.103 792 1HE LYS 15 1HE LYS 15 -13.746 -8.517 -7.139 793 2HE LYS 15 2HE LYS 15 -14.788 -9.955 -7.156 794 1HZ LYS 15 1HZ LYS 15 -14.192 -9.545 -4.513 795 2HZ LYS 15 2HZ LYS 15 -15.666 -9.187 -5.276 796 3HZ LYS 15 3HZ LYS 15 -14.479 -7.984 -5.110 797 H CYS 16 H CYS 16 -10.360 -14.932 -6.798 798 HA CYS 16 HA CYS 16 -10.813 -16.118 -4.206 799 1HB CYS 16 1HB CYS 16 -11.026 -17.132 -6.530 800 2HB CYS 16 2HB CYS 16 -9.265 -17.235 -6.558 801 HG CYS 16 HG CYS 16 -10.119 -19.491 -5.578 802 H LEU 17 H LEU 17 -7.850 -15.171 -5.959 803 HA LEU 17 HA LEU 17 -5.935 -16.380 -4.245 804 1HB LEU 17 1HB LEU 17 -5.833 -13.745 -5.753 805 2HB LEU 17 2HB LEU 17 -4.432 -14.665 -5.202 806 HG LEU 17 HG LEU 17 -6.507 -15.938 -6.980 807 1HD1 LEU 17 1HD1 LEU 17 -5.077 -13.678 -7.723 808 2HD1 LEU 17 2HD1 LEU 17 -5.769 -14.864 -8.830 809 3HD1 LEU 17 3HD1 LEU 17 -4.085 -15.003 -8.326 810 1HD2 LEU 17 1HD2 LEU 17 -3.667 -16.462 -6.141 811 2HD2 LEU 17 2HD2 LEU 17 -4.253 -17.104 -7.675 812 3HD2 LEU 17 3HD2 LEU 17 -5.040 -17.570 -6.165 813 H ARG 18 H ARG 18 -7.115 -12.994 -4.149 814 HA ARG 18 HA ARG 18 -5.834 -12.059 -1.874 815 1HB ARG 18 1HB ARG 18 -7.375 -10.801 -3.365 816 2HB ARG 18 2HB ARG 18 -8.742 -11.663 -2.653 817 1HG ARG 18 1HG ARG 18 -8.307 -10.706 -0.481 818 2HG ARG 18 2HG ARG 18 -6.788 -10.005 -1.038 819 1HD ARG 18 1HD ARG 18 -8.508 -8.258 -1.008 820 2HD ARG 18 2HD ARG 18 -8.112 -8.635 -2.697 821 HE ARG 18 HE ARG 18 -10.219 -10.358 -1.748 822 1HH1 ARG 18 1HH1 ARG 18 -9.649 -8.341 -4.201 823 2HH1 ARG 18 2HH1 ARG 18 -11.166 -7.505 -4.183 824 1HH2 ARG 18 1HH2 ARG 18 -12.129 -8.775 -1.103 825 2HH2 ARG 18 2HH2 ARG 18 -12.572 -7.752 -2.429 826 H TYR 19 H TYR 19 -8.489 -14.373 -2.040 827 HA TYR 19 HA TYR 19 -9.301 -14.275 0.710 828 1HB TYR 19 1HB TYR 19 -10.516 -15.332 -1.208 829 2HB TYR 19 2HB TYR 19 -9.290 -16.600 -1.243 830 HD1 TYR 19 HD1 TYR 19 -12.104 -15.161 0.651 831 HD2 TYR 19 HD2 TYR 19 -9.141 -18.270 0.533 832 HE1 TYR 19 HE1 TYR 19 -13.312 -16.379 2.444 833 HE2 TYR 19 HE2 TYR 19 -10.349 -19.489 2.326 834 HH TYR 19 HH TYR 19 -12.641 -19.614 3.241 835 H ARG 20 H ARG 20 -6.635 -15.878 -0.942 836 HA ARG 20 HA ARG 20 -5.942 -17.719 1.170 837 1HB ARG 20 1HB ARG 20 -4.455 -16.450 -1.147 838 2HB ARG 20 2HB ARG 20 -3.744 -17.700 -0.124 839 1HG ARG 20 1HG ARG 20 -5.777 -19.131 -0.654 840 2HG ARG 20 2HG ARG 20 -6.200 -17.931 -1.876 841 1HD ARG 20 1HD ARG 20 -4.111 -18.312 -3.063 842 2HD ARG 20 2HD ARG 20 -3.538 -19.393 -1.777 843 HE ARG 20 HE ARG 20 -6.101 -20.291 -2.688 844 1HH1 ARG 20 1HH1 ARG 20 -4.144 -19.549 -5.079 845 2HH1 ARG 20 2HH1 ARG 20 -3.601 -21.144 -5.482 846 1HH2 ARG 20 1HH2 ARG 20 -4.824 -22.582 -2.573 847 2HH2 ARG 20 2HH2 ARG 20 -3.986 -22.862 -4.063 848 H PHE 21 H PHE 21 -5.430 -14.308 0.693 849 HA PHE 21 HA PHE 21 -3.100 -13.947 2.339 850 1HB PHE 21 1HB PHE 21 -5.448 -12.182 1.581 851 2HB PHE 21 2HB PHE 21 -4.017 -11.583 2.417 852 HD1 PHE 21 HD1 PHE 21 -3.004 -14.255 0.371 853 HD2 PHE 21 HD2 PHE 21 -4.175 -10.125 0.159 854 HE1 PHE 21 HE1 PHE 21 -1.829 -14.032 -1.800 855 HE2 PHE 21 HE2 PHE 21 -2.997 -9.905 -2.013 856 HZ PHE 21 HZ PHE 21 -1.825 -11.858 -2.992 857 H LYS 22 H LYS 22 -6.583 -14.033 3.053 858 HA LYS 22 HA LYS 22 -6.447 -13.160 5.774 859 1HB LYS 22 1HB LYS 22 -8.353 -15.119 4.451 860 2HB LYS 22 2HB LYS 22 -8.687 -14.139 5.878 861 1HG LYS 22 1HG LYS 22 -8.294 -13.210 3.029 862 2HG LYS 22 2HG LYS 22 -9.688 -12.952 4.078 863 1HD LYS 22 1HD LYS 22 -8.379 -11.487 5.526 864 2HD LYS 22 2HD LYS 22 -6.926 -11.806 4.580 865 1HE LYS 22 1HE LYS 22 -9.408 -10.297 3.718 866 2HE LYS 22 2HE LYS 22 -7.727 -9.728 3.732 867 1HZ LYS 22 1HZ LYS 22 -8.955 -11.772 1.976 868 2HZ LYS 22 2HZ LYS 22 -7.273 -11.680 2.199 869 3HZ LYS 22 3HZ LYS 22 -8.116 -10.367 1.525 870 H LYS 23 H LYS 23 -6.214 -16.404 4.307 871 HA LYS 23 HA LYS 23 -5.981 -17.783 6.861 872 1HB LYS 23 1HB LYS 23 -5.290 -18.564 4.007 873 2HB LYS 23 2HB LYS 23 -5.425 -19.688 5.360 874 1HG LYS 23 1HG LYS 23 -7.652 -17.911 4.318 875 2HG LYS 23 2HG LYS 23 -7.511 -19.648 4.045 876 1HD LYS 23 1HD LYS 23 -7.250 -19.270 6.835 877 2HD LYS 23 2HD LYS 23 -8.607 -18.263 6.328 878 1HE LYS 23 1HE LYS 23 -8.409 -21.076 5.279 879 2HE LYS 23 2HE LYS 23 -9.049 -20.793 6.909 880 1HZ LYS 23 1HZ LYS 23 -10.784 -19.554 6.124 881 2HZ LYS 23 2HZ LYS 23 -10.608 -20.633 4.824 882 3HZ LYS 23 3HZ LYS 23 -9.961 -19.064 4.724 883 H HIS 24 H HIS 24 -3.924 -15.710 5.269 884 HA HIS 24 HA HIS 24 -1.557 -16.798 6.715 885 1HB HIS 24 1HB HIS 24 -1.620 -15.996 3.785 886 2HB HIS 24 2HB HIS 24 -0.216 -16.599 4.666 887 HD1 HIS 24 HD1 HIS 24 -0.933 -19.054 5.984 888 HD2 HIS 24 HD2 HIS 24 -2.777 -18.057 2.381 889 HE1 HIS 24 HE1 HIS 24 -1.857 -21.211 5.032 890 H CYS 25 H CYS 25 -3.338 -14.508 7.168 891 HA CYS 25 HA CYS 25 -2.367 -12.029 6.211 892 1HB CYS 25 1HB CYS 25 -4.377 -12.838 7.768 893 2HB CYS 25 2HB CYS 25 -3.268 -12.339 9.045 894 HG CYS 25 HG CYS 25 -3.147 -9.975 7.654 895 H THR 26 H THR 26 -0.705 -14.294 8.149 896 HA THR 26 HA THR 26 0.929 -12.233 9.524 897 HB THR 26 HB THR 26 1.859 -14.243 10.655 898 HG1 THR 26 HG1 THR 26 1.001 -16.254 10.091 899 1HG2 THR 26 1HG2 THR 26 -0.875 -15.044 10.943 900 2HG2 THR 26 2HG2 THR 26 -0.823 -13.292 10.739 901 3HG2 THR 26 3HG2 THR 26 0.098 -14.057 12.035 902 H LEU 27 H LEU 27 0.921 -13.511 6.496 903 HA LEU 27 HA LEU 27 3.830 -14.046 6.302 904 1HB LEU 27 1HB LEU 27 1.365 -14.449 4.686 905 2HB LEU 27 2HB LEU 27 2.857 -14.211 3.776 906 HG LEU 27 HG LEU 27 2.358 -16.299 5.916 907 1HD1 LEU 27 1HD1 LEU 27 2.371 -17.875 4.186 908 2HD1 LEU 27 2HD1 LEU 27 3.218 -16.796 3.078 909 3HD1 LEU 27 3HD1 LEU 27 1.515 -16.524 3.444 910 1HD2 LEU 27 1HD2 LEU 27 4.769 -16.876 4.687 911 2HD2 LEU 27 2HD2 LEU 27 4.593 -16.124 6.272 912 3HD2 LEU 27 3HD2 LEU 27 4.825 -15.120 4.841 913 H TYR 28 H TYR 28 1.432 -11.810 4.834 914 HA TYR 28 HA TYR 28 3.675 -10.058 3.940 915 1HB TYR 28 1HB TYR 28 1.821 -8.986 2.635 916 2HB TYR 28 2HB TYR 28 1.978 -10.710 2.303 917 HD1 TYR 28 HD1 TYR 28 0.096 -12.088 2.484 918 HD2 TYR 28 HD2 TYR 28 0.171 -8.338 4.580 919 HE1 TYR 28 HE1 TYR 28 -2.254 -12.440 3.196 920 HE2 TYR 28 HE2 TYR 28 -2.179 -8.690 5.292 921 HH TYR 28 HH TYR 28 -3.790 -11.714 4.887 922 H THR 29 H THR 29 3.311 -7.645 4.301 923 HA THR 29 HA THR 29 2.289 -7.208 7.067 924 HB THR 29 HB THR 29 3.964 -5.389 5.321 925 HG1 THR 29 HG1 THR 29 5.726 -6.447 6.062 926 1HG2 THR 29 1HG2 THR 29 4.654 -5.307 8.066 927 2HG2 THR 29 2HG2 THR 29 2.892 -5.267 7.988 928 3HG2 THR 29 3HG2 THR 29 3.840 -4.056 7.125 929 H ALA 30 H ALA 30 1.840 -6.128 3.725 930 HA ALA 30 HA ALA 30 -0.733 -4.899 4.470 931 1HB ALA 30 1HB ALA 30 0.951 -2.997 3.003 932 2HB ALA 30 2HB ALA 30 -0.040 -2.738 4.439 933 3HB ALA 30 3HB ALA 30 1.590 -3.389 4.600 934 H VAL 31 H VAL 31 -1.964 -5.838 2.875 935 HA VAL 31 HA VAL 31 -0.849 -6.235 0.159 936 HB VAL 31 HB VAL 31 -2.975 -7.478 -0.141 937 1HG1 VAL 31 1HG1 VAL 31 -1.674 -8.079 2.532 938 2HG1 VAL 31 2HG1 VAL 31 -1.000 -8.544 0.970 939 3HG1 VAL 31 3HG1 VAL 31 -2.538 -9.222 1.503 940 1HG2 VAL 31 1HG2 VAL 31 -4.772 -6.961 1.117 941 2HG2 VAL 31 2HG2 VAL 31 -3.804 -5.771 1.987 942 3HG2 VAL 31 3HG2 VAL 31 -3.900 -7.431 2.577 943 H SER 32 H SER 32 -1.611 -5.108 -1.665 944 HA SER 32 HA SER 32 -3.088 -2.596 -1.131 945 1HB SER 32 1HB SER 32 -2.389 -2.971 -3.876 946 2HB SER 32 2HB SER 32 -1.623 -1.906 -2.704 947 HG SER 32 HG SER 32 0.002 -3.217 -2.812 948 H SER 33 H SER 33 -5.107 -2.124 -2.078 949 HA SER 33 HA SER 33 -6.930 -4.256 -2.596 950 1HB SER 33 1HB SER 33 -8.342 -2.497 -2.419 951 2HB SER 33 2HB SER 33 -6.926 -1.462 -2.264 952 HG SER 33 HG SER 33 -8.302 -2.212 -4.631 953 H THR 34 H THR 34 -8.047 -4.684 -4.680 954 HA THR 34 HA THR 34 -6.216 -5.187 -6.845 955 HB THR 34 HB THR 34 -9.246 -5.102 -6.898 956 HG1 THR 34 HG1 THR 34 -9.022 -6.459 -5.305 957 1HG2 THR 34 1HG2 THR 34 -9.055 -6.766 -8.602 958 2HG2 THR 34 2HG2 THR 34 -7.335 -6.993 -8.283 959 3HG2 THR 34 3HG2 THR 34 -7.905 -5.499 -9.027 960 H TRP 35 H TRP 35 -5.686 -3.882 -8.562 961 HA TRP 35 HA TRP 35 -7.489 -1.638 -9.315 962 1HB TRP 35 1HB TRP 35 -5.689 -0.025 -9.076 963 2HB TRP 35 2HB TRP 35 -5.826 -0.909 -7.556 964 HD1 TRP 35 HD1 TRP 35 -3.913 -2.616 -6.933 965 HE1 TRP 35 HE1 TRP 35 -1.511 -2.929 -7.816 966 HE3 TRP 35 HE3 TRP 35 -4.190 0.135 -11.226 967 HZ2 TRP 35 HZ2 TRP 35 0.083 -2.118 -10.051 968 HZ3 TRP 35 HZ3 TRP 35 -2.217 0.349 -12.713 969 HH2 TRP 35 HH2 TRP 35 -0.083 -0.773 -12.130 970 H HIS 36 H HIS 36 -6.219 -0.471 -11.320 971 HA HIS 36 HA HIS 36 -4.626 -2.342 -12.931 972 1HB HIS 36 1HB HIS 36 -6.674 -3.386 -13.381 973 2HB HIS 36 2HB HIS 36 -7.574 -1.875 -13.290 974 HD1 HIS 36 HD1 HIS 36 -5.132 -3.688 -15.567 975 HD2 HIS 36 HD2 HIS 36 -7.903 -0.578 -15.738 976 HE1 HIS 36 HE1 HIS 36 -5.318 -3.027 -18.005 977 H TRP 37 H TRP 37 -4.401 -1.366 -15.241 978 HA TRP 37 HA TRP 37 -3.641 1.444 -14.973 979 1HB TRP 37 1HB TRP 37 -3.646 -0.595 -17.214 980 2HB TRP 37 2HB TRP 37 -3.023 1.041 -17.418 981 HD1 TRP 37 HD1 TRP 37 -1.756 -2.219 -16.795 982 HE1 TRP 37 HE1 TRP 37 0.460 -2.187 -15.480 983 HE3 TRP 37 HE3 TRP 37 -1.851 2.573 -15.023 984 HZ2 TRP 37 HZ2 TRP 37 1.992 -0.369 -13.887 985 HZ3 TRP 37 HZ3 TRP 37 -0.001 3.428 -13.610 986 HH2 TRP 37 HH2 TRP 37 1.918 1.963 -13.041 987 H THR 38 H THR 38 -5.499 2.744 -14.805 988 HA THR 38 HA THR 38 -7.496 2.530 -17.034 989 HB THR 38 HB THR 38 -8.979 3.683 -15.311 990 HG1 THR 38 HG1 THR 38 -7.133 2.825 -13.399 991 1HG2 THR 38 1HG2 THR 38 -8.787 1.147 -15.761 992 2HG2 THR 38 2HG2 THR 38 -9.529 1.646 -14.241 993 3HG2 THR 38 3HG2 THR 38 -7.856 1.086 -14.265 994 H GLY 39 H GLY 39 -8.643 4.839 -17.228 995 1HA GLY 39 1HA GLY 39 -7.111 7.200 -16.692 996 2HA GLY 39 2HA GLY 39 -6.789 6.658 -18.341 997 H HIS 40 H HIS 40 -8.304 7.105 -19.912 998 HA HIS 40 HA HIS 40 -10.871 8.359 -18.988 999 1HB HIS 40 1HB HIS 40 -8.874 9.583 -20.279 1000 2HB HIS 40 2HB HIS 40 -9.673 8.870 -21.682 1001 HD1 HIS 40 HD1 HIS 40 -11.021 10.552 -18.520 1002 HD2 HIS 40 HD2 HIS 40 -11.420 10.754 -22.664 1003 HE1 HIS 40 HE1 HIS 40 -12.766 12.328 -18.987 1004 H ASN 41 H ASN 41 -9.597 6.947 -22.035 1005 HA ASN 41 HA ASN 41 -12.235 5.629 -22.459 1006 1HB ASN 41 1HB ASN 41 -9.794 6.036 -24.222 1007 2HB ASN 41 2HB ASN 41 -11.327 5.350 -24.761 1008 1HD2 ASN 41 1HD2 ASN 41 -12.938 7.222 -23.056 1009 2HD2 ASN 41 2HD2 ASN 41 -12.847 8.731 -23.826 1010 H VAL 42 H VAL 42 -12.146 3.730 -21.187 1011 HA VAL 42 HA VAL 42 -10.016 1.773 -21.971 1012 HB VAL 42 HB VAL 42 -10.126 1.086 -19.503 1013 1HG1 VAL 42 1HG1 VAL 42 -9.181 3.902 -20.122 1014 2HG1 VAL 42 2HG1 VAL 42 -8.281 2.433 -20.500 1015 3HG1 VAL 42 3HG1 VAL 42 -8.596 2.867 -18.819 1016 1HG2 VAL 42 1HG2 VAL 42 -10.963 2.843 -17.963 1017 2HG2 VAL 42 2HG2 VAL 42 -12.257 2.209 -18.981 1018 3HG2 VAL 42 3HG2 VAL 42 -11.531 3.775 -19.348 1019 H LYS 43 H LYS 43 -11.113 0.121 -22.972 1020 HA LYS 43 HA LYS 43 -13.926 -0.415 -22.614 1021 1HB LYS 43 1HB LYS 43 -11.551 -1.708 -23.923 1022 2HB LYS 43 2HB LYS 43 -13.059 -2.614 -23.806 1023 1HG LYS 43 1HG LYS 43 -14.182 -1.204 -25.243 1024 2HG LYS 43 2HG LYS 43 -13.224 0.202 -24.779 1025 1HD LYS 43 1HD LYS 43 -12.439 -0.254 -26.943 1026 2HD LYS 43 2HD LYS 43 -11.251 -1.069 -25.924 1027 1HE LYS 43 1HE LYS 43 -12.808 -3.150 -26.154 1028 2HE LYS 43 2HE LYS 43 -13.481 -2.285 -27.550 1029 1HZ LYS 43 1HZ LYS 43 -11.061 -1.886 -28.182 1030 2HZ LYS 43 2HZ LYS 43 -11.673 -3.451 -28.424 1031 3HZ LYS 43 3HZ LYS 43 -10.683 -3.122 -27.084 1032 H HIS 44 H HIS 44 -11.446 -2.901 -22.127 1033 HA HIS 44 HA HIS 44 -12.068 -3.294 -19.299 1034 1HB HIS 44 1HB HIS 44 -13.355 -5.298 -19.539 1035 2HB HIS 44 2HB HIS 44 -14.064 -4.148 -20.671 1036 HD1 HIS 44 HD1 HIS 44 -13.382 -4.444 -23.233 1037 HD2 HIS 44 HD2 HIS 44 -12.258 -7.583 -20.731 1038 HE1 HIS 44 HE1 HIS 44 -12.803 -6.392 -24.742 1039 H LYS 45 H LYS 45 -10.108 -3.962 -18.524 1040 HA LYS 45 HA LYS 45 -8.399 -5.680 -20.292 1041 1HB LYS 45 1HB LYS 45 -7.659 -3.755 -18.065 1042 2HB LYS 45 2HB LYS 45 -6.525 -4.603 -19.116 1043 1HG LYS 45 1HG LYS 45 -8.663 -2.717 -20.143 1044 2HG LYS 45 2HG LYS 45 -7.003 -2.220 -19.812 1045 1HD LYS 45 1HD LYS 45 -6.281 -4.132 -21.360 1046 2HD LYS 45 2HD LYS 45 -7.969 -4.217 -21.863 1047 1HE LYS 45 1HE LYS 45 -7.246 -1.467 -21.935 1048 2HE LYS 45 2HE LYS 45 -5.952 -2.369 -22.748 1049 1HZ LYS 45 1HZ LYS 45 -8.754 -3.109 -23.239 1050 2HZ LYS 45 2HZ LYS 45 -7.400 -3.291 -24.249 1051 3HZ LYS 45 3HZ LYS 45 -8.111 -1.763 -24.045 1052 H SER 46 H SER 46 -6.728 -5.778 -17.614 1053 HA SER 46 HA SER 46 -8.355 -7.921 -16.289 1054 1HB SER 46 1HB SER 46 -6.216 -9.195 -16.150 1055 2HB SER 46 2HB SER 46 -6.691 -8.875 -17.815 1056 HG SER 46 HG SER 46 -4.424 -8.404 -17.127 1057 H ALA 47 H ALA 47 -8.791 -6.954 -14.321 1058 HA ALA 47 HA ALA 47 -7.536 -4.983 -12.894 1059 1HB ALA 47 1HB ALA 47 -8.564 -7.602 -11.757 1060 2HB ALA 47 2HB ALA 47 -8.499 -6.055 -10.915 1061 3HB ALA 47 3HB ALA 47 -9.592 -6.270 -12.283 1062 H ILE 48 H ILE 48 -5.917 -4.979 -11.182 1063 HA ILE 48 HA ILE 48 -4.038 -7.294 -11.127 1064 HB ILE 48 HB ILE 48 -3.151 -4.432 -11.568 1065 1HG1 ILE 48 1HG1 ILE 48 -3.465 -6.588 -13.680 1066 2HG1 ILE 48 2HG1 ILE 48 -4.624 -5.279 -13.447 1067 1HG2 ILE 48 1HG2 ILE 48 -1.801 -7.118 -11.982 1068 2HG2 ILE 48 2HG2 ILE 48 -1.478 -5.998 -10.659 1069 3HG2 ILE 48 3HG2 ILE 48 -1.072 -5.546 -12.315 1070 1HD1 ILE 48 1HD1 ILE 48 -2.803 -4.908 -15.227 1071 2HD1 ILE 48 2HD1 ILE 48 -1.681 -4.740 -13.876 1072 3HD1 ILE 48 3HD1 ILE 48 -3.033 -3.619 -14.045 1073 H VAL 49 H VAL 49 -2.375 -6.941 -9.324 1074 HA VAL 49 HA VAL 49 -3.247 -5.028 -7.222 1075 HB VAL 49 HB VAL 49 -4.320 -7.488 -7.250 1076 1HG1 VAL 49 1HG1 VAL 49 -2.002 -8.517 -7.185 1077 2HG1 VAL 49 2HG1 VAL 49 -3.089 -9.058 -5.905 1078 3HG1 VAL 49 3HG1 VAL 49 -1.839 -7.865 -5.554 1079 1HG2 VAL 49 1HG2 VAL 49 -4.558 -5.545 -5.581 1080 2HG2 VAL 49 2HG2 VAL 49 -3.295 -6.346 -4.647 1081 3HG2 VAL 49 3HG2 VAL 49 -4.825 -7.171 -4.950 1082 H THR 50 H THR 50 -1.651 -5.473 -5.216 1083 HA THR 50 HA THR 50 1.071 -6.228 -6.161 1084 HB THR 50 HB THR 50 0.291 -3.545 -4.969 1085 HG1 THR 50 HG1 THR 50 0.914 -2.798 -7.036 1086 1HG2 THR 50 1HG2 THR 50 2.450 -3.479 -4.328 1087 2HG2 THR 50 2HG2 THR 50 2.860 -3.413 -6.042 1088 3HG2 THR 50 3HG2 THR 50 2.823 -4.964 -5.203 1089 H LEU 51 H LEU 51 2.549 -6.596 -4.323 1090 HA LEU 51 HA LEU 51 1.190 -6.708 -1.655 1091 1HB LEU 51 1HB LEU 51 2.600 -8.832 -3.261 1092 2HB LEU 51 2HB LEU 51 2.556 -8.941 -1.501 1093 HG LEU 51 HG LEU 51 -0.042 -8.301 -2.735 1094 1HD1 LEU 51 1HD1 LEU 51 0.339 -9.819 -4.437 1095 2HD1 LEU 51 2HD1 LEU 51 -0.187 -10.932 -3.175 1096 3HD1 LEU 51 3HD1 LEU 51 1.532 -10.723 -3.505 1097 1HD2 LEU 51 1HD2 LEU 51 0.740 -10.558 -0.874 1098 2HD2 LEU 51 2HD2 LEU 51 -0.838 -9.788 -1.041 1099 3HD2 LEU 51 3HD2 LEU 51 0.500 -8.907 -0.304 1100 H THR 52 H THR 52 2.433 -5.665 -0.158 1101 HA THR 52 HA THR 52 5.284 -5.095 -0.794 1102 HB THR 52 HB THR 52 4.537 -3.805 1.570 1103 HG1 THR 52 HG1 THR 52 2.400 -3.746 -0.288 1104 1HG2 THR 52 1HG2 THR 52 5.778 -2.779 -0.250 1105 2HG2 THR 52 2HG2 THR 52 4.334 -1.817 0.065 1106 3HG2 THR 52 3HG2 THR 52 4.382 -2.908 -1.319 1107 H TYR 53 H TYR 53 6.936 -6.041 0.355 1108 HA TYR 53 HA TYR 53 6.195 -7.709 2.739 1109 1HB TYR 53 1HB TYR 53 8.070 -8.091 0.408 1110 2HB TYR 53 2HB TYR 53 8.314 -8.988 1.907 1111 HD1 TYR 53 HD1 TYR 53 5.994 -8.387 -0.915 1112 HD2 TYR 53 HD2 TYR 53 6.794 -10.738 2.591 1113 HE1 TYR 53 HE1 TYR 53 4.229 -9.994 -1.591 1114 HE2 TYR 53 HE2 TYR 53 5.030 -12.345 1.916 1115 HH TYR 53 HH TYR 53 3.133 -11.849 -1.067 1116 H ASP 54 H ASP 54 7.803 -7.773 4.449 1117 HA ASP 54 HA ASP 54 9.311 -5.258 4.726 1118 1HB ASP 54 1HB ASP 54 7.999 -6.095 6.582 1119 2HB ASP 54 2HB ASP 54 8.798 -7.666 6.498 1120 H SER 55 H SER 55 9.975 -8.409 3.572 1121 HA SER 55 HA SER 55 12.853 -7.801 3.416 1122 1HB SER 55 1HB SER 55 12.252 -10.405 4.712 1123 2HB SER 55 2HB SER 55 13.573 -9.280 5.015 1124 HG SER 55 HG SER 55 11.374 -9.587 6.412 1125 H GLU 56 H GLU 56 13.911 -9.140 1.859 1126 HA GLU 56 HA GLU 56 12.296 -10.233 -0.239 1127 1HB GLU 56 1HB GLU 56 15.202 -10.301 0.562 1128 2HB GLU 56 2HB GLU 56 14.648 -11.222 -0.837 1129 1HG GLU 56 1HG GLU 56 13.501 -8.984 -1.545 1130 2HG GLU 56 2HG GLU 56 14.637 -8.244 -0.417 1131 H TRP 57 H TRP 57 14.036 -11.747 2.473 1132 HA TRP 57 HA TRP 57 13.777 -14.469 1.797 1133 1HB TRP 57 1HB TRP 57 15.042 -13.598 3.704 1134 2HB TRP 57 2HB TRP 57 13.554 -13.040 4.468 1135 HD1 TRP 57 HD1 TRP 57 12.702 -14.626 6.250 1136 HE1 TRP 57 HE1 TRP 57 12.803 -17.167 6.673 1137 HE3 TRP 57 HE3 TRP 57 15.296 -16.106 2.107 1138 HZ2 TRP 57 HZ2 TRP 57 13.846 -19.518 5.419 1139 HZ3 TRP 57 HZ3 TRP 57 15.830 -18.499 1.746 1140 HH2 TRP 57 HH2 TRP 57 15.109 -20.205 3.395 1141 H GLN 58 H GLN 58 11.508 -12.481 3.720 1142 HA GLN 58 HA GLN 58 9.480 -14.413 4.089 1143 1HB GLN 58 1HB GLN 58 9.924 -11.897 4.878 1144 2HB GLN 58 2HB GLN 58 8.785 -11.549 3.576 1145 1HG GLN 58 1HG GLN 58 7.085 -12.907 4.575 1146 2HG GLN 58 2HG GLN 58 8.224 -13.597 5.732 1147 1HE2 GLN 58 1HE2 GLN 58 5.862 -12.277 6.642 1148 2HE2 GLN 58 2HE2 GLN 58 6.311 -10.839 7.424 1149 H ARG 59 H ARG 59 10.075 -12.252 1.323 1150 HA ARG 59 HA ARG 59 7.629 -12.650 -0.077 1151 1HB ARG 59 1HB ARG 59 9.232 -10.939 -0.675 1152 2HB ARG 59 2HB ARG 59 10.479 -12.150 -0.983 1153 1HG ARG 59 1HG ARG 59 8.953 -13.110 -2.770 1154 2HG ARG 59 2HG ARG 59 7.941 -11.680 -2.565 1155 1HD ARG 59 1HD ARG 59 9.427 -11.144 -4.368 1156 2HD ARG 59 2HD ARG 59 10.111 -10.318 -2.955 1157 HE ARG 59 HE ARG 59 11.699 -12.205 -2.721 1158 1HH1 ARG 59 1HH2 ARG 59 10.110 -14.190 -4.364 1159 2HH1 ARG 59 2HH2 ARG 59 11.034 -14.244 -5.829 1160 1HH2 ARG 59 1HH1 ARG 59 12.777 -11.326 -5.148 1161 2HH2 ARG 59 2HH1 ARG 59 12.542 -12.620 -6.273 1162 H ASP 60 H ASP 60 10.725 -14.435 -0.415 1163 HA ASP 60 HA ASP 60 9.835 -16.287 -2.384 1164 1HB ASP 60 1HB ASP 60 12.171 -15.935 -1.840 1165 2HB ASP 60 2HB ASP 60 11.905 -16.450 -0.174 1166 H GLN 61 H GLN 61 9.530 -16.340 1.150 1167 HA GLN 61 HA GLN 61 8.718 -19.080 1.416 1168 1HB GLN 61 1HB GLN 61 8.113 -16.593 3.050 1169 2HB GLN 61 2HB GLN 61 7.878 -18.248 3.613 1170 1HG GLN 61 1HG GLN 61 10.336 -18.650 3.118 1171 2HG GLN 61 2HG GLN 61 10.490 -16.911 2.868 1172 1HE2 GLN 61 1HE2 GLN 61 10.808 -15.645 4.720 1173 2HE2 GLN 61 2HE2 GLN 61 10.608 -16.201 6.311 1174 H PHE 62 H PHE 62 6.797 -16.072 1.130 1175 HA PHE 62 HA PHE 62 4.208 -17.188 1.282 1176 1HB PHE 62 1HB PHE 62 4.322 -14.858 1.318 1177 2HB PHE 62 2HB PHE 62 5.504 -14.797 0.012 1178 HD1 PHE 62 HD1 PHE 62 1.968 -14.809 0.874 1179 HD2 PHE 62 HD2 PHE 62 4.777 -15.233 -2.350 1180 HE1 PHE 62 HE1 PHE 62 0.145 -14.432 -0.765 1181 HE2 PHE 62 HE2 PHE 62 2.954 -14.856 -3.988 1182 HZ PHE 62 HZ PHE 62 0.638 -14.454 -3.196 1183 H LEU 63 H LEU 63 6.321 -16.744 -1.567 1184 HA LEU 63 HA LEU 63 4.519 -17.677 -3.557 1185 1HB LEU 63 1HB LEU 63 7.536 -17.865 -3.293 1186 2HB LEU 63 2HB LEU 63 6.654 -18.123 -4.797 1187 HG LEU 63 HG LEU 63 6.448 -15.581 -3.163 1188 1HD1 LEU 63 1HD1 LEU 63 8.585 -15.254 -3.893 1189 2HD1 LEU 63 2HD1 LEU 63 7.800 -14.896 -5.431 1190 3HD1 LEU 63 3HD1 LEU 63 8.458 -16.504 -5.130 1191 1HD2 LEU 63 1HD2 LEU 63 4.884 -14.975 -4.677 1192 2HD2 LEU 63 2HD2 LEU 63 4.900 -16.639 -5.259 1193 3HD2 LEU 63 3HD2 LEU 63 5.934 -15.430 -6.020 1194 H SER 64 H SER 64 6.674 -19.464 -1.369 1195 HA SER 64 HA SER 64 6.194 -22.049 -2.640 1196 1HB SER 64 1HB SER 64 8.226 -21.931 -1.517 1197 2HB SER 64 2HB SER 64 7.565 -20.947 -0.214 1198 HG SER 64 HG SER 64 7.966 -23.523 -0.196 1199 H GLN 65 H GLN 65 4.534 -20.106 -0.296 1200 HA GLN 65 HA GLN 65 3.043 -22.421 0.816 1201 1HB GLN 65 1HB GLN 65 2.803 -19.446 1.360 1202 2HB GLN 65 2HB GLN 65 2.212 -20.758 2.379 1203 1HG GLN 65 1HG GLN 65 5.074 -20.965 1.733 1204 2HG GLN 65 2HG GLN 65 4.658 -19.527 2.668 1205 1HE2 GLN 65 1HE2 GLN 65 5.495 -20.268 4.705 1206 2HE2 GLN 65 2HE2 GLN 65 4.837 -21.593 5.537 1207 H VAL 66 H VAL 66 2.749 -20.227 -1.785 1208 HA VAL 66 HA VAL 66 -0.127 -20.979 -2.081 1209 HB VAL 66 HB VAL 66 -0.575 -18.592 -2.703 1210 1HG1 VAL 66 1HG1 VAL 66 -1.108 -18.179 -0.542 1211 2HG1 VAL 66 2HG1 VAL 66 0.578 -18.239 -0.032 1212 3HG1 VAL 66 3HG1 VAL 66 -0.349 -19.730 -0.188 1213 1HG2 VAL 66 1HG2 VAL 66 2.292 -18.507 -2.607 1214 2HG2 VAL 66 2HG2 VAL 66 1.655 -17.375 -1.414 1215 3HG2 VAL 66 3HG2 VAL 66 1.177 -17.235 -3.106 1216 H LYS 67 H LYS 67 0.482 -22.375 -3.840 1217 HA LYS 67 HA LYS 67 2.124 -21.409 -6.048 1218 1HB LYS 67 1HB LYS 67 1.499 -23.587 -7.025 1219 2HB LYS 67 2HB LYS 67 1.961 -23.779 -5.335 1220 1HG LYS 67 1HG LYS 67 -0.488 -23.650 -4.735 1221 2HG LYS 67 2HG LYS 67 -0.851 -23.691 -6.460 1222 1HD LYS 67 1HD LYS 67 -0.730 -25.933 -6.391 1223 2HD LYS 67 2HD LYS 67 0.983 -25.789 -5.999 1224 1HE LYS 67 1HE LYS 67 -0.059 -25.295 -3.551 1225 2HE LYS 67 2HE LYS 67 -1.320 -26.360 -4.203 1226 1HZ LYS 67 1HZ LYS 67 1.025 -27.470 -5.062 1227 2HZ LYS 67 2HZ LYS 67 0.071 -28.034 -3.775 1228 3HZ LYS 67 3HZ LYS 67 1.376 -26.990 -3.473 1229 H ILE 68 H ILE 68 1.322 -19.852 -7.397 1230 HA ILE 68 HA ILE 68 -1.596 -19.641 -7.864 1231 HB ILE 68 HB ILE 68 0.056 -17.850 -9.449 1232 1HG1 ILE 68 1HG1 ILE 68 0.676 -18.045 -6.484 1233 2HG1 ILE 68 2HG1 ILE 68 1.821 -18.155 -7.822 1234 1HG2 ILE 68 1HG2 ILE 68 -1.348 -16.811 -7.081 1235 2HG2 ILE 68 2HG2 ILE 68 -2.351 -17.815 -8.130 1236 3HG2 ILE 68 3HG2 ILE 68 -1.543 -16.390 -8.782 1237 1HD1 ILE 68 1HD1 ILE 68 0.135 -15.696 -7.299 1238 2HD1 ILE 68 2HD1 ILE 68 1.507 -15.845 -8.396 1239 3HD1 ILE 68 3HD1 ILE 68 1.761 -15.904 -6.651 1240 HA PRO 69 HA PRO 69 -1.699 -21.695 -11.703 1241 1HB PRO 69 1HB PRO 69 -2.978 -19.971 -13.393 1242 2HB PRO 69 2HB PRO 69 -3.824 -20.892 -12.134 1243 1HG PRO 69 1HG PRO 69 -3.045 -18.041 -12.185 1244 2HG PRO 69 2HG PRO 69 -4.437 -18.822 -11.426 1245 1HD PRO 69 1HD PRO 69 -2.147 -17.981 -10.113 1246 2HD PRO 69 2HD PRO 69 -3.328 -19.145 -9.481 1247 H LYS 70 H LYS 70 -1.187 -21.127 -14.223 1248 HA LYS 70 HA LYS 70 1.489 -19.846 -14.174 1249 1HB LYS 70 1HB LYS 70 -0.044 -21.509 -16.194 1250 2HB LYS 70 2HB LYS 70 1.605 -20.934 -16.442 1251 1HG LYS 70 1HG LYS 70 2.283 -22.102 -14.339 1252 2HG LYS 70 2HG LYS 70 0.651 -22.759 -14.217 1253 1HD LYS 70 1HD LYS 70 0.919 -23.866 -16.398 1254 2HD LYS 70 2HD LYS 70 2.543 -23.194 -16.548 1255 1HE LYS 70 1HE LYS 70 3.370 -24.507 -14.736 1256 2HE LYS 70 2HE LYS 70 1.732 -24.925 -14.196 1257 1HZ LYS 70 1HZ LYS 70 1.745 -25.644 -16.815 1258 2HZ LYS 70 2HZ LYS 70 1.939 -26.707 -15.506 1259 3HZ LYS 70 3HZ LYS 70 3.301 -26.085 -16.307 1260 H THR 71 H THR 71 -1.679 -18.917 -14.855 1261 HA THR 71 HA THR 71 -1.071 -17.170 -17.145 1262 HB THR 71 HB THR 71 -3.489 -17.418 -15.321 1263 HG1 THR 71 HG1 THR 71 -4.127 -18.492 -17.484 1264 1HG2 THR 71 1HG2 THR 71 -4.673 -16.408 -17.288 1265 2HG2 THR 71 2HG2 THR 71 -3.099 -16.120 -18.029 1266 3HG2 THR 71 3HG2 THR 71 -3.525 -15.313 -16.520 1267 H ILE 72 H ILE 72 -1.037 -16.981 -13.678 1268 HA ILE 72 HA ILE 72 -1.107 -14.014 -13.681 1269 HB ILE 72 HB ILE 72 -0.916 -16.108 -11.495 1270 1HG1 ILE 72 1HG1 ILE 72 -3.210 -14.436 -12.566 1271 2HG1 ILE 72 2HG1 ILE 72 -3.045 -16.189 -12.680 1272 1HG2 ILE 72 1HG2 ILE 72 -0.076 -13.582 -11.196 1273 2HG2 ILE 72 2HG2 ILE 72 -0.962 -14.421 -9.923 1274 3HG2 ILE 72 3HG2 ILE 72 -1.806 -13.303 -10.996 1275 1HD1 ILE 72 1HD1 ILE 72 -3.267 -16.452 -10.307 1276 2HD1 ILE 72 2HD1 ILE 72 -4.562 -15.368 -10.814 1277 3HD1 ILE 72 3HD1 ILE 72 -3.119 -14.714 -10.040 1278 H THR 73 H THR 73 0.845 -13.166 -14.322 1279 HA THR 73 HA THR 73 3.386 -14.464 -13.502 1280 HB THR 73 HB THR 73 2.685 -12.112 -15.281 1281 HG1 THR 73 HG1 THR 73 2.880 -13.556 -16.905 1282 1HG2 THR 73 1HG2 THR 73 5.315 -13.583 -14.934 1283 2HG2 THR 73 2HG2 THR 73 4.971 -11.959 -14.338 1284 3HG2 THR 73 3HG2 THR 73 5.004 -12.274 -16.074 1285 H VAL 74 H VAL 74 5.056 -13.210 -12.423 1286 HA VAL 74 HA VAL 74 4.123 -10.714 -11.062 1287 HB VAL 74 HB VAL 74 3.705 -12.825 -9.740 1288 1HG1 VAL 74 1HG1 VAL 74 5.956 -13.797 -10.658 1289 2HG1 VAL 74 2HG1 VAL 74 5.474 -14.171 -9.003 1290 3HG1 VAL 74 3HG1 VAL 74 6.681 -12.923 -9.309 1291 1HG2 VAL 74 1HG2 VAL 74 4.005 -11.605 -7.854 1292 2HG2 VAL 74 2HG2 VAL 74 4.655 -10.358 -8.918 1293 3HG2 VAL 74 3HG2 VAL 74 5.745 -11.484 -8.109 1294 H SER 75 H SER 75 5.642 -9.193 -11.057 1295 HA SER 75 HA SER 75 8.444 -9.878 -11.853 1296 1HB SER 75 1HB SER 75 6.563 -7.957 -12.652 1297 2HB SER 75 2HB SER 75 7.744 -7.055 -11.707 1298 HG SER 75 HG SER 75 9.107 -8.725 -13.206 1299 H THR 76 H THR 76 10.133 -8.363 -10.808 1300 HA THR 76 HA THR 76 9.573 -8.159 -7.871 1301 HB THR 76 HB THR 76 11.958 -8.547 -7.620 1302 HG1 THR 76 HG1 THR 76 13.188 -7.844 -9.146 1303 1HG2 THR 76 1HG2 THR 76 10.671 -10.323 -9.705 1304 2HG2 THR 76 2HG2 THR 76 10.712 -10.574 -7.960 1305 3HG2 THR 76 3HG2 THR 76 12.194 -10.712 -8.905 1306 H GLY 77 H GLY 77 10.088 -6.185 -6.819 1307 1HA GLY 77 1HA GLY 77 11.413 -4.032 -8.321 1308 2HA GLY 77 2HA GLY 77 9.708 -3.744 -7.968 1309 H PHE 78 H PHE 78 11.280 -1.935 -6.846 1310 HA PHE 78 HA PHE 78 11.205 -2.638 -3.955 1311 1HB PHE 78 1HB PHE 78 13.611 -1.539 -5.448 1312 2HB PHE 78 2HB PHE 78 13.525 -1.799 -3.705 1313 HD1 PHE 78 HD1 PHE 78 14.338 -3.273 -6.851 1314 HD2 PHE 78 HD2 PHE 78 12.901 -4.208 -2.912 1315 HE1 PHE 78 HE1 PHE 78 14.999 -5.642 -7.172 1316 HE2 PHE 78 HE2 PHE 78 13.562 -6.577 -3.232 1317 HZ PHE 78 HZ PHE 78 14.612 -7.294 -5.362 1318 H MET 79 H MET 79 10.871 -0.791 -2.634 1319 HA MET 79 HA MET 79 10.446 1.783 -4.122 1320 1HB MET 79 1HB MET 79 8.946 0.455 -1.847 1321 2HB MET 79 2HB MET 79 8.658 2.124 -2.343 1322 1HG MET 79 1HG MET 79 8.127 1.352 -4.629 1323 2HG MET 79 2HG MET 79 8.402 -0.317 -4.128 1324 1HE MET 79 1HE MET 79 4.609 0.489 -4.820 1325 2HE MET 79 2HE MET 79 5.384 2.070 -4.776 1326 3HE MET 79 3HE MET 79 6.180 0.713 -5.584 1327 H SER 80 H SER 80 10.368 3.662 -2.364 1328 HA SER 80 HA SER 80 12.461 3.220 -0.276 1329 1HB SER 80 1HB SER 80 13.516 4.038 -2.353 1330 2HB SER 80 2HB SER 80 12.397 5.396 -2.394 1331 HG SER 80 HG SER 80 13.891 4.943 -0.070 1332 H ILE 81 H ILE 81 11.221 3.692 1.531 1333 HA ILE 81 HA ILE 81 9.247 5.890 1.469 1334 HB ILE 81 HB ILE 81 8.913 3.635 2.555 1335 1HG1 ILE 81 1HG1 ILE 81 8.625 5.234 4.923 1336 2HG1 ILE 81 2HG1 ILE 81 8.263 6.235 3.516 1337 1HG2 ILE 81 1HG2 ILE 81 11.412 3.902 3.497 1338 2HG2 ILE 81 2HG2 ILE 81 10.202 2.924 4.328 1339 3HG2 ILE 81 3HG2 ILE 81 10.537 4.566 4.877 1340 1HD1 ILE 81 1HD1 ILE 81 6.215 5.136 4.210 1341 2HD1 ILE 81 2HD1 ILE 81 7.012 3.563 4.209 1342 3HD1 ILE 81 3HD1 ILE 81 6.742 4.418 2.689 Start of MODEL 10 1 1H MET 1 1H MET 1 16.541 1.556 -14.578 2 2H MET 1 2H MET 1 15.646 1.356 -16.009 3 3H MET 1 3H MET 1 16.481 0.038 -15.335 4 HA MET 1 HA MET 1 14.468 -0.484 -14.472 5 1HB MET 1 1HB MET 1 15.476 1.794 -12.735 6 2HB MET 1 2HB MET 1 14.312 0.574 -12.216 7 1HG MET 1 1HG MET 1 16.506 -0.823 -13.350 8 2HG MET 1 2HG MET 1 17.182 0.399 -12.273 9 1HE MET 1 1HE MET 1 17.433 0.308 -10.093 10 2HE MET 1 2HE MET 1 15.781 0.776 -9.694 11 3HE MET 1 3HE MET 1 16.541 -0.589 -8.866 12 H THR 2 H THR 2 12.656 1.124 -12.960 13 HA THR 2 HA THR 2 11.621 3.054 -15.009 14 HB THR 2 HB THR 2 9.600 1.595 -13.470 15 HG1 THR 2 HG1 THR 2 10.386 -0.180 -15.240 16 1HG2 THR 2 1HG2 THR 2 9.111 2.923 -15.472 17 2HG2 THR 2 2HG2 THR 2 8.697 1.230 -15.749 18 3HG2 THR 2 3HG2 THR 2 10.181 1.898 -16.429 19 HA PRO 3 HA PRO 3 10.949 5.326 -11.274 20 1HB PRO 3 1HB PRO 3 10.047 7.653 -12.390 21 2HB PRO 3 2HB PRO 3 11.744 7.141 -12.466 22 1HG PRO 3 1HG PRO 3 9.622 6.972 -14.538 23 2HG PRO 3 2HG PRO 3 11.346 7.329 -14.712 24 1HD PRO 3 1HD PRO 3 10.237 4.898 -15.276 25 2HD PRO 3 2HD PRO 3 11.927 5.130 -14.798 26 H ILE 4 H ILE 4 9.226 5.853 -9.871 27 HA ILE 4 HA ILE 4 6.458 5.854 -10.984 28 HB ILE 4 HB ILE 4 5.839 4.163 -9.262 29 1HG1 ILE 4 1HG1 ILE 4 8.637 3.359 -8.799 30 2HG1 ILE 4 2HG1 ILE 4 8.206 4.904 -8.065 31 1HG2 ILE 4 1HG2 ILE 4 8.151 2.961 -10.733 32 2HG2 ILE 4 2HG2 ILE 4 6.852 3.691 -11.678 33 3HG2 ILE 4 3HG2 ILE 4 6.498 2.368 -10.567 34 1HD1 ILE 4 1HD1 ILE 4 7.625 2.351 -7.053 35 2HD1 ILE 4 2HD1 ILE 4 6.091 2.952 -7.682 36 3HD1 ILE 4 3HD1 ILE 4 6.976 3.885 -6.474 37 H VAL 5 H VAL 5 4.871 6.532 -9.217 38 HA VAL 5 HA VAL 5 6.126 8.086 -7.005 39 HB VAL 5 HB VAL 5 4.517 9.106 -9.343 40 1HG1 VAL 5 1HG1 VAL 5 4.263 11.245 -8.064 41 2HG1 VAL 5 2HG1 VAL 5 4.839 10.409 -6.623 42 3HG1 VAL 5 3HG1 VAL 5 3.325 9.916 -7.381 43 1HG2 VAL 5 1HG2 VAL 5 7.055 9.981 -7.932 44 2HG2 VAL 5 2HG2 VAL 5 6.302 10.871 -9.255 45 3HG2 VAL 5 3HG2 VAL 5 6.936 9.249 -9.531 46 H HIS 6 H HIS 6 4.911 7.841 -5.166 47 HA HIS 6 HA HIS 6 2.146 6.729 -5.440 48 1HB HIS 6 1HB HIS 6 4.440 6.454 -3.580 49 2HB HIS 6 2HB HIS 6 2.849 6.457 -2.819 50 HD1 HIS 6 HD1 HIS 6 3.033 3.898 -2.293 51 HD2 HIS 6 HD2 HIS 6 3.166 4.815 -6.359 52 HE1 HIS 6 HE1 HIS 6 2.711 1.712 -3.533 53 H LEU 7 H LEU 7 0.479 8.128 -4.986 54 HA LEU 7 HA LEU 7 1.083 10.509 -3.258 55 1HB LEU 7 1HB LEU 7 -0.270 11.801 -4.724 56 2HB LEU 7 2HB LEU 7 0.678 10.773 -5.797 57 HG LEU 7 HG LEU 7 -1.430 9.141 -5.397 58 1HD1 LEU 7 1HD1 LEU 7 -2.530 11.964 -5.207 59 2HD1 LEU 7 2HD1 LEU 7 -2.592 10.747 -3.933 60 3HD1 LEU 7 3HD1 LEU 7 -3.498 10.505 -5.426 61 1HD2 LEU 7 1HD2 LEU 7 -2.221 11.046 -7.405 62 2HD2 LEU 7 2HD2 LEU 7 -1.502 9.450 -7.629 63 3HD2 LEU 7 3HD2 LEU 7 -0.467 10.865 -7.444 64 H LYS 8 H LYS 8 -0.499 11.059 -1.707 65 HA LYS 8 HA LYS 8 -2.901 9.281 -1.506 66 1HB LYS 8 1HB LYS 8 -0.791 8.612 -0.155 67 2HB LYS 8 2HB LYS 8 -1.149 10.021 0.841 68 1HG LYS 8 1HG LYS 8 -3.571 8.986 0.922 69 2HG LYS 8 2HG LYS 8 -2.730 7.494 0.502 70 1HD LYS 8 1HD LYS 8 -2.108 9.279 2.873 71 2HD LYS 8 2HD LYS 8 -2.899 7.704 2.941 72 1HE LYS 8 1HE LYS 8 -0.134 8.090 1.752 73 2HE LYS 8 2HE LYS 8 -0.406 7.646 3.450 74 1HZ LYS 8 1HZ LYS 8 -1.246 6.169 1.022 75 2HZ LYS 8 2HZ LYS 8 -1.919 5.859 2.551 76 3HZ LYS 8 3HZ LYS 8 -0.258 5.619 2.286 77 H GLY 9 H GLY 9 -4.555 10.199 -0.034 78 1HA GLY 9 1HA GLY 9 -4.538 12.637 1.292 79 2HA GLY 9 2HA GLY 9 -4.847 13.068 -0.391 80 H ASP 10 H ASP 10 -6.969 13.810 0.600 81 HA ASP 10 HA ASP 10 -8.877 11.945 1.657 82 1HB ASP 10 1HB ASP 10 -8.891 14.673 0.402 83 2HB ASP 10 2HB ASP 10 -10.432 13.861 0.689 84 H ALA 11 H ALA 11 -10.375 10.635 0.603 85 HA ALA 11 HA ALA 11 -9.920 9.568 -1.942 86 1HB ALA 11 1HB ALA 11 -12.750 9.787 -1.132 87 2HB ALA 11 2HB ALA 11 -11.763 8.346 -1.383 88 3HB ALA 11 3HB ALA 11 -11.675 9.220 0.147 89 H ASN 12 H ASN 12 -12.263 12.149 -1.102 90 HA ASN 12 HA ASN 12 -13.170 12.626 -3.776 91 1HB ASN 12 1HB ASN 12 -13.094 14.178 -1.190 92 2HB ASN 12 2HB ASN 12 -13.794 14.882 -2.649 93 1HD2 ASN 12 1HD2 ASN 12 -15.715 13.797 -3.579 94 2HD2 ASN 12 2HD2 ASN 12 -16.656 12.752 -2.628 95 H THR 13 H THR 13 -10.611 14.221 -1.843 96 HA THR 13 HA THR 13 -9.912 16.258 -3.685 97 HB THR 13 HB THR 13 -8.244 14.644 -1.730 98 HG1 THR 13 HG1 THR 13 -10.228 16.111 -1.246 99 1HG2 THR 13 1HG2 THR 13 -6.689 16.526 -1.768 100 2HG2 THR 13 2HG2 THR 13 -7.702 17.370 -2.940 101 3HG2 THR 13 3HG2 THR 13 -6.873 15.883 -3.401 102 H LEU 14 H LEU 14 -9.242 12.816 -3.764 103 HA LEU 14 HA LEU 14 -7.078 13.017 -5.730 104 1HB LEU 14 1HB LEU 14 -8.820 10.720 -4.769 105 2HB LEU 14 2HB LEU 14 -7.353 10.541 -5.731 106 HG LEU 14 HG LEU 14 -7.360 11.994 -3.082 107 1HD1 LEU 14 1HD1 LEU 14 -6.293 9.233 -3.222 108 2HD1 LEU 14 2HD1 LEU 14 -8.049 9.370 -3.274 109 3HD1 LEU 14 3HD1 LEU 14 -7.153 10.042 -1.913 110 1HD2 LEU 14 1HD2 LEU 14 -5.089 10.499 -4.380 111 2HD2 LEU 14 2HD2 LEU 14 -5.019 11.836 -3.232 112 3HD2 LEU 14 3HD2 LEU 14 -5.488 12.136 -4.905 113 H LYS 15 H LYS 15 -10.571 12.565 -5.763 114 HA LYS 15 HA LYS 15 -10.944 11.613 -8.414 115 1HB LYS 15 1HB LYS 15 -12.519 13.296 -6.468 116 2HB LYS 15 2HB LYS 15 -13.179 12.897 -8.053 117 1HG LYS 15 1HG LYS 15 -12.097 10.803 -6.156 118 2HG LYS 15 2HG LYS 15 -13.792 11.288 -6.173 119 1HD LYS 15 1HD LYS 15 -13.969 10.654 -8.541 120 2HD LYS 15 2HD LYS 15 -12.264 10.199 -8.555 121 1HE LYS 15 1HE LYS 15 -13.055 8.704 -6.461 122 2HE LYS 15 2HE LYS 15 -14.590 8.770 -7.351 123 1HZ LYS 15 1HZ LYS 15 -13.023 6.957 -8.064 124 2HZ LYS 15 2HZ LYS 15 -11.991 8.173 -8.651 125 3HZ LYS 15 3HZ LYS 15 -13.548 7.986 -9.306 126 H CYS 16 H CYS 16 -10.675 14.950 -7.183 127 HA CYS 16 HA CYS 16 -11.157 16.240 -9.718 128 1HB CYS 16 1HB CYS 16 -11.472 17.419 -7.652 129 2HB CYS 16 2HB CYS 16 -9.837 17.037 -7.111 130 HG CYS 16 HG CYS 16 -8.964 18.970 -8.396 131 H LEU 17 H LEU 17 -8.194 15.175 -8.048 132 HA LEU 17 HA LEU 17 -6.269 16.425 -9.722 133 1HB LEU 17 1HB LEU 17 -6.418 13.972 -7.996 134 2HB LEU 17 2HB LEU 17 -4.972 14.250 -8.967 135 HG LEU 17 HG LEU 17 -6.093 16.467 -7.272 136 1HD1 LEU 17 1HD1 LEU 17 -5.839 14.977 -5.525 137 2HD1 LEU 17 2HD1 LEU 17 -4.177 15.550 -5.656 138 3HD1 LEU 17 3HD1 LEU 17 -4.640 14.012 -6.383 139 1HD2 LEU 17 1HD2 LEU 17 -3.483 16.817 -7.183 140 2HD2 LEU 17 2HD2 LEU 17 -4.371 17.262 -8.641 141 3HD2 LEU 17 3HD2 LEU 17 -3.484 15.738 -8.578 142 H ARG 18 H ARG 18 -7.613 13.106 -9.973 143 HA ARG 18 HA ARG 18 -6.329 12.156 -12.234 144 1HB ARG 18 1HB ARG 18 -7.909 10.834 -11.003 145 2HB ARG 18 2HB ARG 18 -9.216 11.971 -11.341 146 1HG ARG 18 1HG ARG 18 -9.046 11.440 -13.752 147 2HG ARG 18 2HG ARG 18 -7.763 10.282 -13.399 148 1HD ARG 18 1HD ARG 18 -9.873 9.065 -13.586 149 2HD ARG 18 2HD ARG 18 -9.392 9.072 -11.878 150 HE ARG 18 HE ARG 18 -11.376 10.286 -11.497 151 1HH1 ARG 18 1HH2 ARG 18 -12.347 9.920 -14.328 152 2HH1 ARG 18 2HH2 ARG 18 -12.547 11.559 -14.847 153 1HH2 ARG 18 1HH1 ARG 18 -10.641 12.889 -12.275 154 2HH2 ARG 18 2HH1 ARG 18 -11.583 13.240 -13.686 155 H TYR 19 H TYR 19 -8.872 14.616 -12.120 156 HA TYR 19 HA TYR 19 -9.512 14.659 -14.915 157 1HB TYR 19 1HB TYR 19 -10.856 15.689 -13.127 158 2HB TYR 19 2HB TYR 19 -9.552 16.828 -12.791 159 HD1 TYR 19 HD1 TYR 19 -12.061 15.774 -15.315 160 HD2 TYR 19 HD2 TYR 19 -9.166 18.742 -14.188 161 HE1 TYR 19 HE1 TYR 19 -12.917 17.282 -17.090 162 HE2 TYR 19 HE2 TYR 19 -10.021 20.249 -15.963 163 HH TYR 19 HH TYR 19 -12.325 19.156 -18.349 164 H ARG 20 H ARG 20 -7.077 16.424 -12.996 165 HA ARG 20 HA ARG 20 -6.131 18.102 -15.133 166 1HB ARG 20 1HB ARG 20 -5.047 17.090 -12.501 167 2HB ARG 20 2HB ARG 20 -4.091 18.155 -13.532 168 1HG ARG 20 1HG ARG 20 -6.252 19.633 -13.568 169 2HG ARG 20 2HG ARG 20 -6.682 18.725 -12.119 170 1HD ARG 20 1HD ARG 20 -4.343 19.330 -11.230 171 2HD ARG 20 2HD ARG 20 -4.283 20.519 -12.548 172 HE ARG 20 HE ARG 20 -6.473 21.413 -11.616 173 1HH1 ARG 20 1HH1 ARG 20 -3.773 21.079 -9.788 174 2HH1 ARG 20 2HH1 ARG 20 -4.561 21.042 -8.246 175 1HH2 ARG 20 1HH2 ARG 20 -7.742 20.700 -9.579 176 2HH2 ARG 20 2HH2 ARG 20 -6.806 20.827 -8.128 177 H PHE 21 H PHE 21 -5.222 14.858 -14.011 178 HA PHE 21 HA PHE 21 -2.851 14.571 -15.608 179 1HB PHE 21 1HB PHE 21 -4.847 12.670 -14.358 180 2HB PHE 21 2HB PHE 21 -3.397 12.100 -15.180 181 HD1 PHE 21 HD1 PHE 21 -2.734 15.282 -13.798 182 HD2 PHE 21 HD2 PHE 21 -3.139 11.146 -12.702 183 HE1 PHE 21 HE1 PHE 21 -1.405 15.695 -11.745 184 HE2 PHE 21 HE2 PHE 21 -1.810 11.560 -10.650 185 HZ PHE 21 HZ PHE 21 -0.943 13.833 -10.171 186 H LYS 22 H LYS 22 -6.285 13.934 -16.250 187 HA LYS 22 HA LYS 22 -5.978 12.490 -18.700 188 1HB LYS 22 1HB LYS 22 -8.147 14.331 -17.643 189 2HB LYS 22 2HB LYS 22 -8.350 13.255 -19.025 190 1HG LYS 22 1HG LYS 22 -7.310 12.079 -16.481 191 2HG LYS 22 2HG LYS 22 -9.025 12.483 -16.562 192 1HD LYS 22 1HD LYS 22 -8.994 11.218 -18.831 193 2HD LYS 22 2HD LYS 22 -7.471 10.536 -18.260 194 1HE LYS 22 1HE LYS 22 -9.908 10.479 -16.480 195 2HE LYS 22 2HE LYS 22 -9.665 9.229 -17.718 196 1HZ LYS 22 1HZ LYS 22 -8.192 9.704 -15.280 197 2HZ LYS 22 2HZ LYS 22 -7.203 9.487 -16.646 198 3HZ LYS 22 3HZ LYS 22 -8.324 8.289 -16.206 199 H LYS 23 H LYS 23 -6.265 15.983 -18.033 200 HA LYS 23 HA LYS 23 -6.256 16.750 -20.839 201 1HB LYS 23 1HB LYS 23 -6.930 17.899 -18.458 202 2HB LYS 23 2HB LYS 23 -5.363 18.656 -18.755 203 1HG LYS 23 1HG LYS 23 -7.079 20.035 -19.777 204 2HG LYS 23 2HG LYS 23 -6.156 19.253 -21.061 205 1HD LYS 23 1HD LYS 23 -7.965 17.394 -20.933 206 2HD LYS 23 2HD LYS 23 -8.925 18.595 -20.073 207 1HE LYS 23 1HE LYS 23 -9.222 19.896 -21.952 208 2HE LYS 23 2HE LYS 23 -7.626 19.486 -22.609 209 1HZ LYS 23 1HZ LYS 23 -9.718 17.425 -22.313 210 2HZ LYS 23 2HZ LYS 23 -8.351 17.416 -23.322 211 3HZ LYS 23 3HZ LYS 23 -9.676 18.414 -23.689 212 H HIS 24 H HIS 24 -3.786 16.515 -18.284 213 HA HIS 24 HA HIS 24 -1.695 17.460 -20.172 214 1HB HIS 24 1HB HIS 24 -1.791 16.780 -17.220 215 2HB HIS 24 2HB HIS 24 -0.313 17.275 -18.047 216 HD1 HIS 24 HD1 HIS 24 -0.736 19.635 -19.539 217 HD2 HIS 24 HD2 HIS 24 -3.130 18.960 -16.193 218 HE1 HIS 24 HE1 HIS 24 -1.699 21.884 -18.882 219 H CYS 25 H CYS 25 -3.014 14.842 -20.603 220 HA CYS 25 HA CYS 25 -1.495 12.626 -19.681 221 1HB CYS 25 1HB CYS 25 -2.533 11.499 -21.595 222 2HB CYS 25 2HB CYS 25 -3.693 12.595 -20.846 223 HG CYS 25 HG CYS 25 -2.731 14.334 -22.831 224 H THR 26 H THR 26 0.570 14.390 -20.119 225 HA THR 26 HA THR 26 2.027 13.108 -22.378 226 HB THR 26 HB THR 26 2.839 15.491 -22.924 227 HG1 THR 26 HG1 THR 26 0.649 16.722 -22.141 228 1HG2 THR 26 1HG2 THR 26 1.408 14.556 -24.520 229 2HG2 THR 26 2HG2 THR 26 0.536 16.013 -24.046 230 3HG2 THR 26 3HG2 THR 26 0.059 14.448 -23.390 231 H LEU 27 H LEU 27 2.187 12.844 -19.433 232 HA LEU 27 HA LEU 27 5.051 13.602 -19.134 233 1HB LEU 27 1HB LEU 27 2.695 14.651 -17.657 234 2HB LEU 27 2HB LEU 27 4.121 14.276 -16.687 235 HG LEU 27 HG LEU 27 4.175 15.989 -19.187 236 1HD1 LEU 27 1HD1 LEU 27 3.588 17.774 -17.944 237 2HD1 LEU 27 2HD1 LEU 27 4.758 17.351 -16.693 238 3HD1 LEU 27 3HD1 LEU 27 3.139 16.651 -16.660 239 1HD2 LEU 27 1HD2 LEU 27 6.334 16.524 -17.457 240 2HD2 LEU 27 2HD2 LEU 27 6.401 15.674 -19.000 241 3HD2 LEU 27 3HD2 LEU 27 6.192 14.767 -17.501 242 H TYR 28 H TYR 28 2.344 11.505 -18.256 243 HA TYR 28 HA TYR 28 4.234 9.881 -16.595 244 1HB TYR 28 1HB TYR 28 2.088 9.024 -15.580 245 2HB TYR 28 2HB TYR 28 2.343 10.753 -15.338 246 HD1 TYR 28 HD1 TYR 28 1.021 12.414 -16.572 247 HD2 TYR 28 HD2 TYR 28 0.371 8.198 -17.097 248 HE1 TYR 28 HE1 TYR 28 -1.141 12.889 -17.697 249 HE2 TYR 28 HE2 TYR 28 -1.789 8.672 -18.221 250 HH TYR 28 HH TYR 28 -3.260 10.236 -18.793 251 H THR 29 H THR 29 3.758 7.451 -16.791 252 HA THR 29 HA THR 29 3.283 6.812 -19.661 253 HB THR 29 HB THR 29 4.303 4.881 -17.608 254 HG1 THR 29 HG1 THR 29 5.578 6.518 -17.063 255 1HG2 THR 29 1HG2 THR 29 5.497 3.986 -19.431 256 2HG2 THR 29 2HG2 THR 29 5.391 5.487 -20.351 257 3HG2 THR 29 3HG2 THR 29 3.961 4.474 -20.147 258 H ALA 30 H ALA 30 2.053 6.022 -16.416 259 HA ALA 30 HA ALA 30 -0.387 4.912 -17.645 260 1HB ALA 30 1HB ALA 30 1.829 3.278 -17.091 261 2HB ALA 30 2HB ALA 30 0.697 2.972 -15.774 262 3HB ALA 30 3HB ALA 30 0.188 2.737 -17.446 263 H VAL 31 H VAL 31 -1.953 5.832 -16.392 264 HA VAL 31 HA VAL 31 -1.415 6.502 -13.561 265 HB VAL 31 HB VAL 31 -3.943 6.884 -15.184 266 1HG1 VAL 31 1HG1 VAL 31 -3.910 9.011 -13.698 267 2HG1 VAL 31 2HG1 VAL 31 -2.706 8.148 -12.742 268 3HG1 VAL 31 3HG1 VAL 31 -4.326 7.477 -12.932 269 1HG2 VAL 31 1HG2 VAL 31 -2.327 7.855 -16.599 270 2HG2 VAL 31 2HG2 VAL 31 -1.324 8.379 -15.246 271 3HG2 VAL 31 3HG2 VAL 31 -2.838 9.211 -15.594 272 H SER 32 H SER 32 -1.539 4.596 -12.330 273 HA SER 32 HA SER 32 -3.415 2.460 -12.825 274 1HB SER 32 1HB SER 32 -2.659 1.920 -10.398 275 2HB SER 32 2HB SER 32 -1.423 1.961 -11.652 276 HG SER 32 HG SER 32 -0.546 3.573 -10.646 277 H SER 33 H SER 33 -5.390 2.010 -11.756 278 HA SER 33 HA SER 33 -7.062 4.196 -11.014 279 1HB SER 33 1HB SER 33 -8.537 2.507 -11.290 280 2HB SER 33 2HB SER 33 -7.189 1.385 -11.424 281 HG SER 33 HG SER 33 -8.453 2.259 -9.031 282 H THR 34 H THR 34 -8.014 4.578 -8.847 283 HA THR 34 HA THR 34 -6.018 4.843 -6.790 284 HB THR 34 HB THR 34 -7.859 6.390 -7.006 285 HG1 THR 34 HG1 THR 34 -7.447 6.315 -4.917 286 1HG2 THR 34 1HG2 THR 34 -9.836 5.613 -7.741 287 2HG2 THR 34 2HG2 THR 34 -10.115 4.939 -6.135 288 3HG2 THR 34 3HG2 THR 34 -9.360 3.953 -7.387 289 H TRP 35 H TRP 35 -5.635 3.581 -4.984 290 HA TRP 35 HA TRP 35 -7.423 1.281 -4.380 291 1HB TRP 35 1HB TRP 35 -5.452 -0.239 -4.448 292 2HB TRP 35 2HB TRP 35 -5.764 0.489 -6.023 293 HD1 TRP 35 HD1 TRP 35 -4.116 2.432 -6.836 294 HE1 TRP 35 HE1 TRP 35 -1.691 2.995 -6.169 295 HE3 TRP 35 HE3 TRP 35 -3.750 -0.250 -2.507 296 HZ2 TRP 35 HZ2 TRP 35 0.160 2.388 -4.074 297 HZ3 TRP 35 HZ3 TRP 35 -1.646 -0.241 -1.196 298 HH2 TRP 35 HH2 TRP 35 0.307 1.073 -1.974 299 H HIS 36 H HIS 36 -6.167 0.089 -2.347 300 HA HIS 36 HA HIS 36 -4.735 1.995 -0.630 301 1HB HIS 36 1HB HIS 36 -6.581 2.067 1.044 302 2HB HIS 36 2HB HIS 36 -7.047 2.791 -0.495 303 HD1 HIS 36 HD1 HIS 36 -9.372 2.114 -1.063 304 HD2 HIS 36 HD2 HIS 36 -7.281 -1.001 0.755 305 HE1 HIS 36 HE1 HIS 36 -10.945 0.130 -1.012 306 H TRP 37 H TRP 37 -4.553 1.000 1.661 307 HA TRP 37 HA TRP 37 -3.648 -1.769 1.388 308 1HB TRP 37 1HB TRP 37 -3.874 0.072 3.793 309 2HB TRP 37 2HB TRP 37 -2.891 -1.390 3.696 310 HD1 TRP 37 HD1 TRP 37 -2.509 2.173 3.422 311 HE1 TRP 37 HE1 TRP 37 -0.436 2.819 2.032 312 HE3 TRP 37 HE3 TRP 37 -1.517 -2.309 1.183 313 HZ2 TRP 37 HZ2 TRP 37 1.401 1.596 0.212 314 HZ3 TRP 37 HZ3 TRP 37 0.398 -2.540 -0.374 315 HH2 TRP 37 HH2 TRP 37 1.857 -0.594 -0.862 316 H THR 38 H THR 38 -5.053 -3.462 1.581 317 HA THR 38 HA THR 38 -7.647 -3.111 2.952 318 HB THR 38 HB THR 38 -6.428 -5.527 1.580 319 HG1 THR 38 HG1 THR 38 -7.865 -3.306 0.574 320 1HG2 THR 38 1HG2 THR 38 -8.399 -6.517 1.997 321 2HG2 THR 38 2HG2 THR 38 -9.267 -5.168 1.264 322 3HG2 THR 38 3HG2 THR 38 -8.853 -5.125 2.978 323 H GLY 39 H GLY 39 -6.857 -2.952 5.183 324 1HA GLY 39 1HA GLY 39 -6.068 -5.614 6.285 325 2HA GLY 39 2HA GLY 39 -5.255 -4.147 6.830 326 H HIS 40 H HIS 40 -6.655 -5.822 8.621 327 HA HIS 40 HA HIS 40 -9.343 -5.200 9.178 328 1HB HIS 40 1HB HIS 40 -7.314 -6.641 10.317 329 2HB HIS 40 2HB HIS 40 -7.484 -5.328 11.481 330 HD1 HIS 40 HD1 HIS 40 -10.123 -7.221 9.471 331 HD2 HIS 40 HD2 HIS 40 -9.176 -6.314 13.428 332 HE1 HIS 40 HE1 HIS 40 -11.998 -8.163 10.891 333 H ASN 41 H ASN 41 -6.521 -3.638 10.751 334 HA ASN 41 HA ASN 41 -8.210 -1.311 11.464 335 1HB ASN 41 1HB ASN 41 -5.320 -2.064 12.030 336 2HB ASN 41 2HB ASN 41 -6.170 -0.700 12.758 337 1HD2 ASN 41 1HD2 ASN 41 -8.644 -1.752 13.416 338 2HD2 ASN 41 2HD2 ASN 41 -8.471 -3.049 14.496 339 H VAL 42 H VAL 42 -8.492 -0.339 9.347 340 HA VAL 42 HA VAL 42 -6.085 1.154 8.422 341 HB VAL 42 HB VAL 42 -6.363 -1.036 7.183 342 1HG1 VAL 42 1HG1 VAL 42 -8.246 -0.939 5.434 343 2HG1 VAL 42 2HG1 VAL 42 -8.966 0.312 6.447 344 3HG1 VAL 42 3HG1 VAL 42 -8.721 -1.312 7.091 345 1HG2 VAL 42 1HG2 VAL 42 -5.786 1.530 6.221 346 2HG2 VAL 42 2HG2 VAL 42 -6.895 0.851 5.029 347 3HG2 VAL 42 3HG2 VAL 42 -5.399 0.005 5.426 348 H LYS 43 H LYS 43 -8.957 1.545 9.663 349 HA LYS 43 HA LYS 43 -10.626 2.941 7.853 350 1HB LYS 43 1HB LYS 43 -10.998 2.211 10.281 351 2HB LYS 43 2HB LYS 43 -10.119 3.667 10.750 352 1HG LYS 43 1HG LYS 43 -11.782 5.089 9.982 353 2HG LYS 43 2HG LYS 43 -12.379 3.924 8.800 354 1HD LYS 43 1HD LYS 43 -13.396 2.583 10.532 355 2HD LYS 43 2HD LYS 43 -12.646 3.561 11.795 356 1HE LYS 43 1HE LYS 43 -14.918 4.341 11.600 357 2HE LYS 43 2HE LYS 43 -13.915 5.560 10.788 358 1HZ LYS 43 1HZ LYS 43 -14.492 4.800 8.716 359 2HZ LYS 43 2HZ LYS 43 -15.944 4.523 9.551 360 3HZ LYS 43 3HZ LYS 43 -14.871 3.239 9.260 361 H HIS 44 H HIS 44 -7.542 3.809 9.137 362 HA HIS 44 HA HIS 44 -7.607 6.626 9.205 363 1HB HIS 44 1HB HIS 44 -5.376 4.895 8.096 364 2HB HIS 44 2HB HIS 44 -5.215 6.433 8.946 365 HD1 HIS 44 HD1 HIS 44 -5.849 6.420 11.536 366 HD2 HIS 44 HD2 HIS 44 -5.582 2.654 9.767 367 HE1 HIS 44 HE1 HIS 44 -5.739 4.743 13.432 368 H LYS 45 H LYS 45 -6.282 4.777 6.440 369 HA LYS 45 HA LYS 45 -7.451 6.861 4.623 370 1HB LYS 45 1HB LYS 45 -4.797 5.405 4.663 371 2HB LYS 45 2HB LYS 45 -5.371 6.262 3.231 372 1HG LYS 45 1HG LYS 45 -5.389 7.681 5.874 373 2HG LYS 45 2HG LYS 45 -3.862 7.510 5.006 374 1HD LYS 45 1HD LYS 45 -5.015 8.459 2.967 375 2HD LYS 45 2HD LYS 45 -6.404 8.812 3.996 376 1HE LYS 45 1HE LYS 45 -5.242 10.437 5.234 377 2HE LYS 45 2HE LYS 45 -3.656 9.778 4.786 378 1HZ LYS 45 1HZ LYS 45 -5.325 10.523 2.549 379 2HZ LYS 45 2HZ LYS 45 -3.676 10.827 2.819 380 3HZ LYS 45 3HZ LYS 45 -4.854 11.832 3.519 381 H SER 46 H SER 46 -7.704 5.970 2.326 382 HA SER 46 HA SER 46 -7.854 3.093 1.932 383 1HB SER 46 1HB SER 46 -10.349 3.025 1.872 384 2HB SER 46 2HB SER 46 -9.731 3.422 3.472 385 HG SER 46 HG SER 46 -10.403 5.402 1.567 386 H ALA 47 H ALA 47 -6.798 5.412 0.505 387 HA ALA 47 HA ALA 47 -7.909 4.863 -2.140 388 1HB ALA 47 1HB ALA 47 -9.622 6.351 -1.287 389 2HB ALA 47 2HB ALA 47 -8.406 7.497 -0.723 390 3HB ALA 47 3HB ALA 47 -8.655 7.255 -2.452 391 H ILE 48 H ILE 48 -5.920 4.678 -3.126 392 HA ILE 48 HA ILE 48 -4.100 7.045 -3.035 393 HB ILE 48 HB ILE 48 -3.154 4.183 -2.761 394 1HG1 ILE 48 1HG1 ILE 48 -3.668 6.191 -0.544 395 2HG1 ILE 48 2HG1 ILE 48 -4.646 4.757 -0.858 396 1HG2 ILE 48 1HG2 ILE 48 -1.069 5.081 -2.537 397 2HG2 ILE 48 2HG2 ILE 48 -1.659 6.471 -1.626 398 3HG2 ILE 48 3HG2 ILE 48 -1.781 6.453 -3.386 399 1HD1 ILE 48 1HD1 ILE 48 -1.687 4.433 -0.509 400 2HD1 ILE 48 2HD1 ILE 48 -2.985 3.299 -0.140 401 3HD1 ILE 48 3HD1 ILE 48 -2.687 4.675 0.922 402 H VAL 49 H VAL 49 -3.072 7.400 -5.031 403 HA VAL 49 HA VAL 49 -3.589 5.363 -7.176 404 HB VAL 49 HB VAL 49 -3.632 8.396 -7.263 405 1HG1 VAL 49 1HG1 VAL 49 -2.730 7.180 -9.327 406 2HG1 VAL 49 2HG1 VAL 49 -4.129 8.221 -9.593 407 3HG1 VAL 49 3HG1 VAL 49 -4.339 6.473 -9.489 408 1HG2 VAL 49 1HG2 VAL 49 -5.905 8.258 -7.113 409 2HG2 VAL 49 2HG2 VAL 49 -5.585 6.684 -6.383 410 3HG2 VAL 49 3HG2 VAL 49 -5.973 6.798 -8.100 411 H THR 50 H THR 50 -1.695 4.578 -7.992 412 HA THR 50 HA THR 50 0.831 6.072 -7.537 413 HB THR 50 HB THR 50 0.102 3.288 -8.490 414 HG1 THR 50 HG1 THR 50 0.735 2.716 -6.500 415 1HG2 THR 50 1HG2 THR 50 2.746 3.127 -7.974 416 2HG2 THR 50 2HG2 THR 50 2.668 4.780 -8.583 417 3HG2 THR 50 3HG2 THR 50 2.104 3.442 -9.586 418 H LEU 51 H LEU 51 2.315 6.437 -9.361 419 HA LEU 51 HA LEU 51 1.008 6.389 -12.055 420 1HB LEU 51 1HB LEU 51 2.501 8.659 -10.698 421 2HB LEU 51 2HB LEU 51 1.949 8.686 -12.373 422 HG LEU 51 HG LEU 51 -0.222 7.890 -10.646 423 1HD1 LEU 51 1HD1 LEU 51 0.910 9.126 -8.882 424 2HD1 LEU 51 2HD1 LEU 51 -0.455 10.084 -9.456 425 3HD1 LEU 51 3HD1 LEU 51 1.184 10.490 -9.966 426 1HD2 LEU 51 1HD2 LEU 51 -0.086 10.552 -12.003 427 2HD2 LEU 51 2HD2 LEU 51 -1.396 9.372 -11.981 428 3HD2 LEU 51 3HD2 LEU 51 0.011 9.109 -13.012 429 H THR 52 H THR 52 2.366 5.541 -13.587 430 HA THR 52 HA THR 52 5.184 4.976 -12.826 431 HB THR 52 HB THR 52 5.021 3.460 -14.809 432 HG1 THR 52 HG1 THR 52 3.476 4.801 -15.908 433 1HG2 THR 52 1HG2 THR 52 3.235 3.380 -12.453 434 2HG2 THR 52 2HG2 THR 52 4.403 2.189 -13.023 435 3HG2 THR 52 3HG2 THR 52 2.804 2.282 -13.764 436 H TYR 53 H TYR 53 6.818 6.203 -13.658 437 HA TYR 53 HA TYR 53 6.197 8.070 -15.908 438 1HB TYR 53 1HB TYR 53 8.284 7.960 -13.714 439 2HB TYR 53 2HB TYR 53 8.351 9.136 -15.028 440 HD1 TYR 53 HD1 TYR 53 5.969 7.791 -12.461 441 HD2 TYR 53 HD2 TYR 53 7.233 11.175 -14.788 442 HE1 TYR 53 HE1 TYR 53 4.338 9.224 -11.263 443 HE2 TYR 53 HE2 TYR 53 5.600 12.608 -13.590 444 HH TYR 53 HH TYR 53 4.181 11.794 -10.750 445 H ASP 54 H ASP 54 7.524 8.060 -17.772 446 HA ASP 54 HA ASP 54 8.951 5.545 -18.311 447 1HB ASP 54 1HB ASP 54 7.341 7.155 -19.756 448 2HB ASP 54 2HB ASP 54 8.904 7.820 -20.233 449 H SER 55 H SER 55 9.809 8.625 -17.114 450 HA SER 55 HA SER 55 12.666 7.975 -17.311 451 1HB SER 55 1HB SER 55 13.165 10.039 -18.627 452 2HB SER 55 2HB SER 55 12.190 8.884 -19.532 453 HG SER 55 HG SER 55 10.725 10.371 -19.658 454 H GLU 56 H GLU 56 13.715 8.891 -15.574 455 HA GLU 56 HA GLU 56 12.409 10.175 -13.445 456 1HB GLU 56 1HB GLU 56 15.071 9.484 -14.299 457 2HB GLU 56 2HB GLU 56 15.101 11.091 -13.572 458 1HG GLU 56 1HG GLU 56 13.427 9.597 -11.899 459 2HG GLU 56 2HG GLU 56 14.753 8.502 -12.291 460 H TRP 57 H TRP 57 14.087 11.615 -16.235 461 HA TRP 57 HA TRP 57 14.056 14.339 -15.522 462 1HB TRP 57 1HB TRP 57 14.801 12.850 -17.649 463 2HB TRP 57 2HB TRP 57 13.324 13.556 -18.303 464 HD1 TRP 57 HD1 TRP 57 13.306 16.105 -18.847 465 HE1 TRP 57 HE1 TRP 57 15.138 17.918 -18.901 466 HE3 TRP 57 HE3 TRP 57 17.069 13.625 -16.446 467 HZ2 TRP 57 HZ2 TRP 57 17.846 18.269 -18.037 468 HZ3 TRP 57 HZ3 TRP 57 19.262 14.718 -16.074 469 HH2 TRP 57 HH2 TRP 57 19.655 17.036 -16.867 470 H GLN 58 H GLN 58 11.561 12.605 -17.428 471 HA GLN 58 HA GLN 58 9.673 14.699 -17.583 472 1HB GLN 58 1HB GLN 58 9.714 12.496 -18.796 473 2HB GLN 58 2HB GLN 58 9.154 11.722 -17.313 474 1HG GLN 58 1HG GLN 58 7.122 13.079 -17.331 475 2HG GLN 58 2HG GLN 58 7.690 13.953 -18.754 476 1HE2 GLN 58 1HE2 GLN 58 7.507 10.447 -17.877 477 2HE2 GLN 58 2HE2 GLN 58 6.737 9.982 -19.317 478 H ARG 59 H ARG 59 10.226 12.332 -14.982 479 HA ARG 59 HA ARG 59 7.884 12.836 -13.441 480 1HB ARG 59 1HB ARG 59 9.445 10.988 -13.043 481 2HB ARG 59 2HB ARG 59 10.725 12.130 -12.631 482 1HG ARG 59 1HG ARG 59 8.972 13.001 -10.864 483 2HG ARG 59 2HG ARG 59 8.267 11.397 -11.070 484 1HD ARG 59 1HD ARG 59 9.857 11.277 -9.235 485 2HD ARG 59 2HD ARG 59 10.587 10.439 -10.619 486 HE ARG 59 HE ARG 59 11.812 12.591 -11.098 487 1HH1 ARG 59 1HH1 ARG 59 10.145 14.178 -9.074 488 2HH1 ARG 59 2HH1 ARG 59 11.280 14.346 -7.777 489 1HH2 ARG 59 1HH2 ARG 59 13.406 11.875 -8.963 490 2HH2 ARG 59 2HH2 ARG 59 13.127 13.042 -7.713 491 H ASP 60 H ASP 60 10.946 14.592 -13.688 492 HA ASP 60 HA ASP 60 10.687 16.292 -11.421 493 1HB ASP 60 1HB ASP 60 12.414 15.858 -13.579 494 2HB ASP 60 2HB ASP 60 11.907 17.540 -13.750 495 H GLN 61 H GLN 61 9.995 17.188 -14.840 496 HA GLN 61 HA GLN 61 8.688 19.636 -14.174 497 1HB GLN 61 1HB GLN 61 7.806 19.261 -16.576 498 2HB GLN 61 2HB GLN 61 9.545 19.365 -16.358 499 1HG GLN 61 1HG GLN 61 8.544 16.643 -16.011 500 2HG GLN 61 2HG GLN 61 8.169 17.290 -17.608 501 1HE2 GLN 61 1HE2 GLN 61 9.779 16.392 -18.940 502 2HE2 GLN 61 2HE2 GLN 61 11.445 16.504 -18.633 503 H PHE 62 H PHE 62 7.566 16.350 -14.086 504 HA PHE 62 HA PHE 62 4.789 16.662 -14.563 505 1HB PHE 62 1HB PHE 62 5.742 14.488 -14.333 506 2HB PHE 62 2HB PHE 62 6.437 14.880 -12.760 507 HD1 PHE 62 HD1 PHE 62 3.295 14.155 -14.577 508 HD2 PHE 62 HD2 PHE 62 5.111 14.821 -10.740 509 HE1 PHE 62 HE1 PHE 62 1.233 13.347 -13.462 510 HE2 PHE 62 HE2 PHE 62 3.048 14.013 -9.624 511 HZ PHE 62 HZ PHE 62 1.109 13.277 -10.985 512 H LEU 63 H LEU 63 6.298 16.466 -11.329 513 HA LEU 63 HA LEU 63 4.067 17.429 -9.869 514 1HB LEU 63 1HB LEU 63 5.947 17.941 -8.165 515 2HB LEU 63 2HB LEU 63 5.798 16.279 -8.734 516 HG LEU 63 HG LEU 63 7.474 17.695 -10.570 517 1HD1 LEU 63 1HD1 LEU 63 8.691 19.085 -9.292 518 2HD1 LEU 63 2HD1 LEU 63 9.127 17.736 -8.244 519 3HD1 LEU 63 3HD1 LEU 63 7.685 18.691 -7.899 520 1HD2 LEU 63 1HD2 LEU 63 7.401 15.230 -9.948 521 2HD2 LEU 63 2HD2 LEU 63 8.264 15.661 -8.471 522 3HD2 LEU 63 3HD2 LEU 63 9.017 15.930 -10.043 523 H SER 64 H SER 64 6.826 19.241 -11.258 524 HA SER 64 HA SER 64 6.166 21.777 -10.088 525 1HB SER 64 1HB SER 64 8.079 22.319 -11.181 526 2HB SER 64 2HB SER 64 8.137 20.636 -11.697 527 HG SER 64 HG SER 64 7.115 22.897 -13.047 528 H GLN 65 H GLN 65 4.827 20.010 -12.768 529 HA GLN 65 HA GLN 65 3.471 22.408 -13.873 530 1HB GLN 65 1HB GLN 65 3.569 19.482 -14.683 531 2HB GLN 65 2HB GLN 65 2.778 20.753 -15.615 532 1HG GLN 65 1HG GLN 65 5.648 21.127 -14.821 533 2HG GLN 65 2HG GLN 65 5.270 20.045 -16.162 534 1HE2 GLN 65 1HE2 GLN 65 5.816 21.308 -17.979 535 2HE2 GLN 65 2HE2 GLN 65 5.171 22.846 -18.292 536 H VAL 66 H VAL 66 2.791 19.469 -12.044 537 HA VAL 66 HA VAL 66 -0.130 20.039 -12.107 538 HB VAL 66 HB VAL 66 -0.287 17.790 -11.158 539 1HG1 VAL 66 1HG1 VAL 66 1.071 18.428 -13.617 540 2HG1 VAL 66 2HG1 VAL 66 -0.014 17.080 -13.276 541 3HG1 VAL 66 3HG1 VAL 66 1.715 16.921 -12.967 542 1HG2 VAL 66 1HG2 VAL 66 2.168 16.668 -11.039 543 2HG2 VAL 66 2HG2 VAL 66 1.396 17.414 -9.639 544 3HG2 VAL 66 3HG2 VAL 66 2.584 18.319 -10.577 545 H LYS 67 H LYS 67 0.010 21.974 -10.737 546 HA LYS 67 HA LYS 67 1.225 22.440 -8.334 547 1HB LYS 67 1HB LYS 67 -0.360 23.968 -9.357 548 2HB LYS 67 2HB LYS 67 -1.686 22.837 -9.084 549 1HG LYS 67 1HG LYS 67 -1.816 23.308 -6.835 550 2HG LYS 67 2HG LYS 67 -0.092 23.665 -6.704 551 1HD LYS 67 1HD LYS 67 -1.329 25.567 -8.479 552 2HD LYS 67 2HD LYS 67 -2.216 25.521 -6.955 553 1HE LYS 67 1HE LYS 67 0.738 25.503 -6.681 554 2HE LYS 67 2HE LYS 67 0.035 27.009 -7.304 555 1HZ LYS 67 1HZ LYS 67 -1.391 27.186 -5.477 556 2HZ LYS 67 2HZ LYS 67 0.096 26.732 -4.790 557 3HZ LYS 67 3HZ LYS 67 -1.137 25.580 -4.993 558 H ILE 68 H ILE 68 1.627 20.835 -6.849 559 HA ILE 68 HA ILE 68 -0.489 18.919 -6.077 560 HB ILE 68 HB ILE 68 2.038 18.497 -6.499 561 1HG1 ILE 68 1HG1 ILE 68 1.081 17.492 -3.828 562 2HG1 ILE 68 2HG1 ILE 68 0.257 17.009 -5.310 563 1HG2 ILE 68 1HG2 ILE 68 3.488 18.842 -4.567 564 2HG2 ILE 68 2HG2 ILE 68 2.148 19.532 -3.650 565 3HG2 ILE 68 3HG2 ILE 68 2.791 20.387 -5.052 566 1HD1 ILE 68 1HD1 ILE 68 1.831 15.416 -5.566 567 2HD1 ILE 68 2HD1 ILE 68 2.790 16.075 -4.240 568 3HD1 ILE 68 3HD1 ILE 68 2.989 16.710 -5.875 569 HA PRO 69 HA PRO 69 -1.653 21.636 -2.757 570 1HB PRO 69 1HB PRO 69 -3.343 19.915 -1.464 571 2HB PRO 69 2HB PRO 69 -3.803 20.799 -2.934 572 1HG PRO 69 1HG PRO 69 -2.911 17.977 -2.626 573 2HG PRO 69 2HG PRO 69 -4.172 18.655 -3.667 574 1HD PRO 69 1HD PRO 69 -1.709 17.971 -4.578 575 2HD PRO 69 2HD PRO 69 -2.684 19.271 -5.296 576 H LYS 70 H LYS 70 -1.881 21.150 -0.189 577 HA LYS 70 HA LYS 70 0.723 20.026 0.614 578 1HB LYS 70 1HB LYS 70 -0.805 22.151 1.391 579 2HB LYS 70 2HB LYS 70 -1.240 20.969 2.626 580 1HG LYS 70 1HG LYS 70 1.338 20.562 2.787 581 2HG LYS 70 2HG LYS 70 1.461 22.137 2.002 582 1HD LYS 70 1HD LYS 70 0.412 23.251 3.789 583 2HD LYS 70 2HD LYS 70 -0.302 21.765 4.416 584 1HE LYS 70 1HE LYS 70 1.466 22.013 5.911 585 2HE LYS 70 2HE LYS 70 2.285 21.077 4.644 586 1HZ LYS 70 1HZ LYS 70 3.413 22.868 3.917 587 2HZ LYS 70 2HZ LYS 70 3.118 23.481 5.474 588 3HZ LYS 70 3HZ LYS 70 2.120 23.935 4.176 589 H THR 71 H THR 71 -2.513 18.928 0.365 590 HA THR 71 HA THR 71 -2.364 17.001 2.583 591 HB THR 71 HB THR 71 -4.513 16.315 1.019 592 HG1 THR 71 HG1 THR 71 -4.176 17.875 -0.501 593 1HG2 THR 71 1HG2 THR 71 -4.787 18.743 2.735 594 2HG2 THR 71 2HG2 THR 71 -4.175 17.270 3.488 595 3HG2 THR 71 3HG2 THR 71 -5.758 17.270 2.711 596 H ILE 72 H ILE 72 -1.260 17.126 -0.644 597 HA ILE 72 HA ILE 72 -1.422 14.190 -1.057 598 HB ILE 72 HB ILE 72 -0.643 16.617 -2.673 599 1HG1 ILE 72 1HG1 ILE 72 -3.042 15.907 -2.444 600 2HG1 ILE 72 2HG1 ILE 72 -2.457 15.869 -4.107 601 1HG2 ILE 72 1HG2 ILE 72 1.036 14.986 -3.264 602 2HG2 ILE 72 2HG2 ILE 72 -0.169 14.997 -4.552 603 3HG2 ILE 72 3HG2 ILE 72 -0.170 13.703 -3.355 604 1HD1 ILE 72 1HD1 ILE 72 -1.941 13.349 -2.749 605 2HD1 ILE 72 2HD1 ILE 72 -2.797 13.645 -4.261 606 3HD1 ILE 72 3HD1 ILE 72 -3.656 13.752 -2.726 607 H THR 73 H THR 73 0.271 12.936 -0.298 608 HA THR 73 HA THR 73 2.862 14.244 0.336 609 HB THR 73 HB THR 73 1.611 11.537 0.895 610 HG1 THR 73 HG1 THR 73 2.178 13.848 2.424 611 1HG2 THR 73 1HG2 THR 73 4.381 12.309 0.900 612 2HG2 THR 73 2HG2 THR 73 3.671 10.750 1.320 613 3HG2 THR 73 3HG2 THR 73 3.859 11.995 2.555 614 H VAL 74 H VAL 74 4.696 13.849 -0.903 615 HA VAL 74 HA VAL 74 4.352 12.331 -3.401 616 HB VAL 74 HB VAL 74 6.783 13.774 -2.313 617 1HG1 VAL 74 1HG1 VAL 74 7.555 12.876 -4.268 618 2HG1 VAL 74 2HG1 VAL 74 6.693 14.238 -4.986 619 3HG1 VAL 74 3HG1 VAL 74 5.931 12.648 -4.921 620 1HG2 VAL 74 1HG2 VAL 74 4.934 15.321 -2.146 621 2HG2 VAL 74 2HG2 VAL 74 4.333 14.853 -3.738 622 3HG2 VAL 74 3HG2 VAL 74 5.847 15.745 -3.595 623 H SER 75 H SER 75 5.846 10.681 -4.065 624 HA SER 75 HA SER 75 7.417 9.331 -1.915 625 1HB SER 75 1HB SER 75 4.969 8.395 -3.324 626 2HB SER 75 2HB SER 75 6.241 7.201 -3.091 627 HG SER 75 HG SER 75 6.210 8.169 -0.824 628 H THR 76 H THR 76 9.067 7.899 -2.784 629 HA THR 76 HA THR 76 9.496 8.113 -5.742 630 HB THR 76 HB THR 76 11.951 8.402 -5.096 631 HG1 THR 76 HG1 THR 76 11.269 7.719 -2.830 632 1HG2 THR 76 1HG2 THR 76 10.222 10.620 -4.009 633 2HG2 THR 76 2HG2 THR 76 10.249 10.243 -5.731 634 3HG2 THR 76 3HG2 THR 76 11.730 10.746 -4.915 635 H GLY 77 H GLY 77 10.076 6.163 -6.667 636 1HA GLY 77 1HA GLY 77 11.412 4.081 -5.100 637 2HA GLY 77 2HA GLY 77 9.746 3.690 -5.533 638 H PHE 78 H PHE 78 11.221 1.928 -6.665 639 HA PHE 78 HA PHE 78 11.432 2.764 -9.514 640 1HB PHE 78 1HB PHE 78 13.633 1.592 -7.794 641 2HB PHE 78 2HB PHE 78 13.708 1.635 -9.556 642 HD1 PHE 78 HD1 PHE 78 14.556 3.373 -6.619 643 HD2 PHE 78 HD2 PHE 78 13.124 4.025 -10.616 644 HE1 PHE 78 HE1 PHE 78 15.358 5.718 -6.522 645 HE2 PHE 78 HE2 PHE 78 13.925 6.371 -10.521 646 HZ PHE 78 HZ PHE 78 15.043 7.217 -8.474 647 H MET 79 H MET 79 11.281 0.958 -10.971 648 HA MET 79 HA MET 79 10.488 -1.637 -9.682 649 1HB MET 79 1HB MET 79 9.253 0.119 -11.751 650 2HB MET 79 2HB MET 79 9.119 -1.621 -12.010 651 1HG MET 79 1HG MET 79 8.051 -1.935 -9.874 652 2HG MET 79 2HG MET 79 8.381 -0.267 -9.404 653 1HE MET 79 1HE MET 79 5.884 -1.229 -8.858 654 2HE MET 79 2HE MET 79 5.755 0.526 -8.945 655 3HE MET 79 3HE MET 79 4.549 -0.494 -9.740 656 H SER 80 H SER 80 10.709 -3.502 -11.321 657 HA SER 80 HA SER 80 12.775 -3.052 -13.406 658 1HB SER 80 1HB SER 80 13.836 -3.458 -11.127 659 2HB SER 80 2HB SER 80 13.124 -5.068 -11.170 660 HG SER 80 HG SER 80 14.251 -5.383 -13.162 661 H ILE 81 H ILE 81 11.370 -3.845 -15.016 662 HA ILE 81 HA ILE 81 10.871 -6.767 -14.961 663 HB ILE 81 HB ILE 81 8.815 -4.576 -14.863 664 1HG1 ILE 81 1HG1 ILE 81 7.773 -6.769 -13.643 665 2HG1 ILE 81 2HG1 ILE 81 9.496 -7.090 -13.440 666 1HG2 ILE 81 1HG2 ILE 81 8.227 -5.653 -16.934 667 2HG2 ILE 81 2HG2 ILE 81 7.142 -6.290 -15.698 668 3HG2 ILE 81 3HG2 ILE 81 8.514 -7.253 -16.249 669 1HD1 ILE 81 1HD1 ILE 81 8.966 -4.310 -12.896 670 2HD1 ILE 81 2HD1 ILE 81 9.638 -5.536 -11.821 671 3HD1 ILE 81 3HD1 ILE 81 7.891 -5.317 -11.926 672 1H MET 1 1H MET 1 16.413 -1.341 1.062 673 2H MET 1 2H MET 1 15.500 -1.147 2.479 674 3H MET 1 3H MET 1 16.321 0.179 1.807 675 HA MET 1 HA MET 1 14.307 0.663 0.924 676 1HB MET 1 1HB MET 1 15.374 -1.595 -0.804 677 2HB MET 1 2HB MET 1 14.198 -0.392 -1.336 678 1HG MET 1 1HG MET 1 16.349 1.039 -0.167 679 2HG MET 1 2HG MET 1 17.066 -0.173 -1.230 680 1HE MET 1 1HE MET 1 17.331 -0.096 -3.418 681 2HE MET 1 2HE MET 1 15.686 -0.586 -3.818 682 3HE MET 1 3HE MET 1 16.435 0.781 -4.656 683 H THR 2 H THR 2 12.533 -0.969 -0.602 684 HA THR 2 HA THR 2 11.516 -2.913 1.443 685 HB THR 2 HB THR 2 9.480 -1.493 -0.111 686 HG1 THR 2 HG1 THR 2 10.290 0.279 1.693 687 1HG2 THR 2 1HG2 THR 2 9.010 -2.820 1.900 688 2HG2 THR 2 2HG2 THR 2 8.554 -1.136 2.155 689 3HG2 THR 2 3HG2 THR 2 10.048 -1.761 2.854 690 HA PRO 3 HA PRO 3 10.916 -5.203 -2.290 691 1HB PRO 3 1HB PRO 3 10.033 -7.542 -1.182 692 2HB PRO 3 2HB PRO 3 11.722 -7.007 -1.085 693 1HG PRO 3 1HG PRO 3 9.572 -6.863 0.957 694 2HG PRO 3 2HG PRO 3 11.297 -7.202 1.154 695 1HD PRO 3 1HD PRO 3 10.153 -4.781 1.704 696 2HD PRO 3 2HD PRO 3 11.852 -4.994 1.247 697 H ILE 4 H ILE 4 9.208 -5.745 -3.708 698 HA ILE 4 HA ILE 4 6.431 -5.777 -2.617 699 HB ILE 4 HB ILE 4 5.809 -4.093 -4.350 700 1HG1 ILE 4 1HG1 ILE 4 8.606 -3.260 -4.777 701 2HG1 ILE 4 2HG1 ILE 4 8.197 -4.808 -5.517 702 1HG2 ILE 4 1HG2 ILE 4 8.081 -2.837 -2.872 703 2HG2 ILE 4 2HG2 ILE 4 6.815 -3.612 -1.920 704 3HG2 ILE 4 3HG2 ILE 4 6.407 -2.300 -3.025 705 1HD1 ILE 4 1HD1 ILE 4 7.599 -2.253 -6.528 706 2HD1 ILE 4 2HD1 ILE 4 6.066 -2.885 -5.926 707 3HD1 ILE 4 3HD1 ILE 4 6.985 -3.796 -7.125 708 H VAL 5 H VAL 5 4.868 -6.465 -4.406 709 HA VAL 5 HA VAL 5 6.163 -8.005 -6.603 710 HB VAL 5 HB VAL 5 4.546 -9.045 -4.281 711 1HG1 VAL 5 1HG1 VAL 5 4.313 -11.184 -5.561 712 2HG1 VAL 5 2HG1 VAL 5 4.899 -10.348 -6.999 713 3HG1 VAL 5 3HG1 VAL 5 3.375 -9.863 -6.257 714 1HG2 VAL 5 1HG2 VAL 5 7.105 -9.881 -5.679 715 2HG2 VAL 5 2HG2 VAL 5 6.351 -10.799 -4.374 716 3HG2 VAL 5 3HG2 VAL 5 6.960 -9.171 -4.071 717 H HIS 6 H HIS 6 4.967 -7.772 -8.454 718 HA HIS 6 HA HIS 6 2.186 -6.694 -8.207 719 1HB HIS 6 1HB HIS 6 4.497 -6.381 -10.040 720 2HB HIS 6 2HB HIS 6 2.917 -6.412 -10.821 721 HD1 HIS 6 HD1 HIS 6 3.064 -3.849 -11.346 722 HD2 HIS 6 HD2 HIS 6 3.158 -4.763 -7.279 723 HE1 HIS 6 HE1 HIS 6 2.668 -1.672 -10.113 724 H LEU 7 H LEU 7 0.539 -8.108 -8.696 725 HA LEU 7 HA LEU 7 1.198 -10.479 -10.417 726 1HB LEU 7 1HB LEU 7 -0.151 -11.795 -8.967 727 2HB LEU 7 2HB LEU 7 0.778 -10.758 -7.884 728 HG LEU 7 HG LEU 7 -1.347 -9.151 -8.298 729 1HD1 LEU 7 1HD1 LEU 7 -2.449 -11.973 -8.436 730 2HD1 LEU 7 2HD1 LEU 7 -2.436 -10.828 -9.777 731 3HD1 LEU 7 3HD1 LEU 7 -3.398 -10.490 -8.338 732 1HD2 LEU 7 1HD2 LEU 7 -2.135 -11.061 -6.295 733 2HD2 LEU 7 2HD2 LEU 7 -1.433 -9.459 -6.067 734 3HD2 LEU 7 3HD2 LEU 7 -0.383 -10.865 -6.241 735 H LYS 8 H LYS 8 -0.374 -11.058 -11.972 736 HA LYS 8 HA LYS 8 -2.796 -9.312 -12.184 737 1HB LYS 8 1HB LYS 8 -0.692 -8.611 -13.523 738 2HB LYS 8 2HB LYS 8 -1.022 -10.026 -14.521 739 1HG LYS 8 1HG LYS 8 -3.459 -9.030 -14.613 740 2HG LYS 8 2HG LYS 8 -2.646 -7.524 -14.191 741 1HD LYS 8 1HD LYS 8 -1.992 -9.301 -16.560 742 2HD LYS 8 2HD LYS 8 -2.796 -7.731 -16.628 743 1HE LYS 8 1HE LYS 8 -0.031 -8.101 -15.432 744 2HE LYS 8 2HE LYS 8 -0.304 -7.651 -17.128 745 1HZ LYS 8 1HZ LYS 8 -1.167 -6.192 -14.697 746 2HZ LYS 8 2HZ LYS 8 -1.829 -5.879 -16.230 747 3HZ LYS 8 3HZ LYS 8 -0.172 -5.629 -15.950 748 H GLY 9 H GLY 9 -4.429 -10.252 -13.668 749 1HA GLY 9 1HA GLY 9 -4.371 -12.691 -14.990 750 2HA GLY 9 2HA GLY 9 -4.691 -13.123 -13.309 751 H ASP 10 H ASP 10 -6.790 -13.886 -14.336 752 HA ASP 10 HA ASP 10 -8.710 -12.041 -15.406 753 1HB ASP 10 1HB ASP 10 -8.697 -14.772 -14.163 754 2HB ASP 10 2HB ASP 10 -10.247 -13.984 -14.452 755 H ALA 11 H ALA 11 -10.229 -10.749 -14.368 756 HA ALA 11 HA ALA 11 -9.819 -9.676 -11.820 757 1HB ALA 11 1HB ALA 11 -12.640 -9.934 -12.633 758 2HB ALA 11 2HB ALA 11 -11.668 -8.480 -12.406 759 3HB ALA 11 3HB ALA 11 -11.574 -9.375 -13.923 760 H ASN 12 H ASN 12 -12.108 -12.297 -12.675 761 HA ASN 12 HA ASN 12 -13.035 -12.784 -10.010 762 1HB ASN 12 1HB ASN 12 -12.914 -14.331 -12.596 763 2HB ASN 12 2HB ASN 12 -13.615 -15.048 -11.144 764 1HD2 ASN 12 1HD2 ASN 12 -15.553 -13.986 -10.225 765 2HD2 ASN 12 2HD2 ASN 12 -16.504 -12.960 -11.184 766 H THR 13 H THR 13 -10.443 -14.340 -11.925 767 HA THR 13 HA THR 13 -9.731 -16.375 -10.090 768 HB THR 13 HB THR 13 -8.059 -14.728 -12.015 769 HG1 THR 13 HG1 THR 13 -10.035 -16.224 -12.518 770 1HG2 THR 13 1HG2 THR 13 -6.490 -16.593 -11.981 771 2HG2 THR 13 2HG2 THR 13 -7.517 -17.472 -10.848 772 3HG2 THR 13 3HG2 THR 13 -6.707 -15.990 -10.338 773 H LEU 14 H LEU 14 -9.121 -12.928 -9.977 774 HA LEU 14 HA LEU 14 -6.968 -13.111 -7.994 775 1HB LEU 14 1HB LEU 14 -8.718 -10.831 -8.974 776 2HB LEU 14 2HB LEU 14 -7.260 -10.640 -8.001 777 HG LEU 14 HG LEU 14 -7.230 -12.107 -10.641 778 1HD1 LEU 14 1HD1 LEU 14 -6.208 -9.327 -10.521 779 2HD1 LEU 14 2HD1 LEU 14 -7.964 -9.493 -10.484 780 3HD1 LEU 14 3HD1 LEU 14 -7.042 -10.164 -11.830 781 1HD2 LEU 14 1HD2 LEU 14 -5.005 -10.574 -9.297 782 2HD2 LEU 14 2HD2 LEU 14 -4.884 -11.868 -10.488 783 3HD2 LEU 14 3HD2 LEU 14 -5.368 -12.235 -8.832 784 H LYS 15 H LYS 15 -10.465 -12.697 -7.996 785 HA LYS 15 HA LYS 15 -10.870 -11.738 -5.353 786 1HB LYS 15 1HB LYS 15 -12.405 -13.453 -7.300 787 2HB LYS 15 2HB LYS 15 -13.084 -13.062 -5.721 788 1HG LYS 15 1HG LYS 15 -12.029 -10.957 -7.623 789 2HG LYS 15 2HG LYS 15 -13.716 -11.468 -7.602 790 1HD LYS 15 1HD LYS 15 -13.904 -10.823 -5.241 791 2HD LYS 15 2HD LYS 15 -12.204 -10.354 -5.222 792 1HE LYS 15 1HE LYS 15 -12.995 -8.870 -7.320 793 2HE LYS 15 2HE LYS 15 -14.536 -8.948 -6.440 794 1HZ LYS 15 1HZ LYS 15 -13.007 -7.121 -5.712 795 2HZ LYS 15 2HZ LYS 15 -11.943 -8.317 -5.139 796 3HZ LYS 15 3HZ LYS 15 -13.500 -8.170 -4.473 797 H CYS 16 H CYS 16 -10.552 -15.075 -6.570 798 HA CYS 16 HA CYS 16 -11.027 -16.363 -4.033 799 1HB CYS 16 1HB CYS 16 -11.326 -17.550 -6.094 800 2HB CYS 16 2HB CYS 16 -9.694 -17.152 -6.634 801 HG CYS 16 HG CYS 16 -8.830 -19.106 -5.385 802 H LEU 17 H LEU 17 -8.065 -15.278 -5.695 803 HA LEU 17 HA LEU 17 -6.142 -16.507 -4.004 804 1HB LEU 17 1HB LEU 17 -6.292 -14.060 -5.740 805 2HB LEU 17 2HB LEU 17 -4.856 -14.318 -4.749 806 HG LEU 17 HG LEU 17 -5.928 -16.556 -6.451 807 1HD1 LEU 17 1HD1 LEU 17 -5.675 -15.059 -8.197 808 2HD1 LEU 17 2HD1 LEU 17 -4.011 -15.626 -8.054 809 3HD1 LEU 17 3HD1 LEU 17 -4.484 -14.088 -7.332 810 1HD2 LEU 17 1HD2 LEU 17 -3.306 -16.858 -6.512 811 2HD2 LEU 17 2HD2 LEU 17 -4.211 -17.337 -5.075 812 3HD2 LEU 17 3HD2 LEU 17 -3.351 -15.797 -5.104 813 H ARG 18 H ARG 18 -7.545 -13.211 -3.766 814 HA ARG 18 HA ARG 18 -6.295 -12.238 -1.496 815 1HB ARG 18 1HB ARG 18 -7.899 -10.953 -2.749 816 2HB ARG 18 2HB ARG 18 -9.184 -12.108 -2.399 817 1HG ARG 18 1HG ARG 18 -9.027 -11.552 0.005 818 2HG ARG 18 2HG ARG 18 -7.759 -10.379 -0.355 819 1HD ARG 18 1HD ARG 18 -9.888 -9.188 -0.190 820 2HD ARG 18 2HD ARG 18 -9.399 -9.209 -1.897 821 HE ARG 18 HE ARG 18 -11.369 -10.448 -2.265 822 1HH1 ARG 18 1HH2 ARG 18 -12.345 -10.099 0.559 823 2HH1 ARG 18 2HH2 ARG 18 -12.511 -11.743 1.082 824 1HH2 ARG 18 1HH1 ARG 18 -10.574 -13.036 -1.487 825 2HH2 ARG 18 2HH1 ARG 18 -11.509 -13.404 -0.076 826 H TYR 19 H TYR 19 -8.797 -14.739 -1.632 827 HA TYR 19 HA TYR 19 -9.453 -14.796 1.158 828 1HB TYR 19 1HB TYR 19 -10.772 -15.841 -0.642 829 2HB TYR 19 2HB TYR 19 -9.450 -16.962 -0.970 830 HD1 TYR 19 HD1 TYR 19 -11.990 -15.948 1.540 831 HD2 TYR 19 HD2 TYR 19 -9.051 -18.876 0.423 832 HE1 TYR 19 HE1 TYR 19 -12.842 -17.473 3.301 833 HE2 TYR 19 HE2 TYR 19 -9.904 -20.403 2.183 834 HH TYR 19 HH TYR 19 -12.223 -19.349 4.563 835 H ARG 20 H ARG 20 -6.972 -16.522 -0.744 836 HA ARG 20 HA ARG 20 -6.027 -18.181 1.409 837 1HB ARG 20 1HB ARG 20 -4.912 -17.165 -1.210 838 2HB ARG 20 2HB ARG 20 -3.972 -18.230 -0.164 839 1HG ARG 20 1HG ARG 20 -6.128 -19.715 -0.168 840 2HG ARG 20 2HG ARG 20 -6.541 -18.802 -1.620 841 1HD ARG 20 1HD ARG 20 -4.194 -19.398 -2.486 842 2HD ARG 20 2HD ARG 20 -4.135 -20.582 -1.165 843 HE ARG 20 HE ARG 20 -6.311 -21.495 -2.114 844 1HH1 ARG 20 1HH1 ARG 20 -3.593 -21.141 -3.913 845 2HH1 ARG 20 2HH1 ARG 20 -4.363 -21.121 -5.465 846 1HH2 ARG 20 1HH2 ARG 20 -7.564 -20.808 -4.166 847 2HH2 ARG 20 2HH2 ARG 20 -6.612 -20.931 -5.608 848 H PHE 21 H PHE 21 -5.158 -14.926 0.288 849 HA PHE 21 HA PHE 21 -2.805 -14.603 1.908 850 1HB PHE 21 1HB PHE 21 -4.816 -12.730 0.638 851 2HB PHE 21 2HB PHE 21 -3.377 -12.142 1.472 852 HD1 PHE 21 HD1 PHE 21 -2.664 -15.316 0.101 853 HD2 PHE 21 HD2 PHE 21 -3.112 -11.187 -1.010 854 HE1 PHE 21 HE1 PHE 21 -1.314 -15.718 -1.941 855 HE2 PHE 21 HE2 PHE 21 -1.761 -11.592 -3.051 856 HZ PHE 21 HZ PHE 21 -0.864 -13.857 -3.516 857 H LYS 22 H LYS 22 -6.255 -14.028 2.520 858 HA LYS 22 HA LYS 22 -5.990 -12.579 4.975 859 1HB LYS 22 1HB LYS 22 -8.122 -14.457 3.907 860 2HB LYS 22 2HB LYS 22 -8.350 -13.378 5.284 861 1HG LYS 22 1HG LYS 22 -7.317 -12.198 2.741 862 2HG LYS 22 2HG LYS 22 -9.026 -12.624 2.820 863 1HD LYS 22 1HD LYS 22 -9.020 -11.355 5.084 864 2HD LYS 22 2HD LYS 22 -7.503 -10.656 4.518 865 1HE LYS 22 1HE LYS 22 -9.924 -10.629 2.720 866 2HE LYS 22 2HE LYS 22 -9.718 -9.382 3.966 867 1HZ LYS 22 1HZ LYS 22 -8.201 -9.826 1.549 868 2HZ LYS 22 2HZ LYS 22 -7.241 -9.583 2.929 869 3HZ LYS 22 3HZ LYS 22 -8.381 -8.413 2.467 870 H LYS 23 H LYS 23 -6.219 -16.076 4.302 871 HA LYS 23 HA LYS 23 -6.211 -16.844 7.106 872 1HB LYS 23 1HB LYS 23 -6.857 -17.999 4.721 873 2HB LYS 23 2HB LYS 23 -5.287 -18.741 5.029 874 1HG LYS 23 1HG LYS 23 -6.999 -20.134 6.040 875 2HG LYS 23 2HG LYS 23 -6.093 -19.341 7.331 876 1HD LYS 23 1HD LYS 23 -7.921 -17.496 7.175 877 2HD LYS 23 2HD LYS 23 -8.860 -18.717 6.321 878 1HE LYS 23 1HE LYS 23 -9.148 -20.011 8.208 879 2HE LYS 23 2HE LYS 23 -7.566 -19.562 8.876 880 1HZ LYS 23 1HZ LYS 23 -9.696 -17.548 8.535 881 2HZ LYS 23 2HZ LYS 23 -8.340 -17.498 9.557 882 3HZ LYS 23 3HZ LYS 23 -9.646 -18.518 9.924 883 H HIS 24 H HIS 24 -3.729 -16.588 4.564 884 HA HIS 24 HA HIS 24 -1.642 -17.498 6.470 885 1HB HIS 24 1HB HIS 24 -1.713 -16.823 3.515 886 2HB HIS 24 2HB HIS 24 -0.242 -17.302 4.361 887 HD1 HIS 24 HD1 HIS 24 -0.647 -19.667 5.840 888 HD2 HIS 24 HD2 HIS 24 -3.027 -19.016 2.480 889 HE1 HIS 24 HE1 HIS 24 -1.583 -21.925 5.178 890 H CYS 25 H CYS 25 -3.001 -14.902 6.891 891 HA CYS 25 HA CYS 25 -1.508 -12.659 5.986 892 1HB CYS 25 1HB CYS 25 -2.576 -11.553 7.897 893 2HB CYS 25 2HB CYS 25 -3.716 -12.661 7.133 894 HG CYS 25 HG CYS 25 -2.726 -14.391 9.123 895 H THR 26 H THR 26 0.577 -14.403 6.442 896 HA THR 26 HA THR 26 1.992 -13.103 8.717 897 HB THR 26 HB THR 26 2.828 -15.497 9.243 898 HG1 THR 26 HG1 THR 26 0.725 -16.804 8.554 899 1HG2 THR 26 1HG2 THR 26 1.427 -14.557 10.865 900 2HG2 THR 26 2HG2 THR 26 0.540 -16.009 10.398 901 3HG2 THR 26 3HG2 THR 26 0.062 -14.438 9.755 902 H LEU 27 H LEU 27 2.180 -12.834 5.779 903 HA LEU 27 HA LEU 27 5.055 -13.556 5.507 904 1HB LEU 27 1HB LEU 27 2.726 -14.627 4.001 905 2HB LEU 27 2HB LEU 27 4.165 -14.247 3.053 906 HG LEU 27 HG LEU 27 4.189 -15.950 5.561 907 1HD1 LEU 27 1HD1 LEU 27 3.621 -17.736 4.310 908 2HD1 LEU 27 2HD1 LEU 27 4.833 -17.326 3.095 909 3HD1 LEU 27 3HD1 LEU 27 3.218 -16.623 3.002 910 1HD2 LEU 27 1HD2 LEU 27 6.385 -16.470 3.871 911 2HD2 LEU 27 2HD2 LEU 27 6.415 -15.612 5.411 912 3HD2 LEU 27 3HD2 LEU 27 6.223 -14.715 3.905 913 H TYR 28 H TYR 28 2.331 -11.494 4.608 914 HA TYR 28 HA TYR 28 4.211 -9.846 2.961 915 1HB TYR 28 1HB TYR 28 2.059 -9.016 1.933 916 2HB TYR 28 2HB TYR 28 2.340 -10.739 1.690 917 HD1 TYR 28 HD1 TYR 28 1.032 -12.421 2.906 918 HD2 TYR 28 HD2 TYR 28 0.324 -8.218 3.450 919 HE1 TYR 28 HE1 TYR 28 -1.130 -12.930 4.017 920 HE2 TYR 28 HE2 TYR 28 -1.835 -8.724 4.559 921 HH TYR 28 HH TYR 28 -3.290 -10.310 5.112 922 H THR 29 H THR 29 3.697 -7.423 3.150 923 HA THR 29 HA THR 29 3.202 -6.787 6.018 924 HB THR 29 HB THR 29 4.212 -4.854 3.960 925 HG1 THR 29 HG1 THR 29 5.521 -6.474 3.445 926 1HG2 THR 29 1HG2 THR 29 5.356 -3.915 5.788 927 2HG2 THR 29 2HG2 THR 29 5.284 -5.412 6.718 928 3HG2 THR 29 3HG2 THR 29 3.829 -4.441 6.497 929 H ALA 30 H ALA 30 1.982 -6.007 2.766 930 HA ALA 30 HA ALA 30 -0.481 -4.932 3.975 931 1HB ALA 30 1HB ALA 30 1.718 -3.267 3.448 932 2HB ALA 30 2HB ALA 30 0.594 -2.972 2.120 933 3HB ALA 30 3HB ALA 30 0.066 -2.747 3.788 934 H VAL 31 H VAL 31 -2.028 -5.859 2.705 935 HA VAL 31 HA VAL 31 -1.456 -6.526 -0.119 936 HB VAL 31 HB VAL 31 -4.001 -6.927 1.472 937 1HG1 VAL 31 1HG1 VAL 31 -3.910 -9.071 0.006 938 2HG1 VAL 31 2HG1 VAL 31 -2.718 -8.187 -0.946 939 3HG1 VAL 31 3HG1 VAL 31 -4.354 -7.552 -0.771 940 1HG2 VAL 31 1HG2 VAL 31 -2.414 -7.878 2.925 941 2HG2 VAL 31 2HG2 VAL 31 -1.364 -8.381 1.600 942 3HG2 VAL 31 3HG2 VAL 31 -2.871 -9.244 1.906 943 H SER 32 H SER 32 -1.569 -4.601 -1.334 944 HA SER 32 HA SER 32 -3.474 -2.488 -0.879 945 1HB SER 32 1HB SER 32 -2.701 -1.951 -3.297 946 2HB SER 32 2HB SER 32 -1.470 -1.993 -2.037 947 HG SER 32 HG SER 32 -0.593 -3.621 -3.024 948 H SER 33 H SER 33 -5.453 -2.068 -1.957 949 HA SER 33 HA SER 33 -7.095 -4.278 -2.698 950 1HB SER 33 1HB SER 33 -8.589 -2.605 -2.434 951 2HB SER 33 2HB SER 33 -7.257 -1.459 -2.320 952 HG SER 33 HG SER 33 -8.523 -2.388 -4.691 953 H THR 34 H THR 34 -8.043 -4.671 -4.871 954 HA THR 34 HA THR 34 -6.037 -4.938 -6.920 955 HB THR 34 HB THR 34 -7.889 -6.485 -6.690 956 HG1 THR 34 HG1 THR 34 -7.416 -6.419 -8.779 957 1HG2 THR 34 1HG2 THR 34 -9.871 -5.682 -5.995 958 2HG2 THR 34 2HG2 THR 34 -10.124 -5.045 -7.619 959 3HG2 THR 34 3HG2 THR 34 -9.384 -4.032 -6.380 960 H TRP 35 H TRP 35 -5.643 -3.666 -8.722 961 HA TRP 35 HA TRP 35 -7.448 -1.383 -9.339 962 1HB TRP 35 1HB TRP 35 -5.497 0.162 -9.247 963 2HB TRP 35 2HB TRP 35 -5.812 -0.578 -7.678 964 HD1 TRP 35 HD1 TRP 35 -4.150 -2.507 -6.862 965 HE1 TRP 35 HE1 TRP 35 -1.712 -3.039 -7.512 966 HE3 TRP 35 HE3 TRP 35 -3.776 0.204 -11.172 967 HZ2 TRP 35 HZ2 TRP 35 0.151 -2.398 -9.589 968 HZ3 TRP 35 HZ3 TRP 35 -1.661 0.230 -12.465 969 HH2 TRP 35 HH2 TRP 35 0.301 -1.067 -11.680 970 H HIS 36 H HIS 36 -6.190 -0.174 -11.360 971 HA HIS 36 HA HIS 36 -4.718 -2.056 -13.071 972 1HB HIS 36 1HB HIS 36 -6.548 -2.158 -14.755 973 2HB HIS 36 2HB HIS 36 -7.027 -2.877 -13.218 974 HD1 HIS 36 HD1 HIS 36 -9.356 -2.213 -12.667 975 HD2 HIS 36 HD2 HIS 36 -7.284 0.901 -14.508 976 HE1 HIS 36 HE1 HIS 36 -10.948 -0.245 -12.752 977 H TRP 37 H TRP 37 -4.533 -1.054 -15.358 978 HA TRP 37 HA TRP 37 -3.665 1.725 -15.070 979 1HB TRP 37 1HB TRP 37 -3.848 -0.115 -17.479 980 2HB TRP 37 2HB TRP 37 -2.892 1.365 -17.380 981 HD1 TRP 37 HD1 TRP 37 -2.442 -2.185 -17.120 982 HE1 TRP 37 HE1 TRP 37 -0.364 -2.800 -15.722 983 HE3 TRP 37 HE3 TRP 37 -1.553 2.300 -14.844 984 HZ2 TRP 37 HZ2 TRP 37 1.435 -1.553 -13.880 985 HZ3 TRP 37 HZ3 TRP 37 0.348 2.558 -13.273 986 HH2 TRP 37 HH2 TRP 37 1.842 0.638 -12.789 987 H THR 38 H THR 38 -5.090 3.400 -15.269 988 HA THR 38 HA THR 38 -7.662 3.025 -16.675 989 HB THR 38 HB THR 38 -6.504 5.464 -15.296 990 HG1 THR 38 HG1 THR 38 -7.879 3.209 -14.284 991 1HG2 THR 38 1HG2 THR 38 -8.501 6.400 -15.724 992 2HG2 THR 38 2HG2 THR 38 -9.337 5.028 -14.997 993 3HG2 THR 38 3HG2 THR 38 -8.907 4.994 -16.707 994 H GLY 39 H GLY 39 -6.866 2.891 -18.896 995 1HA GLY 39 1HA GLY 39 -6.089 5.562 -19.979 996 2HA GLY 39 2HA GLY 39 -5.245 4.109 -20.515 997 H HIS 40 H HIS 40 -6.660 5.770 -22.320 998 HA HIS 40 HA HIS 40 -9.327 5.100 -22.905 999 1HB HIS 40 1HB HIS 40 -7.314 6.575 -24.024 1000 2HB HIS 40 2HB HIS 40 -7.446 5.257 -25.189 1001 HD1 HIS 40 HD1 HIS 40 -10.147 7.096 -23.211 1002 HD2 HIS 40 HD2 HIS 40 -9.129 6.215 -27.157 1003 HE1 HIS 40 HE1 HIS 40 -12.020 8.004 -24.654 1004 H ASN 41 H ASN 41 -6.475 3.580 -24.470 1005 HA ASN 41 HA ASN 41 -8.125 1.229 -25.185 1006 1HB ASN 41 1HB ASN 41 -5.241 2.013 -25.725 1007 2HB ASN 41 2HB ASN 41 -6.071 0.644 -26.464 1008 1HD2 ASN 41 1HD2 ASN 41 -8.549 1.668 -27.143 1009 2HD2 ASN 41 2HD2 ASN 41 -8.383 2.976 -28.212 1010 H VAL 42 H VAL 42 -8.408 0.237 -23.083 1011 HA VAL 42 HA VAL 42 -5.985 -1.211 -22.134 1012 HB VAL 42 HB VAL 42 -6.331 0.977 -20.899 1013 1HG1 VAL 42 1HG1 VAL 42 -8.216 0.849 -19.174 1014 2HG1 VAL 42 2HG1 VAL 42 -8.887 -0.457 -20.150 1015 3HG1 VAL 42 3HG1 VAL 42 -8.709 1.157 -20.838 1016 1HG2 VAL 42 1HG2 VAL 42 -5.691 -1.579 -19.943 1017 2HG2 VAL 42 2HG2 VAL 42 -6.813 -0.923 -18.749 1018 3HG2 VAL 42 3HG2 VAL 42 -5.336 -0.044 -19.150 1019 H LYS 43 H LYS 43 -8.877 -1.602 -23.382 1020 HA LYS 43 HA LYS 43 -10.525 -3.046 -21.605 1021 1HB LYS 43 1HB LYS 43 -10.897 -2.303 -24.024 1022 2HB LYS 43 2HB LYS 43 -9.990 -3.737 -24.507 1023 1HG LYS 43 1HG LYS 43 -11.630 -5.201 -23.749 1024 2HG LYS 43 2HG LYS 43 -12.262 -4.046 -22.574 1025 1HD LYS 43 1HD LYS 43 -13.290 -2.727 -24.318 1026 2HD LYS 43 2HD LYS 43 -12.505 -3.687 -25.573 1027 1HE LYS 43 1HE LYS 43 -14.767 -4.511 -25.405 1028 2HE LYS 43 2HE LYS 43 -13.747 -5.713 -24.588 1029 1HZ LYS 43 1HZ LYS 43 -14.353 -4.966 -22.516 1030 2HZ LYS 43 2HZ LYS 43 -15.807 -4.732 -23.363 1031 3HZ LYS 43 3HZ LYS 43 -14.774 -3.418 -23.065 1032 H HIS 44 H HIS 44 -7.416 -3.876 -22.870 1033 HA HIS 44 HA HIS 44 -7.453 -6.696 -22.940 1034 1HB HIS 44 1HB HIS 44 -5.247 -4.948 -21.813 1035 2HB HIS 44 2HB HIS 44 -5.068 -6.481 -22.667 1036 HD1 HIS 44 HD1 HIS 44 -5.659 -6.465 -25.261 1037 HD2 HIS 44 HD2 HIS 44 -5.475 -2.702 -23.476 1038 HE1 HIS 44 HE1 HIS 44 -5.531 -4.782 -27.149 1039 H LYS 45 H LYS 45 -6.168 -4.828 -20.165 1040 HA LYS 45 HA LYS 45 -7.309 -6.933 -18.351 1041 1HB LYS 45 1HB LYS 45 -4.676 -5.443 -18.390 1042 2HB LYS 45 2HB LYS 45 -5.242 -6.297 -16.954 1043 1HG LYS 45 1HG LYS 45 -5.234 -7.732 -19.587 1044 2HG LYS 45 2HG LYS 45 -3.715 -7.543 -18.710 1045 1HD LYS 45 1HD LYS 45 -4.859 -8.495 -16.676 1046 2HD LYS 45 2HD LYS 45 -6.253 -8.851 -17.697 1047 1HE LYS 45 1HE LYS 45 -5.086 -10.470 -18.947 1048 2HE LYS 45 2HE LYS 45 -3.501 -9.821 -18.479 1049 1HZ LYS 45 1HZ LYS 45 -5.195 -10.564 -16.259 1050 2HZ LYS 45 2HZ LYS 45 -3.547 -10.885 -16.522 1051 3HZ LYS 45 3HZ LYS 45 -4.732 -11.874 -17.233 1052 H SER 46 H SER 46 -7.644 -6.069 -16.073 1053 HA SER 46 HA SER 46 -7.810 -3.185 -15.667 1054 1HB SER 46 1HB SER 46 -10.306 -3.161 -15.602 1055 2HB SER 46 2HB SER 46 -9.685 -3.552 -17.203 1056 HG SER 46 HG SER 46 -10.364 -5.511 -15.269 1057 H ALA 47 H ALA 47 -6.745 -5.536 -14.238 1058 HA ALA 47 HA ALA 47 -7.856 -4.959 -11.597 1059 1HB ALA 47 1HB ALA 47 -9.565 -6.464 -12.392 1060 2HB ALA 47 2HB ALA 47 -8.359 -7.590 -13.013 1061 3HB ALA 47 3HB ALA 47 -8.557 -7.381 -11.273 1062 H ILE 48 H ILE 48 -5.889 -4.757 -10.586 1063 HA ILE 48 HA ILE 48 -4.035 -7.098 -10.659 1064 HB ILE 48 HB ILE 48 -3.123 -4.222 -10.916 1065 1HG1 ILE 48 1HG1 ILE 48 -3.595 -6.224 -13.149 1066 2HG1 ILE 48 2HG1 ILE 48 -4.589 -4.800 -12.839 1067 1HG2 ILE 48 1HG2 ILE 48 -1.026 -5.093 -11.124 1068 2HG2 ILE 48 2HG2 ILE 48 -1.589 -6.486 -12.047 1069 3HG2 ILE 48 3HG2 ILE 48 -1.728 -6.478 -10.289 1070 1HD1 ILE 48 1HD1 ILE 48 -1.631 -4.436 -13.147 1071 2HD1 ILE 48 2HD1 ILE 48 -2.942 -3.324 -13.541 1072 3HD1 ILE 48 3HD1 ILE 48 -2.604 -4.698 -14.595 1073 H VAL 49 H VAL 49 -3.022 -7.437 -8.651 1074 HA VAL 49 HA VAL 49 -3.586 -5.407 -6.510 1075 HB VAL 49 HB VAL 49 -3.581 -8.442 -6.414 1076 1HG1 VAL 49 1HG1 VAL 49 -2.717 -7.198 -4.347 1077 2HG1 VAL 49 2HG1 VAL 49 -4.095 -8.269 -4.090 1078 3HG1 VAL 49 3HG1 VAL 49 -4.340 -6.527 -4.199 1079 1HG2 VAL 49 1HG2 VAL 49 -5.840 -8.340 -6.636 1080 2HG2 VAL 49 2HG2 VAL 49 -5.562 -6.721 -7.280 1081 3HG2 VAL 49 3HG2 VAL 49 -5.964 -6.935 -5.576 1082 H THR 50 H THR 50 -1.692 -4.589 -5.706 1083 HA THR 50 HA THR 50 0.843 -6.072 -6.144 1084 HB THR 50 HB THR 50 0.086 -3.286 -5.220 1085 HG1 THR 50 HG1 THR 50 0.689 -2.735 -7.204 1086 1HG2 THR 50 1HG2 THR 50 2.729 -3.083 -5.668 1087 2HG2 THR 50 2HG2 THR 50 2.675 -4.747 -5.086 1088 3HG2 THR 50 3HG2 THR 50 2.068 -3.438 -4.072 1089 H LEU 51 H LEU 51 2.326 -6.411 -4.310 1090 HA LEU 51 HA LEU 51 0.995 -6.383 -1.628 1091 1HB LEU 51 1HB LEU 51 2.526 -8.627 -2.985 1092 2HB LEU 51 2HB LEU 51 1.971 -8.668 -1.312 1093 HG LEU 51 HG LEU 51 -0.203 -7.893 -3.050 1094 1HD1 LEU 51 1HD1 LEU 51 0.969 -9.138 -4.792 1095 2HD1 LEU 51 2HD1 LEU 51 -0.415 -10.082 -4.237 1096 3HD1 LEU 51 3HD1 LEU 51 1.212 -10.498 -3.695 1097 1HD2 LEU 51 1HD2 LEU 51 -0.019 -10.537 -1.650 1098 2HD2 LEU 51 2HD2 LEU 51 -1.372 -9.408 -1.731 1099 3HD2 LEU 51 3HD2 LEU 51 -0.001 -9.066 -0.675 1100 H THR 52 H THR 52 2.321 -5.535 -0.073 1101 HA THR 52 HA THR 52 5.140 -4.920 -0.795 1102 HB THR 52 HB THR 52 4.929 -3.433 1.211 1103 HG1 THR 52 HG1 THR 52 3.378 -4.790 2.270 1104 1HG2 THR 52 1HG2 THR 52 3.200 -3.334 -1.185 1105 2HG2 THR 52 2HG2 THR 52 4.334 -2.136 -0.562 1106 3HG2 THR 52 3HG2 THR 52 2.718 -2.266 0.133 1107 H TYR 53 H TYR 53 6.788 -6.128 0.055 1108 HA TYR 53 HA TYR 53 6.160 -8.014 2.289 1109 1HB TYR 53 1HB TYR 53 8.270 -7.876 0.119 1110 2HB TYR 53 2HB TYR 53 8.332 -9.058 1.428 1111 HD1 TYR 53 HD1 TYR 53 5.978 -7.723 -1.171 1112 HD2 TYR 53 HD2 TYR 53 7.223 -11.102 1.173 1113 HE1 TYR 53 HE1 TYR 53 4.375 -9.165 -2.397 1114 HE2 TYR 53 HE2 TYR 53 5.619 -12.543 -0.054 1115 HH TYR 53 HH TYR 53 4.257 -11.758 -2.911 1116 H ASP 54 H ASP 54 7.473 -7.989 4.171 1117 HA ASP 54 HA ASP 54 8.861 -5.452 4.709 1118 1HB ASP 54 1HB ASP 54 7.263 -7.070 6.154 1119 2HB ASP 54 2HB ASP 54 8.831 -7.715 6.644 1120 H SER 55 H SER 55 9.781 -8.500 3.505 1121 HA SER 55 HA SER 55 12.621 -7.809 3.732 1122 1HB SER 55 1HB SER 55 13.145 -9.851 5.072 1123 2HB SER 55 2HB SER 55 12.137 -8.709 5.956 1124 HG SER 55 HG SER 55 10.715 -10.236 6.087 1125 H GLU 56 H GLU 56 13.704 -8.724 2.014 1126 HA GLU 56 HA GLU 56 12.435 -10.038 -0.118 1127 1HB GLU 56 1HB GLU 56 15.087 -9.321 0.765 1128 2HB GLU 56 2HB GLU 56 15.133 -10.916 0.014 1129 1HG GLU 56 1HG GLU 56 13.452 -9.412 -1.643 1130 2HG GLU 56 2HG GLU 56 14.768 -8.312 -1.229 1131 H TRP 57 H TRP 57 14.111 -11.449 2.692 1132 HA TRP 57 HA TRP 57 14.117 -14.170 1.977 1133 1HB TRP 57 1HB TRP 57 14.825 -12.679 4.118 1134 2HB TRP 57 2HB TRP 57 13.350 -13.407 4.754 1135 HD1 TRP 57 HD1 TRP 57 13.360 -15.959 5.282 1136 HE1 TRP 57 HE1 TRP 57 15.213 -17.752 5.336 1137 HE3 TRP 57 HE3 TRP 57 17.111 -13.417 2.924 1138 HZ2 TRP 57 HZ2 TRP 57 17.929 -18.063 4.488 1139 HZ3 TRP 57 HZ3 TRP 57 19.318 -14.483 2.559 1140 HH2 TRP 57 HH2 TRP 57 19.731 -16.802 3.338 1141 H GLN 58 H GLN 58 11.586 -12.459 3.853 1142 HA GLN 58 HA GLN 58 9.715 -14.568 3.999 1143 1HB GLN 58 1HB GLN 58 9.715 -12.364 5.204 1144 2HB GLN 58 2HB GLN 58 9.184 -11.594 3.709 1145 1HG GLN 58 1HG GLN 58 7.151 -12.933 3.687 1146 2HG GLN 58 2HG GLN 58 7.694 -13.836 5.102 1147 1HE2 GLN 58 1HE2 GLN 58 7.464 -10.322 4.259 1148 2HE2 GLN 58 2HE2 GLN 58 6.701 -9.881 5.710 1149 H ARG 59 H ARG 59 10.257 -12.200 1.391 1150 HA ARG 59 HA ARG 59 7.934 -12.748 -0.163 1151 1HB ARG 59 1HB ARG 59 9.465 -10.875 -0.553 1152 2HB ARG 59 2HB ARG 59 10.768 -11.996 -0.956 1153 1HG ARG 59 1HG ARG 59 9.036 -12.897 -2.733 1154 2HG ARG 59 2HG ARG 59 8.313 -11.300 -2.536 1155 1HD ARG 59 1HD ARG 59 9.917 -11.158 -4.355 1156 2HD ARG 59 2HD ARG 59 10.630 -10.321 -2.963 1157 HE ARG 59 HE ARG 59 11.848 -12.482 -2.474 1158 1HH1 ARG 59 1HH1 ARG 59 10.272 -14.078 -4.535 1159 2HH1 ARG 59 2HH1 ARG 59 11.427 -14.200 -5.820 1160 1HH2 ARG 59 1HH2 ARG 59 13.460 -11.674 -4.589 1161 2HH2 ARG 59 2HH2 ARG 59 13.232 -12.839 -5.851 1162 H ASP 60 H ASP 60 11.020 -14.459 0.110 1163 HA ASP 60 HA ASP 60 10.811 -16.160 -2.163 1164 1HB ASP 60 1HB ASP 60 12.498 -15.720 0.035 1165 2HB ASP 60 2HB ASP 60 12.020 -17.414 0.163 1166 H GLN 61 H GLN 61 10.091 -17.070 1.244 1167 HA GLN 61 HA GLN 61 8.823 -19.534 0.560 1168 1HB GLN 61 1HB GLN 61 7.908 -19.170 2.952 1169 2HB GLN 61 2HB GLN 61 9.651 -19.256 2.753 1170 1HG GLN 61 1HG GLN 61 8.624 -16.545 2.396 1171 2HG GLN 61 2HG GLN 61 8.242 -17.197 3.990 1172 1HE2 GLN 61 1HE2 GLN 61 9.828 -16.274 5.334 1173 2HE2 GLN 61 2HE2 GLN 61 11.498 -16.367 5.043 1174 H PHE 62 H PHE 62 7.653 -16.259 0.478 1175 HA PHE 62 HA PHE 62 4.879 -16.616 0.927 1176 1HB PHE 62 1HB PHE 62 5.794 -14.423 0.706 1177 2HB PHE 62 2HB PHE 62 6.510 -14.801 -0.862 1178 HD1 PHE 62 HD1 PHE 62 3.349 -14.105 0.931 1179 HD2 PHE 62 HD2 PHE 62 5.186 -14.797 -2.890 1180 HE1 PHE 62 HE1 PHE 62 1.279 -13.338 -0.203 1181 HE2 PHE 62 HE2 PHE 62 3.118 -14.030 -4.024 1182 HZ PHE 62 HZ PHE 62 1.164 -13.301 -2.681 1183 H LEU 63 H LEU 63 6.402 -16.378 -2.299 1184 HA LEU 63 HA LEU 63 4.199 -17.381 -3.774 1185 1HB LEU 63 1HB LEU 63 6.101 -17.866 -5.464 1186 2HB LEU 63 2HB LEU 63 5.911 -16.204 -4.904 1187 HG LEU 63 HG LEU 63 7.605 -17.574 -3.050 1188 1HD1 LEU 63 1HD1 LEU 63 8.836 -18.965 -4.318 1189 2HD1 LEU 63 2HD1 LEU 63 9.293 -17.602 -5.341 1190 3HD1 LEU 63 3HD1 LEU 63 7.864 -18.559 -5.733 1191 1HD2 LEU 63 1HD2 LEU 63 7.468 -15.113 -3.714 1192 2HD2 LEU 63 2HD2 LEU 63 8.387 -15.545 -5.156 1193 3HD2 LEU 63 3HD2 LEU 63 9.097 -15.770 -3.557 1194 H SER 64 H SER 64 6.976 -19.150 -2.361 1195 HA SER 64 HA SER 64 6.360 -21.689 -3.549 1196 1HB SER 64 1HB SER 64 8.272 -22.213 -2.444 1197 2HB SER 64 2HB SER 64 8.309 -20.529 -1.929 1198 HG SER 64 HG SER 64 7.286 -22.795 -0.585 1199 H GLN 65 H GLN 65 4.972 -19.951 -0.876 1200 HA GLN 65 HA GLN 65 3.641 -22.373 0.209 1201 1HB GLN 65 1HB GLN 65 3.686 -19.448 1.029 1202 2HB GLN 65 2HB GLN 65 2.917 -20.738 1.954 1203 1HG GLN 65 1HG GLN 65 5.796 -21.051 1.165 1204 2HG GLN 65 2HG GLN 65 5.393 -19.987 2.512 1205 1HE2 GLN 65 1HE2 GLN 65 5.935 -21.238 4.333 1206 2HE2 GLN 65 2HE2 GLN 65 5.336 -22.798 4.629 1207 H VAL 66 H VAL 66 2.936 -19.432 -1.610 1208 HA VAL 66 HA VAL 66 0.022 -20.037 -1.583 1209 HB VAL 66 HB VAL 66 -0.148 -17.791 -2.544 1210 1HG1 VAL 66 1HG1 VAL 66 1.145 -18.418 -0.052 1211 2HG1 VAL 66 2HG1 VAL 66 0.069 -17.071 -0.424 1212 3HG1 VAL 66 3HG1 VAL 66 1.806 -16.909 -0.683 1213 1HG2 VAL 66 1HG2 VAL 66 2.284 -16.629 -2.619 1214 2HG2 VAL 66 2HG2 VAL 66 1.568 -17.409 -4.029 1215 3HG2 VAL 66 3HG2 VAL 66 2.749 -18.275 -3.048 1216 H LYS 67 H LYS 67 0.211 -21.971 -2.951 1217 HA LYS 67 HA LYS 67 1.441 -22.432 -5.344 1218 1HB LYS 67 1HB LYS 67 -0.145 -23.962 -4.333 1219 2HB LYS 67 2HB LYS 67 -1.472 -22.833 -4.607 1220 1HG LYS 67 1HG LYS 67 -1.606 -23.316 -6.849 1221 2HG LYS 67 2HG LYS 67 0.122 -23.641 -6.988 1222 1HD LYS 67 1HD LYS 67 -1.082 -25.568 -5.214 1223 2HD LYS 67 2HD LYS 67 -1.960 -25.539 -6.744 1224 1HE LYS 67 1HE LYS 67 0.997 -25.463 -6.996 1225 2HE LYS 67 2HE LYS 67 0.317 -26.984 -6.384 1226 1HZ LYS 67 1HZ LYS 67 -1.103 -27.169 -8.223 1227 2HZ LYS 67 2HZ LYS 67 0.391 -26.711 -8.893 1228 3HZ LYS 67 3HZ LYS 67 -0.847 -25.564 -8.706 1229 H ILE 68 H ILE 68 1.844 -20.818 -6.838 1230 HA ILE 68 HA ILE 68 -0.295 -18.934 -7.621 1231 HB ILE 68 HB ILE 68 2.218 -18.467 -7.181 1232 1HG1 ILE 68 1HG1 ILE 68 1.275 -17.476 -9.860 1233 2HG1 ILE 68 2HG1 ILE 68 0.410 -17.022 -8.392 1234 1HG2 ILE 68 1HG2 ILE 68 3.691 -18.787 -9.100 1235 2HG2 ILE 68 2HG2 ILE 68 2.372 -19.498 -10.030 1236 3HG2 ILE 68 3HG2 ILE 68 3.017 -20.345 -8.624 1237 1HD1 ILE 68 1HD1 ILE 68 1.944 -15.411 -8.053 1238 2HD1 ILE 68 2HD1 ILE 68 2.907 -15.986 -9.414 1239 3HD1 ILE 68 3HD1 ILE 68 3.149 -16.674 -7.809 1240 HA PRO 69 HA PRO 69 -1.398 -21.655 -10.949 1241 1HB PRO 69 1HB PRO 69 -3.101 -19.954 -12.251 1242 2HB PRO 69 2HB PRO 69 -3.560 -20.849 -10.788 1243 1HG PRO 69 1HG PRO 69 -2.715 -18.011 -11.081 1244 2HG PRO 69 2HG PRO 69 -3.963 -18.717 -10.042 1245 1HD PRO 69 1HD PRO 69 -1.503 -17.989 -9.139 1246 2HD PRO 69 2HD PRO 69 -2.467 -19.291 -8.410 1247 H LYS 70 H LYS 70 -1.610 -21.167 -13.516 1248 HA LYS 70 HA LYS 70 0.986 -20.002 -14.294 1249 1HB LYS 70 1HB LYS 70 -0.498 -22.152 -15.082 1250 2HB LYS 70 2HB LYS 70 -0.950 -20.977 -16.318 1251 1HG LYS 70 1HG LYS 70 1.625 -20.525 -16.462 1252 2HG LYS 70 2HG LYS 70 1.766 -22.105 -15.691 1253 1HD LYS 70 1HD LYS 70 0.726 -23.214 -17.490 1254 2HD LYS 70 2HD LYS 70 0.017 -21.724 -18.115 1255 1HE LYS 70 1HE LYS 70 1.802 -21.968 -19.594 1256 2HE LYS 70 2HE LYS 70 2.602 -21.028 -18.318 1257 1HZ LYS 70 1HZ LYS 70 3.730 -22.813 -17.579 1258 2HZ LYS 70 2HZ LYS 70 3.460 -23.422 -19.141 1259 3HZ LYS 70 3HZ LYS 70 2.448 -23.888 -17.858 1260 H THR 71 H THR 71 -2.270 -18.949 -14.075 1261 HA THR 71 HA THR 71 -2.123 -17.022 -16.294 1262 HB THR 71 HB THR 71 -4.296 -16.361 -14.755 1263 HG1 THR 71 HG1 THR 71 -3.931 -17.916 -13.227 1264 1HG2 THR 71 1HG2 THR 71 -4.493 -18.796 -16.478 1265 2HG2 THR 71 2HG2 THR 71 -3.930 -17.296 -17.215 1266 3HG2 THR 71 3HG2 THR 71 -5.515 -17.359 -16.446 1267 H ILE 72 H ILE 72 -1.064 -17.130 -13.046 1268 HA ILE 72 HA ILE 72 -1.264 -14.194 -12.641 1269 HB ILE 72 HB ILE 72 -0.474 -16.609 -11.009 1270 1HG1 ILE 72 1HG1 ILE 72 -2.882 -15.930 -11.268 1271 2HG1 ILE 72 2HG1 ILE 72 -2.316 -15.885 -9.598 1272 1HG2 ILE 72 1HG2 ILE 72 1.175 -14.927 -10.429 1273 2HG2 ILE 72 2HG2 ILE 72 -0.019 -15.001 -9.132 1274 3HG2 ILE 72 3HG2 ILE 72 -0.074 -13.687 -10.307 1275 1HD1 ILE 72 1HD1 ILE 72 -1.807 -13.357 -10.931 1276 2HD1 ILE 72 2HD1 ILE 72 -2.709 -13.672 -9.448 1277 3HD1 ILE 72 3HD1 ILE 72 -3.516 -13.780 -11.012 1278 H THR 73 H THR 73 0.426 -12.925 -13.376 1279 HA THR 73 HA THR 73 3.037 -14.207 -13.979 1280 HB THR 73 HB THR 73 1.752 -11.523 -14.565 1281 HG1 THR 73 HG1 THR 73 2.378 -13.838 -16.061 1282 1HG2 THR 73 1HG2 THR 73 4.538 -12.237 -14.525 1283 2HG2 THR 73 2HG2 THR 73 3.801 -10.696 -14.962 1284 3HG2 THR 73 3HG2 THR 73 4.033 -11.941 -16.188 1285 H VAL 74 H VAL 74 4.860 -13.783 -12.733 1286 HA VAL 74 HA VAL 74 4.478 -12.274 -10.236 1287 HB VAL 74 HB VAL 74 6.939 -13.675 -11.307 1288 1HG1 VAL 74 1HG1 VAL 74 7.681 -12.766 -9.345 1289 2HG1 VAL 74 2HG1 VAL 74 6.832 -14.137 -8.633 1290 3HG1 VAL 74 3HG1 VAL 74 6.049 -12.559 -8.708 1291 1HG2 VAL 74 1HG2 VAL 74 5.104 -15.246 -11.486 1292 2HG2 VAL 74 2HG2 VAL 74 4.504 -14.796 -9.889 1293 3HG2 VAL 74 3HG2 VAL 74 6.031 -15.665 -10.044 1294 H SER 75 H SER 75 5.939 -10.604 -9.554 1295 HA SER 75 HA SER 75 7.507 -9.224 -11.687 1296 1HB SER 75 1HB SER 75 5.045 -8.321 -10.273 1297 2HB SER 75 2HB SER 75 6.300 -7.111 -10.525 1298 HG SER 75 HG SER 75 6.254 -8.136 -12.785 1299 H THR 76 H THR 76 9.132 -7.775 -10.804 1300 HA THR 76 HA THR 76 9.546 -7.992 -7.843 1301 HB THR 76 HB THR 76 12.009 -8.248 -8.473 1302 HG1 THR 76 HG1 THR 76 11.323 -7.578 -10.749 1303 1HG2 THR 76 1HG2 THR 76 10.305 -10.486 -9.563 1304 2HG2 THR 76 2HG2 THR 76 10.344 -10.113 -7.841 1305 3HG2 THR 76 3HG2 THR 76 11.822 -10.598 -8.671 1306 H GLY 77 H GLY 77 10.087 -6.036 -6.910 1307 1HA GLY 77 1HA GLY 77 11.419 -3.935 -8.456 1308 2HA GLY 77 2HA GLY 77 9.745 -3.562 -8.042 1309 H PHE 78 H PHE 78 11.189 -1.790 -6.890 1310 HA PHE 78 HA PHE 78 11.385 -2.626 -4.040 1311 1HB PHE 78 1HB PHE 78 13.579 -1.415 -5.745 1312 2HB PHE 78 2HB PHE 78 13.646 -1.464 -3.984 1313 HD1 PHE 78 HD1 PHE 78 14.555 -3.173 -6.915 1314 HD2 PHE 78 HD2 PHE 78 13.068 -3.871 -2.943 1315 HE1 PHE 78 HE1 PHE 78 15.388 -5.508 -7.013 1316 HE2 PHE 78 HE2 PHE 78 13.902 -6.205 -3.042 1317 HZ PHE 78 HZ PHE 78 15.061 -7.024 -5.076 1318 H MET 79 H MET 79 11.202 -0.818 -2.584 1319 HA MET 79 HA MET 79 10.379 1.764 -3.877 1320 1HB MET 79 1HB MET 79 9.143 -0.014 -1.828 1321 2HB MET 79 2HB MET 79 8.984 1.723 -1.563 1322 1HG MET 79 1HG MET 79 7.942 2.031 -3.717 1323 2HG MET 79 2HG MET 79 8.288 0.365 -4.179 1324 1HE MET 79 1HE MET 79 5.798 1.279 -4.772 1325 2HE MET 79 2HE MET 79 5.670 -0.475 -4.654 1326 3HE MET 79 3HE MET 79 4.452 0.557 -3.893 1327 H SER 80 H SER 80 10.572 3.639 -2.262 1328 HA SER 80 HA SER 80 12.615 3.218 -0.145 1329 1HB SER 80 1HB SER 80 13.689 3.645 -2.417 1330 2HB SER 80 2HB SER 80 12.955 5.246 -2.371 1331 HG SER 80 HG SER 80 14.052 5.532 -0.337 1332 H ILE 81 H ILE 81 11.192 3.987 1.455 1333 HA ILE 81 HA ILE 81 10.647 6.899 1.396 1334 HB ILE 81 HB ILE 81 8.621 4.683 1.275 1335 1HG1 ILE 81 1HG1 ILE 81 7.564 6.864 0.048 1336 2HG1 ILE 81 2HG1 ILE 81 9.285 7.210 -0.133 1337 1HG2 ILE 81 1HG2 ILE 81 7.998 5.748 3.342 1338 2HG2 ILE 81 2HG2 ILE 81 6.919 6.376 2.098 1339 3HG2 ILE 81 3HG2 ILE 81 8.273 7.353 2.664 1340 1HD1 ILE 81 1HD1 ILE 81 8.810 4.427 -0.700 1341 2HD1 ILE 81 2HD1 ILE 81 9.461 5.673 -1.765 1342 3HD1 ILE 81 3HD1 ILE 81 7.719 5.416 -1.670 Start of MODEL 11 1 1H MET 1 1H MET 1 14.836 0.263 -15.851 2 2H MET 1 2H MET 1 14.679 -1.396 -15.522 3 3H MET 1 3H MET 1 15.790 -0.455 -14.647 4 HA MET 1 HA MET 1 13.187 -1.031 -13.920 5 1HB MET 1 1HB MET 1 15.444 0.771 -13.075 6 2HB MET 1 2HB MET 1 13.925 0.801 -12.178 7 1HG MET 1 1HG MET 1 14.855 -0.927 -11.018 8 2HG MET 1 2HG MET 1 14.331 -1.888 -12.399 9 1HE MET 1 1HE MET 1 18.088 -0.917 -10.594 10 2HE MET 1 2HE MET 1 16.463 -1.359 -10.077 11 3HE MET 1 3HE MET 1 17.613 -2.613 -10.567 12 H THR 2 H THR 2 12.024 1.152 -12.803 13 HA THR 2 HA THR 2 11.676 3.216 -14.922 14 HB THR 2 HB THR 2 10.097 1.397 -15.417 15 HG1 THR 2 HG1 THR 2 8.968 3.104 -15.891 16 1HG2 THR 2 1HG2 THR 2 8.446 1.696 -13.035 17 2HG2 THR 2 2HG2 THR 2 10.057 1.095 -12.643 18 3HG2 THR 2 3HG2 THR 2 9.049 0.226 -13.801 19 HA PRO 3 HA PRO 3 10.717 5.466 -11.235 20 1HB PRO 3 1HB PRO 3 9.827 7.808 -12.320 21 2HB PRO 3 2HB PRO 3 11.518 7.281 -12.427 22 1HG PRO 3 1HG PRO 3 9.377 7.196 -14.470 23 2HG PRO 3 2HG PRO 3 11.114 7.472 -14.663 24 1HD PRO 3 1HD PRO 3 9.826 5.090 -15.196 25 2HD PRO 3 2HD PRO 3 11.561 5.255 -14.861 26 H ILE 4 H ILE 4 9.002 5.991 -9.818 27 HA ILE 4 HA ILE 4 6.233 6.051 -10.924 28 HB ILE 4 HB ILE 4 5.713 4.435 -8.939 29 1HG1 ILE 4 1HG1 ILE 4 8.540 3.524 -9.406 30 2HG1 ILE 4 2HG1 ILE 4 8.218 4.764 -8.194 31 1HG2 ILE 4 1HG2 ILE 4 6.734 2.496 -10.492 32 2HG2 ILE 4 2HG2 ILE 4 6.901 3.853 -11.606 33 3HG2 ILE 4 3HG2 ILE 4 5.314 3.430 -10.965 34 1HD1 ILE 4 1HD1 ILE 4 7.450 1.886 -8.209 35 2HD1 ILE 4 2HD1 ILE 4 6.294 3.020 -7.510 36 3HD1 ILE 4 3HD1 ILE 4 7.930 2.915 -6.860 37 H VAL 5 H VAL 5 4.675 6.857 -9.268 38 HA VAL 5 HA VAL 5 5.907 8.232 -6.932 39 HB VAL 5 HB VAL 5 6.002 9.768 -8.867 40 1HG1 VAL 5 1HG1 VAL 5 4.037 8.671 -10.036 41 2HG1 VAL 5 2HG1 VAL 5 4.012 10.434 -10.046 42 3HG1 VAL 5 3HG1 VAL 5 2.982 9.543 -8.925 43 1HG2 VAL 5 1HG2 VAL 5 3.737 10.640 -7.060 44 2HG2 VAL 5 2HG2 VAL 5 4.985 11.644 -7.799 45 3HG2 VAL 5 3HG2 VAL 5 5.403 10.538 -6.490 46 H HIS 6 H HIS 6 4.584 7.928 -5.195 47 HA HIS 6 HA HIS 6 1.763 7.073 -5.680 48 1HB HIS 6 1HB HIS 6 3.926 6.508 -3.747 49 2HB HIS 6 2HB HIS 6 2.325 6.647 -3.026 50 HD1 HIS 6 HD1 HIS 6 2.840 3.950 -2.668 51 HD2 HIS 6 HD2 HIS 6 1.985 5.229 -6.543 52 HE1 HIS 6 HE1 HIS 6 2.188 1.884 -3.976 53 H LEU 7 H LEU 7 0.270 8.689 -5.420 54 HA LEU 7 HA LEU 7 0.901 10.915 -3.515 55 1HB LEU 7 1HB LEU 7 -0.674 12.195 -4.934 56 2HB LEU 7 2HB LEU 7 0.622 11.492 -5.904 57 HG LEU 7 HG LEU 7 -1.361 9.508 -5.800 58 1HD1 LEU 7 1HD1 LEU 7 -2.551 12.063 -5.352 59 2HD1 LEU 7 2HD1 LEU 7 -3.360 10.520 -5.625 60 3HD1 LEU 7 3HD1 LEU 7 -2.959 11.559 -6.992 61 1HD2 LEU 7 1HD2 LEU 7 -1.459 9.861 -8.179 62 2HD2 LEU 7 2HD2 LEU 7 0.193 10.221 -7.678 63 3HD2 LEU 7 3HD2 LEU 7 -0.934 11.537 -8.009 64 H LYS 8 H LYS 8 -0.761 11.565 -2.040 65 HA LYS 8 HA LYS 8 -3.158 9.776 -1.871 66 1HB LYS 8 1HB LYS 8 -1.583 8.821 -0.367 67 2HB LYS 8 2HB LYS 8 -1.026 10.402 0.178 68 1HG LYS 8 1HG LYS 8 -2.406 9.596 1.937 69 2HG LYS 8 2HG LYS 8 -3.409 10.758 1.070 70 1HD LYS 8 1HD LYS 8 -4.463 8.919 -0.189 71 2HD LYS 8 2HD LYS 8 -3.452 7.752 0.663 72 1HE LYS 8 1HE LYS 8 -4.874 9.563 2.489 73 2HE LYS 8 2HE LYS 8 -5.960 8.562 1.504 74 1HZ LYS 8 1HZ LYS 8 -3.858 7.727 3.382 75 2HZ LYS 8 2HZ LYS 8 -4.209 6.734 2.049 76 3HZ LYS 8 3HZ LYS 8 -5.423 7.104 3.179 77 H GLY 9 H GLY 9 -4.891 10.720 -0.570 78 1HA GLY 9 1HA GLY 9 -4.920 13.229 0.678 79 2HA GLY 9 2HA GLY 9 -5.238 13.553 -1.026 80 H ASP 10 H ASP 10 -7.337 14.295 0.216 81 HA ASP 10 HA ASP 10 -9.196 12.331 1.180 82 1HB ASP 10 1HB ASP 10 -9.707 15.017 -0.141 83 2HB ASP 10 2HB ASP 10 -10.782 14.179 0.977 84 H ALA 11 H ALA 11 -10.757 11.130 0.075 85 HA ALA 11 HA ALA 11 -10.382 10.261 -2.557 86 1HB ALA 11 1HB ALA 11 -11.863 8.941 -1.408 87 2HB ALA 11 2HB ALA 11 -12.568 10.311 -0.549 88 3HB ALA 11 3HB ALA 11 -13.060 9.961 -2.206 89 H ASN 12 H ASN 12 -13.147 12.369 -1.685 90 HA ASN 12 HA ASN 12 -13.876 13.193 -4.243 91 1HB ASN 12 1HB ASN 12 -13.873 14.542 -1.541 92 2HB ASN 12 2HB ASN 12 -14.578 15.335 -2.951 93 1HD2 ASN 12 1HD2 ASN 12 -16.022 13.547 -4.285 94 2HD2 ASN 12 2HD2 ASN 12 -17.126 12.712 -3.303 95 H THR 13 H THR 13 -11.415 14.712 -2.138 96 HA THR 13 HA THR 13 -10.708 16.880 -3.823 97 HB THR 13 HB THR 13 -9.113 15.184 -1.880 98 HG1 THR 13 HG1 THR 13 -10.090 17.785 -1.475 99 1HG2 THR 13 1HG2 THR 13 -7.375 16.271 -2.920 100 2HG2 THR 13 2HG2 THR 13 -7.866 17.553 -1.812 101 3HG2 THR 13 3HG2 THR 13 -8.402 17.587 -3.492 102 H LEU 14 H LEU 14 -9.989 13.470 -4.124 103 HA LEU 14 HA LEU 14 -7.700 13.808 -5.906 104 1HB LEU 14 1HB LEU 14 -9.509 11.535 -5.073 105 2HB LEU 14 2HB LEU 14 -8.209 11.308 -6.243 106 HG LEU 14 HG LEU 14 -7.771 12.512 -3.500 107 1HD1 LEU 14 1HD1 LEU 14 -6.998 9.710 -4.278 108 2HD1 LEU 14 2HD1 LEU 14 -8.613 10.040 -3.651 109 3HD1 LEU 14 3HD1 LEU 14 -7.195 10.399 -2.665 110 1HD2 LEU 14 1HD2 LEU 14 -6.185 12.759 -5.624 111 2HD2 LEU 14 2HD2 LEU 14 -5.695 11.130 -5.159 112 3HD2 LEU 14 3HD2 LEU 14 -5.511 12.465 -4.021 113 H LYS 15 H LYS 15 -11.192 13.460 -6.294 114 HA LYS 15 HA LYS 15 -11.297 12.719 -9.040 115 1HB LYS 15 1HB LYS 15 -13.241 12.685 -7.605 116 2HB LYS 15 2HB LYS 15 -13.086 14.411 -7.271 117 1HG LYS 15 1HG LYS 15 -13.455 14.871 -9.701 118 2HG LYS 15 2HG LYS 15 -13.742 13.148 -9.947 119 1HD LYS 15 1HD LYS 15 -15.307 14.753 -7.921 120 2HD LYS 15 2HD LYS 15 -15.819 14.618 -9.604 121 1HE LYS 15 1HE LYS 15 -15.901 12.167 -9.413 122 2HE LYS 15 2HE LYS 15 -15.336 12.270 -7.733 123 1HZ LYS 15 1HZ LYS 15 -17.305 14.017 -7.642 124 2HZ LYS 15 2HZ LYS 15 -17.558 12.364 -7.345 125 3HZ LYS 15 3HZ LYS 15 -17.922 13.021 -8.868 126 H CYS 16 H CYS 16 -10.846 15.879 -7.499 127 HA CYS 16 HA CYS 16 -11.180 17.467 -9.885 128 1HB CYS 16 1HB CYS 16 -11.137 17.970 -7.275 129 2HB CYS 16 2HB CYS 16 -9.431 18.282 -7.593 130 HG CYS 16 HG CYS 16 -10.766 19.815 -9.668 131 H LEU 17 H LEU 17 -8.260 16.250 -8.194 132 HA LEU 17 HA LEU 17 -6.316 17.426 -9.895 133 1HB LEU 17 1HB LEU 17 -6.496 15.002 -8.124 134 2HB LEU 17 2HB LEU 17 -5.034 15.277 -9.073 135 HG LEU 17 HG LEU 17 -5.311 17.744 -8.073 136 1HD1 LEU 17 1HD1 LEU 17 -5.983 17.371 -5.609 137 2HD1 LEU 17 2HD1 LEU 17 -6.768 15.898 -6.177 138 3HD1 LEU 17 3HD1 LEU 17 -7.286 17.468 -6.792 139 1HD2 LEU 17 1HD2 LEU 17 -4.211 15.919 -6.038 140 2HD2 LEU 17 2HD2 LEU 17 -3.413 17.202 -6.947 141 3HD2 LEU 17 3HD2 LEU 17 -3.620 15.608 -7.671 142 H ARG 18 H ARG 18 -7.690 14.115 -10.070 143 HA ARG 18 HA ARG 18 -6.424 13.099 -12.308 144 1HB ARG 18 1HB ARG 18 -8.225 12.107 -10.798 145 2HB ARG 18 2HB ARG 18 -9.408 12.938 -11.810 146 1HG ARG 18 1HG ARG 18 -8.611 11.740 -13.786 147 2HG ARG 18 2HG ARG 18 -7.350 10.958 -12.830 148 1HD ARG 18 1HD ARG 18 -10.041 10.631 -11.680 149 2HD ARG 18 2HD ARG 18 -9.852 9.882 -13.278 150 HE ARG 18 HE ARG 18 -7.538 9.349 -11.647 151 1HH1 ARG 18 1HH1 ARG 18 -10.529 8.813 -10.469 152 2HH1 ARG 18 2HH1 ARG 18 -10.503 7.084 -10.569 153 1HH2 ARG 18 1HH2 ARG 18 -7.626 6.974 -12.500 154 2HH2 ARG 18 2HH2 ARG 18 -8.859 6.043 -11.718 155 H TYR 19 H TYR 19 -8.749 15.727 -12.228 156 HA TYR 19 HA TYR 19 -9.565 15.691 -14.978 157 1HB TYR 19 1HB TYR 19 -10.720 16.960 -13.249 158 2HB TYR 19 2HB TYR 19 -9.268 17.908 -12.928 159 HD1 TYR 19 HD1 TYR 19 -11.239 16.894 -15.966 160 HD2 TYR 19 HD2 TYR 19 -9.305 20.057 -13.795 161 HE1 TYR 19 HE1 TYR 19 -11.889 18.507 -17.736 162 HE2 TYR 19 HE2 TYR 19 -9.956 21.671 -15.564 163 HH TYR 19 HH TYR 19 -10.650 21.074 -18.430 164 H ARG 20 H ARG 20 -6.837 17.274 -13.315 165 HA ARG 20 HA ARG 20 -5.873 18.664 -15.674 166 1HB ARG 20 1HB ARG 20 -4.674 17.896 -12.996 167 2HB ARG 20 2HB ARG 20 -3.849 18.928 -14.165 168 1HG ARG 20 1HG ARG 20 -5.867 20.442 -14.132 169 2HG ARG 20 2HG ARG 20 -6.498 19.473 -12.800 170 1HD ARG 20 1HD ARG 20 -5.337 20.917 -11.463 171 2HD ARG 20 2HD ARG 20 -3.902 20.011 -11.982 172 HE ARG 20 HE ARG 20 -3.962 21.680 -14.004 173 1HH1 ARG 20 1HH2 ARG 20 -2.575 22.596 -11.464 174 2HH1 ARG 20 2HH2 ARG 20 -3.270 24.167 -11.243 175 1HH2 ARG 20 1HH1 ARG 20 -5.899 23.603 -13.434 176 2HH2 ARG 20 2HH1 ARG 20 -5.154 24.738 -12.358 177 H PHE 21 H PHE 21 -5.540 15.426 -14.443 178 HA PHE 21 HA PHE 21 -3.044 14.706 -15.674 179 1HB PHE 21 1HB PHE 21 -5.519 13.267 -14.714 180 2HB PHE 21 2HB PHE 21 -4.195 12.375 -15.461 181 HD1 PHE 21 HD1 PHE 21 -2.933 15.289 -13.884 182 HD2 PHE 21 HD2 PHE 21 -4.306 11.304 -13.043 183 HE1 PHE 21 HE1 PHE 21 -1.698 15.316 -11.734 184 HE2 PHE 21 HE2 PHE 21 -3.070 11.334 -10.892 185 HZ PHE 21 HZ PHE 21 -1.766 13.339 -10.238 186 H LYS 22 H LYS 22 -6.369 14.870 -16.850 187 HA LYS 22 HA LYS 22 -6.062 13.352 -19.254 188 1HB LYS 22 1HB LYS 22 -7.830 15.716 -18.541 189 2HB LYS 22 2HB LYS 22 -8.099 14.637 -19.910 190 1HG LYS 22 1HG LYS 22 -7.934 13.689 -17.036 191 2HG LYS 22 2HG LYS 22 -9.449 14.049 -17.863 192 1HD LYS 22 1HD LYS 22 -8.457 12.425 -19.705 193 2HD LYS 22 2HD LYS 22 -7.513 11.814 -18.346 194 1HE LYS 22 1HE LYS 22 -9.312 10.597 -17.707 195 2HE LYS 22 2HE LYS 22 -10.194 12.111 -17.423 196 1HZ LYS 22 1HZ LYS 22 -11.309 10.770 -19.104 197 2HZ LYS 22 2HZ LYS 22 -9.895 10.741 -20.046 198 3HZ LYS 22 3HZ LYS 22 -10.716 12.206 -19.785 199 H LYS 23 H LYS 23 -5.362 16.742 -18.476 200 HA LYS 23 HA LYS 23 -4.870 17.553 -21.227 201 1HB LYS 23 1HB LYS 23 -4.056 18.728 -18.548 202 2HB LYS 23 2HB LYS 23 -4.000 19.581 -20.091 203 1HG LYS 23 1HG LYS 23 -6.550 18.321 -19.082 204 2HG LYS 23 2HG LYS 23 -6.083 19.958 -18.617 205 1HD LYS 23 1HD LYS 23 -5.682 19.944 -21.362 206 2HD LYS 23 2HD LYS 23 -7.150 18.986 -21.163 207 1HE LYS 23 1HE LYS 23 -7.059 21.432 -19.500 208 2HE LYS 23 2HE LYS 23 -7.142 21.719 -21.250 209 1HZ LYS 23 1HZ LYS 23 -8.954 20.104 -21.375 210 2HZ LYS 23 2HZ LYS 23 -9.358 21.401 -20.356 211 3HZ LYS 23 3HZ LYS 23 -8.907 19.903 -19.692 212 H HIS 24 H HIS 24 -2.854 16.373 -18.551 213 HA HIS 24 HA HIS 24 -0.392 16.716 -20.178 214 1HB HIS 24 1HB HIS 24 -0.939 15.749 -17.351 215 2HB HIS 24 2HB HIS 24 0.669 15.997 -18.031 216 HD1 HIS 24 HD1 HIS 24 0.506 18.624 -19.418 217 HD2 HIS 24 HD2 HIS 24 -1.428 17.966 -15.784 218 HE1 HIS 24 HE1 HIS 24 0.127 20.905 -18.383 219 H CYS 25 H CYS 25 -2.294 14.808 -21.184 220 HA CYS 25 HA CYS 25 -1.889 12.120 -20.390 221 1HB CYS 25 1HB CYS 25 -2.672 11.647 -22.698 222 2HB CYS 25 2HB CYS 25 -3.614 12.936 -21.949 223 HG CYS 25 HG CYS 25 -2.734 14.563 -23.613 224 H THR 26 H THR 26 0.240 14.296 -22.089 225 HA THR 26 HA THR 26 1.961 12.065 -23.042 226 HB THR 26 HB THR 26 3.105 13.875 -24.245 227 HG1 THR 26 HG1 THR 26 1.731 15.375 -22.375 228 1HG2 THR 26 1HG2 THR 26 1.420 13.501 -25.694 229 2HG2 THR 26 2HG2 THR 26 0.672 14.957 -25.039 230 3HG2 THR 26 3HG2 THR 26 0.234 13.376 -24.395 231 H LEU 27 H LEU 27 1.571 13.396 -20.136 232 HA LEU 27 HA LEU 27 4.400 14.052 -19.548 233 1HB LEU 27 1HB LEU 27 1.755 14.583 -18.484 234 2HB LEU 27 2HB LEU 27 2.828 14.008 -17.209 235 HG LEU 27 HG LEU 27 3.291 16.354 -19.069 236 1HD1 LEU 27 1HD1 LEU 27 2.742 17.668 -17.298 237 2HD1 LEU 27 2HD1 LEU 27 3.594 16.632 -16.152 238 3HD1 LEU 27 3HD1 LEU 27 1.957 16.221 -16.665 239 1HD2 LEU 27 1HD2 LEU 27 5.464 15.608 -18.899 240 2HD2 LEU 27 2HD2 LEU 27 5.152 14.720 -17.409 241 3HD2 LEU 27 3HD2 LEU 27 5.365 16.469 -17.363 242 H TYR 28 H TYR 28 1.917 11.717 -18.418 243 HA TYR 28 HA TYR 28 4.070 10.082 -17.168 244 1HB TYR 28 1HB TYR 28 2.027 8.890 -16.229 245 2HB TYR 28 2HB TYR 28 2.167 10.589 -15.776 246 HD1 TYR 28 HD1 TYR 28 0.285 11.938 -16.027 247 HD2 TYR 28 HD2 TYR 28 0.739 8.486 -18.543 248 HE1 TYR 28 HE1 TYR 28 -1.930 12.391 -17.046 249 HE2 TYR 28 HE2 TYR 28 -1.477 8.938 -19.563 250 HH TYR 28 HH TYR 28 -3.220 10.308 -19.639 251 H THR 29 H THR 29 3.808 7.647 -17.489 252 HA THR 29 HA THR 29 3.400 7.100 -20.387 253 HB THR 29 HB THR 29 4.626 5.388 -18.207 254 HG1 THR 29 HG1 THR 29 6.569 6.311 -18.833 255 1HG2 THR 29 1HG2 THR 29 4.260 4.029 -20.089 256 2HG2 THR 29 2HG2 THR 29 5.917 4.589 -20.316 257 3HG2 THR 29 3HG2 THR 29 4.601 5.341 -21.216 258 H ALA 30 H ALA 30 2.197 6.136 -17.199 259 HA ALA 30 HA ALA 30 -0.162 4.905 -18.465 260 1HB ALA 30 1HB ALA 30 1.890 3.281 -18.353 261 2HB ALA 30 2HB ALA 30 1.504 3.189 -16.635 262 3HB ALA 30 3HB ALA 30 0.311 2.690 -17.834 263 H VAL 31 H VAL 31 -1.767 5.767 -17.209 264 HA VAL 31 HA VAL 31 -1.269 6.388 -14.356 265 HB VAL 31 HB VAL 31 -2.397 7.947 -15.971 266 1HG1 VAL 31 1HG1 VAL 31 -4.672 7.442 -16.702 267 2HG1 VAL 31 2HG1 VAL 31 -4.636 5.903 -15.841 268 3HG1 VAL 31 3HG1 VAL 31 -3.590 6.157 -17.239 269 1HG2 VAL 31 1HG2 VAL 31 -4.513 8.225 -14.443 270 2HG2 VAL 31 2HG2 VAL 31 -2.912 8.458 -13.742 271 3HG2 VAL 31 3HG2 VAL 31 -3.771 6.938 -13.491 272 H SER 32 H SER 32 -2.098 5.145 -12.685 273 HA SER 32 HA SER 32 -3.729 2.757 -13.460 274 1HB SER 32 1HB SER 32 -1.414 3.232 -11.842 275 2HB SER 32 2HB SER 32 -2.699 2.624 -10.803 276 HG SER 32 HG SER 32 -1.905 0.803 -11.614 277 H SER 33 H SER 33 -5.531 2.178 -12.102 278 HA SER 33 HA SER 33 -7.212 4.314 -11.244 279 1HB SER 33 1HB SER 33 -7.732 1.888 -11.923 280 2HB SER 33 2HB SER 33 -7.294 1.449 -10.274 281 HG SER 33 HG SER 33 -9.483 1.839 -10.319 282 H THR 34 H THR 34 -7.972 4.682 -8.982 283 HA THR 34 HA THR 34 -5.795 5.128 -7.149 284 HB THR 34 HB THR 34 -7.742 6.549 -7.170 285 HG1 THR 34 HG1 THR 34 -7.795 6.673 -5.077 286 1HG2 THR 34 1HG2 THR 34 -9.163 3.928 -7.026 287 2HG2 THR 34 2HG2 THR 34 -9.545 5.360 -7.980 288 3HG2 THR 34 3HG2 THR 34 -9.929 5.319 -6.260 289 H TRP 35 H TRP 35 -4.964 3.768 -5.614 290 HA TRP 35 HA TRP 35 -6.618 1.529 -4.569 291 1HB TRP 35 1HB TRP 35 -5.035 -0.122 -5.249 292 2HB TRP 35 2HB TRP 35 -5.252 0.907 -6.663 293 HD1 TRP 35 HD1 TRP 35 -3.396 3.147 -6.553 294 HE1 TRP 35 HE1 TRP 35 -0.847 2.943 -6.217 295 HE3 TRP 35 HE3 TRP 35 -3.155 -1.484 -4.409 296 HZ2 TRP 35 HZ2 TRP 35 1.042 1.063 -5.178 297 HZ3 TRP 35 HZ3 TRP 35 -0.971 -2.456 -3.756 298 HH2 TRP 35 HH2 TRP 35 1.127 -1.188 -4.137 299 H HIS 36 H HIS 36 -5.683 0.674 -2.523 300 HA HIS 36 HA HIS 36 -3.310 2.006 -1.412 301 1HB HIS 36 1HB HIS 36 -4.698 3.053 0.430 302 2HB HIS 36 2HB HIS 36 -4.938 3.767 -1.165 303 HD1 HIS 36 HD1 HIS 36 -6.482 0.770 0.652 304 HD2 HIS 36 HD2 HIS 36 -7.636 4.100 -1.575 305 HE1 HIS 36 HE1 HIS 36 -9.009 0.681 0.485 306 H TRP 37 H TRP 37 -3.488 1.558 1.171 307 HA TRP 37 HA TRP 37 -3.523 -1.360 1.434 308 1HB TRP 37 1HB TRP 37 -3.098 0.862 3.460 309 2HB TRP 37 2HB TRP 37 -2.632 -0.828 3.659 310 HD1 TRP 37 HD1 TRP 37 -1.129 2.314 2.803 311 HE1 TRP 37 HE1 TRP 37 1.004 2.016 1.383 312 HE3 TRP 37 HE3 TRP 37 -1.703 -2.552 1.362 313 HZ2 TRP 37 HZ2 TRP 37 2.295 -0.020 -0.161 314 HZ3 TRP 37 HZ3 TRP 37 -0.010 -3.646 -0.081 315 HH2 TRP 37 HH2 TRP 37 1.987 -2.386 -0.843 316 H THR 38 H THR 38 -5.105 -2.573 2.488 317 HA THR 38 HA THR 38 -7.437 -1.052 3.609 318 HB THR 38 HB THR 38 -8.130 -3.705 2.788 319 HG1 THR 38 HG1 THR 38 -7.314 -3.841 0.818 320 1HG2 THR 38 1HG2 THR 38 -9.198 -1.176 2.725 321 2HG2 THR 38 2HG2 THR 38 -9.895 -2.581 1.918 322 3HG2 THR 38 3HG2 THR 38 -8.861 -1.471 1.018 323 H GLY 39 H GLY 39 -5.024 -2.085 5.049 324 1HA GLY 39 1HA GLY 39 -5.986 -4.434 6.529 325 2HA GLY 39 2HA GLY 39 -4.483 -3.563 6.835 326 H HIS 40 H HIS 40 -4.556 -2.783 8.894 327 HA HIS 40 HA HIS 40 -7.143 -1.615 9.862 328 1HB HIS 40 1HB HIS 40 -6.434 -2.299 12.046 329 2HB HIS 40 2HB HIS 40 -6.061 -3.652 10.980 330 HD1 HIS 40 HD1 HIS 40 -3.659 -4.390 10.871 331 HD2 HIS 40 HD2 HIS 40 -4.061 -0.629 12.625 332 HE1 HIS 40 HE1 HIS 40 -1.365 -3.756 11.739 333 H ASN 41 H ASN 41 -4.158 -0.739 8.662 334 HA ASN 41 HA ASN 41 -3.617 1.504 10.489 335 1HB ASN 41 1HB ASN 41 -2.115 -0.087 8.876 336 2HB ASN 41 2HB ASN 41 -2.336 1.307 7.817 337 1HD2 ASN 41 1HD2 ASN 41 -2.011 3.521 9.137 338 2HD2 ASN 41 2HD2 ASN 41 -0.646 3.551 10.144 339 H VAL 42 H VAL 42 -6.218 1.718 9.420 340 HA VAL 42 HA VAL 42 -5.951 4.242 7.876 341 HB VAL 42 HB VAL 42 -7.616 3.374 6.222 342 1HG1 VAL 42 1HG1 VAL 42 -5.366 1.394 6.259 343 2HG1 VAL 42 2HG1 VAL 42 -4.985 3.110 6.116 344 3HG1 VAL 42 3HG1 VAL 42 -6.007 2.331 4.909 345 1HG2 VAL 42 1HG2 VAL 42 -7.538 0.673 6.356 346 2HG2 VAL 42 2HG2 VAL 42 -8.816 1.630 7.105 347 3HG2 VAL 42 3HG2 VAL 42 -7.460 1.055 8.076 348 H LYS 43 H LYS 43 -7.197 5.668 9.019 349 HA LYS 43 HA LYS 43 -8.970 5.150 11.099 350 1HB LYS 43 1HB LYS 43 -8.184 7.365 10.578 351 2HB LYS 43 2HB LYS 43 -8.919 7.312 8.976 352 1HG LYS 43 1HG LYS 43 -11.101 6.838 10.535 353 2HG LYS 43 2HG LYS 43 -10.160 7.877 11.604 354 1HD LYS 43 1HD LYS 43 -9.851 9.323 9.414 355 2HD LYS 43 2HD LYS 43 -11.322 8.488 8.909 356 1HE LYS 43 1HE LYS 43 -11.821 9.267 11.566 357 2HE LYS 43 2HE LYS 43 -11.041 10.668 10.805 358 1HZ LYS 43 1HZ LYS 43 -13.331 10.795 10.264 359 2HZ LYS 43 2HZ LYS 43 -13.397 9.156 9.821 360 3HZ LYS 43 3HZ LYS 43 -12.539 10.265 8.861 361 H HIS 44 H HIS 44 -9.853 5.577 7.651 362 HA HIS 44 HA HIS 44 -12.267 3.884 8.142 363 1HB HIS 44 1HB HIS 44 -12.765 6.338 8.342 364 2HB HIS 44 2HB HIS 44 -12.216 6.545 6.680 365 HD1 HIS 44 HD1 HIS 44 -14.845 7.356 6.446 366 HD2 HIS 44 HD2 HIS 44 -14.163 3.278 6.974 367 HE1 HIS 44 HE1 HIS 44 -16.960 6.176 5.708 368 H LYS 45 H LYS 45 -11.119 5.824 5.371 369 HA LYS 45 HA LYS 45 -10.687 3.276 3.852 370 1HB LYS 45 1HB LYS 45 -12.193 5.797 3.098 371 2HB LYS 45 2HB LYS 45 -11.723 4.575 1.916 372 1HG LYS 45 1HG LYS 45 -13.315 3.905 4.399 373 2HG LYS 45 2HG LYS 45 -14.078 4.337 2.868 374 1HD LYS 45 1HD LYS 45 -13.476 2.370 1.856 375 2HD LYS 45 2HD LYS 45 -11.953 2.262 2.737 376 1HE LYS 45 1HE LYS 45 -14.392 2.008 4.409 377 2HE LYS 45 2HE LYS 45 -14.084 0.667 3.288 378 1HZ LYS 45 1HZ LYS 45 -12.719 0.066 5.001 379 2HZ LYS 45 2HZ LYS 45 -12.421 1.666 5.487 380 3HZ LYS 45 3HZ LYS 45 -11.641 1.032 4.118 381 H SER 46 H SER 46 -9.954 4.717 1.437 382 HA SER 46 HA SER 46 -7.882 6.666 2.014 383 1HB SER 46 1HB SER 46 -6.857 4.681 3.007 384 2HB SER 46 2HB SER 46 -7.135 3.765 1.529 385 HG SER 46 HG SER 46 -4.980 4.716 1.817 386 H ALA 47 H ALA 47 -6.300 6.674 -0.046 387 HA ALA 47 HA ALA 47 -7.334 5.649 -2.544 388 1HB ALA 47 1HB ALA 47 -7.999 8.048 -3.310 389 2HB ALA 47 2HB ALA 47 -9.128 7.166 -2.281 390 3HB ALA 47 3HB ALA 47 -8.089 8.409 -1.586 391 H ILE 48 H ILE 48 -5.438 5.458 -3.650 392 HA ILE 48 HA ILE 48 -3.596 7.795 -3.772 393 HB ILE 48 HB ILE 48 -2.954 4.985 -2.838 394 1HG1 ILE 48 1HG1 ILE 48 -2.423 7.703 -1.595 395 2HG1 ILE 48 2HG1 ILE 48 -3.794 6.674 -1.179 396 1HG2 ILE 48 1HG2 ILE 48 -0.905 5.209 -3.741 397 2HG2 ILE 48 2HG2 ILE 48 -0.654 6.639 -2.741 398 3HG2 ILE 48 3HG2 ILE 48 -1.322 6.805 -4.364 399 1HD1 ILE 48 1HD1 ILE 48 -2.290 4.904 -0.429 400 2HD1 ILE 48 2HD1 ILE 48 -1.883 6.405 0.402 401 3HD1 ILE 48 3HD1 ILE 48 -0.888 5.843 -0.941 402 H VAL 49 H VAL 49 -2.812 8.034 -5.860 403 HA VAL 49 HA VAL 49 -3.164 5.709 -7.729 404 HB VAL 49 HB VAL 49 -3.582 8.687 -7.999 405 1HG1 VAL 49 1HG1 VAL 49 -2.457 8.396 -10.003 406 2HG1 VAL 49 2HG1 VAL 49 -4.074 7.891 -10.494 407 3HG1 VAL 49 3HG1 VAL 49 -2.855 6.680 -10.096 408 1HG2 VAL 49 1HG2 VAL 49 -5.766 7.959 -8.855 409 2HG2 VAL 49 2HG2 VAL 49 -5.465 7.231 -7.276 410 3HG2 VAL 49 3HG2 VAL 49 -5.264 6.272 -8.744 411 H THR 50 H THR 50 -1.312 5.026 -8.719 412 HA THR 50 HA THR 50 1.189 6.568 -8.302 413 HB THR 50 HB THR 50 0.873 3.885 -9.647 414 HG1 THR 50 HG1 THR 50 0.101 3.131 -7.872 415 1HG2 THR 50 1HG2 THR 50 3.014 3.794 -7.934 416 2HG2 THR 50 2HG2 THR 50 3.025 5.485 -8.434 417 3HG2 THR 50 3HG2 THR 50 3.118 4.208 -9.645 418 H LEU 51 H LEU 51 2.613 7.022 -10.136 419 HA LEU 51 HA LEU 51 1.286 6.945 -12.818 420 1HB LEU 51 1HB LEU 51 2.606 9.252 -11.362 421 2HB LEU 51 2HB LEU 51 2.280 9.284 -13.095 422 HG LEU 51 HG LEU 51 -0.079 8.402 -11.706 423 1HD1 LEU 51 1HD1 LEU 51 1.475 10.309 -10.240 424 2HD1 LEU 51 2HD1 LEU 51 -0.136 9.694 -9.865 425 3HD1 LEU 51 3HD1 LEU 51 0.049 11.129 -10.874 426 1HD2 LEU 51 1HD2 LEU 51 0.012 9.446 -13.948 427 2HD2 LEU 51 2HD2 LEU 51 0.571 10.953 -13.221 428 3HD2 LEU 51 3HD2 LEU 51 -1.050 10.351 -12.870 429 H THR 52 H THR 52 2.675 6.114 -14.344 430 HA THR 52 HA THR 52 5.515 5.675 -13.568 431 HB THR 52 HB THR 52 4.975 4.480 -16.041 432 HG1 THR 52 HG1 THR 52 2.895 3.442 -14.850 433 1HG2 THR 52 1HG2 THR 52 4.348 2.932 -13.591 434 2HG2 THR 52 2HG2 THR 52 5.921 3.728 -13.617 435 3HG2 THR 52 3HG2 THR 52 5.493 2.579 -14.885 436 H TYR 53 H TYR 53 7.145 6.850 -14.491 437 HA TYR 53 HA TYR 53 6.482 8.527 -16.889 438 1HB TYR 53 1HB TYR 53 8.367 8.987 -14.551 439 2HB TYR 53 2HB TYR 53 8.191 10.081 -15.923 440 HD1 TYR 53 HD1 TYR 53 6.255 8.423 -13.188 441 HD2 TYR 53 HD2 TYR 53 6.478 11.703 -15.956 442 HE1 TYR 53 HE1 TYR 53 4.295 9.476 -12.097 443 HE2 TYR 53 HE2 TYR 53 4.515 12.756 -14.864 444 HH TYR 53 HH TYR 53 3.454 12.637 -12.486 445 H ASP 54 H ASP 54 8.237 8.781 -18.439 446 HA ASP 54 HA ASP 54 9.764 6.372 -18.901 447 1HB ASP 54 1HB ASP 54 9.683 9.153 -20.095 448 2HB ASP 54 2HB ASP 54 10.730 7.885 -20.736 449 H SER 55 H SER 55 10.331 9.076 -16.902 450 HA SER 55 HA SER 55 12.987 8.141 -16.178 451 1HB SER 55 1HB SER 55 14.266 9.910 -17.158 452 2HB SER 55 2HB SER 55 13.207 9.329 -18.439 453 HG SER 55 HG SER 55 12.274 11.208 -18.457 454 H GLU 56 H GLU 56 13.969 9.634 -14.511 455 HA GLU 56 HA GLU 56 11.980 10.532 -12.613 456 1HB GLU 56 1HB GLU 56 14.988 10.710 -12.879 457 2HB GLU 56 2HB GLU 56 14.140 11.387 -11.489 458 1HG GLU 56 1HG GLU 56 13.534 9.317 -10.672 459 2HG GLU 56 2HG GLU 56 13.476 8.586 -12.277 460 H TRP 57 H TRP 57 14.070 12.170 -14.964 461 HA TRP 57 HA TRP 57 13.812 14.851 -14.144 462 1HB TRP 57 1HB TRP 57 15.246 13.989 -15.962 463 2HB TRP 57 2HB TRP 57 13.814 13.641 -16.930 464 HD1 TRP 57 HD1 TRP 57 13.604 15.397 -18.741 465 HE1 TRP 57 HE1 TRP 57 13.855 17.958 -18.877 466 HE3 TRP 57 HE3 TRP 57 15.121 16.387 -13.967 467 HZ2 TRP 57 HZ2 TRP 57 14.603 20.141 -17.184 468 HZ3 TRP 57 HZ3 TRP 57 15.597 18.714 -13.255 469 HH2 TRP 57 HH2 TRP 57 15.339 20.590 -14.857 470 H GLN 58 H GLN 58 11.682 13.049 -16.397 471 HA GLN 58 HA GLN 58 9.782 15.093 -16.864 472 1HB GLN 58 1HB GLN 58 10.116 12.805 -17.962 473 2HB GLN 58 2HB GLN 58 9.195 12.135 -16.614 474 1HG GLN 58 1HG GLN 58 7.225 13.204 -17.251 475 2HG GLN 58 2HG GLN 58 8.079 14.467 -18.139 476 1HE2 GLN 58 1HE2 GLN 58 7.109 11.032 -18.298 477 2HE2 GLN 58 2HE2 GLN 58 7.288 10.893 -19.980 478 H ARG 59 H ARG 59 9.939 12.709 -14.212 479 HA ARG 59 HA ARG 59 7.388 13.192 -13.051 480 1HB ARG 59 1HB ARG 59 8.739 11.333 -12.371 481 2HB ARG 59 2HB ARG 59 10.091 12.385 -11.950 482 1HG ARG 59 1HG ARG 59 7.876 13.318 -10.455 483 2HG ARG 59 2HG ARG 59 7.870 11.560 -10.303 484 1HD ARG 59 1HD ARG 59 10.072 11.518 -9.401 485 2HD ARG 59 2HD ARG 59 10.398 13.184 -9.918 486 HE ARG 59 HE ARG 59 8.159 13.409 -8.289 487 1HH1 ARG 59 1HH2 ARG 59 11.513 13.209 -8.066 488 2HH1 ARG 59 2HH2 ARG 59 11.558 13.014 -6.345 489 1HH2 ARG 59 1HH1 ARG 59 8.123 12.673 -6.024 490 2HH2 ARG 59 2HH1 ARG 59 9.639 12.712 -5.190 491 H ASP 60 H ASP 60 10.517 14.814 -12.431 492 HA ASP 60 HA ASP 60 9.636 16.541 -10.346 493 1HB ASP 60 1HB ASP 60 11.983 16.027 -11.113 494 2HB ASP 60 2HB ASP 60 11.700 17.079 -12.502 495 H GLN 61 H GLN 61 9.562 16.939 -13.883 496 HA GLN 61 HA GLN 61 8.711 19.680 -13.909 497 1HB GLN 61 1HB GLN 61 8.306 17.389 -15.858 498 2HB GLN 61 2HB GLN 61 8.103 19.097 -16.252 499 1HG GLN 61 1HG GLN 61 10.522 19.372 -15.352 500 2HG GLN 61 2HG GLN 61 10.633 17.622 -15.540 501 1HE2 GLN 61 1HE2 GLN 61 10.426 16.737 -17.746 502 2HE2 GLN 61 2HE2 GLN 61 10.658 17.732 -19.101 503 H PHE 62 H PHE 62 6.872 16.619 -13.948 504 HA PHE 62 HA PHE 62 4.275 17.641 -14.363 505 1HB PHE 62 1HB PHE 62 4.610 15.301 -14.421 506 2HB PHE 62 2HB PHE 62 5.448 15.295 -12.870 507 HD1 PHE 62 HD1 PHE 62 2.253 15.026 -14.542 508 HD2 PHE 62 HD2 PHE 62 4.128 15.829 -10.760 509 HE1 PHE 62 HE1 PHE 62 0.108 14.569 -13.382 510 HE2 PHE 62 HE2 PHE 62 1.984 15.371 -9.601 511 HZ PHE 62 HZ PHE 62 -0.025 14.740 -10.911 512 H LEU 63 H LEU 63 6.009 17.134 -11.269 513 HA LEU 63 HA LEU 63 3.953 18.046 -9.528 514 1HB LEU 63 1HB LEU 63 6.973 18.281 -9.305 515 2HB LEU 63 2HB LEU 63 5.837 18.346 -7.957 516 HG LEU 63 HG LEU 63 5.795 15.986 -9.816 517 1HD1 LEU 63 1HD1 LEU 63 7.330 15.042 -7.814 518 2HD1 LEU 63 2HD1 LEU 63 7.903 16.709 -7.840 519 3HD1 LEU 63 3HD1 LEU 63 8.018 15.716 -9.292 520 1HD2 LEU 63 1HD2 LEU 63 5.493 15.411 -7.024 521 2HD2 LEU 63 2HD2 LEU 63 4.280 15.293 -8.300 522 3HD2 LEU 63 3HD2 LEU 63 4.485 16.806 -7.415 523 H SER 64 H SER 64 6.608 19.866 -11.086 524 HA SER 64 HA SER 64 5.978 22.409 -9.915 525 1HB SER 64 1HB SER 64 7.849 22.959 -11.073 526 2HB SER 64 2HB SER 64 7.909 21.267 -11.557 527 HG SER 64 HG SER 64 7.924 22.680 -13.356 528 H GLN 65 H GLN 65 4.530 20.632 -12.543 529 HA GLN 65 HA GLN 65 3.168 23.048 -13.606 530 1HB GLN 65 1HB GLN 65 3.136 20.122 -14.420 531 2HB GLN 65 2HB GLN 65 2.427 21.446 -15.345 532 1HG GLN 65 1HG GLN 65 5.243 21.872 -14.576 533 2HG GLN 65 2HG GLN 65 4.983 20.524 -15.686 534 1HE2 GLN 65 1HE2 GLN 65 5.404 21.318 -17.761 535 2HE2 GLN 65 2HE2 GLN 65 4.792 22.775 -18.380 536 H VAL 66 H VAL 66 2.544 20.237 -11.610 537 HA VAL 66 HA VAL 66 -0.389 20.807 -11.634 538 HB VAL 66 HB VAL 66 -0.508 18.563 -10.591 539 1HG1 VAL 66 1HG1 VAL 66 0.050 19.121 -13.186 540 2HG1 VAL 66 2HG1 VAL 66 -0.210 17.482 -12.587 541 3HG1 VAL 66 3HG1 VAL 66 1.431 18.096 -12.792 542 1HG2 VAL 66 1HG2 VAL 66 1.284 17.866 -9.411 543 2HG2 VAL 66 2HG2 VAL 66 2.286 19.149 -10.089 544 3HG2 VAL 66 3HG2 VAL 66 2.125 17.613 -10.941 545 H LYS 67 H LYS 67 -0.741 22.445 -10.129 546 HA LYS 67 HA LYS 67 0.731 23.085 -7.834 547 1HB LYS 67 1HB LYS 67 -1.252 24.243 -8.992 548 2HB LYS 67 2HB LYS 67 -2.286 23.190 -8.026 549 1HG LYS 67 1HG LYS 67 -1.315 24.060 -5.963 550 2HG LYS 67 2HG LYS 67 -0.176 25.044 -6.883 551 1HD LYS 67 1HD LYS 67 -1.998 26.350 -7.835 552 2HD LYS 67 2HD LYS 67 -3.192 25.310 -7.056 553 1HE LYS 67 1HE LYS 67 -1.748 26.025 -4.878 554 2HE LYS 67 2HE LYS 67 -1.526 27.474 -5.878 555 1HZ LYS 67 1HZ LYS 67 -3.634 27.339 -4.462 556 2HZ LYS 67 2HZ LYS 67 -4.175 26.195 -5.596 557 3HZ LYS 67 3HZ LYS 67 -3.809 27.779 -6.090 558 H ILE 68 H ILE 68 1.393 21.267 -6.589 559 HA ILE 68 HA ILE 68 -0.630 19.353 -5.617 560 HB ILE 68 HB ILE 68 1.803 18.937 -6.414 561 1HG1 ILE 68 1HG1 ILE 68 2.083 17.116 -4.762 562 2HG1 ILE 68 2HG1 ILE 68 0.829 17.845 -3.759 563 1HG2 ILE 68 1HG2 ILE 68 2.594 20.811 -4.782 564 2HG2 ILE 68 2HG2 ILE 68 3.568 19.347 -4.921 565 3HG2 ILE 68 3HG2 ILE 68 2.482 19.558 -3.547 566 1HD1 ILE 68 1HD1 ILE 68 0.147 15.942 -5.404 567 2HD1 ILE 68 2HD1 ILE 68 0.286 17.187 -6.647 568 3HD1 ILE 68 3HD1 ILE 68 -0.864 17.386 -5.325 569 HA PRO 69 HA PRO 69 -1.374 22.076 -2.153 570 1HB PRO 69 1HB PRO 69 -2.970 20.351 -0.751 571 2HB PRO 69 2HB PRO 69 -3.554 21.314 -2.124 572 1HG PRO 69 1HG PRO 69 -2.749 18.452 -2.024 573 2HG PRO 69 2HG PRO 69 -4.076 19.224 -2.908 574 1HD PRO 69 1HD PRO 69 -1.731 18.483 -4.074 575 2HD PRO 69 2HD PRO 69 -2.735 19.825 -4.661 576 H LYS 70 H LYS 70 -1.028 21.846 0.269 577 HA LYS 70 HA LYS 70 1.451 20.384 0.795 578 1HB LYS 70 1HB LYS 70 -0.315 22.402 2.077 579 2HB LYS 70 2HB LYS 70 0.656 21.422 3.175 580 1HG LYS 70 1HG LYS 70 2.442 22.085 1.152 581 2HG LYS 70 2HG LYS 70 1.496 23.558 1.368 582 1HD LYS 70 1HD LYS 70 1.915 23.424 3.822 583 2HD LYS 70 2HD LYS 70 2.948 22.022 3.542 584 1HE LYS 70 1HE LYS 70 4.255 23.540 1.901 585 2HE LYS 70 2HE LYS 70 3.410 24.885 2.691 586 1HZ LYS 70 1HZ LYS 70 4.090 23.763 4.849 587 2HZ LYS 70 2HZ LYS 70 5.316 24.559 3.983 588 3HZ LYS 70 3HZ LYS 70 5.190 22.866 3.919 589 H THR 71 H THR 71 -1.893 19.667 1.059 590 HA THR 71 HA THR 71 -1.640 17.820 3.336 591 HB THR 71 HB THR 71 -3.814 18.531 1.347 592 HG1 THR 71 HG1 THR 71 -3.418 19.027 4.111 593 1HG2 THR 71 1HG2 THR 71 -4.388 16.326 1.916 594 2HG2 THR 71 2HG2 THR 71 -5.256 17.280 3.118 595 3HG2 THR 71 3HG2 THR 71 -3.745 16.482 3.552 596 H ILE 72 H ILE 72 -1.425 17.688 -0.154 597 HA ILE 72 HA ILE 72 -1.666 14.731 -0.195 598 HB ILE 72 HB ILE 72 -1.310 16.904 -2.281 599 1HG1 ILE 72 1HG1 ILE 72 -3.617 15.038 -1.638 600 2HG1 ILE 72 2HG1 ILE 72 -3.530 16.738 -1.178 601 1HG2 ILE 72 1HG2 ILE 72 -1.150 13.930 -2.466 602 2HG2 ILE 72 2HG2 ILE 72 -0.335 15.160 -3.432 603 3HG2 ILE 72 3HG2 ILE 72 -2.028 14.775 -3.741 604 1HD1 ILE 72 1HD1 ILE 72 -3.181 17.208 -3.692 605 2HD1 ILE 72 2HD1 ILE 72 -4.802 16.743 -3.174 606 3HD1 ILE 72 3HD1 ILE 72 -3.748 15.557 -3.947 607 H THR 73 H THR 73 0.179 13.618 0.320 608 HA THR 73 HA THR 73 2.834 14.870 -0.130 609 HB THR 73 HB THR 73 2.149 12.212 1.144 610 HG1 THR 73 HG1 THR 73 1.997 13.394 3.074 611 1HG2 THR 73 1HG2 THR 73 4.354 12.146 1.564 612 2HG2 THR 73 2HG2 THR 73 4.252 13.696 2.400 613 3HG2 THR 73 3HG2 THR 73 4.559 13.649 0.663 614 H VAL 74 H VAL 74 4.356 14.025 -1.568 615 HA VAL 74 HA VAL 74 3.337 12.128 -3.601 616 HB VAL 74 HB VAL 74 4.511 14.366 -4.029 617 1HG1 VAL 74 1HG1 VAL 74 6.706 14.666 -3.470 618 2HG1 VAL 74 2HG1 VAL 74 7.116 12.977 -3.765 619 3HG1 VAL 74 3HG1 VAL 74 6.347 13.444 -2.249 620 1HG2 VAL 74 1HG2 VAL 74 6.168 12.336 -5.396 621 2HG2 VAL 74 2HG2 VAL 74 5.102 13.563 -6.079 622 3HG2 VAL 74 3HG2 VAL 74 4.431 12.046 -5.479 623 H SER 75 H SER 75 5.236 10.634 -4.452 624 HA SER 75 HA SER 75 6.802 9.467 -2.199 625 1HB SER 75 1HB SER 75 4.386 8.398 -3.408 626 2HB SER 75 2HB SER 75 5.731 7.277 -3.584 627 HG SER 75 HG SER 75 5.923 7.152 -1.431 628 H THR 76 H THR 76 8.522 8.020 -2.973 629 HA THR 76 HA THR 76 9.107 8.252 -5.902 630 HB THR 76 HB THR 76 11.508 8.635 -5.132 631 HG1 THR 76 HG1 THR 76 11.132 7.898 -2.986 632 1HG2 THR 76 1HG2 THR 76 11.065 11.035 -4.523 633 2HG2 THR 76 2HG2 THR 76 9.349 10.639 -4.427 634 3HG2 THR 76 3HG2 THR 76 10.203 10.493 -5.962 635 H GLY 77 H GLY 77 9.813 6.306 -6.784 636 1HA GLY 77 1HA GLY 77 11.147 4.298 -5.131 637 2HA GLY 77 2HA GLY 77 9.516 3.837 -5.619 638 H PHE 78 H PHE 78 11.328 2.178 -6.572 639 HA PHE 78 HA PHE 78 11.447 2.830 -9.473 640 1HB PHE 78 1HB PHE 78 13.602 3.137 -7.717 641 2HB PHE 78 2HB PHE 78 13.899 1.582 -8.493 642 HD1 PHE 78 HD1 PHE 78 15.118 1.625 -10.471 643 HD2 PHE 78 HD2 PHE 78 12.665 5.001 -9.452 644 HE1 PHE 78 HE1 PHE 78 15.879 2.795 -12.521 645 HE2 PHE 78 HE2 PHE 78 13.425 6.172 -11.503 646 HZ PHE 78 HZ PHE 78 15.032 5.069 -13.038 647 H MET 79 H MET 79 10.521 1.050 -10.461 648 HA MET 79 HA MET 79 10.544 -1.562 -9.051 649 1HB MET 79 1HB MET 79 9.195 -0.781 -11.648 650 2HB MET 79 2HB MET 79 8.738 -2.078 -10.543 651 1HG MET 79 1HG MET 79 8.741 0.828 -9.703 652 2HG MET 79 2HG MET 79 7.327 0.054 -10.418 653 1HE MET 79 1HE MET 79 5.866 -0.995 -9.639 654 2HE MET 79 2HE MET 79 6.154 -2.485 -8.745 655 3HE MET 79 3HE MET 79 5.442 -1.085 -7.932 656 H SER 80 H SER 80 10.839 -3.523 -10.579 657 HA SER 80 HA SER 80 12.703 -3.068 -12.834 658 1HB SER 80 1HB SER 80 14.480 -4.357 -11.779 659 2HB SER 80 2HB SER 80 14.019 -3.050 -10.692 660 HG SER 80 HG SER 80 12.728 -4.543 -9.564 661 H ILE 81 H ILE 81 11.554 -4.289 -14.317 662 HA ILE 81 HA ILE 81 11.245 -7.188 -13.762 663 HB ILE 81 HB ILE 81 8.819 -6.932 -14.598 664 1HG1 ILE 81 1HG1 ILE 81 9.489 -4.056 -13.897 665 2HG1 ILE 81 2HG1 ILE 81 9.002 -4.664 -15.480 666 1HG2 ILE 81 1HG2 ILE 81 9.564 -7.327 -12.205 667 2HG2 ILE 81 2HG2 ILE 81 8.009 -6.512 -12.373 668 3HG2 ILE 81 3HG2 ILE 81 9.450 -5.585 -11.961 669 1HD1 ILE 81 1HD1 ILE 81 7.001 -3.787 -14.590 670 2HD1 ILE 81 2HD1 ILE 81 7.344 -4.406 -12.975 671 3HD1 ILE 81 3HD1 ILE 81 6.875 -5.516 -14.264 672 1H MET 1 1H MET 1 14.743 -0.099 2.314 673 2H MET 1 2H MET 1 14.564 1.557 1.976 674 3H MET 1 3H MET 1 15.697 0.629 1.114 675 HA MET 1 HA MET 1 13.095 1.163 0.359 676 1HB MET 1 1HB MET 1 15.388 -0.609 -0.450 677 2HB MET 1 2HB MET 1 13.879 -0.677 -1.361 678 1HG MET 1 1HG MET 1 14.797 1.051 -2.531 679 2HG MET 1 2HG MET 1 14.228 2.018 -1.170 680 1HE MET 1 1HE MET 1 18.035 1.123 -2.902 681 2HE MET 1 2HE MET 1 16.412 1.540 -3.448 682 3HE MET 1 3HE MET 1 17.530 2.811 -2.937 683 H THR 2 H THR 2 11.972 -1.036 -0.751 684 HA THR 2 HA THR 2 11.624 -3.098 1.372 685 HB THR 2 HB THR 2 10.016 -1.298 1.840 686 HG1 THR 2 HG1 THR 2 8.878 -2.995 2.300 687 1HG2 THR 2 1HG2 THR 2 8.402 -1.611 -0.560 688 2HG2 THR 2 2HG2 THR 2 10.015 -1.002 -0.935 689 3HG2 THR 2 3HG2 THR 2 8.989 -0.135 0.208 690 HA PRO 3 HA PRO 3 10.729 -5.342 -2.344 691 1HB PRO 3 1HB PRO 3 9.866 -7.704 -1.284 692 2HB PRO 3 2HB PRO 3 11.547 -7.147 -1.148 693 1HG PRO 3 1HG PRO 3 9.370 -7.104 0.863 694 2HG PRO 3 2HG PRO 3 11.107 -7.363 1.080 695 1HD PRO 3 1HD PRO 3 9.791 -5.001 1.611 696 2HD PRO 3 2HD PRO 3 11.531 -5.143 1.288 697 H ILE 4 H ILE 4 9.032 -5.891 -3.779 698 HA ILE 4 HA ILE 4 6.256 -5.994 -2.696 699 HB ILE 4 HB ILE 4 5.730 -4.376 -4.679 700 1HG1 ILE 4 1HG1 ILE 4 8.534 -3.417 -4.186 701 2HG1 ILE 4 2HG1 ILE 4 8.252 -4.670 -5.395 702 1HG2 ILE 4 1HG2 ILE 4 6.724 -2.432 -3.105 703 2HG2 ILE 4 2HG2 ILE 4 6.880 -3.795 -1.996 704 3HG2 ILE 4 3HG2 ILE 4 5.301 -3.374 -2.659 705 1HD1 ILE 4 1HD1 ILE 4 7.441 -1.807 -5.409 706 2HD1 ILE 4 2HD1 ILE 4 6.299 -2.959 -6.100 707 3HD1 ILE 4 3HD1 ILE 4 7.934 -2.842 -6.749 708 H VAL 5 H VAL 5 4.720 -6.812 -4.370 709 HA VAL 5 HA VAL 5 5.990 -8.176 -6.694 710 HB VAL 5 HB VAL 5 6.075 -9.715 -4.764 711 1HG1 VAL 5 1HG1 VAL 5 4.111 -8.616 -3.599 712 2HG1 VAL 5 2HG1 VAL 5 4.078 -10.379 -3.591 713 3HG1 VAL 5 3HG1 VAL 5 3.055 -9.484 -4.713 714 1HG2 VAL 5 1HG2 VAL 5 3.826 -10.562 -6.607 715 2HG2 VAL 5 2HG2 VAL 5 5.021 -11.593 -5.820 716 3HG2 VAL 5 3HG2 VAL 5 5.511 -10.511 -7.124 717 H HIS 6 H HIS 6 4.675 -7.891 -8.450 718 HA HIS 6 HA HIS 6 1.841 -7.065 -7.984 719 1HB HIS 6 1HB HIS 6 3.998 -6.476 -9.922 720 2HB HIS 6 2HB HIS 6 2.388 -6.612 -10.623 721 HD1 HIS 6 HD1 HIS 6 2.941 -3.907 -10.955 722 HD2 HIS 6 HD2 HIS 6 2.042 -5.227 -7.105 723 HE1 HIS 6 HE1 HIS 6 2.298 -1.851 -9.626 724 H LEU 7 H LEU 7 0.376 -8.695 -8.257 725 HA LEU 7 HA LEU 7 1.042 -10.908 -10.166 726 1HB LEU 7 1HB LEU 7 -0.536 -12.204 -8.762 727 2HB LEU 7 2HB LEU 7 0.750 -11.495 -7.782 728 HG LEU 7 HG LEU 7 -1.241 -9.521 -7.894 729 1HD1 LEU 7 1HD1 LEU 7 -2.417 -12.082 -8.357 730 2HD1 LEU 7 2HD1 LEU 7 -3.233 -10.540 -8.098 731 3HD1 LEU 7 3HD1 LEU 7 -2.848 -11.575 -6.723 732 1HD2 LEU 7 1HD2 LEU 7 -1.343 -9.866 -5.521 733 2HD2 LEU 7 2HD2 LEU 7 0.306 -10.258 -6.007 734 3HD2 LEU 7 3HD2 LEU 7 -0.847 -11.551 -5.681 735 H LYS 8 H LYS 8 -0.604 -11.571 -11.652 736 HA LYS 8 HA LYS 8 -3.014 -9.805 -11.841 737 1HB LYS 8 1HB LYS 8 -1.441 -8.834 -13.336 738 2HB LYS 8 2HB LYS 8 -0.859 -10.408 -13.873 739 1HG LYS 8 1HG LYS 8 -2.236 -9.621 -15.644 740 2HG LYS 8 2HG LYS 8 -3.228 -10.797 -14.786 741 1HD LYS 8 1HD LYS 8 -4.318 -8.976 -13.532 742 2HD LYS 8 2HD LYS 8 -3.318 -7.794 -14.378 743 1HE LYS 8 1HE LYS 8 -4.709 -9.628 -16.209 744 2HE LYS 8 2HE LYS 8 -5.809 -8.633 -15.235 745 1HZ LYS 8 1HZ LYS 8 -3.715 -7.785 -17.113 746 2HZ LYS 8 2HZ LYS 8 -4.060 -6.794 -15.778 747 3HZ LYS 8 3HZ LYS 8 -5.280 -7.168 -16.900 748 H GLY 9 H GLY 9 -4.724 -10.765 -13.160 749 1HA GLY 9 1HA GLY 9 -4.724 -13.273 -14.408 750 2HA GLY 9 2HA GLY 9 -5.047 -13.603 -12.705 751 H ASP 10 H ASP 10 -7.135 -14.358 -13.961 752 HA ASP 10 HA ASP 10 -9.002 -12.407 -14.932 753 1HB ASP 10 1HB ASP 10 -9.504 -15.095 -13.615 754 2HB ASP 10 2HB ASP 10 -10.578 -14.262 -14.739 755 H ALA 11 H ALA 11 -10.586 -11.227 -13.845 756 HA ALA 11 HA ALA 11 -10.249 -10.346 -11.213 757 1HB ALA 11 1HB ALA 11 -11.742 -9.045 -12.363 758 2HB ALA 11 2HB ALA 11 -12.394 -10.418 -13.256 759 3HB ALA 11 3HB ALA 11 -12.936 -10.101 -11.608 760 H ASN 12 H ASN 12 -12.978 -12.483 -12.115 761 HA ASN 12 HA ASN 12 -13.730 -13.320 -9.570 762 1HB ASN 12 1HB ASN 12 -13.672 -14.661 -12.273 763 2HB ASN 12 2HB ASN 12 -14.377 -15.475 -10.876 764 1HD2 ASN 12 1HD2 ASN 12 -15.852 -13.694 -9.545 765 2HD2 ASN 12 2HD2 ASN 12 -16.967 -12.884 -10.537 766 H THR 13 H THR 13 -11.228 -14.829 -11.640 767 HA THR 13 HA THR 13 -10.528 -16.984 -9.937 768 HB THR 13 HB THR 13 -8.930 -15.287 -11.876 769 HG1 THR 13 HG1 THR 13 -9.840 -17.903 -12.292 770 1HG2 THR 13 1HG2 THR 13 -7.186 -16.347 -10.816 771 2HG2 THR 13 2HG2 THR 13 -7.652 -17.637 -11.923 772 3HG2 THR 13 3HG2 THR 13 -8.200 -17.674 -10.248 773 H LEU 14 H LEU 14 -9.850 -13.571 -9.625 774 HA LEU 14 HA LEU 14 -7.568 -13.888 -7.827 775 1HB LEU 14 1HB LEU 14 -9.391 -11.631 -8.674 776 2HB LEU 14 2HB LEU 14 -8.097 -11.392 -7.501 777 HG LEU 14 HG LEU 14 -7.639 -12.605 -10.237 778 1HD1 LEU 14 1HD1 LEU 14 -6.925 -9.782 -9.459 779 2HD1 LEU 14 2HD1 LEU 14 -8.509 -10.154 -10.141 780 3HD1 LEU 14 3HD1 LEU 14 -7.049 -10.487 -11.072 781 1HD2 LEU 14 1HD2 LEU 14 -6.055 -12.835 -8.118 782 2HD2 LEU 14 2HD2 LEU 14 -5.594 -11.192 -8.558 783 3HD2 LEU 14 3HD2 LEU 14 -5.375 -12.507 -9.712 784 H LYS 15 H LYS 15 -11.063 -13.577 -7.475 785 HA LYS 15 HA LYS 15 -11.205 -12.839 -4.729 786 1HB LYS 15 1HB LYS 15 -13.133 -12.817 -6.180 787 2HB LYS 15 2HB LYS 15 -12.957 -14.537 -6.530 788 1HG LYS 15 1HG LYS 15 -13.357 -15.028 -4.113 789 2HG LYS 15 2HG LYS 15 -13.656 -13.310 -3.848 790 1HD LYS 15 1HD LYS 15 -15.187 -14.892 -5.916 791 2HD LYS 15 2HD LYS 15 -15.720 -14.787 -4.238 792 1HE LYS 15 1HE LYS 15 -15.820 -12.336 -4.391 793 2HE LYS 15 2HE LYS 15 -15.226 -12.406 -6.062 794 1HZ LYS 15 1HZ LYS 15 -17.182 -14.172 -6.200 795 2HZ LYS 15 2HZ LYS 15 -17.435 -12.519 -6.498 796 3HZ LYS 15 3HZ LYS 15 -17.824 -13.181 -4.982 797 H CYS 16 H CYS 16 -10.702 -15.994 -6.270 798 HA CYS 16 HA CYS 16 -11.043 -17.589 -3.888 799 1HB CYS 16 1HB CYS 16 -10.943 -18.070 -6.514 800 2HB CYS 16 2HB CYS 16 -9.251 -18.402 -6.139 801 HG CYS 16 HG CYS 16 -10.608 -19.943 -4.117 802 H LEU 17 H LEU 17 -8.115 -16.346 -5.553 803 HA LEU 17 HA LEU 17 -6.176 -17.500 -3.834 804 1HB LEU 17 1HB LEU 17 -6.356 -15.073 -5.601 805 2HB LEU 17 2HB LEU 17 -4.903 -15.343 -4.638 806 HG LEU 17 HG LEU 17 -5.163 -17.808 -5.652 807 1HD1 LEU 17 1HD1 LEU 17 -5.786 -17.396 -8.133 808 2HD1 LEU 17 2HD1 LEU 17 -6.606 -15.952 -7.541 809 3HD1 LEU 17 3HD1 LEU 17 -7.104 -17.544 -6.970 810 1HD2 LEU 17 1HD2 LEU 17 -4.028 -15.982 -7.662 811 2HD2 LEU 17 2HD2 LEU 17 -3.241 -17.255 -6.729 812 3HD2 LEU 17 3HD2 LEU 17 -3.473 -15.657 -6.019 813 H ARG 18 H ARG 18 -7.581 -14.204 -3.674 814 HA ARG 18 HA ARG 18 -6.344 -13.176 -1.428 815 1HB ARG 18 1HB ARG 18 -8.152 -12.212 -2.959 816 2HB ARG 18 2HB ARG 18 -9.326 -13.033 -1.932 817 1HG ARG 18 1HG ARG 18 -8.507 -11.817 0.030 818 2HG ARG 18 2HG ARG 18 -7.268 -11.034 -0.953 819 1HD ARG 18 1HD ARG 18 -9.973 -10.734 -2.071 820 2HD ARG 18 2HD ARG 18 -9.777 -9.980 -0.476 821 HE ARG 18 HE ARG 18 -7.482 -9.425 -2.126 822 1HH1 ARG 18 1HH1 ARG 18 -10.471 -8.924 -3.309 823 2HH1 ARG 18 2HH1 ARG 18 -10.471 -7.195 -3.204 824 1HH2 ARG 18 1HH2 ARG 18 -7.609 -7.047 -1.255 825 2HH2 ARG 18 2HH2 ARG 18 -8.853 -6.134 -2.042 826 H TYR 19 H TYR 19 -8.650 -15.821 -1.527 827 HA TYR 19 HA TYR 19 -9.486 -15.790 1.216 828 1HB TYR 19 1HB TYR 19 -10.617 -17.068 -0.520 829 2HB TYR 19 2HB TYR 19 -9.156 -18.005 -0.831 830 HD1 TYR 19 HD1 TYR 19 -11.175 -17.013 2.182 831 HD2 TYR 19 HD2 TYR 19 -9.169 -20.152 0.042 832 HE1 TYR 19 HE1 TYR 19 -11.829 -18.632 3.945 833 HE2 TYR 19 HE2 TYR 19 -9.820 -21.770 1.804 834 HH TYR 19 HH TYR 19 -10.546 -21.201 4.645 835 H ARG 20 H ARG 20 -6.723 -17.334 -0.423 836 HA ARG 20 HA ARG 20 -5.776 -18.717 1.947 837 1HB ARG 20 1HB ARG 20 -4.539 -17.940 -0.710 838 2HB ARG 20 2HB ARG 20 -3.738 -18.981 0.468 839 1HG ARG 20 1HG ARG 20 -5.761 -20.488 0.391 840 2HG ARG 20 2HG ARG 20 -6.363 -19.511 -0.949 841 1HD ARG 20 1HD ARG 20 -5.185 -20.972 -2.259 842 2HD ARG 20 2HD ARG 20 -3.762 -20.049 -1.734 843 HE ARG 20 HE ARG 20 -3.844 -21.706 0.305 844 1HH1 ARG 20 1HH2 ARG 20 -2.410 -22.605 -2.237 845 2HH1 ARG 20 2HH2 ARG 20 -3.072 -24.193 -2.448 846 1HH2 ARG 20 1HH1 ARG 20 -5.716 -23.668 -0.267 847 2HH2 ARG 20 2HH1 ARG 20 -4.942 -24.793 -1.333 848 H PHE 21 H PHE 21 -5.453 -15.477 0.714 849 HA PHE 21 HA PHE 21 -2.979 -14.737 1.979 850 1HB PHE 21 1HB PHE 21 -5.453 -13.305 1.001 851 2HB PHE 21 2HB PHE 21 -4.132 -12.413 1.753 852 HD1 PHE 21 HD1 PHE 21 -2.856 -15.322 0.184 853 HD2 PHE 21 HD2 PHE 21 -4.241 -11.343 -0.670 854 HE1 PHE 21 HE1 PHE 21 -1.612 -15.348 -1.961 855 HE2 PHE 21 HE2 PHE 21 -2.995 -11.371 -2.815 856 HZ PHE 21 HZ PHE 21 -1.681 -13.373 -3.459 857 H LYS 22 H LYS 22 -6.316 -14.923 3.115 858 HA LYS 22 HA LYS 22 -6.046 -13.407 5.524 859 1HB LYS 22 1HB LYS 22 -7.790 -15.781 4.785 860 2HB LYS 22 2HB LYS 22 -8.085 -14.705 6.152 861 1HG LYS 22 1HG LYS 22 -7.875 -13.748 3.285 862 2HG LYS 22 2HG LYS 22 -9.404 -14.126 4.078 863 1HD LYS 22 1HD LYS 22 -8.445 -12.502 5.948 864 2HD LYS 22 2HD LYS 22 -7.508 -11.870 4.594 865 1HE LYS 22 1HE LYS 22 -9.328 -10.687 3.948 866 2HE LYS 22 2HE LYS 22 -10.184 -12.215 3.665 867 1HZ LYS 22 1HZ LYS 22 -11.307 -10.865 5.349 868 2HZ LYS 22 2HZ LYS 22 -9.899 -10.866 6.300 869 3HZ LYS 22 3HZ LYS 22 -10.732 -12.319 6.007 870 H LYS 23 H LYS 23 -5.307 -16.787 4.747 871 HA LYS 23 HA LYS 23 -4.847 -17.602 7.501 872 1HB LYS 23 1HB LYS 23 -3.992 -18.760 4.827 873 2HB LYS 23 2HB LYS 23 -3.932 -19.617 6.368 874 1HG LYS 23 1HG LYS 23 -6.491 -18.402 5.318 875 2HG LYS 23 2HG LYS 23 -5.994 -20.042 4.897 876 1HD LYS 23 1HD LYS 23 -5.633 -19.963 7.645 877 2HD LYS 23 2HD LYS 23 -7.108 -19.026 7.407 878 1HE LYS 23 1HE LYS 23 -6.971 -21.506 5.797 879 2HE LYS 23 2HE LYS 23 -7.069 -21.759 7.552 880 1HZ LYS 23 1HZ LYS 23 -8.905 -20.175 7.631 881 2HZ LYS 23 2HZ LYS 23 -9.278 -21.483 6.612 882 3HZ LYS 23 3HZ LYS 23 -8.833 -19.984 5.948 883 H HIS 24 H HIS 24 -2.806 -16.398 4.856 884 HA HIS 24 HA HIS 24 -0.365 -16.719 6.516 885 1HB HIS 24 1HB HIS 24 -0.872 -15.761 3.680 886 2HB HIS 24 2HB HIS 24 0.725 -16.001 4.389 887 HD1 HIS 24 HD1 HIS 24 0.576 -18.626 5.758 888 HD2 HIS 24 HD2 HIS 24 -1.344 -17.983 2.114 889 HE1 HIS 24 HE1 HIS 24 0.230 -20.910 4.719 890 H CYS 25 H CYS 25 -2.292 -14.826 7.494 891 HA CYS 25 HA CYS 25 -1.909 -12.133 6.710 892 1HB CYS 25 1HB CYS 25 -2.713 -11.676 9.013 893 2HB CYS 25 2HB CYS 25 -3.632 -12.979 8.262 894 HG CYS 25 HG CYS 25 -2.693 -14.615 9.898 895 H THR 26 H THR 26 0.238 -14.293 8.405 896 HA THR 26 HA THR 26 1.928 -12.047 9.380 897 HB THR 26 HB THR 26 3.076 -13.851 10.586 898 HG1 THR 26 HG1 THR 26 1.741 -15.352 8.696 899 1HG2 THR 26 1HG2 THR 26 1.368 -13.466 12.013 900 2HG2 THR 26 2HG2 THR 26 0.662 -14.953 11.378 901 3HG2 THR 26 3HG2 THR 26 0.189 -13.394 10.703 902 H LEU 27 H LEU 27 1.575 -13.380 6.466 903 HA LEU 27 HA LEU 27 4.419 -14.001 5.912 904 1HB LEU 27 1HB LEU 27 1.793 -14.555 4.810 905 2HB LEU 27 2HB LEU 27 2.887 -13.977 3.554 906 HG LEU 27 HG LEU 27 3.339 -16.309 5.435 907 1HD1 LEU 27 1HD1 LEU 27 2.827 -17.643 3.666 908 2HD1 LEU 27 2HD1 LEU 27 3.662 -16.597 2.518 909 3HD1 LEU 27 3HD1 LEU 27 2.018 -16.211 3.029 910 1HD2 LEU 27 1HD2 LEU 27 5.512 -15.563 5.276 911 2HD2 LEU 27 2HD2 LEU 27 5.206 -14.667 3.788 912 3HD2 LEU 27 3HD2 LEU 27 5.428 -16.416 3.734 913 H TYR 28 H TYR 28 1.925 -11.694 4.752 914 HA TYR 28 HA TYR 28 4.074 -10.040 3.520 915 1HB TYR 28 1HB TYR 28 2.023 -8.868 2.569 916 2HB TYR 28 2HB TYR 28 2.185 -10.566 2.116 917 HD1 TYR 28 HD1 TYR 28 0.319 -11.937 2.357 918 HD2 TYR 28 HD2 TYR 28 0.718 -8.481 4.878 919 HE1 TYR 28 HE1 TYR 28 -1.893 -12.419 3.368 920 HE2 TYR 28 HE2 TYR 28 -1.496 -8.963 5.888 921 HH TYR 28 HH TYR 28 -3.222 -10.348 5.953 922 H THR 29 H THR 29 3.788 -7.609 3.846 923 HA THR 29 HA THR 29 3.338 -7.072 6.741 924 HB THR 29 HB THR 29 4.579 -5.342 4.583 925 HG1 THR 29 HG1 THR 29 6.513 -6.256 5.205 926 1HG2 THR 29 1HG2 THR 29 4.172 -3.991 6.462 927 2HG2 THR 29 2HG2 THR 29 5.828 -4.539 6.719 928 3HG2 THR 29 3HG2 THR 29 4.500 -5.305 7.592 929 H ALA 30 H ALA 30 2.160 -6.124 3.538 930 HA ALA 30 HA ALA 30 -0.228 -4.928 4.777 931 1HB ALA 30 1HB ALA 30 1.811 -3.274 4.675 932 2HB ALA 30 2HB ALA 30 1.408 -3.175 2.961 933 3HB ALA 30 3HB ALA 30 0.218 -2.706 4.176 934 H VAL 31 H VAL 31 -1.808 -5.801 3.504 935 HA VAL 31 HA VAL 31 -1.276 -6.414 0.656 936 HB VAL 31 HB VAL 31 -2.405 -7.983 2.265 937 1HG1 VAL 31 1HG1 VAL 31 -4.688 -7.498 2.976 938 2HG1 VAL 31 2HG1 VAL 31 -4.666 -5.965 2.104 939 3HG1 VAL 31 3HG1 VAL 31 -3.628 -6.195 3.512 940 1HG2 VAL 31 1HG2 VAL 31 -4.504 -8.279 0.712 941 2HG2 VAL 31 2HG2 VAL 31 -2.891 -8.510 0.036 942 3HG2 VAL 31 3HG2 VAL 31 -3.754 -6.996 -0.238 943 H SER 32 H SER 32 -2.106 -5.167 -1.020 944 HA SER 32 HA SER 32 -3.757 -2.792 -0.246 945 1HB SER 32 1HB SER 32 -1.435 -3.255 -1.863 946 2HB SER 32 2HB SER 32 -2.721 -2.647 -2.900 947 HG SER 32 HG SER 32 -2.017 -0.809 -2.090 948 H SER 33 H SER 33 -5.554 -2.218 -1.625 949 HA SER 33 HA SER 33 -7.213 -4.370 -2.490 950 1HB SER 33 1HB SER 33 -7.758 -1.946 -1.820 951 2HB SER 33 2HB SER 33 -7.314 -1.508 -3.468 952 HG SER 33 HG SER 33 -9.488 -1.918 -3.468 953 H THR 34 H THR 34 -7.949 -4.751 -4.754 954 HA THR 34 HA THR 34 -5.756 -5.185 -6.569 955 HB THR 34 HB THR 34 -7.685 -6.624 -6.549 956 HG1 THR 34 HG1 THR 34 -7.499 -6.753 -8.616 957 1HG2 THR 34 1HG2 THR 34 -9.146 -4.022 -6.727 958 2HG2 THR 34 2HG2 THR 34 -9.486 -5.431 -5.724 959 3HG2 THR 34 3HG2 THR 34 -9.896 -5.449 -7.439 960 H TRP 35 H TRP 35 -4.918 -3.811 -8.093 961 HA TRP 35 HA TRP 35 -6.584 -1.590 -9.166 962 1HB TRP 35 1HB TRP 35 -5.026 0.077 -8.464 963 2HB TRP 35 2HB TRP 35 -5.250 -0.954 -7.053 964 HD1 TRP 35 HD1 TRP 35 -3.370 -3.165 -7.116 965 HE1 TRP 35 HE1 TRP 35 -0.820 -2.944 -7.433 966 HE3 TRP 35 HE3 TRP 35 -3.149 1.441 -9.314 967 HZ2 TRP 35 HZ2 TRP 35 1.062 -1.063 -8.482 968 HZ3 TRP 35 HZ3 TRP 35 -0.965 2.422 -9.960 969 HH2 TRP 35 HH2 TRP 35 1.138 1.176 -9.548 970 H HIS 36 H HIS 36 -5.639 -0.733 -11.200 971 HA HIS 36 HA HIS 36 -3.238 -2.038 -12.281 972 1HB HIS 36 1HB HIS 36 -4.597 -3.107 -14.134 973 2HB HIS 36 2HB HIS 36 -4.844 -3.817 -12.540 974 HD1 HIS 36 HD1 HIS 36 -6.403 -0.870 -14.423 975 HD2 HIS 36 HD2 HIS 36 -7.543 -4.147 -12.110 976 HE1 HIS 36 HE1 HIS 36 -8.931 -0.796 -14.271 977 H TRP 37 H TRP 37 -3.394 -1.594 -14.870 978 HA TRP 37 HA TRP 37 -3.466 1.327 -15.131 979 1HB TRP 37 1HB TRP 37 -2.995 -0.882 -17.161 980 2HB TRP 37 2HB TRP 37 -2.551 0.815 -17.349 981 HD1 TRP 37 HD1 TRP 37 -1.014 -2.310 -16.507 982 HE1 TRP 37 HE1 TRP 37 1.112 -2.000 -15.082 983 HE3 TRP 37 HE3 TRP 37 -1.640 2.542 -15.032 984 HZ2 TRP 37 HZ2 TRP 37 2.378 0.037 -13.522 985 HZ3 TRP 37 HZ3 TRP 37 0.040 3.641 -13.578 986 HH2 TRP 37 HH2 TRP 37 2.046 2.395 -12.822 987 H THR 38 H THR 38 -5.043 2.518 -16.229 988 HA THR 38 HA THR 38 -7.356 0.965 -17.345 989 HB THR 38 HB THR 38 -8.061 3.622 -16.517 990 HG1 THR 38 HG1 THR 38 -7.244 3.747 -14.558 991 1HG2 THR 38 1HG2 THR 38 -9.148 1.102 -16.506 992 2HG2 THR 38 2HG2 THR 38 -9.842 2.498 -15.679 993 3HG2 THR 38 3HG2 THR 38 -8.823 1.363 -14.792 994 H GLY 39 H GLY 39 -4.939 2.043 -18.757 995 1HA GLY 39 1HA GLY 39 -5.914 4.377 -20.247 996 2HA GLY 39 2HA GLY 39 -4.400 3.518 -20.538 997 H HIS 40 H HIS 40 -4.449 2.755 -22.602 998 HA HIS 40 HA HIS 40 -7.011 1.556 -23.600 999 1HB HIS 40 1HB HIS 40 -6.289 2.252 -25.776 1000 2HB HIS 40 2HB HIS 40 -5.940 3.607 -24.704 1001 HD1 HIS 40 HD1 HIS 40 -3.547 4.374 -24.580 1002 HD2 HIS 40 HD2 HIS 40 -3.891 0.606 -26.331 1003 HE1 HIS 40 HE1 HIS 40 -1.241 3.766 -25.432 1004 H ASN 41 H ASN 41 -4.047 0.699 -22.351 1005 HA ASN 41 HA ASN 41 -3.460 -1.531 -24.184 1006 1HB ASN 41 1HB ASN 41 -1.979 0.069 -22.563 1007 2HB ASN 41 2HB ASN 41 -2.201 -1.323 -21.503 1008 1HD2 ASN 41 1HD2 ASN 41 -1.876 -3.540 -22.839 1009 2HD2 ASN 41 2HD2 ASN 41 -0.494 -3.567 -23.823 1010 H VAL 42 H VAL 42 -6.062 -1.782 -23.155 1011 HA VAL 42 HA VAL 42 -5.788 -4.297 -21.602 1012 HB VAL 42 HB VAL 42 -7.473 -3.441 -19.959 1013 1HG1 VAL 42 1HG1 VAL 42 -5.232 -1.449 -19.983 1014 2HG1 VAL 42 2HG1 VAL 42 -4.843 -3.163 -19.840 1015 3HG1 VAL 42 3HG1 VAL 42 -5.875 -2.389 -18.638 1016 1HG2 VAL 42 1HG2 VAL 42 -7.415 -0.742 -20.085 1017 2HG2 VAL 42 2HG2 VAL 42 -8.674 -1.702 -20.863 1018 3HG2 VAL 42 3HG2 VAL 42 -7.305 -1.112 -21.805 1019 H LYS 43 H LYS 43 -6.999 -5.728 -22.773 1020 HA LYS 43 HA LYS 43 -8.764 -5.222 -24.860 1021 1HB LYS 43 1HB LYS 43 -7.963 -7.431 -24.347 1022 2HB LYS 43 2HB LYS 43 -8.705 -7.393 -22.747 1023 1HG LYS 43 1HG LYS 43 -10.880 -6.919 -24.327 1024 2HG LYS 43 2HG LYS 43 -9.927 -7.966 -25.379 1025 1HD LYS 43 1HD LYS 43 -9.642 -9.390 -23.163 1026 2HD LYS 43 2HD LYS 43 -11.128 -8.560 -22.700 1027 1HE LYS 43 1HE LYS 43 -11.588 -9.353 -25.348 1028 2HE LYS 43 2HE LYS 43 -10.777 -10.742 -24.596 1029 1HZ LYS 43 1HZ LYS 43 -13.046 -10.954 -24.043 1030 2HZ LYS 43 2HZ LYS 43 -13.191 -9.309 -23.644 1031 3HZ LYS 43 3HZ LYS 43 -12.297 -10.352 -22.645 1032 H HIS 44 H HIS 44 -9.675 -5.684 -21.420 1033 HA HIS 44 HA HIS 44 -12.103 -4.013 -21.929 1034 1HB HIS 44 1HB HIS 44 -12.566 -6.476 -22.127 1035 2HB HIS 44 2HB HIS 44 -12.034 -6.667 -20.458 1036 HD1 HIS 44 HD1 HIS 44 -14.664 -7.509 -20.268 1037 HD2 HIS 44 HD2 HIS 44 -14.007 -3.422 -20.765 1038 HE1 HIS 44 HE1 HIS 44 -16.803 -6.349 -19.563 1039 H LYS 45 H LYS 45 -10.933 -5.935 -19.156 1040 HA LYS 45 HA LYS 45 -10.553 -3.382 -17.631 1041 1HB LYS 45 1HB LYS 45 -12.053 -5.914 -16.899 1042 2HB LYS 45 2HB LYS 45 -11.607 -4.689 -15.709 1043 1HG LYS 45 1HG LYS 45 -13.161 -4.025 -18.218 1044 2HG LYS 45 2HG LYS 45 -13.948 -4.463 -16.700 1045 1HD LYS 45 1HD LYS 45 -13.358 -2.500 -15.667 1046 2HD LYS 45 2HD LYS 45 -11.835 -2.373 -16.549 1047 1HE LYS 45 1HE LYS 45 -14.274 -2.139 -18.224 1048 2HE LYS 45 2HE LYS 45 -13.990 -0.800 -17.093 1049 1HZ LYS 45 1HZ LYS 45 -12.630 -0.177 -18.809 1050 2HZ LYS 45 2HZ LYS 45 -12.290 -1.773 -19.280 1051 3HZ LYS 45 3HZ LYS 45 -11.540 -1.112 -17.907 1052 H SER 46 H SER 46 -9.851 -4.833 -15.201 1053 HA SER 46 HA SER 46 -7.749 -6.755 -15.753 1054 1HB SER 46 1HB SER 46 -6.760 -4.743 -16.745 1055 2HB SER 46 2HB SER 46 -7.035 -3.847 -15.254 1056 HG SER 46 HG SER 46 -4.881 -4.711 -15.494 1057 H ALA 47 H ALA 47 -6.176 -6.729 -13.688 1058 HA ALA 47 HA ALA 47 -7.226 -5.716 -11.194 1059 1HB ALA 47 1HB ALA 47 -7.888 -8.105 -10.423 1060 2HB ALA 47 2HB ALA 47 -9.008 -7.249 -11.481 1061 3HB ALA 47 3HB ALA 47 -7.946 -8.490 -12.143 1062 H ILE 48 H ILE 48 -5.341 -5.511 -10.079 1063 HA ILE 48 HA ILE 48 -3.487 -7.837 -9.938 1064 HB ILE 48 HB ILE 48 -2.842 -5.023 -10.863 1065 1HG1 ILE 48 1HG1 ILE 48 -2.263 -7.733 -12.098 1066 2HG1 ILE 48 2HG1 ILE 48 -3.645 -6.728 -12.532 1067 1HG2 ILE 48 1HG2 ILE 48 -0.797 -5.240 -9.948 1068 2HG2 ILE 48 2HG2 ILE 48 -0.543 -6.695 -10.911 1069 3HG2 ILE 48 3HG2 ILE 48 -1.236 -6.818 -9.295 1070 1HD1 ILE 48 1HD1 ILE 48 -2.176 -4.938 -13.276 1071 2HD1 ILE 48 2HD1 ILE 48 -1.694 -6.434 -14.078 1072 3HD1 ILE 48 3HD1 ILE 48 -0.757 -5.823 -12.714 1073 H VAL 49 H VAL 49 -2.736 -8.069 -7.837 1074 HA VAL 49 HA VAL 49 -3.121 -5.739 -5.982 1075 HB VAL 49 HB VAL 49 -3.531 -8.716 -5.710 1076 1HG1 VAL 49 1HG1 VAL 49 -2.424 -8.434 -3.699 1077 2HG1 VAL 49 2HG1 VAL 49 -4.040 -7.919 -3.214 1078 3HG1 VAL 49 3HG1 VAL 49 -2.811 -6.716 -3.605 1079 1HG2 VAL 49 1HG2 VAL 49 -5.720 -7.977 -4.847 1080 2HG2 VAL 49 2HG2 VAL 49 -5.418 -7.288 -6.442 1081 3HG2 VAL 49 3HG2 VAL 49 -5.218 -6.293 -5.000 1082 H THR 50 H THR 50 -1.280 -5.041 -4.970 1083 HA THR 50 HA THR 50 1.229 -6.574 -5.360 1084 HB THR 50 HB THR 50 0.904 -3.892 -4.020 1085 HG1 THR 50 HG1 THR 50 0.120 -3.141 -5.795 1086 1HG2 THR 50 1HG2 THR 50 3.039 -3.810 -5.750 1087 2HG2 THR 50 2HG2 THR 50 3.050 -5.495 -5.233 1088 3HG2 THR 50 3HG2 THR 50 3.148 -4.205 -4.035 1089 H LEU 51 H LEU 51 2.648 -6.992 -3.508 1090 HA LEU 51 HA LEU 51 1.289 -6.940 -0.842 1091 1HB LEU 51 1HB LEU 51 2.639 -9.233 -2.297 1092 2HB LEU 51 2HB LEU 51 2.305 -9.273 -0.564 1093 HG LEU 51 HG LEU 51 -0.054 -8.404 -1.970 1094 1HD1 LEU 51 1HD1 LEU 51 1.522 -10.341 -3.396 1095 2HD1 LEU 51 2HD1 LEU 51 -0.063 -9.688 -3.817 1096 3HD1 LEU 51 3HD1 LEU 51 0.058 -11.121 -2.795 1097 1HD2 LEU 51 1HD2 LEU 51 0.048 -9.444 0.282 1098 2HD2 LEU 51 2HD2 LEU 51 0.586 -10.955 -0.452 1099 3HD2 LEU 51 3HD2 LEU 51 -1.029 -10.334 -0.794 1100 H THR 52 H THR 52 2.653 -6.093 0.696 1101 HA THR 52 HA THR 52 5.493 -5.621 -0.054 1102 HB THR 52 HB THR 52 4.912 -4.433 2.414 1103 HG1 THR 52 HG1 THR 52 2.818 -3.459 1.123 1104 1HG2 THR 52 1HG2 THR 52 4.285 -2.870 -0.018 1105 2HG2 THR 52 2HG2 THR 52 5.854 -3.676 -0.023 1106 3HG2 THR 52 3HG2 THR 52 5.449 -2.541 1.264 1107 H TYR 53 H TYR 53 7.135 -6.774 0.883 1108 HA TYR 53 HA TYR 53 6.478 -8.464 3.275 1109 1HB TYR 53 1HB TYR 53 8.381 -8.885 0.946 1110 2HB TYR 53 2HB TYR 53 8.216 -9.990 2.311 1111 HD1 TYR 53 HD1 TYR 53 6.244 -8.332 -0.405 1112 HD2 TYR 53 HD2 TYR 53 6.551 -11.654 2.305 1113 HE1 TYR 53 HE1 TYR 53 4.308 -9.416 -1.512 1114 HE2 TYR 53 HE2 TYR 53 4.615 -12.736 1.196 1115 HH TYR 53 HH TYR 53 3.544 -12.615 -1.155 1116 H ASP 54 H ASP 54 8.217 -8.693 4.845 1117 HA ASP 54 HA ASP 54 9.719 -6.270 5.320 1118 1HB ASP 54 1HB ASP 54 9.655 -9.049 6.517 1119 2HB ASP 54 2HB ASP 54 10.675 -7.766 7.169 1120 H SER 55 H SER 55 10.336 -8.968 3.331 1121 HA SER 55 HA SER 55 12.994 -8.012 2.640 1122 1HB SER 55 1HB SER 55 14.278 -9.763 3.637 1123 2HB SER 55 2HB SER 55 13.185 -9.216 4.904 1124 HG SER 55 HG SER 55 12.184 -11.072 4.830 1125 H GLU 56 H GLU 56 14.001 -9.500 0.974 1126 HA GLU 56 HA GLU 56 12.025 -10.402 -0.936 1127 1HB GLU 56 1HB GLU 56 15.033 -10.562 -0.658 1128 2HB GLU 56 2HB GLU 56 14.195 -11.243 -2.053 1129 1HG GLU 56 1HG GLU 56 13.580 -9.179 -2.871 1130 2HG GLU 56 2HG GLU 56 13.511 -8.447 -1.267 1131 H TRP 57 H TRP 57 14.115 -12.037 1.417 1132 HA TRP 57 HA TRP 57 13.879 -14.719 0.595 1133 1HB TRP 57 1HB TRP 57 15.287 -13.843 2.427 1134 2HB TRP 57 2HB TRP 57 13.841 -13.508 3.380 1135 HD1 TRP 57 HD1 TRP 57 13.630 -15.259 5.193 1136 HE1 TRP 57 HE1 TRP 57 13.910 -17.817 5.340 1137 HE3 TRP 57 HE3 TRP 57 15.201 -16.251 0.433 1138 HZ2 TRP 57 HZ2 TRP 57 14.695 -19.996 3.661 1139 HZ3 TRP 57 HZ3 TRP 57 15.707 -18.576 -0.264 1140 HH2 TRP 57 HH2 TRP 57 15.455 -20.447 1.343 1141 H GLN 58 H GLN 58 11.718 -12.939 2.838 1142 HA GLN 58 HA GLN 58 9.838 -15.005 3.284 1143 1HB GLN 58 1HB GLN 58 10.136 -12.728 4.403 1144 2HB GLN 58 2HB GLN 58 9.235 -12.049 3.047 1145 1HG GLN 58 1HG GLN 58 7.256 -13.123 3.644 1146 2HG GLN 58 2HG GLN 58 8.096 -14.397 4.529 1147 1HE2 GLN 58 1HE2 GLN 58 7.136 -10.961 4.711 1148 2HE2 GLN 58 2HE2 GLN 58 7.277 -10.844 6.399 1149 H ARG 59 H ARG 59 10.011 -12.624 0.637 1150 HA ARG 59 HA ARG 59 7.469 -13.111 -0.546 1151 1HB ARG 59 1HB ARG 59 8.824 -11.248 -1.207 1152 2HB ARG 59 2HB ARG 59 10.180 -12.295 -1.621 1153 1HG ARG 59 1HG ARG 59 7.983 -13.228 -3.136 1154 2HG ARG 59 2HG ARG 59 7.967 -11.470 -3.277 1155 1HD ARG 59 1HD ARG 59 10.165 -11.405 -4.177 1156 2HD ARG 59 2HD ARG 59 10.516 -13.062 -3.647 1157 HE ARG 59 HE ARG 59 8.285 -13.329 -5.283 1158 1HH1 ARG 59 1HH2 ARG 59 11.635 -13.112 -5.496 1159 2HH1 ARG 59 2HH2 ARG 59 11.687 -12.924 -7.217 1160 1HH2 ARG 59 1HH1 ARG 59 8.252 -12.599 -7.551 1161 2HH2 ARG 59 2HH1 ARG 59 9.773 -12.634 -8.380 1162 H ASP 60 H ASP 60 10.612 -14.713 -1.145 1163 HA ASP 60 HA ASP 60 9.753 -16.447 -3.234 1164 1HB ASP 60 1HB ASP 60 12.093 -15.913 -2.459 1165 2HB ASP 60 2HB ASP 60 11.815 -16.968 -1.072 1166 H GLN 61 H GLN 61 9.658 -16.847 0.305 1167 HA GLN 61 HA GLN 61 8.830 -19.595 0.322 1168 1HB GLN 61 1HB GLN 61 8.374 -17.318 2.275 1169 2HB GLN 61 2HB GLN 61 8.198 -19.030 2.659 1170 1HG GLN 61 1HG GLN 61 10.631 -19.259 1.789 1171 2HG GLN 61 2HG GLN 61 10.709 -17.507 1.982 1172 1HE2 GLN 61 1HE2 GLN 61 10.517 -16.631 4.176 1173 2HE2 GLN 61 2HE2 GLN 61 10.727 -17.623 5.537 1174 H PHE 62 H PHE 62 6.962 -16.551 0.344 1175 HA PHE 62 HA PHE 62 4.373 -17.604 0.730 1176 1HB PHE 62 1HB PHE 62 4.679 -15.261 0.794 1177 2HB PHE 62 2HB PHE 62 5.536 -15.244 -0.747 1178 HD1 PHE 62 HD1 PHE 62 2.322 -14.992 0.883 1179 HD2 PHE 62 HD2 PHE 62 4.245 -15.811 -2.872 1180 HE1 PHE 62 HE1 PHE 62 0.187 -14.564 -0.304 1181 HE2 PHE 62 HE2 PHE 62 2.109 -15.382 -4.058 1182 HZ PHE 62 HZ PHE 62 0.080 -14.757 -2.775 1183 H LEU 63 H LEU 63 6.133 -17.077 -2.349 1184 HA LEU 63 HA LEU 63 4.101 -18.013 -4.106 1185 1HB LEU 63 1HB LEU 63 7.124 -18.216 -4.316 1186 2HB LEU 63 2HB LEU 63 5.994 -18.279 -5.669 1187 HG LEU 63 HG LEU 63 5.929 -15.937 -3.787 1188 1HD1 LEU 63 1HD1 LEU 63 7.442 -14.984 -5.817 1189 2HD1 LEU 63 2HD1 LEU 63 8.049 -16.638 -5.745 1190 3HD1 LEU 63 3HD1 LEU 63 8.131 -15.606 -4.318 1191 1HD2 LEU 63 1HD2 LEU 63 5.615 -15.356 -6.582 1192 2HD2 LEU 63 2HD2 LEU 63 4.414 -15.231 -5.297 1193 3HD2 LEU 63 3HD2 LEU 63 4.607 -16.746 -6.178 1194 H SER 64 H SER 64 6.748 -19.813 -2.511 1195 HA SER 64 HA SER 64 6.151 -22.362 -3.704 1196 1HB SER 64 1HB SER 64 8.004 -22.922 -2.514 1197 2HB SER 64 2HB SER 64 8.070 -21.223 -2.056 1198 HG SER 64 HG SER 64 8.061 -22.583 -0.227 1199 H GLN 65 H GLN 65 4.666 -20.599 -1.086 1200 HA GLN 65 HA GLN 65 3.312 -23.026 -0.036 1201 1HB GLN 65 1HB GLN 65 3.250 -20.099 0.773 1202 2HB GLN 65 2HB GLN 65 2.543 -21.428 1.694 1203 1HG GLN 65 1HG GLN 65 5.372 -21.824 0.949 1204 2HG GLN 65 2HG GLN 65 5.087 -20.485 2.062 1205 1HE2 GLN 65 1HE2 GLN 65 5.504 -21.283 4.131 1206 2HE2 GLN 65 2HE2 GLN 65 4.909 -22.750 4.743 1207 H VAL 66 H VAL 66 2.693 -20.221 -2.040 1208 HA VAL 66 HA VAL 66 -0.236 -20.814 -2.051 1209 HB VAL 66 HB VAL 66 -0.359 -18.567 -3.090 1210 1HG1 VAL 66 1HG1 VAL 66 0.178 -19.141 -0.487 1211 2HG1 VAL 66 2HG1 VAL 66 -0.122 -17.507 -1.079 1212 3HG1 VAL 66 3HG1 VAL 66 1.533 -18.076 -0.861 1213 1HG2 VAL 66 1HG2 VAL 66 1.442 -17.822 -4.222 1214 2HG2 VAL 66 2HG2 VAL 66 2.433 -19.129 -3.574 1215 3HG2 VAL 66 3HG2 VAL 66 2.274 -17.617 -2.681 1216 H LYS 67 H LYS 67 -0.553 -22.451 -3.556 1217 HA LYS 67 HA LYS 67 0.949 -23.079 -5.834 1218 1HB LYS 67 1HB LYS 67 -1.047 -24.242 -4.689 1219 2HB LYS 67 2HB LYS 67 -2.068 -23.209 -5.690 1220 1HG LYS 67 1HG LYS 67 -1.026 -24.091 -7.720 1221 2HG LYS 67 2HG LYS 67 0.076 -25.072 -6.752 1222 1HD LYS 67 1HD LYS 67 -1.772 -26.367 -5.857 1223 2HD LYS 67 2HD LYS 67 -2.944 -25.315 -6.653 1224 1HE LYS 67 1HE LYS 67 -1.493 -26.028 -8.816 1225 2HE LYS 67 2HE LYS 67 -1.257 -27.476 -7.817 1226 1HZ LYS 67 1HZ LYS 67 -3.360 -27.371 -9.241 1227 2HZ LYS 67 2HZ LYS 67 -3.921 -26.229 -8.114 1228 3HZ LYS 67 3HZ LYS 67 -3.541 -27.807 -7.611 1229 H ILE 68 H ILE 68 1.606 -21.263 -7.077 1230 HA ILE 68 HA ILE 68 -0.422 -19.363 -8.067 1231 HB ILE 68 HB ILE 68 2.011 -18.942 -7.256 1232 1HG1 ILE 68 1HG1 ILE 68 2.273 -17.094 -8.870 1233 2HG1 ILE 68 2HG1 ILE 68 1.051 -17.830 -9.907 1234 1HG2 ILE 68 1HG2 ILE 68 2.815 -20.794 -8.908 1235 2HG2 ILE 68 2HG2 ILE 68 3.779 -19.325 -8.750 1236 3HG2 ILE 68 3HG2 ILE 68 2.696 -19.524 -10.127 1237 1HD1 ILE 68 1HD1 ILE 68 0.284 -15.963 -8.276 1238 2HD1 ILE 68 2HD1 ILE 68 0.455 -17.191 -7.021 1239 3HD1 ILE 68 3HD1 ILE 68 -0.678 -17.440 -8.349 1240 HA PRO 69 HA PRO 69 -1.126 -22.093 -11.527 1241 1HB PRO 69 1HB PRO 69 -2.730 -20.391 -12.941 1242 2HB PRO 69 2HB PRO 69 -3.313 -21.345 -11.562 1243 1HG PRO 69 1HG PRO 69 -2.532 -18.480 -11.685 1244 2HG PRO 69 2HG PRO 69 -3.850 -19.255 -10.791 1245 1HD PRO 69 1HD PRO 69 -1.499 -18.483 -9.646 1246 2HD PRO 69 2HD PRO 69 -2.505 -19.811 -9.032 1247 H LYS 70 H LYS 70 -0.770 -21.852 -13.952 1248 HA LYS 70 HA LYS 70 1.698 -20.360 -14.446 1249 1HB LYS 70 1HB LYS 70 -0.019 -22.404 -15.750 1250 2HB LYS 70 2HB LYS 70 0.949 -21.405 -16.837 1251 1HG LYS 70 1HG LYS 70 2.728 -22.026 -14.803 1252 2HG LYS 70 2HG LYS 70 1.806 -23.517 -15.000 1253 1HD LYS 70 1HD LYS 70 2.233 -23.413 -17.457 1254 2HD LYS 70 2HD LYS 70 3.247 -21.994 -17.190 1255 1HE LYS 70 1HE LYS 70 4.563 -23.472 -15.520 1256 2HE LYS 70 2HE LYS 70 3.741 -24.840 -16.297 1257 1HZ LYS 70 1HZ LYS 70 4.422 -23.754 -18.468 1258 2HZ LYS 70 2HZ LYS 70 5.663 -24.495 -17.574 1259 3HZ LYS 70 3HZ LYS 70 5.488 -22.805 -17.551 1260 H THR 71 H THR 71 -1.647 -19.680 -14.747 1261 HA THR 71 HA THR 71 -1.389 -17.835 -17.023 1262 HB THR 71 HB THR 71 -3.572 -18.559 -15.050 1263 HG1 THR 71 HG1 THR 71 -3.127 -19.068 -17.801 1264 1HG2 THR 71 1HG2 THR 71 -4.178 -16.371 -15.621 1265 2HG2 THR 71 2HG2 THR 71 -4.999 -17.323 -16.858 1266 3HG2 THR 71 3HG2 THR 71 -3.485 -16.501 -17.239 1267 H ILE 72 H ILE 72 -1.185 -17.705 -13.538 1268 HA ILE 72 HA ILE 72 -1.458 -14.749 -13.487 1269 HB ILE 72 HB ILE 72 -1.097 -16.925 -11.405 1270 1HG1 ILE 72 1HG1 ILE 72 -3.417 -15.081 -12.067 1271 2HG1 ILE 72 2HG1 ILE 72 -3.307 -16.778 -12.535 1272 1HG2 ILE 72 1HG2 ILE 72 -0.964 -13.950 -11.214 1273 2HG2 ILE 72 2HG2 ILE 72 -0.156 -15.177 -10.237 1274 3HG2 ILE 72 3HG2 ILE 72 -1.856 -14.801 -9.951 1275 1HD1 ILE 72 1HD1 ILE 72 -2.986 -17.262 -10.023 1276 2HD1 ILE 72 2HD1 ILE 72 -4.603 -16.799 -10.553 1277 3HD1 ILE 72 3HD1 ILE 72 -3.562 -15.616 -9.760 1278 H THR 73 H THR 73 0.379 -13.617 -13.978 1279 HA THR 73 HA THR 73 3.048 -14.834 -13.516 1280 HB THR 73 HB THR 73 2.333 -12.179 -14.779 1281 HG1 THR 73 HG1 THR 73 2.159 -13.329 -16.705 1282 1HG2 THR 73 1HG2 THR 73 4.526 -12.088 -15.260 1283 2HG2 THR 73 2HG2 THR 73 4.462 -13.685 -16.006 1284 3HG2 THR 73 3HG2 THR 73 4.761 -13.533 -14.274 1285 H VAL 74 H VAL 74 4.543 -13.977 -12.056 1286 HA VAL 74 HA VAL 74 3.485 -12.091 -10.032 1287 HB VAL 74 HB VAL 74 4.685 -14.321 -9.611 1288 1HG1 VAL 74 1HG1 VAL 74 6.905 -14.569 -10.116 1289 2HG1 VAL 74 2HG1 VAL 74 7.264 -12.866 -9.832 1290 3HG1 VAL 74 3HG1 VAL 74 6.529 -13.370 -11.354 1291 1HG2 VAL 74 1HG2 VAL 74 6.244 -12.204 -8.221 1292 2HG2 VAL 74 2HG2 VAL 74 5.309 -13.538 -7.546 1293 3HG2 VAL 74 3HG2 VAL 74 4.488 -12.080 -8.107 1294 H SER 75 H SER 75 5.365 -10.578 -9.163 1295 HA SER 75 HA SER 75 6.939 -9.400 -11.403 1296 1HB SER 75 1HB SER 75 4.503 -8.347 -10.220 1297 2HB SER 75 2HB SER 75 5.837 -7.210 -10.052 1298 HG SER 75 HG SER 75 6.032 -7.108 -12.204 1299 H THR 76 H THR 76 8.638 -7.933 -10.621 1300 HA THR 76 HA THR 76 9.202 -8.155 -7.687 1301 HB THR 76 HB THR 76 11.611 -8.512 -8.437 1302 HG1 THR 76 HG1 THR 76 11.248 -7.775 -10.586 1303 1HG2 THR 76 1HG2 THR 76 11.185 -10.918 -9.082 1304 2HG2 THR 76 2HG2 THR 76 9.466 -10.528 -9.141 1305 3HG2 THR 76 3HG2 THR 76 10.349 -10.393 -7.620 1306 H GLY 77 H GLY 77 9.862 -6.201 -6.800 1307 1HA GLY 77 1HA GLY 77 11.188 -4.174 -8.442 1308 2HA GLY 77 2HA GLY 77 9.551 -3.735 -7.956 1309 H PHE 78 H PHE 78 11.348 -2.061 -6.991 1310 HA PHE 78 HA PHE 78 11.455 -2.715 -4.089 1311 1HB PHE 78 1HB PHE 78 13.630 -3.006 -5.831 1312 2HB PHE 78 2HB PHE 78 13.908 -1.452 -5.047 1313 HD1 PHE 78 HD1 PHE 78 15.137 -1.504 -3.078 1314 HD2 PHE 78 HD2 PHE 78 12.668 -4.873 -4.087 1315 HE1 PHE 78 HE1 PHE 78 15.892 -2.671 -1.025 1316 HE2 PHE 78 HE2 PHE 78 13.422 -6.039 -2.031 1317 HZ PHE 78 HZ PHE 78 15.034 -4.939 -0.499 1318 H MET 79 H MET 79 10.497 -0.946 -3.122 1319 HA MET 79 HA MET 79 10.503 1.664 -4.532 1320 1HB MET 79 1HB MET 79 9.154 0.858 -1.941 1321 2HB MET 79 2HB MET 79 8.688 2.159 -3.036 1322 1HG MET 79 1HG MET 79 8.725 -0.739 -3.902 1323 2HG MET 79 2HG MET 79 7.302 0.012 -3.183 1324 1HE MET 79 1HE MET 79 5.819 1.037 -3.968 1325 2HE MET 79 2HE MET 79 6.103 2.551 -4.824 1326 3HE MET 79 3HE MET 79 5.412 1.165 -5.677 1327 H SER 80 H SER 80 10.743 3.628 -2.970 1328 HA SER 80 HA SER 80 12.615 3.194 -0.722 1329 1HB SER 80 1HB SER 80 14.385 4.501 -1.767 1330 2HB SER 80 2HB SER 80 13.943 3.190 -2.857 1331 HG SER 80 HG SER 80 12.650 4.671 -3.995 1332 H ILE 81 H ILE 81 11.428 4.395 0.754 1333 HA ILE 81 HA ILE 81 11.100 7.292 0.202 1334 HB ILE 81 HB ILE 81 8.668 7.013 1.008 1335 1HG1 ILE 81 1HG1 ILE 81 9.365 4.143 0.307 1336 2HG1 ILE 81 2HG1 ILE 81 8.858 4.744 1.887 1337 1HG2 ILE 81 1HG2 ILE 81 9.447 7.419 -1.374 1338 2HG2 ILE 81 2HG2 ILE 81 7.892 6.600 -1.229 1339 3HG2 ILE 81 3HG2 ILE 81 9.341 5.677 -1.623 1340 1HD1 ILE 81 1HD1 ILE 81 6.880 3.840 0.951 1341 2HD1 ILE 81 2HD1 ILE 81 7.226 4.515 -0.641 1342 3HD1 ILE 81 3HD1 ILE 81 6.733 5.576 0.677 Start of MODEL 12 1 1H MET 1 1H MET 1 15.749 0.731 -15.229 2 2H MET 1 2H MET 1 15.753 1.659 -13.806 3 3H MET 1 3H MET 1 15.095 2.295 -15.237 4 HA MET 1 HA MET 1 13.655 0.018 -14.916 5 1HB MET 1 1HB MET 1 14.318 1.307 -12.248 6 2HB MET 1 2HB MET 1 13.063 0.089 -12.486 7 1HG MET 1 1HG MET 1 14.582 -1.571 -12.418 8 2HG MET 1 2HG MET 1 15.551 -0.794 -13.670 9 1HE MET 1 1HE MET 1 15.356 -0.652 -9.318 10 2HE MET 1 2HE MET 1 15.259 1.064 -9.708 11 3HE MET 1 3HE MET 1 14.130 -0.080 -10.447 12 H THR 2 H THR 2 11.381 0.593 -14.717 13 HA THR 2 HA THR 2 10.740 3.261 -15.603 14 HB THR 2 HB THR 2 8.869 1.218 -14.386 15 HG1 THR 2 HG1 THR 2 8.915 0.180 -16.359 16 1HG2 THR 2 1HG2 THR 2 8.458 3.695 -15.592 17 2HG2 THR 2 2HG2 THR 2 7.241 2.442 -15.353 18 3HG2 THR 2 3HG2 THR 2 8.122 2.536 -16.877 19 HA PRO 3 HA PRO 3 10.764 4.985 -11.502 20 1HB PRO 3 1HB PRO 3 9.974 7.502 -12.211 21 2HB PRO 3 2HB PRO 3 11.636 6.919 -12.413 22 1HG PRO 3 1HG PRO 3 9.545 7.365 -14.426 23 2HG PRO 3 2HG PRO 3 11.302 7.372 -14.599 24 1HD PRO 3 1HD PRO 3 9.530 5.300 -15.326 25 2HD PRO 3 2HD PRO 3 11.301 5.236 -15.306 26 H ILE 4 H ILE 4 9.091 5.763 -10.021 27 HA ILE 4 HA ILE 4 6.294 5.745 -11.064 28 HB ILE 4 HB ILE 4 5.750 4.199 -9.120 29 1HG1 ILE 4 1HG1 ILE 4 8.643 3.430 -9.089 30 2HG1 ILE 4 2HG1 ILE 4 8.140 4.824 -8.131 31 1HG2 ILE 4 1HG2 ILE 4 7.210 2.252 -10.340 32 2HG2 ILE 4 2HG2 ILE 4 7.269 3.515 -11.566 33 3HG2 ILE 4 3HG2 ILE 4 5.714 2.910 -11.000 34 1HD1 ILE 4 1HD1 ILE 4 8.022 2.269 -7.217 35 2HD1 ILE 4 2HD1 ILE 4 6.408 2.429 -7.908 36 3HD1 ILE 4 3HD1 ILE 4 6.946 3.549 -6.658 37 H VAL 5 H VAL 5 4.763 6.481 -9.254 38 HA VAL 5 HA VAL 5 6.089 8.148 -7.171 39 HB VAL 5 HB VAL 5 4.002 9.222 -9.085 40 1HG1 VAL 5 1HG1 VAL 5 5.864 10.410 -7.024 41 2HG1 VAL 5 2HG1 VAL 5 4.107 10.537 -7.109 42 3HG1 VAL 5 3HG1 VAL 5 5.111 11.397 -8.277 43 1HG2 VAL 5 1HG2 VAL 5 7.027 9.424 -9.235 44 2HG2 VAL 5 2HG2 VAL 5 5.909 10.361 -10.224 45 3HG2 VAL 5 3HG2 VAL 5 5.977 8.607 -10.394 46 H HIS 6 H HIS 6 4.995 7.814 -5.277 47 HA HIS 6 HA HIS 6 2.190 6.781 -5.415 48 1HB HIS 6 1HB HIS 6 4.587 6.184 -3.913 49 2HB HIS 6 2HB HIS 6 3.275 6.591 -2.808 50 HD1 HIS 6 HD1 HIS 6 2.913 4.132 -2.061 51 HD2 HIS 6 HD2 HIS 6 2.456 4.712 -6.164 52 HE1 HIS 6 HE1 HIS 6 1.855 2.019 -2.969 53 H LEU 7 H LEU 7 0.645 8.311 -4.994 54 HA LEU 7 HA LEU 7 1.353 10.573 -3.153 55 1HB LEU 7 1HB LEU 7 -0.523 10.339 -5.524 56 2HB LEU 7 2HB LEU 7 -0.462 11.754 -4.473 57 HG LEU 7 HG LEU 7 2.216 11.220 -5.126 58 1HD1 LEU 7 1HD1 LEU 7 1.692 9.804 -6.959 59 2HD1 LEU 7 2HD1 LEU 7 1.995 11.384 -7.683 60 3HD1 LEU 7 3HD1 LEU 7 0.339 10.818 -7.459 61 1HD2 LEU 7 1HD2 LEU 7 0.818 13.218 -6.787 62 2HD2 LEU 7 2HD2 LEU 7 2.150 13.435 -5.652 63 3HD2 LEU 7 3HD2 LEU 7 0.491 13.358 -5.060 64 H LYS 8 H LYS 8 -0.174 11.108 -1.528 65 HA LYS 8 HA LYS 8 -2.614 9.396 -1.312 66 1HB LYS 8 1HB LYS 8 -0.875 8.248 -0.084 67 2HB LYS 8 2HB LYS 8 -0.371 9.745 0.699 68 1HG LYS 8 1HG LYS 8 -2.452 9.885 1.922 69 2HG LYS 8 2HG LYS 8 -3.123 8.523 1.024 70 1HD LYS 8 1HD LYS 8 -1.908 6.968 2.200 71 2HD LYS 8 2HD LYS 8 -0.541 8.058 2.429 72 1HE LYS 8 1HE LYS 8 -1.299 8.607 4.490 73 2HE LYS 8 2HE LYS 8 -2.855 9.116 3.804 74 1HZ LYS 8 1HZ LYS 8 -3.236 7.259 5.253 75 2HZ LYS 8 2HZ LYS 8 -2.032 6.342 4.481 76 3HZ LYS 8 3HZ LYS 8 -3.461 6.740 3.654 77 H GLY 9 H GLY 9 -4.054 10.250 0.505 78 1HA GLY 9 1HA GLY 9 -3.960 12.512 1.975 79 2HA GLY 9 2HA GLY 9 -4.129 13.195 0.357 80 H ASP 10 H ASP 10 -6.219 14.018 1.354 81 HA ASP 10 HA ASP 10 -8.361 12.246 2.066 82 1HB ASP 10 1HB ASP 10 -7.826 14.980 1.958 83 2HB ASP 10 2HB ASP 10 -9.134 14.764 0.796 84 H ALA 11 H ALA 11 -9.684 11.034 0.765 85 HA ALA 11 HA ALA 11 -9.241 10.476 -1.937 86 1HB ALA 11 1HB ALA 11 -10.954 9.062 -1.507 87 2HB ALA 11 2HB ALA 11 -11.035 9.796 0.095 88 3HB ALA 11 3HB ALA 11 -12.063 10.400 -1.204 89 H ASN 12 H ASN 12 -11.372 12.982 -0.555 90 HA ASN 12 HA ASN 12 -12.549 13.828 -3.034 91 1HB ASN 12 1HB ASN 12 -12.033 15.189 -0.375 92 2HB ASN 12 2HB ASN 12 -13.046 15.881 -1.642 93 1HD2 ASN 12 1HD2 ASN 12 -14.599 15.550 0.418 94 2HD2 ASN 12 2HD2 ASN 12 -15.476 14.097 0.413 95 H THR 13 H THR 13 -9.760 15.112 -1.185 96 HA THR 13 HA THR 13 -9.105 17.269 -2.904 97 HB THR 13 HB THR 13 -7.524 15.449 -1.078 98 HG1 THR 13 HG1 THR 13 -8.319 18.167 -0.914 99 1HG2 THR 13 1HG2 THR 13 -5.692 16.165 -2.224 100 2HG2 THR 13 2HG2 THR 13 -5.961 17.667 -1.340 101 3HG2 THR 13 3HG2 THR 13 -6.568 17.492 -2.987 102 H LEU 14 H LEU 14 -8.502 13.820 -3.240 103 HA LEU 14 HA LEU 14 -6.506 14.085 -5.354 104 1HB LEU 14 1HB LEU 14 -8.264 11.771 -4.478 105 2HB LEU 14 2HB LEU 14 -6.805 11.640 -5.460 106 HG LEU 14 HG LEU 14 -6.942 12.698 -2.621 107 1HD1 LEU 14 1HD1 LEU 14 -5.254 10.586 -2.554 108 2HD1 LEU 14 2HD1 LEU 14 -6.339 10.056 -3.838 109 3HD1 LEU 14 3HD1 LEU 14 -6.983 10.439 -2.242 110 1HD2 LEU 14 1HD2 LEU 14 -5.037 13.116 -4.719 111 2HD2 LEU 14 2HD2 LEU 14 -4.298 12.078 -3.500 112 3HD2 LEU 14 3HD2 LEU 14 -4.947 13.652 -3.041 113 H LYS 15 H LYS 15 -10.010 13.859 -5.195 114 HA LYS 15 HA LYS 15 -10.591 13.006 -7.841 115 1HB LYS 15 1HB LYS 15 -12.132 13.299 -5.856 116 2HB LYS 15 2HB LYS 15 -12.094 15.036 -6.162 117 1HG LYS 15 1HG LYS 15 -12.767 14.368 -8.597 118 2HG LYS 15 2HG LYS 15 -13.268 12.847 -7.859 119 1HD LYS 15 1HD LYS 15 -14.156 15.482 -6.698 120 2HD LYS 15 2HD LYS 15 -15.028 14.749 -8.046 121 1HE LYS 15 1HE LYS 15 -15.585 12.810 -6.767 122 2HE LYS 15 2HE LYS 15 -14.410 13.218 -5.502 123 1HZ LYS 15 1HZ LYS 15 -16.281 15.329 -6.100 124 2HZ LYS 15 2HZ LYS 15 -15.782 14.717 -4.596 125 3HZ LYS 15 3HZ LYS 15 -17.017 13.939 -5.466 126 H CYS 16 H CYS 16 -9.906 16.266 -6.562 127 HA CYS 16 HA CYS 16 -10.444 17.662 -9.035 128 1HB CYS 16 1HB CYS 16 -10.116 18.354 -6.463 129 2HB CYS 16 2HB CYS 16 -8.477 18.674 -7.030 130 HG CYS 16 HG CYS 16 -9.426 20.391 -8.733 131 H LEU 17 H LEU 17 -7.549 16.171 -7.634 132 HA LEU 17 HA LEU 17 -5.570 17.268 -9.348 133 1HB LEU 17 1HB LEU 17 -5.966 14.907 -7.605 134 2HB LEU 17 2HB LEU 17 -4.702 14.731 -8.824 135 HG LEU 17 HG LEU 17 -3.794 16.970 -8.055 136 1HD1 LEU 17 1HD1 LEU 17 -4.720 18.101 -6.297 137 2HD1 LEU 17 2HD1 LEU 17 -5.184 16.621 -5.459 138 3HD1 LEU 17 3HD1 LEU 17 -6.177 17.234 -6.781 139 1HD2 LEU 17 1HD2 LEU 17 -3.763 14.394 -6.623 140 2HD2 LEU 17 2HD2 LEU 17 -3.261 15.768 -5.638 141 3HD2 LEU 17 3HD2 LEU 17 -2.416 15.407 -7.143 142 H ARG 18 H ARG 18 -7.375 14.188 -9.717 143 HA ARG 18 HA ARG 18 -6.346 13.257 -12.125 144 1HB ARG 18 1HB ARG 18 -8.088 12.191 -10.700 145 2HB ARG 18 2HB ARG 18 -9.260 13.376 -11.278 146 1HG ARG 18 1HG ARG 18 -9.114 12.557 -13.526 147 2HG ARG 18 2HG ARG 18 -7.709 11.561 -13.138 148 1HD ARG 18 1HD ARG 18 -9.169 9.863 -12.753 149 2HD ARG 18 2HD ARG 18 -9.687 10.753 -11.307 150 HE ARG 18 HE ARG 18 -11.202 10.546 -13.753 151 1HH1 ARG 18 1HH1 ARG 18 -11.507 11.631 -10.698 152 2HH1 ARG 18 2HH1 ARG 18 -12.358 13.094 -11.062 153 1HH2 ARG 18 1HH2 ARG 18 -11.770 12.901 -14.474 154 2HH2 ARG 18 2HH2 ARG 18 -12.510 13.814 -13.200 155 H TYR 19 H TYR 19 -8.553 15.971 -11.629 156 HA TYR 19 HA TYR 19 -9.359 16.360 -14.352 157 1HB TYR 19 1HB TYR 19 -10.449 17.337 -12.369 158 2HB TYR 19 2HB TYR 19 -9.005 18.294 -12.039 159 HD1 TYR 19 HD1 TYR 19 -11.995 17.954 -14.116 160 HD2 TYR 19 HD2 TYR 19 -8.316 20.109 -13.585 161 HE1 TYR 19 HE1 TYR 19 -12.809 19.724 -15.653 162 HE2 TYR 19 HE2 TYR 19 -9.130 21.879 -15.122 163 HH TYR 19 HH TYR 19 -10.856 21.964 -17.073 164 H ARG 20 H ARG 20 -6.510 17.416 -12.526 165 HA ARG 20 HA ARG 20 -5.559 19.277 -14.546 166 1HB ARG 20 1HB ARG 20 -4.551 17.971 -12.039 167 2HB ARG 20 2HB ARG 20 -3.401 18.814 -13.077 168 1HG ARG 20 1HG ARG 20 -4.980 20.803 -13.024 169 2HG ARG 20 2HG ARG 20 -5.874 19.958 -11.758 170 1HD ARG 20 1HD ARG 20 -4.415 21.080 -10.374 171 2HD ARG 20 2HD ARG 20 -3.318 19.750 -10.800 172 HE ARG 20 HE ARG 20 -2.478 21.207 -12.667 173 1HH1 ARG 20 1HH1 ARG 20 -3.213 22.397 -9.610 174 2HH1 ARG 20 2HH1 ARG 20 -3.054 24.070 -10.030 175 1HH2 ARG 20 1HH2 ARG 20 -2.725 23.458 -13.427 176 2HH2 ARG 20 2HH2 ARG 20 -2.779 24.671 -12.192 177 H PHE 21 H PHE 21 -5.108 15.831 -13.910 178 HA PHE 21 HA PHE 21 -2.805 15.414 -15.581 179 1HB PHE 21 1HB PHE 21 -5.098 13.551 -14.879 180 2HB PHE 21 2HB PHE 21 -3.479 13.065 -15.381 181 HD1 PHE 21 HD1 PHE 21 -2.434 15.689 -13.709 182 HD2 PHE 21 HD2 PHE 21 -4.632 12.104 -12.825 183 HE1 PHE 21 HE1 PHE 21 -1.669 15.800 -11.351 184 HE2 PHE 21 HE2 PHE 21 -3.868 12.216 -10.467 185 HZ PHE 21 HZ PHE 21 -2.387 14.064 -9.730 186 H LYS 22 H LYS 22 -6.178 15.906 -16.298 187 HA LYS 22 HA LYS 22 -6.360 14.589 -18.829 188 1HB LYS 22 1HB LYS 22 -7.712 17.023 -17.625 189 2HB LYS 22 2HB LYS 22 -8.249 16.252 -19.119 190 1HG LYS 22 1HG LYS 22 -8.006 14.862 -16.434 191 2HG LYS 22 2HG LYS 22 -9.516 15.424 -17.152 192 1HD LYS 22 1HD LYS 22 -8.962 13.979 -19.168 193 2HD LYS 22 2HD LYS 22 -7.661 13.278 -18.205 194 1HE LYS 22 1HE LYS 22 -9.485 11.800 -17.843 195 2HE LYS 22 2HE LYS 22 -9.528 12.860 -16.420 196 1HZ LYS 22 1HZ LYS 22 -11.258 12.863 -18.789 197 2HZ LYS 22 2HZ LYS 22 -10.922 14.351 -18.042 198 3HZ LYS 22 3HZ LYS 22 -11.664 13.103 -17.159 199 H LYS 23 H LYS 23 -5.215 17.836 -17.928 200 HA LYS 23 HA LYS 23 -4.929 18.768 -20.669 201 1HB LYS 23 1HB LYS 23 -3.791 19.681 -18.007 202 2HB LYS 23 2HB LYS 23 -3.697 20.612 -19.502 203 1HG LYS 23 1HG LYS 23 -6.310 19.650 -18.314 204 2HG LYS 23 2HG LYS 23 -5.625 21.241 -17.982 205 1HD LYS 23 1HD LYS 23 -5.539 21.608 -20.494 206 2HD LYS 23 2HD LYS 23 -6.499 20.137 -20.661 207 1HE LYS 23 1HE LYS 23 -8.180 21.205 -19.050 208 2HE LYS 23 2HE LYS 23 -7.292 22.722 -19.295 209 1HZ LYS 23 1HZ LYS 23 -7.977 22.887 -21.412 210 2HZ LYS 23 2HZ LYS 23 -9.222 21.834 -20.938 211 3HZ LYS 23 3HZ LYS 23 -7.836 21.223 -21.708 212 H HIS 24 H HIS 24 -2.693 17.416 -18.235 213 HA HIS 24 HA HIS 24 -0.461 17.507 -20.193 214 1HB HIS 24 1HB HIS 24 -0.449 16.444 -17.362 215 2HB HIS 24 2HB HIS 24 0.900 17.115 -18.276 216 HD1 HIS 24 HD1 HIS 24 -0.172 19.732 -19.285 217 HD2 HIS 24 HD2 HIS 24 -1.000 18.353 -15.439 218 HE1 HIS 24 HE1 HIS 24 -0.790 21.767 -17.911 219 H CYS 25 H CYS 25 -2.695 15.676 -20.713 220 HA CYS 25 HA CYS 25 -2.250 13.005 -19.883 221 1HB CYS 25 1HB CYS 25 -3.564 12.466 -21.880 222 2HB CYS 25 2HB CYS 25 -4.212 13.920 -21.121 223 HG CYS 25 HG CYS 25 -2.401 15.065 -23.028 224 H THR 26 H THR 26 -0.366 15.005 -21.990 225 HA THR 26 HA THR 26 0.982 12.673 -23.252 226 HB THR 26 HB THR 26 1.856 15.468 -23.739 227 HG1 THR 26 HG1 THR 26 -0.134 16.116 -23.866 228 1HG2 THR 26 1HG2 THR 26 2.669 13.614 -25.107 229 2HG2 THR 26 2HG2 THR 26 1.665 14.680 -26.089 230 3HG2 THR 26 3HG2 THR 26 1.013 13.151 -25.500 231 H LEU 27 H LEU 27 1.295 14.476 -20.438 232 HA LEU 27 HA LEU 27 4.256 14.517 -20.432 233 1HB LEU 27 1HB LEU 27 1.994 15.647 -18.861 234 2HB LEU 27 2HB LEU 27 3.502 15.374 -17.986 235 HG LEU 27 HG LEU 27 3.259 16.921 -20.584 236 1HD1 LEU 27 1HD1 LEU 27 3.185 17.702 -17.706 237 2HD1 LEU 27 2HD1 LEU 27 2.384 18.442 -19.092 238 3HD1 LEU 27 3HD1 LEU 27 4.098 18.738 -18.801 239 1HD2 LEU 27 1HD2 LEU 27 5.499 15.831 -19.037 240 2HD2 LEU 27 2HD2 LEU 27 5.646 17.564 -19.329 241 3HD2 LEU 27 3HD2 LEU 27 5.474 16.452 -20.687 242 H TYR 28 H TYR 28 1.822 12.291 -19.696 243 HA TYR 28 HA TYR 28 3.732 10.678 -18.083 244 1HB TYR 28 1HB TYR 28 2.016 10.266 -16.393 245 2HB TYR 28 2HB TYR 28 2.244 12.005 -16.563 246 HD1 TYR 28 HD1 TYR 28 0.451 13.414 -17.183 247 HD2 TYR 28 HD2 TYR 28 0.094 9.159 -17.668 248 HE1 TYR 28 HE1 TYR 28 -1.957 13.677 -17.719 249 HE2 TYR 28 HE2 TYR 28 -2.314 9.423 -18.206 250 HH TYR 28 HH TYR 28 -3.884 10.995 -18.878 251 H THR 29 H THR 29 2.437 8.394 -17.704 252 HA THR 29 HA THR 29 1.659 7.558 -20.446 253 HB THR 29 HB THR 29 2.411 6.103 -17.894 254 HG1 THR 29 HG1 THR 29 3.868 5.866 -20.222 255 1HG2 THR 29 1HG2 THR 29 1.715 5.042 -20.644 256 2HG2 THR 29 2HG2 THR 29 0.890 4.687 -19.126 257 3HG2 THR 29 3HG2 THR 29 2.527 4.091 -19.400 258 H ALA 30 H ALA 30 0.530 6.497 -17.199 259 HA ALA 30 HA ALA 30 -2.248 7.135 -17.878 260 1HB ALA 30 1HB ALA 30 -2.221 5.087 -19.006 261 2HB ALA 30 2HB ALA 30 -0.996 4.405 -17.937 262 3HB ALA 30 3HB ALA 30 -2.662 4.555 -17.383 263 H VAL 31 H VAL 31 -3.516 7.102 -16.012 264 HA VAL 31 HA VAL 31 -2.047 7.105 -13.447 265 HB VAL 31 HB VAL 31 -3.541 8.966 -14.127 266 1HG1 VAL 31 1HG1 VAL 31 -5.681 8.648 -14.839 267 2HG1 VAL 31 2HG1 VAL 31 -5.994 7.395 -13.639 268 3HG1 VAL 31 3HG1 VAL 31 -5.151 6.993 -15.135 269 1HG2 VAL 31 1HG2 VAL 31 -3.262 8.600 -11.748 270 2HG2 VAL 31 2HG2 VAL 31 -4.455 7.301 -11.761 271 3HG2 VAL 31 3HG2 VAL 31 -4.961 8.968 -12.042 272 H SER 32 H SER 32 -1.922 5.109 -12.438 273 HA SER 32 HA SER 32 -3.516 2.840 -12.928 274 1HB SER 32 1HB SER 32 -2.677 2.131 -10.695 275 2HB SER 32 2HB SER 32 -1.406 2.889 -11.650 276 HG SER 32 HG SER 32 -1.677 4.763 -10.480 277 H SER 33 H SER 33 -5.389 1.999 -11.793 278 HA SER 33 HA SER 33 -7.452 3.877 -11.220 279 1HB SER 33 1HB SER 33 -8.681 1.961 -11.148 280 2HB SER 33 2HB SER 33 -7.186 1.173 -11.640 281 HG SER 33 HG SER 33 -8.509 1.132 -9.239 282 H THR 34 H THR 34 -8.439 4.397 -9.155 283 HA THR 34 HA THR 34 -6.577 5.015 -7.048 284 HB THR 34 HB THR 34 -9.572 4.825 -6.756 285 HG1 THR 34 HG1 THR 34 -8.608 7.152 -7.813 286 1HG2 THR 34 1HG2 THR 34 -7.576 5.815 -5.138 287 2HG2 THR 34 2HG2 THR 34 -9.271 6.295 -5.061 288 3HG2 THR 34 3HG2 THR 34 -8.122 7.261 -5.987 289 H TRP 35 H TRP 35 -5.922 3.726 -5.357 290 HA TRP 35 HA TRP 35 -7.670 1.486 -4.473 291 1HB TRP 35 1HB TRP 35 -5.911 -0.122 -4.803 292 2HB TRP 35 2HB TRP 35 -6.035 0.791 -6.305 293 HD1 TRP 35 HD1 TRP 35 -4.045 2.352 -6.974 294 HE1 TRP 35 HE1 TRP 35 -1.654 2.650 -6.058 295 HE3 TRP 35 HE3 TRP 35 -4.472 -0.179 -2.558 296 HZ2 TRP 35 HZ2 TRP 35 -0.123 1.910 -3.754 297 HZ3 TRP 35 HZ3 TRP 35 -2.535 -0.368 -1.023 298 HH2 TRP 35 HH2 TRP 35 -0.364 0.671 -1.615 299 H HIS 36 H HIS 36 -6.496 0.420 -2.465 300 HA HIS 36 HA HIS 36 -4.713 2.202 -0.957 301 1HB HIS 36 1HB HIS 36 -6.920 3.301 -0.793 302 2HB HIS 36 2HB HIS 36 -7.626 1.806 -0.187 303 HD1 HIS 36 HD1 HIS 36 -7.457 1.382 2.287 304 HD2 HIS 36 HD2 HIS 36 -4.906 4.435 1.043 305 HE1 HIS 36 HE1 HIS 36 -6.464 2.387 4.390 306 H TRP 37 H TRP 37 -4.640 1.284 1.436 307 HA TRP 37 HA TRP 37 -4.062 -1.576 1.228 308 1HB TRP 37 1HB TRP 37 -4.062 0.349 3.578 309 2HB TRP 37 2HB TRP 37 -3.316 -1.251 3.565 310 HD1 TRP 37 HD1 TRP 37 -2.503 2.255 2.979 311 HE1 TRP 37 HE1 TRP 37 -0.281 2.497 1.692 312 HE3 TRP 37 HE3 TRP 37 -1.880 -2.555 1.381 313 HZ2 TRP 37 HZ2 TRP 37 1.523 0.864 0.184 314 HZ3 TRP 37 HZ3 TRP 37 0.096 -3.186 0.024 315 HH2 TRP 37 HH2 TRP 37 1.797 -1.483 -0.576 316 H THR 38 H THR 38 -5.541 -3.160 1.596 317 HA THR 38 HA THR 38 -7.449 -3.061 3.781 318 HB THR 38 HB THR 38 -8.242 -2.373 0.957 319 HG1 THR 38 HG1 THR 38 -9.593 -1.319 3.077 320 1HG2 THR 38 1HG2 THR 38 -9.751 -4.135 1.280 321 2HG2 THR 38 2HG2 THR 38 -10.652 -2.748 1.890 322 3HG2 THR 38 3HG2 THR 38 -9.862 -3.851 3.017 323 H GLY 39 H GLY 39 -8.720 -5.089 3.867 324 1HA GLY 39 1HA GLY 39 -7.744 -7.197 1.988 325 2HA GLY 39 2HA GLY 39 -7.738 -7.480 3.729 326 H HIS 40 H HIS 40 -9.408 -8.791 4.262 327 HA HIS 40 HA HIS 40 -11.898 -8.762 2.660 328 1HB HIS 40 1HB HIS 40 -10.938 -10.899 3.211 329 2HB HIS 40 2HB HIS 40 -10.781 -10.454 4.911 330 HD1 HIS 40 HD1 HIS 40 -12.801 -10.793 6.407 331 HD2 HIS 40 HD2 HIS 40 -13.702 -11.324 2.372 332 HE1 HIS 40 HE1 HIS 40 -15.160 -11.710 6.314 333 H ASN 41 H ASN 41 -10.825 -8.127 6.000 334 HA ASN 41 HA ASN 41 -13.392 -6.650 6.448 335 1HB ASN 41 1HB ASN 41 -13.431 -8.940 7.430 336 2HB ASN 41 2HB ASN 41 -11.980 -8.548 8.355 337 1HD2 ASN 41 1HD2 ASN 41 -14.853 -6.476 7.719 338 2HD2 ASN 41 2HD2 ASN 41 -15.257 -6.273 9.355 339 H VAL 42 H VAL 42 -11.553 -4.969 5.802 340 HA VAL 42 HA VAL 42 -10.151 -4.123 8.321 341 HB VAL 42 HB VAL 42 -9.373 -3.679 5.419 342 1HG1 VAL 42 1HG1 VAL 42 -7.175 -3.053 6.482 343 2HG1 VAL 42 2HG1 VAL 42 -7.978 -3.117 8.050 344 3HG1 VAL 42 3HG1 VAL 42 -8.489 -1.935 6.846 345 1HG2 VAL 42 1HG2 VAL 42 -8.327 -5.634 7.494 346 2HG2 VAL 42 2HG2 VAL 42 -7.588 -5.348 5.919 347 3HG2 VAL 42 3HG2 VAL 42 -9.203 -6.049 6.021 348 H LYS 43 H LYS 43 -9.722 -1.656 8.259 349 HA LYS 43 HA LYS 43 -12.263 -0.298 7.538 350 1HB LYS 43 1HB LYS 43 -9.859 0.785 9.028 351 2HB LYS 43 2HB LYS 43 -11.532 1.336 9.130 352 1HG LYS 43 1HG LYS 43 -12.208 -0.716 10.220 353 2HG LYS 43 2HG LYS 43 -10.617 -1.431 9.960 354 1HD LYS 43 1HD LYS 43 -10.958 -0.539 12.289 355 2HD LYS 43 2HD LYS 43 -9.582 0.175 11.447 356 1HE LYS 43 1HE LYS 43 -10.950 2.142 10.847 357 2HE LYS 43 2HE LYS 43 -12.343 1.427 11.682 358 1HZ LYS 43 1HZ LYS 43 -10.319 2.917 12.832 359 2HZ LYS 43 2HZ LYS 43 -10.017 1.316 13.311 360 3HZ LYS 43 3HZ LYS 43 -11.521 2.036 13.642 361 H HIS 44 H HIS 44 -11.813 2.132 6.836 362 HA HIS 44 HA HIS 44 -9.805 2.063 4.607 363 1HB HIS 44 1HB HIS 44 -12.071 2.105 3.791 364 2HB HIS 44 2HB HIS 44 -12.519 3.371 4.933 365 HD1 HIS 44 HD1 HIS 44 -10.695 2.803 1.701 366 HD2 HIS 44 HD2 HIS 44 -11.667 5.994 4.202 367 HE1 HIS 44 HE1 HIS 44 -10.176 4.915 0.404 368 H LYS 45 H LYS 45 -8.292 3.722 4.572 369 HA LYS 45 HA LYS 45 -8.530 5.801 6.716 370 1HB LYS 45 1HB LYS 45 -6.617 3.980 6.408 371 2HB LYS 45 2HB LYS 45 -5.992 5.162 5.257 372 1HG LYS 45 1HG LYS 45 -5.528 6.712 6.887 373 2HG LYS 45 2HG LYS 45 -6.881 6.208 7.899 374 1HD LYS 45 1HD LYS 45 -4.712 5.612 8.932 375 2HD LYS 45 2HD LYS 45 -5.657 4.174 8.546 376 1HE LYS 45 1HE LYS 45 -4.171 4.709 6.213 377 2HE LYS 45 2HE LYS 45 -3.036 4.928 7.561 378 1HZ LYS 45 1HZ LYS 45 -3.259 2.580 6.847 379 2HZ LYS 45 2HZ LYS 45 -4.897 2.627 7.298 380 3HZ LYS 45 3HZ LYS 45 -3.684 2.827 8.471 381 H SER 46 H SER 46 -6.728 5.628 3.625 382 HA SER 46 HA SER 46 -8.192 7.984 2.593 383 1HB SER 46 1HB SER 46 -5.653 8.894 2.301 384 2HB SER 46 2HB SER 46 -6.656 9.285 3.695 385 HG SER 46 HG SER 46 -5.581 7.847 4.889 386 H ALA 47 H ALA 47 -8.683 7.034 0.623 387 HA ALA 47 HA ALA 47 -7.439 5.098 -0.867 388 1HB ALA 47 1HB ALA 47 -8.898 5.823 -2.465 389 2HB ALA 47 2HB ALA 47 -9.422 6.970 -1.231 390 3HB ALA 47 3HB ALA 47 -8.241 7.459 -2.446 391 H ILE 48 H ILE 48 -5.870 5.167 -2.641 392 HA ILE 48 HA ILE 48 -4.025 7.517 -2.627 393 HB ILE 48 HB ILE 48 -3.243 4.606 -2.272 394 1HG1 ILE 48 1HG1 ILE 48 -3.102 6.882 -0.271 395 2HG1 ILE 48 2HG1 ILE 48 -4.395 5.680 -0.292 396 1HG2 ILE 48 1HG2 ILE 48 -1.755 6.652 -3.343 397 2HG2 ILE 48 2HG2 ILE 48 -1.078 5.250 -2.513 398 3HG2 ILE 48 3HG2 ILE 48 -1.335 6.756 -1.633 399 1HD1 ILE 48 1HD1 ILE 48 -1.447 5.233 0.217 400 2HD1 ILE 48 2HD1 ILE 48 -2.547 3.910 -0.173 401 3HD1 ILE 48 3HD1 ILE 48 -2.802 4.869 1.286 402 H VAL 49 H VAL 49 -3.004 7.844 -4.630 403 HA VAL 49 HA VAL 49 -3.806 5.964 -6.827 404 HB VAL 49 HB VAL 49 -3.260 8.950 -6.822 405 1HG1 VAL 49 1HG1 VAL 49 -4.280 8.766 -9.145 406 2HG1 VAL 49 2HG1 VAL 49 -4.080 7.020 -9.005 407 3HG1 VAL 49 3HG1 VAL 49 -2.667 8.073 -8.977 408 1HG2 VAL 49 1HG2 VAL 49 -5.822 7.339 -7.045 409 2HG2 VAL 49 2HG2 VAL 49 -5.712 9.083 -7.287 410 3HG2 VAL 49 3HG2 VAL 49 -5.360 8.389 -5.704 411 H THR 50 H THR 50 -2.217 6.055 -8.717 412 HA THR 50 HA THR 50 0.585 6.673 -7.920 413 HB THR 50 HB THR 50 -0.568 3.981 -8.698 414 HG1 THR 50 HG1 THR 50 0.641 3.444 -6.752 415 1HG2 THR 50 1HG2 THR 50 1.380 3.998 -9.987 416 2HG2 THR 50 2HG2 THR 50 1.955 3.324 -8.462 417 3HG2 THR 50 3HG2 THR 50 2.246 5.022 -8.843 418 H LEU 51 H LEU 51 1.976 6.936 -9.790 419 HA LEU 51 HA LEU 51 0.594 6.814 -12.444 420 1HB LEU 51 1HB LEU 51 2.066 9.085 -11.098 421 2HB LEU 51 2HB LEU 51 1.838 9.041 -12.846 422 HG LEU 51 HG LEU 51 -0.678 8.427 -11.722 423 1HD1 LEU 51 1HD1 LEU 51 -0.998 9.744 -9.905 424 2HD1 LEU 51 2HD1 LEU 51 -0.087 11.079 -10.610 425 3HD1 LEU 51 3HD1 LEU 51 0.761 9.772 -9.783 426 1HD2 LEU 51 1HD2 LEU 51 0.562 10.783 -13.133 427 2HD2 LEU 51 2HD2 LEU 51 -1.120 10.845 -12.606 428 3HD2 LEU 51 3HD2 LEU 51 -0.601 9.611 -13.753 429 H THR 52 H THR 52 1.856 5.766 -13.926 430 HA THR 52 HA THR 52 4.695 5.198 -13.239 431 HB THR 52 HB THR 52 3.756 3.956 -15.656 432 HG1 THR 52 HG1 THR 52 1.717 3.834 -15.201 433 1HG2 THR 52 1HG2 THR 52 4.120 2.817 -12.874 434 2HG2 THR 52 2HG2 THR 52 5.432 3.091 -14.019 435 3HG2 THR 52 3HG2 THR 52 4.166 1.921 -14.392 436 H TYR 53 H TYR 53 6.366 6.110 -14.399 437 HA TYR 53 HA TYR 53 5.633 7.838 -16.738 438 1HB TYR 53 1HB TYR 53 7.820 7.930 -14.644 439 2HB TYR 53 2HB TYR 53 7.820 8.973 -16.065 440 HD1 TYR 53 HD1 TYR 53 5.671 7.935 -13.176 441 HD2 TYR 53 HD2 TYR 53 6.614 10.988 -16.049 442 HE1 TYR 53 HE1 TYR 53 4.107 9.489 -12.038 443 HE2 TYR 53 HE2 TYR 53 5.050 12.542 -14.910 444 HH TYR 53 HH TYR 53 2.801 12.019 -13.283 445 H ASP 54 H ASP 54 6.906 7.642 -18.643 446 HA ASP 54 HA ASP 54 8.352 5.070 -18.910 447 1HB ASP 54 1HB ASP 54 6.982 7.065 -20.633 448 2HB ASP 54 2HB ASP 54 8.331 6.202 -21.373 449 H SER 55 H SER 55 9.195 8.237 -18.134 450 HA SER 55 HA SER 55 12.029 7.706 -18.762 451 1HB SER 55 1HB SER 55 12.224 9.727 -20.155 452 2HB SER 55 2HB SER 55 11.035 8.626 -20.846 453 HG SER 55 HG SER 55 9.549 9.966 -19.381 454 H GLU 56 H GLU 56 13.066 8.345 -16.924 455 HA GLU 56 HA GLU 56 12.038 9.723 -14.742 456 1HB GLU 56 1HB GLU 56 14.604 8.932 -15.812 457 2HB GLU 56 2HB GLU 56 14.748 10.495 -15.006 458 1HG GLU 56 1HG GLU 56 13.434 9.436 -13.071 459 2HG GLU 56 2HG GLU 56 13.755 7.887 -13.849 460 H TRP 57 H TRP 57 13.651 11.140 -17.595 461 HA TRP 57 HA TRP 57 13.759 13.840 -16.803 462 1HB TRP 57 1HB TRP 57 14.735 12.888 -18.856 463 2HB TRP 57 2HB TRP 57 13.119 12.603 -19.503 464 HD1 TRP 57 HD1 TRP 57 12.833 14.314 -21.374 465 HE1 TRP 57 HE1 TRP 57 13.096 16.870 -21.577 466 HE3 TRP 57 HE3 TRP 57 14.851 15.358 -16.799 467 HZ2 TRP 57 HZ2 TRP 57 14.038 19.067 -20.005 468 HZ3 TRP 57 HZ3 TRP 57 15.420 17.689 -16.178 469 HH2 TRP 57 HH2 TRP 57 15.017 19.543 -17.775 470 H GLN 58 H GLN 58 11.125 12.282 -18.679 471 HA GLN 58 HA GLN 58 9.329 14.479 -18.647 472 1HB GLN 58 1HB GLN 58 9.317 12.288 -19.977 473 2HB GLN 58 2HB GLN 58 8.584 11.548 -18.552 474 1HG GLN 58 1HG GLN 58 6.950 13.642 -18.740 475 2HG GLN 58 2HG GLN 58 7.446 13.574 -20.433 476 1HE2 GLN 58 1HE2 GLN 58 5.858 12.449 -21.568 477 2HE2 GLN 58 2HE2 GLN 58 5.122 11.013 -21.044 478 H ARG 59 H ARG 59 9.958 11.987 -16.222 479 HA ARG 59 HA ARG 59 7.647 12.285 -14.595 480 1HB ARG 59 1HB ARG 59 9.339 10.506 -14.406 481 2HB ARG 59 2HB ARG 59 10.537 11.690 -13.884 482 1HG ARG 59 1HG ARG 59 8.161 11.927 -12.262 483 2HG ARG 59 2HG ARG 59 8.728 10.257 -12.252 484 1HD ARG 59 1HD ARG 59 10.947 12.147 -12.022 485 2HD ARG 59 2HD ARG 59 9.776 12.325 -10.701 486 HE ARG 59 HE ARG 59 10.604 9.567 -11.420 487 1HH1 ARG 59 1HH2 ARG 59 11.884 12.153 -9.711 488 2HH1 ARG 59 2HH2 ARG 59 12.000 11.324 -8.194 489 1HH2 ARG 59 1HH1 ARG 59 10.257 8.533 -9.281 490 2HH2 ARG 59 2HH1 ARG 59 11.081 9.277 -7.951 491 H ASP 60 H ASP 60 10.841 13.872 -14.170 492 HA ASP 60 HA ASP 60 10.080 15.553 -12.005 493 1HB ASP 60 1HB ASP 60 12.383 15.124 -12.596 494 2HB ASP 60 2HB ASP 60 12.149 15.806 -14.205 495 H GLN 61 H GLN 61 9.715 15.984 -15.502 496 HA GLN 61 HA GLN 61 9.131 18.792 -15.488 497 1HB GLN 61 1HB GLN 61 8.547 16.443 -17.286 498 2HB GLN 61 2HB GLN 61 7.939 18.051 -17.683 499 1HG GLN 61 1HG GLN 61 10.186 18.964 -17.689 500 2HG GLN 61 2HG GLN 61 10.851 17.437 -17.105 501 1HE2 GLN 61 1HE2 GLN 61 11.578 16.027 -18.707 502 2HE2 GLN 61 2HE2 GLN 61 11.126 16.098 -20.341 503 H PHE 62 H PHE 62 6.964 15.947 -15.395 504 HA PHE 62 HA PHE 62 4.481 17.285 -15.408 505 1HB PHE 62 1HB PHE 62 4.627 14.914 -15.674 506 2HB PHE 62 2HB PHE 62 5.483 14.726 -14.144 507 HD1 PHE 62 HD1 PHE 62 2.214 15.369 -15.728 508 HD2 PHE 62 HD2 PHE 62 4.306 14.827 -12.011 509 HE1 PHE 62 HE1 PHE 62 0.050 15.088 -14.549 510 HE2 PHE 62 HE2 PHE 62 2.140 14.547 -10.835 511 HZ PHE 62 HZ PHE 62 0.012 14.678 -12.104 512 H LEU 63 H LEU 63 5.951 15.901 -12.448 513 HA LEU 63 HA LEU 63 4.317 17.325 -10.616 514 1HB LEU 63 1HB LEU 63 5.972 16.573 -8.987 515 2HB LEU 63 2HB LEU 63 5.740 15.309 -10.196 516 HG LEU 63 HG LEU 63 7.728 16.573 -11.416 517 1HD1 LEU 63 1HD1 LEU 63 8.795 18.133 -10.192 518 2HD1 LEU 63 2HD1 LEU 63 8.995 16.995 -8.859 519 3HD1 LEU 63 3HD1 LEU 63 7.537 17.982 -8.966 520 1HD2 LEU 63 1HD2 LEU 63 9.207 15.158 -9.585 521 2HD2 LEU 63 2HD2 LEU 63 8.362 14.435 -10.953 522 3HD2 LEU 63 3HD2 LEU 63 7.604 14.457 -9.360 523 H SER 64 H SER 64 6.880 18.517 -12.572 524 HA SER 64 HA SER 64 7.592 20.720 -10.734 525 1HB SER 64 1HB SER 64 9.374 19.822 -12.028 526 2HB SER 64 2HB SER 64 8.400 19.791 -13.495 527 HG SER 64 HG SER 64 8.795 22.244 -12.218 528 H GLN 65 H GLN 65 5.452 20.100 -13.411 529 HA GLN 65 HA GLN 65 4.929 22.998 -13.833 530 1HB GLN 65 1HB GLN 65 3.767 20.574 -15.238 531 2HB GLN 65 2HB GLN 65 3.811 22.234 -15.831 532 1HG GLN 65 1HG GLN 65 6.468 21.237 -15.122 533 2HG GLN 65 2HG GLN 65 5.698 20.267 -16.377 534 1HE2 GLN 65 1HE2 GLN 65 6.143 21.045 -18.436 535 2HE2 GLN 65 2HE2 GLN 65 6.389 22.676 -18.834 536 H VAL 66 H VAL 66 3.232 19.980 -12.970 537 HA VAL 66 HA VAL 66 0.849 21.561 -12.138 538 HB VAL 66 HB VAL 66 0.330 19.699 -13.520 539 1HG1 VAL 66 1HG1 VAL 66 2.187 18.331 -13.675 540 2HG1 VAL 66 2HG1 VAL 66 1.206 17.357 -12.582 541 3HG1 VAL 66 3HG1 VAL 66 2.493 18.375 -11.939 542 1HG2 VAL 66 1HG2 VAL 66 -0.540 19.800 -10.865 543 2HG2 VAL 66 2HG2 VAL 66 -0.129 18.105 -11.125 544 3HG2 VAL 66 3HG2 VAL 66 -1.300 18.900 -12.176 545 H LYS 67 H LYS 67 1.663 22.450 -10.171 546 HA LYS 67 HA LYS 67 2.998 20.954 -8.120 547 1HB LYS 67 1HB LYS 67 2.399 22.936 -6.756 548 2HB LYS 67 2HB LYS 67 2.986 23.413 -8.349 549 1HG LYS 67 1HG LYS 67 0.589 23.532 -9.117 550 2HG LYS 67 2HG LYS 67 0.098 23.263 -7.444 551 1HD LYS 67 1HD LYS 67 1.463 25.272 -6.791 552 2HD LYS 67 2HD LYS 67 1.736 25.581 -8.505 553 1HE LYS 67 1HE LYS 67 -0.150 26.934 -7.958 554 2HE LYS 67 2HE LYS 67 -0.862 25.495 -8.715 555 1HZ LYS 67 1HZ LYS 67 -0.407 25.832 -5.797 556 2HZ LYS 67 2HZ LYS 67 -1.152 24.505 -6.554 557 3HZ LYS 67 3HZ LYS 67 -1.905 26.028 -6.568 558 H ILE 68 H ILE 68 1.762 21.019 -5.802 559 HA ILE 68 HA ILE 68 -1.038 20.069 -6.041 560 HB ILE 68 HB ILE 68 0.583 18.227 -4.453 561 1HG1 ILE 68 1HG1 ILE 68 1.204 18.451 -7.419 562 2HG1 ILE 68 2HG1 ILE 68 2.332 18.803 -6.108 563 1HG2 ILE 68 1HG2 ILE 68 -0.553 16.894 -6.630 564 2HG2 ILE 68 2HG2 ILE 68 -1.648 18.243 -6.324 565 3HG2 ILE 68 3HG2 ILE 68 -1.278 17.096 -5.035 566 1HD1 ILE 68 1HD1 ILE 68 2.903 16.601 -6.594 567 2HD1 ILE 68 2HD1 ILE 68 1.249 16.158 -7.016 568 3HD1 ILE 68 3HD1 ILE 68 1.702 16.361 -5.324 569 HA PRO 69 HA PRO 69 -1.497 22.165 -2.226 570 1HB PRO 69 1HB PRO 69 -2.984 20.415 -0.741 571 2HB PRO 69 2HB PRO 69 -3.675 21.423 -2.029 572 1HG PRO 69 1HG PRO 69 -2.894 18.554 -2.085 573 2HG PRO 69 2HG PRO 69 -4.287 19.362 -2.822 574 1HD PRO 69 1HD PRO 69 -2.068 18.642 -4.216 575 2HD PRO 69 2HD PRO 69 -3.101 20.012 -4.667 576 H LYS 70 H LYS 70 -1.254 21.503 0.297 577 HA LYS 70 HA LYS 70 1.360 20.097 0.463 578 1HB LYS 70 1HB LYS 70 1.403 21.222 2.693 579 2HB LYS 70 2HB LYS 70 1.131 22.359 1.372 580 1HG LYS 70 1HG LYS 70 -1.372 21.239 2.363 581 2HG LYS 70 2HG LYS 70 -0.471 22.061 3.638 582 1HD LYS 70 1HD LYS 70 -0.480 24.115 2.497 583 2HD LYS 70 2HD LYS 70 -0.817 23.355 0.941 584 1HE LYS 70 1HE LYS 70 -3.067 22.617 2.006 585 2HE LYS 70 2HE LYS 70 -2.719 23.848 3.236 586 1HZ LYS 70 1HZ LYS 70 -3.957 24.638 1.189 587 2HZ LYS 70 2HZ LYS 70 -2.507 24.406 0.335 588 3HZ LYS 70 3HZ LYS 70 -2.572 25.521 1.615 589 H THR 71 H THR 71 -1.883 19.308 0.853 590 HA THR 71 HA THR 71 -1.579 17.595 3.231 591 HB THR 71 HB THR 71 -3.955 16.918 2.150 592 HG1 THR 71 HG1 THR 71 -4.688 18.418 0.798 593 1HG2 THR 71 1HG2 THR 71 -4.579 19.384 3.198 594 2HG2 THR 71 2HG2 THR 71 -2.999 19.067 3.912 595 3HG2 THR 71 3HG2 THR 71 -4.318 17.921 4.148 596 H ILE 72 H ILE 72 -1.291 17.322 -0.226 597 HA ILE 72 HA ILE 72 -1.394 14.352 -0.164 598 HB ILE 72 HB ILE 72 -2.528 15.619 -1.944 599 1HG1 ILE 72 1HG1 ILE 72 -1.045 14.656 -3.919 600 2HG1 ILE 72 2HG1 ILE 72 -0.162 13.892 -2.597 601 1HG2 ILE 72 1HG2 ILE 72 -0.177 16.513 -3.375 602 2HG2 ILE 72 2HG2 ILE 72 -0.220 17.234 -1.766 603 3HG2 ILE 72 3HG2 ILE 72 -1.584 17.446 -2.864 604 1HD1 ILE 72 1HD1 ILE 72 -2.761 13.205 -3.705 605 2HD1 ILE 72 2HD1 ILE 72 -2.859 13.487 -1.967 606 3HD1 ILE 72 3HD1 ILE 72 -1.739 12.281 -2.603 607 H THR 73 H THR 73 0.551 13.515 0.656 608 HA THR 73 HA THR 73 3.115 14.776 -0.178 609 HB THR 73 HB THR 73 2.519 12.513 1.759 610 HG1 THR 73 HG1 THR 73 2.384 15.288 1.968 611 1HG2 THR 73 1HG2 THR 73 4.918 13.220 0.720 612 2HG2 THR 73 2HG2 THR 73 4.723 12.591 2.356 613 3HG2 THR 73 3HG2 THR 73 4.839 14.330 2.088 614 H VAL 74 H VAL 74 4.784 13.382 -1.156 615 HA VAL 74 HA VAL 74 3.773 10.784 -2.238 616 HB VAL 74 HB VAL 74 3.230 12.490 -3.872 617 1HG1 VAL 74 1HG1 VAL 74 5.928 13.461 -3.113 618 2HG1 VAL 74 2HG1 VAL 74 4.500 14.372 -3.607 619 3HG1 VAL 74 3HG1 VAL 74 5.519 13.603 -4.823 620 1HG2 VAL 74 1HG2 VAL 74 5.663 10.814 -4.527 621 2HG2 VAL 74 2HG2 VAL 74 4.826 11.772 -5.749 622 3HG2 VAL 74 3HG2 VAL 74 3.976 10.474 -4.910 623 H SER 75 H SER 75 5.301 9.251 -2.411 624 HA SER 75 HA SER 75 8.105 9.922 -1.625 625 1HB SER 75 1HB SER 75 6.230 7.959 -0.885 626 2HB SER 75 2HB SER 75 7.425 7.105 -1.856 627 HG SER 75 HG SER 75 8.983 7.666 -0.451 628 H THR 76 H THR 76 9.670 8.148 -2.730 629 HA THR 76 HA THR 76 9.011 8.051 -5.656 630 HB THR 76 HB THR 76 11.582 8.437 -5.831 631 HG1 THR 76 HG1 THR 76 11.895 8.125 -3.560 632 1HG2 THR 76 1HG2 THR 76 11.253 10.827 -5.849 633 2HG2 THR 76 2HG2 THR 76 9.885 10.696 -4.745 634 3HG2 THR 76 3HG2 THR 76 9.750 10.080 -6.392 635 H GLY 77 H GLY 77 10.031 6.251 -6.798 636 1HA GLY 77 1HA GLY 77 11.638 4.288 -5.414 637 2HA GLY 77 2HA GLY 77 9.958 3.763 -5.519 638 H PHE 78 H PHE 78 11.422 2.085 -6.821 639 HA PHE 78 HA PHE 78 10.986 2.727 -9.693 640 1HB PHE 78 1HB PHE 78 13.599 1.879 -8.402 641 2HB PHE 78 2HB PHE 78 13.324 1.875 -10.144 642 HD1 PHE 78 HD1 PHE 78 13.981 3.920 -7.202 643 HD2 PHE 78 HD2 PHE 78 12.837 4.019 -11.343 644 HE1 PHE 78 HE1 PHE 78 14.516 6.339 -7.291 645 HE2 PHE 78 HE2 PHE 78 13.374 6.439 -11.433 646 HZ PHE 78 HZ PHE 78 14.213 7.600 -9.406 647 H MET 79 H MET 79 10.157 0.934 -10.731 648 HA MET 79 HA MET 79 10.368 -1.702 -9.310 649 1HB MET 79 1HB MET 79 8.169 -0.131 -10.487 650 2HB MET 79 2HB MET 79 8.156 -1.834 -10.946 651 1HG MET 79 1HG MET 79 8.577 -2.245 -8.388 652 2HG MET 79 2HG MET 79 7.932 -0.613 -8.211 653 1HE MET 79 1HE MET 79 5.232 -0.067 -8.404 654 2HE MET 79 2HE MET 79 6.105 0.077 -9.927 655 3HE MET 79 3HE MET 79 4.530 -0.727 -9.877 656 H SER 80 H SER 80 9.770 -3.519 -11.058 657 HA SER 80 HA SER 80 11.098 -2.931 -13.665 658 1HB SER 80 1HB SER 80 12.696 -4.650 -13.330 659 2HB SER 80 2HB SER 80 12.631 -3.833 -11.771 660 HG SER 80 HG SER 80 11.347 -6.237 -12.557 661 H ILE 81 H ILE 81 9.437 -3.465 -15.053 662 HA ILE 81 HA ILE 81 7.590 -5.680 -14.417 663 HB ILE 81 HB ILE 81 6.785 -3.546 -15.320 664 1HG1 ILE 81 1HG1 ILE 81 6.581 -5.564 -17.560 665 2HG1 ILE 81 2HG1 ILE 81 5.769 -5.817 -16.015 666 1HG2 ILE 81 1HG2 ILE 81 7.584 -3.570 -17.997 667 2HG2 ILE 81 2HG2 ILE 81 9.056 -3.947 -17.102 668 3HG2 ILE 81 3HG2 ILE 81 8.163 -2.469 -16.747 669 1HD1 ILE 81 1HD1 ILE 81 5.250 -3.741 -18.111 670 2HD1 ILE 81 2HD1 ILE 81 4.924 -3.339 -16.425 671 3HD1 ILE 81 3HD1 ILE 81 4.101 -4.702 -17.181 672 1H MET 1 1H MET 1 15.693 -0.597 1.732 673 2H MET 1 2H MET 1 15.727 -1.513 0.302 674 3H MET 1 3H MET 1 15.065 -2.172 1.720 675 HA MET 1 HA MET 1 13.596 0.092 1.397 676 1HB MET 1 1HB MET 1 14.308 -1.187 -1.264 677 2HB MET 1 2HB MET 1 13.025 0.003 -1.041 678 1HG MET 1 1HG MET 1 14.507 1.698 -1.085 679 2HG MET 1 2HG MET 1 15.480 0.937 0.174 680 1HE MET 1 1HE MET 1 15.318 0.810 -4.173 681 2HE MET 1 2HE MET 1 15.277 -0.912 -3.802 682 3HE MET 1 3HE MET 1 14.106 0.184 -3.059 683 H THR 2 H THR 2 11.323 -0.513 1.126 684 HA THR 2 HA THR 2 10.718 -3.192 2.028 685 HB THR 2 HB THR 2 8.819 -1.179 0.806 686 HG1 THR 2 HG1 THR 2 8.849 -0.122 2.756 687 1HG2 THR 2 1HG2 THR 2 8.463 -3.664 2.028 688 2HG2 THR 2 2HG2 THR 2 7.216 -2.449 1.751 689 3HG2 THR 2 3HG2 THR 2 8.074 -2.497 3.291 690 HA PRO 3 HA PRO 3 10.786 -4.906 -2.073 691 1HB PRO 3 1HB PRO 3 10.012 -7.431 -1.372 692 2HB PRO 3 2HB PRO 3 11.668 -6.834 -1.159 693 1HG PRO 3 1HG PRO 3 9.568 -7.303 0.839 694 2HG PRO 3 2HG PRO 3 11.323 -7.293 1.024 695 1HD PRO 3 1HD PRO 3 9.527 -5.239 1.741 696 2HD PRO 3 2HD PRO 3 11.299 -5.157 1.733 697 H ILE 4 H ILE 4 9.133 -5.677 -3.570 698 HA ILE 4 HA ILE 4 6.327 -5.687 -2.550 699 HB ILE 4 HB ILE 4 5.789 -4.134 -4.490 700 1HG1 ILE 4 1HG1 ILE 4 8.674 -3.339 -4.493 701 2HG1 ILE 4 2HG1 ILE 4 8.195 -4.735 -5.461 702 1HG2 ILE 4 1HG2 ILE 4 7.246 -2.192 -3.244 703 2HG2 ILE 4 2HG2 ILE 4 7.274 -3.462 -2.023 704 3HG2 ILE 4 3HG2 ILE 4 5.733 -2.842 -2.614 705 1HD1 ILE 4 1HD1 ILE 4 8.064 -2.187 -6.377 706 2HD1 ILE 4 2HD1 ILE 4 6.450 -2.345 -5.684 707 3HD1 ILE 4 3HD1 ILE 4 6.987 -3.468 -6.933 708 H VAL 5 H VAL 5 4.818 -6.441 -4.373 709 HA VAL 5 HA VAL 5 6.184 -8.095 -6.444 710 HB VAL 5 HB VAL 5 4.086 -9.195 -4.556 711 1HG1 VAL 5 1HG1 VAL 5 6.002 -10.359 -6.581 712 2HG1 VAL 5 2HG1 VAL 5 4.248 -10.527 -6.515 713 3HG1 VAL 5 3HG1 VAL 5 5.258 -11.355 -5.330 714 1HG2 VAL 5 1HG2 VAL 5 7.111 -9.349 -4.349 715 2HG2 VAL 5 2HG2 VAL 5 5.986 -10.293 -3.371 716 3HG2 VAL 5 3HG2 VAL 5 6.030 -8.536 -3.217 717 H HIS 6 H HIS 6 5.109 -7.754 -8.350 718 HA HIS 6 HA HIS 6 2.292 -6.757 -8.235 719 1HB HIS 6 1HB HIS 6 4.696 -6.133 -9.714 720 2HB HIS 6 2HB HIS 6 3.398 -6.554 -10.833 721 HD1 HIS 6 HD1 HIS 6 3.050 -4.082 -11.570 722 HD2 HIS 6 HD2 HIS 6 2.485 -4.713 -7.488 723 HE1 HIS 6 HE1 HIS 6 1.957 -1.984 -10.665 724 H LEU 7 H LEU 7 0.765 -8.293 -8.673 725 HA LEU 7 HA LEU 7 1.505 -10.550 -10.509 726 1HB LEU 7 1HB LEU 7 -0.390 -10.331 -8.150 727 2HB LEU 7 2HB LEU 7 -0.311 -11.745 -9.203 728 HG LEU 7 HG LEU 7 2.359 -11.185 -8.525 729 1HD1 LEU 7 1HD1 LEU 7 1.800 -9.783 -6.688 730 2HD1 LEU 7 2HD1 LEU 7 2.115 -11.363 -5.970 731 3HD1 LEU 7 3HD1 LEU 7 0.455 -10.817 -6.206 732 1HD2 LEU 7 1HD2 LEU 7 0.964 -13.209 -6.891 733 2HD2 LEU 7 2HD2 LEU 7 2.310 -13.402 -8.015 734 3HD2 LEU 7 3HD2 LEU 7 0.656 -13.338 -8.623 735 H LYS 8 H LYS 8 -0.008 -11.092 -12.148 736 HA LYS 8 HA LYS 8 -2.457 -9.394 -12.379 737 1HB LYS 8 1HB LYS 8 -0.718 -8.233 -13.593 738 2HB LYS 8 2HB LYS 8 -0.196 -9.727 -14.371 739 1HG LYS 8 1HG LYS 8 -2.266 -9.880 -15.613 740 2HG LYS 8 2HG LYS 8 -2.952 -8.521 -14.723 741 1HD LYS 8 1HD LYS 8 -1.733 -6.960 -15.889 742 2HD LYS 8 2HD LYS 8 -0.361 -8.046 -16.114 743 1HE LYS 8 1HE LYS 8 -1.107 -8.598 -18.177 744 2HE LYS 8 2HE LYS 8 -2.667 -9.107 -17.500 745 1HZ LYS 8 1HZ LYS 8 -3.042 -7.253 -18.952 746 2HZ LYS 8 2HZ LYS 8 -1.840 -6.335 -18.179 747 3HZ LYS 8 3HZ LYS 8 -3.274 -6.730 -17.355 748 H GLY 9 H GLY 9 -3.875 -10.254 -14.214 749 1HA GLY 9 1HA GLY 9 -3.751 -12.515 -15.683 750 2HA GLY 9 2HA GLY 9 -3.929 -13.201 -14.067 751 H ASP 10 H ASP 10 -5.995 -14.040 -15.084 752 HA ASP 10 HA ASP 10 -8.149 -12.296 -15.819 753 1HB ASP 10 1HB ASP 10 -7.578 -15.023 -15.699 754 2HB ASP 10 2HB ASP 10 -8.904 -14.821 -14.551 755 H ALA 11 H ALA 11 -9.493 -11.091 -14.529 756 HA ALA 11 HA ALA 11 -9.079 -10.534 -11.822 757 1HB ALA 11 1HB ALA 11 -10.791 -9.125 -12.273 758 2HB ALA 11 2HB ALA 11 -10.858 -9.862 -13.875 759 3HB ALA 11 3HB ALA 11 -11.893 -10.466 -12.581 760 H ASN 12 H ASN 12 -11.156 -13.062 -13.237 761 HA ASN 12 HA ASN 12 -12.373 -13.920 -10.779 762 1HB ASN 12 1HB ASN 12 -11.803 -15.257 -13.439 763 2HB ASN 12 2HB ASN 12 -12.817 -15.979 -12.190 764 1HD2 ASN 12 1HD2 ASN 12 -14.382 -15.665 -14.226 765 2HD2 ASN 12 2HD2 ASN 12 -15.271 -14.219 -14.226 766 H THR 13 H THR 13 -9.545 -15.175 -12.583 767 HA THR 13 HA THR 13 -8.891 -17.329 -10.861 768 HB THR 13 HB THR 13 -7.306 -15.480 -12.653 769 HG1 THR 13 HG1 THR 13 -8.089 -18.197 -12.849 770 1HG2 THR 13 1HG2 THR 13 -5.474 -16.197 -11.518 771 2HG2 THR 13 2HG2 THR 13 -5.747 -17.711 -12.381 772 3HG2 THR 13 3HG2 THR 13 -6.356 -17.511 -10.738 773 H LEU 14 H LEU 14 -8.311 -13.873 -10.516 774 HA LEU 14 HA LEU 14 -6.344 -14.127 -8.379 775 1HB LEU 14 1HB LEU 14 -8.112 -11.826 -9.268 776 2HB LEU 14 2HB LEU 14 -6.657 -11.687 -8.278 777 HG LEU 14 HG LEU 14 -6.770 -12.750 -11.117 778 1HD1 LEU 14 1HD1 LEU 14 -5.115 -10.621 -11.200 779 2HD1 LEU 14 2HD1 LEU 14 -6.187 -10.099 -9.900 780 3HD1 LEU 14 3HD1 LEU 14 -6.851 -10.486 -11.488 781 1HD2 LEU 14 1HD2 LEU 14 -4.875 -13.158 -9.016 782 2HD2 LEU 14 2HD2 LEU 14 -4.139 -12.087 -10.209 783 3HD2 LEU 14 3HD2 LEU 14 -4.755 -13.665 -10.701 784 H LYS 15 H LYS 15 -9.846 -13.941 -8.577 785 HA LYS 15 HA LYS 15 -10.472 -13.089 -5.938 786 1HB LYS 15 1HB LYS 15 -11.982 -13.423 -7.949 787 2HB LYS 15 2HB LYS 15 -11.927 -15.154 -7.614 788 1HG LYS 15 1HG LYS 15 -12.641 -14.471 -5.202 789 2HG LYS 15 2HG LYS 15 -13.129 -12.951 -5.950 790 1HD LYS 15 1HD LYS 15 -14.011 -15.592 -7.107 791 2HD LYS 15 2HD LYS 15 -14.897 -14.846 -5.776 792 1HE LYS 15 1HE LYS 15 -15.443 -12.921 -7.073 793 2HE LYS 15 2HE LYS 15 -14.244 -13.327 -8.317 794 1HZ LYS 15 1HZ LYS 15 -16.111 -15.448 -7.752 795 2HZ LYS 15 2HZ LYS 15 -15.597 -14.827 -9.248 796 3HZ LYS 15 3HZ LYS 15 -16.848 -14.062 -8.391 797 H CYS 16 H CYS 16 -9.738 -16.341 -7.206 798 HA CYS 16 HA CYS 16 -10.278 -17.742 -4.736 799 1HB CYS 16 1HB CYS 16 -9.901 -18.416 -7.319 800 2HB CYS 16 2HB CYS 16 -8.284 -18.756 -6.705 801 HG CYS 16 HG CYS 16 -9.277 -20.492 -5.071 802 H LEU 17 H LEU 17 -7.386 -16.222 -6.119 803 HA LEU 17 HA LEU 17 -5.414 -17.301 -4.387 804 1HB LEU 17 1HB LEU 17 -5.815 -14.931 -6.121 805 2HB LEU 17 2HB LEU 17 -4.559 -14.763 -4.893 806 HG LEU 17 HG LEU 17 -3.634 -16.987 -5.671 807 1HD1 LEU 17 1HD1 LEU 17 -4.558 -18.129 -7.420 808 2HD1 LEU 17 2HD1 LEU 17 -5.006 -16.653 -8.275 809 3HD1 LEU 17 3HD1 LEU 17 -6.017 -17.251 -6.960 810 1HD2 LEU 17 1HD2 LEU 17 -3.603 -14.404 -7.079 811 2HD2 LEU 17 2HD2 LEU 17 -3.119 -15.765 -8.092 812 3HD2 LEU 17 3HD2 LEU 17 -2.256 -15.433 -6.590 813 H ARG 18 H ARG 18 -7.265 -14.247 -4.028 814 HA ARG 18 HA ARG 18 -6.272 -13.309 -1.607 815 1HB ARG 18 1HB ARG 18 -8.022 -12.267 -3.045 816 2HB ARG 18 2HB ARG 18 -9.180 -13.466 -2.466 817 1HG ARG 18 1HG ARG 18 -9.045 -12.645 -0.218 818 2HG ARG 18 2HG ARG 18 -7.646 -11.642 -0.602 819 1HD ARG 18 1HD ARG 18 -9.121 -9.951 -0.972 820 2HD ARG 18 2HD ARG 18 -9.614 -10.828 -2.434 821 HE ARG 18 HE ARG 18 -11.159 -10.660 -0.003 822 1HH1 ARG 18 1HH1 ARG 18 -11.418 -11.718 -3.073 823 2HH1 ARG 18 2HH1 ARG 18 -12.263 -13.192 -2.734 824 1HH2 ARG 18 1HH2 ARG 18 -11.717 -13.030 0.687 825 2HH2 ARG 18 2HH2 ARG 18 -12.434 -13.934 -0.605 826 H TYR 19 H TYR 19 -8.444 -16.044 -2.136 827 HA TYR 19 HA TYR 19 -9.263 -16.459 0.579 828 1HB TYR 19 1HB TYR 19 -10.321 -17.436 -1.425 829 2HB TYR 19 2HB TYR 19 -8.866 -18.381 -1.737 830 HD1 TYR 19 HD1 TYR 19 -11.881 -18.063 0.305 831 HD2 TYR 19 HD2 TYR 19 -8.183 -20.197 -0.184 832 HE1 TYR 19 HE1 TYR 19 -12.702 -19.834 1.834 833 HE2 TYR 19 HE2 TYR 19 -9.005 -21.969 1.346 834 HH TYR 19 HH TYR 19 -10.732 -22.089 3.258 835 H ARG 20 H ARG 20 -6.390 -17.479 -1.230 836 HA ARG 20 HA ARG 20 -5.437 -19.338 0.790 837 1HB ARG 20 1HB ARG 20 -4.428 -18.016 -1.706 838 2HB ARG 20 2HB ARG 20 -3.268 -18.829 -0.655 839 1HG ARG 20 1HG ARG 20 -4.795 -20.857 -0.717 840 2HG ARG 20 2HG ARG 20 -5.702 -20.038 -1.989 841 1HD ARG 20 1HD ARG 20 -4.209 -21.100 -3.376 842 2HD ARG 20 2HD ARG 20 -3.129 -19.769 -2.913 843 HE ARG 20 HE ARG 20 -2.290 -21.247 -1.070 844 1HH1 ARG 20 1HH1 ARG 20 -3.045 -22.421 -4.129 845 2HH1 ARG 20 2HH1 ARG 20 -2.887 -24.095 -3.716 846 1HH2 ARG 20 1HH2 ARG 20 -2.534 -23.497 -0.318 847 2HH2 ARG 20 2HH2 ARG 20 -2.599 -24.706 -1.558 848 H PHE 21 H PHE 21 -5.019 -15.882 0.177 849 HA PHE 21 HA PHE 21 -2.734 -15.457 1.869 850 1HB PHE 21 1HB PHE 21 -5.032 -13.606 1.152 851 2HB PHE 21 2HB PHE 21 -3.423 -13.110 1.676 852 HD1 PHE 21 HD1 PHE 21 -2.334 -15.717 0.006 853 HD2 PHE 21 HD2 PHE 21 -4.554 -12.150 -0.893 854 HE1 PHE 21 HE1 PHE 21 -1.541 -15.815 -2.341 855 HE2 PHE 21 HE2 PHE 21 -3.759 -12.248 -3.241 856 HZ PHE 21 HZ PHE 21 -2.253 -14.081 -3.965 857 H LYS 22 H LYS 22 -6.111 -15.974 2.559 858 HA LYS 22 HA LYS 22 -6.318 -14.668 5.095 859 1HB LYS 22 1HB LYS 22 -7.649 -17.106 3.879 860 2HB LYS 22 2HB LYS 22 -8.199 -16.339 5.369 861 1HG LYS 22 1HG LYS 22 -7.950 -14.950 2.684 862 2HG LYS 22 2HG LYS 22 -9.461 -15.515 3.397 863 1HD LYS 22 1HD LYS 22 -8.925 -14.057 5.409 864 2HD LYS 22 2HD LYS 22 -7.618 -13.357 4.453 865 1HE LYS 22 1HE LYS 22 -9.439 -11.886 4.059 866 2HE LYS 22 2HE LYS 22 -9.481 -12.965 2.649 867 1HZ LYS 22 1HZ LYS 22 -11.204 -12.953 5.026 868 2HZ LYS 22 2HZ LYS 22 -10.878 -14.438 4.268 869 3HZ LYS 22 3HZ LYS 22 -11.621 -13.181 3.398 870 H LYS 23 H LYS 23 -5.141 -17.901 4.190 871 HA LYS 23 HA LYS 23 -4.875 -18.838 6.930 872 1HB LYS 23 1HB LYS 23 -3.707 -19.732 4.275 873 2HB LYS 23 2HB LYS 23 -3.614 -20.668 5.767 874 1HG LYS 23 1HG LYS 23 -6.229 -19.727 4.562 875 2HG LYS 23 2HG LYS 23 -5.526 -21.312 4.233 876 1HD LYS 23 1HD LYS 23 -5.464 -21.692 6.739 877 2HD LYS 23 2HD LYS 23 -6.420 -20.219 6.911 878 1HE LYS 23 1HE LYS 23 -8.094 -21.274 5.279 879 2HE LYS 23 2HE LYS 23 -7.215 -22.796 5.529 880 1HZ LYS 23 1HZ LYS 23 -7.923 -22.963 7.639 881 2HZ LYS 23 2HZ LYS 23 -9.156 -21.898 7.157 882 3HZ LYS 23 3HZ LYS 23 -7.772 -21.301 7.942 883 H HIS 24 H HIS 24 -2.627 -17.460 4.521 884 HA HIS 24 HA HIS 24 -0.414 -17.537 6.502 885 1HB HIS 24 1HB HIS 24 -0.391 -16.468 3.672 886 2HB HIS 24 2HB HIS 24 0.961 -17.120 4.598 887 HD1 HIS 24 HD1 HIS 24 -0.085 -19.748 5.602 888 HD2 HIS 24 HD2 HIS 24 -0.897 -18.387 1.747 889 HE1 HIS 24 HE1 HIS 24 -0.666 -21.795 4.228 890 H CYS 25 H CYS 25 -2.668 -15.723 7.003 891 HA CYS 25 HA CYS 25 -2.232 -13.046 6.185 892 1HB CYS 25 1HB CYS 25 -3.570 -12.525 8.175 893 2HB CYS 25 2HB CYS 25 -4.202 -13.974 7.396 894 HG CYS 25 HG CYS 25 -2.386 -15.102 9.325 895 H THR 26 H THR 26 -0.354 -15.038 8.308 896 HA THR 26 HA THR 26 0.961 -12.698 9.592 897 HB THR 26 HB THR 26 1.846 -15.493 10.076 898 HG1 THR 26 HG1 THR 26 -0.131 -16.157 10.236 899 1HG2 THR 26 1HG2 THR 26 2.650 -13.635 11.449 900 2HG2 THR 26 2HG2 THR 26 1.654 -14.711 12.427 901 3HG2 THR 26 3HG2 THR 26 0.992 -13.183 11.844 902 H LEU 27 H LEU 27 1.316 -14.488 6.777 903 HA LEU 27 HA LEU 27 4.278 -14.510 6.795 904 1HB LEU 27 1HB LEU 27 2.033 -15.648 5.207 905 2HB LEU 27 2HB LEU 27 3.541 -15.357 4.336 906 HG LEU 27 HG LEU 27 3.295 -16.927 6.920 907 1HD1 LEU 27 1HD1 LEU 27 3.264 -17.679 4.033 908 2HD1 LEU 27 2HD1 LEU 27 2.462 -18.447 5.405 909 3HD1 LEU 27 3HD1 LEU 27 4.183 -18.712 5.127 910 1HD2 LEU 27 1HD2 LEU 27 5.546 -15.814 5.383 911 2HD2 LEU 27 2HD2 LEU 27 5.707 -17.538 5.724 912 3HD2 LEU 27 3HD2 LEU 27 5.500 -16.392 7.049 913 H TYR 28 H TYR 28 1.839 -12.295 6.047 914 HA TYR 28 HA TYR 28 3.753 -10.667 4.456 915 1HB TYR 28 1HB TYR 28 2.057 -10.273 2.742 916 2HB TYR 28 2HB TYR 28 2.301 -12.009 2.919 917 HD1 TYR 28 HD1 TYR 28 0.506 -13.431 3.497 918 HD2 TYR 28 HD2 TYR 28 0.115 -9.184 4.011 919 HE1 TYR 28 HE1 TYR 28 -1.904 -13.716 4.009 920 HE2 TYR 28 HE2 TYR 28 -2.294 -9.468 4.525 921 HH TYR 28 HH TYR 28 -3.864 -11.049 5.164 922 H THR 29 H THR 29 2.443 -8.391 4.058 923 HA THR 29 HA THR 29 1.624 -7.561 6.789 924 HB THR 29 HB THR 29 2.400 -6.099 4.248 925 HG1 THR 29 HG1 THR 29 3.841 -5.821 6.567 926 1HG2 THR 29 1HG2 THR 29 1.674 -5.042 6.992 927 2HG2 THR 29 2HG2 THR 29 0.849 -4.699 5.471 928 3HG2 THR 29 3HG2 THR 29 2.479 -4.085 5.748 929 H ALA 30 H ALA 30 0.523 -6.503 3.529 930 HA ALA 30 HA ALA 30 -2.255 -7.174 4.174 931 1HB ALA 30 1HB ALA 30 -2.253 -5.129 5.312 932 2HB ALA 30 2HB ALA 30 -1.046 -4.423 4.236 933 3HB ALA 30 3HB ALA 30 -2.712 -4.610 3.690 934 H VAL 31 H VAL 31 -3.509 -7.143 2.303 935 HA VAL 31 HA VAL 31 -2.021 -7.126 -0.253 936 HB VAL 31 HB VAL 31 -3.513 -8.997 0.428 937 1HG1 VAL 31 1HG1 VAL 31 -5.638 -8.670 1.154 938 2HG1 VAL 31 2HG1 VAL 31 -5.982 -7.494 -0.115 939 3HG1 VAL 31 3HG1 VAL 31 -5.156 -6.986 1.357 940 1HG2 VAL 31 1HG2 VAL 31 -3.195 -8.653 -1.947 941 2HG2 VAL 31 2HG2 VAL 31 -4.386 -7.353 -1.966 942 3HG2 VAL 31 3HG2 VAL 31 -4.901 -9.016 -1.683 943 H SER 32 H SER 32 -1.919 -5.136 -1.274 944 HA SER 32 HA SER 32 -3.524 -2.873 -0.777 945 1HB SER 32 1HB SER 32 -2.701 -2.175 -3.034 946 2HB SER 32 2HB SER 32 -1.422 -2.872 -2.044 947 HG SER 32 HG SER 32 -1.690 -4.813 -3.159 948 H SER 33 H SER 33 -5.398 -2.035 -1.910 949 HA SER 33 HA SER 33 -7.449 -3.920 -2.506 950 1HB SER 33 1HB SER 33 -8.690 -2.008 -2.600 951 2HB SER 33 2HB SER 33 -7.208 -1.220 -2.066 952 HG SER 33 HG SER 33 -8.471 -1.174 -4.503 953 H THR 34 H THR 34 -8.398 -4.463 -4.582 954 HA THR 34 HA THR 34 -6.498 -5.044 -6.664 955 HB THR 34 HB THR 34 -9.495 -4.911 -6.993 956 HG1 THR 34 HG1 THR 34 -8.527 -7.232 -5.951 957 1HG2 THR 34 1HG2 THR 34 -7.459 -5.851 -8.595 958 2HG2 THR 34 2HG2 THR 34 -9.143 -6.369 -8.695 959 3HG2 THR 34 3HG2 THR 34 -7.984 -7.313 -7.758 960 H TRP 35 H TRP 35 -5.847 -3.754 -8.349 961 HA TRP 35 HA TRP 35 -7.604 -1.524 -9.246 962 1HB TRP 35 1HB TRP 35 -5.856 0.095 -8.899 963 2HB TRP 35 2HB TRP 35 -5.988 -0.823 -7.400 964 HD1 TRP 35 HD1 TRP 35 -3.993 -2.370 -6.715 965 HE1 TRP 35 HE1 TRP 35 -1.595 -2.659 -7.615 966 HE3 TRP 35 HE3 TRP 35 -4.400 0.154 -11.136 967 HZ2 TRP 35 HZ2 TRP 35 -0.051 -1.915 -9.907 968 HZ3 TRP 35 HZ3 TRP 35 -2.453 0.351 -12.657 969 HH2 TRP 35 HH2 TRP 35 -0.282 -0.679 -12.048 970 H HIS 36 H HIS 36 -6.415 -0.450 -11.247 971 HA HIS 36 HA HIS 36 -4.607 -2.222 -12.733 972 1HB HIS 36 1HB HIS 36 -6.802 -3.336 -12.917 973 2HB HIS 36 2HB HIS 36 -7.513 -1.845 -13.530 974 HD1 HIS 36 HD1 HIS 36 -7.314 -1.406 -16.001 975 HD2 HIS 36 HD2 HIS 36 -4.775 -4.462 -14.740 976 HE1 HIS 36 HE1 HIS 36 -6.291 -2.396 -18.095 977 H TRP 37 H TRP 37 -4.523 -1.308 -15.132 978 HA TRP 37 HA TRP 37 -3.955 1.555 -14.927 979 1HB TRP 37 1HB TRP 37 -3.928 -0.384 -17.265 980 2HB TRP 37 2HB TRP 37 -3.193 1.219 -17.259 981 HD1 TRP 37 HD1 TRP 37 -2.355 -2.272 -16.650 982 HE1 TRP 37 HE1 TRP 37 -0.146 -2.490 -15.339 983 HE3 TRP 37 HE3 TRP 37 -1.800 2.546 -15.060 984 HZ2 TRP 37 HZ2 TRP 37 1.623 -0.835 -13.814 985 HZ3 TRP 37 HZ3 TRP 37 0.153 3.201 -13.682 986 HH2 TRP 37 HH2 TRP 37 1.864 1.517 -13.057 987 H THR 38 H THR 38 -5.446 3.129 -15.308 988 HA THR 38 HA THR 38 -7.325 3.024 -17.516 989 HB THR 38 HB THR 38 -8.146 2.292 -14.712 990 HG1 THR 38 HG1 THR 38 -9.569 1.177 -16.642 991 1HG2 THR 38 1HG2 THR 38 -9.663 4.050 -15.006 992 2HG2 THR 38 2HG2 THR 38 -10.550 2.677 -15.669 993 3HG2 THR 38 3HG2 THR 38 -9.747 3.814 -16.752 994 H GLY 39 H GLY 39 -8.607 5.039 -17.608 995 1HA GLY 39 1HA GLY 39 -7.673 7.138 -15.700 996 2HA GLY 39 2HA GLY 39 -7.655 7.436 -17.438 997 H HIS 40 H HIS 40 -9.334 8.726 -17.982 998 HA HIS 40 HA HIS 40 -11.834 8.664 -16.396 999 1HB HIS 40 1HB HIS 40 -10.894 10.814 -16.919 1000 2HB HIS 40 2HB HIS 40 -10.705 10.384 -18.620 1001 HD1 HIS 40 HD1 HIS 40 -12.719 10.680 -20.145 1002 HD2 HIS 40 HD2 HIS 40 -13.662 11.243 -16.123 1003 HE1 HIS 40 HE1 HIS 40 -15.082 11.587 -20.084 1004 H ASN 41 H ASN 41 -10.727 8.052 -19.731 1005 HA ASN 41 HA ASN 41 -13.283 6.565 -20.207 1006 1HB ASN 41 1HB ASN 41 -13.327 8.861 -21.178 1007 2HB ASN 41 2HB ASN 41 -11.870 8.480 -22.096 1008 1HD2 ASN 41 1HD2 ASN 41 -14.758 6.424 -21.475 1009 2HD2 ASN 41 2HD2 ASN 41 -15.140 6.205 -23.114 1010 H VAL 42 H VAL 42 -11.433 4.901 -19.551 1011 HA VAL 42 HA VAL 42 -10.004 4.071 -22.058 1012 HB VAL 42 HB VAL 42 -9.253 3.639 -19.148 1013 1HG1 VAL 42 1HG1 VAL 42 -7.045 3.003 -20.172 1014 2HG1 VAL 42 2HG1 VAL 42 -7.812 3.080 -21.758 1015 3HG1 VAL 42 3HG1 VAL 42 -8.355 1.892 -20.572 1016 1HG2 VAL 42 1HG2 VAL 42 -8.207 5.595 -21.222 1017 2HG2 VAL 42 2HG2 VAL 42 -7.465 5.312 -19.647 1018 3HG2 VAL 42 3HG2 VAL 42 -9.083 6.005 -19.746 1019 H LYS 43 H LYS 43 -9.569 1.615 -22.019 1020 HA LYS 43 HA LYS 43 -12.096 0.231 -21.300 1021 1HB LYS 43 1HB LYS 43 -9.688 -0.849 -22.780 1022 2HB LYS 43 2HB LYS 43 -11.365 -1.379 -22.905 1023 1HG LYS 43 1HG LYS 43 -12.008 0.683 -23.991 1024 2HG LYS 43 2HG LYS 43 -10.415 1.385 -23.704 1025 1HD LYS 43 1HD LYS 43 -10.755 0.498 -26.046 1026 2HD LYS 43 2HD LYS 43 -9.370 -0.193 -25.199 1027 1HE LYS 43 1HE LYS 43 -10.702 -2.181 -24.600 1028 2HE LYS 43 2HE LYS 43 -12.111 -1.488 -25.428 1029 1HZ LYS 43 1HZ LYS 43 -10.148 -2.978 -26.607 1030 2HZ LYS 43 2HZ LYS 43 -9.737 -1.384 -27.025 1031 3HZ LYS 43 3HZ LYS 43 -11.273 -2.000 -27.414 1032 H HIS 44 H HIS 44 -11.645 -2.186 -20.588 1033 HA HIS 44 HA HIS 44 -9.642 -2.109 -18.356 1034 1HB HIS 44 1HB HIS 44 -11.912 -2.171 -17.555 1035 2HB HIS 44 2HB HIS 44 -12.343 -3.437 -18.705 1036 HD1 HIS 44 HD1 HIS 44 -10.541 -2.865 -15.463 1037 HD2 HIS 44 HD2 HIS 44 -11.482 -6.055 -17.976 1038 HE1 HIS 44 HE1 HIS 44 -10.026 -4.977 -14.163 1039 H LYS 45 H LYS 45 -8.118 -3.759 -18.312 1040 HA LYS 45 HA LYS 45 -8.326 -5.842 -20.456 1041 1HB LYS 45 1HB LYS 45 -6.430 -4.003 -20.143 1042 2HB LYS 45 2HB LYS 45 -5.802 -5.177 -18.986 1043 1HG LYS 45 1HG LYS 45 -5.311 -6.725 -20.608 1044 2HG LYS 45 2HG LYS 45 -6.666 -6.240 -21.628 1045 1HD LYS 45 1HD LYS 45 -4.498 -5.621 -22.653 1046 2HD LYS 45 2HD LYS 45 -5.464 -4.193 -22.276 1047 1HE LYS 45 1HE LYS 45 -3.965 -4.735 -19.938 1048 2HE LYS 45 2HE LYS 45 -2.834 -4.885 -21.298 1049 1HZ LYS 45 1HZ LYS 45 -3.170 -2.558 -20.489 1050 2HZ LYS 45 2HZ LYS 45 -4.779 -2.660 -21.025 1051 3HZ LYS 45 3HZ LYS 45 -3.501 -2.783 -22.138 1052 H SER 46 H SER 46 -6.547 -5.647 -17.350 1053 HA SER 46 HA SER 46 -7.999 -8.018 -16.333 1054 1HB SER 46 1HB SER 46 -5.444 -8.889 -16.012 1055 2HB SER 46 2HB SER 46 -6.443 -9.315 -17.400 1056 HG SER 46 HG SER 46 -5.406 -7.849 -18.610 1057 H ALA 47 H ALA 47 -8.521 -7.083 -14.367 1058 HA ALA 47 HA ALA 47 -7.311 -5.139 -12.858 1059 1HB ALA 47 1HB ALA 47 -8.786 -5.882 -11.287 1060 2HB ALA 47 2HB ALA 47 -9.272 -7.046 -12.519 1061 3HB ALA 47 3HB ALA 47 -8.097 -7.505 -11.286 1062 H ILE 48 H ILE 48 -5.755 -5.196 -11.075 1063 HA ILE 48 HA ILE 48 -3.892 -7.531 -11.078 1064 HB ILE 48 HB ILE 48 -3.133 -4.613 -11.425 1065 1HG1 ILE 48 1HG1 ILE 48 -2.974 -6.888 -13.427 1066 2HG1 ILE 48 2HG1 ILE 48 -4.263 -5.682 -13.413 1067 1HG2 ILE 48 1HG2 ILE 48 -1.626 -6.630 -10.341 1068 2HG2 ILE 48 2HG2 ILE 48 -0.958 -5.240 -11.197 1069 3HG2 ILE 48 3HG2 ILE 48 -1.210 -6.764 -12.049 1070 1HD1 ILE 48 1HD1 ILE 48 -1.310 -5.234 -13.892 1071 2HD1 ILE 48 2HD1 ILE 48 -2.422 -3.913 -13.531 1072 3HD1 ILE 48 3HD1 ILE 48 -2.649 -4.886 -14.985 1073 H VAL 49 H VAL 49 -2.892 -7.857 -9.066 1074 HA VAL 49 HA VAL 49 -3.724 -5.987 -6.870 1075 HB VAL 49 HB VAL 49 -3.152 -8.969 -6.883 1076 1HG1 VAL 49 1HG1 VAL 49 -4.177 -8.808 -4.565 1077 2HG1 VAL 49 2HG1 VAL 49 -4.010 -7.058 -4.696 1078 3HG1 VAL 49 3HG1 VAL 49 -2.576 -8.084 -4.724 1079 1HG2 VAL 49 1HG2 VAL 49 -5.725 -7.371 -6.693 1080 2HG2 VAL 49 2HG2 VAL 49 -5.614 -9.109 -6.418 1081 3HG2 VAL 49 3HG2 VAL 49 -5.248 -8.444 -8.009 1082 H THR 50 H THR 50 -2.149 -6.075 -4.967 1083 HA THR 50 HA THR 50 0.665 -6.673 -5.742 1084 HB THR 50 HB THR 50 -0.506 -3.991 -4.955 1085 HG1 THR 50 HG1 THR 50 0.712 -3.432 -6.884 1086 1HG2 THR 50 1HG2 THR 50 1.425 -3.998 -3.649 1087 2HG2 THR 50 2HG2 THR 50 2.030 -3.343 -5.170 1088 3HG2 THR 50 3HG2 THR 50 2.300 -5.040 -4.771 1089 H LEU 51 H LEU 51 2.046 -6.915 -3.854 1090 HA LEU 51 HA LEU 51 0.632 -6.819 -1.218 1091 1HB LEU 51 1HB LEU 51 2.125 -9.079 -2.558 1092 2HB LEU 51 2HB LEU 51 1.886 -9.042 -0.811 1093 HG LEU 51 HG LEU 51 -0.624 -8.431 -1.954 1094 1HD1 LEU 51 1HD1 LEU 51 -0.919 -9.739 -3.780 1095 2HD1 LEU 51 2HD1 LEU 51 -0.028 -11.081 -3.061 1096 3HD1 LEU 51 3HD1 LEU 51 0.842 -9.780 -3.874 1097 1HD2 LEU 51 1HD2 LEU 51 0.607 -10.788 -0.536 1098 2HD2 LEU 51 2HD2 LEU 51 -1.074 -10.844 -1.069 1099 3HD2 LEU 51 3HD2 LEU 51 -0.554 -9.612 0.081 1100 H THR 52 H THR 52 1.865 -5.761 0.276 1101 HA THR 52 HA THR 52 4.708 -5.172 -0.380 1102 HB THR 52 HB THR 52 3.725 -3.941 2.030 1103 HG1 THR 52 HG1 THR 52 1.697 -3.821 1.539 1104 1HG2 THR 52 1HG2 THR 52 4.148 -2.809 -0.749 1105 2HG2 THR 52 2HG2 THR 52 5.425 -3.049 0.443 1106 3HG2 THR 52 3HG2 THR 52 4.127 -1.898 0.760 1107 H TYR 53 H TYR 53 6.376 -6.062 0.806 1108 HA TYR 53 HA TYR 53 5.633 -7.798 3.134 1109 1HB TYR 53 1HB TYR 53 7.848 -7.870 1.071 1110 2HB TYR 53 2HB TYR 53 7.836 -8.915 2.491 1111 HD1 TYR 53 HD1 TYR 53 5.719 -7.880 -0.419 1112 HD2 TYR 53 HD2 TYR 53 6.653 -10.945 2.444 1113 HE1 TYR 53 HE1 TYR 53 4.182 -9.438 -1.585 1114 HE2 TYR 53 HE2 TYR 53 5.115 -12.503 1.278 1115 HH TYR 53 HH TYR 53 2.884 -11.996 -0.364 1116 H ASP 54 H ASP 54 6.890 -7.602 5.045 1117 HA ASP 54 HA ASP 54 8.320 -5.024 5.334 1118 1HB ASP 54 1HB ASP 54 6.940 -7.033 7.034 1119 2HB ASP 54 2HB ASP 54 8.274 -6.163 7.794 1120 H SER 55 H SER 55 9.180 -8.186 4.552 1121 HA SER 55 HA SER 55 12.004 -7.645 5.215 1122 1HB SER 55 1HB SER 55 12.195 -9.661 6.605 1123 2HB SER 55 2HB SER 55 10.971 -8.589 7.277 1124 HG SER 55 HG SER 55 9.550 -9.950 5.759 1125 H GLU 56 H GLU 56 13.074 -8.271 3.392 1126 HA GLU 56 HA GLU 56 12.077 -9.638 1.188 1127 1HB GLU 56 1HB GLU 56 14.619 -8.825 2.293 1128 2HB GLU 56 2HB GLU 56 14.793 -10.383 1.486 1129 1HG GLU 56 1HG GLU 56 13.495 -9.339 -0.466 1130 2HG GLU 56 2HG GLU 56 13.783 -7.786 0.320 1131 H TRP 57 H TRP 57 13.665 -11.051 4.057 1132 HA TRP 57 HA TRP 57 13.805 -13.749 3.259 1133 1HB TRP 57 1HB TRP 57 14.757 -12.795 5.319 1134 2HB TRP 57 2HB TRP 57 13.135 -12.521 5.954 1135 HD1 TRP 57 HD1 TRP 57 12.838 -14.239 7.819 1136 HE1 TRP 57 HE1 TRP 57 13.123 -16.794 8.021 1137 HE3 TRP 57 HE3 TRP 57 14.912 -15.259 3.262 1138 HZ2 TRP 57 HZ2 TRP 57 14.102 -18.980 6.457 1139 HZ3 TRP 57 HZ3 TRP 57 15.509 -17.584 2.644 1140 HH2 TRP 57 HH2 TRP 57 15.107 -19.444 4.237 1141 H GLN 58 H GLN 58 11.143 -12.211 5.110 1142 HA GLN 58 HA GLN 58 9.359 -14.419 5.056 1143 1HB GLN 58 1HB GLN 58 9.320 -12.235 6.395 1144 2HB GLN 58 2HB GLN 58 8.603 -11.490 4.965 1145 1HG GLN 58 1HG GLN 58 6.974 -13.590 5.124 1146 2HG GLN 58 2HG GLN 58 7.448 -13.527 6.823 1147 1HE2 GLN 58 1HE2 GLN 58 5.863 -12.395 7.954 1148 2HE2 GLN 58 2HE2 GLN 58 5.118 -10.967 7.419 1149 H ARG 59 H ARG 59 10.002 -11.917 2.641 1150 HA ARG 59 HA ARG 59 7.708 -12.232 0.993 1151 1HB ARG 59 1HB ARG 59 9.376 -10.437 0.806 1152 2HB ARG 59 2HB ARG 59 10.599 -11.607 0.308 1153 1HG ARG 59 1HG ARG 59 8.252 -11.902 -1.341 1154 2HG ARG 59 2HG ARG 59 8.780 -10.219 -1.356 1155 1HD ARG 59 1HD ARG 59 11.044 -12.060 -1.546 1156 2HD ARG 59 2HD ARG 59 9.894 -12.270 -2.882 1157 HE ARG 59 HE ARG 59 10.655 -9.492 -2.161 1158 1HH1 ARG 59 1HH2 ARG 59 11.954 -12.079 -3.866 1159 2HH1 ARG 59 2HH2 ARG 59 12.085 -11.244 -5.378 1160 1HH2 ARG 59 1HH1 ARG 59 10.349 -8.449 -4.288 1161 2HH2 ARG 59 2HH1 ARG 59 11.177 -9.189 -5.617 1162 H ASP 60 H ASP 60 10.918 -13.796 0.595 1163 HA ASP 60 HA ASP 60 10.187 -15.483 -1.576 1164 1HB ASP 60 1HB ASP 60 12.483 -15.044 -0.976 1165 2HB ASP 60 2HB ASP 60 12.241 -15.709 0.641 1166 H GLN 61 H GLN 61 9.786 -15.910 1.915 1167 HA GLN 61 HA GLN 61 9.227 -18.724 1.899 1168 1HB GLN 61 1HB GLN 61 8.617 -16.377 3.689 1169 2HB GLN 61 2HB GLN 61 8.013 -17.986 4.085 1170 1HG GLN 61 1HG GLN 61 10.265 -18.891 4.100 1171 2HG GLN 61 2HG GLN 61 10.925 -17.360 3.526 1172 1HE2 GLN 61 1HE2 GLN 61 11.645 -15.958 5.139 1173 2HE2 GLN 61 2HE2 GLN 61 11.183 -16.035 6.771 1174 H PHE 62 H PHE 62 7.040 -15.893 1.780 1175 HA PHE 62 HA PHE 62 4.563 -17.245 1.766 1176 1HB PHE 62 1HB PHE 62 4.704 -14.869 2.023 1177 2HB PHE 62 2HB PHE 62 5.564 -14.688 0.494 1178 HD1 PHE 62 HD1 PHE 62 2.294 -15.351 2.070 1179 HD2 PHE 62 HD2 PHE 62 4.394 -14.799 -1.638 1180 HE1 PHE 62 HE1 PHE 62 0.131 -15.098 0.883 1181 HE2 PHE 62 HE2 PHE 62 2.231 -14.546 -2.826 1182 HZ PHE 62 HZ PHE 62 0.100 -14.696 -1.565 1183 H LEU 63 H LEU 63 6.048 -15.849 -1.177 1184 HA LEU 63 HA LEU 63 4.454 -17.284 -3.033 1185 1HB LEU 63 1HB LEU 63 6.109 -16.501 -4.637 1186 2HB LEU 63 2HB LEU 63 5.879 -15.252 -3.412 1187 HG LEU 63 HG LEU 63 7.860 -16.536 -2.204 1188 1HD1 LEU 63 1HD1 LEU 63 8.918 -18.090 -3.443 1189 2HD1 LEU 63 2HD1 LEU 63 9.138 -16.933 -4.756 1190 3HD1 LEU 63 3HD1 LEU 63 7.672 -17.909 -4.677 1191 1HD2 LEU 63 1HD2 LEU 63 9.352 -15.107 -4.010 1192 2HD2 LEU 63 2HD2 LEU 63 8.499 -14.393 -2.641 1193 3HD2 LEU 63 3HD2 LEU 63 7.753 -14.399 -4.239 1194 H SER 64 H SER 64 7.002 -18.449 -1.043 1195 HA SER 64 HA SER 64 7.772 -20.639 -2.872 1196 1HB SER 64 1HB SER 64 9.513 -19.710 -1.536 1197 2HB SER 64 2HB SER 64 8.514 -19.727 -0.086 1198 HG SER 64 HG SER 64 8.972 -22.149 -1.395 1199 H GLN 65 H GLN 65 5.579 -20.048 -0.232 1200 HA GLN 65 HA GLN 65 5.081 -22.953 0.177 1201 1HB GLN 65 1HB GLN 65 3.890 -20.542 1.578 1202 2HB GLN 65 2HB GLN 65 3.941 -22.203 2.169 1203 1HG GLN 65 1HG GLN 65 6.598 -21.209 1.480 1204 2HG GLN 65 2HG GLN 65 5.820 -20.220 2.717 1205 1HE2 GLN 65 1HE2 GLN 65 6.269 -20.972 4.784 1206 2HE2 GLN 65 2HE2 GLN 65 6.499 -22.600 5.207 1207 H VAL 66 H VAL 66 3.351 -19.950 -0.684 1208 HA VAL 66 HA VAL 66 0.995 -21.557 -1.542 1209 HB VAL 66 HB VAL 66 0.448 -19.702 -0.158 1210 1HG1 VAL 66 1HG1 VAL 66 2.278 -18.303 0.005 1211 2HG1 VAL 66 2HG1 VAL 66 1.298 -17.349 -1.108 1212 3HG1 VAL 66 3HG1 VAL 66 2.606 -18.359 -1.727 1213 1HG2 VAL 66 1HG2 VAL 66 -0.411 -19.813 -2.816 1214 2HG2 VAL 66 2HG2 VAL 66 -0.020 -18.114 -2.553 1215 3HG2 VAL 66 3HG2 VAL 66 -1.186 -18.923 -1.507 1216 H LYS 67 H LYS 67 1.861 -22.433 -3.503 1217 HA LYS 67 HA LYS 67 3.186 -20.917 -5.540 1218 1HB LYS 67 1HB LYS 67 2.620 -22.898 -6.914 1219 2HB LYS 67 2HB LYS 67 3.186 -23.380 -5.314 1220 1HG LYS 67 1HG LYS 67 0.769 -23.494 -4.588 1221 2HG LYS 67 2HG LYS 67 0.316 -23.248 -6.275 1222 1HD LYS 67 1HD LYS 67 1.700 -25.256 -6.876 1223 2HD LYS 67 2HD LYS 67 1.952 -25.540 -5.153 1224 1HE LYS 67 1HE LYS 67 0.085 -26.913 -5.702 1225 2HE LYS 67 2HE LYS 67 -0.652 -25.466 -4.985 1226 1HZ LYS 67 1HZ LYS 67 -0.140 -25.845 -7.888 1227 2HZ LYS 67 2HZ LYS 67 -0.921 -24.522 -7.166 1228 3HZ LYS 67 3HZ LYS 67 -1.650 -26.056 -7.146 1229 H ILE 68 H ILE 68 1.969 -20.993 -7.866 1230 HA ILE 68 HA ILE 68 -0.842 -20.076 -7.659 1231 HB ILE 68 HB ILE 68 0.770 -18.203 -9.218 1232 1HG1 ILE 68 1HG1 ILE 68 1.376 -18.436 -6.250 1233 2HG1 ILE 68 2HG1 ILE 68 2.512 -18.783 -7.553 1234 1HG2 ILE 68 1HG2 ILE 68 -0.398 -16.913 -7.022 1235 2HG2 ILE 68 2HG2 ILE 68 -1.479 -18.263 -7.375 1236 3HG2 ILE 68 3HG2 ILE 68 -1.098 -17.084 -8.632 1237 1HD1 ILE 68 1HD1 ILE 68 3.070 -16.580 -7.045 1238 2HD1 ILE 68 2HD1 ILE 68 1.407 -16.142 -6.657 1239 3HD1 ILE 68 3HD1 ILE 68 1.896 -16.344 -8.339 1240 HA PRO 69 HA PRO 69 -1.237 -22.159 -11.492 1241 1HB PRO 69 1HB PRO 69 -2.711 -20.406 -12.988 1242 2HB PRO 69 2HB PRO 69 -3.415 -21.423 -11.715 1243 1HG PRO 69 1HG PRO 69 -2.648 -18.551 -11.634 1244 2HG PRO 69 2HG PRO 69 -4.047 -19.369 -10.918 1245 1HD PRO 69 1HD PRO 69 -1.847 -18.645 -9.494 1246 2HD PRO 69 2HD PRO 69 -2.881 -20.020 -9.061 1247 H LYS 70 H LYS 70 -0.961 -21.496 -14.006 1248 HA LYS 70 HA LYS 70 1.646 -20.076 -14.150 1249 1HB LYS 70 1HB LYS 70 1.695 -21.181 -16.393 1250 2HB LYS 70 2HB LYS 70 1.430 -22.331 -15.081 1251 1HG LYS 70 1HG LYS 70 -1.079 -21.214 -16.056 1252 2HG LYS 70 2HG LYS 70 -0.178 -22.016 -17.343 1253 1HD LYS 70 1HD LYS 70 -0.169 -24.083 -16.224 1254 2HD LYS 70 2HD LYS 70 -0.509 -23.341 -14.660 1255 1HE LYS 70 1HE LYS 70 -2.765 -22.611 -15.707 1256 2HE LYS 70 2HE LYS 70 -2.413 -23.824 -16.954 1257 1HZ LYS 70 1HZ LYS 70 -3.632 -24.654 -14.914 1258 2HZ LYS 70 2HZ LYS 70 -2.184 -24.412 -14.060 1259 3HZ LYS 70 3HZ LYS 70 -2.236 -25.513 -15.352 1260 H THR 71 H THR 71 -1.604 -19.311 -14.562 1261 HA THR 71 HA THR 71 -1.298 -17.581 -16.926 1262 HB THR 71 HB THR 71 -3.686 -16.933 -15.852 1263 HG1 THR 71 HG1 THR 71 -4.410 -18.454 -14.519 1264 1HG2 THR 71 1HG2 THR 71 -4.274 -19.400 -16.922 1265 2HG2 THR 71 2HG2 THR 71 -2.697 -19.051 -17.630 1266 3HG2 THR 71 3HG2 THR 71 -4.035 -17.924 -17.857 1267 H ILE 72 H ILE 72 -1.046 -17.311 -13.463 1268 HA ILE 72 HA ILE 72 -1.178 -14.343 -13.532 1269 HB ILE 72 HB ILE 72 -2.319 -15.604 -11.755 1270 1HG1 ILE 72 1HG1 ILE 72 -0.827 -14.642 -9.774 1271 2HG1 ILE 72 2HG1 ILE 72 0.030 -13.862 -11.104 1272 1HG2 ILE 72 1HG2 ILE 72 0.017 -16.498 -10.302 1273 2HG2 ILE 72 2HG2 ILE 72 -0.009 -17.221 -11.910 1274 3HG2 ILE 72 3HG2 ILE 72 -1.383 -17.432 -10.827 1275 1HD1 ILE 72 1HD1 ILE 72 -2.565 -13.215 -9.964 1276 2HD1 ILE 72 2HD1 ILE 72 -2.681 -13.494 -11.702 1277 3HD1 ILE 72 3HD1 ILE 72 -1.570 -12.274 -11.077 1278 H THR 73 H THR 73 0.759 -13.481 -14.326 1279 HA THR 73 HA THR 73 3.330 -14.718 -13.476 1280 HB THR 73 HB THR 73 2.736 -12.449 -15.406 1281 HG1 THR 73 HG1 THR 73 2.645 -15.229 -15.650 1282 1HG2 THR 73 1HG2 THR 73 5.125 -13.138 -14.354 1283 2HG2 THR 73 2HG2 THR 73 4.943 -12.531 -16.000 1284 3HG2 THR 73 3HG2 THR 73 5.064 -14.266 -15.709 1285 H VAL 74 H VAL 74 4.969 -13.316 -12.468 1286 HA VAL 74 HA VAL 74 3.922 -10.726 -11.401 1287 HB VAL 74 HB VAL 74 3.367 -12.444 -9.781 1288 1HG1 VAL 74 1HG1 VAL 74 6.098 -13.372 -10.483 1289 2HG1 VAL 74 2HG1 VAL 74 4.669 -14.308 -10.043 1290 3HG1 VAL 74 3HG1 VAL 74 5.641 -13.539 -8.788 1291 1HG2 VAL 74 1HG2 VAL 74 5.757 -10.727 -9.083 1292 2HG2 VAL 74 2HG2 VAL 74 4.933 -11.714 -7.877 1293 3HG2 VAL 74 3HG2 VAL 74 4.059 -10.430 -8.712 1294 H SER 75 H SER 75 5.439 -9.183 -11.196 1295 HA SER 75 HA SER 75 8.255 -9.835 -11.953 1296 1HB SER 75 1HB SER 75 6.370 -7.877 -12.695 1297 2HB SER 75 2HB SER 75 7.570 -7.022 -11.729 1298 HG SER 75 HG SER 75 9.113 -7.565 -13.148 1299 H THR 76 H THR 76 9.798 -8.057 -10.833 1300 HA THR 76 HA THR 76 9.121 -7.967 -7.910 1301 HB THR 76 HB THR 76 11.690 -8.344 -7.717 1302 HG1 THR 76 HG1 THR 76 12.056 -8.017 -9.964 1303 1HG2 THR 76 1HG2 THR 76 11.380 -10.726 -7.695 1304 2HG2 THR 76 2HG2 THR 76 10.048 -10.621 -8.844 1305 3HG2 THR 76 3HG2 THR 76 9.847 -10.006 -7.204 1306 H GLY 77 H GLY 77 10.117 -6.158 -6.766 1307 1HA GLY 77 1HA GLY 77 11.726 -4.185 -8.131 1308 2HA GLY 77 2HA GLY 77 10.041 -3.671 -8.052 1309 H PHE 78 H PHE 78 11.475 -1.981 -6.730 1310 HA PHE 78 HA PHE 78 11.002 -2.626 -3.863 1311 1HB PHE 78 1HB PHE 78 13.625 -1.748 -5.113 1312 2HB PHE 78 2HB PHE 78 13.322 -1.761 -3.376 1313 HD1 PHE 78 HD1 PHE 78 14.012 -3.788 -6.335 1314 HD2 PHE 78 HD2 PHE 78 12.871 -3.906 -2.193 1315 HE1 PHE 78 HE1 PHE 78 14.567 -6.204 -6.250 1316 HE2 PHE 78 HE2 PHE 78 13.427 -6.321 -2.109 1317 HZ PHE 78 HZ PHE 78 14.275 -7.471 -4.137 1318 H MET 79 H MET 79 10.151 -0.841 -2.833 1319 HA MET 79 HA MET 79 10.361 1.802 -4.244 1320 1HB MET 79 1HB MET 79 8.157 0.211 -3.105 1321 2HB MET 79 2HB MET 79 8.129 1.910 -2.631 1322 1HG MET 79 1HG MET 79 8.572 2.353 -5.177 1323 2HG MET 79 2HG MET 79 7.952 0.714 -5.383 1324 1HE MET 79 1HE MET 79 5.298 0.100 -5.203 1325 2HE MET 79 2HE MET 79 6.095 0.007 -3.635 1326 3HE MET 79 3HE MET 79 4.507 0.773 -3.778 1327 H SER 80 H SER 80 9.746 3.609 -2.495 1328 HA SER 80 HA SER 80 11.037 3.007 0.126 1329 1HB SER 80 1HB SER 80 12.636 4.730 -0.171 1330 2HB SER 80 2HB SER 80 12.596 3.927 -1.738 1331 HG SER 80 HG SER 80 11.298 6.325 -0.953 1332 H ILE 81 H ILE 81 9.361 3.527 1.494 1333 HA ILE 81 HA ILE 81 7.508 5.734 0.851 1334 HB ILE 81 HB ILE 81 6.720 3.581 1.739 1335 1HG1 ILE 81 1HG1 ILE 81 6.449 5.606 3.965 1336 2HG1 ILE 81 2HG1 ILE 81 5.659 5.838 2.405 1337 1HG2 ILE 81 1HG2 ILE 81 7.475 3.635 4.432 1338 2HG2 ILE 81 2HG2 ILE 81 8.956 4.014 3.552 1339 3HG2 ILE 81 3HG2 ILE 81 8.077 2.526 3.199 1340 1HD1 ILE 81 1HD1 ILE 81 5.156 3.736 4.486 1341 2HD1 ILE 81 2HD1 ILE 81 4.818 3.373 2.794 1342 3HD1 ILE 81 3HD1 ILE 81 3.996 4.715 3.589 Start of MODEL 13 1 1H MET 1 1H MET 1 17.037 1.934 -13.073 2 2H MET 1 2H MET 1 16.176 2.452 -14.442 3 3H MET 1 3H MET 1 16.794 0.872 -14.372 4 HA MET 1 HA MET 1 14.887 0.159 -13.495 5 1HB MET 1 1HB MET 1 15.787 2.189 -11.438 6 2HB MET 1 2HB MET 1 14.391 1.145 -11.172 7 1HG MET 1 1HG MET 1 15.794 -0.845 -11.486 8 2HG MET 1 2HG MET 1 17.194 0.179 -11.808 9 1HE MET 1 1HE MET 1 15.188 -1.489 -8.554 10 2HE MET 1 2HE MET 1 14.617 0.123 -8.131 11 3HE MET 1 3HE MET 1 14.325 -0.524 -9.751 12 H THR 2 H THR 2 12.623 0.622 -13.494 13 HA THR 2 HA THR 2 11.802 2.960 -14.986 14 HB THR 2 HB THR 2 9.501 1.935 -14.094 15 HG1 THR 2 HG1 THR 2 9.937 -0.331 -13.673 16 1HG2 THR 2 1HG2 THR 2 10.966 1.684 -16.364 17 2HG2 THR 2 2HG2 THR 2 9.433 0.854 -16.100 18 3HG2 THR 2 3HG2 THR 2 10.954 0.009 -15.810 19 HA PRO 3 HA PRO 3 11.090 5.436 -11.394 20 1HB PRO 3 1HB PRO 3 10.198 7.695 -12.654 21 2HB PRO 3 2HB PRO 3 11.905 7.208 -12.640 22 1HG PRO 3 1HG PRO 3 9.857 6.864 -14.772 23 2HG PRO 3 2HG PRO 3 11.567 7.302 -14.910 24 1HD PRO 3 1HD PRO 3 10.641 4.803 -15.412 25 2HD PRO 3 2HD PRO 3 12.275 5.125 -14.794 26 H ILE 4 H ILE 4 9.325 5.709 -10.046 27 HA ILE 4 HA ILE 4 6.593 5.858 -11.242 28 HB ILE 4 HB ILE 4 5.925 4.079 -9.567 29 1HG1 ILE 4 1HG1 ILE 4 8.517 2.889 -9.279 30 2HG1 ILE 4 2HG1 ILE 4 8.598 4.551 -8.693 31 1HG2 ILE 4 1HG2 ILE 4 6.051 2.974 -11.547 32 2HG2 ILE 4 2HG2 ILE 4 7.556 2.318 -10.903 33 3HG2 ILE 4 3HG2 ILE 4 7.591 3.719 -11.970 34 1HD1 ILE 4 1HD1 ILE 4 6.160 3.595 -7.719 35 2HD1 ILE 4 2HD1 ILE 4 7.642 3.813 -6.787 36 3HD1 ILE 4 3HD1 ILE 4 7.274 2.245 -7.505 37 H VAL 5 H VAL 5 4.977 6.202 -9.285 38 HA VAL 5 HA VAL 5 6.250 7.716 -7.060 39 HB VAL 5 HB VAL 5 5.827 9.240 -8.997 40 1HG1 VAL 5 1HG1 VAL 5 3.390 9.759 -9.457 41 2HG1 VAL 5 2HG1 VAL 5 2.980 8.316 -8.531 42 3HG1 VAL 5 3HG1 VAL 5 3.922 8.174 -10.015 43 1HG2 VAL 5 1HG2 VAL 5 5.061 9.557 -6.285 44 2HG2 VAL 5 2HG2 VAL 5 3.801 10.323 -7.253 45 3HG2 VAL 5 3HG2 VAL 5 5.482 10.827 -7.435 46 H HIS 6 H HIS 6 4.823 7.975 -5.239 47 HA HIS 6 HA HIS 6 2.243 6.453 -5.381 48 1HB HIS 6 1HB HIS 6 4.717 5.933 -3.915 49 2HB HIS 6 2HB HIS 6 3.328 6.047 -2.835 50 HD1 HIS 6 HD1 HIS 6 2.690 3.668 -2.385 51 HD2 HIS 6 HD2 HIS 6 3.406 4.338 -6.436 52 HE1 HIS 6 HE1 HIS 6 2.090 1.519 -3.582 53 H LEU 7 H LEU 7 0.767 8.111 -5.030 54 HA LEU 7 HA LEU 7 1.343 9.987 -2.763 55 1HB LEU 7 1HB LEU 7 0.285 11.693 -4.052 56 2HB LEU 7 2HB LEU 7 1.318 10.828 -5.189 57 HG LEU 7 HG LEU 7 -0.896 9.350 -5.481 58 1HD1 LEU 7 1HD1 LEU 7 -2.871 10.388 -4.957 59 2HD1 LEU 7 2HD1 LEU 7 -2.220 12.001 -5.246 60 3HD1 LEU 7 3HD1 LEU 7 -1.871 11.168 -3.731 61 1HD2 LEU 7 1HD2 LEU 7 -1.398 11.655 -7.065 62 2HD2 LEU 7 2HD2 LEU 7 -0.542 10.189 -7.543 63 3HD2 LEU 7 3HD2 LEU 7 0.350 11.550 -6.860 64 H LYS 8 H LYS 8 -0.629 10.757 -1.626 65 HA LYS 8 HA LYS 8 -2.982 8.921 -1.853 66 1HB LYS 8 1HB LYS 8 -2.813 8.387 0.458 67 2HB LYS 8 2HB LYS 8 -1.145 8.329 -0.114 68 1HG LYS 8 1HG LYS 8 -0.885 10.725 0.616 69 2HG LYS 8 2HG LYS 8 -2.481 10.614 1.358 70 1HD LYS 8 1HD LYS 8 -1.630 8.619 2.665 71 2HD LYS 8 2HD LYS 8 -0.018 9.000 2.061 72 1HE LYS 8 1HE LYS 8 -0.550 11.419 2.970 73 2HE LYS 8 2HE LYS 8 -1.729 10.559 3.980 74 1HZ LYS 8 1HZ LYS 8 1.017 9.524 3.679 75 2HZ LYS 8 2HZ LYS 8 -0.098 9.250 4.932 76 3HZ LYS 8 3HZ LYS 8 0.693 10.749 4.807 77 H GLY 9 H GLY 9 -4.884 9.836 -0.590 78 1HA GLY 9 1HA GLY 9 -5.060 12.365 0.560 79 2HA GLY 9 2HA GLY 9 -5.201 12.658 -1.174 80 H ASP 10 H ASP 10 -7.394 13.379 0.063 81 HA ASP 10 HA ASP 10 -9.332 11.360 0.706 82 1HB ASP 10 1HB ASP 10 -9.186 13.968 1.076 83 2HB ASP 10 2HB ASP 10 -10.024 14.036 -0.475 84 H ALA 11 H ALA 11 -10.693 10.181 -0.624 85 HA ALA 11 HA ALA 11 -10.190 9.699 -3.336 86 1HB ALA 11 1HB ALA 11 -12.143 9.071 -1.336 87 2HB ALA 11 2HB ALA 11 -12.995 9.455 -2.832 88 3HB ALA 11 3HB ALA 11 -11.777 8.181 -2.814 89 H ASN 12 H ASN 12 -11.922 12.373 -1.881 90 HA ASN 12 HA ASN 12 -13.249 13.208 -4.360 91 1HB ASN 12 1HB ASN 12 -12.763 14.595 -1.701 92 2HB ASN 12 2HB ASN 12 -13.900 15.130 -2.940 93 1HD2 ASN 12 1HD2 ASN 12 -13.886 13.563 -0.050 94 2HD2 ASN 12 2HD2 ASN 12 -15.208 12.521 -0.267 95 H THR 13 H THR 13 -10.587 14.534 -2.347 96 HA THR 13 HA THR 13 -9.858 16.678 -4.055 97 HB THR 13 HB THR 13 -8.020 14.954 -2.368 98 HG1 THR 13 HG1 THR 13 -9.285 17.196 -1.329 99 1HG2 THR 13 1HG2 THR 13 -8.014 17.929 -2.945 100 2HG2 THR 13 2HG2 THR 13 -6.995 16.751 -3.772 101 3HG2 THR 13 3HG2 THR 13 -6.793 17.030 -2.042 102 H LEU 14 H LEU 14 -9.491 13.279 -4.486 103 HA LEU 14 HA LEU 14 -7.264 13.531 -6.420 104 1HB LEU 14 1HB LEU 14 -8.940 11.256 -5.322 105 2HB LEU 14 2HB LEU 14 -7.667 11.020 -6.520 106 HG LEU 14 HG LEU 14 -7.032 12.556 -4.026 107 1HD1 LEU 14 1HD1 LEU 14 -6.488 9.661 -3.904 108 2HD1 LEU 14 2HD1 LEU 14 -8.199 10.078 -3.808 109 3HD1 LEU 14 3HD1 LEU 14 -7.061 10.752 -2.642 110 1HD2 LEU 14 1HD2 LEU 14 -5.229 10.507 -5.182 111 2HD2 LEU 14 2HD2 LEU 14 -4.871 12.152 -4.656 112 3HD2 LEU 14 3HD2 LEU 14 -5.595 11.870 -6.240 113 H LYS 15 H LYS 15 -10.762 13.115 -6.372 114 HA LYS 15 HA LYS 15 -11.182 12.181 -9.025 115 1HB LYS 15 1HB LYS 15 -12.796 12.421 -7.065 116 2HB LYS 15 2HB LYS 15 -12.907 14.132 -7.478 117 1HG LYS 15 1HG LYS 15 -13.952 13.707 -9.525 118 2HG LYS 15 2HG LYS 15 -13.345 12.054 -9.605 119 1HD LYS 15 1HD LYS 15 -15.164 12.790 -7.344 120 2HD LYS 15 2HD LYS 15 -15.869 12.536 -8.940 121 1HE LYS 15 1HE LYS 15 -14.706 10.307 -9.042 122 2HE LYS 15 2HE LYS 15 -14.196 10.556 -7.359 123 1HZ LYS 15 1HZ LYS 15 -16.519 9.443 -7.994 124 2HZ LYS 15 2HZ LYS 15 -16.997 11.074 -7.966 125 3HZ LYS 15 3HZ LYS 15 -16.299 10.366 -6.588 126 H CYS 16 H CYS 16 -11.113 15.549 -7.792 127 HA CYS 16 HA CYS 16 -11.475 16.767 -10.384 128 1HB CYS 16 1HB CYS 16 -11.936 17.730 -8.094 129 2HB CYS 16 2HB CYS 16 -10.194 17.896 -7.880 130 HG CYS 16 HG CYS 16 -11.282 20.127 -8.909 131 H LEU 17 H LEU 17 -8.606 15.874 -8.491 132 HA LEU 17 HA LEU 17 -6.624 17.272 -9.966 133 1HB LEU 17 1HB LEU 17 -6.866 15.045 -8.082 134 2HB LEU 17 2HB LEU 17 -5.504 14.843 -9.185 135 HG LEU 17 HG LEU 17 -4.613 17.012 -8.581 136 1HD1 LEU 17 1HD1 LEU 17 -5.981 18.078 -6.519 137 2HD1 LEU 17 2HD1 LEU 17 -7.321 17.321 -7.381 138 3HD1 LEU 17 3HD1 LEU 17 -6.310 18.513 -8.196 139 1HD2 LEU 17 1HD2 LEU 17 -3.672 15.864 -6.877 140 2HD2 LEU 17 2HD2 LEU 17 -5.141 14.923 -6.623 141 3HD2 LEU 17 3HD2 LEU 17 -4.957 16.496 -5.848 142 H ARG 18 H ARG 18 -7.881 13.957 -10.462 143 HA ARG 18 HA ARG 18 -6.324 13.102 -12.604 144 1HB ARG 18 1HB ARG 18 -8.109 11.829 -11.426 145 2HB ARG 18 2HB ARG 18 -9.324 12.794 -12.269 146 1HG ARG 18 1HG ARG 18 -8.398 12.026 -14.440 147 2HG ARG 18 2HG ARG 18 -7.249 11.008 -13.573 148 1HD ARG 18 1HD ARG 18 -9.058 9.694 -12.605 149 2HD ARG 18 2HD ARG 18 -10.269 10.782 -13.317 150 HE ARG 18 HE ARG 18 -8.734 8.760 -14.769 151 1HH1 ARG 18 1HH1 ARG 18 -11.364 10.791 -14.878 152 2HH1 ARG 18 2HH1 ARG 18 -11.274 11.131 -16.575 153 1HH2 ARG 18 1HH2 ARG 18 -8.185 9.606 -16.981 154 2HH2 ARG 18 2HH2 ARG 18 -9.472 10.459 -17.765 155 H TYR 19 H TYR 19 -8.970 15.457 -12.662 156 HA TYR 19 HA TYR 19 -9.333 15.573 -15.500 157 1HB TYR 19 1HB TYR 19 -10.812 16.497 -13.676 158 2HB TYR 19 2HB TYR 19 -9.628 17.783 -13.441 159 HD1 TYR 19 HD1 TYR 19 -11.828 16.202 -16.012 160 HD2 TYR 19 HD2 TYR 19 -9.623 19.694 -14.827 161 HE1 TYR 19 HE1 TYR 19 -12.837 17.475 -17.887 162 HE2 TYR 19 HE2 TYR 19 -10.631 20.967 -16.702 163 HH TYR 19 HH TYR 19 -11.734 20.687 -18.730 164 H ARG 20 H ARG 20 -6.896 16.919 -13.371 165 HA ARG 20 HA ARG 20 -5.900 18.921 -15.227 166 1HB ARG 20 1HB ARG 20 -4.646 17.503 -12.850 167 2HB ARG 20 2HB ARG 20 -4.036 18.984 -13.590 168 1HG ARG 20 1HG ARG 20 -6.170 20.118 -13.066 169 2HG ARG 20 2HG ARG 20 -6.759 18.643 -12.302 170 1HD ARG 20 1HD ARG 20 -4.925 18.746 -10.652 171 2HD ARG 20 2HD ARG 20 -4.317 20.227 -11.420 172 HE ARG 20 HE ARG 20 -7.159 20.330 -10.693 173 1HH1 ARG 20 1HH2 ARG 20 -4.749 19.937 -8.553 174 2HH1 ARG 20 2HH2 ARG 20 -4.767 21.537 -7.891 175 1HH2 ARG 20 1HH1 ARG 20 -6.821 22.825 -10.370 176 2HH2 ARG 20 2HH1 ARG 20 -5.940 23.172 -8.920 177 H PHE 21 H PHE 21 -5.215 15.518 -14.565 178 HA PHE 21 HA PHE 21 -2.781 15.302 -16.081 179 1HB PHE 21 1HB PHE 21 -4.924 13.223 -15.539 180 2HB PHE 21 2HB PHE 21 -3.218 12.916 -15.861 181 HD1 PHE 21 HD1 PHE 21 -2.643 15.651 -14.143 182 HD2 PHE 21 HD2 PHE 21 -4.527 11.858 -13.419 183 HE1 PHE 21 HE1 PHE 21 -2.149 15.867 -11.722 184 HE2 PHE 21 HE2 PHE 21 -4.032 12.074 -10.997 185 HZ PHE 21 HZ PHE 21 -2.843 14.079 -10.149 186 H LYS 22 H LYS 22 -5.968 15.905 -17.088 187 HA LYS 22 HA LYS 22 -6.158 14.378 -19.498 188 1HB LYS 22 1HB LYS 22 -7.266 17.028 -18.544 189 2HB LYS 22 2HB LYS 22 -7.732 16.324 -20.093 190 1HG LYS 22 1HG LYS 22 -8.000 14.933 -17.411 191 2HG LYS 22 2HG LYS 22 -9.322 15.720 -18.275 192 1HD LYS 22 1HD LYS 22 -8.827 14.201 -20.234 193 2HD LYS 22 2HD LYS 22 -7.706 13.327 -19.190 194 1HE LYS 22 1HE LYS 22 -9.399 12.394 -17.926 195 2HE LYS 22 2HE LYS 22 -10.470 13.792 -18.145 196 1HZ LYS 22 1HZ LYS 22 -10.736 13.191 -20.466 197 2HZ LYS 22 2HZ LYS 22 -11.210 11.897 -19.474 198 3HZ LYS 22 3HZ LYS 22 -9.710 11.855 -20.269 199 H LYS 23 H LYS 23 -5.015 17.734 -18.964 200 HA LYS 23 HA LYS 23 -4.128 18.056 -21.719 201 1HB LYS 23 1HB LYS 23 -3.478 19.583 -19.176 202 2HB LYS 23 2HB LYS 23 -3.239 20.173 -20.820 203 1HG LYS 23 1HG LYS 23 -5.949 19.262 -19.854 204 2HG LYS 23 2HG LYS 23 -5.389 20.917 -19.607 205 1HD LYS 23 1HD LYS 23 -4.804 20.724 -22.200 206 2HD LYS 23 2HD LYS 23 -6.082 19.510 -22.151 207 1HE LYS 23 1HE LYS 23 -7.659 21.130 -22.082 208 2HE LYS 23 2HE LYS 23 -6.895 21.851 -20.652 209 1HZ LYS 23 1HZ LYS 23 -6.689 23.458 -22.343 210 2HZ LYS 23 2HZ LYS 23 -6.224 22.308 -23.503 211 3HZ LYS 23 3HZ LYS 23 -5.163 22.725 -22.245 212 H HIS 24 H HIS 24 -2.717 16.878 -18.740 213 HA HIS 24 HA HIS 24 0.030 16.918 -19.872 214 1HB HIS 24 1HB HIS 24 -1.169 16.151 -17.191 215 2HB HIS 24 2HB HIS 24 0.558 16.108 -17.544 216 HD1 HIS 24 HD1 HIS 24 0.861 18.004 -15.703 217 HD2 HIS 24 HD2 HIS 24 -1.352 19.141 -19.049 218 HE1 HIS 24 HE1 HIS 24 0.725 20.532 -15.647 219 H CYS 25 H CYS 25 -2.149 15.124 -20.946 220 HA CYS 25 HA CYS 25 -1.899 12.442 -20.067 221 1HB CYS 25 1HB CYS 25 -2.589 11.972 -22.464 222 2HB CYS 25 2HB CYS 25 -3.595 13.157 -21.630 223 HG CYS 25 HG CYS 25 -1.314 14.037 -23.588 224 H THR 26 H THR 26 0.366 14.457 -21.759 225 HA THR 26 HA THR 26 1.975 12.126 -22.671 226 HB THR 26 HB THR 26 1.430 14.203 -24.060 227 HG1 THR 26 HG1 THR 26 3.504 14.228 -24.923 228 1HG2 THR 26 1HG2 THR 26 1.810 15.780 -22.131 229 2HG2 THR 26 2HG2 THR 26 2.664 16.227 -23.607 230 3HG2 THR 26 3HG2 THR 26 3.536 15.456 -22.282 231 H LEU 27 H LEU 27 1.609 13.565 -19.789 232 HA LEU 27 HA LEU 27 4.469 14.038 -19.179 233 1HB LEU 27 1HB LEU 27 1.811 14.636 -18.032 234 2HB LEU 27 2HB LEU 27 3.073 14.314 -16.841 235 HG LEU 27 HG LEU 27 4.531 15.941 -18.204 236 1HD1 LEU 27 1HD1 LEU 27 3.483 16.378 -20.206 237 2HD1 LEU 27 2HD1 LEU 27 2.779 17.686 -19.255 238 3HD1 LEU 27 3HD1 LEU 27 1.869 16.199 -19.521 239 1HD2 LEU 27 1HD2 LEU 27 2.061 17.064 -16.844 240 2HD2 LEU 27 2HD2 LEU 27 3.622 17.864 -17.015 241 3HD2 LEU 27 3HD2 LEU 27 3.469 16.439 -15.986 242 H TYR 28 H TYR 28 1.909 11.659 -18.488 243 HA TYR 28 HA TYR 28 3.959 10.036 -17.016 244 1HB TYR 28 1HB TYR 28 1.945 9.068 -15.868 245 2HB TYR 28 2HB TYR 28 2.135 10.798 -15.591 246 HD1 TYR 28 HD1 TYR 28 0.658 12.426 -16.683 247 HD2 TYR 28 HD2 TYR 28 0.146 8.200 -17.265 248 HE1 TYR 28 HE1 TYR 28 -1.598 12.831 -17.632 249 HE2 TYR 28 HE2 TYR 28 -2.110 8.604 -18.214 250 HH TYR 28 HH TYR 28 -3.549 10.156 -18.933 251 H THR 29 H THR 29 3.477 7.616 -17.209 252 HA THR 29 HA THR 29 2.875 6.987 -20.058 253 HB THR 29 HB THR 29 4.019 5.146 -17.957 254 HG1 THR 29 HG1 THR 29 5.909 6.132 -18.097 255 1HG2 THR 29 1HG2 THR 29 5.149 5.241 -20.665 256 2HG2 THR 29 2HG2 THR 29 3.435 4.824 -20.633 257 3HG2 THR 29 3HG2 THR 29 4.597 3.856 -19.724 258 H ALA 30 H ALA 30 1.807 6.253 -16.764 259 HA ALA 30 HA ALA 30 -0.719 5.163 -17.814 260 1HB ALA 30 1HB ALA 30 1.509 3.495 -17.341 261 2HB ALA 30 2HB ALA 30 0.411 3.221 -15.989 262 3HB ALA 30 3HB ALA 30 -0.152 2.984 -17.643 263 H VAL 31 H VAL 31 -2.159 6.190 -16.477 264 HA VAL 31 HA VAL 31 -1.397 6.859 -13.696 265 HB VAL 31 HB VAL 31 -2.525 8.443 -15.281 266 1HG1 VAL 31 1HG1 VAL 31 -4.008 6.391 -16.105 267 2HG1 VAL 31 2HG1 VAL 31 -4.626 8.042 -16.165 268 3HG1 VAL 31 3HG1 VAL 31 -5.093 6.973 -14.842 269 1HG2 VAL 31 1HG2 VAL 31 -4.552 8.830 -13.579 270 2HG2 VAL 31 2HG2 VAL 31 -2.883 9.163 -13.115 271 3HG2 VAL 31 3HG2 VAL 31 -3.649 7.650 -12.628 272 H SER 32 H SER 32 -1.531 4.970 -12.443 273 HA SER 32 HA SER 32 -3.270 2.793 -12.691 274 1HB SER 32 1HB SER 32 -2.679 2.364 -10.403 275 2HB SER 32 2HB SER 32 -1.303 3.197 -11.119 276 HG SER 32 HG SER 32 -3.117 4.034 -9.198 277 H SER 33 H SER 33 -5.319 2.292 -11.705 278 HA SER 33 HA SER 33 -7.306 4.332 -11.782 279 1HB SER 33 1HB SER 33 -8.735 2.555 -10.907 280 2HB SER 33 2HB SER 33 -7.611 1.874 -12.080 281 HG SER 33 HG SER 33 -7.378 0.556 -10.390 282 H THR 34 H THR 34 -7.364 2.516 -8.858 283 HA THR 34 HA THR 34 -6.241 4.523 -7.081 284 HB THR 34 HB THR 34 -9.198 4.456 -7.706 285 HG1 THR 34 HG1 THR 34 -8.636 6.257 -8.588 286 1HG2 THR 34 1HG2 THR 34 -9.605 5.781 -5.694 287 2HG2 THR 34 2HG2 THR 34 -7.898 5.687 -5.261 288 3HG2 THR 34 3HG2 THR 34 -8.893 4.232 -5.245 289 H TRP 35 H TRP 35 -5.659 3.351 -5.323 290 HA TRP 35 HA TRP 35 -7.507 1.279 -4.257 291 1HB TRP 35 1HB TRP 35 -5.624 -0.353 -4.242 292 2HB TRP 35 2HB TRP 35 -6.048 0.150 -5.879 293 HD1 TRP 35 HD1 TRP 35 -4.457 2.114 -6.967 294 HE1 TRP 35 HE1 TRP 35 -1.929 2.515 -6.657 295 HE3 TRP 35 HE3 TRP 35 -3.664 -0.544 -2.681 296 HZ2 TRP 35 HZ2 TRP 35 0.155 1.800 -4.831 297 HZ3 TRP 35 HZ3 TRP 35 -1.403 -0.671 -1.678 298 HH2 TRP 35 HH2 TRP 35 0.507 0.496 -2.745 299 H HIS 36 H HIS 36 -5.930 0.229 -2.294 300 HA HIS 36 HA HIS 36 -4.427 2.317 -0.879 301 1HB HIS 36 1HB HIS 36 -6.717 3.043 -0.509 302 2HB HIS 36 2HB HIS 36 -7.194 1.415 -0.030 303 HD1 HIS 36 HD1 HIS 36 -4.826 4.176 1.102 304 HD2 HIS 36 HD2 HIS 36 -6.891 0.916 2.679 305 HE1 HIS 36 HE1 HIS 36 -4.444 4.229 3.605 306 H TRP 37 H TRP 37 -3.840 1.447 1.406 307 HA TRP 37 HA TRP 37 -2.983 -1.337 1.138 308 1HB TRP 37 1HB TRP 37 -2.685 0.922 3.099 309 2HB TRP 37 2HB TRP 37 -2.167 -0.700 3.552 310 HD1 TRP 37 HD1 TRP 37 -0.511 2.154 2.556 311 HE1 TRP 37 HE1 TRP 37 1.482 1.735 0.976 312 HE3 TRP 37 HE3 TRP 37 -1.629 -2.567 0.961 313 HZ2 TRP 37 HZ2 TRP 37 2.471 -0.333 -0.740 314 HZ3 TRP 37 HZ3 TRP 37 -0.148 -3.737 -0.643 315 HH2 TRP 37 HH2 TRP 37 1.900 -2.627 -1.495 316 H THR 38 H THR 38 -4.794 -2.693 1.289 317 HA THR 38 HA THR 38 -5.875 -3.183 3.942 318 HB THR 38 HB THR 38 -7.438 -1.686 1.842 319 HG1 THR 38 HG1 THR 38 -8.044 -0.565 3.813 320 1HG2 THR 38 1HG2 THR 38 -8.390 -3.866 3.516 321 2HG2 THR 38 2HG2 THR 38 -9.228 -2.997 2.231 322 3HG2 THR 38 3HG2 THR 38 -9.231 -2.358 3.874 323 H GLY 39 H GLY 39 -7.794 -3.556 1.014 324 1HA GLY 39 1HA GLY 39 -6.959 -5.903 -0.123 325 2HA GLY 39 2HA GLY 39 -7.755 -6.465 1.347 326 H HIS 40 H HIS 40 -9.708 -7.240 0.746 327 HA HIS 40 HA HIS 40 -11.198 -6.345 -1.549 328 1HB HIS 40 1HB HIS 40 -12.848 -7.914 -0.688 329 2HB HIS 40 2HB HIS 40 -11.245 -8.596 -0.416 330 HD1 HIS 40 HD1 HIS 40 -14.318 -7.864 1.323 331 HD2 HIS 40 HD2 HIS 40 -10.288 -7.931 2.383 332 HE1 HIS 40 HE1 HIS 40 -14.245 -7.996 3.851 333 H ASN 41 H ASN 41 -11.450 -5.668 1.935 334 HA ASN 41 HA ASN 41 -13.553 -3.620 1.345 335 1HB ASN 41 1HB ASN 41 -14.070 -5.494 2.908 336 2HB ASN 41 2HB ASN 41 -12.731 -4.979 3.933 337 1HD2 ASN 41 1HD2 ASN 41 -15.786 -3.715 2.505 338 2HD2 ASN 41 2HD2 ASN 41 -16.121 -2.655 3.787 339 H VAL 42 H VAL 42 -12.260 -1.799 0.851 340 HA VAL 42 HA VAL 42 -10.066 -1.076 2.728 341 HB VAL 42 HB VAL 42 -10.995 0.140 0.106 342 1HG1 VAL 42 1HG1 VAL 42 -9.512 1.441 1.849 343 2HG1 VAL 42 2HG1 VAL 42 -9.053 1.439 0.146 344 3HG1 VAL 42 3HG1 VAL 42 -8.236 0.363 1.282 345 1HG2 VAL 42 1HG2 VAL 42 -10.028 -2.363 0.368 346 2HG2 VAL 42 2HG2 VAL 42 -8.503 -1.478 0.331 347 3HG2 VAL 42 3HG2 VAL 42 -9.635 -1.341 -1.013 348 H LYS 43 H LYS 43 -10.892 -0.013 4.513 349 HA LYS 43 HA LYS 43 -12.366 2.511 4.043 350 1HB LYS 43 1HB LYS 43 -14.078 1.698 5.783 351 2HB LYS 43 2HB LYS 43 -14.181 0.962 4.183 352 1HG LYS 43 1HG LYS 43 -13.148 -1.038 4.907 353 2HG LYS 43 2HG LYS 43 -12.526 -0.284 6.376 354 1HD LYS 43 1HD LYS 43 -15.489 -0.361 5.932 355 2HD LYS 43 2HD LYS 43 -14.672 -1.822 6.486 356 1HE LYS 43 1HE LYS 43 -14.297 -0.962 8.566 357 2HE LYS 43 2HE LYS 43 -13.878 0.638 7.924 358 1HZ LYS 43 1HZ LYS 43 -16.563 -0.514 8.380 359 2HZ LYS 43 2HZ LYS 43 -16.331 0.766 7.287 360 3HZ LYS 43 3HZ LYS 43 -15.943 0.966 8.930 361 H HIS 44 H HIS 44 -9.703 1.905 5.084 362 HA HIS 44 HA HIS 44 -10.033 2.590 7.983 363 1HB HIS 44 1HB HIS 44 -7.606 1.542 6.495 364 2HB HIS 44 2HB HIS 44 -7.829 1.614 8.243 365 HD1 HIS 44 HD1 HIS 44 -7.698 -0.891 5.915 366 HD2 HIS 44 HD2 HIS 44 -10.704 0.167 8.602 367 HE1 HIS 44 HE1 HIS 44 -9.134 -2.954 6.233 368 H LYS 45 H LYS 45 -7.476 3.177 5.543 369 HA LYS 45 HA LYS 45 -7.199 5.952 6.589 370 1HB LYS 45 1HB LYS 45 -5.531 3.888 5.287 371 2HB LYS 45 2HB LYS 45 -5.181 5.542 4.787 372 1HG LYS 45 1HG LYS 45 -4.084 5.901 6.715 373 2HG LYS 45 2HG LYS 45 -5.550 5.527 7.623 374 1HD LYS 45 1HD LYS 45 -4.294 3.795 8.426 375 2HD LYS 45 2HD LYS 45 -4.767 3.022 6.912 376 1HE LYS 45 1HE LYS 45 -2.688 3.962 5.845 377 2HE LYS 45 2HE LYS 45 -2.190 4.538 7.449 378 1HZ LYS 45 1HZ LYS 45 -3.127 1.803 7.378 379 2HZ LYS 45 2HZ LYS 45 -1.773 2.466 8.163 380 3HZ LYS 45 3HZ LYS 45 -1.691 2.064 6.514 381 H SER 46 H SER 46 -6.014 7.015 4.177 382 HA SER 46 HA SER 46 -8.500 7.488 2.617 383 1HB SER 46 1HB SER 46 -6.860 9.230 3.684 384 2HB SER 46 2HB SER 46 -5.861 8.895 2.273 385 HG SER 46 HG SER 46 -8.229 9.199 1.301 386 H ALA 47 H ALA 47 -8.723 6.781 0.530 387 HA ALA 47 HA ALA 47 -7.347 4.749 -0.696 388 1HB ALA 47 1HB ALA 47 -9.212 5.344 -1.885 389 2HB ALA 47 2HB ALA 47 -8.985 7.062 -1.563 390 3HB ALA 47 3HB ALA 47 -8.056 6.275 -2.838 391 H ILE 48 H ILE 48 -5.775 4.792 -2.544 392 HA ILE 48 HA ILE 48 -3.943 7.153 -2.521 393 HB ILE 48 HB ILE 48 -3.169 4.246 -2.097 394 1HG1 ILE 48 1HG1 ILE 48 -2.928 6.535 -0.129 395 2HG1 ILE 48 2HG1 ILE 48 -4.345 5.482 -0.168 396 1HG2 ILE 48 1HG2 ILE 48 -1.547 5.797 -3.330 397 2HG2 ILE 48 2HG2 ILE 48 -0.924 5.020 -1.875 398 3HG2 ILE 48 3HG2 ILE 48 -1.433 6.708 -1.825 399 1HD1 ILE 48 1HD1 ILE 48 -1.616 4.237 -0.085 400 2HD1 ILE 48 2HD1 ILE 48 -3.146 3.618 0.537 401 3HD1 ILE 48 3HD1 ILE 48 -2.297 4.900 1.401 402 H VAL 49 H VAL 49 -2.426 7.082 -4.400 403 HA VAL 49 HA VAL 49 -3.355 5.292 -6.617 404 HB VAL 49 HB VAL 49 -2.737 8.241 -6.902 405 1HG1 VAL 49 1HG1 VAL 49 -4.271 7.867 -8.919 406 2HG1 VAL 49 2HG1 VAL 49 -4.101 6.141 -8.596 407 3HG1 VAL 49 3HG1 VAL 49 -2.681 7.106 -8.999 408 1HG2 VAL 49 1HG2 VAL 49 -4.587 8.363 -5.481 409 2HG2 VAL 49 2HG2 VAL 49 -5.263 6.844 -6.066 410 3HG2 VAL 49 3HG2 VAL 49 -5.369 8.298 -7.060 411 H THR 50 H THR 50 -1.754 5.342 -8.473 412 HA THR 50 HA THR 50 1.025 6.087 -7.704 413 HB THR 50 HB THR 50 0.057 3.318 -8.500 414 HG1 THR 50 HG1 THR 50 -0.292 3.565 -6.371 415 1HG2 THR 50 1HG2 THR 50 2.145 3.105 -9.346 416 2HG2 THR 50 2HG2 THR 50 2.687 3.120 -7.667 417 3HG2 THR 50 3HG2 THR 50 2.685 4.613 -8.606 418 H LEU 51 H LEU 51 2.420 6.262 -9.606 419 HA LEU 51 HA LEU 51 1.016 6.000 -12.237 420 1HB LEU 51 1HB LEU 51 2.314 8.378 -10.934 421 2HB LEU 51 2HB LEU 51 2.325 8.246 -12.692 422 HG LEU 51 HG LEU 51 -0.300 7.610 -11.648 423 1HD1 LEU 51 1HD1 LEU 51 0.955 9.465 -10.048 424 2HD1 LEU 51 2HD1 LEU 51 -0.790 9.356 -10.282 425 3HD1 LEU 51 3HD1 LEU 51 0.160 10.490 -11.244 426 1HD2 LEU 51 1HD2 LEU 51 0.714 9.881 -13.390 427 2HD2 LEU 51 2HD2 LEU 51 -0.958 9.332 -13.272 428 3HD2 LEU 51 3HD2 LEU 51 0.269 8.280 -13.978 429 H THR 52 H THR 52 2.328 5.124 -13.813 430 HA THR 52 HA THR 52 5.117 4.430 -13.050 431 HB THR 52 HB THR 52 4.533 3.264 -15.487 432 HG1 THR 52 HG1 THR 52 2.335 2.491 -15.025 433 1HG2 THR 52 1HG2 THR 52 5.409 2.201 -13.399 434 2HG2 THR 52 2HG2 THR 52 4.161 1.242 -14.196 435 3HG2 THR 52 3HG2 THR 52 3.765 2.190 -12.762 436 H TYR 53 H TYR 53 6.791 5.622 -13.869 437 HA TYR 53 HA TYR 53 6.268 7.367 -16.245 438 1HB TYR 53 1HB TYR 53 8.147 7.460 -13.878 439 2HB TYR 53 2HB TYR 53 8.374 8.506 -15.278 440 HD1 TYR 53 HD1 TYR 53 5.805 7.468 -12.763 441 HD2 TYR 53 HD2 TYR 53 7.179 10.522 -15.454 442 HE1 TYR 53 HE1 TYR 53 4.085 9.021 -11.879 443 HE2 TYR 53 HE2 TYR 53 5.459 12.075 -14.571 444 HH TYR 53 HH TYR 53 3.039 10.990 -12.221 445 H ASP 54 H ASP 54 7.753 7.297 -17.998 446 HA ASP 54 HA ASP 54 9.394 4.824 -18.146 447 1HB ASP 54 1HB ASP 54 8.018 6.705 -19.981 448 2HB ASP 54 2HB ASP 54 9.522 6.016 -20.595 449 H SER 55 H SER 55 9.767 8.228 -17.679 450 HA SER 55 HA SER 55 12.732 7.908 -17.893 451 1HB SER 55 1HB SER 55 11.225 10.313 -18.938 452 2HB SER 55 2HB SER 55 12.896 9.856 -19.260 453 HG SER 55 HG SER 55 10.500 8.687 -20.196 454 H GLU 56 H GLU 56 13.665 8.656 -16.032 455 HA GLU 56 HA GLU 56 12.284 9.729 -13.826 456 1HB GLU 56 1HB GLU 56 15.049 9.371 -14.764 457 2HB GLU 56 2HB GLU 56 14.865 10.690 -13.607 458 1HG GLU 56 1HG GLU 56 13.708 9.166 -12.048 459 2HG GLU 56 2HG GLU 56 13.891 7.845 -13.203 460 H TRP 57 H TRP 57 14.046 11.459 -16.411 461 HA TRP 57 HA TRP 57 13.853 14.097 -15.441 462 1HB TRP 57 1HB TRP 57 15.058 13.234 -17.476 463 2HB TRP 57 2HB TRP 57 13.501 13.126 -18.296 464 HD1 TRP 57 HD1 TRP 57 13.340 15.088 -19.900 465 HE1 TRP 57 HE1 TRP 57 13.788 17.622 -19.767 466 HE3 TRP 57 HE3 TRP 57 15.279 15.394 -15.185 467 HZ2 TRP 57 HZ2 TRP 57 14.832 19.528 -17.907 468 HZ3 TRP 57 HZ3 TRP 57 15.991 17.580 -14.257 469 HH2 TRP 57 HH2 TRP 57 15.769 19.646 -15.613 470 H GLN 58 H GLN 58 11.500 12.311 -17.470 471 HA GLN 58 HA GLN 58 9.532 14.350 -17.674 472 1HB GLN 58 1HB GLN 58 9.764 12.094 -18.866 473 2HB GLN 58 2HB GLN 58 9.042 11.370 -17.429 474 1HG GLN 58 1HG GLN 58 7.089 12.922 -17.697 475 2HG GLN 58 2HG GLN 58 7.791 13.472 -19.220 476 1HE2 GLN 58 1HE2 GLN 58 5.667 12.517 -20.122 477 2HE2 GLN 58 2HE2 GLN 58 5.647 10.858 -20.482 478 H ARG 59 H ARG 59 10.127 11.936 -15.139 479 HA ARG 59 HA ARG 59 7.749 12.264 -13.624 480 1HB ARG 59 1HB ARG 59 9.396 10.482 -13.296 481 2HB ARG 59 2HB ARG 59 10.604 11.664 -12.792 482 1HG ARG 59 1HG ARG 59 8.018 11.713 -11.326 483 2HG ARG 59 2HG ARG 59 9.064 10.324 -11.029 484 1HD ARG 59 1HD ARG 59 10.872 11.719 -10.293 485 2HD ARG 59 2HD ARG 59 10.064 13.185 -10.886 486 HE ARG 59 HE ARG 59 8.188 12.212 -9.178 487 1HH1 ARG 59 1HH1 ARG 59 11.366 13.412 -8.952 488 2HH1 ARG 59 2HH1 ARG 59 11.443 13.316 -7.225 489 1HH2 ARG 59 1HH2 ARG 59 8.367 11.743 -6.913 490 2HH2 ARG 59 2HH2 ARG 59 9.744 12.372 -6.069 491 H ASP 60 H ASP 60 10.867 14.012 -13.364 492 HA ASP 60 HA ASP 60 10.180 15.648 -11.137 493 1HB ASP 60 1HB ASP 60 12.405 15.190 -12.444 494 2HB ASP 60 2HB ASP 60 11.910 16.574 -13.418 495 H GLN 61 H GLN 61 9.645 16.138 -14.626 496 HA GLN 61 HA GLN 61 8.711 18.846 -14.458 497 1HB GLN 61 1HB GLN 61 8.229 16.559 -16.391 498 2HB GLN 61 2HB GLN 61 7.705 18.214 -16.702 499 1HG GLN 61 1HG GLN 61 9.967 19.027 -16.664 500 2HG GLN 61 2HG GLN 61 10.572 17.483 -16.061 501 1HE2 GLN 61 1HE2 GLN 61 10.996 15.822 -17.595 502 2HE2 GLN 61 2HE2 GLN 61 10.749 16.009 -19.264 503 H PHE 62 H PHE 62 7.019 15.721 -14.266 504 HA PHE 62 HA PHE 62 4.338 16.599 -14.332 505 1HB PHE 62 1HB PHE 62 4.916 14.279 -14.430 506 2HB PHE 62 2HB PHE 62 5.777 14.362 -12.893 507 HD1 PHE 62 HD1 PHE 62 2.493 14.170 -14.514 508 HD2 PHE 62 HD2 PHE 62 4.555 14.536 -10.763 509 HE1 PHE 62 HE1 PHE 62 0.400 13.603 -13.309 510 HE2 PHE 62 HE2 PHE 62 2.461 13.969 -9.556 511 HZ PHE 62 HZ PHE 62 0.384 13.501 -10.831 512 H LEU 63 H LEU 63 6.092 15.756 -11.322 513 HA LEU 63 HA LEU 63 4.235 16.947 -9.536 514 1HB LEU 63 1HB LEU 63 6.084 16.700 -7.931 515 2HB LEU 63 2HB LEU 63 6.017 15.297 -9.000 516 HG LEU 63 HG LEU 63 7.698 16.649 -10.472 517 1HD1 LEU 63 1HD1 LEU 63 9.048 17.840 -8.302 518 2HD1 LEU 63 2HD1 LEU 63 7.369 18.360 -8.161 519 3HD1 LEU 63 3HD1 LEU 63 8.265 18.668 -9.648 520 1HD2 LEU 63 1HD2 LEU 63 8.435 14.626 -9.465 521 2HD2 LEU 63 2HD2 LEU 63 8.313 15.298 -7.839 522 3HD2 LEU 63 3HD2 LEU 63 9.595 15.838 -8.922 523 H SER 64 H SER 64 6.388 18.489 -11.695 524 HA SER 64 HA SER 64 6.718 20.911 -10.023 525 1HB SER 64 1HB SER 64 8.638 20.338 -11.257 526 2HB SER 64 2HB SER 64 7.701 19.883 -12.677 527 HG SER 64 HG SER 64 7.788 22.525 -11.654 528 H GLN 65 H GLN 65 4.705 19.727 -12.636 529 HA GLN 65 HA GLN 65 3.731 22.455 -13.279 530 1HB GLN 65 1HB GLN 65 2.991 19.733 -14.398 531 2HB GLN 65 2HB GLN 65 2.638 21.298 -15.129 532 1HG GLN 65 1HG GLN 65 5.488 20.751 -14.471 533 2HG GLN 65 2HG GLN 65 4.798 19.840 -15.815 534 1HE2 GLN 65 1HE2 GLN 65 4.764 20.914 -17.801 535 2HE2 GLN 65 2HE2 GLN 65 4.926 22.591 -17.999 536 H VAL 66 H VAL 66 2.702 19.527 -11.608 537 HA VAL 66 HA VAL 66 0.010 20.764 -11.153 538 HB VAL 66 HB VAL 66 -0.466 18.325 -10.412 539 1HG1 VAL 66 1HG1 VAL 66 0.213 19.144 -13.244 540 2HG1 VAL 66 2HG1 VAL 66 -1.375 19.093 -12.477 541 3HG1 VAL 66 3HG1 VAL 66 -0.536 17.591 -12.867 542 1HG2 VAL 66 1HG2 VAL 66 2.195 18.013 -10.475 543 2HG2 VAL 66 2HG2 VAL 66 1.847 17.580 -12.150 544 3HG2 VAL 66 3HG2 VAL 66 1.097 16.680 -10.832 545 H LYS 67 H LYS 67 1.217 22.160 -9.508 546 HA LYS 67 HA LYS 67 2.536 21.259 -7.208 547 1HB LYS 67 1HB LYS 67 2.036 23.619 -8.029 548 2HB LYS 67 2HB LYS 67 0.438 23.442 -7.305 549 1HG LYS 67 1HG LYS 67 1.619 22.843 -5.132 550 2HG LYS 67 2HG LYS 67 3.116 23.373 -5.901 551 1HD LYS 67 1HD LYS 67 2.359 25.305 -4.780 552 2HD LYS 67 2HD LYS 67 1.822 25.554 -6.442 553 1HE LYS 67 1HE LYS 67 -0.221 25.926 -5.470 554 2HE LYS 67 2HE LYS 67 -0.299 24.154 -5.373 555 1HZ LYS 67 1HZ LYS 67 1.009 25.852 -3.320 556 2HZ LYS 67 2HZ LYS 67 0.673 24.189 -3.224 557 3HZ LYS 67 3HZ LYS 67 -0.595 25.317 -3.196 558 H ILE 68 H ILE 68 1.814 19.571 -5.922 559 HA ILE 68 HA ILE 68 -1.067 19.139 -5.499 560 HB ILE 68 HB ILE 68 1.517 17.735 -5.170 561 1HG1 ILE 68 1HG1 ILE 68 -1.080 16.324 -5.491 562 2HG1 ILE 68 2HG1 ILE 68 -0.636 17.449 -6.776 563 1HG2 ILE 68 1HG2 ILE 68 0.795 17.735 -2.827 564 2HG2 ILE 68 2HG2 ILE 68 0.604 16.124 -3.517 565 3HG2 ILE 68 3HG2 ILE 68 -0.804 17.163 -3.303 566 1HD1 ILE 68 1HD1 ILE 68 1.734 16.100 -6.291 567 2HD1 ILE 68 2HD1 ILE 68 0.615 15.758 -7.611 568 3HD1 ILE 68 3HD1 ILE 68 0.518 14.837 -6.110 569 HA PRO 69 HA PRO 69 -1.318 21.557 -1.833 570 1HB PRO 69 1HB PRO 69 -3.212 20.127 -0.474 571 2HB PRO 69 2HB PRO 69 -3.603 21.201 -1.832 572 1HG PRO 69 1HG PRO 69 -3.326 18.239 -1.778 573 2HG PRO 69 2HG PRO 69 -4.487 19.250 -2.654 574 1HD PRO 69 1HD PRO 69 -2.304 18.121 -3.823 575 2HD PRO 69 2HD PRO 69 -3.049 19.631 -4.390 576 H LYS 70 H LYS 70 -1.332 21.000 0.687 577 HA LYS 70 HA LYS 70 0.972 19.221 1.151 578 1HB LYS 70 1HB LYS 70 1.084 20.360 3.231 579 2HB LYS 70 2HB LYS 70 0.489 21.581 2.107 580 1HG LYS 70 1HG LYS 70 -1.876 20.645 2.836 581 2HG LYS 70 2HG LYS 70 -0.986 20.111 4.262 582 1HD LYS 70 1HD LYS 70 -0.419 22.300 4.888 583 2HD LYS 70 2HD LYS 70 -0.697 22.937 3.267 584 1HE LYS 70 1HE LYS 70 -3.184 22.063 3.753 585 2HE LYS 70 2HE LYS 70 -2.675 22.348 5.429 586 1HZ LYS 70 1HZ LYS 70 -2.108 24.321 3.306 587 2HZ LYS 70 2HZ LYS 70 -2.159 24.555 4.988 588 3HZ LYS 70 3HZ LYS 70 -3.599 24.327 4.115 589 H THR 71 H THR 71 -2.313 18.729 0.945 590 HA THR 71 HA THR 71 -2.626 16.935 3.258 591 HB THR 71 HB THR 71 -4.881 16.680 2.324 592 HG1 THR 71 HG1 THR 71 -3.556 17.593 0.062 593 1HG2 THR 71 1HG2 THR 71 -3.604 19.349 2.563 594 2HG2 THR 71 2HG2 THR 71 -4.975 18.673 3.444 595 3HG2 THR 71 3HG2 THR 71 -5.201 19.315 1.816 596 H ILE 72 H ILE 72 -1.922 16.710 -0.183 597 HA ILE 72 HA ILE 72 -2.097 13.745 -0.135 598 HB ILE 72 HB ILE 72 -1.608 15.857 -2.251 599 1HG1 ILE 72 1HG1 ILE 72 -3.855 13.854 -2.127 600 2HG1 ILE 72 2HG1 ILE 72 -3.932 15.339 -1.176 601 1HG2 ILE 72 1HG2 ILE 72 -2.025 12.934 -2.839 602 2HG2 ILE 72 2HG2 ILE 72 -0.403 13.558 -2.545 603 3HG2 ILE 72 3HG2 ILE 72 -1.360 14.188 -3.885 604 1HD1 ILE 72 1HD1 ILE 72 -4.808 16.254 -3.061 605 2HD1 ILE 72 2HD1 ILE 72 -4.190 14.959 -4.087 606 3HD1 ILE 72 3HD1 ILE 72 -3.136 16.295 -3.620 607 H THR 73 H THR 73 -0.278 12.706 0.616 608 HA THR 73 HA THR 73 2.379 14.007 0.326 609 HB THR 73 HB THR 73 1.650 11.400 1.682 610 HG1 THR 73 HG1 THR 73 1.754 13.241 3.483 611 1HG2 THR 73 1HG2 THR 73 3.545 12.470 3.211 612 2HG2 THR 73 2HG2 THR 73 3.937 13.326 1.720 613 3HG2 THR 73 3HG2 THR 73 3.957 11.563 1.756 614 H VAL 74 H VAL 74 4.062 13.021 -0.886 615 HA VAL 74 HA VAL 74 3.422 10.483 -2.321 616 HB VAL 74 HB VAL 74 2.645 12.371 -3.699 617 1HG1 VAL 74 1HG1 VAL 74 4.668 13.783 -2.556 618 2HG1 VAL 74 2HG1 VAL 74 3.862 14.276 -4.046 619 3HG1 VAL 74 3HG1 VAL 74 5.394 13.403 -4.118 620 1HG2 VAL 74 1HG2 VAL 74 4.208 11.976 -5.687 621 2HG2 VAL 74 2HG2 VAL 74 3.501 10.530 -4.968 622 3HG2 VAL 74 3HG2 VAL 74 5.170 10.969 -4.606 623 H SER 75 H SER 75 5.306 9.413 -3.146 624 HA SER 75 HA SER 75 7.956 10.543 -2.345 625 1HB SER 75 1HB SER 75 6.497 8.583 -0.955 626 2HB SER 75 2HB SER 75 7.719 7.684 -1.849 627 HG SER 75 HG SER 75 9.274 9.137 -0.965 628 H THR 76 H THR 76 9.693 8.786 -3.207 629 HA THR 76 HA THR 76 8.939 8.250 -6.055 630 HB THR 76 HB THR 76 11.347 8.442 -6.447 631 HG1 THR 76 HG1 THR 76 12.055 7.477 -4.533 632 1HG2 THR 76 1HG2 THR 76 9.793 10.511 -5.057 633 2HG2 THR 76 2HG2 THR 76 10.756 10.626 -6.530 634 3HG2 THR 76 3HG2 THR 76 11.537 10.751 -4.954 635 H GLY 77 H GLY 77 9.930 6.253 -7.019 636 1HA GLY 77 1HA GLY 77 10.919 4.159 -5.265 637 2HA GLY 77 2HA GLY 77 9.248 3.880 -5.759 638 H PHE 78 H PHE 78 10.693 1.945 -6.692 639 HA PHE 78 HA PHE 78 11.046 2.562 -9.583 640 1HB PHE 78 1HB PHE 78 13.126 1.415 -7.699 641 2HB PHE 78 2HB PHE 78 13.263 1.321 -9.455 642 HD1 PHE 78 HD1 PHE 78 13.710 3.395 -6.535 643 HD2 PHE 78 HD2 PHE 78 13.217 3.489 -10.803 644 HE1 PHE 78 HE1 PHE 78 14.611 5.704 -6.588 645 HE2 PHE 78 HE2 PHE 78 14.119 5.799 -10.855 646 HZ PHE 78 HZ PHE 78 14.816 6.908 -8.747 647 H MET 79 H MET 79 10.572 0.767 -10.891 648 HA MET 79 HA MET 79 9.701 -1.713 -9.443 649 1HB MET 79 1HB MET 79 8.746 -0.330 -11.968 650 2HB MET 79 2HB MET 79 8.179 -1.923 -11.464 651 1HG MET 79 1HG MET 79 7.410 -0.959 -9.316 652 2HG MET 79 2HG MET 79 7.942 0.634 -9.851 653 1HE MET 79 1HE MET 79 6.265 -2.338 -11.817 654 2HE MET 79 2HE MET 79 5.558 -2.292 -10.204 655 3HE MET 79 3HE MET 79 4.565 -1.924 -11.621 656 H SER 80 H SER 80 9.785 -3.689 -11.001 657 HA SER 80 HA SER 80 12.206 -3.533 -12.762 658 1HB SER 80 1HB SER 80 12.377 -4.507 -10.325 659 2HB SER 80 2HB SER 80 11.580 -5.911 -11.029 660 HG SER 80 HG SER 80 13.797 -4.745 -12.310 661 H ILE 81 H ILE 81 11.117 -3.759 -14.739 662 HA ILE 81 HA ILE 81 9.841 -6.391 -15.234 663 HB ILE 81 HB ILE 81 7.977 -4.924 -16.425 664 1HG1 ILE 81 1HG1 ILE 81 8.717 -3.116 -14.116 665 2HG1 ILE 81 2HG1 ILE 81 9.289 -2.811 -15.757 666 1HG2 ILE 81 1HG2 ILE 81 7.547 -6.520 -14.618 667 2HG2 ILE 81 2HG2 ILE 81 6.647 -5.030 -14.327 668 3HG2 ILE 81 3HG2 ILE 81 8.129 -5.356 -13.427 669 1HD1 ILE 81 1HD1 ILE 81 6.695 -3.178 -16.311 670 2HD1 ILE 81 2HD1 ILE 81 7.332 -1.601 -15.840 671 3HD1 ILE 81 3HD1 ILE 81 6.528 -2.621 -14.646 672 1H MET 1 1H MET 1 17.075 -1.785 -0.437 673 2H MET 1 2H MET 1 16.198 -2.376 0.894 674 3H MET 1 3H MET 1 16.779 -0.779 0.898 675 HA MET 1 HA MET 1 14.895 -0.062 -0.024 676 1HB MET 1 1HB MET 1 15.824 -2.081 -2.081 677 2HB MET 1 2HB MET 1 14.426 -1.039 -2.354 678 1HG MET 1 1HG MET 1 15.818 0.953 -2.022 679 2HG MET 1 2HG MET 1 17.218 -0.065 -1.688 680 1HE MET 1 1HE MET 1 15.219 1.593 -4.941 681 2HE MET 1 2HE MET 1 14.687 -0.022 -5.402 682 3HE MET 1 3HE MET 1 14.355 0.591 -3.777 683 H THR 2 H THR 2 12.634 -0.541 -0.038 684 HA THR 2 HA THR 2 11.817 -2.889 1.435 685 HB THR 2 HB THR 2 9.519 -1.879 0.523 686 HG1 THR 2 HG1 THR 2 9.931 0.381 0.099 687 1HG2 THR 2 1HG2 THR 2 10.978 -1.625 2.805 688 2HG2 THR 2 2HG2 THR 2 9.428 -0.826 2.543 689 3HG2 THR 2 3HG2 THR 2 10.931 0.052 2.263 690 HA PRO 3 HA PRO 3 11.139 -5.376 -2.151 691 1HB PRO 3 1HB PRO 3 10.248 -7.631 -0.885 692 2HB PRO 3 2HB PRO 3 11.951 -7.132 -0.883 693 1HG PRO 3 1HG PRO 3 9.877 -6.786 1.225 694 2HG PRO 3 2HG PRO 3 11.589 -7.211 1.384 695 1HD PRO 3 1HD PRO 3 10.634 -4.716 1.856 696 2HD PRO 3 2HD PRO 3 12.279 -5.030 1.262 697 H ILE 4 H ILE 4 9.393 -5.668 -3.520 698 HA ILE 4 HA ILE 4 6.645 -5.831 -2.360 699 HB ILE 4 HB ILE 4 5.985 -4.062 -4.050 700 1HG1 ILE 4 1HG1 ILE 4 8.574 -2.854 -4.299 701 2HG1 ILE 4 2HG1 ILE 4 8.671 -4.515 -4.885 702 1HG2 ILE 4 1HG2 ILE 4 6.070 -2.970 -2.058 703 2HG2 ILE 4 2HG2 ILE 4 7.557 -2.272 -2.701 704 3HG2 ILE 4 3HG2 ILE 4 7.630 -3.670 -1.631 705 1HD1 ILE 4 1HD1 ILE 4 6.236 -3.544 -5.880 706 2HD1 ILE 4 2HD1 ILE 4 7.719 -3.800 -6.799 707 3HD1 ILE 4 3HD1 ILE 4 7.376 -2.217 -6.101 708 H VAL 5 H VAL 5 5.057 -6.169 -4.348 709 HA VAL 5 HA VAL 5 6.357 -7.677 -6.559 710 HB VAL 5 HB VAL 5 5.916 -9.218 -4.637 711 1HG1 VAL 5 1HG1 VAL 5 3.482 -9.744 -4.199 712 2HG1 VAL 5 2HG1 VAL 5 3.070 -8.303 -5.129 713 3HG1 VAL 5 3HG1 VAL 5 3.997 -8.153 -3.636 714 1HG2 VAL 5 1HG2 VAL 5 5.172 -9.515 -7.359 715 2HG2 VAL 5 2HG2 VAL 5 3.909 -10.293 -6.404 716 3HG2 VAL 5 3HG2 VAL 5 5.590 -10.792 -6.217 717 H HIS 6 H HIS 6 4.944 -7.943 -8.389 718 HA HIS 6 HA HIS 6 2.363 -6.421 -8.270 719 1HB HIS 6 1HB HIS 6 4.849 -5.892 -9.710 720 2HB HIS 6 2HB HIS 6 3.474 -6.020 -10.808 721 HD1 HIS 6 HD1 HIS 6 2.843 -3.640 -11.277 722 HD2 HIS 6 HD2 HIS 6 3.478 -4.299 -7.211 723 HE1 HIS 6 HE1 HIS 6 2.187 -1.500 -10.094 724 H LEU 7 H LEU 7 0.901 -8.096 -8.626 725 HA LEU 7 HA LEU 7 1.510 -9.966 -10.889 726 1HB LEU 7 1HB LEU 7 0.442 -11.678 -9.613 727 2HB LEU 7 2HB LEU 7 1.464 -10.811 -8.466 728 HG LEU 7 HG LEU 7 -0.752 -9.336 -8.196 729 1HD1 LEU 7 1HD1 LEU 7 -2.720 -10.367 -8.752 730 2HD1 LEU 7 2HD1 LEU 7 -2.082 -11.981 -8.442 731 3HD1 LEU 7 3HD1 LEU 7 -1.706 -11.160 -9.957 732 1HD2 LEU 7 1HD2 LEU 7 -1.260 -11.660 -6.627 733 2HD2 LEU 7 2HD2 LEU 7 -0.442 -10.178 -6.129 734 3HD2 LEU 7 3HD2 LEU 7 0.490 -11.517 -6.799 735 H LYS 8 H LYS 8 -0.441 -10.751 -12.048 736 HA LYS 8 HA LYS 8 -2.810 -8.935 -11.841 737 1HB LYS 8 1HB LYS 8 -2.632 -8.400 -14.150 738 2HB LYS 8 2HB LYS 8 -0.970 -8.320 -13.566 739 1HG LYS 8 1HG LYS 8 -0.679 -10.715 -14.290 740 2HG LYS 8 2HG LYS 8 -2.269 -10.618 -15.048 741 1HD LYS 8 1HD LYS 8 -1.422 -8.612 -16.341 742 2HD LYS 8 2HD LYS 8 0.188 -8.986 -15.725 743 1HE LYS 8 1HE LYS 8 -0.313 -11.402 -16.644 744 2HE LYS 8 2HE LYS 8 -1.503 -10.557 -17.654 745 1HZ LYS 8 1HZ LYS 8 1.234 -9.499 -17.348 746 2HZ LYS 8 2HZ LYS 8 0.113 -9.212 -18.591 747 3HZ LYS 8 3HZ LYS 8 0.911 -10.708 -18.491 748 H GLY 9 H GLY 9 -4.691 -9.860 -13.121 749 1HA GLY 9 1HA GLY 9 -4.842 -12.384 -14.285 750 2HA GLY 9 2HA GLY 9 -4.996 -12.688 -12.553 751 H ASP 10 H ASP 10 -7.169 -13.411 -13.826 752 HA ASP 10 HA ASP 10 -9.111 -11.404 -14.473 753 1HB ASP 10 1HB ASP 10 -8.944 -14.016 -14.845 754 2HB ASP 10 2HB ASP 10 -9.804 -14.086 -13.306 755 H ALA 11 H ALA 11 -10.499 -10.248 -13.155 756 HA ALA 11 HA ALA 11 -10.023 -9.760 -10.439 757 1HB ALA 11 1HB ALA 11 -11.949 -9.143 -12.463 758 2HB ALA 11 2HB ALA 11 -12.828 -9.545 -10.987 759 3HB ALA 11 3HB ALA 11 -11.623 -8.258 -10.973 760 H ASN 12 H ASN 12 -11.737 -12.432 -11.919 761 HA ASN 12 HA ASN 12 -13.082 -13.288 -9.461 762 1HB ASN 12 1HB ASN 12 -12.550 -14.655 -12.120 763 2HB ASN 12 2HB ASN 12 -13.700 -15.207 -10.902 764 1HD2 ASN 12 1HD2 ASN 12 -13.667 -13.624 -13.780 765 2HD2 ASN 12 2HD2 ASN 12 -14.992 -12.584 -13.569 766 H THR 13 H THR 13 -10.384 -14.590 -11.439 767 HA THR 13 HA THR 13 -9.661 -16.732 -9.724 768 HB THR 13 HB THR 13 -7.815 -14.993 -11.387 769 HG1 THR 13 HG1 THR 13 -9.060 -17.235 -12.448 770 1HG2 THR 13 1HG2 THR 13 -7.807 -17.966 -10.799 771 2HG2 THR 13 2HG2 THR 13 -6.779 -16.779 -9.998 772 3HG2 THR 13 3HG2 THR 13 -6.596 -17.080 -11.726 773 H LEU 14 H LEU 14 -9.328 -13.329 -9.285 774 HA LEU 14 HA LEU 14 -7.118 -13.567 -7.330 775 1HB LEU 14 1HB LEU 14 -8.793 -11.307 -8.454 776 2HB LEU 14 2HB LEU 14 -7.538 -11.057 -7.238 777 HG LEU 14 HG LEU 14 -6.865 -12.595 -9.723 778 1HD1 LEU 14 1HD1 LEU 14 -6.304 -9.710 -9.848 779 2HD1 LEU 14 2HD1 LEU 14 -8.022 -10.101 -9.935 780 3HD1 LEU 14 3HD1 LEU 14 -6.900 -10.795 -11.105 781 1HD2 LEU 14 1HD2 LEU 14 -5.087 -10.547 -8.515 782 2HD2 LEU 14 2HD2 LEU 14 -4.709 -12.177 -9.074 783 3HD2 LEU 14 3HD2 LEU 14 -5.455 -11.937 -7.495 784 H LYS 15 H LYS 15 -10.616 -13.179 -7.412 785 HA LYS 15 HA LYS 15 -11.078 -12.244 -4.766 786 1HB LYS 15 1HB LYS 15 -12.662 -12.509 -6.748 787 2HB LYS 15 2HB LYS 15 -12.759 -14.220 -6.329 788 1HG LYS 15 1HG LYS 15 -13.839 -13.801 -4.301 789 2HG LYS 15 2HG LYS 15 -13.242 -12.144 -4.212 790 1HD LYS 15 1HD LYS 15 -15.024 -12.884 -6.499 791 2HD LYS 15 2HD LYS 15 -15.756 -12.646 -4.912 792 1HE LYS 15 1HE LYS 15 -14.599 -10.408 -4.781 793 2HE LYS 15 2HE LYS 15 -14.087 -10.640 -6.464 794 1HZ LYS 15 1HZ LYS 15 -16.418 -9.549 -5.822 795 2HZ LYS 15 2HZ LYS 15 -16.884 -11.183 -5.865 796 3HZ LYS 15 3HZ LYS 15 -16.189 -10.458 -7.236 797 H CYS 16 H CYS 16 -10.954 -15.613 -5.991 798 HA CYS 16 HA CYS 16 -11.330 -16.834 -3.403 799 1HB CYS 16 1HB CYS 16 -11.753 -17.802 -5.701 800 2HB CYS 16 2HB CYS 16 -10.006 -17.955 -5.888 801 HG CYS 16 HG CYS 16 -11.125 -20.187 -4.861 802 H LEU 17 H LEU 17 -8.448 -15.915 -5.267 803 HA LEU 17 HA LEU 17 -6.473 -17.301 -3.776 804 1HB LEU 17 1HB LEU 17 -6.708 -15.069 -5.654 805 2HB LEU 17 2HB LEU 17 -5.358 -14.866 -4.538 806 HG LEU 17 HG LEU 17 -4.450 -17.026 -5.139 807 1HD1 LEU 17 1HD1 LEU 17 -5.792 -18.105 -7.205 808 2HD1 LEU 17 2HD1 LEU 17 -7.146 -17.345 -6.368 809 3HD1 LEU 17 3HD1 LEU 17 -6.144 -18.531 -5.530 810 1HD2 LEU 17 1HD2 LEU 17 -3.502 -15.883 -6.841 811 2HD2 LEU 17 2HD2 LEU 17 -4.968 -14.934 -7.093 812 3HD2 LEU 17 3HD2 LEU 17 -4.788 -16.504 -7.876 813 H ARG 18 H ARG 18 -7.758 -14.000 -3.285 814 HA ARG 18 HA ARG 18 -6.236 -13.139 -1.119 815 1HB ARG 18 1HB ARG 18 -8.014 -11.879 -2.323 816 2HB ARG 18 2HB ARG 18 -9.233 -12.854 -1.499 817 1HG ARG 18 1HG ARG 18 -8.354 -12.066 0.688 818 2HG ARG 18 2HG ARG 18 -7.197 -11.043 -0.165 819 1HD ARG 18 1HD ARG 18 -8.997 -9.748 -1.171 820 2HD ARG 18 2HD ARG 18 -10.214 -10.842 -0.483 821 HE ARG 18 HE ARG 18 -8.750 -8.790 0.989 822 1HH1 ARG 18 1HH1 ARG 18 -11.360 -10.832 1.086 823 2HH1 ARG 18 2HH1 ARG 18 -11.270 -11.181 2.781 824 1HH2 ARG 18 1HH2 ARG 18 -8.176 -9.672 3.201 825 2HH2 ARG 18 2HH2 ARG 18 -9.469 -10.524 3.977 826 H TYR 19 H TYR 19 -8.869 -15.511 -1.104 827 HA TYR 19 HA TYR 19 -9.264 -15.644 1.730 828 1HB TYR 19 1HB TYR 19 -10.717 -16.570 -0.114 829 2HB TYR 19 2HB TYR 19 -9.522 -17.847 -0.341 830 HD1 TYR 19 HD1 TYR 19 -11.771 -16.296 2.207 831 HD2 TYR 19 HD2 TYR 19 -9.510 -19.761 1.047 832 HE1 TYR 19 HE1 TYR 19 -12.788 -17.583 4.068 833 HE2 TYR 19 HE2 TYR 19 -10.526 -21.047 2.909 834 HH TYR 19 HH TYR 19 -11.653 -20.780 4.925 835 H ARG 20 H ARG 20 -6.787 -16.946 -0.368 836 HA ARG 20 HA ARG 20 -5.804 -18.959 1.492 837 1HB ARG 20 1HB ARG 20 -4.538 -17.534 -0.876 838 2HB ARG 20 2HB ARG 20 -3.923 -19.009 -0.128 839 1HG ARG 20 1HG ARG 20 -6.043 -20.162 -0.671 840 2HG ARG 20 2HG ARG 20 -6.633 -18.694 -1.451 841 1HD ARG 20 1HD ARG 20 -4.764 -18.789 -3.068 842 2HD ARG 20 2HD ARG 20 -4.174 -20.273 -2.291 843 HE ARG 20 HE ARG 20 -6.999 -20.373 -3.069 844 1HH1 ARG 20 1HH2 ARG 20 -4.561 -19.954 -5.170 845 2HH1 ARG 20 2HH2 ARG 20 -4.560 -21.551 -5.843 846 1HH2 ARG 20 1HH1 ARG 20 -6.650 -22.865 -3.407 847 2HH2 ARG 20 2HH1 ARG 20 -5.744 -23.199 -4.845 848 H PHE 21 H PHE 21 -5.140 -15.553 0.834 849 HA PHE 21 HA PHE 21 -2.717 -15.317 2.365 850 1HB PHE 21 1HB PHE 21 -4.880 -13.262 1.806 851 2HB PHE 21 2HB PHE 21 -3.181 -12.935 2.147 852 HD1 PHE 21 HD1 PHE 21 -2.567 -15.668 0.433 853 HD2 PHE 21 HD2 PHE 21 -4.464 -11.883 -0.305 854 HE1 PHE 21 HE1 PHE 21 -2.041 -15.874 -1.982 855 HE2 PHE 21 HE2 PHE 21 -3.938 -12.090 -2.720 856 HZ PHE 21 HZ PHE 21 -2.727 -14.086 -3.559 857 H LYS 22 H LYS 22 -5.903 -15.951 3.346 858 HA LYS 22 HA LYS 22 -6.127 -14.430 5.759 859 1HB LYS 22 1HB LYS 22 -7.208 -17.086 4.791 860 2HB LYS 22 2HB LYS 22 -7.695 -16.384 6.335 861 1HG LYS 22 1HG LYS 22 -7.936 -14.993 3.652 862 2HG LYS 22 2HG LYS 22 -9.264 -15.790 4.494 863 1HD LYS 22 1HD LYS 22 -8.802 -14.274 6.466 864 2HD LYS 22 2HD LYS 22 -7.678 -13.387 5.435 865 1HE LYS 22 1HE LYS 22 -9.369 -12.477 4.144 866 2HE LYS 22 2HE LYS 22 -10.436 -13.877 4.375 867 1HZ LYS 22 1HZ LYS 22 -10.706 -13.255 6.692 868 2HZ LYS 22 2HZ LYS 22 -11.191 -11.976 5.683 869 3HZ LYS 22 3HZ LYS 22 -9.691 -11.912 6.478 870 H LYS 23 H LYS 23 -4.957 -17.781 5.234 871 HA LYS 23 HA LYS 23 -4.093 -18.098 7.997 872 1HB LYS 23 1HB LYS 23 -3.405 -19.613 5.454 873 2HB LYS 23 2HB LYS 23 -3.177 -20.206 7.100 874 1HG LYS 23 1HG LYS 23 -5.885 -19.317 6.104 875 2HG LYS 23 2HG LYS 23 -5.311 -20.967 5.865 876 1HD LYS 23 1HD LYS 23 -4.761 -20.776 8.464 877 2HD LYS 23 2HD LYS 23 -6.041 -19.563 8.401 878 1HE LYS 23 1HE LYS 23 -7.621 -21.181 8.300 879 2HE LYS 23 2HE LYS 23 -6.825 -21.914 6.892 880 1HZ LYS 23 1HZ LYS 23 -6.649 -23.509 8.590 881 2HZ LYS 23 2HZ LYS 23 -6.230 -22.353 9.761 882 3HZ LYS 23 3HZ LYS 23 -5.125 -22.766 8.538 883 H HIS 24 H HIS 24 -2.663 -16.902 5.033 884 HA HIS 24 HA HIS 24 0.074 -16.930 6.187 885 1HB HIS 24 1HB HIS 24 -1.106 -16.165 3.497 886 2HB HIS 24 2HB HIS 24 0.618 -16.114 3.866 887 HD1 HIS 24 HD1 HIS 24 0.944 -18.009 2.027 888 HD2 HIS 24 HD2 HIS 24 -1.287 -19.156 5.357 889 HE1 HIS 24 HE1 HIS 24 0.825 -20.538 1.973 890 H CYS 25 H CYS 25 -2.126 -15.148 7.239 891 HA CYS 25 HA CYS 25 -1.880 -12.464 6.373 892 1HB CYS 25 1HB CYS 25 -2.624 -11.997 8.741 893 2HB CYS 25 2HB CYS 25 -3.585 -13.226 7.921 894 HG CYS 25 HG CYS 25 -1.241 -14.188 9.727 895 H THR 26 H THR 26 0.377 -14.468 8.086 896 HA THR 26 HA THR 26 1.963 -12.130 9.019 897 HB THR 26 HB THR 26 1.408 -14.217 10.392 898 HG1 THR 26 HG1 THR 26 3.498 -14.256 11.264 899 1HG2 THR 26 1HG2 THR 26 1.857 -15.764 8.432 900 2HG2 THR 26 2HG2 THR 26 2.626 -16.238 9.947 901 3HG2 THR 26 3HG2 THR 26 3.575 -15.457 8.683 902 H LEU 27 H LEU 27 1.630 -13.559 6.132 903 HA LEU 27 HA LEU 27 4.495 -14.026 5.542 904 1HB LEU 27 1HB LEU 27 1.847 -14.619 4.369 905 2HB LEU 27 2HB LEU 27 3.114 -14.281 3.190 906 HG LEU 27 HG LEU 27 4.567 -15.923 4.530 907 1HD1 LEU 27 1HD1 LEU 27 3.530 -16.380 6.532 908 2HD1 LEU 27 2HD1 LEU 27 2.820 -17.676 5.571 909 3HD1 LEU 27 3HD1 LEU 27 1.911 -16.193 5.857 910 1HD2 LEU 27 1HD2 LEU 27 2.087 -17.008 3.156 911 2HD2 LEU 27 2HD2 LEU 27 3.628 -17.846 3.343 912 3HD2 LEU 27 3HD2 LEU 27 3.521 -16.415 2.318 913 H TYR 28 H TYR 28 1.928 -11.666 4.810 914 HA TYR 28 HA TYR 28 3.983 -10.024 3.371 915 1HB TYR 28 1HB TYR 28 1.966 -9.069 2.215 916 2HB TYR 28 2HB TYR 28 2.177 -10.798 1.935 917 HD1 TYR 28 HD1 TYR 28 0.713 -12.445 3.030 918 HD2 TYR 28 HD2 TYR 28 0.146 -8.223 3.593 919 HE1 TYR 28 HE1 TYR 28 -1.545 -12.874 3.965 920 HE2 TYR 28 HE2 TYR 28 -2.112 -8.651 4.530 921 HH TYR 28 HH TYR 28 -3.535 -10.220 5.250 922 H THR 29 H THR 29 3.491 -7.605 3.564 923 HA THR 29 HA THR 29 2.857 -6.981 6.406 924 HB THR 29 HB THR 29 4.011 -5.128 4.323 925 HG1 THR 29 HG1 THR 29 5.909 -6.097 4.487 926 1HG2 THR 29 1HG2 THR 29 5.084 -5.243 7.062 927 2HG2 THR 29 2HG2 THR 29 3.383 -4.790 6.972 928 3HG2 THR 29 3HG2 THR 29 4.592 -3.847 6.103 929 H ALA 30 H ALA 30 1.810 -6.247 3.102 930 HA ALA 30 HA ALA 30 -0.730 -5.173 4.138 931 1HB ALA 30 1HB ALA 30 1.499 -3.492 3.648 932 2HB ALA 30 2HB ALA 30 0.369 -3.214 2.323 933 3HB ALA 30 3HB ALA 30 -0.158 -2.994 3.991 934 H VAL 31 H VAL 31 -2.159 -6.200 2.790 935 HA VAL 31 HA VAL 31 -1.374 -6.873 0.016 936 HB VAL 31 HB VAL 31 -2.502 -8.462 1.589 937 1HG1 VAL 31 1HG1 VAL 31 -3.968 -6.459 2.473 938 2HG1 VAL 31 2HG1 VAL 31 -4.646 -8.086 2.426 939 3HG1 VAL 31 3HG1 VAL 31 -5.048 -6.927 1.159 940 1HG2 VAL 31 1HG2 VAL 31 -4.542 -8.820 -0.124 941 2HG2 VAL 31 2HG2 VAL 31 -2.876 -9.195 -0.564 942 3HG2 VAL 31 3HG2 VAL 31 -3.599 -7.668 -1.069 943 H SER 32 H SER 32 -1.501 -4.979 -1.235 944 HA SER 32 HA SER 32 -3.268 -2.822 -1.010 945 1HB SER 32 1HB SER 32 -2.667 -2.397 -3.308 946 2HB SER 32 2HB SER 32 -1.279 -3.174 -2.551 947 HG SER 32 HG SER 32 -3.012 -4.091 -4.504 948 H SER 33 H SER 33 -5.316 -2.347 -2.006 949 HA SER 33 HA SER 33 -7.276 -4.412 -1.964 950 1HB SER 33 1HB SER 33 -8.728 -2.651 -2.802 951 2HB SER 33 2HB SER 33 -7.586 -1.938 -1.665 952 HG SER 33 HG SER 33 -7.334 -0.642 -3.345 953 H THR 34 H THR 34 -7.318 -2.573 -4.878 954 HA THR 34 HA THR 34 -6.163 -4.563 -6.654 955 HB THR 34 HB THR 34 -9.127 -4.510 -6.065 956 HG1 THR 34 HG1 THR 34 -8.538 -6.292 -5.161 957 1HG2 THR 34 1HG2 THR 34 -9.504 -5.819 -8.092 958 2HG2 THR 34 2HG2 THR 34 -7.792 -5.718 -8.504 959 3HG2 THR 34 3HG2 THR 34 -8.791 -4.264 -8.520 960 H TRP 35 H TRP 35 -5.570 -3.377 -8.403 961 HA TRP 35 HA TRP 35 -7.419 -1.312 -9.475 962 1HB TRP 35 1HB TRP 35 -5.556 0.340 -9.451 963 2HB TRP 35 2HB TRP 35 -5.982 -0.191 -7.824 964 HD1 TRP 35 HD1 TRP 35 -4.373 -2.126 -6.737 965 HE1 TRP 35 HE1 TRP 35 -1.839 -2.498 -7.034 966 HE3 TRP 35 HE3 TRP 35 -3.584 0.548 -11.015 967 HZ2 TRP 35 HZ2 TRP 35 0.248 -1.757 -8.847 968 HZ3 TRP 35 HZ3 TRP 35 -1.317 0.701 -12.004 969 HH2 TRP 35 HH2 TRP 35 0.598 -0.447 -10.927 970 H HIS 36 H HIS 36 -5.830 -0.243 -11.422 971 HA HIS 36 HA HIS 36 -4.301 -2.321 -12.823 972 1HB HIS 36 1HB HIS 36 -6.578 -3.069 -13.220 973 2HB HIS 36 2HB HIS 36 -7.072 -1.444 -13.691 974 HD1 HIS 36 HD1 HIS 36 -4.630 -4.142 -14.820 975 HD2 HIS 36 HD2 HIS 36 -6.798 -0.952 -16.398 976 HE1 HIS 36 HE1 HIS 36 -4.238 -4.179 -17.322 977 H TRP 37 H TRP 37 -3.687 -1.444 -15.097 978 HA TRP 37 HA TRP 37 -2.850 1.343 -14.817 979 1HB TRP 37 1HB TRP 37 -2.515 -0.911 -16.776 980 2HB TRP 37 2HB TRP 37 -1.999 0.714 -17.220 981 HD1 TRP 37 HD1 TRP 37 -0.344 -2.137 -16.199 982 HE1 TRP 37 HE1 TRP 37 1.629 -1.703 -14.598 983 HE3 TRP 37 HE3 TRP 37 -1.503 2.585 -14.623 984 HZ2 TRP 37 HZ2 TRP 37 2.589 0.369 -12.881 985 HZ3 TRP 37 HZ3 TRP 37 -0.042 3.764 -13.006 986 HH2 TRP 37 HH2 TRP 37 2.001 2.661 -12.133 987 H THR 38 H THR 38 -4.687 2.677 -14.983 988 HA THR 38 HA THR 38 -5.719 3.164 -17.660 989 HB THR 38 HB THR 38 -7.301 1.649 -15.587 990 HG1 THR 38 HG1 THR 38 -7.836 0.487 -17.524 991 1HG2 THR 38 1HG2 THR 38 -8.257 3.819 -17.280 992 2HG2 THR 38 2HG2 THR 38 -9.098 2.946 -15.998 993 3HG2 THR 38 3HG2 THR 38 -9.077 2.299 -17.638 994 H GLY 39 H GLY 39 -7.645 3.522 -14.720 995 1HA GLY 39 1HA GLY 39 -6.857 5.881 -13.597 996 2HA GLY 39 2HA GLY 39 -7.643 6.434 -15.077 997 H HIS 40 H HIS 40 -9.616 7.192 -14.494 998 HA HIS 40 HA HIS 40 -11.123 6.269 -12.216 999 1HB HIS 40 1HB HIS 40 -12.774 7.834 -13.072 1000 2HB HIS 40 2HB HIS 40 -11.174 8.530 -13.334 1001 HD1 HIS 40 HD1 HIS 40 -14.238 7.796 -15.090 1002 HD2 HIS 40 HD2 HIS 40 -10.203 7.872 -16.135 1003 HE1 HIS 40 HE1 HIS 40 -14.154 7.934 -17.617 1004 H ASN 41 H ASN 41 -11.322 5.595 -15.708 1005 HA ASN 41 HA ASN 41 -13.438 3.551 -15.141 1006 1HB ASN 41 1HB ASN 41 -13.931 5.436 -16.708 1007 2HB ASN 41 2HB ASN 41 -12.594 4.902 -17.727 1008 1HD2 ASN 41 1HD2 ASN 41 -15.638 3.623 -16.271 1009 2HD2 ASN 41 2HD2 ASN 41 -15.990 2.582 -17.565 1010 H VAL 42 H VAL 42 -12.103 1.751 -14.618 1011 HA VAL 42 HA VAL 42 -9.912 1.025 -16.491 1012 HB VAL 42 HB VAL 42 -10.861 -0.198 -13.881 1013 1HG1 VAL 42 1HG1 VAL 42 -9.352 -1.479 -15.625 1014 2HG1 VAL 42 2HG1 VAL 42 -8.933 -1.505 -13.912 1015 3HG1 VAL 42 3HG1 VAL 42 -8.089 -0.413 -15.010 1016 1HG2 VAL 42 1HG2 VAL 42 -9.899 2.306 -14.121 1017 2HG2 VAL 42 2HG2 VAL 42 -8.371 1.426 -14.083 1018 3HG2 VAL 42 3HG2 VAL 42 -9.509 1.277 -12.744 1019 H LYS 43 H LYS 43 -10.685 -0.062 -18.277 1020 HA LYS 43 HA LYS 43 -12.168 -2.582 -17.845 1021 1HB LYS 43 1HB LYS 43 -13.896 -1.771 -19.553 1022 2HB LYS 43 2HB LYS 43 -13.981 -1.014 -17.962 1023 1HG LYS 43 1HG LYS 43 -12.967 0.978 -18.721 1024 2HG LYS 43 2HG LYS 43 -12.338 0.206 -20.177 1025 1HD LYS 43 1HD LYS 43 -15.302 0.263 -19.755 1026 2HD LYS 43 2HD LYS 43 -14.497 1.735 -20.298 1027 1HE LYS 43 1HE LYS 43 -14.071 0.880 -22.375 1028 2HE LYS 43 2HE LYS 43 -13.679 -0.727 -21.730 1029 1HZ LYS 43 1HZ LYS 43 -16.343 0.452 -22.233 1030 2HZ LYS 43 2HZ LYS 43 -16.145 -0.830 -21.135 1031 3HZ LYS 43 3HZ LYS 43 -15.728 -1.035 -22.770 1032 H HIS 44 H HIS 44 -9.515 -1.978 -18.837 1033 HA HIS 44 HA HIS 44 -9.783 -2.603 -21.757 1034 1HB HIS 44 1HB HIS 44 -7.408 -1.557 -20.186 1035 2HB HIS 44 2HB HIS 44 -7.570 -1.614 -21.941 1036 HD1 HIS 44 HD1 HIS 44 -7.513 0.879 -19.624 1037 HD2 HIS 44 HD2 HIS 44 -10.477 -0.206 -22.345 1038 HE1 HIS 44 HE1 HIS 44 -8.976 2.922 -19.940 1039 H LYS 45 H LYS 45 -7.282 -3.201 -19.266 1040 HA LYS 45 HA LYS 45 -6.968 -5.966 -20.331 1041 1HB LYS 45 1HB LYS 45 -5.323 -3.895 -19.008 1042 2HB LYS 45 2HB LYS 45 -4.975 -5.545 -18.498 1043 1HG LYS 45 1HG LYS 45 -3.848 -5.904 -20.409 1044 2HG LYS 45 2HG LYS 45 -5.307 -5.550 -21.336 1045 1HD LYS 45 1HD LYS 45 -4.055 -3.818 -22.139 1046 2HD LYS 45 2HD LYS 45 -4.556 -3.033 -20.641 1047 1HE LYS 45 1HE LYS 45 -2.482 -3.953 -19.539 1048 2HE LYS 45 2HE LYS 45 -1.956 -4.523 -21.135 1049 1HZ LYS 45 1HZ LYS 45 -2.927 -1.799 -21.076 1050 2HZ LYS 45 2HZ LYS 45 -1.558 -2.447 -21.847 1051 3HZ LYS 45 3HZ LYS 45 -1.498 -2.045 -20.196 1052 H SER 46 H SER 46 -5.808 -7.026 -17.907 1053 HA SER 46 HA SER 46 -8.309 -7.515 -16.376 1054 1HB SER 46 1HB SER 46 -6.653 -9.243 -17.439 1055 2HB SER 46 2HB SER 46 -5.668 -8.912 -16.018 1056 HG SER 46 HG SER 46 -8.013 -9.235 -15.042 1057 H ALA 47 H ALA 47 -8.548 -6.829 -14.281 1058 HA ALA 47 HA ALA 47 -7.189 -4.792 -13.041 1059 1HB ALA 47 1HB ALA 47 -9.069 -5.402 -11.878 1060 2HB ALA 47 2HB ALA 47 -8.820 -7.120 -12.188 1061 3HB ALA 47 3HB ALA 47 -7.914 -6.314 -10.907 1062 H ILE 48 H ILE 48 -5.637 -4.835 -11.177 1063 HA ILE 48 HA ILE 48 -3.782 -7.178 -11.189 1064 HB ILE 48 HB ILE 48 -3.035 -4.260 -11.587 1065 1HG1 ILE 48 1HG1 ILE 48 -2.762 -6.531 -13.571 1066 2HG1 ILE 48 2HG1 ILE 48 -4.183 -5.483 -13.537 1067 1HG2 ILE 48 1HG2 ILE 48 -1.405 -5.800 -10.356 1068 2HG2 ILE 48 2HG2 ILE 48 -0.783 -5.013 -11.806 1069 3HG2 ILE 48 3HG2 ILE 48 -1.278 -6.705 -11.863 1070 1HD1 ILE 48 1HD1 ILE 48 -1.445 -4.249 -13.597 1071 2HD1 ILE 48 2HD1 ILE 48 -2.973 -3.598 -14.187 1072 3HD1 ILE 48 3HD1 ILE 48 -2.148 -4.868 -15.091 1073 H VAL 49 H VAL 49 -2.280 -7.088 -9.287 1074 HA VAL 49 HA VAL 49 -3.255 -5.305 -7.086 1075 HB VAL 49 HB VAL 49 -2.626 -8.249 -6.783 1076 1HG1 VAL 49 1HG1 VAL 49 -4.162 -7.884 -4.775 1077 2HG1 VAL 49 2HG1 VAL 49 -4.033 -6.158 -5.108 1078 3HG1 VAL 49 3HG1 VAL 49 -2.592 -7.085 -4.693 1079 1HG2 VAL 49 1HG2 VAL 49 -4.460 -8.387 -8.220 1080 2HG2 VAL 49 2HG2 VAL 49 -5.142 -6.861 -7.661 1081 3HG2 VAL 49 3HG2 VAL 49 -5.265 -8.303 -6.653 1082 H THR 50 H THR 50 -1.680 -5.346 -5.204 1083 HA THR 50 HA THR 50 1.114 -6.071 -5.940 1084 HB THR 50 HB THR 50 0.111 -3.312 -5.159 1085 HG1 THR 50 HG1 THR 50 -0.205 -3.565 -7.291 1086 1HG2 THR 50 1HG2 THR 50 2.182 -3.110 -4.261 1087 2HG2 THR 50 2HG2 THR 50 2.736 -3.053 -5.934 1088 3HG2 THR 50 3HG2 THR 50 2.762 -4.578 -5.048 1089 H LEU 51 H LEU 51 2.489 -6.233 -4.029 1090 HA LEU 51 HA LEU 51 1.058 -5.993 -1.411 1091 1HB LEU 51 1HB LEU 51 2.382 -8.349 -2.720 1092 2HB LEU 51 2HB LEU 51 2.387 -8.231 -0.960 1093 HG LEU 51 HG LEU 51 -0.240 -7.609 -2.012 1094 1HD1 LEU 51 1HD1 LEU 51 1.039 -9.458 -3.607 1095 2HD1 LEU 51 2HD1 LEU 51 -0.707 -9.353 -3.390 1096 3HD1 LEU 51 3HD1 LEU 51 0.235 -10.484 -2.420 1097 1HD2 LEU 51 1HD2 LEU 51 0.794 -9.867 -0.266 1098 2HD2 LEU 51 2HD2 LEU 51 -0.887 -9.352 -0.401 1099 3HD2 LEU 51 3HD2 LEU 51 0.311 -8.274 0.316 1100 H THR 52 H THR 52 2.345 -5.106 0.181 1101 HA THR 52 HA THR 52 5.141 -4.399 -0.549 1102 HB THR 52 HB THR 52 4.526 -3.231 1.880 1103 HG1 THR 52 HG1 THR 52 2.331 -2.474 1.417 1104 1HG2 THR 52 1HG2 THR 52 5.408 -2.181 -0.225 1105 2HG2 THR 52 2HG2 THR 52 4.178 -1.215 0.589 1106 3HG2 THR 52 3HG2 THR 52 3.756 -2.154 -0.843 1107 H TYR 53 H TYR 53 6.807 -5.587 0.279 1108 HA TYR 53 HA TYR 53 6.277 -7.337 2.652 1109 1HB TYR 53 1HB TYR 53 8.182 -7.414 0.303 1110 2HB TYR 53 2HB TYR 53 8.395 -8.465 1.703 1111 HD1 TYR 53 HD1 TYR 53 5.866 -7.437 -0.858 1112 HD2 TYR 53 HD2 TYR 53 7.196 -10.482 1.864 1113 HE1 TYR 53 HE1 TYR 53 4.176 -8.999 -1.781 1114 HE2 TYR 53 HE2 TYR 53 5.506 -12.046 0.942 1115 HH TYR 53 HH TYR 53 3.097 -10.975 -1.403 1116 H ASP 54 H ASP 54 7.758 -7.257 4.422 1117 HA ASP 54 HA ASP 54 9.383 -4.771 4.579 1118 1HB ASP 54 1HB ASP 54 8.031 -6.676 6.412 1119 2HB ASP 54 2HB ASP 54 9.521 -5.958 7.024 1120 H SER 55 H SER 55 9.780 -8.179 4.133 1121 HA SER 55 HA SER 55 12.743 -7.839 4.357 1122 1HB SER 55 1HB SER 55 11.244 -10.259 5.372 1123 2HB SER 55 2HB SER 55 12.908 -9.795 5.711 1124 HG SER 55 HG SER 55 10.496 -8.681 6.657 1125 H GLU 56 H GLU 56 13.706 -8.584 2.507 1126 HA GLU 56 HA GLU 56 12.345 -9.653 0.282 1127 1HB GLU 56 1HB GLU 56 15.101 -9.279 1.241 1128 2HB GLU 56 2HB GLU 56 14.935 -10.602 0.086 1129 1HG GLU 56 1HG GLU 56 13.779 -9.089 -1.485 1130 2HG GLU 56 2HG GLU 56 13.949 -7.765 -0.333 1131 H TRP 57 H TRP 57 14.087 -11.373 2.885 1132 HA TRP 57 HA TRP 57 13.930 -14.010 1.910 1133 1HB TRP 57 1HB TRP 57 15.105 -13.147 3.960 1134 2HB TRP 57 2HB TRP 57 13.537 -13.042 4.761 1135 HD1 TRP 57 HD1 TRP 57 13.359 -15.008 6.361 1136 HE1 TRP 57 HE1 TRP 57 13.811 -17.541 6.225 1137 HE3 TRP 57 HE3 TRP 57 15.354 -15.293 1.670 1138 HZ2 TRP 57 HZ2 TRP 57 14.877 -19.440 4.368 1139 HZ3 TRP 57 HZ3 TRP 57 16.079 -17.475 0.742 1140 HH2 TRP 57 HH2 TRP 57 15.843 -19.547 2.085 1141 H GLN 58 H GLN 58 11.542 -12.250 3.912 1142 HA GLN 58 HA GLN 58 9.590 -14.304 4.092 1143 1HB GLN 58 1HB GLN 58 9.791 -12.053 5.294 1144 2HB GLN 58 2HB GLN 58 9.080 -11.328 3.852 1145 1HG GLN 58 1HG GLN 58 7.136 -12.900 4.095 1146 2HG GLN 58 2HG GLN 58 7.826 -13.442 5.626 1147 1HE2 GLN 58 1HE2 GLN 58 5.666 -12.499 6.480 1148 2HE2 GLN 58 2HE2 GLN 58 5.636 -10.842 6.848 1149 H ARG 59 H ARG 59 10.193 -11.883 1.569 1150 HA ARG 59 HA ARG 59 7.833 -12.210 0.027 1151 1HB ARG 59 1HB ARG 59 9.490 -10.430 -0.268 1152 2HB ARG 59 2HB ARG 59 10.701 -11.612 -0.766 1153 1HG ARG 59 1HG ARG 59 8.130 -11.627 -2.264 1154 2HG ARG 59 2HG ARG 59 9.203 -10.254 -2.543 1155 1HD ARG 59 1HD ARG 59 10.988 -11.667 -3.277 1156 2HD ARG 59 2HD ARG 59 10.175 -13.125 -2.672 1157 HE ARG 59 HE ARG 59 8.305 -12.188 -4.394 1158 1HH1 ARG 59 1HH1 ARG 59 11.491 -13.355 -4.618 1159 2HH1 ARG 59 2HH1 ARG 59 11.580 -13.234 -6.343 1160 1HH2 ARG 59 1HH2 ARG 59 8.507 -11.661 -6.659 1161 2HH2 ARG 59 2HH2 ARG 59 9.892 -12.276 -7.498 1162 H ASP 60 H ASP 60 10.957 -13.957 -0.212 1163 HA ASP 60 HA ASP 60 10.288 -15.590 -2.447 1164 1HB ASP 60 1HB ASP 60 12.501 -15.129 -1.116 1165 2HB ASP 60 2HB ASP 60 12.000 -16.521 -0.155 1166 H GLN 61 H GLN 61 9.723 -16.082 1.036 1167 HA GLN 61 HA GLN 61 8.797 -18.793 0.860 1168 1HB GLN 61 1HB GLN 61 8.290 -16.509 2.791 1169 2HB GLN 61 2HB GLN 61 7.783 -18.170 3.099 1170 1HG GLN 61 1HG GLN 61 10.056 -18.959 3.056 1171 2HG GLN 61 2HG GLN 61 10.643 -17.402 2.469 1172 1HE2 GLN 61 1HE2 GLN 61 11.064 -15.762 4.022 1173 2HE2 GLN 61 2HE2 GLN 61 10.808 -15.962 5.688 1174 H PHE 62 H PHE 62 7.106 -15.669 0.649 1175 HA PHE 62 HA PHE 62 4.428 -16.557 0.695 1176 1HB PHE 62 1HB PHE 62 4.988 -14.231 0.794 1177 2HB PHE 62 2HB PHE 62 5.866 -14.309 -0.734 1178 HD1 PHE 62 HD1 PHE 62 2.557 -14.160 0.853 1179 HD2 PHE 62 HD2 PHE 62 4.667 -14.479 -2.877 1180 HE1 PHE 62 HE1 PHE 62 0.471 -13.617 -0.374 1181 HE2 PHE 62 HE2 PHE 62 2.581 -13.934 -4.104 1182 HZ PHE 62 HZ PHE 62 0.483 -13.504 -2.852 1183 H LEU 63 H LEU 63 6.207 -15.715 -2.298 1184 HA LEU 63 HA LEU 63 4.373 -16.920 -4.099 1185 1HB LEU 63 1HB LEU 63 6.242 -16.687 -5.684 1186 2HB LEU 63 2HB LEU 63 6.152 -15.273 -4.632 1187 HG LEU 63 HG LEU 63 7.814 -16.613 -3.119 1188 1HD1 LEU 63 1HD1 LEU 63 9.212 -17.792 -5.267 1189 2HD1 LEU 63 2HD1 LEU 63 7.539 -18.326 -5.433 1190 3HD1 LEU 63 3HD1 LEU 63 8.415 -18.626 -3.932 1191 1HD2 LEU 63 1HD2 LEU 63 8.578 -14.595 -4.086 1192 2HD2 LEU 63 2HD2 LEU 63 8.442 -15.229 -5.727 1193 3HD2 LEU 63 3HD2 LEU 63 9.730 -15.799 -4.667 1194 H SER 64 H SER 64 6.544 -18.445 -1.927 1195 HA SER 64 HA SER 64 6.885 -20.869 -3.591 1196 1HB SER 64 1HB SER 64 8.788 -20.284 -2.333 1197 2HB SER 64 2HB SER 64 7.832 -19.846 -0.921 1198 HG SER 64 HG SER 64 7.940 -22.479 -1.957 1199 H GLN 65 H GLN 65 4.833 -19.702 -1.002 1200 HA GLN 65 HA GLN 65 3.869 -22.437 -0.375 1201 1HB GLN 65 1HB GLN 65 3.094 -19.720 0.731 1202 2HB GLN 65 2HB GLN 65 2.749 -21.288 1.461 1203 1HG GLN 65 1HG GLN 65 5.601 -20.706 0.836 1204 2HG GLN 65 2HG GLN 65 4.882 -19.811 2.176 1205 1HE2 GLN 65 1HE2 GLN 65 4.893 -20.885 4.154 1206 2HE2 GLN 65 2HE2 GLN 65 5.048 -22.564 4.348 1207 H VAL 66 H VAL 66 2.838 -19.505 -2.045 1208 HA VAL 66 HA VAL 66 0.162 -20.760 -2.538 1209 HB VAL 66 HB VAL 66 -0.322 -18.320 -3.271 1210 1HG1 VAL 66 1HG1 VAL 66 0.345 -19.131 -0.434 1211 2HG1 VAL 66 2HG1 VAL 66 -1.235 -19.132 -1.217 1212 3HG1 VAL 66 3HG1 VAL 66 -0.447 -17.604 -0.824 1213 1HG2 VAL 66 1HG2 VAL 66 2.342 -17.996 -3.167 1214 2HG2 VAL 66 2HG2 VAL 66 1.959 -17.562 -1.501 1215 3HG2 VAL 66 3HG2 VAL 66 1.230 -16.669 -2.835 1216 H LYS 67 H LYS 67 1.419 -22.138 -4.167 1217 HA LYS 67 HA LYS 67 2.746 -21.226 -6.453 1218 1HB LYS 67 1HB LYS 67 2.272 -23.587 -5.645 1219 2HB LYS 67 2HB LYS 67 0.662 -23.427 -6.345 1220 1HG LYS 67 1HG LYS 67 1.798 -22.840 -8.541 1221 2HG LYS 67 2HG LYS 67 3.318 -23.329 -7.792 1222 1HD LYS 67 1HD LYS 67 2.606 -25.305 -8.847 1223 2HD LYS 67 2HD LYS 67 2.043 -25.523 -7.189 1224 1HE LYS 67 1HE LYS 67 0.032 -25.958 -8.212 1225 2HE LYS 67 2HE LYS 67 -0.085 -24.189 -8.291 1226 1HZ LYS 67 1HZ LYS 67 1.270 -25.848 -10.346 1227 2HZ LYS 67 2HZ LYS 67 0.938 -24.184 -10.427 1228 3HZ LYS 67 3HZ LYS 67 -0.333 -25.312 -10.485 1229 H ILE 68 H ILE 68 2.021 -19.541 -7.751 1230 HA ILE 68 HA ILE 68 -0.863 -19.132 -8.192 1231 HB ILE 68 HB ILE 68 1.713 -17.704 -8.505 1232 1HG1 ILE 68 1HG1 ILE 68 -0.898 -16.316 -8.200 1233 2HG1 ILE 68 2HG1 ILE 68 -0.455 -17.439 -6.914 1234 1HG2 ILE 68 1HG2 ILE 68 1.013 -17.702 -10.851 1235 2HG2 ILE 68 2HG2 ILE 68 0.782 -16.097 -10.159 1236 3HG2 ILE 68 3HG2 ILE 68 -0.601 -17.165 -10.391 1237 1HD1 ILE 68 1HD1 ILE 68 1.906 -16.061 -7.396 1238 2HD1 ILE 68 2HD1 ILE 68 0.790 -15.752 -6.066 1239 3HD1 ILE 68 3HD1 ILE 68 0.669 -14.814 -7.555 1240 HA PRO 69 HA PRO 69 -1.060 -21.547 -11.863 1241 1HB PRO 69 1HB PRO 69 -2.960 -20.142 -13.241 1242 2HB PRO 69 2HB PRO 69 -3.349 -21.220 -11.884 1243 1HG PRO 69 1HG PRO 69 -3.113 -18.256 -11.938 1244 2HG PRO 69 2HG PRO 69 -4.264 -19.282 -11.070 1245 1HD PRO 69 1HD PRO 69 -2.104 -18.118 -9.892 1246 2HD PRO 69 2HD PRO 69 -2.835 -19.633 -9.322 1247 H LYS 70 H LYS 70 -1.059 -20.994 -14.385 1248 HA LYS 70 HA LYS 70 1.232 -19.197 -14.826 1249 1HB LYS 70 1HB LYS 70 1.372 -20.333 -16.905 1250 2HB LYS 70 2HB LYS 70 0.769 -21.558 -15.788 1251 1HG LYS 70 1HG LYS 70 -1.590 -20.638 -16.537 1252 2HG LYS 70 2HG LYS 70 -0.693 -20.086 -17.952 1253 1HD LYS 70 1HD LYS 70 -0.095 -22.268 -18.583 1254 2HD LYS 70 2HD LYS 70 -0.395 -22.916 -16.970 1255 1HE LYS 70 1HE LYS 70 -2.879 -22.059 -17.489 1256 2HE LYS 70 2HE LYS 70 -2.341 -22.326 -19.159 1257 1HZ LYS 70 1HZ LYS 70 -1.788 -24.314 -17.046 1258 2HZ LYS 70 2HZ LYS 70 -1.821 -24.534 -18.731 1259 3HZ LYS 70 3HZ LYS 70 -3.270 -24.323 -17.871 1260 H THR 71 H THR 71 -2.061 -18.722 -14.656 1261 HA THR 71 HA THR 71 -2.353 -16.927 -16.969 1262 HB THR 71 HB THR 71 -4.620 -16.680 -16.065 1263 HG1 THR 71 HG1 THR 71 -3.330 -17.642 -13.792 1264 1HG2 THR 71 1HG2 THR 71 -3.334 -19.341 -16.305 1265 2HG2 THR 71 2HG2 THR 71 -4.714 -18.673 -17.177 1266 3HG2 THR 71 3HG2 THR 71 -4.929 -19.321 -15.551 1267 H ILE 72 H ILE 72 -1.687 -16.701 -13.521 1268 HA ILE 72 HA ILE 72 -1.881 -13.738 -13.570 1269 HB ILE 72 HB ILE 72 -1.402 -15.844 -11.443 1270 1HG1 ILE 72 1HG1 ILE 72 -3.654 -13.848 -11.579 1271 2HG1 ILE 72 2HG1 ILE 72 -3.719 -15.323 -12.544 1272 1HG2 ILE 72 1HG2 ILE 72 -1.827 -12.915 -10.875 1273 2HG2 ILE 72 2HG2 ILE 72 -0.202 -13.545 -11.143 1274 3HG2 ILE 72 3HG2 ILE 72 -1.180 -14.164 -9.812 1275 1HD1 ILE 72 1HD1 ILE 72 -4.613 -16.258 -10.676 1276 2HD1 ILE 72 2HD1 ILE 72 -4.008 -14.972 -9.631 1277 3HD1 ILE 72 3HD1 ILE 72 -2.947 -16.301 -10.099 1278 H THR 73 H THR 73 -0.059 -12.687 -14.302 1279 HA THR 73 HA THR 73 2.603 -13.969 -13.983 1280 HB THR 73 HB THR 73 1.882 -11.357 -15.333 1281 HG1 THR 73 HG1 THR 73 2.004 -13.273 -17.107 1282 1HG2 THR 73 1HG2 THR 73 3.774 -12.421 -16.866 1283 2HG2 THR 73 2HG2 THR 73 4.161 -13.298 -15.385 1284 3HG2 THR 73 3HG2 THR 73 4.189 -11.535 -15.398 1285 H VAL 74 H VAL 74 4.268 -12.972 -12.750 1286 HA VAL 74 HA VAL 74 3.600 -10.443 -11.313 1287 HB VAL 74 HB VAL 74 2.821 -12.341 -9.950 1288 1HG1 VAL 74 1HG1 VAL 74 4.854 -13.739 -11.079 1289 2HG1 VAL 74 2HG1 VAL 74 4.051 -14.236 -9.589 1290 3HG1 VAL 74 3HG1 VAL 74 5.576 -13.353 -9.518 1291 1HG2 VAL 74 1HG2 VAL 74 4.358 -11.943 -7.944 1292 2HG2 VAL 74 2HG2 VAL 74 3.647 -10.498 -8.665 1293 3HG2 VAL 74 3HG2 VAL 74 5.325 -10.923 -9.009 1294 H SER 75 H SER 75 5.472 -9.364 -10.468 1295 HA SER 75 HA SER 75 8.135 -10.484 -11.238 1296 1HB SER 75 1HB SER 75 6.688 -8.534 -12.653 1297 2HB SER 75 2HB SER 75 7.896 -7.629 -11.749 1298 HG SER 75 HG SER 75 9.465 -9.084 -12.605 1299 H THR 76 H THR 76 9.856 -8.723 -10.362 1300 HA THR 76 HA THR 76 9.063 -8.175 -7.529 1301 HB THR 76 HB THR 76 11.467 -8.347 -7.104 1302 HG1 THR 76 HG1 THR 76 12.191 -7.395 -9.021 1303 1HG2 THR 76 1HG2 THR 76 9.944 -10.438 -8.496 1304 2HG2 THR 76 2HG2 THR 76 10.879 -10.531 -7.004 1305 3HG2 THR 76 3HG2 THR 76 11.692 -10.670 -8.562 1306 H GLY 77 H GLY 77 10.033 -6.172 -6.565 1307 1HA GLY 77 1HA GLY 77 11.030 -4.074 -8.309 1308 2HA GLY 77 2HA GLY 77 9.352 -3.805 -7.835 1309 H PHE 78 H PHE 78 10.768 -1.863 -6.876 1310 HA PHE 78 HA PHE 78 11.086 -2.489 -3.986 1311 1HB PHE 78 1HB PHE 78 13.188 -1.336 -5.838 1312 2HB PHE 78 2HB PHE 78 13.299 -1.235 -4.081 1313 HD1 PHE 78 HD1 PHE 78 13.801 -3.318 -6.987 1314 HD2 PHE 78 HD2 PHE 78 13.239 -3.398 -2.727 1315 HE1 PHE 78 HE1 PHE 78 14.716 -5.623 -6.910 1316 HE2 PHE 78 HE2 PHE 78 14.155 -5.702 -2.652 1317 HZ PHE 78 HZ PHE 78 14.893 -6.816 -4.743 1318 H MET 79 H MET 79 10.586 -0.698 -2.674 1319 HA MET 79 HA MET 79 9.727 1.782 -4.127 1320 1HB MET 79 1HB MET 79 8.750 0.403 -1.608 1321 2HB MET 79 2HB MET 79 8.177 1.989 -2.131 1322 1HG MET 79 1HG MET 79 7.445 0.999 -4.283 1323 2HG MET 79 2HG MET 79 7.979 -0.584 -3.724 1324 1HE MET 79 1HE MET 79 6.264 2.377 -1.763 1325 2HE MET 79 2HE MET 79 5.593 2.350 -3.392 1326 3HE MET 79 3HE MET 79 4.569 1.967 -2.001 1327 H SER 80 H SER 80 9.782 3.753 -2.550 1328 HA SER 80 HA SER 80 12.184 3.597 -0.764 1329 1HB SER 80 1HB SER 80 12.393 4.581 -3.195 1330 2HB SER 80 2HB SER 80 11.586 5.983 -2.497 1331 HG SER 80 HG SER 80 13.789 4.799 -1.203 1332 H ILE 81 H ILE 81 11.088 3.828 1.201 1333 HA ILE 81 HA ILE 81 9.784 6.447 1.682 1334 HB ILE 81 HB ILE 81 7.919 4.964 2.854 1335 1HG1 ILE 81 1HG1 ILE 81 8.706 3.160 0.556 1336 2HG1 ILE 81 2HG1 ILE 81 9.243 2.855 2.208 1337 1HG2 ILE 81 1HG2 ILE 81 7.502 6.555 1.033 1338 2HG2 ILE 81 2HG2 ILE 81 6.607 5.062 0.750 1339 3HG2 ILE 81 3HG2 ILE 81 8.092 5.381 -0.145 1340 1HD1 ILE 81 1HD1 ILE 81 6.654 3.195 2.731 1341 2HD1 ILE 81 2HD1 ILE 81 7.281 1.630 2.212 1342 3HD1 ILE 81 3HD1 ILE 81 6.493 2.696 1.047 Start of MODEL 14 1 1H MET 1 1H MET 1 15.706 0.815 -16.457 2 2H MET 1 2H MET 1 16.218 1.605 -15.042 3 3H MET 1 3H MET 1 15.241 2.420 -16.168 4 HA MET 1 HA MET 1 13.896 0.071 -15.417 5 1HB MET 1 1HB MET 1 15.151 1.743 -13.224 6 2HB MET 1 2HB MET 1 13.758 0.698 -12.942 7 1HG MET 1 1HG MET 1 15.886 -0.665 -14.409 8 2HG MET 1 2HG MET 1 16.425 -0.085 -12.833 9 1HE MET 1 1HE MET 1 14.285 -1.451 -10.273 10 2HE MET 1 2HE MET 1 14.799 0.061 -11.019 11 3HE MET 1 3HE MET 1 13.140 -0.516 -11.233 12 H THR 2 H THR 2 11.724 0.760 -14.502 13 HA THR 2 HA THR 2 11.009 3.459 -15.560 14 HB THR 2 HB THR 2 8.667 2.153 -15.075 15 HG1 THR 2 HG1 THR 2 9.541 -0.040 -16.039 16 1HG2 THR 2 1HG2 THR 2 10.251 1.414 -17.518 17 2HG2 THR 2 2HG2 THR 2 9.804 3.097 -17.240 18 3HG2 THR 2 3HG2 THR 2 8.551 1.866 -17.390 19 HA PRO 3 HA PRO 3 10.990 4.361 -11.111 20 1HB PRO 3 1HB PRO 3 10.431 7.017 -11.418 21 2HB PRO 3 2HB PRO 3 12.072 6.356 -11.561 22 1HG PRO 3 1HG PRO 3 10.181 7.195 -13.680 23 2HG PRO 3 2HG PRO 3 11.946 7.303 -13.629 24 1HD PRO 3 1HD PRO 3 10.520 5.397 -15.025 25 2HD PRO 3 2HD PRO 3 12.211 5.234 -14.522 26 H ILE 4 H ILE 4 9.195 5.245 -9.724 27 HA ILE 4 HA ILE 4 6.552 5.432 -11.090 28 HB ILE 4 HB ILE 4 5.678 3.748 -9.448 29 1HG1 ILE 4 1HG1 ILE 4 8.307 2.622 -8.858 30 2HG1 ILE 4 2HG1 ILE 4 8.113 4.233 -8.171 31 1HG2 ILE 4 1HG2 ILE 4 8.008 2.643 -11.031 32 2HG2 ILE 4 2HG2 ILE 4 6.514 3.186 -11.791 33 3HG2 ILE 4 3HG2 ILE 4 6.484 1.842 -10.651 34 1HD1 ILE 4 1HD1 ILE 4 6.402 1.791 -7.703 35 2HD1 ILE 4 2HD1 ILE 4 5.833 3.415 -7.314 36 3HD1 ILE 4 3HD1 ILE 4 7.262 2.764 -6.510 37 H VAL 5 H VAL 5 5.486 7.165 -10.230 38 HA VAL 5 HA VAL 5 6.420 8.302 -7.653 39 HB VAL 5 HB VAL 5 6.063 9.566 -9.859 40 1HG1 VAL 5 1HG1 VAL 5 3.839 8.404 -10.277 41 2HG1 VAL 5 2HG1 VAL 5 3.819 10.157 -10.470 42 3HG1 VAL 5 3HG1 VAL 5 3.161 9.424 -9.007 43 1HG2 VAL 5 1HG2 VAL 5 6.110 10.481 -7.406 44 2HG2 VAL 5 2HG2 VAL 5 4.378 10.713 -7.644 45 3HG2 VAL 5 3HG2 VAL 5 5.531 11.534 -8.697 46 H HIS 6 H HIS 6 5.216 8.125 -5.791 47 HA HIS 6 HA HIS 6 2.539 6.804 -5.986 48 1HB HIS 6 1HB HIS 6 4.877 6.480 -4.391 49 2HB HIS 6 2HB HIS 6 3.594 7.043 -3.319 50 HD1 HIS 6 HD1 HIS 6 3.352 4.687 -2.225 51 HD2 HIS 6 HD2 HIS 6 2.622 4.724 -6.327 52 HE1 HIS 6 HE1 HIS 6 2.274 2.464 -2.779 53 H LEU 7 H LEU 7 0.767 8.082 -5.591 54 HA LEU 7 HA LEU 7 1.203 10.692 -4.176 55 1HB LEU 7 1HB LEU 7 0.548 11.121 -6.398 56 2HB LEU 7 2HB LEU 7 -0.565 9.754 -6.428 57 HG LEU 7 HG LEU 7 -2.028 10.914 -4.807 58 1HD1 LEU 7 1HD1 LEU 7 -0.149 12.235 -3.763 59 2HD1 LEU 7 2HD1 LEU 7 -1.582 13.193 -4.135 60 3HD1 LEU 7 3HD1 LEU 7 -0.168 13.278 -5.186 61 1HD2 LEU 7 1HD2 LEU 7 -1.613 11.549 -7.520 62 2HD2 LEU 7 2HD2 LEU 7 -1.834 13.097 -6.704 63 3HD2 LEU 7 3HD2 LEU 7 -3.072 11.847 -6.574 64 H LYS 8 H LYS 8 0.046 11.029 -2.315 65 HA LYS 8 HA LYS 8 -2.358 9.335 -1.774 66 1HB LYS 8 1HB LYS 8 -0.341 8.279 -0.799 67 2HB LYS 8 2HB LYS 8 0.024 9.778 0.058 68 1HG LYS 8 1HG LYS 8 -2.188 9.602 1.213 69 2HG LYS 8 2HG LYS 8 -2.429 8.036 0.438 70 1HD LYS 8 1HD LYS 8 -0.980 6.986 1.839 71 2HD LYS 8 2HD LYS 8 0.175 8.319 1.786 72 1HE LYS 8 1HE LYS 8 -1.915 9.455 3.176 73 2HE LYS 8 2HE LYS 8 -1.951 7.777 3.753 74 1HZ LYS 8 1HZ LYS 8 0.526 9.402 3.533 75 2HZ LYS 8 2HZ LYS 8 0.369 7.865 4.240 76 3HZ LYS 8 3HZ LYS 8 -0.351 9.218 4.973 77 H GLY 9 H GLY 9 -3.602 10.251 0.140 78 1HA GLY 9 1HA GLY 9 -3.302 12.550 1.546 79 2HA GLY 9 2HA GLY 9 -3.656 13.189 -0.059 80 H ASP 10 H ASP 10 -5.561 14.033 1.340 81 HA ASP 10 HA ASP 10 -7.639 12.260 2.214 82 1HB ASP 10 1HB ASP 10 -7.086 15.079 1.926 83 2HB ASP 10 2HB ASP 10 -8.732 14.739 1.390 84 H ALA 11 H ALA 11 -9.283 11.287 1.071 85 HA ALA 11 HA ALA 11 -9.207 10.794 -1.683 86 1HB ALA 11 1HB ALA 11 -11.113 9.620 -1.201 87 2HB ALA 11 2HB ALA 11 -10.701 10.034 0.463 88 3HB ALA 11 3HB ALA 11 -11.882 11.001 -0.420 89 H ASN 12 H ASN 12 -11.179 13.275 -0.004 90 HA ASN 12 HA ASN 12 -12.534 14.382 -2.188 91 1HB ASN 12 1HB ASN 12 -11.961 14.983 0.511 92 2HB ASN 12 2HB ASN 12 -11.534 16.430 -0.403 93 1HD2 ASN 12 1HD2 ASN 12 -13.250 17.758 -1.070 94 2HD2 ASN 12 2HD2 ASN 12 -14.887 17.317 -0.997 95 H THR 13 H THR 13 -9.385 15.547 -0.911 96 HA THR 13 HA THR 13 -8.856 17.430 -2.962 97 HB THR 13 HB THR 13 -6.776 15.750 -1.551 98 HG1 THR 13 HG1 THR 13 -7.101 17.295 0.173 99 1HG2 THR 13 1HG2 THR 13 -6.976 18.560 -2.616 100 2HG2 THR 13 2HG2 THR 13 -5.743 17.340 -2.944 101 3HG2 THR 13 3HG2 THR 13 -5.793 18.148 -1.375 102 H LEU 14 H LEU 14 -8.522 13.932 -2.964 103 HA LEU 14 HA LEU 14 -6.714 13.756 -5.220 104 1HB LEU 14 1HB LEU 14 -8.643 11.895 -3.822 105 2HB LEU 14 2HB LEU 14 -7.688 11.367 -5.207 106 HG LEU 14 HG LEU 14 -6.511 12.595 -2.698 107 1HD1 LEU 14 1HD1 LEU 14 -5.683 9.938 -2.928 108 2HD1 LEU 14 2HD1 LEU 14 -7.405 9.885 -3.304 109 3HD1 LEU 14 3HD1 LEU 14 -6.858 10.563 -1.770 110 1HD2 LEU 14 1HD2 LEU 14 -4.622 12.716 -3.920 111 2HD2 LEU 14 2HD2 LEU 14 -5.494 12.110 -5.329 112 3HD2 LEU 14 3HD2 LEU 14 -4.710 10.981 -4.223 113 H LYS 15 H LYS 15 -10.226 13.937 -4.875 114 HA LYS 15 HA LYS 15 -11.008 13.101 -7.475 115 1HB LYS 15 1HB LYS 15 -12.397 13.591 -5.397 116 2HB LYS 15 2HB LYS 15 -12.251 15.301 -5.802 117 1HG LYS 15 1HG LYS 15 -13.430 15.025 -7.851 118 2HG LYS 15 2HG LYS 15 -13.278 13.269 -7.789 119 1HD LYS 15 1HD LYS 15 -14.570 14.274 -5.393 120 2HD LYS 15 2HD LYS 15 -15.435 14.796 -6.840 121 1HE LYS 15 1HE LYS 15 -15.904 12.604 -7.513 122 2HE LYS 15 2HE LYS 15 -14.540 11.929 -6.599 123 1HZ LYS 15 1HZ LYS 15 -16.254 13.357 -4.865 124 2HZ LYS 15 2HZ LYS 15 -15.824 11.714 -4.817 125 3HZ LYS 15 3HZ LYS 15 -17.165 12.219 -5.731 126 H CYS 16 H CYS 16 -10.083 16.341 -6.288 127 HA CYS 16 HA CYS 16 -10.560 17.700 -8.791 128 1HB CYS 16 1HB CYS 16 -10.350 18.556 -6.355 129 2HB CYS 16 2HB CYS 16 -8.609 18.522 -6.639 130 HG CYS 16 HG CYS 16 -9.377 20.049 -8.883 131 H LEU 17 H LEU 17 -7.665 16.206 -7.341 132 HA LEU 17 HA LEU 17 -5.712 17.170 -9.159 133 1HB LEU 17 1HB LEU 17 -6.006 14.553 -7.654 134 2HB LEU 17 2HB LEU 17 -4.510 15.076 -8.430 135 HG LEU 17 HG LEU 17 -5.939 16.844 -6.445 136 1HD1 LEU 17 1HD1 LEU 17 -5.413 15.414 -4.786 137 2HD1 LEU 17 2HD1 LEU 17 -3.712 15.635 -5.199 138 3HD1 LEU 17 3HD1 LEU 17 -4.633 14.318 -5.925 139 1HD2 LEU 17 1HD2 LEU 17 -3.170 17.128 -6.278 140 2HD2 LEU 17 2HD2 LEU 17 -4.268 18.201 -7.146 141 3HD2 LEU 17 3HD2 LEU 17 -3.464 16.883 -7.999 142 H ARG 18 H ARG 18 -7.445 14.026 -9.288 143 HA ARG 18 HA ARG 18 -6.503 12.987 -11.673 144 1HB ARG 18 1HB ARG 18 -8.274 12.167 -9.972 145 2HB ARG 18 2HB ARG 18 -9.440 13.033 -10.972 146 1HG ARG 18 1HG ARG 18 -9.093 11.640 -12.819 147 2HG ARG 18 2HG ARG 18 -7.505 11.120 -12.252 148 1HD ARG 18 1HD ARG 18 -9.274 9.345 -11.991 149 2HD ARG 18 2HD ARG 18 -8.549 9.820 -10.442 150 HE ARG 18 HE ARG 18 -10.608 10.827 -9.845 151 1HH1 ARG 18 1HH1 ARG 18 -11.046 9.097 -12.648 152 2HH1 ARG 18 2HH1 ARG 18 -12.404 10.004 -13.224 153 1HH2 ARG 18 1HH2 ARG 18 -12.094 12.493 -10.830 154 2HH2 ARG 18 2HH2 ARG 18 -12.998 11.927 -12.194 155 H TYR 19 H TYR 19 -8.482 15.840 -11.298 156 HA TYR 19 HA TYR 19 -9.669 15.948 -13.898 157 1HB TYR 19 1HB TYR 19 -10.261 17.302 -11.882 158 2HB TYR 19 2HB TYR 19 -8.748 18.191 -12.073 159 HD1 TYR 19 HD1 TYR 19 -12.043 17.476 -13.600 160 HD2 TYR 19 HD2 TYR 19 -8.457 19.831 -13.811 161 HE1 TYR 19 HE1 TYR 19 -13.123 18.968 -15.265 162 HE2 TYR 19 HE2 TYR 19 -9.533 21.324 -15.474 163 HH TYR 19 HH TYR 19 -11.307 21.449 -16.955 164 H ARG 20 H ARG 20 -6.803 17.758 -12.705 165 HA ARG 20 HA ARG 20 -5.996 18.629 -15.330 166 1HB ARG 20 1HB ARG 20 -4.473 18.331 -12.720 167 2HB ARG 20 2HB ARG 20 -3.960 19.317 -14.090 168 1HG ARG 20 1HG ARG 20 -6.068 20.630 -13.896 169 2HG ARG 20 2HG ARG 20 -6.496 19.688 -12.468 170 1HD ARG 20 1HD ARG 20 -4.106 20.438 -11.619 171 2HD ARG 20 2HD ARG 20 -4.337 21.751 -12.792 172 HE ARG 20 HE ARG 20 -6.208 21.159 -10.533 173 1HH1 ARG 20 1HH1 ARG 20 -4.421 23.618 -10.648 174 2HH1 ARG 20 2HH1 ARG 20 -5.536 24.820 -11.206 175 1HH2 ARG 20 1HH2 ARG 20 -7.890 22.516 -12.287 176 2HH2 ARG 20 2HH2 ARG 20 -7.500 24.196 -12.134 177 H PHE 21 H PHE 21 -5.668 15.621 -13.698 178 HA PHE 21 HA PHE 21 -3.176 14.695 -14.787 179 1HB PHE 21 1HB PHE 21 -5.670 13.512 -13.608 180 2HB PHE 21 2HB PHE 21 -4.476 12.436 -14.333 181 HD1 PHE 21 HD1 PHE 21 -3.834 15.658 -12.571 182 HD2 PHE 21 HD2 PHE 21 -3.544 11.373 -12.422 183 HE1 PHE 21 HE1 PHE 21 -2.439 15.823 -10.527 184 HE2 PHE 21 HE2 PHE 21 -2.148 11.539 -10.378 185 HZ PHE 21 HZ PHE 21 -1.596 13.765 -9.429 186 H LYS 22 H LYS 22 -6.543 14.447 -15.955 187 HA LYS 22 HA LYS 22 -6.031 12.759 -18.204 188 1HB LYS 22 1HB LYS 22 -8.110 14.922 -17.740 189 2HB LYS 22 2HB LYS 22 -8.229 13.639 -18.946 190 1HG LYS 22 1HG LYS 22 -7.771 12.953 -16.053 191 2HG LYS 22 2HG LYS 22 -9.400 13.299 -16.636 192 1HD LYS 22 1HD LYS 22 -9.189 11.548 -18.338 193 2HD LYS 22 2HD LYS 22 -7.534 11.223 -17.824 194 1HE LYS 22 1HE LYS 22 -8.696 9.582 -16.622 195 2HE LYS 22 2HE LYS 22 -8.701 10.911 -15.444 196 1HZ LYS 22 1HZ LYS 22 -10.937 10.379 -15.613 197 2HZ LYS 22 2HZ LYS 22 -10.849 10.059 -17.280 198 3HZ LYS 22 3HZ LYS 22 -10.792 11.660 -16.716 199 H LYS 23 H LYS 23 -5.527 16.194 -17.709 200 HA LYS 23 HA LYS 23 -5.376 16.905 -20.526 201 1HB LYS 23 1HB LYS 23 -4.247 18.264 -18.056 202 2HB LYS 23 2HB LYS 23 -4.580 19.029 -19.611 203 1HG LYS 23 1HG LYS 23 -6.892 17.586 -18.537 204 2HG LYS 23 2HG LYS 23 -6.348 18.894 -17.485 205 1HD LYS 23 1HD LYS 23 -7.084 20.478 -18.916 206 2HD LYS 23 2HD LYS 23 -6.342 19.672 -20.299 207 1HE LYS 23 1HE LYS 23 -8.290 18.635 -20.886 208 2HE LYS 23 2HE LYS 23 -8.715 18.283 -19.199 209 1HZ LYS 23 1HZ LYS 23 -9.092 20.735 -18.944 210 2HZ LYS 23 2HZ LYS 23 -10.220 19.937 -19.932 211 3HZ LYS 23 3HZ LYS 23 -8.983 20.867 -20.632 212 H HIS 24 H HIS 24 -2.987 16.040 -18.024 213 HA HIS 24 HA HIS 24 -0.779 16.337 -19.986 214 1HB HIS 24 1HB HIS 24 -0.772 15.521 -17.064 215 2HB HIS 24 2HB HIS 24 0.614 16.072 -18.007 216 HD1 HIS 24 HD1 HIS 24 -0.725 18.470 -19.456 217 HD2 HIS 24 HD2 HIS 24 -1.085 17.725 -15.370 218 HE1 HIS 24 HE1 HIS 24 -1.324 20.681 -18.374 219 H CYS 25 H CYS 25 -2.572 14.268 -20.665 220 HA CYS 25 HA CYS 25 -1.996 11.681 -19.662 221 1HB CYS 25 1HB CYS 25 -2.989 10.950 -21.745 222 2HB CYS 25 2HB CYS 25 -3.804 12.439 -21.265 223 HG CYS 25 HG CYS 25 -3.106 13.334 -23.462 224 H THR 26 H THR 26 -0.006 13.828 -21.484 225 HA THR 26 HA THR 26 1.743 11.637 -22.479 226 HB THR 26 HB THR 26 2.810 13.497 -23.703 227 HG1 THR 26 HG1 THR 26 2.606 15.430 -22.959 228 1HG2 THR 26 1HG2 THR 26 0.980 14.011 -25.145 229 2HG2 THR 26 2HG2 THR 26 -0.190 13.845 -23.836 230 3HG2 THR 26 3HG2 THR 26 0.629 12.419 -24.474 231 H LEU 27 H LEU 27 1.400 13.227 -19.612 232 HA LEU 27 HA LEU 27 4.275 13.757 -19.128 233 1HB LEU 27 1HB LEU 27 1.643 14.357 -17.898 234 2HB LEU 27 2HB LEU 27 2.981 14.161 -16.765 235 HG LEU 27 HG LEU 27 2.915 16.040 -19.146 236 1HD1 LEU 27 1HD1 LEU 27 1.868 16.350 -16.581 237 2HD1 LEU 27 2HD1 LEU 27 2.260 17.652 -17.704 238 3HD1 LEU 27 3HD1 LEU 27 3.440 17.145 -16.494 239 1HD2 LEU 27 1HD2 LEU 27 5.089 16.784 -17.743 240 2HD2 LEU 27 2HD2 LEU 27 5.172 15.587 -19.037 241 3HD2 LEU 27 3HD2 LEU 27 5.091 15.064 -17.355 242 H TYR 28 H TYR 28 1.830 11.328 -18.447 243 HA TYR 28 HA TYR 28 3.874 9.809 -16.858 244 1HB TYR 28 1HB TYR 28 1.910 8.849 -15.665 245 2HB TYR 28 2HB TYR 28 1.978 10.603 -15.509 246 HD1 TYR 28 HD1 TYR 28 0.301 12.017 -16.480 247 HD2 TYR 28 HD2 TYR 28 0.314 7.795 -17.274 248 HE1 TYR 28 HE1 TYR 28 -1.960 12.200 -17.483 249 HE2 TYR 28 HE2 TYR 28 -1.947 7.977 -18.279 250 HH TYR 28 HH TYR 28 -3.537 9.383 -18.974 251 H THR 29 H THR 29 3.272 7.334 -16.952 252 HA THR 29 HA THR 29 2.887 6.665 -19.830 253 HB THR 29 HB THR 29 3.917 4.997 -17.519 254 HG1 THR 29 HG1 THR 29 5.060 6.969 -19.105 255 1HG2 THR 29 1HG2 THR 29 5.148 4.159 -19.821 256 2HG2 THR 29 2HG2 THR 29 3.542 4.585 -20.412 257 3HG2 THR 29 3HG2 THR 29 3.720 3.399 -19.118 258 H ALA 30 H ALA 30 1.575 5.835 -16.610 259 HA ALA 30 HA ALA 30 -0.902 4.888 -17.875 260 1HB ALA 30 1HB ALA 30 0.976 3.020 -16.395 261 2HB ALA 30 2HB ALA 30 -0.656 2.598 -16.916 262 3HB ALA 30 3HB ALA 30 0.586 2.957 -18.115 263 H VAL 31 H VAL 31 -2.494 5.599 -16.524 264 HA VAL 31 HA VAL 31 -1.863 6.228 -13.704 265 HB VAL 31 HB VAL 31 -3.147 7.688 -15.358 266 1HG1 VAL 31 1HG1 VAL 31 -5.342 7.124 -15.977 267 2HG1 VAL 31 2HG1 VAL 31 -5.489 5.917 -14.698 268 3HG1 VAL 31 3HG1 VAL 31 -4.490 5.584 -16.112 269 1HG2 VAL 31 1HG2 VAL 31 -4.252 8.679 -13.603 270 2HG2 VAL 31 2HG2 VAL 31 -3.301 7.526 -12.669 271 3HG2 VAL 31 3HG2 VAL 31 -4.980 7.164 -13.071 272 H SER 32 H SER 32 -2.184 4.682 -12.156 273 HA SER 32 HA SER 32 -3.751 2.258 -12.710 274 1HB SER 32 1HB SER 32 -2.951 1.870 -10.262 275 2HB SER 32 2HB SER 32 -1.728 1.965 -11.525 276 HG SER 32 HG SER 32 -0.950 3.526 -10.360 277 H SER 33 H SER 33 -5.658 1.620 -11.533 278 HA SER 33 HA SER 33 -7.524 3.679 -10.861 279 1HB SER 33 1HB SER 33 -8.784 1.809 -11.055 280 2HB SER 33 2HB SER 33 -7.334 0.812 -11.015 281 HG SER 33 HG SER 33 -9.169 0.893 -9.210 282 H THR 34 H THR 34 -8.377 4.179 -8.674 283 HA THR 34 HA THR 34 -6.306 4.668 -6.728 284 HB THR 34 HB THR 34 -9.337 4.750 -6.688 285 HG1 THR 34 HG1 THR 34 -8.358 6.284 -7.992 286 1HG2 THR 34 1HG2 THR 34 -8.428 4.400 -4.398 287 2HG2 THR 34 2HG2 THR 34 -9.160 5.994 -4.591 288 3HG2 THR 34 3HG2 THR 34 -7.405 5.821 -4.611 289 H TRP 35 H TRP 35 -5.641 3.382 -5.017 290 HA TRP 35 HA TRP 35 -7.365 1.110 -4.167 291 1HB TRP 35 1HB TRP 35 -5.542 -0.466 -4.511 292 2HB TRP 35 2HB TRP 35 -5.815 0.405 -6.019 293 HD1 TRP 35 HD1 TRP 35 -3.888 1.851 -6.955 294 HE1 TRP 35 HE1 TRP 35 -1.467 2.322 -6.205 295 HE3 TRP 35 HE3 TRP 35 -4.009 -0.179 -2.271 296 HZ2 TRP 35 HZ2 TRP 35 0.202 1.887 -3.915 297 HZ3 TRP 35 HZ3 TRP 35 -1.996 -0.139 -0.829 298 HH2 TRP 35 HH2 TRP 35 0.106 0.888 -1.642 299 H HIS 36 H HIS 36 -7.469 1.259 -1.985 300 HA HIS 36 HA HIS 36 -5.548 2.858 -0.464 301 1HB HIS 36 1HB HIS 36 -7.070 1.869 1.445 302 2HB HIS 36 2HB HIS 36 -7.738 3.047 0.317 303 HD1 HIS 36 HD1 HIS 36 -10.117 2.260 0.089 304 HD2 HIS 36 HD2 HIS 36 -7.386 -0.850 -0.403 305 HE1 HIS 36 HE1 HIS 36 -11.455 0.248 -0.669 306 H TRP 37 H TRP 37 -4.387 1.974 1.439 307 HA TRP 37 HA TRP 37 -2.993 -0.511 0.783 308 1HB TRP 37 1HB TRP 37 -2.719 1.817 2.495 309 2HB TRP 37 2HB TRP 37 -2.365 0.345 3.397 310 HD1 TRP 37 HD1 TRP 37 -0.259 2.636 2.253 311 HE1 TRP 37 HE1 TRP 37 1.771 1.777 0.917 312 HE3 TRP 37 HE3 TRP 37 -1.963 -2.002 0.926 313 HZ2 TRP 37 HZ2 TRP 37 2.567 -0.558 -0.525 314 HZ3 TRP 37 HZ3 TRP 37 -0.547 -3.516 -0.432 315 HH2 TRP 37 HH2 TRP 37 1.715 -2.801 -1.155 316 H THR 38 H THR 38 -5.558 -1.343 1.041 317 HA THR 38 HA THR 38 -5.504 -2.899 3.575 318 HB THR 38 HB THR 38 -6.793 -0.683 3.778 319 HG1 THR 38 HG1 THR 38 -7.940 -1.693 5.218 320 1HG2 THR 38 1HG2 THR 38 -7.991 -1.724 1.413 321 2HG2 THR 38 2HG2 THR 38 -8.370 -0.219 2.248 322 3HG2 THR 38 3HG2 THR 38 -9.229 -1.701 2.668 323 H GLY 39 H GLY 39 -7.623 -4.415 3.459 324 1HA GLY 39 1HA GLY 39 -7.324 -6.003 1.059 325 2HA GLY 39 2HA GLY 39 -8.494 -6.297 2.344 326 H HIS 40 H HIS 40 -9.475 -6.714 -0.106 327 HA HIS 40 HA HIS 40 -10.486 -4.483 -1.564 328 1HB HIS 40 1HB HIS 40 -10.376 -7.021 -2.086 329 2HB HIS 40 2HB HIS 40 -11.899 -7.131 -1.203 330 HD1 HIS 40 HD1 HIS 40 -10.510 -4.812 -3.913 331 HD2 HIS 40 HD2 HIS 40 -14.005 -6.871 -2.953 332 HE1 HIS 40 HE1 HIS 40 -12.165 -4.318 -5.766 333 H ASN 41 H ASN 41 -12.359 -6.603 0.642 334 HA ASN 41 HA ASN 41 -14.581 -4.804 0.879 335 1HB ASN 41 1HB ASN 41 -14.465 -7.296 1.319 336 2HB ASN 41 2HB ASN 41 -13.631 -6.922 2.829 337 1HD2 ASN 41 1HD2 ASN 41 -16.746 -6.721 1.158 338 2HD2 ASN 41 2HD2 ASN 41 -17.651 -6.284 2.525 339 H VAL 42 H VAL 42 -13.850 -2.700 1.505 340 HA VAL 42 HA VAL 42 -13.160 -2.452 4.384 341 HB VAL 42 HB VAL 42 -11.042 -2.647 3.065 342 1HG1 VAL 42 1HG1 VAL 42 -11.075 -1.695 1.016 343 2HG1 VAL 42 2HG1 VAL 42 -10.846 -0.153 1.840 344 3HG1 VAL 42 3HG1 VAL 42 -12.471 -0.698 1.424 345 1HG2 VAL 42 1HG2 VAL 42 -11.774 -0.090 4.481 346 2HG2 VAL 42 2HG2 VAL 42 -10.154 -0.309 3.819 347 3HG2 VAL 42 3HG2 VAL 42 -10.760 -1.418 5.049 348 H LYS 43 H LYS 43 -13.572 -0.262 5.180 349 HA LYS 43 HA LYS 43 -15.163 1.443 3.293 350 1HB LYS 43 1HB LYS 43 -15.769 0.240 5.946 351 2HB LYS 43 2HB LYS 43 -16.354 1.881 5.675 352 1HG LYS 43 1HG LYS 43 -16.983 0.602 3.302 353 2HG LYS 43 2HG LYS 43 -17.290 -0.641 4.515 354 1HD LYS 43 1HD LYS 43 -19.298 0.401 4.754 355 2HD LYS 43 2HD LYS 43 -18.382 1.560 5.719 356 1HE LYS 43 1HE LYS 43 -18.154 3.072 3.881 357 2HE LYS 43 2HE LYS 43 -18.695 1.846 2.718 358 1HZ LYS 43 1HZ LYS 43 -20.727 1.778 4.385 359 2HZ LYS 43 2HZ LYS 43 -20.674 2.872 3.086 360 3HZ LYS 43 3HZ LYS 43 -20.257 3.386 4.650 361 H HIS 44 H HIS 44 -12.899 1.256 5.974 362 HA HIS 44 HA HIS 44 -12.801 3.775 7.071 363 1HB HIS 44 1HB HIS 44 -10.982 1.594 6.508 364 2HB HIS 44 2HB HIS 44 -10.133 3.137 6.404 365 HD1 HIS 44 HD1 HIS 44 -11.926 4.610 8.569 366 HD2 HIS 44 HD2 HIS 44 -10.053 0.924 9.094 367 HE1 HIS 44 HE1 HIS 44 -11.671 4.287 11.067 368 H LYS 45 H LYS 45 -11.935 5.815 6.467 369 HA LYS 45 HA LYS 45 -12.188 6.564 3.698 370 1HB LYS 45 1HB LYS 45 -12.626 8.051 5.597 371 2HB LYS 45 2HB LYS 45 -10.942 7.930 6.105 372 1HG LYS 45 1HG LYS 45 -10.167 9.155 4.250 373 2HG LYS 45 2HG LYS 45 -11.652 8.883 3.337 374 1HD LYS 45 1HD LYS 45 -12.582 10.160 5.595 375 2HD LYS 45 2HD LYS 45 -11.033 10.960 5.322 376 1HE LYS 45 1HE LYS 45 -12.476 10.583 2.816 377 2HE LYS 45 2HE LYS 45 -13.419 11.533 3.982 378 1HZ LYS 45 1HZ LYS 45 -10.536 12.007 3.484 379 2HZ LYS 45 2HZ LYS 45 -11.628 13.005 4.319 380 3HZ LYS 45 3HZ LYS 45 -11.751 12.828 2.634 381 H SER 46 H SER 46 -10.705 5.967 2.169 382 HA SER 46 HA SER 46 -7.871 6.624 2.543 383 1HB SER 46 1HB SER 46 -8.527 3.741 1.976 384 2HB SER 46 2HB SER 46 -7.045 4.424 2.636 385 HG SER 46 HG SER 46 -8.940 3.364 3.998 386 H ALA 47 H ALA 47 -6.781 6.683 0.503 387 HA ALA 47 HA ALA 47 -7.838 5.513 -1.912 388 1HB ALA 47 1HB ALA 47 -9.613 7.161 -1.438 389 2HB ALA 47 2HB ALA 47 -8.409 8.448 -1.372 390 3HB ALA 47 3HB ALA 47 -8.729 7.616 -2.894 391 H ILE 48 H ILE 48 -6.032 5.351 -3.182 392 HA ILE 48 HA ILE 48 -4.106 7.638 -3.240 393 HB ILE 48 HB ILE 48 -3.446 4.709 -2.792 394 1HG1 ILE 48 1HG1 ILE 48 -3.386 7.124 -0.961 395 2HG1 ILE 48 2HG1 ILE 48 -4.396 5.688 -0.784 396 1HG2 ILE 48 1HG2 ILE 48 -1.861 6.459 -4.071 397 2HG2 ILE 48 2HG2 ILE 48 -1.214 5.253 -2.958 398 3HG2 ILE 48 3HG2 ILE 48 -1.471 6.910 -2.412 399 1HD1 ILE 48 1HD1 ILE 48 -1.364 5.696 -0.707 400 2HD1 ILE 48 2HD1 ILE 48 -2.409 4.298 -0.451 401 3HD1 ILE 48 3HD1 ILE 48 -2.410 5.624 0.711 402 H VAL 49 H VAL 49 -3.189 7.945 -5.266 403 HA VAL 49 HA VAL 49 -3.877 5.942 -7.393 404 HB VAL 49 HB VAL 49 -3.828 8.971 -7.351 405 1HG1 VAL 49 1HG1 VAL 49 -4.719 7.818 -9.852 406 2HG1 VAL 49 2HG1 VAL 49 -3.064 7.318 -9.503 407 3HG1 VAL 49 3HG1 VAL 49 -3.471 9.033 -9.573 408 1HG2 VAL 49 1HG2 VAL 49 -6.141 8.829 -7.695 409 2HG2 VAL 49 2HG2 VAL 49 -5.850 7.461 -6.621 410 3HG2 VAL 49 3HG2 VAL 49 -6.042 7.197 -8.353 411 H THR 50 H THR 50 -2.011 4.983 -8.108 412 HA THR 50 HA THR 50 0.587 6.384 -7.790 413 HB THR 50 HB THR 50 -0.261 3.582 -8.581 414 HG1 THR 50 HG1 THR 50 -0.531 4.004 -6.416 415 1HG2 THR 50 1HG2 THR 50 2.296 4.962 -8.868 416 2HG2 THR 50 2HG2 THR 50 1.790 3.396 -9.500 417 3HG2 THR 50 3HG2 THR 50 2.422 3.521 -7.858 418 H LEU 51 H LEU 51 2.043 6.631 -9.618 419 HA LEU 51 HA LEU 51 0.777 6.365 -12.316 420 1HB LEU 51 1HB LEU 51 2.001 8.755 -10.944 421 2HB LEU 51 2HB LEU 51 1.972 8.653 -12.705 422 HG LEU 51 HG LEU 51 -0.567 8.041 -12.323 423 1HD1 LEU 51 1HD1 LEU 51 -0.665 9.942 -10.141 424 2HD1 LEU 51 2HD1 LEU 51 0.287 8.529 -9.684 425 3HD1 LEU 51 3HD1 LEU 51 -1.375 8.330 -10.241 426 1HD2 LEU 51 1HD2 LEU 51 0.212 10.912 -11.822 427 2HD2 LEU 51 2HD2 LEU 51 -1.105 10.285 -12.814 428 3HD2 LEU 51 3HD2 LEU 51 0.564 10.139 -13.367 429 H THR 52 H THR 52 2.195 5.510 -13.808 430 HA THR 52 HA THR 52 4.964 4.927 -12.896 431 HB THR 52 HB THR 52 4.470 3.753 -15.392 432 HG1 THR 52 HG1 THR 52 2.393 2.863 -15.070 433 1HG2 THR 52 1HG2 THR 52 5.555 2.567 -13.630 434 2HG2 THR 52 2HG2 THR 52 4.049 1.700 -13.933 435 3HG2 THR 52 3HG2 THR 52 4.182 2.782 -12.546 436 H TYR 53 H TYR 53 6.665 6.091 -13.675 437 HA TYR 53 HA TYR 53 6.221 7.833 -16.070 438 1HB TYR 53 1HB TYR 53 7.945 7.954 -13.596 439 2HB TYR 53 2HB TYR 53 8.313 8.956 -15.000 440 HD1 TYR 53 HD1 TYR 53 5.332 7.951 -12.945 441 HD2 TYR 53 HD2 TYR 53 7.364 11.085 -15.071 442 HE1 TYR 53 HE1 TYR 53 3.575 9.559 -12.255 443 HE2 TYR 53 HE2 TYR 53 5.606 12.693 -14.379 444 HH TYR 53 HH TYR 53 2.648 11.689 -12.976 445 H ASP 54 H ASP 54 7.783 7.776 -17.753 446 HA ASP 54 HA ASP 54 9.326 5.272 -17.950 447 1HB ASP 54 1HB ASP 54 8.847 7.606 -19.833 448 2HB ASP 54 2HB ASP 54 9.624 6.088 -20.286 449 H SER 55 H SER 55 9.937 8.467 -16.910 450 HA SER 55 HA SER 55 12.842 7.924 -16.834 451 1HB SER 55 1HB SER 55 13.148 9.026 -18.797 452 2HB SER 55 2HB SER 55 11.489 9.620 -18.799 453 HG SER 55 HG SER 55 13.771 10.700 -17.517 454 H GLU 56 H GLU 56 13.658 8.794 -14.957 455 HA GLU 56 HA GLU 56 12.073 10.021 -12.973 456 1HB GLU 56 1HB GLU 56 15.030 9.961 -13.594 457 2HB GLU 56 2HB GLU 56 14.415 10.745 -12.138 458 1HG GLU 56 1HG GLU 56 13.570 7.937 -12.818 459 2HG GLU 56 2HG GLU 56 15.109 8.231 -12.006 460 H TRP 57 H TRP 57 14.061 11.511 -15.525 461 HA TRP 57 HA TRP 57 13.988 14.211 -14.721 462 1HB TRP 57 1HB TRP 57 15.216 13.182 -16.654 463 2HB TRP 57 2HB TRP 57 13.684 13.085 -17.524 464 HD1 TRP 57 HD1 TRP 57 12.857 15.199 -18.728 465 HE1 TRP 57 HE1 TRP 57 13.706 17.627 -18.920 466 HE3 TRP 57 HE3 TRP 57 16.555 15.122 -15.206 467 HZ2 TRP 57 HZ2 TRP 57 15.691 19.313 -17.736 468 HZ3 TRP 57 HZ3 TRP 57 17.908 17.150 -14.758 469 HH2 TRP 57 HH2 TRP 57 17.481 19.243 -16.017 470 H GLN 58 H GLN 58 11.659 12.543 -16.880 471 HA GLN 58 HA GLN 58 9.828 14.668 -17.194 472 1HB GLN 58 1HB GLN 58 9.891 12.512 -18.439 473 2HB GLN 58 2HB GLN 58 9.300 11.684 -16.998 474 1HG GLN 58 1HG GLN 58 7.212 12.857 -17.069 475 2HG GLN 58 2HG GLN 58 7.812 13.978 -18.293 476 1HE2 GLN 58 1HE2 GLN 58 6.746 10.625 -17.767 477 2HE2 GLN 58 2HE2 GLN 58 6.534 10.255 -19.410 478 H ARG 59 H ARG 59 10.297 12.480 -14.478 479 HA ARG 59 HA ARG 59 7.801 12.798 -13.142 480 1HB ARG 59 1HB ARG 59 9.700 11.209 -12.638 481 2HB ARG 59 2HB ARG 59 10.576 12.570 -11.935 482 1HG ARG 59 1HG ARG 59 8.830 12.905 -10.279 483 2HG ARG 59 2HG ARG 59 7.828 11.665 -11.033 484 1HD ARG 59 1HD ARG 59 9.115 9.925 -10.201 485 2HD ARG 59 2HD ARG 59 10.599 10.899 -10.180 486 HE ARG 59 HE ARG 59 8.431 11.029 -8.144 487 1HH1 ARG 59 1HH1 ARG 59 11.618 10.599 -8.187 488 2HH1 ARG 59 2HH1 ARG 59 12.067 11.991 -7.258 489 1HH2 ARG 59 1HH2 ARG 59 8.934 13.464 -7.458 490 2HH2 ARG 59 2HH2 ARG 59 10.547 13.613 -6.845 491 H ASP 60 H ASP 60 10.832 14.672 -12.778 492 HA ASP 60 HA ASP 60 9.871 16.538 -10.856 493 1HB ASP 60 1HB ASP 60 12.235 15.947 -11.940 494 2HB ASP 60 2HB ASP 60 11.840 17.325 -12.968 495 H GLN 61 H GLN 61 9.618 16.520 -14.401 496 HA GLN 61 HA GLN 61 8.773 19.245 -14.727 497 1HB GLN 61 1HB GLN 61 8.170 16.733 -16.326 498 2HB GLN 61 2HB GLN 61 7.977 18.384 -16.917 499 1HG GLN 61 1HG GLN 61 10.493 18.632 -16.177 500 2HG GLN 61 2HG GLN 61 10.501 16.874 -16.315 501 1HE2 GLN 61 1HE2 GLN 61 10.446 15.955 -18.434 502 2HE2 GLN 61 2HE2 GLN 61 10.449 16.891 -19.849 503 H PHE 62 H PHE 62 6.871 16.222 -14.468 504 HA PHE 62 HA PHE 62 4.278 17.333 -14.600 505 1HB PHE 62 1HB PHE 62 4.441 14.999 -14.685 506 2HB PHE 62 2HB PHE 62 5.586 14.934 -13.348 507 HD1 PHE 62 HD1 PHE 62 2.123 14.717 -14.310 508 HD2 PHE 62 HD2 PHE 62 4.743 15.517 -11.001 509 HE1 PHE 62 HE1 PHE 62 0.262 14.275 -12.729 510 HE2 PHE 62 HE2 PHE 62 2.884 15.076 -9.420 511 HZ PHE 62 HZ PHE 62 0.642 14.455 -10.284 512 H LEU 63 H LEU 63 6.452 16.908 -11.810 513 HA LEU 63 HA LEU 63 4.686 17.775 -9.756 514 1HB LEU 63 1HB LEU 63 7.552 17.358 -10.233 515 2HB LEU 63 2HB LEU 63 7.228 18.606 -9.029 516 HG LEU 63 HG LEU 63 5.838 15.926 -8.945 517 1HD1 LEU 63 1HD1 LEU 63 8.279 15.535 -8.881 518 2HD1 LEU 63 2HD1 LEU 63 7.544 15.219 -7.308 519 3HD1 LEU 63 3HD1 LEU 63 8.432 16.719 -7.582 520 1HD2 LEU 63 1HD2 LEU 63 6.470 17.321 -6.457 521 2HD2 LEU 63 2HD2 LEU 63 4.914 16.736 -7.046 522 3HD2 LEU 63 3HD2 LEU 63 5.510 18.318 -7.550 523 H SER 64 H SER 64 6.422 19.588 -12.204 524 HA SER 64 HA SER 64 5.986 22.169 -10.813 525 1HB SER 64 1HB SER 64 7.432 23.022 -12.496 526 2HB SER 64 2HB SER 64 8.057 21.412 -12.155 527 HG SER 64 HG SER 64 7.807 21.848 -14.412 528 H GLN 65 H GLN 65 4.458 20.176 -13.202 529 HA GLN 65 HA GLN 65 2.871 22.443 -14.293 530 1HB GLN 65 1HB GLN 65 2.834 19.486 -14.975 531 2HB GLN 65 2HB GLN 65 2.220 20.813 -15.964 532 1HG GLN 65 1HG GLN 65 5.002 21.243 -15.218 533 2HG GLN 65 2HG GLN 65 4.793 19.718 -16.080 534 1HE2 GLN 65 1HE2 GLN 65 4.930 19.956 -18.310 535 2HE2 GLN 65 2HE2 GLN 65 4.501 21.353 -19.173 536 H VAL 66 H VAL 66 2.662 19.917 -11.943 537 HA VAL 66 HA VAL 66 -0.321 20.042 -11.893 538 HB VAL 66 HB VAL 66 1.648 18.277 -10.405 539 1HG1 VAL 66 1HG1 VAL 66 -0.761 16.939 -10.763 540 2HG1 VAL 66 2HG1 VAL 66 -1.260 18.590 -10.394 541 3HG1 VAL 66 3HG1 VAL 66 -0.224 17.711 -9.271 542 1HG2 VAL 66 1HG2 VAL 66 0.987 18.335 -13.169 543 2HG2 VAL 66 2HG2 VAL 66 0.172 16.935 -12.472 544 3HG2 VAL 66 3HG2 VAL 66 1.919 17.111 -12.310 545 H LYS 67 H LYS 67 -0.709 22.024 -10.788 546 HA LYS 67 HA LYS 67 0.720 23.051 -8.574 547 1HB LYS 67 1HB LYS 67 -0.953 24.284 -9.864 548 2HB LYS 67 2HB LYS 67 -2.219 23.186 -9.313 549 1HG LYS 67 1HG LYS 67 -0.533 24.676 -7.316 550 2HG LYS 67 2HG LYS 67 -1.914 25.456 -8.077 551 1HD LYS 67 1HD LYS 67 -3.040 23.092 -7.375 552 2HD LYS 67 2HD LYS 67 -1.853 23.273 -6.084 553 1HE LYS 67 1HE LYS 67 -3.344 24.657 -5.071 554 2HE LYS 67 2HE LYS 67 -2.984 25.830 -6.352 555 1HZ LYS 67 1HZ LYS 67 -4.656 23.879 -7.440 556 2HZ LYS 67 2HZ LYS 67 -5.015 25.515 -7.153 557 3HZ LYS 67 3HZ LYS 67 -5.348 24.348 -5.964 558 H ILE 68 H ILE 68 1.182 21.668 -6.857 559 HA ILE 68 HA ILE 68 -0.927 19.888 -5.802 560 HB ILE 68 HB ILE 68 1.990 20.384 -5.141 561 1HG1 ILE 68 1HG1 ILE 68 1.025 17.743 -6.051 562 2HG1 ILE 68 2HG1 ILE 68 0.861 19.033 -7.243 563 1HG2 ILE 68 1HG2 ILE 68 0.261 19.525 -3.278 564 2HG2 ILE 68 2HG2 ILE 68 1.889 18.861 -3.409 565 3HG2 ILE 68 3HG2 ILE 68 0.524 17.995 -4.114 566 1HD1 ILE 68 1HD1 ILE 68 3.043 18.032 -7.535 567 2HD1 ILE 68 2HD1 ILE 68 3.394 18.188 -5.813 568 3HD1 ILE 68 3HD1 ILE 68 3.271 19.629 -6.822 569 HA PRO 69 HA PRO 69 -2.019 22.902 -2.778 570 1HB PRO 69 1HB PRO 69 -3.654 21.337 -1.239 571 2HB PRO 69 2HB PRO 69 -4.150 21.997 -2.810 572 1HG PRO 69 1HG PRO 69 -3.191 19.266 -2.122 573 2HG PRO 69 2HG PRO 69 -4.471 19.766 -3.239 574 1HD PRO 69 1HD PRO 69 -1.988 19.016 -4.057 575 2HD PRO 69 2HD PRO 69 -3.004 20.166 -4.950 576 H LYS 70 H LYS 70 -2.521 22.198 -0.058 577 HA LYS 70 HA LYS 70 0.255 21.554 0.821 578 1HB LYS 70 1HB LYS 70 -2.110 22.727 2.317 579 2HB LYS 70 2HB LYS 70 -0.431 22.712 2.856 580 1HG LYS 70 1HG LYS 70 0.110 24.005 0.710 581 2HG LYS 70 2HG LYS 70 -1.630 24.250 0.549 582 1HD LYS 70 1HD LYS 70 -1.762 25.526 2.516 583 2HD LYS 70 2HD LYS 70 -0.238 24.897 3.138 584 1HE LYS 70 1HE LYS 70 -0.028 27.252 2.303 585 2HE LYS 70 2HE LYS 70 0.999 26.128 1.389 586 1HZ LYS 70 1HZ LYS 70 -1.764 26.904 0.618 587 2HZ LYS 70 2HZ LYS 70 -0.707 25.912 -0.270 588 3HZ LYS 70 3HZ LYS 70 -0.358 27.562 -0.065 589 H THR 71 H THR 71 -1.272 19.294 0.017 590 HA THR 71 HA THR 71 -1.407 17.842 2.593 591 HB THR 71 HB THR 71 -3.772 17.031 1.595 592 HG1 THR 71 HG1 THR 71 -4.663 18.482 0.339 593 1HG2 THR 71 1HG2 THR 71 -2.892 18.571 3.716 594 2HG2 THR 71 2HG2 THR 71 -4.552 18.030 3.468 595 3HG2 THR 71 3HG2 THR 71 -4.053 19.630 2.917 596 H ILE 72 H ILE 72 -0.886 17.828 -0.822 597 HA ILE 72 HA ILE 72 -1.087 14.877 -1.035 598 HB ILE 72 HB ILE 72 -0.658 17.221 -2.885 599 1HG1 ILE 72 1HG1 ILE 72 -2.681 16.464 -3.894 600 2HG1 ILE 72 2HG1 ILE 72 -2.571 14.889 -3.109 601 1HG2 ILE 72 1HG2 ILE 72 -0.722 15.020 -4.546 602 2HG2 ILE 72 2HG2 ILE 72 0.314 14.467 -3.231 603 3HG2 ILE 72 3HG2 ILE 72 0.732 15.926 -4.127 604 1HD1 ILE 72 1HD1 ILE 72 -2.881 17.484 -1.580 605 2HD1 ILE 72 2HD1 ILE 72 -3.039 15.843 -0.951 606 3HD1 ILE 72 3HD1 ILE 72 -4.246 16.480 -2.068 607 H THR 73 H THR 73 0.710 13.769 -0.279 608 HA THR 73 HA THR 73 3.382 15.067 -0.398 609 HB THR 73 HB THR 73 2.478 12.427 0.797 610 HG1 THR 73 HG1 THR 73 2.769 13.981 2.731 611 1HG2 THR 73 1HG2 THR 73 4.907 14.175 1.279 612 2HG2 THR 73 2HG2 THR 73 4.900 12.601 0.482 613 3HG2 THR 73 3HG2 THR 73 4.507 12.724 2.197 614 H VAL 74 H VAL 74 5.079 14.213 -1.637 615 HA VAL 74 HA VAL 74 4.296 12.435 -3.857 616 HB VAL 74 HB VAL 74 6.912 13.824 -3.211 617 1HG1 VAL 74 1HG1 VAL 74 7.011 13.742 -5.796 618 2HG1 VAL 74 2HG1 VAL 74 5.746 12.520 -5.670 619 3HG1 VAL 74 3HG1 VAL 74 7.318 12.241 -4.922 620 1HG2 VAL 74 1HG2 VAL 74 6.085 15.770 -4.114 621 2HG2 VAL 74 2HG2 VAL 74 4.562 15.119 -3.507 622 3HG2 VAL 74 3HG2 VAL 74 4.991 14.920 -5.205 623 H SER 75 H SER 75 5.861 10.710 -4.503 624 HA SER 75 HA SER 75 7.329 9.438 -2.241 625 1HB SER 75 1HB SER 75 4.847 8.515 -3.581 626 2HB SER 75 2HB SER 75 6.059 7.280 -3.255 627 HG SER 75 HG SER 75 5.653 7.452 -1.199 628 H THR 76 H THR 76 8.703 7.607 -3.018 629 HA THR 76 HA THR 76 9.343 7.742 -5.942 630 HB THR 76 HB THR 76 11.677 7.955 -5.394 631 HG1 THR 76 HG1 THR 76 12.078 6.757 -3.681 632 1HG2 THR 76 1HG2 THR 76 11.737 10.072 -4.293 633 2HG2 THR 76 2HG2 THR 76 10.269 9.718 -3.382 634 3HG2 THR 76 3HG2 THR 76 10.182 10.004 -5.121 635 H GLY 77 H GLY 77 10.358 5.705 -6.728 636 1HA GLY 77 1HA GLY 77 10.963 3.480 -5.097 637 2HA GLY 77 2HA GLY 77 9.259 3.353 -5.532 638 H PHE 78 H PHE 78 11.857 1.888 -6.395 639 HA PHE 78 HA PHE 78 11.832 2.386 -9.319 640 1HB PHE 78 1HB PHE 78 13.481 0.879 -7.317 641 2HB PHE 78 2HB PHE 78 13.583 0.414 -9.015 642 HD1 PHE 78 HD1 PHE 78 15.245 2.268 -6.692 643 HD2 PHE 78 HD2 PHE 78 13.462 2.761 -10.570 644 HE1 PHE 78 HE1 PHE 78 16.742 4.196 -7.135 645 HE2 PHE 78 HE2 PHE 78 14.957 4.691 -11.013 646 HZ PHE 78 HZ PHE 78 16.598 5.408 -9.295 647 H MET 79 H MET 79 10.937 0.935 -10.803 648 HA MET 79 HA MET 79 9.644 -1.530 -9.679 649 1HB MET 79 1HB MET 79 7.677 -0.997 -10.853 650 2HB MET 79 2HB MET 79 8.233 0.587 -10.316 651 1HG MET 79 1HG MET 79 8.003 1.139 -12.517 652 2HG MET 79 2HG MET 79 9.574 0.355 -12.680 653 1HE MET 79 1HE MET 79 5.889 0.132 -12.654 654 2HE MET 79 2HE MET 79 5.421 -1.257 -13.632 655 3HE MET 79 3HE MET 79 5.995 -1.491 -11.976 656 H SER 80 H SER 80 9.178 -3.158 -11.486 657 HA SER 80 HA SER 80 10.995 -2.938 -13.829 658 1HB SER 80 1HB SER 80 11.411 -4.524 -11.395 659 2HB SER 80 2HB SER 80 11.493 -5.491 -12.864 660 HG SER 80 HG SER 80 13.030 -4.023 -13.662 661 H ILE 81 H ILE 81 9.461 -3.301 -15.418 662 HA ILE 81 HA ILE 81 8.022 -5.896 -15.376 663 HB ILE 81 HB ILE 81 6.790 -3.139 -15.314 664 1HG1 ILE 81 1HG1 ILE 81 6.162 -5.728 -13.855 665 2HG1 ILE 81 2HG1 ILE 81 7.110 -4.396 -13.190 666 1HG2 ILE 81 1HG2 ILE 81 4.657 -4.147 -15.995 667 2HG2 ILE 81 2HG2 ILE 81 5.445 -5.711 -16.204 668 3HG2 ILE 81 3HG2 ILE 81 5.861 -4.364 -17.265 669 1HD1 ILE 81 1HD1 ILE 81 4.822 -3.131 -14.105 670 2HD1 ILE 81 2HD1 ILE 81 5.143 -3.578 -12.430 671 3HD1 ILE 81 3HD1 ILE 81 4.205 -4.654 -13.466 672 1H MET 1 1H MET 1 15.649 -0.675 2.913 673 2H MET 1 2H MET 1 16.154 -1.489 1.510 674 3H MET 1 3H MET 1 15.176 -2.282 2.651 675 HA MET 1 HA MET 1 13.823 0.048 1.884 676 1HB MET 1 1HB MET 1 15.105 -1.599 -0.312 677 2HB MET 1 2HB MET 1 13.706 -0.562 -0.595 678 1HG MET 1 1HG MET 1 15.812 0.813 0.889 679 2HG MET 1 2HG MET 1 16.371 0.237 -0.681 680 1HE MET 1 1HE MET 1 14.224 1.583 -3.260 681 2HE MET 1 2HE MET 1 14.761 0.078 -2.516 682 3HE MET 1 3HE MET 1 13.093 0.630 -2.301 683 H THR 2 H THR 2 11.666 -0.655 0.952 684 HA THR 2 HA THR 2 10.963 -3.365 1.992 685 HB THR 2 HB THR 2 8.616 -2.069 1.487 686 HG1 THR 2 HG1 THR 2 9.485 0.119 2.479 687 1HG2 THR 2 1HG2 THR 2 10.164 -1.327 3.949 688 2HG2 THR 2 2HG2 THR 2 9.755 -3.018 3.657 689 3HG2 THR 2 3HG2 THR 2 8.475 -1.812 3.799 690 HA PRO 3 HA PRO 3 11.004 -4.259 -2.465 691 1HB PRO 3 1HB PRO 3 10.463 -6.919 -2.160 692 2HB PRO 3 2HB PRO 3 12.097 -6.244 -2.001 693 1HG PRO 3 1HG PRO 3 10.191 -7.095 0.098 694 2HG PRO 3 2HG PRO 3 11.956 -7.191 0.067 695 1HD PRO 3 1HD PRO 3 10.502 -5.295 1.445 696 2HD PRO 3 2HD PRO 3 12.197 -5.121 0.964 697 H ILE 4 H ILE 4 9.229 -5.163 -3.866 698 HA ILE 4 HA ILE 4 6.573 -5.372 -2.528 699 HB ILE 4 HB ILE 4 5.701 -3.685 -4.169 700 1HG1 ILE 4 1HG1 ILE 4 8.324 -2.538 -4.739 701 2HG1 ILE 4 2HG1 ILE 4 8.152 -4.153 -5.426 702 1HG2 ILE 4 1HG2 ILE 4 8.015 -2.574 -2.564 703 2HG2 ILE 4 2HG2 ILE 4 6.517 -3.130 -1.817 704 3HG2 ILE 4 3HG2 ILE 4 6.488 -1.780 -2.951 705 1HD1 ILE 4 1HD1 ILE 4 6.432 -1.723 -5.919 706 2HD1 ILE 4 2HD1 ILE 4 5.862 -3.349 -6.292 707 3HD1 ILE 4 3HD1 ILE 4 7.295 -2.710 -7.099 708 H VAL 5 H VAL 5 5.540 -7.117 -3.396 709 HA VAL 5 HA VAL 5 6.505 -8.243 -5.966 710 HB VAL 5 HB VAL 5 6.144 -9.502 -3.758 711 1HG1 VAL 5 1HG1 VAL 5 3.909 -8.369 -3.350 712 2HG1 VAL 5 2HG1 VAL 5 3.896 -10.124 -3.172 713 3HG1 VAL 5 3HG1 VAL 5 3.247 -9.381 -4.634 714 1HG2 VAL 5 1HG2 VAL 5 6.237 -10.445 -6.189 715 2HG2 VAL 5 2HG2 VAL 5 4.497 -10.667 -5.998 716 3HG2 VAL 5 3HG2 VAL 5 5.616 -11.486 -4.908 717 H HIS 6 H HIS 6 5.315 -8.074 -7.839 718 HA HIS 6 HA HIS 6 2.623 -6.783 -7.662 719 1HB HIS 6 1HB HIS 6 4.968 -6.434 -9.237 720 2HB HIS 6 2HB HIS 6 3.704 -7.010 -10.321 721 HD1 HIS 6 HD1 HIS 6 3.432 -4.664 -11.419 722 HD2 HIS 6 HD2 HIS 6 2.684 -4.701 -7.319 723 HE1 HIS 6 HE1 HIS 6 2.324 -2.453 -10.874 724 H LEU 7 H LEU 7 0.863 -8.072 -8.075 725 HA LEU 7 HA LEU 7 1.331 -10.677 -9.488 726 1HB LEU 7 1HB LEU 7 0.664 -11.113 -7.267 727 2HB LEU 7 2HB LEU 7 -0.463 -9.757 -7.246 728 HG LEU 7 HG LEU 7 -1.897 -10.934 -8.886 729 1HD1 LEU 7 1HD1 LEU 7 -0.011 -12.242 -9.915 730 2HD1 LEU 7 2HD1 LEU 7 -1.422 -13.224 -9.524 731 3HD1 LEU 7 3HD1 LEU 7 -0.003 -13.265 -8.479 732 1HD2 LEU 7 1HD2 LEU 7 -1.501 -11.569 -6.164 733 2HD2 LEU 7 2HD2 LEU 7 -1.716 -13.113 -6.988 734 3HD2 LEU 7 3HD2 LEU 7 -2.952 -11.864 -7.123 735 H LYS 8 H LYS 8 0.188 -11.016 -11.357 736 HA LYS 8 HA LYS 8 -2.227 -9.345 -11.908 737 1HB LYS 8 1HB LYS 8 -0.211 -8.267 -12.872 738 2HB LYS 8 2HB LYS 8 0.168 -9.758 -13.733 739 1HG LYS 8 1HG LYS 8 -2.046 -9.600 -14.889 740 2HG LYS 8 2HG LYS 8 -2.300 -8.038 -14.109 741 1HD LYS 8 1HD LYS 8 -0.877 -6.973 -15.518 742 2HD LYS 8 2HD LYS 8 0.306 -8.280 -15.451 743 1HE LYS 8 1HE LYS 8 -1.754 -9.469 -16.843 744 2HE LYS 8 2HE LYS 8 -1.821 -7.796 -17.432 745 1HZ LYS 8 1HZ LYS 8 0.679 -9.383 -17.197 746 2HZ LYS 8 2HZ LYS 8 0.511 -7.843 -17.893 747 3HZ LYS 8 3HZ LYS 8 -0.189 -9.196 -18.642 748 H GLY 9 H GLY 9 -3.441 -10.270 -13.835 749 1HA GLY 9 1HA GLY 9 -3.101 -12.562 -15.244 750 2HA GLY 9 2HA GLY 9 -3.466 -13.210 -13.644 751 H ASP 10 H ASP 10 -5.344 -14.071 -15.058 752 HA ASP 10 HA ASP 10 -7.429 -12.323 -15.964 753 1HB ASP 10 1HB ASP 10 -6.852 -15.136 -15.656 754 2HB ASP 10 2HB ASP 10 -8.507 -14.812 -15.139 755 H ALA 11 H ALA 11 -9.104 -11.365 -14.844 756 HA ALA 11 HA ALA 11 -9.063 -10.860 -12.092 757 1HB ALA 11 1HB ALA 11 -10.988 -9.721 -12.592 758 2HB ALA 11 2HB ALA 11 -10.554 -10.130 -14.251 759 3HB ALA 11 3HB ALA 11 -11.723 -11.120 -13.377 760 H ASN 12 H ASN 12 -11.005 -13.357 -13.775 761 HA ASN 12 HA ASN 12 -12.356 -14.484 -11.605 762 1HB ASN 12 1HB ASN 12 -11.767 -15.070 -14.300 763 2HB ASN 12 2HB ASN 12 -11.315 -16.515 -13.393 764 1HD2 ASN 12 1HD2 ASN 12 -13.010 -17.875 -12.736 765 2HD2 ASN 12 2HD2 ASN 12 -14.654 -17.460 -12.802 766 H THR 13 H THR 13 -9.184 -15.617 -12.852 767 HA THR 13 HA THR 13 -8.649 -17.506 -10.808 768 HB THR 13 HB THR 13 -6.579 -15.779 -12.171 769 HG1 THR 13 HG1 THR 13 -6.863 -17.351 -13.907 770 1HG2 THR 13 1HG2 THR 13 -6.754 -18.602 -11.144 771 2HG2 THR 13 2HG2 THR 13 -5.538 -17.374 -10.796 772 3HG2 THR 13 3HG2 THR 13 -5.567 -18.166 -12.372 773 H LEU 14 H LEU 14 -8.330 -14.000 -10.792 774 HA LEU 14 HA LEU 14 -6.560 -13.818 -8.512 775 1HB LEU 14 1HB LEU 14 -8.500 -11.971 -9.914 776 2HB LEU 14 2HB LEU 14 -7.552 -11.440 -8.525 777 HG LEU 14 HG LEU 14 -6.363 -12.646 -11.038 778 1HD1 LEU 14 1HD1 LEU 14 -5.558 -9.979 -10.783 779 2HD1 LEU 14 2HD1 LEU 14 -7.287 -9.951 -10.432 780 3HD1 LEU 14 3HD1 LEU 14 -6.707 -10.615 -11.960 781 1HD2 LEU 14 1HD2 LEU 14 -4.475 -12.767 -9.815 782 2HD2 LEU 14 2HD2 LEU 14 -5.348 -12.164 -8.405 783 3HD2 LEU 14 3HD2 LEU 14 -4.568 -11.032 -9.510 784 H LYS 15 H LYS 15 -10.072 -14.035 -8.888 785 HA LYS 15 HA LYS 15 -10.878 -13.213 -6.290 786 1HB LYS 15 1HB LYS 15 -12.241 -13.715 -8.387 787 2HB LYS 15 2HB LYS 15 -12.094 -15.422 -7.967 788 1HG LYS 15 1HG LYS 15 -13.291 -15.136 -5.932 789 2HG LYS 15 2HG LYS 15 -13.145 -13.379 -6.006 790 1HD LYS 15 1HD LYS 15 -14.408 -14.404 -8.407 791 2HD LYS 15 2HD LYS 15 -15.286 -14.925 -6.968 792 1HE LYS 15 1HE LYS 15 -15.761 -12.727 -6.300 793 2HE LYS 15 2HE LYS 15 -14.402 -12.052 -7.221 794 1HZ LYS 15 1HZ LYS 15 -16.122 -13.504 -8.937 795 2HZ LYS 15 2HZ LYS 15 -15.682 -11.865 -9.010 796 3HZ LYS 15 3HZ LYS 15 -17.024 -12.347 -8.086 797 H CYS 16 H CYS 16 -9.914 -16.444 -7.481 798 HA CYS 16 HA CYS 16 -10.402 -17.811 -4.985 799 1HB CYS 16 1HB CYS 16 -10.142 -18.655 -7.429 800 2HB CYS 16 2HB CYS 16 -8.409 -18.618 -7.102 801 HG CYS 16 HG CYS 16 -9.173 -20.168 -4.901 802 H LEU 17 H LEU 17 -7.523 -16.275 -6.407 803 HA LEU 17 HA LEU 17 -5.564 -17.207 -4.581 804 1HB LEU 17 1HB LEU 17 -5.902 -14.598 -6.089 805 2HB LEU 17 2HB LEU 17 -4.401 -15.084 -5.299 806 HG LEU 17 HG LEU 17 -5.780 -16.880 -7.295 807 1HD1 LEU 17 1HD1 LEU 17 -5.255 -15.435 -8.941 808 2HD1 LEU 17 2HD1 LEU 17 -3.556 -15.654 -8.521 809 3HD1 LEU 17 3HD1 LEU 17 -4.481 -14.342 -7.794 810 1HD2 LEU 17 1HD2 LEU 17 -3.010 -17.148 -7.423 811 2HD2 LEU 17 2HD2 LEU 17 -4.109 -18.218 -6.553 812 3HD2 LEU 17 3HD2 LEU 17 -3.321 -16.886 -5.708 813 H ARG 18 H ARG 18 -7.335 -14.088 -4.458 814 HA ARG 18 HA ARG 18 -6.422 -13.045 -2.066 815 1HB ARG 18 1HB ARG 18 -8.183 -12.245 -3.787 816 2HB ARG 18 2HB ARG 18 -9.351 -13.112 -2.788 817 1HG ARG 18 1HG ARG 18 -9.014 -11.707 -0.944 818 2HG ARG 18 2HG ARG 18 -7.433 -11.174 -1.519 819 1HD ARG 18 1HD ARG 18 -9.230 -9.425 -1.789 820 2HD ARG 18 2HD ARG 18 -8.490 -9.898 -3.332 821 HE ARG 18 HE ARG 18 -10.527 -10.939 -3.936 822 1HH1 ARG 18 1HH1 ARG 18 -11.015 -9.193 -1.149 823 2HH1 ARG 18 2HH1 ARG 18 -12.365 -10.116 -0.579 824 1HH2 ARG 18 1HH2 ARG 18 -12.002 -12.616 -2.954 825 2HH2 ARG 18 2HH2 ARG 18 -12.924 -12.053 -1.600 826 H TYR 19 H TYR 19 -8.364 -15.922 -2.458 827 HA TYR 19 HA TYR 19 -9.577 -16.040 0.132 828 1HB TYR 19 1HB TYR 19 -10.137 -17.400 -1.890 829 2HB TYR 19 2HB TYR 19 -8.617 -18.274 -1.684 830 HD1 TYR 19 HD1 TYR 19 -11.933 -17.585 -0.181 831 HD2 TYR 19 HD2 TYR 19 -8.336 -19.925 0.051 832 HE1 TYR 19 HE1 TYR 19 -13.018 -19.088 1.466 833 HE2 TYR 19 HE2 TYR 19 -9.422 -21.429 1.698 834 HH TYR 19 HH TYR 19 -11.204 -21.571 3.159 835 H ARG 20 H ARG 20 -6.690 -17.843 -1.030 836 HA ARG 20 HA ARG 20 -5.890 -18.686 1.604 837 1HB ARG 20 1HB ARG 20 -4.338 -18.383 -0.990 838 2HB ARG 20 2HB ARG 20 -3.837 -19.362 0.389 839 1HG ARG 20 1HG ARG 20 -5.924 -20.698 0.169 840 2HG ARG 20 2HG ARG 20 -6.352 -19.756 -1.260 841 1HD ARG 20 1HD ARG 20 -3.947 -20.479 -2.094 842 2HD ARG 20 2HD ARG 20 -4.173 -21.797 -0.926 843 HE ARG 20 HE ARG 20 -6.024 -21.223 -3.205 844 1HH1 ARG 20 1HH1 ARG 20 -4.242 -23.681 -3.075 845 2HH1 ARG 20 2HH1 ARG 20 -5.360 -24.883 -2.518 846 1HH2 ARG 20 1HH2 ARG 20 -7.720 -22.576 -1.454 847 2HH2 ARG 20 2HH2 ARG 20 -7.328 -24.256 -1.599 848 H PHE 21 H PHE 21 -5.578 -15.673 -0.033 849 HA PHE 21 HA PHE 21 -3.102 -14.725 1.080 850 1HB PHE 21 1HB PHE 21 -5.593 -13.562 -0.126 851 2HB PHE 21 2HB PHE 21 -4.414 -12.477 0.611 852 HD1 PHE 21 HD1 PHE 21 -3.729 -15.695 -1.143 853 HD2 PHE 21 HD2 PHE 21 -3.468 -11.407 -1.292 854 HE1 PHE 21 HE1 PHE 21 -2.313 -15.851 -3.175 855 HE2 PHE 21 HE2 PHE 21 -2.051 -11.564 -3.323 856 HZ PHE 21 HZ PHE 21 -1.475 -13.785 -4.264 857 H LYS 22 H LYS 22 -6.480 -14.510 2.213 858 HA LYS 22 HA LYS 22 -6.017 -12.815 4.467 859 1HB LYS 22 1HB LYS 22 -8.061 -15.006 3.975 860 2HB LYS 22 2HB LYS 22 -8.210 -13.731 5.185 861 1HG LYS 22 1HG LYS 22 -7.736 -13.028 2.298 862 2HG LYS 22 2HG LYS 22 -9.364 -13.395 2.870 863 1HD LYS 22 1HD LYS 22 -9.190 -11.649 4.577 864 2HD LYS 22 2HD LYS 22 -7.530 -11.308 4.086 865 1HE LYS 22 1HE LYS 22 -8.683 -9.668 2.882 866 2HE LYS 22 2HE LYS 22 -8.673 -10.987 1.694 867 1HZ LYS 22 1HZ LYS 22 -10.912 -10.467 1.845 868 2HZ LYS 22 2HZ LYS 22 -10.841 -10.152 3.513 869 3HZ LYS 22 3HZ LYS 22 -10.774 -11.751 2.944 870 H LYS 23 H LYS 23 -5.466 -16.247 3.981 871 HA LYS 23 HA LYS 23 -5.333 -16.956 6.798 872 1HB LYS 23 1HB LYS 23 -4.170 -18.303 4.338 873 2HB LYS 23 2HB LYS 23 -4.503 -19.071 5.890 874 1HG LYS 23 1HG LYS 23 -6.827 -17.661 4.793 875 2HG LYS 23 2HG LYS 23 -6.257 -18.965 3.752 876 1HD LYS 23 1HD LYS 23 -6.985 -20.553 5.183 877 2HD LYS 23 2HD LYS 23 -6.270 -19.732 6.570 878 1HE LYS 23 1HE LYS 23 -8.239 -18.722 7.132 879 2HE LYS 23 2HE LYS 23 -8.644 -18.374 5.438 880 1HZ LYS 23 1HZ LYS 23 -8.994 -20.830 5.179 881 2HZ LYS 23 2HZ LYS 23 -10.142 -20.044 6.154 882 3HZ LYS 23 3HZ LYS 23 -8.903 -20.962 6.868 883 H HIS 24 H HIS 24 -2.924 -16.076 4.320 884 HA HIS 24 HA HIS 24 -0.733 -16.346 6.305 885 1HB HIS 24 1HB HIS 24 -0.707 -15.527 3.383 886 2HB HIS 24 2HB HIS 24 0.676 -16.061 4.339 887 HD1 HIS 24 HD1 HIS 24 -0.635 -18.475 5.774 888 HD2 HIS 24 HD2 HIS 24 -0.990 -17.730 1.687 889 HE1 HIS 24 HE1 HIS 24 -1.197 -20.693 4.689 890 H CYS 25 H CYS 25 -2.561 -14.295 6.962 891 HA CYS 25 HA CYS 25 -2.002 -11.704 5.966 892 1HB CYS 25 1HB CYS 25 -3.016 -10.984 8.048 893 2HB CYS 25 2HB CYS 25 -3.819 -12.473 7.546 894 HG CYS 25 HG CYS 25 -3.144 -13.382 9.744 895 H THR 26 H THR 26 -0.005 -13.832 7.798 896 HA THR 26 HA THR 26 1.711 -11.630 8.820 897 HB THR 26 HB THR 26 2.786 -13.495 10.039 898 HG1 THR 26 HG1 THR 26 2.574 -15.428 9.295 899 1HG2 THR 26 1HG2 THR 26 0.958 -14.000 11.478 900 2HG2 THR 26 2HG2 THR 26 -0.210 -13.858 10.165 901 3HG2 THR 26 3HG2 THR 26 0.589 -12.418 10.793 902 H LEU 27 H LEU 27 1.415 -13.224 5.946 903 HA LEU 27 HA LEU 27 4.302 -13.712 5.496 904 1HB LEU 27 1HB LEU 27 1.696 -14.350 4.229 905 2HB LEU 27 2HB LEU 27 3.049 -14.136 3.115 906 HG LEU 27 HG LEU 27 2.977 -16.011 5.499 907 1HD1 LEU 27 1HD1 LEU 27 1.958 -16.348 2.928 908 2HD1 LEU 27 2HD1 LEU 27 2.366 -17.640 4.056 909 3HD1 LEU 27 3HD1 LEU 27 3.544 -17.115 2.854 910 1HD2 LEU 27 1HD2 LEU 27 5.176 -16.724 4.116 911 2HD2 LEU 27 2HD2 LEU 27 5.226 -15.532 5.416 912 3HD2 LEU 27 3HD2 LEU 27 5.156 -15.002 3.735 913 H TYR 28 H TYR 28 1.841 -11.309 4.797 914 HA TYR 28 HA TYR 28 3.878 -9.772 3.217 915 1HB TYR 28 1HB TYR 28 1.911 -8.841 2.006 916 2HB TYR 28 2HB TYR 28 2.000 -10.596 1.857 917 HD1 TYR 28 HD1 TYR 28 0.335 -12.025 2.825 918 HD2 TYR 28 HD2 TYR 28 0.287 -7.798 3.591 919 HE1 TYR 28 HE1 TYR 28 -1.933 -12.229 3.808 920 HE2 TYR 28 HE2 TYR 28 -1.980 -8.001 4.576 921 HH TYR 28 HH TYR 28 -3.582 -9.404 5.224 922 H THR 29 H THR 29 3.265 -7.303 3.310 923 HA THR 29 HA THR 29 2.839 -6.640 6.182 924 HB THR 29 HB THR 29 3.866 -4.949 3.886 925 HG1 THR 29 HG1 THR 29 5.025 -6.921 5.452 926 1HG2 THR 29 1HG2 THR 29 5.068 -4.107 6.201 927 2HG2 THR 29 2HG2 THR 29 3.464 -4.560 6.778 928 3HG2 THR 29 3HG2 THR 29 3.635 -3.364 5.492 929 H ALA 30 H ALA 30 1.545 -5.831 2.951 930 HA ALA 30 HA ALA 30 -0.948 -4.908 4.198 931 1HB ALA 30 1HB ALA 30 0.904 -3.020 2.712 932 2HB ALA 30 2HB ALA 30 -0.718 -2.615 3.275 933 3HB ALA 30 3HB ALA 30 0.555 -2.978 4.440 934 H VAL 31 H VAL 31 -2.526 -5.635 2.833 935 HA VAL 31 HA VAL 31 -1.865 -6.252 0.017 936 HB VAL 31 HB VAL 31 -3.154 -7.732 1.650 937 1HG1 VAL 31 1HG1 VAL 31 -5.357 -7.187 2.259 938 2HG1 VAL 31 2HG1 VAL 31 -5.508 -5.978 0.985 939 3HG1 VAL 31 3HG1 VAL 31 -4.522 -5.640 2.407 940 1HG2 VAL 31 1HG2 VAL 31 -4.231 -8.719 -0.123 941 2HG2 VAL 31 2HG2 VAL 31 -3.294 -7.541 -1.043 942 3HG2 VAL 31 3HG2 VAL 31 -4.979 -7.209 -0.642 943 H SER 32 H SER 32 -2.174 -4.696 -1.519 944 HA SER 32 HA SER 32 -3.775 -2.293 -0.974 945 1HB SER 32 1HB SER 32 -2.948 -1.895 -3.418 946 2HB SER 32 2HB SER 32 -1.748 -1.963 -2.131 947 HG SER 32 HG SER 32 -0.921 -3.481 -3.329 948 H SER 33 H SER 33 -5.669 -1.662 -2.193 949 HA SER 33 HA SER 33 -7.513 -3.738 -2.879 950 1HB SER 33 1HB SER 33 -8.776 -1.871 -2.686 951 2HB SER 33 2HB SER 33 -7.335 -0.863 -2.758 952 HG SER 33 HG SER 33 -9.181 -0.988 -4.544 953 H THR 34 H THR 34 -8.346 -4.247 -5.074 954 HA THR 34 HA THR 34 -6.254 -4.733 -7.000 955 HB THR 34 HB THR 34 -9.284 -4.832 -7.067 956 HG1 THR 34 HG1 THR 34 -8.331 -6.368 -5.760 957 1HG2 THR 34 1HG2 THR 34 -8.352 -4.476 -9.349 958 2HG2 THR 34 2HG2 THR 34 -9.087 -6.068 -9.163 959 3HG2 THR 34 3HG2 THR 34 -7.332 -5.898 -9.127 960 H TRP 35 H TRP 35 -5.587 -3.443 -8.713 961 HA TRP 35 HA TRP 35 -7.325 -1.185 -9.568 962 1HB TRP 35 1HB TRP 35 -5.526 0.410 -9.197 963 2HB TRP 35 2HB TRP 35 -5.801 -0.474 -7.699 964 HD1 TRP 35 HD1 TRP 35 -3.865 -1.895 -6.749 965 HE1 TRP 35 HE1 TRP 35 -1.429 -2.329 -7.479 966 HE3 TRP 35 HE3 TRP 35 -3.968 0.153 -11.427 967 HZ2 TRP 35 HZ2 TRP 35 0.251 -1.868 -9.751 968 HZ3 TRP 35 HZ3 TRP 35 -1.941 0.142 -12.850 969 HH2 TRP 35 HH2 TRP 35 0.167 -0.862 -12.019 970 H HIS 36 H HIS 36 -7.411 -1.326 -11.745 971 HA HIS 36 HA HIS 36 -5.467 -2.900 -13.260 972 1HB HIS 36 1HB HIS 36 -6.989 -1.928 -15.175 973 2HB HIS 36 2HB HIS 36 -7.651 -3.111 -14.048 974 HD1 HIS 36 HD1 HIS 36 -10.043 -2.337 -13.870 975 HD2 HIS 36 HD2 HIS 36 -7.336 0.780 -13.297 976 HE1 HIS 36 HE1 HIS 36 -11.403 -0.339 -13.109 977 H TRP 37 H TRP 37 -4.304 -2.004 -15.152 978 HA TRP 37 HA TRP 37 -2.923 0.479 -14.473 979 1HB TRP 37 1HB TRP 37 -2.627 -1.843 -16.184 980 2HB TRP 37 2HB TRP 37 -2.278 -0.371 -17.089 981 HD1 TRP 37 HD1 TRP 37 -0.160 -2.641 -15.929 982 HE1 TRP 37 HE1 TRP 37 1.854 -1.762 -14.582 983 HE3 TRP 37 HE3 TRP 37 -1.913 1.981 -14.617 984 HZ2 TRP 37 HZ2 TRP 37 2.620 0.580 -13.139 985 HZ3 TRP 37 HZ3 TRP 37 -0.520 3.507 -13.252 986 HH2 TRP 37 HH2 TRP 37 1.743 2.816 -12.515 987 H THR 38 H THR 38 -5.528 1.263 -14.777 988 HA THR 38 HA THR 38 -5.420 2.858 -17.289 989 HB THR 38 HB THR 38 -6.701 0.651 -17.542 990 HG1 THR 38 HG1 THR 38 -7.918 1.662 -18.939 991 1HG2 THR 38 1HG2 THR 38 -7.903 1.626 -15.159 992 2HG2 THR 38 2HG2 THR 38 -8.288 0.146 -16.037 993 3HG2 THR 38 3HG2 THR 38 -9.143 1.641 -16.413 994 H GLY 39 H GLY 39 -7.535 4.374 -17.202 995 1HA GLY 39 1HA GLY 39 -7.285 5.968 -14.806 996 2HA GLY 39 2HA GLY 39 -8.456 6.236 -16.097 997 H HIS 40 H HIS 40 -9.474 6.653 -13.669 998 HA HIS 40 HA HIS 40 -10.450 4.403 -12.203 999 1HB HIS 40 1HB HIS 40 -10.377 6.939 -11.674 1000 2HB HIS 40 2HB HIS 40 -11.891 7.034 -12.575 1001 HD1 HIS 40 HD1 HIS 40 -10.508 4.725 -9.853 1002 HD2 HIS 40 HD2 HIS 40 -14.017 6.734 -10.861 1003 HE1 HIS 40 HE1 HIS 40 -12.183 4.204 -8.026 1004 H ASN 41 H ASN 41 -12.329 6.498 -14.424 1005 HA ASN 41 HA ASN 41 -14.526 4.669 -14.680 1006 1HB ASN 41 1HB ASN 41 -14.433 7.169 -15.117 1007 2HB ASN 41 2HB ASN 41 -13.592 6.800 -16.624 1008 1HD2 ASN 41 1HD2 ASN 41 -16.710 6.571 -14.960 1009 2HD2 ASN 41 2HD2 ASN 41 -17.607 6.119 -16.328 1010 H VAL 42 H VAL 42 -13.801 2.586 -15.318 1011 HA VAL 42 HA VAL 42 -13.050 2.346 -18.177 1012 HB VAL 42 HB VAL 42 -10.954 2.571 -16.826 1013 1HG1 VAL 42 1HG1 VAL 42 -11.005 1.623 -14.776 1014 2HG1 VAL 42 2HG1 VAL 42 -10.740 0.084 -15.595 1015 3HG1 VAL 42 3HG1 VAL 42 -12.380 0.604 -15.205 1016 1HG2 VAL 42 1HG2 VAL 42 -11.667 0.094 -18.346 1017 2HG2 VAL 42 2HG2 VAL 42 -10.107 0.143 -17.525 1018 3HG2 VAL 42 3HG2 VAL 42 -10.501 1.355 -18.745 1019 H LYS 43 H LYS 43 -13.470 0.175 -18.990 1020 HA LYS 43 HA LYS 43 -15.043 -1.555 -17.107 1021 1HB LYS 43 1HB LYS 43 -15.647 -0.365 -19.768 1022 2HB LYS 43 2HB LYS 43 -16.212 -2.014 -19.496 1023 1HG LYS 43 1HG LYS 43 -16.877 -0.737 -17.132 1024 2HG LYS 43 2HG LYS 43 -17.187 0.501 -18.349 1025 1HD LYS 43 1HD LYS 43 -19.183 -0.566 -18.599 1026 2HD LYS 43 2HD LYS 43 -18.247 -1.709 -19.564 1027 1HE LYS 43 1HE LYS 43 -18.020 -3.228 -17.734 1028 2HE LYS 43 2HE LYS 43 -18.570 -2.012 -16.564 1029 1HZ LYS 43 1HZ LYS 43 -20.594 -1.948 -18.243 1030 2HZ LYS 43 2HZ LYS 43 -20.545 -3.038 -16.941 1031 3HZ LYS 43 3HZ LYS 43 -20.119 -3.555 -18.503 1032 H HIS 44 H HIS 44 -12.766 -1.353 -19.776 1033 HA HIS 44 HA HIS 44 -12.636 -3.871 -20.868 1034 1HB HIS 44 1HB HIS 44 -10.843 -1.674 -20.291 1035 2HB HIS 44 2HB HIS 44 -9.978 -3.208 -20.173 1036 HD1 HIS 44 HD1 HIS 44 -11.731 -4.703 -22.360 1037 HD2 HIS 44 HD2 HIS 44 -9.883 -1.000 -22.861 1038 HE1 HIS 44 HE1 HIS 44 -11.441 -4.379 -24.855 1039 H LYS 45 H LYS 45 -11.743 -5.905 -20.258 1040 HA LYS 45 HA LYS 45 -12.021 -6.655 -17.488 1041 1HB LYS 45 1HB LYS 45 -12.431 -8.151 -19.391 1042 2HB LYS 45 2HB LYS 45 -10.741 -8.022 -19.878 1043 1HG LYS 45 1HG LYS 45 -9.980 -9.239 -18.011 1044 2HG LYS 45 2HG LYS 45 -11.476 -8.973 -17.114 1045 1HD LYS 45 1HD LYS 45 -12.385 -10.264 -19.367 1046 2HD LYS 45 2HD LYS 45 -10.828 -11.048 -19.099 1047 1HE LYS 45 1HE LYS 45 -12.271 -10.693 -16.589 1048 2HE LYS 45 2HE LYS 45 -13.205 -11.649 -17.757 1049 1HZ LYS 45 1HZ LYS 45 -10.317 -12.095 -17.261 1050 2HZ LYS 45 2HZ LYS 45 -11.399 -13.102 -18.099 1051 3HZ LYS 45 3HZ LYS 45 -11.525 -12.932 -16.413 1052 H SER 46 H SER 46 -10.554 -6.056 -15.943 1053 HA SER 46 HA SER 46 -7.709 -6.689 -16.293 1054 1HB SER 46 1HB SER 46 -8.405 -3.813 -15.726 1055 2HB SER 46 2HB SER 46 -6.906 -4.478 -16.370 1056 HG SER 46 HG SER 46 -8.816 -3.445 -17.748 1057 H ALA 47 H ALA 47 -6.625 -6.726 -14.236 1058 HA ALA 47 HA ALA 47 -7.713 -5.572 -11.830 1059 1HB ALA 47 1HB ALA 47 -9.475 -7.226 -12.314 1060 2HB ALA 47 2HB ALA 47 -8.265 -8.508 -12.379 1061 3HB ALA 47 3HB ALA 47 -8.594 -7.684 -10.855 1062 H ILE 48 H ILE 48 -5.922 -5.401 -10.539 1063 HA ILE 48 HA ILE 48 -3.983 -7.678 -10.462 1064 HB ILE 48 HB ILE 48 -3.342 -4.745 -10.919 1065 1HG1 ILE 48 1HG1 ILE 48 -3.190 -7.174 -12.731 1066 2HG1 ILE 48 2HG1 ILE 48 -4.273 -5.794 -12.918 1067 1HG2 ILE 48 1HG2 ILE 48 -1.759 -6.471 -9.601 1068 2HG2 ILE 48 2HG2 ILE 48 -1.110 -5.261 -10.707 1069 3HG2 ILE 48 3HG2 ILE 48 -1.334 -6.923 -11.252 1070 1HD1 ILE 48 1HD1 ILE 48 -1.244 -5.659 -13.004 1071 2HD1 ILE 48 2HD1 ILE 48 -2.348 -4.303 -13.238 1072 3HD1 ILE 48 3HD1 ILE 48 -2.304 -5.617 -14.414 1073 H VAL 49 H VAL 49 -3.079 -7.976 -8.426 1074 HA VAL 49 HA VAL 49 -3.797 -5.970 -6.312 1075 HB VAL 49 HB VAL 49 -3.720 -8.997 -6.347 1076 1HG1 VAL 49 1HG1 VAL 49 -4.647 -7.894 -3.852 1077 2HG1 VAL 49 2HG1 VAL 49 -3.023 -7.296 -4.187 1078 3HG1 VAL 49 3HG1 VAL 49 -3.328 -9.032 -4.131 1079 1HG2 VAL 49 1HG2 VAL 49 -6.039 -8.867 -6.017 1080 2HG2 VAL 49 2HG2 VAL 49 -5.744 -7.512 -7.106 1081 3HG2 VAL 49 3HG2 VAL 49 -5.954 -7.225 -5.378 1082 H THR 50 H THR 50 -1.948 -4.993 -5.590 1083 HA THR 50 HA THR 50 0.663 -6.368 -5.879 1084 HB THR 50 HB THR 50 -0.228 -3.574 -5.106 1085 HG1 THR 50 HG1 THR 50 -0.461 -4.019 -7.275 1086 1HG2 THR 50 1HG2 THR 50 2.347 -4.921 -4.792 1087 2HG2 THR 50 2HG2 THR 50 1.807 -3.369 -4.153 1088 3HG2 THR 50 3HG2 THR 50 2.460 -3.470 -5.789 1089 H LEU 51 H LEU 51 2.097 -6.608 -4.039 1090 HA LEU 51 HA LEU 51 0.803 -6.346 -1.354 1091 1HB LEU 51 1HB LEU 51 2.061 -8.735 -2.702 1092 2HB LEU 51 2HB LEU 51 2.003 -8.625 -0.941 1093 HG LEU 51 HG LEU 51 -0.533 -8.041 -1.360 1094 1HD1 LEU 51 1HD1 LEU 51 -0.604 -9.936 -3.541 1095 2HD1 LEU 51 2HD1 LEU 51 0.365 -8.533 -3.989 1096 3HD1 LEU 51 3HD1 LEU 51 -1.302 -8.318 -3.457 1097 1HD2 LEU 51 1HD2 LEU 51 0.267 -10.906 -1.856 1098 2HD2 LEU 51 2HD2 LEU 51 -1.059 -10.286 -0.872 1099 3HD2 LEU 51 3HD2 LEU 51 0.604 -10.135 -0.306 1100 H THR 52 H THR 52 2.196 -5.484 0.153 1101 HA THR 52 HA THR 52 4.974 -4.886 -0.729 1102 HB THR 52 HB THR 52 4.441 -3.713 1.762 1103 HG1 THR 52 HG1 THR 52 2.367 -2.815 1.384 1104 1HG2 THR 52 1HG2 THR 52 5.550 -2.541 -0.005 1105 2HG2 THR 52 2HG2 THR 52 4.057 -1.659 0.318 1106 3HG2 THR 52 3HG2 THR 52 4.166 -2.726 -1.082 1107 H TYR 53 H TYR 53 6.669 -6.038 0.074 1108 HA TYR 53 HA TYR 53 6.203 -7.779 2.466 1109 1HB TYR 53 1HB TYR 53 7.964 -7.899 0.016 1110 2HB TYR 53 2HB TYR 53 8.312 -8.897 1.427 1111 HD1 TYR 53 HD1 TYR 53 5.359 -7.913 -0.681 1112 HD2 TYR 53 HD2 TYR 53 7.381 -11.027 1.479 1113 HE1 TYR 53 HE1 TYR 53 3.632 -9.538 -1.409 1114 HE2 TYR 53 HE2 TYR 53 5.653 -12.654 0.752 1115 HH TYR 53 HH TYR 53 2.710 -11.687 -0.690 1116 H ASP 54 H ASP 54 7.759 -7.707 4.167 1117 HA ASP 54 HA ASP 54 9.280 -5.188 4.359 1118 1HB ASP 54 1HB ASP 54 8.803 -7.510 6.255 1119 2HB ASP 54 2HB ASP 54 9.570 -5.985 6.702 1120 H SER 55 H SER 55 9.923 -8.378 3.335 1121 HA SER 55 HA SER 55 12.823 -7.817 3.282 1122 1HB SER 55 1HB SER 55 13.116 -8.916 5.249 1123 2HB SER 55 2HB SER 55 11.464 -9.527 5.233 1124 HG SER 55 HG SER 55 13.774 -10.583 3.983 1125 H GLU 56 H GLU 56 13.672 -8.697 1.422 1126 HA GLU 56 HA GLU 56 12.107 -9.924 -0.583 1127 1HB GLU 56 1HB GLU 56 15.060 -9.854 0.062 1128 2HB GLU 56 2HB GLU 56 14.457 -10.632 -1.402 1129 1HG GLU 56 1HG GLU 56 13.579 -7.837 -0.725 1130 2HG GLU 56 2HG GLU 56 15.142 -8.106 -1.498 1131 H TRP 57 H TRP 57 14.093 -11.399 1.978 1132 HA TRP 57 HA TRP 57 14.047 -14.098 1.175 1133 1HB TRP 57 1HB TRP 57 15.254 -13.057 3.112 1134 2HB TRP 57 2HB TRP 57 13.717 -12.966 3.973 1135 HD1 TRP 57 HD1 TRP 57 12.897 -15.079 5.184 1136 HE1 TRP 57 HE1 TRP 57 13.765 -17.498 5.397 1137 HE3 TRP 57 HE3 TRP 57 16.615 -14.992 1.683 1138 HZ2 TRP 57 HZ2 TRP 57 15.775 -19.175 4.233 1139 HZ3 TRP 57 HZ3 TRP 57 17.990 -17.009 1.255 1140 HH2 TRP 57 HH2 TRP 57 17.575 -19.098 2.525 1141 H GLN 58 H GLN 58 11.689 -12.444 3.311 1142 HA GLN 58 HA GLN 58 9.868 -14.581 3.616 1143 1HB GLN 58 1HB GLN 58 9.906 -12.407 4.844 1144 2HB GLN 58 2HB GLN 58 9.315 -11.602 3.391 1145 1HG GLN 58 1HG GLN 58 7.236 -12.787 3.464 1146 2HG GLN 58 2HG GLN 58 7.840 -13.902 4.691 1147 1HE2 GLN 58 1HE2 GLN 58 6.752 -10.554 4.161 1148 2HE2 GLN 58 2HE2 GLN 58 6.532 -10.188 5.803 1149 H ARG 59 H ARG 59 10.342 -12.385 0.901 1150 HA ARG 59 HA ARG 59 7.870 -12.742 -0.462 1151 1HB ARG 59 1HB ARG 59 9.746 -11.123 -0.942 1152 2HB ARG 59 2HB ARG 59 10.651 -12.465 -1.644 1153 1HG ARG 59 1HG ARG 59 8.909 -12.827 -3.308 1154 2HG ARG 59 2HG ARG 59 7.899 -11.587 -2.564 1155 1HD ARG 59 1HD ARG 59 9.180 -9.848 -3.399 1156 2HD ARG 59 2HD ARG 59 10.671 -10.811 -3.401 1157 HE ARG 59 HE ARG 59 8.516 -10.980 -5.449 1158 1HH1 ARG 59 1HH1 ARG 59 11.703 -10.495 -5.375 1159 2HH1 ARG 59 2HH1 ARG 59 12.180 -11.875 -6.307 1160 1HH2 ARG 59 1HH2 ARG 59 9.063 -13.389 -6.150 1161 2HH2 ARG 59 2HH2 ARG 59 10.684 -13.514 -6.746 1162 H ASP 60 H ASP 60 10.928 -14.582 -0.787 1163 HA ASP 60 HA ASP 60 10.009 -16.456 -2.726 1164 1HB ASP 60 1HB ASP 60 12.355 -15.851 -1.598 1165 2HB ASP 60 2HB ASP 60 11.954 -17.248 -0.600 1166 H GLN 61 H GLN 61 9.713 -16.437 0.811 1167 HA GLN 61 HA GLN 61 8.889 -19.169 1.129 1168 1HB GLN 61 1HB GLN 61 8.249 -16.659 2.714 1169 2HB GLN 61 2HB GLN 61 8.061 -18.310 3.307 1170 1HG GLN 61 1HG GLN 61 10.588 -18.538 2.595 1171 2HG GLN 61 2HG GLN 61 10.578 -16.779 2.737 1172 1HE2 GLN 61 1HE2 GLN 61 10.481 -15.865 4.856 1173 2HE2 GLN 61 2HE2 GLN 61 10.472 -16.805 6.270 1174 H PHE 62 H PHE 62 6.959 -16.161 0.855 1175 HA PHE 62 HA PHE 62 4.378 -17.297 0.961 1176 1HB PHE 62 1HB PHE 62 4.510 -14.964 1.052 1177 2HB PHE 62 2HB PHE 62 5.670 -14.880 -0.271 1178 HD1 PHE 62 HD1 PHE 62 2.188 -14.726 0.651 1179 HD2 PHE 62 HD2 PHE 62 4.864 -15.451 -2.633 1180 HE1 PHE 62 HE1 PHE 62 0.340 -14.301 -0.950 1181 HE2 PHE 62 HE2 PHE 62 3.017 -15.027 -4.233 1182 HZ PHE 62 HZ PHE 62 0.756 -14.450 -3.391 1183 H LEU 63 H LEU 63 6.572 -16.854 -1.813 1184 HA LEU 63 HA LEU 63 4.822 -17.727 -3.880 1185 1HB LEU 63 1HB LEU 63 7.687 -17.305 -3.383 1186 2HB LEU 63 2HB LEU 63 7.371 -18.554 -4.589 1187 HG LEU 63 HG LEU 63 5.986 -15.874 -4.682 1188 1HD1 LEU 63 1HD1 LEU 63 8.425 -15.487 -4.729 1189 2HD1 LEU 63 2HD1 LEU 63 7.704 -15.172 -6.308 1190 3HD1 LEU 63 3HD1 LEU 63 8.587 -16.672 -6.024 1191 1HD2 LEU 63 1HD2 LEU 63 6.624 -17.270 -7.167 1192 2HD2 LEU 63 2HD2 LEU 63 5.064 -16.692 -6.581 1193 3HD2 LEU 63 3HD2 LEU 63 5.666 -18.271 -6.077 1194 H SER 64 H SER 64 6.579 -19.520 -1.430 1195 HA SER 64 HA SER 64 6.178 -22.113 -2.800 1196 1HB SER 64 1HB SER 64 7.611 -22.926 -1.084 1197 2HB SER 64 2HB SER 64 8.211 -21.305 -1.427 1198 HG SER 64 HG SER 64 7.914 -21.752 0.832 1199 H GLN 65 H GLN 65 4.587 -20.134 -0.428 1200 HA GLN 65 HA GLN 65 3.019 -22.425 0.637 1201 1HB GLN 65 1HB GLN 65 2.934 -19.474 1.333 1202 2HB GLN 65 2HB GLN 65 2.331 -20.814 2.309 1203 1HG GLN 65 1HG GLN 65 5.127 -21.197 1.590 1204 2HG GLN 65 2HG GLN 65 4.885 -19.679 2.456 1205 1HE2 GLN 65 1HE2 GLN 65 5.010 -19.922 4.684 1206 2HE2 GLN 65 2HE2 GLN 65 4.593 -21.328 5.540 1207 H VAL 66 H VAL 66 2.803 -19.894 -1.705 1208 HA VAL 66 HA VAL 66 -0.178 -20.047 -1.783 1209 HB VAL 66 HB VAL 66 1.793 -18.258 -3.242 1210 1HG1 VAL 66 1HG1 VAL 66 -0.633 -16.942 -2.917 1211 2HG1 VAL 66 2HG1 VAL 66 -1.113 -18.595 -3.301 1212 3HG1 VAL 66 3HG1 VAL 66 -0.065 -17.702 -4.403 1213 1HG2 VAL 66 1HG2 VAL 66 1.084 -18.331 -0.488 1214 2HG2 VAL 66 2HG2 VAL 66 0.272 -16.934 -1.196 1215 3HG2 VAL 66 3HG2 VAL 66 2.024 -17.098 -1.328 1216 H LYS 67 H LYS 67 -0.524 -22.037 -2.890 1217 HA LYS 67 HA LYS 67 0.923 -23.050 -5.095 1218 1HB LYS 67 1HB LYS 67 -0.754 -24.293 -3.819 1219 2HB LYS 67 2HB LYS 67 -2.022 -23.204 -4.383 1220 1HG LYS 67 1HG LYS 67 -0.308 -24.682 -6.365 1221 2HG LYS 67 2HG LYS 67 -1.686 -25.477 -5.613 1222 1HD LYS 67 1HD LYS 67 -2.838 -23.130 -6.324 1223 2HD LYS 67 2HD LYS 67 -1.634 -23.286 -7.603 1224 1HE LYS 67 1HE LYS 67 -3.084 -24.695 -8.638 1225 2HE LYS 67 2HE LYS 67 -2.732 -25.861 -7.350 1226 1HZ LYS 67 1HZ LYS 67 -4.428 -24.000 -6.227 1227 2HZ LYS 67 2HZ LYS 67 -4.820 -25.589 -6.672 1228 3HZ LYS 67 3HZ LYS 67 -5.084 -24.312 -7.759 1229 H ILE 68 H ILE 68 1.393 -21.655 -6.800 1230 HA ILE 68 HA ILE 68 -0.729 -19.903 -7.881 1231 HB ILE 68 HB ILE 68 2.203 -20.356 -8.512 1232 1HG1 ILE 68 1HG1 ILE 68 1.199 -17.724 -7.627 1233 2HG1 ILE 68 2HG1 ILE 68 1.027 -19.007 -6.429 1234 1HG2 ILE 68 1HG2 ILE 68 0.479 -19.531 -10.394 1235 2HG2 ILE 68 2HG2 ILE 68 2.096 -18.842 -10.248 1236 3HG2 ILE 68 3HG2 ILE 68 0.711 -17.994 -9.562 1237 1HD1 ILE 68 1HD1 ILE 68 3.201 -17.983 -6.119 1238 2HD1 ILE 68 2HD1 ILE 68 3.574 -18.156 -7.834 1239 3HD1 ILE 68 3HD1 ILE 68 3.447 -19.586 -6.811 1240 HA PRO 69 HA PRO 69 -1.747 -22.927 -10.923 1241 1HB PRO 69 1HB PRO 69 -3.381 -21.378 -12.480 1242 2HB PRO 69 2HB PRO 69 -3.887 -22.039 -10.912 1243 1HG PRO 69 1HG PRO 69 -2.926 -19.303 -11.588 1244 2HG PRO 69 2HG PRO 69 -4.232 -19.805 -10.502 1245 1HD PRO 69 1HD PRO 69 -1.786 -19.048 -9.612 1246 2HD PRO 69 2HD PRO 69 -2.802 -20.231 -8.761 1247 H LYS 70 H LYS 70 -2.241 -22.203 -13.646 1248 HA LYS 70 HA LYS 70 0.539 -21.544 -14.505 1249 1HB LYS 70 1HB LYS 70 -1.809 -22.739 -16.014 1250 2HB LYS 70 2HB LYS 70 -0.127 -22.713 -16.544 1251 1HG LYS 70 1HG LYS 70 0.410 -23.993 -14.386 1252 2HG LYS 70 2HG LYS 70 -1.329 -24.257 -14.240 1253 1HD LYS 70 1HD LYS 70 -1.428 -25.549 -16.197 1254 2HD LYS 70 2HD LYS 70 0.096 -24.907 -16.813 1255 1HE LYS 70 1HE LYS 70 0.348 -27.242 -15.962 1256 2HE LYS 70 2HE LYS 70 1.326 -26.097 -15.022 1257 1HZ LYS 70 1HZ LYS 70 -1.439 -26.928 -14.318 1258 2HZ LYS 70 2HZ LYS 70 -0.417 -25.928 -13.401 1259 3HZ LYS 70 3HZ LYS 70 -0.040 -27.572 -13.608 1260 H THR 71 H THR 71 -1.015 -19.299 -13.705 1261 HA THR 71 HA THR 71 -1.145 -17.842 -16.279 1262 HB THR 71 HB THR 71 -3.524 -17.053 -15.290 1263 HG1 THR 71 HG1 THR 71 -4.421 -18.532 -14.069 1264 1HG2 THR 71 1HG2 THR 71 -2.622 -18.547 -17.428 1265 2HG2 THR 71 2HG2 THR 71 -4.293 -18.042 -17.175 1266 3HG2 THR 71 3HG2 THR 71 -3.765 -19.641 -16.651 1267 H ILE 72 H ILE 72 -0.647 -17.829 -12.866 1268 HA ILE 72 HA ILE 72 -0.883 -14.881 -12.653 1269 HB ILE 72 HB ILE 72 -0.459 -17.225 -10.806 1270 1HG1 ILE 72 1HG1 ILE 72 -2.489 -16.462 -9.806 1271 2HG1 ILE 72 2HG1 ILE 72 -2.381 -14.895 -10.609 1272 1HG2 ILE 72 1HG2 ILE 72 -0.543 -15.034 -9.135 1273 2HG2 ILE 72 2HG2 ILE 72 0.506 -14.472 -10.438 1274 3HG2 ILE 72 3HG2 ILE 72 0.917 -15.936 -9.545 1275 1HD1 ILE 72 1HD1 ILE 72 -2.670 -17.515 -12.102 1276 2HD1 ILE 72 2HD1 ILE 72 -2.812 -15.886 -12.763 1277 3HD1 ILE 72 3HD1 ILE 72 -4.038 -16.497 -11.653 1278 H THR 73 H THR 73 0.910 -13.753 -13.392 1279 HA THR 73 HA THR 73 3.591 -15.028 -13.253 1280 HB THR 73 HB THR 73 2.673 -12.397 -14.455 1281 HG1 THR 73 HG1 THR 73 2.993 -13.934 -16.390 1282 1HG2 THR 73 1HG2 THR 73 5.121 -14.118 -14.936 1283 2HG2 THR 73 2HG2 THR 73 5.099 -12.564 -14.102 1284 3HG2 THR 73 3HG2 THR 73 4.719 -12.648 -15.823 1285 H VAL 74 H VAL 74 5.272 -14.166 -11.992 1286 HA VAL 74 HA VAL 74 4.445 -12.398 -9.779 1287 HB VAL 74 HB VAL 74 7.088 -13.755 -10.388 1288 1HG1 VAL 74 1HG1 VAL 74 7.149 -13.672 -7.805 1289 2HG1 VAL 74 2HG1 VAL 74 5.864 -12.472 -7.945 1290 3HG1 VAL 74 3HG1 VAL 74 7.441 -12.164 -8.671 1291 1HG2 VAL 74 1HG2 VAL 74 6.269 -15.713 -9.520 1292 2HG2 VAL 74 2HG2 VAL 74 4.737 -15.070 -10.111 1293 3HG2 VAL 74 3HG2 VAL 74 5.176 -14.884 -8.413 1294 H SER 75 H SER 75 5.985 -10.658 -9.109 1295 HA SER 75 HA SER 75 7.470 -9.367 -11.351 1296 1HB SER 75 1HB SER 75 4.962 -8.472 -10.041 1297 2HB SER 75 2HB SER 75 6.163 -7.224 -10.359 1298 HG SER 75 HG SER 75 5.785 -7.415 -12.420 1299 H THR 76 H THR 76 8.827 -7.541 -10.565 1300 HA THR 76 HA THR 76 9.429 -7.657 -7.630 1301 HB THR 76 HB THR 76 11.773 -7.829 -8.160 1302 HG1 THR 76 HG1 THR 76 12.176 -6.646 -9.878 1303 1HG2 THR 76 1HG2 THR 76 11.876 -9.950 -9.253 1304 2HG2 THR 76 2HG2 THR 76 10.401 -9.629 -10.164 1305 3HG2 THR 76 3HG2 THR 76 10.321 -9.907 -8.424 1306 H GLY 77 H GLY 77 10.428 -5.611 -6.840 1307 1HA GLY 77 1HA GLY 77 11.016 -3.379 -8.464 1308 2HA GLY 77 2HA GLY 77 9.308 -3.269 -8.041 1309 H PHE 78 H PHE 78 11.881 -1.774 -7.154 1310 HA PHE 78 HA PHE 78 11.835 -2.284 -4.232 1311 1HB PHE 78 1HB PHE 78 13.491 -0.750 -6.209 1312 2HB PHE 78 2HB PHE 78 13.568 -0.293 -4.507 1313 HD1 PHE 78 HD1 PHE 78 15.261 -2.129 -6.832 1314 HD2 PHE 78 HD2 PHE 78 13.472 -2.636 -2.957 1315 HE1 PHE 78 HE1 PHE 78 16.773 -4.043 -6.385 1316 HE2 PHE 78 HE2 PHE 78 14.983 -4.552 -2.510 1317 HZ PHE 78 HZ PHE 78 16.635 -5.255 -4.224 1318 H MET 79 H MET 79 10.909 -0.839 -2.753 1319 HA MET 79 HA MET 79 9.604 1.612 -3.894 1320 1HB MET 79 1HB MET 79 7.636 1.071 -2.713 1321 2HB MET 79 2HB MET 79 8.199 -0.504 -3.270 1322 1HG MET 79 1HG MET 79 7.984 -1.092 -1.080 1323 2HG MET 79 2HG MET 79 9.542 -0.285 -0.902 1324 1HE MET 79 1HE MET 79 5.843 -0.073 -0.983 1325 2HE MET 79 2HE MET 79 5.362 1.304 0.005 1326 3HE MET 79 3HE MET 79 5.982 1.560 -1.632 1327 H SER 80 H SER 80 9.097 3.229 -2.076 1328 HA SER 80 HA SER 80 10.906 3.034 0.272 1329 1HB SER 80 1HB SER 80 11.333 4.615 -2.165 1330 2HB SER 80 2HB SER 80 11.404 5.584 -0.696 1331 HG SER 80 HG SER 80 12.951 4.147 0.107 1332 H ILE 81 H ILE 81 9.356 3.387 1.839 1333 HA ILE 81 HA ILE 81 7.898 5.971 1.785 1334 HB ILE 81 HB ILE 81 6.690 3.204 1.709 1335 1HG1 ILE 81 1HG1 ILE 81 6.072 5.789 0.241 1336 2HG1 ILE 81 2HG1 ILE 81 7.024 4.456 -0.411 1337 1HG2 ILE 81 1HG2 ILE 81 4.540 4.196 2.359 1338 2HG2 ILE 81 2HG2 ILE 81 5.316 5.765 2.582 1339 3HG2 ILE 81 3HG2 ILE 81 5.724 4.419 3.647 1340 1HD1 ILE 81 1HD1 ILE 81 4.735 3.185 0.470 1341 2HD1 ILE 81 2HD1 ILE 81 5.056 3.658 -1.199 1342 3HD1 ILE 81 3HD1 ILE 81 4.113 4.715 -0.148 Start of MODEL 15 1 1H MET 1 1H MET 1 15.295 1.858 -14.325 2 2H MET 1 2H MET 1 14.655 3.134 -15.245 3 3H MET 1 3H MET 1 15.414 1.826 -16.016 4 HA MET 1 HA MET 1 13.447 0.822 -16.207 5 1HB MET 1 1HB MET 1 13.744 1.013 -13.196 6 2HB MET 1 2HB MET 1 12.496 0.038 -13.972 7 1HG MET 1 1HG MET 1 13.965 -1.604 -14.422 8 2HG MET 1 2HG MET 1 15.076 -0.467 -15.186 9 1HE MET 1 1HE MET 1 13.649 -0.096 -11.636 10 2HE MET 1 2HE MET 1 13.727 -1.848 -11.803 11 3HE MET 1 3HE MET 1 14.761 -1.022 -10.630 12 H THR 2 H THR 2 11.088 1.039 -14.535 13 HA THR 2 HA THR 2 10.180 3.741 -15.397 14 HB THR 2 HB THR 2 7.926 2.619 -14.885 15 HG1 THR 2 HG1 THR 2 8.081 0.340 -14.730 16 1HG2 THR 2 1HG2 THR 2 7.870 1.936 -17.051 17 2HG2 THR 2 2HG2 THR 2 9.247 0.852 -16.842 18 3HG2 THR 2 3HG2 THR 2 9.512 2.575 -17.113 19 HA PRO 3 HA PRO 3 10.271 4.750 -11.057 20 1HB PRO 3 1HB PRO 3 9.748 7.420 -11.334 21 2HB PRO 3 2HB PRO 3 11.354 6.720 -11.609 22 1HG PRO 3 1HG PRO 3 9.317 7.604 -13.560 23 2HG PRO 3 2HG PRO 3 11.081 7.651 -13.665 24 1HD PRO 3 1HD PRO 3 9.465 5.790 -14.912 25 2HD PRO 3 2HD PRO 3 11.193 5.580 -14.578 26 H ILE 4 H ILE 4 8.599 5.663 -9.520 27 HA ILE 4 HA ILE 4 5.854 5.852 -10.685 28 HB ILE 4 HB ILE 4 5.181 4.233 -8.805 29 1HG1 ILE 4 1HG1 ILE 4 8.035 3.311 -8.897 30 2HG1 ILE 4 2HG1 ILE 4 7.597 4.615 -7.794 31 1HG2 ILE 4 1HG2 ILE 4 5.056 2.865 -10.588 32 2HG2 ILE 4 2HG2 ILE 4 6.741 2.419 -10.319 33 3HG2 ILE 4 3HG2 ILE 4 6.343 3.752 -11.401 34 1HD1 ILE 4 1HD1 ILE 4 7.381 2.506 -6.609 35 2HD1 ILE 4 2HD1 ILE 4 6.374 1.842 -7.897 36 3HD1 ILE 4 3HD1 ILE 4 5.766 3.156 -6.889 37 H VAL 5 H VAL 5 4.886 7.623 -9.807 38 HA VAL 5 HA VAL 5 5.934 8.781 -7.278 39 HB VAL 5 HB VAL 5 5.603 10.106 -9.388 40 1HG1 VAL 5 1HG1 VAL 5 2.648 9.974 -8.852 41 2HG1 VAL 5 2HG1 VAL 5 3.409 8.736 -9.850 42 3HG1 VAL 5 3HG1 VAL 5 3.489 10.430 -10.333 43 1HG2 VAL 5 1HG2 VAL 5 5.007 10.795 -6.757 44 2HG2 VAL 5 2HG2 VAL 5 3.610 11.378 -7.661 45 3HG2 VAL 5 3HG2 VAL 5 5.232 11.926 -8.091 46 H HIS 6 H HIS 6 4.858 8.381 -5.376 47 HA HIS 6 HA HIS 6 2.046 7.361 -5.517 48 1HB HIS 6 1HB HIS 6 4.397 6.513 -4.224 49 2HB HIS 6 2HB HIS 6 3.382 7.180 -2.945 50 HD1 HIS 6 HD1 HIS 6 2.392 5.105 -1.909 51 HD2 HIS 6 HD2 HIS 6 2.067 5.090 -6.065 52 HE1 HIS 6 HE1 HIS 6 0.969 3.098 -2.508 53 H LEU 7 H LEU 7 0.446 8.728 -4.786 54 HA LEU 7 HA LEU 7 1.234 10.929 -2.904 55 1HB LEU 7 1HB LEU 7 -0.328 12.361 -4.191 56 2HB LEU 7 2HB LEU 7 0.948 11.720 -5.225 57 HG LEU 7 HG LEU 7 -1.231 9.846 -5.150 58 1HD1 LEU 7 1HD1 LEU 7 -2.528 11.844 -6.604 59 2HD1 LEU 7 2HD1 LEU 7 -2.002 12.658 -5.130 60 3HD1 LEU 7 3HD1 LEU 7 -3.019 11.220 -5.029 61 1HD2 LEU 7 1HD2 LEU 7 -0.244 11.652 -7.379 62 2HD2 LEU 7 2HD2 LEU 7 -1.116 10.131 -7.568 63 3HD2 LEU 7 3HD2 LEU 7 0.523 10.133 -6.918 64 H LYS 8 H LYS 8 -0.451 11.569 -1.414 65 HA LYS 8 HA LYS 8 -2.891 9.848 -1.350 66 1HB LYS 8 1HB LYS 8 -1.248 8.732 0.041 67 2HB LYS 8 2HB LYS 8 -0.831 10.249 0.842 68 1HG LYS 8 1HG LYS 8 -3.047 10.397 1.828 69 2HG LYS 8 2HG LYS 8 -3.580 8.975 0.932 70 1HD LYS 8 1HD LYS 8 -2.898 7.714 2.666 71 2HD LYS 8 2HD LYS 8 -1.240 8.176 2.274 72 1HE LYS 8 1HE LYS 8 -2.810 10.191 3.799 73 2HE LYS 8 2HE LYS 8 -2.356 8.717 4.680 74 1HZ LYS 8 1HZ LYS 8 -0.482 10.325 3.029 75 2HZ LYS 8 2HZ LYS 8 -0.091 8.994 4.010 76 3HZ LYS 8 3HZ LYS 8 -0.606 10.452 4.716 77 H GLY 9 H GLY 9 -4.447 10.733 0.379 78 1HA GLY 9 1HA GLY 9 -4.433 13.063 1.756 79 2HA GLY 9 2HA GLY 9 -4.558 13.663 0.102 80 H ASP 10 H ASP 10 -6.671 14.430 1.304 81 HA ASP 10 HA ASP 10 -8.795 12.569 1.800 82 1HB ASP 10 1HB ASP 10 -8.442 15.497 1.324 83 2HB ASP 10 2HB ASP 10 -10.080 14.849 1.223 84 H ALA 11 H ALA 11 -10.482 11.868 0.438 85 HA ALA 11 HA ALA 11 -10.000 11.260 -2.250 86 1HB ALA 11 1HB ALA 11 -11.861 10.137 -1.612 87 2HB ALA 11 2HB ALA 11 -12.227 11.327 -0.363 88 3HB ALA 11 3HB ALA 11 -12.763 11.597 -2.020 89 H ASN 12 H ASN 12 -11.869 14.048 -0.987 90 HA ASN 12 HA ASN 12 -12.602 15.240 -3.428 91 1HB ASN 12 1HB ASN 12 -11.707 16.609 -0.872 92 2HB ASN 12 2HB ASN 12 -12.825 17.257 -2.072 93 1HD2 ASN 12 1HD2 ASN 12 -14.942 17.087 -1.343 94 2HD2 ASN 12 2HD2 ASN 12 -15.566 15.789 -0.443 95 H THR 13 H THR 13 -9.624 15.842 -1.523 96 HA THR 13 HA THR 13 -8.435 17.750 -3.247 97 HB THR 13 HB THR 13 -6.745 15.713 -1.869 98 HG1 THR 13 HG1 THR 13 -8.681 17.358 -0.627 99 1HG2 THR 13 1HG2 THR 13 -6.158 18.088 -2.869 100 2HG2 THR 13 2HG2 THR 13 -5.424 17.551 -1.358 101 3HG2 THR 13 3HG2 THR 13 -6.798 18.658 -1.328 102 H LEU 14 H LEU 14 -8.819 14.308 -3.675 103 HA LEU 14 HA LEU 14 -6.624 13.951 -5.554 104 1HB LEU 14 1HB LEU 14 -9.126 12.389 -4.859 105 2HB LEU 14 2HB LEU 14 -7.898 11.794 -5.975 106 HG LEU 14 HG LEU 14 -7.177 12.723 -3.194 107 1HD1 LEU 14 1HD1 LEU 14 -7.322 9.823 -3.607 108 2HD1 LEU 14 2HD1 LEU 14 -8.899 10.609 -3.686 109 3HD1 LEU 14 3HD1 LEU 14 -7.894 10.794 -2.249 110 1HD2 LEU 14 1HD2 LEU 14 -5.877 10.717 -5.062 111 2HD2 LEU 14 2HD2 LEU 14 -5.194 11.387 -3.580 112 3HD2 LEU 14 3HD2 LEU 14 -5.426 12.419 -4.990 113 H LYS 15 H LYS 15 -10.127 14.565 -5.871 114 HA LYS 15 HA LYS 15 -10.344 14.255 -8.692 115 1HB LYS 15 1HB LYS 15 -12.096 14.581 -6.801 116 2HB LYS 15 2HB LYS 15 -11.831 16.307 -7.053 117 1HG LYS 15 1HG LYS 15 -12.149 15.546 -9.618 118 2HG LYS 15 2HG LYS 15 -13.135 14.311 -8.834 119 1HD LYS 15 1HD LYS 15 -13.418 17.280 -8.297 120 2HD LYS 15 2HD LYS 15 -14.411 16.392 -9.454 121 1HE LYS 15 1HE LYS 15 -15.686 15.474 -7.807 122 2HE LYS 15 2HE LYS 15 -14.268 15.104 -6.805 123 1HZ LYS 15 1HZ LYS 15 -15.808 16.916 -5.954 124 2HZ LYS 15 2HZ LYS 15 -15.219 17.878 -7.225 125 3HZ LYS 15 3HZ LYS 15 -14.157 17.300 -6.031 126 H CYS 16 H CYS 16 -9.039 16.868 -6.748 127 HA CYS 16 HA CYS 16 -9.163 18.943 -8.748 128 1HB CYS 16 1HB CYS 16 -8.922 19.425 -6.390 129 2HB CYS 16 2HB CYS 16 -7.449 18.459 -6.296 130 HG CYS 16 HG CYS 16 -6.931 20.549 -8.330 131 H LEU 17 H LEU 17 -6.397 16.931 -7.641 132 HA LEU 17 HA LEU 17 -4.517 17.858 -9.556 133 1HB LEU 17 1HB LEU 17 -4.805 15.110 -8.295 134 2HB LEU 17 2HB LEU 17 -3.318 15.802 -8.944 135 HG LEU 17 HG LEU 17 -4.906 16.813 -6.568 136 1HD1 LEU 17 1HD1 LEU 17 -2.868 14.894 -6.796 137 2HD1 LEU 17 2HD1 LEU 17 -3.418 15.675 -5.313 138 3HD1 LEU 17 3HD1 LEU 17 -2.062 16.350 -6.216 139 1HD2 LEU 17 1HD2 LEU 17 -2.422 17.964 -7.880 140 2HD2 LEU 17 2HD2 LEU 17 -3.175 18.561 -6.401 141 3HD2 LEU 17 3HD2 LEU 17 -4.032 18.682 -7.938 142 H ARG 18 H ARG 18 -6.521 14.891 -9.679 143 HA ARG 18 HA ARG 18 -5.802 13.855 -12.149 144 1HB ARG 18 1HB ARG 18 -7.348 12.704 -10.765 145 2HB ARG 18 2HB ARG 18 -8.449 14.082 -10.712 146 1HG ARG 18 1HG ARG 18 -9.499 13.399 -12.585 147 2HG ARG 18 2HG ARG 18 -7.969 13.267 -13.451 148 1HD ARG 18 1HD ARG 18 -8.628 11.030 -13.463 149 2HD ARG 18 2HD ARG 18 -7.735 11.066 -11.929 150 HE ARG 18 HE ARG 18 -10.631 11.739 -11.872 151 1HH1 ARG 18 1HH2 ARG 18 -8.488 9.109 -11.809 152 2HH1 ARG 18 2HH2 ARG 18 -9.152 8.396 -10.376 153 1HH2 ARG 18 1HH1 ARG 18 -11.294 11.046 -9.729 154 2HH2 ARG 18 2HH1 ARG 18 -10.741 9.493 -9.199 155 H TYR 19 H TYR 19 -7.649 16.795 -11.572 156 HA TYR 19 HA TYR 19 -8.872 17.045 -14.152 157 1HB TYR 19 1HB TYR 19 -9.641 18.398 -12.356 158 2HB TYR 19 2HB TYR 19 -8.013 18.954 -11.974 159 HD1 TYR 19 HD1 TYR 19 -10.600 19.037 -14.673 160 HD2 TYR 19 HD2 TYR 19 -7.179 20.945 -12.905 161 HE1 TYR 19 HE1 TYR 19 -10.901 20.981 -16.187 162 HE2 TYR 19 HE2 TYR 19 -7.480 22.888 -14.419 163 HH TYR 19 HH TYR 19 -8.743 23.063 -16.955 164 H ARG 20 H ARG 20 -5.702 18.118 -12.916 165 HA ARG 20 HA ARG 20 -4.944 19.510 -15.347 166 1HB ARG 20 1HB ARG 20 -3.340 18.364 -13.036 167 2HB ARG 20 2HB ARG 20 -2.737 19.536 -14.211 168 1HG ARG 20 1HG ARG 20 -3.929 21.267 -13.303 169 2HG ARG 20 2HG ARG 20 -5.287 20.233 -12.857 170 1HD ARG 20 1HD ARG 20 -4.463 19.900 -10.763 171 2HD ARG 20 2HD ARG 20 -2.827 19.592 -11.378 172 HE ARG 20 HE ARG 20 -2.356 21.924 -11.204 173 1HH1 ARG 20 1HH1 ARG 20 -5.129 22.639 -12.404 174 2HH1 ARG 20 2HH1 ARG 20 -5.786 23.585 -11.109 175 1HH2 ARG 20 1HH2 ARG 20 -3.437 22.525 -8.788 176 2HH2 ARG 20 2HH2 ARG 20 -4.827 23.520 -9.063 177 H PHE 21 H PHE 21 -4.805 16.176 -14.288 178 HA PHE 21 HA PHE 21 -2.698 15.256 -16.012 179 1HB PHE 21 1HB PHE 21 -5.142 13.898 -14.829 180 2HB PHE 21 2HB PHE 21 -3.772 13.045 -15.539 181 HD1 PHE 21 HD1 PHE 21 -2.333 15.878 -14.199 182 HD2 PHE 21 HD2 PHE 21 -4.178 12.211 -12.921 183 HE1 PHE 21 HE1 PHE 21 -1.121 16.019 -12.041 184 HE2 PHE 21 HE2 PHE 21 -2.964 12.356 -10.762 185 HZ PHE 21 HZ PHE 21 -1.436 14.259 -10.323 186 H LYS 22 H LYS 22 -6.112 15.919 -16.553 187 HA LYS 22 HA LYS 22 -6.484 14.426 -18.968 188 1HB LYS 22 1HB LYS 22 -7.695 16.983 -17.876 189 2HB LYS 22 2HB LYS 22 -8.337 16.127 -19.277 190 1HG LYS 22 1HG LYS 22 -7.989 14.920 -16.515 191 2HG LYS 22 2HG LYS 22 -9.517 15.496 -17.181 192 1HD LYS 22 1HD LYS 22 -8.708 13.860 -19.193 193 2HD LYS 22 2HD LYS 22 -7.993 13.032 -17.809 194 1HE LYS 22 1HE LYS 22 -10.313 13.280 -16.688 195 2HE LYS 22 2HE LYS 22 -10.911 13.640 -18.320 196 1HZ LYS 22 1HZ LYS 22 -9.126 11.338 -17.856 197 2HZ LYS 22 2HZ LYS 22 -10.232 11.595 -19.121 198 3HZ LYS 22 3HZ LYS 22 -10.791 11.190 -17.570 199 H LYS 23 H LYS 23 -5.380 17.773 -18.397 200 HA LYS 23 HA LYS 23 -5.087 18.405 -21.221 201 1HB LYS 23 1HB LYS 23 -3.893 19.675 -18.734 202 2HB LYS 23 2HB LYS 23 -4.080 20.448 -20.310 203 1HG LYS 23 1HG LYS 23 -6.506 19.273 -19.005 204 2HG LYS 23 2HG LYS 23 -5.889 20.812 -18.400 205 1HD LYS 23 1HD LYS 23 -6.182 21.883 -20.491 206 2HD LYS 23 2HD LYS 23 -6.343 20.349 -21.346 207 1HE LYS 23 1HE LYS 23 -8.335 20.695 -19.206 208 2HE LYS 23 2HE LYS 23 -8.473 21.888 -20.512 209 1HZ LYS 23 1HZ LYS 23 -7.891 19.159 -21.326 210 2HZ LYS 23 2HZ LYS 23 -8.915 20.309 -22.043 211 3HZ LYS 23 3HZ LYS 23 -9.445 19.415 -20.699 212 H HIS 24 H HIS 24 -2.857 17.400 -18.623 213 HA HIS 24 HA HIS 24 -0.587 17.362 -20.537 214 1HB HIS 24 1HB HIS 24 -0.805 16.802 -17.561 215 2HB HIS 24 2HB HIS 24 0.703 16.961 -18.463 216 HD1 HIS 24 HD1 HIS 24 0.043 19.392 -20.218 217 HD2 HIS 24 HD2 HIS 24 -0.851 19.202 -16.150 218 HE1 HIS 24 HE1 HIS 24 -0.172 21.786 -19.418 219 H CYS 25 H CYS 25 -2.687 15.428 -21.000 220 HA CYS 25 HA CYS 25 -2.263 12.863 -19.872 221 1HB CYS 25 1HB CYS 25 -3.271 12.129 -22.080 222 2HB CYS 25 2HB CYS 25 -4.172 13.399 -21.254 223 HG CYS 25 HG CYS 25 -2.532 14.998 -22.934 224 H THR 26 H THR 26 -0.203 14.698 -21.933 225 HA THR 26 HA THR 26 1.229 12.295 -22.942 226 HB THR 26 HB THR 26 2.306 13.900 -24.398 227 HG1 THR 26 HG1 THR 26 2.604 15.488 -22.740 228 1HG2 THR 26 1HG2 THR 26 -0.553 13.737 -24.109 229 2HG2 THR 26 2HG2 THR 26 0.398 13.921 -25.583 230 3HG2 THR 26 3HG2 THR 26 -0.112 15.348 -24.679 231 H LEU 27 H LEU 27 1.255 14.009 -20.132 232 HA LEU 27 HA LEU 27 4.195 14.259 -19.856 233 1HB LEU 27 1HB LEU 27 1.738 15.238 -18.567 234 2HB LEU 27 2HB LEU 27 3.016 14.828 -17.422 235 HG LEU 27 HG LEU 27 4.589 16.186 -18.921 236 1HD1 LEU 27 1HD1 LEU 27 3.098 16.244 -20.893 237 2HD1 LEU 27 2HD1 LEU 27 3.494 17.874 -20.346 238 3HD1 LEU 27 3HD1 LEU 27 1.919 17.175 -19.970 239 1HD2 LEU 27 1HD2 LEU 27 3.258 16.882 -16.726 240 2HD2 LEU 27 2HD2 LEU 27 2.435 17.969 -17.846 241 3HD2 LEU 27 3HD2 LEU 27 4.183 18.076 -17.637 242 H TYR 28 H TYR 28 1.610 12.062 -18.992 243 HA TYR 28 HA TYR 28 3.581 10.401 -17.468 244 1HB TYR 28 1HB TYR 28 1.782 9.885 -15.909 245 2HB TYR 28 2HB TYR 28 1.902 11.638 -16.056 246 HD1 TYR 28 HD1 TYR 28 0.132 12.940 -17.015 247 HD2 TYR 28 HD2 TYR 28 -0.015 8.647 -17.133 248 HE1 TYR 28 HE1 TYR 28 -2.235 13.041 -17.751 249 HE2 TYR 28 HE2 TYR 28 -2.381 8.749 -17.869 250 HH TYR 28 HH TYR 28 -3.952 11.846 -18.585 251 H THR 29 H THR 29 2.350 8.069 -17.225 252 HA THR 29 HA THR 29 1.817 7.246 -20.032 253 HB THR 29 HB THR 29 2.369 5.734 -17.460 254 HG1 THR 29 HG1 THR 29 4.012 7.078 -18.658 255 1HG2 THR 29 1HG2 THR 29 2.782 3.819 -19.078 256 2HG2 THR 29 2HG2 THR 29 1.985 4.797 -20.309 257 3HG2 THR 29 3HG2 THR 29 1.092 4.284 -18.877 258 H ALA 30 H ALA 30 0.420 6.259 -16.847 259 HA ALA 30 HA ALA 30 -2.292 6.737 -17.854 260 1HB ALA 30 1HB ALA 30 -1.496 4.526 -18.778 261 2HB ALA 30 2HB ALA 30 -1.305 3.961 -17.118 262 3HB ALA 30 3HB ALA 30 -2.905 4.383 -17.728 263 H VAL 31 H VAL 31 -3.729 6.860 -16.142 264 HA VAL 31 HA VAL 31 -2.553 7.013 -13.429 265 HB VAL 31 HB VAL 31 -3.890 8.872 -14.299 266 1HG1 VAL 31 1HG1 VAL 31 -5.499 6.720 -15.308 267 2HG1 VAL 31 2HG1 VAL 31 -5.635 8.444 -15.653 268 3HG1 VAL 31 3HG1 VAL 31 -6.507 7.747 -14.288 269 1HG2 VAL 31 1HG2 VAL 31 -4.614 7.318 -11.930 270 2HG2 VAL 31 2HG2 VAL 31 -5.958 8.296 -12.520 271 3HG2 VAL 31 3HG2 VAL 31 -4.423 9.062 -12.107 272 H SER 32 H SER 32 -2.467 4.908 -12.571 273 HA SER 32 HA SER 32 -4.233 2.768 -13.039 274 1HB SER 32 1HB SER 32 -3.491 2.219 -10.575 275 2HB SER 32 2HB SER 32 -2.269 2.307 -11.840 276 HG SER 32 HG SER 32 -3.040 4.464 -10.159 277 H SER 33 H SER 33 -6.102 2.013 -11.811 278 HA SER 33 HA SER 33 -8.052 3.997 -11.192 279 1HB SER 33 1HB SER 33 -9.045 1.865 -9.974 280 2HB SER 33 2HB SER 33 -8.880 1.885 -11.727 281 HG SER 33 HG SER 33 -7.994 0.012 -10.505 282 H THR 34 H THR 34 -8.979 4.499 -9.054 283 HA THR 34 HA THR 34 -7.001 5.146 -7.065 284 HB THR 34 HB THR 34 -10.021 5.103 -7.194 285 HG1 THR 34 HG1 THR 34 -8.493 6.684 -8.256 286 1HG2 THR 34 1HG2 THR 34 -8.232 5.487 -4.856 287 2HG2 THR 34 2HG2 THR 34 -9.906 4.938 -4.915 288 3HG2 THR 34 3HG2 THR 34 -9.539 6.658 -5.043 289 H TRP 35 H TRP 35 -6.172 3.810 -5.507 290 HA TRP 35 HA TRP 35 -7.859 1.609 -4.426 291 1HB TRP 35 1HB TRP 35 -6.229 -0.048 -4.983 292 2HB TRP 35 2HB TRP 35 -6.417 0.922 -6.445 293 HD1 TRP 35 HD1 TRP 35 -4.387 2.360 -7.240 294 HE1 TRP 35 HE1 TRP 35 -1.932 2.537 -6.473 295 HE3 TRP 35 HE3 TRP 35 -4.661 -0.175 -2.817 296 HZ2 TRP 35 HZ2 TRP 35 -0.300 1.712 -4.271 297 HZ3 TRP 35 HZ3 TRP 35 -2.645 -0.465 -1.404 298 HH2 TRP 35 HH2 TRP 35 -0.466 0.474 -2.126 299 H HIS 36 H HIS 36 -6.571 0.550 -2.515 300 HA HIS 36 HA HIS 36 -4.528 2.241 -1.256 301 1HB HIS 36 1HB HIS 36 -6.836 3.340 -0.988 302 2HB HIS 36 2HB HIS 36 -7.234 1.990 0.074 303 HD1 HIS 36 HD1 HIS 36 -3.783 3.485 -0.022 304 HD2 HIS 36 HD2 HIS 36 -7.144 3.545 2.443 305 HE1 HIS 36 HE1 HIS 36 -3.068 4.600 2.138 306 H TRP 37 H TRP 37 -4.392 1.421 1.200 307 HA TRP 37 HA TRP 37 -3.910 -1.466 1.064 308 1HB TRP 37 1HB TRP 37 -3.663 0.628 3.245 309 2HB TRP 37 2HB TRP 37 -3.089 -1.032 3.403 310 HD1 TRP 37 HD1 TRP 37 -1.758 2.188 2.658 311 HE1 TRP 37 HE1 TRP 37 0.350 2.067 1.175 312 HE3 TRP 37 HE3 TRP 37 -2.150 -2.613 0.962 313 HZ2 TRP 37 HZ2 TRP 37 1.691 0.179 -0.509 314 HZ3 TRP 37 HZ3 TRP 37 -0.447 -3.548 -0.578 315 HH2 TRP 37 HH2 TRP 37 1.472 -2.158 -1.315 316 H THR 38 H THR 38 -6.034 -2.406 0.893 317 HA THR 38 HA THR 38 -7.681 -2.165 3.391 318 HB THR 38 HB THR 38 -9.646 -2.346 1.918 319 HG1 THR 38 HG1 THR 38 -7.932 -3.376 0.261 320 1HG2 THR 38 1HG2 THR 38 -8.779 -0.258 0.350 321 2HG2 THR 38 2HG2 THR 38 -7.638 -0.214 1.695 322 3HG2 THR 38 3HG2 THR 38 -9.371 -0.101 2.004 323 H GLY 39 H GLY 39 -9.500 -4.203 2.048 324 1HA GLY 39 1HA GLY 39 -7.945 -6.617 1.671 325 2HA GLY 39 2HA GLY 39 -8.648 -6.552 3.289 326 H HIS 40 H HIS 40 -11.097 -5.492 2.944 327 HA HIS 40 HA HIS 40 -12.485 -6.715 0.655 328 1HB HIS 40 1HB HIS 40 -11.995 -8.571 2.277 329 2HB HIS 40 2HB HIS 40 -12.943 -7.706 3.488 330 HD1 HIS 40 HD1 HIS 40 -14.390 -10.072 3.220 331 HD2 HIS 40 HD2 HIS 40 -14.648 -7.300 0.118 332 HE1 HIS 40 HE1 HIS 40 -16.467 -10.667 1.899 333 H ASN 41 H ASN 41 -13.259 -5.778 4.031 334 HA ASN 41 HA ASN 41 -15.664 -4.348 3.193 335 1HB ASN 41 1HB ASN 41 -14.189 -5.037 5.690 336 2HB ASN 41 2HB ASN 41 -15.269 -3.645 5.769 337 1HD2 ASN 41 1HD2 ASN 41 -17.379 -4.190 6.328 338 2HD2 ASN 41 2HD2 ASN 41 -18.119 -5.684 6.011 339 H VAL 42 H VAL 42 -15.333 -2.441 2.074 340 HA VAL 42 HA VAL 42 -13.453 -0.450 3.298 341 HB VAL 42 HB VAL 42 -13.561 0.042 0.528 342 1HG1 VAL 42 1HG1 VAL 42 -11.343 -1.596 1.679 343 2HG1 VAL 42 2HG1 VAL 42 -11.671 -0.024 2.408 344 3HG1 VAL 42 3HG1 VAL 42 -11.266 -0.134 0.696 345 1HG2 VAL 42 1HG2 VAL 42 -14.532 -2.292 0.340 346 2HG2 VAL 42 2HG2 VAL 42 -13.024 -2.904 1.019 347 3HG2 VAL 42 3HG2 VAL 42 -13.016 -2.062 -0.531 348 H LYS 43 H LYS 43 -14.356 1.573 3.548 349 HA LYS 43 HA LYS 43 -16.734 2.337 1.945 350 1HB LYS 43 1HB LYS 43 -17.753 1.177 3.762 351 2HB LYS 43 2HB LYS 43 -16.638 1.880 4.933 352 1HG LYS 43 1HG LYS 43 -17.932 4.027 3.568 353 2HG LYS 43 2HG LYS 43 -19.176 2.889 4.088 354 1HD LYS 43 1HD LYS 43 -17.824 2.894 6.348 355 2HD LYS 43 2HD LYS 43 -17.218 4.439 5.752 356 1HE LYS 43 1HE LYS 43 -19.574 5.213 5.440 357 2HE LYS 43 2HE LYS 43 -20.136 3.689 6.155 358 1HZ LYS 43 1HZ LYS 43 -19.878 4.745 8.100 359 2HZ LYS 43 2HZ LYS 43 -18.907 5.968 7.431 360 3HZ LYS 43 3HZ LYS 43 -18.217 4.481 7.878 361 H HIS 44 H HIS 44 -14.402 3.211 4.498 362 HA HIS 44 HA HIS 44 -14.225 5.934 3.312 363 1HB HIS 44 1HB HIS 44 -14.464 6.869 5.658 364 2HB HIS 44 2HB HIS 44 -15.936 6.161 4.998 365 HD1 HIS 44 HD1 HIS 44 -16.474 5.952 7.686 366 HD2 HIS 44 HD2 HIS 44 -13.570 3.387 6.151 367 HE1 HIS 44 HE1 HIS 44 -16.211 4.080 9.369 368 H LYS 45 H LYS 45 -12.054 5.455 2.718 369 HA LYS 45 HA LYS 45 -10.146 5.308 5.016 370 1HB LYS 45 1HB LYS 45 -10.795 3.147 3.516 371 2HB LYS 45 2HB LYS 45 -9.497 3.814 2.526 372 1HG LYS 45 1HG LYS 45 -8.411 2.346 4.047 373 2HG LYS 45 2HG LYS 45 -8.135 3.961 4.701 374 1HD LYS 45 1HD LYS 45 -10.053 3.664 6.234 375 2HD LYS 45 2HD LYS 45 -10.312 2.043 5.590 376 1HE LYS 45 1HE LYS 45 -8.017 1.401 6.328 377 2HE LYS 45 2HE LYS 45 -7.826 3.013 7.047 378 1HZ LYS 45 1HZ LYS 45 -9.010 0.855 8.246 379 2HZ LYS 45 2HZ LYS 45 -10.323 1.807 7.739 380 3HZ LYS 45 3HZ LYS 45 -9.131 2.469 8.751 381 H SER 46 H SER 46 -7.806 5.686 4.013 382 HA SER 46 HA SER 46 -7.931 8.238 2.562 383 1HB SER 46 1HB SER 46 -6.293 7.024 4.459 384 2HB SER 46 2HB SER 46 -5.306 7.015 3.001 385 HG SER 46 HG SER 46 -6.614 9.239 4.193 386 H ALA 47 H ALA 47 -8.876 7.047 0.583 387 HA ALA 47 HA ALA 47 -7.654 5.157 -1.023 388 1HB ALA 47 1HB ALA 47 -9.801 6.354 -1.431 389 2HB ALA 47 2HB ALA 47 -8.889 7.788 -1.901 390 3HB ALA 47 3HB ALA 47 -8.783 6.320 -2.871 391 H ILE 48 H ILE 48 -6.120 5.294 -2.787 392 HA ILE 48 HA ILE 48 -4.438 7.741 -2.924 393 HB ILE 48 HB ILE 48 -3.514 4.949 -2.191 394 1HG1 ILE 48 1HG1 ILE 48 -3.349 7.629 -0.778 395 2HG1 ILE 48 2HG1 ILE 48 -4.426 6.301 -0.342 396 1HG2 ILE 48 1HG2 ILE 48 -1.483 7.020 -2.115 397 2HG2 ILE 48 2HG2 ILE 48 -2.146 6.856 -3.741 398 3HG2 ILE 48 3HG2 ILE 48 -1.444 5.456 -2.929 399 1HD1 ILE 48 1HD1 ILE 48 -2.363 4.859 -0.045 400 2HD1 ILE 48 2HD1 ILE 48 -2.513 6.175 1.121 401 3HD1 ILE 48 3HD1 ILE 48 -1.397 6.322 -0.237 402 H VAL 49 H VAL 49 -3.284 7.898 -4.924 403 HA VAL 49 HA VAL 49 -3.992 5.807 -6.957 404 HB VAL 49 HB VAL 49 -3.510 8.709 -7.605 405 1HG1 VAL 49 1HG1 VAL 49 -3.725 7.169 -9.468 406 2HG1 VAL 49 2HG1 VAL 49 -5.197 8.137 -9.381 407 3HG1 VAL 49 3HG1 VAL 49 -5.194 6.478 -8.780 408 1HG2 VAL 49 1HG2 VAL 49 -6.245 8.529 -7.442 409 2HG2 VAL 49 2HG2 VAL 49 -5.222 9.252 -6.200 410 3HG2 VAL 49 3HG2 VAL 49 -5.748 7.577 -6.043 411 H THR 50 H THR 50 -2.394 5.924 -8.874 412 HA THR 50 HA THR 50 0.327 6.837 -8.073 413 HB THR 50 HB THR 50 -0.490 4.008 -8.811 414 HG1 THR 50 HG1 THR 50 0.378 3.619 -6.706 415 1HG2 THR 50 1HG2 THR 50 1.801 3.413 -8.793 416 2HG2 THR 50 2HG2 THR 50 2.278 4.947 -8.065 417 3HG2 THR 50 3HG2 THR 50 1.739 4.897 -9.743 418 H LEU 51 H LEU 51 1.787 6.963 -9.935 419 HA LEU 51 HA LEU 51 0.447 6.675 -12.595 420 1HB LEU 51 1HB LEU 51 1.867 9.052 -11.375 421 2HB LEU 51 2HB LEU 51 1.596 8.912 -13.112 422 HG LEU 51 HG LEU 51 -0.887 8.303 -12.065 423 1HD1 LEU 51 1HD1 LEU 51 0.482 9.459 -9.950 424 2HD1 LEU 51 2HD1 LEU 51 -1.273 9.393 -10.119 425 3HD1 LEU 51 3HD1 LEU 51 -0.388 10.823 -10.653 426 1HD2 LEU 51 1HD2 LEU 51 0.428 10.575 -13.416 427 2HD2 LEU 51 2HD2 LEU 51 -1.068 10.992 -12.578 428 3HD2 LEU 51 3HD2 LEU 51 -1.072 9.741 -13.822 429 H THR 52 H THR 52 1.776 5.707 -14.081 430 HA THR 52 HA THR 52 4.578 5.112 -13.280 431 HB THR 52 HB THR 52 2.659 4.070 -15.379 432 HG1 THR 52 HG1 THR 52 3.676 2.229 -13.781 433 1HG2 THR 52 1HG2 THR 52 4.507 2.331 -15.732 434 2HG2 THR 52 2HG2 THR 52 5.584 3.471 -14.924 435 3HG2 THR 52 3HG2 THR 52 4.788 3.926 -16.431 436 H TYR 53 H TYR 53 6.276 6.149 -14.262 437 HA TYR 53 HA TYR 53 5.675 7.854 -16.650 438 1HB TYR 53 1HB TYR 53 7.812 7.987 -14.500 439 2HB TYR 53 2HB TYR 53 7.676 9.122 -15.841 440 HD1 TYR 53 HD1 TYR 53 5.561 7.618 -13.128 441 HD2 TYR 53 HD2 TYR 53 6.445 11.078 -15.517 442 HE1 TYR 53 HE1 TYR 53 3.894 8.932 -11.843 443 HE2 TYR 53 HE2 TYR 53 4.779 12.392 -14.233 444 HH TYR 53 HH TYR 53 3.781 12.076 -11.659 445 H ASP 54 H ASP 54 7.096 7.720 -18.451 446 HA ASP 54 HA ASP 54 8.441 5.156 -18.818 447 1HB ASP 54 1HB ASP 54 8.389 7.649 -20.548 448 2HB ASP 54 2HB ASP 54 8.739 6.005 -21.084 449 H SER 55 H SER 55 9.424 8.015 -17.339 450 HA SER 55 HA SER 55 12.211 7.185 -17.271 451 1HB SER 55 1HB SER 55 11.530 8.401 -19.574 452 2HB SER 55 2HB SER 55 11.855 9.831 -18.601 453 HG SER 55 HG SER 55 13.728 9.022 -19.674 454 H GLU 56 H GLU 56 13.205 8.158 -15.500 455 HA GLU 56 HA GLU 56 11.706 9.564 -13.552 456 1HB GLU 56 1HB GLU 56 14.694 9.544 -14.110 457 2HB GLU 56 2HB GLU 56 13.949 9.980 -12.571 458 1HG GLU 56 1HG GLU 56 13.307 7.794 -12.106 459 2HG GLU 56 2HG GLU 56 13.268 7.333 -13.808 460 H TRP 57 H TRP 57 13.609 10.736 -16.287 461 HA TRP 57 HA TRP 57 13.896 13.466 -15.627 462 1HB TRP 57 1HB TRP 57 14.978 12.565 -17.545 463 2HB TRP 57 2HB TRP 57 13.465 11.939 -18.200 464 HD1 TRP 57 HD1 TRP 57 12.914 13.288 -20.281 465 HE1 TRP 57 HE1 TRP 57 12.863 15.790 -20.901 466 HE3 TRP 57 HE3 TRP 57 14.790 15.299 -15.977 467 HZ2 TRP 57 HZ2 TRP 57 13.529 18.313 -19.724 468 HZ3 TRP 57 HZ3 TRP 57 15.072 17.752 -15.753 469 HH2 TRP 57 HH2 TRP 57 14.443 19.259 -17.619 470 H GLN 58 H GLN 58 11.286 12.081 -17.666 471 HA GLN 58 HA GLN 58 9.685 14.397 -17.826 472 1HB GLN 58 1HB GLN 58 9.589 12.132 -19.043 473 2HB GLN 58 2HB GLN 58 8.643 11.566 -17.666 474 1HG GLN 58 1HG GLN 58 6.956 13.260 -18.046 475 2HG GLN 58 2HG GLN 58 7.937 14.016 -19.303 476 1HE2 GLN 58 1HE2 GLN 58 6.540 10.767 -18.548 477 2HE2 GLN 58 2HE2 GLN 58 6.139 10.409 -20.158 478 H ARG 59 H ARG 59 9.720 11.873 -15.305 479 HA ARG 59 HA ARG 59 7.360 12.637 -13.912 480 1HB ARG 59 1HB ARG 59 8.680 10.579 -13.542 481 2HB ARG 59 2HB ARG 59 10.002 11.547 -12.887 482 1HG ARG 59 1HG ARG 59 8.294 12.445 -11.192 483 2HG ARG 59 2HG ARG 59 7.248 11.125 -11.719 484 1HD ARG 59 1HD ARG 59 8.608 10.490 -9.720 485 2HD ARG 59 2HD ARG 59 9.013 9.489 -11.128 486 HE ARG 59 HE ARG 59 11.152 10.477 -11.097 487 1HH1 ARG 59 1HH2 ARG 59 9.108 12.093 -8.907 488 2HH1 ARG 59 2HH2 ARG 59 10.116 13.494 -8.762 489 1HH2 ARG 59 1HH1 ARG 59 12.340 12.476 -11.221 490 2HH2 ARG 59 2HH1 ARG 59 11.944 13.712 -10.075 491 H ASP 60 H ASP 60 10.701 13.840 -13.611 492 HA ASP 60 HA ASP 60 10.313 15.545 -11.362 493 1HB ASP 60 1HB ASP 60 12.362 14.751 -12.987 494 2HB ASP 60 2HB ASP 60 12.156 16.425 -13.503 495 H GLN 61 H GLN 61 9.918 16.177 -14.856 496 HA GLN 61 HA GLN 61 9.380 18.986 -14.628 497 1HB GLN 61 1HB GLN 61 8.651 16.847 -16.647 498 2HB GLN 61 2HB GLN 61 8.366 18.567 -16.920 499 1HG GLN 61 1HG GLN 61 10.823 18.952 -16.460 500 2HG GLN 61 2HG GLN 61 11.031 17.201 -16.468 501 1HE2 GLN 61 1HE2 GLN 61 10.886 16.087 -18.513 502 2HE2 GLN 61 2HE2 GLN 61 10.805 16.917 -19.991 503 H PHE 62 H PHE 62 7.224 16.142 -14.618 504 HA PHE 62 HA PHE 62 4.725 17.450 -14.698 505 1HB PHE 62 1HB PHE 62 4.805 15.086 -14.872 506 2HB PHE 62 2HB PHE 62 5.786 14.930 -13.413 507 HD1 PHE 62 HD1 PHE 62 2.403 15.362 -14.752 508 HD2 PHE 62 HD2 PHE 62 4.778 15.215 -11.175 509 HE1 PHE 62 HE1 PHE 62 0.344 15.085 -13.397 510 HE2 PHE 62 HE2 PHE 62 2.718 14.939 -9.819 511 HZ PHE 62 HZ PHE 62 0.501 14.872 -10.930 512 H LEU 63 H LEU 63 6.775 16.658 -11.879 513 HA LEU 63 HA LEU 63 5.066 17.678 -9.846 514 1HB LEU 63 1HB LEU 63 8.052 17.359 -10.180 515 2HB LEU 63 2HB LEU 63 7.352 17.947 -8.671 516 HG LEU 63 HG LEU 63 6.160 15.486 -9.857 517 1HD1 LEU 63 1HD1 LEU 63 8.462 14.976 -8.089 518 2HD1 LEU 63 2HD1 LEU 63 8.900 15.599 -9.680 519 3HD1 LEU 63 3HD1 LEU 63 7.949 14.120 -9.543 520 1HD2 LEU 63 1HD2 LEU 63 6.975 16.039 -7.003 521 2HD2 LEU 63 2HD2 LEU 63 5.691 14.984 -7.593 522 3HD2 LEU 63 3HD2 LEU 63 5.503 16.735 -7.681 523 H SER 64 H SER 64 6.867 19.350 -12.282 524 HA SER 64 HA SER 64 6.946 21.893 -10.759 525 1HB SER 64 1HB SER 64 8.709 22.229 -12.136 526 2HB SER 64 2HB SER 64 8.426 20.629 -12.814 527 HG SER 64 HG SER 64 7.614 21.531 -14.532 528 H GLN 65 H GLN 65 5.008 20.280 -13.176 529 HA GLN 65 HA GLN 65 3.636 22.803 -13.946 530 1HB GLN 65 1HB GLN 65 3.026 19.983 -14.853 531 2HB GLN 65 2HB GLN 65 2.757 21.492 -15.726 532 1HG GLN 65 1HG GLN 65 5.460 21.597 -15.287 533 2HG GLN 65 2HG GLN 65 5.206 19.865 -15.503 534 1HE2 GLN 65 1HE2 GLN 65 6.411 20.166 -17.612 535 2HE2 GLN 65 2HE2 GLN 65 5.559 20.741 -18.963 536 H VAL 66 H VAL 66 3.170 19.923 -11.998 537 HA VAL 66 HA VAL 66 0.328 20.709 -11.480 538 HB VAL 66 HB VAL 66 1.902 18.163 -10.966 539 1HG1 VAL 66 1HG1 VAL 66 -0.849 17.645 -10.874 540 2HG1 VAL 66 2HG1 VAL 66 -0.645 19.130 -9.946 541 3HG1 VAL 66 3HG1 VAL 66 0.257 17.681 -9.501 542 1HG2 VAL 66 1HG2 VAL 66 0.166 17.344 -12.718 543 2HG2 VAL 66 2HG2 VAL 66 1.536 18.293 -13.296 544 3HG2 VAL 66 3HG2 VAL 66 -0.041 19.055 -13.094 545 H LYS 67 H LYS 67 1.337 22.510 -10.083 546 HA LYS 67 HA LYS 67 2.867 21.945 -7.740 547 1HB LYS 67 1HB LYS 67 1.859 24.169 -7.019 548 2HB LYS 67 2HB LYS 67 2.632 24.184 -8.605 549 1HG LYS 67 1HG LYS 67 -0.037 23.376 -9.051 550 2HG LYS 67 2HG LYS 67 -0.121 24.736 -7.930 551 1HD LYS 67 1HD LYS 67 1.851 25.267 -9.974 552 2HD LYS 67 2HD LYS 67 0.308 24.852 -10.720 553 1HE LYS 67 1HE LYS 67 0.697 26.960 -8.560 554 2HE LYS 67 2HE LYS 67 0.418 27.283 -10.282 555 1HZ LYS 67 1HZ LYS 67 -1.479 26.636 -8.295 556 2HZ LYS 67 2HZ LYS 67 -1.478 25.413 -9.475 557 3HZ LYS 67 3HZ LYS 67 -1.747 27.030 -9.922 558 H ILE 68 H ILE 68 2.121 20.324 -6.383 559 HA ILE 68 HA ILE 68 -0.754 20.139 -5.715 560 HB ILE 68 HB ILE 68 1.423 18.534 -4.407 561 1HG1 ILE 68 1HG1 ILE 68 0.876 17.085 -6.673 562 2HG1 ILE 68 2HG1 ILE 68 0.914 18.729 -7.309 563 1HG2 ILE 68 1HG2 ILE 68 -0.855 18.034 -3.789 564 2HG2 ILE 68 2HG2 ILE 68 -0.295 16.731 -4.838 565 3HG2 ILE 68 3HG2 ILE 68 -1.356 17.984 -5.479 566 1HD1 ILE 68 1HD1 ILE 68 3.088 18.331 -5.441 567 2HD1 ILE 68 2HD1 ILE 68 3.159 18.805 -7.139 568 3HD1 ILE 68 3HD1 ILE 68 3.129 17.097 -6.701 569 HA PRO 69 HA PRO 69 -0.419 22.825 -2.246 570 1HB PRO 69 1HB PRO 69 -2.389 21.749 -0.677 571 2HB PRO 69 2HB PRO 69 -2.722 22.795 -2.072 572 1HG PRO 69 1HG PRO 69 -2.834 19.829 -1.863 573 2HG PRO 69 2HG PRO 69 -3.923 20.943 -2.705 574 1HD PRO 69 1HD PRO 69 -2.024 19.489 -3.981 575 2HD PRO 69 2HD PRO 69 -2.573 21.079 -4.551 576 H LYS 70 H LYS 70 -0.878 21.977 0.413 577 HA LYS 70 HA LYS 70 1.539 20.308 0.849 578 1HB LYS 70 1HB LYS 70 1.358 22.457 1.968 579 2HB LYS 70 2HB LYS 70 -0.226 22.031 2.614 580 1HG LYS 70 1HG LYS 70 0.754 20.253 3.964 581 2HG LYS 70 2HG LYS 70 2.342 20.552 3.254 582 1HD LYS 70 1HD LYS 70 1.884 23.024 4.110 583 2HD LYS 70 2HD LYS 70 0.815 22.192 5.238 584 1HE LYS 70 1HE LYS 70 3.562 21.064 4.872 585 2HE LYS 70 2HE LYS 70 3.396 22.554 5.822 586 1HZ LYS 70 1HZ LYS 70 3.076 20.610 7.226 587 2HZ LYS 70 2HZ LYS 70 1.826 20.059 6.216 588 3HZ LYS 70 3HZ LYS 70 1.635 21.495 7.104 589 H THR 71 H THR 71 -1.681 19.653 0.455 590 HA THR 71 HA THR 71 -2.043 17.820 2.732 591 HB THR 71 HB THR 71 -4.242 17.633 1.891 592 HG1 THR 71 HG1 THR 71 -3.559 18.674 -0.612 593 1HG2 THR 71 1HG2 THR 71 -3.413 20.031 2.427 594 2HG2 THR 71 2HG2 THR 71 -4.940 19.859 1.560 595 3HG2 THR 71 3HG2 THR 71 -3.471 20.283 0.682 596 H ILE 72 H ILE 72 -1.080 17.624 -0.651 597 HA ILE 72 HA ILE 72 -1.260 14.662 -0.648 598 HB ILE 72 HB ILE 72 -0.222 16.498 -2.810 599 1HG1 ILE 72 1HG1 ILE 72 -2.348 17.440 -2.107 600 2HG1 ILE 72 2HG1 ILE 72 -2.610 16.560 -3.614 601 1HG2 ILE 72 1HG2 ILE 72 -0.021 13.989 -3.018 602 2HG2 ILE 72 2HG2 ILE 72 -0.978 14.747 -4.291 603 3HG2 ILE 72 3HG2 ILE 72 -1.782 13.906 -2.965 604 1HD1 ILE 72 1HD1 ILE 72 -4.357 16.084 -1.881 605 2HD1 ILE 72 2HD1 ILE 72 -3.097 15.399 -0.856 606 3HD1 ILE 72 3HD1 ILE 72 -3.484 14.642 -2.400 607 H THR 73 H THR 73 0.488 13.431 -0.080 608 HA THR 73 HA THR 73 3.171 14.702 0.102 609 HB THR 73 HB THR 73 1.991 13.351 1.939 610 HG1 THR 73 HG1 THR 73 4.486 12.337 1.064 611 1HG2 THR 73 1HG2 THR 73 2.201 10.887 1.716 612 2HG2 THR 73 2HG2 THR 73 2.750 11.102 0.055 613 3HG2 THR 73 3HG2 THR 73 1.111 11.571 0.510 614 H VAL 74 H VAL 74 4.851 14.078 -1.274 615 HA VAL 74 HA VAL 74 4.141 12.387 -3.587 616 HB VAL 74 HB VAL 74 6.782 13.727 -2.993 617 1HG1 VAL 74 1HG1 VAL 74 6.369 14.152 -5.575 618 2HG1 VAL 74 2HG1 VAL 74 5.273 12.782 -5.403 619 3HG1 VAL 74 3HG1 VAL 74 6.982 12.597 -5.012 620 1HG2 VAL 74 1HG2 VAL 74 4.116 14.941 -3.415 621 2HG2 VAL 74 2HG2 VAL 74 5.388 15.571 -4.461 622 3HG2 VAL 74 3HG2 VAL 74 5.571 15.643 -2.709 623 H SER 75 H SER 75 5.754 10.752 -4.345 624 HA SER 75 HA SER 75 7.316 9.441 -2.163 625 1HB SER 75 1HB SER 75 4.774 8.622 -3.182 626 2HB SER 75 2HB SER 75 5.971 7.443 -3.709 627 HG SER 75 HG SER 75 4.942 7.879 -1.250 628 H THR 76 H THR 76 8.975 7.993 -2.993 629 HA THR 76 HA THR 76 9.457 8.179 -5.946 630 HB THR 76 HB THR 76 11.915 8.435 -5.207 631 HG1 THR 76 HG1 THR 76 11.886 9.557 -3.069 632 1HG2 THR 76 1HG2 THR 76 11.518 10.917 -4.675 633 2HG2 THR 76 2HG2 THR 76 9.798 10.549 -4.806 634 3HG2 THR 76 3HG2 THR 76 10.859 10.315 -6.196 635 H GLY 77 H GLY 77 10.037 6.214 -6.838 636 1HA GLY 77 1HA GLY 77 11.435 4.180 -5.283 637 2HA GLY 77 2HA GLY 77 9.755 3.758 -5.617 638 H PHE 78 H PHE 78 10.982 1.962 -6.821 639 HA PHE 78 HA PHE 78 11.214 2.769 -9.676 640 1HB PHE 78 1HB PHE 78 13.415 2.531 -8.030 641 2HB PHE 78 2HB PHE 78 13.314 0.923 -8.746 642 HD1 PHE 78 HD1 PHE 78 15.080 0.916 -10.322 643 HD2 PHE 78 HD2 PHE 78 12.289 4.181 -10.249 644 HE1 PHE 78 HE1 PHE 78 16.052 1.792 -12.428 645 HE2 PHE 78 HE2 PHE 78 13.259 5.056 -12.358 646 HZ PHE 78 HZ PHE 78 15.140 3.862 -13.447 647 H MET 79 H MET 79 10.799 0.990 -11.112 648 HA MET 79 HA MET 79 9.834 -1.515 -9.762 649 1HB MET 79 1HB MET 79 8.745 0.217 -11.971 650 2HB MET 79 2HB MET 79 8.282 -1.482 -11.873 651 1HG MET 79 1HG MET 79 7.662 -1.047 -9.442 652 2HG MET 79 2HG MET 79 7.855 0.672 -9.791 653 1HE MET 79 1HE MET 79 6.049 -2.644 -10.869 654 2HE MET 79 2HE MET 79 5.560 -1.980 -9.314 655 3HE MET 79 3HE MET 79 4.403 -2.054 -10.649 656 H SER 80 H SER 80 10.059 -3.479 -11.084 657 HA SER 80 HA SER 80 11.893 -3.269 -13.426 658 1HB SER 80 1HB SER 80 12.638 -3.953 -10.770 659 2HB SER 80 2HB SER 80 12.678 -5.445 -11.705 660 HG SER 80 HG SER 80 14.160 -4.578 -13.041 661 H ILE 81 H ILE 81 10.677 -4.311 -14.968 662 HA ILE 81 HA ILE 81 9.765 -7.082 -14.411 663 HB ILE 81 HB ILE 81 8.021 -4.726 -15.172 664 1HG1 ILE 81 1HG1 ILE 81 6.713 -6.160 -13.255 665 2HG1 ILE 81 2HG1 ILE 81 8.391 -6.474 -12.809 666 1HG2 ILE 81 1HG2 ILE 81 6.551 -7.182 -14.960 667 2HG2 ILE 81 2HG2 ILE 81 7.841 -7.396 -16.143 668 3HG2 ILE 81 3HG2 ILE 81 6.671 -6.093 -16.341 669 1HD1 ILE 81 1HD1 ILE 81 8.510 -3.802 -13.303 670 2HD1 ILE 81 2HD1 ILE 81 8.195 -4.483 -11.707 671 3HD1 ILE 81 3HD1 ILE 81 6.853 -3.944 -12.716 672 1H MET 1 1H MET 1 15.333 -1.787 0.737 673 2H MET 1 2H MET 1 14.693 -3.059 1.663 674 3H MET 1 3H MET 1 15.443 -1.742 2.429 675 HA MET 1 HA MET 1 13.469 -0.748 2.604 676 1HB MET 1 1HB MET 1 13.819 -0.935 -0.400 677 2HB MET 1 2HB MET 1 12.527 0.007 0.343 678 1HG MET 1 1HG MET 1 13.940 1.691 0.821 679 2HG MET 1 2HG MET 1 15.058 0.587 1.621 680 1HE MET 1 1HE MET 1 13.740 0.164 -1.963 681 2HE MET 1 2HE MET 1 13.770 1.919 -1.807 682 3HE MET 1 3HE MET 1 14.856 1.109 -2.945 683 H THR 2 H THR 2 11.122 -0.976 0.920 684 HA THR 2 HA THR 2 10.216 -3.679 1.780 685 HB THR 2 HB THR 2 7.964 -2.564 1.254 686 HG1 THR 2 HG1 THR 2 8.108 -0.288 1.074 687 1HG2 THR 2 1HG2 THR 2 7.903 -1.877 3.417 688 2HG2 THR 2 2HG2 THR 2 9.269 -0.779 3.204 689 3HG2 THR 2 3HG2 THR 2 9.552 -2.498 3.483 690 HA PRO 3 HA PRO 3 10.349 -4.697 -2.554 691 1HB PRO 3 1HB PRO 3 9.836 -7.369 -2.271 692 2HB PRO 3 2HB PRO 3 11.437 -6.659 -1.989 693 1HG PRO 3 1HG PRO 3 9.391 -7.555 -0.051 694 2HG PRO 3 2HG PRO 3 11.155 -7.580 0.071 695 1HD PRO 3 1HD PRO 3 9.503 -5.732 1.293 696 2HD PRO 3 2HD PRO 3 11.235 -5.508 0.984 697 H ILE 4 H ILE 4 8.700 -5.621 -4.110 698 HA ILE 4 HA ILE 4 5.942 -5.813 -2.973 699 HB ILE 4 HB ILE 4 5.285 -4.212 -4.872 700 1HG1 ILE 4 1HG1 ILE 4 8.137 -3.283 -4.756 701 2HG1 ILE 4 2HG1 ILE 4 7.707 -4.590 -5.861 702 1HG2 ILE 4 1HG2 ILE 4 5.133 -2.850 -3.086 703 2HG2 ILE 4 2HG2 ILE 4 6.804 -2.366 -3.373 704 3HG2 ILE 4 3HG2 ILE 4 6.448 -3.697 -2.274 705 1HD1 ILE 4 1HD1 ILE 4 7.498 -2.492 -7.056 706 2HD1 ILE 4 2HD1 ILE 4 6.495 -1.815 -5.773 707 3HD1 ILE 4 3HD1 ILE 4 5.878 -3.130 -6.773 708 H VAL 5 H VAL 5 4.994 -7.605 -3.847 709 HA VAL 5 HA VAL 5 6.074 -8.767 -6.360 710 HB VAL 5 HB VAL 5 5.722 -10.094 -4.258 711 1HG1 VAL 5 1HG1 VAL 5 2.773 -9.983 -4.814 712 2HG1 VAL 5 2HG1 VAL 5 3.511 -8.713 -3.840 713 3HG1 VAL 5 3HG1 VAL 5 3.610 -10.395 -3.316 714 1HG2 VAL 5 1HG2 VAL 5 5.143 -10.779 -6.895 715 2HG2 VAL 5 2HG2 VAL 5 3.741 -11.363 -5.998 716 3HG2 VAL 5 3HG2 VAL 5 5.360 -11.912 -5.561 717 H HIS 6 H HIS 6 5.025 -8.386 -8.274 718 HA HIS 6 HA HIS 6 2.211 -7.369 -8.174 719 1HB HIS 6 1HB HIS 6 4.575 -6.527 -9.450 720 2HB HIS 6 2HB HIS 6 3.571 -7.200 -10.734 721 HD1 HIS 6 HD1 HIS 6 2.584 -5.141 -11.793 722 HD2 HIS 6 HD2 HIS 6 2.239 -5.081 -7.639 723 HE1 HIS 6 HE1 HIS 6 1.156 -3.129 -11.222 724 H LEU 7 H LEU 7 0.623 -8.749 -8.898 725 HA LEU 7 HA LEU 7 1.432 -10.959 -10.759 726 1HB LEU 7 1HB LEU 7 -0.132 -12.390 -9.480 727 2HB LEU 7 2HB LEU 7 1.126 -11.734 -8.432 728 HG LEU 7 HG LEU 7 -1.071 -9.878 -8.554 729 1HD1 LEU 7 1HD1 LEU 7 -2.342 -11.903 -7.090 730 2HD1 LEU 7 2HD1 LEU 7 -1.816 -12.690 -8.579 731 3HD1 LEU 7 3HD1 LEU 7 -2.850 -11.262 -8.652 732 1HD2 LEU 7 1HD2 LEU 7 -0.100 -11.649 -6.290 733 2HD2 LEU 7 2HD2 LEU 7 -0.968 -10.122 -6.135 734 3HD2 LEU 7 3HD2 LEU 7 0.678 -10.141 -6.768 735 H LYS 8 H LYS 8 -0.232 -11.613 -12.256 736 HA LYS 8 HA LYS 8 -2.679 -9.902 -12.356 737 1HB LYS 8 1HB LYS 8 -1.025 -8.785 -13.729 738 2HB LYS 8 2HB LYS 8 -0.586 -10.302 -14.514 739 1HG LYS 8 1HG LYS 8 -2.793 -10.467 -15.533 740 2HG LYS 8 2HG LYS 8 -3.335 -9.033 -14.661 741 1HD LYS 8 1HD LYS 8 -2.611 -7.786 -16.388 742 2HD LYS 8 2HD LYS 8 -0.964 -8.265 -15.977 743 1HE LYS 8 1HE LYS 8 -2.537 -10.275 -17.507 744 2HE LYS 8 2HE LYS 8 -2.073 -8.808 -18.392 745 1HZ LYS 8 1HZ LYS 8 -0.215 -10.421 -16.727 746 2HZ LYS 8 2HZ LYS 8 0.188 -9.090 -17.701 747 3HZ LYS 8 3HZ LYS 8 -0.328 -10.543 -18.415 748 H GLY 9 H GLY 9 -4.209 -10.798 -14.102 749 1HA GLY 9 1HA GLY 9 -4.170 -13.134 -15.473 750 2HA GLY 9 2HA GLY 9 -4.310 -13.729 -13.817 751 H ASP 10 H ASP 10 -6.409 -14.510 -15.038 752 HA ASP 10 HA ASP 10 -8.536 -12.662 -15.566 753 1HB ASP 10 1HB ASP 10 -8.172 -15.585 -15.069 754 2HB ASP 10 2HB ASP 10 -9.815 -14.946 -14.990 755 H ALA 11 H ALA 11 -10.233 -11.953 -14.227 756 HA ALA 11 HA ALA 11 -9.789 -11.327 -11.539 757 1HB ALA 11 1HB ALA 11 -11.648 -10.213 -12.194 758 2HB ALA 11 2HB ALA 11 -11.977 -11.392 -13.464 759 3HB ALA 11 3HB ALA 11 -12.553 -11.681 -11.822 760 H ASN 12 H ASN 12 -11.591 -14.151 -12.814 761 HA ASN 12 HA ASN 12 -12.373 -15.298 -10.354 762 1HB ASN 12 1HB ASN 12 -11.464 -16.711 -12.881 763 2HB ASN 12 2HB ASN 12 -12.599 -17.331 -11.682 764 1HD2 ASN 12 1HD2 ASN 12 -14.699 -17.172 -12.465 765 2HD2 ASN 12 2HD2 ASN 12 -15.305 -15.877 -13.382 766 H THR 13 H THR 13 -9.379 -15.916 -12.228 767 HA THR 13 HA THR 13 -8.208 -17.817 -10.483 768 HB THR 13 HB THR 13 -6.510 -15.779 -11.849 769 HG1 THR 13 HG1 THR 13 -8.433 -17.428 -13.103 770 1HG2 THR 13 1HG2 THR 13 -5.902 -18.132 -10.834 771 2HG2 THR 13 2HG2 THR 13 -5.186 -17.623 -12.364 772 3HG2 THR 13 3HG2 THR 13 -6.555 -18.734 -12.358 773 H LEU 14 H LEU 14 -8.595 -14.370 -10.092 774 HA LEU 14 HA LEU 14 -6.439 -13.993 -8.180 775 1HB LEU 14 1HB LEU 14 -8.943 -12.451 -8.918 776 2HB LEU 14 2HB LEU 14 -7.734 -11.844 -7.788 777 HG LEU 14 HG LEU 14 -6.973 -12.778 -10.555 778 1HD1 LEU 14 1HD1 LEU 14 -7.131 -9.879 -10.139 779 2HD1 LEU 14 2HD1 LEU 14 -8.707 -10.669 -10.087 780 3HD1 LEU 14 3HD1 LEU 14 -7.677 -10.847 -11.509 781 1HD2 LEU 14 1HD2 LEU 14 -5.701 -10.774 -8.668 782 2HD2 LEU 14 2HD2 LEU 14 -4.997 -11.438 -10.142 783 3HD2 LEU 14 3HD2 LEU 14 -5.247 -12.477 -8.739 784 H LYS 15 H LYS 15 -9.944 -14.621 -7.900 785 HA LYS 15 HA LYS 15 -10.188 -14.298 -5.082 786 1HB LYS 15 1HB LYS 15 -11.929 -14.625 -6.984 787 2HB LYS 15 2HB LYS 15 -11.671 -16.352 -6.724 788 1HG LYS 15 1HG LYS 15 -11.998 -15.579 -4.163 789 2HG LYS 15 2HG LYS 15 -12.977 -14.344 -4.957 790 1HD LYS 15 1HD LYS 15 -13.264 -17.318 -5.469 791 2HD LYS 15 2HD LYS 15 -14.270 -16.411 -4.340 792 1HE LYS 15 1HE LYS 15 -15.524 -15.522 -6.019 793 2HE LYS 15 2HE LYS 15 -14.089 -15.155 -6.997 794 1HZ LYS 15 1HZ LYS 15 -15.603 -16.978 -7.863 795 2HZ LYS 15 2HZ LYS 15 -15.036 -17.928 -6.572 796 3HZ LYS 15 3HZ LYS 15 -13.953 -17.354 -7.749 797 H CYS 16 H CYS 16 -8.857 -16.923 -6.995 798 HA CYS 16 HA CYS 16 -9.007 -18.984 -4.981 799 1HB CYS 16 1HB CYS 16 -8.720 -19.481 -7.332 800 2HB CYS 16 2HB CYS 16 -7.249 -18.511 -7.406 801 HG CYS 16 HG CYS 16 -6.761 -20.582 -5.346 802 H LEU 17 H LEU 17 -6.240 -16.963 -6.062 803 HA LEU 17 HA LEU 17 -4.376 -17.858 -4.117 804 1HB LEU 17 1HB LEU 17 -4.677 -15.130 -5.410 805 2HB LEU 17 2HB LEU 17 -3.190 -15.797 -4.736 806 HG LEU 17 HG LEU 17 -4.738 -16.841 -7.123 807 1HD1 LEU 17 1HD1 LEU 17 -2.720 -14.913 -6.886 808 2HD1 LEU 17 2HD1 LEU 17 -3.224 -15.726 -8.366 809 3HD1 LEU 17 3HD1 LEU 17 -1.885 -16.371 -7.419 810 1HD2 LEU 17 1HD2 LEU 17 -2.263 -17.981 -5.783 811 2HD2 LEU 17 2HD2 LEU 17 -3.029 -18.604 -7.244 812 3HD2 LEU 17 3HD2 LEU 17 -3.875 -18.692 -5.700 813 H ARG 18 H ARG 18 -6.396 -14.898 -4.039 814 HA ARG 18 HA ARG 18 -5.710 -13.844 -1.568 815 1HB ARG 18 1HB ARG 18 -7.252 -12.717 -2.981 816 2HB ARG 18 2HB ARG 18 -8.344 -14.102 -3.027 817 1HG ARG 18 1HG ARG 18 -9.412 -13.403 -1.173 818 2HG ARG 18 2HG ARG 18 -7.890 -13.259 -0.293 819 1HD ARG 18 1HD ARG 18 -8.573 -11.027 -0.308 820 2HD ARG 18 2HD ARG 18 -7.641 -11.072 -1.819 821 HE ARG 18 HE ARG 18 -10.532 -11.757 -1.942 822 1HH1 ARG 18 1HH2 ARG 18 -8.392 -9.128 -1.981 823 2HH1 ARG 18 2HH2 ARG 18 -9.028 -8.426 -3.430 824 1HH2 ARG 18 1HH1 ARG 18 -11.161 -11.076 -4.096 825 2HH2 ARG 18 2HH1 ARG 18 -10.595 -9.528 -4.628 826 H TYR 19 H TYR 19 -7.532 -16.800 -2.148 827 HA TYR 19 HA TYR 19 -8.783 -17.043 0.420 828 1HB TYR 19 1HB TYR 19 -9.524 -18.405 -1.378 829 2HB TYR 19 2HB TYR 19 -7.890 -18.958 -1.738 830 HD1 TYR 19 HD1 TYR 19 -10.508 -19.039 0.933 831 HD2 TYR 19 HD2 TYR 19 -7.066 -20.942 -0.792 832 HE1 TYR 19 HE1 TYR 19 -10.823 -20.981 2.446 833 HE2 TYR 19 HE2 TYR 19 -7.379 -22.883 0.720 834 HH TYR 19 HH TYR 19 -8.670 -23.052 3.247 835 H ARG 20 H ARG 20 -5.595 -18.115 -0.778 836 HA ARG 20 HA ARG 20 -4.859 -19.484 1.672 837 1HB ARG 20 1HB ARG 20 -3.227 -18.350 -0.622 838 2HB ARG 20 2HB ARG 20 -2.638 -19.510 0.569 839 1HG ARG 20 1HG ARG 20 -3.801 -21.253 -0.352 840 2HG ARG 20 2HG ARG 20 -5.163 -20.232 -0.817 841 1HD ARG 20 1HD ARG 20 -4.316 -19.893 -2.901 842 2HD ARG 20 2HD ARG 20 -2.688 -19.578 -2.267 843 HE ARG 20 HE ARG 20 -2.202 -21.903 -2.445 844 1HH1 ARG 20 1HH1 ARG 20 -4.979 -22.618 -1.240 845 2HH1 ARG 20 2HH1 ARG 20 -5.628 -23.581 -2.526 846 1HH2 ARG 20 1HH2 ARG 20 -3.273 -22.541 -4.849 847 2HH2 ARG 20 2HH2 ARG 20 -4.661 -23.537 -4.568 848 H PHE 21 H PHE 21 -4.718 -16.155 0.594 849 HA PHE 21 HA PHE 21 -2.631 -15.216 2.330 850 1HB PHE 21 1HB PHE 21 -5.071 -13.873 1.122 851 2HB PHE 21 2HB PHE 21 -3.708 -13.012 1.836 852 HD1 PHE 21 HD1 PHE 21 -2.252 -15.849 0.522 853 HD2 PHE 21 HD2 PHE 21 -4.100 -12.195 -0.789 854 HE1 PHE 21 HE1 PHE 21 -1.029 -16.001 -1.629 855 HE2 PHE 21 HE2 PHE 21 -2.874 -12.350 -2.939 856 HZ PHE 21 HZ PHE 21 -1.340 -14.252 -3.360 857 H LYS 22 H LYS 22 -6.048 -15.885 2.844 858 HA LYS 22 HA LYS 22 -6.444 -14.380 5.247 859 1HB LYS 22 1HB LYS 22 -7.641 -16.946 4.160 860 2HB LYS 22 2HB LYS 22 -8.302 -16.071 5.543 861 1HG LYS 22 1HG LYS 22 -7.895 -14.879 2.784 862 2HG LYS 22 2HG LYS 22 -9.437 -15.469 3.406 863 1HD LYS 22 1HD LYS 22 -8.698 -13.832 5.442 864 2HD LYS 22 2HD LYS 22 -7.953 -12.994 4.080 865 1HE LYS 22 1HE LYS 22 -10.246 -13.274 2.899 866 2HE LYS 22 2HE LYS 22 -10.876 -13.618 4.523 867 1HZ LYS 22 1HZ LYS 22 -9.097 -11.311 4.059 868 2HZ LYS 22 2HZ LYS 22 -10.213 -11.562 5.316 869 3HZ LYS 22 3HZ LYS 22 -10.760 -11.177 3.754 870 H LYS 23 H LYS 23 -5.324 -17.723 4.702 871 HA LYS 23 HA LYS 23 -5.063 -18.337 7.533 872 1HB LYS 23 1HB LYS 23 -3.832 -19.616 5.071 873 2HB LYS 23 2HB LYS 23 -4.036 -20.380 6.647 874 1HG LYS 23 1HG LYS 23 -6.451 -19.227 5.304 875 2HG LYS 23 2HG LYS 23 -5.816 -20.763 4.712 876 1HD LYS 23 1HD LYS 23 -6.135 -21.832 6.799 877 2HD LYS 23 2HD LYS 23 -6.308 -20.299 7.654 878 1HE LYS 23 1HE LYS 23 -8.280 -20.654 5.495 879 2HE LYS 23 2HE LYS 23 -8.426 -21.844 6.803 880 1HZ LYS 23 1HZ LYS 23 -7.860 -19.113 7.618 881 2HZ LYS 23 2HZ LYS 23 -8.891 -20.264 8.323 882 3HZ LYS 23 3HZ LYS 23 -9.407 -19.372 6.972 883 H HIS 24 H HIS 24 -2.809 -17.339 4.953 884 HA HIS 24 HA HIS 24 -0.560 -17.280 6.891 885 1HB HIS 24 1HB HIS 24 -0.745 -16.744 3.909 886 2HB HIS 24 2HB HIS 24 0.751 -16.903 4.829 887 HD1 HIS 24 HD1 HIS 24 0.060 -19.313 6.595 888 HD2 HIS 24 HD2 HIS 24 -0.780 -19.153 2.516 889 HE1 HIS 24 HE1 HIS 24 -0.152 -21.713 5.813 890 H CYS 25 H CYS 25 -2.669 -15.353 7.318 891 HA CYS 25 HA CYS 25 -2.243 -12.794 6.177 892 1HB CYS 25 1HB CYS 25 -3.277 -12.050 8.372 893 2HB CYS 25 2HB CYS 25 -4.167 -13.326 7.541 894 HG CYS 25 HG CYS 25 -2.528 -14.904 9.251 895 H THR 26 H THR 26 -0.207 -14.614 8.273 896 HA THR 26 HA THR 26 1.215 -12.204 9.278 897 HB THR 26 HB THR 26 2.287 -13.795 10.752 898 HG1 THR 26 HG1 THR 26 2.597 -15.394 9.112 899 1HG2 THR 26 1HG2 THR 26 -0.576 -13.659 10.434 900 2HG2 THR 26 2HG2 THR 26 0.367 -13.785 11.918 901 3HG2 THR 26 3HG2 THR 26 -0.117 -15.244 11.055 902 H LEU 27 H LEU 27 1.267 -13.938 6.482 903 HA LEU 27 HA LEU 27 4.210 -14.181 6.238 904 1HB LEU 27 1HB LEU 27 1.771 -15.186 4.937 905 2HB LEU 27 2HB LEU 27 3.056 -14.778 3.797 906 HG LEU 27 HG LEU 27 4.625 -16.105 5.332 907 1HD1 LEU 27 1HD1 LEU 27 3.145 -16.182 7.290 908 2HD1 LEU 27 2HD1 LEU 27 3.500 -17.817 6.732 909 3HD1 LEU 27 3HD1 LEU 27 1.942 -17.078 6.363 910 1HD2 LEU 27 1HD2 LEU 27 3.354 -16.835 3.119 911 2HD2 LEU 27 2HD2 LEU 27 2.505 -17.914 4.226 912 3HD2 LEU 27 3HD2 LEU 27 4.258 -18.018 4.065 913 H TYR 28 H TYR 28 1.624 -12.007 5.329 914 HA TYR 28 HA TYR 28 3.603 -10.343 3.822 915 1HB TYR 28 1HB TYR 28 1.817 -9.829 2.248 916 2HB TYR 28 2HB TYR 28 1.945 -11.581 2.391 917 HD1 TYR 28 HD1 TYR 28 0.179 -12.895 3.354 918 HD2 TYR 28 HD2 TYR 28 -0.006 -8.602 3.426 919 HE1 TYR 28 HE1 TYR 28 -2.195 -13.009 4.062 920 HE2 TYR 28 HE2 TYR 28 -2.380 -8.717 4.134 921 HH TYR 28 HH TYR 28 -3.941 -11.831 4.831 922 H THR 29 H THR 29 2.365 -8.017 3.560 923 HA THR 29 HA THR 29 1.818 -7.171 6.355 924 HB THR 29 HB THR 29 2.357 -5.692 3.759 925 HG1 THR 29 HG1 THR 29 4.014 -7.007 4.955 926 1HG2 THR 29 1HG2 THR 29 2.775 -3.754 5.354 927 2HG2 THR 29 2HG2 THR 29 1.970 -4.714 6.596 928 3HG2 THR 29 3HG2 THR 29 1.086 -4.218 5.153 929 H ALA 30 H ALA 30 0.430 -6.216 3.161 930 HA ALA 30 HA ALA 30 -2.289 -6.701 4.144 931 1HB ALA 30 1HB ALA 30 -1.510 -4.483 5.067 932 2HB ALA 30 2HB ALA 30 -1.296 -3.927 3.407 933 3HB ALA 30 3HB ALA 30 -2.905 -4.348 3.996 934 H VAL 31 H VAL 31 -3.701 -6.851 2.407 935 HA VAL 31 HA VAL 31 -2.483 -7.004 -0.287 936 HB VAL 31 HB VAL 31 -3.813 -8.872 0.558 937 1HG1 VAL 31 1HG1 VAL 31 -5.454 -6.732 1.552 938 2HG1 VAL 31 2HG1 VAL 31 -5.561 -8.456 1.912 939 3HG1 VAL 31 3HG1 VAL 31 -6.441 -7.786 0.539 940 1HG2 VAL 31 1HG2 VAL 31 -4.520 -7.323 -1.814 941 2HG2 VAL 31 2HG2 VAL 31 -5.877 -8.290 -1.234 942 3HG2 VAL 31 3HG2 VAL 31 -4.346 -9.069 -1.632 943 H SER 32 H SER 32 -2.400 -4.904 -1.154 944 HA SER 32 HA SER 32 -4.172 -2.764 -0.733 945 1HB SER 32 1HB SER 32 -3.411 -2.251 -3.201 946 2HB SER 32 2HB SER 32 -2.200 -2.318 -1.924 947 HG SER 32 HG SER 32 -2.957 -4.473 -3.618 948 H SER 33 H SER 33 -6.039 -2.024 -1.976 949 HA SER 33 HA SER 33 -7.965 -4.027 -2.615 950 1HB SER 33 1HB SER 33 -9.015 -1.940 -3.808 951 2HB SER 33 2HB SER 33 -8.779 -1.893 -2.063 952 HG SER 33 HG SER 33 -7.964 -0.086 -3.523 953 H THR 34 H THR 34 -8.865 -4.529 -4.760 954 HA THR 34 HA THR 34 -6.860 -5.170 -6.722 955 HB THR 34 HB THR 34 -9.883 -5.152 -6.617 956 HG1 THR 34 HG1 THR 34 -8.334 -6.713 -5.542 957 1HG2 THR 34 1HG2 THR 34 -8.078 -5.524 -8.944 958 2HG2 THR 34 2HG2 THR 34 -9.766 -5.013 -8.896 959 3HG2 THR 34 3HG2 THR 34 -9.358 -6.723 -8.754 960 H TRP 35 H TRP 35 -6.026 -3.847 -8.291 961 HA TRP 35 HA TRP 35 -7.708 -1.654 -9.401 962 1HB TRP 35 1HB TRP 35 -6.083 0.009 -8.844 963 2HB TRP 35 2HB TRP 35 -6.283 -0.948 -7.376 964 HD1 TRP 35 HD1 TRP 35 -4.269 -2.389 -6.558 965 HE1 TRP 35 HE1 TRP 35 -1.806 -2.576 -7.297 966 HE3 TRP 35 HE3 TRP 35 -4.486 0.134 -10.993 967 HZ2 TRP 35 HZ2 TRP 35 -0.146 -1.762 -9.480 968 HZ3 TRP 35 HZ3 TRP 35 -2.452 0.413 -12.382 969 HH2 TRP 35 HH2 TRP 35 -0.285 -0.530 -11.632 970 H HIS 36 H HIS 36 -6.408 -0.606 -11.306 971 HA HIS 36 HA HIS 36 -4.340 -2.289 -12.533 972 1HB HIS 36 1HB HIS 36 -6.641 -3.405 -12.823 973 2HB HIS 36 2HB HIS 36 -7.027 -2.068 -13.904 974 HD1 HIS 36 HD1 HIS 36 -3.573 -3.554 -13.732 975 HD2 HIS 36 HD2 HIS 36 -6.884 -3.634 -16.263 976 HE1 HIS 36 HE1 HIS 36 -2.815 -4.683 -15.869 977 H TRP 37 H TRP 37 -4.170 -1.476 -14.989 978 HA TRP 37 HA TRP 37 -3.727 1.417 -14.851 979 1HB TRP 37 1HB TRP 37 -3.424 -0.665 -17.039 980 2HB TRP 37 2HB TRP 37 -2.856 1.000 -17.170 981 HD1 TRP 37 HD1 TRP 37 -1.542 -2.233 -16.412 982 HE1 TRP 37 HE1 TRP 37 0.549 -2.116 -14.910 983 HE3 TRP 37 HE3 TRP 37 -1.928 2.576 -14.737 984 HZ2 TRP 37 HZ2 TRP 37 1.882 -0.230 -13.221 985 HZ3 TRP 37 HZ3 TRP 37 -0.236 3.507 -13.184 986 HH2 TRP 37 HH2 TRP 37 1.667 2.111 -12.423 987 H THR 38 H THR 38 -5.849 2.344 -14.723 988 HA THR 38 HA THR 38 -7.470 2.068 -17.233 989 HB THR 38 HB THR 38 -9.449 2.242 -15.787 990 HG1 THR 38 HG1 THR 38 -7.780 3.332 -14.128 991 1HG2 THR 38 1HG2 THR 38 -8.582 0.194 -14.170 992 2HG2 THR 38 2HG2 THR 38 -7.415 0.143 -15.490 993 3HG2 THR 38 3HG2 THR 38 -9.139 -0.001 -15.832 994 H GLY 39 H GLY 39 -9.311 4.108 -15.937 995 1HA GLY 39 1HA GLY 39 -7.767 6.528 -15.559 996 2HA GLY 39 2HA GLY 39 -8.454 6.449 -17.183 997 H HIS 40 H HIS 40 -10.907 5.363 -16.827 998 HA HIS 40 HA HIS 40 -12.319 6.612 -14.571 999 1HB HIS 40 1HB HIS 40 -11.811 8.461 -16.193 1000 2HB HIS 40 2HB HIS 40 -12.734 7.589 -17.416 1001 HD1 HIS 40 HD1 HIS 40 -14.174 9.961 -17.187 1002 HD2 HIS 40 HD2 HIS 40 -14.512 7.199 -14.082 1003 HE1 HIS 40 HE1 HIS 40 -16.286 10.559 -15.924 1004 H ASN 41 H ASN 41 -13.032 5.639 -17.951 1005 HA ASN 41 HA ASN 41 -15.457 4.218 -17.140 1006 1HB ASN 41 1HB ASN 41 -13.947 4.903 -19.618 1007 2HB ASN 41 2HB ASN 41 -15.027 3.511 -19.709 1008 1HD2 ASN 41 1HD2 ASN 41 -17.135 4.050 -20.278 1009 2HD2 ASN 41 2HD2 ASN 41 -17.876 5.546 -19.977 1010 H VAL 42 H VAL 42 -15.123 2.323 -15.996 1011 HA VAL 42 HA VAL 42 -13.229 0.329 -17.191 1012 HB VAL 42 HB VAL 42 -13.390 -0.129 -14.410 1013 1HG1 VAL 42 1HG1 VAL 42 -11.128 1.441 -15.572 1014 2HG1 VAL 42 2HG1 VAL 42 -11.474 -0.146 -16.258 1015 3HG1 VAL 42 3HG1 VAL 42 -11.090 0.009 -14.543 1016 1HG2 VAL 42 1HG2 VAL 42 -14.318 2.246 -14.320 1017 2HG2 VAL 42 2HG2 VAL 42 -12.756 2.789 -14.932 1018 3HG2 VAL 42 3HG2 VAL 42 -12.856 1.973 -13.372 1019 H LYS 43 H LYS 43 -14.119 -1.695 -17.451 1020 HA LYS 43 HA LYS 43 -16.511 -2.467 -15.871 1021 1HB LYS 43 1HB LYS 43 -17.512 -1.325 -17.709 1022 2HB LYS 43 2HB LYS 43 -16.380 -2.033 -18.861 1023 1HG LYS 43 1HG LYS 43 -17.679 -4.176 -17.494 1024 2HG LYS 43 2HG LYS 43 -18.924 -3.047 -18.032 1025 1HD LYS 43 1HD LYS 43 -17.546 -3.061 -20.280 1026 2HD LYS 43 2HD LYS 43 -16.945 -4.603 -19.668 1027 1HE LYS 43 1HE LYS 43 -19.300 -5.383 -19.385 1028 2HE LYS 43 2HE LYS 43 -19.861 -3.860 -20.105 1029 1HZ LYS 43 1HZ LYS 43 -19.587 -4.934 -22.043 1030 2HZ LYS 43 2HZ LYS 43 -18.585 -6.129 -21.368 1031 3HZ LYS 43 3HZ LYS 43 -17.935 -4.624 -21.819 1032 H HIS 44 H HIS 44 -14.163 -3.348 -18.411 1033 HA HIS 44 HA HIS 44 -13.972 -6.057 -17.194 1034 1HB HIS 44 1HB HIS 44 -14.163 -7.003 -19.542 1035 2HB HIS 44 2HB HIS 44 -15.652 -6.310 -18.901 1036 HD1 HIS 44 HD1 HIS 44 -16.168 -6.097 -21.595 1037 HD2 HIS 44 HD2 HIS 44 -13.290 -3.518 -20.030 1038 HE1 HIS 44 HE1 HIS 44 -15.889 -4.228 -23.281 1039 H LYS 45 H LYS 45 -11.810 -5.578 -16.568 1040 HA LYS 45 HA LYS 45 -9.873 -5.439 -18.843 1041 1HB LYS 45 1HB LYS 45 -10.538 -3.263 -17.374 1042 2HB LYS 45 2HB LYS 45 -9.256 -3.923 -16.358 1043 1HG LYS 45 1HG LYS 45 -8.136 -2.478 -17.876 1044 2HG LYS 45 2HG LYS 45 -7.867 -4.101 -18.517 1045 1HD LYS 45 1HD LYS 45 -9.756 -3.803 -20.077 1046 2HD LYS 45 2HD LYS 45 -10.029 -2.181 -19.439 1047 1HE LYS 45 1HE LYS 45 -7.722 -1.539 -20.149 1048 2HE LYS 45 2HE LYS 45 -7.528 -3.148 -20.873 1049 1HZ LYS 45 1HZ LYS 45 -8.704 -0.983 -22.071 1050 2HZ LYS 45 2HZ LYS 45 -10.020 -1.936 -21.577 1051 3HZ LYS 45 3HZ LYS 45 -8.822 -2.595 -22.584 1052 H SER 46 H SER 46 -7.549 -5.820 -17.823 1053 HA SER 46 HA SER 46 -7.689 -8.357 -16.351 1054 1HB SER 46 1HB SER 46 -6.034 -7.136 -18.234 1055 2HB SER 46 2HB SER 46 -5.060 -7.148 -16.766 1056 HG SER 46 HG SER 46 -6.392 -9.357 -17.961 1057 H ALA 47 H ALA 47 -8.655 -7.140 -14.390 1058 HA ALA 47 HA ALA 47 -7.449 -5.247 -12.784 1059 1HB ALA 47 1HB ALA 47 -9.595 -6.445 -12.390 1060 2HB ALA 47 2HB ALA 47 -8.684 -7.876 -11.904 1061 3HB ALA 47 3HB ALA 47 -8.591 -6.400 -10.941 1062 H ILE 48 H ILE 48 -5.938 -5.366 -11.006 1063 HA ILE 48 HA ILE 48 -4.239 -7.801 -10.834 1064 HB ILE 48 HB ILE 48 -3.326 -5.008 -11.575 1065 1HG1 ILE 48 1HG1 ILE 48 -3.143 -7.697 -12.970 1066 2HG1 ILE 48 2HG1 ILE 48 -4.213 -6.369 -13.424 1067 1HG2 ILE 48 1HG2 ILE 48 -1.270 -7.044 -11.634 1068 2HG2 ILE 48 2HG2 ILE 48 -1.965 -6.930 -10.016 1069 3HG2 ILE 48 3HG2 ILE 48 -1.273 -5.499 -10.782 1070 1HD1 ILE 48 1HD1 ILE 48 -2.145 -4.932 -13.712 1071 2HD1 ILE 48 2HD1 ILE 48 -2.284 -6.257 -14.868 1072 3HD1 ILE 48 3HD1 ILE 48 -1.184 -6.395 -13.498 1073 H VAL 49 H VAL 49 -3.117 -7.942 -8.818 1074 HA VAL 49 HA VAL 49 -3.859 -5.836 -6.811 1075 HB VAL 49 HB VAL 49 -3.380 -8.732 -6.133 1076 1HG1 VAL 49 1HG1 VAL 49 -3.627 -7.182 -4.285 1077 2HG1 VAL 49 2HG1 VAL 49 -5.096 -8.152 -4.389 1078 3HG1 VAL 49 3HG1 VAL 49 -5.088 -6.498 -4.999 1079 1HG2 VAL 49 1HG2 VAL 49 -6.115 -8.547 -6.343 1080 2HG2 VAL 49 2HG2 VAL 49 -5.072 -9.298 -7.549 1081 3HG2 VAL 49 3HG2 VAL 49 -5.586 -7.623 -7.749 1082 H THR 50 H THR 50 -2.287 -5.920 -4.873 1083 HA THR 50 HA THR 50 0.450 -6.835 -5.623 1084 HB THR 50 HB THR 50 -0.384 -4.005 -4.907 1085 HG1 THR 50 HG1 THR 50 0.528 -3.636 -7.016 1086 1HG2 THR 50 1HG2 THR 50 1.906 -3.403 -4.920 1087 2HG2 THR 50 2HG2 THR 50 2.391 -4.938 -5.638 1088 3HG2 THR 50 3HG2 THR 50 1.845 -4.883 -3.963 1089 H LEU 51 H LEU 51 1.883 -6.940 -3.742 1090 HA LEU 51 HA LEU 51 0.512 -6.642 -1.098 1091 1HB LEU 51 1HB LEU 51 1.966 -9.015 -2.286 1092 2HB LEU 51 2HB LEU 51 1.666 -8.868 -0.553 1093 HG LEU 51 HG LEU 51 -0.804 -8.283 -1.644 1094 1HD1 LEU 51 1HD1 LEU 51 0.620 -9.435 -3.728 1095 2HD1 LEU 51 2HD1 LEU 51 -1.138 -9.371 -3.599 1096 3HD1 LEU 51 3HD1 LEU 51 -0.264 -10.799 -3.043 1097 1HD2 LEU 51 1HD2 LEU 51 0.505 -10.549 -0.271 1098 2HD2 LEU 51 2HD2 LEU 51 -0.977 -10.970 -1.130 1099 3HD2 LEU 51 3HD2 LEU 51 -1.004 -9.721 0.115 1100 H THR 52 H THR 52 1.826 -5.665 0.405 1101 HA THR 52 HA THR 52 4.631 -5.055 -0.381 1102 HB THR 52 HB THR 52 2.696 -4.018 1.706 1103 HG1 THR 52 HG1 THR 52 3.835 -2.285 -0.046 1104 1HG2 THR 52 1HG2 THR 52 4.545 -2.247 2.011 1105 2HG2 THR 52 2HG2 THR 52 5.622 -3.429 1.268 1106 3HG2 THR 52 3HG2 THR 52 4.796 -3.815 2.777 1107 H TYR 53 H TYR 53 6.330 -6.081 0.618 1108 HA TYR 53 HA TYR 53 5.719 -7.790 3.001 1109 1HB TYR 53 1HB TYR 53 7.865 -7.903 0.860 1110 2HB TYR 53 2HB TYR 53 7.752 -9.030 2.211 1111 HD1 TYR 53 HD1 TYR 53 5.629 -7.591 -0.530 1112 HD2 TYR 53 HD2 TYR 53 6.525 -10.997 1.931 1113 HE1 TYR 53 HE1 TYR 53 3.971 -8.938 -1.790 1114 HE2 TYR 53 HE2 TYR 53 4.868 -12.344 0.669 1115 HH TYR 53 HH TYR 53 3.864 -12.034 -1.961 1116 H ASP 54 H ASP 54 7.103 -7.640 4.822 1117 HA ASP 54 HA ASP 54 8.431 -5.070 5.206 1118 1HB ASP 54 1HB ASP 54 8.359 -7.560 6.938 1119 2HB ASP 54 2HB ASP 54 8.694 -5.914 7.476 1120 H SER 55 H SER 55 9.447 -7.918 3.739 1121 HA SER 55 HA SER 55 12.230 -7.088 3.707 1122 1HB SER 55 1HB SER 55 11.533 -8.283 6.016 1123 2HB SER 55 2HB SER 55 11.868 -9.722 5.062 1124 HG SER 55 HG SER 55 13.728 -8.902 6.140 1125 H GLU 56 H GLU 56 13.239 -8.065 1.953 1126 HA GLU 56 HA GLU 56 11.769 -9.500 0.008 1127 1HB GLU 56 1HB GLU 56 14.749 -9.463 0.597 1128 2HB GLU 56 2HB GLU 56 14.020 -9.911 -0.945 1129 1HG GLU 56 1HG GLU 56 13.383 -7.734 -1.436 1130 2HG GLU 56 2HG GLU 56 13.309 -7.264 0.263 1131 H TRP 57 H TRP 57 13.660 -10.643 2.769 1132 HA TRP 57 HA TRP 57 13.962 -13.373 2.130 1133 1HB TRP 57 1HB TRP 57 15.017 -12.463 4.058 1134 2HB TRP 57 2HB TRP 57 13.495 -11.840 4.692 1135 HD1 TRP 57 HD1 TRP 57 12.909 -13.185 6.762 1136 HE1 TRP 57 HE1 TRP 57 12.856 -15.687 7.384 1137 HE3 TRP 57 HE3 TRP 57 14.870 -15.195 2.498 1138 HZ2 TRP 57 HZ2 TRP 57 13.554 -18.210 6.224 1139 HZ3 TRP 57 HZ3 TRP 57 15.164 -17.646 2.280 1140 HH2 TRP 57 HH2 TRP 57 14.509 -19.155 4.136 1141 H GLN 58 H GLN 58 11.330 -11.992 4.139 1142 HA GLN 58 HA GLN 58 9.736 -14.310 4.293 1143 1HB GLN 58 1HB GLN 58 9.614 -12.044 5.500 1144 2HB GLN 58 2HB GLN 58 8.692 -11.479 4.106 1145 1HG GLN 58 1HG GLN 58 6.998 -13.175 4.463 1146 2HG GLN 58 2HG GLN 58 7.955 -13.922 5.743 1147 1HE2 GLN 58 1HE2 GLN 58 6.551 -10.688 4.938 1148 2HE2 GLN 58 2HE2 GLN 58 6.132 -10.314 6.540 1149 H ARG 59 H ARG 59 9.789 -11.802 1.754 1150 HA ARG 59 HA ARG 59 7.448 -12.591 0.343 1151 1HB ARG 59 1HB ARG 59 8.740 -10.527 -0.041 1152 2HB ARG 59 2HB ARG 59 10.093 -11.480 -0.651 1153 1HG ARG 59 1HG ARG 59 8.443 -12.433 -2.371 1154 2HG ARG 59 2HG ARG 59 7.357 -11.129 -1.887 1155 1HD ARG 59 1HD ARG 59 8.730 -10.476 -3.859 1156 2HD ARG 59 2HD ARG 59 9.121 -9.466 -2.452 1157 HE ARG 59 HE ARG 59 11.270 -10.434 -2.485 1158 1HH1 ARG 59 1HH2 ARG 59 9.230 -12.101 -4.637 1159 2HH1 ARG 59 2HH2 ARG 59 10.243 -13.501 -4.757 1160 1HH2 ARG 59 1HH1 ARG 59 12.473 -12.423 -2.331 1161 2HH2 ARG 59 2HH1 ARG 59 12.077 -13.684 -3.451 1162 H ASP 60 H ASP 60 10.801 -13.785 0.078 1163 HA ASP 60 HA ASP 60 10.434 -15.501 -2.165 1164 1HB ASP 60 1HB ASP 60 12.470 -14.707 -0.523 1165 2HB ASP 60 2HB ASP 60 12.254 -16.380 -0.003 1166 H GLN 61 H GLN 61 10.009 -16.121 1.327 1167 HA GLN 61 HA GLN 61 9.467 -18.928 1.104 1168 1HB GLN 61 1HB GLN 61 8.715 -16.782 3.107 1169 2HB GLN 61 2HB GLN 61 8.444 -18.504 3.386 1170 1HG GLN 61 1HG GLN 61 10.905 -18.872 2.942 1171 2HG GLN 61 2HG GLN 61 11.099 -17.119 2.938 1172 1HE2 GLN 61 1HE2 GLN 61 10.956 -15.997 4.977 1173 2HE2 GLN 61 2HE2 GLN 61 10.867 -16.816 6.461 1174 H PHE 62 H PHE 62 7.320 -16.080 1.046 1175 HA PHE 62 HA PHE 62 4.814 -17.382 1.114 1176 1HB PHE 62 1HB PHE 62 4.898 -15.015 1.258 1177 2HB PHE 62 2HB PHE 62 5.890 -14.880 -0.195 1178 HD1 PHE 62 HD1 PHE 62 2.495 -15.313 1.121 1179 HD2 PHE 62 HD2 PHE 62 4.902 -15.186 -2.437 1180 HE1 PHE 62 HE1 PHE 62 0.447 -15.066 -0.257 1181 HE2 PHE 62 HE2 PHE 62 2.852 -14.938 -3.814 1182 HZ PHE 62 HZ PHE 62 0.625 -14.877 -2.723 1183 H LEU 63 H LEU 63 6.890 -16.611 -1.689 1184 HA LEU 63 HA LEU 63 5.209 -17.658 -3.731 1185 1HB LEU 63 1HB LEU 63 8.190 -17.314 -3.374 1186 2HB LEU 63 2HB LEU 63 7.507 -17.916 -4.885 1187 HG LEU 63 HG LEU 63 6.285 -15.458 -3.728 1188 1HD1 LEU 63 1HD1 LEU 63 8.585 -14.915 -5.476 1189 2HD1 LEU 63 2HD1 LEU 63 9.035 -15.557 -3.897 1190 3HD1 LEU 63 3HD1 LEU 63 8.069 -14.086 -4.007 1191 1HD2 LEU 63 1HD2 LEU 63 7.133 -16.028 -6.569 1192 2HD2 LEU 63 2HD2 LEU 63 5.844 -14.967 -6.003 1193 3HD2 LEU 63 3HD2 LEU 63 5.654 -16.717 -5.901 1194 H SER 64 H SER 64 6.951 -19.305 -1.250 1195 HA SER 64 HA SER 64 7.081 -21.847 -2.775 1196 1HB SER 64 1HB SER 64 8.827 -22.184 -1.377 1197 2HB SER 64 2HB SER 64 8.546 -20.572 -0.726 1198 HG SER 64 HG SER 64 7.762 -21.454 1.009 1199 H GLN 65 H GLN 65 5.123 -20.236 -0.377 1200 HA GLN 65 HA GLN 65 3.756 -22.758 0.395 1201 1HB GLN 65 1HB GLN 65 3.120 -19.932 1.262 1202 2HB GLN 65 2HB GLN 65 2.846 -21.431 2.149 1203 1HG GLN 65 1HG GLN 65 5.559 -21.520 1.734 1204 2HG GLN 65 2HG GLN 65 5.284 -19.791 1.947 1205 1HE2 GLN 65 1HE2 GLN 65 6.473 -20.085 4.068 1206 2HE2 GLN 65 2HE2 GLN 65 5.616 -20.670 5.410 1207 H VAL 66 H VAL 66 3.301 -19.897 -1.581 1208 HA VAL 66 HA VAL 66 0.473 -20.704 -2.132 1209 HB VAL 66 HB VAL 66 2.035 -18.147 -2.632 1210 1HG1 VAL 66 1HG1 VAL 66 -0.718 -17.649 -2.758 1211 2HG1 VAL 66 2HG1 VAL 66 -0.494 -19.137 -3.679 1212 3HG1 VAL 66 3HG1 VAL 66 0.403 -17.684 -4.121 1213 1HG2 VAL 66 1HG2 VAL 66 0.276 -17.339 -0.903 1214 2HG2 VAL 66 2HG2 VAL 66 1.637 -18.288 -0.307 1215 3HG2 VAL 66 3HG2 VAL 66 0.063 -19.050 -0.535 1216 H LYS 67 H LYS 67 1.490 -22.501 -3.506 1217 HA LYS 67 HA LYS 67 3.045 -21.951 -5.837 1218 1HB LYS 67 1HB LYS 67 2.041 -24.182 -6.550 1219 2HB LYS 67 2HB LYS 67 2.802 -24.184 -4.958 1220 1HG LYS 67 1HG LYS 67 0.131 -23.367 -4.539 1221 2HG LYS 67 2HG LYS 67 0.053 -24.739 -5.646 1222 1HD LYS 67 1HD LYS 67 2.007 -25.239 -3.572 1223 2HD LYS 67 2HD LYS 67 0.446 -24.834 -2.856 1224 1HE LYS 67 1HE LYS 67 0.889 -26.951 -4.996 1225 2HE LYS 67 2HE LYS 67 0.589 -27.269 -3.276 1226 1HZ LYS 67 1HZ LYS 67 -1.296 -26.709 -5.274 1227 2HZ LYS 67 2HZ LYS 67 -1.304 -25.411 -4.177 1228 3HZ LYS 67 3HZ LYS 67 -1.572 -26.995 -3.626 1229 H ILE 68 H ILE 68 2.306 -20.342 -7.215 1230 HA ILE 68 HA ILE 68 -0.563 -20.167 -7.912 1231 HB ILE 68 HB ILE 68 1.630 -18.569 -9.201 1232 1HG1 ILE 68 1HG1 ILE 68 1.023 -17.118 -6.942 1233 2HG1 ILE 68 2HG1 ILE 68 1.086 -18.763 -6.311 1234 1HG2 ILE 68 1HG2 ILE 68 -0.637 -18.073 -9.863 1235 2HG2 ILE 68 2HG2 ILE 68 -0.098 -16.764 -8.811 1236 3HG2 ILE 68 3HG2 ILE 68 -1.169 -18.015 -8.183 1237 1HD1 ILE 68 1HD1 ILE 68 3.268 -18.323 -8.155 1238 2HD1 ILE 68 2HD1 ILE 68 3.332 -18.792 -6.455 1239 3HD1 ILE 68 3HD1 ILE 68 3.276 -17.086 -6.898 1240 HA PRO 69 HA PRO 69 -0.188 -22.867 -11.368 1241 1HB PRO 69 1HB PRO 69 -2.142 -21.800 -12.965 1242 2HB PRO 69 2HB PRO 69 -2.490 -22.845 -11.572 1243 1HG PRO 69 1HG PRO 69 -2.610 -19.879 -11.788 1244 2HG PRO 69 2HG PRO 69 -3.704 -20.996 -10.956 1245 1HD PRO 69 1HD PRO 69 -1.827 -19.532 -9.660 1246 2HD PRO 69 2HD PRO 69 -2.373 -21.126 -9.094 1247 H LYS 70 H LYS 70 -0.607 -22.048 -14.035 1248 HA LYS 70 HA LYS 70 1.809 -20.379 -14.464 1249 1HB LYS 70 1HB LYS 70 1.611 -22.539 -15.575 1250 2HB LYS 70 2HB LYS 70 0.044 -22.088 -16.243 1251 1HG LYS 70 1HG LYS 70 1.062 -20.339 -17.589 1252 2HG LYS 70 2HG LYS 70 2.634 -20.631 -16.841 1253 1HD LYS 70 1HD LYS 70 2.212 -23.105 -17.687 1254 2HD LYS 70 2HD LYS 70 1.145 -22.297 -18.837 1255 1HE LYS 70 1HE LYS 70 3.879 -21.140 -18.449 1256 2HE LYS 70 2HE LYS 70 3.734 -22.637 -19.393 1257 1HZ LYS 70 1HZ LYS 70 3.413 -20.710 -20.815 1258 2HZ LYS 70 2HZ LYS 70 2.159 -20.150 -19.815 1259 3HZ LYS 70 3HZ LYS 70 1.970 -21.593 -20.691 1260 H THR 71 H THR 71 -1.415 -19.727 -14.098 1261 HA THR 71 HA THR 71 -1.763 -17.900 -16.380 1262 HB THR 71 HB THR 71 -3.970 -17.722 -15.558 1263 HG1 THR 71 HG1 THR 71 -2.979 -18.571 -13.042 1264 1HG2 THR 71 1HG2 THR 71 -3.125 -20.114 -16.091 1265 2HG2 THR 71 2HG2 THR 71 -4.659 -19.953 -15.235 1266 3HG2 THR 71 3HG2 THR 71 -3.193 -20.371 -14.349 1267 H ILE 72 H ILE 72 -0.835 -17.682 -12.987 1268 HA ILE 72 HA ILE 72 -1.032 -14.721 -13.013 1269 HB ILE 72 HB ILE 72 -0.010 -16.534 -10.824 1270 1HG1 ILE 72 1HG1 ILE 72 -2.122 -17.493 -11.542 1271 2HG1 ILE 72 2HG1 ILE 72 -2.408 -16.598 -10.048 1272 1HG2 ILE 72 1HG2 ILE 72 0.171 -14.018 -10.640 1273 2HG2 ILE 72 2HG2 ILE 72 -0.783 -14.777 -9.365 1274 3HG2 ILE 72 3HG2 ILE 72 -1.591 -13.954 -10.700 1275 1HD1 ILE 72 1HD1 ILE 72 -4.133 -16.142 -11.806 1276 2HD1 ILE 72 2HD1 ILE 72 -2.860 -15.470 -12.826 1277 3HD1 ILE 72 3HD1 ILE 72 -3.266 -14.694 -11.295 1278 H THR 73 H THR 73 0.720 -13.491 -13.578 1279 HA THR 73 HA THR 73 3.406 -14.756 -13.717 1280 HB THR 73 HB THR 73 2.239 -13.419 -15.578 1281 HG1 THR 73 HG1 THR 73 4.726 -12.394 -14.695 1282 1HG2 THR 73 1HG2 THR 73 2.466 -10.952 -15.375 1283 2HG2 THR 73 2HG2 THR 73 2.987 -11.159 -13.703 1284 3HG2 THR 73 3HG2 THR 73 1.353 -11.620 -14.181 1285 H VAL 74 H VAL 74 5.075 -14.111 -12.334 1286 HA VAL 74 HA VAL 74 4.333 -12.408 -10.041 1287 HB VAL 74 HB VAL 74 6.990 -13.733 -10.598 1288 1HG1 VAL 74 1HG1 VAL 74 6.534 -14.142 -8.012 1289 2HG1 VAL 74 2HG1 VAL 74 5.457 -12.761 -8.215 1290 3HG1 VAL 74 3HG1 VAL 74 7.175 -12.602 -8.583 1291 1HG2 VAL 74 1HG2 VAL 74 4.329 -14.964 -10.179 1292 2HG2 VAL 74 2HG2 VAL 74 5.609 -15.579 -9.133 1293 3HG2 VAL 74 3HG2 VAL 74 5.790 -15.654 -10.887 1294 H SER 75 H SER 75 5.938 -10.766 -9.277 1295 HA SER 75 HA SER 75 7.504 -9.446 -11.452 1296 1HB SER 75 1HB SER 75 4.946 -8.650 -10.485 1297 2HB SER 75 2HB SER 75 6.113 -7.470 -9.903 1298 HG SER 75 HG SER 75 5.158 -7.868 -12.395 1299 H THR 76 H THR 76 9.148 -7.989 -10.613 1300 HA THR 76 HA THR 76 9.603 -8.162 -7.655 1301 HB THR 76 HB THR 76 12.073 -8.399 -8.377 1302 HG1 THR 76 HG1 THR 76 12.102 -9.504 -10.501 1303 1HG2 THR 76 1HG2 THR 76 11.688 -10.890 -8.902 1304 2HG2 THR 76 2HG2 THR 76 9.968 -10.526 -8.765 1305 3HG2 THR 76 3HG2 THR 76 11.034 -10.283 -7.382 1306 H GLY 77 H GLY 77 10.160 -6.190 -6.762 1307 1HA GLY 77 1HA GLY 77 11.534 -4.141 -8.322 1308 2HA GLY 77 2HA GLY 77 9.850 -3.742 -7.983 1309 H PHE 78 H PHE 78 11.086 -1.925 -6.787 1310 HA PHE 78 HA PHE 78 11.308 -2.726 -3.930 1311 1HB PHE 78 1HB PHE 78 13.519 -2.488 -5.562 1312 2HB PHE 78 2HB PHE 78 13.411 -0.877 -4.852 1313 HD1 PHE 78 HD1 PHE 78 15.161 -0.859 -3.262 1314 HD2 PHE 78 HD2 PHE 78 12.386 -4.138 -3.347 1315 HE1 PHE 78 HE1 PHE 78 16.121 -1.725 -1.145 1316 HE2 PHE 78 HE2 PHE 78 13.346 -5.004 -1.229 1317 HZ PHE 78 HZ PHE 78 15.213 -3.796 -0.128 1318 H MET 79 H MET 79 10.868 -0.955 -2.502 1319 HA MET 79 HA MET 79 9.902 1.545 -3.861 1320 1HB MET 79 1HB MET 79 8.807 -0.190 -1.655 1321 2HB MET 79 2HB MET 79 8.342 1.509 -1.755 1322 1HG MET 79 1HG MET 79 7.748 1.065 -4.198 1323 2HG MET 79 2HG MET 79 7.916 -0.651 -3.828 1324 1HE MET 79 1HE MET 79 6.104 2.700 -2.814 1325 2HE MET 79 2HE MET 79 5.669 2.008 -4.375 1326 3HE MET 79 3HE MET 79 4.469 2.101 -3.079 1327 H SER 80 H SER 80 10.118 3.512 -2.557 1328 HA SER 80 HA SER 80 11.926 3.328 -0.194 1329 1HB SER 80 1HB SER 80 12.705 3.995 -2.847 1330 2HB SER 80 2HB SER 80 12.726 5.493 -1.923 1331 HG SER 80 HG SER 80 14.183 4.635 -0.548 1332 H ILE 81 H ILE 81 10.697 4.387 1.325 1333 HA ILE 81 HA ILE 81 9.766 7.142 0.719 1334 HB ILE 81 HB ILE 81 8.037 4.782 1.499 1335 1HG1 ILE 81 1HG1 ILE 81 6.738 6.181 -0.449 1336 2HG1 ILE 81 2HG1 ILE 81 8.417 6.499 -0.883 1337 1HG2 ILE 81 1HG2 ILE 81 6.531 7.199 1.244 1338 2HG2 ILE 81 2HG2 ILE 81 7.827 7.483 2.405 1339 3HG2 ILE 81 3HG2 ILE 81 6.689 6.159 2.659 1340 1HD1 ILE 81 1HD1 ILE 81 8.547 3.835 -0.354 1341 2HD1 ILE 81 2HD1 ILE 81 8.244 4.493 -1.962 1342 3HD1 ILE 81 3HD1 ILE 81 6.894 3.958 -0.959 Start of MODEL 16 1 1H MET 1 1H MET 1 16.057 0.987 -12.962 2 2H MET 1 2H MET 1 15.431 1.123 -14.536 3 3H MET 1 3H MET 1 15.841 -0.403 -13.909 4 HA MET 1 HA MET 1 13.692 -0.607 -13.348 5 1HB MET 1 1HB MET 1 14.729 1.510 -11.441 6 2HB MET 1 2HB MET 1 13.216 0.639 -11.189 7 1HG MET 1 1HG MET 1 14.288 -1.225 -10.487 8 2HG MET 1 2HG MET 1 15.453 -1.145 -11.809 9 1HE MET 1 1HE MET 1 15.840 -0.987 -7.753 10 2HE MET 1 2HE MET 1 15.220 0.662 -7.790 11 3HE MET 1 3HE MET 1 14.328 -0.641 -8.586 12 H THR 2 H THR 2 11.711 1.068 -12.436 13 HA THR 2 HA THR 2 11.501 3.173 -14.567 14 HB THR 2 HB THR 2 9.039 2.508 -14.529 15 HG1 THR 2 HG1 THR 2 9.716 1.254 -12.423 16 1HG2 THR 2 1HG2 THR 2 10.628 1.730 -16.271 17 2HG2 THR 2 2HG2 THR 2 9.394 0.522 -15.914 18 3HG2 THR 2 3HG2 THR 2 11.023 0.338 -15.263 19 HA PRO 3 HA PRO 3 11.198 5.601 -10.782 20 1HB PRO 3 1HB PRO 3 10.527 7.937 -12.042 21 2HB PRO 3 2HB PRO 3 12.198 7.354 -11.912 22 1HG PRO 3 1HG PRO 3 10.308 7.186 -14.204 23 2HG PRO 3 2HG PRO 3 12.048 7.514 -14.197 24 1HD PRO 3 1HD PRO 3 10.996 5.092 -14.837 25 2HD PRO 3 2HD PRO 3 12.603 5.294 -14.106 26 H ILE 4 H ILE 4 9.360 6.364 -9.619 27 HA ILE 4 HA ILE 4 6.724 6.323 -11.021 28 HB ILE 4 HB ILE 4 5.946 4.901 -9.012 29 1HG1 ILE 4 1HG1 ILE 4 8.624 3.744 -8.759 30 2HG1 ILE 4 2HG1 ILE 4 8.547 5.402 -8.164 31 1HG2 ILE 4 1HG2 ILE 4 5.984 3.745 -11.039 32 2HG2 ILE 4 2HG2 ILE 4 7.135 2.811 -10.084 33 3HG2 ILE 4 3HG2 ILE 4 7.716 3.990 -11.261 34 1HD1 ILE 4 1HD1 ILE 4 6.259 3.720 -7.371 35 2HD1 ILE 4 2HD1 ILE 4 7.221 4.838 -6.405 36 3HD1 ILE 4 3HD1 ILE 4 7.807 3.202 -6.706 37 H VAL 5 H VAL 5 4.970 7.009 -9.303 38 HA VAL 5 HA VAL 5 6.067 8.903 -7.279 39 HB VAL 5 HB VAL 5 4.256 9.561 -9.623 40 1HG1 VAL 5 1HG1 VAL 5 3.932 10.588 -7.119 41 2HG1 VAL 5 2HG1 VAL 5 3.579 11.483 -8.597 42 3HG1 VAL 5 3HG1 VAL 5 5.126 11.706 -7.777 43 1HG2 VAL 5 1HG2 VAL 5 6.204 11.407 -9.664 44 2HG2 VAL 5 2HG2 VAL 5 6.385 9.843 -10.458 45 3HG2 VAL 5 3HG2 VAL 5 7.089 10.109 -8.863 46 H HIS 6 H HIS 6 4.940 8.471 -5.422 47 HA HIS 6 HA HIS 6 2.178 7.345 -5.647 48 1HB HIS 6 1HB HIS 6 4.536 6.861 -4.045 49 2HB HIS 6 2HB HIS 6 3.170 7.241 -2.997 50 HD1 HIS 6 HD1 HIS 6 2.966 4.751 -2.229 51 HD2 HIS 6 HD2 HIS 6 2.447 5.306 -6.329 52 HE1 HIS 6 HE1 HIS 6 2.001 2.589 -3.129 53 H LEU 7 H LEU 7 0.503 8.694 -5.127 54 HA LEU 7 HA LEU 7 1.103 11.106 -3.444 55 1HB LEU 7 1HB LEU 7 -0.977 10.654 -5.612 56 2HB LEU 7 2HB LEU 7 -0.706 12.170 -4.750 57 HG LEU 7 HG LEU 7 1.824 11.562 -5.634 58 1HD1 LEU 7 1HD1 LEU 7 0.677 9.680 -6.964 59 2HD1 LEU 7 2HD1 LEU 7 1.729 10.766 -7.872 60 3HD1 LEU 7 3HD1 LEU 7 -0.022 10.963 -7.950 61 1HD2 LEU 7 1HD2 LEU 7 1.029 13.767 -5.856 62 2HD2 LEU 7 2HD2 LEU 7 -0.411 13.258 -6.736 63 3HD2 LEU 7 3HD2 LEU 7 1.163 13.230 -7.530 64 H LYS 8 H LYS 8 -0.259 11.468 -1.672 65 HA LYS 8 HA LYS 8 -2.611 9.643 -1.331 66 1HB LYS 8 1HB LYS 8 -0.819 8.584 -0.170 67 2HB LYS 8 2HB LYS 8 -0.218 10.117 0.457 68 1HG LYS 8 1HG LYS 8 -1.343 9.080 2.282 69 2HG LYS 8 2HG LYS 8 -2.450 10.319 1.695 70 1HD LYS 8 1HD LYS 8 -3.701 8.649 0.423 71 2HD LYS 8 2HD LYS 8 -2.552 7.396 0.898 72 1HE LYS 8 1HE LYS 8 -4.289 7.095 2.465 73 2HE LYS 8 2HE LYS 8 -3.179 8.160 3.351 74 1HZ LYS 8 1HZ LYS 8 -5.498 8.988 3.316 75 2HZ LYS 8 2HZ LYS 8 -5.397 9.120 1.625 76 3HZ LYS 8 3HZ LYS 8 -4.394 10.067 2.616 77 H GLY 9 H GLY 9 -4.137 10.453 0.318 78 1HA GLY 9 1HA GLY 9 -4.109 12.700 1.868 79 2HA GLY 9 2HA GLY 9 -4.331 13.382 0.257 80 H ASP 10 H ASP 10 -6.466 14.112 0.963 81 HA ASP 10 HA ASP 10 -8.521 12.344 1.902 82 1HB ASP 10 1HB ASP 10 -8.298 14.938 1.845 83 2HB ASP 10 2HB ASP 10 -8.970 14.806 0.219 84 H ALA 11 H ALA 11 -9.577 10.767 0.773 85 HA ALA 11 HA ALA 11 -9.103 9.987 -1.871 86 1HB ALA 11 1HB ALA 11 -10.271 8.442 -0.607 87 2HB ALA 11 2HB ALA 11 -11.293 9.672 0.137 88 3HB ALA 11 3HB ALA 11 -11.619 9.132 -1.511 89 H ASN 12 H ASN 12 -11.452 12.371 -0.670 90 HA ASN 12 HA ASN 12 -12.839 12.746 -3.171 91 1HB ASN 12 1HB ASN 12 -12.684 13.906 -0.478 92 2HB ASN 12 2HB ASN 12 -13.072 15.093 -1.724 93 1HD2 ASN 12 1HD2 ASN 12 -14.988 14.199 0.269 94 2HD2 ASN 12 2HD2 ASN 12 -16.230 13.381 -0.549 95 H THR 13 H THR 13 -10.207 14.593 -1.587 96 HA THR 13 HA THR 13 -9.912 16.622 -3.542 97 HB THR 13 HB THR 13 -7.899 15.224 -1.753 98 HG1 THR 13 HG1 THR 13 -9.742 17.306 -1.468 99 1HG2 THR 13 1HG2 THR 13 -7.742 17.879 -3.206 100 2HG2 THR 13 2HG2 THR 13 -6.746 16.458 -3.519 101 3HG2 THR 13 3HG2 THR 13 -6.589 17.325 -1.992 102 H LEU 14 H LEU 14 -8.972 13.254 -3.615 103 HA LEU 14 HA LEU 14 -6.961 13.433 -5.673 104 1HB LEU 14 1HB LEU 14 -8.802 11.256 -4.651 105 2HB LEU 14 2HB LEU 14 -7.548 10.955 -5.854 106 HG LEU 14 HG LEU 14 -6.922 12.310 -3.230 107 1HD1 LEU 14 1HD1 LEU 14 -7.182 10.372 -2.119 108 2HD1 LEU 14 2HD1 LEU 14 -6.071 9.580 -3.237 109 3HD1 LEU 14 3HD1 LEU 14 -7.798 9.613 -3.587 110 1HD2 LEU 14 1HD2 LEU 14 -5.105 12.564 -4.677 111 2HD2 LEU 14 2HD2 LEU 14 -5.397 11.021 -5.477 112 3HD2 LEU 14 3HD2 LEU 14 -4.693 11.057 -3.861 113 H LYS 15 H LYS 15 -10.487 13.148 -5.725 114 HA LYS 15 HA LYS 15 -10.859 12.386 -8.439 115 1HB LYS 15 1HB LYS 15 -12.470 12.691 -6.397 116 2HB LYS 15 2HB LYS 15 -12.625 14.347 -6.986 117 1HG LYS 15 1HG LYS 15 -13.324 13.511 -9.192 118 2HG LYS 15 2HG LYS 15 -13.145 11.850 -8.628 119 1HD LYS 15 1HD LYS 15 -14.936 13.801 -7.184 120 2HD LYS 15 2HD LYS 15 -15.520 12.879 -8.571 121 1HE LYS 15 1HE LYS 15 -14.807 10.768 -7.405 122 2HE LYS 15 2HE LYS 15 -14.411 11.747 -5.978 123 1HZ LYS 15 1HZ LYS 15 -17.031 11.259 -7.223 124 2HZ LYS 15 2HZ LYS 15 -16.766 12.724 -6.405 125 3HZ LYS 15 3HZ LYS 15 -16.607 11.247 -5.581 126 H CYS 16 H CYS 16 -10.358 15.599 -6.982 127 HA CYS 16 HA CYS 16 -10.824 17.100 -9.406 128 1HB CYS 16 1HB CYS 16 -10.784 17.780 -6.893 129 2HB CYS 16 2HB CYS 16 -9.041 17.927 -7.118 130 HG CYS 16 HG CYS 16 -9.643 19.640 -9.133 131 H LEU 17 H LEU 17 -7.920 15.698 -7.906 132 HA LEU 17 HA LEU 17 -5.936 16.924 -9.523 133 1HB LEU 17 1HB LEU 17 -6.140 14.171 -8.258 134 2HB LEU 17 2HB LEU 17 -4.642 14.854 -8.891 135 HG LEU 17 HG LEU 17 -6.286 16.379 -6.880 136 1HD1 LEU 17 1HD1 LEU 17 -5.147 13.838 -6.402 137 2HD1 LEU 17 2HD1 LEU 17 -5.728 14.987 -5.197 138 3HD1 LEU 17 3HD1 LEU 17 -4.036 15.008 -5.690 139 1HD2 LEU 17 1HD2 LEU 17 -3.805 17.051 -6.331 140 2HD2 LEU 17 2HD2 LEU 17 -4.591 17.738 -7.752 141 3HD2 LEU 17 3HD2 LEU 17 -3.468 16.390 -7.932 142 H ARG 18 H ARG 18 -7.601 13.785 -10.022 143 HA ARG 18 HA ARG 18 -6.441 12.930 -12.397 144 1HB ARG 18 1HB ARG 18 -8.202 11.785 -11.063 145 2HB ARG 18 2HB ARG 18 -9.389 12.938 -11.674 146 1HG ARG 18 1HG ARG 18 -8.570 12.192 -14.027 147 2HG ARG 18 2HG ARG 18 -7.903 10.796 -13.180 148 1HD ARG 18 1HD ARG 18 -10.814 11.673 -13.200 149 2HD ARG 18 2HD ARG 18 -10.140 10.200 -13.925 150 HE ARG 18 HE ARG 18 -9.621 10.569 -11.042 151 1HH1 ARG 18 1HH1 ARG 18 -12.534 10.177 -11.264 152 2HH1 ARG 18 2HH1 ARG 18 -12.695 8.453 -11.284 153 1HH2 ARG 18 1HH2 ARG 18 -9.366 7.882 -12.061 154 2HH2 ARG 18 2HH2 ARG 18 -10.903 7.154 -11.735 155 H TYR 19 H TYR 19 -8.629 15.646 -11.952 156 HA TYR 19 HA TYR 19 -9.457 15.994 -14.672 157 1HB TYR 19 1HB TYR 19 -10.474 17.034 -12.661 158 2HB TYR 19 2HB TYR 19 -9.023 18.015 -12.450 159 HD1 TYR 19 HD1 TYR 19 -12.239 17.872 -13.942 160 HD2 TYR 19 HD2 TYR 19 -8.276 19.417 -14.554 161 HE1 TYR 19 HE1 TYR 19 -13.138 19.545 -15.539 162 HE2 TYR 19 HE2 TYR 19 -9.175 21.088 -16.151 163 HH TYR 19 HH TYR 19 -11.846 20.919 -17.680 164 H ARG 20 H ARG 20 -6.669 17.317 -12.861 165 HA ARG 20 HA ARG 20 -5.701 18.930 -15.064 166 1HB ARG 20 1HB ARG 20 -4.679 17.938 -12.415 167 2HB ARG 20 2HB ARG 20 -3.577 18.757 -13.523 168 1HG ARG 20 1HG ARG 20 -4.917 20.742 -13.535 169 2HG ARG 20 2HG ARG 20 -6.249 19.926 -12.716 170 1HD ARG 20 1HD ARG 20 -4.606 19.540 -10.768 171 2HD ARG 20 2HD ARG 20 -3.574 20.746 -11.563 172 HE ARG 20 HE ARG 20 -6.232 21.770 -11.476 173 1HH1 ARG 20 1HH2 ARG 20 -5.698 20.436 -8.714 174 2HH1 ARG 20 2HH2 ARG 20 -5.179 21.819 -7.809 175 1HH2 ARG 20 1HH1 ARG 20 -4.656 23.789 -10.615 176 2HH2 ARG 20 2HH1 ARG 20 -4.588 23.719 -8.885 177 H PHE 21 H PHE 21 -5.379 15.563 -14.197 178 HA PHE 21 HA PHE 21 -2.928 14.973 -15.581 179 1HB PHE 21 1HB PHE 21 -5.384 13.305 -14.943 180 2HB PHE 21 2HB PHE 21 -3.825 12.645 -15.438 181 HD1 PHE 21 HD1 PHE 21 -2.840 15.418 -13.718 182 HD2 PHE 21 HD2 PHE 21 -4.725 11.630 -12.960 183 HE1 PHE 21 HE1 PHE 21 -2.060 15.500 -11.366 184 HE2 PHE 21 HE2 PHE 21 -3.943 11.715 -10.608 185 HZ PHE 21 HZ PHE 21 -2.611 13.649 -9.810 186 H LYS 22 H LYS 22 -5.980 15.916 -16.762 187 HA LYS 22 HA LYS 22 -6.214 14.367 -19.155 188 1HB LYS 22 1HB LYS 22 -7.090 17.136 -18.301 189 2HB LYS 22 2HB LYS 22 -7.568 16.434 -19.848 190 1HG LYS 22 1HG LYS 22 -7.945 14.665 -17.509 191 2HG LYS 22 2HG LYS 22 -8.971 16.099 -17.531 192 1HD LYS 22 1HD LYS 22 -9.223 15.336 -20.110 193 2HD LYS 22 2HD LYS 22 -8.948 13.761 -19.363 194 1HE LYS 22 1HE LYS 22 -10.746 14.747 -17.606 195 2HE LYS 22 2HE LYS 22 -11.266 15.608 -19.068 196 1HZ LYS 22 1HZ LYS 22 -10.660 13.082 -19.927 197 2HZ LYS 22 2HZ LYS 22 -12.221 13.709 -19.688 198 3HZ LYS 22 3HZ LYS 22 -11.461 12.822 -18.456 199 H LYS 23 H LYS 23 -4.789 17.626 -18.657 200 HA LYS 23 HA LYS 23 -3.779 17.787 -21.380 201 1HB LYS 23 1HB LYS 23 -3.237 19.324 -18.820 202 2HB LYS 23 2HB LYS 23 -2.640 19.814 -20.407 203 1HG LYS 23 1HG LYS 23 -5.557 19.225 -20.143 204 2HG LYS 23 2HG LYS 23 -4.957 20.733 -19.451 205 1HD LYS 23 1HD LYS 23 -4.326 21.591 -21.511 206 2HD LYS 23 2HD LYS 23 -4.096 19.993 -22.222 207 1HE LYS 23 1HE LYS 23 -6.146 21.199 -23.085 208 2HE LYS 23 2HE LYS 23 -6.520 19.644 -22.315 209 1HZ LYS 23 1HZ LYS 23 -7.861 21.635 -21.537 210 2HZ LYS 23 2HZ LYS 23 -6.437 22.177 -20.785 211 3HZ LYS 23 3HZ LYS 23 -7.131 20.695 -20.329 212 H HIS 24 H HIS 24 -2.666 16.259 -18.504 213 HA HIS 24 HA HIS 24 0.180 16.314 -19.351 214 1HB HIS 24 1HB HIS 24 -1.210 15.043 -16.970 215 2HB HIS 24 2HB HIS 24 0.528 15.277 -17.156 216 HD1 HIS 24 HD1 HIS 24 1.137 17.107 -15.568 217 HD2 HIS 24 HD2 HIS 24 -2.354 17.990 -17.670 218 HE1 HIS 24 HE1 HIS 24 0.479 19.463 -14.910 219 H CYS 25 H CYS 25 -2.174 14.748 -20.679 220 HA CYS 25 HA CYS 25 -1.878 11.963 -20.268 221 1HB CYS 25 1HB CYS 25 -2.767 11.855 -22.607 222 2HB CYS 25 2HB CYS 25 -3.643 13.011 -21.605 223 HG CYS 25 HG CYS 25 -3.065 14.295 -23.775 224 H THR 26 H THR 26 0.214 14.253 -21.884 225 HA THR 26 HA THR 26 1.828 12.079 -23.116 226 HB THR 26 HB THR 26 1.277 14.011 -24.481 227 HG1 THR 26 HG1 THR 26 3.941 14.303 -23.562 228 1HG2 THR 26 1HG2 THR 26 0.866 15.930 -23.368 229 2HG2 THR 26 2HG2 THR 26 2.613 16.171 -23.350 230 3HG2 THR 26 3HG2 THR 26 1.814 15.409 -21.975 231 H LEU 27 H LEU 27 1.635 13.457 -20.130 232 HA LEU 27 HA LEU 27 4.539 13.839 -19.694 233 1HB LEU 27 1HB LEU 27 2.108 14.048 -17.890 234 2HB LEU 27 2HB LEU 27 3.742 14.542 -17.447 235 HG LEU 27 HG LEU 27 1.971 15.726 -19.595 236 1HD1 LEU 27 1HD1 LEU 27 3.255 17.642 -17.936 237 2HD1 LEU 27 2HD1 LEU 27 2.625 16.383 -16.874 238 3HD1 LEU 27 3HD1 LEU 27 1.541 17.229 -17.978 239 1HD2 LEU 27 1HD2 LEU 27 3.987 17.223 -20.015 240 2HD2 LEU 27 2HD2 LEU 27 4.154 15.565 -20.592 241 3HD2 LEU 27 3HD2 LEU 27 4.941 16.061 -19.094 242 H TYR 28 H TYR 28 1.963 11.518 -18.904 243 HA TYR 28 HA TYR 28 4.025 9.813 -17.549 244 1HB TYR 28 1HB TYR 28 2.109 8.924 -16.276 245 2HB TYR 28 2HB TYR 28 2.171 10.680 -16.132 246 HD1 TYR 28 HD1 TYR 28 0.481 12.090 -17.134 247 HD2 TYR 28 HD2 TYR 28 0.440 7.837 -17.752 248 HE1 TYR 28 HE1 TYR 28 -1.809 12.249 -18.074 249 HE2 TYR 28 HE2 TYR 28 -1.851 7.996 -18.692 250 HH TYR 28 HH TYR 28 -3.870 10.282 -18.233 251 H THR 29 H THR 29 3.521 7.405 -17.823 252 HA THR 29 HA THR 29 2.747 6.896 -20.655 253 HB THR 29 HB THR 29 4.418 5.549 -18.545 254 HG1 THR 29 HG1 THR 29 5.824 5.530 -20.451 255 1HG2 THR 29 1HG2 THR 29 3.041 4.276 -20.883 256 2HG2 THR 29 2HG2 THR 29 3.364 3.614 -19.281 257 3HG2 THR 29 3HG2 THR 29 4.668 3.745 -20.460 258 H ALA 30 H ALA 30 1.870 6.052 -17.330 259 HA ALA 30 HA ALA 30 -0.718 5.015 -18.274 260 1HB ALA 30 1HB ALA 30 -0.125 2.839 -18.261 261 2HB ALA 30 2HB ALA 30 1.538 3.320 -17.924 262 3HB ALA 30 3HB ALA 30 0.430 2.983 -16.593 263 H VAL 31 H VAL 31 -2.085 5.981 -16.819 264 HA VAL 31 HA VAL 31 -1.163 6.581 -14.075 265 HB VAL 31 HB VAL 31 -2.381 8.279 -15.286 266 1HG1 VAL 31 1HG1 VAL 31 -4.953 7.387 -15.696 267 2HG1 VAL 31 2HG1 VAL 31 -4.002 5.956 -16.091 268 3HG1 VAL 31 3HG1 VAL 31 -3.709 7.473 -16.942 269 1HG2 VAL 31 1HG2 VAL 31 -2.993 7.660 -12.802 270 2HG2 VAL 31 2HG2 VAL 31 -4.524 7.144 -13.509 271 3HG2 VAL 31 3HG2 VAL 31 -3.994 8.817 -13.680 272 H SER 32 H SER 32 -1.353 4.961 -12.579 273 HA SER 32 HA SER 32 -3.054 2.655 -12.883 274 1HB SER 32 1HB SER 32 -2.272 2.205 -10.581 275 2HB SER 32 2HB SER 32 -0.942 2.748 -11.598 276 HG SER 32 HG SER 32 -0.960 4.680 -10.611 277 H SER 33 H SER 33 -5.081 2.229 -11.962 278 HA SER 33 HA SER 33 -6.884 4.383 -11.462 279 1HB SER 33 1HB SER 33 -8.415 2.656 -11.258 280 2HB SER 33 2HB SER 33 -7.099 1.779 -12.034 281 HG SER 33 HG SER 33 -8.163 1.051 -9.884 282 H THR 34 H THR 34 -7.995 4.831 -9.368 283 HA THR 34 HA THR 34 -6.140 5.320 -7.217 284 HB THR 34 HB THR 34 -9.176 5.305 -7.318 285 HG1 THR 34 HG1 THR 34 -8.604 7.664 -7.506 286 1HG2 THR 34 1HG2 THR 34 -8.218 5.314 -5.020 287 2HG2 THR 34 2HG2 THR 34 -9.046 6.822 -5.410 288 3HG2 THR 34 3HG2 THR 34 -7.284 6.749 -5.443 289 H TRP 35 H TRP 35 -5.652 4.031 -5.453 290 HA TRP 35 HA TRP 35 -7.440 1.749 -4.777 291 1HB TRP 35 1HB TRP 35 -5.582 0.181 -4.945 292 2HB TRP 35 2HB TRP 35 -5.720 1.047 -6.475 293 HD1 TRP 35 HD1 TRP 35 -3.967 3.087 -6.876 294 HE1 TRP 35 HE1 TRP 35 -1.553 3.389 -6.023 295 HE3 TRP 35 HE3 TRP 35 -3.954 -0.295 -3.048 296 HZ2 TRP 35 HZ2 TRP 35 0.157 2.337 -3.986 297 HZ3 TRP 35 HZ3 TRP 35 -1.921 -0.625 -1.668 298 HH2 TRP 35 HH2 TRP 35 0.133 0.686 -2.132 299 H HIS 36 H HIS 36 -6.261 0.589 -2.744 300 HA HIS 36 HA HIS 36 -4.721 2.429 -1.053 301 1HB HIS 36 1HB HIS 36 -6.824 3.469 -0.748 302 2HB HIS 36 2HB HIS 36 -7.681 1.930 -0.746 303 HD1 HIS 36 HD1 HIS 36 -5.165 3.832 1.392 304 HD2 HIS 36 HD2 HIS 36 -8.100 0.899 1.794 305 HE1 HIS 36 HE1 HIS 36 -5.377 3.364 3.873 306 H TRP 37 H TRP 37 -4.592 1.413 1.255 307 HA TRP 37 HA TRP 37 -3.842 -1.396 0.953 308 1HB TRP 37 1HB TRP 37 -3.921 0.565 3.266 309 2HB TRP 37 2HB TRP 37 -3.249 -1.061 3.394 310 HD1 TRP 37 HD1 TRP 37 -2.260 2.362 2.614 311 HE1 TRP 37 HE1 TRP 37 0.028 2.427 1.431 312 HE3 TRP 37 HE3 TRP 37 -1.763 -2.570 1.387 313 HZ2 TRP 37 HZ2 TRP 37 1.833 0.624 0.134 314 HZ3 TRP 37 HZ3 TRP 37 0.249 -3.369 0.180 315 HH2 TRP 37 HH2 TRP 37 2.046 -1.779 -0.447 316 H THR 38 H THR 38 -5.585 -2.798 0.806 317 HA THR 38 HA THR 38 -7.518 -2.796 3.087 318 HB THR 38 HB THR 38 -8.083 -2.942 0.109 319 HG1 THR 38 HG1 THR 38 -8.834 -1.146 2.172 320 1HG2 THR 38 1HG2 THR 38 -9.450 -4.254 2.184 321 2HG2 THR 38 2HG2 THR 38 -10.033 -3.975 0.543 322 3HG2 THR 38 3HG2 THR 38 -10.414 -2.823 1.824 323 H GLY 39 H GLY 39 -8.303 -4.923 3.602 324 1HA GLY 39 1HA GLY 39 -7.584 -7.223 1.965 325 2HA GLY 39 2HA GLY 39 -6.599 -7.091 3.423 326 H HIS 40 H HIS 40 -8.322 -9.272 3.038 327 HA HIS 40 HA HIS 40 -10.024 -10.471 4.155 328 1HB HIS 40 1HB HIS 40 -9.580 -8.257 6.185 329 2HB HIS 40 2HB HIS 40 -10.218 -9.868 6.512 330 HD1 HIS 40 HD1 HIS 40 -7.425 -8.494 7.553 331 HD2 HIS 40 HD2 HIS 40 -7.876 -11.500 4.701 332 HE1 HIS 40 HE1 HIS 40 -5.216 -9.728 7.459 333 H ASN 41 H ASN 41 -12.016 -9.313 5.941 334 HA ASN 41 HA ASN 41 -13.887 -8.303 3.927 335 1HB ASN 41 1HB ASN 41 -14.198 -9.908 5.982 336 2HB ASN 41 2HB ASN 41 -14.365 -8.410 6.897 337 1HD2 ASN 41 1HD2 ASN 41 -15.939 -10.516 4.579 338 2HD2 ASN 41 2HD2 ASN 41 -17.382 -9.630 4.460 339 H VAL 42 H VAL 42 -13.615 -6.166 3.347 340 HA VAL 42 HA VAL 42 -14.150 -4.050 5.227 341 HB VAL 42 HB VAL 42 -11.923 -4.617 6.030 342 1HG1 VAL 42 1HG1 VAL 42 -9.983 -4.593 4.507 343 2HG1 VAL 42 2HG1 VAL 42 -11.053 -4.255 3.147 344 3HG1 VAL 42 3HG1 VAL 42 -11.165 -5.797 3.994 345 1HG2 VAL 42 1HG2 VAL 42 -11.014 -2.324 4.484 346 2HG2 VAL 42 2HG2 VAL 42 -11.377 -2.433 6.207 347 3HG2 VAL 42 3HG2 VAL 42 -12.667 -2.096 5.053 348 H LYS 43 H LYS 43 -14.281 -1.983 4.114 349 HA LYS 43 HA LYS 43 -14.296 -2.267 1.140 350 1HB LYS 43 1HB LYS 43 -15.626 -0.365 3.093 351 2HB LYS 43 2HB LYS 43 -15.795 -0.249 1.340 352 1HG LYS 43 1HG LYS 43 -16.976 -2.268 1.189 353 2HG LYS 43 2HG LYS 43 -16.373 -2.847 2.742 354 1HD LYS 43 1HD LYS 43 -18.367 -2.152 3.568 355 2HD LYS 43 2HD LYS 43 -17.684 -0.530 3.455 356 1HE LYS 43 1HE LYS 43 -18.564 -0.431 1.071 357 2HE LYS 43 2HE LYS 43 -19.451 -1.928 1.423 358 1HZ LYS 43 1HZ LYS 43 -20.967 -0.401 2.147 359 2HZ LYS 43 2HZ LYS 43 -19.789 0.747 2.573 360 3HZ LYS 43 3HZ LYS 43 -20.076 -0.594 3.577 361 H HIS 44 H HIS 44 -13.511 -0.421 -0.134 362 HA HIS 44 HA HIS 44 -10.919 0.469 0.432 363 1HB HIS 44 1HB HIS 44 -11.691 0.706 -1.769 364 2HB HIS 44 2HB HIS 44 -13.212 1.440 -1.258 365 HD1 HIS 44 HD1 HIS 44 -13.278 3.968 -1.019 366 HD2 HIS 44 HD2 HIS 44 -9.417 2.526 -1.651 367 HE1 HIS 44 HE1 HIS 44 -11.808 5.995 -1.406 368 H LYS 45 H LYS 45 -10.203 2.746 0.937 369 HA LYS 45 HA LYS 45 -12.094 4.411 2.485 370 1HB LYS 45 1HB LYS 45 -10.337 2.439 3.641 371 2HB LYS 45 2HB LYS 45 -9.840 4.046 4.170 372 1HG LYS 45 1HG LYS 45 -12.181 4.530 4.842 373 2HG LYS 45 2HG LYS 45 -12.638 2.894 4.367 374 1HD LYS 45 1HD LYS 45 -11.162 1.935 6.037 375 2HD LYS 45 2HD LYS 45 -10.517 3.528 6.438 376 1HE LYS 45 1HE LYS 45 -13.355 3.703 6.660 377 2HE LYS 45 2HE LYS 45 -12.840 2.246 7.532 378 1HZ LYS 45 1HZ LYS 45 -11.226 4.683 7.785 379 2HZ LYS 45 2HZ LYS 45 -11.462 3.425 8.901 380 3HZ LYS 45 3HZ LYS 45 -12.675 4.590 8.661 381 H SER 46 H SER 46 -8.554 4.211 2.747 382 HA SER 46 HA SER 46 -8.314 7.049 2.025 383 1HB SER 46 1HB SER 46 -5.930 5.312 2.342 384 2HB SER 46 2HB SER 46 -6.308 6.850 3.113 385 HG SER 46 HG SER 46 -7.133 5.795 4.729 386 H ALA 47 H ALA 47 -9.225 6.415 -0.256 387 HA ALA 47 HA ALA 47 -7.946 4.915 -2.204 388 1HB ALA 47 1HB ALA 47 -9.539 5.983 -3.392 389 2HB ALA 47 2HB ALA 47 -9.800 7.062 -2.022 390 3HB ALA 47 3HB ALA 47 -8.638 7.495 -3.276 391 H ILE 48 H ILE 48 -6.115 5.159 -3.497 392 HA ILE 48 HA ILE 48 -4.453 7.617 -3.168 393 HB ILE 48 HB ILE 48 -3.678 4.737 -2.626 394 1HG1 ILE 48 1HG1 ILE 48 -3.146 7.135 -0.887 395 2HG1 ILE 48 2HG1 ILE 48 -4.736 6.371 -0.872 396 1HG2 ILE 48 1HG2 ILE 48 -2.019 6.174 -4.041 397 2HG2 ILE 48 2HG2 ILE 48 -1.404 5.329 -2.621 398 3HG2 ILE 48 3HG2 ILE 48 -1.757 7.054 -2.536 399 1HD1 ILE 48 1HD1 ILE 48 -2.120 4.914 -0.395 400 2HD1 ILE 48 2HD1 ILE 48 -3.738 4.219 -0.285 401 3HD1 ILE 48 3HD1 ILE 48 -3.222 5.442 0.877 402 H VAL 49 H VAL 49 -3.548 8.213 -5.125 403 HA VAL 49 HA VAL 49 -3.844 6.298 -7.405 404 HB VAL 49 HB VAL 49 -3.524 9.315 -7.284 405 1HG1 VAL 49 1HG1 VAL 49 -2.727 8.752 -9.406 406 2HG1 VAL 49 2HG1 VAL 49 -4.451 8.951 -9.720 407 3HG1 VAL 49 3HG1 VAL 49 -3.769 7.335 -9.532 408 1HG2 VAL 49 1HG2 VAL 49 -5.821 9.482 -7.383 409 2HG2 VAL 49 2HG2 VAL 49 -5.714 7.947 -6.522 410 3HG2 VAL 49 3HG2 VAL 49 -5.997 7.964 -8.263 411 H THR 50 H THR 50 -2.076 6.311 -9.023 412 HA THR 50 HA THR 50 0.565 7.291 -8.050 413 HB THR 50 HB THR 50 -0.225 4.431 -8.677 414 HG1 THR 50 HG1 THR 50 0.398 4.099 -6.582 415 1HG2 THR 50 1HG2 THR 50 2.331 4.162 -8.003 416 2HG2 THR 50 2HG2 THR 50 2.434 5.794 -8.663 417 3HG2 THR 50 3HG2 THR 50 1.859 4.470 -9.675 418 H LEU 51 H LEU 51 2.193 7.253 -9.824 419 HA LEU 51 HA LEU 51 1.002 6.949 -12.554 420 1HB LEU 51 1HB LEU 51 2.383 9.299 -11.261 421 2HB LEU 51 2HB LEU 51 2.372 9.115 -13.015 422 HG LEU 51 HG LEU 51 -0.272 8.623 -12.246 423 1HD1 LEU 51 1HD1 LEU 51 -0.086 9.524 -10.072 424 2HD1 LEU 51 2HD1 LEU 51 -0.698 10.872 -11.030 425 3HD1 LEU 51 3HD1 LEU 51 1.012 10.800 -10.599 426 1HD2 LEU 51 1HD2 LEU 51 -0.740 10.564 -13.550 427 2HD2 LEU 51 2HD2 LEU 51 0.749 9.903 -14.224 428 3HD2 LEU 51 3HD2 LEU 51 0.812 11.300 -13.148 429 H THR 52 H THR 52 2.388 5.917 -13.960 430 HA THR 52 HA THR 52 5.083 5.165 -12.951 431 HB THR 52 HB THR 52 4.601 3.914 -15.393 432 HG1 THR 52 HG1 THR 52 2.188 3.967 -13.924 433 1HG2 THR 52 1HG2 THR 52 3.635 2.864 -12.732 434 2HG2 THR 52 2HG2 THR 52 5.350 3.010 -13.114 435 3HG2 THR 52 3HG2 THR 52 4.319 1.954 -14.079 436 H TYR 53 H TYR 53 6.893 6.156 -13.747 437 HA TYR 53 HA TYR 53 6.637 7.739 -16.285 438 1HB TYR 53 1HB TYR 53 8.133 8.154 -13.691 439 2HB TYR 53 2HB TYR 53 8.559 9.044 -15.153 440 HD1 TYR 53 HD1 TYR 53 6.126 8.646 -12.464 441 HD2 TYR 53 HD2 TYR 53 6.891 10.541 -16.244 442 HE1 TYR 53 HE1 TYR 53 4.258 10.226 -12.051 443 HE2 TYR 53 HE2 TYR 53 5.024 12.120 -15.831 444 HH TYR 53 HH TYR 53 3.414 12.289 -12.738 445 H ASP 54 H ASP 54 8.443 7.636 -17.739 446 HA ASP 54 HA ASP 54 10.166 5.224 -17.360 447 1HB ASP 54 1HB ASP 54 8.544 5.805 -19.368 448 2HB ASP 54 2HB ASP 54 9.901 6.798 -19.902 449 H SER 55 H SER 55 10.265 8.678 -17.420 450 HA SER 55 HA SER 55 13.264 8.578 -17.500 451 1HB SER 55 1HB SER 55 11.410 10.722 -18.587 452 2HB SER 55 2HB SER 55 13.166 10.696 -18.731 453 HG SER 55 HG SER 55 12.719 8.523 -19.748 454 H GLU 56 H GLU 56 14.202 9.516 -15.712 455 HA GLU 56 HA GLU 56 12.738 10.373 -13.443 456 1HB GLU 56 1HB GLU 56 15.556 10.775 -14.452 457 2HB GLU 56 2HB GLU 56 15.049 11.416 -12.890 458 1HG GLU 56 1HG GLU 56 14.177 9.031 -12.410 459 2HG GLU 56 2HG GLU 56 15.167 8.536 -13.782 460 H TRP 57 H TRP 57 14.429 12.376 -15.888 461 HA TRP 57 HA TRP 57 13.815 14.932 -14.885 462 1HB TRP 57 1HB TRP 57 15.129 13.916 -16.999 463 2HB TRP 57 2HB TRP 57 13.656 14.427 -17.822 464 HD1 TRP 57 HD1 TRP 57 13.269 16.933 -15.675 465 HE1 TRP 57 HE1 TRP 57 14.669 19.054 -16.119 466 HE3 TRP 57 HE3 TRP 57 16.909 14.970 -18.666 467 HZ2 TRP 57 HZ2 TRP 57 17.028 19.812 -17.556 468 HZ3 TRP 57 HZ3 TRP 57 18.720 16.408 -19.558 469 HH2 TRP 57 HH2 TRP 57 18.784 18.826 -19.007 470 H GLN 58 H GLN 58 11.865 12.879 -17.065 471 HA GLN 58 HA GLN 58 9.747 14.685 -17.576 472 1HB GLN 58 1HB GLN 58 10.231 12.456 -18.636 473 2HB GLN 58 2HB GLN 58 9.609 11.679 -17.180 474 1HG GLN 58 1HG GLN 58 7.416 12.424 -17.563 475 2HG GLN 58 2HG GLN 58 7.944 13.718 -18.639 476 1HE2 GLN 58 1HE2 GLN 58 6.063 11.298 -19.071 477 2HE2 GLN 58 2HE2 GLN 58 6.663 10.571 -20.484 478 H ARG 59 H ARG 59 10.083 12.315 -14.905 479 HA ARG 59 HA ARG 59 7.567 12.776 -13.663 480 1HB ARG 59 1HB ARG 59 9.096 10.932 -13.120 481 2HB ARG 59 2HB ARG 59 10.290 12.079 -12.512 482 1HG ARG 59 1HG ARG 59 8.714 12.810 -10.764 483 2HG ARG 59 2HG ARG 59 7.509 11.672 -11.372 484 1HD ARG 59 1HD ARG 59 8.515 9.897 -10.353 485 2HD ARG 59 2HD ARG 59 10.138 10.444 -10.819 486 HE ARG 59 HE ARG 59 8.823 11.052 -8.308 487 1HH1 ARG 59 1HH2 ARG 59 11.643 11.376 -10.054 488 2HH1 ARG 59 2HH2 ARG 59 12.144 12.866 -9.324 489 1HH2 ARG 59 1HH1 ARG 59 9.146 13.368 -7.659 490 2HH2 ARG 59 2HH1 ARG 59 10.731 13.993 -7.969 491 H ASP 60 H ASP 60 10.687 14.457 -13.272 492 HA ASP 60 HA ASP 60 9.948 16.176 -11.120 493 1HB ASP 60 1HB ASP 60 11.889 16.388 -13.435 494 2HB ASP 60 2HB ASP 60 11.833 17.575 -12.131 495 H GLN 61 H GLN 61 9.505 16.486 -14.635 496 HA GLN 61 HA GLN 61 8.633 19.220 -14.650 497 1HB GLN 61 1HB GLN 61 8.175 16.823 -16.441 498 2HB GLN 61 2HB GLN 61 7.608 18.442 -16.858 499 1HG GLN 61 1HG GLN 61 9.861 19.313 -16.829 500 2HG GLN 61 2HG GLN 61 10.491 17.797 -16.182 501 1HE2 GLN 61 1HE2 GLN 61 11.291 16.368 -17.727 502 2HE2 GLN 61 2HE2 GLN 61 10.883 16.386 -19.374 503 H PHE 62 H PHE 62 6.808 16.147 -14.481 504 HA PHE 62 HA PHE 62 4.182 17.185 -14.533 505 1HB PHE 62 1HB PHE 62 4.604 14.833 -14.680 506 2HB PHE 62 2HB PHE 62 5.476 14.825 -13.147 507 HD1 PHE 62 HD1 PHE 62 2.287 14.409 -14.733 508 HD2 PHE 62 HD2 PHE 62 4.160 15.491 -11.021 509 HE1 PHE 62 HE1 PHE 62 0.170 13.942 -13.529 510 HE2 PHE 62 HE2 PHE 62 2.043 15.023 -9.816 511 HZ PHE 62 HZ PHE 62 0.047 14.249 -11.070 512 H LEU 63 H LEU 63 6.306 16.643 -11.702 513 HA LEU 63 HA LEU 63 4.485 17.473 -9.686 514 1HB LEU 63 1HB LEU 63 7.497 17.537 -9.975 515 2HB LEU 63 2HB LEU 63 6.689 17.962 -8.467 516 HG LEU 63 HG LEU 63 6.222 15.343 -9.914 517 1HD1 LEU 63 1HD1 LEU 63 7.681 15.130 -7.424 518 2HD1 LEU 63 2HD1 LEU 63 8.558 16.158 -8.559 519 3HD1 LEU 63 3HD1 LEU 63 8.115 14.513 -9.018 520 1HD2 LEU 63 1HD2 LEU 63 5.300 16.625 -7.382 521 2HD2 LEU 63 2HD2 LEU 63 5.632 14.893 -7.329 522 3HD2 LEU 63 3HD2 LEU 63 4.439 15.528 -8.463 523 H SER 64 H SER 64 6.304 19.360 -12.006 524 HA SER 64 HA SER 64 5.897 21.879 -10.492 525 1HB SER 64 1HB SER 64 7.353 22.793 -12.184 526 2HB SER 64 2HB SER 64 8.004 21.218 -11.743 527 HG SER 64 HG SER 64 7.930 21.156 -13.912 528 H GLN 65 H GLN 65 4.405 20.065 -13.053 529 HA GLN 65 HA GLN 65 2.916 22.428 -14.064 530 1HB GLN 65 1HB GLN 65 2.806 19.511 -14.891 531 2HB GLN 65 2HB GLN 65 2.259 20.901 -15.829 532 1HG GLN 65 1HG GLN 65 4.449 21.630 -16.266 533 2HG GLN 65 2HG GLN 65 5.122 20.719 -14.916 534 1HE2 GLN 65 1HE2 GLN 65 4.315 20.572 -18.296 535 2HE2 GLN 65 2HE2 GLN 65 4.759 18.953 -18.544 536 H VAL 66 H VAL 66 2.585 20.037 -11.680 537 HA VAL 66 HA VAL 66 -0.405 20.194 -11.780 538 HB VAL 66 HB VAL 66 -0.310 18.090 -10.528 539 1HG1 VAL 66 1HG1 VAL 66 1.630 18.156 -12.861 540 2HG1 VAL 66 2HG1 VAL 66 -0.117 17.941 -12.969 541 3HG1 VAL 66 3HG1 VAL 66 0.879 16.699 -12.211 542 1HG2 VAL 66 1HG2 VAL 66 2.467 18.992 -10.116 543 2HG2 VAL 66 2HG2 VAL 66 2.321 17.281 -10.516 544 3HG2 VAL 66 3HG2 VAL 66 1.469 17.935 -9.117 545 H LYS 67 H LYS 67 -1.006 21.886 -10.452 546 HA LYS 67 HA LYS 67 0.508 22.852 -8.214 547 1HB LYS 67 1HB LYS 67 -1.128 24.180 -9.455 548 2HB LYS 67 2HB LYS 67 -2.421 23.077 -8.977 549 1HG LYS 67 1HG LYS 67 -2.640 24.818 -7.420 550 2HG LYS 67 2HG LYS 67 -1.667 23.638 -6.542 551 1HD LYS 67 1HD LYS 67 0.384 24.830 -7.159 552 2HD LYS 67 2HD LYS 67 -0.554 25.988 -8.102 553 1HE LYS 67 1HE LYS 67 -0.542 27.212 -6.163 554 2HE LYS 67 2HE LYS 67 -1.827 26.097 -5.660 555 1HZ LYS 67 1HZ LYS 67 -0.139 24.589 -4.808 556 2HZ LYS 67 2HZ LYS 67 -0.009 26.107 -4.055 557 3HZ LYS 67 3HZ LYS 67 1.089 25.663 -5.273 558 H ILE 68 H ILE 68 0.919 21.463 -6.506 559 HA ILE 68 HA ILE 68 -1.141 19.550 -5.596 560 HB ILE 68 HB ILE 68 1.725 20.200 -4.865 561 1HG1 ILE 68 1HG1 ILE 68 1.383 18.970 -6.959 562 2HG1 ILE 68 2HG1 ILE 68 2.085 17.898 -5.747 563 1HG2 ILE 68 1HG2 ILE 68 1.226 17.829 -3.622 564 2HG2 ILE 68 2HG2 ILE 68 -0.321 18.643 -3.394 565 3HG2 ILE 68 3HG2 ILE 68 1.163 19.391 -2.806 566 1HD1 ILE 68 1HD1 ILE 68 -0.513 17.739 -7.083 567 2HD1 ILE 68 2HD1 ILE 68 -0.649 17.636 -5.328 568 3HD1 ILE 68 3HD1 ILE 68 0.372 16.494 -6.201 569 HA PRO 69 HA PRO 69 -2.770 22.500 -2.714 570 1HB PRO 69 1HB PRO 69 -4.054 20.727 -1.064 571 2HB PRO 69 2HB PRO 69 -4.708 21.245 -2.630 572 1HG PRO 69 1HG PRO 69 -3.283 18.737 -1.910 573 2HG PRO 69 2HG PRO 69 -4.657 18.987 -2.998 574 1HD PRO 69 1HD PRO 69 -2.104 18.634 -3.868 575 2HD PRO 69 2HD PRO 69 -3.326 19.560 -4.765 576 H LYS 70 H LYS 70 -3.054 21.731 0.065 577 HA LYS 70 HA LYS 70 -0.159 21.538 0.812 578 1HB LYS 70 1HB LYS 70 -1.136 22.671 2.950 579 2HB LYS 70 2HB LYS 70 -0.998 23.636 1.481 580 1HG LYS 70 1HG LYS 70 -3.210 23.905 2.601 581 2HG LYS 70 2HG LYS 70 -3.356 23.261 0.967 582 1HD LYS 70 1HD LYS 70 -3.786 21.065 1.752 583 2HD LYS 70 2HD LYS 70 -3.196 21.442 3.371 584 1HE LYS 70 1HE LYS 70 -5.116 23.081 3.601 585 2HE LYS 70 2HE LYS 70 -5.760 22.427 2.081 586 1HZ LYS 70 1HZ LYS 70 -6.419 21.331 4.333 587 2HZ LYS 70 2HZ LYS 70 -4.902 20.578 4.201 588 3HZ LYS 70 3HZ LYS 70 -6.073 20.356 2.990 589 H THR 71 H THR 71 -1.681 19.156 0.349 590 HA THR 71 HA THR 71 -1.438 17.902 3.020 591 HB THR 71 HB THR 71 -3.894 16.950 2.178 592 HG1 THR 71 HG1 THR 71 -5.032 18.675 1.447 593 1HG2 THR 71 1HG2 THR 71 -3.286 17.614 4.463 594 2HG2 THR 71 2HG2 THR 71 -4.795 18.389 3.979 595 3HG2 THR 71 3HG2 THR 71 -3.292 19.311 3.982 596 H ILE 72 H ILE 72 -1.490 17.659 -0.437 597 HA ILE 72 HA ILE 72 -1.407 14.693 -0.392 598 HB ILE 72 HB ILE 72 -1.486 16.820 -2.550 599 1HG1 ILE 72 1HG1 ILE 72 -3.503 14.642 -2.189 600 2HG1 ILE 72 2HG1 ILE 72 -3.504 15.965 -1.022 601 1HG2 ILE 72 1HG2 ILE 72 -1.809 13.898 -3.136 602 2HG2 ILE 72 2HG2 ILE 72 -0.178 14.554 -2.999 603 3HG2 ILE 72 3HG2 ILE 72 -1.290 15.200 -4.205 604 1HD1 ILE 72 1HD1 ILE 72 -4.495 15.947 -3.732 605 2HD1 ILE 72 2HD1 ILE 72 -3.229 17.164 -3.567 606 3HD1 ILE 72 3HD1 ILE 72 -4.640 17.209 -2.510 607 H THR 73 H THR 73 0.631 14.056 0.335 608 HA THR 73 HA THR 73 3.051 15.448 -0.688 609 HB THR 73 HB THR 73 2.557 13.273 1.374 610 HG1 THR 73 HG1 THR 73 3.379 15.957 1.723 611 1HG2 THR 73 1HG2 THR 73 4.815 13.146 0.316 612 2HG2 THR 73 2HG2 THR 73 4.885 13.578 2.024 613 3HG2 THR 73 3HG2 THR 73 5.097 14.821 0.791 614 H VAL 74 H VAL 74 4.841 14.040 -1.541 615 HA VAL 74 HA VAL 74 3.877 11.474 -2.745 616 HB VAL 74 HB VAL 74 5.263 13.718 -4.235 617 1HG1 VAL 74 1HG1 VAL 74 5.062 11.031 -4.844 618 2HG1 VAL 74 2HG1 VAL 74 5.311 12.322 -6.019 619 3HG1 VAL 74 3HG1 VAL 74 3.683 11.724 -5.698 620 1HG2 VAL 74 1HG2 VAL 74 2.852 13.724 -5.333 621 2HG2 VAL 74 2HG2 VAL 74 3.163 14.647 -3.863 622 3HG2 VAL 74 3HG2 VAL 74 2.371 13.075 -3.765 623 H SER 75 H SER 75 5.361 9.920 -2.592 624 HA SER 75 HA SER 75 8.171 10.612 -1.839 625 1HB SER 75 1HB SER 75 6.283 8.821 -0.861 626 2HB SER 75 2HB SER 75 7.353 7.798 -1.812 627 HG SER 75 HG SER 75 8.349 9.730 -0.008 628 H THR 76 H THR 76 9.762 8.807 -2.745 629 HA THR 76 HA THR 76 9.250 8.584 -5.690 630 HB THR 76 HB THR 76 11.913 8.300 -5.437 631 HG1 THR 76 HG1 THR 76 12.667 9.277 -3.664 632 1HG2 THR 76 1HG2 THR 76 11.924 10.322 -6.446 633 2HG2 THR 76 2HG2 THR 76 11.178 11.108 -5.055 634 3HG2 THR 76 3HG2 THR 76 10.171 10.291 -6.250 635 H GLY 77 H GLY 77 9.867 6.576 -6.727 636 1HA GLY 77 1HA GLY 77 10.824 4.342 -5.092 637 2HA GLY 77 2HA GLY 77 9.147 4.183 -5.614 638 H PHE 78 H PHE 78 10.938 2.307 -6.521 639 HA PHE 78 HA PHE 78 10.988 2.904 -9.436 640 1HB PHE 78 1HB PHE 78 13.372 1.908 -7.841 641 2HB PHE 78 2HB PHE 78 13.344 2.247 -9.572 642 HD1 PHE 78 HD1 PHE 78 13.744 3.636 -6.261 643 HD2 PHE 78 HD2 PHE 78 12.869 4.625 -10.350 644 HE1 PHE 78 HE1 PHE 78 14.293 6.012 -5.804 645 HE2 PHE 78 HE2 PHE 78 13.417 7.001 -9.893 646 HZ PHE 78 HZ PHE 78 14.130 7.694 -7.621 647 H MET 79 H MET 79 10.091 1.157 -10.445 648 HA MET 79 HA MET 79 9.965 -1.439 -8.990 649 1HB MET 79 1HB MET 79 8.236 0.124 -10.602 650 2HB MET 79 2HB MET 79 8.580 -1.343 -11.520 651 1HG MET 79 1HG MET 79 7.370 -2.629 -10.109 652 2HG MET 79 2HG MET 79 8.097 -1.883 -8.686 653 1HE MET 79 1HE MET 79 5.152 -2.765 -10.195 654 2HE MET 79 2HE MET 79 5.073 -2.683 -8.437 655 3HE MET 79 3HE MET 79 3.939 -1.748 -9.422 656 H SER 80 H SER 80 10.102 -3.408 -10.573 657 HA SER 80 HA SER 80 12.149 -3.003 -12.704 658 1HB SER 80 1HB SER 80 12.756 -5.333 -11.111 659 2HB SER 80 2HB SER 80 13.773 -3.935 -11.443 660 HG SER 80 HG SER 80 13.266 -4.241 -9.194 661 H ILE 81 H ILE 81 10.918 -3.803 -14.406 662 HA ILE 81 HA ILE 81 10.104 -6.653 -14.260 663 HB ILE 81 HB ILE 81 7.808 -6.108 -14.901 664 1HG1 ILE 81 1HG1 ILE 81 8.371 -3.181 -14.530 665 2HG1 ILE 81 2HG1 ILE 81 8.707 -3.930 -16.092 666 1HG2 ILE 81 1HG2 ILE 81 7.065 -5.120 -12.838 667 2HG2 ILE 81 2HG2 ILE 81 8.606 -4.293 -12.611 668 3HG2 ILE 81 3HG2 ILE 81 8.517 -6.049 -12.464 669 1HD1 ILE 81 1HD1 ILE 81 6.500 -4.208 -16.578 670 2HD1 ILE 81 2HD1 ILE 81 6.268 -2.938 -15.377 671 3HD1 ILE 81 3HD1 ILE 81 6.088 -4.630 -14.915 672 1H MET 1 1H MET 1 15.913 -0.778 -0.467 673 2H MET 1 2H MET 1 15.278 -0.925 1.102 674 3H MET 1 3H MET 1 15.672 0.606 0.482 675 HA MET 1 HA MET 1 13.520 0.779 -0.084 676 1HB MET 1 1HB MET 1 14.605 -1.298 -2.012 677 2HB MET 1 2HB MET 1 13.083 -0.441 -2.263 678 1HG MET 1 1HG MET 1 14.138 1.446 -2.929 679 2HG MET 1 2HG MET 1 15.296 1.359 -1.603 680 1HE MET 1 1HE MET 1 15.708 1.229 -5.675 681 2HE MET 1 2HE MET 1 15.092 -0.421 -5.632 682 3HE MET 1 3HE MET 1 14.195 0.883 -4.841 683 H THR 2 H THR 2 11.578 -0.925 -1.035 684 HA THR 2 HA THR 2 11.389 -3.056 1.072 685 HB THR 2 HB THR 2 8.922 -2.426 1.043 686 HG1 THR 2 HG1 THR 2 9.586 -1.134 -1.051 687 1HG2 THR 2 1HG2 THR 2 10.503 -1.645 2.790 688 2HG2 THR 2 2HG2 THR 2 9.250 -0.451 2.452 689 3HG2 THR 2 3HG2 THR 2 10.874 -0.234 1.799 690 HA PRO 3 HA PRO 3 11.149 -5.440 -2.752 691 1HB PRO 3 1HB PRO 3 10.504 -7.796 -1.522 692 2HB PRO 3 2HB PRO 3 12.168 -7.187 -1.631 693 1HG PRO 3 1HG PRO 3 10.256 -7.073 0.646 694 2HG PRO 3 2HG PRO 3 12.002 -7.372 0.650 695 1HD PRO 3 1HD PRO 3 10.899 -4.975 1.304 696 2HD PRO 3 2HD PRO 3 12.519 -5.146 0.597 697 H ILE 4 H ILE 4 9.330 -6.232 -3.928 698 HA ILE 4 HA ILE 4 6.686 -6.239 -2.541 699 HB ILE 4 HB ILE 4 5.897 -4.819 -4.550 700 1HG1 ILE 4 1HG1 ILE 4 8.560 -3.617 -4.767 701 2HG1 ILE 4 2HG1 ILE 4 8.509 -5.270 -5.381 702 1HG2 ILE 4 1HG2 ILE 4 5.891 -3.680 -2.513 703 2HG2 ILE 4 2HG2 ILE 4 7.029 -2.714 -3.453 704 3HG2 ILE 4 3HG2 ILE 4 7.627 -3.886 -2.278 705 1HD1 ILE 4 1HD1 ILE 4 6.207 -3.604 -6.173 706 2HD1 ILE 4 2HD1 ILE 4 7.187 -4.705 -7.143 707 3HD1 ILE 4 3HD1 ILE 4 7.756 -3.066 -6.823 708 H VAL 5 H VAL 5 4.953 -6.930 -4.282 709 HA VAL 5 HA VAL 5 6.090 -8.788 -6.313 710 HB VAL 5 HB VAL 5 4.273 -9.503 -3.992 711 1HG1 VAL 5 1HG1 VAL 5 4.021 -10.508 -6.524 712 2HG1 VAL 5 2HG1 VAL 5 3.624 -11.407 -5.060 713 3HG1 VAL 5 3HG1 VAL 5 5.196 -11.624 -5.829 714 1HG2 VAL 5 1HG2 VAL 5 6.262 -11.316 -3.963 715 2HG2 VAL 5 2HG2 VAL 5 6.395 -9.766 -3.132 716 3HG2 VAL 5 3HG2 VAL 5 7.125 -9.979 -4.722 717 H HIS 6 H HIS 6 4.973 -8.350 -8.172 718 HA HIS 6 HA HIS 6 2.192 -7.268 -7.959 719 1HB HIS 6 1HB HIS 6 4.560 -6.727 -9.524 720 2HB HIS 6 2HB HIS 6 3.216 -7.118 -10.597 721 HD1 HIS 6 HD1 HIS 6 2.969 -4.629 -11.342 722 HD2 HIS 6 HD2 HIS 6 2.422 -5.231 -7.254 723 HE1 HIS 6 HE1 HIS 6 1.955 -2.493 -10.433 724 H LEU 7 H LEU 7 0.545 -8.639 -8.509 725 HA LEU 7 HA LEU 7 1.194 -11.021 -10.218 726 1HB LEU 7 1HB LEU 7 -0.924 -10.627 -8.075 727 2HB LEU 7 2HB LEU 7 -0.600 -12.130 -8.940 728 HG LEU 7 HG LEU 7 1.900 -11.450 -8.005 729 1HD1 LEU 7 1HD1 LEU 7 0.660 -9.633 -6.663 730 2HD1 LEU 7 2HD1 LEU 7 1.733 -10.700 -5.756 731 3HD1 LEU 7 3HD1 LEU 7 -0.011 -10.960 -5.715 732 1HD2 LEU 7 1HD2 LEU 7 1.153 -13.686 -7.852 733 2HD2 LEU 7 2HD2 LEU 7 -0.293 -13.235 -6.949 734 3HD2 LEU 7 3HD2 LEU 7 1.287 -13.182 -6.168 735 H LYS 8 H LYS 8 -0.143 -11.382 -12.009 736 HA LYS 8 HA LYS 8 -2.518 -9.589 -12.353 737 1HB LYS 8 1HB LYS 8 -0.729 -8.490 -13.483 738 2HB LYS 8 2HB LYS 8 -0.105 -10.007 -14.128 739 1HG LYS 8 1HG LYS 8 -1.234 -8.955 -15.945 740 2HG LYS 8 2HG LYS 8 -2.324 -10.222 -15.383 741 1HD LYS 8 1HD LYS 8 -3.609 -8.595 -14.092 742 2HD LYS 8 2HD LYS 8 -2.479 -7.315 -14.535 743 1HE LYS 8 1HE LYS 8 -4.216 -7.015 -16.104 744 2HE LYS 8 2HE LYS 8 -3.079 -8.038 -17.005 745 1HZ LYS 8 1HZ LYS 8 -5.389 -8.908 -16.996 746 2HZ LYS 8 2HZ LYS 8 -5.280 -9.088 -15.310 747 3HZ LYS 8 3HZ LYS 8 -4.261 -9.985 -16.330 748 H GLY 9 H GLY 9 -4.019 -10.402 -14.014 749 1HA GLY 9 1HA GLY 9 -3.947 -12.621 -15.601 750 2HA GLY 9 2HA GLY 9 -4.166 -13.334 -14.002 751 H ASP 10 H ASP 10 -6.284 -14.090 -14.725 752 HA ASP 10 HA ASP 10 -8.363 -12.343 -15.652 753 1HB ASP 10 1HB ASP 10 -8.086 -14.946 -15.598 754 2HB ASP 10 2HB ASP 10 -8.811 -14.819 -13.996 755 H ALA 11 H ALA 11 -9.451 -10.801 -14.511 756 HA ALA 11 HA ALA 11 -9.001 -10.042 -11.856 757 1HB ALA 11 1HB ALA 11 -10.190 -8.509 -13.127 758 2HB ALA 11 2HB ALA 11 -11.202 -9.752 -13.861 759 3HB ALA 11 3HB ALA 11 -11.521 -9.216 -12.212 760 H ASN 12 H ASN 12 -11.323 -12.435 -13.097 761 HA ASN 12 HA ASN 12 -12.711 -12.869 -10.611 762 1HB ASN 12 1HB ASN 12 -12.522 -13.986 -13.318 763 2HB ASN 12 2HB ASN 12 -12.882 -15.204 -12.094 764 1HD2 ASN 12 1HD2 ASN 12 -14.814 -14.314 -14.079 765 2HD2 ASN 12 2HD2 ASN 12 -16.080 -13.547 -13.248 766 H THR 13 H THR 13 -10.043 -14.666 -12.197 767 HA THR 13 HA THR 13 -9.733 -16.704 -10.251 768 HB THR 13 HB THR 13 -7.722 -15.278 -12.023 769 HG1 THR 13 HG1 THR 13 -9.565 -17.354 -12.337 770 1HG2 THR 13 1HG2 THR 13 -7.562 -17.948 -10.598 771 2HG2 THR 13 2HG2 THR 13 -6.573 -16.528 -10.263 772 3HG2 THR 13 3HG2 THR 13 -6.405 -17.375 -11.800 773 H LEU 14 H LEU 14 -8.859 -13.327 -10.141 774 HA LEU 14 HA LEU 14 -6.843 -13.487 -8.080 775 1HB LEU 14 1HB LEU 14 -8.722 -11.338 -9.092 776 2HB LEU 14 2HB LEU 14 -7.485 -11.022 -7.875 777 HG LEU 14 HG LEU 14 -6.811 -12.326 -10.513 778 1HD1 LEU 14 1HD1 LEU 14 -7.109 -10.373 -11.589 779 2HD1 LEU 14 2HD1 LEU 14 -6.010 -9.585 -10.456 780 3HD1 LEU 14 3HD1 LEU 14 -7.738 -9.651 -10.107 781 1HD2 LEU 14 1HD2 LEU 14 -4.995 -12.569 -9.065 782 2HD2 LEU 14 2HD2 LEU 14 -5.333 -11.055 -8.228 783 3HD2 LEU 14 3HD2 LEU 14 -4.614 -11.031 -9.838 784 H LYS 15 H LYS 15 -10.375 -13.273 -8.042 785 HA LYS 15 HA LYS 15 -10.784 -12.541 -5.326 786 1HB LYS 15 1HB LYS 15 -12.375 -12.853 -7.376 787 2HB LYS 15 2HB LYS 15 -12.493 -14.523 -6.821 788 1HG LYS 15 1HG LYS 15 -13.230 -13.754 -4.606 789 2HG LYS 15 2HG LYS 15 -13.082 -12.076 -5.129 790 1HD LYS 15 1HD LYS 15 -14.822 -14.030 -6.631 791 2HD LYS 15 2HD LYS 15 -15.433 -13.152 -5.228 792 1HE LYS 15 1HE LYS 15 -14.757 -11.002 -6.339 793 2HE LYS 15 2HE LYS 15 -14.329 -11.938 -7.785 794 1HZ LYS 15 1HZ LYS 15 -16.969 -11.526 -6.558 795 2HZ LYS 15 2HZ LYS 15 -16.667 -12.976 -7.392 796 3HZ LYS 15 3HZ LYS 15 -16.530 -11.485 -8.196 797 H CYS 16 H CYS 16 -10.229 -15.734 -6.809 798 HA CYS 16 HA CYS 16 -10.679 -17.262 -4.399 799 1HB CYS 16 1HB CYS 16 -10.636 -17.932 -6.908 800 2HB CYS 16 2HB CYS 16 -8.887 -18.033 -6.704 801 HG CYS 16 HG CYS 16 -9.424 -19.777 -4.694 802 H LEU 17 H LEU 17 -7.784 -15.809 -5.874 803 HA LEU 17 HA LEU 17 -5.794 -17.026 -4.254 804 1HB LEU 17 1HB LEU 17 -6.024 -14.263 -5.490 805 2HB LEU 17 2HB LEU 17 -4.523 -14.931 -4.849 806 HG LEU 17 HG LEU 17 -6.122 -16.462 -6.888 807 1HD1 LEU 17 1HD1 LEU 17 -5.023 -13.894 -7.329 808 2HD1 LEU 17 2HD1 LEU 17 -5.583 -15.038 -8.550 809 3HD1 LEU 17 3HD1 LEU 17 -3.892 -15.039 -8.050 810 1HD2 LEU 17 1HD2 LEU 17 -3.626 -17.085 -7.422 811 2HD2 LEU 17 2HD2 LEU 17 -4.408 -17.796 -6.010 812 3HD2 LEU 17 3HD2 LEU 17 -3.312 -16.429 -5.815 813 H ARG 18 H ARG 18 -7.508 -13.922 -3.746 814 HA ARG 18 HA ARG 18 -6.382 -13.063 -1.355 815 1HB ARG 18 1HB ARG 18 -8.141 -11.931 -2.696 816 2HB ARG 18 2HB ARG 18 -9.320 -13.109 -2.118 817 1HG ARG 18 1HG ARG 18 -8.534 -12.371 0.258 818 2HG ARG 18 2HG ARG 18 -7.903 -10.949 -0.573 819 1HD ARG 18 1HD ARG 18 -10.787 -11.915 -0.612 820 2HD ARG 18 2HD ARG 18 -10.173 -10.446 0.174 821 HE ARG 18 HE ARG 18 -9.591 -10.715 -2.711 822 1HH1 ARG 18 1HH1 ARG 18 -12.525 -10.388 -2.474 823 2HH1 ARG 18 2HH1 ARG 18 -12.716 -8.667 -2.428 824 1HH2 ARG 18 1HH2 ARG 18 -9.389 -8.054 -1.660 825 2HH2 ARG 18 2HH2 ARG 18 -10.940 -7.345 -1.967 826 H TYR 19 H TYR 19 -8.525 -15.808 -1.844 827 HA TYR 19 HA TYR 19 -9.372 -16.193 0.867 828 1HB TYR 19 1HB TYR 19 -10.363 -17.232 -1.154 829 2HB TYR 19 2HB TYR 19 -8.892 -18.178 -1.379 830 HD1 TYR 19 HD1 TYR 19 -12.113 -18.128 0.114 831 HD2 TYR 19 HD2 TYR 19 -8.116 -19.595 0.703 832 HE1 TYR 19 HE1 TYR 19 -12.973 -19.843 1.689 833 HE2 TYR 19 HE2 TYR 19 -8.978 -21.310 2.276 834 HH TYR 19 HH TYR 19 -11.681 -21.210 3.802 835 H ARG 20 H ARG 20 -6.555 -17.466 -0.936 836 HA ARG 20 HA ARG 20 -5.573 -19.091 1.249 837 1HB ARG 20 1HB ARG 20 -4.559 -18.038 -1.379 838 2HB ARG 20 2HB ARG 20 -3.442 -18.848 -0.279 839 1HG ARG 20 1HG ARG 20 -4.755 -20.857 -0.285 840 2HG ARG 20 2HG ARG 20 -6.084 -20.055 -1.124 841 1HD ARG 20 1HD ARG 20 -4.415 -19.637 -3.041 842 2HD ARG 20 2HD ARG 20 -3.378 -20.830 -2.234 843 HE ARG 20 HE ARG 20 -6.008 -21.905 -2.356 844 1HH1 ARG 20 1HH2 ARG 20 -5.472 -20.507 -5.096 845 2HH1 ARG 20 2HH2 ARG 20 -4.943 -21.870 -6.024 846 1HH2 ARG 20 1HH1 ARG 20 -4.433 -23.892 -3.254 847 2HH2 ARG 20 2HH1 ARG 20 -4.353 -23.786 -4.981 848 H PHE 21 H PHE 21 -5.297 -15.708 0.434 849 HA PHE 21 HA PHE 21 -2.867 -15.099 1.843 850 1HB PHE 21 1HB PHE 21 -5.350 -13.471 1.207 851 2HB PHE 21 2HB PHE 21 -3.812 -12.785 1.730 852 HD1 PHE 21 HD1 PHE 21 -2.764 -15.523 -0.020 853 HD2 PHE 21 HD2 PHE 21 -4.687 -11.747 -0.738 854 HE1 PHE 21 HE1 PHE 21 -1.954 -15.555 -2.363 855 HE2 PHE 21 HE2 PHE 21 -3.875 -11.781 -3.082 856 HZ PHE 21 HZ PHE 21 -2.508 -13.685 -3.894 857 H LYS 22 H LYS 22 -5.911 -16.107 2.993 858 HA LYS 22 HA LYS 22 -6.174 -14.591 5.404 859 1HB LYS 22 1HB LYS 22 -7.012 -17.361 4.518 860 2HB LYS 22 2HB LYS 22 -7.512 -16.674 6.064 861 1HG LYS 22 1HG LYS 22 -7.888 -14.892 3.737 862 2HG LYS 22 2HG LYS 22 -8.896 -16.340 3.735 863 1HD LYS 22 1HD LYS 22 -9.175 -15.592 6.322 864 2HD LYS 22 2HD LYS 22 -8.933 -14.012 5.577 865 1HE LYS 22 1HE LYS 22 -10.698 -15.028 3.811 866 2HE LYS 22 2HE LYS 22 -11.204 -15.917 5.260 867 1HZ LYS 22 1HZ LYS 22 -10.683 -13.404 6.174 868 2HZ LYS 22 2HZ LYS 22 -12.226 -14.044 5.865 869 3HZ LYS 22 3HZ LYS 22 -11.435 -13.117 4.681 870 H LYS 23 H LYS 23 -4.703 -17.823 4.867 871 HA LYS 23 HA LYS 23 -3.700 -18.004 7.592 872 1HB LYS 23 1HB LYS 23 -3.122 -19.496 5.015 873 2HB LYS 23 2HB LYS 23 -2.531 -19.999 6.599 874 1HG LYS 23 1HG LYS 23 -5.452 -19.443 6.329 875 2HG LYS 23 2HG LYS 23 -4.832 -20.932 5.612 876 1HD LYS 23 1HD LYS 23 -4.199 -21.819 7.660 877 2HD LYS 23 2HD LYS 23 -3.994 -20.231 8.401 878 1HE LYS 23 1HE LYS 23 -6.028 -21.464 9.241 879 2HE LYS 23 2HE LYS 23 -6.429 -19.916 8.474 880 1HZ LYS 23 1HZ LYS 23 -7.731 -21.921 7.681 881 2HZ LYS 23 2HZ LYS 23 -6.293 -22.449 6.946 882 3HZ LYS 23 3HZ LYS 23 -7.000 -20.977 6.476 883 H HIS 24 H HIS 24 -2.607 -16.416 4.742 884 HA HIS 24 HA HIS 24 0.237 -16.435 5.594 885 1HB HIS 24 1HB HIS 24 -1.180 -15.172 3.223 886 2HB HIS 24 2HB HIS 24 0.564 -15.361 3.408 887 HD1 HIS 24 HD1 HIS 24 1.242 -17.183 1.837 888 HD2 HIS 24 HD2 HIS 24 -2.269 -18.136 3.871 889 HE1 HIS 24 HE1 HIS 24 0.644 -19.549 1.164 890 H CYS 25 H CYS 25 -2.149 -14.927 6.936 891 HA CYS 25 HA CYS 25 -1.896 -12.129 6.569 892 1HB CYS 25 1HB CYS 25 -2.813 -12.067 8.892 893 2HB CYS 25 2HB CYS 25 -3.651 -13.239 7.875 894 HG CYS 25 HG CYS 25 -3.034 -14.466 10.095 895 H THR 26 H THR 26 0.220 -14.409 8.179 896 HA THR 26 HA THR 26 1.786 -12.223 9.453 897 HB THR 26 HB THR 26 1.260 -14.186 10.789 898 HG1 THR 26 HG1 THR 26 3.937 -14.426 9.892 899 1HG2 THR 26 1HG2 THR 26 0.891 -16.092 9.639 900 2HG2 THR 26 2HG2 THR 26 2.642 -16.307 9.645 901 3HG2 THR 26 3HG2 THR 26 1.853 -15.537 8.269 902 H LEU 27 H LEU 27 1.638 -13.568 6.449 903 HA LEU 27 HA LEU 27 4.552 -13.894 6.029 904 1HB LEU 27 1HB LEU 27 2.138 -14.121 4.201 905 2HB LEU 27 2HB LEU 27 3.785 -14.582 3.768 906 HG LEU 27 HG LEU 27 2.016 -15.822 5.887 907 1HD1 LEU 27 1HD1 LEU 27 3.363 -17.683 4.197 908 2HD1 LEU 27 2HD1 LEU 27 2.673 -16.432 3.162 909 3HD1 LEU 27 3HD1 LEU 27 1.635 -17.336 4.265 910 1HD2 LEU 27 1HD2 LEU 27 4.048 -17.291 6.310 911 2HD2 LEU 27 2HD2 LEU 27 4.193 -15.634 6.899 912 3HD2 LEU 27 3HD2 LEU 27 4.994 -16.111 5.402 913 H TYR 28 H TYR 28 1.939 -11.606 5.246 914 HA TYR 28 HA TYR 28 3.982 -9.850 3.929 915 1HB TYR 28 1HB TYR 28 2.064 -8.983 2.648 916 2HB TYR 28 2HB TYR 28 2.159 -10.736 2.488 917 HD1 TYR 28 HD1 TYR 28 0.483 -12.184 3.449 918 HD2 TYR 28 HD2 TYR 28 0.361 -7.944 4.125 919 HE1 TYR 28 HE1 TYR 28 -1.816 -12.395 4.360 920 HE2 TYR 28 HE2 TYR 28 -1.937 -8.155 5.035 921 HH TYR 28 HH TYR 28 -3.909 -10.479 4.524 922 H THR 29 H THR 29 3.447 -7.457 4.225 923 HA THR 29 HA THR 29 2.634 -6.981 7.052 924 HB THR 29 HB THR 29 4.303 -5.585 4.972 925 HG1 THR 29 HG1 THR 29 5.695 -5.570 6.894 926 1HG2 THR 29 1HG2 THR 29 2.892 -4.368 7.317 927 2HG2 THR 29 2HG2 THR 29 3.224 -3.676 5.729 928 3HG2 THR 29 3HG2 THR 29 4.517 -3.811 6.921 929 H ALA 30 H ALA 30 1.777 -6.120 3.726 930 HA ALA 30 HA ALA 30 -0.832 -5.122 4.652 931 1HB ALA 30 1HB ALA 30 -0.280 -2.935 4.646 932 2HB ALA 30 2HB ALA 30 1.398 -3.395 4.361 933 3HB ALA 30 3HB ALA 30 0.329 -3.068 2.996 934 H VAL 31 H VAL 31 -2.169 -6.096 3.178 935 HA VAL 31 HA VAL 31 -1.215 -6.660 0.438 936 HB VAL 31 HB VAL 31 -2.416 -8.385 1.630 937 1HG1 VAL 31 1HG1 VAL 31 -5.007 -7.547 2.016 938 2HG1 VAL 31 2HG1 VAL 31 -4.094 -6.092 2.414 939 3HG1 VAL 31 3HG1 VAL 31 -3.773 -7.597 3.274 940 1HG2 VAL 31 1HG2 VAL 31 -3.003 -7.764 -0.860 941 2HG2 VAL 31 2HG2 VAL 31 -4.554 -7.277 -0.174 942 3HG2 VAL 31 3HG2 VAL 31 -3.997 -8.942 -0.002 943 H SER 32 H SER 32 -1.390 -4.984 -1.009 944 HA SER 32 HA SER 32 -3.145 -2.728 -0.701 945 1HB SER 32 1HB SER 32 -2.349 -2.224 -2.982 946 2HB SER 32 2HB SER 32 -1.016 -2.782 -1.973 947 HG SER 32 HG SER 32 -1.000 -4.673 -3.021 948 H SER 33 H SER 33 -5.178 -2.326 -1.622 949 HA SER 33 HA SER 33 -6.933 -4.508 -2.167 950 1HB SER 33 1HB SER 33 -8.498 -2.813 -2.318 951 2HB SER 33 2HB SER 33 -7.190 -1.899 -1.571 952 HG SER 33 HG SER 33 -8.334 -1.267 -3.746 953 H THR 34 H THR 34 -8.027 -4.943 -4.272 954 HA THR 34 HA THR 34 -6.152 -5.368 -6.416 955 HB THR 34 HB THR 34 -9.187 -5.409 -6.338 956 HG1 THR 34 HG1 THR 34 -8.604 -7.748 -6.145 957 1HG2 THR 34 1HG2 THR 34 -8.230 -5.382 -8.627 958 2HG2 THR 34 2HG2 THR 34 -9.001 -6.924 -8.253 959 3HG2 THR 34 3HG2 THR 34 -7.243 -6.785 -8.212 960 H TRP 35 H TRP 35 -5.678 -4.061 -8.163 961 HA TRP 35 HA TRP 35 -7.494 -1.798 -8.830 962 1HB TRP 35 1HB TRP 35 -5.653 -0.209 -8.649 963 2HB TRP 35 2HB TRP 35 -5.790 -1.083 -7.122 964 HD1 TRP 35 HD1 TRP 35 -4.021 -3.114 -6.725 965 HE1 TRP 35 HE1 TRP 35 -1.598 -3.384 -7.563 966 HE3 TRP 35 HE3 TRP 35 -4.015 0.299 -10.524 967 HZ2 TRP 35 HZ2 TRP 35 0.118 -2.296 -9.576 968 HZ3 TRP 35 HZ3 TRP 35 -1.974 0.664 -11.884 969 HH2 TRP 35 HH2 TRP 35 0.090 -0.628 -11.415 970 H HIS 36 H HIS 36 -6.323 -0.610 -10.846 971 HA HIS 36 HA HIS 36 -4.755 -2.417 -12.547 972 1HB HIS 36 1HB HIS 36 -6.847 -3.475 -12.872 973 2HB HIS 36 2HB HIS 36 -7.719 -1.944 -12.860 974 HD1 HIS 36 HD1 HIS 36 -5.190 -3.813 -15.014 975 HD2 HIS 36 HD2 HIS 36 -8.123 -0.873 -15.389 976 HE1 HIS 36 HE1 HIS 36 -5.389 -3.309 -17.489 977 H TRP 37 H TRP 37 -4.632 -1.380 -14.842 978 HA TRP 37 HA TRP 37 -3.919 1.437 -14.517 979 1HB TRP 37 1HB TRP 37 -3.952 -0.512 -16.840 980 2HB TRP 37 2HB TRP 37 -3.308 1.125 -16.957 981 HD1 TRP 37 HD1 TRP 37 -2.260 -2.281 -16.180 982 HE1 TRP 37 HE1 TRP 37 0.016 -2.305 -14.971 983 HE3 TRP 37 HE3 TRP 37 -1.876 2.655 -14.930 984 HZ2 TRP 37 HZ2 TRP 37 1.769 -0.471 -13.647 985 HZ3 TRP 37 HZ3 TRP 37 0.105 3.490 -13.696 986 HH2 TRP 37 HH2 TRP 37 1.927 1.935 -13.054 987 H THR 38 H THR 38 -5.686 2.807 -14.360 988 HA THR 38 HA THR 38 -7.602 2.809 -16.656 989 HB THR 38 HB THR 38 -8.191 2.912 -13.680 990 HG1 THR 38 HG1 THR 38 -8.875 1.129 -15.774 991 1HG2 THR 38 1HG2 THR 38 -9.561 4.238 -15.743 992 2HG2 THR 38 2HG2 THR 38 -10.153 3.922 -14.113 993 3HG2 THR 38 3HG2 THR 38 -10.508 2.787 -15.415 994 H GLY 39 H GLY 39 -8.438 4.934 -17.126 995 1HA GLY 39 1HA GLY 39 -7.738 7.226 -15.475 996 2HA GLY 39 2HA GLY 39 -6.745 7.117 -16.928 997 H HIS 40 H HIS 40 -8.502 9.275 -16.525 998 HA HIS 40 HA HIS 40 -10.209 10.463 -17.647 999 1HB HIS 40 1HB HIS 40 -9.722 8.275 -19.692 1000 2HB HIS 40 2HB HIS 40 -10.383 9.877 -20.010 1001 HD1 HIS 40 HD1 HIS 40 -7.562 8.551 -21.040 1002 HD2 HIS 40 HD2 HIS 40 -8.080 11.538 -18.179 1003 HE1 HIS 40 HE1 HIS 40 -5.371 9.817 -20.922 1004 H ASN 41 H ASN 41 -12.174 9.293 -19.458 1005 HA ASN 41 HA ASN 41 -14.049 8.244 -17.467 1006 1HB ASN 41 1HB ASN 41 -14.370 9.860 -19.512 1007 2HB ASN 41 2HB ASN 41 -14.501 8.367 -20.441 1008 1HD2 ASN 41 1HD2 ASN 41 -16.139 10.429 -18.127 1009 2HD2 ASN 41 2HD2 ASN 41 -17.568 9.517 -18.031 1010 H VAL 42 H VAL 42 -13.745 6.105 -16.898 1011 HA VAL 42 HA VAL 42 -14.239 4.001 -18.803 1012 HB VAL 42 HB VAL 42 -12.017 4.621 -19.585 1013 1HG1 VAL 42 1HG1 VAL 42 -10.086 4.587 -18.047 1014 2HG1 VAL 42 2HG1 VAL 42 -11.166 4.224 -16.701 1015 3HG1 VAL 42 3HG1 VAL 42 -11.283 5.775 -17.531 1016 1HG2 VAL 42 1HG2 VAL 42 -11.076 2.315 -18.082 1017 2HG2 VAL 42 2HG2 VAL 42 -11.440 2.447 -19.802 1018 3HG2 VAL 42 3HG2 VAL 42 -12.725 2.068 -18.656 1019 H LYS 43 H LYS 43 -14.338 1.918 -17.725 1020 HA LYS 43 HA LYS 43 -14.383 2.152 -14.747 1021 1HB LYS 43 1HB LYS 43 -15.669 0.265 -16.742 1022 2HB LYS 43 2HB LYS 43 -15.852 0.118 -14.994 1023 1HG LYS 43 1HG LYS 43 -17.063 2.117 -14.820 1024 2HG LYS 43 2HG LYS 43 -16.454 2.730 -16.358 1025 1HD LYS 43 1HD LYS 43 -18.428 2.021 -17.216 1026 2HD LYS 43 2HD LYS 43 -17.726 0.406 -17.119 1027 1HE LYS 43 1HE LYS 43 -18.627 0.270 -14.741 1028 2HE LYS 43 2HE LYS 43 -19.538 1.753 -15.093 1029 1HZ LYS 43 1HZ LYS 43 -21.015 0.197 -15.844 1030 2HZ LYS 43 2HZ LYS 43 -19.808 -0.918 -16.274 1031 3HZ LYS 43 3HZ LYS 43 -20.115 0.428 -17.263 1032 H HIS 44 H HIS 44 -13.571 0.307 -13.496 1033 HA HIS 44 HA HIS 44 -10.965 -0.538 -14.064 1034 1HB HIS 44 1HB HIS 44 -11.748 -0.802 -11.871 1035 2HB HIS 44 2HB HIS 44 -13.250 -1.561 -12.397 1036 HD1 HIS 44 HD1 HIS 44 -13.265 -4.088 -12.659 1037 HD2 HIS 44 HD2 HIS 44 -9.443 -2.577 -11.970 1038 HE1 HIS 44 HE1 HIS 44 -11.766 -6.089 -12.257 1039 H LYS 45 H LYS 45 -10.219 -2.804 -14.586 1040 HA LYS 45 HA LYS 45 -12.072 -4.478 -16.167 1041 1HB LYS 45 1HB LYS 45 -10.325 -2.468 -17.287 1042 2HB LYS 45 2HB LYS 45 -9.829 -4.066 -17.845 1043 1HG LYS 45 1HG LYS 45 -12.174 -4.537 -18.517 1044 2HG LYS 45 2HG LYS 45 -12.624 -2.905 -18.021 1045 1HD LYS 45 1HD LYS 45 -11.167 -1.924 -19.682 1046 2HD LYS 45 2HD LYS 45 -10.491 -3.502 -20.087 1047 1HE LYS 45 1HE LYS 45 -13.316 -3.740 -20.345 1048 2HE LYS 45 2HE LYS 45 -12.833 -2.252 -21.186 1049 1HZ LYS 45 1HZ LYS 45 -11.137 -4.625 -21.467 1050 2HZ LYS 45 2HZ LYS 45 -11.425 -3.366 -22.571 1051 3HZ LYS 45 3HZ LYS 45 -12.588 -4.584 -22.343 1052 H SER 46 H SER 46 -8.530 -4.201 -16.383 1053 HA SER 46 HA SER 46 -8.245 -7.049 -15.708 1054 1HB SER 46 1HB SER 46 -5.881 -5.281 -15.972 1055 2HB SER 46 2HB SER 46 -6.242 -6.798 -16.788 1056 HG SER 46 HG SER 46 -7.037 -5.697 -18.385 1057 H ALA 47 H ALA 47 -9.183 -6.473 -13.430 1058 HA ALA 47 HA ALA 47 -7.954 -4.977 -11.446 1059 1HB ALA 47 1HB ALA 47 -9.531 -6.098 -10.283 1060 2HB ALA 47 2HB ALA 47 -9.775 -7.137 -11.687 1061 3HB ALA 47 3HB ALA 47 -8.616 -7.597 -10.438 1062 H ILE 48 H ILE 48 -6.123 -5.194 -10.148 1063 HA ILE 48 HA ILE 48 -4.416 -7.624 -10.480 1064 HB ILE 48 HB ILE 48 -3.680 -4.726 -10.977 1065 1HG1 ILE 48 1HG1 ILE 48 -3.100 -7.081 -12.756 1066 2HG1 ILE 48 2HG1 ILE 48 -4.704 -6.346 -12.768 1067 1HG2 ILE 48 1HG2 ILE 48 -2.011 -6.150 -9.575 1068 2HG2 ILE 48 2HG2 ILE 48 -1.398 -5.299 -10.993 1069 3HG2 ILE 48 3HG2 ILE 48 -1.738 -7.028 -11.080 1070 1HD1 ILE 48 1HD1 ILE 48 -2.125 -4.804 -13.167 1071 2HD1 ILE 48 2HD1 ILE 48 -3.766 -4.179 -13.338 1072 3HD1 ILE 48 3HD1 ILE 48 -3.153 -5.371 -14.484 1073 H VAL 49 H VAL 49 -3.501 -8.216 -8.524 1074 HA VAL 49 HA VAL 49 -3.849 -6.330 -6.226 1075 HB VAL 49 HB VAL 49 -3.472 -9.340 -6.357 1076 1HG1 VAL 49 1HG1 VAL 49 -2.733 -8.742 -4.218 1077 2HG1 VAL 49 2HG1 VAL 49 -4.455 -9.018 -3.948 1078 3HG1 VAL 49 3HG1 VAL 49 -3.841 -7.373 -4.113 1079 1HG2 VAL 49 1HG2 VAL 49 -5.758 -9.561 -6.353 1080 2HG2 VAL 49 2HG2 VAL 49 -5.678 -7.992 -7.154 1081 3HG2 VAL 49 3HG2 VAL 49 -6.001 -8.082 -5.422 1082 H THR 50 H THR 50 -2.094 -6.336 -4.598 1083 HA THR 50 HA THR 50 0.566 -7.272 -5.556 1084 HB THR 50 HB THR 50 -0.263 -4.426 -4.914 1085 HG1 THR 50 HG1 THR 50 0.364 -4.073 -7.008 1086 1HG2 THR 50 1HG2 THR 50 2.293 -4.127 -5.585 1087 2HG2 THR 50 2HG2 THR 50 2.411 -5.760 -4.927 1088 3HG2 THR 50 3HG2 THR 50 1.819 -4.441 -3.916 1089 H LEU 51 H LEU 51 2.181 -7.220 -3.770 1090 HA LEU 51 HA LEU 51 0.968 -6.955 -1.047 1091 1HB LEU 51 1HB LEU 51 2.396 -9.277 -2.343 1092 2HB LEU 51 2HB LEU 51 2.366 -9.101 -0.589 1093 HG LEU 51 HG LEU 51 -0.279 -8.651 -1.366 1094 1HD1 LEU 51 1HD1 LEU 51 -0.058 -9.522 -3.556 1095 2HD1 LEU 51 2HD1 LEU 51 -0.665 -10.886 -2.616 1096 3HD1 LEU 51 3HD1 LEU 51 1.046 -10.794 -3.030 1097 1HD2 LEU 51 1HD2 LEU 51 -0.716 -10.622 -0.092 1098 2HD2 LEU 51 2HD2 LEU 51 0.754 -9.937 0.600 1099 3HD2 LEU 51 3HD2 LEU 51 0.853 -11.317 -0.494 1100 H THR 52 H THR 52 2.328 -5.917 0.376 1101 HA THR 52 HA THR 52 5.020 -5.126 -0.609 1102 HB THR 52 HB THR 52 4.511 -3.894 1.834 1103 HG1 THR 52 HG1 THR 52 2.103 -3.995 0.355 1104 1HG2 THR 52 1HG2 THR 52 3.548 -2.856 -0.835 1105 2HG2 THR 52 2HG2 THR 52 5.261 -2.964 -0.426 1106 3HG2 THR 52 3HG2 THR 52 4.191 -1.932 0.522 1107 H TYR 53 H TYR 53 6.822 -6.124 0.170 1108 HA TYR 53 HA TYR 53 6.575 -7.727 2.697 1109 1HB TYR 53 1HB TYR 53 8.090 -8.093 0.105 1110 2HB TYR 53 2HB TYR 53 8.524 -8.992 1.560 1111 HD1 TYR 53 HD1 TYR 53 6.096 -8.604 -1.136 1112 HD2 TYR 53 HD2 TYR 53 6.870 -10.533 2.625 1113 HE1 TYR 53 HE1 TYR 53 4.257 -10.210 -1.580 1114 HE2 TYR 53 HE2 TYR 53 5.032 -12.138 2.180 1115 HH TYR 53 HH TYR 53 3.448 -12.303 -0.925 1116 H ASP 54 H ASP 54 8.366 -7.600 4.165 1117 HA ASP 54 HA ASP 54 10.049 -5.157 3.817 1118 1HB ASP 54 1HB ASP 54 8.432 -5.773 5.810 1119 2HB ASP 54 2HB ASP 54 9.786 -6.772 6.338 1120 H SER 55 H SER 55 10.210 -8.608 3.842 1121 HA SER 55 HA SER 55 13.205 -8.457 3.944 1122 1HB SER 55 1HB SER 55 11.392 -10.656 4.983 1123 2HB SER 55 2HB SER 55 13.143 -10.579 5.154 1124 HG SER 55 HG SER 55 12.686 -8.482 6.231 1125 H GLU 56 H GLU 56 14.185 -9.380 2.171 1126 HA GLU 56 HA GLU 56 12.749 -10.227 -0.124 1127 1HB GLU 56 1HB GLU 56 15.565 -10.585 0.907 1128 2HB GLU 56 2HB GLU 56 15.083 -11.240 -0.659 1129 1HG GLU 56 1HG GLU 56 14.174 -8.875 -1.157 1130 2HG GLU 56 2HG GLU 56 15.136 -8.356 0.226 1131 H TRP 57 H TRP 57 14.447 -12.222 2.322 1132 HA TRP 57 HA TRP 57 13.885 -14.778 1.292 1133 1HB TRP 57 1HB TRP 57 15.166 -13.765 3.428 1134 2HB TRP 57 2HB TRP 57 13.693 -14.307 4.232 1135 HD1 TRP 57 HD1 TRP 57 13.350 -16.792 2.061 1136 HE1 TRP 57 HE1 TRP 57 14.778 -18.898 2.478 1137 HE3 TRP 57 HE3 TRP 57 16.961 -14.822 5.087 1138 HZ2 TRP 57 HZ2 TRP 57 17.142 -19.647 3.908 1139 HZ3 TRP 57 HZ3 TRP 57 18.787 -16.250 5.962 1140 HH2 TRP 57 HH2 TRP 57 18.882 -18.658 5.376 1141 H GLN 58 H GLN 58 11.882 -12.774 3.465 1142 HA GLN 58 HA GLN 58 9.792 -14.620 3.948 1143 1HB GLN 58 1HB GLN 58 10.228 -12.393 5.027 1144 2HB GLN 58 2HB GLN 58 9.610 -11.615 3.571 1145 1HG GLN 58 1HG GLN 58 7.426 -12.391 3.925 1146 2HG GLN 58 2HG GLN 58 7.960 -13.693 4.990 1147 1HE2 GLN 58 1HE2 GLN 58 6.028 -11.333 5.453 1148 2HE2 GLN 58 2HE2 GLN 58 6.607 -10.602 6.872 1149 H ARG 59 H ARG 59 10.105 -12.221 1.299 1150 HA ARG 59 HA ARG 59 7.609 -12.721 0.034 1151 1HB ARG 59 1HB ARG 59 9.095 -10.842 -0.481 1152 2HB ARG 59 2HB ARG 59 10.323 -11.953 -1.089 1153 1HG ARG 59 1HG ARG 59 8.785 -12.703 -2.860 1154 2HG ARG 59 2HG ARG 59 7.541 -11.614 -2.249 1155 1HD ARG 59 1HD ARG 59 8.497 -9.795 -3.238 1156 2HD ARG 59 2HD ARG 59 10.134 -10.297 -2.767 1157 HE ARG 59 HE ARG 59 8.867 -10.902 -5.298 1158 1HH1 ARG 59 1HH2 ARG 59 11.664 -11.212 -3.521 1159 2HH1 ARG 59 2HH2 ARG 59 12.194 -12.689 -4.256 1160 1HH2 ARG 59 1HH1 ARG 59 9.223 -13.212 -5.965 1161 2HH2 ARG 59 2HH1 ARG 59 10.810 -13.821 -5.641 1162 H ASP 60 H ASP 60 10.767 -14.331 -0.369 1163 HA ASP 60 HA ASP 60 10.068 -16.037 -2.544 1164 1HB ASP 60 1HB ASP 60 11.999 -16.257 -0.219 1165 2HB ASP 60 2HB ASP 60 11.974 -17.414 -1.550 1166 H GLN 61 H GLN 61 9.598 -16.395 0.964 1167 HA GLN 61 HA GLN 61 8.777 -19.147 0.937 1168 1HB GLN 61 1HB GLN 61 8.264 -16.782 2.758 1169 2HB GLN 61 2HB GLN 61 7.710 -18.413 3.144 1170 1HG GLN 61 1HG GLN 61 9.971 -19.260 3.137 1171 2HG GLN 61 2HG GLN 61 10.593 -17.734 2.506 1172 1HE2 GLN 61 1HE2 GLN 61 11.344 -16.285 4.065 1173 2HE2 GLN 61 2HE2 GLN 61 10.934 -16.331 5.711 1174 H PHE 62 H PHE 62 6.895 -16.106 0.799 1175 HA PHE 62 HA PHE 62 4.288 -17.187 0.811 1176 1HB PHE 62 1HB PHE 62 4.675 -14.833 0.996 1177 2HB PHE 62 2HB PHE 62 5.557 -14.789 -0.531 1178 HD1 PHE 62 HD1 PHE 62 2.351 -14.445 1.043 1179 HD2 PHE 62 HD2 PHE 62 4.265 -15.441 -2.673 1180 HE1 PHE 62 HE1 PHE 62 0.236 -13.986 -0.170 1181 HE2 PHE 62 HE2 PHE 62 2.149 -14.984 -3.885 1182 HZ PHE 62 HZ PHE 62 0.135 -14.257 -2.634 1183 H LEU 63 H LEU 63 6.422 -16.571 -2.001 1184 HA LEU 63 HA LEU 63 4.630 -17.411 -4.039 1185 1HB LEU 63 1HB LEU 63 7.640 -17.431 -3.730 1186 2HB LEU 63 2HB LEU 63 6.845 -17.839 -5.251 1187 HG LEU 63 HG LEU 63 6.334 -15.256 -3.757 1188 1HD1 LEU 63 1HD1 LEU 63 7.812 -14.991 -6.238 1189 2HD1 LEU 63 2HD1 LEU 63 8.693 -16.008 -5.097 1190 3HD1 LEU 63 3HD1 LEU 63 8.212 -14.374 -4.635 1191 1HD2 LEU 63 1HD2 LEU 63 5.446 -16.498 -6.322 1192 2HD2 LEU 63 2HD2 LEU 63 5.746 -14.760 -6.330 1193 3HD2 LEU 63 3HD2 LEU 63 4.560 -15.445 -5.219 1194 H SER 64 H SER 64 6.442 -19.282 -1.716 1195 HA SER 64 HA SER 64 6.109 -21.796 -3.258 1196 1HB SER 64 1HB SER 64 7.585 -22.692 -1.580 1197 2HB SER 64 2HB SER 64 8.191 -21.087 -1.980 1198 HG SER 64 HG SER 64 8.098 -21.082 0.190 1199 H GLN 65 H GLN 65 4.563 -20.037 -0.693 1200 HA GLN 65 HA GLN 65 3.116 -22.439 0.287 1201 1HB GLN 65 1HB GLN 65 2.956 -19.530 1.138 1202 2HB GLN 65 2HB GLN 65 2.413 -20.934 2.058 1203 1HG GLN 65 1HG GLN 65 4.608 -21.649 2.503 1204 2HG GLN 65 2HG GLN 65 5.284 -20.707 1.176 1205 1HE2 GLN 65 1HE2 GLN 65 4.478 -20.641 4.551 1206 2HE2 GLN 65 2HE2 GLN 65 4.886 -19.017 4.832 1207 H VAL 66 H VAL 66 2.760 -20.006 -2.057 1208 HA VAL 66 HA VAL 66 -0.226 -20.229 -1.998 1209 HB VAL 66 HB VAL 66 -0.157 -18.113 -3.231 1210 1HG1 VAL 66 1HG1 VAL 66 1.770 -18.150 -0.888 1211 2HG1 VAL 66 2HG1 VAL 66 0.016 -18.001 -0.781 1212 3HG1 VAL 66 3HG1 VAL 66 0.966 -16.714 -1.521 1213 1HG2 VAL 66 1HG2 VAL 66 2.632 -18.963 -3.637 1214 2HG2 VAL 66 2HG2 VAL 66 2.469 -17.264 -3.195 1215 3HG2 VAL 66 3HG2 VAL 66 1.632 -17.890 -4.616 1216 H LYS 67 H LYS 67 -0.796 -21.906 -3.355 1217 HA LYS 67 HA LYS 67 0.763 -22.827 -5.586 1218 1HB LYS 67 1HB LYS 67 -0.854 -24.204 -4.379 1219 2HB LYS 67 2HB LYS 67 -2.166 -23.118 -4.841 1220 1HG LYS 67 1HG LYS 67 -2.353 -24.834 -6.428 1221 2HG LYS 67 2HG LYS 67 -1.395 -23.627 -7.284 1222 1HD LYS 67 1HD LYS 67 0.671 -24.802 -6.680 1223 2HD LYS 67 2HD LYS 67 -0.255 -25.990 -5.761 1224 1HE LYS 67 1HE LYS 67 -0.220 -27.178 -7.722 1225 2HE LYS 67 2HE LYS 67 -1.518 -26.073 -8.210 1226 1HZ LYS 67 1HZ LYS 67 0.135 -24.534 -9.046 1227 2HZ LYS 67 2HZ LYS 67 0.323 -26.044 -9.801 1228 3HZ LYS 67 3HZ LYS 67 1.390 -25.569 -8.568 1229 H ILE 68 H ILE 68 1.158 -21.417 -7.277 1230 HA ILE 68 HA ILE 68 -0.929 -19.532 -8.181 1231 HB ILE 68 HB ILE 68 1.953 -20.122 -8.894 1232 1HG1 ILE 68 1HG1 ILE 68 1.561 -18.931 -6.781 1233 2HG1 ILE 68 2HG1 ILE 68 2.270 -17.835 -7.968 1234 1HG2 ILE 68 1HG2 ILE 68 1.432 -17.741 -10.103 1235 2HG2 ILE 68 2HG2 ILE 68 -0.103 -18.571 -10.359 1236 3HG2 ILE 68 3HG2 ILE 68 1.397 -19.289 -10.946 1237 1HD1 ILE 68 1HD1 ILE 68 -0.347 -17.720 -6.672 1238 2HD1 ILE 68 2HD1 ILE 68 -0.461 -17.606 -8.428 1239 3HD1 ILE 68 3HD1 ILE 68 0.534 -16.458 -7.532 1240 HA PRO 69 HA PRO 69 -2.503 -22.471 -11.113 1241 1HB PRO 69 1HB PRO 69 -3.784 -20.680 -12.746 1242 2HB PRO 69 2HB PRO 69 -4.449 -21.228 -11.195 1243 1HG PRO 69 1HG PRO 69 -3.026 -18.701 -11.857 1244 2HG PRO 69 2HG PRO 69 -4.418 -18.972 -10.797 1245 1HD PRO 69 1HD PRO 69 -1.890 -18.622 -9.868 1246 2HD PRO 69 2HD PRO 69 -3.117 -19.585 -9.019 1247 H LYS 70 H LYS 70 -2.768 -21.647 -13.883 1248 HA LYS 70 HA LYS 70 0.133 -21.406 -14.598 1249 1HB LYS 70 1HB LYS 70 -0.800 -22.536 -16.755 1250 2HB LYS 70 2HB LYS 70 -0.662 -23.515 -15.295 1251 1HG LYS 70 1HG LYS 70 -2.856 -23.816 -16.433 1252 2HG LYS 70 2HG LYS 70 -3.032 -23.176 -14.800 1253 1HD LYS 70 1HD LYS 70 -3.486 -20.985 -15.588 1254 2HD LYS 70 2HD LYS 70 -2.875 -21.351 -17.201 1255 1HE LYS 70 1HE LYS 70 -4.766 -23.001 -17.472 1256 2HE LYS 70 2HE LYS 70 -5.430 -22.398 -15.940 1257 1HZ LYS 70 1HZ LYS 70 -6.130 -21.256 -18.139 1258 2HZ LYS 70 2HZ LYS 70 -4.611 -20.501 -18.040 1259 3HZ LYS 70 3HZ LYS 70 -5.748 -20.296 -16.794 1260 H THR 71 H THR 71 -1.440 -19.059 -14.128 1261 HA THR 71 HA THR 71 -1.200 -17.779 -16.789 1262 HB THR 71 HB THR 71 -3.676 -16.873 -15.946 1263 HG1 THR 71 HG1 THR 71 -4.781 -18.602 -15.212 1264 1HG2 THR 71 1HG2 THR 71 -3.063 -17.492 -18.237 1265 2HG2 THR 71 2HG2 THR 71 -4.549 -18.315 -17.763 1266 3HG2 THR 71 3HG2 THR 71 -3.022 -19.195 -17.781 1267 H ILE 72 H ILE 72 -1.287 -17.571 -13.332 1268 HA ILE 72 HA ILE 72 -1.260 -14.606 -13.336 1269 HB ILE 72 HB ILE 72 -1.311 -16.772 -11.218 1270 1HG1 ILE 72 1HG1 ILE 72 -3.367 -14.623 -11.564 1271 2HG1 ILE 72 2HG1 ILE 72 -3.338 -15.941 -12.737 1272 1HG2 ILE 72 1HG2 ILE 72 -1.675 -13.859 -10.595 1273 2HG2 ILE 72 2HG2 ILE 72 -0.041 -14.513 -10.700 1274 3HG2 ILE 72 3HG2 ILE 72 -1.182 -15.174 -9.528 1275 1HD1 ILE 72 1HD1 ILE 72 -4.339 -15.954 -10.031 1276 2HD1 ILE 72 2HD1 ILE 72 -3.053 -17.150 -10.201 1277 3HD1 ILE 72 3HD1 ILE 72 -4.461 -17.209 -11.263 1278 H THR 73 H THR 73 0.779 -13.936 -14.053 1279 HA THR 73 HA THR 73 3.209 -15.299 -13.017 1280 HB THR 73 HB THR 73 2.709 -13.102 -15.055 1281 HG1 THR 73 HG1 THR 73 3.567 -15.769 -15.440 1282 1HG2 THR 73 1HG2 THR 73 4.954 -12.949 -13.992 1283 2HG2 THR 73 2HG2 THR 73 5.050 -13.398 -15.694 1284 3HG2 THR 73 3HG2 THR 73 5.258 -14.626 -14.445 1285 H VAL 74 H VAL 74 4.972 -13.884 -12.129 1286 HA VAL 74 HA VAL 74 3.968 -11.344 -10.900 1287 HB VAL 74 HB VAL 74 5.369 -13.593 -9.427 1288 1HG1 VAL 74 1HG1 VAL 74 5.184 -10.929 -8.786 1289 2HG1 VAL 74 2HG1 VAL 74 5.361 -12.232 -7.609 1290 3HG1 VAL 74 3HG1 VAL 74 3.760 -11.592 -7.983 1291 1HG2 VAL 74 1HG2 VAL 74 2.948 -13.618 -8.341 1292 2HG2 VAL 74 2HG2 VAL 74 3.277 -14.536 -9.810 1293 3HG2 VAL 74 3HG2 VAL 74 2.476 -12.968 -9.910 1294 H SER 75 H SER 75 5.435 -9.774 -11.002 1295 HA SER 75 HA SER 75 8.254 -10.411 -11.768 1296 1HB SER 75 1HB SER 75 6.337 -8.634 -12.712 1297 2HB SER 75 2HB SER 75 7.387 -7.609 -11.739 1298 HG SER 75 HG SER 75 8.456 -9.494 -13.543 1299 H THR 76 H THR 76 9.806 -8.561 -10.825 1300 HA THR 76 HA THR 76 9.280 -8.412 -7.873 1301 HB THR 76 HB THR 76 11.944 -8.103 -8.105 1302 HG1 THR 76 HG1 THR 76 12.719 -9.020 -9.888 1303 1HG2 THR 76 1HG2 THR 76 11.949 -10.122 -7.097 1304 2HG2 THR 76 2HG2 THR 76 11.263 -10.913 -8.517 1305 3HG2 THR 76 3HG2 THR 76 10.204 -10.129 -7.344 1306 H GLY 77 H GLY 77 9.810 -6.396 -6.810 1307 1HA GLY 77 1HA GLY 77 10.792 -4.143 -8.413 1308 2HA GLY 77 2HA GLY 77 9.106 -4.002 -7.909 1309 H PHE 78 H PHE 78 10.839 -2.108 -6.964 1310 HA PHE 78 HA PHE 78 10.893 -2.732 -4.054 1311 1HB PHE 78 1HB PHE 78 13.258 -1.661 -5.630 1312 2HB PHE 78 2HB PHE 78 13.232 -2.026 -3.904 1313 HD1 PHE 78 HD1 PHE 78 13.671 -3.361 -7.236 1314 HD2 PHE 78 HD2 PHE 78 12.810 -4.421 -3.161 1315 HE1 PHE 78 HE1 PHE 78 14.270 -5.718 -7.723 1316 HE2 PHE 78 HE2 PHE 78 13.409 -6.779 -3.649 1317 HZ PHE 78 HZ PHE 78 14.139 -7.427 -5.931 1318 H MET 79 H MET 79 9.998 -0.992 -3.001 1319 HA MET 79 HA MET 79 9.818 1.608 -4.452 1320 1HB MET 79 1HB MET 79 8.095 0.000 -2.872 1321 2HB MET 79 2HB MET 79 8.402 1.466 -1.941 1322 1HG MET 79 1HG MET 79 7.167 2.729 -3.348 1323 2HG MET 79 2HG MET 79 7.949 2.036 -4.768 1324 1HE MET 79 1HE MET 79 4.955 2.777 -3.258 1325 2HE MET 79 2HE MET 79 4.886 2.757 -5.018 1326 3HE MET 79 3HE MET 79 3.780 1.749 -4.075 1327 H SER 80 H SER 80 9.939 3.572 -2.890 1328 HA SER 80 HA SER 80 11.946 3.174 -0.718 1329 1HB SER 80 1HB SER 80 12.525 5.530 -2.302 1330 2HB SER 80 2HB SER 80 13.576 4.169 -1.925 1331 HG SER 80 HG SER 80 13.090 4.471 -4.199 1332 H ILE 81 H ILE 81 10.700 3.944 0.979 1333 HA ILE 81 HA ILE 81 9.814 6.773 0.841 1334 HB ILE 81 HB ILE 81 7.530 6.168 1.470 1335 1HG1 ILE 81 1HG1 ILE 81 8.166 3.255 1.089 1336 2HG1 ILE 81 2HG1 ILE 81 8.480 4.005 2.654 1337 1HG2 ILE 81 1HG2 ILE 81 6.820 5.178 -0.601 1338 2HG2 ILE 81 2HG2 ILE 81 8.376 4.378 -0.821 1339 3HG2 ILE 81 3HG2 ILE 81 8.259 6.132 -0.964 1340 1HD1 ILE 81 1HD1 ILE 81 6.265 4.230 3.136 1341 2HD1 ILE 81 2HD1 ILE 81 6.066 2.957 1.931 1342 3HD1 ILE 81 3HD1 ILE 81 5.846 4.646 1.475 Start of MODEL 17 1 1H MET 1 1H MET 1 35.829 0.252 -9.098 2 2H MET 1 2H MET 1 35.454 1.896 -8.884 3 3H MET 1 3H MET 1 34.896 1.066 -10.257 4 HA MET 1 HA MET 1 33.484 -0.338 -8.864 5 1HB MET 1 1HB MET 1 34.936 1.308 -6.787 6 2HB MET 1 2HB MET 1 33.415 0.496 -6.411 7 1HG MET 1 1HG MET 1 34.329 -1.642 -6.733 8 2HG MET 1 2HG MET 1 35.671 -1.027 -7.697 9 1HE MET 1 1HE MET 1 34.794 -0.933 -3.325 10 2HE MET 1 2HE MET 1 33.936 -1.624 -4.700 11 3HE MET 1 3HE MET 1 35.273 -2.507 -3.952 12 H THR 2 H THR 2 31.718 0.969 -7.174 13 HA THR 2 HA THR 2 30.995 3.466 -8.673 14 HB THR 2 HB THR 2 29.265 1.149 -7.745 15 HG1 THR 2 HG1 THR 2 30.381 0.774 -9.667 16 1HG2 THR 2 1HG2 THR 2 27.373 2.355 -8.612 17 2HG2 THR 2 2HG2 THR 2 28.215 3.437 -7.503 18 3HG2 THR 2 3HG2 THR 2 28.408 3.634 -9.244 19 HA PRO 3 HA PRO 3 30.770 4.888 -4.489 20 1HB PRO 3 1HB PRO 3 30.076 7.481 -5.000 21 2HB PRO 3 2HB PRO 3 31.726 6.863 -5.223 22 1HG PRO 3 1HG PRO 3 29.617 7.398 -7.241 23 2HG PRO 3 2HG PRO 3 31.371 7.609 -7.352 24 1HD PRO 3 1HD PRO 3 29.989 5.503 -8.445 25 2HD PRO 3 2HD PRO 3 31.709 5.462 -8.021 26 H ILE 4 H ILE 4 29.076 5.755 -3.022 27 HA ILE 4 HA ILE 4 26.312 5.795 -4.141 28 HB ILE 4 HB ILE 4 25.739 4.232 -2.163 29 1HG1 ILE 4 1HG1 ILE 4 28.735 3.776 -2.366 30 2HG1 ILE 4 2HG1 ILE 4 27.899 4.494 -0.988 31 1HG2 ILE 4 1HG2 ILE 4 27.480 2.695 -3.999 32 2HG2 ILE 4 2HG2 ILE 4 25.762 2.503 -3.651 33 3HG2 ILE 4 3HG2 ILE 4 26.299 3.743 -4.785 34 1HD1 ILE 4 1HD1 ILE 4 28.205 1.683 -1.694 35 2HD1 ILE 4 2HD1 ILE 4 27.673 2.401 -0.174 36 3HD1 ILE 4 3HD1 ILE 4 26.511 2.117 -1.469 37 H VAL 5 H VAL 5 24.749 6.654 -2.496 38 HA VAL 5 HA VAL 5 25.996 8.134 -0.230 39 HB VAL 5 HB VAL 5 24.500 9.280 -2.599 40 1HG1 VAL 5 1HG1 VAL 5 24.512 11.434 -1.366 41 2HG1 VAL 5 2HG1 VAL 5 23.524 10.222 -0.551 42 3HG1 VAL 5 3HG1 VAL 5 25.135 10.600 0.058 43 1HG2 VAL 5 1HG2 VAL 5 26.727 9.446 -3.156 44 2HG2 VAL 5 2HG2 VAL 5 26.606 10.900 -2.165 45 3HG2 VAL 5 3HG2 VAL 5 27.257 9.413 -1.474 46 H HIS 6 H HIS 6 24.668 7.976 1.540 47 HA HIS 6 HA HIS 6 21.860 7.046 1.106 48 1HB HIS 6 1HB HIS 6 24.040 6.525 2.983 49 2HB HIS 6 2HB HIS 6 22.518 6.858 3.809 50 HD1 HIS 6 HD1 HIS 6 22.486 4.272 4.463 51 HD2 HIS 6 HD2 HIS 6 22.139 5.070 0.386 52 HE1 HIS 6 HE1 HIS 6 21.670 2.133 3.382 53 H LEU 7 H LEU 7 20.160 8.320 1.787 54 HA LEU 7 HA LEU 7 20.815 10.827 3.306 55 1HB LEU 7 1HB LEU 7 19.162 11.936 1.889 56 2HB LEU 7 2HB LEU 7 20.324 11.104 0.854 57 HG LEU 7 HG LEU 7 18.524 9.116 1.195 58 1HD1 LEU 7 1HD1 LEU 7 16.267 10.010 1.142 59 2HD1 LEU 7 2HD1 LEU 7 17.081 10.637 2.575 60 3HD1 LEU 7 3HD1 LEU 7 16.880 11.664 1.155 61 1HD2 LEU 7 1HD2 LEU 7 17.551 10.886 -0.885 62 2HD2 LEU 7 2HD2 LEU 7 19.315 10.886 -0.851 63 3HD2 LEU 7 3HD2 LEU 7 18.437 9.369 -1.045 64 H LYS 8 H LYS 8 19.369 11.315 5.002 65 HA LYS 8 HA LYS 8 17.011 9.492 5.322 66 1HB LYS 8 1HB LYS 8 18.684 8.541 6.695 67 2HB LYS 8 2HB LYS 8 19.299 10.120 7.185 68 1HG LYS 8 1HG LYS 8 18.036 9.174 9.034 69 2HG LYS 8 2HG LYS 8 17.130 10.535 8.372 70 1HD LYS 8 1HD LYS 8 16.042 8.653 6.856 71 2HD LYS 8 2HD LYS 8 16.553 7.603 8.178 72 1HE LYS 8 1HE LYS 8 15.303 8.951 9.794 73 2HE LYS 8 2HE LYS 8 14.859 10.106 8.521 74 1HZ LYS 8 1HZ LYS 8 13.090 8.746 8.291 75 2HZ LYS 8 2HZ LYS 8 13.871 7.414 9.000 76 3HZ LYS 8 3HZ LYS 8 14.167 7.808 7.374 77 H GLY 9 H GLY 9 15.322 10.357 6.620 78 1HA GLY 9 1HA GLY 9 15.135 12.680 8.082 79 2HA GLY 9 2HA GLY 9 14.999 13.243 6.414 80 H ASP 10 H ASP 10 12.758 13.744 7.643 81 HA ASP 10 HA ASP 10 10.880 11.598 7.983 82 1HB ASP 10 1HB ASP 10 10.982 14.188 8.634 83 2HB ASP 10 2HB ASP 10 10.022 14.336 7.160 84 H ALA 11 H ALA 11 9.203 10.888 6.564 85 HA ALA 11 HA ALA 11 9.772 10.453 3.853 86 1HB ALA 11 1HB ALA 11 7.552 10.221 5.716 87 2HB ALA 11 2HB ALA 11 6.976 10.629 4.100 88 3HB ALA 11 3HB ALA 11 7.962 9.188 4.347 89 H ASN 12 H ASN 12 7.608 12.980 5.200 90 HA ASN 12 HA ASN 12 6.856 14.297 2.858 91 1HB ASN 12 1HB ASN 12 7.651 15.410 5.568 92 2HB ASN 12 2HB ASN 12 6.715 16.297 4.365 93 1HD2 ASN 12 2HD2 ASN 12 5.999 15.108 7.151 94 2HD2 ASN 12 1HD2 ASN 12 4.571 14.240 6.851 95 H THR 13 H THR 13 9.840 14.820 4.757 96 HA THR 13 HA THR 13 10.965 16.911 3.206 97 HB THR 13 HB THR 13 12.233 14.610 4.728 98 HG1 THR 13 HG1 THR 13 12.303 16.191 6.377 99 1HG2 THR 13 1HG2 THR 13 14.098 15.436 3.683 100 2HG2 THR 13 2HG2 THR 13 13.351 17.001 3.361 101 3HG2 THR 13 3HG2 THR 13 13.988 16.641 4.966 102 H LEU 14 H LEU 14 10.585 13.525 2.488 103 HA LEU 14 HA LEU 14 12.679 13.465 0.425 104 1HB LEU 14 1HB LEU 14 10.494 11.591 1.368 105 2HB LEU 14 2HB LEU 14 11.582 11.185 0.041 106 HG LEU 14 HG LEU 14 12.756 12.143 2.626 107 1HD1 LEU 14 1HD1 LEU 14 12.115 10.334 3.806 108 2HD1 LEU 14 2HD1 LEU 14 11.009 9.928 2.493 109 3HD1 LEU 14 3HD1 LEU 14 12.640 9.258 2.511 110 1HD2 LEU 14 1HD2 LEU 14 14.385 10.236 1.787 111 2HD2 LEU 14 2HD2 LEU 14 13.554 10.490 0.252 112 3HD2 LEU 14 3HD2 LEU 14 14.414 11.823 1.019 113 H LYS 15 H LYS 15 9.165 13.891 0.582 114 HA LYS 15 HA LYS 15 8.549 13.527 -2.178 115 1HB LYS 15 1HB LYS 15 7.109 13.869 -0.007 116 2HB LYS 15 2HB LYS 15 7.222 15.580 -0.421 117 1HG LYS 15 1HG LYS 15 6.348 15.047 -2.699 118 2HG LYS 15 2HG LYS 15 6.143 13.369 -2.195 119 1HD LYS 15 1HD LYS 15 4.940 15.043 -0.212 120 2HD LYS 15 2HD LYS 15 4.349 15.554 -1.793 121 1HE LYS 15 1HE LYS 15 3.502 13.382 -2.299 122 2HE LYS 15 2HE LYS 15 4.409 12.638 -0.966 123 1HZ LYS 15 1HZ LYS 15 2.312 14.719 -0.639 124 2HZ LYS 15 2HZ LYS 15 3.149 13.927 0.610 125 3HZ LYS 15 3HZ LYS 15 2.071 13.060 -0.376 126 H CYS 16 H CYS 16 9.728 16.370 -0.395 127 HA CYS 16 HA CYS 16 9.417 18.257 -2.554 128 1HB CYS 16 1HB CYS 16 10.220 18.165 0.164 129 2HB CYS 16 2HB CYS 16 11.543 18.915 -0.728 130 HG CYS 16 HG CYS 16 8.781 20.054 -1.437 131 H LEU 17 H LEU 17 12.294 16.475 -1.351 132 HA LEU 17 HA LEU 17 14.181 17.539 -3.181 133 1HB LEU 17 1HB LEU 17 13.967 14.776 -1.938 134 2HB LEU 17 2HB LEU 17 15.440 15.478 -2.608 135 HG LEU 17 HG LEU 17 13.853 16.794 -0.391 136 1HD1 LEU 17 1HD1 LEU 17 16.257 14.950 -0.221 137 2HD1 LEU 17 2HD1 LEU 17 15.635 15.914 1.119 138 3HD1 LEU 17 3HD1 LEU 17 14.645 14.632 0.421 139 1HD2 LEU 17 1HD2 LEU 17 16.204 17.456 -1.997 140 2HD2 LEU 17 2HD2 LEU 17 15.253 18.489 -0.929 141 3HD2 LEU 17 3HD2 LEU 17 16.550 17.492 -0.268 142 H ARG 18 H ARG 18 12.317 14.488 -3.467 143 HA ARG 18 HA ARG 18 13.165 13.559 -5.935 144 1HB ARG 18 1HB ARG 18 11.403 12.679 -4.285 145 2HB ARG 18 2HB ARG 18 10.256 13.729 -5.119 146 1HG ARG 18 1HG ARG 18 10.902 12.615 -7.276 147 2HG ARG 18 2HG ARG 18 11.882 11.483 -6.344 148 1HD ARG 18 1HD ARG 18 9.767 10.391 -6.663 149 2HD ARG 18 2HD ARG 18 9.729 11.000 -4.996 150 HE ARG 18 HE ARG 18 8.725 13.131 -6.355 151 1HH1 ARG 18 1HH2 ARG 18 7.049 11.007 -4.855 152 2HH1 ARG 18 2HH2 ARG 18 5.853 10.651 -6.058 153 1HH2 ARG 18 1HH1 ARG 18 7.626 12.137 -8.641 154 2HH2 ARG 18 2HH1 ARG 18 6.180 11.291 -8.200 155 H TYR 19 H TYR 19 10.989 16.289 -5.304 156 HA TYR 19 HA TYR 19 10.094 16.702 -7.997 157 1HB TYR 19 1HB TYR 19 9.115 17.662 -5.908 158 2HB TYR 19 2HB TYR 19 10.541 18.689 -5.744 159 HD1 TYR 19 HD1 TYR 19 7.516 18.010 -7.758 160 HD2 TYR 19 HD2 TYR 19 10.914 20.583 -7.210 161 HE1 TYR 19 HE1 TYR 19 6.511 19.668 -9.306 162 HE2 TYR 19 HE2 TYR 19 9.909 22.241 -8.756 163 HH TYR 19 HH TYR 19 6.843 22.394 -9.547 164 H ARG 20 H ARG 20 13.174 17.137 -6.554 165 HA ARG 20 HA ARG 20 14.008 19.174 -8.566 166 1HB ARG 20 1HB ARG 20 14.839 18.249 -5.884 167 2HB ARG 20 2HB ARG 20 16.172 18.644 -6.970 168 1HG ARG 20 1HG ARG 20 14.253 20.689 -7.317 169 2HG ARG 20 2HG ARG 20 14.384 20.433 -5.577 170 1HD ARG 20 1HD ARG 20 16.876 20.614 -5.775 171 2HD ARG 20 2HD ARG 20 16.671 21.013 -7.492 172 HE ARG 20 HE ARG 20 15.000 22.647 -5.748 173 1HH1 ARG 20 1HH1 ARG 20 18.069 22.734 -5.066 174 2HH1 ARG 20 2HH1 ARG 20 18.506 24.181 -5.909 175 1HH2 ARG 20 1HH2 ARG 20 15.570 24.313 -7.749 176 2HH2 ARG 20 2HH2 ARG 20 17.091 25.076 -7.428 177 H PHE 21 H PHE 21 14.581 15.819 -7.579 178 HA PHE 21 HA PHE 21 16.861 15.316 -9.257 179 1HB PHE 21 1HB PHE 21 14.679 13.442 -8.286 180 2HB PHE 21 2HB PHE 21 16.308 12.979 -8.772 181 HD1 PHE 21 HD1 PHE 21 17.125 15.903 -7.402 182 HD2 PHE 21 HD2 PHE 21 15.393 12.182 -6.127 183 HE1 PHE 21 HE1 PHE 21 17.935 16.316 -5.095 184 HE2 PHE 21 HE2 PHE 21 16.202 12.596 -3.820 185 HZ PHE 21 HZ PHE 21 17.473 14.663 -3.304 186 H LYS 22 H LYS 22 13.366 15.181 -9.827 187 HA LYS 22 HA LYS 22 13.411 13.777 -12.316 188 1HB LYS 22 1HB LYS 22 11.566 15.826 -11.064 189 2HB LYS 22 2HB LYS 22 11.181 14.998 -12.573 190 1HG LYS 22 1HG LYS 22 11.945 13.459 -10.093 191 2HG LYS 22 2HG LYS 22 10.279 13.953 -10.390 192 1HD LYS 22 1HD LYS 22 10.320 12.792 -12.569 193 2HD LYS 22 2HD LYS 22 11.983 12.290 -12.268 194 1HE LYS 22 1HE LYS 22 11.255 11.033 -10.266 195 2HE LYS 22 2HE LYS 22 9.579 11.532 -10.568 196 1HZ LYS 22 1HZ LYS 22 9.434 10.276 -12.447 197 2HZ LYS 22 2HZ LYS 22 10.535 9.313 -11.583 198 3HZ LYS 22 3HZ LYS 22 11.091 10.372 -12.789 199 H LYS 23 H LYS 23 13.514 17.283 -11.600 200 HA LYS 23 HA LYS 23 13.681 18.055 -14.401 201 1HB LYS 23 1HB LYS 23 14.261 19.470 -11.780 202 2HB LYS 23 2HB LYS 23 14.189 20.279 -13.346 203 1HG LYS 23 1HG LYS 23 11.904 18.589 -12.325 204 2HG LYS 23 2HG LYS 23 12.040 20.303 -11.930 205 1HD LYS 23 1HD LYS 23 12.036 20.892 -14.295 206 2HD LYS 23 2HD LYS 23 12.029 19.187 -14.749 207 1HE LYS 23 1HE LYS 23 9.864 19.876 -12.884 208 2HE LYS 23 2HE LYS 23 9.758 20.734 -14.434 209 1HZ LYS 23 1HZ LYS 23 10.568 17.961 -14.617 210 2HZ LYS 23 2HZ LYS 23 9.470 18.835 -15.574 211 3HZ LYS 23 3HZ LYS 23 8.976 18.191 -14.081 212 H HIS 24 H HIS 24 16.016 17.398 -11.824 213 HA HIS 24 HA HIS 24 18.269 18.257 -13.559 214 1HB HIS 24 1HB HIS 24 18.051 17.275 -10.697 215 2HB HIS 24 2HB HIS 24 19.549 17.820 -11.451 216 HD1 HIS 24 HD1 HIS 24 19.273 19.659 -9.383 217 HD2 HIS 24 HD2 HIS 24 16.711 20.048 -12.647 218 HE1 HIS 24 HE1 HIS 24 18.355 22.018 -9.296 219 H CYS 25 H CYS 25 16.690 15.872 -14.282 220 HA CYS 25 HA CYS 25 17.885 13.412 -13.520 221 1HB CYS 25 1HB CYS 25 16.905 12.676 -15.730 222 2HB CYS 25 2HB CYS 25 15.783 13.562 -14.698 223 HG CYS 25 HG CYS 25 15.684 15.389 -16.373 224 H THR 26 H THR 26 20.117 15.196 -13.905 225 HA THR 26 HA THR 26 21.571 13.697 -16.019 226 HB THR 26 HB THR 26 22.426 15.832 -16.925 227 HG1 THR 26 HG1 THR 26 21.577 17.758 -16.135 228 1HG2 THR 26 1HG2 THR 26 20.440 16.505 -18.072 229 2HG2 THR 26 2HG2 THR 26 20.248 14.786 -17.729 230 3HG2 THR 26 3HG2 THR 26 19.413 15.982 -16.738 231 H LEU 27 H LEU 27 21.604 13.680 -13.050 232 HA LEU 27 HA LEU 27 24.497 14.291 -12.698 233 1HB LEU 27 1HB LEU 27 22.165 15.375 -11.107 234 2HB LEU 27 2HB LEU 27 23.814 15.378 -10.479 235 HG LEU 27 HG LEU 27 23.014 16.612 -13.129 236 1HD1 LEU 27 1HD1 LEU 27 22.381 17.564 -10.598 237 2HD1 LEU 27 2HD1 LEU 27 23.879 18.410 -10.990 238 3HD1 LEU 27 3HD1 LEU 27 22.487 18.536 -12.066 239 1HD2 LEU 27 1HD2 LEU 27 25.257 16.551 -13.435 240 2HD2 LEU 27 2HD2 LEU 27 25.357 17.768 -12.162 241 3HD2 LEU 27 3HD2 LEU 27 25.542 16.061 -11.764 242 H TYR 28 H TYR 28 21.879 12.162 -12.181 243 HA TYR 28 HA TYR 28 23.461 10.704 -10.099 244 1HB TYR 28 1HB TYR 28 21.266 9.984 -9.197 245 2HB TYR 28 2HB TYR 28 21.401 11.741 -9.200 246 HD1 TYR 28 HD1 TYR 28 19.714 13.022 -10.192 247 HD2 TYR 28 HD2 TYR 28 20.198 8.913 -11.350 248 HE1 TYR 28 HE1 TYR 28 17.668 13.178 -11.587 249 HE2 TYR 28 HE2 TYR 28 18.153 9.066 -12.746 250 HH TYR 28 HH TYR 28 16.677 12.029 -13.531 251 H THR 29 H THR 29 23.096 8.264 -10.262 252 HA THR 29 HA THR 29 22.774 7.520 -13.129 253 HB THR 29 HB THR 29 24.115 6.309 -10.709 254 HG1 THR 29 HG1 THR 29 25.532 7.579 -11.646 255 1HG2 THR 29 1HG2 THR 29 24.798 4.705 -12.846 256 2HG2 THR 29 2HG2 THR 29 23.635 4.280 -11.590 257 3HG2 THR 29 3HG2 THR 29 23.075 4.980 -13.109 258 H ALA 30 H ALA 30 21.584 6.634 -9.873 259 HA ALA 30 HA ALA 30 19.122 5.573 -11.086 260 1HB ALA 30 1HB ALA 30 19.481 3.296 -10.346 261 2HB ALA 30 2HB ALA 30 20.895 3.786 -11.280 262 3HB ALA 30 3HB ALA 30 20.969 3.752 -9.517 263 H VAL 31 H VAL 31 17.566 6.325 -9.726 264 HA VAL 31 HA VAL 31 18.185 6.897 -6.892 265 HB VAL 31 HB VAL 31 16.943 8.533 -8.174 266 1HG1 VAL 31 1HG1 VAL 31 15.768 7.737 -9.935 267 2HG1 VAL 31 2HG1 VAL 31 15.665 6.126 -9.227 268 3HG1 VAL 31 3HG1 VAL 31 14.488 7.361 -8.782 269 1HG2 VAL 31 1HG2 VAL 31 14.610 7.407 -6.766 270 2HG2 VAL 31 2HG2 VAL 31 16.069 7.496 -5.779 271 3HG2 VAL 31 3HG2 VAL 31 15.423 8.954 -6.533 272 H SER 32 H SER 32 18.168 5.014 -5.662 273 HA SER 32 HA SER 32 16.559 2.701 -6.174 274 1HB SER 32 1HB SER 32 17.421 1.993 -4.044 275 2HB SER 32 2HB SER 32 18.679 2.981 -4.781 276 HG SER 32 HG SER 32 16.791 3.724 -2.795 277 H SER 33 H SER 33 14.647 1.980 -5.058 278 HA SER 33 HA SER 33 12.605 3.927 -4.635 279 1HB SER 33 1HB SER 33 11.713 1.860 -5.062 280 2HB SER 33 2HB SER 33 13.052 1.018 -4.286 281 HG SER 33 HG SER 33 11.902 0.922 -2.537 282 H THR 34 H THR 34 11.576 4.551 -2.610 283 HA THR 34 HA THR 34 13.405 5.226 -0.489 284 HB THR 34 HB THR 34 10.372 5.138 -0.512 285 HG1 THR 34 HG1 THR 34 11.360 7.546 -0.996 286 1HG2 THR 34 1HG2 THR 34 10.746 7.157 1.014 287 2HG2 THR 34 2HG2 THR 34 11.143 5.581 1.699 288 3HG2 THR 34 3HG2 THR 34 12.429 6.639 1.116 289 H TRP 35 H TRP 35 14.005 4.000 1.259 290 HA TRP 35 HA TRP 35 12.187 1.859 2.242 291 1HB TRP 35 1HB TRP 35 13.909 0.178 2.016 292 2HB TRP 35 2HB TRP 35 13.774 0.993 0.457 293 HD1 TRP 35 HD1 TRP 35 15.720 2.661 -0.246 294 HE1 TRP 35 HE1 TRP 35 18.156 2.902 0.565 295 HE3 TRP 35 HE3 TRP 35 15.477 -0.033 4.087 296 HZ2 TRP 35 HZ2 TRP 35 19.785 2.062 2.763 297 HZ3 TRP 35 HZ3 TRP 35 17.484 -0.295 5.519 298 HH2 TRP 35 HH2 TRP 35 19.635 0.748 4.863 299 H HIS 36 H HIS 36 13.439 0.801 4.259 300 HA HIS 36 HA HIS 36 15.222 2.635 5.699 301 1HB HIS 36 1HB HIS 36 13.110 3.778 5.994 302 2HB HIS 36 2HB HIS 36 12.297 2.271 6.415 303 HD1 HIS 36 HD1 HIS 36 12.383 1.536 8.834 304 HD2 HIS 36 HD2 HIS 36 15.018 4.668 8.037 305 HE1 HIS 36 HE1 HIS 36 13.299 2.289 11.072 306 H TRP 37 H TRP 37 15.499 1.732 8.050 307 HA TRP 37 HA TRP 37 15.961 -1.147 7.848 308 1HB TRP 37 1HB TRP 37 16.285 0.909 10.059 309 2HB TRP 37 2HB TRP 37 16.867 -0.753 10.161 310 HD1 TRP 37 HD1 TRP 37 17.824 2.612 8.934 311 HE1 TRP 37 HE1 TRP 37 20.013 2.485 7.578 312 HE3 TRP 37 HE3 TRP 37 18.215 -2.449 8.361 313 HZ2 TRP 37 HZ2 TRP 37 21.707 0.500 6.408 314 HZ3 TRP 37 HZ3 TRP 37 20.126 -3.430 7.122 315 HH2 TRP 37 HH2 TRP 37 21.871 -1.963 6.146 316 H THR 38 H THR 38 14.491 -2.686 8.453 317 HA THR 38 HA THR 38 12.158 -1.832 10.125 318 HB THR 38 HB THR 38 11.898 -2.753 7.765 319 HG1 THR 38 HG1 THR 38 10.275 -4.309 8.503 320 1HG2 THR 38 1HG2 THR 38 12.635 -4.837 7.208 321 2HG2 THR 38 2HG2 THR 38 13.752 -4.583 8.550 322 3HG2 THR 38 3HG2 THR 38 12.267 -5.500 8.801 323 H GLY 39 H GLY 39 11.508 -3.222 11.878 324 1HA GLY 39 1HA GLY 39 12.959 -5.618 12.582 325 2HA GLY 39 2HA GLY 39 13.510 -4.244 13.544 326 H HIS 40 H HIS 40 12.397 -6.148 15.028 327 HA HIS 40 HA HIS 40 9.549 -6.176 15.281 328 1HB HIS 40 1HB HIS 40 11.803 -6.604 17.268 329 2HB HIS 40 2HB HIS 40 10.124 -7.054 17.563 330 HD1 HIS 40 HD1 HIS 40 13.208 -8.323 16.115 331 HD2 HIS 40 HD2 HIS 40 9.140 -8.988 15.494 332 HE1 HIS 40 HE1 HIS 40 13.026 -10.503 14.839 333 H ASN 41 H ASN 41 11.992 -3.916 16.419 334 HA ASN 41 HA ASN 41 9.812 -2.301 17.706 335 1HB ASN 41 1HB ASN 41 12.736 -2.429 18.498 336 2HB ASN 41 2HB ASN 41 11.411 -1.704 19.412 337 1HD2 ASN 41 2HD2 ASN 41 9.786 -3.216 20.362 338 2HD2 ASN 41 1HD2 ASN 41 10.205 -4.836 20.651 339 H VAL 42 H VAL 42 9.475 -0.802 16.043 340 HA VAL 42 HA VAL 42 11.887 0.663 15.021 341 HB VAL 42 HB VAL 42 10.319 1.166 13.093 342 1HG1 VAL 42 1HG1 VAL 42 10.245 -1.762 13.167 343 2HG1 VAL 42 2HG1 VAL 42 11.130 -0.689 12.081 344 3HG1 VAL 42 3HG1 VAL 42 11.809 -1.107 13.654 345 1HG2 VAL 42 1HG2 VAL 42 8.146 0.495 13.127 346 2HG2 VAL 42 2HG2 VAL 42 8.549 -1.066 13.843 347 3HG2 VAL 42 3HG2 VAL 42 8.373 0.356 14.870 348 H LYS 43 H LYS 43 11.138 3.000 14.285 349 HA LYS 43 HA LYS 43 9.286 4.144 16.348 350 1HB LYS 43 1HB LYS 43 10.920 5.927 16.689 351 2HB LYS 43 2HB LYS 43 11.717 4.371 16.916 352 1HG LYS 43 1HG LYS 43 12.449 4.488 14.503 353 2HG LYS 43 2HG LYS 43 11.825 6.137 14.458 354 1HD LYS 43 1HD LYS 43 13.475 6.950 15.864 355 2HD LYS 43 2HD LYS 43 13.695 5.398 16.674 356 1HE LYS 43 1HE LYS 43 14.461 4.750 14.129 357 2HE LYS 43 2HE LYS 43 15.003 6.436 14.232 358 1HZ LYS 43 1HZ LYS 43 15.431 4.674 16.538 359 2HZ LYS 43 2HZ LYS 43 16.346 6.006 16.014 360 3HZ LYS 43 3HZ LYS 43 16.471 4.515 15.207 361 H HIS 44 H HIS 44 9.100 6.689 15.629 362 HA HIS 44 HA HIS 44 7.486 6.820 13.339 363 1HB HIS 44 1HB HIS 44 7.535 8.537 15.042 364 2HB HIS 44 2HB HIS 44 9.233 8.881 14.715 365 HD1 HIS 44 HD1 HIS 44 8.749 11.339 14.032 366 HD2 HIS 44 HD2 HIS 44 6.749 8.528 11.691 367 HE1 HIS 44 HE1 HIS 44 7.826 12.596 12.038 368 H LYS 45 H LYS 45 10.911 7.885 13.562 369 HA LYS 45 HA LYS 45 11.339 8.535 10.861 370 1HB LYS 45 1HB LYS 45 13.004 7.462 13.120 371 2HB LYS 45 2HB LYS 45 13.739 7.656 11.529 372 1HG LYS 45 1HG LYS 45 13.022 10.027 11.497 373 2HG LYS 45 2HG LYS 45 12.332 9.829 13.109 374 1HD LYS 45 1HD LYS 45 14.357 10.409 13.919 375 2HD LYS 45 2HD LYS 45 14.925 8.834 13.362 376 1HE LYS 45 1HE LYS 45 15.876 9.715 11.417 377 2HE LYS 45 2HE LYS 45 14.803 11.129 11.415 378 1HZ LYS 45 1HZ LYS 45 15.926 11.528 13.725 379 2HZ LYS 45 2HZ LYS 45 16.690 12.047 12.299 380 3HZ LYS 45 3HZ LYS 45 17.181 10.606 13.056 381 H SER 46 H SER 46 10.880 7.230 9.121 382 HA SER 46 HA SER 46 12.099 4.559 8.953 383 1HB SER 46 1HB SER 46 9.791 4.564 10.233 384 2HB SER 46 2HB SER 46 9.117 4.710 8.613 385 HG SER 46 HG SER 46 9.422 2.517 9.367 386 H ALA 47 H ALA 47 12.924 6.311 7.247 387 HA ALA 47 HA ALA 47 11.824 5.541 4.665 388 1HB ALA 47 1HB ALA 47 10.705 7.765 6.071 389 2HB ALA 47 2HB ALA 47 11.591 8.396 4.683 390 3HB ALA 47 3HB ALA 47 10.314 7.203 4.446 391 H ILE 48 H ILE 48 13.743 5.301 3.597 392 HA ILE 48 HA ILE 48 15.667 7.583 3.602 393 HB ILE 48 HB ILE 48 16.227 4.671 4.248 394 1HG1 ILE 48 1HG1 ILE 48 16.749 7.240 5.780 395 2HG1 ILE 48 2HG1 ILE 48 15.434 6.111 6.114 396 1HG2 ILE 48 1HG2 ILE 48 18.292 6.865 4.056 397 2HG2 ILE 48 2HG2 ILE 48 18.549 5.123 4.125 398 3HG2 ILE 48 3HG2 ILE 48 17.890 5.859 2.664 399 1HD1 ILE 48 1HD1 ILE 48 18.323 5.229 6.078 400 2HD1 ILE 48 2HD1 ILE 48 17.556 5.853 7.538 401 3HD1 ILE 48 3HD1 ILE 48 16.936 4.390 6.773 402 H VAL 49 H VAL 49 17.059 7.555 1.691 403 HA VAL 49 HA VAL 49 16.231 5.619 -0.437 404 HB VAL 49 HB VAL 49 16.459 8.639 -0.618 405 1HG1 VAL 49 1HG1 VAL 49 16.425 8.458 -2.875 406 2HG1 VAL 49 2HG1 VAL 49 16.915 6.783 -2.622 407 3HG1 VAL 49 3HG1 VAL 49 15.210 7.180 -2.833 408 1HG2 VAL 49 1HG2 VAL 49 14.091 8.667 -0.796 409 2HG2 VAL 49 2HG2 VAL 49 14.010 6.927 -1.071 410 3HG2 VAL 49 3HG2 VAL 49 14.419 7.549 0.528 411 H THR 50 H THR 50 17.993 4.762 -1.460 412 HA THR 50 HA THR 50 20.678 5.898 -0.895 413 HB THR 50 HB THR 50 19.750 3.357 -2.276 414 HG1 THR 50 HG1 THR 50 20.499 2.497 -0.189 415 1HG2 THR 50 1HG2 THR 50 21.911 3.121 -2.849 416 2HG2 THR 50 2HG2 THR 50 22.345 4.596 -1.985 417 3HG2 THR 50 3HG2 THR 50 22.307 3.053 -1.132 418 H LEU 51 H LEU 51 22.118 6.508 -2.623 419 HA LEU 51 HA LEU 51 20.881 6.686 -5.344 420 1HB LEU 51 1HB LEU 51 21.963 8.790 -3.511 421 2HB LEU 51 2HB LEU 51 22.221 8.994 -5.244 422 HG LEU 51 HG LEU 51 19.490 8.161 -4.598 423 1HD1 LEU 51 1HD1 LEU 51 19.686 10.984 -3.966 424 2HD1 LEU 51 2HD1 LEU 51 18.908 9.692 -3.052 425 3HD1 LEU 51 3HD1 LEU 51 20.626 10.023 -2.824 426 1HD2 LEU 51 1HD2 LEU 51 19.536 10.657 -5.879 427 2HD2 LEU 51 2HD2 LEU 51 20.973 9.822 -6.468 428 3HD2 LEU 51 3HD2 LEU 51 19.384 9.081 -6.657 429 H THR 52 H THR 52 22.231 5.676 -6.751 430 HA THR 52 HA THR 52 25.112 5.361 -6.049 431 HB THR 52 HB THR 52 24.521 3.942 -8.383 432 HG1 THR 52 HG1 THR 52 22.486 3.489 -8.335 433 1HG2 THR 52 1HG2 THR 52 25.814 2.953 -6.662 434 2HG2 THR 52 2HG2 THR 52 24.559 3.221 -5.453 435 3HG2 THR 52 3HG2 THR 52 24.332 2.000 -6.704 436 H TYR 53 H TYR 53 26.750 6.152 -7.415 437 HA TYR 53 HA TYR 53 25.847 7.838 -9.731 438 1HB TYR 53 1HB TYR 53 28.002 8.263 -7.636 439 2HB TYR 53 2HB TYR 53 27.823 9.276 -9.069 440 HD1 TYR 53 HD1 TYR 53 25.816 7.926 -6.202 441 HD2 TYR 53 HD2 TYR 53 26.428 11.150 -8.976 442 HE1 TYR 53 HE1 TYR 53 24.065 9.253 -5.047 443 HE2 TYR 53 HE2 TYR 53 24.679 12.476 -7.820 444 HH TYR 53 HH TYR 53 22.779 12.157 -6.382 445 H ASP 54 H ASP 54 27.412 7.934 -11.502 446 HA ASP 54 HA ASP 54 28.842 5.404 -11.890 447 1HB ASP 54 1HB ASP 54 28.096 7.832 -13.482 448 2HB ASP 54 2HB ASP 54 29.352 6.764 -14.109 449 H SER 55 H SER 55 29.672 8.374 -10.498 450 HA SER 55 HA SER 55 32.518 7.672 -10.479 451 1HB SER 55 1HB SER 55 31.327 9.691 -12.308 452 2HB SER 55 2HB SER 55 32.823 10.159 -11.504 453 HG SER 55 HG SER 55 33.645 9.043 -13.112 454 H GLU 56 H GLU 56 33.721 9.051 -8.991 455 HA GLU 56 HA GLU 56 32.181 10.008 -6.748 456 1HB GLU 56 1HB GLU 56 35.054 10.015 -7.639 457 2HB GLU 56 2HB GLU 56 34.588 10.931 -6.205 458 1HG GLU 56 1HG GLU 56 33.488 8.831 -5.329 459 2HG GLU 56 2HG GLU 56 34.217 7.963 -6.680 460 H TRP 57 H TRP 57 33.928 11.668 -9.385 461 HA TRP 57 HA TRP 57 33.699 14.337 -8.518 462 1HB TRP 57 1HB TRP 57 34.828 13.254 -10.580 463 2HB TRP 57 2HB TRP 57 33.259 13.422 -11.364 464 HD1 TRP 57 HD1 TRP 57 33.511 16.195 -9.055 465 HE1 TRP 57 HE1 TRP 57 34.287 18.352 -10.236 466 HE3 TRP 57 HE3 TRP 57 35.216 14.230 -13.451 467 HZ2 TRP 57 HZ2 TRP 57 35.476 19.139 -12.717 468 HZ3 TRP 57 HZ3 TRP 57 36.164 15.703 -15.203 469 HH2 TRP 57 HH2 TRP 57 36.297 18.154 -14.842 470 H GLN 58 H GLN 58 31.398 12.531 -10.589 471 HA GLN 58 HA GLN 58 29.396 14.540 -10.752 472 1HB GLN 58 1HB GLN 58 29.712 12.315 -12.009 473 2HB GLN 58 2HB GLN 58 28.918 11.555 -10.629 474 1HG GLN 58 1HG GLN 58 26.982 13.099 -10.941 475 2HG GLN 58 2HG GLN 58 27.763 13.736 -12.389 476 1HE2 GLN 58 2HE2 GLN 58 25.492 12.742 -13.178 477 2HE2 GLN 58 1HE2 GLN 58 25.580 11.147 -13.751 478 H ARG 59 H ARG 59 30.064 12.120 -8.255 479 HA ARG 59 HA ARG 59 27.637 12.262 -6.784 480 1HB ARG 59 1HB ARG 59 29.559 10.658 -6.527 481 2HB ARG 59 2HB ARG 59 30.472 11.950 -5.747 482 1HG ARG 59 1HG ARG 59 28.162 12.059 -4.319 483 2HG ARG 59 2HG ARG 59 28.216 10.339 -4.705 484 1HD ARG 59 1HD ARG 59 30.814 11.443 -3.844 485 2HD ARG 59 2HD ARG 59 29.555 11.472 -2.593 486 HE ARG 59 HE ARG 59 29.428 8.958 -3.930 487 1HH1 ARG 59 1HH2 ARG 59 31.379 10.814 -1.772 488 2HH1 ARG 59 2HH2 ARG 59 32.107 9.428 -1.031 489 1HH2 ARG 59 1HH1 ARG 59 30.403 7.143 -3.004 490 2HH2 ARG 59 2HH1 ARG 59 31.556 7.351 -1.729 491 H ASP 60 H ASP 60 30.674 14.087 -6.189 492 HA ASP 60 HA ASP 60 29.642 15.754 -4.124 493 1HB ASP 60 1HB ASP 60 32.041 15.312 -4.869 494 2HB ASP 60 2HB ASP 60 31.756 16.462 -6.176 495 H GLN 61 H GLN 61 29.330 15.931 -7.616 496 HA GLN 61 HA GLN 61 28.628 18.706 -7.847 497 1HB GLN 61 1HB GLN 61 28.023 16.207 -9.446 498 2HB GLN 61 2HB GLN 61 27.555 17.820 -9.989 499 1HG GLN 61 1HG GLN 61 29.968 18.514 -9.736 500 2HG GLN 61 2HG GLN 61 30.361 16.820 -9.441 501 1HE2 GLN 61 2HE2 GLN 61 31.140 15.875 -11.325 502 2HE2 GLN 61 1HE2 GLN 61 30.556 16.185 -12.889 503 H PHE 62 H PHE 62 26.523 15.799 -7.747 504 HA PHE 62 HA PHE 62 24.025 17.115 -7.685 505 1HB PHE 62 1HB PHE 62 24.173 14.755 -8.026 506 2HB PHE 62 2HB PHE 62 25.070 14.523 -6.525 507 HD1 PHE 62 HD1 PHE 62 21.799 14.750 -8.049 508 HD2 PHE 62 HD2 PHE 62 23.907 14.983 -4.312 509 HE1 PHE 62 HE1 PHE 62 19.667 14.417 -6.825 510 HE2 PHE 62 HE2 PHE 62 21.775 14.649 -3.088 511 HZ PHE 62 HZ PHE 62 19.655 14.367 -4.344 512 H LEU 63 H LEU 63 26.084 16.101 -4.935 513 HA LEU 63 HA LEU 63 24.378 16.975 -2.838 514 1HB LEU 63 1HB LEU 63 27.406 16.896 -3.047 515 2HB LEU 63 2HB LEU 63 26.495 16.951 -1.537 516 HG LEU 63 HG LEU 63 25.992 14.796 -3.586 517 1HD1 LEU 63 1HD1 LEU 63 27.591 13.913 -1.342 518 2HD1 LEU 63 2HD1 LEU 63 27.904 13.725 -3.067 519 3HD1 LEU 63 3HD1 LEU 63 28.432 15.183 -2.229 520 1HD2 LEU 63 1HD2 LEU 63 24.457 14.179 -2.057 521 2HD2 LEU 63 2HD2 LEU 63 25.736 13.991 -0.857 522 3HD2 LEU 63 3HD2 LEU 63 24.918 15.543 -1.039 523 H SER 64 H SER 64 26.317 18.798 -5.073 524 HA SER 64 HA SER 64 26.283 21.235 -3.382 525 1HB SER 64 1HB SER 64 28.247 21.351 -4.516 526 2HB SER 64 2HB SER 64 27.720 20.153 -5.693 527 HG SER 64 HG SER 64 28.046 22.606 -6.209 528 H GLN 65 H GLN 65 24.517 19.794 -6.023 529 HA GLN 65 HA GLN 65 23.196 22.363 -6.721 530 1HB GLN 65 1HB GLN 65 22.850 19.563 -7.840 531 2HB GLN 65 2HB GLN 65 22.337 21.071 -8.596 532 1HG GLN 65 1HG GLN 65 25.187 21.034 -7.875 533 2HG GLN 65 2HG GLN 65 24.744 19.810 -9.064 534 1HE2 GLN 65 2HE2 GLN 65 25.966 21.111 -10.699 535 2HE2 GLN 65 1HE2 GLN 65 25.248 22.491 -11.376 536 H VAL 66 H VAL 66 22.659 19.446 -4.898 537 HA VAL 66 HA VAL 66 19.726 19.915 -4.759 538 HB VAL 66 HB VAL 66 21.539 17.743 -3.658 539 1HG1 VAL 66 1HG1 VAL 66 19.378 18.007 -2.444 540 2HG1 VAL 66 2HG1 VAL 66 18.522 17.817 -3.974 541 3HG1 VAL 66 3HG1 VAL 66 19.471 16.481 -3.322 542 1HG2 VAL 66 1HG2 VAL 66 21.590 17.008 -5.789 543 2HG2 VAL 66 2HG2 VAL 66 19.843 16.777 -5.696 544 3HG2 VAL 66 3HG2 VAL 66 20.501 18.296 -6.305 545 H LYS 67 H LYS 67 19.312 21.567 -3.287 546 HA LYS 67 HA LYS 67 20.861 22.249 -1.006 547 1HB LYS 67 1HB LYS 67 18.750 23.400 -0.326 548 2HB LYS 67 2HB LYS 67 19.135 23.667 -2.027 549 1HG LYS 67 1HG LYS 67 17.659 21.460 -2.320 550 2HG LYS 67 2HG LYS 67 16.949 22.034 -0.812 551 1HD LYS 67 1HD LYS 67 17.335 24.148 -2.822 552 2HD LYS 67 2HD LYS 67 16.201 22.891 -3.316 553 1HE LYS 67 1HE LYS 67 15.990 24.073 -0.552 554 2HE LYS 67 2HE LYS 67 15.279 24.921 -1.941 555 1HZ LYS 67 1HZ LYS 67 13.967 23.026 -0.687 556 2HZ LYS 67 2HZ LYS 67 14.859 22.032 -1.735 557 3HZ LYS 67 3HZ LYS 67 13.834 23.232 -2.365 558 H ILE 68 H ILE 68 21.395 20.573 0.411 559 HA ILE 68 HA ILE 68 19.334 18.634 1.268 560 HB ILE 68 HB ILE 68 22.290 19.055 1.721 561 1HG1 ILE 68 1HG1 ILE 68 20.721 16.727 0.572 562 2HG1 ILE 68 2HG1 ILE 68 21.430 18.015 -0.404 563 1HG2 ILE 68 1HG2 ILE 68 22.080 16.777 2.940 564 2HG2 ILE 68 2HG2 ILE 68 21.639 18.230 3.836 565 3HG2 ILE 68 3HG2 ILE 68 20.382 17.204 3.145 566 1HD1 ILE 68 1HD1 ILE 68 23.427 16.985 -0.350 567 2HD1 ILE 68 2HD1 ILE 68 23.424 17.045 1.412 568 3HD1 ILE 68 3HD1 ILE 68 22.708 15.667 0.577 569 HA PRO 69 HA PRO 69 18.236 21.772 4.379 570 1HB PRO 69 1HB PRO 69 16.454 20.138 5.661 571 2HB PRO 69 2HB PRO 69 16.041 21.064 4.204 572 1HG PRO 69 1HG PRO 69 16.755 18.189 4.479 573 2HG PRO 69 2HG PRO 69 15.544 18.959 3.441 574 1HD PRO 69 1HD PRO 69 17.972 18.128 2.538 575 2HD PRO 69 2HD PRO 69 17.070 19.478 1.817 576 H LYS 70 H LYS 70 18.575 21.756 6.742 577 HA LYS 70 HA LYS 70 20.895 20.305 7.580 578 1HB LYS 70 1HB LYS 70 18.743 21.945 8.914 579 2HB LYS 70 2HB LYS 70 20.029 21.204 9.867 580 1HG LYS 70 1HG LYS 70 21.558 22.301 7.973 581 2HG LYS 70 2HG LYS 70 20.188 23.406 7.857 582 1HD LYS 70 1HD LYS 70 21.849 22.793 10.313 583 2HD LYS 70 2HD LYS 70 21.706 24.338 9.475 584 1HE LYS 70 1HE LYS 70 19.146 24.107 10.007 585 2HE LYS 70 2HE LYS 70 19.698 22.966 11.250 586 1HZ LYS 70 1HZ LYS 70 20.661 25.752 10.867 587 2HZ LYS 70 2HZ LYS 70 21.303 24.649 11.989 588 3HZ LYS 70 3HZ LYS 70 19.701 25.192 12.149 589 H THR 71 H THR 71 17.599 19.361 7.416 590 HA THR 71 HA THR 71 17.727 17.412 9.616 591 HB THR 71 HB THR 71 15.441 16.995 8.978 592 HG1 THR 71 HG1 THR 71 15.983 18.447 6.607 593 1HG2 THR 71 1HG2 THR 71 16.183 19.353 9.846 594 2HG2 THR 71 2HG2 THR 71 15.761 19.884 8.217 595 3HG2 THR 71 3HG2 THR 71 14.539 19.134 9.244 596 H ILE 72 H ILE 72 18.424 17.493 6.205 597 HA ILE 72 HA ILE 72 18.334 14.537 5.956 598 HB ILE 72 HB ILE 72 18.723 16.911 4.135 599 1HG1 ILE 72 1HG1 ILE 72 16.429 16.305 4.667 600 2HG1 ILE 72 2HG1 ILE 72 16.759 15.836 2.999 601 1HG2 ILE 72 1HG2 ILE 72 19.102 15.388 2.266 602 2HG2 ILE 72 2HG2 ILE 72 20.354 15.138 3.482 603 3HG2 ILE 72 3HG2 ILE 72 19.018 13.997 3.344 604 1HD1 ILE 72 1HD1 ILE 72 15.871 13.841 3.685 605 2HD1 ILE 72 2HD1 ILE 72 17.508 13.565 4.276 606 3HD1 ILE 72 3HD1 ILE 72 16.258 14.136 5.380 607 H THR 73 H THR 73 20.141 13.496 6.718 608 HA THR 73 HA THR 73 22.778 14.864 6.661 609 HB THR 73 HB THR 73 21.981 12.146 7.746 610 HG1 THR 73 HG1 THR 73 21.883 14.735 8.884 611 1HG2 THR 73 1HG2 THR 73 24.094 13.871 8.943 612 2HG2 THR 73 2HG2 THR 73 24.022 12.114 8.803 613 3HG2 THR 73 3HG2 THR 73 24.468 13.092 7.405 614 H VAL 74 H VAL 74 24.528 14.080 5.429 615 HA VAL 74 HA VAL 74 23.803 12.354 3.146 616 HB VAL 74 HB VAL 74 25.142 14.605 3.238 617 1HG1 VAL 74 1HG1 VAL 74 27.582 14.263 3.406 618 2HG1 VAL 74 2HG1 VAL 74 26.780 13.844 4.920 619 3HG1 VAL 74 3HG1 VAL 74 27.316 12.570 3.823 620 1HG2 VAL 74 1HG2 VAL 74 26.553 12.525 1.615 621 2HG2 VAL 74 2HG2 VAL 74 24.828 12.762 1.338 622 3HG2 VAL 74 3HG2 VAL 74 25.949 14.108 1.126 623 H SER 75 H SER 75 25.560 10.748 2.453 624 HA SER 75 HA SER 75 26.876 9.385 4.761 625 1HB SER 75 1HB SER 75 24.500 8.569 3.292 626 2HB SER 75 2HB SER 75 25.764 7.347 3.197 627 HG SER 75 HG SER 75 24.209 7.462 5.112 628 H THR 76 H THR 76 28.624 7.967 4.086 629 HA THR 76 HA THR 76 29.406 8.215 1.202 630 HB THR 76 HB THR 76 31.735 8.552 2.057 631 HG1 THR 76 HG1 THR 76 32.000 8.910 4.248 632 1HG2 THR 76 1HG2 THR 76 30.446 10.719 3.497 633 2HG2 THR 76 2HG2 THR 76 31.338 10.767 1.976 634 3HG2 THR 76 3HG2 THR 76 29.616 10.384 1.977 635 H GLY 77 H GLY 77 30.073 6.267 0.311 636 1HA GLY 77 1HA GLY 77 31.318 4.173 1.869 637 2HA GLY 77 2HA GLY 77 29.632 3.792 1.522 638 H PHE 78 H PHE 78 30.870 1.973 0.335 639 HA PHE 78 HA PHE 78 31.107 2.762 -2.527 640 1HB PHE 78 1HB PHE 78 33.299 2.420 -0.819 641 2HB PHE 78 2HB PHE 78 33.193 0.895 -1.697 642 HD1 PHE 78 HD1 PHE 78 34.985 1.050 -3.249 643 HD2 PHE 78 HD2 PHE 78 32.186 4.288 -2.869 644 HE1 PHE 78 HE1 PHE 78 35.967 2.134 -5.251 645 HE2 PHE 78 HE2 PHE 78 33.168 5.373 -4.872 646 HZ PHE 78 HZ PHE 78 35.060 4.295 -6.062 647 H MET 79 H MET 79 30.454 1.059 -3.916 648 HA MET 79 HA MET 79 29.876 -1.581 -2.624 649 1HB MET 79 1HB MET 79 28.063 0.454 -3.604 650 2HB MET 79 2HB MET 79 27.843 -1.047 -4.504 651 1HG MET 79 1HG MET 79 28.004 -1.002 -1.487 652 2HG MET 79 2HG MET 79 26.476 -0.801 -2.345 653 1HE MET 79 1HE MET 79 25.266 -2.186 -3.454 654 2HE MET 79 2HE MET 79 26.233 -2.922 -4.729 655 3HE MET 79 3HE MET 79 25.362 -3.941 -3.573 656 H SER 80 H SER 80 29.812 -3.364 -4.141 657 HA SER 80 HA SER 80 30.768 -2.779 -6.909 658 1HB SER 80 1HB SER 80 32.208 -5.018 -6.026 659 2HB SER 80 2HB SER 80 32.844 -3.391 -6.245 660 HG SER 80 HG SER 80 32.828 -3.111 -4.152 661 H ILE 81 H ILE 81 29.070 -3.687 -8.052 662 HA ILE 81 HA ILE 81 27.762 -6.158 -7.095 663 HB ILE 81 HB ILE 81 27.369 -4.372 -9.518 664 1HG1 ILE 81 1HG1 ILE 81 25.934 -4.551 -6.850 665 2HG1 ILE 81 2HG1 ILE 81 26.935 -3.210 -7.409 666 1HG2 ILE 81 1HG2 ILE 81 25.085 -5.940 -8.622 667 2HG2 ILE 81 2HG2 ILE 81 25.779 -5.803 -10.237 668 3HG2 ILE 81 3HG2 ILE 81 26.434 -6.973 -9.091 669 1HD1 ILE 81 1HD1 ILE 81 24.890 -2.375 -8.046 670 2HD1 ILE 81 2HD1 ILE 81 25.222 -3.345 -9.480 671 3HD1 ILE 81 3HD1 ILE 81 24.171 -3.977 -8.212 672 1H MET 1 1H MET 1 35.870 -0.199 9.262 673 2H MET 1 2H MET 1 35.525 -1.843 9.001 674 3H MET 1 3H MET 1 34.938 -1.059 10.389 675 HA MET 1 HA MET 1 33.532 0.371 9.004 676 1HB MET 1 1HB MET 1 34.997 -1.251 6.917 677 2HB MET 1 2HB MET 1 33.474 -0.442 6.545 678 1HG MET 1 1HG MET 1 34.379 1.694 6.869 679 2HG MET 1 2HG MET 1 35.705 1.088 7.860 680 1HE MET 1 1HE MET 1 34.902 0.969 3.478 681 2HE MET 1 2HE MET 1 34.027 1.679 4.832 682 3HE MET 1 3HE MET 1 35.375 2.552 4.091 683 H THR 2 H THR 2 31.776 -0.923 7.296 684 HA THR 2 HA THR 2 31.047 -3.428 8.780 685 HB THR 2 HB THR 2 29.314 -1.126 7.823 686 HG1 THR 2 HG1 THR 2 30.404 -0.717 9.748 687 1HG2 THR 2 1HG2 THR 2 27.426 -2.341 8.696 688 2HG2 THR 2 2HG2 THR 2 28.279 -3.417 7.589 689 3HG2 THR 2 3HG2 THR 2 28.471 -3.611 9.331 690 HA PRO 3 HA PRO 3 30.854 -4.859 4.600 691 1HB PRO 3 1HB PRO 3 30.164 -7.453 5.115 692 2HB PRO 3 2HB PRO 3 31.810 -6.828 5.346 693 1HG PRO 3 1HG PRO 3 29.687 -7.355 7.352 694 2HG PRO 3 2HG PRO 3 31.439 -7.573 7.474 695 1HD PRO 3 1HD PRO 3 30.069 -5.463 8.560 696 2HD PRO 3 2HD PRO 3 31.785 -5.420 8.121 697 H ILE 4 H ILE 4 29.176 -5.717 3.114 698 HA ILE 4 HA ILE 4 26.401 -5.767 4.206 699 HB ILE 4 HB ILE 4 25.848 -4.196 2.228 700 1HG1 ILE 4 1HG1 ILE 4 28.844 -3.752 2.460 701 2HG1 ILE 4 2HG1 ILE 4 28.016 -4.458 1.071 702 1HG2 ILE 4 1HG2 ILE 4 27.564 -2.645 4.066 703 2HG2 ILE 4 2HG2 ILE 4 25.839 -2.488 3.734 704 3HG2 ILE 4 3HG2 ILE 4 26.411 -3.717 4.863 705 1HD1 ILE 4 1HD1 ILE 4 28.320 -1.652 1.808 706 2HD1 ILE 4 2HD1 ILE 4 27.826 -2.356 0.269 707 3HD1 ILE 4 3HD1 ILE 4 26.632 -2.083 1.539 708 H VAL 5 H VAL 5 24.853 -6.626 2.549 709 HA VAL 5 HA VAL 5 26.115 -8.100 0.286 710 HB VAL 5 HB VAL 5 24.594 -9.251 2.638 711 1HG1 VAL 5 1HG1 VAL 5 24.663 -11.411 1.408 712 2HG1 VAL 5 2HG1 VAL 5 23.661 -10.216 0.586 713 3HG1 VAL 5 3HG1 VAL 5 25.285 -10.566 -0.009 714 1HG2 VAL 5 1HG2 VAL 5 26.808 -9.402 3.241 715 2HG2 VAL 5 2HG2 VAL 5 26.723 -10.854 2.245 716 3HG2 VAL 5 3HG2 VAL 5 27.373 -9.359 1.571 717 H HIS 6 H HIS 6 24.790 -7.977 -1.494 718 HA HIS 6 HA HIS 6 21.978 -7.038 -1.084 719 1HB HIS 6 1HB HIS 6 24.173 -6.535 -2.951 720 2HB HIS 6 2HB HIS 6 22.652 -6.858 -3.780 721 HD1 HIS 6 HD1 HIS 6 22.662 -4.266 -4.439 722 HD2 HIS 6 HD2 HIS 6 22.258 -5.064 -0.366 723 HE1 HIS 6 HE1 HIS 6 21.851 -2.120 -3.366 724 H LEU 7 H LEU 7 20.273 -8.300 -1.837 725 HA LEU 7 HA LEU 7 20.971 -10.819 -3.315 726 1HB LEU 7 1HB LEU 7 19.320 -11.942 -1.902 727 2HB LEU 7 2HB LEU 7 20.483 -11.104 -0.871 728 HG LEU 7 HG LEU 7 18.676 -9.124 -1.206 729 1HD1 LEU 7 1HD1 LEU 7 16.424 -10.009 -1.166 730 2HD1 LEU 7 2HD1 LEU 7 17.238 -10.672 -2.582 731 3HD1 LEU 7 3HD1 LEU 7 17.025 -11.666 -1.141 732 1HD2 LEU 7 1HD2 LEU 7 17.743 -10.948 0.868 733 2HD2 LEU 7 2HD2 LEU 7 19.502 -10.840 0.845 734 3HD2 LEU 7 3HD2 LEU 7 18.532 -9.381 1.035 735 H LYS 8 H LYS 8 19.548 -11.354 -5.004 736 HA LYS 8 HA LYS 8 17.105 -9.657 -5.361 737 1HB LYS 8 1HB LYS 8 18.774 -8.557 -6.644 738 2HB LYS 8 2HB LYS 8 19.474 -10.082 -7.186 739 1HG LYS 8 1HG LYS 8 18.229 -9.185 -9.037 740 2HG LYS 8 2HG LYS 8 17.296 -10.537 -8.401 741 1HD LYS 8 1HD LYS 8 16.169 -8.675 -6.913 742 2HD LYS 8 2HD LYS 8 16.757 -7.596 -8.178 743 1HE LYS 8 1HE LYS 8 15.548 -8.840 -9.886 744 2HE LYS 8 2HE LYS 8 15.064 -10.066 -8.699 745 1HZ LYS 8 1HZ LYS 8 13.288 -8.734 -8.418 746 2HZ LYS 8 2HZ LYS 8 14.059 -7.373 -9.081 747 3HZ LYS 8 3HZ LYS 8 14.340 -7.806 -7.463 748 H GLY 9 H GLY 9 15.610 -10.611 -7.003 749 1HA GLY 9 1HA GLY 9 15.847 -13.047 -8.324 750 2HA GLY 9 2HA GLY 9 15.391 -13.495 -6.682 751 H ASP 10 H ASP 10 13.359 -12.559 -5.844 752 HA ASP 10 HA ASP 10 11.476 -11.205 -7.583 753 1HB ASP 10 1HB ASP 10 11.821 -13.658 -8.456 754 2HB ASP 10 2HB ASP 10 10.830 -14.107 -7.067 755 H ALA 11 H ALA 11 9.537 -10.711 -6.415 756 HA ALA 11 HA ALA 11 9.670 -10.379 -3.653 757 1HB ALA 11 1HB ALA 11 7.663 -10.339 -5.782 758 2HB ALA 11 2HB ALA 11 6.969 -10.735 -4.210 759 3HB ALA 11 3HB ALA 11 7.872 -9.235 -4.422 760 H ASN 12 H ASN 12 7.798 -12.984 -5.278 761 HA ASN 12 HA ASN 12 7.012 -14.430 -3.014 762 1HB ASN 12 1HB ASN 12 7.924 -15.396 -5.744 763 2HB ASN 12 2HB ASN 12 6.977 -16.357 -4.608 764 1HD2 ASN 12 2HD2 ASN 12 6.267 -15.148 -7.356 765 2HD2 ASN 12 1HD2 ASN 12 4.825 -14.300 -7.067 766 H THR 13 H THR 13 10.047 -14.848 -4.875 767 HA THR 13 HA THR 13 11.179 -16.933 -3.320 768 HB THR 13 HB THR 13 12.438 -14.610 -4.816 769 HG1 THR 13 HG1 THR 13 12.597 -16.254 -6.440 770 1HG2 THR 13 1HG2 THR 13 14.290 -15.412 -3.723 771 2HG2 THR 13 2HG2 THR 13 13.570 -16.997 -3.447 772 3HG2 THR 13 3HG2 THR 13 14.237 -16.594 -5.029 773 H LEU 14 H LEU 14 10.790 -13.541 -2.597 774 HA LEU 14 HA LEU 14 12.855 -13.486 -0.509 775 1HB LEU 14 1HB LEU 14 10.672 -11.628 -1.478 776 2HB LEU 14 2HB LEU 14 11.728 -11.216 -0.127 777 HG LEU 14 HG LEU 14 12.963 -12.156 -2.692 778 1HD1 LEU 14 1HD1 LEU 14 12.334 -10.348 -3.878 779 2HD1 LEU 14 2HD1 LEU 14 11.190 -9.965 -2.591 780 3HD1 LEU 14 3HD1 LEU 14 12.811 -9.271 -2.566 781 1HD2 LEU 14 1HD2 LEU 14 14.568 -10.252 -1.825 782 2HD2 LEU 14 2HD2 LEU 14 13.700 -10.483 -0.308 783 3HD2 LEU 14 3HD2 LEU 14 14.576 -11.829 -1.036 784 H LYS 15 H LYS 15 9.338 -13.909 -0.684 785 HA LYS 15 HA LYS 15 8.710 -13.540 2.069 786 1HB LYS 15 1HB LYS 15 7.278 -13.876 -0.104 787 2HB LYS 15 2HB LYS 15 7.387 -15.588 0.304 788 1HG LYS 15 1HG LYS 15 6.516 -15.055 2.586 789 2HG LYS 15 2HG LYS 15 6.296 -13.381 2.073 790 1HD LYS 15 1HD LYS 15 5.114 -15.085 0.100 791 2HD LYS 15 2HD LYS 15 4.520 -15.579 1.686 792 1HE LYS 15 1HE LYS 15 3.658 -13.406 2.161 793 2HE LYS 15 2HE LYS 15 4.568 -12.674 0.824 794 1HZ LYS 15 1HZ LYS 15 2.489 -14.774 0.505 795 2HZ LYS 15 2HZ LYS 15 3.320 -13.979 -0.744 796 3HZ LYS 15 3HZ LYS 15 2.230 -13.121 0.236 797 H CYS 16 H CYS 16 9.885 -16.393 0.302 798 HA CYS 16 HA CYS 16 9.549 -18.273 2.462 799 1HB CYS 16 1HB CYS 16 10.403 -18.178 -0.249 800 2HB CYS 16 2HB CYS 16 11.687 -18.962 0.671 801 HG CYS 16 HG CYS 16 8.914 -20.059 1.351 802 H LEU 17 H LEU 17 12.435 -16.486 1.287 803 HA LEU 17 HA LEU 17 14.315 -17.543 3.132 804 1HB LEU 17 1HB LEU 17 14.084 -14.786 1.879 805 2HB LEU 17 2HB LEU 17 15.558 -15.463 2.574 806 HG LEU 17 HG LEU 17 14.018 -16.805 0.340 807 1HD1 LEU 17 1HD1 LEU 17 16.424 -14.961 0.201 808 2HD1 LEU 17 2HD1 LEU 17 15.804 -15.914 -1.148 809 3HD1 LEU 17 3HD1 LEU 17 14.818 -14.629 -0.449 810 1HD2 LEU 17 1HD2 LEU 17 16.374 -17.425 1.974 811 2HD2 LEU 17 2HD2 LEU 17 15.410 -18.488 0.949 812 3HD2 LEU 17 3HD2 LEU 17 16.699 -17.515 0.243 813 H ARG 18 H ARG 18 12.444 -14.494 3.401 814 HA ARG 18 HA ARG 18 13.274 -13.557 5.871 815 1HB ARG 18 1HB ARG 18 11.521 -12.677 4.215 816 2HB ARG 18 2HB ARG 18 10.371 -13.735 5.033 817 1HG ARG 18 1HG ARG 18 10.982 -12.625 7.199 818 2HG ARG 18 2HG ARG 18 11.975 -11.488 6.285 819 1HD ARG 18 1HD ARG 18 9.857 -10.397 6.574 820 2HD ARG 18 2HD ARG 18 9.837 -11.008 4.907 821 HE ARG 18 HE ARG 18 8.819 -13.137 6.261 822 1HH1 ARG 18 1HH2 ARG 18 7.144 -11.051 4.726 823 2HH1 ARG 18 2HH2 ARG 18 5.940 -10.678 5.914 824 1HH2 ARG 18 1HH1 ARG 18 7.706 -12.105 8.536 825 2HH2 ARG 18 2HH1 ARG 18 6.259 -11.275 8.071 826 H TYR 19 H TYR 19 11.118 -16.296 5.233 827 HA TYR 19 HA TYR 19 10.199 -16.706 7.918 828 1HB TYR 19 1HB TYR 19 9.250 -17.673 5.821 829 2HB TYR 19 2HB TYR 19 10.680 -18.694 5.673 830 HD1 TYR 19 HD1 TYR 19 7.630 -18.024 7.649 831 HD2 TYR 19 HD2 TYR 19 11.043 -20.589 7.152 832 HE1 TYR 19 HE1 TYR 19 6.608 -19.682 9.185 833 HE2 TYR 19 HE2 TYR 19 10.019 -22.246 8.689 834 HH TYR 19 HH TYR 19 6.922 -22.383 9.444 835 H ARG 20 H ARG 20 13.295 -17.148 6.496 836 HA ARG 20 HA ARG 20 14.114 -19.173 8.524 837 1HB ARG 20 1HB ARG 20 14.981 -18.235 5.856 838 2HB ARG 20 2HB ARG 20 16.297 -18.638 6.959 839 1HG ARG 20 1HG ARG 20 14.358 -20.677 7.263 840 2HG ARG 20 2HG ARG 20 14.541 -20.422 5.528 841 1HD ARG 20 1HD ARG 20 17.026 -20.609 5.801 842 2HD ARG 20 2HD ARG 20 16.768 -21.010 7.510 843 HE ARG 20 HE ARG 20 15.140 -22.640 5.729 844 1HH1 ARG 20 1HH1 ARG 20 18.209 -22.721 5.070 845 2HH1 ARG 20 2HH1 ARG 20 18.645 -24.168 5.916 846 1HH2 ARG 20 1HH2 ARG 20 15.702 -24.302 7.744 847 2HH2 ARG 20 2HH2 ARG 20 17.225 -25.063 7.430 848 H PHE 21 H PHE 21 14.689 -15.817 7.542 849 HA PHE 21 HA PHE 21 16.941 -15.303 9.252 850 1HB PHE 21 1HB PHE 21 14.763 -13.437 8.254 851 2HB PHE 21 2HB PHE 21 16.387 -12.971 8.754 852 HD1 PHE 21 HD1 PHE 21 17.213 -15.900 7.393 853 HD2 PHE 21 HD2 PHE 21 15.501 -12.176 6.100 854 HE1 PHE 21 HE1 PHE 21 18.045 -16.316 5.094 855 HE2 PHE 21 HE2 PHE 21 16.333 -12.593 3.802 856 HZ PHE 21 HZ PHE 21 17.606 -14.662 3.298 857 H LYS 22 H LYS 22 13.436 -15.169 9.778 858 HA LYS 22 HA LYS 22 13.449 -13.768 12.269 859 1HB LYS 22 1HB LYS 22 11.625 -15.812 10.980 860 2HB LYS 22 2HB LYS 22 11.215 -14.996 12.490 861 1HG LYS 22 1HG LYS 22 12.019 -13.442 10.031 862 2HG LYS 22 2HG LYS 22 10.347 -13.934 10.303 863 1HD LYS 22 1HD LYS 22 10.363 -12.785 12.490 864 2HD LYS 22 2HD LYS 22 12.030 -12.279 12.207 865 1HE LYS 22 1HE LYS 22 11.323 -11.015 10.206 866 2HE LYS 22 2HE LYS 22 9.646 -11.527 10.476 867 1HZ LYS 22 1HZ LYS 22 9.454 -10.270 12.346 868 2HZ LYS 22 2HZ LYS 22 10.581 -9.307 11.517 869 3HZ LYS 22 3HZ LYS 22 11.102 -10.371 12.734 870 H LYS 23 H LYS 23 13.566 -17.272 11.549 871 HA LYS 23 HA LYS 23 13.703 -18.050 14.348 872 1HB LYS 23 1HB LYS 23 14.322 -19.454 11.730 873 2HB LYS 23 2HB LYS 23 14.241 -20.268 13.293 874 1HG LYS 23 1HG LYS 23 11.953 -18.601 12.234 875 2HG LYS 23 2HG LYS 23 12.107 -20.321 11.874 876 1HD LYS 23 1HD LYS 23 12.078 -20.867 14.249 877 2HD LYS 23 2HD LYS 23 12.061 -19.155 14.672 878 1HE LYS 23 1HE LYS 23 9.914 -19.867 12.802 879 2HE LYS 23 2HE LYS 23 9.799 -20.722 14.353 880 1HZ LYS 23 1HZ LYS 23 10.599 -17.946 14.535 881 2HZ LYS 23 2HZ LYS 23 9.495 -18.822 15.485 882 3HZ LYS 23 3HZ LYS 23 9.011 -18.182 13.988 883 H HIS 24 H HIS 24 16.070 -17.390 11.796 884 HA HIS 24 HA HIS 24 18.306 -18.238 13.558 885 1HB HIS 24 1HB HIS 24 18.122 -17.252 10.694 886 2HB HIS 24 2HB HIS 24 19.611 -17.801 11.465 887 HD1 HIS 24 HD1 HIS 24 19.348 -19.636 9.385 888 HD2 HIS 24 HD2 HIS 24 16.764 -20.024 12.633 889 HE1 HIS 24 HE1 HIS 24 18.424 -21.993 9.288 890 H CYS 25 H CYS 25 16.715 -15.864 14.277 891 HA CYS 25 HA CYS 25 17.900 -13.399 13.523 892 1HB CYS 25 1HB CYS 25 16.880 -12.641 15.684 893 2HB CYS 25 2HB CYS 25 15.784 -13.606 14.696 894 HG CYS 25 HG CYS 25 15.769 -15.382 16.432 895 H THR 26 H THR 26 20.139 -15.177 13.932 896 HA THR 26 HA THR 26 21.571 -13.653 16.044 897 HB THR 26 HB THR 26 22.430 -15.779 16.969 898 HG1 THR 26 HG1 THR 26 21.616 -17.710 16.182 899 1HG2 THR 26 1HG2 THR 26 20.443 -16.446 18.114 900 2HG2 THR 26 2HG2 THR 26 20.240 -14.732 17.750 901 3HG2 THR 26 3HG2 THR 26 19.418 -15.945 16.768 902 H LEU 27 H LEU 27 21.639 -13.645 13.078 903 HA LEU 27 HA LEU 27 24.536 -14.253 12.763 904 1HB LEU 27 1HB LEU 27 22.233 -15.350 11.139 905 2HB LEU 27 2HB LEU 27 23.895 -15.360 10.546 906 HG LEU 27 HG LEU 27 23.045 -16.564 13.194 907 1HD1 LEU 27 1HD1 LEU 27 22.424 -17.541 10.673 908 2HD1 LEU 27 2HD1 LEU 27 23.919 -18.386 11.074 909 3HD1 LEU 27 3HD1 LEU 27 22.525 -18.502 12.149 910 1HD2 LEU 27 1HD2 LEU 27 25.283 -16.519 13.523 911 2HD2 LEU 27 2HD2 LEU 27 25.389 -17.748 12.262 912 3HD2 LEU 27 3HD2 LEU 27 25.590 -16.044 11.854 913 H TYR 28 H TYR 28 21.918 -12.141 12.202 914 HA TYR 28 HA TYR 28 23.512 -10.682 10.131 915 1HB TYR 28 1HB TYR 28 21.316 -9.963 9.222 916 2HB TYR 28 2HB TYR 28 21.456 -11.720 9.221 917 HD1 TYR 28 HD1 TYR 28 19.771 -13.008 10.210 918 HD2 TYR 28 HD2 TYR 28 20.237 -8.897 11.368 919 HE1 TYR 28 HE1 TYR 28 17.718 -13.169 11.595 920 HE2 TYR 28 HE2 TYR 28 18.186 -9.055 12.754 921 HH TYR 28 HH TYR 28 16.688 -12.041 13.499 922 H THR 29 H THR 29 23.136 -8.239 10.294 923 HA THR 29 HA THR 29 22.810 -7.497 13.162 924 HB THR 29 HB THR 29 24.133 -6.270 10.738 925 HG1 THR 29 HG1 THR 29 25.562 -7.535 11.667 926 1HG2 THR 29 1HG2 THR 29 24.797 -4.684 12.911 927 2HG2 THR 29 2HG2 THR 29 23.676 -4.243 11.624 928 3HG2 THR 29 3HG2 THR 29 23.067 -4.951 13.120 929 H ALA 30 H ALA 30 21.634 -6.616 9.904 930 HA ALA 30 HA ALA 30 19.154 -5.563 11.093 931 1HB ALA 30 1HB ALA 30 19.515 -3.291 10.330 932 2HB ALA 30 2HB ALA 30 20.915 -3.769 11.292 933 3HB ALA 30 3HB ALA 30 21.018 -3.754 9.532 934 H VAL 31 H VAL 31 17.614 -6.325 9.717 935 HA VAL 31 HA VAL 31 18.267 -6.902 6.891 936 HB VAL 31 HB VAL 31 17.016 -8.536 8.164 937 1HG1 VAL 31 1HG1 VAL 31 15.812 -7.744 9.904 938 2HG1 VAL 31 2HG1 VAL 31 15.728 -6.131 9.198 939 3HG1 VAL 31 3HG1 VAL 31 14.549 -7.358 8.734 940 1HG2 VAL 31 1HG2 VAL 31 14.704 -7.411 6.715 941 2HG2 VAL 31 2HG2 VAL 31 16.177 -7.526 5.752 942 3HG2 VAL 31 3HG2 VAL 31 15.506 -8.969 6.513 943 H SER 32 H SER 32 18.261 -5.012 5.662 944 HA SER 32 HA SER 32 16.625 -2.711 6.145 945 1HB SER 32 1HB SER 32 17.522 -1.993 4.036 946 2HB SER 32 2HB SER 32 18.772 -2.978 4.792 947 HG SER 32 HG SER 32 16.946 -3.690 2.744 948 H SER 33 H SER 33 14.730 -1.997 4.989 949 HA SER 33 HA SER 33 12.701 -3.948 4.538 950 1HB SER 33 1HB SER 33 11.776 -1.892 4.922 951 2HB SER 33 2HB SER 33 13.143 -1.044 4.204 952 HG SER 33 HG SER 33 12.032 -0.910 2.436 953 H THR 34 H THR 34 11.693 -4.566 2.508 954 HA THR 34 HA THR 34 13.539 -5.255 0.405 955 HB THR 34 HB THR 34 10.508 -5.147 0.378 956 HG1 THR 34 HG1 THR 34 11.622 -7.540 0.942 957 1HG2 THR 34 1HG2 THR 34 10.913 -7.213 -1.090 958 2HG2 THR 34 2HG2 THR 34 11.302 -5.647 -1.803 959 3HG2 THR 34 3HG2 THR 34 12.591 -6.677 -1.181 960 H TRP 35 H TRP 35 14.171 -4.010 -1.321 961 HA TRP 35 HA TRP 35 12.356 -1.876 -2.323 962 1HB TRP 35 1HB TRP 35 14.063 -0.190 -2.065 963 2HB TRP 35 2HB TRP 35 13.919 -1.016 -0.515 964 HD1 TRP 35 HD1 TRP 35 15.871 -2.669 0.200 965 HE1 TRP 35 HE1 TRP 35 18.316 -2.888 -0.588 966 HE3 TRP 35 HE3 TRP 35 15.650 0.042 -4.124 967 HZ2 TRP 35 HZ2 TRP 35 19.960 -2.027 -2.763 968 HZ3 TRP 35 HZ3 TRP 35 17.671 0.327 -5.533 969 HH2 TRP 35 HH2 TRP 35 19.823 -0.703 -4.858 970 H HIS 36 H HIS 36 13.619 -0.812 -4.325 971 HA HIS 36 HA HIS 36 15.426 -2.640 -5.746 972 1HB HIS 36 1HB HIS 36 13.317 -3.783 -6.062 973 2HB HIS 36 2HB HIS 36 12.507 -2.276 -6.490 974 HD1 HIS 36 HD1 HIS 36 12.607 -1.548 -8.908 975 HD2 HIS 36 HD2 HIS 36 15.247 -4.670 -8.088 976 HE1 HIS 36 HE1 HIS 36 13.542 -2.298 -11.138 977 H TRP 37 H TRP 37 15.728 -1.735 -8.097 978 HA TRP 37 HA TRP 37 16.178 1.147 -7.894 979 1HB TRP 37 1HB TRP 37 16.535 -0.911 -10.097 980 2HB TRP 37 2HB TRP 37 17.114 0.752 -10.195 981 HD1 TRP 37 HD1 TRP 37 18.069 -2.607 -8.963 982 HE1 TRP 37 HE1 TRP 37 20.242 -2.476 -7.581 983 HE3 TRP 37 HE3 TRP 37 18.426 2.451 -8.364 984 HZ2 TRP 37 HZ2 TRP 37 21.912 -0.484 -6.381 985 HZ3 TRP 37 HZ3 TRP 37 20.314 3.440 -7.099 986 HH2 TRP 37 HH2 TRP 37 22.057 1.980 -6.107 987 H THR 38 H THR 38 14.693 2.672 -8.500 988 HA THR 38 HA THR 38 12.391 1.815 -10.211 989 HB THR 38 HB THR 38 12.099 2.732 -7.852 990 HG1 THR 38 HG1 THR 38 10.489 4.308 -8.629 991 1HG2 THR 38 1HG2 THR 38 12.831 4.811 -7.284 992 2HG2 THR 38 2HG2 THR 38 13.950 4.576 -8.626 993 3HG2 THR 38 3HG2 THR 38 12.458 5.482 -8.871 994 H GLY 39 H GLY 39 11.763 3.196 -11.973 995 1HA GLY 39 1HA GLY 39 13.222 5.597 -12.656 996 2HA GLY 39 2HA GLY 39 13.774 4.223 -13.616 997 H HIS 40 H HIS 40 12.690 6.102 -15.132 998 HA HIS 40 HA HIS 40 9.836 6.140 -15.391 999 1HB HIS 40 1HB HIS 40 12.102 6.583 -17.361 1000 2HB HIS 40 2HB HIS 40 10.423 7.025 -17.668 1001 HD1 HIS 40 HD1 HIS 40 13.487 8.316 -16.205 1002 HD2 HIS 40 HD2 HIS 40 9.412 8.944 -15.591 1003 HE1 HIS 40 HE1 HIS 40 13.283 10.491 -14.921 1004 H ASN 41 H ASN 41 12.292 3.886 -16.500 1005 HA ASN 41 HA ASN 41 10.132 2.267 -17.812 1006 1HB ASN 41 1HB ASN 41 13.063 2.398 -18.573 1007 2HB ASN 41 2HB ASN 41 11.749 1.672 -19.501 1008 1HD2 ASN 41 2HD2 ASN 41 10.151 3.167 -20.491 1009 2HD2 ASN 41 1HD2 ASN 41 10.562 4.790 -20.771 1010 H VAL 42 H VAL 42 9.780 0.758 -16.162 1011 HA VAL 42 HA VAL 42 12.187 -0.698 -15.117 1012 HB VAL 42 HB VAL 42 10.615 -1.200 -13.198 1013 1HG1 VAL 42 1HG1 VAL 42 10.541 1.739 -13.328 1014 2HG1 VAL 42 2HG1 VAL 42 11.358 0.685 -12.174 1015 3HG1 VAL 42 3HG1 VAL 42 12.115 1.052 -13.724 1016 1HG2 VAL 42 1HG2 VAL 42 8.436 -0.557 -13.252 1017 2HG2 VAL 42 2HG2 VAL 42 8.829 1.014 -13.951 1018 3HG2 VAL 42 3HG2 VAL 42 8.675 -0.401 -14.992 1019 H LYS 43 H LYS 43 11.444 -3.037 -14.394 1020 HA LYS 43 HA LYS 43 9.614 -4.182 -16.478 1021 1HB LYS 43 1HB LYS 43 11.256 -5.975 -16.772 1022 2HB LYS 43 2HB LYS 43 12.046 -4.418 -17.015 1023 1HG LYS 43 1HG LYS 43 12.744 -4.493 -14.587 1024 2HG LYS 43 2HG LYS 43 12.141 -6.151 -14.533 1025 1HD LYS 43 1HD LYS 43 13.814 -6.954 -15.920 1026 2HD LYS 43 2HD LYS 43 14.032 -5.403 -16.730 1027 1HE LYS 43 1HE LYS 43 14.767 -4.722 -14.195 1028 2HE LYS 43 2HE LYS 43 15.293 -6.417 -14.246 1029 1HZ LYS 43 1HZ LYS 43 15.785 -4.730 -16.592 1030 2HZ LYS 43 2HZ LYS 43 16.687 -6.042 -15.998 1031 3HZ LYS 43 3HZ LYS 43 16.791 -4.523 -15.242 1032 H HIS 44 H HIS 44 9.435 -6.735 -15.752 1033 HA HIS 44 HA HIS 44 7.775 -6.865 -13.491 1034 1HB HIS 44 1HB HIS 44 7.865 -8.592 -15.186 1035 2HB HIS 44 2HB HIS 44 9.559 -8.925 -14.822 1036 HD1 HIS 44 HD1 HIS 44 9.067 -11.382 -14.134 1037 HD2 HIS 44 HD2 HIS 44 7.021 -8.562 -11.846 1038 HE1 HIS 44 HE1 HIS 44 8.122 -12.627 -12.142 1039 H LYS 45 H LYS 45 11.211 -7.900 -13.655 1040 HA LYS 45 HA LYS 45 11.595 -8.542 -10.944 1041 1HB LYS 45 1HB LYS 45 13.288 -7.489 -13.188 1042 2HB LYS 45 2HB LYS 45 14.003 -7.651 -11.583 1043 1HG LYS 45 1HG LYS 45 13.314 -10.025 -11.521 1044 2HG LYS 45 2HG LYS 45 12.624 -9.861 -13.137 1045 1HD LYS 45 1HD LYS 45 14.650 -10.409 -13.953 1046 2HD LYS 45 2HD LYS 45 15.223 -8.845 -13.372 1047 1HE LYS 45 1HE LYS 45 16.144 -9.758 -11.423 1048 2HE LYS 45 2HE LYS 45 15.077 -11.175 -11.465 1049 1HZ LYS 45 1HZ LYS 45 16.227 -11.539 -13.760 1050 2HZ LYS 45 2HZ LYS 45 16.994 -12.057 -12.335 1051 3HZ LYS 45 3HZ LYS 45 17.467 -10.603 -13.078 1052 H SER 46 H SER 46 11.133 -7.238 -9.212 1053 HA SER 46 HA SER 46 12.331 -4.560 -9.040 1054 1HB SER 46 1HB SER 46 10.034 -4.575 -10.343 1055 2HB SER 46 2HB SER 46 9.344 -4.722 -8.729 1056 HG SER 46 HG SER 46 9.659 -2.528 -9.502 1057 H ALA 47 H ALA 47 13.145 -6.320 -7.331 1058 HA ALA 47 HA ALA 47 12.014 -5.563 -4.757 1059 1HB ALA 47 1HB ALA 47 10.918 -7.779 -6.189 1060 2HB ALA 47 2HB ALA 47 11.800 -8.422 -4.805 1061 3HB ALA 47 3HB ALA 47 10.515 -7.240 -4.560 1062 H ILE 48 H ILE 48 13.926 -5.318 -3.665 1063 HA ILE 48 HA ILE 48 15.857 -7.594 -3.654 1064 HB ILE 48 HB ILE 48 16.413 -4.680 -4.295 1065 1HG1 ILE 48 1HG1 ILE 48 16.926 -7.255 -5.822 1066 2HG1 ILE 48 2HG1 ILE 48 15.642 -6.097 -6.176 1067 1HG2 ILE 48 1HG2 ILE 48 18.461 -6.891 -4.040 1068 2HG2 ILE 48 2HG2 ILE 48 18.748 -5.159 -4.196 1069 3HG2 ILE 48 3HG2 ILE 48 18.074 -5.810 -2.702 1070 1HD1 ILE 48 1HD1 ILE 48 18.545 -5.269 -6.092 1071 2HD1 ILE 48 2HD1 ILE 48 17.800 -5.895 -7.563 1072 3HD1 ILE 48 3HD1 ILE 48 17.187 -4.416 -6.824 1073 H VAL 49 H VAL 49 17.234 -7.559 -1.727 1074 HA VAL 49 HA VAL 49 16.386 -5.619 0.392 1075 HB VAL 49 HB VAL 49 16.623 -8.639 0.593 1076 1HG1 VAL 49 1HG1 VAL 49 16.563 -8.440 2.847 1077 2HG1 VAL 49 2HG1 VAL 49 17.048 -6.764 2.587 1078 3HG1 VAL 49 3HG1 VAL 49 15.343 -7.167 2.783 1079 1HG2 VAL 49 1HG2 VAL 49 14.248 -8.669 0.766 1080 2HG2 VAL 49 2HG2 VAL 49 14.166 -6.922 0.991 1081 3HG2 VAL 49 3HG2 VAL 49 14.590 -7.589 -0.586 1082 H THR 50 H THR 50 18.137 -4.757 1.424 1083 HA THR 50 HA THR 50 20.831 -5.889 0.889 1084 HB THR 50 HB THR 50 19.871 -3.345 2.245 1085 HG1 THR 50 HG1 THR 50 20.620 -2.479 0.181 1086 1HG2 THR 50 1HG2 THR 50 22.019 -3.096 2.857 1087 2HG2 THR 50 2HG2 THR 50 22.475 -4.575 2.014 1088 3HG2 THR 50 3HG2 THR 50 22.448 -3.039 1.148 1089 H LEU 51 H LEU 51 22.247 -6.498 2.634 1090 HA LEU 51 HA LEU 51 20.979 -6.669 5.341 1091 1HB LEU 51 1HB LEU 51 22.088 -8.775 3.526 1092 2HB LEU 51 2HB LEU 51 22.333 -8.973 5.262 1093 HG LEU 51 HG LEU 51 19.602 -8.155 4.580 1094 1HD1 LEU 51 1HD1 LEU 51 19.821 -10.984 3.983 1095 2HD1 LEU 51 2HD1 LEU 51 19.053 -9.706 3.041 1096 3HD1 LEU 51 3HD1 LEU 51 20.775 -10.033 2.844 1097 1HD2 LEU 51 1HD2 LEU 51 19.645 -10.636 5.890 1098 2HD2 LEU 51 2HD2 LEU 51 21.074 -9.790 6.485 1099 3HD2 LEU 51 3HD2 LEU 51 19.480 -9.053 6.649 1100 H THR 52 H THR 52 22.308 -5.665 6.771 1101 HA THR 52 HA THR 52 25.193 -5.327 6.101 1102 HB THR 52 HB THR 52 24.574 -3.910 8.424 1103 HG1 THR 52 HG1 THR 52 22.529 -3.493 8.378 1104 1HG2 THR 52 1HG2 THR 52 25.849 -2.887 6.722 1105 2HG2 THR 52 2HG2 THR 52 24.629 -3.214 5.491 1106 3HG2 THR 52 3HG2 THR 52 24.337 -1.981 6.718 1107 H TYR 53 H TYR 53 26.825 -6.099 7.491 1108 HA TYR 53 HA TYR 53 25.910 -7.790 9.796 1109 1HB TYR 53 1HB TYR 53 28.079 -8.217 7.718 1110 2HB TYR 53 2HB TYR 53 27.899 -9.223 9.153 1111 HD1 TYR 53 HD1 TYR 53 25.902 -7.898 6.270 1112 HD2 TYR 53 HD2 TYR 53 26.515 -11.108 9.059 1113 HE1 TYR 53 HE1 TYR 53 24.166 -9.237 5.110 1114 HE2 TYR 53 HE2 TYR 53 24.778 -12.448 7.900 1115 HH TYR 53 HH TYR 53 22.892 -12.151 6.450 1116 H ASP 54 H ASP 54 27.467 -7.889 11.575 1117 HA ASP 54 HA ASP 54 28.883 -5.353 11.992 1118 1HB ASP 54 1HB ASP 54 28.132 -7.798 13.558 1119 2HB ASP 54 2HB ASP 54 29.369 -6.721 14.209 1120 H SER 55 H SER 55 29.728 -8.337 10.621 1121 HA SER 55 HA SER 55 32.577 -7.628 10.626 1122 1HB SER 55 1HB SER 55 31.358 -9.639 12.440 1123 2HB SER 55 2HB SER 55 32.841 -10.139 11.633 1124 HG SER 55 HG SER 55 33.693 -9.045 13.240 1125 H GLU 56 H GLU 56 33.798 -9.036 9.166 1126 HA GLU 56 HA GLU 56 32.274 -9.954 6.890 1127 1HB GLU 56 1HB GLU 56 35.134 -9.947 7.810 1128 2HB GLU 56 2HB GLU 56 34.695 -10.882 6.381 1129 1HG GLU 56 1HG GLU 56 33.589 -8.803 5.465 1130 2HG GLU 56 2HG GLU 56 34.291 -7.911 6.816 1131 H TRP 57 H TRP 57 33.993 -11.624 9.534 1132 HA TRP 57 HA TRP 57 33.777 -14.293 8.661 1133 1HB TRP 57 1HB TRP 57 34.879 -13.202 10.735 1134 2HB TRP 57 2HB TRP 57 33.301 -13.375 11.501 1135 HD1 TRP 57 HD1 TRP 57 33.594 -16.155 9.207 1136 HE1 TRP 57 HE1 TRP 57 34.367 -18.304 10.406 1137 HE3 TRP 57 HE3 TRP 57 35.236 -14.162 13.612 1138 HZ2 TRP 57 HZ2 TRP 57 35.531 -19.073 12.906 1139 HZ3 TRP 57 HZ3 TRP 57 36.171 -15.621 15.383 1140 HH2 TRP 57 HH2 TRP 57 36.321 -18.072 15.036 1141 H GLN 58 H GLN 58 31.448 -12.489 10.705 1142 HA GLN 58 HA GLN 58 29.450 -14.506 10.846 1143 1HB GLN 58 1HB GLN 58 29.751 -12.275 12.104 1144 2HB GLN 58 2HB GLN 58 28.953 -11.525 10.721 1145 1HG GLN 58 1HG GLN 58 27.036 -13.099 11.030 1146 2HG GLN 58 2HG GLN 58 27.818 -13.711 12.488 1147 1HE2 GLN 58 2HE2 GLN 58 25.508 -12.730 13.225 1148 2HE2 GLN 58 1HE2 GLN 58 25.579 -11.133 13.795 1149 H ARG 59 H ARG 59 30.142 -12.088 8.354 1150 HA ARG 59 HA ARG 59 27.728 -12.230 6.862 1151 1HB ARG 59 1HB ARG 59 29.650 -10.627 6.619 1152 2HB ARG 59 2HB ARG 59 30.572 -11.920 5.851 1153 1HG ARG 59 1HG ARG 59 28.280 -12.036 4.397 1154 2HG ARG 59 2HG ARG 59 28.322 -10.315 4.783 1155 1HD ARG 59 1HD ARG 59 30.935 -11.414 3.951 1156 2HD ARG 59 2HD ARG 59 29.689 -11.438 2.686 1157 HE ARG 59 HE ARG 59 29.551 -8.930 4.038 1158 1HH1 ARG 59 1HH2 ARG 59 31.518 -10.774 1.884 1159 2HH1 ARG 59 2HH2 ARG 59 32.246 -9.384 1.153 1160 1HH2 ARG 59 1HH1 ARG 59 30.522 -7.109 3.119 1161 2HH2 ARG 59 2HH1 ARG 59 31.684 -7.311 1.850 1162 H ASP 60 H ASP 60 30.771 -14.056 6.309 1163 HA ASP 60 HA ASP 60 29.764 -15.734 4.238 1164 1HB ASP 60 1HB ASP 60 32.155 -15.289 5.004 1165 2HB ASP 60 2HB ASP 60 31.857 -16.430 6.315 1166 H GLN 61 H GLN 61 29.421 -15.900 7.730 1167 HA GLN 61 HA GLN 61 28.719 -18.676 7.962 1168 1HB GLN 61 1HB GLN 61 28.095 -16.172 9.550 1169 2HB GLN 61 2HB GLN 61 27.623 -17.784 10.093 1170 1HG GLN 61 1HG GLN 61 30.042 -18.476 9.870 1171 2HG GLN 61 2HG GLN 61 30.435 -16.782 9.572 1172 1HE2 GLN 61 2HE2 GLN 61 31.171 -15.804 11.456 1173 2HE2 GLN 61 1HE2 GLN 61 30.579 -16.116 13.016 1174 H PHE 62 H PHE 62 26.615 -15.771 7.831 1175 HA PHE 62 HA PHE 62 24.117 -17.082 7.747 1176 1HB PHE 62 1HB PHE 62 24.269 -14.721 8.086 1177 2HB PHE 62 2HB PHE 62 25.181 -14.495 6.594 1178 HD1 PHE 62 HD1 PHE 62 21.894 -14.706 8.085 1179 HD2 PHE 62 HD2 PHE 62 24.036 -14.964 4.371 1180 HE1 PHE 62 HE1 PHE 62 19.775 -14.369 6.838 1181 HE2 PHE 62 HE2 PHE 62 21.919 -14.627 3.124 1182 HZ PHE 62 HZ PHE 62 19.787 -14.331 4.358 1183 H LEU 63 H LEU 63 26.206 -16.075 5.016 1184 HA LEU 63 HA LEU 63 24.522 -16.953 2.900 1185 1HB LEU 63 1HB LEU 63 27.547 -16.866 3.144 1186 2HB LEU 63 2HB LEU 63 26.654 -16.928 1.623 1187 HG LEU 63 HG LEU 63 26.128 -14.766 3.660 1188 1HD1 LEU 63 1HD1 LEU 63 27.749 -13.902 1.419 1189 2HD1 LEU 63 2HD1 LEU 63 28.041 -13.694 3.146 1190 3HD1 LEU 63 3HD1 LEU 63 28.579 -15.163 2.331 1191 1HD2 LEU 63 1HD2 LEU 63 24.610 -14.145 2.116 1192 2HD2 LEU 63 2HD2 LEU 63 25.895 -13.980 0.920 1193 3HD2 LEU 63 3HD2 LEU 63 25.064 -15.523 1.114 1194 H SER 64 H SER 64 26.443 -18.771 5.153 1195 HA SER 64 HA SER 64 26.427 -21.211 3.466 1196 1HB SER 64 1HB SER 64 28.379 -21.331 4.619 1197 2HB SER 64 2HB SER 64 27.846 -20.122 5.782 1198 HG SER 64 HG SER 64 28.171 -22.553 6.343 1199 H GLN 65 H GLN 65 24.637 -19.769 6.086 1200 HA GLN 65 HA GLN 65 23.318 -22.338 6.785 1201 1HB GLN 65 1HB GLN 65 22.960 -19.531 7.886 1202 2HB GLN 65 2HB GLN 65 22.434 -21.034 8.645 1203 1HG GLN 65 1HG GLN 65 25.293 -20.999 7.951 1204 2HG GLN 65 2HG GLN 65 24.835 -19.782 9.142 1205 1HE2 GLN 65 2HE2 GLN 65 26.028 -21.084 10.792 1206 2HE2 GLN 65 1HE2 GLN 65 25.304 -22.471 11.451 1207 H VAL 66 H VAL 66 22.790 -19.421 4.956 1208 HA VAL 66 HA VAL 66 19.862 -19.907 4.777 1209 HB VAL 66 HB VAL 66 21.684 -17.727 3.708 1210 1HG1 VAL 66 1HG1 VAL 66 19.567 -17.994 2.430 1211 2HG1 VAL 66 2HG1 VAL 66 18.660 -17.833 3.934 1212 3HG1 VAL 66 3HG1 VAL 66 19.609 -16.477 3.327 1213 1HG2 VAL 66 1HG2 VAL 66 21.656 -16.946 5.821 1214 2HG2 VAL 66 2HG2 VAL 66 19.901 -16.797 5.708 1215 3HG2 VAL 66 3HG2 VAL 66 20.622 -18.281 6.330 1216 H LYS 67 H LYS 67 19.435 -21.527 3.287 1217 HA LYS 67 HA LYS 67 21.038 -22.222 1.037 1218 1HB LYS 67 1HB LYS 67 18.930 -23.381 0.330 1219 2HB LYS 67 2HB LYS 67 19.323 -23.663 2.026 1220 1HG LYS 67 1HG LYS 67 17.828 -21.480 2.359 1221 2HG LYS 67 2HG LYS 67 17.125 -22.025 0.836 1222 1HD LYS 67 1HD LYS 67 17.518 -24.183 2.796 1223 2HD LYS 67 2HD LYS 67 16.382 -22.941 3.324 1224 1HE LYS 67 1HE LYS 67 16.179 -24.060 0.531 1225 2HE LYS 67 2HE LYS 67 15.457 -24.932 1.897 1226 1HZ LYS 67 1HZ LYS 67 14.150 -23.020 0.680 1227 2HZ LYS 67 2HZ LYS 67 15.052 -22.036 1.732 1228 3HZ LYS 67 3HZ LYS 67 14.026 -23.237 2.359 1229 H ILE 68 H ILE 68 21.577 -20.548 -0.376 1230 HA ILE 68 HA ILE 68 19.524 -18.617 -1.265 1231 HB ILE 68 HB ILE 68 22.484 -19.049 -1.697 1232 1HG1 ILE 68 1HG1 ILE 68 20.907 -16.728 -0.540 1233 2HG1 ILE 68 2HG1 ILE 68 21.642 -18.009 0.426 1234 1HG2 ILE 68 1HG2 ILE 68 22.272 -16.755 -2.905 1235 2HG2 ILE 68 2HG2 ILE 68 21.865 -18.213 -3.811 1236 3HG2 ILE 68 3HG2 ILE 68 20.583 -17.205 -3.137 1237 1HD1 ILE 68 1HD1 ILE 68 23.610 -16.925 0.369 1238 2HD1 ILE 68 2HD1 ILE 68 23.620 -17.039 -1.391 1239 3HD1 ILE 68 3HD1 ILE 68 22.880 -15.647 -0.600 1240 HA PRO 69 HA PRO 69 18.452 -21.779 -4.378 1241 1HB PRO 69 1HB PRO 69 16.698 -20.139 -5.689 1242 2HB PRO 69 2HB PRO 69 16.258 -21.056 -4.234 1243 1HG PRO 69 1HG PRO 69 16.992 -18.187 -4.511 1244 2HG PRO 69 2HG PRO 69 15.766 -18.946 -3.484 1245 1HD PRO 69 1HD PRO 69 18.193 -18.120 -2.565 1246 2HD PRO 69 2HD PRO 69 17.271 -19.454 -1.838 1247 H LYS 70 H LYS 70 18.825 -21.768 -6.738 1248 HA LYS 70 HA LYS 70 21.158 -20.319 -7.542 1249 1HB LYS 70 1HB LYS 70 19.026 -21.957 -8.911 1250 2HB LYS 70 2HB LYS 70 20.324 -21.212 -9.845 1251 1HG LYS 70 1HG LYS 70 21.831 -22.314 -7.938 1252 2HG LYS 70 2HG LYS 70 20.461 -23.420 -7.836 1253 1HD LYS 70 1HD LYS 70 22.137 -22.800 -10.281 1254 2HD LYS 70 2HD LYS 70 22.000 -24.345 -9.443 1255 1HE LYS 70 1HE LYS 70 19.442 -24.130 -9.985 1256 2HE LYS 70 2HE LYS 70 19.988 -22.981 -11.223 1257 1HZ LYS 70 1HZ LYS 70 20.977 -25.760 -10.846 1258 2HZ LYS 70 2HZ LYS 70 21.603 -24.650 -11.970 1259 3HZ LYS 70 3HZ LYS 70 20.006 -25.211 -12.123 1260 H THR 71 H THR 71 17.859 -19.373 -7.422 1261 HA THR 71 HA THR 71 18.026 -17.415 -9.612 1262 HB THR 71 HB THR 71 15.730 -17.004 -9.028 1263 HG1 THR 71 HG1 THR 71 16.240 -18.419 -6.627 1264 1HG2 THR 71 1HG2 THR 71 16.462 -19.358 -9.876 1265 2HG2 THR 71 2HG2 THR 71 16.061 -19.890 -8.243 1266 3HG2 THR 71 3HG2 THR 71 14.823 -19.154 -9.260 1267 H ILE 72 H ILE 72 18.672 -17.512 -6.190 1268 HA ILE 72 HA ILE 72 18.575 -14.560 -5.929 1269 HB ILE 72 HB ILE 72 18.967 -16.933 -4.107 1270 1HG1 ILE 72 1HG1 ILE 72 16.672 -16.343 -4.655 1271 2HG1 ILE 72 2HG1 ILE 72 16.989 -15.872 -2.985 1272 1HG2 ILE 72 1HG2 ILE 72 19.311 -15.397 -2.235 1273 2HG2 ILE 72 2HG2 ILE 72 20.579 -15.152 -3.436 1274 3HG2 ILE 72 3HG2 ILE 72 19.238 -14.013 -3.324 1275 1HD1 ILE 72 1HD1 ILE 72 16.113 -13.875 -3.659 1276 2HD1 ILE 72 2HD1 ILE 72 17.739 -13.604 -4.284 1277 3HD1 ILE 72 3HD1 ILE 72 16.468 -14.181 -5.358 1278 H THR 73 H THR 73 20.377 -13.511 -6.679 1279 HA THR 73 HA THR 73 23.021 -14.862 -6.610 1280 HB THR 73 HB THR 73 22.212 -12.147 -7.695 1281 HG1 THR 73 HG1 THR 73 22.118 -14.739 -8.820 1282 1HG2 THR 73 1HG2 THR 73 24.357 -13.868 -8.854 1283 2HG2 THR 73 2HG2 THR 73 24.256 -12.110 -8.759 1284 3HG2 THR 73 3HG2 THR 73 24.700 -13.046 -7.332 1285 H VAL 74 H VAL 74 24.756 -14.071 -5.365 1286 HA VAL 74 HA VAL 74 24.003 -12.348 -3.089 1287 HB VAL 74 HB VAL 74 25.356 -14.598 -3.181 1288 1HG1 VAL 74 1HG1 VAL 74 27.805 -14.209 -3.271 1289 2HG1 VAL 74 2HG1 VAL 74 27.027 -13.844 -4.811 1290 3HG1 VAL 74 3HG1 VAL 74 27.508 -12.533 -3.734 1291 1HG2 VAL 74 1HG2 VAL 74 26.706 -12.517 -1.507 1292 2HG2 VAL 74 2HG2 VAL 74 24.979 -12.784 -1.269 1293 3HG2 VAL 74 3HG2 VAL 74 26.117 -14.114 -1.048 1294 H SER 75 H SER 75 25.741 -10.735 -2.381 1295 HA SER 75 HA SER 75 27.081 -9.374 -4.673 1296 1HB SER 75 1HB SER 75 24.669 -8.567 -3.273 1297 2HB SER 75 2HB SER 75 25.925 -7.343 -3.116 1298 HG SER 75 HG SER 75 24.427 -7.478 -5.097 1299 H THR 76 H THR 76 28.816 -7.960 -3.986 1300 HA THR 76 HA THR 76 29.550 -8.173 -1.086 1301 HB THR 76 HB THR 76 31.894 -8.518 -1.896 1302 HG1 THR 76 HG1 THR 76 32.201 -8.907 -4.075 1303 1HG2 THR 76 1HG2 THR 76 30.603 -10.698 -3.330 1304 2HG2 THR 76 2HG2 THR 76 31.507 -10.736 -1.815 1305 3HG2 THR 76 3HG2 THR 76 29.787 -10.346 -1.806 1306 H GLY 77 H GLY 77 30.226 -6.226 -0.207 1307 1HA GLY 77 1HA GLY 77 31.469 -4.134 -1.769 1308 2HA GLY 77 2HA GLY 77 29.780 -3.756 -1.431 1309 H PHE 78 H PHE 78 31.013 -1.931 -0.240 1310 HA PHE 78 HA PHE 78 31.227 -2.723 2.621 1311 1HB PHE 78 1HB PHE 78 33.434 -2.401 0.941 1312 2HB PHE 78 2HB PHE 78 33.329 -0.864 1.800 1313 HD1 PHE 78 HD1 PHE 78 35.090 -1.002 3.381 1314 HD2 PHE 78 HD2 PHE 78 32.303 -4.248 2.990 1315 HE1 PHE 78 HE1 PHE 78 36.050 -2.069 5.405 1316 HE2 PHE 78 HE2 PHE 78 33.262 -5.315 5.015 1317 HZ PHE 78 HZ PHE 78 35.135 -4.226 6.221 1318 H MET 79 H MET 79 30.561 -1.025 4.006 1319 HA MET 79 HA MET 79 29.981 1.614 2.710 1320 1HB MET 79 1HB MET 79 28.178 -0.434 3.688 1321 2HB MET 79 2HB MET 79 27.943 1.070 4.580 1322 1HG MET 79 1HG MET 79 28.115 1.011 1.564 1323 2HG MET 79 2HG MET 79 26.586 0.799 2.418 1324 1HE MET 79 1HE MET 79 25.355 2.200 3.527 1325 2HE MET 79 2HE MET 79 26.340 2.912 4.803 1326 3HE MET 79 3HE MET 79 25.466 3.952 3.670 1327 H SER 80 H SER 80 29.895 3.396 4.234 1328 HA SER 80 HA SER 80 30.817 2.812 7.012 1329 1HB SER 80 1HB SER 80 32.271 5.054 6.146 1330 2HB SER 80 2HB SER 80 32.905 3.430 6.398 1331 HG SER 80 HG SER 80 33.001 3.174 4.313 1332 H ILE 81 H ILE 81 29.124 3.729 8.140 1333 HA ILE 81 HA ILE 81 27.810 6.186 7.156 1334 HB ILE 81 HB ILE 81 27.412 4.419 9.594 1335 1HG1 ILE 81 1HG1 ILE 81 25.981 4.573 6.920 1336 2HG1 ILE 81 2HG1 ILE 81 26.988 3.241 7.489 1337 1HG2 ILE 81 1HG2 ILE 81 25.140 5.997 8.651 1338 2HG2 ILE 81 2HG2 ILE 81 25.786 5.830 10.283 1339 3HG2 ILE 81 3HG2 ILE 81 26.484 7.010 9.175 1340 1HD1 ILE 81 1HD1 ILE 81 24.929 2.410 8.108 1341 2HD1 ILE 81 2HD1 ILE 81 25.285 3.354 9.555 1342 3HD1 ILE 81 3HD1 ILE 81 24.226 4.015 8.309 Start of MODEL 18 1 1H MET 1 1H MET 1 13.580 1.917 -16.540 2 2H MET 1 2H MET 1 14.431 0.452 -16.424 3 3H MET 1 3H MET 1 14.491 1.575 -15.151 4 HA MET 1 HA MET 1 12.490 -0.427 -15.744 5 1HB MET 1 1HB MET 1 13.235 1.256 -13.327 6 2HB MET 1 2HB MET 1 12.284 -0.230 -13.303 7 1HG MET 1 1HG MET 1 14.131 -1.529 -13.411 8 2HG MET 1 2HG MET 1 14.831 -0.556 -14.704 9 1HE MET 1 1HE MET 1 14.632 -0.881 -10.609 10 2HE MET 1 2HE MET 1 14.664 0.865 -10.385 11 3HE MET 1 3HE MET 1 13.406 0.120 -11.382 12 H THR 2 H THR 2 10.504 0.427 -13.974 13 HA THR 2 HA THR 2 9.238 2.632 -15.546 14 HB THR 2 HB THR 2 7.240 1.518 -14.110 15 HG1 THR 2 HG1 THR 2 8.715 0.102 -13.069 16 1HG2 THR 2 1HG2 THR 2 8.071 -0.205 -16.354 17 2HG2 THR 2 2HG2 THR 2 8.037 1.519 -16.729 18 3HG2 THR 2 3HG2 THR 2 6.584 0.717 -16.132 19 HA PRO 3 HA PRO 3 10.057 4.866 -11.726 20 1HB PRO 3 1HB PRO 3 9.367 7.325 -12.689 21 2HB PRO 3 2HB PRO 3 10.953 6.588 -12.985 22 1HG PRO 3 1HG PRO 3 8.660 6.914 -14.804 23 2HG PRO 3 2HG PRO 3 10.388 6.810 -15.164 24 1HD PRO 3 1HD PRO 3 8.487 4.759 -15.450 25 2HD PRO 3 2HD PRO 3 10.250 4.593 -15.544 26 H ILE 4 H ILE 4 8.562 5.488 -10.115 27 HA ILE 4 HA ILE 4 5.738 5.975 -10.936 28 HB ILE 4 HB ILE 4 4.973 4.220 -9.416 29 1HG1 ILE 4 1HG1 ILE 4 7.688 3.138 -8.946 30 2HG1 ILE 4 2HG1 ILE 4 7.324 4.636 -8.088 31 1HG2 ILE 4 1HG2 ILE 4 7.228 3.105 -11.102 32 2HG2 ILE 4 2HG2 ILE 4 5.699 3.662 -11.782 33 3HG2 ILE 4 3HG2 ILE 4 5.720 2.302 -10.660 34 1HD1 ILE 4 1HD1 ILE 4 6.038 3.520 -6.618 35 2HD1 ILE 4 2HD1 ILE 4 6.493 2.010 -7.406 36 3HD1 ILE 4 3HD1 ILE 4 5.050 2.879 -7.929 37 H VAL 5 H VAL 5 4.430 6.766 -9.069 38 HA VAL 5 HA VAL 5 5.999 7.881 -6.791 39 HB VAL 5 HB VAL 5 4.856 10.097 -7.270 40 1HG1 VAL 5 1HG1 VAL 5 6.941 8.822 -8.970 41 2HG1 VAL 5 2HG1 VAL 5 7.042 10.256 -7.953 42 3HG1 VAL 5 3HG1 VAL 5 6.278 10.351 -9.540 43 1HG2 VAL 5 1HG2 VAL 5 3.055 9.711 -8.668 44 2HG2 VAL 5 2HG2 VAL 5 3.894 8.454 -9.577 45 3HG2 VAL 5 3HG2 VAL 5 4.264 10.153 -9.873 46 H HIS 6 H HIS 6 4.679 8.180 -4.919 47 HA HIS 6 HA HIS 6 1.943 6.994 -5.137 48 1HB HIS 6 1HB HIS 6 4.193 6.876 -3.278 49 2HB HIS 6 2HB HIS 6 2.672 7.216 -2.454 50 HD1 HIS 6 HD1 HIS 6 2.440 4.837 -1.464 51 HD2 HIS 6 HD2 HIS 6 2.698 4.886 -5.623 52 HE1 HIS 6 HE1 HIS 6 1.799 2.515 -2.248 53 H LEU 7 H LEU 7 0.209 8.329 -4.858 54 HA LEU 7 HA LEU 7 0.676 11.012 -3.595 55 1HB LEU 7 1HB LEU 7 -0.479 10.109 -6.089 56 2HB LEU 7 2HB LEU 7 -1.686 10.994 -5.153 57 HG LEU 7 HG LEU 7 0.350 12.667 -4.776 58 1HD1 LEU 7 1HD1 LEU 7 1.024 12.045 -7.580 59 2HD1 LEU 7 2HD1 LEU 7 1.576 10.842 -6.413 60 3HD1 LEU 7 3HD1 LEU 7 2.078 12.526 -6.249 61 1HD2 LEU 7 1HD2 LEU 7 -0.419 13.842 -6.910 62 2HD2 LEU 7 2HD2 LEU 7 -1.697 13.401 -5.778 63 3HD2 LEU 7 3HD2 LEU 7 -1.420 12.423 -7.220 64 H LYS 8 H LYS 8 -0.616 11.519 -1.842 65 HA LYS 8 HA LYS 8 -3.019 9.815 -1.294 66 1HB LYS 8 1HB LYS 8 -0.798 9.111 -0.174 67 2HB LYS 8 2HB LYS 8 -0.957 10.584 0.782 68 1HG LYS 8 1HG LYS 8 -3.445 9.558 1.098 69 2HG LYS 8 2HG LYS 8 -2.526 8.067 0.910 70 1HD LYS 8 1HD LYS 8 -1.900 10.283 2.882 71 2HD LYS 8 2HD LYS 8 -2.641 8.732 3.282 72 1HE LYS 8 1HE LYS 8 -0.659 7.523 2.752 73 2HE LYS 8 2HE LYS 8 0.049 8.908 1.898 74 1HZ LYS 8 1HZ LYS 8 0.533 9.979 3.820 75 2HZ LYS 8 2HZ LYS 8 0.603 8.394 4.426 76 3HZ LYS 8 3HZ LYS 8 -0.792 9.334 4.658 77 H GLY 9 H GLY 9 -4.432 10.853 0.398 78 1HA GLY 9 1HA GLY 9 -4.303 13.234 1.671 79 2HA GLY 9 2HA GLY 9 -4.508 13.771 0.002 80 H ASP 10 H ASP 10 -6.539 14.634 1.272 81 HA ASP 10 HA ASP 10 -8.668 12.841 1.965 82 1HB ASP 10 1HB ASP 10 -8.276 15.734 1.340 83 2HB ASP 10 2HB ASP 10 -9.931 15.124 1.313 84 H ALA 11 H ALA 11 -10.212 11.857 0.671 85 HA ALA 11 HA ALA 11 -9.852 11.352 -2.056 86 1HB ALA 11 1HB ALA 11 -11.456 10.366 -0.267 87 2HB ALA 11 2HB ALA 11 -12.572 11.635 -0.775 88 3HB ALA 11 3HB ALA 11 -12.029 10.422 -1.934 89 H ASN 12 H ASN 12 -11.164 14.211 -0.538 90 HA ASN 12 HA ASN 12 -12.626 15.252 -2.796 91 1HB ASN 12 1HB ASN 12 -11.410 16.331 -0.259 92 2HB ASN 12 2HB ASN 12 -12.143 17.431 -1.427 93 1HD2 ASN 12 1HD2 ASN 12 -12.822 15.036 1.027 94 2HD2 ASN 12 2HD2 ASN 12 -14.514 15.111 0.911 95 H THR 13 H THR 13 -9.457 16.284 -1.466 96 HA THR 13 HA THR 13 -8.695 17.951 -3.631 97 HB THR 13 HB THR 13 -6.416 16.645 -2.489 98 HG1 THR 13 HG1 THR 13 -7.466 15.827 -0.820 99 1HG2 THR 13 1HG2 THR 13 -7.749 19.277 -2.485 100 2HG2 THR 13 2HG2 THR 13 -6.044 18.877 -2.695 101 3HG2 THR 13 3HG2 THR 13 -6.738 18.958 -1.076 102 H LEU 14 H LEU 14 -8.748 14.477 -3.372 103 HA LEU 14 HA LEU 14 -6.773 13.835 -5.360 104 1HB LEU 14 1HB LEU 14 -9.135 12.516 -4.056 105 2HB LEU 14 2HB LEU 14 -8.365 11.720 -5.430 106 HG LEU 14 HG LEU 14 -6.867 12.684 -2.978 107 1HD1 LEU 14 1HD1 LEU 14 -8.554 10.399 -3.304 108 2HD1 LEU 14 2HD1 LEU 14 -7.524 10.804 -1.931 109 3HD1 LEU 14 3HD1 LEU 14 -6.882 9.837 -3.259 110 1HD2 LEU 14 1HD2 LEU 14 -5.061 12.302 -4.271 111 2HD2 LEU 14 2HD2 LEU 14 -6.088 11.762 -5.599 112 3HD2 LEU 14 3HD2 LEU 14 -5.541 10.609 -4.383 113 H LYS 15 H LYS 15 -10.324 14.252 -5.570 114 HA LYS 15 HA LYS 15 -10.617 13.648 -8.335 115 1HB LYS 15 1HB LYS 15 -12.303 14.071 -6.376 116 2HB LYS 15 2HB LYS 15 -12.215 15.755 -6.893 117 1HG LYS 15 1HG LYS 15 -12.773 14.993 -9.226 118 2HG LYS 15 2HG LYS 15 -13.046 13.376 -8.575 119 1HD LYS 15 1HD LYS 15 -14.432 15.451 -7.047 120 2HD LYS 15 2HD LYS 15 -14.946 15.392 -8.734 121 1HE LYS 15 1HE LYS 15 -15.216 12.875 -8.456 122 2HE LYS 15 2HE LYS 15 -14.989 13.130 -6.713 123 1HZ LYS 15 1HZ LYS 15 -17.092 14.257 -8.467 124 2HZ LYS 15 2HZ LYS 15 -16.725 14.940 -6.955 125 3HZ LYS 15 3HZ LYS 15 -17.287 13.340 -7.053 126 H CYS 16 H CYS 16 -9.592 16.608 -6.696 127 HA CYS 16 HA CYS 16 -9.851 18.370 -8.967 128 1HB CYS 16 1HB CYS 16 -9.519 18.715 -6.356 129 2HB CYS 16 2HB CYS 16 -7.812 18.742 -6.800 130 HG CYS 16 HG CYS 16 -8.939 20.606 -8.689 131 H LEU 17 H LEU 17 -7.124 16.469 -7.659 132 HA LEU 17 HA LEU 17 -5.086 17.424 -9.391 133 1HB LEU 17 1HB LEU 17 -5.556 14.675 -8.187 134 2HB LEU 17 2HB LEU 17 -4.009 15.264 -8.795 135 HG LEU 17 HG LEU 17 -5.603 16.485 -6.521 136 1HD1 LEU 17 1HD1 LEU 17 -4.181 15.417 -5.062 137 2HD1 LEU 17 2HD1 LEU 17 -2.836 15.428 -6.201 138 3HD1 LEU 17 3HD1 LEU 17 -4.126 14.239 -6.374 139 1HD2 LEU 17 1HD2 LEU 17 -3.431 17.823 -6.268 140 2HD2 LEU 17 2HD2 LEU 17 -4.454 18.258 -7.637 141 3HD2 LEU 17 3HD2 LEU 17 -3.018 17.265 -7.890 142 H ARG 18 H ARG 18 -7.158 14.524 -9.780 143 HA ARG 18 HA ARG 18 -6.252 13.607 -12.265 144 1HB ARG 18 1HB ARG 18 -8.083 12.757 -10.628 145 2HB ARG 18 2HB ARG 18 -9.182 13.768 -11.570 146 1HG ARG 18 1HG ARG 18 -8.607 12.588 -13.612 147 2HG ARG 18 2HG ARG 18 -7.361 11.663 -12.774 148 1HD ARG 18 1HD ARG 18 -8.971 10.434 -11.514 149 2HD ARG 18 2HD ARG 18 -10.275 11.558 -11.947 150 HE ARG 18 HE ARG 18 -9.404 9.363 -13.576 151 1HH1 ARG 18 1HH2 ARG 18 -11.134 12.272 -13.496 152 2HH1 ARG 18 2HH2 ARG 18 -11.306 12.406 -15.213 153 1HH2 ARG 18 1HH1 ARG 18 -9.249 9.701 -15.901 154 2HH2 ARG 18 2HH1 ARG 18 -10.240 10.950 -16.575 155 H TYR 19 H TYR 19 -8.091 16.508 -11.576 156 HA TYR 19 HA TYR 19 -9.213 16.962 -14.175 157 1HB TYR 19 1HB TYR 19 -9.891 18.131 -12.121 158 2HB TYR 19 2HB TYR 19 -8.292 18.866 -11.996 159 HD1 TYR 19 HD1 TYR 19 -11.585 19.224 -13.328 160 HD2 TYR 19 HD2 TYR 19 -7.476 20.263 -14.036 161 HE1 TYR 19 HE1 TYR 19 -12.309 21.070 -14.818 162 HE2 TYR 19 HE2 TYR 19 -8.200 22.108 -15.527 163 HH TYR 19 HH TYR 19 -11.518 22.469 -16.531 164 H ARG 20 H ARG 20 -6.079 17.890 -12.741 165 HA ARG 20 HA ARG 20 -5.212 19.367 -15.099 166 1HB ARG 20 1HB ARG 20 -4.038 18.391 -12.509 167 2HB ARG 20 2HB ARG 20 -2.962 19.014 -13.763 168 1HG ARG 20 1HG ARG 20 -4.199 21.122 -13.828 169 2HG ARG 20 2HG ARG 20 -5.358 20.505 -12.650 170 1HD ARG 20 1HD ARG 20 -2.388 20.699 -12.061 171 2HD ARG 20 2HD ARG 20 -3.540 21.988 -11.662 172 HE ARG 20 HE ARG 20 -3.485 19.288 -10.444 173 1HH1 ARG 20 1HH1 ARG 20 -3.558 21.903 -8.918 174 2HH1 ARG 20 2HH1 ARG 20 -5.209 21.952 -8.396 175 1HH2 ARG 20 1HH2 ARG 20 -6.263 19.520 -10.632 176 2HH2 ARG 20 2HH2 ARG 20 -6.743 20.603 -9.367 177 H PHE 21 H PHE 21 -5.343 16.036 -14.239 178 HA PHE 21 HA PHE 21 -3.059 15.038 -15.675 179 1HB PHE 21 1HB PHE 21 -5.708 13.963 -14.722 180 2HB PHE 21 2HB PHE 21 -4.644 12.948 -15.693 181 HD1 PHE 21 HD1 PHE 21 -3.364 15.541 -13.391 182 HD2 PHE 21 HD2 PHE 21 -4.174 11.352 -13.920 183 HE1 PHE 21 HE1 PHE 21 -2.016 15.027 -11.375 184 HE2 PHE 21 HE2 PHE 21 -2.825 10.839 -11.903 185 HZ PHE 21 HZ PHE 21 -1.746 12.675 -10.630 186 H LYS 22 H LYS 22 -6.331 15.942 -16.648 187 HA LYS 22 HA LYS 22 -6.388 14.693 -19.222 188 1HB LYS 22 1HB LYS 22 -7.719 17.014 -17.853 189 2HB LYS 22 2HB LYS 22 -8.000 16.761 -19.576 190 1HG LYS 22 1HG LYS 22 -8.407 14.647 -17.440 191 2HG LYS 22 2HG LYS 22 -9.700 15.617 -18.148 192 1HD LYS 22 1HD LYS 22 -8.426 14.682 -20.391 193 2HD LYS 22 2HD LYS 22 -8.240 13.322 -19.283 194 1HE LYS 22 1HE LYS 22 -10.497 12.878 -19.243 195 2HE LYS 22 2HE LYS 22 -10.938 14.592 -19.378 196 1HZ LYS 22 1HZ LYS 22 -10.068 12.736 -21.502 197 2HZ LYS 22 2HZ LYS 22 -9.841 14.410 -21.681 198 3HZ LYS 22 3HZ LYS 22 -11.406 13.777 -21.484 199 H LYS 23 H LYS 23 -5.032 17.765 -18.092 200 HA LYS 23 HA LYS 23 -4.439 18.800 -20.747 201 1HB LYS 23 1HB LYS 23 -3.512 19.430 -17.928 202 2HB LYS 23 2HB LYS 23 -3.038 20.386 -19.334 203 1HG LYS 23 1HG LYS 23 -5.883 19.883 -18.409 204 2HG LYS 23 2HG LYS 23 -4.993 21.396 -18.236 205 1HD LYS 23 1HD LYS 23 -4.677 21.196 -20.831 206 2HD LYS 23 2HD LYS 23 -6.062 20.108 -20.731 207 1HE LYS 23 1HE LYS 23 -7.227 21.977 -19.389 208 2HE LYS 23 2HE LYS 23 -5.934 23.037 -19.986 209 1HZ LYS 23 1HZ LYS 23 -6.447 22.460 -22.222 210 2HZ LYS 23 2HZ LYS 23 -7.908 22.910 -21.480 211 3HZ LYS 23 3HZ LYS 23 -7.553 21.269 -21.736 212 H HIS 24 H HIS 24 -2.463 17.323 -18.153 213 HA HIS 24 HA HIS 24 -0.192 17.023 -20.046 214 1HB HIS 24 1HB HIS 24 -0.379 16.255 -17.122 215 2HB HIS 24 2HB HIS 24 1.075 16.622 -18.050 216 HD1 HIS 24 HD1 HIS 24 1.242 19.191 -18.931 217 HD2 HIS 24 HD2 HIS 24 -1.508 18.471 -15.882 218 HE1 HIS 24 HE1 HIS 24 0.680 21.447 -17.925 219 H CYS 25 H CYS 25 -2.740 15.405 -20.224 220 HA CYS 25 HA CYS 25 -2.439 12.769 -19.240 221 1HB CYS 25 1HB CYS 25 -4.031 12.222 -20.992 222 2HB CYS 25 2HB CYS 25 -4.419 13.831 -20.384 223 HG CYS 25 HG CYS 25 -4.344 14.178 -22.915 224 H THR 26 H THR 26 -0.727 14.433 -21.772 225 HA THR 26 HA THR 26 0.375 11.896 -22.864 226 HB THR 26 HB THR 26 1.140 13.311 -24.656 227 HG1 THR 26 HG1 THR 26 0.354 15.537 -23.098 228 1HG2 THR 26 1HG2 THR 26 -1.393 14.736 -23.981 229 2HG2 THR 26 2HG2 THR 26 -1.457 12.981 -24.132 230 3HG2 THR 26 3HG2 THR 26 -0.909 13.962 -25.490 231 H LEU 27 H LEU 27 1.019 13.584 -20.197 232 HA LEU 27 HA LEU 27 3.942 13.922 -20.558 233 1HB LEU 27 1HB LEU 27 1.834 14.966 -18.898 234 2HB LEU 27 2HB LEU 27 3.101 14.293 -17.870 235 HG LEU 27 HG LEU 27 4.765 15.582 -19.323 236 1HD1 LEU 27 1HD1 LEU 27 3.975 16.695 -21.110 237 2HD1 LEU 27 2HD1 LEU 27 2.944 17.662 -20.054 238 3HD1 LEU 27 3HD1 LEU 27 2.343 16.146 -20.728 239 1HD2 LEU 27 1HD2 LEU 27 4.742 16.981 -17.557 240 2HD2 LEU 27 2HD2 LEU 27 3.141 16.378 -17.125 241 3HD2 LEU 27 3HD2 LEU 27 3.299 17.778 -18.186 242 H TYR 28 H TYR 28 1.670 11.955 -18.594 243 HA TYR 28 HA TYR 28 3.956 10.320 -17.634 244 1HB TYR 28 1HB TYR 28 2.106 9.322 -16.211 245 2HB TYR 28 2HB TYR 28 2.364 11.049 -15.974 246 HD1 TYR 28 HD1 TYR 28 0.622 12.600 -16.351 247 HD2 TYR 28 HD2 TYR 28 0.262 8.581 -17.827 248 HE1 TYR 28 HE1 TYR 28 -1.744 13.035 -16.955 249 HE2 TYR 28 HE2 TYR 28 -2.106 9.016 -18.431 250 HH TYR 28 HH TYR 28 -3.946 10.970 -17.351 251 H THR 29 H THR 29 3.328 7.830 -17.558 252 HA THR 29 HA THR 29 2.556 7.088 -20.338 253 HB THR 29 HB THR 29 3.990 5.640 -18.093 254 HG1 THR 29 HG1 THR 29 5.265 6.215 -20.453 255 1HG2 THR 29 1HG2 THR 29 4.318 3.827 -19.534 256 2HG2 THR 29 2HG2 THR 29 3.942 4.777 -20.972 257 3HG2 THR 29 3HG2 THR 29 2.650 4.285 -19.877 258 H ALA 30 H ALA 30 1.688 6.446 -16.949 259 HA ALA 30 HA ALA 30 -0.941 5.453 -17.809 260 1HB ALA 30 1HB ALA 30 1.320 3.704 -17.022 261 2HB ALA 30 2HB ALA 30 -0.234 3.311 -16.289 262 3HB ALA 30 3HB ALA 30 -0.072 3.348 -18.044 263 H VAL 31 H VAL 31 -2.277 6.429 -16.319 264 HA VAL 31 HA VAL 31 -1.252 7.049 -13.609 265 HB VAL 31 HB VAL 31 -3.570 8.146 -13.478 266 1HG1 VAL 31 1HG1 VAL 31 -2.416 9.370 -15.863 267 2HG1 VAL 31 2HG1 VAL 31 -1.188 8.966 -14.663 268 3HG1 VAL 31 3HG1 VAL 31 -2.540 10.009 -14.224 269 1HG2 VAL 31 1HG2 VAL 31 -4.415 6.587 -15.371 270 2HG2 VAL 31 2HG2 VAL 31 -3.603 7.709 -16.465 271 3HG2 VAL 31 3HG2 VAL 31 -4.906 8.280 -15.422 272 H SER 32 H SER 32 -1.222 5.107 -12.441 273 HA SER 32 HA SER 32 -2.906 2.900 -12.564 274 1HB SER 32 1HB SER 32 -2.124 2.456 -10.331 275 2HB SER 32 2HB SER 32 -0.839 3.343 -11.148 276 HG SER 32 HG SER 32 -2.743 4.278 -9.271 277 H SER 33 H SER 33 -4.938 2.357 -11.702 278 HA SER 33 HA SER 33 -6.903 4.406 -11.372 279 1HB SER 33 1HB SER 33 -8.343 2.566 -10.989 280 2HB SER 33 2HB SER 33 -7.048 1.875 -11.962 281 HG SER 33 HG SER 33 -6.196 0.947 -10.179 282 H THR 34 H THR 34 -8.177 4.762 -9.312 283 HA THR 34 HA THR 34 -6.451 5.502 -7.123 284 HB THR 34 HB THR 34 -9.458 5.189 -7.378 285 HG1 THR 34 HG1 THR 34 -8.755 6.743 -8.748 286 1HG2 THR 34 1HG2 THR 34 -7.969 5.500 -5.045 287 2HG2 THR 34 2HG2 THR 34 -9.681 5.881 -5.244 288 3HG2 THR 34 3HG2 THR 34 -8.465 7.142 -5.456 289 H TRP 35 H TRP 35 -5.604 4.109 -5.646 290 HA TRP 35 HA TRP 35 -7.282 1.878 -4.615 291 1HB TRP 35 1HB TRP 35 -5.613 0.244 -5.157 292 2HB TRP 35 2HB TRP 35 -5.829 1.204 -6.619 293 HD1 TRP 35 HD1 TRP 35 -3.946 3.077 -7.140 294 HE1 TRP 35 HE1 TRP 35 -1.451 3.163 -6.496 295 HE3 TRP 35 HE3 TRP 35 -3.889 -0.391 -3.395 296 HZ2 TRP 35 HZ2 TRP 35 0.334 1.918 -4.633 297 HZ3 TRP 35 HZ3 TRP 35 -1.783 -0.924 -2.203 298 HH2 TRP 35 HH2 TRP 35 0.324 0.226 -2.818 299 H HIS 36 H HIS 36 -5.611 0.704 -2.855 300 HA HIS 36 HA HIS 36 -3.885 2.657 -1.503 301 1HB HIS 36 1HB HIS 36 -6.023 3.515 -0.842 302 2HB HIS 36 2HB HIS 36 -6.637 1.899 -0.498 303 HD1 HIS 36 HD1 HIS 36 -6.313 1.037 1.838 304 HD2 HIS 36 HD2 HIS 36 -3.885 4.330 1.044 305 HE1 HIS 36 HE1 HIS 36 -5.192 1.643 4.026 306 H TRP 37 H TRP 37 -3.153 1.726 0.666 307 HA TRP 37 HA TRP 37 -2.352 -1.065 0.305 308 1HB TRP 37 1HB TRP 37 -1.959 1.076 2.402 309 2HB TRP 37 2HB TRP 37 -1.306 -0.548 2.604 310 HD1 TRP 37 HD1 TRP 37 -0.122 2.620 1.603 311 HE1 TRP 37 HE1 TRP 37 1.802 2.484 -0.107 312 HE3 TRP 37 HE3 TRP 37 -0.662 -2.217 0.050 313 HZ2 TRP 37 HZ2 TRP 37 2.959 0.575 -1.897 314 HZ3 TRP 37 HZ3 TRP 37 0.863 -3.167 -1.658 315 HH2 TRP 37 HH2 TRP 37 2.671 -1.777 -2.632 316 H THR 38 H THR 38 -4.307 -2.305 0.491 317 HA THR 38 HA THR 38 -5.083 -3.032 3.177 318 HB THR 38 HB THR 38 -6.181 -0.863 3.099 319 HG1 THR 38 HG1 THR 38 -7.346 -2.728 3.919 320 1HG2 THR 38 1HG2 THR 38 -7.905 -0.434 1.316 321 2HG2 THR 38 2HG2 THR 38 -7.324 -1.876 0.483 322 3HG2 THR 38 3HG2 THR 38 -6.250 -0.495 0.712 323 H GLY 39 H GLY 39 -6.862 -4.675 3.131 324 1HA GLY 39 1HA GLY 39 -6.553 -6.558 1.026 325 2HA GLY 39 2HA GLY 39 -7.861 -6.587 2.210 326 H HIS 40 H HIS 40 -9.869 -6.323 1.374 327 HA HIS 40 HA HIS 40 -10.136 -4.769 -1.180 328 1HB HIS 40 1HB HIS 40 -11.562 -6.484 -2.018 329 2HB HIS 40 2HB HIS 40 -10.219 -7.345 -1.265 330 HD1 HIS 40 HD1 HIS 40 -13.846 -6.475 -0.737 331 HD2 HIS 40 HD2 HIS 40 -10.900 -8.818 1.057 332 HE1 HIS 40 HE1 HIS 40 -15.022 -7.909 0.987 333 H ASN 41 H ASN 41 -11.189 -5.234 2.049 334 HA ASN 41 HA ASN 41 -13.418 -3.297 1.596 335 1HB ASN 41 1HB ASN 41 -14.543 -5.379 1.625 336 2HB ASN 41 2HB ASN 41 -13.476 -6.034 2.867 337 1HD2 ASN 41 1HD2 ASN 41 -15.452 -3.013 2.653 338 2HD2 ASN 41 2HD2 ASN 41 -16.227 -3.245 4.146 339 H VAL 42 H VAL 42 -13.235 -1.641 3.051 340 HA VAL 42 HA VAL 42 -12.382 -2.142 5.821 341 HB VAL 42 HB VAL 42 -10.566 -0.240 5.331 342 1HG1 VAL 42 1HG1 VAL 42 -8.908 -1.968 5.264 343 2HG1 VAL 42 2HG1 VAL 42 -10.031 -3.105 4.517 344 3HG1 VAL 42 3HG1 VAL 42 -10.260 -2.614 6.195 345 1HG2 VAL 42 1HG2 VAL 42 -11.358 -0.240 2.872 346 2HG2 VAL 42 2HG2 VAL 42 -10.520 -1.785 2.733 347 3HG2 VAL 42 3HG2 VAL 42 -9.619 -0.329 3.155 348 H LYS 43 H LYS 43 -12.638 -0.171 7.150 349 HA LYS 43 HA LYS 43 -14.715 1.635 6.011 350 1HB LYS 43 1HB LYS 43 -13.773 0.826 8.763 351 2HB LYS 43 2HB LYS 43 -14.840 2.214 8.542 352 1HG LYS 43 1HG LYS 43 -16.550 0.860 7.555 353 2HG LYS 43 2HG LYS 43 -15.461 -0.520 7.404 354 1HD LYS 43 1HD LYS 43 -15.250 -0.450 9.953 355 2HD LYS 43 2HD LYS 43 -16.617 0.664 9.935 356 1HE LYS 43 1HE LYS 43 -17.120 -1.684 8.265 357 2HE LYS 43 2HE LYS 43 -16.808 -2.117 9.958 358 1HZ LYS 43 1HZ LYS 43 -18.412 0.257 9.618 359 2HZ LYS 43 2HZ LYS 43 -18.646 -1.070 10.652 360 3HZ LYS 43 3HZ LYS 43 -19.155 -1.150 9.033 361 H HIS 44 H HIS 44 -11.429 1.662 7.279 362 HA HIS 44 HA HIS 44 -11.112 4.414 7.874 363 1HB HIS 44 1HB HIS 44 -9.177 2.425 6.641 364 2HB HIS 44 2HB HIS 44 -8.717 3.916 7.464 365 HD1 HIS 44 HD1 HIS 44 -8.805 3.945 10.023 366 HD2 HIS 44 HD2 HIS 44 -10.256 0.394 8.390 367 HE1 HIS 44 HE1 HIS 44 -9.091 2.333 11.955 368 H LYS 45 H LYS 45 -9.830 5.992 6.486 369 HA LYS 45 HA LYS 45 -10.594 5.756 3.591 370 1HB LYS 45 1HB LYS 45 -10.546 8.205 5.389 371 2HB LYS 45 2HB LYS 45 -11.054 8.175 3.700 372 1HG LYS 45 1HG LYS 45 -12.802 6.454 4.378 373 2HG LYS 45 2HG LYS 45 -12.396 6.827 6.054 374 1HD LYS 45 1HD LYS 45 -12.856 9.260 5.518 375 2HD LYS 45 2HD LYS 45 -13.498 8.721 3.966 376 1HE LYS 45 1HE LYS 45 -15.154 7.299 5.138 377 2HE LYS 45 2HE LYS 45 -14.525 7.867 6.698 378 1HZ LYS 45 1HZ LYS 45 -16.280 9.319 6.191 379 2HZ LYS 45 2HZ LYS 45 -15.823 9.455 4.561 380 3HZ LYS 45 3HZ LYS 45 -14.880 10.182 5.774 381 H SER 46 H SER 46 -8.766 5.764 2.317 382 HA SER 46 HA SER 46 -6.591 7.662 2.817 383 1HB SER 46 1HB SER 46 -4.952 5.661 3.030 384 2HB SER 46 2HB SER 46 -5.921 6.077 4.442 385 HG SER 46 HG SER 46 -7.022 4.280 4.216 386 H ALA 47 H ALA 47 -8.397 6.912 0.592 387 HA ALA 47 HA ALA 47 -7.369 5.311 -1.429 388 1HB ALA 47 1HB ALA 47 -9.194 7.467 -1.107 389 2HB ALA 47 2HB ALA 47 -8.205 7.842 -2.518 390 3HB ALA 47 3HB ALA 47 -9.107 6.328 -2.451 391 H ILE 48 H ILE 48 -5.699 5.492 -2.944 392 HA ILE 48 HA ILE 48 -4.010 7.958 -2.908 393 HB ILE 48 HB ILE 48 -3.212 5.090 -2.364 394 1HG1 ILE 48 1HG1 ILE 48 -2.504 7.612 -0.857 395 2HG1 ILE 48 2HG1 ILE 48 -3.990 6.716 -0.529 396 1HG2 ILE 48 1HG2 ILE 48 -1.180 5.459 -3.257 397 2HG2 ILE 48 2HG2 ILE 48 -0.993 6.914 -2.279 398 3HG2 ILE 48 3HG2 ILE 48 -1.753 7.011 -3.866 399 1HD1 ILE 48 1HD1 ILE 48 -2.356 5.876 1.010 400 2HD1 ILE 48 2HD1 ILE 48 -1.140 5.736 -0.258 401 3HD1 ILE 48 3HD1 ILE 48 -2.527 4.647 -0.244 402 H VAL 49 H VAL 49 -2.872 8.288 -4.893 403 HA VAL 49 HA VAL 49 -3.668 6.434 -7.117 404 HB VAL 49 HB VAL 49 -3.145 9.424 -7.151 405 1HG1 VAL 49 1HG1 VAL 49 -4.462 9.102 -9.372 406 2HG1 VAL 49 2HG1 VAL 49 -4.019 7.403 -9.210 407 3HG1 VAL 49 3HG1 VAL 49 -2.762 8.634 -9.337 408 1HG2 VAL 49 1HG2 VAL 49 -5.238 8.395 -5.902 409 2HG2 VAL 49 2HG2 VAL 49 -5.842 8.165 -7.542 410 3HG2 VAL 49 3HG2 VAL 49 -5.438 9.783 -6.969 411 H THR 50 H THR 50 -1.917 5.392 -7.973 412 HA THR 50 HA THR 50 0.811 6.499 -7.563 413 HB THR 50 HB THR 50 -0.145 3.892 -8.798 414 HG1 THR 50 HG1 THR 50 -0.322 4.727 -6.304 415 1HG2 THR 50 1HG2 THR 50 2.288 4.849 -9.088 416 2HG2 THR 50 2HG2 THR 50 2.056 3.153 -8.664 417 3HG2 THR 50 3HG2 THR 50 2.480 4.323 -7.415 418 H LEU 51 H LEU 51 2.177 7.002 -9.395 419 HA LEU 51 HA LEU 51 0.796 7.012 -12.054 420 1HB LEU 51 1HB LEU 51 1.876 9.217 -10.381 421 2HB LEU 51 2HB LEU 51 2.221 9.317 -12.108 422 HG LEU 51 HG LEU 51 -0.430 8.591 -12.105 423 1HD1 LEU 51 1HD1 LEU 51 0.186 10.214 -9.647 424 2HD1 LEU 51 2HD1 LEU 51 -0.910 8.843 -9.825 425 3HD1 LEU 51 3HD1 LEU 51 -1.355 10.420 -10.478 426 1HD2 LEU 51 1HD2 LEU 51 -0.041 10.317 -13.548 427 2HD2 LEU 51 2HD2 LEU 51 1.146 11.067 -12.480 428 3HD2 LEU 51 3HD2 LEU 51 -0.577 11.321 -12.201 429 H THR 52 H THR 52 2.052 5.973 -13.504 430 HA THR 52 HA THR 52 4.972 5.671 -12.995 431 HB THR 52 HB THR 52 3.170 4.375 -15.067 432 HG1 THR 52 HG1 THR 52 3.640 3.862 -12.366 433 1HG2 THR 52 1HG2 THR 52 4.919 2.887 -15.461 434 2HG2 THR 52 2HG2 THR 52 5.664 3.190 -13.891 435 3HG2 THR 52 3HG2 THR 52 5.797 4.390 -15.176 436 H TYR 53 H TYR 53 6.498 6.473 -14.510 437 HA TYR 53 HA TYR 53 5.351 8.180 -16.695 438 1HB TYR 53 1HB TYR 53 7.761 8.531 -14.891 439 2HB TYR 53 2HB TYR 53 7.387 9.597 -16.248 440 HD1 TYR 53 HD1 TYR 53 5.973 8.222 -13.069 441 HD2 TYR 53 HD2 TYR 53 5.817 11.351 -16.011 442 HE1 TYR 53 HE1 TYR 53 4.380 9.482 -11.647 443 HE2 TYR 53 HE2 TYR 53 4.225 12.610 -14.586 444 HH TYR 53 HH TYR 53 3.367 12.754 -12.477 445 H ASP 54 H ASP 54 6.639 8.309 -18.646 446 HA ASP 54 HA ASP 54 7.903 5.791 -19.385 447 1HB ASP 54 1HB ASP 54 6.458 7.671 -20.659 448 2HB ASP 54 2HB ASP 54 8.074 8.235 -21.083 449 H SER 55 H SER 55 9.063 8.641 -17.915 450 HA SER 55 HA SER 55 11.843 7.744 -18.189 451 1HB SER 55 1HB SER 55 10.665 10.026 -19.729 452 2HB SER 55 2HB SER 55 12.319 10.179 -19.148 453 HG SER 55 HG SER 55 12.308 9.223 -21.187 454 H GLU 56 H GLU 56 12.807 8.250 -16.257 455 HA GLU 56 HA GLU 56 11.646 9.538 -14.091 456 1HB GLU 56 1HB GLU 56 14.105 8.446 -14.786 457 2HB GLU 56 2HB GLU 56 14.508 10.114 -14.378 458 1HG GLU 56 1HG GLU 56 12.637 9.189 -12.439 459 2HG GLU 56 2HG GLU 56 13.889 7.956 -12.600 460 H TRP 57 H TRP 57 13.566 11.039 -16.697 461 HA TRP 57 HA TRP 57 13.728 13.682 -15.734 462 1HB TRP 57 1HB TRP 57 14.690 12.522 -17.834 463 2HB TRP 57 2HB TRP 57 13.154 12.919 -18.603 464 HD1 TRP 57 HD1 TRP 57 13.686 14.890 -20.129 465 HE1 TRP 57 HE1 TRP 57 14.774 17.206 -19.819 466 HE3 TRP 57 HE3 TRP 57 15.336 14.455 -15.312 467 HZ2 TRP 57 HZ2 TRP 57 16.161 18.679 -17.795 468 HZ3 TRP 57 HZ3 TRP 57 16.535 16.328 -14.220 469 HH2 TRP 57 HH2 TRP 57 16.949 18.438 -15.454 470 H GLN 58 H GLN 58 11.160 12.267 -17.801 471 HA GLN 58 HA GLN 58 9.481 14.545 -17.937 472 1HB GLN 58 1HB GLN 58 8.841 12.882 -19.393 473 2HB GLN 58 2HB GLN 58 9.283 11.596 -18.274 474 1HG GLN 58 1HG GLN 58 6.801 11.791 -18.699 475 2HG GLN 58 2HG GLN 58 7.256 11.911 -17.001 476 1HE2 GLN 58 1HE2 GLN 58 4.950 13.047 -17.144 477 2HE2 GLN 58 2HE2 GLN 58 4.983 14.727 -17.373 478 H ARG 59 H ARG 59 9.672 11.983 -15.466 479 HA ARG 59 HA ARG 59 7.352 12.646 -13.963 480 1HB ARG 59 1HB ARG 59 8.775 10.625 -13.724 481 2HB ARG 59 2HB ARG 59 10.060 11.625 -13.046 482 1HG ARG 59 1HG ARG 59 8.434 12.349 -11.254 483 2HG ARG 59 2HG ARG 59 7.313 11.132 -11.869 484 1HD ARG 59 1HD ARG 59 8.670 10.259 -9.961 485 2HD ARG 59 2HD ARG 59 9.007 9.366 -11.457 486 HE ARG 59 HE ARG 59 11.081 10.637 -11.694 487 1HH1 ARG 59 1HH1 ARG 59 9.848 12.973 -10.015 488 2HH1 ARG 59 2HH1 ARG 59 10.902 12.933 -8.641 489 1HH2 ARG 59 1HH2 ARG 59 12.209 9.813 -9.400 490 2HH2 ARG 59 2HH2 ARG 59 12.240 11.146 -8.294 491 H ASP 60 H ASP 60 10.694 13.889 -13.665 492 HA ASP 60 HA ASP 60 10.257 15.560 -11.400 493 1HB ASP 60 1HB ASP 60 12.234 15.099 -13.501 494 2HB ASP 60 2HB ASP 60 12.174 16.794 -13.015 495 H GLN 61 H GLN 61 9.770 16.139 -14.876 496 HA GLN 61 HA GLN 61 9.242 18.956 -14.705 497 1HB GLN 61 1HB GLN 61 8.551 16.723 -16.617 498 2HB GLN 61 2HB GLN 61 8.027 18.380 -16.921 499 1HG GLN 61 1HG GLN 61 10.288 19.178 -16.978 500 2HG GLN 61 2HG GLN 61 10.909 17.646 -16.361 501 1HE2 GLN 61 1HE2 GLN 61 10.904 15.781 -17.844 502 2HE2 GLN 61 2HE2 GLN 61 10.770 16.007 -19.521 503 H PHE 62 H PHE 62 7.096 16.111 -14.545 504 HA PHE 62 HA PHE 62 4.586 17.403 -14.532 505 1HB PHE 62 1HB PHE 62 4.871 14.997 -14.697 506 2HB PHE 62 2HB PHE 62 5.635 14.937 -13.110 507 HD1 PHE 62 HD1 PHE 62 2.491 15.014 -14.930 508 HD2 PHE 62 HD2 PHE 62 4.289 15.512 -11.057 509 HE1 PHE 62 HE1 PHE 62 0.267 14.750 -13.861 510 HE2 PHE 62 HE2 PHE 62 2.065 15.247 -9.991 511 HZ PHE 62 HZ PHE 62 0.054 14.866 -11.393 512 H LEU 63 H LEU 63 6.693 16.574 -11.757 513 HA LEU 63 HA LEU 63 5.044 17.627 -9.695 514 1HB LEU 63 1HB LEU 63 7.975 17.115 -10.118 515 2HB LEU 63 2HB LEU 63 7.447 17.917 -8.639 516 HG LEU 63 HG LEU 63 6.140 15.367 -9.578 517 1HD1 LEU 63 1HD1 LEU 63 7.951 14.827 -7.455 518 2HD1 LEU 63 2HD1 LEU 63 8.860 15.681 -8.704 519 3HD1 LEU 63 3HD1 LEU 63 7.999 14.194 -9.101 520 1HD2 LEU 63 1HD2 LEU 63 6.543 16.089 -6.721 521 2HD2 LEU 63 2HD2 LEU 63 5.138 15.378 -7.513 522 3HD2 LEU 63 3HD2 LEU 63 5.435 17.112 -7.635 523 H SER 64 H SER 64 6.785 19.274 -12.169 524 HA SER 64 HA SER 64 6.870 21.820 -10.616 525 1HB SER 64 1HB SER 64 8.447 22.498 -12.244 526 2HB SER 64 2HB SER 64 8.772 20.779 -12.050 527 HG SER 64 HG SER 64 8.510 20.849 -14.160 528 H GLN 65 H GLN 65 5.077 20.233 -13.157 529 HA GLN 65 HA GLN 65 3.885 22.770 -14.113 530 1HB GLN 65 1HB GLN 65 3.378 19.880 -14.886 531 2HB GLN 65 2HB GLN 65 2.918 21.308 -15.814 532 1HG GLN 65 1HG GLN 65 5.129 21.794 -16.411 533 2HG GLN 65 2HG GLN 65 5.796 20.876 -15.061 534 1HE2 GLN 65 1HE2 GLN 65 4.970 20.696 -18.399 535 2HE2 GLN 65 2HE2 GLN 65 5.178 19.023 -18.590 536 H VAL 66 H VAL 66 3.046 19.974 -12.131 537 HA VAL 66 HA VAL 66 0.195 20.754 -12.024 538 HB VAL 66 HB VAL 66 -0.023 18.685 -10.793 539 1HG1 VAL 66 1HG1 VAL 66 0.345 17.455 -12.646 540 2HG1 VAL 66 2HG1 VAL 66 2.091 17.636 -12.488 541 3HG1 VAL 66 3HG1 VAL 66 1.149 18.864 -13.334 542 1HG2 VAL 66 1HG2 VAL 66 3.003 18.796 -10.579 543 2HG2 VAL 66 2HG2 VAL 66 2.012 17.427 -10.074 544 3HG2 VAL 66 3HG2 VAL 66 1.855 18.981 -9.253 545 H LYS 67 H LYS 67 -0.754 20.809 -9.692 546 HA LYS 67 HA LYS 67 1.042 22.486 -7.968 547 1HB LYS 67 1HB LYS 67 -1.902 22.617 -7.631 548 2HB LYS 67 2HB LYS 67 -0.726 23.927 -7.709 549 1HG LYS 67 1HG LYS 67 -0.532 23.368 -10.217 550 2HG LYS 67 2HG LYS 67 -2.007 22.427 -9.993 551 1HD LYS 67 1HD LYS 67 -3.205 24.322 -10.199 552 2HD LYS 67 2HD LYS 67 -2.443 24.928 -8.728 553 1HE LYS 67 1HE LYS 67 -1.533 26.546 -10.046 554 2HE LYS 67 2HE LYS 67 -0.477 25.272 -10.687 555 1HZ LYS 67 1HZ LYS 67 -1.942 24.818 -12.423 556 2HZ LYS 67 2HZ LYS 67 -1.945 26.516 -12.345 557 3HZ LYS 67 3HZ LYS 67 -3.236 25.630 -11.686 558 H ILE 68 H ILE 68 1.811 20.686 -6.723 559 HA ILE 68 HA ILE 68 -0.145 18.898 -5.430 560 HB ILE 68 HB ILE 68 2.856 19.123 -5.063 561 1HG1 ILE 68 1HG1 ILE 68 2.353 18.949 -7.456 562 2HG1 ILE 68 2HG1 ILE 68 2.994 17.413 -6.872 563 1HG2 ILE 68 1HG2 ILE 68 1.331 16.559 -5.019 564 2HG2 ILE 68 2HG2 ILE 68 1.153 17.634 -3.632 565 3HG2 ILE 68 3HG2 ILE 68 2.749 17.037 -4.087 566 1HD1 ILE 68 1HD1 ILE 68 1.141 16.397 -7.640 567 2HD1 ILE 68 2HD1 ILE 68 0.432 17.951 -8.081 568 3HD1 ILE 68 3HD1 ILE 68 0.199 17.304 -6.457 569 HA PRO 69 HA PRO 69 -0.441 21.991 -2.155 570 1HB PRO 69 1HB PRO 69 -2.086 20.488 -0.563 571 2HB PRO 69 2HB PRO 69 -2.678 21.448 -1.933 572 1HG PRO 69 1HG PRO 69 -2.128 18.528 -1.767 573 2HG PRO 69 2HG PRO 69 -3.454 19.383 -2.572 574 1HD PRO 69 1HD PRO 69 -1.307 18.395 -3.906 575 2HD PRO 69 2HD PRO 69 -2.211 19.826 -4.443 576 H LYS 70 H LYS 70 -0.458 21.281 0.473 577 HA LYS 70 HA LYS 70 2.122 19.816 0.773 578 1HB LYS 70 1HB LYS 70 1.258 22.233 1.668 579 2HB LYS 70 2HB LYS 70 0.821 21.220 3.044 580 1HG LYS 70 1HG LYS 70 3.108 20.386 3.209 581 2HG LYS 70 2HG LYS 70 3.569 21.285 1.763 582 1HD LYS 70 1HD LYS 70 2.554 23.316 3.199 583 2HD LYS 70 2HD LYS 70 3.062 22.273 4.528 584 1HE LYS 70 1HE LYS 70 5.197 22.955 4.220 585 2HE LYS 70 2HE LYS 70 5.160 22.295 2.572 586 1HZ LYS 70 1HZ LYS 70 5.431 24.861 2.978 587 2HZ LYS 70 2HZ LYS 70 3.738 24.803 3.108 588 3HZ LYS 70 3HZ LYS 70 4.503 24.278 1.685 589 H THR 71 H THR 71 -1.199 19.265 1.097 590 HA THR 71 HA THR 71 -1.058 17.536 3.473 591 HB THR 71 HB THR 71 -3.457 17.149 2.825 592 HG1 THR 71 HG1 THR 71 -3.907 17.499 0.823 593 1HG2 THR 71 1HG2 THR 71 -3.558 19.985 2.591 594 2HG2 THR 71 2HG2 THR 71 -2.188 19.585 3.626 595 3HG2 THR 71 3HG2 THR 71 -3.803 19.006 4.037 596 H ILE 72 H ILE 72 -0.787 17.205 0.005 597 HA ILE 72 HA ILE 72 -1.145 14.262 0.123 598 HB ILE 72 HB ILE 72 -0.804 16.356 -2.025 599 1HG1 ILE 72 1HG1 ILE 72 -2.959 14.387 -2.232 600 2HG1 ILE 72 2HG1 ILE 72 -3.007 15.272 -0.706 601 1HG2 ILE 72 1HG2 ILE 72 -0.048 13.554 -2.148 602 2HG2 ILE 72 2HG2 ILE 72 0.145 14.812 -3.369 603 3HG2 ILE 72 3HG2 ILE 72 -1.363 13.902 -3.271 604 1HD1 ILE 72 1HD1 ILE 72 -2.427 17.026 -2.966 605 2HD1 ILE 72 2HD1 ILE 72 -3.672 17.174 -1.725 606 3HD1 ILE 72 3HD1 ILE 72 -3.967 16.187 -3.158 607 H THR 73 H THR 73 0.585 12.833 0.068 608 HA THR 73 HA THR 73 3.320 13.988 0.138 609 HB THR 73 HB THR 73 2.283 11.175 0.609 610 HG1 THR 73 HG1 THR 73 2.988 13.077 2.565 611 1HG2 THR 73 1HG2 THR 73 4.869 12.532 1.420 612 2HG2 THR 73 2HG2 THR 73 4.705 11.324 0.146 613 3HG2 THR 73 3HG2 THR 73 4.400 10.881 1.826 614 H VAL 74 H VAL 74 4.471 14.018 -1.741 615 HA VAL 74 HA VAL 74 3.764 12.080 -3.914 616 HB VAL 74 HB VAL 74 5.378 14.655 -3.903 617 1HG1 VAL 74 1HG1 VAL 74 4.478 13.905 -6.496 618 2HG1 VAL 74 2HG1 VAL 74 5.250 12.487 -5.785 619 3HG1 VAL 74 3HG1 VAL 74 6.141 14.004 -5.918 620 1HG2 VAL 74 1HG2 VAL 74 3.429 15.554 -5.141 621 2HG2 VAL 74 2HG2 VAL 74 2.962 14.996 -3.534 622 3HG2 VAL 74 3HG2 VAL 74 2.602 14.007 -4.950 623 H SER 75 H SER 75 5.020 10.192 -3.241 624 HA SER 75 HA SER 75 7.902 10.683 -2.676 625 1HB SER 75 1HB SER 75 6.004 8.354 -2.289 626 2HB SER 75 2HB SER 75 7.726 8.262 -1.933 627 HG SER 75 HG SER 75 7.306 10.201 -0.598 628 H THR 76 H THR 76 9.363 8.879 -3.602 629 HA THR 76 HA THR 76 8.631 8.405 -6.472 630 HB THR 76 HB THR 76 11.073 8.465 -6.824 631 HG1 THR 76 HG1 THR 76 12.437 8.585 -5.151 632 1HG2 THR 76 1HG2 THR 76 9.981 10.607 -6.923 633 2HG2 THR 76 2HG2 THR 76 11.479 10.828 -6.017 634 3HG2 THR 76 3HG2 THR 76 9.939 10.728 -5.164 635 H GLY 77 H GLY 77 10.005 6.372 -7.305 636 1HA GLY 77 1HA GLY 77 10.704 4.292 -5.488 637 2HA GLY 77 2HA GLY 77 9.027 4.057 -5.977 638 H PHE 78 H PHE 78 10.497 2.043 -6.767 639 HA PHE 78 HA PHE 78 10.808 2.452 -9.698 640 1HB PHE 78 1HB PHE 78 12.911 1.492 -7.743 641 2HB PHE 78 2HB PHE 78 13.028 1.188 -9.476 642 HD1 PHE 78 HD1 PHE 78 14.366 3.208 -7.128 643 HD2 PHE 78 HD2 PHE 78 12.118 3.562 -10.771 644 HE1 PHE 78 HE1 PHE 78 15.274 5.492 -7.466 645 HE2 PHE 78 HE2 PHE 78 13.025 5.846 -11.111 646 HZ PHE 78 HZ PHE 78 14.602 6.811 -9.458 647 H MET 79 H MET 79 10.084 0.642 -10.820 648 HA MET 79 HA MET 79 9.515 -1.824 -9.202 649 1HB MET 79 1HB MET 79 7.941 -0.120 -11.007 650 2HB MET 79 2HB MET 79 7.821 -1.836 -11.394 651 1HG MET 79 1HG MET 79 7.496 -2.103 -8.795 652 2HG MET 79 2HG MET 79 7.028 -0.405 -8.877 653 1HE MET 79 1HE MET 79 5.423 -4.103 -10.730 654 2HE MET 79 2HE MET 79 6.673 -3.814 -9.524 655 3HE MET 79 3HE MET 79 4.976 -3.918 -9.037 656 H SER 80 H SER 80 9.308 -3.803 -10.735 657 HA SER 80 HA SER 80 11.456 -3.673 -12.828 658 1HB SER 80 1HB SER 80 11.552 -5.007 -10.475 659 2HB SER 80 2HB SER 80 10.753 -6.227 -11.462 660 HG SER 80 HG SER 80 13.155 -6.170 -11.430 661 H ILE 81 H ILE 81 10.154 -3.512 -14.671 662 HA ILE 81 HA ILE 81 8.476 -5.879 -15.303 663 HB ILE 81 HB ILE 81 7.143 -4.047 -14.119 664 1HG1 ILE 81 1HG1 ILE 81 6.177 -4.435 -16.945 665 2HG1 ILE 81 2HG1 ILE 81 6.295 -5.809 -15.846 666 1HG2 ILE 81 1HG2 ILE 81 7.078 -2.546 -16.685 667 2HG2 ILE 81 2HG2 ILE 81 8.522 -2.341 -15.693 668 3HG2 ILE 81 3HG2 ILE 81 6.934 -1.953 -15.031 669 1HD1 ILE 81 1HD1 ILE 81 4.769 -3.255 -15.259 670 2HD1 ILE 81 2HD1 ILE 81 4.836 -4.689 -14.233 671 3HD1 ILE 81 3HD1 ILE 81 4.035 -4.763 -15.803 672 1H MET 1 1H MET 1 13.411 -1.690 2.921 673 2H MET 1 2H MET 1 14.238 -0.209 2.812 674 3H MET 1 3H MET 1 14.320 -1.329 1.536 675 HA MET 1 HA MET 1 12.285 0.638 2.128 676 1HB MET 1 1HB MET 1 13.051 -1.026 -0.293 677 2HB MET 1 2HB MET 1 12.101 0.461 -0.310 678 1HG MET 1 1HG MET 1 13.949 1.757 -0.183 679 2HG MET 1 2HG MET 1 14.641 0.774 1.105 680 1HE MET 1 1HE MET 1 14.452 1.117 -2.990 681 2HE MET 1 2HE MET 1 14.498 -0.629 -3.218 682 3HE MET 1 3HE MET 1 13.232 0.103 -2.223 683 H THR 2 H THR 2 10.323 -0.266 0.335 684 HA THR 2 HA THR 2 9.092 -2.486 1.917 685 HB THR 2 HB THR 2 7.068 -1.415 0.491 686 HG1 THR 2 HG1 THR 2 8.453 0.024 -0.594 687 1HG2 THR 2 1HG2 THR 2 7.894 0.347 2.707 688 2HG2 THR 2 2HG2 THR 2 7.882 -1.372 3.101 689 3HG2 THR 2 3HG2 THR 2 6.415 -0.593 2.506 690 HA PRO 3 HA PRO 3 9.970 -4.720 -1.893 691 1HB PRO 3 1HB PRO 3 9.298 -7.183 -0.929 692 2HB PRO 3 2HB PRO 3 10.875 -6.430 -0.624 693 1HG PRO 3 1HG PRO 3 8.581 -6.786 1.182 694 2HG PRO 3 2HG PRO 3 10.302 -6.640 1.553 695 1HD PRO 3 1HD PRO 3 8.343 -4.630 1.799 696 2HD PRO 3 2HD PRO 3 10.100 -4.430 1.939 697 H ILE 4 H ILE 4 8.494 -5.361 -3.512 698 HA ILE 4 HA ILE 4 5.671 -5.880 -2.708 699 HB ILE 4 HB ILE 4 4.894 -4.142 -4.242 700 1HG1 ILE 4 1HG1 ILE 4 7.591 -3.012 -4.695 701 2HG1 ILE 4 2HG1 ILE 4 7.267 -4.524 -5.547 702 1HG2 ILE 4 1HG2 ILE 4 7.118 -2.996 -2.533 703 2HG2 ILE 4 2HG2 ILE 4 5.581 -3.560 -1.876 704 3HG2 ILE 4 3HG2 ILE 4 5.614 -2.205 -3.004 705 1HD1 ILE 4 1HD1 ILE 4 5.958 -3.456 -7.032 706 2HD1 ILE 4 2HD1 ILE 4 6.398 -1.928 -6.269 707 3HD1 ILE 4 3HD1 ILE 4 4.963 -2.801 -5.731 708 H VAL 5 H VAL 5 4.388 -6.701 -4.580 709 HA VAL 5 HA VAL 5 5.996 -7.799 -6.840 710 HB VAL 5 HB VAL 5 4.882 -10.032 -6.358 711 1HG1 VAL 5 1HG1 VAL 5 6.938 -8.719 -4.652 712 2HG1 VAL 5 2HG1 VAL 5 7.067 -10.155 -5.663 713 3HG1 VAL 5 3HG1 VAL 5 6.295 -10.257 -4.081 714 1HG2 VAL 5 1HG2 VAL 5 3.066 -9.651 -4.972 715 2HG2 VAL 5 2HG2 VAL 5 3.896 -8.396 -4.054 716 3HG2 VAL 5 3HG2 VAL 5 4.273 -10.094 -3.766 717 H HIS 6 H HIS 6 4.694 -8.130 -8.724 718 HA HIS 6 HA HIS 6 1.940 -6.983 -8.533 719 1HB HIS 6 1HB HIS 6 4.201 -6.845 -10.379 720 2HB HIS 6 2HB HIS 6 2.687 -7.206 -11.210 721 HD1 HIS 6 HD1 HIS 6 2.404 -4.843 -12.212 722 HD2 HIS 6 HD2 HIS 6 2.708 -4.849 -8.054 723 HE1 HIS 6 HE1 HIS 6 1.764 -2.517 -11.444 724 H LEU 7 H LEU 7 0.230 -8.338 -8.828 725 HA LEU 7 HA LEU 7 0.745 -11.021 -10.070 726 1HB LEU 7 1HB LEU 7 -0.430 -10.125 -7.585 727 2HB LEU 7 2HB LEU 7 -1.624 -11.027 -8.519 728 HG LEU 7 HG LEU 7 0.437 -12.673 -8.890 729 1HD1 LEU 7 1HD1 LEU 7 1.088 -12.032 -6.082 730 2HD1 LEU 7 2HD1 LEU 7 1.634 -10.832 -7.253 731 3HD1 LEU 7 3HD1 LEU 7 2.152 -12.511 -7.404 732 1HD2 LEU 7 1HD2 LEU 7 -0.323 -13.861 -6.760 733 2HD2 LEU 7 2HD2 LEU 7 -1.605 -13.435 -7.896 734 3HD2 LEU 7 3HD2 LEU 7 -1.345 -12.456 -6.451 735 H LYS 8 H LYS 8 -0.521 -11.542 -11.835 736 HA LYS 8 HA LYS 8 -2.946 -9.876 -12.406 737 1HB LYS 8 1HB LYS 8 -0.744 -9.124 -13.509 738 2HB LYS 8 2HB LYS 8 -0.834 -10.614 -14.447 739 1HG LYS 8 1HG LYS 8 -3.350 -9.671 -14.820 740 2HG LYS 8 2HG LYS 8 -2.474 -8.152 -14.647 741 1HD LYS 8 1HD LYS 8 -1.761 -10.390 -16.567 742 2HD LYS 8 2HD LYS 8 -2.534 -8.867 -17.009 743 1HE LYS 8 1HE LYS 8 -0.588 -7.596 -16.437 744 2HE LYS 8 2HE LYS 8 0.153 -8.978 -15.604 745 1HZ LYS 8 1HZ LYS 8 0.657 -10.011 -17.546 746 2HZ LYS 8 2HZ LYS 8 0.697 -8.414 -18.123 747 3HZ LYS 8 3HZ LYS 8 -0.681 -9.376 -18.374 748 H GLY 9 H GLY 9 -4.331 -10.948 -14.106 749 1HA GLY 9 1HA GLY 9 -4.146 -13.339 -15.360 750 2HA GLY 9 2HA GLY 9 -4.354 -13.865 -13.689 751 H ASP 10 H ASP 10 -6.354 -14.775 -14.997 752 HA ASP 10 HA ASP 10 -8.512 -13.024 -15.703 753 1HB ASP 10 1HB ASP 10 -8.068 -15.912 -15.088 754 2HB ASP 10 2HB ASP 10 -9.735 -15.336 -15.071 755 H ALA 11 H ALA 11 -10.075 -12.066 -14.426 756 HA ALA 11 HA ALA 11 -9.755 -11.561 -11.695 757 1HB ALA 11 1HB ALA 11 -11.340 -10.592 -13.507 758 2HB ALA 11 2HB ALA 11 -12.452 -11.867 -13.013 759 3HB ALA 11 3HB ALA 11 -11.935 -10.650 -11.848 760 H ASN 12 H ASN 12 -10.977 -14.454 -13.214 761 HA ASN 12 HA ASN 12 -12.474 -15.489 -10.967 762 1HB ASN 12 1HB ASN 12 -11.229 -16.575 -13.488 763 2HB ASN 12 2HB ASN 12 -11.964 -17.672 -12.319 764 1HD2 ASN 12 1HD2 ASN 12 -12.640 -15.277 -14.781 765 2HD2 ASN 12 2HD2 ASN 12 -14.333 -15.372 -14.686 766 H THR 13 H THR 13 -9.273 -16.465 -12.263 767 HA THR 13 HA THR 13 -8.505 -18.120 -10.092 768 HB THR 13 HB THR 13 -6.242 -16.767 -11.213 769 HG1 THR 13 HG1 THR 13 -7.297 -15.975 -12.891 770 1HG2 THR 13 1HG2 THR 13 -7.516 -19.429 -11.223 771 2HG2 THR 13 2HG2 THR 13 -5.822 -18.991 -11.003 772 3HG2 THR 13 3HG2 THR 13 -6.504 -19.089 -12.626 773 H LEU 14 H LEU 14 -8.607 -14.642 -10.358 774 HA LEU 14 HA LEU 14 -6.671 -13.970 -8.342 775 1HB LEU 14 1HB LEU 14 -9.036 -12.680 -9.670 776 2HB LEU 14 2HB LEU 14 -8.280 -11.874 -8.296 777 HG LEU 14 HG LEU 14 -6.760 -12.830 -10.736 778 1HD1 LEU 14 1HD1 LEU 14 -8.488 -10.581 -10.444 779 2HD1 LEU 14 2HD1 LEU 14 -7.421 -10.961 -11.797 780 3HD1 LEU 14 3HD1 LEU 14 -6.830 -9.980 -10.456 781 1HD2 LEU 14 1HD2 LEU 14 -4.966 -12.415 -9.433 782 2HD2 LEU 14 2HD2 LEU 14 -6.009 -11.876 -8.117 783 3HD2 LEU 14 3HD2 LEU 14 -5.469 -10.728 -9.341 784 H LYS 15 H LYS 15 -10.220 -14.433 -8.174 785 HA LYS 15 HA LYS 15 -10.553 -13.820 -5.418 786 1HB LYS 15 1HB LYS 15 -12.215 -14.284 -7.384 787 2HB LYS 15 2HB LYS 15 -12.094 -15.965 -6.864 788 1HG LYS 15 1HG LYS 15 -12.691 -15.219 -4.537 789 2HG LYS 15 2HG LYS 15 -12.983 -13.604 -5.186 790 1HD LYS 15 1HD LYS 15 -14.328 -15.696 -6.730 791 2HD LYS 15 2HD LYS 15 -14.856 -15.645 -5.046 792 1HE LYS 15 1HE LYS 15 -15.151 -13.129 -5.327 793 2HE LYS 15 2HE LYS 15 -14.914 -13.384 -7.068 794 1HZ LYS 15 1HZ LYS 15 -17.010 -14.538 -5.321 795 2HZ LYS 15 2HZ LYS 15 -16.632 -15.207 -6.836 796 3HZ LYS 15 3HZ LYS 15 -17.213 -13.614 -6.729 797 H CYS 16 H CYS 16 -9.460 -16.766 -7.027 798 HA CYS 16 HA CYS 16 -9.701 -18.523 -4.748 799 1HB CYS 16 1HB CYS 16 -9.352 -18.873 -7.356 800 2HB CYS 16 2HB CYS 16 -7.648 -18.872 -6.904 801 HG CYS 16 HG CYS 16 -8.740 -20.744 -5.011 802 H LEU 17 H LEU 17 -6.992 -16.583 -6.052 803 HA LEU 17 HA LEU 17 -4.955 -17.510 -4.304 804 1HB LEU 17 1HB LEU 17 -5.448 -14.772 -5.521 805 2HB LEU 17 2HB LEU 17 -3.899 -15.337 -4.895 806 HG LEU 17 HG LEU 17 -5.456 -16.594 -7.175 807 1HD1 LEU 17 1HD1 LEU 17 -4.034 -15.521 -8.631 808 2HD1 LEU 17 2HD1 LEU 17 -2.705 -15.486 -7.472 809 3HD1 LEU 17 3HD1 LEU 17 -4.026 -14.326 -7.334 810 1HD2 LEU 17 1HD2 LEU 17 -3.259 -17.895 -7.404 811 2HD2 LEU 17 2HD2 LEU 17 -4.289 -18.345 -6.045 812 3HD2 LEU 17 3HD2 LEU 17 -2.874 -17.327 -5.779 813 H ARG 18 H ARG 18 -7.061 -14.632 -3.939 814 HA ARG 18 HA ARG 18 -6.192 -13.706 -1.444 815 1HB ARG 18 1HB ARG 18 -8.014 -12.871 -3.097 816 2HB ARG 18 2HB ARG 18 -9.112 -13.902 -2.176 817 1HG ARG 18 1HG ARG 18 -8.597 -12.725 -0.122 818 2HG ARG 18 2HG ARG 18 -7.333 -11.792 -0.924 819 1HD ARG 18 1HD ARG 18 -8.919 -10.562 -2.221 820 2HD ARG 18 2HD ARG 18 -10.229 -11.688 -1.816 821 HE ARG 18 HE ARG 18 -9.411 -9.492 -0.170 822 1HH1 ARG 18 1HH2 ARG 18 -11.104 -12.419 -0.268 823 2HH1 ARG 18 2HH2 ARG 18 -11.287 -12.560 1.449 824 1HH2 ARG 18 1HH1 ARG 18 -9.257 -9.839 2.157 825 2HH2 ARG 18 2HH1 ARG 18 -10.243 -11.098 2.821 826 H TYR 19 H TYR 19 -7.983 -16.638 -2.150 827 HA TYR 19 HA TYR 19 -9.119 -17.098 0.442 828 1HB TYR 19 1HB TYR 19 -9.769 -18.288 -1.608 829 2HB TYR 19 2HB TYR 19 -8.159 -19.002 -1.720 830 HD1 TYR 19 HD1 TYR 19 -11.456 -19.400 -0.402 831 HD2 TYR 19 HD2 TYR 19 -7.338 -20.375 0.335 832 HE1 TYR 19 HE1 TYR 19 -12.161 -21.248 1.095 833 HE2 TYR 19 HE2 TYR 19 -8.043 -22.223 1.832 834 HH TYR 19 HH TYR 19 -11.363 -22.626 2.816 835 H ARG 20 H ARG 20 -5.960 -17.988 -0.961 836 HA ARG 20 HA ARG 20 -5.089 -19.437 1.412 837 1HB ARG 20 1HB ARG 20 -3.910 -18.455 -1.174 838 2HB ARG 20 2HB ARG 20 -2.838 -19.064 0.088 839 1HG ARG 20 1HG ARG 20 -4.051 -21.186 0.146 840 2HG ARG 20 2HG ARG 20 -5.211 -20.581 -1.037 841 1HD ARG 20 1HD ARG 20 -2.236 -20.740 -1.613 842 2HD ARG 20 2HD ARG 20 -3.369 -22.046 -2.013 843 HE ARG 20 HE ARG 20 -3.345 -19.351 -3.240 844 1HH1 ARG 20 1HH1 ARG 20 -3.383 -21.967 -4.763 845 2HH1 ARG 20 2HH1 ARG 20 -5.032 -22.040 -5.284 846 1HH2 ARG 20 1HH2 ARG 20 -6.125 -19.622 -3.054 847 2HH2 ARG 20 2HH2 ARG 20 -6.585 -20.713 -4.318 848 H PHE 21 H PHE 21 -5.283 -16.117 0.541 849 HA PHE 21 HA PHE 21 -3.022 -15.068 1.979 850 1HB PHE 21 1HB PHE 21 -5.684 -14.049 1.005 851 2HB PHE 21 2HB PHE 21 -4.652 -13.011 1.985 852 HD1 PHE 21 HD1 PHE 21 -3.316 -15.583 -0.310 853 HD2 PHE 21 HD2 PHE 21 -4.172 -11.406 0.229 854 HE1 PHE 21 HE1 PHE 21 -1.949 -15.045 -2.307 855 HE2 PHE 21 HE2 PHE 21 -2.802 -10.870 -1.769 856 HZ PHE 21 HZ PHE 21 -1.691 -12.690 -3.036 857 H LYS 22 H LYS 22 -6.280 -16.029 2.939 858 HA LYS 22 HA LYS 22 -6.371 -14.770 5.507 859 1HB LYS 22 1HB LYS 22 -7.660 -17.120 4.145 860 2HB LYS 22 2HB LYS 22 -7.960 -16.850 5.862 861 1HG LYS 22 1HG LYS 22 -8.365 -14.758 3.704 862 2HG LYS 22 2HG LYS 22 -9.657 -15.740 4.399 863 1HD LYS 22 1HD LYS 22 -8.421 -14.773 6.652 864 2HD LYS 22 2HD LYS 22 -8.246 -13.417 5.539 865 1HE LYS 22 1HE LYS 22 -10.508 -13.005 5.482 866 2HE LYS 22 2HE LYS 22 -10.925 -14.725 5.610 867 1HZ LYS 22 1HZ LYS 22 -10.113 -12.856 7.742 868 2HZ LYS 22 2HZ LYS 22 -9.841 -14.524 7.922 869 3HZ LYS 22 3HZ LYS 22 -11.421 -13.935 7.714 870 H LYS 23 H LYS 23 -4.956 -17.829 4.403 871 HA LYS 23 HA LYS 23 -4.376 -18.829 7.075 872 1HB LYS 23 1HB LYS 23 -3.403 -19.476 4.275 873 2HB LYS 23 2HB LYS 23 -2.944 -20.413 5.697 874 1HG LYS 23 1HG LYS 23 -5.783 -19.942 4.736 875 2HG LYS 23 2HG LYS 23 -4.875 -21.446 4.567 876 1HD LYS 23 1HD LYS 23 -4.581 -21.252 7.164 877 2HD LYS 23 2HD LYS 23 -5.974 -20.175 7.060 878 1HE LYS 23 1HE LYS 23 -7.115 -22.052 5.703 879 2HE LYS 23 2HE LYS 23 -5.817 -23.101 6.308 880 1HZ LYS 23 1HZ LYS 23 -6.355 -22.526 8.543 881 2HZ LYS 23 2HZ LYS 23 -7.800 -23.001 7.786 882 3HZ LYS 23 3HZ LYS 23 -7.475 -21.354 8.044 883 H HIS 24 H HIS 24 -2.396 -17.344 4.485 884 HA HIS 24 HA HIS 24 -0.149 -16.987 6.398 885 1HB HIS 24 1HB HIS 24 -0.311 -16.223 3.472 886 2HB HIS 24 2HB HIS 24 1.134 -16.587 4.418 887 HD1 HIS 24 HD1 HIS 24 1.347 -19.143 5.256 888 HD2 HIS 24 HD2 HIS 24 -1.464 -18.450 2.257 889 HE1 HIS 24 HE1 HIS 24 0.792 -21.403 4.260 890 H CYS 25 H CYS 25 -2.725 -15.421 6.553 891 HA CYS 25 HA CYS 25 -2.470 -12.785 5.556 892 1HB CYS 25 1HB CYS 25 -4.094 -12.265 7.284 893 2HB CYS 25 2HB CYS 25 -4.433 -13.894 6.701 894 HG CYS 25 HG CYS 25 -4.360 -14.205 9.235 895 H THR 26 H THR 26 -0.745 -14.412 8.095 896 HA THR 26 HA THR 26 0.307 -11.860 9.204 897 HB THR 26 HB THR 26 1.082 -13.275 10.995 898 HG1 THR 26 HG1 THR 26 0.335 -15.506 9.424 899 1HG2 THR 26 1HG2 THR 26 -1.419 -14.746 10.318 900 2HG2 THR 26 2HG2 THR 26 -1.523 -12.988 10.430 901 3HG2 THR 26 3HG2 THR 26 -0.964 -13.928 11.814 902 H LEU 27 H LEU 27 1.000 -13.536 6.540 903 HA LEU 27 HA LEU 27 3.923 -13.830 6.927 904 1HB LEU 27 1HB LEU 27 1.846 -14.913 5.258 905 2HB LEU 27 2HB LEU 27 3.102 -14.219 4.231 906 HG LEU 27 HG LEU 27 4.785 -15.470 5.701 907 1HD1 LEU 27 1HD1 LEU 27 4.010 -16.616 7.474 908 2HD1 LEU 27 2HD1 LEU 27 2.985 -17.583 6.413 909 3HD1 LEU 27 3HD1 LEU 27 2.374 -16.076 7.097 910 1HD2 LEU 27 1HD2 LEU 27 4.804 -16.861 3.928 911 2HD2 LEU 27 2HD2 LEU 27 3.190 -16.301 3.492 912 3HD2 LEU 27 3HD2 LEU 27 3.382 -17.697 4.550 913 H TYR 28 H TYR 28 1.650 -11.909 4.918 914 HA TYR 28 HA TYR 28 3.918 -10.237 3.980 915 1HB TYR 28 1HB TYR 28 2.061 -9.281 2.536 916 2HB TYR 28 2HB TYR 28 2.349 -11.005 2.312 917 HD1 TYR 28 HD1 TYR 28 0.636 -12.590 2.711 918 HD2 TYR 28 HD2 TYR 28 0.192 -8.555 4.118 919 HE1 TYR 28 HE1 TYR 28 -1.725 -13.059 3.313 920 HE2 TYR 28 HE2 TYR 28 -2.168 -9.022 4.719 921 HH TYR 28 HH TYR 28 -3.968 -11.035 3.663 922 H THR 29 H THR 29 3.257 -7.757 3.901 923 HA THR 29 HA THR 29 2.440 -7.028 6.671 924 HB THR 29 HB THR 29 3.872 -5.553 4.442 925 HG1 THR 29 HG1 THR 29 5.147 -6.060 6.804 926 1HG2 THR 29 1HG2 THR 29 4.131 -3.725 5.877 927 2HG2 THR 29 2HG2 THR 29 3.764 -4.679 7.314 928 3HG2 THR 29 3HG2 THR 29 2.471 -4.224 6.205 929 H ALA 30 H ALA 30 1.581 -6.419 3.274 930 HA ALA 30 HA ALA 30 -1.065 -5.448 4.112 931 1HB ALA 30 1HB ALA 30 1.187 -3.693 3.298 932 2HB ALA 30 2HB ALA 30 -0.382 -3.313 2.587 933 3HB ALA 30 3HB ALA 30 -0.191 -3.339 4.340 934 H VAL 31 H VAL 31 -2.382 -6.459 2.621 935 HA VAL 31 HA VAL 31 -1.321 -7.085 -0.074 936 HB VAL 31 HB VAL 31 -3.618 -8.218 -0.222 937 1HG1 VAL 31 1HG1 VAL 31 -2.445 -9.376 2.195 938 2HG1 VAL 31 2HG1 VAL 31 -1.238 -8.996 0.967 939 3HG1 VAL 31 3HG1 VAL 31 -2.588 -10.063 0.578 940 1HG2 VAL 31 1HG2 VAL 31 -4.502 -6.654 1.654 941 2HG2 VAL 31 2HG2 VAL 31 -3.694 -7.765 2.759 942 3HG2 VAL 31 3HG2 VAL 31 -4.977 -8.351 1.702 943 H SER 32 H SER 32 -1.301 -5.153 -1.251 944 HA SER 32 HA SER 32 -3.010 -2.965 -1.173 945 1HB SER 32 1HB SER 32 -2.200 -2.532 -3.392 946 2HB SER 32 2HB SER 32 -0.921 -3.420 -2.568 947 HG SER 32 HG SER 32 -2.801 -4.337 -4.473 948 H SER 33 H SER 33 -5.045 -2.465 -2.021 949 HA SER 33 HA SER 33 -6.978 -4.535 -2.382 950 1HB SER 33 1HB SER 33 -8.441 -2.716 -2.736 951 2HB SER 33 2HB SER 33 -7.145 -1.999 -1.781 952 HG SER 33 HG SER 33 -6.346 -1.044 -3.566 953 H THR 34 H THR 34 -8.226 -4.905 -4.449 954 HA THR 34 HA THR 34 -6.473 -5.604 -6.626 955 HB THR 34 HB THR 34 -9.488 -5.351 -6.397 956 HG1 THR 34 HG1 THR 34 -8.783 -6.884 -5.014 957 1HG2 THR 34 1HG2 THR 34 -7.976 -5.640 -8.716 958 2HG2 THR 34 2HG2 THR 34 -9.678 -6.061 -8.530 959 3HG2 THR 34 3HG2 THR 34 -8.435 -7.291 -8.303 960 H TRP 35 H TRP 35 -5.648 -4.203 -8.111 961 HA TRP 35 HA TRP 35 -7.354 -1.999 -9.153 962 1HB TRP 35 1HB TRP 35 -5.706 -0.338 -8.617 963 2HB TRP 35 2HB TRP 35 -5.918 -1.291 -7.148 964 HD1 TRP 35 HD1 TRP 35 -4.021 -3.164 -6.628 965 HE1 TRP 35 HE1 TRP 35 -1.520 -3.217 -7.252 966 HE3 TRP 35 HE3 TRP 35 -3.967 0.336 -10.345 967 HZ2 TRP 35 HZ2 TRP 35 0.267 -1.942 -9.088 968 HZ3 TRP 35 HZ3 TRP 35 -1.856 0.898 -11.514 969 HH2 TRP 35 HH2 TRP 35 0.259 -0.235 -10.890 970 H HIS 36 H HIS 36 -5.670 -0.805 -10.905 971 HA HIS 36 HA HIS 36 -3.919 -2.747 -12.243 972 1HB HIS 36 1HB HIS 36 -6.047 -3.624 -12.919 973 2HB HIS 36 2HB HIS 36 -6.667 -2.012 -13.278 974 HD1 HIS 36 HD1 HIS 36 -6.342 -1.179 -15.624 975 HD2 HIS 36 HD2 HIS 36 -3.855 -4.412 -14.766 976 HE1 HIS 36 HE1 HIS 36 -5.191 -1.794 -17.794 977 H TRP 37 H TRP 37 -3.171 -1.803 -14.405 978 HA TRP 37 HA TRP 37 -2.413 1.000 -14.030 979 1HB TRP 37 1HB TRP 37 -1.965 -1.130 -16.127 980 2HB TRP 37 2HB TRP 37 -1.330 0.501 -16.316 981 HD1 TRP 37 HD1 TRP 37 -0.146 -2.671 -15.285 982 HE1 TRP 37 HE1 TRP 37 1.769 -2.515 -13.568 983 HE3 TRP 37 HE3 TRP 37 -0.696 2.185 -13.789 984 HZ2 TRP 37 HZ2 TRP 37 2.918 -0.587 -11.794 985 HZ3 TRP 37 HZ3 TRP 37 0.822 3.153 -12.084 986 HH2 TRP 37 HH2 TRP 37 2.626 1.774 -11.087 987 H THR 38 H THR 38 -4.391 2.212 -14.239 988 HA THR 38 HA THR 38 -5.147 2.911 -16.944 989 HB THR 38 HB THR 38 -6.225 0.735 -16.847 990 HG1 THR 38 HG1 THR 38 -7.409 2.565 -17.700 991 1HG2 THR 38 1HG2 THR 38 -7.949 0.301 -15.067 992 2HG2 THR 38 2HG2 THR 38 -7.392 1.762 -14.249 993 3HG2 THR 38 3HG2 THR 38 -6.297 0.395 -14.456 994 H GLY 39 H GLY 39 -7.034 4.485 -16.907 995 1HA GLY 39 1HA GLY 39 -6.722 6.411 -14.819 996 2HA GLY 39 2HA GLY 39 -8.023 6.417 -16.011 997 H HIS 40 H HIS 40 -10.034 6.125 -15.185 998 HA HIS 40 HA HIS 40 -10.293 4.574 -12.630 999 1HB HIS 40 1HB HIS 40 -11.765 6.263 -11.814 1000 2HB HIS 40 2HB HIS 40 -10.426 7.145 -12.547 1001 HD1 HIS 40 HD1 HIS 40 -14.032 6.219 -13.124 1002 HD2 HIS 40 HD2 HIS 40 -11.099 8.604 -14.877 1003 HE1 HIS 40 HE1 HIS 40 -15.207 7.633 -14.866 1004 H ASN 41 H ASN 41 -11.330 5.014 -15.868 1005 HA ASN 41 HA ASN 41 -13.521 3.031 -15.433 1006 1HB ASN 41 1HB ASN 41 -14.694 5.083 -15.468 1007 2HB ASN 41 2HB ASN 41 -13.631 5.769 -16.697 1008 1HD2 ASN 41 1HD2 ASN 41 -15.540 2.702 -16.515 1009 2HD2 ASN 41 2HD2 ASN 41 -16.304 2.922 -18.015 1010 H VAL 42 H VAL 42 -13.310 1.386 -16.889 1011 HA VAL 42 HA VAL 42 -12.433 1.890 -19.652 1012 HB VAL 42 HB VAL 42 -10.594 0.017 -19.142 1013 1HG1 VAL 42 1HG1 VAL 42 -8.959 1.765 -19.043 1014 2HG1 VAL 42 2HG1 VAL 42 -10.104 2.884 -18.306 1015 3HG1 VAL 42 3HG1 VAL 42 -10.304 2.400 -19.991 1016 1HG2 VAL 42 1HG2 VAL 42 -11.427 0.011 -16.691 1017 2HG2 VAL 42 2HG2 VAL 42 -10.587 1.554 -16.542 1018 3HG2 VAL 42 3HG2 VAL 42 -9.685 0.097 -16.955 1019 H LYS 43 H LYS 43 -12.627 -0.110 -20.968 1020 HA LYS 43 HA LYS 43 -14.702 -1.930 -19.844 1021 1HB LYS 43 1HB LYS 43 -13.742 -1.117 -22.587 1022 2HB LYS 43 2HB LYS 43 -14.791 -2.520 -22.376 1023 1HG LYS 43 1HG LYS 43 -16.525 -1.185 -21.399 1024 2HG LYS 43 2HG LYS 43 -15.457 0.210 -21.253 1025 1HD LYS 43 1HD LYS 43 -15.233 0.122 -23.802 1026 2HD LYS 43 2HD LYS 43 -16.593 -1.001 -23.778 1027 1HE LYS 43 1HE LYS 43 -17.117 1.350 -22.123 1028 2HE LYS 43 2HE LYS 43 -16.801 1.780 -23.815 1029 1HZ LYS 43 1HZ LYS 43 -18.393 -0.602 -23.461 1030 2HZ LYS 43 2HZ LYS 43 -18.623 0.707 -24.519 1031 3HZ LYS 43 3HZ LYS 43 -19.148 0.811 -22.906 1032 H HIS 44 H HIS 44 -11.407 -1.916 -21.077 1033 HA HIS 44 HA HIS 44 -11.041 -4.664 -21.658 1034 1HB HIS 44 1HB HIS 44 -9.158 -2.635 -20.411 1035 2HB HIS 44 2HB HIS 44 -8.660 -4.123 -21.218 1036 HD1 HIS 44 HD1 HIS 44 -8.715 -4.168 -23.780 1037 HD2 HIS 44 HD2 HIS 44 -10.236 -0.631 -22.182 1038 HE1 HIS 44 HE1 HIS 44 -8.988 -2.565 -25.720 1039 H LYS 45 H LYS 45 -9.736 -6.207 -20.243 1040 HA LYS 45 HA LYS 45 -10.531 -5.964 -17.356 1041 1HB LYS 45 1HB LYS 45 -10.428 -8.429 -19.128 1042 2HB LYS 45 2HB LYS 45 -10.960 -8.385 -17.447 1043 1HG LYS 45 1HG LYS 45 -12.728 -6.709 -18.161 1044 2HG LYS 45 2HG LYS 45 -12.284 -7.070 -19.831 1045 1HD LYS 45 1HD LYS 45 -12.710 -9.508 -19.325 1046 2HD LYS 45 2HD LYS 45 -13.366 -9.005 -17.768 1047 1HE LYS 45 1HE LYS 45 -15.044 -7.595 -18.935 1048 2HE LYS 45 2HE LYS 45 -14.405 -8.156 -20.495 1049 1HZ LYS 45 1HZ LYS 45 -16.125 -9.646 -19.992 1050 2HZ LYS 45 2HZ LYS 45 -15.683 -9.754 -18.355 1051 3HZ LYS 45 3HZ LYS 45 -14.713 -10.474 -19.550 1052 H SER 46 H SER 46 -8.719 -5.949 -16.068 1053 HA SER 46 HA SER 46 -6.520 -7.823 -16.535 1054 1HB SER 46 1HB SER 46 -4.897 -5.811 -16.745 1055 2HB SER 46 2HB SER 46 -5.848 -6.242 -18.164 1056 HG SER 46 HG SER 46 -6.985 -4.462 -17.947 1057 H ALA 47 H ALA 47 -8.359 -7.078 -14.341 1058 HA ALA 47 HA ALA 47 -7.372 -5.449 -12.322 1059 1HB ALA 47 1HB ALA 47 -9.168 -7.626 -12.644 1060 2HB ALA 47 2HB ALA 47 -8.180 -7.990 -11.229 1061 3HB ALA 47 3HB ALA 47 -9.098 -6.486 -11.300 1062 H ILE 48 H ILE 48 -5.715 -5.605 -10.788 1063 HA ILE 48 HA ILE 48 -3.993 -8.046 -10.813 1064 HB ILE 48 HB ILE 48 -3.246 -5.170 -11.386 1065 1HG1 ILE 48 1HG1 ILE 48 -2.448 -7.701 -12.830 1066 2HG1 ILE 48 2HG1 ILE 48 -3.953 -6.856 -13.196 1067 1HG2 ILE 48 1HG2 ILE 48 -1.243 -5.467 -10.408 1068 2HG2 ILE 48 2HG2 ILE 48 -0.960 -6.882 -11.421 1069 3HG2 ILE 48 3HG2 ILE 48 -1.746 -7.063 -9.854 1070 1HD1 ILE 48 1HD1 ILE 48 -2.331 -6.001 -14.733 1071 2HD1 ILE 48 2HD1 ILE 48 -1.125 -5.810 -13.461 1072 3HD1 ILE 48 3HD1 ILE 48 -2.537 -4.753 -13.505 1073 H VAL 49 H VAL 49 -2.843 -8.343 -8.824 1074 HA VAL 49 HA VAL 49 -3.689 -6.503 -6.608 1075 HB VAL 49 HB VAL 49 -3.142 -9.488 -6.570 1076 1HG1 VAL 49 1HG1 VAL 49 -4.480 -9.175 -4.358 1077 2HG1 VAL 49 2HG1 VAL 49 -4.032 -7.476 -4.511 1078 3HG1 VAL 49 3HG1 VAL 49 -2.779 -8.711 -4.379 1079 1HG2 VAL 49 1HG2 VAL 49 -5.233 -8.456 -7.829 1080 2HG2 VAL 49 2HG2 VAL 49 -5.850 -8.258 -6.189 1081 3HG2 VAL 49 3HG2 VAL 49 -5.427 -9.863 -6.784 1082 H THR 50 H THR 50 -1.958 -5.438 -5.748 1083 HA THR 50 HA THR 50 0.787 -6.509 -6.131 1084 HB THR 50 HB THR 50 -0.232 -3.911 -4.928 1085 HG1 THR 50 HG1 THR 50 -0.384 -4.758 -7.399 1086 1HG2 THR 50 1HG2 THR 50 2.199 -4.790 -4.544 1087 2HG2 THR 50 2HG2 THR 50 1.964 -3.120 -5.060 1088 3HG2 THR 50 3HG2 THR 50 2.438 -4.347 -6.234 1089 H LEU 51 H LEU 51 2.149 -6.986 -4.285 1090 HA LEU 51 HA LEU 51 0.744 -6.997 -1.641 1091 1HB LEU 51 1HB LEU 51 1.869 -9.193 -3.291 1092 2HB LEU 51 2HB LEU 51 2.201 -9.280 -1.561 1093 HG LEU 51 HG LEU 51 -0.458 -8.591 -1.585 1094 1HD1 LEU 51 1HD1 LEU 51 0.197 -10.219 -4.032 1095 2HD1 LEU 51 2HD1 LEU 51 -0.913 -8.857 -3.872 1096 3HD1 LEU 51 3HD1 LEU 51 -1.350 -10.433 -3.212 1097 1HD2 LEU 51 1HD2 LEU 51 -0.059 -10.307 -0.136 1098 2HD2 LEU 51 2HD2 LEU 51 1.148 -11.042 -1.191 1099 3HD2 LEU 51 3HD2 LEU 51 -0.569 -11.323 -1.485 1100 H THR 52 H THR 52 1.968 -5.947 -0.170 1101 HA THR 52 HA THR 52 4.888 -5.591 -0.646 1102 HB THR 52 HB THR 52 3.047 -4.335 1.416 1103 HG1 THR 52 HG1 THR 52 3.549 -3.773 -1.281 1104 1HG2 THR 52 1HG2 THR 52 4.761 -2.808 1.812 1105 2HG2 THR 52 2HG2 THR 52 5.514 -3.091 0.242 1106 3HG2 THR 52 3HG2 THR 52 5.675 -4.289 1.527 1107 H TYR 53 H TYR 53 6.412 -6.377 0.876 1108 HA TYR 53 HA TYR 53 5.277 -8.094 3.060 1109 1HB TYR 53 1HB TYR 53 7.707 -8.418 1.276 1110 2HB TYR 53 2HB TYR 53 7.333 -9.484 2.632 1111 HD1 TYR 53 HD1 TYR 53 5.952 -8.149 -0.576 1112 HD2 TYR 53 HD2 TYR 53 5.769 -11.246 2.400 1113 HE1 TYR 53 HE1 TYR 53 4.384 -9.433 -2.005 1114 HE2 TYR 53 HE2 TYR 53 4.203 -12.530 0.968 1115 HH TYR 53 HH TYR 53 3.452 -12.712 -1.227 1116 H ASP 54 H ASP 54 6.543 -8.182 5.030 1117 HA ASP 54 HA ASP 54 7.768 -5.637 5.755 1118 1HB ASP 54 1HB ASP 54 6.352 -7.537 7.040 1119 2HB ASP 54 2HB ASP 54 7.979 -8.063 7.472 1120 H SER 55 H SER 55 8.973 -8.474 4.309 1121 HA SER 55 HA SER 55 11.738 -7.534 4.594 1122 1HB SER 55 1HB SER 55 10.585 -9.833 6.131 1123 2HB SER 55 2HB SER 55 12.252 -9.949 5.575 1124 HG SER 55 HG SER 55 12.170 -8.985 7.617 1125 H GLU 56 H GLU 56 12.732 -8.040 2.681 1126 HA GLU 56 HA GLU 56 11.609 -9.355 0.506 1127 1HB GLU 56 1HB GLU 56 14.040 -8.210 1.216 1128 2HB GLU 56 2HB GLU 56 14.479 -9.872 0.820 1129 1HG GLU 56 1HG GLU 56 12.605 -8.988 -1.138 1130 2HG GLU 56 2HG GLU 56 13.839 -7.738 -0.976 1131 H TRP 57 H TRP 57 13.527 -10.810 3.140 1132 HA TRP 57 HA TRP 57 13.738 -13.455 2.186 1133 1HB TRP 57 1HB TRP 57 14.667 -12.273 4.290 1134 2HB TRP 57 2HB TRP 57 13.131 -12.693 5.048 1135 HD1 TRP 57 HD1 TRP 57 13.684 -14.650 6.584 1136 HE1 TRP 57 HE1 TRP 57 14.810 -16.949 6.291 1137 HE3 TRP 57 HE3 TRP 57 15.368 -14.206 1.778 1138 HZ2 TRP 57 HZ2 TRP 57 16.237 -18.408 4.286 1139 HZ3 TRP 57 HZ3 TRP 57 16.605 -16.065 0.704 1140 HH2 TRP 57 HH2 TRP 57 17.042 -18.163 1.952 1141 H GLN 58 H GLN 58 11.136 -12.068 4.231 1142 HA GLN 58 HA GLN 58 9.485 -14.371 4.354 1143 1HB GLN 58 1HB GLN 58 8.813 -12.716 5.804 1144 2HB GLN 58 2HB GLN 58 9.241 -11.425 4.683 1145 1HG GLN 58 1HG GLN 58 6.756 -11.667 5.099 1146 2HG GLN 58 2HG GLN 58 7.227 -11.767 3.403 1147 1HE2 GLN 58 1HE2 GLN 58 4.942 -12.947 3.521 1148 2HE2 GLN 58 2HE2 GLN 58 5.009 -14.628 3.736 1149 H ARG 59 H ARG 59 9.682 -11.817 1.877 1150 HA ARG 59 HA ARG 59 7.382 -12.509 0.352 1151 1HB ARG 59 1HB ARG 59 8.826 -10.481 0.129 1152 2HB ARG 59 2HB ARG 59 10.085 -11.491 -0.583 1153 1HG ARG 59 1HG ARG 59 8.395 -12.194 -2.331 1154 2HG ARG 59 2HG ARG 59 7.322 -10.945 -1.694 1155 1HD ARG 59 1HD ARG 59 8.687 -10.151 -3.652 1156 2HD ARG 59 2HD ARG 59 9.011 -9.219 -2.177 1157 HE ARG 59 HE ARG 59 11.068 -10.520 -1.870 1158 1HH1 ARG 59 1HH1 ARG 59 9.928 -12.850 -3.586 1159 2HH1 ARG 59 2HH1 ARG 59 10.996 -12.772 -4.948 1160 1HH2 ARG 59 1HH2 ARG 59 12.202 -9.620 -4.158 1161 2HH2 ARG 59 2HH2 ARG 59 12.284 -10.944 -5.271 1162 H ASP 60 H ASP 60 10.739 -13.712 0.082 1163 HA ASP 60 HA ASP 60 10.344 -15.405 -2.172 1164 1HB ASP 60 1HB ASP 60 12.289 -14.895 -0.055 1165 2HB ASP 60 2HB ASP 60 12.263 -16.595 -0.525 1166 H GLN 61 H GLN 61 9.839 -15.975 1.301 1167 HA GLN 61 HA GLN 61 9.359 -18.801 1.133 1168 1HB GLN 61 1HB GLN 61 8.615 -16.575 3.036 1169 2HB GLN 61 2HB GLN 61 8.124 -18.243 3.341 1170 1HG GLN 61 1HG GLN 61 10.403 -18.993 3.402 1171 2HG GLN 61 2HG GLN 61 10.992 -17.446 2.792 1172 1HE2 GLN 61 1HE2 GLN 61 10.956 -15.592 4.276 1173 2HE2 GLN 61 2HE2 GLN 61 10.810 -15.819 5.952 1174 H PHE 62 H PHE 62 7.173 -15.988 0.951 1175 HA PHE 62 HA PHE 62 4.683 -17.320 0.917 1176 1HB PHE 62 1HB PHE 62 4.919 -14.912 1.083 1177 2HB PHE 62 2HB PHE 62 5.704 -14.837 -0.495 1178 HD1 PHE 62 HD1 PHE 62 2.548 -14.961 1.284 1179 HD2 PHE 62 HD2 PHE 62 4.391 -15.458 -2.564 1180 HE1 PHE 62 HE1 PHE 62 0.331 -14.748 0.196 1181 HE2 PHE 62 HE2 PHE 62 2.172 -15.246 -3.655 1182 HZ PHE 62 HZ PHE 62 0.141 -14.891 -2.274 1183 H LEU 63 H LEU 63 6.798 -16.455 -1.841 1184 HA LEU 63 HA LEU 63 5.179 -17.534 -3.913 1185 1HB LEU 63 1HB LEU 63 8.099 -16.978 -3.474 1186 2HB LEU 63 2HB LEU 63 7.595 -17.798 -4.952 1187 HG LEU 63 HG LEU 63 6.245 -15.259 -4.042 1188 1HD1 LEU 63 1HD1 LEU 63 8.075 -14.723 -6.156 1189 2HD1 LEU 63 2HD1 LEU 63 8.975 -15.539 -4.878 1190 3HD1 LEU 63 3HD1 LEU 63 8.084 -14.058 -4.522 1191 1HD2 LEU 63 1HD2 LEU 63 6.680 -15.956 -6.894 1192 2HD2 LEU 63 2HD2 LEU 63 5.241 -15.315 -6.100 1193 3HD2 LEU 63 3HD2 LEU 63 5.611 -17.037 -5.999 1194 H SER 64 H SER 64 6.905 -19.147 -1.419 1195 HA SER 64 HA SER 64 7.054 -21.696 -2.958 1196 1HB SER 64 1HB SER 64 8.627 -22.336 -1.316 1197 2HB SER 64 2HB SER 64 8.921 -20.610 -1.513 1198 HG SER 64 HG SER 64 8.638 -20.675 0.592 1199 H GLN 65 H GLN 65 5.216 -20.133 -0.427 1200 HA GLN 65 HA GLN 65 4.065 -22.693 0.514 1201 1HB GLN 65 1HB GLN 65 3.486 -19.820 1.299 1202 2HB GLN 65 2HB GLN 65 3.072 -21.265 2.221 1203 1HG GLN 65 1HG GLN 65 5.296 -21.684 2.815 1204 2HG GLN 65 2HG GLN 65 5.936 -20.746 1.465 1205 1HE2 GLN 65 1HE2 GLN 65 5.058 -20.590 4.801 1206 2HE2 GLN 65 2HE2 GLN 65 5.243 -18.914 4.996 1207 H VAL 66 H VAL 66 3.191 -19.913 -1.476 1208 HA VAL 66 HA VAL 66 0.355 -20.743 -1.606 1209 HB VAL 66 HB VAL 66 0.112 -18.686 -2.854 1210 1HG1 VAL 66 1HG1 VAL 66 0.445 -17.421 -1.015 1211 2HG1 VAL 66 2HG1 VAL 66 2.195 -17.594 -1.141 1212 3HG1 VAL 66 3HG1 VAL 66 1.246 -18.818 -0.296 1213 1HG2 VAL 66 1HG2 VAL 66 3.141 -18.751 -3.037 1214 2HG2 VAL 66 2HG2 VAL 66 2.136 -17.397 -3.555 1215 3HG2 VAL 66 3HG2 VAL 66 2.008 -18.954 -4.374 1216 H LYS 67 H LYS 67 -0.567 -20.823 -3.952 1217 HA LYS 67 HA LYS 67 1.281 -22.473 -5.650 1218 1HB LYS 67 1HB LYS 67 -1.650 -22.676 -6.026 1219 2HB LYS 67 2HB LYS 67 -0.445 -23.956 -5.914 1220 1HG LYS 67 1HG LYS 67 -0.311 -23.379 -3.409 1221 2HG LYS 67 2HG LYS 67 -1.799 -22.466 -3.667 1222 1HD LYS 67 1HD LYS 67 -2.963 -24.382 -3.466 1223 2HD LYS 67 2HD LYS 67 -2.170 -24.978 -4.924 1224 1HE LYS 67 1HE LYS 67 -1.257 -26.579 -3.586 1225 2HE LYS 67 2HE LYS 67 -0.226 -25.288 -2.940 1226 1HZ LYS 67 1HZ LYS 67 -1.725 -24.842 -1.227 1227 2HZ LYS 67 2HZ LYS 67 -1.693 -26.539 -1.289 1228 3HZ LYS 67 3HZ LYS 67 -2.992 -25.685 -1.974 1229 H ILE 68 H ILE 68 2.024 -20.684 -6.909 1230 HA ILE 68 HA ILE 68 0.047 -18.925 -8.212 1231 HB ILE 68 HB ILE 68 3.053 -19.106 -8.567 1232 1HG1 ILE 68 1HG1 ILE 68 2.530 -18.929 -6.175 1233 2HG1 ILE 68 2HG1 ILE 68 3.159 -17.390 -6.764 1234 1HG2 ILE 68 1HG2 ILE 68 1.490 -16.564 -8.625 1235 2HG2 ILE 68 2HG2 ILE 68 1.323 -17.648 -10.005 1236 3HG2 ILE 68 3HG2 ILE 68 2.913 -17.029 -9.558 1237 1HD1 ILE 68 1HD1 ILE 68 1.289 -16.389 -6.011 1238 2HD1 ILE 68 2HD1 ILE 68 0.595 -17.948 -5.565 1239 3HD1 ILE 68 3HD1 ILE 68 0.365 -17.313 -7.195 1240 HA PRO 69 HA PRO 69 -0.189 -22.039 -11.474 1241 1HB PRO 69 1HB PRO 69 -1.842 -20.567 -13.084 1242 2HB PRO 69 2HB PRO 69 -2.434 -21.527 -11.712 1243 1HG PRO 69 1HG PRO 69 -1.922 -18.600 -11.892 1244 2HG PRO 69 2HG PRO 69 -3.239 -19.469 -11.088 1245 1HD PRO 69 1HD PRO 69 -1.108 -18.441 -9.754 1246 2HD PRO 69 2HD PRO 69 -2.001 -19.875 -9.205 1247 H LYS 70 H LYS 70 -0.203 -21.325 -14.111 1248 HA LYS 70 HA LYS 70 2.363 -19.827 -14.383 1249 1HB LYS 70 1HB LYS 70 1.548 -22.259 -15.281 1250 2HB LYS 70 2HB LYS 70 1.111 -21.255 -16.665 1251 1HG LYS 70 1HG LYS 70 3.386 -20.386 -16.804 1252 2HG LYS 70 2HG LYS 70 3.844 -21.279 -15.354 1253 1HD LYS 70 1HD LYS 70 2.878 -23.326 -16.796 1254 2HD LYS 70 2HD LYS 70 3.374 -22.275 -18.123 1255 1HE LYS 70 1HE LYS 70 5.521 -22.917 -17.804 1256 2HE LYS 70 2HE LYS 70 5.463 -22.262 -16.155 1257 1HZ LYS 70 1HZ LYS 70 5.789 -24.818 -16.559 1258 2HZ LYS 70 2HZ LYS 70 4.097 -24.798 -16.709 1259 3HZ LYS 70 3HZ LYS 70 4.831 -24.259 -15.276 1260 H THR 71 H THR 71 -0.961 -19.317 -14.747 1261 HA THR 71 HA THR 71 -0.814 -17.596 -17.130 1262 HB THR 71 HB THR 71 -3.224 -17.241 -16.523 1263 HG1 THR 71 HG1 THR 71 -3.720 -17.587 -14.532 1264 1HG2 THR 71 1HG2 THR 71 -3.261 -20.085 -16.250 1265 2HG2 THR 71 2HG2 THR 71 -1.913 -19.649 -17.302 1266 3HG2 THR 71 3HG2 THR 71 -3.548 -19.123 -17.701 1267 H ILE 72 H ILE 72 -0.579 -17.246 -13.664 1268 HA ILE 72 HA ILE 72 -0.987 -14.310 -13.790 1269 HB ILE 72 HB ILE 72 -0.625 -16.397 -11.639 1270 1HG1 ILE 72 1HG1 ILE 72 -2.806 -14.456 -11.451 1271 2HG1 ILE 72 2HG1 ILE 72 -2.833 -15.354 -12.970 1272 1HG2 ILE 72 1HG2 ILE 72 0.102 -13.592 -11.510 1273 2HG2 ILE 72 2HG2 ILE 72 0.284 -14.844 -10.281 1274 3HG2 ILE 72 3HG2 ILE 72 -1.227 -13.942 -10.403 1275 1HD1 ILE 72 1HD1 ILE 72 -2.239 -17.080 -10.692 1276 2HD1 ILE 72 2HD1 ILE 72 -3.474 -17.257 -11.939 1277 3HD1 ILE 72 3HD1 ILE 72 -3.792 -16.264 -10.517 1278 H THR 73 H THR 73 0.723 -12.856 -13.729 1279 HA THR 73 HA THR 73 3.471 -13.977 -13.767 1280 HB THR 73 HB THR 73 2.411 -11.179 -14.277 1281 HG1 THR 73 HG1 THR 73 3.167 -13.041 -16.240 1282 1HG2 THR 73 1HG2 THR 73 5.012 -12.520 -15.065 1283 2HG2 THR 73 2HG2 THR 73 4.833 -11.315 -13.790 1284 3HG2 THR 73 3HG2 THR 73 4.534 -10.871 -15.471 1285 H VAL 74 H VAL 74 4.609 -13.974 -11.882 1286 HA VAL 74 HA VAL 74 3.851 -12.039 -9.725 1287 HB VAL 74 HB VAL 74 5.511 -14.584 -9.713 1288 1HG1 VAL 74 1HG1 VAL 74 4.554 -13.799 -7.132 1289 2HG1 VAL 74 2HG1 VAL 74 5.383 -12.420 -7.854 1290 3HG1 VAL 74 3HG1 VAL 74 6.225 -13.958 -7.673 1291 1HG2 VAL 74 1HG2 VAL 74 3.571 -15.520 -8.495 1292 2HG2 VAL 74 2HG2 VAL 74 3.100 -14.962 -10.099 1293 3HG2 VAL 74 3HG2 VAL 74 2.719 -13.988 -8.680 1294 H SER 75 H SER 75 5.079 -10.129 -10.396 1295 HA SER 75 HA SER 75 7.970 -10.575 -10.950 1296 1HB SER 75 1HB SER 75 6.026 -8.288 -11.356 1297 2HB SER 75 2HB SER 75 7.749 -8.154 -11.695 1298 HG SER 75 HG SER 75 7.368 -10.134 -13.009 1299 H THR 76 H THR 76 9.397 -8.744 -10.024 1300 HA THR 76 HA THR 76 8.639 -8.270 -7.160 1301 HB THR 76 HB THR 76 11.071 -8.305 -6.779 1302 HG1 THR 76 HG1 THR 76 12.462 -8.460 -8.450 1303 1HG2 THR 76 1HG2 THR 76 9.998 -10.463 -6.712 1304 2HG2 THR 76 2HG2 THR 76 11.522 -10.657 -7.577 1305 3HG2 THR 76 3HG2 THR 76 10.003 -10.577 -8.472 1306 H GLY 77 H GLY 77 9.954 -6.219 -6.312 1307 1HA GLY 77 1HA GLY 77 10.671 -4.139 -8.129 1308 2HA GLY 77 2HA GLY 77 8.986 -3.915 -7.663 1309 H PHE 78 H PHE 78 10.416 -1.883 -6.853 1310 HA PHE 78 HA PHE 78 10.699 -2.293 -3.920 1311 1HB PHE 78 1HB PHE 78 12.813 -1.291 -5.843 1312 2HB PHE 78 2HB PHE 78 12.898 -0.993 -4.107 1313 HD1 PHE 78 HD1 PHE 78 14.290 -2.988 -6.452 1314 HD2 PHE 78 HD2 PHE 78 12.023 -3.377 -2.824 1315 HE1 PHE 78 HE1 PHE 78 15.234 -5.256 -6.105 1316 HE2 PHE 78 HE2 PHE 78 12.967 -5.645 -2.476 1317 HZ PHE 78 HZ PHE 78 14.570 -6.585 -4.119 1318 H MET 79 H MET 79 9.949 -0.496 -2.799 1319 HA MET 79 HA MET 79 9.353 1.958 -4.424 1320 1HB MET 79 1HB MET 79 7.788 0.229 -2.635 1321 2HB MET 79 2HB MET 79 7.636 1.945 -2.254 1322 1HG MET 79 1HG MET 79 7.340 2.196 -4.861 1323 2HG MET 79 2HG MET 79 6.891 0.494 -4.772 1324 1HE MET 79 1HE MET 79 5.205 4.183 -2.958 1325 2HE MET 79 2HE MET 79 6.498 3.905 -4.122 1326 3HE MET 79 3HE MET 79 4.817 3.988 -4.666 1327 H SER 80 H SER 80 9.098 3.930 -2.895 1328 HA SER 80 HA SER 80 11.228 3.836 -0.785 1329 1HB SER 80 1HB SER 80 11.333 5.150 -3.146 1330 2HB SER 80 2HB SER 80 10.513 6.372 -2.178 1331 HG SER 80 HG SER 80 12.893 6.385 -2.167 1332 H ILE 81 H ILE 81 9.907 3.669 1.045 1333 HA ILE 81 HA ILE 81 8.196 6.020 1.650 1334 HB ILE 81 HB ILE 81 6.899 4.167 0.458 1335 1HG1 ILE 81 1HG1 ILE 81 5.890 4.555 3.272 1336 2HG1 ILE 81 2HG1 ILE 81 6.006 5.927 2.168 1337 1HG2 ILE 81 1HG2 ILE 81 6.809 2.673 3.024 1338 2HG2 ILE 81 2HG2 ILE 81 8.283 2.494 2.073 1339 3HG2 ILE 81 3HG2 ILE 81 6.723 2.073 1.368 1340 1HD1 ILE 81 1HD1 ILE 81 4.517 3.352 1.573 1341 2HD1 ILE 81 2HD1 ILE 81 4.581 4.781 0.540 1342 3HD1 ILE 81 3HD1 ILE 81 3.758 4.855 2.099 Start of MODEL 19 1 1H MET 1 1H MET 1 14.272 0.527 -17.424 2 2H MET 1 2H MET 1 15.101 -0.889 -16.982 3 3H MET 1 3H MET 1 15.260 0.520 -16.046 4 HA MET 1 HA MET 1 13.136 -1.467 -16.050 5 1HB MET 1 1HB MET 1 14.187 0.586 -14.075 6 2HB MET 1 2HB MET 1 13.195 -0.821 -13.689 7 1HG MET 1 1HG MET 1 14.959 -2.331 -14.376 8 2HG MET 1 2HG MET 1 15.929 -0.991 -14.987 9 1HE MET 1 1HE MET 1 14.160 -2.562 -12.011 10 2HE MET 1 2HE MET 1 14.798 -1.732 -10.593 11 3HE MET 1 3HE MET 1 13.723 -0.881 -11.712 12 H THR 2 H THR 2 11.779 0.395 -14.055 13 HA THR 2 HA THR 2 10.539 2.383 -15.900 14 HB THR 2 HB THR 2 8.294 1.473 -15.102 15 HG1 THR 2 HG1 THR 2 8.497 -0.769 -14.399 16 1HG2 THR 2 1HG2 THR 2 8.201 0.198 -16.981 17 2HG2 THR 2 2HG2 THR 2 9.562 -0.806 -16.482 18 3HG2 THR 2 3HG2 THR 2 9.852 0.764 -17.232 19 HA PRO 3 HA PRO 3 10.460 4.451 -11.993 20 1HB PRO 3 1HB PRO 3 9.528 6.869 -12.854 21 2HB PRO 3 2HB PRO 3 11.184 6.313 -13.166 22 1HG PRO 3 1HG PRO 3 8.830 6.357 -14.973 23 2HG PRO 3 2HG PRO 3 10.538 6.653 -15.332 24 1HD PRO 3 1HD PRO 3 9.224 4.305 -15.883 25 2HD PRO 3 2HD PRO 3 10.978 4.445 -15.657 26 H ILE 4 H ILE 4 8.869 5.277 -10.443 27 HA ILE 4 HA ILE 4 6.013 5.132 -11.291 28 HB ILE 4 HB ILE 4 5.683 3.688 -9.181 29 1HG1 ILE 4 1HG1 ILE 4 8.653 3.233 -9.605 30 2HG1 ILE 4 2HG1 ILE 4 7.982 4.199 -8.290 31 1HG2 ILE 4 1HG2 ILE 4 6.027 1.686 -10.421 32 2HG2 ILE 4 2HG2 ILE 4 7.360 2.390 -11.336 33 3HG2 ILE 4 3HG2 ILE 4 5.706 2.925 -11.633 34 1HD1 ILE 4 1HD1 ILE 4 7.761 1.237 -8.759 35 2HD1 ILE 4 2HD1 ILE 4 6.529 2.075 -7.817 36 3HD1 ILE 4 3HD1 ILE 4 8.210 2.097 -7.285 37 H VAL 5 H VAL 5 4.566 5.962 -9.507 38 HA VAL 5 HA VAL 5 5.927 7.714 -7.519 39 HB VAL 5 HB VAL 5 4.112 8.522 -9.796 40 1HG1 VAL 5 1HG1 VAL 5 4.074 9.521 -7.087 41 2HG1 VAL 5 2HG1 VAL 5 3.094 10.026 -8.463 42 3HG1 VAL 5 3HG1 VAL 5 4.665 10.776 -8.176 43 1HG2 VAL 5 1HG2 VAL 5 5.986 10.399 -9.716 44 2HG2 VAL 5 2HG2 VAL 5 6.312 8.840 -10.476 45 3HG2 VAL 5 3HG2 VAL 5 6.880 9.160 -8.837 46 H HIS 6 H HIS 6 4.885 7.391 -5.593 47 HA HIS 6 HA HIS 6 2.078 6.361 -5.647 48 1HB HIS 6 1HB HIS 6 4.519 5.873 -4.123 49 2HB HIS 6 2HB HIS 6 3.139 6.174 -3.064 50 HD1 HIS 6 HD1 HIS 6 2.921 3.683 -2.372 51 HD2 HIS 6 HD2 HIS 6 2.570 4.311 -6.478 52 HE1 HIS 6 HE1 HIS 6 2.045 1.520 -3.356 53 H LEU 7 H LEU 7 0.647 8.065 -5.442 54 HA LEU 7 HA LEU 7 1.343 10.256 -3.516 55 1HB LEU 7 1HB LEU 7 1.062 10.889 -5.889 56 2HB LEU 7 2HB LEU 7 -0.551 10.176 -5.888 57 HG LEU 7 HG LEU 7 -0.677 11.837 -3.706 58 1HD1 LEU 7 1HD1 LEU 7 1.437 12.788 -5.523 59 2HD1 LEU 7 2HD1 LEU 7 1.105 13.239 -3.850 60 3HD1 LEU 7 3HD1 LEU 7 0.203 13.996 -5.164 61 1HD2 LEU 7 1HD2 LEU 7 -2.175 11.491 -5.823 62 2HD2 LEU 7 2HD2 LEU 7 -1.289 12.874 -6.465 63 3HD2 LEU 7 3HD2 LEU 7 -2.234 13.044 -4.986 64 H LYS 8 H LYS 8 -0.299 10.917 -2.020 65 HA LYS 8 HA LYS 8 -2.767 9.236 -1.889 66 1HB LYS 8 1HB LYS 8 -0.967 8.203 -0.535 67 2HB LYS 8 2HB LYS 8 -0.769 9.718 0.346 68 1HG LYS 8 1HG LYS 8 -2.867 9.525 1.397 69 2HG LYS 8 2HG LYS 8 -3.457 8.363 0.209 70 1HD LYS 8 1HD LYS 8 -2.921 6.818 1.792 71 2HD LYS 8 2HD LYS 8 -1.277 7.042 1.195 72 1HE LYS 8 1HE LYS 8 -0.762 7.618 3.340 73 2HE LYS 8 2HE LYS 8 -1.593 9.147 2.992 74 1HZ LYS 8 1HZ LYS 8 -3.505 8.451 3.978 75 2HZ LYS 8 2HZ LYS 8 -2.408 7.550 4.912 76 3HZ LYS 8 3HZ LYS 8 -3.238 6.814 3.625 77 H GLY 9 H GLY 9 -4.275 10.166 -0.140 78 1HA GLY 9 1HA GLY 9 -4.237 12.497 1.214 79 2HA GLY 9 2HA GLY 9 -4.341 13.102 -0.439 80 H ASP 10 H ASP 10 -6.445 13.862 0.899 81 HA ASP 10 HA ASP 10 -8.600 12.002 1.260 82 1HB ASP 10 1HB ASP 10 -8.557 14.977 0.653 83 2HB ASP 10 2HB ASP 10 -9.945 14.097 1.295 84 H ALA 11 H ALA 11 -10.089 11.204 -0.212 85 HA ALA 11 HA ALA 11 -9.611 11.035 -2.962 86 1HB ALA 11 1HB ALA 11 -11.699 10.452 -1.055 87 2HB ALA 11 2HB ALA 11 -12.415 11.020 -2.563 88 3HB ALA 11 3HB ALA 11 -11.333 9.628 -2.570 89 H ASN 12 H ASN 12 -11.270 13.603 -1.182 90 HA ASN 12 HA ASN 12 -12.427 14.910 -3.487 91 1HB ASN 12 1HB ASN 12 -13.332 15.308 -1.315 92 2HB ASN 12 2HB ASN 12 -11.748 15.709 -0.649 93 1HD2 ASN 12 1HD2 ASN 12 -10.782 17.807 -1.310 94 2HD2 ASN 12 2HD2 ASN 12 -11.773 19.054 -1.895 95 H THR 13 H THR 13 -9.586 15.797 -1.470 96 HA THR 13 HA THR 13 -8.679 17.958 -3.062 97 HB THR 13 HB THR 13 -6.907 16.003 -1.584 98 HG1 THR 13 HG1 THR 13 -7.548 17.094 0.296 99 1HG2 THR 13 1HG2 THR 13 -5.394 17.672 -1.646 100 2HG2 THR 13 2HG2 THR 13 -6.582 18.853 -1.095 101 3HG2 THR 13 3HG2 THR 13 -6.451 18.470 -2.811 102 H LEU 14 H LEU 14 -8.525 14.537 -3.646 103 HA LEU 14 HA LEU 14 -6.361 14.765 -5.651 104 1HB LEU 14 1HB LEU 14 -8.148 12.469 -4.786 105 2HB LEU 14 2HB LEU 14 -6.677 12.323 -5.751 106 HG LEU 14 HG LEU 14 -6.635 13.642 -3.038 107 1HD1 LEU 14 1HD1 LEU 14 -7.094 11.653 -2.080 108 2HD1 LEU 14 2HD1 LEU 14 -5.583 11.057 -2.767 109 3HD1 LEU 14 3HD1 LEU 14 -7.098 10.836 -3.643 110 1HD2 LEU 14 1HD2 LEU 14 -4.445 12.047 -4.343 111 2HD2 LEU 14 2HD2 LEU 14 -4.315 13.377 -3.194 112 3HD2 LEU 14 3HD2 LEU 14 -4.752 13.701 -4.871 113 H LYS 15 H LYS 15 -9.847 14.641 -5.485 114 HA LYS 15 HA LYS 15 -10.506 13.759 -8.102 115 1HB LYS 15 1HB LYS 15 -11.729 15.631 -6.075 116 2HB LYS 15 2HB LYS 15 -12.530 15.327 -7.617 117 1HG LYS 15 1HG LYS 15 -11.574 12.924 -6.177 118 2HG LYS 15 2HG LYS 15 -12.907 13.788 -5.411 119 1HD LYS 15 1HD LYS 15 -13.885 13.799 -7.876 120 2HD LYS 15 2HD LYS 15 -12.824 12.402 -8.067 121 1HE LYS 15 1HE LYS 15 -14.598 11.236 -7.199 122 2HE LYS 15 2HE LYS 15 -14.023 11.864 -5.642 123 1HZ LYS 15 1HZ LYS 15 -15.974 13.189 -7.452 124 2HZ LYS 15 2HZ LYS 15 -15.371 13.857 -6.012 125 3HZ LYS 15 3HZ LYS 15 -16.335 12.458 -5.965 126 H CYS 16 H CYS 16 -9.760 17.030 -6.899 127 HA CYS 16 HA CYS 16 -10.193 18.370 -9.422 128 1HB CYS 16 1HB CYS 16 -10.272 19.558 -7.321 129 2HB CYS 16 2HB CYS 16 -8.644 19.026 -6.899 130 HG CYS 16 HG CYS 16 -8.121 21.279 -7.903 131 H LEU 17 H LEU 17 -7.360 16.876 -7.896 132 HA LEU 17 HA LEU 17 -5.325 17.899 -9.595 133 1HB LEU 17 1HB LEU 17 -5.790 15.653 -7.745 134 2HB LEU 17 2HB LEU 17 -4.561 15.325 -8.969 135 HG LEU 17 HG LEU 17 -3.375 17.385 -8.360 136 1HD1 LEU 17 1HD1 LEU 17 -4.693 19.018 -7.502 137 2HD1 LEU 17 2HD1 LEU 17 -4.450 18.207 -5.955 138 3HD1 LEU 17 3HD1 LEU 17 -5.890 17.863 -6.914 139 1HD2 LEU 17 1HD2 LEU 17 -4.087 15.657 -5.968 140 2HD2 LEU 17 2HD2 LEU 17 -2.683 16.719 -6.068 141 3HD2 LEU 17 3HD2 LEU 17 -2.813 15.325 -7.139 142 H ARG 18 H ARG 18 -7.118 14.802 -9.896 143 HA ARG 18 HA ARG 18 -6.084 13.781 -12.243 144 1HB ARG 18 1HB ARG 18 -7.931 12.917 -10.723 145 2HB ARG 18 2HB ARG 18 -9.039 13.966 -11.608 146 1HG ARG 18 1HG ARG 18 -8.221 12.829 -13.737 147 2HG ARG 18 2HG ARG 18 -7.423 11.650 -12.697 148 1HD ARG 18 1HD ARG 18 -9.789 11.031 -13.508 149 2HD ARG 18 2HD ARG 18 -9.521 10.931 -11.756 150 HE ARG 18 HE ARG 18 -10.714 13.027 -11.490 151 1HH1 ARG 18 1HH2 ARG 18 -11.597 11.235 -14.147 152 2HH1 ARG 18 2HH2 ARG 18 -12.363 12.528 -15.005 153 1HH2 ARG 18 1HH1 ARG 18 -11.232 14.989 -12.838 154 2HH2 ARG 18 2HH1 ARG 18 -12.156 14.656 -14.264 155 H TYR 19 H TYR 19 -8.002 16.699 -11.923 156 HA TYR 19 HA TYR 19 -8.953 16.907 -14.622 157 1HB TYR 19 1HB TYR 19 -9.797 18.263 -12.768 158 2HB TYR 19 2HB TYR 19 -8.204 18.987 -12.541 159 HD1 TYR 19 HD1 TYR 19 -10.901 18.544 -15.098 160 HD2 TYR 19 HD2 TYR 19 -7.603 20.930 -13.720 161 HE1 TYR 19 HE1 TYR 19 -11.434 20.264 -16.805 162 HE2 TYR 19 HE2 TYR 19 -8.136 22.651 -15.425 163 HH TYR 19 HH TYR 19 -9.344 22.638 -17.734 164 H ARG 20 H ARG 20 -5.969 18.064 -13.043 165 HA ARG 20 HA ARG 20 -4.861 19.436 -15.292 166 1HB ARG 20 1HB ARG 20 -3.605 17.985 -12.939 167 2HB ARG 20 2HB ARG 20 -2.743 19.109 -13.989 168 1HG ARG 20 1HG ARG 20 -4.169 20.937 -13.330 169 2HG ARG 20 2HG ARG 20 -5.258 19.847 -12.470 170 1HD ARG 20 1HD ARG 20 -4.021 20.382 -10.626 171 2HD ARG 20 2HD ARG 20 -2.797 19.294 -11.309 172 HE ARG 20 HE ARG 20 -1.522 21.210 -11.807 173 1HH1 ARG 20 1HH2 ARG 20 -4.766 22.060 -11.090 174 2HH1 ARG 20 2HH2 ARG 20 -4.602 23.700 -11.623 175 1HH2 ARG 20 1HH1 ARG 20 -1.342 23.294 -12.735 176 2HH2 ARG 20 2HH1 ARG 20 -2.665 24.400 -12.554 177 H PHE 21 H PHE 21 -4.992 16.029 -14.434 178 HA PHE 21 HA PHE 21 -2.894 15.079 -16.154 179 1HB PHE 21 1HB PHE 21 -5.439 13.817 -15.084 180 2HB PHE 21 2HB PHE 21 -4.126 12.914 -15.837 181 HD1 PHE 21 HD1 PHE 21 -2.583 15.607 -14.266 182 HD2 PHE 21 HD2 PHE 21 -4.536 11.894 -13.329 183 HE1 PHE 21 HE1 PHE 21 -1.390 15.527 -12.094 184 HE2 PHE 21 HE2 PHE 21 -3.340 11.816 -11.157 185 HZ PHE 21 HZ PHE 21 -1.768 13.632 -10.540 186 H LYS 22 H LYS 22 -6.064 16.291 -16.816 187 HA LYS 22 HA LYS 22 -6.704 14.837 -19.200 188 1HB LYS 22 1HB LYS 22 -7.321 17.670 -18.295 189 2HB LYS 22 2HB LYS 22 -8.157 16.838 -19.605 190 1HG LYS 22 1HG LYS 22 -7.988 15.714 -16.801 191 2HG LYS 22 2HG LYS 22 -9.314 16.744 -17.338 192 1HD LYS 22 1HD LYS 22 -10.238 15.106 -18.625 193 2HD LYS 22 2HD LYS 22 -8.666 14.504 -19.157 194 1HE LYS 22 1HE LYS 22 -8.346 13.418 -16.939 195 2HE LYS 22 2HE LYS 22 -9.962 13.973 -16.458 196 1HZ LYS 22 1HZ LYS 22 -9.576 11.657 -17.671 197 2HZ LYS 22 2HZ LYS 22 -9.729 12.647 -19.044 198 3HZ LYS 22 3HZ LYS 22 -10.983 12.577 -17.899 199 H LYS 23 H LYS 23 -5.240 18.097 -18.856 200 HA LYS 23 HA LYS 23 -4.478 18.221 -21.663 201 1HB LYS 23 1HB LYS 23 -4.372 19.852 -19.209 202 2HB LYS 23 2HB LYS 23 -3.019 20.129 -20.308 203 1HG LYS 23 1HG LYS 23 -4.958 21.617 -20.795 204 2HG LYS 23 2HG LYS 23 -4.559 20.563 -22.152 205 1HD LYS 23 1HD LYS 23 -6.580 19.569 -22.071 206 2HD LYS 23 2HD LYS 23 -6.422 19.267 -20.339 207 1HE LYS 23 1HE LYS 23 -6.840 22.026 -20.494 208 2HE LYS 23 2HE LYS 23 -7.951 21.345 -21.700 209 1HZ LYS 23 1HZ LYS 23 -7.629 20.234 -18.966 210 2HZ LYS 23 2HZ LYS 23 -8.820 19.836 -20.110 211 3HZ LYS 23 3HZ LYS 23 -8.829 21.365 -19.368 212 H HIS 24 H HIS 24 -2.995 17.071 -18.711 213 HA HIS 24 HA HIS 24 -0.305 16.917 -19.964 214 1HB HIS 24 1HB HIS 24 -1.288 16.078 -17.218 215 2HB HIS 24 2HB HIS 24 0.387 16.350 -17.702 216 HD1 HIS 24 HD1 HIS 24 -0.922 17.998 -15.401 217 HD2 HIS 24 HD2 HIS 24 -0.724 19.259 -19.369 218 HE1 HIS 24 HE1 HIS 24 -1.120 20.522 -15.360 219 H CYS 25 H CYS 25 -2.545 15.248 -20.979 220 HA CYS 25 HA CYS 25 -2.520 12.581 -20.029 221 1HB CYS 25 1HB CYS 25 -3.269 12.090 -22.372 222 2HB CYS 25 2HB CYS 25 -4.109 13.467 -21.660 223 HG CYS 25 HG CYS 25 -3.276 14.778 -23.582 224 H THR 26 H THR 26 -0.122 14.341 -21.870 225 HA THR 26 HA THR 26 1.326 11.841 -22.581 226 HB THR 26 HB THR 26 1.064 13.503 -24.314 227 HG1 THR 26 HG1 THR 26 3.277 12.551 -23.691 228 1HG2 THR 26 1HG2 THR 26 0.611 15.551 -23.365 229 2HG2 THR 26 2HG2 THR 26 2.320 15.790 -23.726 230 3HG2 THR 26 3HG2 THR 26 1.818 15.347 -22.095 231 H LEU 27 H LEU 27 1.108 13.412 -19.802 232 HA LEU 27 HA LEU 27 3.993 13.872 -19.298 233 1HB LEU 27 1HB LEU 27 1.377 14.525 -18.072 234 2HB LEU 27 2HB LEU 27 2.698 14.263 -16.932 235 HG LEU 27 HG LEU 27 4.057 15.822 -18.522 236 1HD1 LEU 27 1HD1 LEU 27 2.902 17.169 -20.007 237 2HD1 LEU 27 2HD1 LEU 27 1.389 17.039 -19.113 238 3HD1 LEU 27 3HD1 LEU 27 1.934 15.700 -20.122 239 1HD2 LEU 27 1HD2 LEU 27 2.741 17.844 -17.388 240 2HD2 LEU 27 2HD2 LEU 27 3.705 16.730 -16.418 241 3HD2 LEU 27 3HD2 LEU 27 1.956 16.531 -16.511 242 H TYR 28 H TYR 28 1.493 11.483 -18.648 243 HA TYR 28 HA TYR 28 3.467 9.936 -16.998 244 1HB TYR 28 1HB TYR 28 1.350 8.908 -16.050 245 2HB TYR 28 2HB TYR 28 1.541 10.627 -15.709 246 HD1 TYR 28 HD1 TYR 28 0.117 12.293 -16.751 247 HD2 TYR 28 HD2 TYR 28 -0.268 8.130 -17.745 248 HE1 TYR 28 HE1 TYR 28 -2.039 12.762 -17.884 249 HE2 TYR 28 HE2 TYR 28 -2.424 8.600 -18.879 250 HH TYR 28 HH TYR 28 -4.136 11.440 -18.464 251 H THR 29 H THR 29 3.105 7.494 -17.230 252 HA THR 29 HA THR 29 2.693 6.850 -20.110 253 HB THR 29 HB THR 29 3.800 5.065 -17.940 254 HG1 THR 29 HG1 THR 29 4.924 7.308 -19.185 255 1HG2 THR 29 1HG2 THR 29 5.277 4.743 -20.235 256 2HG2 THR 29 2HG2 THR 29 3.675 5.105 -20.880 257 3HG2 THR 29 3HG2 THR 29 3.896 3.743 -19.780 258 H ALA 30 H ALA 30 1.536 6.001 -16.863 259 HA ALA 30 HA ALA 30 -0.930 4.882 -18.025 260 1HB ALA 30 1HB ALA 30 0.636 3.057 -16.235 261 2HB ALA 30 2HB ALA 30 -0.518 2.652 -17.507 262 3HB ALA 30 3HB ALA 30 1.110 3.183 -17.930 263 H VAL 31 H VAL 31 -2.451 5.800 -16.688 264 HA VAL 31 HA VAL 31 -1.778 6.402 -13.867 265 HB VAL 31 HB VAL 31 -2.931 8.023 -15.370 266 1HG1 VAL 31 1HG1 VAL 31 -4.805 7.496 -16.547 267 2HG1 VAL 31 2HG1 VAL 31 -5.506 6.596 -15.201 268 3HG1 VAL 31 3HG1 VAL 31 -4.320 5.826 -16.256 269 1HG2 VAL 31 1HG2 VAL 31 -4.533 6.970 -13.020 270 2HG2 VAL 31 2HG2 VAL 31 -4.840 8.518 -13.807 271 3HG2 VAL 31 3HG2 VAL 31 -3.308 8.238 -12.980 272 H SER 32 H SER 32 -2.420 5.078 -12.197 273 HA SER 32 HA SER 32 -4.006 2.667 -12.814 274 1HB SER 32 1HB SER 32 -2.197 2.204 -11.420 275 2HB SER 32 2HB SER 32 -2.328 3.741 -10.572 276 HG SER 32 HG SER 32 -3.058 1.762 -9.439 277 H SER 33 H SER 33 -6.040 2.205 -11.847 278 HA SER 33 HA SER 33 -7.849 4.368 -11.447 279 1HB SER 33 1HB SER 33 -9.390 2.648 -11.191 280 2HB SER 33 2HB SER 33 -8.072 1.767 -11.959 281 HG SER 33 HG SER 33 -7.400 1.090 -9.919 282 H THR 34 H THR 34 -9.095 4.726 -9.361 283 HA THR 34 HA THR 34 -7.320 5.452 -7.214 284 HB THR 34 HB THR 34 -10.040 5.284 -6.351 285 HG1 THR 34 HG1 THR 34 -11.120 6.088 -8.073 286 1HG2 THR 34 1HG2 THR 34 -8.815 7.735 -7.578 287 2HG2 THR 34 2HG2 THR 34 -8.133 7.067 -6.095 288 3HG2 THR 34 3HG2 THR 34 -9.816 7.594 -6.133 289 H TRP 35 H TRP 35 -6.469 4.066 -5.717 290 HA TRP 35 HA TRP 35 -8.177 1.885 -4.632 291 1HB TRP 35 1HB TRP 35 -6.578 0.197 -5.183 292 2HB TRP 35 2HB TRP 35 -6.754 1.158 -6.650 293 HD1 TRP 35 HD1 TRP 35 -4.729 2.637 -7.419 294 HE1 TRP 35 HE1 TRP 35 -2.256 2.739 -6.697 295 HE3 TRP 35 HE3 TRP 35 -4.962 -0.067 -3.092 296 HZ2 TRP 35 HZ2 TRP 35 -0.596 1.798 -4.564 297 HZ3 TRP 35 HZ3 TRP 35 -2.922 -0.448 -1.734 298 HH2 TRP 35 HH2 TRP 35 -0.741 0.481 -2.465 299 H HIS 36 H HIS 36 -6.831 0.791 -2.744 300 HA HIS 36 HA HIS 36 -4.802 2.505 -1.496 301 1HB HIS 36 1HB HIS 36 -6.261 3.056 0.440 302 2HB HIS 36 2HB HIS 36 -6.895 3.721 -1.066 303 HD1 HIS 36 HD1 HIS 36 -9.196 2.972 -1.782 304 HD2 HIS 36 HD2 HIS 36 -7.650 0.605 1.281 305 HE1 HIS 36 HE1 HIS 36 -11.067 1.423 -1.060 306 H TRP 37 H TRP 37 -4.360 1.638 0.809 307 HA TRP 37 HA TRP 37 -4.068 -1.273 0.661 308 1HB TRP 37 1HB TRP 37 -3.387 0.832 2.738 309 2HB TRP 37 2HB TRP 37 -2.902 -0.859 2.856 310 HD1 TRP 37 HD1 TRP 37 -1.744 2.359 1.551 311 HE1 TRP 37 HE1 TRP 37 0.226 2.044 -0.080 312 HE3 TRP 37 HE3 TRP 37 -2.042 -2.681 0.774 313 HZ2 TRP 37 HZ2 TRP 37 1.507 -0.067 -1.524 314 HZ3 TRP 37 HZ3 TRP 37 -0.435 -3.817 -0.734 315 HH2 TRP 37 HH2 TRP 37 1.337 -2.517 -1.882 316 H THR 38 H THR 38 -5.558 -2.704 1.463 317 HA THR 38 HA THR 38 -7.023 -2.157 3.937 318 HB THR 38 HB THR 38 -8.270 -0.824 2.288 319 HG1 THR 38 HG1 THR 38 -9.872 -3.084 2.580 320 1HG2 THR 38 1HG2 THR 38 -9.508 -2.450 0.545 321 2HG2 THR 38 2HG2 THR 38 -8.001 -3.346 0.728 322 3HG2 THR 38 3HG2 THR 38 -7.970 -1.672 0.174 323 H GLY 39 H GLY 39 -8.439 -4.051 4.499 324 1HA GLY 39 1HA GLY 39 -7.702 -6.517 2.980 325 2HA GLY 39 2HA GLY 39 -7.581 -6.477 4.739 326 H HIS 40 H HIS 40 -9.736 -5.668 5.813 327 HA HIS 40 HA HIS 40 -12.207 -6.259 4.369 328 1HB HIS 40 1HB HIS 40 -11.018 -8.483 4.848 329 2HB HIS 40 2HB HIS 40 -11.343 -8.170 6.552 330 HD1 HIS 40 HD1 HIS 40 -13.846 -7.097 3.994 331 HD2 HIS 40 HD2 HIS 40 -13.288 -10.279 6.628 332 HE1 HIS 40 HE1 HIS 40 -16.041 -8.360 4.068 333 H ASN 41 H ASN 41 -10.735 -6.228 7.639 334 HA ASN 41 HA ASN 41 -13.002 -4.466 8.518 335 1HB ASN 41 1HB ASN 41 -12.253 -7.058 9.358 336 2HB ASN 41 2HB ASN 41 -11.745 -5.969 10.651 337 1HD2 ASN 41 1HD2 ASN 41 -14.612 -6.457 8.502 338 2HD2 ASN 41 2HD2 ASN 41 -15.755 -6.114 9.710 339 H VAL 42 H VAL 42 -11.065 -2.968 7.629 340 HA VAL 42 HA VAL 42 -9.460 -2.195 10.037 341 HB VAL 42 HB VAL 42 -7.618 -1.694 8.370 342 1HG1 VAL 42 1HG1 VAL 42 -8.642 -4.329 9.191 343 2HG1 VAL 42 2HG1 VAL 42 -7.012 -3.667 9.317 344 3HG1 VAL 42 3HG1 VAL 42 -7.555 -4.389 7.802 345 1HG2 VAL 42 1HG2 VAL 42 -7.837 -2.843 6.157 346 2HG2 VAL 42 2HG2 VAL 42 -8.988 -1.522 6.357 347 3HG2 VAL 42 3HG2 VAL 42 -9.522 -3.193 6.542 348 H LYS 43 H LYS 43 -8.981 0.105 10.122 349 HA LYS 43 HA LYS 43 -11.046 1.865 9.372 350 1HB LYS 43 1HB LYS 43 -9.522 3.569 10.097 351 2HB LYS 43 2HB LYS 43 -9.120 2.131 11.037 352 1HG LYS 43 1HG LYS 43 -7.437 1.627 9.115 353 2HG LYS 43 2HG LYS 43 -7.639 3.331 8.705 354 1HD LYS 43 1HD LYS 43 -6.545 4.054 10.580 355 2HD LYS 43 2HD LYS 43 -7.170 2.738 11.575 356 1HE LYS 43 1HE LYS 43 -4.993 1.991 11.411 357 2HE LYS 43 2HE LYS 43 -5.575 1.332 9.868 358 1HZ LYS 43 1HZ LYS 43 -4.174 3.895 10.350 359 2HZ LYS 43 2HZ LYS 43 -5.071 3.617 8.934 360 3HZ LYS 43 3HZ LYS 43 -3.729 2.640 9.300 361 H HIS 44 H HIS 44 -11.579 2.810 7.438 362 HA HIS 44 HA HIS 44 -10.396 2.118 4.961 363 1HB HIS 44 1HB HIS 44 -11.918 4.626 5.744 364 2HB HIS 44 2HB HIS 44 -11.777 3.968 4.113 365 HD1 HIS 44 HD1 HIS 44 -13.510 3.429 7.386 366 HD2 HIS 44 HD2 HIS 44 -13.315 1.595 3.647 367 HE1 HIS 44 HE1 HIS 44 -15.407 1.754 7.311 368 H LYS 45 H LYS 45 -8.822 3.150 3.668 369 HA LYS 45 HA LYS 45 -7.157 5.204 5.077 370 1HB LYS 45 1HB LYS 45 -6.516 2.754 4.056 371 2HB LYS 45 2HB LYS 45 -6.148 3.790 2.677 372 1HG LYS 45 1HG LYS 45 -4.141 3.682 3.977 373 2HG LYS 45 2HG LYS 45 -4.846 5.268 4.295 374 1HD LYS 45 1HD LYS 45 -5.958 4.271 6.332 375 2HD LYS 45 2HD LYS 45 -5.012 2.808 6.055 376 1HE LYS 45 1HE LYS 45 -3.507 5.388 6.096 377 2HE LYS 45 2HE LYS 45 -4.105 4.770 7.648 378 1HZ LYS 45 1HZ LYS 45 -2.320 3.445 5.702 379 2HZ LYS 45 2HZ LYS 45 -3.227 2.533 6.812 380 3HZ LYS 45 3HZ LYS 45 -2.090 3.667 7.367 381 H SER 46 H SER 46 -5.910 6.583 3.297 382 HA SER 46 HA SER 46 -7.974 7.967 1.724 383 1HB SER 46 1HB SER 46 -4.990 8.447 1.959 384 2HB SER 46 2HB SER 46 -6.206 9.610 1.439 385 HG SER 46 HG SER 46 -5.619 9.851 3.651 386 H ALA 47 H ALA 47 -8.450 7.224 -0.297 387 HA ALA 47 HA ALA 47 -7.362 5.303 -1.875 388 1HB ALA 47 1HB ALA 47 -9.178 6.279 -2.871 389 2HB ALA 47 2HB ALA 47 -8.714 7.898 -2.347 390 3HB ALA 47 3HB ALA 47 -7.948 7.176 -3.761 391 H ILE 48 H ILE 48 -5.713 5.167 -3.501 392 HA ILE 48 HA ILE 48 -3.715 7.388 -3.580 393 HB ILE 48 HB ILE 48 -3.083 4.458 -3.105 394 1HG1 ILE 48 1HG1 ILE 48 -3.066 6.747 -1.113 395 2HG1 ILE 48 2HG1 ILE 48 -4.331 5.519 -1.203 396 1HG2 ILE 48 1HG2 ILE 48 -1.466 6.406 -4.106 397 2HG2 ILE 48 2HG2 ILE 48 -0.882 5.059 -3.128 398 3HG2 ILE 48 3HG2 ILE 48 -1.197 6.622 -2.376 399 1HD1 ILE 48 1HD1 ILE 48 -1.886 4.107 -1.175 400 2HD1 ILE 48 2HD1 ILE 48 -3.070 4.210 0.128 401 3HD1 ILE 48 3HD1 ILE 48 -1.734 5.358 0.060 402 H VAL 49 H VAL 49 -3.031 7.723 -5.670 403 HA VAL 49 HA VAL 49 -3.553 5.547 -7.672 404 HB VAL 49 HB VAL 49 -3.412 8.529 -8.178 405 1HG1 VAL 49 1HG1 VAL 49 -3.857 6.143 -9.762 406 2HG1 VAL 49 2HG1 VAL 49 -3.650 7.810 -10.300 407 3HG1 VAL 49 3HG1 VAL 49 -5.251 7.218 -9.858 408 1HG2 VAL 49 1HG2 VAL 49 -5.143 8.194 -6.498 409 2HG2 VAL 49 2HG2 VAL 49 -5.803 6.829 -7.398 410 3HG2 VAL 49 3HG2 VAL 49 -5.921 8.460 -8.059 411 H THR 50 H THR 50 -1.715 4.758 -8.613 412 HA THR 50 HA THR 50 0.850 6.203 -8.231 413 HB THR 50 HB THR 50 0.170 3.472 -9.374 414 HG1 THR 50 HG1 THR 50 0.983 2.855 -7.242 415 1HG2 THR 50 1HG2 THR 50 2.653 3.158 -8.550 416 2HG2 THR 50 2HG2 THR 50 2.727 4.909 -8.750 417 3HG2 THR 50 3HG2 THR 50 2.332 3.879 -10.126 418 H LEU 51 H LEU 51 2.277 6.568 -10.097 419 HA LEU 51 HA LEU 51 0.876 6.598 -12.744 420 1HB LEU 51 1HB LEU 51 2.366 8.789 -11.278 421 2HB LEU 51 2HB LEU 51 2.036 8.872 -13.009 422 HG LEU 51 HG LEU 51 -0.248 8.222 -11.201 423 1HD1 LEU 51 1HD1 LEU 51 1.160 10.212 -10.263 424 2HD1 LEU 51 2HD1 LEU 51 -0.579 10.426 -10.458 425 3HD1 LEU 51 3HD1 LEU 51 0.532 11.096 -11.653 426 1HD2 LEU 51 1HD2 LEU 51 -1.466 8.864 -13.015 427 2HD2 LEU 51 2HD2 LEU 51 0.054 8.685 -13.891 428 3HD2 LEU 51 3HD2 LEU 51 -0.449 10.273 -13.314 429 H THR 52 H THR 52 2.141 5.651 -14.294 430 HA THR 52 HA THR 52 4.994 5.085 -13.661 431 HB THR 52 HB THR 52 4.690 3.566 -15.676 432 HG1 THR 52 HG1 THR 52 2.947 3.792 -16.794 433 1HG2 THR 52 1HG2 THR 52 4.426 2.417 -13.677 434 2HG2 THR 52 2HG2 THR 52 2.837 2.179 -14.406 435 3HG2 THR 52 3HG2 THR 52 3.063 3.412 -13.165 436 H TYR 53 H TYR 53 6.627 6.174 -14.711 437 HA TYR 53 HA TYR 53 5.858 7.959 -16.995 438 1HB TYR 53 1HB TYR 53 8.145 8.113 -15.000 439 2HB TYR 53 2HB TYR 53 7.762 9.326 -16.222 440 HD1 TYR 53 HD1 TYR 53 6.387 7.572 -13.229 441 HD2 TYR 53 HD2 TYR 53 6.118 10.987 -15.824 442 HE1 TYR 53 HE1 TYR 53 4.756 8.621 -11.682 443 HE2 TYR 53 HE2 TYR 53 4.486 12.034 -14.276 444 HH TYR 53 HH TYR 53 4.098 11.482 -11.367 445 H ASP 54 H ASP 54 7.260 7.993 -18.831 446 HA ASP 54 HA ASP 54 8.598 5.484 -19.435 447 1HB ASP 54 1HB ASP 54 8.031 8.114 -20.756 448 2HB ASP 54 2HB ASP 54 9.244 7.059 -21.483 449 H SER 55 H SER 55 9.575 8.256 -17.758 450 HA SER 55 HA SER 55 12.329 7.356 -17.585 451 1HB SER 55 1HB SER 55 13.364 9.033 -18.915 452 2HB SER 55 2HB SER 55 12.013 8.468 -19.895 453 HG SER 55 HG SER 55 12.411 10.880 -19.413 454 H GLU 56 H GLU 56 13.557 8.700 -16.070 455 HA GLU 56 HA GLU 56 11.997 9.779 -13.922 456 1HB GLU 56 1HB GLU 56 14.905 9.836 -14.740 457 2HB GLU 56 2HB GLU 56 14.356 10.618 -13.257 458 1HG GLU 56 1HG GLU 56 13.676 7.742 -13.886 459 2HG GLU 56 2HG GLU 56 15.162 8.185 -13.045 460 H TRP 57 H TRP 57 13.726 11.317 -16.626 461 HA TRP 57 HA TRP 57 13.605 14.019 -15.841 462 1HB TRP 57 1HB TRP 57 14.500 12.657 -17.967 463 2HB TRP 57 2HB TRP 57 12.996 13.257 -18.666 464 HD1 TRP 57 HD1 TRP 57 12.934 15.707 -19.425 465 HE1 TRP 57 HE1 TRP 57 14.568 17.697 -19.279 466 HE3 TRP 57 HE3 TRP 57 16.469 13.720 -16.321 467 HZ2 TRP 57 HZ2 TRP 57 17.049 18.357 -18.013 468 HZ3 TRP 57 HZ3 TRP 57 18.456 15.048 -15.661 469 HH2 TRP 57 HH2 TRP 57 18.749 17.362 -16.503 470 H GLN 58 H GLN 58 11.184 12.247 -17.814 471 HA GLN 58 HA GLN 58 9.269 14.327 -17.989 472 1HB GLN 58 1HB GLN 58 9.241 12.268 -19.317 473 2HB GLN 58 2HB GLN 58 8.946 11.312 -17.865 474 1HG GLN 58 1HG GLN 58 6.819 12.579 -17.516 475 2HG GLN 58 2HG GLN 58 7.100 13.406 -19.047 476 1HE2 GLN 58 1HE2 GLN 58 5.170 12.411 -20.008 477 2HE2 GLN 58 2HE2 GLN 58 5.160 10.771 -20.446 478 H ARG 59 H ARG 59 9.804 11.922 -15.422 479 HA ARG 59 HA ARG 59 7.423 12.343 -13.923 480 1HB ARG 59 1HB ARG 59 9.068 10.537 -13.557 481 2HB ARG 59 2HB ARG 59 10.261 11.725 -13.028 482 1HG ARG 59 1HG ARG 59 8.248 12.388 -11.369 483 2HG ARG 59 2HG ARG 59 7.863 10.682 -11.602 484 1HD ARG 59 1HD ARG 59 10.097 10.024 -10.868 485 2HD ARG 59 2HD ARG 59 10.592 11.725 -10.756 486 HE ARG 59 HE ARG 59 8.185 11.261 -9.229 487 1HH1 ARG 59 1HH2 ARG 59 11.430 12.058 -9.067 488 2HH1 ARG 59 2HH2 ARG 59 11.671 11.516 -7.440 489 1HH2 ARG 59 1HH1 ARG 59 8.554 10.013 -7.199 490 2HH2 ARG 59 2HH1 ARG 59 10.043 10.357 -6.382 491 H ASP 60 H ASP 60 10.555 14.055 -13.816 492 HA ASP 60 HA ASP 60 9.969 15.796 -11.634 493 1HB ASP 60 1HB ASP 60 11.957 15.383 -13.669 494 2HB ASP 60 2HB ASP 60 11.608 17.108 -13.553 495 H GLN 61 H GLN 61 9.222 16.038 -15.096 496 HA GLN 61 HA GLN 61 8.369 18.778 -15.107 497 1HB GLN 61 1HB GLN 61 7.701 16.343 -16.785 498 2HB GLN 61 2HB GLN 61 7.177 17.974 -17.204 499 1HG GLN 61 1HG GLN 61 9.517 18.729 -17.258 500 2HG GLN 61 2HG GLN 61 10.058 17.113 -16.804 501 1HE2 GLN 61 1HE2 GLN 61 10.605 15.796 -18.544 502 2HE2 GLN 61 2HE2 GLN 61 10.026 15.984 -20.129 503 H PHE 62 H PHE 62 6.540 15.731 -14.715 504 HA PHE 62 HA PHE 62 3.930 16.789 -14.556 505 1HB PHE 62 1HB PHE 62 4.217 14.451 -14.705 506 2HB PHE 62 2HB PHE 62 5.365 14.418 -13.368 507 HD1 PHE 62 HD1 PHE 62 1.877 14.237 -14.325 508 HD2 PHE 62 HD2 PHE 62 4.543 14.905 -11.022 509 HE1 PHE 62 HE1 PHE 62 0.024 13.789 -12.739 510 HE2 PHE 62 HE2 PHE 62 2.688 14.458 -9.435 511 HZ PHE 62 HZ PHE 62 0.429 13.901 -10.294 512 H LEU 63 H LEU 63 6.220 16.176 -11.858 513 HA LEU 63 HA LEU 63 4.565 17.113 -9.748 514 1HB LEU 63 1HB LEU 63 7.575 17.186 -10.131 515 2HB LEU 63 2HB LEU 63 6.756 17.365 -8.578 516 HG LEU 63 HG LEU 63 6.497 14.953 -10.398 517 1HD1 LEU 63 1HD1 LEU 63 7.861 14.991 -7.717 518 2HD1 LEU 63 2HD1 LEU 63 8.753 15.447 -9.167 519 3HD1 LEU 63 3HD1 LEU 63 8.046 13.838 -9.038 520 1HD2 LEU 63 1HD2 LEU 63 4.515 15.273 -9.033 521 2HD2 LEU 63 2HD2 LEU 63 5.500 15.573 -7.601 522 3HD2 LEU 63 3HD2 LEU 63 5.462 13.965 -8.324 523 H SER 64 H SER 64 6.972 18.906 -11.699 524 HA SER 64 HA SER 64 6.632 21.427 -10.379 525 1HB SER 64 1HB SER 64 8.237 20.304 -12.328 526 2HB SER 64 2HB SER 64 7.292 21.474 -13.244 527 HG SER 64 HG SER 64 8.414 22.991 -12.336 528 H GLN 65 H GLN 65 4.691 19.753 -12.728 529 HA GLN 65 HA GLN 65 3.237 22.222 -13.509 530 1HB GLN 65 1HB GLN 65 3.070 19.308 -14.340 531 2HB GLN 65 2HB GLN 65 2.121 20.605 -15.068 532 1HG GLN 65 1HG GLN 65 4.996 21.198 -14.928 533 2HG GLN 65 2HG GLN 65 4.614 19.797 -15.930 534 1HE2 GLN 65 1HE2 GLN 65 4.241 20.373 -18.065 535 2HE2 GLN 65 2HE2 GLN 65 3.544 21.832 -18.579 536 H VAL 66 H VAL 66 2.977 19.581 -11.288 537 HA VAL 66 HA VAL 66 0.056 20.111 -10.898 538 HB VAL 66 HB VAL 66 0.036 17.896 -9.893 539 1HG1 VAL 66 1HG1 VAL 66 0.983 18.437 -12.560 540 2HG1 VAL 66 2HG1 VAL 66 -0.050 17.120 -12.004 541 3HG1 VAL 66 3HG1 VAL 66 1.703 16.937 -11.977 542 1HG2 VAL 66 1HG2 VAL 66 1.963 17.616 -8.642 543 2HG2 VAL 66 2HG2 VAL 66 2.991 18.360 -9.867 544 3HG2 VAL 66 3HG2 VAL 66 2.422 16.704 -10.080 545 H LYS 67 H LYS 67 -0.258 21.604 -9.286 546 HA LYS 67 HA LYS 67 1.689 22.193 -7.230 547 1HB LYS 67 1HB LYS 67 -0.045 23.730 -8.211 548 2HB LYS 67 2HB LYS 67 -1.282 22.803 -7.361 549 1HG LYS 67 1HG LYS 67 -0.925 24.094 -5.553 550 2HG LYS 67 2HG LYS 67 0.691 23.397 -5.434 551 1HD LYS 67 1HD LYS 67 1.681 25.160 -6.633 552 2HD LYS 67 2HD LYS 67 0.145 25.663 -7.340 553 1HE LYS 67 1HE LYS 67 0.288 25.749 -4.369 554 2HE LYS 67 2HE LYS 67 1.254 26.957 -5.239 555 1HZ LYS 67 1HZ LYS 67 -1.449 26.412 -6.213 556 2HZ LYS 67 2HZ LYS 67 -0.572 27.866 -6.214 557 3HZ LYS 67 3HZ LYS 67 -1.310 27.317 -4.786 558 H ILE 68 H ILE 68 2.107 20.784 -5.567 559 HA ILE 68 HA ILE 68 0.075 18.834 -4.701 560 HB ILE 68 HB ILE 68 2.694 18.669 -5.086 561 1HG1 ILE 68 1HG1 ILE 68 2.725 16.894 -3.231 562 2HG1 ILE 68 2HG1 ILE 68 1.065 17.384 -2.893 563 1HG2 ILE 68 1HG2 ILE 68 3.947 18.918 -2.983 564 2HG2 ILE 68 2HG2 ILE 68 2.495 19.516 -2.180 565 3HG2 ILE 68 3HG2 ILE 68 3.241 20.460 -3.468 566 1HD1 ILE 68 1HD1 ILE 68 0.327 16.746 -5.063 567 2HD1 ILE 68 2HD1 ILE 68 1.375 15.430 -4.535 568 3HD1 ILE 68 3HD1 ILE 68 1.977 16.634 -5.675 569 HA PRO 69 HA PRO 69 -0.880 21.420 -1.241 570 1HB PRO 69 1HB PRO 69 -2.841 19.864 -0.137 571 2HB PRO 69 2HB PRO 69 -3.085 20.824 -1.611 572 1HG PRO 69 1HG PRO 69 -2.523 17.916 -1.319 573 2HG PRO 69 2HG PRO 69 -3.617 18.747 -2.436 574 1HD PRO 69 1HD PRO 69 -1.172 17.822 -3.167 575 2HD PRO 69 2HD PRO 69 -1.947 19.230 -3.924 576 H LYS 70 H LYS 70 -0.833 21.314 1.169 577 HA LYS 70 HA LYS 70 1.365 19.772 2.185 578 1HB LYS 70 1HB LYS 70 -0.709 21.659 3.147 579 2HB LYS 70 2HB LYS 70 -0.013 20.612 4.384 580 1HG LYS 70 1HG LYS 70 1.843 21.877 4.428 581 2HG LYS 70 2HG LYS 70 2.109 21.561 2.713 582 1HD LYS 70 1HD LYS 70 0.512 23.400 2.167 583 2HD LYS 70 2HD LYS 70 0.380 23.757 3.890 584 1HE LYS 70 1HE LYS 70 3.060 23.813 3.687 585 2HE LYS 70 2HE LYS 70 2.650 24.277 2.024 586 1HZ LYS 70 1HZ LYS 70 1.183 25.473 4.279 587 2HZ LYS 70 2HZ LYS 70 1.452 26.097 2.721 588 3HZ LYS 70 3HZ LYS 70 2.710 26.087 3.864 589 H THR 71 H THR 71 -1.978 19.007 1.752 590 HA THR 71 HA THR 71 -2.080 16.959 3.859 591 HB THR 71 HB THR 71 -3.904 17.783 1.580 592 HG1 THR 71 HG1 THR 71 -4.690 18.082 4.183 593 1HG2 THR 71 1HG2 THR 71 -5.327 16.096 2.086 594 2HG2 THR 71 2HG2 THR 71 -5.044 16.258 3.819 595 3HG2 THR 71 3HG2 THR 71 -3.921 15.329 2.825 596 H ILE 72 H ILE 72 -1.527 17.096 0.362 597 HA ILE 72 HA ILE 72 -1.560 14.140 0.160 598 HB ILE 72 HB ILE 72 -1.126 16.392 -1.827 599 1HG1 ILE 72 1HG1 ILE 72 -3.511 14.581 -1.319 600 2HG1 ILE 72 2HG1 ILE 72 -3.398 16.272 -0.827 601 1HG2 ILE 72 1HG2 ILE 72 -0.593 13.582 -2.033 602 2HG2 ILE 72 2HG2 ILE 72 -0.454 14.817 -3.285 603 3HG2 ILE 72 3HG2 ILE 72 -1.981 13.965 -3.051 604 1HD1 ILE 72 1HD1 ILE 72 -3.484 15.148 -3.630 605 2HD1 ILE 72 2HD1 ILE 72 -2.934 16.791 -3.300 606 3HD1 ILE 72 3HD1 ILE 72 -4.581 16.313 -2.889 607 H THR 73 H THR 73 0.297 12.930 -0.410 608 HA THR 73 HA THR 73 2.917 14.344 -0.545 609 HB THR 73 HB THR 73 2.190 12.132 1.406 610 HG1 THR 73 HG1 THR 73 2.460 14.916 1.586 611 1HG2 THR 73 1HG2 THR 73 4.700 13.663 1.700 612 2HG2 THR 73 2HG2 THR 73 4.639 12.591 0.300 613 3HG2 THR 73 3HG2 THR 73 4.399 11.939 1.921 614 H VAL 74 H VAL 74 4.578 13.003 -1.532 615 HA VAL 74 HA VAL 74 3.714 10.348 -2.567 616 HB VAL 74 HB VAL 74 2.976 11.975 -4.220 617 1HG1 VAL 74 1HG1 VAL 74 5.396 13.309 -3.391 618 2HG1 VAL 74 2HG1 VAL 74 4.066 13.941 -4.361 619 3HG1 VAL 74 3HG1 VAL 74 5.406 13.102 -5.142 620 1HG2 VAL 74 1HG2 VAL 74 4.192 11.171 -6.153 621 2HG2 VAL 74 2HG2 VAL 74 4.110 9.851 -4.987 622 3HG2 VAL 74 3HG2 VAL 74 5.599 10.779 -5.165 623 H SER 75 H SER 75 5.566 9.156 -3.540 624 HA SER 75 HA SER 75 8.255 10.193 -2.746 625 1HB SER 75 1HB SER 75 6.726 8.291 -1.359 626 2HB SER 75 2HB SER 75 7.900 7.341 -2.265 627 HG SER 75 HG SER 75 8.272 8.773 -0.059 628 H THR 76 H THR 76 9.929 8.389 -3.610 629 HA THR 76 HA THR 76 9.152 7.860 -6.452 630 HB THR 76 HB THR 76 11.972 7.756 -5.481 631 HG1 THR 76 HG1 THR 76 12.074 9.839 -5.047 632 1HG2 THR 76 1HG2 THR 76 11.912 9.382 -7.640 633 2HG2 THR 76 2HG2 THR 76 10.442 8.452 -7.925 634 3HG2 THR 76 3HG2 THR 76 11.991 7.625 -7.762 635 H GLY 77 H GLY 77 10.241 5.870 -7.400 636 1HA GLY 77 1HA GLY 77 11.160 3.759 -5.653 637 2HA GLY 77 2HA GLY 77 9.480 3.501 -6.124 638 H PHE 78 H PHE 78 11.029 1.568 -7.014 639 HA PHE 78 HA PHE 78 11.233 2.098 -9.934 640 1HB PHE 78 1HB PHE 78 13.422 2.180 -8.217 641 2HB PHE 78 2HB PHE 78 13.484 0.547 -8.879 642 HD1 PHE 78 HD1 PHE 78 15.155 0.559 -10.531 643 HD2 PHE 78 HD2 PHE 78 12.271 3.741 -10.409 644 HE1 PHE 78 HE1 PHE 78 16.052 1.452 -12.665 645 HE2 PHE 78 HE2 PHE 78 13.167 4.635 -12.544 646 HZ PHE 78 HZ PHE 78 15.057 3.490 -13.671 647 H MET 79 H MET 79 10.531 0.316 -11.093 648 HA MET 79 HA MET 79 10.118 -2.234 -9.562 649 1HB MET 79 1HB MET 79 8.525 -0.705 -11.607 650 2HB MET 79 2HB MET 79 8.288 -2.445 -11.442 651 1HG MET 79 1HG MET 79 8.322 -1.445 -8.812 652 2HG MET 79 2HG MET 79 7.335 -0.309 -9.734 653 1HE MET 79 1HE MET 79 6.397 -4.430 -8.283 654 2HE MET 79 2HE MET 79 7.890 -4.285 -9.210 655 3HE MET 79 3HE MET 79 7.614 -3.249 -7.803 656 H SER 80 H SER 80 10.483 -4.208 -10.760 657 HA SER 80 HA SER 80 12.097 -3.857 -13.268 658 1HB SER 80 1HB SER 80 13.224 -6.011 -12.279 659 2HB SER 80 2HB SER 80 13.651 -4.439 -11.610 660 HG SER 80 HG SER 80 13.106 -5.513 -9.838 661 H ILE 81 H ILE 81 10.502 -4.485 -14.758 662 HA ILE 81 HA ILE 81 8.850 -6.880 -14.244 663 HB ILE 81 HB ILE 81 8.127 -4.673 -15.329 664 1HG1 ILE 81 1HG1 ILE 81 7.655 -7.045 -17.134 665 2HG1 ILE 81 2HG1 ILE 81 6.988 -6.998 -15.501 666 1HG2 ILE 81 1HG2 ILE 81 8.849 -4.109 -17.455 667 2HG2 ILE 81 2HG2 ILE 81 9.214 -5.780 -17.887 668 3HG2 ILE 81 3HG2 ILE 81 10.311 -4.880 -16.839 669 1HD1 ILE 81 1HD1 ILE 81 6.356 -5.238 -17.851 670 2HD1 ILE 81 2HD1 ILE 81 6.148 -4.610 -16.217 671 3HD1 ILE 81 3HD1 ILE 81 5.253 -6.039 -16.733 672 1H MET 1 1H MET 1 14.239 -0.459 3.879 673 2H MET 1 2H MET 1 15.066 0.964 3.459 674 3H MET 1 3H MET 1 15.250 -0.438 2.517 675 HA MET 1 HA MET 1 13.121 1.541 2.494 676 1HB MET 1 1HB MET 1 14.206 -0.510 0.536 677 2HB MET 1 2HB MET 1 13.210 0.889 0.133 678 1HG MET 1 1HG MET 1 14.948 2.414 0.846 679 2HG MET 1 2HG MET 1 15.918 1.084 1.478 680 1HE MET 1 1HE MET 1 14.207 2.651 -1.532 681 2HE MET 1 2HE MET 1 14.873 1.822 -2.937 682 3HE MET 1 3HE MET 1 13.777 0.970 -1.839 683 H THR 2 H THR 2 11.800 -0.349 0.479 684 HA THR 2 HA THR 2 10.545 -2.329 2.320 685 HB THR 2 HB THR 2 8.301 -1.422 1.547 686 HG1 THR 2 HG1 THR 2 8.471 0.796 0.796 687 1HG2 THR 2 1HG2 THR 2 8.232 -0.143 3.419 688 2HG2 THR 2 2HG2 THR 2 9.552 0.891 2.873 689 3HG2 THR 2 3HG2 THR 2 9.904 -0.659 3.638 690 HA PRO 3 HA PRO 3 10.509 -4.402 -1.583 691 1HB PRO 3 1HB PRO 3 9.576 -6.821 -0.728 692 2HB PRO 3 2HB PRO 3 11.231 -6.263 -0.409 693 1HG PRO 3 1HG PRO 3 8.876 -6.324 1.391 694 2HG PRO 3 2HG PRO 3 10.586 -6.597 1.754 695 1HD PRO 3 1HD PRO 3 9.232 -4.263 2.290 696 2HD PRO 3 2HD PRO 3 10.991 -4.388 2.095 697 H ILE 4 H ILE 4 8.938 -5.229 -3.140 698 HA ILE 4 HA ILE 4 6.074 -5.091 -2.326 699 HB ILE 4 HB ILE 4 5.765 -3.653 -4.442 700 1HG1 ILE 4 1HG1 ILE 4 8.724 -3.167 -3.986 701 2HG1 ILE 4 2HG1 ILE 4 8.090 -4.175 -5.288 702 1HG2 ILE 4 1HG2 ILE 4 6.101 -1.644 -3.204 703 2HG2 ILE 4 2HG2 ILE 4 7.417 -2.353 -2.268 704 3HG2 ILE 4 3HG2 ILE 4 5.756 -2.883 -1.997 705 1HD1 ILE 4 1HD1 ILE 4 7.808 -1.206 -4.894 706 2HD1 ILE 4 2HD1 ILE 4 6.615 -2.090 -5.846 707 3HD1 ILE 4 3HD1 ILE 4 8.310 -2.090 -6.335 708 H VAL 5 H VAL 5 4.650 -5.935 -4.127 709 HA VAL 5 HA VAL 5 6.047 -7.681 -6.095 710 HB VAL 5 HB VAL 5 4.212 -8.501 -3.838 711 1HG1 VAL 5 1HG1 VAL 5 4.209 -9.502 -6.543 712 2HG1 VAL 5 2HG1 VAL 5 3.226 -10.021 -5.173 713 3HG1 VAL 5 3HG1 VAL 5 4.808 -10.750 -5.451 714 1HG2 VAL 5 1HG2 VAL 5 6.096 -10.359 -3.876 715 2HG2 VAL 5 2HG2 VAL 5 6.415 -8.788 -3.140 716 3HG2 VAL 5 3HG2 VAL 5 6.994 -9.131 -4.770 717 H HIS 6 H HIS 6 5.024 -7.368 -8.034 718 HA HIS 6 HA HIS 6 2.208 -6.365 -8.011 719 1HB HIS 6 1HB HIS 6 4.658 -5.853 -9.508 720 2HB HIS 6 2HB HIS 6 3.295 -6.171 -10.582 721 HD1 HIS 6 HD1 HIS 6 3.056 -3.682 -11.278 722 HD2 HIS 6 HD2 HIS 6 2.657 -4.318 -7.178 723 HE1 HIS 6 HE1 HIS 6 2.133 -1.532 -10.306 724 H LEU 7 H LEU 7 0.788 -8.066 -8.237 725 HA LEU 7 HA LEU 7 1.514 -10.264 -10.144 726 1HB LEU 7 1HB LEU 7 1.210 -10.888 -7.772 727 2HB LEU 7 2HB LEU 7 -0.403 -10.173 -7.790 728 HG LEU 7 HG LEU 7 -0.518 -11.849 -9.959 729 1HD1 LEU 7 1HD1 LEU 7 1.600 -12.783 -8.139 730 2HD1 LEU 7 2HD1 LEU 7 1.262 -13.252 -9.805 731 3HD1 LEU 7 3HD1 LEU 7 0.366 -13.996 -8.481 732 1HD2 LEU 7 1HD2 LEU 7 -2.031 -11.497 -7.863 733 2HD2 LEU 7 2HD2 LEU 7 -1.132 -12.855 -7.184 734 3HD2 LEU 7 3HD2 LEU 7 -2.064 -13.067 -8.667 735 H LYS 8 H LYS 8 -0.101 -10.922 -11.666 736 HA LYS 8 HA LYS 8 -2.577 -9.257 -11.819 737 1HB LYS 8 1HB LYS 8 -0.776 -8.207 -13.159 738 2HB LYS 8 2HB LYS 8 -0.554 -9.720 -14.038 739 1HG LYS 8 1HG LYS 8 -2.642 -9.550 -15.109 740 2HG LYS 8 2HG LYS 8 -3.258 -8.397 -13.924 741 1HD LYS 8 1HD LYS 8 -2.730 -6.841 -15.497 742 2HD LYS 8 2HD LYS 8 -1.086 -7.046 -14.893 743 1HE LYS 8 1HE LYS 8 -0.558 -7.607 -17.041 744 2HE LYS 8 2HE LYS 8 -1.364 -9.151 -16.697 745 1HZ LYS 8 1HZ LYS 8 -3.291 -8.480 -17.676 746 2HZ LYS 8 2HZ LYS 8 -2.205 -7.577 -18.618 747 3HZ LYS 8 3HZ LYS 8 -3.040 -6.837 -17.336 748 H GLY 9 H GLY 9 -4.065 -10.197 -13.572 749 1HA GLY 9 1HA GLY 9 -3.995 -12.535 -14.923 750 2HA GLY 9 2HA GLY 9 -4.118 -13.130 -13.268 751 H ASP 10 H ASP 10 -6.202 -13.903 -14.636 752 HA ASP 10 HA ASP 10 -8.354 -12.048 -15.027 753 1HB ASP 10 1HB ASP 10 -8.306 -15.024 -14.423 754 2HB ASP 10 2HB ASP 10 -9.693 -14.148 -15.071 755 H ALA 11 H ALA 11 -9.876 -11.267 -13.586 756 HA ALA 11 HA ALA 11 -9.434 -11.068 -10.831 757 1HB ALA 11 1HB ALA 11 -11.505 -10.535 -12.775 758 2HB ALA 11 2HB ALA 11 -12.232 -11.086 -11.264 759 3HB ALA 11 3HB ALA 11 -11.162 -9.683 -11.269 760 H ASN 12 H ASN 12 -11.055 -13.662 -12.609 761 HA ASN 12 HA ASN 12 -12.223 -14.970 -10.312 762 1HB ASN 12 1HB ASN 12 -13.099 -15.376 -12.494 763 2HB ASN 12 2HB ASN 12 -11.506 -15.772 -13.137 764 1HD2 ASN 12 1HD2 ASN 12 -10.547 -17.866 -12.481 765 2HD2 ASN 12 2HD2 ASN 12 -11.536 -19.116 -11.895 766 H THR 13 H THR 13 -9.358 -15.842 -12.295 767 HA THR 13 HA THR 13 -8.448 -17.998 -10.699 768 HB THR 13 HB THR 13 -6.683 -16.015 -12.147 769 HG1 THR 13 HG1 THR 13 -7.277 -17.182 -14.033 770 1HG2 THR 13 1HG2 THR 13 -5.154 -17.672 -12.094 771 2HG2 THR 13 2HG2 THR 13 -6.334 -18.869 -12.626 772 3HG2 THR 13 3HG2 THR 13 -6.199 -18.464 -10.915 773 H LEU 14 H LEU 14 -8.318 -14.575 -10.110 774 HA LEU 14 HA LEU 14 -6.183 -14.798 -8.074 775 1HB LEU 14 1HB LEU 14 -7.965 -12.506 -8.959 776 2HB LEU 14 2HB LEU 14 -6.502 -12.358 -7.982 777 HG LEU 14 HG LEU 14 -6.431 -13.688 -10.687 778 1HD1 LEU 14 1HD1 LEU 14 -6.909 -11.712 -11.662 779 2HD1 LEU 14 2HD1 LEU 14 -5.404 -11.097 -10.976 780 3HD1 LEU 14 3HD1 LEU 14 -6.924 -10.881 -10.106 781 1HD2 LEU 14 1HD2 LEU 14 -4.270 -12.058 -9.372 782 2HD2 LEU 14 2HD2 LEU 14 -4.113 -13.388 -10.519 783 3HD2 LEU 14 3HD2 LEU 14 -4.560 -13.715 -8.845 784 H LYS 15 H LYS 15 -9.670 -14.692 -8.282 785 HA LYS 15 HA LYS 15 -10.363 -13.813 -5.672 786 1HB LYS 15 1HB LYS 15 -11.554 -15.693 -7.711 787 2HB LYS 15 2HB LYS 15 -12.374 -15.391 -6.179 788 1HG LYS 15 1HG LYS 15 -11.414 -12.982 -7.607 789 2HG LYS 15 2HG LYS 15 -12.730 -13.855 -8.393 790 1HD LYS 15 1HD LYS 15 -13.738 -13.873 -5.936 791 2HD LYS 15 2HD LYS 15 -12.697 -12.461 -5.743 792 1HE LYS 15 1HE LYS 15 -14.472 -11.322 -6.639 793 2HE LYS 15 2HE LYS 15 -13.876 -11.958 -8.185 794 1HZ LYS 15 1HZ LYS 15 -15.835 -13.278 -6.380 795 2HZ LYS 15 2HZ LYS 15 -15.204 -13.966 -7.801 796 3HZ LYS 15 3HZ LYS 15 -16.181 -12.578 -7.886 797 H CYS 16 H CYS 16 -9.587 -17.079 -6.863 798 HA CYS 16 HA CYS 16 -10.036 -18.428 -4.349 799 1HB CYS 16 1HB CYS 16 -10.073 -19.600 -6.465 800 2HB CYS 16 2HB CYS 16 -8.439 -19.059 -6.849 801 HG CYS 16 HG CYS 16 -7.910 -21.304 -5.843 802 H LEU 17 H LEU 17 -7.193 -16.919 -5.848 803 HA LEU 17 HA LEU 17 -5.170 -17.916 -4.122 804 1HB LEU 17 1HB LEU 17 -5.633 -15.671 -5.978 805 2HB LEU 17 2HB LEU 17 -4.410 -15.345 -4.749 806 HG LEU 17 HG LEU 17 -3.224 -17.411 -5.359 807 1HD1 LEU 17 1HD1 LEU 17 -4.510 -19.037 -6.269 808 2HD1 LEU 17 2HD1 LEU 17 -4.303 -18.177 -7.796 809 3HD1 LEU 17 3HD1 LEU 17 -5.731 -17.880 -6.803 810 1HD2 LEU 17 1HD2 LEU 17 -3.903 -15.662 -7.746 811 2HD2 LEU 17 2HD2 LEU 17 -2.502 -16.725 -7.632 812 3HD2 LEU 17 3HD2 LEU 17 -2.646 -15.337 -6.553 813 H ARG 18 H ARG 18 -6.987 -14.828 -3.848 814 HA ARG 18 HA ARG 18 -5.984 -13.794 -1.494 815 1HB ARG 18 1HB ARG 18 -7.829 -12.955 -3.033 816 2HB ARG 18 2HB ARG 18 -8.933 -14.012 -2.152 817 1HG ARG 18 1HG ARG 18 -8.148 -12.857 -0.021 818 2HG ARG 18 2HG ARG 18 -7.346 -11.678 -1.059 819 1HD ARG 18 1HD ARG 18 -9.726 -11.067 -0.285 820 2HD ARG 18 2HD ARG 18 -9.439 -10.983 -2.035 821 HE ARG 18 HE ARG 18 -10.612 -13.092 -2.292 822 1HH1 ARG 18 1HH2 ARG 18 -11.528 -11.282 0.347 823 2HH1 ARG 18 2HH2 ARG 18 -12.301 -12.573 1.203 824 1HH2 ARG 18 1HH1 ARG 18 -11.144 -15.042 -0.940 825 2HH2 ARG 18 2HH1 ARG 18 -12.082 -14.702 0.476 826 H TYR 19 H TYR 19 -7.888 -16.722 -1.826 827 HA TYR 19 HA TYR 19 -8.851 -16.934 0.867 828 1HB TYR 19 1HB TYR 19 -9.681 -18.289 -0.993 829 2HB TYR 19 2HB TYR 19 -8.086 -19.009 -1.215 830 HD1 TYR 19 HD1 TYR 19 -10.801 -18.585 1.323 831 HD2 TYR 19 HD2 TYR 19 -7.481 -20.951 -0.032 832 HE1 TYR 19 HE1 TYR 19 -11.340 -20.313 3.021 833 HE2 TYR 19 HE2 TYR 19 -8.020 -22.679 1.663 834 HH TYR 19 HH TYR 19 -9.255 -22.658 3.978 835 H ARG 20 H ARG 20 -5.855 -18.096 -0.691 836 HA ARG 20 HA ARG 20 -4.759 -19.454 1.569 837 1HB ARG 20 1HB ARG 20 -3.483 -17.992 -0.768 838 2HB ARG 20 2HB ARG 20 -2.631 -19.122 0.285 839 1HG ARG 20 1HG ARG 20 -4.054 -20.946 -0.393 840 2HG ARG 20 2HG ARG 20 -5.129 -19.852 -1.265 841 1HD ARG 20 1HD ARG 20 -3.867 -20.403 -3.090 842 2HD ARG 20 2HD ARG 20 -2.665 -19.293 -2.401 843 HE ARG 20 HE ARG 20 -1.375 -21.189 -1.860 844 1HH1 ARG 20 1HH2 ARG 20 -4.599 -22.070 -2.625 845 2HH1 ARG 20 2HH2 ARG 20 -4.428 -23.709 -2.091 846 1HH2 ARG 20 1HH1 ARG 20 -1.188 -23.273 -0.934 847 2HH2 ARG 20 2HH1 ARG 20 -2.497 -24.391 -1.134 848 H PHE 21 H PHE 21 -4.899 -16.050 0.707 849 HA PHE 21 HA PHE 21 -2.823 -15.086 2.446 850 1HB PHE 21 1HB PHE 21 -5.365 -13.839 1.353 851 2HB PHE 21 2HB PHE 21 -4.062 -12.927 2.114 852 HD1 PHE 21 HD1 PHE 21 -2.482 -15.607 0.570 853 HD2 PHE 21 HD2 PHE 21 -4.474 -11.926 -0.408 854 HE1 PHE 21 HE1 PHE 21 -1.274 -15.527 -1.594 855 HE2 PHE 21 HE2 PHE 21 -3.264 -11.847 -2.571 856 HZ PHE 21 HZ PHE 21 -1.665 -13.647 -3.164 857 H LYS 22 H LYS 22 -5.993 -16.310 3.080 858 HA LYS 22 HA LYS 22 -6.663 -14.857 5.455 859 1HB LYS 22 1HB LYS 22 -7.256 -17.696 4.550 860 2HB LYS 22 2HB LYS 22 -8.112 -16.860 5.847 861 1HG LYS 22 1HG LYS 22 -7.909 -15.733 3.048 862 2HG LYS 22 2HG LYS 22 -9.232 -16.785 3.554 863 1HD LYS 22 1HD LYS 22 -10.198 -15.170 4.839 864 2HD LYS 22 2HD LYS 22 -8.644 -14.543 5.391 865 1HE LYS 22 1HE LYS 22 -8.314 -13.453 3.174 866 2HE LYS 22 2HE LYS 22 -9.921 -14.022 2.682 867 1HZ LYS 22 1HZ LYS 22 -9.569 -11.707 3.902 868 2HZ LYS 22 2HZ LYS 22 -9.712 -12.698 5.274 869 3HZ LYS 22 3HZ LYS 22 -10.964 -12.644 4.128 870 H LYS 23 H LYS 23 -5.181 -18.110 5.132 871 HA LYS 23 HA LYS 23 -4.453 -18.229 7.948 872 1HB LYS 23 1HB LYS 23 -4.316 -19.856 5.497 873 2HB LYS 23 2HB LYS 23 -2.959 -20.119 6.594 874 1HG LYS 23 1HG LYS 23 -4.890 -21.632 7.074 875 2HG LYS 23 2HG LYS 23 -4.487 -20.588 8.437 876 1HD LYS 23 1HD LYS 23 -6.526 -19.633 8.390 877 2HD LYS 23 2HD LYS 23 -6.363 -19.264 6.672 878 1HE LYS 23 1HE LYS 23 -6.761 -22.041 6.750 879 2HE LYS 23 2HE LYS 23 -7.905 -21.382 7.937 880 1HZ LYS 23 1HZ LYS 23 -7.509 -20.204 5.243 881 2HZ LYS 23 2HZ LYS 23 -8.744 -19.858 6.356 882 3HZ LYS 23 3HZ LYS 23 -8.703 -21.363 5.569 883 H HIS 24 H HIS 24 -2.944 -17.072 5.015 884 HA HIS 24 HA HIS 24 -0.267 -16.900 6.293 885 1HB HIS 24 1HB HIS 24 -1.226 -16.065 3.537 886 2HB HIS 24 2HB HIS 24 0.443 -16.338 4.037 887 HD1 HIS 24 HD1 HIS 24 -0.826 -17.984 1.719 888 HD2 HIS 24 HD2 HIS 24 -0.705 -19.247 5.690 889 HE1 HIS 24 HE1 HIS 24 -1.027 -20.509 1.674 890 H CYS 25 H CYS 25 -2.534 -15.236 7.277 891 HA CYS 25 HA CYS 25 -2.499 -12.571 6.321 892 1HB CYS 25 1HB CYS 25 -3.297 -12.072 8.640 893 2HB CYS 25 2HB CYS 25 -4.107 -13.470 7.935 894 HG CYS 25 HG CYS 25 -3.275 -14.760 9.870 895 H THR 26 H THR 26 -0.120 -14.322 8.194 896 HA THR 26 HA THR 26 1.310 -11.816 8.920 897 HB THR 26 HB THR 26 1.037 -13.476 10.653 898 HG1 THR 26 HG1 THR 26 3.243 -12.507 10.084 899 1HG2 THR 26 1HG2 THR 26 0.601 -15.526 9.704 900 2HG2 THR 26 2HG2 THR 26 2.306 -15.760 10.087 901 3HG2 THR 26 3HG2 THR 26 1.823 -15.323 8.448 902 H LEU 27 H LEU 27 1.132 -13.395 6.140 903 HA LEU 27 HA LEU 27 4.025 -13.838 5.668 904 1HB LEU 27 1HB LEU 27 1.423 -14.504 4.415 905 2HB LEU 27 2HB LEU 27 2.756 -14.243 3.290 906 HG LEU 27 HG LEU 27 4.100 -15.793 4.909 907 1HD1 LEU 27 1HD1 LEU 27 2.928 -17.128 6.384 908 2HD1 LEU 27 2HD1 LEU 27 1.439 -17.042 5.444 909 3HD1 LEU 27 3HD1 LEU 27 1.923 -15.681 6.454 910 1HD2 LEU 27 1HD2 LEU 27 2.860 -17.824 3.748 911 2HD2 LEU 27 2HD2 LEU 27 3.773 -16.669 2.777 912 3HD2 LEU 27 3HD2 LEU 27 2.018 -16.540 2.881 913 H TYR 28 H TYR 28 1.517 -11.464 4.989 914 HA TYR 28 HA TYR 28 3.496 -9.907 3.356 915 1HB TYR 28 1HB TYR 28 1.377 -8.889 2.394 916 2HB TYR 28 2HB TYR 28 1.585 -10.606 2.049 917 HD1 TYR 28 HD1 TYR 28 0.158 -12.282 3.068 918 HD2 TYR 28 HD2 TYR 28 -0.250 -8.128 4.086 919 HE1 TYR 28 HE1 TYR 28 -2.004 -12.767 4.181 920 HE2 TYR 28 HE2 TYR 28 -2.413 -8.614 5.200 921 HH TYR 28 HH TYR 28 -4.103 -11.473 4.760 922 H THR 29 H THR 29 3.117 -7.466 3.582 923 HA THR 29 HA THR 29 2.673 -6.820 6.456 924 HB THR 29 HB THR 29 3.806 -5.039 4.296 925 HG1 THR 29 HG1 THR 29 4.907 -7.282 5.556 926 1HG2 THR 29 1HG2 THR 29 5.247 -4.713 6.617 927 2HG2 THR 29 2HG2 THR 29 3.631 -5.064 7.231 928 3HG2 THR 29 3HG2 THR 29 3.881 -3.709 6.131 929 H ALA 30 H ALA 30 1.550 -5.978 3.195 930 HA ALA 30 HA ALA 30 -0.930 -4.861 4.328 931 1HB ALA 30 1HB ALA 30 0.614 -3.026 2.540 932 2HB ALA 30 2HB ALA 30 -0.511 -2.634 3.841 933 3HB ALA 30 3HB ALA 30 1.129 -3.163 4.222 934 H VAL 31 H VAL 31 -2.426 -5.805 2.981 935 HA VAL 31 HA VAL 31 -1.725 -6.400 0.166 936 HB VAL 31 HB VAL 31 -2.876 -8.027 1.667 937 1HG1 VAL 31 1HG1 VAL 31 -4.808 -7.538 2.780 938 2HG1 VAL 31 2HG1 VAL 31 -5.449 -6.581 1.446 939 3HG1 VAL 31 3HG1 VAL 31 -4.282 -5.869 2.560 940 1HG2 VAL 31 1HG2 VAL 31 -4.418 -7.000 -0.733 941 2HG2 VAL 31 2HG2 VAL 31 -4.784 -8.523 0.077 942 3HG2 VAL 31 3HG2 VAL 31 -3.222 -8.296 -0.707 943 H SER 32 H SER 32 -2.369 -5.093 -1.509 944 HA SER 32 HA SER 32 -3.969 -2.685 -0.918 945 1HB SER 32 1HB SER 32 -2.145 -2.234 -2.296 946 2HB SER 32 2HB SER 32 -2.277 -3.772 -3.143 947 HG SER 32 HG SER 32 -2.996 -1.766 -4.264 948 H SER 33 H SER 33 -5.992 -2.228 -1.910 949 HA SER 33 HA SER 33 -7.800 -4.390 -2.322 950 1HB SER 33 1HB SER 33 -9.335 -2.667 -2.633 951 2HB SER 33 2HB SER 33 -8.040 -1.796 -1.818 952 HG SER 33 HG SER 33 -7.330 -1.055 -3.792 953 H THR 34 H THR 34 -9.013 -4.766 -4.420 954 HA THR 34 HA THR 34 -7.209 -5.491 -6.545 955 HB THR 34 HB THR 34 -9.913 -5.347 -7.444 956 HG1 THR 34 HG1 THR 34 -11.037 -6.066 -5.736 957 1HG2 THR 34 1HG2 THR 34 -8.732 -7.784 -6.161 958 2HG2 THR 34 2HG2 THR 34 -7.984 -7.132 -7.618 959 3HG2 THR 34 3HG2 THR 34 -9.671 -7.650 -7.647 960 H TRP 35 H TRP 35 -6.346 -4.097 -8.028 961 HA TRP 35 HA TRP 35 -8.053 -1.928 -9.137 962 1HB TRP 35 1HB TRP 35 -6.468 -0.232 -8.575 963 2HB TRP 35 2HB TRP 35 -6.658 -1.188 -7.107 964 HD1 TRP 35 HD1 TRP 35 -4.633 -2.660 -6.314 965 HE1 TRP 35 HE1 TRP 35 -2.151 -2.749 -7.006 966 HE3 TRP 35 HE3 TRP 35 -4.826 0.041 -10.645 967 HZ2 TRP 35 HZ2 TRP 35 -0.471 -1.799 -9.118 968 HZ3 TRP 35 HZ3 TRP 35 -2.771 0.433 -11.976 969 HH2 TRP 35 HH2 TRP 35 -0.596 -0.485 -11.217 970 H HIS 36 H HIS 36 -6.699 -0.829 -11.011 971 HA HIS 36 HA HIS 36 -4.650 -2.537 -12.239 972 1HB HIS 36 1HB HIS 36 -6.097 -3.090 -14.189 973 2HB HIS 36 2HB HIS 36 -6.725 -3.769 -12.689 974 HD1 HIS 36 HD1 HIS 36 -9.019 -3.016 -11.939 975 HD2 HIS 36 HD2 HIS 36 -7.526 -0.685 -15.054 976 HE1 HIS 36 HE1 HIS 36 -10.912 -1.501 -12.670 977 H TRP 37 H TRP 37 -4.181 -1.668 -14.534 978 HA TRP 37 HA TRP 37 -3.908 1.243 -14.387 979 1HB TRP 37 1HB TRP 37 -3.187 -0.863 -16.449 980 2HB TRP 37 2HB TRP 37 -2.708 0.830 -16.565 981 HD1 TRP 37 HD1 TRP 37 -1.561 -2.382 -15.227 982 HE1 TRP 37 HE1 TRP 37 0.386 -2.051 -13.570 983 HE3 TRP 37 HE3 TRP 37 -1.877 2.664 -14.486 984 HZ2 TRP 37 HZ2 TRP 37 1.644 0.071 -12.121 985 HZ3 TRP 37 HZ3 TRP 37 -0.293 3.813 -12.964 986 HH2 TRP 37 HH2 TRP 37 1.465 2.523 -11.782 987 H THR 38 H THR 38 -5.410 2.657 -15.189 988 HA THR 38 HA THR 38 -6.840 2.108 -17.689 989 HB THR 38 HB THR 38 -8.102 0.772 -16.056 990 HG1 THR 38 HG1 THR 38 -9.659 3.072 -16.397 991 1HG2 THR 38 1HG2 THR 38 -9.349 2.363 -14.305 992 2HG2 THR 38 2HG2 THR 38 -7.866 3.298 -14.490 993 3HG2 THR 38 3HG2 THR 38 -7.791 1.624 -13.941 994 H GLY 39 H GLY 39 -8.275 3.991 -18.251 995 1HA GLY 39 1HA GLY 39 -7.571 6.463 -16.730 996 2HA GLY 39 2HA GLY 39 -7.420 6.423 -18.488 997 H HIS 40 H HIS 40 -9.537 5.624 -19.610 998 HA HIS 40 HA HIS 40 -12.040 6.182 -18.200 999 1HB HIS 40 1HB HIS 40 -10.864 8.413 -18.672 1000 2HB HIS 40 2HB HIS 40 -11.165 8.090 -20.380 1001 HD1 HIS 40 HD1 HIS 40 -13.694 6.998 -17.858 1002 HD2 HIS 40 HD2 HIS 40 -13.126 10.188 -20.480 1003 HE1 HIS 40 HE1 HIS 40 -15.898 8.243 -17.959 1004 H ASN 41 H ASN 41 -10.546 6.182 -21.464 1005 HA ASN 41 HA ASN 41 -12.787 4.394 -22.358 1006 1HB ASN 41 1HB ASN 41 -12.031 6.981 -23.196 1007 2HB ASN 41 2HB ASN 41 -11.502 5.892 -24.479 1008 1HD2 ASN 41 1HD2 ASN 41 -14.400 6.414 -22.383 1009 2HD2 ASN 41 2HD2 ASN 41 -15.525 6.049 -23.600 1010 H VAL 42 H VAL 42 -10.823 2.921 -21.426 1011 HA VAL 42 HA VAL 42 -9.211 2.133 -23.828 1012 HB VAL 42 HB VAL 42 -7.377 1.646 -22.156 1013 1HG1 VAL 42 1HG1 VAL 42 -8.417 4.274 -22.967 1014 2HG1 VAL 42 2HG1 VAL 42 -6.777 3.632 -23.076 1015 3HG1 VAL 42 3HG1 VAL 42 -7.350 4.339 -21.564 1016 1HG2 VAL 42 1HG2 VAL 42 -7.610 2.755 -19.931 1017 2HG2 VAL 42 2HG2 VAL 42 -8.778 1.452 -20.155 1018 3HG2 VAL 42 3HG2 VAL 42 -9.288 3.131 -20.323 1019 H LYS 43 H LYS 43 -8.717 -0.167 -23.893 1020 HA LYS 43 HA LYS 43 -10.788 -1.932 -23.161 1021 1HB LYS 43 1HB LYS 43 -9.248 -3.630 -23.869 1022 2HB LYS 43 2HB LYS 43 -8.843 -2.191 -24.805 1023 1HG LYS 43 1HG LYS 43 -7.184 -1.676 -22.863 1024 2HG LYS 43 2HG LYS 43 -7.378 -3.383 -22.460 1025 1HD LYS 43 1HD LYS 43 -6.263 -4.092 -24.329 1026 2HD LYS 43 2HD LYS 43 -6.876 -2.769 -25.321 1027 1HE LYS 43 1HE LYS 43 -4.700 -2.024 -25.118 1028 2HE LYS 43 2HE LYS 43 -5.310 -1.371 -23.585 1029 1HZ LYS 43 1HZ LYS 43 -3.895 -3.930 -24.051 1030 2HZ LYS 43 2HZ LYS 43 -4.818 -3.661 -22.650 1031 3HZ LYS 43 3HZ LYS 43 -3.473 -2.678 -22.987 1032 H HIS 44 H HIS 44 -11.323 -2.907 -21.236 1033 HA HIS 44 HA HIS 44 -10.172 -2.189 -18.746 1034 1HB HIS 44 1HB HIS 44 -11.675 -4.707 -19.539 1035 2HB HIS 44 2HB HIS 44 -11.546 -4.052 -17.907 1036 HD1 HIS 44 HD1 HIS 44 -13.268 -3.521 -21.184 1037 HD2 HIS 44 HD2 HIS 44 -13.088 -1.678 -17.449 1038 HE1 HIS 44 HE1 HIS 44 -15.157 -1.836 -21.124 1039 H LYS 45 H LYS 45 -8.606 -3.208 -17.434 1040 HA LYS 45 HA LYS 45 -6.906 -5.244 -18.824 1041 1HB LYS 45 1HB LYS 45 -6.305 -2.794 -17.774 1042 2HB LYS 45 2HB LYS 45 -5.944 -3.840 -16.400 1043 1HG LYS 45 1HG LYS 45 -3.926 -3.677 -17.699 1044 2HG LYS 45 2HG LYS 45 -4.593 -5.284 -17.989 1045 1HD LYS 45 1HD LYS 45 -5.725 -4.346 -20.044 1046 2HD LYS 45 2HD LYS 45 -4.803 -2.862 -19.795 1047 1HE LYS 45 1HE LYS 45 -3.265 -5.425 -19.788 1048 2HE LYS 45 2HE LYS 45 -3.859 -4.830 -21.352 1049 1HZ LYS 45 1HZ LYS 45 -2.112 -3.453 -19.406 1050 2HZ LYS 45 2HZ LYS 45 -3.009 -2.576 -20.551 1051 3HZ LYS 45 3HZ LYS 45 -1.850 -3.710 -21.061 1052 H SER 46 H SER 46 -5.668 -6.612 -17.025 1053 HA SER 46 HA SER 46 -7.746 -8.022 -15.491 1054 1HB SER 46 1HB SER 46 -4.755 -8.484 -15.688 1055 2HB SER 46 2HB SER 46 -5.972 -9.657 -15.191 1056 HG SER 46 HG SER 46 -5.385 -9.913 -17.385 1057 H ALA 47 H ALA 47 -8.253 -7.283 -13.474 1058 HA ALA 47 HA ALA 47 -7.197 -5.358 -11.880 1059 1HB ALA 47 1HB ALA 47 -9.010 -6.351 -10.897 1060 2HB ALA 47 2HB ALA 47 -8.534 -7.965 -11.427 1061 3HB ALA 47 3HB ALA 47 -7.781 -7.245 -10.003 1062 H ILE 48 H ILE 48 -5.559 -5.206 -10.245 1063 HA ILE 48 HA ILE 48 -3.549 -7.415 -10.140 1064 HB ILE 48 HB ILE 48 -2.923 -4.486 -10.622 1065 1HG1 ILE 48 1HG1 ILE 48 -2.861 -6.777 -12.609 1066 2HG1 ILE 48 2HG1 ILE 48 -4.147 -5.572 -12.531 1067 1HG2 ILE 48 1HG2 ILE 48 -1.310 -6.437 -9.604 1068 2HG2 ILE 48 2HG2 ILE 48 -0.722 -5.075 -10.558 1069 3HG2 ILE 48 3HG2 ILE 48 -1.015 -6.631 -11.333 1070 1HD1 ILE 48 1HD1 ILE 48 -1.720 -4.124 -12.536 1071 2HD1 ILE 48 2HD1 ILE 48 -2.902 -4.230 -13.840 1072 3HD1 ILE 48 3HD1 ILE 48 -1.552 -5.363 -13.780 1073 H VAL 49 H VAL 49 -2.919 -7.749 -8.037 1074 HA VAL 49 HA VAL 49 -3.454 -5.562 -6.053 1075 HB VAL 49 HB VAL 49 -3.315 -8.540 -5.534 1076 1HG1 VAL 49 1HG1 VAL 49 -3.768 -6.154 -3.957 1077 2HG1 VAL 49 2HG1 VAL 49 -3.594 -7.824 -3.415 1078 3HG1 VAL 49 3HG1 VAL 49 -5.178 -7.211 -3.886 1079 1HG2 VAL 49 1HG2 VAL 49 -5.026 -8.204 -7.237 1080 2HG2 VAL 49 2HG2 VAL 49 -5.701 -6.846 -6.338 1081 3HG2 VAL 49 3HG2 VAL 49 -5.819 -8.480 -5.686 1082 H THR 50 H THR 50 -1.633 -4.764 -5.091 1083 HA THR 50 HA THR 50 0.942 -6.196 -5.446 1084 HB THR 50 HB THR 50 0.213 -3.461 -4.342 1085 HG1 THR 50 HG1 THR 50 1.084 -2.858 -6.448 1086 1HG2 THR 50 1HG2 THR 50 2.708 -3.101 -5.051 1087 2HG2 THR 50 2HG2 THR 50 2.816 -4.855 -4.896 1088 3HG2 THR 50 3HG2 THR 50 2.355 -3.873 -3.505 1089 H LEU 51 H LEU 51 2.358 -6.544 -3.568 1090 HA LEU 51 HA LEU 51 0.936 -6.583 -0.932 1091 1HB LEU 51 1HB LEU 51 2.452 -8.768 -2.381 1092 2HB LEU 51 2HB LEU 51 2.103 -8.849 -0.654 1093 HG LEU 51 HG LEU 51 -0.166 -8.216 -2.485 1094 1HD1 LEU 51 1HD1 LEU 51 1.254 -10.183 -3.429 1095 2HD1 LEU 51 2HD1 LEU 51 -0.479 -10.432 -3.217 1096 3HD1 LEU 51 3HD1 LEU 51 0.656 -11.079 -2.032 1097 1HD2 LEU 51 1HD2 LEU 51 -1.395 -8.866 -0.683 1098 2HD2 LEU 51 2HD2 LEU 51 0.118 -8.692 0.209 1099 3HD2 LEU 51 3HD2 LEU 51 -0.378 -10.276 -0.386 1100 H THR 52 H THR 52 2.184 -5.634 0.632 1101 HA THR 52 HA THR 52 5.042 -5.058 0.031 1102 HB THR 52 HB THR 52 4.713 -3.540 2.040 1103 HG1 THR 52 HG1 THR 52 2.939 -3.723 3.129 1104 1HG2 THR 52 1HG2 THR 52 4.451 -2.389 0.040 1105 2HG2 THR 52 2HG2 THR 52 2.858 -2.162 0.762 1106 3HG2 THR 52 3HG2 THR 52 3.097 -3.393 -0.478 1107 H TYR 53 H TYR 53 6.671 -6.133 1.110 1108 HA TYR 53 HA TYR 53 5.878 -7.924 3.381 1109 1HB TYR 53 1HB TYR 53 8.190 -8.069 1.417 1110 2HB TYR 53 2HB TYR 53 7.801 -9.282 2.637 1111 HD1 TYR 53 HD1 TYR 53 6.451 -7.546 -0.379 1112 HD2 TYR 53 HD2 TYR 53 6.176 -10.954 2.223 1113 HE1 TYR 53 HE1 TYR 53 4.852 -8.612 -1.945 1114 HE2 TYR 53 HE2 TYR 53 4.576 -12.022 0.655 1115 HH TYR 53 HH TYR 53 4.225 -11.466 -2.274 1116 H ASP 54 H ASP 54 7.263 -7.949 5.236 1117 HA ASP 54 HA ASP 54 8.581 -5.430 5.848 1118 1HB ASP 54 1HB ASP 54 8.027 -8.063 7.173 1119 2HB ASP 54 2HB ASP 54 9.214 -6.986 7.909 1120 H SER 55 H SER 55 9.589 -8.196 4.180 1121 HA SER 55 HA SER 55 12.347 -7.292 4.050 1122 1HB SER 55 1HB SER 55 13.359 -8.970 5.394 1123 2HB SER 55 2HB SER 55 11.987 -8.418 6.351 1124 HG SER 55 HG SER 55 12.433 -10.835 5.796 1125 H GLU 56 H GLU 56 13.596 -8.626 2.539 1126 HA GLU 56 HA GLU 56 12.068 -9.705 0.367 1127 1HB GLU 56 1HB GLU 56 14.963 -9.760 1.228 1128 2HB GLU 56 2HB GLU 56 14.438 -10.548 -0.260 1129 1HG GLU 56 1HG GLU 56 13.760 -7.666 0.349 1130 2HG GLU 56 2HG GLU 56 15.250 -8.123 -0.477 1131 H TRP 57 H TRP 57 13.781 -11.241 3.081 1132 HA TRP 57 HA TRP 57 13.673 -13.942 2.301 1133 1HB TRP 57 1HB TRP 57 14.543 -12.572 4.432 1134 2HB TRP 57 2HB TRP 57 13.035 -13.176 5.118 1135 HD1 TRP 57 HD1 TRP 57 12.965 -15.627 5.870 1136 HE1 TRP 57 HE1 TRP 57 14.607 -17.610 5.754 1137 HE3 TRP 57 HE3 TRP 57 16.542 -13.628 2.824 1138 HZ2 TRP 57 HZ2 TRP 57 17.110 -18.263 4.528 1139 HZ3 TRP 57 HZ3 TRP 57 18.544 -14.950 2.197 1140 HH2 TRP 57 HH2 TRP 57 18.831 -17.263 3.044 1141 H GLN 58 H GLN 58 11.229 -12.182 4.259 1142 HA GLN 58 HA GLN 58 9.322 -14.268 4.427 1143 1HB GLN 58 1HB GLN 58 9.275 -12.200 5.741 1144 2HB GLN 58 2HB GLN 58 8.987 -11.254 4.279 1145 1HG GLN 58 1HG GLN 58 6.868 -12.519 3.919 1146 2HG GLN 58 2HG GLN 58 7.142 -13.356 5.448 1147 1HE2 GLN 58 1HE2 GLN 58 5.209 -12.376 6.413 1148 2HE2 GLN 58 2HE2 GLN 58 5.187 -10.737 6.856 1149 H ARG 59 H ARG 59 9.869 -11.875 1.856 1150 HA ARG 59 HA ARG 59 7.504 -12.301 0.337 1151 1HB ARG 59 1HB ARG 59 9.160 -10.501 -0.008 1152 2HB ARG 59 2HB ARG 59 10.349 -11.693 -0.536 1153 1HG ARG 59 1HG ARG 59 8.347 -12.345 -2.205 1154 2HG ARG 59 2HG ARG 59 7.956 -10.641 -1.965 1155 1HD ARG 59 1HD ARG 59 10.179 -9.966 -2.693 1156 2HD ARG 59 2HD ARG 59 10.696 -11.661 -2.795 1157 HE ARG 59 HE ARG 59 8.297 -11.243 -4.340 1158 1HH1 ARG 59 1HH2 ARG 59 11.552 -11.985 -4.491 1159 2HH1 ARG 59 2HH2 ARG 59 11.791 -11.433 -6.115 1160 1HH2 ARG 59 1HH1 ARG 59 8.654 -9.972 -6.360 1161 2HH2 ARG 59 2HH1 ARG 59 10.149 -10.291 -7.173 1162 H ASP 60 H ASP 60 10.640 -14.005 0.251 1163 HA ASP 60 HA ASP 60 10.073 -15.752 -1.930 1164 1HB ASP 60 1HB ASP 60 12.044 -15.332 0.127 1165 2HB ASP 60 2HB ASP 60 11.710 -17.059 -0.009 1166 H GLN 61 H GLN 61 9.299 -15.987 1.527 1167 HA GLN 61 HA GLN 61 8.456 -18.731 1.534 1168 1HB GLN 61 1HB GLN 61 7.767 -16.299 3.208 1169 2HB GLN 61 2HB GLN 61 7.253 -17.934 3.625 1170 1HG GLN 61 1HG GLN 61 9.595 -18.674 3.693 1171 2HG GLN 61 2HG GLN 61 10.130 -17.057 3.232 1172 1HE2 GLN 61 1HE2 GLN 61 10.692 -15.750 4.972 1173 2HE2 GLN 61 2HE2 GLN 61 10.099 -15.921 6.554 1174 H PHE 62 H PHE 62 6.626 -15.687 1.115 1175 HA PHE 62 HA PHE 62 4.017 -16.753 0.931 1176 1HB PHE 62 1HB PHE 62 4.302 -14.413 1.078 1177 2HB PHE 62 2HB PHE 62 5.459 -14.382 -0.254 1178 HD1 PHE 62 HD1 PHE 62 1.964 -14.211 0.684 1179 HD2 PHE 62 HD2 PHE 62 4.649 -14.872 -2.604 1180 HE1 PHE 62 HE1 PHE 62 0.116 -13.778 -0.912 1181 HE2 PHE 62 HE2 PHE 62 2.802 -14.440 -4.201 1182 HZ PHE 62 HZ PHE 62 0.534 -13.894 -3.355 1183 H LEU 63 H LEU 63 6.334 -16.136 -1.739 1184 HA LEU 63 HA LEU 63 4.709 -17.082 -3.866 1185 1HB LEU 63 1HB LEU 63 7.714 -17.127 -3.446 1186 2HB LEU 63 2HB LEU 63 6.920 -17.322 -5.008 1187 HG LEU 63 HG LEU 63 6.603 -14.905 -3.206 1188 1HD1 LEU 63 1HD1 LEU 63 8.014 -14.931 -5.862 1189 2HD1 LEU 63 2HD1 LEU 63 8.887 -15.381 -4.398 1190 3HD1 LEU 63 3HD1 LEU 63 8.166 -13.778 -4.536 1191 1HD2 LEU 63 1HD2 LEU 63 4.650 -15.230 -4.592 1192 2HD2 LEU 63 2HD2 LEU 63 5.649 -15.568 -6.007 1193 3HD2 LEU 63 3HD2 LEU 63 5.608 -13.942 -5.323 1194 H SER 64 H SER 64 7.103 -18.860 -1.886 1195 HA SER 64 HA SER 64 6.793 -21.386 -3.209 1196 1HB SER 64 1HB SER 64 8.364 -20.246 -1.236 1197 2HB SER 64 2HB SER 64 7.423 -21.431 -0.336 1198 HG SER 64 HG SER 64 8.608 -22.912 -1.217 1199 H GLN 65 H GLN 65 4.819 -19.716 -0.880 1200 HA GLN 65 HA GLN 65 3.373 -22.195 -0.114 1201 1HB GLN 65 1HB GLN 65 3.181 -19.281 0.718 1202 2HB GLN 65 2HB GLN 65 2.231 -20.585 1.435 1203 1HG GLN 65 1HG GLN 65 5.111 -21.161 1.325 1204 2HG GLN 65 2HG GLN 65 4.708 -19.767 2.328 1205 1HE2 GLN 65 1HE2 GLN 65 4.275 -20.341 4.455 1206 2HE2 GLN 65 2HE2 GLN 65 3.594 -21.813 4.953 1207 H VAL 66 H VAL 66 3.113 -19.541 -2.327 1208 HA VAL 66 HA VAL 66 0.202 -20.097 -2.752 1209 HB VAL 66 HB VAL 66 0.185 -17.889 -3.782 1210 1HG1 VAL 66 1HG1 VAL 66 1.080 -18.399 -1.089 1211 2HG1 VAL 66 2HG1 VAL 66 0.039 -17.103 -1.678 1212 3HG1 VAL 66 3HG1 VAL 66 1.791 -16.894 -1.670 1213 1HG2 VAL 66 1HG2 VAL 66 2.118 -17.548 -4.984 1214 2HG2 VAL 66 2HG2 VAL 66 3.128 -18.355 -3.785 1215 3HG2 VAL 66 3HG2 VAL 66 2.589 -16.700 -3.511 1216 H LYS 67 H LYS 67 -0.102 -21.583 -4.375 1217 HA LYS 67 HA LYS 67 1.884 -22.172 -6.399 1218 1HB LYS 67 1HB LYS 67 0.152 -23.724 -5.437 1219 2HB LYS 67 2HB LYS 67 -1.083 -22.808 -6.301 1220 1HG LYS 67 1HG LYS 67 -0.695 -24.097 -8.104 1221 2HG LYS 67 2HG LYS 67 0.915 -23.384 -8.207 1222 1HD LYS 67 1HD LYS 67 1.909 -25.137 -6.998 1223 2HD LYS 67 2HD LYS 67 0.371 -25.653 -6.305 1224 1HE LYS 67 1HE LYS 67 0.530 -25.737 -9.273 1225 2HE LYS 67 2HE LYS 67 1.514 -26.930 -8.404 1226 1HZ LYS 67 1HZ LYS 67 -1.199 -26.430 -7.434 1227 2HZ LYS 67 2HZ LYS 67 -0.296 -27.868 -7.426 1228 3HZ LYS 67 3HZ LYS 67 -1.041 -27.337 -8.859 1229 H ILE 68 H ILE 68 2.307 -20.773 -8.069 1230 HA ILE 68 HA ILE 68 0.273 -18.836 -8.956 1231 HB ILE 68 HB ILE 68 2.887 -18.653 -8.557 1232 1HG1 ILE 68 1HG1 ILE 68 2.919 -16.894 -10.433 1233 2HG1 ILE 68 2HG1 ILE 68 1.258 -17.391 -10.760 1234 1HG2 ILE 68 1HG2 ILE 68 4.151 -18.899 -10.661 1235 2HG2 ILE 68 2HG2 ILE 68 2.709 -19.533 -11.456 1236 3HG2 ILE 68 3HG2 ILE 68 3.471 -20.444 -10.151 1237 1HD1 ILE 68 1HD1 ILE 68 0.524 -16.735 -8.597 1238 2HD1 ILE 68 2HD1 ILE 68 1.572 -15.422 -9.133 1239 3HD1 ILE 68 3HD1 ILE 68 2.174 -16.620 -7.986 1240 HA PRO 69 HA PRO 69 -0.638 -21.421 -12.426 1241 1HB PRO 69 1HB PRO 69 -2.592 -19.870 -13.546 1242 2HB PRO 69 2HB PRO 69 -2.847 -20.829 -12.074 1243 1HG PRO 69 1HG PRO 69 -2.298 -17.920 -12.365 1244 2HG PRO 69 2HG PRO 69 -3.388 -18.757 -11.250 1245 1HD PRO 69 1HD PRO 69 -0.943 -17.814 -10.521 1246 2HD PRO 69 2HD PRO 69 -1.720 -19.214 -9.752 1247 H LYS 70 H LYS 70 -0.555 -21.324 -14.830 1248 HA LYS 70 HA LYS 70 1.638 -19.764 -15.823 1249 1HB LYS 70 1HB LYS 70 -0.408 -21.674 -16.807 1250 2HB LYS 70 2HB LYS 70 0.304 -20.628 -18.036 1251 1HG LYS 70 1HG LYS 70 2.173 -21.877 -18.039 1252 2HG LYS 70 2HG LYS 70 2.399 -21.561 -16.317 1253 1HD LYS 70 1HD LYS 70 0.820 -23.413 -15.797 1254 2HD LYS 70 2HD LYS 70 0.694 -23.760 -17.523 1255 1HE LYS 70 1HE LYS 70 3.369 -23.818 -17.321 1256 2HE LYS 70 2HE LYS 70 2.966 -24.276 -15.653 1257 1HZ LYS 70 1HZ LYS 70 1.518 -25.485 -17.919 1258 2HZ LYS 70 2HZ LYS 70 1.740 -26.089 -16.347 1259 3HZ LYS 70 3HZ LYS 70 3.027 -26.105 -17.455 1260 H THR 71 H THR 71 -1.710 -19.019 -15.418 1261 HA THR 71 HA THR 71 -1.809 -16.980 -17.539 1262 HB THR 71 HB THR 71 -3.646 -17.816 -15.275 1263 HG1 THR 71 HG1 THR 71 -4.341 -18.101 -17.926 1264 1HG2 THR 71 1HG2 THR 71 -5.068 -16.127 -15.779 1265 2HG2 THR 71 2HG2 THR 71 -4.796 -16.304 -17.511 1266 3HG2 THR 71 3HG2 THR 71 -3.671 -15.361 -16.535 1267 H ILE 72 H ILE 72 -1.281 -17.109 -14.038 1268 HA ILE 72 HA ILE 72 -1.329 -14.152 -13.833 1269 HB ILE 72 HB ILE 72 -0.900 -16.406 -11.847 1270 1HG1 ILE 72 1HG1 ILE 72 -3.290 -14.616 -12.396 1271 2HG1 ILE 72 2HG1 ILE 72 -3.160 -16.315 -12.856 1272 1HG2 ILE 72 1HG2 ILE 72 -0.433 -13.569 -11.636 1273 2HG2 ILE 72 2HG2 ILE 72 -0.215 -14.816 -10.408 1274 3HG2 ILE 72 3HG2 ILE 72 -1.779 -14.024 -10.590 1275 1HD1 ILE 72 1HD1 ILE 72 -3.283 -15.146 -10.072 1276 2HD1 ILE 72 2HD1 ILE 72 -2.728 -16.792 -10.372 1277 3HD1 ILE 72 3HD1 ILE 72 -4.370 -16.323 -10.808 1278 H THR 73 H THR 73 0.520 -12.936 -13.251 1279 HA THR 73 HA THR 73 3.145 -14.339 -13.094 1280 HB THR 73 HB THR 73 2.416 -12.136 -15.055 1281 HG1 THR 73 HG1 THR 73 2.696 -14.914 -15.217 1282 1HG2 THR 73 1HG2 THR 73 4.950 -13.640 -15.309 1283 2HG2 THR 73 2HG2 THR 73 4.858 -12.548 -13.928 1284 3HG2 THR 73 3HG2 THR 73 4.627 -11.925 -15.561 1285 H VAL 74 H VAL 74 4.793 -12.987 -12.093 1286 HA VAL 74 HA VAL 74 3.907 -10.335 -11.074 1287 HB VAL 74 HB VAL 74 3.157 -11.961 -9.424 1288 1HG1 VAL 74 1HG1 VAL 74 5.594 -13.283 -10.218 1289 2HG1 VAL 74 2HG1 VAL 74 4.257 -13.920 -9.261 1290 3HG1 VAL 74 3HG1 VAL 74 5.583 -13.069 -8.468 1291 1HG2 VAL 74 1HG2 VAL 74 4.325 -11.130 -7.481 1292 2HG2 VAL 74 2HG2 VAL 74 4.288 -9.822 -8.663 1293 3HG2 VAL 74 3HG2 VAL 74 5.762 -10.762 -8.436 1294 H SER 75 H SER 75 5.743 -9.131 -10.080 1295 HA SER 75 HA SER 75 8.448 -10.157 -10.839 1296 1HB SER 75 1HB SER 75 6.926 -8.260 -12.242 1297 2HB SER 75 2HB SER 75 8.091 -7.309 -11.326 1298 HG SER 75 HG SER 75 8.481 -8.752 -13.525 1299 H THR 76 H THR 76 10.104 -8.351 -9.952 1300 HA THR 76 HA THR 76 9.284 -7.820 -7.122 1301 HB THR 76 HB THR 76 12.115 -7.701 -8.058 1302 HG1 THR 76 HG1 THR 76 12.242 -9.806 -8.441 1303 1HG2 THR 76 1HG2 THR 76 12.033 -9.332 -5.900 1304 2HG2 THR 76 2HG2 THR 76 10.559 -8.401 -5.633 1305 3HG2 THR 76 3HG2 THR 76 12.111 -7.575 -5.778 1306 H GLY 77 H GLY 77 10.341 -5.820 -6.163 1307 1HA GLY 77 1HA GLY 77 11.271 -3.709 -7.909 1308 2HA GLY 77 2HA GLY 77 9.586 -3.459 -7.453 1309 H PHE 78 H PHE 78 11.125 -1.513 -6.559 1310 HA PHE 78 HA PHE 78 11.301 -2.031 -3.635 1311 1HB PHE 78 1HB PHE 78 13.512 -2.113 -5.324 1312 2HB PHE 78 2HB PHE 78 13.558 -0.474 -4.671 1313 HD1 PHE 78 HD1 PHE 78 15.204 -0.465 -2.995 1314 HD2 PHE 78 HD2 PHE 78 12.344 -3.669 -3.139 1315 HE1 PHE 78 HE1 PHE 78 16.075 -1.341 -0.844 1316 HE2 PHE 78 HE2 PHE 78 13.215 -4.543 -0.988 1317 HZ PHE 78 HZ PHE 78 15.082 -3.379 0.160 1318 H MET 79 H MET 79 10.586 -0.250 -2.490 1319 HA MET 79 HA MET 79 10.172 2.294 -4.029 1320 1HB MET 79 1HB MET 79 8.575 0.758 -1.994 1321 2HB MET 79 2HB MET 79 8.328 2.496 -2.162 1322 1HG MET 79 1HG MET 79 8.388 1.488 -4.791 1323 2HG MET 79 2HG MET 79 7.395 0.356 -3.873 1324 1HE MET 79 1HE MET 79 6.466 4.484 -5.326 1325 2HE MET 79 2HE MET 79 7.969 4.306 -4.426 1326 3HE MET 79 3HE MET 79 7.651 3.286 -5.836 1327 H SER 80 H SER 80 10.508 4.273 -2.823 1328 HA SER 80 HA SER 80 12.106 3.932 -0.305 1329 1HB SER 80 1HB SER 80 13.213 6.108 -1.294 1330 2HB SER 80 2HB SER 80 13.681 4.532 -1.929 1331 HG SER 80 HG SER 80 13.153 5.582 -3.726 1332 H ILE 81 H ILE 81 10.495 4.548 1.171 1333 HA ILE 81 HA ILE 81 8.825 6.925 0.640 1334 HB ILE 81 HB ILE 81 8.115 4.712 1.723 1335 1HG1 ILE 81 1HG1 ILE 81 7.595 7.085 3.513 1336 2HG1 ILE 81 2HG1 ILE 81 6.951 7.028 1.872 1337 1HG2 ILE 81 1HG2 ILE 81 8.829 4.156 3.850 1338 2HG2 ILE 81 2HG2 ILE 81 9.145 5.833 4.295 1339 3HG2 ILE 81 3HG2 ILE 81 10.281 4.965 3.263 1340 1HD1 ILE 81 1HD1 ILE 81 6.306 5.268 4.218 1341 2HD1 ILE 81 2HD1 ILE 81 6.122 4.637 2.581 1342 3HD1 ILE 81 3HD1 ILE 81 5.209 6.058 3.086 Start of MODEL 20 1 1H MET 1 1H MET 1 14.321 0.108 -17.848 2 2H MET 1 2H MET 1 15.469 -0.801 -16.987 3 3H MET 1 3H MET 1 15.245 0.845 -16.631 4 HA MET 1 HA MET 1 13.372 -1.395 -16.083 5 1HB MET 1 1HB MET 1 15.155 0.500 -14.579 6 2HB MET 1 2HB MET 1 13.718 -0.142 -13.783 7 1HG MET 1 1HG MET 1 14.467 -2.440 -14.273 8 2HG MET 1 2HG MET 1 15.902 -1.803 -15.076 9 1HE MET 1 1HE MET 1 13.882 -2.484 -12.223 10 2HE MET 1 2HE MET 1 14.929 -2.505 -10.806 11 3HE MET 1 3HE MET 1 14.146 -1.001 -11.310 12 H THR 2 H THR 2 11.512 -0.444 -14.658 13 HA THR 2 HA THR 2 10.403 1.940 -16.084 14 HB THR 2 HB THR 2 8.329 0.831 -14.733 15 HG1 THR 2 HG1 THR 2 8.813 -1.079 -14.060 16 1HG2 THR 2 1HG2 THR 2 7.804 0.797 -16.928 17 2HG2 THR 2 2HG2 THR 2 8.510 -0.818 -16.957 18 3HG2 THR 2 3HG2 THR 2 9.488 0.580 -17.404 19 HA PRO 3 HA PRO 3 10.267 3.708 -12.003 20 1HB PRO 3 1HB PRO 3 9.455 6.212 -12.726 21 2HB PRO 3 2HB PRO 3 11.071 5.581 -13.098 22 1HG PRO 3 1HG PRO 3 8.708 5.881 -14.854 23 2HG PRO 3 2HG PRO 3 10.428 6.042 -15.235 24 1HD PRO 3 1HD PRO 3 8.873 3.838 -15.829 25 2HD PRO 3 2HD PRO 3 10.644 3.837 -15.717 26 H ILE 4 H ILE 4 8.754 4.653 -10.411 27 HA ILE 4 HA ILE 4 5.874 4.603 -11.183 28 HB ILE 4 HB ILE 4 5.458 3.116 -9.213 29 1HG1 ILE 4 1HG1 ILE 4 8.353 2.405 -9.132 30 2HG1 ILE 4 2HG1 ILE 4 7.875 3.901 -8.327 31 1HG2 ILE 4 1HG2 ILE 4 6.042 1.120 -10.337 32 2HG2 ILE 4 2HG2 ILE 4 7.513 1.825 -11.006 33 3HG2 ILE 4 3HG2 ILE 4 5.938 2.315 -11.631 34 1HD1 ILE 4 1HD1 ILE 4 7.004 1.081 -7.739 35 2HD1 ILE 4 2HD1 ILE 4 5.979 2.441 -7.279 36 3HD1 ILE 4 3HD1 ILE 4 7.613 2.307 -6.626 37 H VAL 5 H VAL 5 4.511 5.558 -9.415 38 HA VAL 5 HA VAL 5 5.997 7.204 -7.426 39 HB VAL 5 HB VAL 5 4.095 8.230 -9.561 40 1HG1 VAL 5 1HG1 VAL 5 5.453 9.670 -7.260 41 2HG1 VAL 5 2HG1 VAL 5 3.720 9.383 -7.428 42 3HG1 VAL 5 3HG1 VAL 5 4.549 10.456 -8.555 43 1HG2 VAL 5 1HG2 VAL 5 6.127 9.612 -10.162 44 2HG2 VAL 5 2HG2 VAL 5 6.320 7.882 -10.446 45 3HG2 VAL 5 3HG2 VAL 5 7.055 8.631 -9.027 46 H HIS 6 H HIS 6 4.908 7.075 -5.500 47 HA HIS 6 HA HIS 6 2.070 6.138 -5.546 48 1HB HIS 6 1HB HIS 6 4.467 5.599 -4.005 49 2HB HIS 6 2HB HIS 6 3.142 6.073 -2.941 50 HD1 HIS 6 HD1 HIS 6 2.815 3.634 -2.079 51 HD2 HIS 6 HD2 HIS 6 2.292 4.053 -6.194 52 HE1 HIS 6 HE1 HIS 6 1.737 1.489 -2.887 53 H LEU 7 H LEU 7 0.616 7.789 -5.308 54 HA LEU 7 HA LEU 7 1.351 10.082 -3.513 55 1HB LEU 7 1HB LEU 7 1.147 10.670 -5.890 56 2HB LEU 7 2HB LEU 7 -0.447 9.920 -5.955 57 HG LEU 7 HG LEU 7 -0.583 11.693 -3.789 58 1HD1 LEU 7 1HD1 LEU 7 1.143 12.714 -6.013 59 2HD1 LEU 7 2HD1 LEU 7 1.239 13.040 -4.282 60 3HD1 LEU 7 3HD1 LEU 7 0.001 13.827 -5.260 61 1HD2 LEU 7 1HD2 LEU 7 -2.506 11.508 -5.073 62 2HD2 LEU 7 2HD2 LEU 7 -1.619 11.571 -6.596 63 3HD2 LEU 7 3HD2 LEU 7 -1.889 13.048 -5.671 64 H LYS 8 H LYS 8 -0.312 10.804 -2.062 65 HA LYS 8 HA LYS 8 -2.817 9.181 -1.970 66 1HB LYS 8 1HB LYS 8 -0.970 8.189 -0.566 67 2HB LYS 8 2HB LYS 8 -0.969 9.676 0.383 68 1HG LYS 8 1HG LYS 8 -3.256 9.319 1.074 69 2HG LYS 8 2HG LYS 8 -3.428 7.957 -0.034 70 1HD LYS 8 1HD LYS 8 -2.849 6.668 1.738 71 2HD LYS 8 2HD LYS 8 -1.208 7.241 1.439 72 1HE LYS 8 1HE LYS 8 -1.201 8.458 3.356 73 2HE LYS 8 2HE LYS 8 -2.784 9.172 2.982 74 1HZ LYS 8 1HZ LYS 8 -3.589 6.751 3.461 75 2HZ LYS 8 2HZ LYS 8 -3.334 7.836 4.743 76 3HZ LYS 8 3HZ LYS 8 -2.162 6.661 4.375 77 H GLY 9 H GLY 9 -4.322 10.151 -0.225 78 1HA GLY 9 1HA GLY 9 -4.267 12.513 1.078 79 2HA GLY 9 2HA GLY 9 -4.363 13.080 -0.590 80 H ASP 10 H ASP 10 -6.453 13.808 0.932 81 HA ASP 10 HA ASP 10 -8.618 11.937 1.158 82 1HB ASP 10 1HB ASP 10 -8.704 14.940 0.724 83 2HB ASP 10 2HB ASP 10 -9.925 13.955 1.529 84 H ALA 11 H ALA 11 -10.155 11.303 -0.355 85 HA ALA 11 HA ALA 11 -9.695 11.335 -3.113 86 1HB ALA 11 1HB ALA 11 -11.924 10.841 -1.253 87 2HB ALA 11 2HB ALA 11 -12.441 11.263 -2.884 88 3HB ALA 11 3HB ALA 11 -11.377 9.881 -2.626 89 H ASN 12 H ASN 12 -11.089 13.868 -1.120 90 HA ASN 12 HA ASN 12 -12.426 15.356 -3.175 91 1HB ASN 12 1HB ASN 12 -12.494 15.500 -0.591 92 2HB ASN 12 2HB ASN 12 -11.055 16.509 -0.743 93 1HD2 ASN 12 1HD2 ASN 12 -11.544 18.695 -0.846 94 2HD2 ASN 12 2HD2 ASN 12 -12.966 19.351 -1.502 95 H THR 13 H THR 13 -9.269 16.109 -1.623 96 HA THR 13 HA THR 13 -8.469 18.099 -3.478 97 HB THR 13 HB THR 13 -6.355 16.364 -2.367 98 HG1 THR 13 HG1 THR 13 -8.370 17.514 -0.738 99 1HG2 THR 13 1HG2 THR 13 -6.695 19.033 -3.051 100 2HG2 THR 13 2HG2 THR 13 -5.336 18.366 -2.147 101 3HG2 THR 13 3HG2 THR 13 -6.712 19.056 -1.287 102 H LEU 14 H LEU 14 -8.196 14.577 -3.633 103 HA LEU 14 HA LEU 14 -6.370 14.443 -5.853 104 1HB LEU 14 1HB LEU 14 -8.498 12.570 -4.767 105 2HB LEU 14 2HB LEU 14 -7.296 12.102 -5.970 106 HG LEU 14 HG LEU 14 -6.561 13.270 -3.276 107 1HD1 LEU 14 1HD1 LEU 14 -7.686 11.192 -2.814 108 2HD1 LEU 14 2HD1 LEU 14 -5.954 10.872 -2.723 109 3HD1 LEU 14 3HD1 LEU 14 -6.865 10.386 -4.152 110 1HD2 LEU 14 1HD2 LEU 14 -4.984 11.690 -5.334 111 2HD2 LEU 14 2HD2 LEU 14 -4.350 12.348 -3.825 112 3HD2 LEU 14 3HD2 LEU 14 -4.885 13.436 -5.106 113 H LYS 15 H LYS 15 -9.871 14.834 -5.601 114 HA LYS 15 HA LYS 15 -10.622 14.175 -8.267 115 1HB LYS 15 1HB LYS 15 -11.646 15.953 -6.070 116 2HB LYS 15 2HB LYS 15 -12.434 15.995 -7.647 117 1HG LYS 15 1HG LYS 15 -11.904 13.424 -6.154 118 2HG LYS 15 2HG LYS 15 -13.409 14.329 -5.987 119 1HD LYS 15 1HD LYS 15 -13.738 14.186 -8.450 120 2HD LYS 15 2HD LYS 15 -12.275 13.208 -8.568 121 1HE LYS 15 1HE LYS 15 -13.703 11.437 -8.312 122 2HE LYS 15 2HE LYS 15 -13.696 11.890 -6.596 123 1HZ LYS 15 1HZ LYS 15 -15.679 12.499 -8.668 124 2HZ LYS 15 2HZ LYS 15 -15.417 13.656 -7.451 125 3HZ LYS 15 3HZ LYS 15 -15.915 12.084 -7.040 126 H CYS 16 H CYS 16 -9.617 17.294 -6.857 127 HA CYS 16 HA CYS 16 -9.837 18.794 -9.314 128 1HB CYS 16 1HB CYS 16 -9.764 19.505 -6.810 129 2HB CYS 16 2HB CYS 16 -8.011 19.435 -7.000 130 HG CYS 16 HG CYS 16 -9.722 21.689 -7.964 131 H LEU 17 H LEU 17 -7.144 17.064 -7.747 132 HA LEU 17 HA LEU 17 -5.011 18.026 -9.354 133 1HB LEU 17 1HB LEU 17 -5.635 15.789 -7.563 134 2HB LEU 17 2HB LEU 17 -4.439 15.371 -8.790 135 HG LEU 17 HG LEU 17 -2.975 17.120 -8.113 136 1HD1 LEU 17 1HD1 LEU 17 -4.182 19.051 -7.761 137 2HD1 LEU 17 2HD1 LEU 17 -3.932 18.582 -6.079 138 3HD1 LEU 17 3HD1 LEU 17 -5.461 18.217 -6.879 139 1HD2 LEU 17 1HD2 LEU 17 -4.074 16.344 -5.431 140 2HD2 LEU 17 2HD2 LEU 17 -2.397 16.404 -5.974 141 3HD2 LEU 17 3HD2 LEU 17 -3.446 15.084 -6.492 142 H ARG 18 H ARG 18 -6.856 14.983 -9.804 143 HA ARG 18 HA ARG 18 -5.783 14.094 -12.210 144 1HB ARG 18 1HB ARG 18 -7.586 13.084 -10.715 145 2HB ARG 18 2HB ARG 18 -8.740 14.120 -11.558 146 1HG ARG 18 1HG ARG 18 -8.464 13.006 -13.590 147 2HG ARG 18 2HG ARG 18 -6.868 12.393 -13.152 148 1HD ARG 18 1HD ARG 18 -8.376 10.513 -13.033 149 2HD ARG 18 2HD ARG 18 -8.061 10.996 -11.354 150 HE ARG 18 HE ARG 18 -10.377 11.430 -11.249 151 1HH1 ARG 18 1HH2 ARG 18 -10.800 10.419 -14.094 152 2HH1 ARG 18 2HH2 ARG 18 -11.543 11.799 -14.832 153 1HH2 ARG 18 1HH1 ARG 18 -10.609 13.984 -12.307 154 2HH2 ARG 18 2HH1 ARG 18 -11.435 13.816 -13.821 155 H TYR 19 H TYR 19 -7.743 16.943 -11.708 156 HA TYR 19 HA TYR 19 -8.789 17.270 -14.357 157 1HB TYR 19 1HB TYR 19 -9.534 18.504 -12.354 158 2HB TYR 19 2HB TYR 19 -7.958 19.287 -12.244 159 HD1 TYR 19 HD1 TYR 19 -10.946 18.891 -14.446 160 HD2 TYR 19 HD2 TYR 19 -7.456 21.218 -13.517 161 HE1 TYR 19 HE1 TYR 19 -11.703 20.656 -16.019 162 HE2 TYR 19 HE2 TYR 19 -8.212 22.981 -15.089 163 HH TYR 19 HH TYR 19 -9.717 23.071 -17.160 164 H ARG 20 H ARG 20 -5.623 17.864 -12.959 165 HA ARG 20 HA ARG 20 -4.665 19.517 -15.178 166 1HB ARG 20 1HB ARG 20 -3.531 18.181 -12.727 167 2HB ARG 20 2HB ARG 20 -2.447 18.891 -13.923 168 1HG ARG 20 1HG ARG 20 -3.606 21.053 -13.708 169 2HG ARG 20 2HG ARG 20 -4.710 20.347 -12.525 170 1HD ARG 20 1HD ARG 20 -3.205 20.624 -10.853 171 2HD ARG 20 2HD ARG 20 -1.921 19.856 -11.808 172 HE ARG 20 HE ARG 20 -1.169 22.039 -12.268 173 1HH1 ARG 20 1HH2 ARG 20 -4.484 22.061 -11.387 174 2HH1 ARG 20 2HH2 ARG 20 -4.756 23.692 -11.899 175 1HH2 ARG 20 1HH1 ARG 20 -1.548 24.118 -13.142 176 2HH2 ARG 20 2HH1 ARG 20 -3.093 24.858 -12.892 177 H PHE 21 H PHE 21 -4.614 16.095 -14.286 178 HA PHE 21 HA PHE 21 -2.638 15.220 -16.185 179 1HB PHE 21 1HB PHE 21 -5.037 13.811 -14.967 180 2HB PHE 21 2HB PHE 21 -3.656 13.011 -15.713 181 HD1 PHE 21 HD1 PHE 21 -2.173 15.759 -14.330 182 HD2 PHE 21 HD2 PHE 21 -4.126 12.140 -13.081 183 HE1 PHE 21 HE1 PHE 21 -0.953 15.842 -12.171 184 HE2 PHE 21 HE2 PHE 21 -2.906 12.225 -10.924 185 HZ PHE 21 HZ PHE 21 -1.320 14.077 -10.469 186 H LYS 22 H LYS 22 -5.868 16.332 -16.572 187 HA LYS 22 HA LYS 22 -6.724 14.818 -18.842 188 1HB LYS 22 1HB LYS 22 -7.273 17.642 -17.877 189 2HB LYS 22 2HB LYS 22 -8.198 16.850 -19.154 190 1HG LYS 22 1HG LYS 22 -7.838 15.604 -16.423 191 2HG LYS 22 2HG LYS 22 -9.175 16.696 -16.790 192 1HD LYS 22 1HD LYS 22 -10.297 14.956 -17.668 193 2HD LYS 22 2HD LYS 22 -9.063 14.844 -18.924 194 1HE LYS 22 1HE LYS 22 -7.841 13.198 -17.748 195 2HE LYS 22 2HE LYS 22 -8.627 13.591 -16.207 196 1HZ LYS 22 1HZ LYS 22 -9.913 11.835 -16.815 197 2HZ LYS 22 2HZ LYS 22 -9.656 12.065 -18.479 198 3HZ LYS 22 3HZ LYS 22 -10.758 13.051 -17.641 199 H LYS 23 H LYS 23 -5.266 18.100 -18.732 200 HA LYS 23 HA LYS 23 -4.832 18.171 -21.609 201 1HB LYS 23 1HB LYS 23 -4.227 19.833 -19.193 202 2HB LYS 23 2HB LYS 23 -3.339 20.178 -20.677 203 1HG LYS 23 1HG LYS 23 -5.384 21.539 -20.573 204 2HG LYS 23 2HG LYS 23 -5.484 20.383 -21.901 205 1HD LYS 23 1HD LYS 23 -7.192 19.232 -20.935 206 2HD LYS 23 2HD LYS 23 -6.496 19.369 -19.321 207 1HE LYS 23 1HE LYS 23 -7.538 21.403 -18.893 208 2HE LYS 23 2HE LYS 23 -7.610 21.843 -20.610 209 1HZ LYS 23 1HZ LYS 23 -9.490 20.356 -19.055 210 2HZ LYS 23 2HZ LYS 23 -8.995 19.485 -20.427 211 3HZ LYS 23 3HZ LYS 23 -9.673 21.033 -20.598 212 H HIS 24 H HIS 24 -3.013 17.025 -18.858 213 HA HIS 24 HA HIS 24 -0.474 16.936 -20.400 214 1HB HIS 24 1HB HIS 24 -1.089 15.990 -17.586 215 2HB HIS 24 2HB HIS 24 0.491 16.398 -18.256 216 HD1 HIS 24 HD1 HIS 24 -0.098 17.967 -15.839 217 HD2 HIS 24 HD2 HIS 24 -1.532 19.180 -19.560 218 HE1 HIS 24 HE1 HIS 24 -0.584 20.444 -15.646 219 H CYS 25 H CYS 25 -2.655 15.265 -21.342 220 HA CYS 25 HA CYS 25 -2.627 12.591 -20.417 221 1HB CYS 25 1HB CYS 25 -3.551 12.114 -22.623 222 2HB CYS 25 2HB CYS 25 -4.164 13.679 -22.085 223 HG CYS 25 HG CYS 25 -1.754 13.467 -24.073 224 H THR 26 H THR 26 -0.259 14.352 -22.314 225 HA THR 26 HA THR 26 1.189 11.848 -23.010 226 HB THR 26 HB THR 26 0.727 13.710 -24.647 227 HG1 THR 26 HG1 THR 26 2.642 13.404 -25.575 228 1HG2 THR 26 1HG2 THR 26 1.118 15.493 -22.851 229 2HG2 THR 26 2HG2 THR 26 1.832 15.810 -24.432 230 3HG2 THR 26 3HG2 THR 26 2.841 15.225 -23.110 231 H LEU 27 H LEU 27 1.024 13.545 -20.274 232 HA LEU 27 HA LEU 27 3.927 13.969 -19.836 233 1HB LEU 27 1HB LEU 27 1.350 14.777 -18.654 234 2HB LEU 27 2HB LEU 27 2.615 14.457 -17.466 235 HG LEU 27 HG LEU 27 4.131 15.912 -18.970 236 1HD1 LEU 27 1HD1 LEU 27 3.221 16.731 -20.855 237 2HD1 LEU 27 2HD1 LEU 27 2.019 17.591 -19.892 238 3HD1 LEU 27 3HD1 LEU 27 1.687 15.956 -20.463 239 1HD2 LEU 27 1HD2 LEU 27 2.495 17.976 -18.060 240 2HD2 LEU 27 2HD2 LEU 27 3.761 17.177 -17.129 241 3HD2 LEU 27 3HD2 LEU 27 2.091 16.627 -17.000 242 H TYR 28 H TYR 28 1.330 11.759 -18.864 243 HA TYR 28 HA TYR 28 3.325 10.194 -17.265 244 1HB TYR 28 1HB TYR 28 1.284 9.320 -16.126 245 2HB TYR 28 2HB TYR 28 1.403 11.077 -16.013 246 HD1 TYR 28 HD1 TYR 28 -0.054 12.536 -17.359 247 HD2 TYR 28 HD2 TYR 28 -0.417 8.256 -17.500 248 HE1 TYR 28 HE1 TYR 28 -2.265 12.759 -18.461 249 HE2 TYR 28 HE2 TYR 28 -2.628 8.480 -18.602 250 HH TYR 28 HH TYR 28 -4.023 11.694 -19.285 251 H THR 29 H THR 29 2.751 7.727 -17.346 252 HA THR 29 HA THR 29 2.334 7.009 -20.208 253 HB THR 29 HB THR 29 3.436 5.446 -17.852 254 HG1 THR 29 HG1 THR 29 4.552 7.175 -19.748 255 1HG2 THR 29 1HG2 THR 29 3.041 3.749 -19.323 256 2HG2 THR 29 2HG2 THR 29 4.512 4.350 -20.089 257 3HG2 THR 29 3HG2 THR 29 2.932 4.838 -20.705 258 H ALA 30 H ALA 30 1.103 6.278 -16.943 259 HA ALA 30 HA ALA 30 -1.421 5.326 -18.108 260 1HB ALA 30 1HB ALA 30 0.091 3.389 -16.372 261 2HB ALA 30 2HB ALA 30 -1.183 3.063 -17.547 262 3HB ALA 30 3HB ALA 30 0.440 3.474 -18.099 263 H VAL 31 H VAL 31 -2.945 6.156 -16.740 264 HA VAL 31 HA VAL 31 -2.225 6.866 -13.965 265 HB VAL 31 HB VAL 31 -3.506 8.373 -15.459 266 1HG1 VAL 31 1HG1 VAL 31 -5.227 7.631 -16.713 267 2HG1 VAL 31 2HG1 VAL 31 -6.033 6.947 -15.302 268 3HG1 VAL 31 3HG1 VAL 31 -4.823 6.002 -16.171 269 1HG2 VAL 31 1HG2 VAL 31 -4.608 7.322 -12.900 270 2HG2 VAL 31 2HG2 VAL 31 -5.664 8.375 -13.842 271 3HG2 VAL 31 3HG2 VAL 31 -4.085 8.954 -13.311 272 H SER 32 H SER 32 -2.263 5.127 -12.577 273 HA SER 32 HA SER 32 -3.822 2.755 -12.877 274 1HB SER 32 1HB SER 32 -2.103 2.410 -11.417 275 2HB SER 32 2HB SER 32 -2.102 4.087 -10.882 276 HG SER 32 HG SER 32 -3.813 3.634 -9.533 277 H SER 33 H SER 33 -5.786 2.126 -11.917 278 HA SER 33 HA SER 33 -7.823 4.085 -11.526 279 1HB SER 33 1HB SER 33 -9.055 2.069 -10.624 280 2HB SER 33 2HB SER 33 -8.284 1.798 -12.183 281 HG SER 33 HG SER 33 -6.663 1.301 -10.023 282 H THR 34 H THR 34 -9.027 4.444 -9.457 283 HA THR 34 HA THR 34 -7.292 5.269 -7.313 284 HB THR 34 HB THR 34 -9.864 5.186 -6.315 285 HG1 THR 34 HG1 THR 34 -11.025 4.587 -7.958 286 1HG2 THR 34 1HG2 THR 34 -8.562 7.212 -8.151 287 2HG2 THR 34 2HG2 THR 34 -8.488 7.180 -6.389 288 3HG2 THR 34 3HG2 THR 34 -10.014 7.528 -7.201 289 H TRP 35 H TRP 35 -6.314 3.833 -5.927 290 HA TRP 35 HA TRP 35 -7.975 1.690 -4.703 291 1HB TRP 35 1HB TRP 35 -6.525 -0.035 -5.406 292 2HB TRP 35 2HB TRP 35 -6.647 0.991 -6.833 293 HD1 TRP 35 HD1 TRP 35 -4.503 2.182 -7.668 294 HE1 TRP 35 HE1 TRP 35 -2.035 2.156 -6.925 295 HE3 TRP 35 HE3 TRP 35 -4.956 -0.249 -3.200 296 HZ2 TRP 35 HZ2 TRP 35 -0.461 1.225 -4.724 297 HZ3 TRP 35 HZ3 TRP 35 -2.959 -0.693 -1.801 298 HH2 TRP 35 HH2 TRP 35 -0.713 0.041 -2.557 299 H HIS 36 H HIS 36 -6.711 0.685 -2.805 300 HA HIS 36 HA HIS 36 -4.440 2.219 -1.759 301 1HB HIS 36 1HB HIS 36 -5.877 2.874 0.292 302 2HB HIS 36 2HB HIS 36 -6.123 3.792 -1.193 303 HD1 HIS 36 HD1 HIS 36 -8.242 3.108 -2.660 304 HD2 HIS 36 HD2 HIS 36 -8.119 1.443 1.159 305 HE1 HIS 36 HE1 HIS 36 -10.570 2.233 -2.186 306 H TRP 37 H TRP 37 -4.138 1.500 0.678 307 HA TRP 37 HA TRP 37 -4.043 -1.428 0.688 308 1HB TRP 37 1HB TRP 37 -3.283 0.718 2.693 309 2HB TRP 37 2HB TRP 37 -2.894 -0.992 2.875 310 HD1 TRP 37 HD1 TRP 37 -1.447 2.084 1.612 311 HE1 TRP 37 HE1 TRP 37 0.505 1.619 -0.007 312 HE3 TRP 37 HE3 TRP 37 -2.219 -2.884 0.706 313 HZ2 TRP 37 HZ2 TRP 37 1.596 -0.572 -1.489 314 HZ3 TRP 37 HZ3 TRP 37 -0.709 -4.135 -0.812 315 HH2 TRP 37 HH2 TRP 37 1.195 -2.985 -1.910 316 H THR 38 H THR 38 -5.647 -2.713 1.511 317 HA THR 38 HA THR 38 -7.124 -1.958 3.922 318 HB THR 38 HB THR 38 -8.246 -0.617 2.191 319 HG1 THR 38 HG1 THR 38 -10.191 -1.210 2.825 320 1HG2 THR 38 1HG2 THR 38 -9.523 -2.096 0.432 321 2HG2 THR 38 2HG2 THR 38 -8.240 -3.259 0.769 322 3HG2 THR 38 3HG2 THR 38 -7.838 -1.658 0.149 323 H GLY 39 H GLY 39 -8.342 -3.763 4.749 324 1HA GLY 39 1HA GLY 39 -7.769 -6.339 3.339 325 2HA GLY 39 2HA GLY 39 -7.899 -6.185 5.092 326 H HIS 40 H HIS 40 -9.998 -5.914 6.027 327 HA HIS 40 HA HIS 40 -12.372 -5.957 4.276 328 1HB HIS 40 1HB HIS 40 -11.466 -8.300 4.353 329 2HB HIS 40 2HB HIS 40 -11.695 -8.287 6.102 330 HD1 HIS 40 HD1 HIS 40 -13.798 -7.648 2.975 331 HD2 HIS 40 HD2 HIS 40 -14.210 -9.150 6.841 332 HE1 HIS 40 HE1 HIS 40 -16.190 -8.454 3.178 333 H ASN 41 H ASN 41 -11.095 -6.402 7.583 334 HA ASN 41 HA ASN 41 -13.471 -4.872 8.598 335 1HB ASN 41 1HB ASN 41 -12.751 -7.479 9.118 336 2HB ASN 41 2HB ASN 41 -12.003 -6.620 10.466 337 1HD2 ASN 41 1HD2 ASN 41 -15.128 -6.235 8.679 338 2HD2 ASN 41 2HD2 ASN 41 -16.085 -6.190 10.080 339 H VAL 42 H VAL 42 -11.438 -3.283 7.817 340 HA VAL 42 HA VAL 42 -10.054 -2.575 10.381 341 HB VAL 42 HB VAL 42 -8.047 -2.152 9.121 342 1HG1 VAL 42 1HG1 VAL 42 -8.653 -4.561 9.601 343 2HG1 VAL 42 2HG1 VAL 42 -7.550 -4.342 8.242 344 3HG1 VAL 42 3HG1 VAL 42 -9.257 -4.670 7.947 345 1HG2 VAL 42 1HG2 VAL 42 -7.965 -2.227 6.697 346 2HG2 VAL 42 2HG2 VAL 42 -9.267 -1.135 7.164 347 3HG2 VAL 42 3HG2 VAL 42 -9.640 -2.768 6.613 348 H LYS 43 H LYS 43 -8.821 -0.238 9.260 349 HA LYS 43 HA LYS 43 -11.205 1.532 9.111 350 1HB LYS 43 1HB LYS 43 -9.655 3.232 9.796 351 2HB LYS 43 2HB LYS 43 -9.229 1.789 10.716 352 1HG LYS 43 1HG LYS 43 -7.479 1.255 9.039 353 2HG LYS 43 2HG LYS 43 -7.880 2.737 8.172 354 1HD LYS 43 1HD LYS 43 -6.846 4.073 9.703 355 2HD LYS 43 2HD LYS 43 -7.348 3.071 11.065 356 1HE LYS 43 1HE LYS 43 -5.614 1.411 10.513 357 2HE LYS 43 2HE LYS 43 -5.118 2.385 9.114 358 1HZ LYS 43 1HZ LYS 43 -5.118 3.250 11.957 359 2HZ LYS 43 2HZ LYS 43 -4.776 4.266 10.640 360 3HZ LYS 43 3HZ LYS 43 -3.751 2.958 10.997 361 H HIS 44 H HIS 44 -11.790 2.504 7.204 362 HA HIS 44 HA HIS 44 -10.752 1.826 4.677 363 1HB HIS 44 1HB HIS 44 -12.284 4.176 5.792 364 2HB HIS 44 2HB HIS 44 -11.901 4.081 4.073 365 HD1 HIS 44 HD1 HIS 44 -14.307 2.903 6.552 366 HD2 HIS 44 HD2 HIS 44 -12.945 1.574 2.842 367 HE1 HIS 44 HE1 HIS 44 -15.997 1.203 5.735 368 H LYS 45 H LYS 45 -9.187 2.796 3.319 369 HA LYS 45 HA LYS 45 -7.387 4.793 4.653 370 1HB LYS 45 1HB LYS 45 -6.712 2.335 4.008 371 2HB LYS 45 2HB LYS 45 -6.611 2.990 2.372 372 1HG LYS 45 1HG LYS 45 -4.479 3.524 2.992 373 2HG LYS 45 2HG LYS 45 -5.262 4.908 3.755 374 1HD LYS 45 1HD LYS 45 -5.309 3.825 5.889 375 2HD LYS 45 2HD LYS 45 -4.864 2.271 5.183 376 1HE LYS 45 1HE LYS 45 -2.820 4.025 4.377 377 2HE LYS 45 2HE LYS 45 -3.124 4.416 6.082 378 1HZ LYS 45 1HZ LYS 45 -2.735 1.686 4.970 379 2HZ LYS 45 2HZ LYS 45 -3.066 2.051 6.596 380 3HZ LYS 45 3HZ LYS 45 -1.600 2.544 5.892 381 H SER 46 H SER 46 -6.723 6.598 3.419 382 HA SER 46 HA SER 46 -8.486 7.666 1.472 383 1HB SER 46 1HB SER 46 -5.552 8.204 2.033 384 2HB SER 46 2HB SER 46 -6.619 9.284 1.138 385 HG SER 46 HG SER 46 -7.984 9.017 3.167 386 H ALA 47 H ALA 47 -8.821 6.865 -0.553 387 HA ALA 47 HA ALA 47 -7.543 4.925 -1.989 388 1HB ALA 47 1HB ALA 47 -9.414 5.768 -3.044 389 2HB ALA 47 2HB ALA 47 -9.000 7.438 -2.662 390 3HB ALA 47 3HB ALA 47 -8.188 6.611 -3.991 391 H ILE 48 H ILE 48 -5.890 4.956 -3.688 392 HA ILE 48 HA ILE 48 -3.984 7.258 -3.568 393 HB ILE 48 HB ILE 48 -3.265 4.321 -3.312 394 1HG1 ILE 48 1HG1 ILE 48 -3.301 6.426 -1.129 395 2HG1 ILE 48 2HG1 ILE 48 -4.600 5.252 -1.364 396 1HG2 ILE 48 1HG2 ILE 48 -1.683 6.355 -4.140 397 2HG2 ILE 48 2HG2 ILE 48 -1.078 4.991 -3.201 398 3HG2 ILE 48 3HG2 ILE 48 -1.476 6.508 -2.396 399 1HD1 ILE 48 1HD1 ILE 48 -1.736 4.756 -0.557 400 2HD1 ILE 48 2HD1 ILE 48 -2.709 3.473 -1.275 401 3HD1 ILE 48 3HD1 ILE 48 -3.215 4.219 0.240 402 H VAL 49 H VAL 49 -3.280 7.786 -5.606 403 HA VAL 49 HA VAL 49 -3.822 5.848 -7.825 404 HB VAL 49 HB VAL 49 -3.621 8.866 -7.644 405 1HG1 VAL 49 1HG1 VAL 49 -2.599 7.917 -9.756 406 2HG1 VAL 49 2HG1 VAL 49 -3.993 8.964 -10.025 407 3HG1 VAL 49 3HG1 VAL 49 -4.174 7.213 -10.121 408 1HG2 VAL 49 1HG2 VAL 49 -5.766 8.204 -6.938 409 2HG2 VAL 49 2HG2 VAL 49 -5.827 6.859 -8.076 410 3HG2 VAL 49 3HG2 VAL 49 -5.998 8.515 -8.657 411 H THR 50 H THR 50 -1.978 4.843 -8.527 412 HA THR 50 HA THR 50 0.662 6.151 -8.144 413 HB THR 50 HB THR 50 -0.187 3.401 -9.119 414 HG1 THR 50 HG1 THR 50 0.034 2.798 -7.072 415 1HG2 THR 50 1HG2 THR 50 2.189 2.810 -8.644 416 2HG2 THR 50 2HG2 THR 50 2.521 4.516 -8.342 417 3HG2 THR 50 3HG2 THR 50 2.030 3.985 -9.949 418 H LEU 51 H LEU 51 2.107 6.454 -9.993 419 HA LEU 51 HA LEU 51 0.774 6.300 -12.669 420 1HB LEU 51 1HB LEU 51 2.153 8.628 -11.312 421 2HB LEU 51 2HB LEU 51 1.863 8.587 -13.052 422 HG LEU 51 HG LEU 51 -0.601 7.898 -12.120 423 1HD1 LEU 51 1HD1 LEU 51 -0.685 8.317 -9.899 424 2HD1 LEU 51 2HD1 LEU 51 -0.636 10.025 -10.339 425 3HD1 LEU 51 3HD1 LEU 51 0.853 9.178 -9.924 426 1HD2 LEU 51 1HD2 LEU 51 -1.270 9.992 -12.926 427 2HD2 LEU 51 2HD2 LEU 51 0.303 9.799 -13.699 428 3HD2 LEU 51 3HD2 LEU 51 0.145 10.809 -12.261 429 H THR 52 H THR 52 2.104 5.400 -14.186 430 HA THR 52 HA THR 52 4.949 4.891 -13.460 431 HB THR 52 HB THR 52 4.790 3.122 -15.038 432 HG1 THR 52 HG1 THR 52 3.857 3.560 -16.844 433 1HG2 THR 52 1HG2 THR 52 3.152 3.113 -12.974 434 2HG2 THR 52 2HG2 THR 52 3.017 1.863 -14.212 435 3HG2 THR 52 3HG2 THR 52 1.909 3.235 -14.219 436 H TYR 53 H TYR 53 6.617 5.914 -14.557 437 HA TYR 53 HA TYR 53 5.841 7.747 -16.797 438 1HB TYR 53 1HB TYR 53 8.098 7.772 -14.770 439 2HB TYR 53 2HB TYR 53 7.923 8.958 -16.064 440 HD1 TYR 53 HD1 TYR 53 6.349 7.590 -12.992 441 HD2 TYR 53 HD2 TYR 53 6.287 10.709 -15.947 442 HE1 TYR 53 HE1 TYR 53 4.747 8.876 -11.602 443 HE2 TYR 53 HE2 TYR 53 4.687 11.996 -14.555 444 HH TYR 53 HH TYR 53 2.983 11.491 -12.773 445 H ASP 54 H ASP 54 7.145 7.746 -18.690 446 HA ASP 54 HA ASP 54 8.510 5.219 -19.279 447 1HB ASP 54 1HB ASP 54 7.890 7.775 -20.780 448 2HB ASP 54 2HB ASP 54 8.765 6.434 -21.522 449 H SER 55 H SER 55 9.445 8.192 -17.929 450 HA SER 55 HA SER 55 12.284 7.471 -18.076 451 1HB SER 55 1HB SER 55 12.748 8.705 -19.910 452 2HB SER 55 2HB SER 55 11.047 9.139 -20.050 453 HG SER 55 HG SER 55 12.751 10.859 -19.686 454 H GLU 56 H GLU 56 13.355 8.364 -16.316 455 HA GLU 56 HA GLU 56 11.971 9.523 -14.148 456 1HB GLU 56 1HB GLU 56 14.850 9.487 -15.063 457 2HB GLU 56 2HB GLU 56 14.387 10.235 -13.534 458 1HG GLU 56 1HG GLU 56 13.588 7.410 -14.259 459 2HG GLU 56 2HG GLU 56 15.087 7.779 -13.406 460 H TRP 57 H TRP 57 13.723 11.108 -16.816 461 HA TRP 57 HA TRP 57 13.713 13.780 -15.925 462 1HB TRP 57 1HB TRP 57 14.432 12.401 -18.161 463 2HB TRP 57 2HB TRP 57 13.017 13.263 -18.763 464 HD1 TRP 57 HD1 TRP 57 13.155 15.866 -18.993 465 HE1 TRP 57 HE1 TRP 57 15.107 17.544 -18.862 466 HE3 TRP 57 HE3 TRP 57 16.746 12.877 -16.935 467 HZ2 TRP 57 HZ2 TRP 57 17.833 17.608 -17.996 468 HZ3 TRP 57 HZ3 TRP 57 19.011 13.770 -16.468 469 HH2 TRP 57 HH2 TRP 57 19.558 16.130 -16.996 470 H GLN 58 H GLN 58 11.204 12.142 -17.889 471 HA GLN 58 HA GLN 58 9.353 14.265 -18.045 472 1HB GLN 58 1HB GLN 58 9.373 12.052 -19.252 473 2HB GLN 58 2HB GLN 58 8.773 11.300 -17.774 474 1HG GLN 58 1HG GLN 58 6.840 12.936 -17.841 475 2HG GLN 58 2HG GLN 58 7.391 13.409 -19.449 476 1HE2 GLN 58 1HE2 GLN 58 5.353 12.504 -20.359 477 2HE2 GLN 58 2HE2 GLN 58 5.177 10.825 -20.537 478 H ARG 59 H ARG 59 9.699 11.774 -15.499 479 HA ARG 59 HA ARG 59 7.390 12.431 -13.979 480 1HB ARG 59 1HB ARG 59 8.901 10.452 -13.720 481 2HB ARG 59 2HB ARG 59 10.120 11.517 -13.018 482 1HG ARG 59 1HG ARG 59 8.192 12.221 -11.390 483 2HG ARG 59 2HG ARG 59 7.453 10.700 -11.892 484 1HD ARG 59 1HD ARG 59 9.052 9.418 -10.831 485 2HD ARG 59 2HD ARG 59 10.336 10.612 -11.104 486 HE ARG 59 HE ARG 59 8.137 11.063 -9.120 487 1HH1 ARG 59 1HH2 ARG 59 10.980 12.275 -10.431 488 2HH1 ARG 59 2HH2 ARG 59 11.745 12.611 -8.913 489 1HH2 ARG 59 1HH1 ARG 59 9.300 11.026 -7.032 490 2HH2 ARG 59 2HH1 ARG 59 10.793 11.904 -6.988 491 H ASP 60 H ASP 60 10.643 13.864 -13.983 492 HA ASP 60 HA ASP 60 10.399 15.505 -11.670 493 1HB ASP 60 1HB ASP 60 12.416 14.914 -13.138 494 2HB ASP 60 2HB ASP 60 11.867 16.192 -14.225 495 H GLN 61 H GLN 61 9.616 16.227 -15.090 496 HA GLN 61 HA GLN 61 8.827 18.952 -14.664 497 1HB GLN 61 1HB GLN 61 8.120 16.854 -16.734 498 2HB GLN 61 2HB GLN 61 7.689 18.557 -16.890 499 1HG GLN 61 1HG GLN 61 10.036 19.205 -16.818 500 2HG GLN 61 2HG GLN 61 10.519 17.535 -16.521 501 1HE2 GLN 61 1HE2 GLN 61 10.309 15.993 -18.316 502 2HE2 GLN 61 2HE2 GLN 61 10.134 16.534 -19.916 503 H PHE 62 H PHE 62 6.983 15.901 -14.613 504 HA PHE 62 HA PHE 62 4.360 16.924 -14.485 505 1HB PHE 62 1HB PHE 62 4.636 14.598 -14.716 506 2HB PHE 62 2HB PHE 62 5.794 14.511 -13.389 507 HD1 PHE 62 HD1 PHE 62 2.275 14.460 -14.325 508 HD2 PHE 62 HD2 PHE 62 5.006 14.763 -11.023 509 HE1 PHE 62 HE1 PHE 62 0.435 13.916 -12.752 510 HE2 PHE 62 HE2 PHE 62 3.167 14.221 -9.451 511 HZ PHE 62 HZ PHE 62 0.881 13.797 -10.315 512 H LEU 63 H LEU 63 6.605 16.262 -11.765 513 HA LEU 63 HA LEU 63 4.887 17.115 -9.662 514 1HB LEU 63 1HB LEU 63 7.900 17.147 -10.024 515 2HB LEU 63 2HB LEU 63 7.101 17.430 -8.477 516 HG LEU 63 HG LEU 63 6.636 14.951 -10.151 517 1HD1 LEU 63 1HD1 LEU 63 8.066 14.290 -7.822 518 2HD1 LEU 63 2HD1 LEU 63 8.904 15.687 -8.497 519 3HD1 LEU 63 3HD1 LEU 63 8.667 14.243 -9.480 520 1HD2 LEU 63 1HD2 LEU 63 4.844 15.128 -8.665 521 2HD2 LEU 63 2HD2 LEU 63 5.816 15.933 -7.433 522 3HD2 LEU 63 3HD2 LEU 63 5.995 14.201 -7.704 523 H SER 64 H SER 64 6.780 18.941 -11.980 524 HA SER 64 HA SER 64 6.670 21.458 -10.484 525 1HB SER 64 1HB SER 64 8.149 20.356 -12.561 526 2HB SER 64 2HB SER 64 7.164 21.570 -13.372 527 HG SER 64 HG SER 64 9.113 21.850 -11.384 528 H GLN 65 H GLN 65 4.597 19.776 -12.722 529 HA GLN 65 HA GLN 65 3.083 22.250 -13.380 530 1HB GLN 65 1HB GLN 65 2.626 19.376 -14.235 531 2HB GLN 65 2HB GLN 65 2.015 20.832 -15.022 532 1HG GLN 65 1HG GLN 65 4.966 20.248 -14.696 533 2HG GLN 65 2HG GLN 65 4.048 19.800 -16.133 534 1HE2 GLN 65 1HE2 GLN 65 4.579 21.316 -17.723 535 2HE2 GLN 65 2HE2 GLN 65 4.611 22.997 -17.485 536 H VAL 66 H VAL 66 2.949 19.493 -11.265 537 HA VAL 66 HA VAL 66 0.064 19.984 -10.666 538 HB VAL 66 HB VAL 66 0.259 17.785 -9.539 539 1HG1 VAL 66 1HG1 VAL 66 1.261 18.105 -12.363 540 2HG1 VAL 66 2HG1 VAL 66 -0.321 17.556 -11.809 541 3HG1 VAL 66 3HG1 VAL 66 1.084 16.501 -11.651 542 1HG2 VAL 66 1HG2 VAL 66 2.284 17.141 -8.788 543 2HG2 VAL 66 2HG2 VAL 66 3.057 18.474 -9.647 544 3HG2 VAL 66 3HG2 VAL 66 2.802 16.931 -10.460 545 H LYS 67 H LYS 67 -0.314 21.350 -8.962 546 HA LYS 67 HA LYS 67 1.780 22.043 -7.045 547 1HB LYS 67 1HB LYS 67 0.144 23.668 -7.855 548 2HB LYS 67 2HB LYS 67 -1.182 22.670 -7.255 549 1HG LYS 67 1HG LYS 67 -0.900 23.368 -5.110 550 2HG LYS 67 2HG LYS 67 0.860 23.325 -5.230 551 1HD LYS 67 1HD LYS 67 0.939 25.461 -6.292 552 2HD LYS 67 2HD LYS 67 -0.801 25.461 -6.580 553 1HE LYS 67 1HE LYS 67 0.046 25.185 -3.737 554 2HE LYS 67 2HE LYS 67 0.304 26.771 -4.490 555 1HZ LYS 67 1HZ LYS 67 -2.183 25.365 -3.947 556 2HZ LYS 67 2HZ LYS 67 -2.096 26.153 -5.450 557 3HZ LYS 67 3HZ LYS 67 -1.875 27.031 -4.012 558 H ILE 68 H ILE 68 2.273 20.620 -5.415 559 HA ILE 68 HA ILE 68 0.249 18.727 -4.405 560 HB ILE 68 HB ILE 68 2.867 18.530 -4.934 561 1HG1 ILE 68 1HG1 ILE 68 2.915 16.671 -3.182 562 2HG1 ILE 68 2HG1 ILE 68 1.293 17.196 -2.727 563 1HG2 ILE 68 1HG2 ILE 68 4.194 18.669 -2.874 564 2HG2 ILE 68 2HG2 ILE 68 2.780 19.236 -1.985 565 3HG2 ILE 68 3HG2 ILE 68 3.490 20.243 -3.248 566 1HD1 ILE 68 1HD1 ILE 68 1.220 17.041 -5.518 567 2HD1 ILE 68 2HD1 ILE 68 0.519 15.881 -4.390 568 3HD1 ILE 68 3HD1 ILE 68 2.144 15.623 -5.025 569 HA PRO 69 HA PRO 69 -0.341 21.411 -0.923 570 1HB PRO 69 1HB PRO 69 -2.546 20.164 0.110 571 2HB PRO 69 2HB PRO 69 -2.608 21.194 -1.334 572 1HG PRO 69 1HG PRO 69 -2.546 18.228 -1.126 573 2HG PRO 69 2HG PRO 69 -3.458 19.263 -2.236 574 1HD PRO 69 1HD PRO 69 -1.180 17.951 -2.943 575 2HD PRO 69 2HD PRO 69 -1.704 19.477 -3.688 576 H LYS 70 H LYS 70 -0.269 21.250 1.464 577 HA LYS 70 HA LYS 70 1.617 19.366 2.463 578 1HB LYS 70 1HB LYS 70 -0.401 21.266 3.650 579 2HB LYS 70 2HB LYS 70 0.574 20.237 4.700 580 1HG LYS 70 1HG LYS 70 2.183 21.811 4.548 581 2HG LYS 70 2HG LYS 70 2.417 21.271 2.885 582 1HD LYS 70 1HD LYS 70 1.198 23.024 1.996 583 2HD LYS 70 2HD LYS 70 0.200 23.199 3.439 584 1HE LYS 70 1HE LYS 70 2.462 23.924 4.583 585 2HE LYS 70 2HE LYS 70 2.961 24.268 2.915 586 1HZ LYS 70 1HZ LYS 70 1.140 25.703 4.550 587 2HZ LYS 70 2HZ LYS 70 0.355 25.164 3.144 588 3HZ LYS 70 3HZ LYS 70 1.756 26.118 3.027 589 H THR 71 H THR 71 -1.722 18.983 1.794 590 HA THR 71 HA THR 71 -2.215 16.902 3.814 591 HB THR 71 HB THR 71 -3.764 17.863 1.383 592 HG1 THR 71 HG1 THR 71 -4.919 19.024 2.971 593 1HG2 THR 71 1HG2 THR 71 -5.032 16.039 1.790 594 2HG2 THR 71 2HG2 THR 71 -5.540 16.864 3.265 595 3HG2 THR 71 3HG2 THR 71 -4.205 15.712 3.313 596 H ILE 72 H ILE 72 -1.547 17.086 0.318 597 HA ILE 72 HA ILE 72 -1.637 14.130 0.083 598 HB ILE 72 HB ILE 72 -1.187 16.412 -1.869 599 1HG1 ILE 72 1HG1 ILE 72 -3.570 14.588 -1.396 600 2HG1 ILE 72 2HG1 ILE 72 -3.462 16.272 -0.883 601 1HG2 ILE 72 1HG2 ILE 72 -0.347 13.835 -2.228 602 2HG2 ILE 72 2HG2 ILE 72 -0.850 14.900 -3.540 603 3HG2 ILE 72 3HG2 ILE 72 -1.992 13.744 -2.856 604 1HD1 ILE 72 1HD1 ILE 72 -3.143 15.400 -3.765 605 2HD1 ILE 72 2HD1 ILE 72 -3.348 17.043 -3.156 606 3HD1 ILE 72 3HD1 ILE 72 -4.687 15.898 -3.074 607 H THR 73 H THR 73 0.225 12.906 -0.517 608 HA THR 73 HA THR 73 2.847 14.324 -0.612 609 HB THR 73 HB THR 73 2.229 11.988 1.223 610 HG1 THR 73 HG1 THR 73 2.707 14.006 2.694 611 1HG2 THR 73 1HG2 THR 73 4.396 12.900 2.285 612 2HG2 THR 73 2HG2 THR 73 4.611 13.785 0.774 613 3HG2 THR 73 3HG2 THR 73 4.549 12.022 0.762 614 H VAL 74 H VAL 74 4.504 13.023 -1.638 615 HA VAL 74 HA VAL 74 3.646 10.399 -2.764 616 HB VAL 74 HB VAL 74 2.916 12.040 -4.377 617 1HG1 VAL 74 1HG1 VAL 74 5.393 13.368 -3.525 618 2HG1 VAL 74 2HG1 VAL 74 3.918 14.064 -4.195 619 3HG1 VAL 74 3HG1 VAL 74 5.148 13.401 -5.271 620 1HG2 VAL 74 1HG2 VAL 74 4.180 11.371 -6.312 621 2HG2 VAL 74 2HG2 VAL 74 4.203 10.007 -5.196 622 3HG2 VAL 74 3HG2 VAL 74 5.615 11.053 -5.338 623 H SER 75 H SER 75 5.477 9.187 -3.665 624 HA SER 75 HA SER 75 8.184 10.211 -2.912 625 1HB SER 75 1HB SER 75 6.663 8.390 -1.440 626 2HB SER 75 2HB SER 75 7.772 7.372 -2.355 627 HG SER 75 HG SER 75 8.659 9.690 -1.010 628 H THR 76 H THR 76 9.834 8.358 -3.728 629 HA THR 76 HA THR 76 9.050 7.781 -6.557 630 HB THR 76 HB THR 76 11.850 7.744 -5.464 631 HG1 THR 76 HG1 THR 76 11.300 9.673 -4.717 632 1HG2 THR 76 1HG2 THR 76 11.530 9.143 -7.922 633 2HG2 THR 76 2HG2 THR 76 10.573 7.665 -8.026 634 3HG2 THR 76 3HG2 THR 76 12.296 7.577 -7.658 635 H GLY 77 H GLY 77 10.215 5.788 -7.459 636 1HA GLY 77 1HA GLY 77 11.027 3.672 -5.658 637 2HA GLY 77 2HA GLY 77 9.376 3.419 -6.230 638 H PHE 78 H PHE 78 10.849 1.455 -7.065 639 HA PHE 78 HA PHE 78 11.327 2.022 -9.945 640 1HB PHE 78 1HB PHE 78 13.362 1.914 -8.029 641 2HB PHE 78 2HB PHE 78 13.398 0.323 -8.790 642 HD1 PHE 78 HD1 PHE 78 15.336 0.464 -10.159 643 HD2 PHE 78 HD2 PHE 78 12.350 3.549 -10.335 644 HE1 PHE 78 HE1 PHE 78 16.460 1.437 -12.143 645 HE2 PHE 78 HE2 PHE 78 13.475 4.524 -12.320 646 HZ PHE 78 HZ PHE 78 15.531 3.467 -13.223 647 H MET 79 H MET 79 10.694 0.280 -11.214 648 HA MET 79 HA MET 79 10.011 -2.275 -9.793 649 1HB MET 79 1HB MET 79 8.563 -0.467 -11.631 650 2HB MET 79 2HB MET 79 8.419 -2.180 -12.027 651 1HG MET 79 1HG MET 79 7.967 -2.436 -9.444 652 2HG MET 79 2HG MET 79 7.537 -0.729 -9.554 653 1HE MET 79 1HE MET 79 5.387 -3.851 -9.281 654 2HE MET 79 2HE MET 79 5.532 -4.446 -10.934 655 3HE MET 79 3HE MET 79 6.983 -4.134 -9.971 656 H SER 80 H SER 80 9.943 -4.165 -11.429 657 HA SER 80 HA SER 80 11.956 -3.811 -13.613 658 1HB SER 80 1HB SER 80 13.370 -5.367 -12.675 659 2HB SER 80 2HB SER 80 12.611 -4.805 -11.189 660 HG SER 80 HG SER 80 12.421 -7.214 -12.476 661 H ILE 81 H ILE 81 10.563 -4.208 -15.340 662 HA ILE 81 HA ILE 81 8.593 -6.407 -15.194 663 HB ILE 81 HB ILE 81 8.001 -4.257 -16.200 664 1HG1 ILE 81 1HG1 ILE 81 8.144 -5.648 -18.740 665 2HG1 ILE 81 2HG1 ILE 81 7.722 -6.771 -17.447 666 1HG2 ILE 81 1HG2 ILE 81 9.559 -3.097 -17.333 667 2HG2 ILE 81 2HG2 ILE 81 9.510 -4.308 -18.614 668 3HG2 ILE 81 3HG2 ILE 81 10.650 -4.481 -17.279 669 1HD1 ILE 81 1HD1 ILE 81 5.936 -5.112 -18.727 670 2HD1 ILE 81 2HD1 ILE 81 6.322 -4.190 -17.275 671 3HD1 ILE 81 3HD1 ILE 81 5.682 -5.827 -17.136 672 1H MET 1 1H MET 1 14.292 0.019 4.278 673 2H MET 1 2H MET 1 15.454 0.904 3.409 674 3H MET 1 3H MET 1 15.219 -0.746 3.080 675 HA MET 1 HA MET 1 13.358 1.494 2.490 676 1HB MET 1 1HB MET 1 15.166 -0.402 1.019 677 2HB MET 1 2HB MET 1 13.733 0.222 0.201 678 1HG MET 1 1HG MET 1 14.459 2.531 0.681 679 2HG MET 1 2HG MET 1 15.891 1.911 1.502 680 1HE MET 1 1HE MET 1 13.890 2.554 -1.364 681 2HE MET 1 2HE MET 1 14.952 2.599 -2.768 682 3HE MET 1 3HE MET 1 14.180 1.083 -2.287 683 H THR 2 H THR 2 11.523 0.521 1.037 684 HA THR 2 HA THR 2 10.402 -1.853 2.471 685 HB THR 2 HB THR 2 8.336 -0.766 1.096 686 HG1 THR 2 HG1 THR 2 8.769 1.175 0.457 687 1HG2 THR 2 1HG2 THR 2 7.805 -0.716 3.290 688 2HG2 THR 2 2HG2 THR 2 8.488 0.911 3.298 689 3HG2 THR 2 3HG2 THR 2 9.484 -0.467 3.771 690 HA PRO 3 HA PRO 3 10.311 -3.646 -1.602 691 1HB PRO 3 1HB PRO 3 9.506 -6.149 -0.865 692 2HB PRO 3 2HB PRO 3 11.118 -5.508 -0.490 693 1HG PRO 3 1HG PRO 3 8.751 -5.819 1.255 694 2HG PRO 3 2HG PRO 3 10.472 -5.943 1.647 695 1HD PRO 3 1HD PRO 3 8.860 -3.758 2.198 696 2HD PRO 3 2HD PRO 3 10.633 -3.733 2.128 697 H ILE 4 H ILE 4 8.823 -4.609 -3.200 698 HA ILE 4 HA ILE 4 5.934 -4.567 -2.462 699 HB ILE 4 HB ILE 4 5.537 -3.094 -4.446 700 1HG1 ILE 4 1HG1 ILE 4 8.431 -2.375 -4.492 701 2HG1 ILE 4 2HG1 ILE 4 7.965 -3.873 -5.298 702 1HG2 ILE 4 1HG2 ILE 4 6.098 -1.088 -3.331 703 2HG2 ILE 4 2HG2 ILE 4 7.562 -1.782 -2.634 704 3HG2 ILE 4 3HG2 ILE 4 5.979 -2.271 -2.029 705 1HD1 ILE 4 1HD1 ILE 4 7.095 -1.058 -5.905 706 2HD1 ILE 4 2HD1 ILE 4 6.081 -2.422 -6.374 707 3HD1 ILE 4 3HD1 ILE 4 7.721 -2.284 -7.006 708 H VAL 5 H VAL 5 4.596 -5.543 -4.229 709 HA VAL 5 HA VAL 5 6.106 -7.186 -6.201 710 HB VAL 5 HB VAL 5 4.201 -8.216 -4.074 711 1HG1 VAL 5 1HG1 VAL 5 5.582 -9.651 -6.364 712 2HG1 VAL 5 2HG1 VAL 5 3.846 -9.384 -6.202 713 3HG1 VAL 5 3HG1 VAL 5 4.684 -10.444 -5.069 714 1HG2 VAL 5 1HG2 VAL 5 6.242 -9.578 -3.458 715 2HG2 VAL 5 2HG2 VAL 5 6.418 -7.845 -3.180 716 3HG2 VAL 5 3HG2 VAL 5 7.165 -8.592 -4.592 717 H HIS 6 H HIS 6 5.036 -7.073 -8.133 718 HA HIS 6 HA HIS 6 2.192 -6.155 -8.119 719 1HB HIS 6 1HB HIS 6 4.601 -5.616 -9.642 720 2HB HIS 6 2HB HIS 6 3.287 -6.103 -10.714 721 HD1 HIS 6 HD1 HIS 6 2.964 -3.669 -11.593 722 HD2 HIS 6 HD2 HIS 6 2.398 -4.069 -7.482 723 HE1 HIS 6 HE1 HIS 6 1.868 -1.524 -10.809 724 H LEU 7 H LEU 7 0.747 -7.812 -8.369 725 HA LEU 7 HA LEU 7 1.517 -10.109 -10.143 726 1HB LEU 7 1HB LEU 7 1.289 -10.688 -7.766 727 2HB LEU 7 2HB LEU 7 -0.314 -9.952 -7.723 728 HG LEU 7 HG LEU 7 -0.407 -11.737 -9.884 729 1HD1 LEU 7 1HD1 LEU 7 1.288 -12.741 -7.624 730 2HD1 LEU 7 2HD1 LEU 7 1.434 -13.052 -9.355 731 3HD1 LEU 7 3HD1 LEU 7 0.180 -13.862 -8.415 732 1HD2 LEU 7 1HD2 LEU 7 -2.340 -11.533 -8.602 733 2HD2 LEU 7 2HD2 LEU 7 -1.464 -11.647 -7.076 734 3HD2 LEU 7 3HD2 LEU 7 -1.741 -13.096 -8.045 735 H LYS 8 H LYS 8 -0.123 -10.841 -11.615 736 HA LYS 8 HA LYS 8 -2.633 -9.229 -11.749 737 1HB LYS 8 1HB LYS 8 -0.781 -8.235 -13.145 738 2HB LYS 8 2HB LYS 8 -0.748 -9.734 -14.074 739 1HG LYS 8 1HG LYS 8 -3.020 -9.411 -14.814 740 2HG LYS 8 2HG LYS 8 -3.237 -8.047 -13.718 741 1HD LYS 8 1HD LYS 8 -2.636 -6.750 -15.476 742 2HD LYS 8 2HD LYS 8 -0.995 -7.315 -15.162 743 1HE LYS 8 1HE LYS 8 -0.963 -8.524 -17.082 744 2HE LYS 8 2HE LYS 8 -2.538 -9.258 -16.717 745 1HZ LYS 8 1HZ LYS 8 -3.365 -6.840 -17.205 746 2HZ LYS 8 2HZ LYS 8 -3.102 -7.931 -18.480 747 3HZ LYS 8 3HZ LYS 8 -1.939 -6.747 -18.117 748 H GLY 9 H GLY 9 -4.103 -10.222 -13.517 749 1HA GLY 9 1HA GLY 9 -4.021 -12.594 -14.793 750 2HA GLY 9 2HA GLY 9 -4.131 -13.149 -13.121 751 H ASP 10 H ASP 10 -6.208 -13.901 -14.647 752 HA ASP 10 HA ASP 10 -8.373 -12.038 -14.916 753 1HB ASP 10 1HB ASP 10 -8.456 -15.036 -14.451 754 2HB ASP 10 2HB ASP 10 -9.674 -14.063 -15.276 755 H ALA 11 H ALA 11 -9.934 -11.394 -13.436 756 HA ALA 11 HA ALA 11 -9.518 -11.391 -10.669 757 1HB ALA 11 1HB ALA 11 -11.701 -10.909 -12.578 758 2HB ALA 11 2HB ALA 11 -12.264 -11.335 -10.962 759 3HB ALA 11 3HB ALA 11 -11.197 -9.949 -11.188 760 H ASN 12 H ASN 12 -10.854 -13.950 -12.657 761 HA ASN 12 HA ASN 12 -12.224 -15.423 -10.606 762 1HB ASN 12 1HB ASN 12 -12.277 -15.579 -13.186 763 2HB ASN 12 2HB ASN 12 -10.835 -16.583 -13.027 764 1HD2 ASN 12 1HD2 ASN 12 -11.321 -18.773 -12.918 765 2HD2 ASN 12 2HD2 ASN 12 -12.744 -19.430 -12.268 766 H THR 13 H THR 13 -9.055 -16.190 -12.129 767 HA THR 13 HA THR 13 -8.274 -18.169 -10.255 768 HB THR 13 HB THR 13 -6.149 -16.440 -11.357 769 HG1 THR 13 HG1 THR 13 -8.149 -17.605 -12.992 770 1HG2 THR 13 1HG2 THR 13 -6.487 -19.097 -10.644 771 2HG2 THR 13 2HG2 THR 13 -5.125 -18.442 -11.553 772 3HG2 THR 13 3HG2 THR 13 -6.498 -19.147 -12.407 773 H LEU 14 H LEU 14 -8.020 -14.647 -10.105 774 HA LEU 14 HA LEU 14 -6.204 -14.506 -7.875 775 1HB LEU 14 1HB LEU 14 -8.325 -12.639 -8.981 776 2HB LEU 14 2HB LEU 14 -7.137 -12.166 -7.765 777 HG LEU 14 HG LEU 14 -6.365 -13.338 -10.446 778 1HD1 LEU 14 1HD1 LEU 14 -7.497 -11.273 -10.934 779 2HD1 LEU 14 2HD1 LEU 14 -5.767 -10.937 -11.002 780 3HD1 LEU 14 3HD1 LEU 14 -6.706 -10.454 -9.589 781 1HD2 LEU 14 1HD2 LEU 14 -4.826 -11.738 -8.376 782 2HD2 LEU 14 2HD2 LEU 14 -4.169 -12.389 -9.878 783 3HD2 LEU 14 3HD2 LEU 14 -4.706 -13.482 -8.603 784 H LYS 15 H LYS 15 -9.702 -14.892 -8.151 785 HA LYS 15 HA LYS 15 -10.477 -14.232 -5.494 786 1HB LYS 15 1HB LYS 15 -11.472 -16.016 -7.698 787 2HB LYS 15 2HB LYS 15 -12.280 -16.056 -6.132 788 1HG LYS 15 1HG LYS 15 -11.737 -13.488 -7.629 789 2HG LYS 15 2HG LYS 15 -13.240 -14.396 -7.804 790 1HD LYS 15 1HD LYS 15 -13.584 -14.248 -5.342 791 2HD LYS 15 2HD LYS 15 -12.130 -13.256 -5.222 792 1HE LYS 15 1HE LYS 15 -13.578 -11.504 -5.490 793 2HE LYS 15 2HE LYS 15 -13.550 -11.958 -7.206 794 1HZ LYS 15 1HZ LYS 15 -15.552 -12.563 -5.159 795 2HZ LYS 15 2HZ LYS 15 -15.255 -13.748 -6.339 796 3HZ LYS 15 3HZ LYS 15 -15.766 -12.195 -6.800 797 H CYS 16 H CYS 16 -9.446 -17.355 -6.881 798 HA CYS 16 HA CYS 16 -9.688 -18.839 -4.414 799 1HB CYS 16 1HB CYS 16 -9.580 -19.575 -6.908 800 2HB CYS 16 2HB CYS 16 -7.832 -19.487 -6.701 801 HG CYS 16 HG CYS 16 -9.548 -21.733 -5.707 802 H LEU 17 H LEU 17 -6.994 -17.102 -5.961 803 HA LEU 17 HA LEU 17 -4.865 -18.047 -4.338 804 1HB LEU 17 1HB LEU 17 -5.489 -15.829 -6.149 805 2HB LEU 17 2HB LEU 17 -4.315 -15.384 -4.911 806 HG LEU 17 HG LEU 17 -2.817 -17.117 -5.555 807 1HD1 LEU 17 1HD1 LEU 17 -4.021 -19.064 -5.884 808 2HD1 LEU 17 2HD1 LEU 17 -3.707 -18.631 -7.565 809 3HD1 LEU 17 3HD1 LEU 17 -5.269 -18.256 -6.835 810 1HD2 LEU 17 1HD2 LEU 17 -3.905 -16.381 -8.254 811 2HD2 LEU 17 2HD2 LEU 17 -2.231 -16.423 -7.702 812 3HD2 LEU 17 3HD2 LEU 17 -3.292 -15.106 -7.202 813 H ARG 18 H ARG 18 -6.726 -15.010 -3.911 814 HA ARG 18 HA ARG 18 -5.680 -14.103 -1.503 815 1HB ARG 18 1HB ARG 18 -7.467 -13.109 -3.021 816 2HB ARG 18 2HB ARG 18 -8.627 -14.150 -2.194 817 1HG ARG 18 1HG ARG 18 -8.398 -13.026 -0.164 818 2HG ARG 18 2HG ARG 18 -6.797 -12.408 -0.571 819 1HD ARG 18 1HD ARG 18 -8.309 -10.535 -0.729 820 2HD ARG 18 2HD ARG 18 -7.960 -11.024 -2.400 821 HE ARG 18 HE ARG 18 -10.272 -11.472 -2.544 822 1HH1 ARG 18 1HH2 ARG 18 -10.765 -10.448 0.279 823 2HH1 ARG 18 2HH2 ARG 18 -11.506 -11.830 1.013 824 1HH2 ARG 18 1HH1 ARG 18 -10.487 -14.030 -1.468 825 2HH2 ARG 18 2HH1 ARG 18 -11.348 -13.858 0.024 826 H TYR 19 H TYR 19 -7.624 -16.955 -2.009 827 HA TYR 19 HA TYR 19 -8.703 -17.278 0.626 828 1HB TYR 19 1HB TYR 19 -9.413 -18.521 -1.384 829 2HB TYR 19 2HB TYR 19 -7.830 -19.293 -1.471 830 HD1 TYR 19 HD1 TYR 19 -10.845 -18.908 0.692 831 HD2 TYR 19 HD2 TYR 19 -7.332 -21.219 -0.195 832 HE1 TYR 19 HE1 TYR 19 -11.610 -20.672 2.258 833 HE2 TYR 19 HE2 TYR 19 -8.097 -22.983 1.372 834 HH TYR 19 HH TYR 19 -9.628 -23.072 3.429 835 H ARG 20 H ARG 20 -5.520 -17.865 -0.733 836 HA ARG 20 HA ARG 20 -4.573 -19.506 1.501 837 1HB ARG 20 1HB ARG 20 -3.429 -18.175 -0.947 838 2HB ARG 20 2HB ARG 20 -2.347 -18.863 0.265 839 1HG ARG 20 1HG ARG 20 -3.484 -21.038 0.059 840 2HG ARG 20 2HG ARG 20 -4.581 -20.356 -1.143 841 1HD ARG 20 1HD ARG 20 -3.049 -20.618 -2.794 842 2HD ARG 20 2HD ARG 20 -1.781 -19.847 -1.820 843 HE ARG 20 HE ARG 20 -1.035 -22.030 -1.343 844 1HH1 ARG 20 1HH2 ARG 20 -4.337 -22.064 -2.287 845 2HH1 ARG 20 2HH2 ARG 20 -4.608 -23.698 -1.781 846 1HH2 ARG 20 1HH1 ARG 20 -1.424 -24.103 -0.470 847 2HH2 ARG 20 2HH1 ARG 20 -2.960 -24.853 -0.753 848 H PHE 21 H PHE 21 -4.538 -16.093 0.590 849 HA PHE 21 HA PHE 21 -2.582 -15.189 2.494 850 1HB PHE 21 1HB PHE 21 -4.978 -13.811 1.234 851 2HB PHE 21 2HB PHE 21 -3.616 -12.989 1.993 852 HD1 PHE 21 HD1 PHE 21 -2.080 -15.732 0.664 853 HD2 PHE 21 HD2 PHE 21 -4.061 -12.155 -0.663 854 HE1 PHE 21 HE1 PHE 21 -0.829 -15.833 -1.474 855 HE2 PHE 21 HE2 PHE 21 -2.809 -12.258 -2.801 856 HZ PHE 21 HZ PHE 21 -1.194 -14.096 -3.207 857 H LYS 22 H LYS 22 -5.808 -16.321 2.865 858 HA LYS 22 HA LYS 22 -6.691 -14.796 5.119 859 1HB LYS 22 1HB LYS 22 -7.221 -17.631 4.177 860 2HB LYS 22 2HB LYS 22 -8.157 -16.829 5.437 861 1HG LYS 22 1HG LYS 22 -7.783 -15.616 2.694 862 2HG LYS 22 2HG LYS 22 -9.119 -16.707 3.066 863 1HD LYS 22 1HD LYS 22 -10.251 -14.954 3.909 864 2HD LYS 22 2HD LYS 22 -9.031 -14.827 5.176 865 1HE LYS 22 1HE LYS 22 -7.790 -13.202 3.988 866 2HE LYS 22 2HE LYS 22 -8.571 -13.610 2.447 867 1HZ LYS 22 1HZ LYS 22 -9.853 -11.842 3.028 868 2HZ LYS 22 2HZ LYS 22 -9.599 -12.048 4.693 869 3HZ LYS 22 3HZ LYS 22 -10.706 -13.040 3.871 870 H LYS 23 H LYS 23 -5.217 -18.071 5.044 871 HA LYS 23 HA LYS 23 -4.805 -18.123 7.923 872 1HB LYS 23 1HB LYS 23 -4.166 -19.792 5.522 873 2HB LYS 23 2HB LYS 23 -3.295 -20.127 7.020 874 1HG LYS 23 1HG LYS 23 -5.336 -21.499 6.886 875 2HG LYS 23 2HG LYS 23 -5.450 -20.346 8.217 876 1HD LYS 23 1HD LYS 23 -7.149 -19.191 7.236 877 2HD LYS 23 2HD LYS 23 -6.445 -19.337 5.625 878 1HE LYS 23 1HE LYS 23 -7.500 -21.360 5.197 879 2HE LYS 23 2HE LYS 23 -7.556 -21.810 6.913 880 1HZ LYS 23 1HZ LYS 23 -9.445 -20.299 5.383 881 2HZ LYS 23 2HZ LYS 23 -8.947 -19.461 6.774 882 3HZ LYS 23 3HZ LYS 23 -9.625 -21.012 6.910 883 H HIS 24 H HIS 24 -2.972 -16.983 5.182 884 HA HIS 24 HA HIS 24 -0.445 -16.874 6.741 885 1HB HIS 24 1HB HIS 24 -1.051 -15.958 3.916 886 2HB HIS 24 2HB HIS 24 0.530 -16.336 4.599 887 HD1 HIS 24 HD1 HIS 24 -0.013 -17.940 2.201 888 HD2 HIS 24 HD2 HIS 24 -1.470 -19.130 5.921 889 HE1 HIS 24 HE1 HIS 24 -0.471 -20.425 2.029 890 H CYS 25 H CYS 25 -2.645 -15.203 7.651 891 HA CYS 25 HA CYS 25 -2.614 -12.532 6.713 892 1HB CYS 25 1HB CYS 25 -3.566 -12.049 8.905 893 2HB CYS 25 2HB CYS 25 -4.168 -13.616 8.367 894 HG CYS 25 HG CYS 25 -1.773 -13.400 10.372 895 H THR 26 H THR 26 -0.266 -14.275 8.655 896 HA THR 26 HA THR 26 1.163 -11.759 9.353 897 HB THR 26 HB THR 26 0.687 -13.609 10.999 898 HG1 THR 26 HG1 THR 26 2.605 -13.318 11.944 899 1HG2 THR 26 1HG2 THR 26 1.070 -15.432 9.280 900 2HG2 THR 26 2HG2 THR 26 1.864 -15.694 10.832 901 3HG2 THR 26 3HG2 THR 26 2.797 -15.123 9.450 902 H LEU 27 H LEU 27 1.038 -13.476 6.630 903 HA LEU 27 HA LEU 27 3.944 -13.895 6.226 904 1HB LEU 27 1HB LEU 27 1.380 -14.711 5.018 905 2HB LEU 27 2HB LEU 27 2.665 -14.408 3.847 906 HG LEU 27 HG LEU 27 4.152 -15.849 5.387 907 1HD1 LEU 27 1HD1 LEU 27 3.210 -16.614 7.280 908 2HD1 LEU 27 2HD1 LEU 27 2.049 -17.523 6.312 909 3HD1 LEU 27 3HD1 LEU 27 1.669 -15.881 6.833 910 1HD2 LEU 27 1HD2 LEU 27 2.549 -17.929 4.483 911 2HD2 LEU 27 2HD2 LEU 27 3.798 -17.115 3.542 912 3HD2 LEU 27 3HD2 LEU 27 2.117 -16.594 3.414 913 H TYR 28 H TYR 28 1.355 -11.700 5.221 914 HA TYR 28 HA TYR 28 3.354 -10.138 3.624 915 1HB TYR 28 1HB TYR 28 1.312 -9.274 2.472 916 2HB TYR 28 2HB TYR 28 1.446 -11.029 2.358 917 HD1 TYR 28 HD1 TYR 28 -0.007 -12.499 3.702 918 HD2 TYR 28 HD2 TYR 28 -0.412 -8.223 3.824 919 HE1 TYR 28 HE1 TYR 28 -2.223 -12.741 4.789 920 HE2 TYR 28 HE2 TYR 28 -2.628 -8.465 4.913 921 HH TYR 28 HH TYR 28 -3.992 -11.690 5.604 922 H THR 29 H THR 29 2.755 -7.670 3.679 923 HA THR 29 HA THR 29 2.317 -6.937 6.535 924 HB THR 29 HB THR 29 3.425 -5.376 4.180 925 HG1 THR 29 HG1 THR 29 4.539 -7.108 6.072 926 1HG2 THR 29 1HG2 THR 29 3.053 -3.668 5.636 927 2HG2 THR 29 2HG2 THR 29 4.484 -4.297 6.452 928 3HG2 THR 29 3HG2 THR 29 2.876 -4.754 7.014 929 H ALA 30 H ALA 30 1.114 -6.231 3.254 930 HA ALA 30 HA ALA 30 -1.426 -5.286 4.387 931 1HB ALA 30 1HB ALA 30 0.096 -3.352 2.657 932 2HB ALA 30 2HB ALA 30 -1.194 -3.025 3.814 933 3HB ALA 30 3HB ALA 30 0.425 -3.425 4.388 934 H VAL 31 H VAL 31 -2.932 -6.132 3.013 935 HA VAL 31 HA VAL 31 -2.190 -6.854 0.247 936 HB VAL 31 HB VAL 31 -3.477 -8.355 1.745 937 1HG1 VAL 31 1HG1 VAL 31 -5.216 -7.607 2.973 938 2HG1 VAL 31 2HG1 VAL 31 -6.005 -6.928 1.549 939 3HG1 VAL 31 3HG1 VAL 31 -4.803 -5.982 2.426 940 1HG2 VAL 31 1HG2 VAL 31 -4.536 -7.340 -0.842 941 2HG2 VAL 31 2HG2 VAL 31 -5.629 -8.351 0.103 942 3HG2 VAL 31 3HG2 VAL 31 -4.055 -8.975 -0.387 943 H SER 32 H SER 32 -2.245 -5.153 -1.175 944 HA SER 32 HA SER 32 -3.797 -2.768 -0.894 945 1HB SER 32 1HB SER 32 -2.057 -2.444 -2.337 946 2HB SER 32 2HB SER 32 -2.067 -4.123 -2.869 947 HG SER 32 HG SER 32 -3.747 -3.661 -4.241 948 H SER 33 H SER 33 -5.753 -2.142 -1.886 949 HA SER 33 HA SER 33 -7.791 -4.100 -2.285 950 1HB SER 33 1HB SER 33 -9.047 -2.124 -3.137 951 2HB SER 33 2HB SER 33 -8.166 -1.751 -1.660 952 HG SER 33 HG SER 33 -6.521 -1.322 -3.678 953 H THR 34 H THR 34 -8.960 -4.486 -4.363 954 HA THR 34 HA THR 34 -7.194 -5.326 -6.475 955 HB THR 34 HB THR 34 -9.759 -5.255 -7.502 956 HG1 THR 34 HG1 THR 34 -10.920 -4.635 -5.860 957 1HG2 THR 34 1HG2 THR 34 -8.419 -7.254 -5.669 958 2HG2 THR 34 2HG2 THR 34 -8.413 -7.251 -7.432 959 3HG2 THR 34 3HG2 THR 34 -9.905 -7.593 -6.555 960 H TRP 35 H TRP 35 -6.201 -3.890 -7.862 961 HA TRP 35 HA TRP 35 -7.862 -1.765 -9.120 962 1HB TRP 35 1HB TRP 35 -6.429 -0.023 -8.417 963 2HB TRP 35 2HB TRP 35 -6.565 -1.037 -6.982 964 HD1 TRP 35 HD1 TRP 35 -4.428 -2.236 -6.121 965 HE1 TRP 35 HE1 TRP 35 -1.948 -2.188 -6.824 966 HE3 TRP 35 HE3 TRP 35 -4.822 0.221 -10.582 967 HZ2 TRP 35 HZ2 TRP 35 -0.344 -1.235 -8.992 968 HZ3 TRP 35 HZ3 TRP 35 -2.804 0.686 -11.945 969 HH2 TRP 35 HH2 TRP 35 -0.566 -0.039 -11.155 970 H HIS 36 H HIS 36 -6.576 -0.756 -10.999 971 HA HIS 36 HA HIS 36 -4.290 -2.288 -12.015 972 1HB HIS 36 1HB HIS 36 -5.710 -2.932 -14.086 973 2HB HIS 36 2HB HIS 36 -5.955 -3.864 -12.609 974 HD1 HIS 36 HD1 HIS 36 -8.091 -3.203 -11.146 975 HD2 HIS 36 HD2 HIS 36 -7.964 -1.519 -14.957 976 HE1 HIS 36 HE1 HIS 36 -10.423 -2.340 -11.627 977 H TRP 37 H TRP 37 -3.962 -1.570 -14.450 978 HA TRP 37 HA TRP 37 -3.882 1.359 -14.461 979 1HB TRP 37 1HB TRP 37 -3.088 -0.790 -16.454 980 2HB TRP 37 2HB TRP 37 -2.707 0.922 -16.636 981 HD1 TRP 37 HD1 TRP 37 -1.251 -2.139 -15.353 982 HE1 TRP 37 HE1 TRP 37 0.670 -1.656 -13.702 983 HE3 TRP 37 HE3 TRP 37 -2.084 2.820 -14.460 984 HZ2 TRP 37 HZ2 TRP 37 1.715 0.546 -12.200 985 HZ3 TRP 37 HZ3 TRP 37 -0.613 4.085 -12.917 986 HH2 TRP 37 HH2 TRP 37 1.283 2.955 -11.787 987 H THR 38 H THR 38 -5.486 2.628 -15.299 988 HA THR 38 HA THR 38 -6.946 1.849 -17.715 989 HB THR 38 HB THR 38 -8.066 0.514 -15.982 990 HG1 THR 38 HG1 THR 38 -10.010 1.092 -16.628 991 1HG2 THR 38 1HG2 THR 38 -9.357 2.023 -14.241 992 2HG2 THR 38 2HG2 THR 38 -8.039 3.150 -14.562 993 3HG2 THR 38 3HG2 THR 38 -7.689 1.539 -13.936 994 H GLY 39 H GLY 39 -8.138 3.643 -18.576 995 1HA GLY 39 1HA GLY 39 -7.603 6.232 -17.179 996 2HA GLY 39 2HA GLY 39 -7.713 6.062 -18.932 997 H HIS 40 H HIS 40 -9.801 5.779 -19.890 998 HA HIS 40 HA HIS 40 -12.194 5.824 -18.165 999 1HB HIS 40 1HB HIS 40 -11.296 8.169 -18.254 1000 2HB HIS 40 2HB HIS 40 -11.501 8.137 -20.005 1001 HD1 HIS 40 HD1 HIS 40 -13.655 7.483 -16.916 1002 HD2 HIS 40 HD2 HIS 40 -13.994 9.034 -20.771 1003 HE1 HIS 40 HE1 HIS 40 -16.041 8.300 -17.151 1004 H ASN 41 H ASN 41 -10.887 6.246 -21.460 1005 HA ASN 41 HA ASN 41 -13.249 4.708 -22.495 1006 1HB ASN 41 1HB ASN 41 -12.525 7.314 -23.004 1007 2HB ASN 41 2HB ASN 41 -11.759 6.460 -24.343 1008 1HD2 ASN 41 1HD2 ASN 41 -14.906 6.061 -22.601 1009 2HD2 ASN 41 2HD2 ASN 41 -15.845 6.023 -24.016 1010 H VAL 42 H VAL 42 -11.198 3.136 -21.685 1011 HA VAL 42 HA VAL 42 -9.785 2.427 -24.235 1012 HB VAL 42 HB VAL 42 -7.802 1.999 -22.939 1013 1HG1 VAL 42 1HG1 VAL 42 -8.396 4.408 -23.432 1014 2HG1 VAL 42 2HG1 VAL 42 -7.317 4.190 -22.054 1015 3HG1 VAL 42 3HG1 VAL 42 -9.031 4.519 -21.791 1016 1HG2 VAL 42 1HG2 VAL 42 -7.760 2.069 -20.517 1017 2HG2 VAL 42 2HG2 VAL 42 -9.067 0.988 -21.004 1018 3HG2 VAL 42 3HG2 VAL 42 -9.433 2.625 -20.460 1019 H LYS 43 H LYS 43 -8.557 0.097 -23.049 1020 HA LYS 43 HA LYS 43 -10.939 -1.685 -22.951 1021 1HB LYS 43 1HB LYS 43 -9.377 -3.379 -23.620 1022 2HB LYS 43 2HB LYS 43 -8.944 -1.934 -24.535 1023 1HG LYS 43 1HG LYS 43 -7.213 -1.398 -22.836 1024 2HG LYS 43 2HG LYS 43 -7.622 -2.881 -21.974 1025 1HD LYS 43 1HD LYS 43 -6.569 -4.215 -23.498 1026 2HD LYS 43 2HD LYS 43 -7.054 -3.208 -24.862 1027 1HE LYS 43 1HE LYS 43 -5.335 -1.539 -24.261 1028 2HE LYS 43 2HE LYS 43 -4.844 -2.543 -22.882 1029 1HZ LYS 43 1HZ LYS 43 -4.823 -3.339 -25.745 1030 2HZ LYS 43 2HZ LYS 43 -4.490 -4.388 -24.450 1031 3HZ LYS 43 3HZ LYS 43 -3.464 -3.073 -24.766 1032 H HIS 44 H HIS 44 -11.533 -2.675 -21.054 1033 HA HIS 44 HA HIS 44 -10.529 -1.976 -18.517 1034 1HB HIS 44 1HB HIS 44 -12.033 -4.344 -19.633 1035 2HB HIS 44 2HB HIS 44 -11.667 -4.232 -17.910 1036 HD1 HIS 44 HD1 HIS 44 -14.050 -3.084 -20.427 1037 HD2 HIS 44 HD2 HIS 44 -12.738 -1.722 -16.711 1038 HE1 HIS 44 HE1 HIS 44 -15.758 -1.388 -19.641 1039 H LYS 45 H LYS 45 -8.977 -2.918 -17.142 1040 HA LYS 45 HA LYS 45 -7.140 -4.904 -18.436 1041 1HB LYS 45 1HB LYS 45 -6.510 -2.434 -17.800 1042 2HB LYS 45 2HB LYS 45 -6.426 -3.072 -16.158 1043 1HG LYS 45 1HG LYS 45 -4.275 -3.564 -16.748 1044 2HG LYS 45 2HG LYS 45 -5.024 -4.981 -17.484 1045 1HD LYS 45 1HD LYS 45 -5.081 -3.940 -19.643 1046 2HD LYS 45 2HD LYS 45 -4.651 -2.369 -18.965 1047 1HE LYS 45 1HE LYS 45 -2.603 -4.118 -18.123 1048 2HE LYS 45 2HE LYS 45 -2.886 -4.496 -19.834 1049 1HZ LYS 45 1HZ LYS 45 -2.560 -1.761 -18.715 1050 2HZ LYS 45 2HZ LYS 45 -2.802 -2.149 -20.351 1051 3HZ LYS 45 3HZ LYS 45 -1.366 -2.610 -19.570 1052 H SER 46 H SER 46 -6.499 -6.706 -17.197 1053 HA SER 46 HA SER 46 -8.263 -7.772 -15.255 1054 1HB SER 46 1HB SER 46 -5.316 -8.293 -15.759 1055 2HB SER 46 2HB SER 46 -6.400 -9.378 -14.895 1056 HG SER 46 HG SER 46 -7.711 -9.113 -16.961 1057 H ALA 47 H ALA 47 -8.626 -6.948 -13.237 1058 HA ALA 47 HA ALA 47 -7.366 -4.991 -11.808 1059 1HB ALA 47 1HB ALA 47 -9.251 -5.829 -10.766 1060 2HB ALA 47 2HB ALA 47 -8.818 -7.504 -11.112 1061 3HB ALA 47 3HB ALA 47 -8.027 -6.645 -9.790 1062 H ILE 48 H ILE 48 -5.740 -5.014 -10.076 1063 HA ILE 48 HA ILE 48 -3.823 -7.305 -10.170 1064 HB ILE 48 HB ILE 48 -3.112 -4.367 -10.424 1065 1HG1 ILE 48 1HG1 ILE 48 -3.141 -6.475 -12.605 1066 2HG1 ILE 48 2HG1 ILE 48 -4.430 -5.289 -12.381 1067 1HG2 ILE 48 1HG2 ILE 48 -1.528 -6.390 -9.584 1068 2HG2 ILE 48 2HG2 ILE 48 -0.923 -5.031 -10.531 1069 3HG2 ILE 48 3HG2 ILE 48 -1.316 -6.554 -11.328 1070 1HD1 ILE 48 1HD1 ILE 48 -1.559 -4.819 -13.172 1071 2HD1 ILE 48 2HD1 ILE 48 -2.524 -3.527 -12.461 1072 3HD1 ILE 48 3HD1 ILE 48 -3.028 -4.271 -13.978 1073 H VAL 49 H VAL 49 -3.130 -7.822 -8.124 1074 HA VAL 49 HA VAL 49 -3.717 -5.878 -5.921 1075 HB VAL 49 HB VAL 49 -3.502 -8.896 -6.081 1076 1HG1 VAL 49 1HG1 VAL 49 -2.509 -7.926 -3.964 1077 2HG1 VAL 49 2HG1 VAL 49 -3.895 -8.984 -3.705 1078 3HG1 VAL 49 3HG1 VAL 49 -4.094 -7.234 -3.619 1079 1HG2 VAL 49 1HG2 VAL 49 -5.637 -8.192 -6.832 1080 2HG2 VAL 49 2HG2 VAL 49 -5.728 -6.906 -5.629 1081 3HG2 VAL 49 3HG2 VAL 49 -5.888 -8.591 -5.133 1082 H THR 50 H THR 50 -1.880 -4.855 -5.218 1083 HA THR 50 HA THR 50 0.766 -6.164 -5.551 1084 HB THR 50 HB THR 50 -0.109 -3.408 -4.615 1085 HG1 THR 50 HG1 THR 50 0.125 -2.832 -6.659 1086 1HG2 THR 50 1HG2 THR 50 2.270 -2.807 -5.038 1087 2HG2 THR 50 2HG2 THR 50 2.622 -4.511 -5.328 1088 3HG2 THR 50 3HG2 THR 50 2.093 -3.979 -3.731 1089 H LEU 51 H LEU 51 2.185 -6.442 -3.684 1090 HA LEU 51 HA LEU 51 0.815 -6.283 -1.025 1091 1HB LEU 51 1HB LEU 51 2.225 -8.605 -2.360 1092 2HB LEU 51 2HB LEU 51 1.928 -8.560 -0.621 1093 HG LEU 51 HG LEU 51 -0.539 -7.895 -1.566 1094 1HD1 LEU 51 1HD1 LEU 51 -0.635 -8.340 -3.780 1095 2HD1 LEU 51 2HD1 LEU 51 -0.518 -10.044 -3.340 1096 3HD1 LEU 51 3HD1 LEU 51 0.938 -9.140 -3.760 1097 1HD2 LEU 51 1HD2 LEU 51 -1.192 -9.990 -0.755 1098 2HD2 LEU 51 2HD2 LEU 51 0.378 -9.785 0.020 1099 3HD2 LEU 51 3HD2 LEU 51 0.229 -10.800 -1.415 1100 H THR 52 H THR 52 2.127 -5.369 0.507 1101 HA THR 52 HA THR 52 4.974 -4.845 -0.196 1102 HB THR 52 HB THR 52 4.786 -3.064 1.370 1103 HG1 THR 52 HG1 THR 52 3.851 -3.558 3.167 1104 1HG2 THR 52 1HG2 THR 52 3.205 -3.061 -0.725 1105 2HG2 THR 52 2HG2 THR 52 3.010 -1.821 0.514 1106 3HG2 THR 52 3HG2 THR 52 1.924 -3.210 0.478 1107 H TYR 53 H TYR 53 6.639 -5.844 0.927 1108 HA TYR 53 HA TYR 53 5.855 -7.674 3.168 1109 1HB TYR 53 1HB TYR 53 8.135 -7.694 1.166 1110 2HB TYR 53 2HB TYR 53 7.953 -8.872 2.464 1111 HD1 TYR 53 HD1 TYR 53 6.444 -7.557 -0.656 1112 HD2 TYR 53 HD2 TYR 53 6.296 -10.620 2.356 1113 HE1 TYR 53 HE1 TYR 53 4.880 -8.868 -2.066 1114 HE2 TYR 53 HE2 TYR 53 4.733 -11.930 0.945 1115 HH TYR 53 HH TYR 53 3.102 -11.491 -0.881 1116 H ASP 54 H ASP 54 7.140 -7.651 5.076 1117 HA ASP 54 HA ASP 54 8.499 -5.114 5.648 1118 1HB ASP 54 1HB ASP 54 7.862 -7.644 7.188 1119 2HB ASP 54 2HB ASP 54 8.719 -6.284 7.913 1120 H SER 55 H SER 55 9.441 -8.103 4.343 1121 HA SER 55 HA SER 55 12.281 -7.386 4.530 1122 1HB SER 55 1HB SER 55 12.692 -8.609 6.386 1123 2HB SER 55 2HB SER 55 10.997 -9.077 6.469 1124 HG SER 55 HG SER 55 12.754 -10.757 6.144 1125 H GLU 56 H GLU 56 13.376 -8.278 2.784 1126 HA GLU 56 HA GLU 56 12.025 -9.436 0.592 1127 1HB GLU 56 1HB GLU 56 14.891 -9.383 1.546 1128 2HB GLU 56 2HB GLU 56 14.454 -10.146 0.017 1129 1HG GLU 56 1HG GLU 56 13.641 -7.316 0.711 1130 2HG GLU 56 2HG GLU 56 15.145 -7.692 -0.130 1131 H TRP 57 H TRP 57 13.754 -11.005 3.279 1132 HA TRP 57 HA TRP 57 13.769 -13.681 2.400 1133 1HB TRP 57 1HB TRP 57 14.458 -12.283 4.635 1134 2HB TRP 57 2HB TRP 57 13.041 -13.147 5.228 1135 HD1 TRP 57 HD1 TRP 57 13.183 -15.748 5.472 1136 HE1 TRP 57 HE1 TRP 57 15.146 -17.418 5.381 1137 HE3 TRP 57 HE3 TRP 57 16.797 -12.754 3.456 1138 HZ2 TRP 57 HZ2 TRP 57 17.887 -17.476 4.561 1139 HZ3 TRP 57 HZ3 TRP 57 19.072 -13.641 3.030 1140 HH2 TRP 57 HH2 TRP 57 19.620 -15.996 3.580 1141 H GLN 58 H GLN 58 11.239 -12.049 4.340 1142 HA GLN 58 HA GLN 58 9.389 -14.176 4.480 1143 1HB GLN 58 1HB GLN 58 9.384 -11.980 5.697 1144 2HB GLN 58 2HB GLN 58 8.831 -11.207 4.212 1145 1HG GLN 58 1HG GLN 58 6.875 -12.816 4.217 1146 2HG GLN 58 2HG GLN 58 7.383 -13.317 5.831 1147 1HE2 GLN 58 1HE2 GLN 58 5.373 -12.402 6.748 1148 2HE2 GLN 58 2HE2 GLN 58 5.193 -10.723 6.921 1149 H ARG 59 H ARG 59 9.743 -11.679 1.932 1150 HA ARG 59 HA ARG 59 7.446 -12.353 0.395 1151 1HB ARG 59 1HB ARG 59 8.947 -10.363 0.144 1152 2HB ARG 59 2HB ARG 59 10.179 -11.422 -0.544 1153 1HG ARG 59 1HG ARG 59 8.255 -12.137 -2.183 1154 2HG ARG 59 2HG ARG 59 7.531 -10.603 -1.702 1155 1HD ARG 59 1HD ARG 59 9.149 -9.352 -2.767 1156 2HD ARG 59 2HD ARG 59 10.422 -10.549 -2.457 1157 HE ARG 59 HE ARG 59 8.250 -11.023 -4.465 1158 1HH1 ARG 59 1HH2 ARG 59 11.062 -12.250 -3.111 1159 2HH1 ARG 59 2HH2 ARG 59 11.852 -12.588 -4.615 1160 1HH2 ARG 59 1HH1 ARG 59 9.455 -10.981 -6.538 1161 2HH2 ARG 59 2HH1 ARG 59 10.942 -11.869 -6.555 1162 H ASP 60 H ASP 60 10.701 -13.776 0.448 1163 HA ASP 60 HA ASP 60 10.489 -15.429 -1.864 1164 1HB ASP 60 1HB ASP 60 12.495 -14.824 -0.396 1165 2HB ASP 60 2HB ASP 60 11.939 -16.080 0.711 1166 H GLN 61 H GLN 61 9.687 -16.146 1.558 1167 HA GLN 61 HA GLN 61 8.917 -18.875 1.129 1168 1HB GLN 61 1HB GLN 61 8.180 -16.781 3.193 1169 2HB GLN 61 2HB GLN 61 7.750 -18.485 3.344 1170 1HG GLN 61 1HG GLN 61 10.098 -19.130 3.301 1171 2HG GLN 61 2HG GLN 61 10.583 -17.459 3.009 1172 1HE2 GLN 61 1HE2 GLN 61 10.345 -15.915 4.798 1173 2HE2 GLN 61 2HE2 GLN 61 10.148 -16.452 6.395 1174 H PHE 62 H PHE 62 7.056 -15.838 1.046 1175 HA PHE 62 HA PHE 62 4.438 -16.869 0.904 1176 1HB PHE 62 1HB PHE 62 4.711 -14.540 1.110 1177 2HB PHE 62 2HB PHE 62 5.883 -14.469 -0.206 1178 HD1 PHE 62 HD1 PHE 62 2.340 -14.469 0.686 1179 HD2 PHE 62 HD2 PHE 62 5.137 -14.680 -2.568 1180 HE1 PHE 62 HE1 PHE 62 0.519 -13.937 -0.914 1181 HE2 PHE 62 HE2 PHE 62 3.317 -14.149 -4.168 1182 HZ PHE 62 HZ PHE 62 1.008 -13.778 -3.341 1183 H LEU 63 H LEU 63 6.708 -16.223 -1.794 1184 HA LEU 63 HA LEU 63 5.032 -17.091 -3.921 1185 1HB LEU 63 1HB LEU 63 8.033 -17.108 -3.489 1186 2HB LEU 63 2HB LEU 63 7.278 -17.414 -5.053 1187 HG LEU 63 HG LEU 63 6.769 -14.918 -3.415 1188 1HD1 LEU 63 1HD1 LEU 63 8.220 -14.279 -5.735 1189 2HD1 LEU 63 2HD1 LEU 63 9.052 -15.671 -5.039 1190 3HD1 LEU 63 3HD1 LEU 63 8.806 -14.216 -4.072 1191 1HD2 LEU 63 1HD2 LEU 63 4.993 -15.115 -4.917 1192 2HD2 LEU 63 2HD2 LEU 63 5.978 -15.936 -6.128 1193 3HD2 LEU 63 3HD2 LEU 63 6.155 -14.199 -5.879 1194 H SER 64 H SER 64 6.888 -18.908 -1.566 1195 HA SER 64 HA SER 64 6.809 -21.429 -3.059 1196 1HB SER 64 1HB SER 64 8.268 -20.317 -0.979 1197 2HB SER 64 2HB SER 64 7.267 -21.513 -0.160 1198 HG SER 64 HG SER 64 9.276 -21.834 -2.061 1199 H GLN 65 H GLN 65 4.712 -19.742 -0.850 1200 HA GLN 65 HA GLN 65 3.189 -22.213 -0.201 1201 1HB GLN 65 1HB GLN 65 2.735 -19.336 0.642 1202 2HB GLN 65 2HB GLN 65 2.109 -20.786 1.426 1203 1HG GLN 65 1HG GLN 65 5.062 -20.198 1.130 1204 2HG GLN 65 2HG GLN 65 4.128 -19.771 2.562 1205 1HE2 GLN 65 1HE2 GLN 65 4.664 -21.298 4.138 1206 2HE2 GLN 65 2HE2 GLN 65 4.704 -22.976 3.885 1207 H VAL 66 H VAL 66 3.094 -19.489 -2.350 1208 HA VAL 66 HA VAL 66 0.210 -19.979 -2.963 1209 HB VAL 66 HB VAL 66 0.392 -17.779 -4.080 1210 1HG1 VAL 66 1HG1 VAL 66 1.395 -18.091 -1.256 1211 2HG1 VAL 66 2HG1 VAL 66 -0.193 -17.561 -1.811 1212 3HG1 VAL 66 3HG1 VAL 66 1.198 -16.490 -1.968 1213 1HG2 VAL 66 1HG2 VAL 66 2.416 -17.148 -4.845 1214 2HG2 VAL 66 2HG2 VAL 66 3.206 -18.436 -3.938 1215 3HG2 VAL 66 3HG2 VAL 66 2.910 -16.875 -3.175 1216 H LYS 67 H LYS 67 -0.132 -21.358 -4.655 1217 HA LYS 67 HA LYS 67 1.980 -22.044 -6.550 1218 1HB LYS 67 1HB LYS 67 0.337 -23.666 -5.741 1219 2HB LYS 67 2HB LYS 67 -0.982 -22.681 -6.372 1220 1HG LYS 67 1HG LYS 67 -0.659 -23.394 -8.508 1221 2HG LYS 67 2HG LYS 67 1.098 -23.352 -8.355 1222 1HD LYS 67 1HD LYS 67 1.156 -25.480 -7.279 1223 2HD LYS 67 2HD LYS 67 -0.587 -25.473 -7.013 1224 1HE LYS 67 1HE LYS 67 0.281 -25.215 -9.848 1225 2HE LYS 67 2HE LYS 67 0.553 -26.794 -9.085 1226 1HZ LYS 67 1HZ LYS 67 -1.952 -25.408 -9.628 1227 2HZ LYS 67 2HZ LYS 67 -1.854 -26.219 -8.137 1228 3HZ LYS 67 3HZ LYS 67 -1.621 -27.071 -9.587 1229 H ILE 68 H ILE 68 2.481 -20.635 -8.190 1230 HA ILE 68 HA ILE 68 0.460 -18.756 -9.230 1231 HB ILE 68 HB ILE 68 3.075 -18.552 -8.679 1232 1HG1 ILE 68 1HG1 ILE 68 3.126 -16.692 -10.434 1233 2HG1 ILE 68 2HG1 ILE 68 1.510 -17.223 -10.896 1234 1HG2 ILE 68 1HG2 ILE 68 4.412 -18.689 -10.733 1235 2HG2 ILE 68 2HG2 ILE 68 3.005 -19.265 -11.626 1236 3HG2 ILE 68 3HG2 ILE 68 3.713 -20.264 -10.357 1237 1HD1 ILE 68 1HD1 ILE 68 1.446 -17.062 -8.096 1238 2HD1 ILE 68 2HD1 ILE 68 0.706 -15.934 -9.231 1239 3HD1 ILE 68 3HD1 ILE 68 2.328 -15.626 -8.613 1240 HA PRO 69 HA PRO 69 -0.085 -21.465 -12.699 1241 1HB PRO 69 1HB PRO 69 -2.278 -20.232 -13.769 1242 2HB PRO 69 2HB PRO 69 -2.357 -21.251 -12.319 1243 1HG PRO 69 1HG PRO 69 -2.318 -18.288 -12.549 1244 2HG PRO 69 2HG PRO 69 -3.219 -19.324 -11.431 1245 1HD PRO 69 1HD PRO 69 -0.945 -17.977 -10.749 1246 2HD PRO 69 2HD PRO 69 -1.480 -19.476 -9.962 1247 H LYS 70 H LYS 70 0.012 -21.311 -15.089 1248 HA LYS 70 HA LYS 70 1.909 -19.431 -16.067 1249 1HB LYS 70 1HB LYS 70 -0.093 -21.334 -17.271 1250 2HB LYS 70 2HB LYS 70 0.897 -20.313 -18.312 1251 1HG LYS 70 1HG LYS 70 2.497 -21.897 -18.131 1252 2HG LYS 70 2HG LYS 70 2.719 -21.335 -16.473 1253 1HD LYS 70 1HD LYS 70 1.491 -23.074 -15.570 1254 2HD LYS 70 2HD LYS 70 0.502 -23.267 -17.017 1255 1HE LYS 70 1HE LYS 70 2.786 -23.998 -18.130 1256 2HE LYS 70 2HE LYS 70 3.250 -24.343 -16.453 1257 1HZ LYS 70 1HZ LYS 70 1.435 -25.757 -18.125 1258 2HZ LYS 70 2HZ LYS 70 0.651 -25.229 -16.713 1259 3HZ LYS 70 3HZ LYS 70 2.046 -26.192 -16.605 1260 H THR 71 H THR 71 -1.438 -19.046 -15.439 1261 HA THR 71 HA THR 71 -1.912 -16.976 -17.473 1262 HB THR 71 HB THR 71 -3.490 -17.908 -15.051 1263 HG1 THR 71 HG1 THR 71 -4.633 -19.077 -16.682 1264 1HG2 THR 71 1HG2 THR 71 -4.796 -16.134 -15.524 1265 2HG2 THR 71 2HG2 THR 71 -5.222 -16.964 -17.020 1266 3HG2 THR 71 3HG2 THR 71 -3.906 -15.790 -17.007 1267 H ILE 72 H ILE 72 -1.295 -17.135 -13.965 1268 HA ILE 72 HA ILE 72 -1.403 -14.179 -13.758 1269 HB ILE 72 HB ILE 72 -0.962 -16.437 -11.779 1270 1HG1 ILE 72 1HG1 ILE 72 -3.350 -14.624 -12.269 1271 2HG1 ILE 72 2HG1 ILE 72 -3.229 -16.300 -12.808 1272 1HG2 ILE 72 1HG2 ILE 72 -0.150 -13.842 -11.441 1273 2HG2 ILE 72 2HG2 ILE 72 -0.632 -14.910 -10.124 1274 3HG2 ILE 72 3HG2 ILE 72 -1.795 -13.776 -10.810 1275 1HD1 ILE 72 1HD1 ILE 72 -2.966 -15.453 -9.911 1276 2HD1 ILE 72 2HD1 ILE 72 -3.107 -17.097 -10.534 1277 3HD1 ILE 72 3HD1 ILE 72 -4.481 -15.996 -10.634 1278 H THR 73 H THR 73 0.441 -12.942 -13.134 1279 HA THR 73 HA THR 73 3.067 -14.345 -13.007 1280 HB THR 73 HB THR 73 2.451 -12.024 -14.860 1281 HG1 THR 73 HG1 THR 73 2.985 -14.113 -16.270 1282 1HG2 THR 73 1HG2 THR 73 4.636 -12.980 -15.896 1283 2HG2 THR 73 2HG2 THR 73 4.842 -13.776 -14.335 1284 3HG2 THR 73 3HG2 THR 73 4.761 -12.017 -14.423 1285 H VAL 74 H VAL 74 4.709 -13.032 -11.974 1286 HA VAL 74 HA VAL 74 3.829 -10.411 -10.861 1287 HB VAL 74 HB VAL 74 3.109 -12.048 -9.240 1288 1HG1 VAL 74 1HG1 VAL 74 5.616 -13.351 -10.067 1289 2HG1 VAL 74 2HG1 VAL 74 4.130 -14.066 -9.442 1290 3HG1 VAL 74 3HG1 VAL 74 5.326 -13.402 -8.328 1291 1HG2 VAL 74 1HG2 VAL 74 4.385 -11.368 -7.308 1292 2HG2 VAL 74 2HG2 VAL 74 4.373 -10.004 -8.426 1293 3HG2 VAL 74 3HG2 VAL 74 5.804 -11.028 -8.298 1294 H SER 75 H SER 75 5.651 -9.188 -9.949 1295 HA SER 75 HA SER 75 8.366 -10.200 -10.685 1296 1HB SER 75 1HB SER 75 6.837 -8.376 -12.160 1297 2HB SER 75 2HB SER 75 7.960 -7.366 -11.253 1298 HG SER 75 HG SER 75 8.853 -9.696 -12.559 1299 H THR 76 H THR 76 10.003 -8.342 -9.856 1300 HA THR 76 HA THR 76 9.180 -7.751 -7.040 1301 HB THR 76 HB THR 76 11.995 -7.702 -8.097 1302 HG1 THR 76 HG1 THR 76 11.472 -9.646 -8.827 1303 1HG2 THR 76 1HG2 THR 76 11.686 -9.067 -5.631 1304 2HG2 THR 76 2HG2 THR 76 10.666 -7.632 -5.549 1305 3HG2 THR 76 3HG2 THR 76 12.387 -7.471 -5.898 1306 H GLY 77 H GLY 77 10.328 -5.755 -6.138 1307 1HA GLY 77 1HA GLY 77 11.150 -3.644 -7.938 1308 2HA GLY 77 2HA GLY 77 9.492 -3.397 -7.392 1309 H PHE 78 H PHE 78 10.954 -1.422 -6.550 1310 HA PHE 78 HA PHE 78 11.393 -1.974 -3.660 1311 1HB PHE 78 1HB PHE 78 13.453 -1.871 -5.551 1312 2HB PHE 78 2HB PHE 78 13.475 -0.275 -4.801 1313 HD1 PHE 78 HD1 PHE 78 15.399 -0.404 -3.410 1314 HD2 PHE 78 HD2 PHE 78 12.417 -3.490 -3.243 1315 HE1 PHE 78 HE1 PHE 78 16.503 -1.359 -1.405 1316 HE2 PHE 78 HE2 PHE 78 13.520 -4.447 -1.238 1317 HZ PHE 78 HZ PHE 78 15.563 -3.382 -0.319 1318 H MET 79 H MET 79 10.748 -0.232 -2.408 1319 HA MET 79 HA MET 79 10.071 2.317 -3.843 1320 1HB MET 79 1HB MET 79 8.603 0.499 -2.041 1321 2HB MET 79 2HB MET 79 8.455 2.205 -1.620 1322 1HG MET 79 1HG MET 79 8.036 2.495 -4.210 1323 2HG MET 79 2HG MET 79 7.591 0.791 -4.119 1324 1HE MET 79 1HE MET 79 5.455 3.887 -4.429 1325 2HE MET 79 2HE MET 79 5.557 4.505 -2.782 1326 3HE MET 79 3HE MET 79 7.033 4.197 -3.708 1327 H SER 80 H SER 80 9.977 4.213 -2.220 1328 HA SER 80 HA SER 80 11.960 3.880 -0.006 1329 1HB SER 80 1HB SER 80 13.377 5.445 -0.931 1330 2HB SER 80 2HB SER 80 12.650 4.856 -2.423 1331 HG SER 80 HG SER 80 12.295 7.253 -1.062 1332 H ILE 81 H ILE 81 10.551 4.283 1.701 1333 HA ILE 81 HA ILE 81 8.561 6.463 1.515 1334 HB ILE 81 HB ILE 81 7.974 4.324 2.536 1335 1HG1 ILE 81 1HG1 ILE 81 8.082 5.686 5.079 1336 2HG1 ILE 81 2HG1 ILE 81 7.719 6.847 3.802 1337 1HG2 ILE 81 1HG2 ILE 81 9.553 3.173 3.650 1338 2HG2 ILE 81 2HG2 ILE 81 9.462 4.358 4.952 1339 3HG2 ILE 81 3HG2 ILE 81 10.619 4.579 3.640 1340 1HD1 ILE 81 1HD1 ILE 81 5.858 5.226 5.003 1341 2HD1 ILE 81 2HD1 ILE 81 6.263 4.298 3.559 1342 3HD1 ILE 81 3HD1 ILE 81 5.670 5.951 3.407
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