NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20558 | 2g1d | 6989 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 17.239 -3.709 3.979 2 HA MET 1 HA MET 1 17.421 -2.497 1.305 3 1HB MET 1 2HB MET 1 15.159 -3.720 2.851 4 2HB MET 1 1HB MET 1 14.812 -2.510 1.630 5 1HG MET 1 2HG MET 1 14.617 -4.422 0.408 6 2HG MET 1 1HG MET 1 16.308 -4.018 0.120 7 1HE MET 1 1HE MET 1 17.234 -6.157 -0.556 8 2HE MET 1 2HE MET 1 17.809 -7.319 0.640 9 3HE MET 1 3HE MET 1 18.313 -5.631 0.736 10 H ASP 2 H ASP 2 16.549 -0.263 1.024 11 HA ASP 2 HA ASP 2 15.974 1.101 3.585 12 1HB ASP 2 2HB ASP 2 18.441 1.345 2.622 13 2HB ASP 2 1HB ASP 2 17.660 2.538 1.594 14 H LEU 3 H LEU 3 13.928 1.784 3.271 15 HA LEU 3 HA LEU 3 13.260 2.634 0.564 16 1HB LEU 3 2HB LEU 3 11.973 0.841 1.794 17 2HB LEU 3 1HB LEU 3 11.344 2.121 2.810 18 HG LEU 3 HG LEU 3 9.985 1.233 0.750 19 1HD1 LEU 3 1HD1 LEU 3 10.057 4.195 0.960 20 2HD1 LEU 3 2HD1 LEU 3 9.659 3.247 2.394 21 3HD1 LEU 3 3HD1 LEU 3 8.679 3.094 0.934 22 1HD2 LEU 3 1HD2 LEU 3 11.969 1.794 -0.767 23 2HD2 LEU 3 2HD2 LEU 3 11.457 3.473 -0.592 24 3HD2 LEU 3 3HD2 LEU 3 10.361 2.287 -1.296 25 H ILE 4 H ILE 4 13.368 4.703 0.130 26 HA ILE 4 HA ILE 4 12.515 6.604 2.240 27 HB ILE 4 HB ILE 4 13.359 8.295 0.383 28 1HG1 ILE 4 2HG1 ILE 4 14.050 6.248 -1.034 29 2HG1 ILE 4 1HG1 ILE 4 15.181 7.588 -0.908 30 1HG2 ILE 4 1HG2 ILE 4 15.733 7.897 1.629 31 2HG2 ILE 4 2HG2 ILE 4 14.632 7.040 2.709 32 3HG2 ILE 4 3HG2 ILE 4 14.359 8.744 2.341 33 1HD1 ILE 4 1HD1 ILE 4 16.292 5.423 -0.713 34 2HD1 ILE 4 2HD1 ILE 4 15.308 5.047 0.700 35 3HD1 ILE 4 3HD1 ILE 4 16.462 6.379 0.758 36 H ILE 5 H ILE 5 10.510 7.082 2.069 37 HA ILE 5 HA ILE 5 9.191 6.888 -0.520 38 HB ILE 5 HB ILE 5 8.605 5.434 1.397 39 1HG1 ILE 5 2HG1 ILE 5 6.049 6.020 1.156 40 2HG1 ILE 5 1HG1 ILE 5 6.645 7.102 -0.102 41 1HG2 ILE 5 1HG2 ILE 5 7.086 6.482 3.092 42 2HG2 ILE 5 2HG2 ILE 5 7.677 8.040 2.521 43 3HG2 ILE 5 3HG2 ILE 5 8.799 6.875 3.218 44 1HD1 ILE 5 1HD1 ILE 5 7.924 4.655 -0.509 45 2HD1 ILE 5 2HD1 ILE 5 6.642 5.378 -1.479 46 3HD1 ILE 5 3HD1 ILE 5 6.238 4.274 -0.165 47 H LYS 6 H LYS 6 7.873 8.419 -1.355 48 HA LYS 6 HA LYS 6 7.553 10.989 0.042 49 1HB LYS 6 2HB LYS 6 8.754 10.467 -2.512 50 2HB LYS 6 1HB LYS 6 7.263 11.359 -2.772 51 1HG LYS 6 2HG LYS 6 8.027 13.090 -1.224 52 2HG LYS 6 1HG LYS 6 9.528 12.195 -0.971 53 1HD LYS 6 2HD LYS 6 9.349 12.399 -3.722 54 2HD LYS 6 1HD LYS 6 8.751 13.958 -3.152 55 1HE LYS 6 2HE LYS 6 11.010 13.382 -1.592 56 2HE LYS 6 1HE LYS 6 11.446 12.956 -3.246 57 1HZ LYS 6 1HZ LYS 6 10.251 15.305 -3.626 58 2HZ LYS 6 2HZ LYS 6 11.915 15.134 -3.372 59 3HZ LYS 6 3HZ LYS 6 10.903 15.557 -2.085 60 H GLU 7 H GLU 7 5.809 9.380 0.719 61 HA GLU 7 HA GLU 7 3.693 8.459 -0.724 62 1HB GLU 7 2HB GLU 7 3.485 9.530 2.019 63 2HB GLU 7 1HB GLU 7 2.524 8.256 1.272 64 1HG GLU 7 2HG GLU 7 4.109 6.686 1.578 65 2HG GLU 7 1HG GLU 7 5.429 7.796 1.220 66 H LYS 8 H LYS 8 1.639 9.010 -1.228 67 HA LYS 8 HA LYS 8 0.669 11.661 -0.680 68 1HB LYS 8 2HB LYS 8 1.656 10.851 -3.311 69 2HB LYS 8 1HB LYS 8 -0.022 11.370 -3.355 70 1HG LYS 8 2HG LYS 8 0.500 13.522 -3.020 71 2HG LYS 8 1HG LYS 8 1.759 13.139 -1.842 72 1HD LYS 8 2HD LYS 8 3.092 12.302 -3.895 73 2HD LYS 8 1HD LYS 8 1.936 13.249 -4.833 74 1HE LYS 8 2HE LYS 8 2.858 15.197 -4.219 75 2HE LYS 8 1HE LYS 8 3.055 14.682 -2.543 76 1HZ LYS 8 1HZ LYS 8 4.964 13.272 -3.467 77 2HZ LYS 8 2HZ LYS 8 5.214 14.937 -3.302 78 3HZ LYS 8 3HZ LYS 8 4.882 14.280 -4.824 79 H ARG 9 H ARG 9 -1.317 11.062 0.235 80 HA ARG 9 HA ARG 9 -2.594 8.697 -0.978 81 1HB ARG 9 2HB ARG 9 -3.644 8.324 1.231 82 2HB ARG 9 1HB ARG 9 -1.888 8.237 1.257 83 1HG ARG 9 2HG ARG 9 -1.678 10.062 2.569 84 2HG ARG 9 1HG ARG 9 -3.080 10.867 1.865 85 1HD ARG 9 2HD ARG 9 -4.523 9.229 3.084 86 2HD ARG 9 1HD ARG 9 -3.074 8.643 3.899 87 HE ARG 9 HE ARG 9 -3.046 11.319 4.368 88 1HH1 ARG 9 1HH1 ARG 9 -5.402 8.796 4.874 89 2HH1 ARG 9 2HH1 ARG 9 -6.116 9.568 6.251 90 1HH2 ARG 9 1HH2 ARG 9 -3.982 12.336 6.175 91 2HH2 ARG 9 2HH2 ARG 9 -5.311 11.579 6.989 92 H ASP 10 H ASP 10 -4.637 8.597 -1.514 93 HA ASP 10 HA ASP 10 -6.368 10.914 -1.007 94 1HB ASP 10 2HB ASP 10 -5.609 9.675 -3.576 95 2HB ASP 10 1HB ASP 10 -7.341 9.910 -3.365 96 H ASN 11 H ASN 11 -7.996 10.212 0.283 97 HA ASN 11 HA ASN 11 -8.786 7.410 -0.118 98 1HB ASN 11 2HB ASN 11 -9.593 7.537 2.264 99 2HB ASN 11 1HB ASN 11 -7.849 7.663 2.051 100 1HD2 ASN 11 1HD2 ASN 11 -6.865 9.725 2.248 101 2HD2 ASN 11 2HD2 ASN 11 -7.617 10.975 3.174 102 HA PRO 12 HA PRO 12 -12.850 9.233 -0.820 103 1HB PRO 12 2HB PRO 12 -13.446 7.782 -2.968 104 2HB PRO 12 1HB PRO 12 -12.163 8.991 -3.074 105 1HG PRO 12 2HG PRO 12 -11.952 6.045 -3.008 106 2HG PRO 12 1HG PRO 12 -10.819 7.238 -3.663 107 1HD PRO 12 2HD PRO 12 -10.806 5.961 -1.053 108 2HD PRO 12 1HD PRO 12 -9.572 7.008 -1.776 109 H ILE 13 H ILE 13 -14.053 6.463 -2.121 110 HA ILE 13 HA ILE 13 -15.339 5.656 0.296 111 HB ILE 13 HB ILE 13 -16.578 4.133 -0.958 112 1HG1 ILE 13 2HG1 ILE 13 -14.488 3.051 -1.975 113 2HG1 ILE 13 1HG1 ILE 13 -15.941 3.054 -2.955 114 1HG2 ILE 13 1HG2 ILE 13 -17.571 5.886 -1.890 115 2HG2 ILE 13 2HG2 ILE 13 -16.643 5.512 -3.343 116 3HG2 ILE 13 3HG2 ILE 13 -16.039 6.702 -2.191 117 1HD1 ILE 13 1HD1 ILE 13 -14.593 5.401 -3.640 118 2HD1 ILE 13 2HD1 ILE 13 -14.738 3.924 -4.593 119 3HD1 ILE 13 3HD1 ILE 13 -13.355 4.152 -3.523 120 H LEU 14 H LEU 14 -12.691 4.428 -1.694 121 HA LEU 14 HA LEU 14 -12.357 2.218 0.185 122 1HB LEU 14 2HB LEU 14 -11.543 0.901 -1.476 123 2HB LEU 14 1HB LEU 14 -12.641 1.926 -2.373 124 HG LEU 14 HG LEU 14 -10.813 1.861 -3.763 125 1HD1 LEU 14 1HD1 LEU 14 -9.891 3.995 -3.858 126 2HD1 LEU 14 2HD1 LEU 14 -9.920 4.192 -2.107 127 3HD1 LEU 14 3HD1 LEU 14 -11.424 4.222 -3.025 128 1HD2 LEU 14 1HD2 LEU 14 -8.644 2.418 -1.889 129 2HD2 LEU 14 2HD2 LEU 14 -8.756 1.224 -3.182 130 3HD2 LEU 14 3HD2 LEU 14 -9.465 0.884 -1.604 131 H LYS 15 H LYS 15 -11.156 5.107 0.373 132 HA LYS 15 HA LYS 15 -9.164 5.995 1.082 133 1HB LYS 15 2HB LYS 15 -8.172 4.679 2.950 134 2HB LYS 15 1HB LYS 15 -9.915 4.885 3.037 135 1HG LYS 15 2HG LYS 15 -8.763 2.396 1.861 136 2HG LYS 15 1HG LYS 15 -8.888 2.597 3.605 137 1HD LYS 15 2HD LYS 15 -11.359 3.361 2.301 138 2HD LYS 15 1HD LYS 15 -10.899 1.714 1.867 139 1HE LYS 15 2HE LYS 15 -12.207 1.497 3.807 140 2HE LYS 15 1HE LYS 15 -10.541 1.323 4.357 141 1HZ LYS 15 1HZ LYS 15 -11.192 2.834 5.866 142 2HZ LYS 15 2HZ LYS 15 -12.469 3.418 4.921 143 3HZ LYS 15 3HZ LYS 15 -10.889 3.949 4.630 144 H ARG 16 H ARG 16 -8.497 5.399 -1.433 145 HA ARG 16 HA ARG 16 -6.229 3.542 -1.395 146 1HB ARG 16 2HB ARG 16 -8.023 3.606 -3.238 147 2HB ARG 16 1HB ARG 16 -7.211 5.057 -3.800 148 1HG ARG 16 2HG ARG 16 -5.975 3.677 -5.034 149 2HG ARG 16 1HG ARG 16 -5.134 3.298 -3.529 150 1HD ARG 16 2HD ARG 16 -6.622 1.416 -3.148 151 2HD ARG 16 1HD ARG 16 -7.530 1.816 -4.606 152 HE ARG 16 HE ARG 16 -4.975 0.479 -4.449 153 1HH1 ARG 16 1HH1 ARG 16 -7.197 2.248 -6.483 154 2HH1 ARG 16 2HH1 ARG 16 -6.563 1.595 -7.956 155 1HH2 ARG 16 1HH2 ARG 16 -4.143 -0.380 -6.387 156 2HH2 ARG 16 2HH2 ARG 16 -4.830 0.105 -7.902 157 H LYS 17 H LYS 17 -4.106 4.138 -1.605 158 HA LYS 17 HA LYS 17 -3.664 7.032 -1.987 159 1HB LYS 17 2HB LYS 17 -1.934 7.029 -0.318 160 2HB LYS 17 1HB LYS 17 -3.429 6.412 0.363 161 1HG LYS 17 2HG LYS 17 -1.958 4.915 1.232 162 2HG LYS 17 1HG LYS 17 -2.365 4.088 -0.273 163 1HD LYS 17 2HD LYS 17 -0.103 6.004 -0.340 164 2HD LYS 17 1HD LYS 17 0.154 4.479 0.509 165 1HE LYS 17 2HE LYS 17 -1.156 3.832 -1.876 166 2HE LYS 17 1HE LYS 17 0.081 5.000 -2.317 167 1HZ LYS 17 1HZ LYS 17 0.361 2.320 -1.198 168 2HZ LYS 17 2HZ LYS 17 1.544 3.466 -0.868 169 3HZ LYS 17 3HZ LYS 17 1.194 3.048 -2.458 170 H GLU 18 H GLU 18 -1.525 7.685 -2.704 171 HA GLU 18 HA GLU 18 -0.109 5.691 -4.345 172 1HB GLU 18 2HB GLU 18 -0.314 8.467 -5.400 173 2HB GLU 18 1HB GLU 18 -0.223 6.942 -6.268 174 1HG GLU 18 2HG GLU 18 -2.662 6.736 -5.098 175 2HG GLU 18 1HG GLU 18 -2.554 8.474 -5.374 176 H ILE 19 H ILE 19 1.984 5.678 -3.830 177 HA ILE 19 HA ILE 19 3.234 8.121 -2.775 178 HB ILE 19 HB ILE 19 4.335 7.049 -1.037 179 1HG1 ILE 19 2HG1 ILE 19 5.038 5.134 -2.418 180 2HG1 ILE 19 1HG1 ILE 19 4.486 4.648 -0.832 181 1HG2 ILE 19 1HG2 ILE 19 2.518 5.741 0.163 182 2HG2 ILE 19 2HG2 ILE 19 1.537 5.985 -1.280 183 3HG2 ILE 19 3HG2 ILE 19 2.093 7.372 -0.351 184 1HD1 ILE 19 1HD1 ILE 19 3.453 4.001 -3.416 185 2HD1 ILE 19 2HD1 ILE 19 2.211 4.623 -2.347 186 3HD1 ILE 19 3HD1 ILE 19 3.164 3.235 -1.866 187 H LYS 20 H LYS 20 5.412 8.323 -2.909 188 HA LYS 20 HA LYS 20 6.627 6.949 -5.225 189 1HB LYS 20 2HB LYS 20 7.970 9.155 -3.738 190 2HB LYS 20 1HB LYS 20 7.906 8.845 -5.476 191 1HG LYS 20 2HG LYS 20 5.448 9.594 -3.969 192 2HG LYS 20 1HG LYS 20 6.585 10.827 -4.523 193 1HD LYS 20 2HD LYS 20 6.455 9.567 -6.786 194 2HD LYS 20 1HD LYS 20 4.979 8.868 -6.118 195 1HE LYS 20 2HE LYS 20 4.023 10.679 -7.097 196 2HE LYS 20 1HE LYS 20 4.516 11.465 -5.597 197 1HZ LYS 20 1HZ LYS 20 6.099 12.655 -6.636 198 2HZ LYS 20 2HZ LYS 20 5.145 12.384 -8.006 199 3HZ LYS 20 3HZ LYS 20 6.501 11.416 -7.717 200 H TYR 21 H TYR 21 8.152 5.432 -4.906 201 HA TYR 21 HA TYR 21 9.512 5.427 -2.287 202 1HB TYR 21 2HB TYR 21 8.820 3.324 -1.685 203 2HB TYR 21 1HB TYR 21 7.403 3.924 -2.530 204 HD1 TYR 21 1HD TYR 21 7.855 3.515 -5.296 205 HD2 TYR 21 2HD TYR 21 9.085 1.057 -2.049 206 HE1 TYR 21 1HE TYR 21 7.898 1.567 -6.795 207 HE2 TYR 21 2HE TYR 21 9.135 -0.896 -3.538 208 HH TYR 21 HH TYR 21 7.651 -1.195 -6.230 209 H VAL 22 H VAL 22 11.531 4.700 -2.111 210 HA VAL 22 HA VAL 22 12.719 3.187 -4.314 211 HB VAL 22 HB VAL 22 13.561 5.849 -3.907 212 1HG1 VAL 22 1HG1 VAL 22 15.783 5.774 -3.079 213 2HG1 VAL 22 2HG1 VAL 22 15.795 4.011 -3.054 214 3HG1 VAL 22 3HG1 VAL 22 14.822 4.901 -1.893 215 1HG2 VAL 22 1HG2 VAL 22 14.805 5.455 -5.782 216 2HG2 VAL 22 2HG2 VAL 22 13.822 3.999 -5.820 217 3HG2 VAL 22 3HG2 VAL 22 15.450 3.936 -5.164 218 H LEU 23 H LEU 23 13.632 1.392 -3.540 219 HA LEU 23 HA LEU 23 14.190 1.225 -0.707 220 1HB LEU 23 2HB LEU 23 12.446 -0.322 -1.550 221 2HB LEU 23 1HB LEU 23 13.545 -0.918 -2.781 222 HG LEU 23 HG LEU 23 14.897 -1.393 -0.384 223 1HD1 LEU 23 1HD1 LEU 23 13.347 -1.385 1.231 224 2HD1 LEU 23 2HD1 LEU 23 12.779 -2.891 0.508 225 3HD1 LEU 23 3HD1 LEU 23 12.014 -1.361 0.078 226 1HD2 LEU 23 1HD2 LEU 23 13.984 -2.824 -2.619 227 2HD2 LEU 23 2HD2 LEU 23 13.367 -3.693 -1.216 228 3HD2 LEU 23 3HD2 LEU 23 15.095 -3.384 -1.370 229 H LYS 24 H LYS 24 16.308 0.989 -0.208 230 HA LYS 24 HA LYS 24 18.157 0.552 -2.431 231 1HB LYS 24 2HB LYS 24 18.742 1.535 0.378 232 2HB LYS 24 1HB LYS 24 19.862 1.526 -0.974 233 1HG LYS 24 2HG LYS 24 18.851 3.319 -2.007 234 2HG LYS 24 1HG LYS 24 17.302 3.036 -1.214 235 1HD LYS 24 2HD LYS 24 17.999 4.027 0.772 236 2HD LYS 24 1HD LYS 24 19.709 3.838 0.380 237 1HE LYS 24 2HE LYS 24 18.140 5.491 -1.484 238 2HE LYS 24 1HE LYS 24 18.334 6.150 0.139 239 1HZ LYS 24 1HZ LYS 24 20.112 6.486 -1.810 240 2HZ LYS 24 2HZ LYS 24 20.743 5.092 -1.090 241 3HZ LYS 24 3HZ LYS 24 20.522 6.492 -0.168 242 H PHE 25 H PHE 25 18.936 -1.386 -2.638 243 HA PHE 25 HA PHE 25 18.866 -3.113 -0.281 244 1HB PHE 25 2HB PHE 25 18.937 -4.798 -2.402 245 2HB PHE 25 1HB PHE 25 17.487 -4.314 -1.570 246 HD1 PHE 25 1HD PHE 25 16.240 -2.275 -2.531 247 HD2 PHE 25 2HD PHE 25 19.230 -4.431 -4.657 248 HE1 PHE 25 1HE PHE 25 15.363 -1.399 -4.652 249 HE2 PHE 25 2HE PHE 25 18.364 -3.549 -6.779 250 HZ PHE 25 HZ PHE 25 16.431 -2.031 -6.781 251 H ASP 26 H ASP 26 20.569 -4.122 0.379 252 HA ASP 26 HA ASP 26 23.118 -3.468 -0.833 253 1HB ASP 26 2HB ASP 26 24.105 -4.403 1.160 254 2HB ASP 26 1HB ASP 26 22.739 -3.392 1.623 255 H SER 27 H SER 27 23.997 -4.648 -2.374 256 HA SER 27 HA SER 27 23.061 -7.108 -3.276 257 1HB SER 27 2HB SER 27 25.559 -7.182 -4.234 258 2HB SER 27 1HB SER 27 24.330 -6.102 -4.895 259 HG SER 27 HG SER 27 26.412 -5.497 -3.080 260 H SER 28 H SER 28 22.967 -8.877 -2.055 261 HA SER 28 HA SER 28 25.219 -10.360 -1.363 262 1HB SER 28 2HB SER 28 25.012 -8.321 0.427 263 2HB SER 28 1HB SER 28 24.046 -9.558 1.230 264 HG SER 28 HG SER 28 25.938 -10.970 0.774 265 H ARG 29 H ARG 29 22.067 -9.624 0.133 266 HA ARG 29 HA ARG 29 21.317 -12.442 -0.287 267 1HB ARG 29 2HB ARG 29 21.371 -10.882 2.139 268 2HB ARG 29 1HB ARG 29 19.730 -11.413 1.798 269 1HG ARG 29 2HG ARG 29 21.487 -13.606 1.363 270 2HG ARG 29 1HG ARG 29 21.860 -12.885 2.931 271 1HD ARG 29 2HD ARG 29 20.148 -14.069 3.731 272 2HD ARG 29 1HD ARG 29 19.101 -12.931 2.884 273 HE ARG 29 HE ARG 29 18.588 -14.579 1.385 274 1HH1 ARG 29 1HH1 ARG 29 21.447 -15.521 3.151 275 2HH1 ARG 29 2HH1 ARG 29 21.479 -17.122 2.488 276 1HH2 ARG 29 1HH2 ARG 29 18.631 -16.683 0.512 277 2HH2 ARG 29 2HH2 ARG 29 19.883 -17.779 0.989 278 H THR 30 H THR 30 19.118 -12.856 -0.788 279 HA THR 30 HA THR 30 17.953 -11.026 -2.568 280 HB THR 30 HB THR 30 16.671 -13.385 -1.173 281 HG1 THR 30 1HG THR 30 18.454 -14.040 -2.350 282 1HG2 THR 30 1HG2 THR 30 15.116 -13.488 -2.986 283 2HG2 THR 30 2HG2 THR 30 15.892 -12.121 -3.788 284 3HG2 THR 30 3HG2 THR 30 15.036 -11.882 -2.264 285 HA PRO 31 HA PRO 31 15.837 -8.093 -0.021 286 1HB PRO 31 2HB PRO 31 13.638 -8.421 -2.008 287 2HB PRO 31 1HB PRO 31 14.413 -6.946 -1.424 288 1HG PRO 31 2HG PRO 31 14.984 -7.911 -3.836 289 2HG PRO 31 1HG PRO 31 16.252 -7.203 -2.817 290 1HD PRO 31 2HD PRO 31 15.682 -10.067 -3.420 291 2HD PRO 31 1HD PRO 31 17.239 -9.254 -3.160 292 H SER 32 H SER 32 14.409 -8.167 1.662 293 HA SER 32 HA SER 32 13.080 -10.693 2.145 294 1HB SER 32 2HB SER 32 14.163 -8.596 3.741 295 2HB SER 32 1HB SER 32 12.457 -8.760 4.155 296 HG SER 32 HG SER 32 12.797 -10.767 4.859 297 H ARG 33 H ARG 33 10.839 -10.889 2.697 298 HA ARG 33 HA ARG 33 9.127 -9.406 0.962 299 1HB ARG 33 2HB ARG 33 8.390 -11.331 3.174 300 2HB ARG 33 1HB ARG 33 7.333 -10.783 1.879 301 1HG ARG 33 2HG ARG 33 8.061 -12.379 0.531 302 2HG ARG 33 1HG ARG 33 9.738 -11.886 0.774 303 1HD ARG 33 2HD ARG 33 9.480 -13.141 3.046 304 2HD ARG 33 1HD ARG 33 8.127 -13.934 2.240 305 HE ARG 33 HE ARG 33 10.504 -13.989 0.662 306 1HH1 ARG 33 1HH1 ARG 33 8.871 -15.537 3.330 307 2HH1 ARG 33 2HH1 ARG 33 9.674 -17.055 3.103 308 1HH2 ARG 33 1HH2 ARG 33 11.561 -15.985 0.364 309 2HH2 ARG 33 2HH2 ARG 33 11.200 -17.310 1.420 310 H GLU 34 H GLU 34 9.450 -9.594 4.491 311 HA GLU 34 HA GLU 34 7.458 -7.607 5.006 312 1HB GLU 34 2HB GLU 34 9.113 -9.409 6.532 313 2HB GLU 34 1HB GLU 34 9.158 -7.800 7.241 314 1HG GLU 34 2HG GLU 34 7.357 -8.652 8.326 315 2HG GLU 34 1HG GLU 34 6.553 -7.951 6.923 316 H GLU 35 H GLU 35 11.008 -7.571 4.848 317 HA GLU 35 HA GLU 35 11.403 -5.016 5.872 318 1HB GLU 35 2HB GLU 35 12.991 -6.991 4.678 319 2HB GLU 35 1HB GLU 35 13.244 -5.547 3.710 320 1HG GLU 35 2HG GLU 35 13.324 -5.114 6.608 321 2HG GLU 35 1HG GLU 35 14.598 -6.154 5.974 322 H ILE 36 H ILE 36 11.005 -5.947 2.429 323 HA ILE 36 HA ILE 36 10.975 -3.205 1.606 324 HB ILE 36 HB ILE 36 11.734 -5.050 0.112 325 1HG1 ILE 36 2HG1 ILE 36 10.933 -2.747 -0.648 326 2HG1 ILE 36 1HG1 ILE 36 11.004 -4.005 -1.870 327 1HG2 ILE 36 1HG2 ILE 36 9.883 -6.621 0.703 328 2HG2 ILE 36 2HG2 ILE 36 10.202 -6.465 -1.023 329 3HG2 ILE 36 3HG2 ILE 36 8.816 -5.645 -0.305 330 1HD1 ILE 36 1HD1 ILE 36 8.507 -4.341 -1.356 331 2HD1 ILE 36 2HD1 ILE 36 9.000 -2.930 -2.289 332 3HD1 ILE 36 3HD1 ILE 36 8.613 -2.762 -0.578 333 H LYS 37 H LYS 37 8.495 -5.713 1.705 334 HA LYS 37 HA LYS 37 6.336 -4.057 1.002 335 1HB LYS 37 2HB LYS 37 6.257 -6.489 0.799 336 2HB LYS 37 1HB LYS 37 6.231 -6.625 2.553 337 1HG LYS 37 2HG LYS 37 4.111 -5.238 2.483 338 2HG LYS 37 1HG LYS 37 4.110 -5.520 0.740 339 1HD LYS 37 2HD LYS 37 4.062 -7.929 1.119 340 2HD LYS 37 1HD LYS 37 4.108 -7.667 2.862 341 1HE LYS 37 2HE LYS 37 1.962 -6.269 1.397 342 2HE LYS 37 1HE LYS 37 1.838 -8.027 1.458 343 1HZ LYS 37 1HZ LYS 37 2.459 -6.707 3.971 344 2HZ LYS 37 2HZ LYS 37 1.428 -8.011 3.657 345 3HZ LYS 37 3HZ LYS 37 0.904 -6.430 3.360 346 H GLU 38 H GLU 38 7.489 -4.877 4.240 347 HA GLU 38 HA GLU 38 5.267 -3.429 5.316 348 1HB GLU 38 2HB GLU 38 5.848 -4.245 7.286 349 2HB GLU 38 1HB GLU 38 6.853 -5.317 6.337 350 1HG GLU 38 2HG GLU 38 8.790 -3.894 6.735 351 2HG GLU 38 1HG GLU 38 7.785 -2.756 7.628 352 H LEU 39 H LEU 39 8.789 -2.731 5.127 353 HA LEU 39 HA LEU 39 8.521 -0.134 6.139 354 1HB LEU 39 2HB LEU 39 10.726 -0.155 6.016 355 2HB LEU 39 1HB LEU 39 10.618 -1.726 5.262 356 HG LEU 39 HG LEU 39 10.575 0.836 3.693 357 1HD1 LEU 39 1HD1 LEU 39 12.845 -0.716 4.818 358 2HD1 LEU 39 2HD1 LEU 39 12.671 1.022 4.583 359 3HD1 LEU 39 3HD1 LEU 39 13.017 -0.023 3.205 360 1HD2 LEU 39 1HD2 LEU 39 10.468 -0.439 1.862 361 2HD2 LEU 39 2HD2 LEU 39 9.959 -1.731 2.949 362 3HD2 LEU 39 3HD2 LEU 39 11.655 -1.586 2.485 363 H ILE 40 H ILE 40 7.934 -1.391 2.952 364 HA ILE 40 HA ILE 40 7.912 1.086 1.557 365 HB ILE 40 HB ILE 40 8.119 -1.156 0.526 366 1HG1 ILE 40 2HG1 ILE 40 5.819 0.429 -0.588 367 2HG1 ILE 40 1HG1 ILE 40 7.527 0.790 -0.863 368 1HG2 ILE 40 1HG2 ILE 40 6.220 -2.518 0.156 369 2HG2 ILE 40 2HG2 ILE 40 5.163 -1.328 0.910 370 3HG2 ILE 40 3HG2 ILE 40 6.356 -2.183 1.876 371 1HD1 ILE 40 1HD1 ILE 40 6.150 -1.785 -1.594 372 2HD1 ILE 40 2HD1 ILE 40 7.826 -1.357 -1.935 373 3HD1 ILE 40 3HD1 ILE 40 6.518 -0.475 -2.713 374 H ALA 41 H ALA 41 5.189 -0.910 2.814 375 HA ALA 41 HA ALA 41 3.217 1.077 2.284 376 1HB ALA 41 1HB ALA 41 3.263 -1.543 3.584 377 2HB ALA 41 2HB ALA 41 2.099 -0.860 2.447 378 3HB ALA 41 3HB ALA 41 2.022 -0.433 4.153 379 H LYS 42 H LYS 42 4.755 -0.050 5.211 380 HA LYS 42 HA LYS 42 3.389 1.512 7.015 381 1HB LYS 42 2HB LYS 42 6.260 0.599 7.211 382 2HB LYS 42 1HB LYS 42 5.168 0.958 8.550 383 1HG LYS 42 2HG LYS 42 3.656 -0.860 7.612 384 2HG LYS 42 1HG LYS 42 5.015 -1.351 6.587 385 1HD LYS 42 2HD LYS 42 6.326 -1.901 8.499 386 2HD LYS 42 1HD LYS 42 5.189 -1.118 9.598 387 1HE LYS 42 2HE LYS 42 3.954 -3.172 7.929 388 2HE LYS 42 1HE LYS 42 5.233 -3.799 8.969 389 1HZ LYS 42 1HZ LYS 42 2.624 -2.774 9.673 390 2HZ LYS 42 2HZ LYS 42 3.878 -2.228 10.667 391 3HZ LYS 42 3HZ LYS 42 3.606 -3.887 10.485 392 H HIS 43 H HIS 43 6.473 2.161 5.383 393 HA HIS 43 HA HIS 43 6.780 4.829 6.280 394 1HB HIS 43 2HB HIS 43 7.594 3.452 3.720 395 2HB HIS 43 1HB HIS 43 7.967 5.119 4.063 396 HD1 HIS 43 1HD HIS 43 10.524 4.611 4.034 397 HD2 HIS 43 2HD HIS 43 8.402 2.571 6.966 398 HE1 HIS 43 1HE HIS 43 12.262 3.671 5.589 399 HE2 HIS 43 2HE HIS 43 10.950 2.526 7.410 400 H GLU 44 H GLU 44 5.319 3.289 3.524 401 HA GLU 44 HA GLU 44 4.497 5.273 1.944 402 1HB GLU 44 2HB GLU 44 3.764 2.616 2.387 403 2HB GLU 44 1HB GLU 44 2.311 3.557 2.113 404 1HG GLU 44 2HG GLU 44 2.743 3.685 -0.028 405 2HG GLU 44 1HG GLU 44 4.327 4.354 0.309 406 H GLY 45 H GLY 45 3.404 4.755 5.096 407 1HA GLY 45 2HA GLY 45 2.240 6.562 6.190 408 2HA GLY 45 1HA GLY 45 1.458 6.907 4.642 409 H VAL 46 H VAL 46 1.992 3.626 5.499 410 HA VAL 46 HA VAL 46 -0.721 3.218 6.494 411 HB VAL 46 HB VAL 46 -0.950 1.462 4.553 412 1HG1 VAL 46 1HG1 VAL 46 -1.484 4.141 3.501 413 2HG1 VAL 46 2HG1 VAL 46 -2.073 3.883 5.143 414 3HG1 VAL 46 3HG1 VAL 46 -2.596 2.818 3.841 415 1HG2 VAL 46 1HG2 VAL 46 1.199 3.299 3.643 416 2HG2 VAL 46 2HG2 VAL 46 -0.041 2.879 2.470 417 3HG2 VAL 46 3HG2 VAL 46 0.912 1.609 3.238 418 H ASP 47 H ASP 47 -1.224 0.856 6.811 419 HA ASP 47 HA ASP 47 0.999 -0.402 8.160 420 1HB ASP 47 2HB ASP 47 -1.698 -1.651 7.767 421 2HB ASP 47 1HB ASP 47 -0.577 -1.855 9.111 422 H LYS 48 H LYS 48 0.922 -2.962 7.942 423 HA LYS 48 HA LYS 48 2.042 -3.593 5.429 424 1HB LYS 48 2HB LYS 48 2.284 -5.847 6.313 425 2HB LYS 48 1HB LYS 48 2.760 -4.661 7.518 426 1HG LYS 48 2HG LYS 48 -0.051 -5.541 7.613 427 2HG LYS 48 1HG LYS 48 1.163 -6.751 8.033 428 1HD LYS 48 2HD LYS 48 2.119 -4.739 9.475 429 2HD LYS 48 1HD LYS 48 0.433 -4.223 9.416 430 1HE LYS 48 2HE LYS 48 1.486 -6.865 10.423 431 2HE LYS 48 1HE LYS 48 0.805 -5.559 11.394 432 1HZ LYS 48 1HZ LYS 48 -0.538 -7.561 9.778 433 2HZ LYS 48 2HZ LYS 48 -1.192 -6.002 9.697 434 3HZ LYS 48 3HZ LYS 48 -1.053 -6.785 11.190 435 H GLU 49 H GLU 49 -1.187 -3.944 6.719 436 HA GLU 49 HA GLU 49 -2.063 -5.918 4.859 437 1HB GLU 49 2HB GLU 49 -3.305 -4.178 6.874 438 2HB GLU 49 1HB GLU 49 -4.334 -4.492 5.483 439 1HG GLU 49 2HG GLU 49 -3.035 -6.588 7.206 440 2HG GLU 49 1HG GLU 49 -4.723 -6.085 7.287 441 H LEU 50 H LEU 50 -2.007 -2.438 4.885 442 HA LEU 50 HA LEU 50 -3.386 -2.003 2.501 443 1HB LEU 50 2HB LEU 50 -1.582 0.076 3.487 444 2HB LEU 50 1HB LEU 50 -3.266 0.189 3.040 445 HG LEU 50 HG LEU 50 -2.047 -0.478 5.693 446 1HD1 LEU 50 1HD1 LEU 50 -3.880 1.539 4.552 447 2HD1 LEU 50 2HD1 LEU 50 -2.610 1.708 5.765 448 3HD1 LEU 50 3HD1 LEU 50 -4.176 1.035 6.214 449 1HD2 LEU 50 1HD2 LEU 50 -3.539 -2.044 6.179 450 2HD2 LEU 50 2HD2 LEU 50 -4.320 -1.861 4.614 451 3HD2 LEU 50 3HD2 LEU 50 -4.817 -0.849 5.966 452 H VAL 51 H VAL 51 -0.491 -3.514 2.568 453 HA VAL 51 HA VAL 51 0.772 -1.683 0.672 454 HB VAL 51 HB VAL 51 2.089 -4.273 1.019 455 1HG1 VAL 51 1HG1 VAL 51 3.775 -2.263 1.836 456 2HG1 VAL 51 2HG1 VAL 51 2.733 -1.467 0.660 457 3HG1 VAL 51 3HG1 VAL 51 3.638 -2.911 0.203 458 1HG2 VAL 51 1HG2 VAL 51 2.924 -3.267 3.352 459 2HG2 VAL 51 2HG2 VAL 51 1.622 -4.438 3.218 460 3HG2 VAL 51 3HG2 VAL 51 1.247 -2.725 3.397 461 H ILE 52 H ILE 52 0.311 -1.728 -1.345 462 HA ILE 52 HA ILE 52 0.307 -4.258 -2.804 463 HB ILE 52 HB ILE 52 -1.953 -3.983 -3.048 464 1HG1 ILE 52 2HG1 ILE 52 -2.498 -2.986 -5.186 465 2HG1 ILE 52 1HG1 ILE 52 -1.032 -2.015 -5.139 466 1HG2 ILE 52 1HG2 ILE 52 -3.207 -2.100 -2.676 467 2HG2 ILE 52 2HG2 ILE 52 -1.956 -1.017 -3.262 468 3HG2 ILE 52 3HG2 ILE 52 -1.794 -1.771 -1.678 469 1HD1 ILE 52 1HD1 ILE 52 -0.177 -3.636 -6.412 470 2HD1 ILE 52 2HD1 ILE 52 -1.429 -4.789 -5.949 471 3HD1 ILE 52 3HD1 ILE 52 -0.032 -4.535 -4.902 472 H VAL 53 H VAL 53 2.303 -3.983 -3.922 473 HA VAL 53 HA VAL 53 2.506 -1.381 -5.292 474 HB VAL 53 HB VAL 53 4.661 -0.963 -4.689 475 1HG1 VAL 53 1HG1 VAL 53 4.612 -0.818 -2.443 476 2HG1 VAL 53 2HG1 VAL 53 4.286 -2.529 -2.220 477 3HG1 VAL 53 3HG1 VAL 53 2.978 -1.433 -2.651 478 1HG2 VAL 53 1HG2 VAL 53 5.024 -3.904 -4.202 479 2HG2 VAL 53 2HG2 VAL 53 6.218 -2.689 -3.742 480 3HG2 VAL 53 3HG2 VAL 53 5.783 -2.901 -5.437 481 H ASP 54 H ASP 54 2.404 -1.577 -7.344 482 HA ASP 54 HA ASP 54 3.737 -3.832 -8.689 483 1HB ASP 54 2HB ASP 54 1.038 -3.023 -8.845 484 2HB ASP 54 1HB ASP 54 1.782 -2.534 -10.363 485 H ASN 55 H ASN 55 4.871 -3.399 -10.604 486 HA ASN 55 HA ASN 55 6.256 -2.208 -11.953 487 1HB ASN 55 2HB ASN 55 3.839 -0.570 -11.708 488 2HB ASN 55 1HB ASN 55 5.274 0.359 -12.127 489 1HD2 ASN 55 1HD2 ASN 55 6.208 0.102 -14.109 490 2HD2 ASN 55 2HD2 ASN 55 5.497 -0.828 -15.379 491 H ASN 56 H ASN 56 8.017 -0.854 -11.864 492 HA ASN 56 HA ASN 56 8.371 0.954 -9.623 493 1HB ASN 56 2HB ASN 56 10.626 -0.299 -9.153 494 2HB ASN 56 1HB ASN 56 9.128 -0.868 -8.424 495 1HD2 ASN 56 1HD2 ASN 56 9.365 -2.994 -8.294 496 2HD2 ASN 56 2HD2 ASN 56 9.768 -4.040 -9.610 497 H LYS 57 H LYS 57 9.055 2.729 -10.684 498 HA LYS 57 HA LYS 57 10.652 2.558 -13.076 499 1HB LYS 57 2HB LYS 57 10.488 4.959 -13.146 500 2HB LYS 57 1HB LYS 57 8.918 4.332 -12.675 501 1HG LYS 57 2HG LYS 57 10.170 4.771 -10.257 502 2HG LYS 57 1HG LYS 57 10.717 6.111 -11.254 503 1HD LYS 57 2HD LYS 57 8.337 6.575 -11.834 504 2HD LYS 57 1HD LYS 57 7.862 5.344 -10.664 505 1HE LYS 57 2HE LYS 57 7.808 7.057 -9.183 506 2HE LYS 57 1HE LYS 57 9.568 6.888 -9.188 507 1HZ LYS 57 1HZ LYS 57 9.571 8.525 -11.067 508 2HZ LYS 57 2HZ LYS 57 9.094 9.149 -9.569 509 3HZ LYS 57 3HZ LYS 57 7.932 8.803 -10.747 510 H GLN 58 H GLN 58 12.786 2.114 -12.979 511 HA GLN 58 HA GLN 58 14.265 2.729 -10.539 512 1HB GLN 58 2HB GLN 58 14.424 0.757 -12.624 513 2HB GLN 58 1HB GLN 58 15.977 1.565 -12.465 514 1HG GLN 58 2HG GLN 58 14.748 0.800 -9.927 515 2HG GLN 58 1HG GLN 58 15.154 -0.552 -10.983 516 1HE2 GLN 58 1HE2 GLN 58 16.704 -1.167 -9.394 517 2HE2 GLN 58 2HE2 GLN 58 18.240 -0.379 -9.321 518 H LEU 59 H LEU 59 14.999 4.778 -10.427 519 HA LEU 59 HA LEU 59 16.510 5.817 -12.730 520 1HB LEU 59 2HB LEU 59 15.931 8.116 -11.526 521 2HB LEU 59 1HB LEU 59 14.915 7.409 -12.765 522 HG LEU 59 HG LEU 59 13.693 8.324 -10.794 523 1HD1 LEU 59 1HD1 LEU 59 13.420 5.584 -11.854 524 2HD1 LEU 59 2HD1 LEU 59 12.304 6.943 -11.900 525 3HD1 LEU 59 3HD1 LEU 59 12.467 5.989 -10.428 526 1HD2 LEU 59 1HD2 LEU 59 15.296 7.650 -9.060 527 2HD2 LEU 59 2HD2 LEU 59 14.878 5.963 -9.340 528 3HD2 LEU 59 3HD2 LEU 59 13.665 7.077 -8.723 529 H THR 60 H THR 60 18.617 5.770 -12.287 530 HA THR 60 HA THR 60 19.975 7.257 -10.505 531 HB THR 60 HB THR 60 19.020 6.352 -8.560 532 HG1 THR 60 1HG THR 60 21.363 4.805 -8.899 533 1HG2 THR 60 1HG2 THR 60 18.444 4.106 -10.017 534 2HG2 THR 60 2HG2 THR 60 18.188 4.312 -8.285 535 3HG2 THR 60 3HG2 THR 60 19.661 3.540 -8.873 536 H GLY 61 H GLY 61 19.995 3.759 -11.225 537 1HA GLY 61 2HA GLY 61 21.476 2.635 -12.648 538 2HA GLY 61 1HA GLY 61 22.421 4.110 -12.790 539 H LYS 62 H LYS 62 21.505 3.013 -9.640 540 HA LYS 62 HA LYS 62 24.301 2.258 -9.133 541 1HB LYS 62 2HB LYS 62 22.240 3.670 -7.532 542 2HB LYS 62 1HB LYS 62 23.310 2.587 -6.654 543 1HG LYS 62 2HG LYS 62 25.156 3.897 -8.026 544 2HG LYS 62 1HG LYS 62 23.905 5.140 -8.033 545 1HD LYS 62 2HD LYS 62 24.788 3.747 -5.518 546 2HD LYS 62 1HD LYS 62 25.570 5.211 -6.115 547 1HE LYS 62 2HE LYS 62 23.005 5.996 -6.219 548 2HE LYS 62 1HE LYS 62 22.904 4.839 -4.892 549 1HZ LYS 62 1HZ LYS 62 23.411 7.217 -4.279 550 2HZ LYS 62 2HZ LYS 62 24.941 6.988 -4.964 551 3HZ LYS 62 3HZ LYS 62 24.459 6.049 -3.642 552 H HIS 63 H HIS 63 21.414 1.528 -7.210 553 HA HIS 63 HA HIS 63 21.164 -1.159 -8.012 554 1HB HIS 63 2HB HIS 63 23.428 -0.803 -6.499 555 2HB HIS 63 1HB HIS 63 22.245 -1.301 -5.291 556 HD1 HIS 63 1HD HIS 63 23.077 -2.513 -8.813 557 HD2 HIS 63 2HD HIS 63 22.389 -3.972 -4.983 558 HE1 HIS 63 1HE HIS 63 23.281 -5.013 -8.998 559 HE2 HIS 63 2HE HIS 63 22.776 -5.878 -6.687 560 H GLU 64 H GLU 64 19.642 1.315 -6.994 561 HA GLU 64 HA GLU 64 17.978 -0.137 -5.087 562 1HB GLU 64 2HB GLU 64 18.367 2.854 -5.193 563 2HB GLU 64 1HB GLU 64 17.535 1.921 -3.948 564 1HG GLU 64 2HG GLU 64 19.437 1.674 -2.838 565 2HG GLU 64 1HG GLU 64 20.165 0.875 -4.218 566 H ILE 65 H ILE 65 15.697 0.303 -5.299 567 HA ILE 65 HA ILE 65 15.031 1.020 -8.079 568 HB ILE 65 HB ILE 65 14.727 -1.374 -7.021 569 1HG1 ILE 65 2HG1 ILE 65 12.703 0.024 -8.765 570 2HG1 ILE 65 1HG1 ILE 65 14.078 -0.952 -9.279 571 1HG2 ILE 65 1HG2 ILE 65 13.384 -0.412 -5.128 572 2HG2 ILE 65 2HG2 ILE 65 12.665 -1.789 -5.964 573 3HG2 ILE 65 3HG2 ILE 65 12.086 -0.155 -6.294 574 1HD1 ILE 65 1HD1 ILE 65 11.482 -1.829 -8.103 575 2HD1 ILE 65 2HD1 ILE 65 12.913 -2.852 -7.989 576 3HD1 ILE 65 3HD1 ILE 65 12.291 -2.380 -9.570 577 H GLU 66 H GLU 66 13.527 2.442 -8.524 578 HA GLU 66 HA GLU 66 11.988 3.609 -6.311 579 1HB GLU 66 2HB GLU 66 13.798 5.047 -7.490 580 2HB GLU 66 1HB GLU 66 12.672 5.096 -8.832 581 1HG GLU 66 2HG GLU 66 11.608 6.777 -7.884 582 2HG GLU 66 1HG GLU 66 11.218 5.753 -6.509 583 H GLY 67 H GLY 67 9.903 4.586 -7.042 584 1HA GLY 67 2HA GLY 67 8.644 4.177 -9.430 585 2HA GLY 67 1HA GLY 67 8.487 2.645 -8.595 586 H TYR 68 H TYR 68 6.215 3.006 -8.665 587 HA TYR 68 HA TYR 68 5.357 4.816 -6.513 588 1HB TYR 68 2HB TYR 68 3.142 4.909 -7.789 589 2HB TYR 68 1HB TYR 68 4.487 5.814 -8.477 590 HD1 TYR 68 1HD TYR 68 5.399 5.239 -10.610 591 HD2 TYR 68 2HD TYR 68 2.416 2.783 -8.830 592 HE1 TYR 68 1HE TYR 68 5.108 4.056 -12.745 593 HE2 TYR 68 2HE TYR 68 2.117 1.592 -10.960 594 HH TYR 68 HH TYR 68 2.657 2.431 -13.630 595 H THR 69 H THR 69 4.167 3.924 -4.977 596 HA THR 69 HA THR 69 3.388 1.123 -5.329 597 HB THR 69 HB THR 69 4.438 2.609 -2.932 598 HG1 THR 69 1HG THR 69 5.725 1.215 -4.329 599 1HG2 THR 69 1HG2 THR 69 3.778 0.492 -1.642 600 2HG2 THR 69 2HG2 THR 69 2.549 0.290 -2.889 601 3HG2 THR 69 3HG2 THR 69 2.556 1.733 -1.891 602 H LYS 70 H LYS 70 1.445 0.433 -4.590 603 HA LYS 70 HA LYS 70 -0.575 2.537 -4.200 604 1HB LYS 70 2HB LYS 70 -0.379 0.551 -6.073 605 2HB LYS 70 1HB LYS 70 -1.441 -0.174 -4.879 606 1HG LYS 70 2HG LYS 70 -3.168 1.147 -5.427 607 2HG LYS 70 1HG LYS 70 -2.146 2.579 -5.574 608 1HD LYS 70 2HD LYS 70 -2.210 0.385 -7.638 609 2HD LYS 70 1HD LYS 70 -3.270 1.793 -7.699 610 1HE LYS 70 2HE LYS 70 -1.624 3.149 -8.397 611 2HE LYS 70 1HE LYS 70 -0.444 2.440 -7.294 612 1HZ LYS 70 1HZ LYS 70 -1.249 0.757 -9.515 613 2HZ LYS 70 2HZ LYS 70 0.285 1.021 -8.857 614 3HZ LYS 70 3HZ LYS 70 -0.373 2.140 -9.940 615 H ILE 71 H ILE 71 -1.999 2.351 -2.390 616 HA ILE 71 HA ILE 71 -1.510 -0.040 -0.738 617 HB ILE 71 HB ILE 71 -0.902 2.707 0.025 618 1HG1 ILE 71 2HG1 ILE 71 -0.031 0.629 1.829 619 2HG1 ILE 71 1HG1 ILE 71 0.247 0.158 0.155 620 1HG2 ILE 71 1HG2 ILE 71 -3.004 1.401 1.491 621 2HG2 ILE 71 2HG2 ILE 71 -2.331 3.012 1.690 622 3HG2 ILE 71 3HG2 ILE 71 -1.588 1.639 2.498 623 1HD1 ILE 71 1HD1 ILE 71 1.874 1.661 -0.122 624 2HD1 ILE 71 2HD1 ILE 71 1.956 1.588 1.632 625 3HD1 ILE 71 3HD1 ILE 71 1.061 2.881 0.852 626 H TYR 72 H TYR 72 -3.092 -0.885 0.436 627 HA TYR 72 HA TYR 72 -5.716 0.475 0.207 628 1HB TYR 72 2HB TYR 72 -6.560 -2.046 0.568 629 2HB TYR 72 1HB TYR 72 -6.339 -1.313 -1.009 630 HD1 TYR 72 1HD TYR 72 -5.744 -3.021 -2.434 631 HD2 TYR 72 2HD TYR 72 -3.839 -2.772 1.348 632 HE1 TYR 72 1HE TYR 72 -4.261 -4.879 -3.063 633 HE2 TYR 72 2HE TYR 72 -2.340 -4.615 0.733 634 HH TYR 72 HH TYR 72 -2.201 -5.870 -2.493 635 H ALA 73 H ALA 73 -6.546 1.137 1.982 636 HA ALA 73 HA ALA 73 -5.557 0.209 4.543 637 1HB ALA 73 1HB ALA 73 -7.379 2.121 5.151 638 2HB ALA 73 2HB ALA 73 -6.888 2.614 3.530 639 3HB ALA 73 3HB ALA 73 -5.679 2.432 4.802 640 H ASP 74 H ASP 74 -8.075 -0.618 2.499 641 HA ASP 74 HA ASP 74 -10.030 -1.164 4.564 642 1HB ASP 74 2HB ASP 74 -11.422 -2.010 2.744 643 2HB ASP 74 1HB ASP 74 -10.752 -0.434 2.323 644 H LYS 75 H LYS 75 -7.312 -2.730 3.336 645 HA LYS 75 HA LYS 75 -8.075 -5.409 3.263 646 1HB LYS 75 2HB LYS 75 -5.459 -4.060 3.872 647 2HB LYS 75 1HB LYS 75 -5.613 -5.811 3.885 648 1HG LYS 75 2HG LYS 75 -6.073 -3.961 1.557 649 2HG LYS 75 1HG LYS 75 -4.769 -5.132 1.758 650 1HD LYS 75 2HD LYS 75 -6.083 -6.489 0.543 651 2HD LYS 75 1HD LYS 75 -6.972 -6.710 2.052 652 1HE LYS 75 2HE LYS 75 -8.772 -5.672 1.240 653 2HE LYS 75 1HE LYS 75 -7.809 -4.316 0.653 654 1HZ LYS 75 1HZ LYS 75 -8.481 -6.831 -0.740 655 2HZ LYS 75 2HZ LYS 75 -7.177 -5.878 -1.238 656 3HZ LYS 75 3HZ LYS 75 -8.742 -5.239 -1.250 657 HA PRO 76 HA PRO 76 -6.897 -5.691 7.942 658 1HB PRO 76 2HB PRO 76 -6.934 -3.391 9.382 659 2HB PRO 76 1HB PRO 76 -5.481 -4.001 8.583 660 1HG PRO 76 2HG PRO 76 -7.377 -1.868 7.696 661 2HG PRO 76 1HG PRO 76 -5.607 -1.901 7.610 662 1HD PRO 76 2HD PRO 76 -7.202 -2.435 5.481 663 2HD PRO 76 1HD PRO 76 -5.602 -3.162 5.688 664 H SER 77 H SER 77 -9.076 -2.932 7.326 665 HA SER 77 HA SER 77 -10.899 -3.450 9.373 666 1HB SER 77 2HB SER 77 -10.916 -1.892 6.858 667 2HB SER 77 1HB SER 77 -12.502 -2.343 7.482 668 HG SER 77 HG SER 77 -11.915 -1.368 9.461 669 H ALA 78 H ALA 78 -10.713 -4.711 6.088 670 HA ALA 78 HA ALA 78 -13.193 -6.114 6.193 671 1HB ALA 78 1HB ALA 78 -10.915 -5.935 4.317 672 2HB ALA 78 2HB ALA 78 -12.647 -5.821 4.016 673 3HB ALA 78 3HB ALA 78 -11.894 -7.399 4.237 674 H MET 79 H MET 79 -9.862 -6.912 6.972 675 HA MET 79 HA MET 79 -10.274 -9.718 7.220 676 1HB MET 79 2HB MET 79 -8.061 -8.427 6.916 677 2HB MET 79 1HB MET 79 -8.124 -8.183 8.654 678 1HG MET 79 2HG MET 79 -8.488 -10.952 7.711 679 2HG MET 79 1HG MET 79 -6.887 -10.249 7.489 680 1HE MET 79 1HE MET 79 -7.346 -12.675 8.785 681 2HE MET 79 2HE MET 79 -8.267 -12.689 10.288 682 3HE MET 79 3HE MET 79 -6.504 -12.649 10.334 683 H LEU 80 H LEU 80 -10.481 -7.000 9.437 684 HA LEU 80 HA LEU 80 -10.670 -8.550 11.812 685 1HB LEU 80 2HB LEU 80 -11.667 -5.748 11.311 686 2HB LEU 80 1HB LEU 80 -11.391 -6.484 12.877 687 HG LEU 80 HG LEU 80 -9.074 -6.358 11.026 688 1HD1 LEU 80 1HD1 LEU 80 -10.516 -3.991 12.064 689 2HD1 LEU 80 2HD1 LEU 80 -9.523 -4.172 10.619 690 3HD1 LEU 80 3HD1 LEU 80 -8.758 -3.987 12.196 691 1HD2 LEU 80 1HD2 LEU 80 -7.864 -6.527 12.924 692 2HD2 LEU 80 2HD2 LEU 80 -9.374 -7.177 13.565 693 3HD2 LEU 80 3HD2 LEU 80 -8.953 -5.487 13.842 694 H TYR 81 H TYR 81 -13.061 -7.156 9.614 695 HA TYR 81 HA TYR 81 -15.219 -8.319 11.213 696 1HB TYR 81 2HB TYR 81 -15.130 -5.893 10.163 697 2HB TYR 81 1HB TYR 81 -15.741 -6.730 8.743 698 HD1 TYR 81 1HD TYR 81 -17.911 -7.993 8.913 699 HD2 TYR 81 2HD TYR 81 -16.546 -5.388 11.987 700 HE1 TYR 81 1HE TYR 81 -20.190 -7.891 9.829 701 HE2 TYR 81 2HE TYR 81 -18.822 -5.279 12.913 702 HH TYR 81 HH TYR 81 -21.553 -6.483 11.225 703 H GLU 82 H GLU 82 -13.302 -9.150 8.592 704 HA GLU 82 HA GLU 82 -13.378 -10.838 7.078 705 1HB GLU 82 2HB GLU 82 -15.333 -11.653 9.130 706 2HB GLU 82 1HB GLU 82 -15.528 -12.430 7.564 707 1HG GLU 82 2HG GLU 82 -12.944 -12.823 7.796 708 2HG GLU 82 1HG GLU 82 -13.292 -12.621 9.513 709 HA PRO 83 HA PRO 83 -16.176 -9.010 4.118 710 1HB PRO 83 2HB PRO 83 -15.348 -10.386 1.937 711 2HB PRO 83 1HB PRO 83 -14.410 -9.065 2.644 712 1HG PRO 83 2HG PRO 83 -14.066 -12.021 2.975 713 2HG PRO 83 1HG PRO 83 -12.832 -10.774 2.716 714 1HD PRO 83 2HD PRO 83 -13.374 -11.814 5.161 715 2HD PRO 83 1HD PRO 83 -12.824 -10.143 4.930 716 H ASP 84 H ASP 84 -15.904 -12.424 4.773 717 HA ASP 84 HA ASP 84 -18.336 -13.038 3.292 718 1HB ASP 84 2HB ASP 84 -16.264 -14.543 3.362 719 2HB ASP 84 1HB ASP 84 -16.761 -14.956 5.000 720 H TYR 85 H TYR 85 -18.015 -11.473 5.993 721 HA TYR 85 HA TYR 85 -19.913 -13.065 7.567 722 1HB TYR 85 2HB TYR 85 -17.627 -11.684 8.332 723 2HB TYR 85 1HB TYR 85 -18.941 -10.629 8.839 724 HD1 TYR 85 1HD TYR 85 -21.005 -12.218 9.853 725 HD2 TYR 85 2HD TYR 85 -16.826 -12.989 10.044 726 HE1 TYR 85 1HE TYR 85 -21.360 -13.616 11.845 727 HE2 TYR 85 2HE TYR 85 -17.171 -14.390 12.035 728 HH TYR 85 HH TYR 85 -19.778 -14.320 13.905 729 H GLU 86 H GLU 86 -21.920 -12.316 8.075 730 HA GLU 86 HA GLU 86 -23.159 -10.469 6.376 731 1HB GLU 86 2HB GLU 86 -24.025 -11.581 9.048 732 2HB GLU 86 1HB GLU 86 -25.060 -10.595 8.024 733 1HG GLU 86 2HG GLU 86 -25.378 -12.252 6.503 734 2HG GLU 86 1HG GLU 86 -23.805 -12.985 6.806 735 H LEU 87 H LEU 87 -22.375 -8.430 6.321 736 HA LEU 87 HA LEU 87 -21.774 -6.992 8.759 737 1HB LEU 87 2HB LEU 87 -20.542 -6.834 6.494 738 2HB LEU 87 1HB LEU 87 -21.865 -5.792 6.007 739 HG LEU 87 HG LEU 87 -20.097 -5.264 8.395 740 1HD1 LEU 87 1HD1 LEU 87 -19.996 -3.877 5.730 741 2HD1 LEU 87 2HD1 LEU 87 -18.929 -5.215 6.158 742 3HD1 LEU 87 3HD1 LEU 87 -18.881 -3.716 7.087 743 1HD2 LEU 87 1HD2 LEU 87 -22.450 -3.942 7.192 744 2HD2 LEU 87 2HD2 LEU 87 -21.134 -2.893 7.721 745 3HD2 LEU 87 3HD2 LEU 87 -21.905 -3.987 8.868 746 H ILE 88 H ILE 88 -24.261 -7.005 6.267 747 HA ILE 88 HA ILE 88 -26.233 -5.934 7.960 748 HB ILE 88 HB ILE 88 -24.975 -3.843 7.684 749 1HG1 ILE 88 2HG1 ILE 88 -26.877 -2.458 6.768 750 2HG1 ILE 88 1HG1 ILE 88 -27.673 -3.966 6.326 751 1HG2 ILE 88 1HG2 ILE 88 -24.735 -2.765 5.551 752 2HG2 ILE 88 2HG2 ILE 88 -25.628 -4.058 4.750 753 3HG2 ILE 88 3HG2 ILE 88 -24.044 -4.384 5.449 754 1HD1 ILE 88 1HD1 ILE 88 -27.031 -4.331 8.979 755 2HD1 ILE 88 2HD1 ILE 88 -28.611 -3.888 8.332 756 3HD1 ILE 88 3HD1 ILE 88 -27.502 -2.634 8.890 757 H ARG 89 H ARG 89 -25.141 -6.127 4.590 758 HA ARG 89 HA ARG 89 -26.165 -6.850 2.692 759 1HB ARG 89 2HB ARG 89 -28.049 -8.243 4.604 760 2HB ARG 89 1HB ARG 89 -27.841 -8.615 2.897 761 1HG ARG 89 2HG ARG 89 -25.282 -8.797 3.920 762 2HG ARG 89 1HG ARG 89 -26.297 -9.480 5.193 763 1HD ARG 89 2HD ARG 89 -26.235 -11.375 4.013 764 2HD ARG 89 1HD ARG 89 -27.349 -10.580 2.901 765 HE ARG 89 HE ARG 89 -25.658 -10.436 1.365 766 1HH1 ARG 89 1HH1 ARG 89 -24.286 -11.173 4.487 767 2HH1 ARG 89 2HH1 ARG 89 -22.696 -11.457 3.862 768 1HH2 ARG 89 1HH2 ARG 89 -23.568 -10.807 0.541 769 2HH2 ARG 89 2HH2 ARG 89 -22.288 -11.248 1.621 770 H ASN 90 H ASN 90 -26.795 -4.652 2.265 771 HA ASN 90 HA ASN 90 -29.506 -4.376 1.602 772 1HB ASN 90 2HB ASN 90 -29.387 -4.011 4.214 773 2HB ASN 90 1HB ASN 90 -28.831 -2.406 3.749 774 1HD2 ASN 90 1HD2 ASN 90 -30.224 -1.050 2.579 775 2HD2 ASN 90 2HD2 ASN 90 -31.932 -1.301 2.578 776 H GLY 91 H GLY 91 -26.532 -2.665 2.457 777 1HA GLY 91 2HA GLY 91 -25.271 -1.397 0.907 778 2HA GLY 91 1HA GLY 91 -26.713 -1.220 -0.083 779 H LEU 92 H LEU 92 -25.352 1.006 0.211 780 HA LEU 92 HA LEU 92 -26.526 2.487 2.455 781 1HB LEU 92 2HB LEU 92 -24.017 2.630 1.009 782 2HB LEU 92 1HB LEU 92 -24.811 4.191 1.058 783 HG LEU 92 HG LEU 92 -23.238 3.926 2.909 784 1HD1 LEU 92 1HD1 LEU 92 -24.635 4.731 4.629 785 2HD1 LEU 92 2HD1 LEU 92 -26.032 3.846 4.013 786 3HD1 LEU 92 3HD1 LEU 92 -25.398 5.228 3.117 787 1HD2 LEU 92 1HD2 LEU 92 -24.265 2.265 4.741 788 2HD2 LEU 92 2HD2 LEU 92 -23.039 1.771 3.573 789 3HD2 LEU 92 3HD2 LEU 92 -24.738 1.406 3.274 790 H LYS 93 H LYS 93 -27.138 4.805 1.918 791 HA LYS 93 HA LYS 93 -28.023 5.356 -0.755 792 1HB LYS 93 2HB LYS 93 -30.445 5.558 -0.101 793 2HB LYS 93 1HB LYS 93 -29.839 3.910 -0.203 794 1HG LYS 93 2HG LYS 93 -29.631 3.816 2.215 795 2HG LYS 93 1HG LYS 93 -30.182 5.488 2.340 796 1HD LYS 93 2HD LYS 93 -31.810 3.282 1.089 797 2HD LYS 93 1HD LYS 93 -31.938 3.746 2.787 798 1HE LYS 93 2HE LYS 93 -32.113 5.989 0.914 799 2HE LYS 93 1HE LYS 93 -33.410 4.807 0.742 800 1HZ LYS 93 1HZ LYS 93 -33.701 5.019 3.217 801 2HZ LYS 93 2HZ LYS 93 -34.145 6.376 2.310 802 3HZ LYS 93 3HZ LYS 93 -32.677 6.365 3.152 803 H GLN 94 H GLN 94 -26.337 6.904 0.391 804 HA GLN 94 HA GLN 94 -27.707 8.993 1.906 805 1HB GLN 94 2HB GLN 94 -25.468 8.132 2.636 806 2HB GLN 94 1HB GLN 94 -24.781 8.815 1.169 807 1HG GLN 94 2HG GLN 94 -24.366 10.574 2.489 808 2HG GLN 94 1HG GLN 94 -26.050 10.976 2.153 809 1HE2 GLN 94 1HE2 GLN 94 -27.645 10.010 3.697 810 2HE2 GLN 94 2HE2 GLN 94 -27.213 9.993 5.369 811 H LYS 95 H LYS 95 -28.820 9.038 -0.449 812 HA LYS 95 HA LYS 95 -29.404 10.514 -2.091 813 1HB LYS 95 2HB LYS 95 -28.050 12.134 -0.411 814 2HB LYS 95 1HB LYS 95 -27.007 12.228 -1.822 815 1HG LYS 95 2HG LYS 95 -29.401 12.604 -2.988 816 2HG LYS 95 1HG LYS 95 -29.715 13.294 -1.395 817 1HD LYS 95 2HD LYS 95 -28.793 15.160 -2.222 818 2HD LYS 95 1HD LYS 95 -27.253 14.328 -2.006 819 1HE LYS 95 2HE LYS 95 -27.013 14.825 -4.199 820 2HE LYS 95 1HE LYS 95 -27.956 13.351 -4.401 821 1HZ LYS 95 1HZ LYS 95 -29.164 16.055 -4.251 822 2HZ LYS 95 2HZ LYS 95 -29.928 14.613 -4.693 823 3HZ LYS 95 3HZ LYS 95 -28.757 15.295 -5.707 824 H GLU 96 H GLU 96 -26.828 8.533 -2.067 825 HA GLU 96 HA GLU 96 -26.667 8.132 -4.781 826 1HB GLU 96 2HB GLU 96 -25.343 10.526 -4.111 827 2HB GLU 96 1HB GLU 96 -24.076 9.345 -4.411 828 1HG GLU 96 2HG GLU 96 -24.896 8.913 -6.607 829 2HG GLU 96 1HG GLU 96 -26.342 9.876 -6.313 830 H ALA 97 H ALA 97 -25.633 6.251 -5.143 831 HA ALA 97 HA ALA 97 -24.531 4.825 -2.939 832 1HB ALA 97 1HB ALA 97 -25.718 4.065 -5.235 833 2HB ALA 97 2HB ALA 97 -24.733 2.994 -4.238 834 3HB ALA 97 3HB ALA 97 -24.027 3.784 -5.649 835 H LYS 98 H LYS 98 -23.189 6.664 -5.584 836 HA LYS 98 HA LYS 98 -20.525 6.317 -4.415 837 1HB LYS 98 2HB LYS 98 -21.094 4.900 -6.594 838 2HB LYS 98 1HB LYS 98 -20.719 6.423 -7.388 839 1HG LYS 98 2HG LYS 98 -18.828 5.272 -5.384 840 2HG LYS 98 1HG LYS 98 -18.853 4.666 -7.041 841 1HD LYS 98 2HD LYS 98 -17.567 6.373 -7.650 842 2HD LYS 98 1HD LYS 98 -18.866 7.481 -7.207 843 1HE LYS 98 2HE LYS 98 -17.822 6.941 -4.773 844 2HE LYS 98 1HE LYS 98 -16.381 6.797 -5.778 845 1HZ LYS 98 1HZ LYS 98 -17.937 9.145 -5.098 846 2HZ LYS 98 2HZ LYS 98 -17.444 9.061 -6.714 847 3HZ LYS 98 3HZ LYS 98 -16.294 9.006 -5.475 Start of MODEL 2 1 1H MET 1 H MET 1 16.569 -4.008 3.939 2 HA MET 1 HA MET 1 16.852 -2.767 1.284 3 1HB MET 1 2HB MET 1 14.435 -3.897 2.714 4 2HB MET 1 1HB MET 1 14.282 -2.845 1.311 5 1HG MET 1 2HG MET 1 14.999 -4.437 -0.129 6 2HG MET 1 1HG MET 1 16.084 -5.163 1.048 7 1HE MET 1 1HE MET 1 15.355 -6.497 3.030 8 2HE MET 1 2HE MET 1 15.520 -7.700 1.752 9 3HE MET 1 3HE MET 1 14.141 -7.761 2.847 10 H ASP 2 H ASP 2 15.897 -0.509 1.049 11 HA ASP 2 HA ASP 2 15.345 0.729 3.680 12 1HB ASP 2 2HB ASP 2 17.096 2.117 1.664 13 2HB ASP 2 1HB ASP 2 16.805 2.560 3.338 14 H LEU 3 H LEU 3 13.925 2.544 3.580 15 HA LEU 3 HA LEU 3 12.678 2.695 0.934 16 1HB LEU 3 2HB LEU 3 11.590 1.903 3.338 17 2HB LEU 3 1HB LEU 3 10.992 3.530 3.152 18 HG LEU 3 HG LEU 3 9.766 1.333 2.194 19 1HD1 LEU 3 1HD1 LEU 3 8.250 2.887 1.836 20 2HD1 LEU 3 2HD1 LEU 3 9.137 3.448 0.421 21 3HD1 LEU 3 3HD1 LEU 3 9.490 4.128 2.009 22 1HD2 LEU 3 1HD2 LEU 3 11.557 0.912 0.545 23 2HD2 LEU 3 2HD2 LEU 3 11.200 2.477 -0.189 24 3HD2 LEU 3 3HD2 LEU 3 9.986 1.211 -0.187 25 H ILE 4 H ILE 4 12.923 4.571 -0.112 26 HA ILE 4 HA ILE 4 12.916 7.041 1.541 27 HB ILE 4 HB ILE 4 13.618 7.042 -1.363 28 1HG1 ILE 4 2HG1 ILE 4 14.999 5.289 -0.275 29 2HG1 ILE 4 1HG1 ILE 4 15.958 6.633 -0.892 30 1HG2 ILE 4 1HG2 ILE 4 13.655 9.215 -0.783 31 2HG2 ILE 4 2HG2 ILE 4 15.252 8.834 -0.140 32 3HG2 ILE 4 3HG2 ILE 4 13.851 8.860 0.933 33 1HD1 ILE 4 1HD1 ILE 4 15.124 6.902 1.904 34 2HD1 ILE 4 2HD1 ILE 4 16.690 7.196 1.149 35 3HD1 ILE 4 3HD1 ILE 4 16.211 5.554 1.576 36 H ILE 5 H ILE 5 10.893 7.705 1.659 37 HA ILE 5 HA ILE 5 9.221 7.382 -0.699 38 HB ILE 5 HB ILE 5 7.336 7.645 1.056 39 1HG1 ILE 5 2HG1 ILE 5 7.814 6.663 3.177 40 2HG1 ILE 5 1HG1 ILE 5 9.449 6.241 2.684 41 1HG2 ILE 5 1HG2 ILE 5 7.332 5.814 -0.295 42 2HG2 ILE 5 2HG2 ILE 5 7.611 5.076 1.281 43 3HG2 ILE 5 3HG2 ILE 5 8.962 5.338 0.175 44 1HD1 ILE 5 1HD1 ILE 5 9.922 8.031 3.973 45 2HD1 ILE 5 2HD1 ILE 5 8.359 8.792 3.692 46 3HD1 ILE 5 3HD1 ILE 5 9.622 8.890 2.469 47 H LYS 6 H LYS 6 7.782 8.757 -1.443 48 HA LYS 6 HA LYS 6 7.632 11.442 -0.281 49 1HB LYS 6 2HB LYS 6 8.852 10.987 -2.717 50 2HB LYS 6 1HB LYS 6 7.197 11.352 -3.188 51 1HG LYS 6 2HG LYS 6 7.661 13.338 -1.415 52 2HG LYS 6 1HG LYS 6 9.279 13.099 -2.078 53 1HD LYS 6 2HD LYS 6 8.706 13.906 -4.105 54 2HD LYS 6 1HD LYS 6 7.109 13.156 -4.064 55 1HE LYS 6 2HE LYS 6 6.135 14.964 -3.098 56 2HE LYS 6 1HE LYS 6 7.581 15.392 -2.185 57 1HZ LYS 6 1HZ LYS 6 6.732 16.782 -4.265 58 2HZ LYS 6 2HZ LYS 6 7.728 15.684 -5.079 59 3HZ LYS 6 3HZ LYS 6 8.370 16.663 -3.859 60 H GLU 7 H GLU 7 6.074 9.752 0.605 61 HA GLU 7 HA GLU 7 3.858 8.776 -0.702 62 1HB GLU 7 2HB GLU 7 3.875 9.424 2.194 63 2HB GLU 7 1HB GLU 7 3.101 8.078 1.374 64 1HG GLU 7 2HG GLU 7 4.900 6.895 2.057 65 2HG GLU 7 1HG GLU 7 5.717 7.662 0.696 66 H LYS 8 H LYS 8 1.819 9.342 -1.197 67 HA LYS 8 HA LYS 8 0.770 11.801 -0.080 68 1HB LYS 8 2HB LYS 8 0.898 11.123 -3.021 69 2HB LYS 8 1HB LYS 8 -0.219 12.311 -2.371 70 1HG LYS 8 2HG LYS 8 1.436 13.828 -1.925 71 2HG LYS 8 1HG LYS 8 2.678 12.587 -1.757 72 1HD LYS 8 2HD LYS 8 2.229 12.188 -4.295 73 2HD LYS 8 1HD LYS 8 1.543 13.813 -4.238 74 1HE LYS 8 2HE LYS 8 3.557 14.795 -3.974 75 2HE LYS 8 1HE LYS 8 4.166 13.504 -2.938 76 1HZ LYS 8 1HZ LYS 8 3.762 12.787 -5.720 77 2HZ LYS 8 2HZ LYS 8 5.036 12.404 -4.675 78 3HZ LYS 8 3HZ LYS 8 4.992 13.914 -5.436 79 H ARG 9 H ARG 9 -1.464 11.498 0.462 80 HA ARG 9 HA ARG 9 -2.589 8.946 -0.501 81 1HB ARG 9 2HB ARG 9 -3.599 8.635 1.751 82 2HB ARG 9 1HB ARG 9 -1.844 8.551 1.728 83 1HG ARG 9 2HG ARG 9 -1.732 10.123 3.275 84 2HG ARG 9 1HG ARG 9 -2.588 11.246 2.216 85 1HD ARG 9 2HD ARG 9 -4.656 9.763 3.078 86 2HD ARG 9 1HD ARG 9 -3.587 9.621 4.474 87 HE ARG 9 HE ARG 9 -5.101 11.894 3.736 88 1HH1 ARG 9 1HH1 ARG 9 -2.002 10.984 5.055 89 2HH1 ARG 9 2HH1 ARG 9 -1.802 12.463 5.933 90 1HH2 ARG 9 1HH2 ARG 9 -4.839 13.841 4.890 91 2HH2 ARG 9 2HH2 ARG 9 -3.413 14.085 5.839 92 H ASP 10 H ASP 10 -4.632 8.840 -1.092 93 HA ASP 10 HA ASP 10 -6.379 11.139 -0.550 94 1HB ASP 10 2HB ASP 10 -5.432 10.913 -2.974 95 2HB ASP 10 1HB ASP 10 -6.577 9.583 -3.116 96 H ASN 11 H ASN 11 -8.023 10.435 0.703 97 HA ASN 11 HA ASN 11 -8.800 7.637 0.285 98 1HB ASN 11 2HB ASN 11 -9.763 7.789 2.595 99 2HB ASN 11 1HB ASN 11 -8.016 7.993 2.520 100 1HD2 ASN 11 1HD2 ASN 11 -7.118 10.010 2.916 101 2HD2 ASN 11 2HD2 ASN 11 -8.010 11.278 3.679 102 HA PRO 12 HA PRO 12 -12.782 9.473 -0.797 103 1HB PRO 12 2HB PRO 12 -13.186 8.028 -2.979 104 2HB PRO 12 1HB PRO 12 -11.857 9.193 -2.963 105 1HG PRO 12 2HG PRO 12 -11.761 6.235 -2.814 106 2HG PRO 12 1HG PRO 12 -10.542 7.371 -3.415 107 1HD PRO 12 2HD PRO 12 -10.754 6.177 -0.782 108 2HD PRO 12 1HD PRO 12 -9.460 7.205 -1.425 109 H ILE 13 H ILE 13 -13.769 6.635 -2.199 110 HA ILE 13 HA ILE 13 -15.466 5.902 -0.026 111 HB ILE 13 HB ILE 13 -16.370 4.265 -1.468 112 1HG1 ILE 13 2HG1 ILE 13 -13.734 4.414 -2.943 113 2HG1 ILE 13 1HG1 ILE 13 -14.387 3.043 -2.060 114 1HG2 ILE 13 1HG2 ILE 13 -15.542 6.010 -3.686 115 2HG2 ILE 13 2HG2 ILE 13 -16.204 6.841 -2.279 116 3HG2 ILE 13 3HG2 ILE 13 -17.155 5.603 -3.100 117 1HD1 ILE 13 1HD1 ILE 13 -15.678 4.160 -4.527 118 2HD1 ILE 13 2HD1 ILE 13 -15.979 2.611 -3.739 119 3HD1 ILE 13 3HD1 ILE 13 -14.445 2.899 -4.563 120 H LEU 14 H LEU 14 -12.578 4.554 -1.546 121 HA LEU 14 HA LEU 14 -12.450 2.498 0.519 122 1HB LEU 14 2HB LEU 14 -11.328 1.101 -0.966 123 2HB LEU 14 1HB LEU 14 -12.631 1.838 -1.873 124 HG LEU 14 HG LEU 14 -11.006 2.023 -3.427 125 1HD1 LEU 14 1HD1 LEU 14 -11.540 4.302 -3.129 126 2HD1 LEU 14 2HD1 LEU 14 -9.789 4.222 -3.288 127 3HD1 LEU 14 3HD1 LEU 14 -10.520 4.440 -1.702 128 1HD2 LEU 14 1HD2 LEU 14 -8.779 2.584 -1.524 129 2HD2 LEU 14 2HD2 LEU 14 -8.748 1.759 -3.081 130 3HD2 LEU 14 3HD2 LEU 14 -9.407 0.943 -1.662 131 H LYS 15 H LYS 15 -11.201 5.357 0.665 132 HA LYS 15 HA LYS 15 -9.235 6.265 1.407 133 1HB LYS 15 2HB LYS 15 -8.299 5.128 3.339 134 2HB LYS 15 1HB LYS 15 -10.055 5.085 3.343 135 1HG LYS 15 2HG LYS 15 -8.587 2.763 2.216 136 2HG LYS 15 1HG LYS 15 -8.647 2.974 3.964 137 1HD LYS 15 2HD LYS 15 -11.247 3.371 2.719 138 2HD LYS 15 1HD LYS 15 -10.586 1.766 2.397 139 1HE LYS 15 2HE LYS 15 -11.591 1.321 4.384 140 2HE LYS 15 1HE LYS 15 -10.049 1.910 5.004 141 1HZ LYS 15 1HZ LYS 15 -12.330 2.845 5.871 142 2HZ LYS 15 2HZ LYS 15 -12.170 3.869 4.534 143 3HZ LYS 15 3HZ LYS 15 -10.970 3.840 5.727 144 H ARG 16 H ARG 16 -8.526 5.630 -1.077 145 HA ARG 16 HA ARG 16 -6.246 3.795 -0.996 146 1HB ARG 16 2HB ARG 16 -7.934 3.722 -2.858 147 2HB ARG 16 1HB ARG 16 -7.350 5.295 -3.372 148 1HG ARG 16 2HG ARG 16 -5.046 3.805 -3.183 149 2HG ARG 16 1HG ARG 16 -6.227 2.652 -3.806 150 1HD ARG 16 2HD ARG 16 -6.686 5.002 -5.235 151 2HD ARG 16 1HD ARG 16 -4.931 4.867 -5.133 152 HE ARG 16 HE ARG 16 -6.153 2.405 -5.894 153 1HH1 ARG 16 1HH1 ARG 16 -5.138 5.519 -7.102 154 2HH1 ARG 16 2HH1 ARG 16 -4.918 4.957 -8.724 155 1HH2 ARG 16 1HH2 ARG 16 -5.863 1.665 -8.029 156 2HH2 ARG 16 2HH2 ARG 16 -5.330 2.769 -9.250 157 H LYS 17 H LYS 17 -4.114 4.423 -1.153 158 HA LYS 17 HA LYS 17 -3.743 7.327 -1.483 159 1HB LYS 17 2HB LYS 17 -1.976 7.337 0.105 160 2HB LYS 17 1HB LYS 17 -3.366 6.542 0.821 161 1HG LYS 17 2HG LYS 17 -1.529 5.270 1.481 162 2HG LYS 17 1HG LYS 17 -2.261 4.354 0.162 163 1HD LYS 17 2HD LYS 17 -0.304 6.239 -0.818 164 2HD LYS 17 1HD LYS 17 0.398 5.146 0.378 165 1HE LYS 17 2HE LYS 17 0.401 3.477 -1.089 166 2HE LYS 17 1HE LYS 17 -1.313 3.705 -1.394 167 1HZ LYS 17 1HZ LYS 17 0.771 4.191 -3.107 168 2HZ LYS 17 2HZ LYS 17 0.175 5.697 -2.659 169 3HZ LYS 17 3HZ LYS 17 -0.856 4.559 -3.343 170 H GLU 18 H GLU 18 -1.692 8.103 -2.342 171 HA GLU 18 HA GLU 18 -0.425 6.238 -4.244 172 1HB GLU 18 2HB GLU 18 -0.537 8.940 -5.269 173 2HB GLU 18 1HB GLU 18 -1.031 7.438 -6.033 174 1HG GLU 18 2HG GLU 18 -3.218 7.602 -5.163 175 2HG GLU 18 1HG GLU 18 -2.756 8.888 -4.049 176 H ILE 19 H ILE 19 1.578 6.111 -3.505 177 HA ILE 19 HA ILE 19 2.970 8.584 -2.785 178 HB ILE 19 HB ILE 19 3.953 7.669 -0.880 179 1HG1 ILE 19 2HG1 ILE 19 4.645 5.544 -1.690 180 2HG1 ILE 19 1HG1 ILE 19 3.686 5.307 -0.228 181 1HG2 ILE 19 1HG2 ILE 19 1.069 7.256 -1.153 182 2HG2 ILE 19 2HG2 ILE 19 1.971 8.107 0.091 183 3HG2 ILE 19 3HG2 ILE 19 1.811 6.358 0.168 184 1HD1 ILE 19 1HD1 ILE 19 2.727 3.741 -1.543 185 2HD1 ILE 19 2HD1 ILE 19 3.075 4.627 -3.018 186 3HD1 ILE 19 3HD1 ILE 19 1.760 5.131 -1.977 187 H LYS 20 H LYS 20 5.156 8.662 -3.155 188 HA LYS 20 HA LYS 20 6.054 6.729 -5.198 189 1HB LYS 20 2HB LYS 20 7.335 8.406 -6.066 190 2HB LYS 20 1HB LYS 20 6.185 9.425 -5.205 191 1HG LYS 20 2HG LYS 20 8.158 10.306 -4.480 192 2HG LYS 20 1HG LYS 20 7.857 9.112 -3.220 193 1HD LYS 20 2HD LYS 20 9.588 7.815 -3.853 194 2HD LYS 20 1HD LYS 20 9.309 8.103 -5.570 195 1HE LYS 20 2HE LYS 20 11.086 9.444 -5.556 196 2HE LYS 20 1HE LYS 20 10.161 10.561 -4.553 197 1HZ LYS 20 1HZ LYS 20 11.950 8.392 -3.592 198 2HZ LYS 20 2HZ LYS 20 10.994 9.363 -2.590 199 3HZ LYS 20 3HZ LYS 20 12.241 10.057 -3.498 200 H TYR 21 H TYR 21 7.761 5.334 -4.817 201 HA TYR 21 HA TYR 21 9.240 5.675 -2.288 202 1HB TYR 21 2HB TYR 21 8.548 3.666 -1.425 203 2HB TYR 21 1HB TYR 21 7.124 4.099 -2.345 204 HD1 TYR 21 1HD TYR 21 7.580 3.389 -5.029 205 HD2 TYR 21 2HD TYR 21 8.964 1.403 -1.541 206 HE1 TYR 21 1HE TYR 21 7.729 1.290 -6.296 207 HE2 TYR 21 2HE TYR 21 9.125 -0.707 -2.793 208 HH TYR 21 HH TYR 21 7.652 -1.411 -5.400 209 H VAL 22 H VAL 22 11.191 4.683 -2.075 210 HA VAL 22 HA VAL 22 12.292 3.205 -4.359 211 HB VAL 22 HB VAL 22 13.207 5.781 -3.972 212 1HG1 VAL 22 1HG1 VAL 22 14.175 4.945 -1.764 213 2HG1 VAL 22 2HG1 VAL 22 15.276 5.797 -2.843 214 3HG1 VAL 22 3HG1 VAL 22 15.325 4.037 -2.742 215 1HG2 VAL 22 1HG2 VAL 22 14.504 5.271 -5.744 216 2HG2 VAL 22 2HG2 VAL 22 13.771 3.676 -5.643 217 3HG2 VAL 22 3HG2 VAL 22 15.326 3.972 -4.883 218 H LEU 23 H LEU 23 13.296 1.371 -3.665 219 HA LEU 23 HA LEU 23 13.617 1.043 -0.817 220 1HB LEU 23 2HB LEU 23 11.993 -0.465 -2.028 221 2HB LEU 23 1HB LEU 23 13.323 -1.051 -3.004 222 HG LEU 23 HG LEU 23 14.128 -1.451 -0.337 223 1HD1 LEU 23 1HD1 LEU 23 11.619 -1.092 0.097 224 2HD1 LEU 23 2HD1 LEU 23 12.385 -2.527 0.778 225 3HD1 LEU 23 3HD1 LEU 23 11.406 -2.657 -0.682 226 1HD2 LEU 23 1HD2 LEU 23 14.843 -3.087 -1.748 227 2HD2 LEU 23 2HD2 LEU 23 13.335 -3.114 -2.662 228 3HD2 LEU 23 3HD2 LEU 23 13.428 -3.910 -1.091 229 H LYS 24 H LYS 24 15.690 0.817 -0.136 230 HA LYS 24 HA LYS 24 17.702 0.551 -2.250 231 1HB LYS 24 2HB LYS 24 18.243 1.192 0.643 232 2HB LYS 24 1HB LYS 24 19.277 1.508 -0.736 233 1HG LYS 24 2HG LYS 24 17.758 3.222 -1.529 234 2HG LYS 24 1HG LYS 24 16.636 2.864 -0.216 235 1HD LYS 24 2HD LYS 24 17.981 3.834 1.380 236 2HD LYS 24 1HD LYS 24 19.455 3.581 0.442 237 1HE LYS 24 2HE LYS 24 17.445 5.360 -0.773 238 2HE LYS 24 1HE LYS 24 18.216 5.964 0.694 239 1HZ LYS 24 1HZ LYS 24 20.383 5.320 -0.461 240 2HZ LYS 24 2HZ LYS 24 19.581 6.701 -1.019 241 3HZ LYS 24 3HZ LYS 24 19.470 5.253 -1.884 242 H PHE 25 H PHE 25 18.506 -1.333 -2.582 243 HA PHE 25 HA PHE 25 18.324 -3.295 -0.430 244 1HB PHE 25 2HB PHE 25 18.357 -4.915 -2.343 245 2HB PHE 25 1HB PHE 25 16.923 -3.937 -2.204 246 HD1 PHE 25 1HD PHE 25 19.991 -4.534 -4.122 247 HD2 PHE 25 2HD PHE 25 16.323 -2.385 -3.926 248 HE1 PHE 25 1HE PHE 25 20.263 -3.871 -6.474 249 HE2 PHE 25 2HE PHE 25 16.593 -1.714 -6.277 250 HZ PHE 25 HZ PHE 25 18.560 -2.459 -7.554 251 H ASP 26 H ASP 26 20.003 -4.329 0.266 252 HA ASP 26 HA ASP 26 22.624 -3.517 -0.678 253 1HB ASP 26 2HB ASP 26 23.480 -4.601 1.301 254 2HB ASP 26 1HB ASP 26 22.061 -3.649 1.738 255 H SER 27 H SER 27 24.013 -4.696 -1.847 256 HA SER 27 HA SER 27 23.167 -6.891 -3.344 257 1HB SER 27 2HB SER 27 25.462 -5.251 -3.213 258 2HB SER 27 1HB SER 27 26.035 -6.914 -3.085 259 HG SER 27 HG SER 27 24.604 -7.293 -4.971 260 H SER 28 H SER 28 24.286 -9.048 -3.405 261 HA SER 28 HA SER 28 24.577 -11.096 -2.456 262 1HB SER 28 2HB SER 28 26.611 -9.559 -1.584 263 2HB SER 28 1HB SER 28 25.883 -9.982 -0.036 264 HG SER 28 HG SER 28 27.544 -11.454 -0.967 265 H ARG 29 H ARG 29 22.235 -9.389 -1.641 266 HA ARG 29 HA ARG 29 21.574 -10.831 0.840 267 1HB ARG 29 2HB ARG 29 21.846 -8.331 1.069 268 2HB ARG 29 1HB ARG 29 20.440 -8.158 0.031 269 1HG ARG 29 2HG ARG 29 19.906 -9.980 2.201 270 2HG ARG 29 1HG ARG 29 20.477 -8.425 2.800 271 1HD ARG 29 2HD ARG 29 17.915 -8.905 2.291 272 2HD ARG 29 1HD ARG 29 18.639 -7.317 2.074 273 HE ARG 29 HE ARG 29 18.196 -9.227 -0.125 274 1HH1 ARG 29 1HH1 ARG 29 18.284 -5.962 1.101 275 2HH1 ARG 29 2HH1 ARG 29 17.770 -5.261 -0.392 276 1HH2 ARG 29 1HH2 ARG 29 17.528 -8.304 -2.087 277 2HH2 ARG 29 2HH2 ARG 29 17.343 -6.586 -2.202 278 H THR 30 H THR 30 19.360 -11.435 1.114 279 HA THR 30 HA THR 30 18.026 -11.944 -1.448 280 HB THR 30 HB THR 30 18.761 -13.789 0.230 281 HG1 THR 30 1HG THR 30 17.582 -14.485 -1.433 282 1HG2 THR 30 1HG2 THR 30 17.664 -12.816 2.214 283 2HG2 THR 30 2HG2 THR 30 17.138 -14.459 1.854 284 3HG2 THR 30 3HG2 THR 30 16.101 -13.093 1.446 285 HA PRO 31 HA PRO 31 15.008 -8.831 -0.363 286 1HB PRO 31 2HB PRO 31 13.009 -9.828 -2.020 287 2HB PRO 31 1HB PRO 31 14.263 -8.684 -2.504 288 1HG PRO 31 2HG PRO 31 14.144 -11.643 -2.884 289 2HG PRO 31 1HG PRO 31 14.749 -10.393 -3.986 290 1HD PRO 31 2HD PRO 31 16.423 -11.931 -2.575 291 2HD PRO 31 1HD PRO 31 16.778 -10.215 -2.867 292 H SER 32 H SER 32 13.360 -8.697 1.096 293 HA SER 32 HA SER 32 12.303 -11.256 2.110 294 1HB SER 32 2HB SER 32 13.693 -9.477 3.526 295 2HB SER 32 1HB SER 32 12.106 -8.726 3.683 296 HG SER 32 HG SER 32 13.015 -10.659 5.133 297 H ARG 33 H ARG 33 10.075 -11.364 2.732 298 HA ARG 33 HA ARG 33 8.347 -9.913 0.978 299 1HB ARG 33 2HB ARG 33 6.530 -11.212 1.921 300 2HB ARG 33 1HB ARG 33 7.888 -12.255 1.546 301 1HG ARG 33 2HG ARG 33 7.576 -11.211 4.322 302 2HG ARG 33 1HG ARG 33 6.567 -12.538 3.768 303 1HD ARG 33 2HD ARG 33 8.224 -13.959 4.139 304 2HD ARG 33 1HD ARG 33 9.225 -13.101 2.973 305 HE ARG 33 HE ARG 33 9.324 -11.681 5.365 306 1HH1 ARG 33 1HH1 ARG 33 10.287 -14.805 4.142 307 2HH1 ARG 33 2HH1 ARG 33 11.616 -14.964 5.239 308 1HH2 ARG 33 1HH2 ARG 33 11.072 -11.889 6.809 309 2HH2 ARG 33 2HH2 ARG 33 12.062 -13.309 6.755 310 H GLU 34 H GLU 34 8.823 -9.961 4.485 311 HA GLU 34 HA GLU 34 6.928 -7.878 5.004 312 1HB GLU 34 2HB GLU 34 8.718 -9.605 6.545 313 2HB GLU 34 1HB GLU 34 8.589 -7.978 7.204 314 1HG GLU 34 2HG GLU 34 6.850 -8.912 8.292 315 2HG GLU 34 1HG GLU 34 6.004 -8.452 6.815 316 H GLU 35 H GLU 35 10.481 -8.037 4.971 317 HA GLU 35 HA GLU 35 10.971 -5.403 5.692 318 1HB GLU 35 2HB GLU 35 12.541 -7.520 5.178 319 2HB GLU 35 1HB GLU 35 12.802 -6.603 3.700 320 1HG GLU 35 2HG GLU 35 14.473 -5.755 4.981 321 2HG GLU 35 1HG GLU 35 13.183 -4.628 5.398 322 H ILE 36 H ILE 36 10.723 -6.739 2.375 323 HA ILE 36 HA ILE 36 11.099 -4.219 1.148 324 HB ILE 36 HB ILE 36 11.358 -6.550 0.099 325 1HG1 ILE 36 2HG1 ILE 36 11.586 -4.343 -1.071 326 2HG1 ILE 36 1HG1 ILE 36 11.112 -5.680 -2.106 327 1HG2 ILE 36 1HG2 ILE 36 8.452 -6.154 -0.568 328 2HG2 ILE 36 2HG2 ILE 36 9.062 -7.323 0.603 329 3HG2 ILE 36 3HG2 ILE 36 9.499 -7.470 -1.098 330 1HD1 ILE 36 1HD1 ILE 36 8.731 -4.509 -1.194 331 2HD1 ILE 36 2HD1 ILE 36 9.414 -4.465 -2.818 332 3HD1 ILE 36 3HD1 ILE 36 9.798 -3.188 -1.667 333 H LYS 37 H LYS 37 8.158 -6.107 1.625 334 HA LYS 37 HA LYS 37 6.381 -4.095 0.709 335 1HB LYS 37 2HB LYS 37 5.844 -6.573 2.310 336 2HB LYS 37 1HB LYS 37 4.590 -5.530 1.655 337 1HG LYS 37 2HG LYS 37 4.970 -6.194 -0.507 338 2HG LYS 37 1HG LYS 37 6.643 -6.653 -0.185 339 1HD LYS 37 2HD LYS 37 5.849 -8.753 -0.185 340 2HD LYS 37 1HD LYS 37 5.286 -8.366 1.440 341 1HE LYS 37 2HE LYS 37 3.321 -7.373 -0.284 342 2HE LYS 37 1HE LYS 37 3.768 -8.946 -0.942 343 1HZ LYS 37 1HZ LYS 37 3.571 -9.520 1.653 344 2HZ LYS 37 2HZ LYS 37 2.288 -9.673 0.562 345 3HZ LYS 37 3HZ LYS 37 2.411 -8.295 1.536 346 H GLU 38 H GLU 38 6.911 -5.211 4.029 347 HA GLU 38 HA GLU 38 5.162 -3.265 5.023 348 1HB GLU 38 2HB GLU 38 7.512 -4.496 6.400 349 2HB GLU 38 1HB GLU 38 6.174 -3.666 7.160 350 1HG GLU 38 2HG GLU 38 4.669 -5.413 6.158 351 2HG GLU 38 1HG GLU 38 6.133 -6.297 5.736 352 H LEU 39 H LEU 39 8.758 -3.199 4.829 353 HA LEU 39 HA LEU 39 9.039 -0.630 5.842 354 1HB LEU 39 2HB LEU 39 11.078 -1.587 5.659 355 2HB LEU 39 1HB LEU 39 10.677 -2.402 4.170 356 HG LEU 39 HG LEU 39 11.044 0.534 4.076 357 1HD1 LEU 39 1HD1 LEU 39 13.486 -1.069 3.701 358 2HD1 LEU 39 2HD1 LEU 39 12.952 -0.861 5.369 359 3HD1 LEU 39 3HD1 LEU 39 13.279 0.553 4.365 360 1HD2 LEU 39 1HD2 LEU 39 10.468 -0.290 2.016 361 2HD2 LEU 39 2HD2 LEU 39 11.308 -1.816 2.268 362 3HD2 LEU 39 3HD2 LEU 39 12.226 -0.353 1.915 363 H ILE 40 H ILE 40 8.029 -1.641 2.625 364 HA ILE 40 HA ILE 40 8.241 1.018 1.581 365 HB ILE 40 HB ILE 40 7.189 0.253 -0.429 366 1HG1 ILE 40 2HG1 ILE 40 6.825 -2.324 1.064 367 2HG1 ILE 40 1HG1 ILE 40 5.550 -1.297 0.421 368 1HG2 ILE 40 1HG2 ILE 40 9.355 -0.199 -0.763 369 2HG2 ILE 40 2HG2 ILE 40 8.852 -1.875 -0.625 370 3HG2 ILE 40 3HG2 ILE 40 9.520 -1.042 0.770 371 1HD1 ILE 40 1HD1 ILE 40 7.088 -1.800 -1.777 372 2HD1 ILE 40 2HD1 ILE 40 5.606 -2.652 -1.343 373 3HD1 ILE 40 3HD1 ILE 40 7.176 -3.319 -0.888 374 H ALA 41 H ALA 41 5.412 -0.995 2.483 375 HA ALA 41 HA ALA 41 3.496 1.031 2.036 376 1HB ALA 41 1HB ALA 41 2.295 -0.826 2.368 377 2HB ALA 41 2HB ALA 41 2.399 -0.402 4.073 378 3HB ALA 41 3HB ALA 41 3.541 -1.549 3.386 379 H LYS 42 H LYS 42 5.073 -0.024 4.977 380 HA LYS 42 HA LYS 42 3.797 1.622 6.764 381 1HB LYS 42 2HB LYS 42 6.659 0.678 6.912 382 2HB LYS 42 1HB LYS 42 5.597 1.071 8.266 383 1HG LYS 42 2HG LYS 42 4.052 -0.754 7.415 384 2HG LYS 42 1HG LYS 42 5.365 -1.269 6.339 385 1HD LYS 42 2HD LYS 42 6.697 -1.938 8.141 386 2HD LYS 42 1HD LYS 42 5.805 -0.952 9.303 387 1HE LYS 42 2HE LYS 42 4.165 -2.962 7.938 388 2HE LYS 42 1HE LYS 42 5.465 -3.649 8.912 389 1HZ LYS 42 1HZ LYS 42 3.626 -3.446 10.335 390 2HZ LYS 42 2HZ LYS 42 3.260 -1.883 9.805 391 3HZ LYS 42 3HZ LYS 42 4.634 -2.154 10.752 392 H HIS 43 H HIS 43 6.842 2.217 5.032 393 HA HIS 43 HA HIS 43 7.166 4.909 5.890 394 1HB HIS 43 2HB HIS 43 8.189 3.213 3.682 395 2HB HIS 43 1HB HIS 43 8.271 4.940 3.452 396 HD1 HIS 43 1HD HIS 43 9.798 6.288 5.136 397 HD2 HIS 43 2HD HIS 43 10.073 2.152 5.425 398 HE1 HIS 43 1HE HIS 43 11.872 5.845 6.485 399 HE2 HIS 43 2HE HIS 43 12.073 3.336 6.560 400 H GLU 44 H GLU 44 5.716 3.307 3.163 401 HA GLU 44 HA GLU 44 4.901 5.283 1.517 402 1HB GLU 44 2HB GLU 44 4.045 2.622 2.144 403 2HB GLU 44 1HB GLU 44 2.751 3.625 1.532 404 1HG GLU 44 2HG GLU 44 3.507 3.406 -0.512 405 2HG GLU 44 1HG GLU 44 5.085 4.016 -0.051 406 H GLY 45 H GLY 45 3.897 4.802 4.713 407 1HA GLY 45 2HA GLY 45 2.741 6.554 5.868 408 2HA GLY 45 1HA GLY 45 1.928 6.952 4.351 409 H VAL 46 H VAL 46 2.441 3.655 5.263 410 HA VAL 46 HA VAL 46 -0.284 3.342 6.248 411 HB VAL 46 HB VAL 46 -0.506 1.517 4.345 412 1HG1 VAL 46 1HG1 VAL 46 -2.241 2.827 3.860 413 2HG1 VAL 46 2HG1 VAL 46 -1.177 4.039 3.145 414 3HG1 VAL 46 3HG1 VAL 46 -1.526 4.082 4.871 415 1HG2 VAL 46 1HG2 VAL 46 0.341 2.900 2.229 416 2HG2 VAL 46 2HG2 VAL 46 1.359 1.694 3.014 417 3HG2 VAL 46 3HG2 VAL 46 1.586 3.404 3.364 418 H ASP 47 H ASP 47 -0.851 0.994 6.620 419 HA ASP 47 HA ASP 47 1.304 -0.253 8.071 420 1HB ASP 47 2HB ASP 47 -1.432 -1.414 7.644 421 2HB ASP 47 1HB ASP 47 -0.337 -1.675 8.998 422 H LYS 48 H LYS 48 1.126 -2.825 7.960 423 HA LYS 48 HA LYS 48 2.351 -3.609 5.537 424 1HB LYS 48 2HB LYS 48 2.509 -5.805 6.536 425 2HB LYS 48 1HB LYS 48 2.902 -4.585 7.738 426 1HG LYS 48 2HG LYS 48 0.088 -5.499 7.612 427 2HG LYS 48 1HG LYS 48 1.286 -6.634 8.238 428 1HD LYS 48 2HD LYS 48 2.035 -4.505 9.627 429 2HD LYS 48 1HD LYS 48 0.357 -4.039 9.352 430 1HE LYS 48 2HE LYS 48 -0.461 -5.960 10.453 431 2HE LYS 48 1HE LYS 48 1.122 -6.737 10.432 432 1HZ LYS 48 1HZ LYS 48 1.920 -5.035 11.967 433 2HZ LYS 48 2HZ LYS 48 0.611 -5.885 12.622 434 3HZ LYS 48 3HZ LYS 48 0.382 -4.326 12.005 435 H GLU 49 H GLU 49 -0.935 -3.757 6.670 436 HA GLU 49 HA GLU 49 -1.791 -5.784 4.840 437 1HB GLU 49 2HB GLU 49 -2.977 -4.108 6.889 438 2HB GLU 49 1HB GLU 49 -4.020 -4.232 5.480 439 1HG GLU 49 2HG GLU 49 -2.936 -6.485 7.149 440 2HG GLU 49 1HG GLU 49 -4.611 -5.950 7.030 441 H LEU 50 H LEU 50 -1.834 -2.290 4.865 442 HA LEU 50 HA LEU 50 -3.151 -1.882 2.432 443 1HB LEU 50 2HB LEU 50 -1.428 0.229 3.479 444 2HB LEU 50 1HB LEU 50 -3.112 0.296 3.039 445 HG LEU 50 HG LEU 50 -1.898 -0.514 5.670 446 1HD1 LEU 50 1HD1 LEU 50 -3.683 1.186 6.408 447 2HD1 LEU 50 2HD1 LEU 50 -3.707 1.666 4.711 448 3HD1 LEU 50 3HD1 LEU 50 -2.213 1.779 5.637 449 1HD2 LEU 50 1HD2 LEU 50 -3.679 -1.696 6.324 450 2HD2 LEU 50 2HD2 LEU 50 -4.042 -1.870 4.612 451 3HD2 LEU 50 3HD2 LEU 50 -4.814 -0.598 5.550 452 H VAL 51 H VAL 51 -0.397 -3.459 2.379 453 HA VAL 51 HA VAL 51 1.019 -1.549 0.656 454 HB VAL 51 HB VAL 51 2.190 -4.220 1.035 455 1HG1 VAL 51 1HG1 VAL 51 4.015 -2.383 1.830 456 2HG1 VAL 51 2HG1 VAL 51 3.029 -1.440 0.720 457 3HG1 VAL 51 3HG1 VAL 51 3.792 -2.934 0.174 458 1HG2 VAL 51 1HG2 VAL 51 1.400 -2.537 3.353 459 2HG2 VAL 51 2HG2 VAL 51 3.004 -3.271 3.381 460 3HG2 VAL 51 3HG2 VAL 51 1.579 -4.281 3.216 461 H ILE 52 H ILE 52 0.581 -1.539 -1.421 462 HA ILE 52 HA ILE 52 0.649 -4.066 -2.883 463 HB ILE 52 HB ILE 52 -0.987 -2.924 -4.567 464 1HG1 ILE 52 2HG1 ILE 52 -1.605 -1.502 -1.981 465 2HG1 ILE 52 1HG1 ILE 52 -1.328 -0.815 -3.573 466 1HG2 ILE 52 1HG2 ILE 52 -1.295 -4.775 -2.422 467 2HG2 ILE 52 2HG2 ILE 52 -2.114 -4.733 -3.981 468 3HG2 ILE 52 3HG2 ILE 52 -2.790 -3.859 -2.609 469 1HD1 ILE 52 1HD1 ILE 52 -3.437 -1.692 -4.362 470 2HD1 ILE 52 2HD1 ILE 52 -3.674 -0.697 -2.924 471 3HD1 ILE 52 3HD1 ILE 52 -3.720 -2.456 -2.796 472 H VAL 53 H VAL 53 2.644 -3.801 -3.926 473 HA VAL 53 HA VAL 53 2.846 -1.344 -5.518 474 HB VAL 53 HB VAL 53 4.934 -0.704 -4.834 475 1HG1 VAL 53 1HG1 VAL 53 5.100 -0.965 -2.318 476 2HG1 VAL 53 2HG1 VAL 53 3.637 -1.943 -2.422 477 3HG1 VAL 53 3HG1 VAL 53 3.609 -0.258 -2.942 478 1HG2 VAL 53 1HG2 VAL 53 5.430 -3.485 -3.804 479 2HG2 VAL 53 2HG2 VAL 53 6.545 -2.129 -3.629 480 3HG2 VAL 53 3HG2 VAL 53 6.137 -2.733 -5.235 481 H ASP 54 H ASP 54 2.941 -1.857 -7.550 482 HA ASP 54 HA ASP 54 4.372 -4.298 -8.365 483 1HB ASP 54 2HB ASP 54 1.912 -2.980 -9.486 484 2HB ASP 54 1HB ASP 54 2.860 -4.124 -10.434 485 H ASN 55 H ASN 55 5.462 -4.287 -10.402 486 HA ASN 55 HA ASN 55 6.778 -3.479 -12.052 487 1HB ASN 55 2HB ASN 55 4.854 -2.178 -12.771 488 2HB ASN 55 1HB ASN 55 5.258 -0.900 -11.632 489 1HD2 ASN 55 1HD2 ASN 55 5.739 -2.157 -14.735 490 2HD2 ASN 55 2HD2 ASN 55 6.956 -1.048 -15.259 491 H ASN 56 H ASN 56 6.747 -0.248 -10.693 492 HA ASN 56 HA ASN 56 8.257 0.845 -9.323 493 1HB ASN 56 2HB ASN 56 10.113 -1.529 -9.477 494 2HB ASN 56 1HB ASN 56 10.128 -0.211 -8.310 495 1HD2 ASN 56 1HD2 ASN 56 10.072 -2.979 -7.696 496 2HD2 ASN 56 2HD2 ASN 56 8.597 -3.298 -6.856 497 H LYS 57 H LYS 57 8.977 2.457 -10.564 498 HA LYS 57 HA LYS 57 10.380 2.009 -13.026 499 1HB LYS 57 2HB LYS 57 10.220 4.329 -13.377 500 2HB LYS 57 1HB LYS 57 8.765 3.940 -12.472 501 1HG LYS 57 2HG LYS 57 10.450 4.570 -10.451 502 2HG LYS 57 1HG LYS 57 11.072 5.608 -11.732 503 1HD LYS 57 2HD LYS 57 8.840 6.551 -12.056 504 2HD LYS 57 1HD LYS 57 8.202 5.492 -10.795 505 1HE LYS 57 2HE LYS 57 8.840 6.917 -9.190 506 2HE LYS 57 1HE LYS 57 10.485 6.960 -9.826 507 1HZ LYS 57 1HZ LYS 57 9.664 8.597 -11.493 508 2HZ LYS 57 2HZ LYS 57 9.629 9.152 -9.897 509 3HZ LYS 57 3HZ LYS 57 8.197 8.655 -10.651 510 H GLN 58 H GLN 58 12.471 1.474 -13.079 511 HA GLN 58 HA GLN 58 14.179 2.133 -10.829 512 1HB GLN 58 2HB GLN 58 14.034 -0.079 -12.340 513 2HB GLN 58 1HB GLN 58 15.299 0.771 -13.217 514 1HG GLN 58 2HG GLN 58 16.663 0.890 -11.248 515 2HG GLN 58 1HG GLN 58 15.366 0.215 -10.260 516 1HE2 GLN 58 1HE2 GLN 58 14.480 -1.880 -11.644 517 2HE2 GLN 58 2HE2 GLN 58 15.731 -3.047 -11.889 518 H LEU 59 H LEU 59 15.736 3.614 -10.791 519 HA LEU 59 HA LEU 59 16.406 5.029 -13.278 520 1HB LEU 59 2HB LEU 59 17.052 6.751 -11.163 521 2HB LEU 59 1HB LEU 59 15.777 6.953 -12.343 522 HG LEU 59 HG LEU 59 14.944 7.275 -10.084 523 1HD1 LEU 59 1HD1 LEU 59 12.973 6.182 -10.393 524 2HD1 LEU 59 2HD1 LEU 59 13.755 4.667 -10.840 525 3HD1 LEU 59 3HD1 LEU 59 13.673 5.990 -12.001 526 1HD2 LEU 59 1HD2 LEU 59 15.488 5.996 -8.353 527 2HD2 LEU 59 2HD2 LEU 59 16.653 5.200 -9.411 528 3HD2 LEU 59 3HD2 LEU 59 15.039 4.521 -9.207 529 H THR 60 H THR 60 18.353 4.448 -13.848 530 HA THR 60 HA THR 60 20.143 3.094 -12.210 531 HB THR 60 HB THR 60 21.799 3.653 -14.079 532 HG1 THR 60 1HG THR 60 20.491 5.536 -14.742 533 1HG2 THR 60 1HG2 THR 60 20.967 1.587 -14.360 534 2HG2 THR 60 2HG2 THR 60 20.183 2.373 -15.734 535 3HG2 THR 60 3HG2 THR 60 19.292 2.123 -14.230 536 H GLY 61 H GLY 61 22.480 3.745 -12.044 537 1HA GLY 61 2HA GLY 61 24.027 5.559 -11.659 538 2HA GLY 61 1HA GLY 61 22.670 6.507 -11.060 539 H LYS 62 H LYS 62 21.710 3.932 -9.732 540 HA LYS 62 HA LYS 62 23.638 3.758 -7.530 541 1HB LYS 62 2HB LYS 62 20.660 4.080 -7.113 542 2HB LYS 62 1HB LYS 62 21.901 4.009 -5.871 543 1HG LYS 62 2HG LYS 62 21.978 6.165 -7.933 544 2HG LYS 62 1HG LYS 62 20.887 6.292 -6.552 545 1HD LYS 62 2HD LYS 62 23.833 5.741 -6.262 546 2HD LYS 62 1HD LYS 62 23.163 7.374 -6.286 547 1HE LYS 62 2HE LYS 62 22.327 5.213 -4.356 548 2HE LYS 62 1HE LYS 62 23.523 6.458 -3.999 549 1HZ LYS 62 1HZ LYS 62 20.621 6.683 -4.244 550 2HZ LYS 62 2HZ LYS 62 21.545 7.995 -4.778 551 3HZ LYS 62 3HZ LYS 62 21.682 7.463 -3.180 552 H HIS 63 H HIS 63 21.960 2.093 -5.911 553 HA HIS 63 HA HIS 63 21.564 -0.249 -7.649 554 1HB HIS 63 2HB HIS 63 22.631 -0.590 -4.870 555 2HB HIS 63 1HB HIS 63 22.773 -1.665 -6.257 556 HD1 HIS 63 1HD HIS 63 24.270 1.460 -4.791 557 HD2 HIS 63 2HD HIS 63 25.003 -1.258 -7.848 558 HE1 HIS 63 1HE HIS 63 26.575 2.004 -5.634 559 HE2 HIS 63 2HE HIS 63 26.963 0.402 -7.541 560 H GLU 64 H GLU 64 19.607 1.625 -6.624 561 HA GLU 64 HA GLU 64 18.046 -0.191 -4.963 562 1HB GLU 64 2HB GLU 64 18.166 2.816 -4.764 563 2HB GLU 64 1HB GLU 64 17.183 1.744 -3.765 564 1HG GLU 64 2HG GLU 64 18.959 1.958 -2.386 565 2HG GLU 64 1HG GLU 64 19.531 0.593 -3.337 566 H ILE 65 H ILE 65 15.703 0.046 -5.266 567 HA ILE 65 HA ILE 65 15.166 0.862 -8.044 568 HB ILE 65 HB ILE 65 14.908 -1.594 -7.198 569 1HG1 ILE 65 2HG1 ILE 65 12.971 -0.056 -8.908 570 2HG1 ILE 65 1HG1 ILE 65 14.266 -1.138 -9.407 571 1HG2 ILE 65 1HG2 ILE 65 13.492 -0.810 -5.249 572 2HG2 ILE 65 2HG2 ILE 65 12.894 -2.193 -6.166 573 3HG2 ILE 65 3HG2 ILE 65 12.192 -0.596 -6.422 574 1HD1 ILE 65 1HD1 ILE 65 12.188 -2.220 -9.819 575 2HD1 ILE 65 2HD1 ILE 65 11.634 -1.894 -8.178 576 3HD1 ILE 65 3HD1 ILE 65 12.956 -3.027 -8.453 577 H GLU 66 H GLU 66 13.679 2.241 -8.506 578 HA GLU 66 HA GLU 66 12.038 3.405 -6.362 579 1HB GLU 66 2HB GLU 66 13.970 4.700 -7.572 580 2HB GLU 66 1HB GLU 66 12.798 4.858 -8.870 581 1HG GLU 66 2HG GLU 66 11.244 5.780 -7.036 582 2HG GLU 66 1HG GLU 66 12.729 5.996 -6.116 583 H GLY 67 H GLY 67 10.051 4.484 -7.158 584 1HA GLY 67 2HA GLY 67 8.844 4.120 -9.587 585 2HA GLY 67 1HA GLY 67 8.534 2.634 -8.705 586 H TYR 68 H TYR 68 6.328 3.043 -8.687 587 HA TYR 68 HA TYR 68 5.582 5.121 -6.748 588 1HB TYR 68 2HB TYR 68 4.704 4.853 -9.443 589 2HB TYR 68 1HB TYR 68 3.347 4.420 -8.406 590 HD1 TYR 68 1HD TYR 68 1.883 6.158 -8.066 591 HD2 TYR 68 2HD TYR 68 6.040 7.025 -8.329 592 HE1 TYR 68 1HE TYR 68 1.403 8.541 -7.699 593 HE2 TYR 68 2HE TYR 68 5.572 9.410 -7.961 594 HH TYR 68 HH TYR 68 3.321 10.668 -6.676 595 H THR 69 H THR 69 4.456 4.449 -5.089 596 HA THR 69 HA THR 69 3.762 1.611 -4.987 597 HB THR 69 HB THR 69 3.644 2.564 -2.388 598 HG1 THR 69 1HG THR 69 5.770 3.881 -3.710 599 1HG2 THR 69 1HG2 THR 69 5.007 0.857 -2.228 600 2HG2 THR 69 2HG2 THR 69 6.300 1.919 -2.741 601 3HG2 THR 69 3HG2 THR 69 5.440 0.952 -3.933 602 H LYS 70 H LYS 70 1.748 0.923 -4.370 603 HA LYS 70 HA LYS 70 -0.358 2.987 -4.119 604 1HB LYS 70 2HB LYS 70 -0.129 1.168 -6.170 605 2HB LYS 70 1HB LYS 70 -1.183 0.317 -5.052 606 1HG LYS 70 2HG LYS 70 -2.615 2.396 -5.015 607 2HG LYS 70 1HG LYS 70 -1.645 2.973 -6.370 608 1HD LYS 70 2HD LYS 70 -3.411 1.964 -7.461 609 2HD LYS 70 1HD LYS 70 -2.231 0.653 -7.410 610 1HE LYS 70 2HE LYS 70 -3.452 0.157 -5.108 611 2HE LYS 70 1HE LYS 70 -4.779 0.982 -5.921 612 1HZ LYS 70 1HZ LYS 70 -4.006 -0.699 -7.829 613 2HZ LYS 70 2HZ LYS 70 -5.190 -1.080 -6.680 614 3HZ LYS 70 3HZ LYS 70 -3.600 -1.614 -6.463 615 H ILE 71 H ILE 71 -1.841 2.662 -2.392 616 HA ILE 71 HA ILE 71 -1.346 0.186 -0.870 617 HB ILE 71 HB ILE 71 -0.848 2.920 0.096 618 1HG1 ILE 71 2HG1 ILE 71 0.495 0.886 1.531 619 2HG1 ILE 71 1HG1 ILE 71 0.482 0.402 -0.157 620 1HG2 ILE 71 1HG2 ILE 71 -2.226 2.800 1.823 621 2HG2 ILE 71 2HG2 ILE 71 -1.123 1.578 2.444 622 3HG2 ILE 71 3HG2 ILE 71 -2.550 1.093 1.557 623 1HD1 ILE 71 1HD1 ILE 71 1.285 3.175 0.534 624 2HD1 ILE 71 2HD1 ILE 71 1.797 2.147 -0.807 625 3HD1 ILE 71 3HD1 ILE 71 2.407 1.847 0.815 626 H TYR 72 H TYR 72 -2.873 -0.685 0.393 627 HA TYR 72 HA TYR 72 -5.537 0.573 0.131 628 1HB TYR 72 2HB TYR 72 -6.520 -1.719 0.392 629 2HB TYR 72 1HB TYR 72 -5.675 -1.414 -1.117 630 HD1 TYR 72 1HD TYR 72 -6.260 -3.809 1.261 631 HD2 TYR 72 2HD TYR 72 -3.025 -2.096 -0.897 632 HE1 TYR 72 1HE TYR 72 -4.975 -5.884 1.556 633 HE2 TYR 72 2HE TYR 72 -1.729 -4.164 -0.605 634 HH TYR 72 HH TYR 72 -2.428 -6.731 -0.198 635 H ALA 73 H ALA 73 -6.195 1.464 1.808 636 HA ALA 73 HA ALA 73 -5.344 0.740 4.475 637 1HB ALA 73 1HB ALA 73 -6.858 2.838 4.949 638 2HB ALA 73 2HB ALA 73 -6.631 3.097 3.220 639 3HB ALA 73 3HB ALA 73 -5.230 3.004 4.289 640 H ASP 74 H ASP 74 -7.838 -0.218 2.517 641 HA ASP 74 HA ASP 74 -10.035 -0.093 4.312 642 1HB ASP 74 2HB ASP 74 -11.178 -1.537 2.705 643 2HB ASP 74 1HB ASP 74 -10.332 -0.227 1.887 644 H LYS 75 H LYS 75 -7.316 -1.957 4.594 645 HA LYS 75 HA LYS 75 -7.993 -4.537 5.070 646 1HB LYS 75 2HB LYS 75 -5.826 -4.376 5.623 647 2HB LYS 75 1HB LYS 75 -5.983 -2.702 6.122 648 1HG LYS 75 2HG LYS 75 -7.026 -3.678 8.279 649 2HG LYS 75 1HG LYS 75 -6.305 -5.197 7.751 650 1HD LYS 75 2HD LYS 75 -4.260 -4.537 8.366 651 2HD LYS 75 1HD LYS 75 -4.450 -2.965 7.591 652 1HE LYS 75 2HE LYS 75 -5.813 -2.248 9.556 653 2HE LYS 75 1HE LYS 75 -5.400 -3.775 10.334 654 1HZ LYS 75 1HZ LYS 75 -3.992 -1.714 10.849 655 2HZ LYS 75 2HZ LYS 75 -3.285 -1.979 9.336 656 3HZ LYS 75 3HZ LYS 75 -3.190 -3.170 10.533 657 HA PRO 76 HA PRO 76 -9.474 -3.187 9.676 658 1HB PRO 76 2HB PRO 76 -10.852 -0.775 8.552 659 2HB PRO 76 1HB PRO 76 -10.215 -1.045 10.180 660 1HG PRO 76 2HG PRO 76 -8.858 0.426 8.430 661 2HG PRO 76 1HG PRO 76 -8.017 -0.690 9.521 662 1HD PRO 76 2HD PRO 76 -8.548 -0.932 6.609 663 2HD PRO 76 1HD PRO 76 -7.196 -1.568 7.564 664 H SER 77 H SER 77 -11.166 -2.532 6.639 665 HA SER 77 HA SER 77 -13.697 -3.483 7.603 666 1HB SER 77 2HB SER 77 -12.617 -2.463 5.031 667 2HB SER 77 1HB SER 77 -14.001 -3.552 4.922 668 HG SER 77 HG SER 77 -13.834 -1.125 6.381 669 H ALA 78 H ALA 78 -11.013 -4.779 5.735 670 HA ALA 78 HA ALA 78 -12.276 -7.256 5.090 671 1HB ALA 78 1HB ALA 78 -10.310 -6.166 3.893 672 2HB ALA 78 2HB ALA 78 -10.216 -7.906 4.164 673 3HB ALA 78 3HB ALA 78 -9.307 -6.803 5.198 674 H MET 79 H MET 79 -9.778 -6.345 7.467 675 HA MET 79 HA MET 79 -9.367 -8.787 8.671 676 1HB MET 79 2HB MET 79 -8.321 -6.414 9.102 677 2HB MET 79 1HB MET 79 -9.532 -6.331 10.374 678 1HG MET 79 2HG MET 79 -7.931 -8.798 10.301 679 2HG MET 79 1HG MET 79 -7.056 -7.322 10.708 680 1HE MET 79 1HE MET 79 -6.468 -7.158 12.956 681 2HE MET 79 2HE MET 79 -6.655 -8.900 13.170 682 3HE MET 79 3HE MET 79 -7.339 -7.788 14.355 683 H LEU 80 H LEU 80 -12.018 -6.531 9.133 684 HA LEU 80 HA LEU 80 -13.143 -7.597 11.455 685 1HB LEU 80 2HB LEU 80 -13.777 -5.474 10.168 686 2HB LEU 80 1HB LEU 80 -14.763 -6.517 9.161 687 HG LEU 80 HG LEU 80 -16.027 -5.359 10.968 688 1HD1 LEU 80 1HD1 LEU 80 -16.367 -7.844 9.989 689 2HD1 LEU 80 2HD1 LEU 80 -17.474 -7.074 11.126 690 3HD1 LEU 80 3HD1 LEU 80 -16.248 -8.198 11.712 691 1HD2 LEU 80 1HD2 LEU 80 -14.832 -7.244 12.943 692 2HD2 LEU 80 2HD2 LEU 80 -15.648 -5.701 13.205 693 3HD2 LEU 80 3HD2 LEU 80 -13.997 -5.732 12.583 694 H TYR 81 H TYR 81 -13.228 -8.702 8.152 695 HA TYR 81 HA TYR 81 -15.350 -10.596 8.559 696 1HB TYR 81 2HB TYR 81 -13.588 -9.778 6.335 697 2HB TYR 81 1HB TYR 81 -14.093 -11.464 6.304 698 HD1 TYR 81 1HD TYR 81 -15.815 -8.267 7.213 699 HD2 TYR 81 2HD TYR 81 -15.812 -11.773 4.803 700 HE1 TYR 81 1HE TYR 81 -17.971 -7.594 6.240 701 HE2 TYR 81 2HE TYR 81 -17.966 -11.110 3.821 702 HH TYR 81 HH TYR 81 -19.913 -8.691 5.126 703 H GLU 82 H GLU 82 -11.876 -10.582 8.816 704 HA GLU 82 HA GLU 82 -10.392 -12.102 9.619 705 1HB GLU 82 2HB GLU 82 -12.841 -13.617 10.542 706 2HB GLU 82 1HB GLU 82 -11.192 -13.861 11.108 707 1HG GLU 82 2HG GLU 82 -11.710 -11.147 11.498 708 2HG GLU 82 1HG GLU 82 -13.179 -11.984 11.998 709 HA PRO 83 HA PRO 83 -10.180 -14.606 5.883 710 1HB PRO 83 2HB PRO 83 -7.822 -15.654 7.378 711 2HB PRO 83 1HB PRO 83 -7.938 -15.109 5.702 712 1HG PRO 83 2HG PRO 83 -6.798 -13.569 7.548 713 2HG PRO 83 1HG PRO 83 -7.825 -12.866 6.286 714 1HD PRO 83 2HD PRO 83 -8.421 -13.348 9.169 715 2HD PRO 83 1HD PRO 83 -8.951 -12.025 8.111 716 H ASP 84 H ASP 84 -10.032 -15.766 9.187 717 HA ASP 84 HA ASP 84 -10.766 -18.467 8.319 718 1HB ASP 84 2HB ASP 84 -10.303 -19.115 10.667 719 2HB ASP 84 1HB ASP 84 -8.913 -18.368 9.882 720 H TYR 85 H TYR 85 -12.459 -15.855 8.658 721 HA TYR 85 HA TYR 85 -14.521 -15.237 9.408 722 1HB TYR 85 2HB TYR 85 -16.271 -16.857 8.991 723 2HB TYR 85 1HB TYR 85 -15.051 -16.988 7.731 724 HD1 TYR 85 1HD TYR 85 -13.785 -18.995 7.442 725 HD2 TYR 85 2HD TYR 85 -16.443 -18.601 10.740 726 HE1 TYR 85 1HE TYR 85 -13.576 -21.404 7.890 727 HE2 TYR 85 2HE TYR 85 -16.240 -21.007 11.199 728 HH TYR 85 HH TYR 85 -13.913 -22.882 10.195 729 H GLU 86 H GLU 86 -16.490 -16.306 10.887 730 HA GLU 86 HA GLU 86 -17.179 -16.575 13.038 731 1HB GLU 86 2HB GLU 86 -15.259 -18.642 12.502 732 2HB GLU 86 1HB GLU 86 -15.126 -18.152 14.185 733 1HG GLU 86 2HG GLU 86 -17.817 -18.347 13.898 734 2HG GLU 86 1HG GLU 86 -17.253 -19.610 12.807 735 H LEU 87 H LEU 87 -16.695 -14.302 13.391 736 HA LEU 87 HA LEU 87 -14.220 -13.635 14.733 737 1HB LEU 87 2HB LEU 87 -15.392 -12.101 13.132 738 2HB LEU 87 1HB LEU 87 -16.667 -11.920 14.320 739 HG LEU 87 HG LEU 87 -14.179 -11.349 15.598 740 1HD1 LEU 87 1HD1 LEU 87 -12.990 -10.616 13.827 741 2HD1 LEU 87 2HD1 LEU 87 -13.963 -9.164 14.055 742 3HD1 LEU 87 3HD1 LEU 87 -14.422 -10.351 12.834 743 1HD2 LEU 87 1HD2 LEU 87 -16.752 -9.996 15.012 744 2HD2 LEU 87 2HD2 LEU 87 -15.390 -8.984 15.497 745 3HD2 LEU 87 3HD2 LEU 87 -15.945 -10.284 16.554 746 H ILE 88 H ILE 88 -17.492 -14.435 15.550 747 HA ILE 88 HA ILE 88 -18.382 -15.075 17.558 748 HB ILE 88 HB ILE 88 -15.796 -14.100 18.775 749 1HG1 ILE 88 2HG1 ILE 88 -16.571 -16.943 18.900 750 2HG1 ILE 88 1HG1 ILE 88 -16.204 -16.344 17.285 751 1HG2 ILE 88 1HG2 ILE 88 -18.326 -15.042 19.978 752 2HG2 ILE 88 2HG2 ILE 88 -17.119 -13.918 20.602 753 3HG2 ILE 88 3HG2 ILE 88 -16.826 -15.655 20.680 754 1HD1 ILE 88 1HD1 ILE 88 -14.275 -17.358 18.464 755 2HD1 ILE 88 2HD1 ILE 88 -14.368 -16.055 19.648 756 3HD1 ILE 88 3HD1 ILE 88 -14.009 -15.690 17.961 757 H ARG 89 H ARG 89 -16.880 -11.914 17.246 758 HA ARG 89 HA ARG 89 -18.915 -10.800 19.036 759 1HB ARG 89 2HB ARG 89 -16.150 -10.179 18.521 760 2HB ARG 89 1HB ARG 89 -17.143 -8.760 18.215 761 1HG ARG 89 2HG ARG 89 -17.948 -10.042 20.660 762 2HG ARG 89 1HG ARG 89 -16.217 -9.695 20.676 763 1HD ARG 89 2HD ARG 89 -16.532 -7.455 20.693 764 2HD ARG 89 1HD ARG 89 -17.961 -7.542 19.663 765 HE ARG 89 HE ARG 89 -17.935 -7.357 22.474 766 1HH1 ARG 89 1HH1 ARG 89 -19.603 -9.002 19.889 767 2HH1 ARG 89 2HH1 ARG 89 -21.076 -9.175 20.782 768 1HH2 ARG 89 1HH2 ARG 89 -19.872 -7.582 23.651 769 2HH2 ARG 89 2HH2 ARG 89 -21.229 -8.369 22.917 770 H ASN 90 H ASN 90 -19.070 -8.225 18.136 771 HA ASN 90 HA ASN 90 -20.440 -8.576 15.563 772 1HB ASN 90 2HB ASN 90 -20.932 -6.910 17.961 773 2HB ASN 90 1HB ASN 90 -21.284 -6.152 16.412 774 1HD2 ASN 90 1HD2 ASN 90 -21.668 -9.422 17.741 775 2HD2 ASN 90 2HD2 ASN 90 -23.342 -9.571 17.340 776 H GLY 91 H GLY 91 -18.365 -6.264 17.300 777 1HA GLY 91 2HA GLY 91 -16.389 -5.405 16.172 778 2HA GLY 91 1HA GLY 91 -17.313 -5.411 14.678 779 H LEU 92 H LEU 92 -18.077 -3.520 14.028 780 HA LEU 92 HA LEU 92 -18.098 -1.293 15.923 781 1HB LEU 92 2HB LEU 92 -16.967 -1.310 13.572 782 2HB LEU 92 1HB LEU 92 -18.592 -1.023 12.983 783 HG LEU 92 HG LEU 92 -18.730 1.063 14.177 784 1HD1 LEU 92 1HD1 LEU 92 -17.614 0.627 16.208 785 2HD1 LEU 92 2HD1 LEU 92 -16.678 1.887 15.403 786 3HD1 LEU 92 3HD1 LEU 92 -16.110 0.218 15.382 787 1HD2 LEU 92 1HD2 LEU 92 -16.460 2.090 13.244 788 2HD2 LEU 92 2HD2 LEU 92 -17.788 1.613 12.186 789 3HD2 LEU 92 3HD2 LEU 92 -16.410 0.536 12.414 790 H LYS 93 H LYS 93 -19.875 0.355 15.594 791 HA LYS 93 HA LYS 93 -22.327 -0.647 16.302 792 1HB LYS 93 2HB LYS 93 -21.241 1.893 15.748 793 2HB LYS 93 1HB LYS 93 -22.708 1.775 14.786 794 1HG LYS 93 2HG LYS 93 -23.632 2.573 16.682 795 2HG LYS 93 1HG LYS 93 -23.662 0.861 17.103 796 1HD LYS 93 2HD LYS 93 -22.595 1.539 18.965 797 2HD LYS 93 1HD LYS 93 -21.171 1.556 17.925 798 1HE LYS 93 2HE LYS 93 -22.975 3.930 18.375 799 2HE LYS 93 1HE LYS 93 -21.486 3.633 19.274 800 1HZ LYS 93 1HZ LYS 93 -21.345 5.170 17.285 801 2HZ LYS 93 2HZ LYS 93 -21.520 3.792 16.320 802 3HZ LYS 93 3HZ LYS 93 -20.195 3.929 17.364 803 H GLN 94 H GLN 94 -21.085 -0.055 13.067 804 HA GLN 94 HA GLN 94 -21.839 -0.622 10.999 805 1HB GLN 94 2HB GLN 94 -22.724 -2.756 12.787 806 2HB GLN 94 1HB GLN 94 -23.729 -2.611 11.351 807 1HG GLN 94 2HG GLN 94 -22.218 -3.764 10.229 808 2HG GLN 94 1HG GLN 94 -21.082 -2.437 10.455 809 1HE2 GLN 94 1HE2 GLN 94 -19.217 -3.440 10.851 810 2HE2 GLN 94 2HE2 GLN 94 -18.954 -4.593 12.109 811 H LYS 95 H LYS 95 -23.389 1.305 12.764 812 HA LYS 95 HA LYS 95 -25.298 2.543 12.696 813 1HB LYS 95 2HB LYS 95 -24.321 2.702 10.309 814 2HB LYS 95 1HB LYS 95 -25.638 1.630 9.853 815 1HG LYS 95 2HG LYS 95 -27.000 3.510 11.222 816 2HG LYS 95 1HG LYS 95 -25.676 4.479 10.572 817 1HD LYS 95 2HD LYS 95 -27.439 4.563 8.980 818 2HD LYS 95 1HD LYS 95 -26.204 3.492 8.318 819 1HE LYS 95 2HE LYS 95 -27.468 1.577 8.744 820 2HE LYS 95 1HE LYS 95 -28.502 2.406 9.907 821 1HZ LYS 95 1HZ LYS 95 -28.641 2.371 6.992 822 2HZ LYS 95 2HZ LYS 95 -29.077 3.810 7.766 823 3HZ LYS 95 3HZ LYS 95 -29.889 2.373 8.135 824 H GLU 96 H GLU 96 -25.733 0.078 13.809 825 HA GLU 96 HA GLU 96 -28.505 -0.170 13.720 826 1HB GLU 96 2HB GLU 96 -28.647 -2.465 12.663 827 2HB GLU 96 1HB GLU 96 -28.389 -1.126 11.556 828 1HG GLU 96 2HG GLU 96 -26.658 -2.216 10.728 829 2HG GLU 96 1HG GLU 96 -25.837 -2.001 12.272 830 H ALA 97 H ALA 97 -25.455 -1.869 14.221 831 HA ALA 97 HA ALA 97 -26.531 -3.568 16.282 832 1HB ALA 97 1HB ALA 97 -23.609 -3.223 16.099 833 2HB ALA 97 2HB ALA 97 -24.410 -3.819 14.645 834 3HB ALA 97 3HB ALA 97 -24.579 -4.695 16.167 835 H LYS 98 H LYS 98 -26.950 -2.892 18.272 836 HA LYS 98 HA LYS 98 -26.841 -1.785 20.256 837 1HB LYS 98 2HB LYS 98 -23.993 -1.790 19.355 838 2HB LYS 98 1HB LYS 98 -24.434 -0.804 20.743 839 1HG LYS 98 2HG LYS 98 -24.435 -2.578 22.068 840 2HG LYS 98 1HG LYS 98 -25.570 -3.420 21.013 841 1HD LYS 98 2HD LYS 98 -23.271 -3.637 19.585 842 2HD LYS 98 1HD LYS 98 -22.649 -3.668 21.237 843 1HE LYS 98 2HE LYS 98 -23.875 -5.584 21.785 844 2HE LYS 98 1HE LYS 98 -24.960 -5.390 20.410 845 1HZ LYS 98 1HZ LYS 98 -22.265 -6.521 20.507 846 2HZ LYS 98 2HZ LYS 98 -22.717 -5.695 19.101 847 3HZ LYS 98 3HZ LYS 98 -23.618 -7.028 19.625 Start of MODEL 3 1 1H MET 1 H MET 1 17.435 -3.568 3.755 2 HA MET 1 HA MET 1 17.431 -2.595 0.992 3 1HB MET 1 2HB MET 1 15.170 -3.953 2.462 4 2HB MET 1 1HB MET 1 14.828 -2.799 1.181 5 1HG MET 1 2HG MET 1 14.801 -4.783 0.044 6 2HG MET 1 1HG MET 1 16.465 -4.257 -0.207 7 1HE MET 1 1HE MET 1 14.605 -7.339 0.158 8 2HE MET 1 2HE MET 1 14.040 -6.595 1.653 9 3HE MET 1 3HE MET 1 15.020 -8.060 1.714 10 H ASP 2 H ASP 2 16.410 -0.397 0.760 11 HA ASP 2 HA ASP 2 15.768 0.858 3.363 12 1HB ASP 2 2HB ASP 2 17.520 2.253 1.351 13 2HB ASP 2 1HB ASP 2 17.186 2.726 3.010 14 H LEU 3 H LEU 3 13.714 1.497 3.102 15 HA LEU 3 HA LEU 3 12.911 2.311 0.438 16 1HB LEU 3 2HB LEU 3 11.717 0.641 1.922 17 2HB LEU 3 1HB LEU 3 11.145 2.011 2.838 18 HG LEU 3 HG LEU 3 9.648 0.926 1.040 19 1HD1 LEU 3 1HD1 LEU 3 8.372 2.782 1.079 20 2HD1 LEU 3 2HD1 LEU 3 9.718 3.853 0.690 21 3HD1 LEU 3 3HD1 LEU 3 9.536 3.226 2.329 22 1HD2 LEU 3 1HD2 LEU 3 10.943 2.866 -0.806 23 2HD2 LEU 3 2HD2 LEU 3 9.882 1.510 -1.168 24 3HD2 LEU 3 3HD2 LEU 3 11.551 1.215 -0.687 25 H ILE 4 H ILE 4 13.073 4.356 -0.108 26 HA ILE 4 HA ILE 4 12.441 6.393 1.948 27 HB ILE 4 HB ILE 4 13.249 8.019 0.119 28 1HG1 ILE 4 2HG1 ILE 4 13.476 6.082 -1.545 29 2HG1 ILE 4 1HG1 ILE 4 14.794 7.245 -1.488 30 1HG2 ILE 4 1HG2 ILE 4 14.611 8.236 1.882 31 2HG2 ILE 4 2HG2 ILE 4 15.748 7.289 0.922 32 3HG2 ILE 4 3HG2 ILE 4 14.736 6.494 2.129 33 1HD1 ILE 4 1HD1 ILE 4 15.990 5.325 -1.513 34 2HD1 ILE 4 2HD1 ILE 4 14.739 4.395 -0.696 35 3HD1 ILE 4 3HD1 ILE 4 15.773 5.479 0.228 36 H ILE 5 H ILE 5 10.468 6.932 1.887 37 HA ILE 5 HA ILE 5 8.951 6.657 -0.585 38 HB ILE 5 HB ILE 5 8.529 5.307 1.453 39 1HG1 ILE 5 2HG1 ILE 5 5.971 5.810 1.290 40 2HG1 ILE 5 1HG1 ILE 5 6.473 6.893 -0.006 41 1HG2 ILE 5 1HG2 ILE 5 7.836 7.991 2.508 42 2HG2 ILE 5 2HG2 ILE 5 8.717 6.672 3.261 43 3HG2 ILE 5 3HG2 ILE 5 6.969 6.575 3.087 44 1HD1 ILE 5 1HD1 ILE 5 5.824 4.663 -0.802 45 2HD1 ILE 5 2HD1 ILE 5 7.140 3.971 0.141 46 3HD1 ILE 5 3HD1 ILE 5 7.491 5.074 -1.183 47 H LYS 6 H LYS 6 7.585 8.122 -1.390 48 HA LYS 6 HA LYS 6 7.249 10.724 -0.045 49 1HB LYS 6 2HB LYS 6 8.597 10.392 -2.474 50 2HB LYS 6 1HB LYS 6 6.976 10.880 -2.949 51 1HG LYS 6 2HG LYS 6 7.342 12.728 -1.122 52 2HG LYS 6 1HG LYS 6 9.046 12.384 -1.435 53 1HD LYS 6 2HD LYS 6 8.987 13.310 -3.495 54 2HD LYS 6 1HD LYS 6 7.358 12.715 -3.826 55 1HE LYS 6 2HE LYS 6 7.369 15.142 -3.721 56 2HE LYS 6 1HE LYS 6 6.435 14.473 -2.383 57 1HZ LYS 6 1HZ LYS 6 8.372 14.796 -0.949 58 2HZ LYS 6 2HZ LYS 6 7.844 16.256 -1.619 59 3HZ LYS 6 3HZ LYS 6 9.222 15.491 -2.236 60 H GLU 7 H GLU 7 5.482 9.659 0.826 61 HA GLU 7 HA GLU 7 3.445 8.421 -0.684 62 1HB GLU 7 2HB GLU 7 3.171 9.212 2.151 63 2HB GLU 7 1HB GLU 7 2.567 7.776 1.331 64 1HG GLU 7 2HG GLU 7 4.374 6.701 2.096 65 2HG GLU 7 1HG GLU 7 5.305 7.646 0.943 66 H LYS 8 H LYS 8 1.477 8.963 -1.376 67 HA LYS 8 HA LYS 8 0.384 11.507 -0.516 68 1HB LYS 8 2HB LYS 8 -0.087 10.700 -3.341 69 2HB LYS 8 1HB LYS 8 -0.018 12.309 -2.642 70 1HG LYS 8 2HG LYS 8 2.560 11.454 -2.348 71 2HG LYS 8 1HG LYS 8 2.087 10.705 -3.873 72 1HD LYS 8 2HD LYS 8 1.855 13.636 -3.190 73 2HD LYS 8 1HD LYS 8 3.075 12.909 -4.237 74 1HE LYS 8 2HE LYS 8 1.673 13.349 -5.919 75 2HE LYS 8 1HE LYS 8 0.715 11.998 -5.316 76 1HZ LYS 8 1HZ LYS 8 -0.173 13.963 -3.762 77 2HZ LYS 8 2HZ LYS 8 -0.881 13.563 -5.244 78 3HZ LYS 8 3HZ LYS 8 0.207 14.853 -5.149 79 H ARG 9 H ARG 9 -1.533 10.856 0.515 80 HA ARG 9 HA ARG 9 -2.844 8.476 -0.648 81 1HB ARG 9 2HB ARG 9 -3.017 9.306 2.238 82 2HB ARG 9 1HB ARG 9 -3.467 7.764 1.526 83 1HG ARG 9 2HG ARG 9 -1.342 6.992 1.522 84 2HG ARG 9 1HG ARG 9 -0.646 8.582 1.208 85 1HD ARG 9 2HD ARG 9 -1.718 7.561 3.834 86 2HD ARG 9 1HD ARG 9 -0.027 7.836 3.423 87 HE ARG 9 HE ARG 9 -1.957 9.801 4.231 88 1HH1 ARG 9 1HH1 ARG 9 1.004 9.274 2.462 89 2HH1 ARG 9 2HH1 ARG 9 1.548 10.910 2.639 90 1HH2 ARG 9 1HH2 ARG 9 -1.243 11.950 4.467 91 2HH2 ARG 9 2HH2 ARG 9 0.273 12.429 3.779 92 H ASP 10 H ASP 10 -4.921 8.364 -1.013 93 HA ASP 10 HA ASP 10 -6.654 10.583 -0.169 94 1HB ASP 10 2HB ASP 10 -6.102 10.774 -2.598 95 2HB ASP 10 1HB ASP 10 -6.781 9.168 -2.848 96 H ASN 11 H ASN 11 -8.141 9.739 1.210 97 HA ASN 11 HA ASN 11 -8.925 6.960 0.654 98 1HB ASN 11 2HB ASN 11 -8.691 8.428 3.277 99 2HB ASN 11 1HB ASN 11 -9.438 6.843 3.115 100 1HD2 ASN 11 1HD2 ASN 11 -7.256 7.290 4.747 101 2HD2 ASN 11 2HD2 ASN 11 -5.887 6.455 4.103 102 HA PRO 12 HA PRO 12 -13.066 8.724 0.615 103 1HB PRO 12 2HB PRO 12 -13.855 7.525 -1.623 104 2HB PRO 12 1HB PRO 12 -12.613 8.779 -1.709 105 1HG PRO 12 2HG PRO 12 -12.339 5.858 -2.048 106 2HG PRO 12 1HG PRO 12 -11.289 7.161 -2.628 107 1HD PRO 12 2HD PRO 12 -11.048 5.559 -0.208 108 2HD PRO 12 1HD PRO 12 -9.872 6.683 -0.913 109 H ILE 13 H ILE 13 -14.173 5.996 -0.941 110 HA ILE 13 HA ILE 13 -15.414 4.905 1.385 111 HB ILE 13 HB ILE 13 -16.415 3.315 -0.099 112 1HG1 ILE 13 2HG1 ILE 13 -14.231 4.151 -2.011 113 2HG1 ILE 13 1HG1 ILE 13 -14.481 2.560 -1.303 114 1HG2 ILE 13 1HG2 ILE 13 -16.103 6.000 -1.435 115 2HG2 ILE 13 2HG2 ILE 13 -17.359 5.513 -0.295 116 3HG2 ILE 13 3HG2 ILE 13 -17.299 4.791 -1.902 117 1HD1 ILE 13 1HD1 ILE 13 -16.822 3.296 -2.746 118 2HD1 ILE 13 2HD1 ILE 13 -15.704 1.964 -3.039 119 3HD1 ILE 13 3HD1 ILE 13 -15.408 3.541 -3.772 120 H LEU 14 H LEU 14 -12.769 3.912 -0.765 121 HA LEU 14 HA LEU 14 -12.199 1.653 1.008 122 1HB LEU 14 2HB LEU 14 -11.235 0.485 -0.787 123 2HB LEU 14 1HB LEU 14 -12.756 1.137 -1.350 124 HG LEU 14 HG LEU 14 -11.588 1.707 -3.170 125 1HD1 LEU 14 1HD1 LEU 14 -11.969 3.912 -2.496 126 2HD1 LEU 14 2HD1 LEU 14 -10.279 3.868 -2.991 127 3HD1 LEU 14 3HD1 LEU 14 -10.694 3.861 -1.283 128 1HD2 LEU 14 1HD2 LEU 14 -9.242 1.637 -3.393 129 2HD2 LEU 14 2HD2 LEU 14 -9.664 0.352 -2.260 130 3HD2 LEU 14 3HD2 LEU 14 -8.994 1.871 -1.662 131 H LYS 15 H LYS 15 -11.075 4.614 0.958 132 HA LYS 15 HA LYS 15 -9.089 5.425 1.773 133 1HB LYS 15 2HB LYS 15 -9.635 2.762 2.833 134 2HB LYS 15 1HB LYS 15 -7.988 3.253 3.020 135 1HG LYS 15 2HG LYS 15 -9.295 3.843 4.975 136 2HG LYS 15 1HG LYS 15 -8.751 5.309 4.149 137 1HD LYS 15 2HD LYS 15 -10.917 5.526 3.049 138 2HD LYS 15 1HD LYS 15 -11.464 4.019 3.787 139 1HE LYS 15 2HE LYS 15 -10.880 5.224 6.026 140 2HE LYS 15 1HE LYS 15 -10.991 6.690 5.053 141 1HZ LYS 15 1HZ LYS 15 -13.210 6.506 4.876 142 2HZ LYS 15 2HZ LYS 15 -13.073 5.556 6.268 143 3HZ LYS 15 3HZ LYS 15 -13.187 4.820 4.749 144 H ARG 16 H ARG 16 -8.686 5.087 -0.896 145 HA ARG 16 HA ARG 16 -6.401 3.299 -1.282 146 1HB ARG 16 2HB ARG 16 -8.259 3.315 -2.924 147 2HB ARG 16 1HB ARG 16 -7.876 4.988 -3.305 148 1HG ARG 16 2HG ARG 16 -5.463 3.670 -3.605 149 2HG ARG 16 1HG ARG 16 -6.654 2.541 -4.253 150 1HD ARG 16 2HD ARG 16 -7.295 3.970 -5.933 151 2HD ARG 16 1HD ARG 16 -6.827 5.411 -5.030 152 HE ARG 16 HE ARG 16 -4.590 3.776 -5.752 153 1HH1 ARG 16 1HH1 ARG 16 -6.773 6.251 -6.891 154 2HH1 ARG 16 2HH1 ARG 16 -5.660 6.864 -8.069 155 1HH2 ARG 16 1HH2 ARG 16 -3.127 4.581 -7.299 156 2HH2 ARG 16 2HH2 ARG 16 -3.590 5.917 -8.302 157 H LYS 17 H LYS 17 -4.321 3.958 -1.516 158 HA LYS 17 HA LYS 17 -3.952 6.872 -1.817 159 1HB LYS 17 2HB LYS 17 -2.163 6.896 -0.248 160 2HB LYS 17 1HB LYS 17 -3.563 6.149 0.502 161 1HG LYS 17 2HG LYS 17 -1.759 4.859 1.187 162 2HG LYS 17 1HG LYS 17 -2.491 3.931 -0.124 163 1HD LYS 17 2HD LYS 17 -0.525 5.787 -1.126 164 2HD LYS 17 1HD LYS 17 0.175 4.719 0.093 165 1HE LYS 17 2HE LYS 17 0.139 2.990 -1.317 166 2HE LYS 17 1HE LYS 17 -1.548 3.285 -1.704 167 1HZ LYS 17 1HZ LYS 17 0.636 3.662 -3.315 168 2HZ LYS 17 2HZ LYS 17 0.078 5.196 -2.916 169 3HZ LYS 17 3HZ LYS 17 -0.964 4.089 -3.638 170 H GLU 18 H GLU 18 -1.896 7.616 -2.648 171 HA GLU 18 HA GLU 18 -0.565 5.731 -4.474 172 1HB GLU 18 2HB GLU 18 -0.757 8.460 -5.488 173 2HB GLU 18 1HB GLU 18 -0.994 6.929 -6.316 174 1HG GLU 18 2HG GLU 18 -3.269 6.829 -5.239 175 2HG GLU 18 1HG GLU 18 -3.005 8.492 -4.721 176 H ILE 19 H ILE 19 1.422 5.646 -3.687 177 HA ILE 19 HA ILE 19 2.767 8.148 -2.982 178 HB ILE 19 HB ILE 19 3.701 7.298 -1.041 179 1HG1 ILE 19 2HG1 ILE 19 4.480 5.187 -1.889 180 2HG1 ILE 19 1HG1 ILE 19 3.612 4.959 -0.375 181 1HG2 ILE 19 1HG2 ILE 19 0.849 6.699 -1.376 182 2HG2 ILE 19 2HG2 ILE 19 1.656 7.679 -0.166 183 3HG2 ILE 19 3HG2 ILE 19 1.620 5.928 0.004 184 1HD1 ILE 19 1HD1 ILE 19 2.669 3.308 -1.566 185 2HD1 ILE 19 2HD1 ILE 19 2.911 4.128 -3.104 186 3HD1 ILE 19 3HD1 ILE 19 1.609 4.620 -2.035 187 H LYS 20 H LYS 20 4.974 8.212 -3.286 188 HA LYS 20 HA LYS 20 5.884 6.297 -5.347 189 1HB LYS 20 2HB LYS 20 7.334 7.954 -6.067 190 2HB LYS 20 1HB LYS 20 6.023 8.933 -5.411 191 1HG LYS 20 2HG LYS 20 7.785 9.936 -4.390 192 2HG LYS 20 1HG LYS 20 7.420 8.691 -3.194 193 1HD LYS 20 2HD LYS 20 9.306 7.544 -3.615 194 2HD LYS 20 1HD LYS 20 9.226 7.844 -5.351 195 1HE LYS 20 2HE LYS 20 9.924 10.240 -4.791 196 2HE LYS 20 1HE LYS 20 10.331 9.624 -3.189 197 1HZ LYS 20 1HZ LYS 20 11.970 8.222 -4.084 198 2HZ LYS 20 2HZ LYS 20 12.189 9.706 -4.866 199 3HZ LYS 20 3HZ LYS 20 11.423 8.433 -5.670 200 H TYR 21 H TYR 21 7.660 4.919 -5.004 201 HA TYR 21 HA TYR 21 9.022 5.162 -2.411 202 1HB TYR 21 2HB TYR 21 8.402 3.061 -1.685 203 2HB TYR 21 1HB TYR 21 6.969 3.565 -2.555 204 HD1 TYR 21 1HD TYR 21 8.304 0.722 -1.863 205 HD2 TYR 21 2HD TYR 21 7.866 3.082 -5.369 206 HE1 TYR 21 1HE TYR 21 8.411 -1.314 -3.234 207 HE2 TYR 21 2HE TYR 21 7.971 1.056 -6.755 208 HH TYR 21 HH TYR 21 7.652 -1.307 -6.593 209 H VAL 22 H VAL 22 11.023 4.212 -2.140 210 HA VAL 22 HA VAL 22 12.303 2.850 -4.394 211 HB VAL 22 HB VAL 22 13.378 5.404 -3.236 212 1HG1 VAL 22 1HG1 VAL 22 15.705 4.753 -3.790 213 2HG1 VAL 22 2HG1 VAL 22 15.159 3.112 -4.129 214 3HG1 VAL 22 3HG1 VAL 22 15.059 3.751 -2.492 215 1HG2 VAL 22 1HG2 VAL 22 12.514 5.169 -5.588 216 2HG2 VAL 22 2HG2 VAL 22 13.890 4.109 -5.899 217 3HG2 VAL 22 3HG2 VAL 22 14.157 5.791 -5.447 218 H LEU 23 H LEU 23 13.468 1.139 -3.694 219 HA LEU 23 HA LEU 23 13.940 0.863 -0.849 220 1HB LEU 23 2HB LEU 23 12.340 -0.786 -1.848 221 2HB LEU 23 1HB LEU 23 13.556 -1.251 -3.013 222 HG LEU 23 HG LEU 23 14.710 -1.626 -0.446 223 1HD1 LEU 23 1HD1 LEU 23 11.853 -2.003 -0.388 224 2HD1 LEU 23 2HD1 LEU 23 13.029 -2.150 0.916 225 3HD1 LEU 23 3HD1 LEU 23 12.687 -3.533 -0.123 226 1HD2 LEU 23 1HD2 LEU 23 15.465 -3.363 -1.616 227 2HD2 LEU 23 2HD2 LEU 23 14.281 -3.052 -2.883 228 3HD2 LEU 23 3HD2 LEU 23 13.867 -4.106 -1.533 229 H LYS 24 H LYS 24 16.081 0.904 -0.377 230 HA LYS 24 HA LYS 24 17.950 0.678 -2.612 231 1HB LYS 24 2HB LYS 24 18.642 1.558 0.188 232 2HB LYS 24 1HB LYS 24 19.504 1.910 -1.297 233 1HG LYS 24 2HG LYS 24 17.906 3.502 -1.974 234 2HG LYS 24 1HG LYS 24 16.743 2.957 -0.768 235 1HD LYS 24 2HD LYS 24 17.753 4.095 0.924 236 2HD LYS 24 1HD LYS 24 19.363 3.912 0.228 237 1HE LYS 24 2HE LYS 24 17.883 5.503 -1.560 238 2HE LYS 24 1HE LYS 24 17.548 6.120 0.058 239 1HZ LYS 24 1HZ LYS 24 19.852 6.449 0.446 240 2HZ LYS 24 2HZ LYS 24 19.510 7.131 -1.064 241 3HZ LYS 24 3HZ LYS 24 20.288 5.632 -0.970 242 H PHE 25 H PHE 25 18.915 -1.159 -2.854 243 HA PHE 25 HA PHE 25 19.042 -2.927 -0.529 244 1HB PHE 25 2HB PHE 25 19.354 -4.590 -2.583 245 2HB PHE 25 1HB PHE 25 17.792 -4.151 -1.962 246 HD1 PHE 25 1HD PHE 25 20.007 -4.105 -4.788 247 HD2 PHE 25 2HD PHE 25 16.487 -2.358 -3.152 248 HE1 PHE 25 1HE PHE 25 19.368 -3.311 -7.023 249 HE2 PHE 25 2HE PHE 25 15.843 -1.564 -5.387 250 HZ PHE 25 HZ PHE 25 17.281 -2.037 -7.327 251 H ASP 26 H ASP 26 20.869 -3.690 0.188 252 HA ASP 26 HA ASP 26 23.282 -3.569 -1.468 253 1HB ASP 26 2HB ASP 26 24.553 -2.393 0.324 254 2HB ASP 26 1HB ASP 26 23.308 -1.397 -0.421 255 H SER 27 H SER 27 25.213 -4.485 -0.242 256 HA SER 27 HA SER 27 26.181 -6.316 0.704 257 1HB SER 27 2HB SER 27 23.965 -6.189 2.755 258 2HB SER 27 1HB SER 27 25.602 -6.809 2.970 259 HG SER 27 HG SER 27 26.282 -4.582 2.487 260 H SER 28 H SER 28 25.317 -7.399 -1.279 261 HA SER 28 HA SER 28 24.418 -9.235 -2.286 262 1HB SER 28 2HB SER 28 24.521 -9.996 0.578 263 2HB SER 28 1HB SER 28 23.411 -10.934 -0.421 264 HG SER 28 HG SER 28 26.095 -10.462 -1.176 265 H ARG 29 H ARG 29 22.586 -8.896 -3.390 266 HA ARG 29 HA ARG 29 20.332 -7.631 -2.206 267 1HB ARG 29 2HB ARG 29 20.668 -7.198 -4.494 268 2HB ARG 29 1HB ARG 29 20.829 -8.906 -4.879 269 1HG ARG 29 2HG ARG 29 18.727 -8.274 -5.700 270 2HG ARG 29 1HG ARG 29 18.395 -9.142 -4.202 271 1HD ARG 29 2HD ARG 29 17.276 -7.384 -3.450 272 2HD ARG 29 1HD ARG 29 18.752 -6.423 -3.525 273 HE ARG 29 HE ARG 29 17.902 -6.313 -6.060 274 1HH1 ARG 29 1HH1 ARG 29 16.222 -5.796 -3.042 275 2HH1 ARG 29 2HH1 ARG 29 15.093 -4.674 -3.721 276 1HH2 ARG 29 1HH2 ARG 29 16.417 -4.836 -6.951 277 2HH2 ARG 29 2HH2 ARG 29 15.203 -4.126 -5.938 278 H THR 30 H THR 30 19.112 -8.610 -0.798 279 HA THR 30 HA THR 30 18.202 -11.338 -1.387 280 HB THR 30 HB THR 30 19.789 -10.995 0.552 281 HG1 THR 30 1HG THR 30 17.268 -12.153 1.139 282 1HG2 THR 30 1HG2 THR 30 17.394 -10.152 2.124 283 2HG2 THR 30 2HG2 THR 30 18.487 -8.959 1.419 284 3HG2 THR 30 3HG2 THR 30 19.096 -10.135 2.583 285 HA PRO 31 HA PRO 31 14.369 -8.943 -1.465 286 1HB PRO 31 2HB PRO 31 12.867 -10.809 -2.717 287 2HB PRO 31 1HB PRO 31 14.013 -9.778 -3.587 288 1HG PRO 31 2HG PRO 31 14.334 -12.608 -2.661 289 2HG PRO 31 1HG PRO 31 14.804 -11.875 -4.206 290 1HD PRO 31 2HD PRO 31 16.563 -12.331 -2.176 291 2HD PRO 31 1HD PRO 31 16.749 -11.005 -3.341 292 H SER 32 H SER 32 13.047 -8.816 0.253 293 HA SER 32 HA SER 32 12.324 -11.328 1.629 294 1HB SER 32 2HB SER 32 13.819 -9.309 2.697 295 2HB SER 32 1HB SER 32 12.197 -8.797 3.163 296 HG SER 32 HG SER 32 11.929 -10.959 4.031 297 H ARG 33 H ARG 33 10.175 -11.436 2.512 298 HA ARG 33 HA ARG 33 8.233 -10.064 0.914 299 1HB ARG 33 2HB ARG 33 8.090 -12.054 3.154 300 2HB ARG 33 1HB ARG 33 6.634 -11.241 2.594 301 1HG ARG 33 2HG ARG 33 6.585 -13.143 1.329 302 2HG ARG 33 1HG ARG 33 7.448 -12.052 0.244 303 1HD ARG 33 2HD ARG 33 9.109 -13.526 0.171 304 2HD ARG 33 1HD ARG 33 9.403 -13.215 1.881 305 HE ARG 33 HE ARG 33 7.313 -15.126 1.412 306 1HH1 ARG 33 1HH1 ARG 33 10.762 -14.695 1.735 307 2HH1 ARG 33 2HH1 ARG 33 11.048 -16.333 2.212 308 1HH2 ARG 33 1HH2 ARG 33 7.688 -17.283 2.040 309 2HH2 ARG 33 2HH2 ARG 33 9.304 -17.804 2.386 310 H GLU 34 H GLU 34 9.036 -10.068 4.353 311 HA GLU 34 HA GLU 34 7.222 -7.964 5.026 312 1HB GLU 34 2HB GLU 34 8.153 -9.886 6.495 313 2HB GLU 34 1HB GLU 34 9.521 -8.812 6.750 314 1HG GLU 34 2HG GLU 34 8.399 -7.774 8.340 315 2HG GLU 34 1HG GLU 34 7.180 -7.292 7.162 316 H GLU 35 H GLU 35 10.774 -8.115 4.730 317 HA GLU 35 HA GLU 35 11.313 -5.568 5.647 318 1HB GLU 35 2HB GLU 35 12.846 -6.995 3.479 319 2HB GLU 35 1HB GLU 35 13.454 -5.743 4.549 320 1HG GLU 35 2HG GLU 35 12.332 -8.045 5.949 321 2HG GLU 35 1HG GLU 35 13.724 -8.425 4.938 322 H ILE 36 H ILE 36 10.903 -6.469 2.174 323 HA ILE 36 HA ILE 36 11.102 -3.715 1.411 324 HB ILE 36 HB ILE 36 11.768 -5.502 -0.127 325 1HG1 ILE 36 2HG1 ILE 36 10.380 -3.161 -0.722 326 2HG1 ILE 36 1HG1 ILE 36 11.400 -4.079 -1.818 327 1HG2 ILE 36 1HG2 ILE 36 9.857 -7.013 0.564 328 2HG2 ILE 36 2HG2 ILE 36 10.286 -7.001 -1.144 329 3HG2 ILE 36 3HG2 ILE 36 8.867 -6.116 -0.581 330 1HD1 ILE 36 1HD1 ILE 36 9.092 -3.458 -2.636 331 2HD1 ILE 36 2HD1 ILE 36 8.474 -4.651 -1.493 332 3HD1 ILE 36 3HD1 ILE 36 9.555 -5.154 -2.793 333 H LYS 37 H LYS 37 8.432 -6.003 1.360 334 HA LYS 37 HA LYS 37 6.407 -4.205 0.656 335 1HB LYS 37 2HB LYS 37 6.000 -6.641 2.366 336 2HB LYS 37 1HB LYS 37 4.816 -5.854 1.336 337 1HG LYS 37 2HG LYS 37 6.042 -6.518 -0.644 338 2HG LYS 37 1HG LYS 37 7.302 -7.241 0.357 339 1HD LYS 37 2HD LYS 37 5.872 -8.998 -0.410 340 2HD LYS 37 1HD LYS 37 5.571 -8.764 1.312 341 1HE LYS 37 2HE LYS 37 3.451 -9.004 0.286 342 2HE LYS 37 1HE LYS 37 3.633 -7.291 0.658 343 1HZ LYS 37 1HZ LYS 37 4.543 -7.209 -1.765 344 2HZ LYS 37 2HZ LYS 37 2.876 -7.213 -1.484 345 3HZ LYS 37 3HZ LYS 37 3.657 -8.637 -1.950 346 H GLU 38 H GLU 38 7.161 -5.301 3.958 347 HA GLU 38 HA GLU 38 5.219 -3.547 5.004 348 1HB GLU 38 2HB GLU 38 5.679 -4.488 6.960 349 2HB GLU 38 1HB GLU 38 6.644 -5.603 6.012 350 1HG GLU 38 2HG GLU 38 8.653 -4.329 6.502 351 2HG GLU 38 1HG GLU 38 7.705 -3.132 7.377 352 H LEU 39 H LEU 39 8.805 -3.217 4.875 353 HA LEU 39 HA LEU 39 8.790 -0.641 5.949 354 1HB LEU 39 2HB LEU 39 10.967 -0.927 5.851 355 2HB LEU 39 1HB LEU 39 10.717 -2.395 4.947 356 HG LEU 39 HG LEU 39 10.802 0.204 3.499 357 1HD1 LEU 39 1HD1 LEU 39 13.337 -0.449 3.263 358 2HD1 LEU 39 2HD1 LEU 39 13.065 -1.160 4.854 359 3HD1 LEU 39 3HD1 LEU 39 12.774 0.560 4.595 360 1HD2 LEU 39 1HD2 LEU 39 12.050 -2.350 2.621 361 2HD2 LEU 39 2HD2 LEU 39 11.301 -1.077 1.658 362 3HD2 LEU 39 3HD2 LEU 39 10.297 -2.193 2.576 363 H ILE 40 H ILE 40 8.004 -1.708 2.696 364 HA ILE 40 HA ILE 40 8.078 0.972 1.663 365 HB ILE 40 HB ILE 40 7.236 0.208 -0.386 366 1HG1 ILE 40 2HG1 ILE 40 6.755 -2.431 0.962 367 2HG1 ILE 40 1HG1 ILE 40 5.520 -1.328 0.377 368 1HG2 ILE 40 1HG2 ILE 40 9.496 -1.053 0.913 369 2HG2 ILE 40 2HG2 ILE 40 9.374 -0.295 -0.670 370 3HG2 ILE 40 3HG2 ILE 40 8.888 -1.973 -0.461 371 1HD1 ILE 40 1HD1 ILE 40 6.490 -1.613 -1.909 372 2HD1 ILE 40 2HD1 ILE 40 5.742 -3.058 -1.224 373 3HD1 ILE 40 3HD1 ILE 40 7.497 -2.897 -1.244 374 H ALA 41 H ALA 41 5.333 -1.225 2.411 375 HA ALA 41 HA ALA 41 3.344 0.716 1.896 376 1HB ALA 41 1HB ALA 41 2.304 -0.869 3.913 377 2HB ALA 41 2HB ALA 41 3.437 -1.910 3.061 378 3HB ALA 41 3HB ALA 41 2.132 -1.120 2.179 379 H LYS 42 H LYS 42 4.849 -0.281 4.883 380 HA LYS 42 HA LYS 42 3.408 1.301 6.617 381 1HB LYS 42 2HB LYS 42 6.304 0.477 6.875 382 2HB LYS 42 1HB LYS 42 5.180 0.837 8.191 383 1HG LYS 42 2HG LYS 42 3.733 -1.049 7.277 384 2HG LYS 42 1HG LYS 42 5.121 -1.527 6.281 385 1HD LYS 42 2HD LYS 42 6.393 -2.069 8.193 386 2HD LYS 42 1HD LYS 42 5.318 -1.184 9.276 387 1HE LYS 42 2HE LYS 42 3.880 -3.229 7.818 388 2HE LYS 42 1HE LYS 42 5.245 -3.916 8.698 389 1HZ LYS 42 1HZ LYS 42 2.811 -2.697 9.713 390 2HZ LYS 42 2HZ LYS 42 4.227 -2.329 10.564 391 3HZ LYS 42 3HZ LYS 42 3.755 -3.941 10.366 392 H HIS 43 H HIS 43 6.455 1.990 4.958 393 HA HIS 43 HA HIS 43 6.691 4.693 5.777 394 1HB HIS 43 2HB HIS 43 7.676 3.133 3.404 395 2HB HIS 43 1HB HIS 43 7.939 4.855 3.531 396 HD1 HIS 43 1HD HIS 43 8.329 2.171 6.195 397 HD2 HIS 43 2HD HIS 43 10.549 5.089 4.241 398 HE1 HIS 43 1HE HIS 43 10.587 2.149 7.301 399 HE2 HIS 43 2HE HIS 43 11.884 3.984 6.160 400 H GLU 44 H GLU 44 5.250 3.063 3.038 401 HA GLU 44 HA GLU 44 4.418 5.148 1.486 402 1HB GLU 44 2HB GLU 44 3.254 2.462 1.925 403 2HB GLU 44 1HB GLU 44 2.578 3.604 0.773 404 1HG GLU 44 2HG GLU 44 4.327 3.404 -0.668 405 2HG GLU 44 1HG GLU 44 5.482 3.088 0.604 406 H GLY 45 H GLY 45 3.448 4.478 4.601 407 1HA GLY 45 2HA GLY 45 2.162 6.084 5.802 408 2HA GLY 45 1HA GLY 45 1.328 6.475 4.298 409 H VAL 46 H VAL 46 2.010 3.182 5.100 410 HA VAL 46 HA VAL 46 -0.689 2.714 6.099 411 HB VAL 46 HB VAL 46 -0.838 0.955 4.112 412 1HG1 VAL 46 1HG1 VAL 46 -2.606 2.213 3.517 413 2HG1 VAL 46 2HG1 VAL 46 -1.606 3.629 3.199 414 3HG1 VAL 46 3HG1 VAL 46 -2.119 3.263 4.846 415 1HG2 VAL 46 1HG2 VAL 46 0.936 1.304 2.721 416 2HG2 VAL 46 2HG2 VAL 46 1.171 2.966 3.257 417 3HG2 VAL 46 3HG2 VAL 46 -0.098 2.588 2.100 418 H ASP 47 H ASP 47 -1.169 0.344 6.398 419 HA ASP 47 HA ASP 47 1.046 -0.894 7.766 420 1HB ASP 47 2HB ASP 47 -1.624 -2.178 7.313 421 2HB ASP 47 1HB ASP 47 -0.525 -2.382 8.674 422 H LYS 48 H LYS 48 0.920 -3.483 7.529 423 HA LYS 48 HA LYS 48 2.133 -4.088 5.041 424 1HB LYS 48 2HB LYS 48 2.099 -6.453 5.935 425 2HB LYS 48 1HB LYS 48 2.931 -5.264 6.927 426 1HG LYS 48 2HG LYS 48 1.623 -5.697 8.658 427 2HG LYS 48 1HG LYS 48 0.169 -5.437 7.693 428 1HD LYS 48 2HD LYS 48 -0.196 -7.623 8.086 429 2HD LYS 48 1HD LYS 48 0.967 -7.863 6.781 430 1HE LYS 48 2HE LYS 48 2.715 -8.309 8.267 431 2HE LYS 48 1HE LYS 48 1.857 -7.596 9.632 432 1HZ LYS 48 1HZ LYS 48 0.956 -10.059 8.249 433 2HZ LYS 48 2HZ LYS 48 0.385 -9.433 9.713 434 3HZ LYS 48 3HZ LYS 48 1.948 -10.073 9.620 435 H GLU 49 H GLU 49 -1.112 -4.394 6.247 436 HA GLU 49 HA GLU 49 -2.011 -6.348 4.375 437 1HB GLU 49 2HB GLU 49 -3.369 -4.332 6.135 438 2HB GLU 49 1HB GLU 49 -4.297 -5.202 4.929 439 1HG GLU 49 2HG GLU 49 -4.576 -6.386 6.923 440 2HG GLU 49 1HG GLU 49 -3.426 -7.325 5.972 441 H LEU 50 H LEU 50 -2.040 -2.857 4.444 442 HA LEU 50 HA LEU 50 -3.322 -2.417 1.997 443 1HB LEU 50 2HB LEU 50 -1.709 -0.258 3.086 444 2HB LEU 50 1HB LEU 50 -3.403 -0.276 2.683 445 HG LEU 50 HG LEU 50 -2.085 -1.026 5.276 446 1HD1 LEU 50 1HD1 LEU 50 -2.613 1.169 5.467 447 2HD1 LEU 50 2HD1 LEU 50 -4.160 0.480 5.951 448 3HD1 LEU 50 3HD1 LEU 50 -3.937 1.071 4.306 449 1HD2 LEU 50 1HD2 LEU 50 -3.642 -2.503 5.812 450 2HD2 LEU 50 2HD2 LEU 50 -4.279 -2.415 4.174 451 3HD2 LEU 50 3HD2 LEU 50 -4.917 -1.354 5.425 452 H VAL 51 H VAL 51 -0.505 -3.906 1.970 453 HA VAL 51 HA VAL 51 0.848 -1.880 0.328 454 HB VAL 51 HB VAL 51 2.145 -4.500 0.627 455 1HG1 VAL 51 1HG1 VAL 51 3.911 -2.671 1.455 456 2HG1 VAL 51 2HG1 VAL 51 2.844 -1.646 0.499 457 3HG1 VAL 51 3HG1 VAL 51 3.619 -3.046 -0.240 458 1HG2 VAL 51 1HG2 VAL 51 1.499 -4.657 2.793 459 2HG2 VAL 51 2HG2 VAL 51 1.261 -2.924 2.986 460 3HG2 VAL 51 3HG2 VAL 51 2.888 -3.604 3.007 461 H ILE 52 H ILE 52 0.435 -1.807 -1.716 462 HA ILE 52 HA ILE 52 0.614 -4.248 -3.299 463 HB ILE 52 HB ILE 52 -1.682 -4.065 -3.505 464 1HG1 ILE 52 2HG1 ILE 52 -2.202 -3.286 -5.691 465 2HG1 ILE 52 1HG1 ILE 52 -0.909 -2.096 -5.641 466 1HG2 ILE 52 1HG2 ILE 52 -1.576 -1.771 -2.244 467 2HG2 ILE 52 2HG2 ILE 52 -2.990 -2.223 -3.192 468 3HG2 ILE 52 3HG2 ILE 52 -1.797 -1.122 -3.866 469 1HD1 ILE 52 1HD1 ILE 52 -0.004 -4.857 -5.328 470 2HD1 ILE 52 2HD1 ILE 52 0.620 -3.565 -6.353 471 3HD1 ILE 52 3HD1 ILE 52 -0.772 -4.510 -6.878 472 H VAL 53 H VAL 53 2.617 -3.819 -4.318 473 HA VAL 53 HA VAL 53 2.692 -1.217 -5.689 474 HB VAL 53 HB VAL 53 4.726 -0.563 -4.971 475 1HG1 VAL 53 1HG1 VAL 53 4.904 -0.683 -2.698 476 2HG1 VAL 53 2HG1 VAL 53 4.511 -2.398 -2.638 477 3HG1 VAL 53 3HG1 VAL 53 3.238 -1.215 -2.925 478 1HG2 VAL 53 1HG2 VAL 53 6.553 -2.077 -4.233 479 2HG2 VAL 53 2HG2 VAL 53 6.050 -2.288 -5.909 480 3HG2 VAL 53 3HG2 VAL 53 5.527 -3.440 -4.679 481 H ASP 54 H ASP 54 2.682 -1.468 -7.747 482 HA ASP 54 HA ASP 54 4.114 -3.740 -8.961 483 1HB ASP 54 2HB ASP 54 1.442 -2.612 -9.439 484 2HB ASP 54 1HB ASP 54 2.380 -2.869 -10.906 485 H ASN 55 H ASN 55 5.160 -3.352 -10.997 486 HA ASN 55 HA ASN 55 6.559 -2.193 -12.366 487 1HB ASN 55 2HB ASN 55 4.185 -0.929 -12.580 488 2HB ASN 55 1HB ASN 55 5.168 0.394 -11.962 489 1HD2 ASN 55 1HD2 ASN 55 4.227 -1.314 -14.680 490 2HD2 ASN 55 2HD2 ASN 55 5.386 -0.687 -15.796 491 H ASN 56 H ASN 56 8.450 -1.035 -12.210 492 HA ASN 56 HA ASN 56 8.832 0.737 -9.931 493 1HB ASN 56 2HB ASN 56 11.010 -0.547 -9.417 494 2HB ASN 56 1HB ASN 56 9.487 -1.218 -8.842 495 1HD2 ASN 56 1HD2 ASN 56 9.939 -3.335 -8.826 496 2HD2 ASN 56 2HD2 ASN 56 10.404 -4.253 -10.214 497 H LYS 57 H LYS 57 9.496 2.519 -10.966 498 HA LYS 57 HA LYS 57 11.205 2.423 -13.290 499 1HB LYS 57 2HB LYS 57 11.059 4.841 -13.252 500 2HB LYS 57 1HB LYS 57 9.458 4.192 -12.928 501 1HG LYS 57 2HG LYS 57 10.427 4.466 -10.405 502 2HG LYS 57 1HG LYS 57 11.222 5.807 -11.225 503 1HD LYS 57 2HD LYS 57 8.882 6.358 -12.145 504 2HD LYS 57 1HD LYS 57 8.284 5.295 -10.872 505 1HE LYS 57 2HE LYS 57 8.789 6.775 -9.216 506 2HE LYS 57 1HE LYS 57 10.257 7.322 -10.032 507 1HZ LYS 57 1HZ LYS 57 8.175 8.865 -9.817 508 2HZ LYS 57 2HZ LYS 57 7.673 8.043 -11.206 509 3HZ LYS 57 3HZ LYS 57 9.135 8.894 -11.210 510 H GLN 58 H GLN 58 13.362 1.986 -13.052 511 HA GLN 58 HA GLN 58 14.606 2.704 -10.494 512 1HB GLN 58 2HB GLN 58 14.730 0.361 -11.543 513 2HB GLN 58 1HB GLN 58 15.899 1.062 -12.654 514 1HG GLN 58 2HG GLN 58 16.840 1.883 -10.221 515 2HG GLN 58 1HG GLN 58 16.195 0.283 -9.860 516 1HE2 GLN 58 1HE2 GLN 58 18.908 0.940 -9.720 517 2HE2 GLN 58 2HE2 GLN 58 19.754 0.041 -10.928 518 H LEU 59 H LEU 59 15.407 4.706 -10.484 519 HA LEU 59 HA LEU 59 17.166 5.483 -12.711 520 1HB LEU 59 2HB LEU 59 16.556 7.889 -11.670 521 2HB LEU 59 1HB LEU 59 15.717 7.171 -13.025 522 HG LEU 59 HG LEU 59 14.177 8.171 -11.412 523 1HD1 LEU 59 1HD1 LEU 59 14.038 5.532 -12.446 524 2HD1 LEU 59 2HD1 LEU 59 12.728 6.666 -12.118 525 3HD1 LEU 59 3HD1 LEU 59 13.268 5.554 -10.863 526 1HD2 LEU 59 1HD2 LEU 59 15.825 7.340 -9.469 527 2HD2 LEU 59 2HD2 LEU 59 14.605 6.071 -9.387 528 3HD2 LEU 59 3HD2 LEU 59 14.138 7.760 -9.205 529 H THR 60 H THR 60 19.220 5.361 -12.048 530 HA THR 60 HA THR 60 20.425 6.903 -10.159 531 HB THR 60 HB THR 60 19.182 5.968 -8.356 532 HG1 THR 60 1HG THR 60 20.809 5.348 -7.107 533 1HG2 THR 60 1HG2 THR 60 18.415 3.912 -9.496 534 2HG2 THR 60 2HG2 THR 60 18.990 3.638 -7.853 535 3HG2 THR 60 3HG2 THR 60 20.010 3.213 -9.226 536 H GLY 61 H GLY 61 22.502 5.729 -9.191 537 1HA GLY 61 2HA GLY 61 23.630 4.105 -11.386 538 2HA GLY 61 1HA GLY 61 24.543 5.340 -10.531 539 H LYS 62 H LYS 62 23.307 4.534 -7.942 540 HA LYS 62 HA LYS 62 25.297 2.715 -7.117 541 1HB LYS 62 2HB LYS 62 24.357 4.309 -5.558 542 2HB LYS 62 1HB LYS 62 22.755 3.620 -5.752 543 1HG LYS 62 2HG LYS 62 23.151 1.971 -4.290 544 2HG LYS 62 1HG LYS 62 24.792 1.704 -4.882 545 1HD LYS 62 2HD LYS 62 25.039 2.473 -2.667 546 2HD LYS 62 1HD LYS 62 25.412 3.862 -3.691 547 1HE LYS 62 2HE LYS 62 22.772 4.230 -3.371 548 2HE LYS 62 1HE LYS 62 23.140 3.405 -1.858 549 1HZ LYS 62 1HZ LYS 62 23.351 6.005 -2.114 550 2HZ LYS 62 2HZ LYS 62 24.899 5.594 -2.659 551 3HZ LYS 62 3HZ LYS 62 24.392 5.123 -1.115 552 H HIS 63 H HIS 63 21.911 2.001 -6.366 553 HA HIS 63 HA HIS 63 21.360 -0.073 -8.051 554 1HB HIS 63 2HB HIS 63 23.417 -0.813 -6.112 555 2HB HIS 63 1HB HIS 63 22.026 -1.891 -6.068 556 HD1 HIS 63 1HD HIS 63 24.899 -2.677 -7.127 557 HD2 HIS 63 2HD HIS 63 21.639 -1.617 -9.476 558 HE1 HIS 63 1HE HIS 63 25.332 -3.706 -9.380 559 HE2 HIS 63 2HE HIS 63 23.309 -3.116 -10.762 560 H GLU 64 H GLU 64 19.680 1.652 -6.955 561 HA GLU 64 HA GLU 64 18.151 0.053 -5.066 562 1HB GLU 64 2HB GLU 64 18.342 3.071 -5.093 563 2HB GLU 64 1HB GLU 64 17.525 2.063 -3.897 564 1HG GLU 64 2HG GLU 64 19.522 1.307 -2.974 565 2HG GLU 64 1HG GLU 64 20.447 1.702 -4.408 566 H ILE 65 H ILE 65 15.818 0.359 -5.350 567 HA ILE 65 HA ILE 65 15.271 1.075 -8.155 568 HB ILE 65 HB ILE 65 15.024 -1.340 -7.239 569 1HG1 ILE 65 2HG1 ILE 65 12.802 0.001 -8.796 570 2HG1 ILE 65 1HG1 ILE 65 14.287 -0.671 -9.464 571 1HG2 ILE 65 1HG2 ILE 65 13.178 -1.925 -6.013 572 2HG2 ILE 65 2HG2 ILE 65 12.279 -0.479 -6.471 573 3HG2 ILE 65 3HG2 ILE 65 13.593 -0.367 -5.299 574 1HD1 ILE 65 1HD1 ILE 65 13.454 -2.871 -8.348 575 2HD1 ILE 65 2HD1 ILE 65 12.789 -2.346 -9.895 576 3HD1 ILE 65 3HD1 ILE 65 11.885 -2.069 -8.405 577 H GLU 66 H GLU 66 13.691 2.357 -8.703 578 HA GLU 66 HA GLU 66 12.070 3.576 -6.577 579 1HB GLU 66 2HB GLU 66 13.728 5.133 -7.553 580 2HB GLU 66 1HB GLU 66 13.084 4.815 -9.146 581 1HG GLU 66 2HG GLU 66 11.278 6.133 -8.846 582 2HG GLU 66 1HG GLU 66 11.169 5.772 -7.130 583 H GLY 67 H GLY 67 9.997 4.445 -7.342 584 1HA GLY 67 2HA GLY 67 8.765 3.900 -9.739 585 2HA GLY 67 1HA GLY 67 8.576 2.439 -8.782 586 H TYR 68 H TYR 68 6.287 2.886 -8.907 587 HA TYR 68 HA TYR 68 5.525 4.850 -6.853 588 1HB TYR 68 2HB TYR 68 3.424 5.229 -8.056 589 2HB TYR 68 1HB TYR 68 4.798 5.619 -9.083 590 HD1 TYR 68 1HD TYR 68 5.313 4.278 -11.037 591 HD2 TYR 68 2HD TYR 68 2.029 3.285 -8.520 592 HE1 TYR 68 1HE TYR 68 4.447 2.766 -12.772 593 HE2 TYR 68 2HE TYR 68 1.156 1.769 -10.248 594 HH TYR 68 HH TYR 68 2.212 0.435 -12.233 595 H THR 69 H THR 69 4.349 4.073 -5.244 596 HA THR 69 HA THR 69 3.540 1.265 -5.443 597 HB THR 69 HB THR 69 4.295 2.943 -3.047 598 HG1 THR 69 1HG THR 69 5.767 1.206 -2.800 599 1HG2 THR 69 1HG2 THR 69 2.595 0.542 -3.179 600 2HG2 THR 69 2HG2 THR 69 2.697 1.797 -1.958 601 3HG2 THR 69 3HG2 THR 69 3.893 0.520 -2.003 602 H LYS 70 H LYS 70 1.603 0.547 -4.750 603 HA LYS 70 HA LYS 70 -0.560 2.545 -4.480 604 1HB LYS 70 2HB LYS 70 -0.173 0.668 -6.426 605 2HB LYS 70 1HB LYS 70 -1.189 -0.209 -5.301 606 1HG LYS 70 2HG LYS 70 -2.636 1.991 -5.404 607 2HG LYS 70 1HG LYS 70 -1.818 2.175 -6.957 608 1HD LYS 70 2HD LYS 70 -2.608 -0.023 -7.648 609 2HD LYS 70 1HD LYS 70 -3.380 -0.256 -6.079 610 1HE LYS 70 2HE LYS 70 -4.456 2.112 -6.844 611 2HE LYS 70 1HE LYS 70 -4.248 1.321 -8.404 612 1HZ LYS 70 1HZ LYS 70 -5.959 0.560 -6.147 613 2HZ LYS 70 2HZ LYS 70 -5.345 -0.666 -7.139 614 3HZ LYS 70 3HZ LYS 70 -6.299 0.561 -7.805 615 H ILE 71 H ILE 71 -2.066 2.194 -2.744 616 HA ILE 71 HA ILE 71 -1.528 -0.230 -1.159 617 HB ILE 71 HB ILE 71 -1.212 2.533 -0.191 618 1HG1 ILE 71 2HG1 ILE 71 0.142 0.447 1.241 619 2HG1 ILE 71 1HG1 ILE 71 0.337 0.220 -0.493 620 1HG2 ILE 71 1HG2 ILE 71 -2.869 0.629 1.206 621 2HG2 ILE 71 2HG2 ILE 71 -2.616 2.342 1.504 622 3HG2 ILE 71 3HG2 ILE 71 -1.487 1.157 2.145 623 1HD1 ILE 71 1HD1 ILE 71 0.753 2.956 0.442 624 2HD1 ILE 71 2HD1 ILE 71 1.693 1.974 -0.676 625 3HD1 ILE 71 3HD1 ILE 71 1.888 1.765 1.056 626 H TYR 72 H TYR 72 -3.052 -1.154 -0.010 627 HA TYR 72 HA TYR 72 -5.762 0.030 -0.234 628 1HB TYR 72 2HB TYR 72 -6.680 -2.294 -0.165 629 2HB TYR 72 1HB TYR 72 -5.811 -1.881 -1.634 630 HD1 TYR 72 1HD TYR 72 -3.124 -2.474 -1.310 631 HD2 TYR 72 2HD TYR 72 -6.406 -4.460 0.513 632 HE1 TYR 72 1HE TYR 72 -1.763 -4.508 -1.102 633 HE2 TYR 72 2HE TYR 72 -5.051 -6.500 0.737 634 HH TYR 72 HH TYR 72 -2.029 -6.881 -0.836 635 H ALA 73 H ALA 73 -6.424 0.771 1.578 636 HA ALA 73 HA ALA 73 -5.497 -0.286 4.108 637 1HB ALA 73 1HB ALA 73 -6.118 2.248 3.183 638 2HB ALA 73 2HB ALA 73 -5.721 1.790 4.839 639 3HB ALA 73 3HB ALA 73 -7.407 1.858 4.323 640 H ASP 74 H ASP 74 -8.181 -0.735 2.091 641 HA ASP 74 HA ASP 74 -10.158 -1.109 4.117 642 1HB ASP 74 2HB ASP 74 -11.474 -2.144 2.233 643 2HB ASP 74 1HB ASP 74 -10.925 -0.496 1.948 644 H LYS 75 H LYS 75 -7.567 -3.034 3.105 645 HA LYS 75 HA LYS 75 -8.725 -5.596 3.295 646 1HB LYS 75 2HB LYS 75 -6.333 -4.747 2.473 647 2HB LYS 75 1HB LYS 75 -5.893 -5.252 4.098 648 1HG LYS 75 2HG LYS 75 -7.345 -7.384 3.272 649 2HG LYS 75 1HG LYS 75 -6.616 -6.857 1.755 650 1HD LYS 75 2HD LYS 75 -4.543 -7.472 2.397 651 2HD LYS 75 1HD LYS 75 -4.788 -6.930 4.059 652 1HE LYS 75 2HE LYS 75 -6.148 -8.943 4.483 653 2HE LYS 75 1HE LYS 75 -5.820 -9.489 2.840 654 1HZ LYS 75 1HZ LYS 75 -3.862 -9.133 5.040 655 2HZ LYS 75 2HZ LYS 75 -3.416 -9.421 3.434 656 3HZ LYS 75 3HZ LYS 75 -4.309 -10.580 4.285 657 HA PRO 76 HA PRO 76 -7.079 -5.687 7.875 658 1HB PRO 76 2HB PRO 76 -6.808 -3.213 9.039 659 2HB PRO 76 1HB PRO 76 -5.469 -4.139 8.353 660 1HG PRO 76 2HG PRO 76 -7.036 -1.898 7.148 661 2HG PRO 76 1HG PRO 76 -5.291 -2.209 7.090 662 1HD PRO 76 2HD PRO 76 -6.897 -2.778 5.011 663 2HD PRO 76 1HD PRO 76 -5.507 -3.803 5.419 664 H SER 77 H SER 77 -8.960 -2.765 7.091 665 HA SER 77 HA SER 77 -10.715 -2.860 9.258 666 1HB SER 77 2HB SER 77 -12.216 -1.472 7.892 667 2HB SER 77 1HB SER 77 -10.549 -0.926 7.728 668 HG SER 77 HG SER 77 -11.938 -2.603 5.905 669 H ALA 78 H ALA 78 -10.687 -4.578 6.215 670 HA ALA 78 HA ALA 78 -13.309 -5.672 6.446 671 1HB ALA 78 1HB ALA 78 -10.991 -6.702 4.815 672 2HB ALA 78 2HB ALA 78 -12.104 -5.437 4.295 673 3HB ALA 78 3HB ALA 78 -12.700 -7.072 4.581 674 H MET 79 H MET 79 -10.039 -6.928 7.121 675 HA MET 79 HA MET 79 -10.972 -9.468 8.006 676 1HB MET 79 2HB MET 79 -8.561 -8.531 7.257 677 2HB MET 79 1HB MET 79 -8.368 -8.472 9.003 678 1HG MET 79 2HG MET 79 -8.478 -10.744 9.235 679 2HG MET 79 1HG MET 79 -9.437 -10.958 7.771 680 1HE MET 79 1HE MET 79 -7.971 -12.119 5.481 681 2HE MET 79 2HE MET 79 -7.061 -10.717 4.916 682 3HE MET 79 3HE MET 79 -8.695 -10.512 5.548 683 H LEU 80 H LEU 80 -9.915 -6.543 9.741 684 HA LEU 80 HA LEU 80 -10.356 -7.729 12.313 685 1HB LEU 80 2HB LEU 80 -8.737 -5.816 11.588 686 2HB LEU 80 1HB LEU 80 -10.122 -4.782 11.883 687 HG LEU 80 HG LEU 80 -8.727 -4.794 13.840 688 1HD1 LEU 80 1HD1 LEU 80 -10.978 -6.604 14.608 689 2HD1 LEU 80 2HD1 LEU 80 -11.308 -4.992 13.976 690 3HD1 LEU 80 3HD1 LEU 80 -10.347 -5.184 15.442 691 1HD2 LEU 80 1HD2 LEU 80 -8.634 -7.682 13.302 692 2HD2 LEU 80 2HD2 LEU 80 -8.776 -7.238 15.002 693 3HD2 LEU 80 3HD2 LEU 80 -7.433 -6.621 14.039 694 H TYR 81 H TYR 81 -12.166 -5.400 10.318 695 HA TYR 81 HA TYR 81 -14.269 -5.393 12.362 696 1HB TYR 81 2HB TYR 81 -13.993 -3.599 9.946 697 2HB TYR 81 1HB TYR 81 -15.186 -3.443 11.228 698 HD1 TYR 81 1HD TYR 81 -14.776 -1.851 12.834 699 HD2 TYR 81 2HD TYR 81 -11.463 -3.681 10.890 700 HE1 TYR 81 1HE TYR 81 -13.242 -0.404 14.099 701 HE2 TYR 81 2HE TYR 81 -9.920 -2.239 12.150 702 HH TYR 81 HH TYR 81 -9.850 -0.929 14.162 703 H GLU 82 H GLU 82 -13.565 -7.269 9.833 704 HA GLU 82 HA GLU 82 -14.771 -8.728 8.578 705 1HB GLU 82 2HB GLU 82 -16.617 -7.945 10.704 706 2HB GLU 82 1HB GLU 82 -17.441 -8.430 9.229 707 1HG GLU 82 2HG GLU 82 -15.297 -10.108 10.483 708 2HG GLU 82 1HG GLU 82 -16.991 -10.228 10.958 709 HA PRO 83 HA PRO 83 -15.925 -6.080 5.197 710 1HB PRO 83 2HB PRO 83 -16.960 -8.510 3.895 711 2HB PRO 83 1HB PRO 83 -15.658 -7.432 3.389 712 1HG PRO 83 2HG PRO 83 -15.164 -9.903 4.318 713 2HG PRO 83 1HG PRO 83 -14.070 -8.544 4.640 714 1HD PRO 83 2HD PRO 83 -16.117 -9.798 6.432 715 2HD PRO 83 1HD PRO 83 -14.477 -9.229 6.815 716 H ASP 84 H ASP 84 -18.114 -7.936 7.039 717 HA ASP 84 HA ASP 84 -20.464 -7.167 5.536 718 1HB ASP 84 2HB ASP 84 -19.948 -9.306 7.104 719 2HB ASP 84 1HB ASP 84 -20.779 -8.270 8.261 720 H TYR 85 H TYR 85 -18.560 -5.267 7.171 721 HA TYR 85 HA TYR 85 -20.750 -3.609 8.133 722 1HB TYR 85 2HB TYR 85 -19.573 -5.104 10.000 723 2HB TYR 85 1HB TYR 85 -18.397 -3.794 9.951 724 HD1 TYR 85 1HD TYR 85 -22.109 -3.701 9.594 725 HD2 TYR 85 2HD TYR 85 -18.719 -2.584 11.912 726 HE1 TYR 85 1HE TYR 85 -23.558 -2.357 11.056 727 HE2 TYR 85 2HE TYR 85 -20.161 -1.239 13.382 728 HH TYR 85 HH TYR 85 -22.453 -0.053 13.131 729 H GLU 86 H GLU 86 -20.370 -1.437 7.965 730 HA GLU 86 HA GLU 86 -17.683 -0.565 7.183 731 1HB GLU 86 2HB GLU 86 -18.697 0.875 5.413 732 2HB GLU 86 1HB GLU 86 -18.825 -0.848 5.088 733 1HG GLU 86 2HG GLU 86 -21.162 -0.424 6.360 734 2HG GLU 86 1HG GLU 86 -20.923 1.145 5.595 735 H LEU 87 H LEU 87 -17.647 0.234 9.374 736 HA LEU 87 HA LEU 87 -19.514 2.132 10.337 737 1HB LEU 87 2HB LEU 87 -16.956 1.000 11.201 738 2HB LEU 87 1HB LEU 87 -17.185 2.663 11.703 739 HG LEU 87 HG LEU 87 -19.089 0.395 12.287 740 1HD1 LEU 87 1HD1 LEU 87 -16.689 0.728 13.445 741 2HD1 LEU 87 2HD1 LEU 87 -18.101 0.100 14.292 742 3HD1 LEU 87 3HD1 LEU 87 -17.664 1.800 14.450 743 1HD2 LEU 87 1HD2 LEU 87 -19.244 2.908 13.798 744 2HD2 LEU 87 2HD2 LEU 87 -20.529 1.877 13.169 745 3HD2 LEU 87 3HD2 LEU 87 -19.720 3.026 12.105 746 H ILE 88 H ILE 88 -16.795 2.372 8.223 747 HA ILE 88 HA ILE 88 -15.679 4.129 7.275 748 HB ILE 88 HB ILE 88 -17.962 4.228 6.230 749 1HG1 ILE 88 2HG1 ILE 88 -16.854 7.009 6.400 750 2HG1 ILE 88 1HG1 ILE 88 -15.867 5.717 5.723 751 1HG2 ILE 88 1HG2 ILE 88 -19.299 6.297 6.871 752 2HG2 ILE 88 2HG2 ILE 88 -18.358 6.312 8.361 753 3HG2 ILE 88 3HG2 ILE 88 -19.375 4.924 7.976 754 1HD1 ILE 88 1HD1 ILE 88 -16.830 6.353 3.804 755 2HD1 ILE 88 2HD1 ILE 88 -18.213 7.086 4.616 756 3HD1 ILE 88 3HD1 ILE 88 -18.162 5.341 4.362 757 H ARG 89 H ARG 89 -15.785 4.149 10.236 758 HA ARG 89 HA ARG 89 -16.005 6.922 10.975 759 1HB ARG 89 2HB ARG 89 -15.062 4.480 12.481 760 2HB ARG 89 1HB ARG 89 -15.109 6.091 13.186 761 1HG ARG 89 2HG ARG 89 -17.643 5.560 12.015 762 2HG ARG 89 1HG ARG 89 -17.185 4.176 13.011 763 1HD ARG 89 2HD ARG 89 -16.594 5.905 14.807 764 2HD ARG 89 1HD ARG 89 -17.504 7.049 13.821 765 HE ARG 89 HE ARG 89 -18.566 4.948 15.467 766 1HH1 ARG 89 1HH1 ARG 89 -19.167 6.975 12.689 767 2HH1 ARG 89 2HH1 ARG 89 -20.889 6.831 12.800 768 1HH2 ARG 89 1HH2 ARG 89 -20.830 4.758 15.615 769 2HH2 ARG 89 2HH2 ARG 89 -21.835 5.573 14.463 770 H ASN 90 H ASN 90 -14.497 8.277 10.222 771 HA ASN 90 HA ASN 90 -11.708 7.720 10.859 772 1HB ASN 90 2HB ASN 90 -12.789 7.618 8.181 773 2HB ASN 90 1HB ASN 90 -11.594 8.904 8.310 774 1HD2 ASN 90 1HD2 ASN 90 -12.129 5.482 8.986 775 2HD2 ASN 90 2HD2 ASN 90 -10.485 4.998 8.761 776 H GLY 91 H GLY 91 -10.326 9.688 10.507 777 1HA GLY 91 2HA GLY 91 -10.996 12.227 9.982 778 2HA GLY 91 1HA GLY 91 -11.755 11.994 11.550 779 H LEU 92 H LEU 92 -9.874 13.933 11.282 780 HA LEU 92 HA LEU 92 -7.971 14.746 12.225 781 1HB LEU 92 2HB LEU 92 -9.059 13.166 14.100 782 2HB LEU 92 1HB LEU 92 -7.544 12.314 13.868 783 HG LEU 92 HG LEU 92 -7.317 13.847 15.711 784 1HD1 LEU 92 1HD1 LEU 92 -5.316 13.593 14.470 785 2HD1 LEU 92 2HD1 LEU 92 -5.476 15.314 14.821 786 3HD1 LEU 92 3HD1 LEU 92 -5.871 14.700 13.216 787 1HD2 LEU 92 1HD2 LEU 92 -9.135 15.386 14.960 788 2HD2 LEU 92 2HD2 LEU 92 -7.996 16.081 13.807 789 3HD2 LEU 92 3HD2 LEU 92 -7.682 16.200 15.538 790 H LYS 93 H LYS 93 -6.967 14.409 10.123 791 HA LYS 93 HA LYS 93 -4.622 12.710 10.366 792 1HB LYS 93 2HB LYS 93 -6.650 11.559 9.106 793 2HB LYS 93 1HB LYS 93 -6.073 12.534 7.764 794 1HG LYS 93 2HG LYS 93 -4.992 10.497 7.488 795 2HG LYS 93 1HG LYS 93 -3.777 11.517 8.259 796 1HD LYS 93 2HD LYS 93 -4.687 10.531 10.467 797 2HD LYS 93 1HD LYS 93 -5.395 9.286 9.437 798 1HE LYS 93 2HE LYS 93 -3.253 8.630 8.628 799 2HE LYS 93 1HE LYS 93 -2.476 10.023 9.379 800 1HZ LYS 93 1HZ LYS 93 -2.522 7.610 10.477 801 2HZ LYS 93 2HZ LYS 93 -3.928 8.250 11.166 802 3HZ LYS 93 3HZ LYS 93 -2.447 9.036 11.387 803 H GLN 94 H GLN 94 -4.357 15.277 10.629 804 HA GLN 94 HA GLN 94 -4.100 16.724 8.170 805 1HB GLN 94 2HB GLN 94 -3.003 17.359 10.915 806 2HB GLN 94 1HB GLN 94 -3.077 18.474 9.558 807 1HG GLN 94 2HG GLN 94 -5.519 18.333 9.578 808 2HG GLN 94 1HG GLN 94 -5.437 17.232 10.953 809 1HE2 GLN 94 1HE2 GLN 94 -6.826 19.666 10.957 810 2HE2 GLN 94 2HE2 GLN 94 -6.073 20.720 12.101 811 H LYS 95 H LYS 95 -2.784 14.915 7.200 812 HA LYS 95 HA LYS 95 -0.815 14.163 6.349 813 1HB LYS 95 2HB LYS 95 -0.499 16.948 6.779 814 2HB LYS 95 1HB LYS 95 1.009 16.182 7.255 815 1HG LYS 95 2HG LYS 95 0.500 14.922 4.906 816 2HG LYS 95 1HG LYS 95 -0.181 16.523 4.600 817 1HD LYS 95 2HD LYS 95 1.987 16.879 3.956 818 2HD LYS 95 1HD LYS 95 2.098 17.318 5.662 819 1HE LYS 95 2HE LYS 95 2.864 15.023 6.163 820 2HE LYS 95 1HE LYS 95 2.832 14.660 4.439 821 1HZ LYS 95 1HZ LYS 95 4.442 16.510 4.138 822 2HZ LYS 95 2HZ LYS 95 5.050 15.211 5.037 823 3HZ LYS 95 3HZ LYS 95 4.566 16.630 5.821 824 H GLU 96 H GLU 96 -0.963 12.478 7.987 825 HA GLU 96 HA GLU 96 -0.208 11.211 9.729 826 1HB GLU 96 2HB GLU 96 2.178 10.876 9.756 827 2HB GLU 96 1HB GLU 96 1.656 11.101 8.093 828 1HG GLU 96 2HG GLU 96 2.526 13.303 8.023 829 2HG GLU 96 1HG GLU 96 2.795 13.322 9.764 830 H ALA 97 H ALA 97 -1.042 13.950 10.432 831 HA ALA 97 HA ALA 97 -1.034 15.389 12.192 832 1HB ALA 97 1HB ALA 97 -1.723 13.881 13.713 833 2HB ALA 97 2HB ALA 97 -0.100 14.096 14.367 834 3HB ALA 97 3HB ALA 97 -0.450 12.730 13.309 835 H LYS 98 H LYS 98 1.755 13.654 13.473 836 HA LYS 98 HA LYS 98 3.586 15.729 12.589 837 1HB LYS 98 2HB LYS 98 2.736 15.338 15.435 838 2HB LYS 98 1HB LYS 98 4.377 15.860 15.085 839 1HG LYS 98 2HG LYS 98 3.692 17.946 14.839 840 2HG LYS 98 1HG LYS 98 2.578 17.455 13.562 841 1HD LYS 98 2HD LYS 98 1.393 18.588 15.370 842 2HD LYS 98 1HD LYS 98 0.891 16.900 15.247 843 1HE LYS 98 2HE LYS 98 1.667 16.401 17.288 844 2HE LYS 98 1HE LYS 98 3.149 17.326 17.052 845 1HZ LYS 98 1HZ LYS 98 1.526 19.333 17.322 846 2HZ LYS 98 2HZ LYS 98 2.128 18.532 18.684 847 3HZ LYS 98 3HZ LYS 98 0.566 18.200 18.134 Start of MODEL 4 1 1H MET 1 H MET 1 17.103 -3.425 3.918 2 HA MET 1 HA MET 1 17.415 -2.214 1.258 3 1HB MET 1 2HB MET 1 15.086 -3.454 2.705 4 2HB MET 1 1HB MET 1 14.805 -2.326 1.389 5 1HG MET 1 2HG MET 1 14.747 -4.337 0.298 6 2HG MET 1 1HG MET 1 16.430 -3.864 0.075 7 1HE MET 1 1HE MET 1 17.669 -6.754 0.014 8 2HE MET 1 2HE MET 1 18.529 -6.265 1.472 9 3HE MET 1 3HE MET 1 18.098 -5.061 0.260 10 H ASP 2 H ASP 2 16.376 -0.026 0.887 11 HA ASP 2 HA ASP 2 15.740 1.356 3.421 12 1HB ASP 2 2HB ASP 2 17.639 2.430 1.338 13 2HB ASP 2 1HB ASP 2 17.069 3.315 2.744 14 H LEU 3 H LEU 3 13.706 1.955 3.141 15 HA LEU 3 HA LEU 3 12.833 2.629 0.471 16 1HB LEU 3 2HB LEU 3 11.696 1.274 2.503 17 2HB LEU 3 1HB LEU 3 10.952 2.830 2.728 18 HG LEU 3 HG LEU 3 9.894 0.862 1.267 19 1HD1 LEU 3 1HD1 LEU 3 8.454 2.518 0.257 20 2HD1 LEU 3 2HD1 LEU 3 9.620 3.784 0.643 21 3HD1 LEU 3 3HD1 LEU 3 8.799 2.912 1.939 22 1HD2 LEU 3 1HD2 LEU 3 11.898 1.192 -0.361 23 2HD2 LEU 3 2HD2 LEU 3 10.942 2.560 -0.933 24 3HD2 LEU 3 3HD2 LEU 3 10.274 0.937 -0.988 25 H ILE 4 H ILE 4 13.002 4.680 -0.227 26 HA ILE 4 HA ILE 4 12.648 6.797 1.799 27 HB ILE 4 HB ILE 4 13.138 8.405 -0.058 28 1HG1 ILE 4 2HG1 ILE 4 13.704 5.870 -1.414 29 2HG1 ILE 4 1HG1 ILE 4 13.418 7.465 -2.091 30 1HG2 ILE 4 1HG2 ILE 4 14.607 8.014 1.868 31 2HG2 ILE 4 2HG2 ILE 4 15.556 8.343 0.418 32 3HG2 ILE 4 3HG2 ILE 4 15.402 6.691 1.017 33 1HD1 ILE 4 1HD1 ILE 4 15.545 7.027 -2.812 34 2HD1 ILE 4 2HD1 ILE 4 15.977 6.151 -1.345 35 3HD1 ILE 4 3HD1 ILE 4 15.871 7.910 -1.321 36 H ILE 5 H ILE 5 10.940 7.817 1.862 37 HA ILE 5 HA ILE 5 8.913 7.180 -0.107 38 HB ILE 5 HB ILE 5 9.054 7.844 2.787 39 1HG1 ILE 5 2HG1 ILE 5 7.515 5.763 2.744 40 2HG1 ILE 5 1HG1 ILE 5 8.076 5.583 1.084 41 1HG2 ILE 5 1HG2 ILE 5 6.481 7.672 2.599 42 2HG2 ILE 5 2HG2 ILE 5 6.797 8.302 0.986 43 3HG2 ILE 5 3HG2 ILE 5 7.331 9.203 2.400 44 1HD1 ILE 5 1HD1 ILE 5 10.292 5.262 1.743 45 2HD1 ILE 5 2HD1 ILE 5 9.347 4.324 2.893 46 3HD1 ILE 5 3HD1 ILE 5 9.996 5.892 3.361 47 H LYS 6 H LYS 6 7.631 8.509 -1.061 48 HA LYS 6 HA LYS 6 7.399 11.340 -0.389 49 1HB LYS 6 2HB LYS 6 8.767 10.451 -2.748 50 2HB LYS 6 1HB LYS 6 7.210 11.101 -3.243 51 1HG LYS 6 2HG LYS 6 7.992 13.035 -1.559 52 2HG LYS 6 1HG LYS 6 9.565 12.465 -2.119 53 1HD LYS 6 2HD LYS 6 9.074 14.076 -3.694 54 2HD LYS 6 1HD LYS 6 8.460 12.620 -4.480 55 1HE LYS 6 2HE LYS 6 6.914 14.573 -4.591 56 2HE LYS 6 1HE LYS 6 6.216 13.138 -3.841 57 1HZ LYS 6 1HZ LYS 6 6.004 15.511 -2.758 58 2HZ LYS 6 2HZ LYS 6 7.501 15.092 -2.091 59 3HZ LYS 6 3HZ LYS 6 6.147 14.117 -1.812 60 H GLU 7 H GLU 7 5.956 9.496 0.489 61 HA GLU 7 HA GLU 7 3.866 8.455 -1.094 62 1HB GLU 7 2HB GLU 7 4.571 8.334 1.800 63 2HB GLU 7 1HB GLU 7 3.187 7.492 1.128 64 1HG GLU 7 2HG GLU 7 5.705 6.408 1.345 65 2HG GLU 7 1HG GLU 7 4.481 5.843 0.241 66 H LYS 8 H LYS 8 1.725 8.901 -1.361 67 HA LYS 8 HA LYS 8 0.632 11.014 0.314 68 1HB LYS 8 2HB LYS 8 0.629 10.872 -2.690 69 2HB LYS 8 1HB LYS 8 -0.612 11.767 -1.820 70 1HG LYS 8 2HG LYS 8 0.846 13.393 -1.130 71 2HG LYS 8 1HG LYS 8 2.249 12.325 -1.216 72 1HD LYS 8 2HD LYS 8 2.334 13.992 -2.986 73 2HD LYS 8 1HD LYS 8 2.126 12.377 -3.666 74 1HE LYS 8 2HE LYS 8 -0.452 13.112 -3.392 75 2HE LYS 8 1HE LYS 8 0.291 14.690 -3.657 76 1HZ LYS 8 1HZ LYS 8 0.461 12.322 -5.440 77 2HZ LYS 8 2HZ LYS 8 1.338 13.749 -5.672 78 3HZ LYS 8 3HZ LYS 8 -0.351 13.775 -5.751 79 H ARG 9 H ARG 9 -1.438 10.488 1.043 80 HA ARG 9 HA ARG 9 -2.687 8.163 -0.272 81 1HB ARG 9 2HB ARG 9 -3.511 7.502 2.014 82 2HB ARG 9 1HB ARG 9 -1.781 7.330 1.755 83 1HG ARG 9 2HG ARG 9 -1.806 8.288 3.824 84 2HG ARG 9 1HG ARG 9 -1.695 9.726 2.809 85 1HD ARG 9 2HD ARG 9 -3.749 10.439 3.383 86 2HD ARG 9 1HD ARG 9 -4.430 8.815 3.347 87 HE ARG 9 HE ARG 9 -2.928 8.776 5.582 88 1HH1 ARG 9 1HH1 ARG 9 -5.356 10.996 4.410 89 2HH1 ARG 9 2HH1 ARG 9 -5.875 11.460 5.995 90 1HH2 ARG 9 1HH2 ARG 9 -3.611 9.386 7.666 91 2HH2 ARG 9 2HH2 ARG 9 -4.886 10.547 7.843 92 H ASP 10 H ASP 10 -4.752 8.207 -0.721 93 HA ASP 10 HA ASP 10 -6.383 10.396 0.370 94 1HB ASP 10 2HB ASP 10 -5.630 10.420 -2.186 95 2HB ASP 10 1HB ASP 10 -6.984 9.304 -2.344 96 H ASN 11 H ASN 11 -7.918 9.545 1.637 97 HA ASN 11 HA ASN 11 -8.815 6.855 0.900 98 1HB ASN 11 2HB ASN 11 -8.771 8.292 3.553 99 2HB ASN 11 1HB ASN 11 -9.626 6.773 3.305 100 1HD2 ASN 11 1HD2 ASN 11 -7.622 7.001 5.161 101 2HD2 ASN 11 2HD2 ASN 11 -6.256 6.073 4.654 102 HA PRO 12 HA PRO 12 -12.819 8.900 0.418 103 1HB PRO 12 2HB PRO 12 -13.418 7.811 -1.923 104 2HB PRO 12 1HB PRO 12 -12.063 8.941 -1.825 105 1HG PRO 12 2HG PRO 12 -12.025 6.002 -2.159 106 2HG PRO 12 1HG PRO 12 -10.811 7.201 -2.631 107 1HD PRO 12 2HD PRO 12 -10.935 5.599 -0.209 108 2HD PRO 12 1HD PRO 12 -9.627 6.654 -0.769 109 H ILE 13 H ILE 13 -13.951 6.312 -1.330 110 HA ILE 13 HA ILE 13 -15.564 5.298 0.792 111 HB ILE 13 HB ILE 13 -16.525 3.848 -0.836 112 1HG1 ILE 13 2HG1 ILE 13 -14.015 4.366 -2.446 113 2HG1 ILE 13 1HG1 ILE 13 -14.537 2.838 -1.754 114 1HG2 ILE 13 1HG2 ILE 13 -17.104 5.345 -2.650 115 2HG2 ILE 13 2HG2 ILE 13 -15.703 6.355 -2.295 116 3HG2 ILE 13 3HG2 ILE 13 -17.025 6.240 -1.133 117 1HD1 ILE 13 1HD1 ILE 13 -16.110 4.248 -3.874 118 2HD1 ILE 13 2HD1 ILE 13 -16.211 2.564 -3.359 119 3HD1 ILE 13 3HD1 ILE 13 -14.795 3.133 -4.243 120 H LEU 14 H LEU 14 -12.779 4.150 -1.034 121 HA LEU 14 HA LEU 14 -12.602 1.805 0.692 122 1HB LEU 14 2HB LEU 14 -11.524 0.649 -1.030 123 2HB LEU 14 1HB LEU 14 -12.880 1.488 -1.748 124 HG LEU 14 HG LEU 14 -11.335 1.914 -3.343 125 1HD1 LEU 14 1HD1 LEU 14 -10.804 4.079 -1.326 126 2HD1 LEU 14 2HD1 LEU 14 -11.908 4.112 -2.697 127 3HD1 LEU 14 3HD1 LEU 14 -10.167 4.105 -2.967 128 1HD2 LEU 14 1HD2 LEU 14 -9.049 2.244 -1.440 129 2HD2 LEU 14 2HD2 LEU 14 -9.036 1.723 -3.125 130 3HD2 LEU 14 3HD2 LEU 14 -9.624 0.634 -1.868 131 H LYS 15 H LYS 15 -11.292 4.642 1.101 132 HA LYS 15 HA LYS 15 -9.293 5.419 1.886 133 1HB LYS 15 2HB LYS 15 -8.379 4.071 3.698 134 2HB LYS 15 1HB LYS 15 -10.132 4.119 3.719 135 1HG LYS 15 2HG LYS 15 -8.793 1.828 2.388 136 2HG LYS 15 1HG LYS 15 -8.849 1.893 4.148 137 1HD LYS 15 2HD LYS 15 -11.422 2.540 2.994 138 2HD LYS 15 1HD LYS 15 -10.851 0.962 2.449 139 1HE LYS 15 2HE LYS 15 -12.221 0.927 4.549 140 2HE LYS 15 1HE LYS 15 -10.631 0.176 4.685 141 1HZ LYS 15 1HZ LYS 15 -11.086 2.994 5.458 142 2HZ LYS 15 2HZ LYS 15 -9.810 1.973 5.899 143 3HZ LYS 15 3HZ LYS 15 -11.354 1.722 6.542 144 H ARG 16 H ARG 16 -8.613 5.003 -0.655 145 HA ARG 16 HA ARG 16 -6.357 3.116 -0.702 146 1HB ARG 16 2HB ARG 16 -8.304 3.699 -2.565 147 2HB ARG 16 1HB ARG 16 -6.913 4.584 -3.169 148 1HG ARG 16 2HG ARG 16 -5.596 2.465 -2.998 149 2HG ARG 16 1HG ARG 16 -7.107 1.632 -2.628 150 1HD ARG 16 2HD ARG 16 -8.037 2.268 -4.753 151 2HD ARG 16 1HD ARG 16 -6.638 3.278 -5.109 152 HE ARG 16 HE ARG 16 -5.561 0.819 -4.754 153 1HH1 ARG 16 1HH1 ARG 16 -8.159 2.033 -6.745 154 2HH1 ARG 16 2HH1 ARG 16 -7.912 0.861 -7.996 155 1HH2 ARG 16 1HH2 ARG 16 -5.236 -0.722 -6.401 156 2HH2 ARG 16 2HH2 ARG 16 -6.254 -0.702 -7.801 157 H LYS 17 H LYS 17 -4.248 3.761 -1.537 158 HA LYS 17 HA LYS 17 -3.857 6.670 -1.497 159 1HB LYS 17 2HB LYS 17 -1.998 6.584 -0.021 160 2HB LYS 17 1HB LYS 17 -3.370 5.800 0.744 161 1HG LYS 17 2HG LYS 17 -1.549 4.457 1.261 162 2HG LYS 17 1HG LYS 17 -2.348 3.616 -0.069 163 1HD LYS 17 2HD LYS 17 -0.372 5.517 -1.013 164 2HD LYS 17 1HD LYS 17 0.334 4.327 0.085 165 1HE LYS 17 2HE LYS 17 0.242 2.755 -1.488 166 2HE LYS 17 1HE LYS 17 -1.476 3.051 -1.713 167 1HZ LYS 17 1HZ LYS 17 -0.044 5.101 -2.907 168 2HZ LYS 17 2HZ LYS 17 -1.040 3.963 -3.642 169 3HZ LYS 17 3HZ LYS 17 0.601 3.645 -3.441 170 H GLU 18 H GLU 18 -1.844 7.491 -2.400 171 HA GLU 18 HA GLU 18 -0.620 5.710 -4.409 172 1HB GLU 18 2HB GLU 18 -2.463 7.398 -5.214 173 2HB GLU 18 1HB GLU 18 -1.160 8.565 -5.043 174 1HG GLU 18 2HG GLU 18 0.029 7.710 -6.781 175 2HG GLU 18 1HG GLU 18 -0.608 6.080 -6.555 176 H ILE 19 H ILE 19 1.386 5.624 -3.687 177 HA ILE 19 HA ILE 19 2.689 8.125 -2.939 178 HB ILE 19 HB ILE 19 3.673 7.199 -1.046 179 1HG1 ILE 19 2HG1 ILE 19 4.311 5.040 -1.750 180 2HG1 ILE 19 1HG1 ILE 19 3.285 4.860 -0.331 181 1HG2 ILE 19 1HG2 ILE 19 0.832 7.103 -1.316 182 2HG2 ILE 19 2HG2 ILE 19 1.797 7.611 0.061 183 3HG2 ILE 19 3HG2 ILE 19 1.378 5.920 -0.139 184 1HD1 ILE 19 1HD1 ILE 19 2.755 4.157 -3.129 185 2HD1 ILE 19 2HD1 ILE 19 1.429 4.736 -2.139 186 3HD1 ILE 19 3HD1 ILE 19 2.330 3.321 -1.636 187 H LYS 20 H LYS 20 4.910 8.275 -3.256 188 HA LYS 20 HA LYS 20 5.894 6.418 -5.338 189 1HB LYS 20 2HB LYS 20 6.997 8.186 -6.237 190 2HB LYS 20 1HB LYS 20 5.867 9.144 -5.279 191 1HG LYS 20 2HG LYS 20 7.850 10.063 -4.649 192 2HG LYS 20 1HG LYS 20 7.654 8.832 -3.406 193 1HD LYS 20 2HD LYS 20 9.377 7.597 -4.172 194 2HD LYS 20 1HD LYS 20 8.999 7.929 -5.863 195 1HE LYS 20 2HE LYS 20 10.338 9.863 -3.970 196 2HE LYS 20 1HE LYS 20 11.178 8.868 -5.158 197 1HZ LYS 20 1HZ LYS 20 9.012 10.470 -6.216 198 2HZ LYS 20 2HZ LYS 20 10.565 10.205 -6.833 199 3HZ LYS 20 3HZ LYS 20 10.322 11.358 -5.619 200 H TYR 21 H TYR 21 7.560 5.019 -4.832 201 HA TYR 21 HA TYR 21 9.052 5.587 -2.366 202 1HB TYR 21 2HB TYR 21 8.371 3.622 -1.358 203 2HB TYR 21 1HB TYR 21 6.970 4.039 -2.286 204 HD1 TYR 21 1HD TYR 21 7.741 3.180 -4.999 205 HD2 TYR 21 2HD TYR 21 8.317 1.279 -1.242 206 HE1 TYR 21 1HE TYR 21 7.766 0.999 -6.122 207 HE2 TYR 21 2HE TYR 21 8.345 -0.913 -2.354 208 HH TYR 21 HH TYR 21 7.418 -1.329 -5.632 209 H VAL 22 H VAL 22 11.054 4.715 -2.053 210 HA VAL 22 HA VAL 22 12.282 3.192 -4.294 211 HB VAL 22 HB VAL 22 13.279 5.770 -3.288 212 1HG1 VAL 22 1HG1 VAL 22 15.696 5.086 -3.362 213 2HG1 VAL 22 2HG1 VAL 22 15.177 3.403 -3.371 214 3HG1 VAL 22 3HG1 VAL 22 14.833 4.422 -1.973 215 1HG2 VAL 22 1HG2 VAL 22 14.801 5.394 -5.341 216 2HG2 VAL 22 2HG2 VAL 22 13.073 5.625 -5.593 217 3HG2 VAL 22 3HG2 VAL 22 13.766 4.008 -5.652 218 H LEU 23 H LEU 23 13.550 1.468 -3.624 219 HA LEU 23 HA LEU 23 13.948 1.165 -0.770 220 1HB LEU 23 2HB LEU 23 12.314 -0.468 -1.696 221 2HB LEU 23 1HB LEU 23 13.482 -0.962 -2.903 222 HG LEU 23 HG LEU 23 14.744 -1.339 -0.399 223 1HD1 LEU 23 1HD1 LEU 23 13.054 -1.635 1.039 224 2HD1 LEU 23 2HD1 LEU 23 12.796 -3.165 0.204 225 3HD1 LEU 23 3HD1 LEU 23 11.855 -1.743 -0.247 226 1HD2 LEU 23 1HD2 LEU 23 15.326 -3.221 -1.440 227 2HD2 LEU 23 2HD2 LEU 23 14.278 -2.747 -2.776 228 3HD2 LEU 23 3HD2 LEU 23 13.653 -3.776 -1.488 229 H LYS 24 H LYS 24 16.076 1.224 -0.306 230 HA LYS 24 HA LYS 24 17.957 0.827 -2.517 231 1HB LYS 24 2HB LYS 24 18.709 1.822 0.222 232 2HB LYS 24 1HB LYS 24 19.525 2.116 -1.298 233 1HG LYS 24 2HG LYS 24 17.955 3.722 -1.965 234 2HG LYS 24 1HG LYS 24 16.784 3.198 -0.758 235 1HD LYS 24 2HD LYS 24 17.844 4.302 0.949 236 2HD LYS 24 1HD LYS 24 19.427 4.195 0.177 237 1HE LYS 24 2HE LYS 24 17.934 5.744 -1.563 238 2HE LYS 24 1HE LYS 24 17.414 6.281 0.033 239 1HZ LYS 24 1HZ LYS 24 19.628 6.823 0.617 240 2HZ LYS 24 2HZ LYS 24 19.365 7.488 -0.917 241 3HZ LYS 24 3HZ LYS 24 20.265 6.065 -0.756 242 H PHE 25 H PHE 25 18.897 -1.043 -2.655 243 HA PHE 25 HA PHE 25 18.977 -2.684 -0.231 244 1HB PHE 25 2HB PHE 25 19.294 -4.418 -2.285 245 2HB PHE 25 1HB PHE 25 17.770 -4.056 -1.527 246 HD1 PHE 25 1HD PHE 25 19.580 -4.183 -4.548 247 HD2 PHE 25 2HD PHE 25 16.432 -2.094 -2.592 248 HE1 PHE 25 1HE PHE 25 18.716 -3.453 -6.730 249 HE2 PHE 25 2HE PHE 25 15.558 -1.367 -4.771 250 HZ PHE 25 HZ PHE 25 16.704 -2.044 -6.846 251 H ASP 26 H ASP 26 20.774 -3.481 0.515 252 HA ASP 26 HA ASP 26 23.256 -2.833 -0.934 253 1HB ASP 26 2HB ASP 26 24.394 -2.935 1.199 254 2HB ASP 26 1HB ASP 26 22.986 -1.889 1.350 255 H SER 27 H SER 27 24.965 -4.361 -1.050 256 HA SER 27 HA SER 27 25.851 -6.409 -1.480 257 1HB SER 27 2HB SER 27 24.854 -6.551 1.075 258 2HB SER 27 1HB SER 27 24.078 -7.933 0.301 259 HG SER 27 HG SER 27 26.294 -8.434 -0.468 260 H SER 28 H SER 28 25.198 -8.771 -2.078 261 HA SER 28 HA SER 28 22.949 -8.551 -3.940 262 1HB SER 28 2HB SER 28 25.458 -9.374 -4.436 263 2HB SER 28 1HB SER 28 24.736 -10.925 -4.000 264 HG SER 28 HG SER 28 23.034 -10.287 -5.573 265 H ARG 29 H ARG 29 22.373 -8.924 -1.187 266 HA ARG 29 HA ARG 29 21.703 -11.727 -0.850 267 1HB ARG 29 2HB ARG 29 22.303 -9.673 0.908 268 2HB ARG 29 1HB ARG 29 20.568 -9.874 1.100 269 1HG ARG 29 2HG ARG 29 21.507 -12.464 1.120 270 2HG ARG 29 1HG ARG 29 22.753 -11.567 1.990 271 1HD ARG 29 2HD ARG 29 20.851 -10.533 3.327 272 2HD ARG 29 1HD ARG 29 19.818 -11.773 2.617 273 HE ARG 29 HE ARG 29 20.786 -13.330 3.994 274 1HH1 ARG 29 1HH1 ARG 29 22.712 -10.419 4.032 275 2HH1 ARG 29 2HH1 ARG 29 23.717 -10.951 5.337 276 1HH2 ARG 29 1HH2 ARG 29 22.111 -14.033 5.711 277 2HH2 ARG 29 2HH2 ARG 29 23.379 -13.003 6.288 278 H THR 30 H THR 30 19.564 -12.494 -0.513 279 HA THR 30 HA THR 30 17.669 -11.436 -2.334 280 HB THR 30 HB THR 30 17.287 -13.494 -0.151 281 HG1 THR 30 1HG THR 30 18.749 -14.358 -1.478 282 1HG2 THR 30 1HG2 THR 30 15.681 -14.094 -2.349 283 2HG2 THR 30 2HG2 THR 30 15.424 -12.381 -2.023 284 3HG2 THR 30 3HG2 THR 30 15.163 -13.570 -0.747 285 HA PRO 31 HA PRO 31 16.035 -8.176 0.289 286 1HB PRO 31 2HB PRO 31 13.723 -8.541 -1.557 287 2HB PRO 31 1HB PRO 31 14.562 -7.058 -1.085 288 1HG PRO 31 2HG PRO 31 14.968 -8.143 -3.481 289 2HG PRO 31 1HG PRO 31 16.304 -7.413 -2.572 290 1HD PRO 31 2HD PRO 31 15.658 -10.291 -3.009 291 2HD PRO 31 1HD PRO 31 17.239 -9.495 -2.876 292 H SER 32 H SER 32 14.769 -8.217 2.083 293 HA SER 32 HA SER 32 13.516 -10.672 2.833 294 1HB SER 32 2HB SER 32 14.557 -8.499 4.178 295 2HB SER 32 1HB SER 32 12.824 -8.301 4.422 296 HG SER 32 HG SER 32 12.736 -10.185 5.488 297 H ARG 33 H ARG 33 11.267 -10.984 3.356 298 HA ARG 33 HA ARG 33 9.499 -9.816 1.438 299 1HB ARG 33 2HB ARG 33 9.489 -12.183 2.651 300 2HB ARG 33 1HB ARG 33 8.436 -11.330 3.772 301 1HG ARG 33 2HG ARG 33 7.671 -10.837 1.030 302 2HG ARG 33 1HG ARG 33 7.704 -12.563 1.398 303 1HD ARG 33 2HD ARG 33 6.326 -10.546 3.155 304 2HD ARG 33 1HD ARG 33 5.513 -11.355 1.816 305 HE ARG 33 HE ARG 33 6.721 -13.285 3.462 306 1HH1 ARG 33 1HH1 ARG 33 4.080 -11.004 3.499 307 2HH1 ARG 33 2HH1 ARG 33 3.125 -11.937 4.604 308 1HH2 ARG 33 1HH2 ARG 33 5.468 -14.512 4.915 309 2HH2 ARG 33 2HH2 ARG 33 3.913 -13.929 5.407 310 H GLU 34 H GLU 34 9.743 -9.663 4.964 311 HA GLU 34 HA GLU 34 7.646 -7.733 5.262 312 1HB GLU 34 2HB GLU 34 8.823 -9.493 6.944 313 2HB GLU 34 1HB GLU 34 9.656 -8.019 7.411 314 1HG GLU 34 2HG GLU 34 7.543 -6.936 7.874 315 2HG GLU 34 1HG GLU 34 6.668 -8.364 7.325 316 H GLU 35 H GLU 35 11.185 -7.588 5.239 317 HA GLU 35 HA GLU 35 11.486 -4.961 6.069 318 1HB GLU 35 2HB GLU 35 13.257 -6.796 5.616 319 2HB GLU 35 1HB GLU 35 13.284 -6.145 3.982 320 1HG GLU 35 2HG GLU 35 14.951 -4.910 4.880 321 2HG GLU 35 1HG GLU 35 13.590 -3.867 5.295 322 H ILE 36 H ILE 36 11.272 -6.124 2.668 323 HA ILE 36 HA ILE 36 11.267 -3.425 1.700 324 HB ILE 36 HB ILE 36 12.116 -5.254 0.307 325 1HG1 ILE 36 2HG1 ILE 36 10.600 -3.091 -0.491 326 2HG1 ILE 36 1HG1 ILE 36 11.629 -4.063 -1.533 327 1HG2 ILE 36 1HG2 ILE 36 9.291 -6.169 -0.122 328 2HG2 ILE 36 2HG2 ILE 36 10.347 -6.890 1.084 329 3HG2 ILE 36 3HG2 ILE 36 10.789 -6.951 -0.621 330 1HD1 ILE 36 1HD1 ILE 36 9.765 -5.361 -2.264 331 2HD1 ILE 36 2HD1 ILE 36 9.344 -3.654 -2.412 332 3HD1 ILE 36 3HD1 ILE 36 8.708 -4.607 -1.071 333 H LYS 37 H LYS 37 8.801 -5.945 1.791 334 HA LYS 37 HA LYS 37 6.636 -4.422 0.909 335 1HB LYS 37 2HB LYS 37 6.746 -6.934 1.160 336 2HB LYS 37 1HB LYS 37 6.418 -6.689 2.868 337 1HG LYS 37 2HG LYS 37 4.253 -6.668 2.431 338 2HG LYS 37 1HG LYS 37 4.478 -5.222 1.445 339 1HD LYS 37 2HD LYS 37 5.161 -7.836 0.218 340 2HD LYS 37 1HD LYS 37 3.451 -7.475 0.461 341 1HE LYS 37 2HE LYS 37 3.428 -6.027 -1.233 342 2HE LYS 37 1HE LYS 37 4.881 -5.216 -0.652 343 1HZ LYS 37 1HZ LYS 37 4.792 -6.563 -2.927 344 2HZ LYS 37 2HZ LYS 37 5.257 -7.822 -1.896 345 3HZ LYS 37 3HZ LYS 37 6.203 -6.424 -2.003 346 H GLU 38 H GLU 38 7.433 -5.118 4.307 347 HA GLU 38 HA GLU 38 5.326 -3.419 5.138 348 1HB GLU 38 2HB GLU 38 5.743 -4.201 7.168 349 2HB GLU 38 1HB GLU 38 6.802 -5.325 6.344 350 1HG GLU 38 2HG GLU 38 8.729 -3.970 6.853 351 2HG GLU 38 1HG GLU 38 7.711 -2.707 7.532 352 H LEU 39 H LEU 39 8.890 -2.928 5.133 353 HA LEU 39 HA LEU 39 8.742 -0.294 6.012 354 1HB LEU 39 2HB LEU 39 10.920 -0.577 6.022 355 2HB LEU 39 1HB LEU 39 10.762 -2.020 5.058 356 HG LEU 39 HG LEU 39 10.774 0.639 3.723 357 1HD1 LEU 39 1HD1 LEU 39 13.357 -0.030 3.519 358 2HD1 LEU 39 2HD1 LEU 39 13.024 -0.649 5.137 359 3HD1 LEU 39 3HD1 LEU 39 12.737 1.052 4.767 360 1HD2 LEU 39 1HD2 LEU 39 12.088 -1.864 2.763 361 2HD2 LEU 39 2HD2 LEU 39 11.391 -0.537 1.834 362 3HD2 LEU 39 3HD2 LEU 39 10.337 -1.689 2.650 363 H ILE 40 H ILE 40 8.049 -1.609 2.847 364 HA ILE 40 HA ILE 40 8.043 0.990 1.629 365 HB ILE 40 HB ILE 40 7.151 0.035 -0.353 366 1HG1 ILE 40 2HG1 ILE 40 6.922 -2.532 1.193 367 2HG1 ILE 40 1HG1 ILE 40 5.589 -1.585 0.546 368 1HG2 ILE 40 1HG2 ILE 40 9.546 -0.932 0.962 369 2HG2 ILE 40 2HG2 ILE 40 9.313 -0.322 -0.672 370 3HG2 ILE 40 3HG2 ILE 40 8.979 -2.010 -0.311 371 1HD1 ILE 40 1HD1 ILE 40 6.300 -2.033 -1.696 372 2HD1 ILE 40 2HD1 ILE 40 6.166 -3.560 -0.821 373 3HD1 ILE 40 3HD1 ILE 40 7.751 -2.847 -1.115 374 H ALA 41 H ALA 41 5.391 -1.248 2.569 375 HA ALA 41 HA ALA 41 3.352 0.629 1.915 376 1HB ALA 41 1HB ALA 41 2.322 -0.997 3.926 377 2HB ALA 41 2HB ALA 41 3.464 -1.996 3.039 378 3HB ALA 41 3HB ALA 41 2.141 -1.202 2.186 379 H LYS 42 H LYS 42 4.766 -0.333 4.959 380 HA LYS 42 HA LYS 42 3.223 1.185 6.654 381 1HB LYS 42 2HB LYS 42 6.133 0.452 7.003 382 2HB LYS 42 1HB LYS 42 4.954 0.757 8.279 383 1HG LYS 42 2HG LYS 42 3.613 -1.172 7.219 384 2HG LYS 42 1HG LYS 42 5.117 -1.607 6.389 385 1HD LYS 42 2HD LYS 42 6.189 -2.097 8.422 386 2HD LYS 42 1HD LYS 42 5.004 -1.205 9.377 387 1HE LYS 42 2HE LYS 42 3.776 -3.332 7.826 388 2HE LYS 42 1HE LYS 42 5.030 -3.945 8.904 389 1HZ LYS 42 1HZ LYS 42 3.673 -2.214 10.480 390 2HZ LYS 42 2HZ LYS 42 3.438 -3.889 10.446 391 3HZ LYS 42 3HZ LYS 42 2.435 -2.877 9.534 392 H HIS 43 H HIS 43 6.305 1.942 5.135 393 HA HIS 43 HA HIS 43 6.307 4.677 5.970 394 1HB HIS 43 2HB HIS 43 7.767 3.261 3.745 395 2HB HIS 43 1HB HIS 43 8.057 4.900 4.264 396 HD1 HIS 43 1HD HIS 43 7.596 3.723 7.381 397 HD2 HIS 43 2HD HIS 43 10.530 2.834 4.577 398 HE1 HIS 43 1HE HIS 43 9.540 2.826 8.703 399 HE2 HIS 43 2HE HIS 43 11.330 2.364 6.990 400 H GLU 44 H GLU 44 5.122 2.822 3.267 401 HA GLU 44 HA GLU 44 4.667 4.809 1.425 402 1HB GLU 44 2HB GLU 44 3.594 2.138 1.842 403 2HB GLU 44 1HB GLU 44 2.605 3.217 0.878 404 1HG GLU 44 2HG GLU 44 4.091 3.286 -0.826 405 2HG GLU 44 1HG GLU 44 5.483 3.118 0.219 406 H GLY 45 H GLY 45 3.358 4.443 4.426 407 1HA GLY 45 2HA GLY 45 2.064 6.243 5.346 408 2HA GLY 45 1HA GLY 45 1.316 6.443 3.758 409 H VAL 46 H VAL 46 1.954 3.247 4.864 410 HA VAL 46 HA VAL 46 -0.758 2.821 5.824 411 HB VAL 46 HB VAL 46 -0.865 0.960 3.956 412 1HG1 VAL 46 1HG1 VAL 46 -2.643 2.183 3.372 413 2HG1 VAL 46 2HG1 VAL 46 -1.623 3.479 2.760 414 3HG1 VAL 46 3HG1 VAL 46 -2.054 3.431 4.467 415 1HG2 VAL 46 1HG2 VAL 46 -0.034 2.406 1.842 416 2HG2 VAL 46 2HG2 VAL 46 0.989 1.203 2.627 417 3HG2 VAL 46 3HG2 VAL 46 1.180 2.909 3.014 418 H ASP 47 H ASP 47 -1.231 0.478 6.259 419 HA ASP 47 HA ASP 47 0.967 -0.683 7.728 420 1HB ASP 47 2HB ASP 47 -1.670 -2.028 7.345 421 2HB ASP 47 1HB ASP 47 -0.613 -2.046 8.754 422 H LYS 48 H LYS 48 0.760 -3.291 7.663 423 HA LYS 48 HA LYS 48 2.020 -4.093 5.254 424 1HB LYS 48 2HB LYS 48 2.018 -6.349 6.294 425 2HB LYS 48 1HB LYS 48 2.683 -5.095 7.332 426 1HG LYS 48 2HG LYS 48 -0.161 -5.446 7.744 427 2HG LYS 48 1HG LYS 48 0.740 -6.940 8.004 428 1HD LYS 48 2HD LYS 48 2.334 -5.414 9.387 429 2HD LYS 48 1HD LYS 48 0.949 -4.322 9.435 430 1HE LYS 48 2HE LYS 48 0.537 -5.534 11.322 431 2HE LYS 48 1HE LYS 48 -0.310 -6.537 10.145 432 1HZ LYS 48 1HZ LYS 48 2.502 -7.144 10.545 433 2HZ LYS 48 2HZ LYS 48 1.186 -8.188 10.345 434 3HZ LYS 48 3HZ LYS 48 1.484 -7.486 11.855 435 H GLU 49 H GLU 49 -1.274 -4.341 6.414 436 HA GLU 49 HA GLU 49 -2.089 -6.371 4.582 437 1HB GLU 49 2HB GLU 49 -3.561 -4.349 6.250 438 2HB GLU 49 1HB GLU 49 -4.420 -5.351 5.093 439 1HG GLU 49 2HG GLU 49 -4.487 -6.235 7.384 440 2HG GLU 49 1HG GLU 49 -3.749 -7.346 6.232 441 H LEU 50 H LEU 50 -2.095 -2.897 4.552 442 HA LEU 50 HA LEU 50 -3.388 -2.494 2.111 443 1HB LEU 50 2HB LEU 50 -1.688 -0.365 3.108 444 2HB LEU 50 1HB LEU 50 -3.385 -0.329 2.711 445 HG LEU 50 HG LEU 50 -2.074 -0.997 5.325 446 1HD1 LEU 50 1HD1 LEU 50 -3.960 1.038 4.273 447 2HD1 LEU 50 2HD1 LEU 50 -2.570 1.233 5.335 448 3HD1 LEU 50 3HD1 LEU 50 -4.079 0.576 5.969 449 1HD2 LEU 50 1HD2 LEU 50 -3.613 -2.497 5.860 450 2HD2 LEU 50 2HD2 LEU 50 -4.366 -2.337 4.277 451 3HD2 LEU 50 3HD2 LEU 50 -4.868 -1.290 5.604 452 H VAL 51 H VAL 51 -0.533 -3.999 2.232 453 HA VAL 51 HA VAL 51 0.829 -2.114 0.462 454 HB VAL 51 HB VAL 51 2.050 -4.758 0.915 455 1HG1 VAL 51 1HG1 VAL 51 3.929 -3.012 1.532 456 2HG1 VAL 51 2HG1 VAL 51 2.869 -1.925 0.639 457 3HG1 VAL 51 3HG1 VAL 51 3.503 -3.373 -0.139 458 1HG2 VAL 51 1HG2 VAL 51 1.502 -4.739 3.102 459 2HG2 VAL 51 2HG2 VAL 51 1.209 -3.004 3.142 460 3HG2 VAL 51 3HG2 VAL 51 2.857 -3.626 3.202 461 H ILE 52 H ILE 52 0.465 -2.110 -1.585 462 HA ILE 52 HA ILE 52 0.601 -4.609 -3.082 463 HB ILE 52 HB ILE 52 -1.779 -4.025 -3.033 464 1HG1 ILE 52 2HG1 ILE 52 -0.687 -5.083 -5.039 465 2HG1 ILE 52 1HG1 ILE 52 -2.220 -4.275 -5.342 466 1HG2 ILE 52 1HG2 ILE 52 -0.985 -1.466 -4.361 467 2HG2 ILE 52 2HG2 ILE 52 -1.645 -1.642 -2.739 468 3HG2 ILE 52 3HG2 ILE 52 -2.632 -2.040 -4.142 469 1HD1 ILE 52 1HD1 ILE 52 -1.180 -3.284 -7.035 470 2HD1 ILE 52 2HD1 ILE 52 0.413 -3.755 -6.440 471 3HD1 ILE 52 3HD1 ILE 52 -0.367 -2.300 -5.819 472 H VAL 53 H VAL 53 2.631 -4.287 -4.055 473 HA VAL 53 HA VAL 53 2.933 -1.649 -5.354 474 HB VAL 53 HB VAL 53 5.361 -1.752 -4.911 475 1HG1 VAL 53 1HG1 VAL 53 4.099 -2.024 -2.218 476 2HG1 VAL 53 2HG1 VAL 53 3.505 -0.764 -3.299 477 3HG1 VAL 53 3HG1 VAL 53 5.202 -0.790 -2.828 478 1HG2 VAL 53 1HG2 VAL 53 5.385 -3.615 -2.758 479 2HG2 VAL 53 2HG2 VAL 53 6.337 -3.630 -4.241 480 3HG2 VAL 53 3HG2 VAL 53 4.766 -4.427 -4.195 481 H ASP 54 H ASP 54 2.857 -1.855 -7.437 482 HA ASP 54 HA ASP 54 4.210 -4.124 -8.743 483 1HB ASP 54 2HB ASP 54 1.539 -3.498 -8.924 484 2HB ASP 54 1HB ASP 54 2.206 -2.696 -10.345 485 H ASN 55 H ASN 55 5.378 -3.742 -10.626 486 HA ASN 55 HA ASN 55 6.869 -2.613 -11.913 487 1HB ASN 55 2HB ASN 55 4.630 -0.597 -11.765 488 2HB ASN 55 1HB ASN 55 6.050 -0.371 -12.780 489 1HD2 ASN 55 1HD2 ASN 55 6.498 -2.068 -14.366 490 2HD2 ASN 55 2HD2 ASN 55 5.162 -2.873 -15.111 491 H ASN 56 H ASN 56 8.563 -1.160 -11.853 492 HA ASN 56 HA ASN 56 8.693 0.847 -9.775 493 1HB ASN 56 2HB ASN 56 9.868 -1.789 -9.435 494 2HB ASN 56 1HB ASN 56 11.069 -0.511 -9.311 495 1HD2 ASN 56 1HD2 ASN 56 11.055 0.844 -7.588 496 2HD2 ASN 56 2HD2 ASN 56 10.011 0.647 -6.226 497 H LYS 57 H LYS 57 9.473 2.549 -10.826 498 HA LYS 57 HA LYS 57 11.219 2.272 -13.111 499 1HB LYS 57 2HB LYS 57 11.010 4.664 -13.330 500 2HB LYS 57 1HB LYS 57 9.422 4.016 -12.942 501 1HG LYS 57 2HG LYS 57 10.448 4.599 -10.463 502 2HG LYS 57 1HG LYS 57 11.094 5.892 -11.469 503 1HD LYS 57 2HD LYS 57 8.742 6.248 -12.317 504 2HD LYS 57 1HD LYS 57 8.207 5.157 -11.038 505 1HE LYS 57 2HE LYS 57 8.619 6.677 -9.382 506 2HE LYS 57 1HE LYS 57 9.996 7.377 -10.235 507 1HZ LYS 57 1HZ LYS 57 7.667 8.608 -9.984 508 2HZ LYS 57 2HZ LYS 57 7.385 7.801 -11.444 509 3HZ LYS 57 3HZ LYS 57 8.698 8.858 -11.304 510 H GLN 58 H GLN 58 13.362 1.921 -12.833 511 HA GLN 58 HA GLN 58 14.630 2.791 -10.350 512 1HB GLN 58 2HB GLN 58 14.867 0.471 -11.589 513 2HB GLN 58 1HB GLN 58 16.114 1.325 -12.488 514 1HG GLN 58 2HG GLN 58 16.723 1.967 -9.903 515 2HG GLN 58 1HG GLN 58 16.122 0.317 -9.750 516 1HE2 GLN 58 1HE2 GLN 58 18.849 1.918 -9.906 517 2HE2 GLN 58 2HE2 GLN 58 19.841 0.828 -10.808 518 H LEU 59 H LEU 59 15.346 4.855 -10.358 519 HA LEU 59 HA LEU 59 16.877 5.752 -12.706 520 1HB LEU 59 2HB LEU 59 16.229 8.114 -11.839 521 2HB LEU 59 1HB LEU 59 15.109 7.200 -12.822 522 HG LEU 59 HG LEU 59 14.037 8.391 -10.937 523 1HD1 LEU 59 1HD1 LEU 59 13.268 6.140 -11.964 524 2HD1 LEU 59 2HD1 LEU 59 12.503 6.746 -10.496 525 3HD1 LEU 59 3HD1 LEU 59 13.723 5.483 -10.396 526 1HD2 LEU 59 1HD2 LEU 59 15.381 6.403 -9.127 527 2HD2 LEU 59 2HD2 LEU 59 14.371 7.777 -8.685 528 3HD2 LEU 59 3HD2 LEU 59 15.970 8.048 -9.361 529 H THR 60 H THR 60 18.978 5.810 -12.257 530 HA THR 60 HA THR 60 20.334 7.444 -10.650 531 HB THR 60 HB THR 60 19.372 6.827 -8.600 532 HG1 THR 60 1HG THR 60 21.298 6.704 -7.820 533 1HG2 THR 60 1HG2 THR 60 18.810 4.375 -9.762 534 2HG2 THR 60 2HG2 THR 60 18.436 4.881 -8.116 535 3HG2 THR 60 3HG2 THR 60 19.929 4.005 -8.451 536 H GLY 61 H GLY 61 20.312 3.886 -10.897 537 1HA GLY 61 2HA GLY 61 21.810 2.681 -12.310 538 2HA GLY 61 1HA GLY 61 22.906 4.056 -12.263 539 H LYS 62 H LYS 62 22.294 4.159 -9.247 540 HA LYS 62 HA LYS 62 24.606 2.868 -8.363 541 1HB LYS 62 2HB LYS 62 22.186 3.946 -6.940 542 2HB LYS 62 1HB LYS 62 23.466 3.133 -6.052 543 1HG LYS 62 2HG LYS 62 25.026 4.788 -6.536 544 2HG LYS 62 1HG LYS 62 24.083 5.413 -7.890 545 1HD LYS 62 2HD LYS 62 23.832 6.981 -6.137 546 2HD LYS 62 1HD LYS 62 22.323 6.067 -6.195 547 1HE LYS 62 2HE LYS 62 22.932 6.276 -3.905 548 2HE LYS 62 1HE LYS 62 23.246 4.608 -4.379 549 1HZ LYS 62 1HZ LYS 62 25.023 5.749 -3.028 550 2HZ LYS 62 2HZ LYS 62 25.362 6.678 -4.399 551 3HZ LYS 62 3HZ LYS 62 25.544 4.998 -4.451 552 H HIS 63 H HIS 63 21.478 1.979 -6.943 553 HA HIS 63 HA HIS 63 21.300 -0.625 -7.896 554 1HB HIS 63 2HB HIS 63 23.307 -0.268 -5.798 555 2HB HIS 63 1HB HIS 63 22.121 -1.511 -5.418 556 HD1 HIS 63 1HD HIS 63 21.777 -2.495 -8.417 557 HD2 HIS 63 2HD HIS 63 25.371 -2.003 -6.391 558 HE1 HIS 63 1HE HIS 63 23.420 -3.992 -9.591 559 HE2 HIS 63 2HE HIS 63 25.567 -3.738 -8.298 560 H GLU 64 H GLU 64 19.675 1.695 -6.799 561 HA GLU 64 HA GLU 64 18.060 0.133 -4.945 562 1HB GLU 64 2HB GLU 64 18.274 3.142 -5.065 563 2HB GLU 64 1HB GLU 64 17.499 2.168 -3.816 564 1HG GLU 64 2HG GLU 64 19.519 1.465 -2.919 565 2HG GLU 64 1HG GLU 64 20.401 1.781 -4.399 566 H ILE 65 H ILE 65 15.755 0.439 -5.231 567 HA ILE 65 HA ILE 65 15.170 1.134 -8.031 568 HB ILE 65 HB ILE 65 14.950 -1.282 -7.063 569 1HG1 ILE 65 2HG1 ILE 65 12.807 0.034 -8.732 570 2HG1 ILE 65 1HG1 ILE 65 14.292 -0.712 -9.318 571 1HG2 ILE 65 1HG2 ILE 65 12.303 -0.135 -6.220 572 2HG2 ILE 65 2HG2 ILE 65 13.600 -0.606 -5.125 573 3HG2 ILE 65 3HG2 ILE 65 12.805 -1.822 -6.122 574 1HD1 ILE 65 1HD1 ILE 65 12.089 -2.182 -7.893 575 2HD1 ILE 65 2HD1 ILE 65 13.523 -2.883 -8.639 576 3HD1 ILE 65 3HD1 ILE 65 12.292 -2.117 -9.643 577 H GLU 66 H GLU 66 13.648 2.488 -8.535 578 HA GLU 66 HA GLU 66 11.972 3.622 -6.395 579 1HB GLU 66 2HB GLU 66 13.653 5.214 -7.387 580 2HB GLU 66 1HB GLU 66 12.877 4.983 -8.938 581 1HG GLU 66 2HG GLU 66 10.879 6.002 -8.222 582 2HG GLU 66 1HG GLU 66 11.386 5.970 -6.538 583 H GLY 67 H GLY 67 9.910 4.494 -7.190 584 1HA GLY 67 2HA GLY 67 8.789 4.023 -9.655 585 2HA GLY 67 1HA GLY 67 8.576 2.522 -8.763 586 H TYR 68 H TYR 68 6.324 2.829 -8.859 587 HA TYR 68 HA TYR 68 5.429 4.809 -6.883 588 1HB TYR 68 2HB TYR 68 4.422 4.245 -9.604 589 2HB TYR 68 1HB TYR 68 3.180 4.359 -8.361 590 HD1 TYR 68 1HD TYR 68 4.874 6.183 -10.753 591 HD2 TYR 68 2HD TYR 68 3.624 6.465 -6.696 592 HE1 TYR 68 1HE TYR 68 4.963 8.636 -10.902 593 HE2 TYR 68 2HE TYR 68 3.708 8.920 -6.836 594 HH TYR 68 HH TYR 68 4.721 10.658 -8.134 595 H THR 69 H THR 69 4.294 4.069 -5.293 596 HA THR 69 HA THR 69 3.685 1.196 -5.282 597 HB THR 69 HB THR 69 4.866 1.313 -3.348 598 HG1 THR 69 1HG THR 69 2.687 1.230 -2.592 599 1HG2 THR 69 1HG2 THR 69 5.886 3.381 -3.781 600 2HG2 THR 69 2HG2 THR 69 5.335 3.375 -2.113 601 3HG2 THR 69 3HG2 THR 69 4.435 4.252 -3.334 602 H LYS 70 H LYS 70 1.698 0.449 -4.633 603 HA LYS 70 HA LYS 70 -0.484 2.442 -4.419 604 1HB LYS 70 2HB LYS 70 -0.126 0.652 -6.472 605 2HB LYS 70 1HB LYS 70 -1.158 -0.247 -5.386 606 1HG LYS 70 2HG LYS 70 -2.621 1.878 -5.362 607 2HG LYS 70 1HG LYS 70 -1.727 2.301 -6.825 608 1HD LYS 70 2HD LYS 70 -3.278 -0.253 -6.397 609 2HD LYS 70 1HD LYS 70 -3.834 1.138 -7.331 610 1HE LYS 70 2HE LYS 70 -1.591 0.798 -8.623 611 2HE LYS 70 1HE LYS 70 -1.677 -0.832 -7.955 612 1HZ LYS 70 1HZ LYS 70 -2.771 -1.047 -9.951 613 2HZ LYS 70 2HZ LYS 70 -3.483 0.484 -9.870 614 3HZ LYS 70 3HZ LYS 70 -4.065 -0.772 -8.897 615 H ILE 71 H ILE 71 -2.010 2.030 -2.741 616 HA ILE 71 HA ILE 71 -1.492 -0.463 -1.263 617 HB ILE 71 HB ILE 71 -1.019 2.233 -0.235 618 1HG1 ILE 71 2HG1 ILE 71 0.168 0.168 1.290 619 2HG1 ILE 71 1HG1 ILE 71 0.259 -0.313 -0.399 620 1HG2 ILE 71 1HG2 ILE 71 -1.466 0.981 2.098 621 2HG2 ILE 71 2HG2 ILE 71 -2.812 0.407 1.149 622 3HG2 ILE 71 3HG2 ILE 71 -2.565 2.135 1.360 623 1HD1 ILE 71 1HD1 ILE 71 2.025 1.276 0.895 624 2HD1 ILE 71 2HD1 ILE 71 1.012 2.455 0.077 625 3HD1 ILE 71 3HD1 ILE 71 1.824 1.195 -0.851 626 H TYR 72 H TYR 72 -3.042 -1.406 -0.082 627 HA TYR 72 HA TYR 72 -5.709 -0.125 -0.294 628 1HB TYR 72 2HB TYR 72 -6.475 -2.660 0.086 629 2HB TYR 72 1HB TYR 72 -6.254 -1.947 -1.501 630 HD1 TYR 72 1HD TYR 72 -5.409 -3.459 -2.980 631 HD2 TYR 72 2HD TYR 72 -3.932 -3.509 1.004 632 HE1 TYR 72 1HE TYR 72 -3.893 -5.299 -3.572 633 HE2 TYR 72 2HE TYR 72 -2.398 -5.339 0.420 634 HH TYR 72 HH TYR 72 -1.462 -6.115 -2.441 635 H ALA 73 H ALA 73 -6.443 0.608 1.512 636 HA ALA 73 HA ALA 73 -5.457 -0.376 4.052 637 1HB ALA 73 1HB ALA 73 -6.941 2.038 3.172 638 2HB ALA 73 2HB ALA 73 -5.478 1.912 4.134 639 3HB ALA 73 3HB ALA 73 -7.041 1.550 4.861 640 H ASP 74 H ASP 74 -8.009 -1.108 2.026 641 HA ASP 74 HA ASP 74 -9.981 -1.601 4.078 642 1HB ASP 74 2HB ASP 74 -11.363 -2.458 2.246 643 2HB ASP 74 1HB ASP 74 -10.681 -0.889 1.833 644 H LYS 75 H LYS 75 -7.256 -3.233 3.014 645 HA LYS 75 HA LYS 75 -8.165 -5.899 2.980 646 1HB LYS 75 2HB LYS 75 -6.010 -5.251 2.039 647 2HB LYS 75 1HB LYS 75 -5.423 -4.815 3.634 648 1HG LYS 75 2HG LYS 75 -5.031 -6.958 4.224 649 2HG LYS 75 1HG LYS 75 -6.430 -7.570 3.341 650 1HD LYS 75 2HD LYS 75 -4.354 -6.479 1.603 651 2HD LYS 75 1HD LYS 75 -3.801 -7.840 2.580 652 1HE LYS 75 2HE LYS 75 -5.542 -9.242 1.735 653 2HE LYS 75 1HE LYS 75 -6.323 -7.880 0.933 654 1HZ LYS 75 1HZ LYS 75 -3.560 -8.455 0.193 655 2HZ LYS 75 2HZ LYS 75 -4.846 -7.914 -0.763 656 3HZ LYS 75 3HZ LYS 75 -4.739 -9.548 -0.340 657 HA PRO 76 HA PRO 76 -6.954 -6.107 7.632 658 1HB PRO 76 2HB PRO 76 -6.553 -3.815 8.990 659 2HB PRO 76 1HB PRO 76 -5.251 -4.615 8.100 660 1HG PRO 76 2HG PRO 76 -6.925 -2.267 7.304 661 2HG PRO 76 1HG PRO 76 -5.182 -2.521 7.112 662 1HD PRO 76 2HD PRO 76 -6.984 -2.892 5.095 663 2HD PRO 76 1HD PRO 76 -5.451 -3.770 5.203 664 H SER 77 H SER 77 -8.652 -3.056 6.940 665 HA SER 77 HA SER 77 -10.499 -3.181 9.033 666 1HB SER 77 2HB SER 77 -10.051 -1.542 6.729 667 2HB SER 77 1HB SER 77 -11.762 -1.960 6.792 668 HG SER 77 HG SER 77 -10.267 -0.882 8.951 669 H ALA 78 H ALA 78 -10.407 -4.741 5.919 670 HA ALA 78 HA ALA 78 -13.113 -5.558 5.810 671 1HB ALA 78 1HB ALA 78 -12.136 -7.339 4.231 672 2HB ALA 78 2HB ALA 78 -10.606 -6.494 4.460 673 3HB ALA 78 3HB ALA 78 -11.989 -5.644 3.771 674 H MET 79 H MET 79 -10.170 -7.091 7.077 675 HA MET 79 HA MET 79 -11.469 -9.531 7.767 676 1HB MET 79 2HB MET 79 -8.899 -8.860 7.502 677 2HB MET 79 1HB MET 79 -9.038 -8.670 9.244 678 1HG MET 79 2HG MET 79 -8.977 -10.858 9.570 679 2HG MET 79 1HG MET 79 -10.241 -11.140 8.376 680 1HE MET 79 1HE MET 79 -5.799 -10.668 7.584 681 2HE MET 79 2HE MET 79 -6.880 -9.582 8.456 682 3HE MET 79 3HE MET 79 -6.786 -9.506 6.697 683 H LEU 80 H LEU 80 -10.497 -6.686 9.664 684 HA LEU 80 HA LEU 80 -11.623 -7.721 12.090 685 1HB LEU 80 2HB LEU 80 -10.742 -4.906 11.482 686 2HB LEU 80 1HB LEU 80 -10.985 -5.609 13.070 687 HG LEU 80 HG LEU 80 -9.025 -7.005 11.359 688 1HD1 LEU 80 1HD1 LEU 80 -7.448 -5.403 11.191 689 2HD1 LEU 80 2HD1 LEU 80 -7.938 -4.608 12.686 690 3HD1 LEU 80 3HD1 LEU 80 -8.846 -4.329 11.200 691 1HD2 LEU 80 1HD2 LEU 80 -8.062 -7.550 13.354 692 2HD2 LEU 80 2HD2 LEU 80 -9.718 -7.280 13.895 693 3HD2 LEU 80 3HD2 LEU 80 -8.503 -6.022 14.115 694 H TYR 81 H TYR 81 -12.644 -5.291 9.711 695 HA TYR 81 HA TYR 81 -15.066 -4.785 11.262 696 1HB TYR 81 2HB TYR 81 -13.585 -2.988 10.109 697 2HB TYR 81 1HB TYR 81 -14.433 -3.466 8.644 698 HD1 TYR 81 1HD TYR 81 -17.039 -3.450 8.780 699 HD2 TYR 81 2HD TYR 81 -14.501 -1.351 11.471 700 HE1 TYR 81 1HE TYR 81 -18.905 -1.959 9.365 701 HE2 TYR 81 2HE TYR 81 -16.360 0.147 12.066 702 HH TYR 81 HH TYR 81 -19.071 0.502 10.300 703 H GLU 82 H GLU 82 -14.104 -6.170 8.157 704 HA GLU 82 HA GLU 82 -15.242 -7.498 6.689 705 1HB GLU 82 2HB GLU 82 -17.479 -7.653 8.700 706 2HB GLU 82 1HB GLU 82 -17.057 -8.823 7.458 707 1HG GLU 82 2HG GLU 82 -14.782 -8.870 8.829 708 2HG GLU 82 1HG GLU 82 -15.867 -8.371 10.127 709 HA PRO 83 HA PRO 83 -17.675 -4.209 4.849 710 1HB PRO 83 2HB PRO 83 -17.843 -5.284 2.368 711 2HB PRO 83 1HB PRO 83 -16.385 -4.482 2.969 712 1HG PRO 83 2HG PRO 83 -17.014 -7.406 2.813 713 2HG PRO 83 1HG PRO 83 -15.509 -6.562 2.403 714 1HD PRO 83 2HD PRO 83 -15.850 -7.878 4.744 715 2HD PRO 83 1HD PRO 83 -14.836 -6.428 4.601 716 H ASP 84 H ASP 84 -18.592 -7.424 5.436 717 HA ASP 84 HA ASP 84 -21.136 -7.345 4.110 718 1HB ASP 84 2HB ASP 84 -20.233 -9.221 6.302 719 2HB ASP 84 1HB ASP 84 -21.556 -9.475 5.168 720 H TYR 85 H TYR 85 -19.939 -6.017 6.987 721 HA TYR 85 HA TYR 85 -22.675 -5.722 8.037 722 1HB TYR 85 2HB TYR 85 -20.086 -6.248 9.409 723 2HB TYR 85 1HB TYR 85 -21.243 -5.203 10.227 724 HD1 TYR 85 1HD TYR 85 -22.870 -6.164 11.568 725 HD2 TYR 85 2HD TYR 85 -21.048 -8.525 8.533 726 HE1 TYR 85 1HE TYR 85 -24.084 -8.141 12.385 727 HE2 TYR 85 2HE TYR 85 -22.257 -10.508 9.342 728 HH TYR 85 HH TYR 85 -24.839 -10.502 11.093 729 H GLU 86 H GLU 86 -23.176 -3.803 7.036 730 HA GLU 86 HA GLU 86 -23.260 -1.554 6.711 731 1HB GLU 86 2HB GLU 86 -21.900 -1.796 9.357 732 2HB GLU 86 1HB GLU 86 -21.953 -0.217 8.584 733 1HG GLU 86 2HG GLU 86 -23.818 -0.225 9.959 734 2HG GLU 86 1HG GLU 86 -24.469 -0.618 8.369 735 H LEU 87 H LEU 87 -22.180 -1.259 4.823 736 HA LEU 87 HA LEU 87 -19.335 -1.364 4.611 737 1HB LEU 87 2HB LEU 87 -21.105 -1.765 2.784 738 2HB LEU 87 1HB LEU 87 -21.160 -0.018 2.642 739 HG LEU 87 HG LEU 87 -18.548 -1.473 2.410 740 1HD1 LEU 87 1HD1 LEU 87 -19.000 -1.317 -0.108 741 2HD1 LEU 87 2HD1 LEU 87 -20.702 -1.217 0.341 742 3HD1 LEU 87 3HD1 LEU 87 -19.754 -2.635 0.789 743 1HD2 LEU 87 1HD2 LEU 87 -19.617 1.225 1.843 744 2HD2 LEU 87 2HD2 LEU 87 -18.442 0.579 0.697 745 3HD2 LEU 87 3HD2 LEU 87 -18.020 0.727 2.403 746 H ILE 88 H ILE 88 -21.715 1.232 4.872 747 HA ILE 88 HA ILE 88 -19.958 3.013 6.132 748 HB ILE 88 HB ILE 88 -18.864 3.132 3.937 749 1HG1 ILE 88 2HG1 ILE 88 -20.049 5.788 3.888 750 2HG1 ILE 88 1HG1 ILE 88 -19.698 5.265 5.531 751 1HG2 ILE 88 1HG2 ILE 88 -21.078 2.674 2.715 752 2HG2 ILE 88 2HG2 ILE 88 -19.921 3.775 1.967 753 3HG2 ILE 88 3HG2 ILE 88 -21.327 4.418 2.818 754 1HD1 ILE 88 1HD1 ILE 88 -17.826 6.480 4.656 755 2HD1 ILE 88 2HD1 ILE 88 -17.756 5.428 3.243 756 3HD1 ILE 88 3HD1 ILE 88 -17.380 4.784 4.840 757 H ARG 89 H ARG 89 -22.697 2.815 3.888 758 HA ARG 89 HA ARG 89 -24.789 3.695 3.946 759 1HB ARG 89 2HB ARG 89 -24.096 3.953 6.874 760 2HB ARG 89 1HB ARG 89 -25.679 4.359 6.224 761 1HG ARG 89 2HG ARG 89 -26.059 2.106 5.545 762 2HG ARG 89 1HG ARG 89 -24.396 1.656 5.925 763 1HD ARG 89 2HD ARG 89 -25.958 0.910 7.659 764 2HD ARG 89 1HD ARG 89 -24.796 2.081 8.283 765 HE ARG 89 HE ARG 89 -27.086 3.465 7.476 766 1HH1 ARG 89 1HH1 ARG 89 -26.114 1.160 9.908 767 2HH1 ARG 89 2HH1 ARG 89 -27.287 1.696 11.064 768 1HH2 ARG 89 1HH2 ARG 89 -28.630 4.172 8.994 769 2HH2 ARG 89 2HH2 ARG 89 -28.717 3.406 10.545 770 H ASN 90 H ASN 90 -23.441 5.792 6.469 771 HA ASN 90 HA ASN 90 -24.236 8.120 4.924 772 1HB ASN 90 2HB ASN 90 -23.561 9.373 6.990 773 2HB ASN 90 1HB ASN 90 -24.814 8.164 7.257 774 1HD2 ASN 90 1HD2 ASN 90 -22.727 9.416 9.009 775 2HD2 ASN 90 2HD2 ASN 90 -21.926 8.077 9.751 776 H GLY 91 H GLY 91 -22.811 9.882 4.475 777 1HA GLY 91 2HA GLY 91 -20.199 8.981 3.626 778 2HA GLY 91 1HA GLY 91 -20.907 10.563 3.330 779 H LEU 92 H LEU 92 -18.940 8.645 5.439 780 HA LEU 92 HA LEU 92 -18.718 10.537 7.552 781 1HB LEU 92 2HB LEU 92 -18.044 7.938 7.287 782 2HB LEU 92 1HB LEU 92 -16.471 8.679 7.052 783 HG LEU 92 HG LEU 92 -16.866 8.009 9.391 784 1HD1 LEU 92 1HD1 LEU 92 -16.851 10.950 9.585 785 2HD1 LEU 92 2HD1 LEU 92 -15.656 10.239 8.502 786 3HD1 LEU 92 3HD1 LEU 92 -15.702 9.762 10.199 787 1HD2 LEU 92 1HD2 LEU 92 -18.751 10.229 9.856 788 2HD2 LEU 92 2HD2 LEU 92 -18.648 8.645 10.623 789 3HD2 LEU 92 3HD2 LEU 92 -19.410 8.811 9.041 790 H LYS 93 H LYS 93 -17.372 12.223 7.820 791 HA LYS 93 HA LYS 93 -15.417 12.749 5.676 792 1HB LYS 93 2HB LYS 93 -17.393 14.300 5.763 793 2HB LYS 93 1HB LYS 93 -16.849 14.814 7.355 794 1HG LYS 93 2HG LYS 93 -14.598 15.264 6.046 795 2HG LYS 93 1HG LYS 93 -15.707 15.389 4.680 796 1HD LYS 93 2HD LYS 93 -16.555 16.827 7.098 797 2HD LYS 93 1HD LYS 93 -15.078 17.438 6.351 798 1HE LYS 93 2HE LYS 93 -16.810 16.991 4.221 799 2HE LYS 93 1HE LYS 93 -17.829 17.683 5.485 800 1HZ LYS 93 1HZ LYS 93 -15.421 18.859 4.230 801 2HZ LYS 93 2HZ LYS 93 -16.042 19.441 5.692 802 3HZ LYS 93 3HZ LYS 93 -16.989 19.494 4.292 803 H GLN 94 H GLN 94 -13.535 12.063 6.547 804 HA GLN 94 HA GLN 94 -12.874 12.780 9.297 805 1HB GLN 94 2HB GLN 94 -12.291 10.571 7.655 806 2HB GLN 94 1HB GLN 94 -10.760 11.398 7.896 807 1HG GLN 94 2HG GLN 94 -10.633 10.794 10.045 808 2HG GLN 94 1HG GLN 94 -12.349 11.081 10.331 809 1HE2 GLN 94 1HE2 GLN 94 -12.098 9.103 11.621 810 2HE2 GLN 94 2HE2 GLN 94 -12.273 7.576 10.831 811 H LYS 95 H LYS 95 -13.042 15.037 7.902 812 HA LYS 95 HA LYS 95 -11.928 16.957 7.416 813 1HB LYS 95 2HB LYS 95 -10.483 15.851 9.407 814 2HB LYS 95 1HB LYS 95 -9.264 15.886 8.140 815 1HG LYS 95 2HG LYS 95 -10.588 18.403 8.175 816 2HG LYS 95 1HG LYS 95 -10.121 17.991 9.825 817 1HD LYS 95 2HD LYS 95 -8.291 19.166 8.889 818 2HD LYS 95 1HD LYS 95 -7.825 17.464 8.913 819 1HE LYS 95 2HE LYS 95 -7.712 17.346 6.675 820 2HE LYS 95 1HE LYS 95 -9.186 18.287 6.457 821 1HZ LYS 95 1HZ LYS 95 -6.636 19.555 7.254 822 2HZ LYS 95 2HZ LYS 95 -8.010 20.285 6.588 823 3HZ LYS 95 3HZ LYS 95 -7.029 19.296 5.629 824 H GLU 96 H GLU 96 -12.443 15.681 5.231 825 HA GLU 96 HA GLU 96 -10.466 16.441 3.405 826 1HB GLU 96 2HB GLU 96 -10.016 14.029 2.552 827 2HB GLU 96 1HB GLU 96 -9.086 14.644 3.911 828 1HG GLU 96 2HG GLU 96 -10.151 13.293 5.433 829 2HG GLU 96 1HG GLU 96 -11.589 13.114 4.428 830 H ALA 97 H ALA 97 -13.148 14.243 4.050 831 HA ALA 97 HA ALA 97 -15.048 13.764 2.901 832 1HB ALA 97 1HB ALA 97 -14.396 16.522 2.128 833 2HB ALA 97 2HB ALA 97 -15.900 15.837 2.744 834 3HB ALA 97 3HB ALA 97 -15.491 15.677 1.035 835 H LYS 98 H LYS 98 -13.512 15.410 0.171 836 HA LYS 98 HA LYS 98 -12.987 14.697 -1.923 837 1HB LYS 98 2HB LYS 98 -11.355 13.393 -0.279 838 2HB LYS 98 1HB LYS 98 -12.231 12.000 -0.897 839 1HG LYS 98 2HG LYS 98 -10.682 12.016 -2.508 840 2HG LYS 98 1HG LYS 98 -11.652 13.320 -3.197 841 1HD LYS 98 2HD LYS 98 -10.175 14.789 -1.564 842 2HD LYS 98 1HD LYS 98 -9.058 13.435 -1.745 843 1HE LYS 98 2HE LYS 98 -10.312 14.813 -4.104 844 2HE LYS 98 1HE LYS 98 -8.809 15.378 -3.377 845 1HZ LYS 98 1HZ LYS 98 -7.658 13.608 -4.152 846 2HZ LYS 98 2HZ LYS 98 -8.854 13.641 -5.349 847 3HZ LYS 98 3HZ LYS 98 -8.972 12.547 -4.063 Start of MODEL 5 1 1H MET 1 H MET 1 17.508 -3.477 4.033 2 HA MET 1 HA MET 1 17.412 -2.584 1.248 3 1HB MET 1 2HB MET 1 15.358 -4.143 2.731 4 2HB MET 1 1HB MET 1 14.754 -2.812 1.755 5 1HG MET 1 2HG MET 1 14.673 -4.640 0.335 6 2HG MET 1 1HG MET 1 16.153 -3.804 -0.135 7 1HE MET 1 1HE MET 1 16.882 -5.564 -1.414 8 2HE MET 1 2HE MET 1 17.579 -7.092 -0.878 9 3HE MET 1 3HE MET 1 18.431 -5.578 -0.573 10 H ASP 2 H ASP 2 16.441 -0.401 0.974 11 HA ASP 2 HA ASP 2 15.769 0.920 3.535 12 1HB ASP 2 2HB ASP 2 18.230 1.268 2.487 13 2HB ASP 2 1HB ASP 2 17.357 2.532 1.633 14 H LEU 3 H LEU 3 13.725 1.570 3.234 15 HA LEU 3 HA LEU 3 12.950 2.319 0.540 16 1HB LEU 3 2HB LEU 3 11.737 0.698 2.074 17 2HB LEU 3 1HB LEU 3 11.158 2.104 2.931 18 HG LEU 3 HG LEU 3 9.683 0.948 1.153 19 1HD1 LEU 3 1HD1 LEU 3 8.414 2.832 1.013 20 2HD1 LEU 3 2HD1 LEU 3 9.809 3.885 0.776 21 3HD1 LEU 3 3HD1 LEU 3 9.463 3.228 2.376 22 1HD2 LEU 3 1HD2 LEU 3 9.899 1.606 -1.082 23 2HD2 LEU 3 2HD2 LEU 3 11.504 1.074 -0.594 24 3HD2 LEU 3 3HD2 LEU 3 11.135 2.797 -0.700 25 H ILE 4 H ILE 4 13.137 4.343 -0.059 26 HA ILE 4 HA ILE 4 12.497 6.438 1.937 27 HB ILE 4 HB ILE 4 13.362 8.001 0.069 28 1HG1 ILE 4 2HG1 ILE 4 13.622 6.011 -1.522 29 2HG1 ILE 4 1HG1 ILE 4 14.956 7.154 -1.456 30 1HG2 ILE 4 1HG2 ILE 4 14.361 7.666 2.310 31 2HG2 ILE 4 2HG2 ILE 4 15.552 8.036 1.063 32 3HG2 ILE 4 3HG2 ILE 4 15.361 6.378 1.639 33 1HD1 ILE 4 1HD1 ILE 4 15.886 5.458 0.322 34 2HD1 ILE 4 2HD1 ILE 4 16.082 5.177 -1.406 35 3HD1 ILE 4 3HD1 ILE 4 14.815 4.341 -0.518 36 H ILE 5 H ILE 5 10.526 6.974 1.825 37 HA ILE 5 HA ILE 5 9.065 6.684 -0.679 38 HB ILE 5 HB ILE 5 8.583 5.330 1.327 39 1HG1 ILE 5 2HG1 ILE 5 6.040 5.857 1.151 40 2HG1 ILE 5 1HG1 ILE 5 6.556 6.983 -0.105 41 1HG2 ILE 5 1HG2 ILE 5 7.933 8.010 2.415 42 2HG2 ILE 5 2HG2 ILE 5 8.798 6.669 3.150 43 3HG2 ILE 5 3HG2 ILE 5 7.047 6.598 2.977 44 1HD1 ILE 5 1HD1 ILE 5 6.230 5.155 -1.389 45 2HD1 ILE 5 2HD1 ILE 5 6.593 4.034 -0.079 46 3HD1 ILE 5 3HD1 ILE 5 7.898 4.865 -0.915 47 H LYS 6 H LYS 6 7.726 8.166 -1.520 48 HA LYS 6 HA LYS 6 7.439 10.781 -0.187 49 1HB LYS 6 2HB LYS 6 8.714 10.366 -2.653 50 2HB LYS 6 1HB LYS 6 7.103 10.938 -3.073 51 1HG LYS 6 2HG LYS 6 8.520 12.833 -2.934 52 2HG LYS 6 1HG LYS 6 7.471 12.857 -1.517 53 1HD LYS 6 2HD LYS 6 9.234 12.834 -0.160 54 2HD LYS 6 1HD LYS 6 9.847 11.368 -0.925 55 1HE LYS 6 2HE LYS 6 10.405 13.380 -2.754 56 2HE LYS 6 1HE LYS 6 10.739 14.115 -1.186 57 1HZ LYS 6 1HZ LYS 6 12.715 13.116 -1.471 58 2HZ LYS 6 2HZ LYS 6 12.119 11.962 -2.554 59 3HZ LYS 6 3HZ LYS 6 11.912 11.745 -0.890 60 H GLU 7 H GLU 7 5.683 9.701 0.727 61 HA GLU 7 HA GLU 7 3.596 8.501 -0.703 62 1HB GLU 7 2HB GLU 7 3.409 9.417 2.107 63 2HB GLU 7 1HB GLU 7 2.688 7.996 1.359 64 1HG GLU 7 2HG GLU 7 4.452 6.824 2.094 65 2HG GLU 7 1HG GLU 7 5.413 7.689 0.903 66 H LYS 8 H LYS 8 1.638 9.066 -1.431 67 HA LYS 8 HA LYS 8 0.602 11.676 -0.697 68 1HB LYS 8 2HB LYS 8 1.372 10.747 -3.367 69 2HB LYS 8 1HB LYS 8 -0.289 11.319 -3.287 70 1HG LYS 8 2HG LYS 8 0.659 13.305 -3.727 71 2HG LYS 8 1HG LYS 8 0.959 13.317 -1.989 72 1HD LYS 8 2HD LYS 8 3.052 13.818 -2.825 73 2HD LYS 8 1HD LYS 8 3.153 12.067 -2.643 74 1HE LYS 8 2HE LYS 8 3.998 12.378 -4.769 75 2HE LYS 8 1HE LYS 8 2.303 12.022 -5.095 76 1HZ LYS 8 1HZ LYS 8 1.850 14.236 -5.568 77 2HZ LYS 8 2HZ LYS 8 3.368 14.002 -6.276 78 3HZ LYS 8 3HZ LYS 8 3.241 14.806 -4.794 79 H ARG 9 H ARG 9 -1.548 11.364 0.043 80 HA ARG 9 HA ARG 9 -2.803 8.846 -0.859 81 1HB ARG 9 2HB ARG 9 -3.754 8.632 1.450 82 2HB ARG 9 1HB ARG 9 -2.015 8.407 1.329 83 1HG ARG 9 2HG ARG 9 -2.382 11.132 1.828 84 2HG ARG 9 1HG ARG 9 -3.512 10.295 2.892 85 1HD ARG 9 2HD ARG 9 -0.888 9.035 2.811 86 2HD ARG 9 1HD ARG 9 -0.824 10.708 3.364 87 HE ARG 9 HE ARG 9 -2.873 9.150 4.642 88 1HH1 ARG 9 1HH1 ARG 9 0.497 10.052 4.720 89 2HH1 ARG 9 2HH1 ARG 9 0.670 9.737 6.414 90 1HH2 ARG 9 1HH2 ARG 9 -2.649 8.737 6.867 91 2HH2 ARG 9 2HH2 ARG 9 -1.116 8.990 7.634 92 H ASP 10 H ASP 10 -4.871 8.777 -1.310 93 HA ASP 10 HA ASP 10 -6.529 11.140 -0.775 94 1HB ASP 10 2HB ASP 10 -6.118 9.653 -3.346 95 2HB ASP 10 1HB ASP 10 -7.688 10.378 -3.015 96 H ASN 11 H ASN 11 -8.117 10.529 0.590 97 HA ASN 11 HA ASN 11 -8.968 7.733 0.357 98 1HB ASN 11 2HB ASN 11 -9.820 8.036 2.697 99 2HB ASN 11 1HB ASN 11 -8.073 8.191 2.527 100 1HD2 ASN 11 1HD2 ASN 11 -10.531 9.397 4.154 101 2HD2 ASN 11 2HD2 ASN 11 -10.031 11.041 4.350 102 HA PRO 12 HA PRO 12 -12.974 9.556 -0.634 103 1HB PRO 12 2HB PRO 12 -13.509 7.973 -2.691 104 2HB PRO 12 1HB PRO 12 -12.172 9.119 -2.821 105 1HG PRO 12 2HG PRO 12 -12.093 6.178 -2.485 106 2HG PRO 12 1HG PRO 12 -10.896 7.259 -3.218 107 1HD PRO 12 2HD PRO 12 -10.989 6.239 -0.506 108 2HD PRO 12 1HD PRO 12 -9.716 7.201 -1.278 109 H ILE 13 H ILE 13 -14.066 6.647 -1.790 110 HA ILE 13 HA ILE 13 -15.654 6.083 0.514 111 HB ILE 13 HB ILE 13 -16.652 4.366 -0.768 112 1HG1 ILE 13 2HG1 ILE 13 -14.097 4.381 -2.388 113 2HG1 ILE 13 1HG1 ILE 13 -14.712 3.081 -1.377 114 1HG2 ILE 13 1HG2 ILE 13 -16.527 6.873 -1.745 115 2HG2 ILE 13 2HG2 ILE 13 -17.495 5.589 -2.467 116 3HG2 ILE 13 3HG2 ILE 13 -15.904 5.968 -3.126 117 1HD1 ILE 13 1HD1 ILE 13 -14.935 2.660 -3.786 118 2HD1 ILE 13 2HD1 ILE 13 -16.018 4.047 -3.905 119 3HD1 ILE 13 3HD1 ILE 13 -16.480 2.648 -2.936 120 H LEU 14 H LEU 14 -12.868 4.595 -1.061 121 HA LEU 14 HA LEU 14 -12.658 2.670 1.122 122 1HB LEU 14 2HB LEU 14 -11.624 1.170 -0.326 123 2HB LEU 14 1HB LEU 14 -12.965 1.863 -1.209 124 HG LEU 14 HG LEU 14 -11.415 1.923 -2.851 125 1HD1 LEU 14 1HD1 LEU 14 -10.840 4.450 -1.326 126 2HD1 LEU 14 2HD1 LEU 14 -11.939 4.218 -2.681 127 3HD1 LEU 14 3HD1 LEU 14 -10.200 4.119 -2.931 128 1HD2 LEU 14 1HD2 LEU 14 -9.147 1.661 -2.597 129 2HD2 LEU 14 2HD2 LEU 14 -9.728 0.974 -1.080 130 3HD2 LEU 14 3HD2 LEU 14 -9.091 2.618 -1.117 131 H LYS 15 H LYS 15 -11.369 5.516 1.019 132 HA LYS 15 HA LYS 15 -9.355 6.440 1.599 133 1HB LYS 15 2HB LYS 15 -8.341 5.430 3.555 134 2HB LYS 15 1HB LYS 15 -10.093 5.390 3.648 135 1HG LYS 15 2HG LYS 15 -8.673 2.997 2.609 136 2HG LYS 15 1HG LYS 15 -8.659 3.324 4.341 137 1HD LYS 15 2HD LYS 15 -11.314 3.650 3.227 138 2HD LYS 15 1HD LYS 15 -10.673 2.039 2.903 139 1HE LYS 15 2HE LYS 15 -10.197 2.977 5.634 140 2HE LYS 15 1HE LYS 15 -11.904 2.828 5.219 141 1HZ LYS 15 1HZ LYS 15 -11.513 0.545 4.549 142 2HZ LYS 15 2HZ LYS 15 -11.023 0.776 6.151 143 3HZ LYS 15 3HZ LYS 15 -9.868 0.687 4.919 144 H ARG 16 H ARG 16 -8.781 5.634 -0.873 145 HA ARG 16 HA ARG 16 -6.531 3.759 -0.787 146 1HB ARG 16 2HB ARG 16 -8.326 3.689 -2.583 147 2HB ARG 16 1HB ARG 16 -7.640 5.178 -3.210 148 1HG ARG 16 2HG ARG 16 -5.419 3.680 -3.089 149 2HG ARG 16 1HG ARG 16 -6.624 2.416 -3.346 150 1HD ARG 16 2HD ARG 16 -6.695 4.868 -5.043 151 2HD ARG 16 1HD ARG 16 -5.492 3.625 -5.380 152 HE ARG 16 HE ARG 16 -7.959 2.359 -5.148 153 1HH1 ARG 16 1HH1 ARG 16 -6.407 4.677 -7.245 154 2HH1 ARG 16 2HH1 ARG 16 -7.329 4.222 -8.638 155 1HH2 ARG 16 1HH2 ARG 16 -9.170 1.758 -6.979 156 2HH2 ARG 16 2HH2 ARG 16 -8.899 2.565 -8.487 157 H LYS 17 H LYS 17 -4.389 4.307 -1.456 158 HA LYS 17 HA LYS 17 -3.990 7.202 -1.831 159 1HB LYS 17 2HB LYS 17 -2.085 7.189 -0.271 160 2HB LYS 17 1HB LYS 17 -3.638 6.881 0.489 161 1HG LYS 17 2HG LYS 17 -2.680 5.152 1.471 162 2HG LYS 17 1HG LYS 17 -2.696 4.360 -0.102 163 1HD LYS 17 2HD LYS 17 -0.467 6.167 0.800 164 2HD LYS 17 1HD LYS 17 -0.472 4.433 1.110 165 1HE LYS 17 2HE LYS 17 -0.357 5.844 -1.549 166 2HE LYS 17 1HE LYS 17 0.800 4.728 -0.848 167 1HZ LYS 17 1HZ LYS 17 -1.848 3.724 -1.295 168 2HZ LYS 17 2HZ LYS 17 -0.336 2.998 -1.495 169 3HZ LYS 17 3HZ LYS 17 -0.921 4.064 -2.664 170 H GLU 18 H GLU 18 -1.850 7.849 -2.666 171 HA GLU 18 HA GLU 18 -0.566 5.739 -4.255 172 1HB GLU 18 2HB GLU 18 -0.370 8.006 -5.838 173 2HB GLU 18 1HB GLU 18 -1.414 6.623 -6.129 174 1HG GLU 18 2HG GLU 18 -3.289 7.697 -5.298 175 2HG GLU 18 1HG GLU 18 -2.336 8.874 -4.396 176 H ILE 19 H ILE 19 1.415 5.655 -3.559 177 HA ILE 19 HA ILE 19 2.836 8.157 -3.020 178 HB ILE 19 HB ILE 19 3.783 7.414 -1.048 179 1HG1 ILE 19 2HG1 ILE 19 4.533 5.262 -1.568 180 2HG1 ILE 19 1HG1 ILE 19 3.458 5.095 -0.191 181 1HG2 ILE 19 1HG2 ILE 19 1.611 6.171 0.068 182 2HG2 ILE 19 2HG2 ILE 19 0.915 7.027 -1.304 183 3HG2 ILE 19 3HG2 ILE 19 1.818 7.908 -0.095 184 1HD1 ILE 19 1HD1 ILE 19 3.181 4.144 -2.931 185 2HD1 ILE 19 2HD1 ILE 19 1.722 4.701 -2.157 186 3HD1 ILE 19 3HD1 ILE 19 2.662 3.408 -1.427 187 H LYS 20 H LYS 20 5.043 8.173 -3.345 188 HA LYS 20 HA LYS 20 5.918 6.174 -5.337 189 1HB LYS 20 2HB LYS 20 7.389 7.800 -6.120 190 2HB LYS 20 1HB LYS 20 6.035 8.777 -5.555 191 1HG LYS 20 2HG LYS 20 7.703 9.902 -4.526 192 2HG LYS 20 1HG LYS 20 7.420 8.673 -3.293 193 1HD LYS 20 2HD LYS 20 9.399 7.691 -3.644 194 2HD LYS 20 1HD LYS 20 9.261 7.822 -5.397 195 1HE LYS 20 2HE LYS 20 10.762 9.461 -5.358 196 2HE LYS 20 1HE LYS 20 9.632 10.440 -4.424 197 1HZ LYS 20 1HZ LYS 20 10.636 9.868 -2.448 198 2HZ LYS 20 2HZ LYS 20 11.970 9.948 -3.481 199 3HZ LYS 20 3HZ LYS 20 11.316 8.446 -3.062 200 H TYR 21 H TYR 21 7.764 4.853 -5.019 201 HA TYR 21 HA TYR 21 9.132 5.176 -2.427 202 1HB TYR 21 2HB TYR 21 8.553 3.084 -1.663 203 2HB TYR 21 1HB TYR 21 7.125 3.518 -2.570 204 HD1 TYR 21 1HD TYR 21 8.158 3.024 -5.361 205 HD2 TYR 21 2HD TYR 21 8.471 0.717 -1.806 206 HE1 TYR 21 1HE TYR 21 8.360 0.981 -6.711 207 HE2 TYR 21 2HE TYR 21 8.686 -1.334 -3.145 208 HH TYR 21 HH TYR 21 9.491 -1.872 -5.573 209 H VAL 22 H VAL 22 11.129 4.167 -2.117 210 HA VAL 22 HA VAL 22 12.435 2.827 -4.361 211 HB VAL 22 HB VAL 22 13.427 5.438 -3.303 212 1HG1 VAL 22 1HG1 VAL 22 15.394 3.254 -4.056 213 2HG1 VAL 22 2HG1 VAL 22 15.091 3.757 -2.397 214 3HG1 VAL 22 3HG1 VAL 22 15.776 4.897 -3.549 215 1HG2 VAL 22 1HG2 VAL 22 12.677 4.992 -5.664 216 2HG2 VAL 22 2HG2 VAL 22 14.110 3.979 -5.843 217 3HG2 VAL 22 3HG2 VAL 22 14.284 5.700 -5.506 218 H LEU 23 H LEU 23 13.542 1.096 -3.625 219 HA LEU 23 HA LEU 23 13.968 0.838 -0.775 220 1HB LEU 23 2HB LEU 23 12.437 -0.835 -1.853 221 2HB LEU 23 1HB LEU 23 13.714 -1.266 -2.962 222 HG LEU 23 HG LEU 23 14.929 -1.742 -0.558 223 1HD1 LEU 23 1HD1 LEU 23 12.889 -3.279 0.373 224 2HD1 LEU 23 2HD1 LEU 23 12.024 -1.829 -0.140 225 3HD1 LEU 23 3HD1 LEU 23 13.338 -1.704 1.029 226 1HD2 LEU 23 1HD2 LEU 23 13.770 -3.273 -2.728 227 2HD2 LEU 23 2HD2 LEU 23 13.680 -4.150 -1.203 228 3HD2 LEU 23 3HD2 LEU 23 15.237 -3.575 -1.798 229 H LYS 24 H LYS 24 16.077 0.834 -0.209 230 HA LYS 24 HA LYS 24 18.023 0.674 -2.371 231 1HB LYS 24 2HB LYS 24 18.541 1.539 0.475 232 2HB LYS 24 1HB LYS 24 19.537 1.857 -0.931 233 1HG LYS 24 2HG LYS 24 17.948 3.414 -1.799 234 2HG LYS 24 1HG LYS 24 16.767 2.969 -0.572 235 1HD LYS 24 2HD LYS 24 17.789 4.190 1.054 236 2HD LYS 24 1HD LYS 24 19.401 3.932 0.383 237 1HE LYS 24 2HE LYS 24 17.956 5.431 -1.511 238 2HE LYS 24 1HE LYS 24 17.635 6.159 0.062 239 1HZ LYS 24 1HZ LYS 24 20.112 6.123 0.400 240 2HZ LYS 24 2HZ LYS 24 19.555 7.202 -0.776 241 3HZ LYS 24 3HZ LYS 24 20.262 5.737 -1.241 242 H PHE 25 H PHE 25 18.981 -1.153 -2.631 243 HA PHE 25 HA PHE 25 19.017 -2.996 -0.367 244 1HB PHE 25 2HB PHE 25 19.243 -4.690 -2.237 245 2HB PHE 25 1HB PHE 25 17.704 -3.892 -2.080 246 HD1 PHE 25 1HD PHE 25 20.686 -4.317 -4.128 247 HD2 PHE 25 2HD PHE 25 16.962 -2.285 -3.752 248 HE1 PHE 25 1HE PHE 25 20.815 -3.653 -6.491 249 HE2 PHE 25 2HE PHE 25 17.091 -1.619 -6.115 250 HZ PHE 25 HZ PHE 25 19.015 -2.302 -7.488 251 H ASP 26 H ASP 26 20.801 -3.791 0.401 252 HA ASP 26 HA ASP 26 23.294 -3.569 -1.134 253 1HB ASP 26 2HB ASP 26 23.173 -1.516 0.204 254 2HB ASP 26 1HB ASP 26 22.965 -2.475 1.667 255 H SER 27 H SER 27 24.589 -5.264 -0.913 256 HA SER 27 HA SER 27 25.709 -6.999 0.166 257 1HB SER 27 2HB SER 27 25.152 -7.812 2.278 258 2HB SER 27 1HB SER 27 24.583 -6.148 2.378 259 HG SER 27 HG SER 27 23.061 -8.495 1.943 260 H SER 28 H SER 28 24.816 -7.443 -2.081 261 HA SER 28 HA SER 28 23.969 -8.975 -3.535 262 1HB SER 28 2HB SER 28 23.363 -10.657 -1.089 263 2HB SER 28 1HB SER 28 23.495 -11.223 -2.753 264 HG SER 28 HG SER 28 25.634 -9.941 -1.421 265 H ARG 29 H ARG 29 21.952 -9.477 -4.448 266 HA ARG 29 HA ARG 29 19.795 -7.901 -3.467 267 1HB ARG 29 2HB ARG 29 19.838 -8.111 -5.788 268 2HB ARG 29 1HB ARG 29 20.135 -9.843 -5.724 269 1HG ARG 29 2HG ARG 29 17.936 -9.639 -6.476 270 2HG ARG 29 1HG ARG 29 17.782 -10.048 -4.768 271 1HD ARG 29 2HD ARG 29 16.514 -8.246 -4.507 272 2HD ARG 29 1HD ARG 29 17.921 -7.252 -4.877 273 HE ARG 29 HE ARG 29 16.898 -6.706 -6.830 274 1HH1 ARG 29 1HH1 ARG 29 15.703 -9.832 -5.833 275 2HH1 ARG 29 2HH1 ARG 29 14.618 -9.982 -7.173 276 1HH2 ARG 29 1HH2 ARG 29 15.468 -6.903 -8.591 277 2HH2 ARG 29 2HH2 ARG 29 14.483 -8.321 -8.739 278 H THR 30 H THR 30 18.740 -8.442 -1.712 279 HA THR 30 HA THR 30 17.877 -11.231 -1.405 280 HB THR 30 HB THR 30 19.633 -10.340 0.171 281 HG1 THR 30 1HG THR 30 17.193 -11.384 1.169 282 1HG2 THR 30 1HG2 THR 30 19.061 -8.985 1.999 283 2HG2 THR 30 2HG2 THR 30 17.347 -9.020 1.590 284 3HG2 THR 30 3HG2 THR 30 18.479 -8.133 0.568 285 HA PRO 31 HA PRO 31 13.956 -8.996 -1.492 286 1HB PRO 31 2HB PRO 31 12.496 -10.889 -2.668 287 2HB PRO 31 1HB PRO 31 13.695 -9.971 -3.586 288 1HG PRO 31 2HG PRO 31 13.844 -12.753 -2.524 289 2HG PRO 31 1HG PRO 31 14.500 -12.088 -4.030 290 1HD PRO 31 2HD PRO 31 15.921 -12.519 -1.643 291 2HD PRO 31 1HD PRO 31 16.465 -11.555 -3.028 292 H SER 32 H SER 32 12.677 -8.853 0.262 293 HA SER 32 HA SER 32 11.987 -11.347 1.687 294 1HB SER 32 2HB SER 32 13.603 -9.455 2.737 295 2HB SER 32 1HB SER 32 12.040 -8.777 3.195 296 HG SER 32 HG SER 32 11.580 -10.926 4.078 297 H ARG 33 H ARG 33 9.864 -11.395 2.641 298 HA ARG 33 HA ARG 33 7.923 -9.948 1.111 299 1HB ARG 33 2HB ARG 33 6.289 -11.093 2.713 300 2HB ARG 33 1HB ARG 33 7.254 -12.121 1.666 301 1HG ARG 33 2HG ARG 33 8.704 -11.765 4.069 302 2HG ARG 33 1HG ARG 33 7.039 -12.152 4.499 303 1HD ARG 33 2HD ARG 33 7.527 -13.919 2.478 304 2HD ARG 33 1HD ARG 33 9.105 -13.815 3.254 305 HE ARG 33 HE ARG 33 8.251 -14.908 5.080 306 1HH1 ARG 33 1HH1 ARG 33 5.619 -13.862 3.042 307 2HH1 ARG 33 2HH1 ARG 33 4.422 -14.754 3.917 308 1HH2 ARG 33 1HH2 ARG 33 6.677 -16.081 6.234 309 2HH2 ARG 33 2HH2 ARG 33 5.022 -16.013 5.730 310 H GLU 34 H GLU 34 8.819 -9.978 4.529 311 HA GLU 34 HA GLU 34 7.069 -7.841 5.248 312 1HB GLU 34 2HB GLU 34 8.235 -9.830 6.629 313 2HB GLU 34 1HB GLU 34 9.336 -8.514 7.018 314 1HG GLU 34 2HG GLU 34 7.608 -7.230 7.994 315 2HG GLU 34 1HG GLU 34 6.359 -8.293 7.346 316 H GLU 35 H GLU 35 10.619 -8.052 4.925 317 HA GLU 35 HA GLU 35 11.200 -5.508 5.814 318 1HB GLU 35 2HB GLU 35 12.727 -6.911 3.635 319 2HB GLU 35 1HB GLU 35 13.344 -5.747 4.800 320 1HG GLU 35 2HG GLU 35 12.645 -7.462 6.575 321 2HG GLU 35 1HG GLU 35 12.544 -8.599 5.233 322 H ILE 36 H ILE 36 10.806 -6.411 2.334 323 HA ILE 36 HA ILE 36 11.044 -3.656 1.579 324 HB ILE 36 HB ILE 36 11.732 -5.356 -0.004 325 1HG1 ILE 36 2HG1 ILE 36 9.320 -3.792 -0.944 326 2HG1 ILE 36 1HG1 ILE 36 10.986 -3.230 -0.926 327 1HG2 ILE 36 1HG2 ILE 36 10.470 -7.073 -0.771 328 2HG2 ILE 36 2HG2 ILE 36 8.963 -6.165 -0.657 329 3HG2 ILE 36 3HG2 ILE 36 9.691 -6.850 0.792 330 1HD1 ILE 36 1HD1 ILE 36 10.812 -5.674 -2.399 331 2HD1 ILE 36 2HD1 ILE 36 11.335 -4.078 -2.934 332 3HD1 ILE 36 3HD1 ILE 36 9.629 -4.516 -3.005 333 H LYS 37 H LYS 37 8.371 -5.925 1.496 334 HA LYS 37 HA LYS 37 6.346 -4.154 0.762 335 1HB LYS 37 2HB LYS 37 6.370 -6.769 0.997 336 2HB LYS 37 1HB LYS 37 5.710 -6.413 2.587 337 1HG LYS 37 2HG LYS 37 3.774 -5.456 1.702 338 2HG LYS 37 1HG LYS 37 4.496 -5.261 0.104 339 1HD LYS 37 2HD LYS 37 4.217 -8.006 1.237 340 2HD LYS 37 1HD LYS 37 2.788 -7.201 0.586 341 1HE LYS 37 2HE LYS 37 3.420 -7.707 -1.482 342 2HE LYS 37 1HE LYS 37 4.942 -6.848 -1.247 343 1HZ LYS 37 1HZ LYS 37 5.710 -8.967 -0.101 344 2HZ LYS 37 2HZ LYS 37 5.553 -9.017 -1.785 345 3HZ LYS 37 3HZ LYS 37 4.364 -9.713 -0.804 346 H GLU 38 H GLU 38 7.083 -5.175 4.092 347 HA GLU 38 HA GLU 38 5.122 -3.394 5.073 348 1HB GLU 38 2HB GLU 38 5.541 -4.289 7.059 349 2HB GLU 38 1HB GLU 38 6.490 -5.447 6.147 350 1HG GLU 38 2HG GLU 38 8.523 -4.217 6.639 351 2HG GLU 38 1HG GLU 38 7.597 -2.973 7.466 352 H LEU 39 H LEU 39 8.718 -3.096 5.010 353 HA LEU 39 HA LEU 39 8.710 -0.507 6.043 354 1HB LEU 39 2HB LEU 39 10.886 -0.808 5.962 355 2HB LEU 39 1HB LEU 39 10.634 -2.285 5.068 356 HG LEU 39 HG LEU 39 10.728 0.292 3.587 357 1HD1 LEU 39 1HD1 LEU 39 13.275 -0.376 3.393 358 2HD1 LEU 39 2HD1 LEU 39 12.979 -1.015 5.010 359 3HD1 LEU 39 3HD1 LEU 39 12.691 0.694 4.669 360 1HD2 LEU 39 1HD2 LEU 39 11.219 -1.016 1.774 361 2HD2 LEU 39 2HD2 LEU 39 10.264 -2.149 2.722 362 3HD2 LEU 39 3HD2 LEU 39 12.021 -2.247 2.748 363 H ILE 40 H ILE 40 7.942 -1.613 2.804 364 HA ILE 40 HA ILE 40 8.042 1.045 1.720 365 HB ILE 40 HB ILE 40 7.162 0.223 -0.319 366 1HG1 ILE 40 2HG1 ILE 40 6.785 -2.383 1.125 367 2HG1 ILE 40 1HG1 ILE 40 5.511 -1.357 0.489 368 1HG2 ILE 40 1HG2 ILE 40 9.459 -0.977 1.020 369 2HG2 ILE 40 2HG2 ILE 40 9.346 -0.197 -0.552 370 3HG2 ILE 40 3HG2 ILE 40 8.891 -1.888 -0.375 371 1HD1 ILE 40 1HD1 ILE 40 5.636 -2.785 -1.246 372 2HD1 ILE 40 2HD1 ILE 40 7.304 -3.235 -0.893 373 3HD1 ILE 40 3HD1 ILE 40 6.956 -1.724 -1.733 374 H ALA 41 H ALA 41 5.268 -1.117 2.508 375 HA ALA 41 HA ALA 41 3.312 0.846 1.919 376 1HB ALA 41 1HB ALA 41 3.343 -1.753 3.130 377 2HB ALA 41 2HB ALA 41 2.026 -0.928 2.294 378 3HB ALA 41 3HB ALA 41 2.274 -0.674 4.020 379 H LYS 42 H LYS 42 4.798 -0.125 4.924 380 HA LYS 42 HA LYS 42 3.422 1.518 6.650 381 1HB LYS 42 2HB LYS 42 6.294 0.620 6.895 382 2HB LYS 42 1HB LYS 42 5.195 1.030 8.213 383 1HG LYS 42 2HG LYS 42 3.692 -0.835 7.331 384 2HG LYS 42 1HG LYS 42 5.072 -1.368 6.353 385 1HD LYS 42 2HD LYS 42 6.328 -1.888 8.284 386 2HD LYS 42 1HD LYS 42 5.268 -0.954 9.339 387 1HE LYS 42 2HE LYS 42 3.786 -3.000 7.935 388 2HE LYS 42 1HE LYS 42 5.141 -3.702 8.820 389 1HZ LYS 42 1HZ LYS 42 3.350 -1.764 10.135 390 2HZ LYS 42 2HZ LYS 42 4.321 -2.959 10.833 391 3HZ LYS 42 3HZ LYS 42 2.906 -3.393 10.016 392 H HIS 43 H HIS 43 6.467 2.100 4.948 393 HA HIS 43 HA HIS 43 6.771 4.808 5.745 394 1HB HIS 43 2HB HIS 43 7.736 3.170 3.422 395 2HB HIS 43 1HB HIS 43 7.995 4.898 3.461 396 HD1 HIS 43 1HD HIS 43 8.444 2.271 6.182 397 HD2 HIS 43 2HD HIS 43 10.573 5.247 4.214 398 HE1 HIS 43 1HE HIS 43 10.696 2.333 7.297 399 HE2 HIS 43 2HE HIS 43 11.945 4.187 6.135 400 H GLU 44 H GLU 44 5.268 3.161 3.048 401 HA GLU 44 HA GLU 44 4.463 5.240 1.471 402 1HB GLU 44 2HB GLU 44 3.210 2.597 1.970 403 2HB GLU 44 1HB GLU 44 2.575 3.742 0.802 404 1HG GLU 44 2HG GLU 44 4.440 3.558 -0.583 405 2HG GLU 44 1HG GLU 44 5.437 2.904 0.687 406 H GLY 45 H GLY 45 3.538 4.628 4.612 407 1HA GLY 45 2HA GLY 45 2.340 6.291 5.822 408 2HA GLY 45 1HA GLY 45 1.469 6.681 4.337 409 H VAL 46 H VAL 46 2.074 3.380 5.159 410 HA VAL 46 HA VAL 46 -0.596 3.011 6.263 411 HB VAL 46 HB VAL 46 -0.818 1.229 4.266 412 1HG1 VAL 46 1HG1 VAL 46 -2.113 3.497 5.121 413 2HG1 VAL 46 2HG1 VAL 46 -2.651 2.447 3.814 414 3HG1 VAL 46 3HG1 VAL 46 -1.711 3.891 3.452 415 1HG2 VAL 46 1HG2 VAL 46 -0.232 2.842 2.236 416 2HG2 VAL 46 2HG2 VAL 46 0.943 1.688 2.861 417 3HG2 VAL 46 3HG2 VAL 46 1.028 3.380 3.334 418 H ASP 47 H ASP 47 -1.155 0.670 6.597 419 HA ASP 47 HA ASP 47 1.037 -0.640 7.922 420 1HB ASP 47 2HB ASP 47 -1.662 -1.862 7.494 421 2HB ASP 47 1HB ASP 47 -0.565 -2.068 8.856 422 H LYS 48 H LYS 48 0.854 -3.210 7.703 423 HA LYS 48 HA LYS 48 2.028 -3.873 5.215 424 1HB LYS 48 2HB LYS 48 2.694 -4.952 7.297 425 2HB LYS 48 1HB LYS 48 1.091 -5.657 7.462 426 1HG LYS 48 2HG LYS 48 2.336 -6.286 4.910 427 2HG LYS 48 1HG LYS 48 3.281 -6.842 6.295 428 1HD LYS 48 2HD LYS 48 0.330 -7.365 6.052 429 2HD LYS 48 1HD LYS 48 1.536 -8.449 5.357 430 1HE LYS 48 2HE LYS 48 2.577 -8.379 7.742 431 2HE LYS 48 1HE LYS 48 0.973 -7.823 8.227 432 1HZ LYS 48 1HZ LYS 48 1.384 -10.290 6.641 433 2HZ LYS 48 2HZ LYS 48 0.001 -9.813 7.491 434 3HZ LYS 48 3HZ LYS 48 1.388 -10.293 8.332 435 H GLU 49 H GLU 49 -1.232 -4.123 6.423 436 HA GLU 49 HA GLU 49 -2.111 -6.080 4.527 437 1HB GLU 49 2HB GLU 49 -3.535 -4.120 6.312 438 2HB GLU 49 1HB GLU 49 -4.419 -5.084 5.142 439 1HG GLU 49 2HG GLU 49 -4.373 -6.005 7.456 440 2HG GLU 49 1HG GLU 49 -3.802 -7.107 6.204 441 H LEU 50 H LEU 50 -2.162 -2.600 4.669 442 HA LEU 50 HA LEU 50 -3.479 -2.110 2.252 443 1HB LEU 50 2HB LEU 50 -1.828 0.006 3.371 444 2HB LEU 50 1HB LEU 50 -3.521 0.024 2.954 445 HG LEU 50 HG LEU 50 -2.236 -0.789 5.543 446 1HD1 LEU 50 1HD1 LEU 50 -4.049 1.344 4.579 447 2HD1 LEU 50 2HD1 LEU 50 -2.735 1.415 5.753 448 3HD1 LEU 50 3HD1 LEU 50 -4.298 0.740 6.216 449 1HD2 LEU 50 1HD2 LEU 50 -5.061 -1.082 5.694 450 2HD2 LEU 50 2HD2 LEU 50 -3.806 -2.277 6.007 451 3HD2 LEU 50 3HD2 LEU 50 -4.464 -2.099 4.385 452 H VAL 51 H VAL 51 -0.724 -3.648 2.157 453 HA VAL 51 HA VAL 51 0.672 -1.652 0.516 454 HB VAL 51 HB VAL 51 1.876 -4.322 0.814 455 1HG1 VAL 51 1HG1 VAL 51 3.360 -2.924 -0.146 456 2HG1 VAL 51 2HG1 VAL 51 3.758 -2.591 1.537 457 3HG1 VAL 51 3HG1 VAL 51 2.703 -1.494 0.648 458 1HG2 VAL 51 1HG2 VAL 51 1.295 -4.413 2.995 459 2HG2 VAL 51 2HG2 VAL 51 1.104 -2.672 3.154 460 3HG2 VAL 51 3HG2 VAL 51 2.713 -3.392 3.155 461 H ILE 52 H ILE 52 0.269 -1.573 -1.540 462 HA ILE 52 HA ILE 52 0.336 -4.044 -3.096 463 HB ILE 52 HB ILE 52 -1.257 -2.822 -4.753 464 1HG1 ILE 52 2HG1 ILE 52 -1.891 -1.455 -2.139 465 2HG1 ILE 52 1HG1 ILE 52 -1.506 -0.718 -3.686 466 1HG2 ILE 52 1HG2 ILE 52 -1.674 -4.674 -2.605 467 2HG2 ILE 52 2HG2 ILE 52 -2.408 -4.633 -4.207 468 3HG2 ILE 52 3HG2 ILE 52 -3.137 -3.730 -2.883 469 1HD1 ILE 52 1HD1 ILE 52 -3.660 -0.553 -4.123 470 2HD1 ILE 52 2HD1 ILE 52 -4.049 -1.379 -2.613 471 3HD1 ILE 52 3HD1 ILE 52 -3.792 -2.311 -4.088 472 H VAL 53 H VAL 53 2.356 -3.750 -4.059 473 HA VAL 53 HA VAL 53 2.663 -1.167 -5.438 474 HB VAL 53 HB VAL 53 4.837 -0.791 -4.753 475 1HG1 VAL 53 1HG1 VAL 53 4.951 -1.193 -2.266 476 2HG1 VAL 53 2HG1 VAL 53 3.431 -2.070 -2.416 477 3HG1 VAL 53 3HG1 VAL 53 3.505 -0.360 -2.839 478 1HG2 VAL 53 1HG2 VAL 53 5.013 -3.691 -3.993 479 2HG2 VAL 53 2HG2 VAL 53 6.242 -2.494 -3.583 480 3HG2 VAL 53 3HG2 VAL 53 5.885 -2.847 -5.273 481 H ASP 54 H ASP 54 2.671 -1.477 -7.507 482 HA ASP 54 HA ASP 54 3.982 -3.870 -8.618 483 1HB ASP 54 2HB ASP 54 1.622 -2.294 -9.658 484 2HB ASP 54 1HB ASP 54 2.448 -3.546 -10.582 485 H ASN 55 H ASN 55 5.081 -3.639 -10.635 486 HA ASN 55 HA ASN 55 6.569 -2.650 -12.033 487 1HB ASN 55 2HB ASN 55 4.295 -1.269 -12.375 488 2HB ASN 55 1HB ASN 55 5.316 0.032 -11.770 489 1HD2 ASN 55 1HD2 ASN 55 4.475 0.475 -14.168 490 2HD2 ASN 55 2HD2 ASN 55 5.670 0.152 -15.374 491 H ASN 56 H ASN 56 8.509 -1.614 -11.945 492 HA ASN 56 HA ASN 56 9.037 0.177 -9.689 493 1HB ASN 56 2HB ASN 56 11.206 -1.109 -9.313 494 2HB ASN 56 1HB ASN 56 9.725 -1.878 -8.755 495 1HD2 ASN 56 1HD2 ASN 56 12.260 -1.922 -11.135 496 2HD2 ASN 56 2HD2 ASN 56 11.946 -3.512 -11.732 497 H LYS 57 H LYS 57 9.585 1.980 -10.786 498 HA LYS 57 HA LYS 57 11.122 1.897 -13.218 499 1HB LYS 57 2HB LYS 57 10.929 4.288 -13.230 500 2HB LYS 57 1HB LYS 57 9.380 3.652 -12.695 501 1HG LYS 57 2HG LYS 57 10.623 4.021 -10.315 502 2HG LYS 57 1HG LYS 57 11.339 5.317 -11.272 503 1HD LYS 57 2HD LYS 57 8.895 5.831 -11.963 504 2HD LYS 57 1HD LYS 57 8.461 4.865 -10.554 505 1HE LYS 57 2HE LYS 57 9.037 6.505 -9.121 506 2HE LYS 57 1HE LYS 57 10.534 6.844 -9.998 507 1HZ LYS 57 1HZ LYS 57 8.889 7.902 -11.701 508 2HZ LYS 57 2HZ LYS 57 9.381 8.767 -10.334 509 3HZ LYS 57 3HZ LYS 57 7.869 8.011 -10.355 510 H GLN 58 H GLN 58 13.248 1.476 -13.166 511 HA GLN 58 HA GLN 58 14.746 2.064 -10.737 512 1HB GLN 58 2HB GLN 58 14.786 -0.144 -12.141 513 2HB GLN 58 1HB GLN 58 15.943 0.731 -13.133 514 1HG GLN 58 2HG GLN 58 17.122 1.206 -10.866 515 2HG GLN 58 1HG GLN 58 16.182 -0.173 -10.301 516 1HE2 GLN 58 1HE2 GLN 58 16.340 -2.145 -11.692 517 2HE2 GLN 58 2HE2 GLN 58 17.895 -2.533 -12.337 518 H LEU 59 H LEU 59 16.190 3.629 -10.529 519 HA LEU 59 HA LEU 59 17.105 5.050 -12.937 520 1HB LEU 59 2HB LEU 59 17.428 6.784 -10.735 521 2HB LEU 59 1HB LEU 59 16.359 6.980 -12.106 522 HG LEU 59 HG LEU 59 15.142 7.275 -10.041 523 1HD1 LEU 59 1HD1 LEU 59 13.293 6.122 -10.667 524 2HD1 LEU 59 2HD1 LEU 59 14.172 4.610 -10.897 525 3HD1 LEU 59 3HD1 LEU 59 14.271 5.879 -12.115 526 1HD2 LEU 59 1HD2 LEU 59 16.810 5.360 -9.011 527 2HD2 LEU 59 2HD2 LEU 59 15.272 4.507 -9.137 528 3HD2 LEU 59 3HD2 LEU 59 15.374 6.008 -8.219 529 H THR 60 H THR 60 19.140 4.532 -13.265 530 HA THR 60 HA THR 60 20.750 3.334 -11.288 531 HB THR 60 HB THR 60 22.576 3.805 -13.100 532 HG1 THR 60 1HG THR 60 21.793 4.361 -15.047 533 1HG2 THR 60 1HG2 THR 60 20.460 2.109 -14.214 534 2HG2 THR 60 2HG2 THR 60 20.982 1.726 -12.573 535 3HG2 THR 60 3HG2 THR 60 22.157 1.756 -13.889 536 H GLY 61 H GLY 61 23.011 4.031 -10.892 537 1HA GLY 61 2HA GLY 61 24.374 6.175 -10.838 538 2HA GLY 61 1HA GLY 61 22.965 6.831 -10.012 539 H LYS 62 H LYS 62 22.670 4.016 -8.791 540 HA LYS 62 HA LYS 62 24.914 4.004 -6.934 541 1HB LYS 62 2HB LYS 62 23.342 5.497 -5.852 542 2HB LYS 62 1HB LYS 62 22.033 4.346 -6.074 543 1HG LYS 62 2HG LYS 62 22.697 3.045 -4.337 544 2HG LYS 62 1HG LYS 62 24.406 3.419 -4.566 545 1HD LYS 62 2HD LYS 62 24.045 5.648 -3.627 546 2HD LYS 62 1HD LYS 62 22.334 5.281 -3.406 547 1HE LYS 62 2HE LYS 62 23.035 4.742 -1.323 548 2HE LYS 62 1HE LYS 62 23.390 3.200 -2.102 549 1HZ LYS 62 1HZ LYS 62 25.327 3.722 -0.961 550 2HZ LYS 62 2HZ LYS 62 25.260 5.364 -1.367 551 3HZ LYS 62 3HZ LYS 62 25.675 4.218 -2.541 552 H HIS 63 H HIS 63 21.746 2.495 -6.475 553 HA HIS 63 HA HIS 63 21.954 0.095 -7.722 554 1HB HIS 63 2HB HIS 63 23.893 0.266 -5.531 555 2HB HIS 63 1HB HIS 63 22.836 -1.135 -5.408 556 HD1 HIS 63 1HD HIS 63 22.594 -2.014 -8.286 557 HD2 HIS 63 2HD HIS 63 26.168 -0.723 -6.606 558 HE1 HIS 63 1HE HIS 63 24.407 -3.019 -9.708 559 HE2 HIS 63 2HE HIS 63 26.561 -2.297 -8.620 560 H GLU 64 H GLU 64 19.978 1.843 -6.658 561 HA GLU 64 HA GLU 64 18.543 0.007 -4.915 562 1HB GLU 64 2HB GLU 64 18.539 3.025 -4.785 563 2HB GLU 64 1HB GLU 64 17.659 1.931 -3.719 564 1HG GLU 64 2HG GLU 64 19.563 1.241 -2.619 565 2HG GLU 64 1HG GLU 64 20.601 1.590 -3.981 566 H ILE 65 H ILE 65 16.174 0.155 -5.208 567 HA ILE 65 HA ILE 65 15.632 0.840 -8.019 568 HB ILE 65 HB ILE 65 15.461 -1.572 -7.086 569 1HG1 ILE 65 2HG1 ILE 65 13.168 -0.372 -8.649 570 2HG1 ILE 65 1HG1 ILE 65 14.708 -0.897 -9.327 571 1HG2 ILE 65 1HG2 ILE 65 14.050 -0.756 -5.143 572 2HG2 ILE 65 2HG2 ILE 65 13.530 -2.224 -5.974 573 3HG2 ILE 65 3HG2 ILE 65 12.719 -0.691 -6.298 574 1HD1 ILE 65 1HD1 ILE 65 13.563 -2.776 -9.760 575 2HD1 ILE 65 2HD1 ILE 65 12.371 -2.468 -8.498 576 3HD1 ILE 65 3HD1 ILE 65 13.942 -3.153 -8.079 577 H GLU 66 H GLU 66 13.966 1.990 -8.614 578 HA GLU 66 HA GLU 66 12.320 3.266 -6.542 579 1HB GLU 66 2HB GLU 66 13.919 4.791 -7.619 580 2HB GLU 66 1HB GLU 66 13.291 4.354 -9.192 581 1HG GLU 66 2HG GLU 66 11.298 5.489 -8.855 582 2HG GLU 66 1HG GLU 66 11.521 5.533 -7.111 583 H GLY 67 H GLY 67 10.211 4.067 -7.356 584 1HA GLY 67 2HA GLY 67 8.990 3.288 -9.701 585 2HA GLY 67 1HA GLY 67 8.798 1.934 -8.598 586 H TYR 68 H TYR 68 6.538 2.266 -8.693 587 HA TYR 68 HA TYR 68 5.685 4.534 -7.023 588 1HB TYR 68 2HB TYR 68 4.734 3.661 -9.642 589 2HB TYR 68 1HB TYR 68 3.435 3.756 -8.458 590 HD1 TYR 68 1HD TYR 68 2.882 5.908 -7.394 591 HD2 TYR 68 2HD TYR 68 5.828 5.639 -10.451 592 HE1 TYR 68 1HE TYR 68 2.773 8.344 -7.704 593 HE2 TYR 68 2HE TYR 68 5.727 8.075 -10.771 594 HH TYR 68 HH TYR 68 3.288 9.976 -9.655 595 H THR 69 H THR 69 4.528 4.078 -5.329 596 HA THR 69 HA THR 69 3.792 1.270 -4.865 597 HB THR 69 HB THR 69 3.821 2.480 -2.378 598 HG1 THR 69 1HG THR 69 4.784 4.332 -3.597 599 1HG2 THR 69 1HG2 THR 69 4.982 0.568 -2.323 600 2HG2 THR 69 2HG2 THR 69 6.321 1.689 -2.400 601 3HG2 THR 69 3HG2 THR 69 5.785 0.861 -3.862 602 H LYS 70 H LYS 70 1.747 0.784 -4.032 603 HA LYS 70 HA LYS 70 -0.172 2.987 -3.778 604 1HB LYS 70 2HB LYS 70 -0.096 1.492 -6.015 605 2HB LYS 70 1HB LYS 70 -1.221 0.580 -5.032 606 1HG LYS 70 2HG LYS 70 -2.776 2.287 -4.972 607 2HG LYS 70 1HG LYS 70 -1.573 3.517 -5.365 608 1HD LYS 70 2HD LYS 70 -2.123 3.356 -7.514 609 2HD LYS 70 1HD LYS 70 -1.628 1.664 -7.509 610 1HE LYS 70 2HE LYS 70 -3.863 1.013 -6.761 611 2HE LYS 70 1HE LYS 70 -4.358 2.705 -6.754 612 1HZ LYS 70 1HZ LYS 70 -5.100 2.065 -8.794 613 2HZ LYS 70 2HZ LYS 70 -3.878 0.919 -9.023 614 3HZ LYS 70 3HZ LYS 70 -3.542 2.565 -9.225 615 H ILE 71 H ILE 71 -1.968 2.533 -2.393 616 HA ILE 71 HA ILE 71 -1.643 0.059 -0.865 617 HB ILE 71 HB ILE 71 -1.329 2.818 0.121 618 1HG1 ILE 71 2HG1 ILE 71 0.081 0.841 1.558 619 2HG1 ILE 71 1HG1 ILE 71 0.148 0.390 -0.137 620 1HG2 ILE 71 1HG2 ILE 71 -2.765 2.570 1.791 621 2HG2 ILE 71 2HG2 ILE 71 -1.620 1.398 2.427 622 3HG2 ILE 71 3HG2 ILE 71 -2.978 0.855 1.469 623 1HD1 ILE 71 1HD1 ILE 71 1.967 1.893 0.820 624 2HD1 ILE 71 2HD1 ILE 71 0.769 3.177 0.706 625 3HD1 ILE 71 3HD1 ILE 71 1.268 2.306 -0.740 626 H TYR 72 H TYR 72 -3.215 -0.809 0.243 627 HA TYR 72 HA TYR 72 -5.891 0.422 -0.042 628 1HB TYR 72 2HB TYR 72 -6.873 -1.857 -0.137 629 2HB TYR 72 1HB TYR 72 -5.882 -1.454 -1.531 630 HD1 TYR 72 1HD TYR 72 -3.237 -2.172 -1.002 631 HD2 TYR 72 2HD TYR 72 -6.752 -4.040 0.486 632 HE1 TYR 72 1HE TYR 72 -1.994 -4.270 -0.711 633 HE2 TYR 72 2HE TYR 72 -5.516 -6.144 0.782 634 HH TYR 72 HH TYR 72 -2.629 -6.550 1.107 635 H ALA 73 H ALA 73 -6.674 1.027 1.793 636 HA ALA 73 HA ALA 73 -5.690 -0.055 4.293 637 1HB ALA 73 1HB ALA 73 -6.948 2.420 3.412 638 2HB ALA 73 2HB ALA 73 -5.796 2.132 4.714 639 3HB ALA 73 3HB ALA 73 -7.516 1.849 4.981 640 H ASP 74 H ASP 74 -8.354 -0.615 2.267 641 HA ASP 74 HA ASP 74 -10.287 -1.173 4.298 642 1HB ASP 74 2HB ASP 74 -10.945 -0.510 2.029 643 2HB ASP 74 1HB ASP 74 -10.242 -1.991 1.391 644 H LYS 75 H LYS 75 -7.563 -2.864 3.296 645 HA LYS 75 HA LYS 75 -8.510 -5.520 3.340 646 1HB LYS 75 2HB LYS 75 -6.374 -4.998 2.366 647 2HB LYS 75 1HB LYS 75 -5.764 -4.403 3.898 648 1HG LYS 75 2HG LYS 75 -4.839 -6.559 3.544 649 2HG LYS 75 1HG LYS 75 -6.055 -6.708 4.816 650 1HD LYS 75 2HD LYS 75 -7.375 -8.039 3.569 651 2HD LYS 75 1HD LYS 75 -7.068 -7.125 2.092 652 1HE LYS 75 2HE LYS 75 -6.179 -9.345 1.833 653 2HE LYS 75 1HE LYS 75 -4.842 -8.202 1.942 654 1HZ LYS 75 1HZ LYS 75 -4.694 -10.343 3.289 655 2HZ LYS 75 2HZ LYS 75 -5.825 -9.635 4.329 656 3HZ LYS 75 3HZ LYS 75 -4.324 -8.896 4.084 657 HA PRO 76 HA PRO 76 -7.040 -5.659 7.973 658 1HB PRO 76 2HB PRO 76 -6.915 -3.231 9.235 659 2HB PRO 76 1HB PRO 76 -5.519 -4.041 8.516 660 1HG PRO 76 2HG PRO 76 -7.230 -1.858 7.392 661 2HG PRO 76 1HG PRO 76 -5.464 -2.032 7.351 662 1HD PRO 76 2HD PRO 76 -6.985 -2.636 5.224 663 2HD PRO 76 1HD PRO 76 -5.534 -3.574 5.622 664 H SER 77 H SER 77 -9.077 -2.822 7.243 665 HA SER 77 HA SER 77 -10.828 -3.046 9.393 666 1HB SER 77 2HB SER 77 -10.936 -1.785 6.707 667 2HB SER 77 1HB SER 77 -12.480 -2.042 7.518 668 HG SER 77 HG SER 77 -11.971 -0.586 8.976 669 H ALA 78 H ALA 78 -11.014 -4.497 6.167 670 HA ALA 78 HA ALA 78 -13.477 -5.845 6.657 671 1HB ALA 78 1HB ALA 78 -12.210 -5.203 4.412 672 2HB ALA 78 2HB ALA 78 -13.353 -6.546 4.497 673 3HB ALA 78 3HB ALA 78 -11.619 -6.857 4.580 674 H MET 79 H MET 79 -10.098 -6.992 6.451 675 HA MET 79 HA MET 79 -10.672 -9.665 7.108 676 1HB MET 79 2HB MET 79 -8.530 -8.595 6.105 677 2HB MET 79 1HB MET 79 -8.052 -8.370 7.781 678 1HG MET 79 2HG MET 79 -7.071 -10.386 7.053 679 2HG MET 79 1HG MET 79 -8.406 -10.824 8.116 680 1HE MET 79 1HE MET 79 -6.543 -11.248 5.269 681 2HE MET 79 2HE MET 79 -7.593 -10.990 3.877 682 3HE MET 79 3HE MET 79 -7.314 -12.624 4.478 683 H LEU 80 H LEU 80 -10.173 -6.851 9.111 684 HA LEU 80 HA LEU 80 -9.741 -8.343 11.527 685 1HB LEU 80 2HB LEU 80 -8.771 -6.171 11.399 686 2HB LEU 80 1HB LEU 80 -10.304 -5.440 10.972 687 HG LEU 80 HG LEU 80 -10.130 -6.803 13.608 688 1HD1 LEU 80 1HD1 LEU 80 -8.109 -5.643 13.791 689 2HD1 LEU 80 2HD1 LEU 80 -9.299 -4.577 14.535 690 3HD1 LEU 80 3HD1 LEU 80 -8.723 -4.250 12.901 691 1HD2 LEU 80 1HD2 LEU 80 -11.687 -4.667 12.285 692 2HD2 LEU 80 2HD2 LEU 80 -11.374 -4.464 14.010 693 3HD2 LEU 80 3HD2 LEU 80 -12.201 -5.909 13.428 694 H TYR 81 H TYR 81 -12.491 -6.766 9.989 695 HA TYR 81 HA TYR 81 -14.199 -7.555 12.229 696 1HB TYR 81 2HB TYR 81 -14.137 -5.190 11.177 697 2HB TYR 81 1HB TYR 81 -15.118 -5.906 9.902 698 HD1 TYR 81 1HD TYR 81 -17.421 -6.435 10.265 699 HD2 TYR 81 2HD TYR 81 -15.007 -5.062 13.489 700 HE1 TYR 81 1HE TYR 81 -19.442 -6.098 11.627 701 HE2 TYR 81 2HE TYR 81 -17.021 -4.723 14.859 702 HH TYR 81 HH TYR 81 -19.304 -5.463 14.996 703 H GLU 82 H GLU 82 -13.227 -9.072 9.508 704 HA GLU 82 HA GLU 82 -15.877 -9.945 8.697 705 1HB GLU 82 2HB GLU 82 -13.168 -10.161 7.507 706 2HB GLU 82 1HB GLU 82 -14.347 -11.396 7.087 707 1HG GLU 82 2HG GLU 82 -15.851 -9.765 6.209 708 2HG GLU 82 1HG GLU 82 -14.843 -8.445 6.804 709 HA PRO 83 HA PRO 83 -14.688 -14.224 10.091 710 1HB PRO 83 2HB PRO 83 -12.263 -15.250 9.930 711 2HB PRO 83 1HB PRO 83 -13.149 -14.843 8.452 712 1HG PRO 83 2HG PRO 83 -10.994 -13.293 9.851 713 2HG PRO 83 1HG PRO 83 -11.174 -13.638 8.121 714 1HD PRO 83 2HD PRO 83 -11.972 -11.288 9.337 715 2HD PRO 83 1HD PRO 83 -12.623 -11.913 7.811 716 H ASP 84 H ASP 84 -12.181 -12.056 11.341 717 HA ASP 84 HA ASP 84 -12.151 -13.574 13.850 718 1HB ASP 84 2HB ASP 84 -10.129 -12.290 14.395 719 2HB ASP 84 1HB ASP 84 -9.970 -13.119 12.850 720 H TYR 85 H TYR 85 -13.517 -10.753 12.530 721 HA TYR 85 HA TYR 85 -14.592 -8.954 13.430 722 1HB TYR 85 2HB TYR 85 -15.099 -11.206 15.287 723 2HB TYR 85 1HB TYR 85 -15.495 -9.597 15.882 724 HD1 TYR 85 1HD TYR 85 -17.412 -8.437 15.094 725 HD2 TYR 85 2HD TYR 85 -16.204 -12.056 13.215 726 HE1 TYR 85 1HE TYR 85 -19.541 -8.502 13.868 727 HE2 TYR 85 2HE TYR 85 -18.330 -12.133 11.982 728 HH TYR 85 HH TYR 85 -20.569 -11.267 12.114 729 H GLU 86 H GLU 86 -14.747 -7.563 15.590 730 HA GLU 86 HA GLU 86 -12.714 -7.543 17.471 731 1HB GLU 86 2HB GLU 86 -11.618 -6.968 14.999 732 2HB GLU 86 1HB GLU 86 -11.873 -5.376 15.696 733 1HG GLU 86 2HG GLU 86 -10.202 -5.620 17.148 734 2HG GLU 86 1HG GLU 86 -10.684 -7.264 17.565 735 H LEU 87 H LEU 87 -12.214 -4.999 18.054 736 HA LEU 87 HA LEU 87 -14.841 -3.967 18.693 737 1HB LEU 87 2HB LEU 87 -12.250 -2.620 19.385 738 2HB LEU 87 1HB LEU 87 -13.777 -2.567 20.244 739 HG LEU 87 HG LEU 87 -12.360 -5.184 20.038 740 1HD1 LEU 87 1HD1 LEU 87 -10.605 -3.605 20.680 741 2HD1 LEU 87 2HD1 LEU 87 -11.034 -4.679 22.011 742 3HD1 LEU 87 3HD1 LEU 87 -11.619 -3.015 21.996 743 1HD2 LEU 87 1HD2 LEU 87 -13.286 -5.006 22.536 744 2HD2 LEU 87 2HD2 LEU 87 -14.282 -5.544 21.183 745 3HD2 LEU 87 3HD2 LEU 87 -14.387 -3.877 21.749 746 H ILE 88 H ILE 88 -12.190 -3.209 16.569 747 HA ILE 88 HA ILE 88 -12.141 -1.890 14.706 748 HB ILE 88 HB ILE 88 -14.829 -2.074 15.040 749 1HG1 ILE 88 2HG1 ILE 88 -14.722 -0.397 12.916 750 2HG1 ILE 88 1HG1 ILE 88 -13.022 -0.836 13.060 751 1HG2 ILE 88 1HG2 ILE 88 -14.509 0.881 14.801 752 2HG2 ILE 88 2HG2 ILE 88 -14.584 0.147 16.403 753 3HG2 ILE 88 3HG2 ILE 88 -15.920 -0.065 15.274 754 1HD1 ILE 88 1HD1 ILE 88 -13.500 -3.128 12.750 755 2HD1 ILE 88 2HD1 ILE 88 -14.395 -2.249 11.510 756 3HD1 ILE 88 3HD1 ILE 88 -15.232 -2.864 12.936 757 H ARG 89 H ARG 89 -11.600 -1.113 17.682 758 HA ARG 89 HA ARG 89 -11.104 1.736 17.114 759 1HB ARG 89 2HB ARG 89 -12.395 0.456 19.388 760 2HB ARG 89 1HB ARG 89 -11.044 1.466 19.885 761 1HG ARG 89 2HG ARG 89 -12.748 2.983 19.935 762 2HG ARG 89 1HG ARG 89 -12.161 3.214 18.287 763 1HD ARG 89 2HD ARG 89 -13.905 1.737 17.445 764 2HD ARG 89 1HD ARG 89 -14.475 1.456 19.089 765 HE ARG 89 HE ARG 89 -15.550 3.478 19.029 766 1HH1 ARG 89 1HH1 ARG 89 -13.278 3.323 16.385 767 2HH1 ARG 89 2HH1 ARG 89 -13.848 4.782 15.647 768 1HH2 ARG 89 1HH2 ARG 89 -16.301 5.395 18.058 769 2HH2 ARG 89 2HH2 ARG 89 -15.564 5.958 16.595 770 H ASN 90 H ASN 90 -9.387 -0.534 16.528 771 HA ASN 90 HA ASN 90 -7.237 -0.285 18.492 772 1HB ASN 90 2HB ASN 90 -7.920 -2.536 17.627 773 2HB ASN 90 1HB ASN 90 -7.348 -2.044 16.035 774 1HD2 ASN 90 1HD2 ASN 90 -6.066 -1.674 19.323 775 2HD2 ASN 90 2HD2 ASN 90 -4.527 -2.384 18.986 776 H GLY 91 H GLY 91 -8.023 0.523 15.173 777 1HA GLY 91 2HA GLY 91 -5.369 1.353 14.470 778 2HA GLY 91 1HA GLY 91 -6.834 1.655 13.547 779 H LEU 92 H LEU 92 -4.399 3.252 14.752 780 HA LEU 92 HA LEU 92 -5.990 5.647 15.237 781 1HB LEU 92 2HB LEU 92 -4.746 6.254 17.238 782 2HB LEU 92 1HB LEU 92 -5.604 4.741 17.469 783 HG LEU 92 HG LEU 92 -2.840 4.403 16.545 784 1HD1 LEU 92 1HD1 LEU 92 -1.996 4.828 18.912 785 2HD1 LEU 92 2HD1 LEU 92 -3.450 5.801 19.128 786 3HD1 LEU 92 3HD1 LEU 92 -2.274 6.237 17.889 787 1HD2 LEU 92 1HD2 LEU 92 -4.730 2.818 17.647 788 2HD2 LEU 92 2HD2 LEU 92 -3.786 3.241 19.075 789 3HD2 LEU 92 3HD2 LEU 92 -3.000 2.476 17.695 790 H LYS 93 H LYS 93 -4.964 7.551 14.678 791 HA LYS 93 HA LYS 93 -2.173 7.443 13.831 792 1HB LYS 93 2HB LYS 93 -4.513 7.848 12.026 793 2HB LYS 93 1HB LYS 93 -3.058 8.785 11.719 794 1HG LYS 93 2HG LYS 93 -2.066 6.257 12.057 795 2HG LYS 93 1HG LYS 93 -3.607 5.960 11.251 796 1HD LYS 93 2HD LYS 93 -2.984 7.549 9.489 797 2HD LYS 93 1HD LYS 93 -1.439 7.832 10.295 798 1HE LYS 93 2HE LYS 93 -2.072 5.011 9.756 799 2HE LYS 93 1HE LYS 93 -1.834 6.012 8.323 800 1HZ LYS 93 1HZ LYS 93 0.346 6.277 8.762 801 2HZ LYS 93 2HZ LYS 93 0.155 4.837 9.629 802 3HZ LYS 93 3HZ LYS 93 0.133 6.323 10.440 803 H GLN 94 H GLN 94 -2.963 8.690 16.060 804 HA GLN 94 HA GLN 94 -3.898 11.284 15.979 805 1HB GLN 94 2HB GLN 94 -2.497 9.634 17.845 806 2HB GLN 94 1HB GLN 94 -1.771 11.235 17.851 807 1HG GLN 94 2HG GLN 94 -4.681 10.603 18.285 808 2HG GLN 94 1HG GLN 94 -3.513 11.058 19.526 809 1HE2 GLN 94 1HE2 GLN 94 -5.973 12.379 18.879 810 2HE2 GLN 94 2HE2 GLN 94 -5.573 13.985 18.384 811 H LYS 95 H LYS 95 -0.433 10.539 16.214 812 HA LYS 95 HA LYS 95 0.348 12.099 14.023 813 1HB LYS 95 2HB LYS 95 -0.645 13.830 15.641 814 2HB LYS 95 1HB LYS 95 0.782 13.547 16.624 815 1HG LYS 95 2HG LYS 95 0.784 14.511 13.768 816 2HG LYS 95 1HG LYS 95 1.025 15.518 15.197 817 1HD LYS 95 2HD LYS 95 2.985 14.007 15.754 818 2HD LYS 95 1HD LYS 95 2.812 13.349 14.126 819 1HE LYS 95 2HE LYS 95 3.562 16.127 14.968 820 2HE LYS 95 1HE LYS 95 4.442 15.017 13.918 821 1HZ LYS 95 1HZ LYS 95 2.018 16.590 13.299 822 2HZ LYS 95 2HZ LYS 95 2.463 15.252 12.366 823 3HZ LYS 95 3HZ LYS 95 3.503 16.582 12.490 824 H GLU 96 H GLU 96 1.513 10.038 14.060 825 HA GLU 96 HA GLU 96 3.294 8.683 14.485 826 1HB GLU 96 2HB GLU 96 5.405 9.730 14.257 827 2HB GLU 96 1HB GLU 96 4.277 10.715 13.343 828 1HG GLU 96 2HG GLU 96 4.241 12.382 15.043 829 2HG GLU 96 1HG GLU 96 5.149 11.356 16.148 830 H ALA 97 H ALA 97 1.677 9.415 16.831 831 HA ALA 97 HA ALA 97 1.682 9.141 19.090 832 1HB ALA 97 1HB ALA 97 3.667 7.706 19.947 833 2HB ALA 97 2HB ALA 97 4.039 7.519 18.232 834 3HB ALA 97 3HB ALA 97 2.481 6.985 18.860 835 H LYS 98 H LYS 98 2.939 9.583 21.144 836 HA LYS 98 HA LYS 98 4.039 11.078 22.460 837 1HB LYS 98 2HB LYS 98 6.014 11.277 20.183 838 2HB LYS 98 1HB LYS 98 6.311 11.618 21.883 839 1HG LYS 98 2HG LYS 98 5.335 8.910 21.364 840 2HG LYS 98 1HG LYS 98 6.892 9.278 20.621 841 1HD LYS 98 2HD LYS 98 7.955 9.335 22.601 842 2HD LYS 98 1HD LYS 98 6.638 10.204 23.389 843 1HE LYS 98 2HE LYS 98 6.936 8.010 24.392 844 2HE LYS 98 1HE LYS 98 5.377 8.113 23.575 845 1HZ LYS 98 1HZ LYS 98 7.688 6.471 22.952 846 2HZ LYS 98 2HZ LYS 98 6.890 7.139 21.619 847 3HZ LYS 98 3HZ LYS 98 6.043 6.163 22.711 Start of MODEL 6 1 1H MET 1 H MET 1 17.251 -3.533 3.863 2 HA MET 1 HA MET 1 17.286 -2.580 1.084 3 1HB MET 1 2HB MET 1 15.227 -4.166 2.502 4 2HB MET 1 1HB MET 1 14.595 -2.778 1.626 5 1HG MET 1 2HG MET 1 15.241 -3.610 -0.421 6 2HG MET 1 1HG MET 1 16.493 -4.635 0.275 7 1HE MET 1 1HE MET 1 14.780 -6.247 2.653 8 2HE MET 1 2HE MET 1 16.117 -6.703 1.597 9 3HE MET 1 3HE MET 1 14.646 -7.675 1.626 10 H ASP 2 H ASP 2 16.176 -0.377 0.794 11 HA ASP 2 HA ASP 2 15.652 0.928 3.401 12 1HB ASP 2 2HB ASP 2 17.247 2.327 1.267 13 2HB ASP 2 1HB ASP 2 17.022 2.798 2.945 14 H LEU 3 H LEU 3 14.134 2.686 3.295 15 HA LEU 3 HA LEU 3 12.863 2.763 0.657 16 1HB LEU 3 2HB LEU 3 11.759 1.993 3.080 17 2HB LEU 3 1HB LEU 3 11.092 3.574 2.785 18 HG LEU 3 HG LEU 3 10.050 1.227 1.856 19 1HD1 LEU 3 1HD1 LEU 3 8.943 3.400 2.067 20 2HD1 LEU 3 2HD1 LEU 3 8.596 2.621 0.524 21 3HD1 LEU 3 3HD1 LEU 3 9.761 3.942 0.605 22 1HD2 LEU 3 1HD2 LEU 3 10.356 1.079 -0.502 23 2HD2 LEU 3 2HD2 LEU 3 11.955 1.047 0.230 24 3HD2 LEU 3 3HD2 LEU 3 11.354 2.522 -0.522 25 H ILE 4 H ILE 4 12.987 4.593 -0.400 26 HA ILE 4 HA ILE 4 13.103 7.100 1.180 27 HB ILE 4 HB ILE 4 13.502 7.064 -1.780 28 1HG1 ILE 4 2HG1 ILE 4 14.993 5.303 -1.122 29 2HG1 ILE 4 1HG1 ILE 4 15.963 6.742 -1.419 30 1HG2 ILE 4 1HG2 ILE 4 13.648 9.226 -1.171 31 2HG2 ILE 4 2HG2 ILE 4 15.313 8.792 -0.781 32 3HG2 ILE 4 3HG2 ILE 4 14.094 8.838 0.491 33 1HD1 ILE 4 1HD1 ILE 4 15.050 6.193 1.354 34 2HD1 ILE 4 2HD1 ILE 4 16.518 6.982 0.777 35 3HD1 ILE 4 3HD1 ILE 4 16.363 5.228 0.681 36 H ILE 5 H ILE 5 11.101 7.843 1.456 37 HA ILE 5 HA ILE 5 9.179 7.335 -0.686 38 HB ILE 5 HB ILE 5 7.416 7.645 1.003 39 1HG1 ILE 5 2HG1 ILE 5 8.805 8.894 2.665 40 2HG1 ILE 5 1HG1 ILE 5 7.874 7.562 3.328 41 1HG2 ILE 5 1HG2 ILE 5 9.252 5.465 1.827 42 2HG2 ILE 5 2HG2 ILE 5 8.582 5.511 0.199 43 3HG2 ILE 5 3HG2 ILE 5 7.505 5.431 1.594 44 1HD1 ILE 5 1HD1 ILE 5 9.731 6.848 4.284 45 2HD1 ILE 5 2HD1 ILE 5 10.703 8.032 3.408 46 3HD1 ILE 5 3HD1 ILE 5 10.350 6.466 2.677 47 H LYS 6 H LYS 6 7.814 8.658 -1.465 48 HA LYS 6 HA LYS 6 7.640 11.386 -0.488 49 1HB LYS 6 2HB LYS 6 8.823 10.722 -2.984 50 2HB LYS 6 1HB LYS 6 7.212 11.320 -3.356 51 1HG LYS 6 2HG LYS 6 9.277 12.779 -1.723 52 2HG LYS 6 1HG LYS 6 8.903 13.087 -3.420 53 1HD LYS 6 2HD LYS 6 6.433 13.235 -2.286 54 2HD LYS 6 1HD LYS 6 7.450 13.869 -0.990 55 1HE LYS 6 2HE LYS 6 8.404 15.073 -3.321 56 2HE LYS 6 1HE LYS 6 6.649 15.104 -3.473 57 1HZ LYS 6 1HZ LYS 6 8.374 16.510 -1.609 58 2HZ LYS 6 2HZ LYS 6 6.942 15.894 -0.951 59 3HZ LYS 6 3HZ LYS 6 6.876 16.965 -2.257 60 H GLU 7 H GLU 7 6.234 9.482 0.362 61 HA GLU 7 HA GLU 7 4.007 8.637 -1.128 62 1HB GLU 7 2HB GLU 7 4.791 8.303 1.719 63 2HB GLU 7 1HB GLU 7 3.427 7.490 0.970 64 1HG GLU 7 2HG GLU 7 6.063 6.559 1.059 65 2HG GLU 7 1HG GLU 7 4.766 5.896 0.099 66 H LYS 8 H LYS 8 1.916 9.155 -1.305 67 HA LYS 8 HA LYS 8 0.968 11.225 0.508 68 1HB LYS 8 2HB LYS 8 -0.068 11.142 -2.282 69 2HB LYS 8 1HB LYS 8 0.063 12.508 -1.185 70 1HG LYS 8 2HG LYS 8 2.444 11.196 -2.469 71 2HG LYS 8 1HG LYS 8 1.582 12.564 -3.178 72 1HD LYS 8 2HD LYS 8 1.972 13.681 -0.868 73 2HD LYS 8 1HD LYS 8 3.222 12.451 -0.679 74 1HE LYS 8 2HE LYS 8 4.562 13.891 -1.739 75 2HE LYS 8 1HE LYS 8 3.704 13.408 -3.202 76 1HZ LYS 8 1HZ LYS 8 3.588 15.892 -1.730 77 2HZ LYS 8 2HZ LYS 8 2.081 15.300 -2.221 78 3HZ LYS 8 3HZ LYS 8 3.292 15.588 -3.368 79 H ARG 9 H ARG 9 -0.630 10.321 1.700 80 HA ARG 9 HA ARG 9 -2.173 8.104 0.541 81 1HB ARG 9 2HB ARG 9 -1.089 7.626 2.656 82 2HB ARG 9 1HB ARG 9 -1.812 9.046 3.395 83 1HG ARG 9 2HG ARG 9 -4.003 7.647 2.514 84 2HG ARG 9 1HG ARG 9 -2.895 6.371 3.020 85 1HD ARG 9 2HD ARG 9 -4.204 6.942 4.916 86 2HD ARG 9 1HD ARG 9 -2.598 7.621 5.177 87 HE ARG 9 HE ARG 9 -4.005 9.651 4.026 88 1HH1 ARG 9 1HH1 ARG 9 -4.474 7.635 6.837 89 2HH1 ARG 9 2HH1 ARG 9 -5.335 8.850 7.720 90 1HH2 ARG 9 1HH2 ARG 9 -5.139 11.250 5.186 91 2HH2 ARG 9 2HH2 ARG 9 -5.715 10.901 6.783 92 H ASP 10 H ASP 10 -4.202 8.316 -0.043 93 HA ASP 10 HA ASP 10 -5.792 10.540 1.044 94 1HB ASP 10 2HB ASP 10 -4.940 10.644 -1.452 95 2HB ASP 10 1HB ASP 10 -6.271 9.527 -1.730 96 H ASN 11 H ASN 11 -7.424 9.695 2.236 97 HA ASN 11 HA ASN 11 -8.454 7.106 1.295 98 1HB ASN 11 2HB ASN 11 -8.244 8.282 4.060 99 2HB ASN 11 1HB ASN 11 -9.267 6.891 3.708 100 1HD2 ASN 11 1HD2 ASN 11 -7.854 5.859 5.290 101 2HD2 ASN 11 2HD2 ASN 11 -6.362 5.176 4.751 102 HA PRO 12 HA PRO 12 -12.348 9.370 1.060 103 1HB PRO 12 2HB PRO 12 -13.048 8.476 -1.343 104 2HB PRO 12 1HB PRO 12 -11.660 9.560 -1.199 105 1HG PRO 12 2HG PRO 12 -11.719 6.661 -1.767 106 2HG PRO 12 1HG PRO 12 -10.479 7.859 -2.170 107 1HD PRO 12 2HD PRO 12 -10.594 6.062 0.110 108 2HD PRO 12 1HD PRO 12 -9.269 7.124 -0.393 109 H ILE 13 H ILE 13 -13.787 7.077 -0.797 110 HA ILE 13 HA ILE 13 -15.162 5.879 1.396 111 HB ILE 13 HB ILE 13 -16.504 4.758 -0.162 112 1HG1 ILE 13 2HG1 ILE 13 -14.510 3.821 -1.455 113 2HG1 ILE 13 1HG1 ILE 13 -15.944 4.197 -2.391 114 1HG2 ILE 13 1HG2 ILE 13 -15.871 7.512 -0.599 115 2HG2 ILE 13 2HG2 ILE 13 -17.425 6.686 -0.724 116 3HG2 ILE 13 3HG2 ILE 13 -16.351 6.761 -2.121 117 1HD1 ILE 13 1HD1 ILE 13 -14.583 5.284 -3.764 118 2HD1 ILE 13 2HD1 ILE 13 -13.260 5.261 -2.598 119 3HD1 ILE 13 3HD1 ILE 13 -14.483 6.527 -2.521 120 H LEU 14 H LEU 14 -12.577 4.902 -0.798 121 HA LEU 14 HA LEU 14 -12.492 2.302 0.528 122 1HB LEU 14 2HB LEU 14 -11.743 1.322 -1.374 123 2HB LEU 14 1HB LEU 14 -12.698 2.625 -2.043 124 HG LEU 14 HG LEU 14 -10.810 2.664 -3.364 125 1HD1 LEU 14 1HD1 LEU 14 -11.274 4.860 -2.118 126 2HD1 LEU 14 2HD1 LEU 14 -9.762 4.691 -3.001 127 3HD1 LEU 14 3HD1 LEU 14 -9.782 4.510 -1.248 128 1HD2 LEU 14 1HD2 LEU 14 -8.722 2.618 -1.313 129 2HD2 LEU 14 2HD2 LEU 14 -8.824 1.770 -2.855 130 3HD2 LEU 14 3HD2 LEU 14 -9.662 1.132 -1.441 131 H LYS 15 H LYS 15 -11.087 5.000 1.304 132 HA LYS 15 HA LYS 15 -9.088 5.573 2.244 133 1HB LYS 15 2HB LYS 15 -8.312 3.852 3.879 134 2HB LYS 15 1HB LYS 15 -10.025 4.235 3.933 135 1HG LYS 15 2HG LYS 15 -9.082 1.875 2.376 136 2HG LYS 15 1HG LYS 15 -9.280 1.780 4.122 137 1HD LYS 15 2HD LYS 15 -11.566 3.046 2.840 138 2HD LYS 15 1HD LYS 15 -11.275 1.423 2.213 139 1HE LYS 15 2HE LYS 15 -12.791 1.785 4.314 140 2HE LYS 15 1HE LYS 15 -11.682 0.420 4.242 141 1HZ LYS 15 1HZ LYS 15 -10.683 2.909 5.402 142 2HZ LYS 15 2HZ LYS 15 -10.342 1.308 5.826 143 3HZ LYS 15 3HZ LYS 15 -11.795 2.020 6.316 144 H ARG 16 H ARG 16 -8.277 5.380 -0.302 145 HA ARG 16 HA ARG 16 -6.034 3.455 -0.330 146 1HB ARG 16 2HB ARG 16 -7.926 4.035 -2.274 147 2HB ARG 16 1HB ARG 16 -6.500 4.904 -2.815 148 1HG ARG 16 2HG ARG 16 -5.205 2.899 -2.857 149 2HG ARG 16 1HG ARG 16 -6.503 1.985 -2.084 150 1HD ARG 16 2HD ARG 16 -6.891 1.398 -4.251 151 2HD ARG 16 1HD ARG 16 -7.863 2.868 -4.181 152 HE ARG 16 HE ARG 16 -5.218 3.472 -4.981 153 1HH1 ARG 16 1HH1 ARG 16 -8.174 2.036 -6.156 154 2HH1 ARG 16 2HH1 ARG 16 -7.857 2.433 -7.812 155 1HH2 ARG 16 1HH2 ARG 16 -4.800 3.999 -7.159 156 2HH2 ARG 16 2HH2 ARG 16 -5.942 3.549 -8.380 157 H LYS 17 H LYS 17 -4.049 4.071 -1.314 158 HA LYS 17 HA LYS 17 -3.471 6.930 -0.959 159 1HB LYS 17 2HB LYS 17 -2.786 6.223 1.067 160 2HB LYS 17 1HB LYS 17 -2.421 4.601 0.512 161 1HG LYS 17 2HG LYS 17 -0.684 6.636 -0.597 162 2HG LYS 17 1HG LYS 17 -0.617 6.510 1.161 163 1HD LYS 17 2HD LYS 17 1.021 5.005 0.285 164 2HD LYS 17 1HD LYS 17 -0.330 4.046 0.880 165 1HE LYS 17 2HE LYS 17 -1.166 3.698 -1.307 166 2HE LYS 17 1HE LYS 17 -0.084 4.900 -1.989 167 1HZ LYS 17 1HZ LYS 17 0.475 2.153 -1.214 168 2HZ LYS 17 2HZ LYS 17 1.699 3.279 -0.998 169 3HZ LYS 17 3HZ LYS 17 1.031 3.035 -2.527 170 H GLU 18 H GLU 18 -1.695 7.780 -2.155 171 HA GLU 18 HA GLU 18 -0.614 6.009 -4.248 172 1HB GLU 18 2HB GLU 18 -0.951 8.744 -5.171 173 2HB GLU 18 1HB GLU 18 -1.454 7.242 -5.931 174 1HG GLU 18 2HG GLU 18 -3.482 7.240 -4.555 175 2HG GLU 18 1HG GLU 18 -2.980 8.766 -3.832 176 H ILE 19 H ILE 19 1.398 5.915 -3.728 177 HA ILE 19 HA ILE 19 2.805 8.381 -3.048 178 HB ILE 19 HB ILE 19 3.738 7.485 -1.170 179 1HG1 ILE 19 2HG1 ILE 19 4.600 5.420 -1.878 180 2HG1 ILE 19 1HG1 ILE 19 3.466 5.055 -0.576 181 1HG2 ILE 19 1HG2 ILE 19 1.323 7.900 -0.931 182 2HG2 ILE 19 2HG2 ILE 19 1.914 6.676 0.180 183 3HG2 ILE 19 3HG2 ILE 19 1.048 6.205 -1.275 184 1HD1 ILE 19 1HD1 ILE 19 2.917 3.520 -2.126 185 2HD1 ILE 19 2HD1 ILE 19 3.197 4.600 -3.476 186 3HD1 ILE 19 3HD1 ILE 19 1.776 4.800 -2.472 187 H LYS 20 H LYS 20 5.004 8.503 -3.448 188 HA LYS 20 HA LYS 20 5.914 6.645 -5.577 189 1HB LYS 20 2HB LYS 20 7.061 8.401 -6.473 190 2HB LYS 20 1HB LYS 20 5.900 9.348 -5.544 191 1HG LYS 20 2HG LYS 20 7.870 10.302 -4.887 192 2HG LYS 20 1HG LYS 20 7.654 9.084 -3.633 193 1HD LYS 20 2HD LYS 20 9.415 7.879 -4.319 194 2HD LYS 20 1HD LYS 20 9.036 8.112 -6.026 195 1HE LYS 20 2HE LYS 20 9.917 10.480 -5.748 196 2HE LYS 20 1HE LYS 20 10.543 9.959 -4.185 197 1HZ LYS 20 1HZ LYS 20 11.226 8.703 -6.788 198 2HZ LYS 20 2HZ LYS 20 11.879 8.303 -5.279 199 3HZ LYS 20 3HZ LYS 20 12.200 9.816 -5.965 200 H TYR 21 H TYR 21 7.597 5.164 -5.087 201 HA TYR 21 HA TYR 21 9.208 5.798 -2.702 202 1HB TYR 21 2HB TYR 21 8.689 3.825 -1.617 203 2HB TYR 21 1HB TYR 21 7.180 4.227 -2.387 204 HD1 TYR 21 1HD TYR 21 8.292 1.464 -1.411 205 HD2 TYR 21 2HD TYR 21 8.041 3.337 -5.222 206 HE1 TYR 21 1HE TYR 21 8.234 -0.743 -2.497 207 HE2 TYR 21 2HE TYR 21 7.988 1.139 -6.310 208 HH TYR 21 HH TYR 21 8.974 -1.502 -5.171 209 H VAL 22 H VAL 22 11.113 4.646 -2.337 210 HA VAL 22 HA VAL 22 12.256 3.116 -4.576 211 HB VAL 22 HB VAL 22 13.394 5.680 -3.618 212 1HG1 VAL 22 1HG1 VAL 22 15.738 4.977 -3.799 213 2HG1 VAL 22 2HG1 VAL 22 15.234 3.305 -4.036 214 3HG1 VAL 22 3HG1 VAL 22 14.945 4.101 -2.490 215 1HG2 VAL 22 1HG2 VAL 22 12.766 5.264 -5.961 216 2HG2 VAL 22 2HG2 VAL 22 13.964 3.975 -6.043 217 3HG2 VAL 22 3HG2 VAL 22 14.480 5.642 -5.799 218 H LEU 23 H LEU 23 13.298 1.306 -3.849 219 HA LEU 23 HA LEU 23 13.714 1.049 -1.002 220 1HB LEU 23 2HB LEU 23 12.094 -0.567 -1.885 221 2HB LEU 23 1HB LEU 23 13.184 -1.004 -3.179 222 HG LEU 23 HG LEU 23 14.716 -1.700 -1.070 223 1HD1 LEU 23 1HD1 LEU 23 12.909 -3.029 0.342 224 2HD1 LEU 23 2HD1 LEU 23 11.910 -1.646 -0.102 225 3HD1 LEU 23 3HD1 LEU 23 13.421 -1.398 0.774 226 1HD2 LEU 23 1HD2 LEU 23 12.809 -3.117 -2.818 227 2HD2 LEU 23 2HD2 LEU 23 13.319 -3.992 -1.376 228 3HD2 LEU 23 3HD2 LEU 23 14.523 -3.416 -2.527 229 H LYS 24 H LYS 24 15.849 0.977 -0.435 230 HA LYS 24 HA LYS 24 17.749 0.648 -2.631 231 1HB LYS 24 2HB LYS 24 18.436 1.507 0.169 232 2HB LYS 24 1HB LYS 24 19.347 1.792 -1.300 233 1HG LYS 24 2HG LYS 24 17.686 3.372 -2.069 234 2HG LYS 24 1HG LYS 24 16.687 3.040 -0.653 235 1HD LYS 24 2HD LYS 24 18.055 4.205 0.758 236 2HD LYS 24 1HD LYS 24 19.498 3.888 -0.210 237 1HE LYS 24 2HE LYS 24 17.470 5.509 -1.563 238 2HE LYS 24 1HE LYS 24 18.148 6.259 -0.117 239 1HZ LYS 24 1HZ LYS 24 19.685 6.930 -1.609 240 2HZ LYS 24 2HZ LYS 24 19.432 5.627 -2.654 241 3HZ LYS 24 3HZ LYS 24 20.369 5.421 -1.263 242 H PHE 25 H PHE 25 18.661 -1.204 -2.867 243 HA PHE 25 HA PHE 25 18.790 -2.972 -0.545 244 1HB PHE 25 2HB PHE 25 18.821 -4.715 -2.480 245 2HB PHE 25 1HB PHE 25 17.311 -4.038 -1.938 246 HD1 PHE 25 1HD PHE 25 19.718 -4.267 -4.651 247 HD2 PHE 25 2HD PHE 25 16.127 -2.402 -3.328 248 HE1 PHE 25 1HE PHE 25 19.239 -3.566 -6.956 249 HE2 PHE 25 2HE PHE 25 15.645 -1.702 -5.630 250 HZ PHE 25 HZ PHE 25 17.197 -2.281 -7.451 251 H ASP 26 H ASP 26 20.618 -3.816 0.023 252 HA ASP 26 HA ASP 26 23.034 -2.837 -1.183 253 1HB ASP 26 2HB ASP 26 24.151 -3.698 0.673 254 2HB ASP 26 1HB ASP 26 22.551 -3.312 1.300 255 H SER 27 H SER 27 24.915 -4.489 -1.472 256 HA SER 27 HA SER 27 24.404 -5.979 -3.762 257 1HB SER 27 2HB SER 27 26.670 -5.602 -1.940 258 2HB SER 27 1HB SER 27 26.663 -7.175 -2.737 259 HG SER 27 HG SER 27 26.881 -6.224 -4.657 260 H SER 28 H SER 28 25.729 -7.677 -0.954 261 HA SER 28 HA SER 28 24.318 -10.063 -1.631 262 1HB SER 28 2HB SER 28 25.351 -10.986 0.419 263 2HB SER 28 1HB SER 28 26.537 -10.158 -0.591 264 HG SER 28 HG SER 28 25.229 -9.023 1.660 265 H ARG 29 H ARG 29 22.209 -8.772 -1.555 266 HA ARG 29 HA ARG 29 21.129 -8.593 1.158 267 1HB ARG 29 2HB ARG 29 19.721 -6.980 0.419 268 2HB ARG 29 1HB ARG 29 20.913 -6.831 -0.860 269 1HG ARG 29 2HG ARG 29 19.265 -7.139 -2.307 270 2HG ARG 29 1HG ARG 29 19.167 -8.808 -1.760 271 1HD ARG 29 2HD ARG 29 17.648 -7.941 0.091 272 2HD ARG 29 1HD ARG 29 17.562 -6.442 -0.833 273 HE ARG 29 HE ARG 29 16.179 -8.861 -1.379 274 1HH1 ARG 29 1HH1 ARG 29 17.712 -6.158 -2.955 275 2HH1 ARG 29 2HH1 ARG 29 16.694 -6.232 -4.353 276 1HH2 ARG 29 1HH2 ARG 29 14.827 -8.952 -3.211 277 2HH2 ARG 29 2HH2 ARG 29 15.059 -7.819 -4.501 278 H THR 30 H THR 30 19.073 -9.480 1.665 279 HA THR 30 HA THR 30 18.367 -11.818 0.028 280 HB THR 30 HB THR 30 19.455 -12.281 2.252 281 HG1 THR 30 1HG THR 30 16.875 -13.246 1.636 282 1HG2 THR 30 1HG2 THR 30 18.236 -10.491 3.515 283 2HG2 THR 30 2HG2 THR 30 18.251 -12.084 4.270 284 3HG2 THR 30 3HG2 THR 30 16.805 -11.520 3.434 285 HA PRO 31 HA PRO 31 14.580 -9.434 -0.485 286 1HB PRO 31 2HB PRO 31 13.618 -12.089 -1.422 287 2HB PRO 31 1HB PRO 31 13.506 -10.511 -2.208 288 1HG PRO 31 2HG PRO 31 15.253 -12.355 -3.044 289 2HG PRO 31 1HG PRO 31 15.660 -10.630 -3.048 290 1HD PRO 31 2HD PRO 31 16.542 -12.782 -1.190 291 2HD PRO 31 1HD PRO 31 17.422 -11.351 -1.764 292 H SER 32 H SER 32 13.148 -9.054 1.098 293 HA SER 32 HA SER 32 12.210 -11.361 2.690 294 1HB SER 32 2HB SER 32 13.786 -9.295 3.615 295 2HB SER 32 1HB SER 32 12.164 -8.737 4.025 296 HG SER 32 HG SER 32 11.902 -10.939 4.946 297 H ARG 33 H ARG 33 10.034 -11.245 3.458 298 HA ARG 33 HA ARG 33 8.256 -9.864 1.683 299 1HB ARG 33 2HB ARG 33 7.988 -12.160 2.973 300 2HB ARG 33 1HB ARG 33 7.282 -11.124 4.205 301 1HG ARG 33 2HG ARG 33 5.713 -10.255 2.479 302 2HG ARG 33 1HG ARG 33 6.355 -11.463 1.363 303 1HD ARG 33 2HD ARG 33 5.718 -13.220 3.016 304 2HD ARG 33 1HD ARG 33 4.935 -11.966 3.974 305 HE ARG 33 HE ARG 33 3.798 -11.685 1.535 306 1HH1 ARG 33 1HH1 ARG 33 4.232 -14.405 3.677 307 2HH1 ARG 33 2HH1 ARG 33 2.794 -15.213 3.146 308 1HH2 ARG 33 1HH2 ARG 33 1.910 -12.746 0.835 309 2HH2 ARG 33 2HH2 ARG 33 1.476 -14.271 1.531 310 H GLU 34 H GLU 34 8.933 -9.692 5.144 311 HA GLU 34 HA GLU 34 7.262 -7.416 5.604 312 1HB GLU 34 2HB GLU 34 8.416 -9.370 7.174 313 2HB GLU 34 1HB GLU 34 9.315 -7.925 7.616 314 1HG GLU 34 2HG GLU 34 7.561 -6.985 8.651 315 2HG GLU 34 1HG GLU 34 6.398 -7.595 7.473 316 H GLU 35 H GLU 35 10.764 -7.877 5.247 317 HA GLU 35 HA GLU 35 11.570 -5.360 6.062 318 1HB GLU 35 2HB GLU 35 12.927 -7.481 5.357 319 2HB GLU 35 1HB GLU 35 12.972 -6.693 3.787 320 1HG GLU 35 2HG GLU 35 14.855 -5.790 4.603 321 2HG GLU 35 1HG GLU 35 13.735 -4.645 5.339 322 H ILE 36 H ILE 36 10.890 -6.361 2.675 323 HA ILE 36 HA ILE 36 11.242 -3.675 1.740 324 HB ILE 36 HB ILE 36 11.682 -5.591 0.276 325 1HG1 ILE 36 2HG1 ILE 36 10.268 -3.216 -0.372 326 2HG1 ILE 36 1HG1 ILE 36 11.360 -4.139 -1.392 327 1HG2 ILE 36 1HG2 ILE 36 10.023 -7.024 -0.569 328 2HG2 ILE 36 2HG2 ILE 36 8.718 -6.023 0.068 329 3HG2 ILE 36 3HG2 ILE 36 9.742 -6.940 1.168 330 1HD1 ILE 36 1HD1 ILE 36 9.591 -5.337 -2.374 331 2HD1 ILE 36 2HD1 ILE 36 9.072 -3.651 -2.327 332 3HD1 ILE 36 3HD1 ILE 36 8.444 -4.801 -1.146 333 H LYS 37 H LYS 37 8.427 -5.762 2.014 334 HA LYS 37 HA LYS 37 6.470 -3.884 1.309 335 1HB LYS 37 2HB LYS 37 6.183 -6.314 3.053 336 2HB LYS 37 1HB LYS 37 4.849 -5.408 2.358 337 1HG LYS 37 2HG LYS 37 6.169 -5.915 0.115 338 2HG LYS 37 1HG LYS 37 6.736 -7.287 1.069 339 1HD LYS 37 2HD LYS 37 4.611 -8.185 1.279 340 2HD LYS 37 1HD LYS 37 3.819 -6.636 0.981 341 1HE LYS 37 2HE LYS 37 5.410 -7.424 -1.290 342 2HE LYS 37 1HE LYS 37 4.271 -8.698 -0.854 343 1HZ LYS 37 1HZ LYS 37 2.460 -7.253 -1.122 344 2HZ LYS 37 2HZ LYS 37 3.453 -6.958 -2.461 345 3HZ LYS 37 3HZ LYS 37 3.440 -5.874 -1.163 346 H GLU 38 H GLU 38 7.326 -4.897 4.622 347 HA GLU 38 HA GLU 38 5.570 -2.988 5.732 348 1HB GLU 38 2HB GLU 38 6.140 -3.873 7.696 349 2HB GLU 38 1HB GLU 38 6.938 -5.088 6.719 350 1HG GLU 38 2HG GLU 38 9.012 -3.588 6.889 351 2HG GLU 38 1HG GLU 38 8.149 -2.777 8.193 352 H LEU 39 H LEU 39 8.968 -2.868 4.802 353 HA LEU 39 HA LEU 39 9.459 -0.307 5.935 354 1HB LEU 39 2HB LEU 39 11.370 -1.550 5.480 355 2HB LEU 39 1HB LEU 39 10.788 -2.028 3.901 356 HG LEU 39 HG LEU 39 11.191 0.828 4.058 357 1HD1 LEU 39 1HD1 LEU 39 12.986 -0.355 5.634 358 2HD1 LEU 39 2HD1 LEU 39 13.385 1.018 4.602 359 3HD1 LEU 39 3HD1 LEU 39 13.771 -0.621 4.078 360 1HD2 LEU 39 1HD2 LEU 39 10.864 -0.498 2.015 361 2HD2 LEU 39 2HD2 LEU 39 12.387 -1.326 2.327 362 3HD2 LEU 39 3HD2 LEU 39 12.377 0.404 1.986 363 H ILE 40 H ILE 40 8.216 -1.404 2.820 364 HA ILE 40 HA ILE 40 8.262 1.225 1.709 365 HB ILE 40 HB ILE 40 7.133 0.335 -0.221 366 1HG1 ILE 40 2HG1 ILE 40 6.863 -2.072 1.529 367 2HG1 ILE 40 1HG1 ILE 40 5.648 -1.305 0.514 368 1HG2 ILE 40 1HG2 ILE 40 9.082 -1.763 -0.001 369 2HG2 ILE 40 2HG2 ILE 40 9.682 -0.286 0.737 370 3HG2 ILE 40 3HG2 ILE 40 9.141 -0.276 -0.933 371 1HD1 ILE 40 1HD1 ILE 40 7.399 -2.066 -1.360 372 2HD1 ILE 40 2HD1 ILE 40 6.066 -3.078 -0.804 373 3HD1 ILE 40 3HD1 ILE 40 7.689 -3.313 -0.152 374 H ALA 41 H ALA 41 5.510 -0.851 2.704 375 HA ALA 41 HA ALA 41 3.572 1.110 2.169 376 1HB ALA 41 1HB ALA 41 2.440 -0.785 2.497 377 2HB ALA 41 2HB ALA 41 2.417 -0.269 4.181 378 3HB ALA 41 3HB ALA 41 3.638 -1.409 3.630 379 H LYS 42 H LYS 42 5.048 0.222 5.227 380 HA LYS 42 HA LYS 42 3.693 1.999 6.837 381 1HB LYS 42 2HB LYS 42 6.543 1.072 7.193 382 2HB LYS 42 1HB LYS 42 5.412 1.552 8.460 383 1HG LYS 42 2HG LYS 42 3.923 -0.330 7.727 384 2HG LYS 42 1HG LYS 42 5.223 -0.887 6.660 385 1HD LYS 42 2HD LYS 42 6.605 -1.426 8.487 386 2HD LYS 42 1HD LYS 42 5.642 -0.470 9.618 387 1HE LYS 42 2HE LYS 42 4.127 -2.573 8.253 388 2HE LYS 42 1HE LYS 42 5.440 -3.184 9.260 389 1HZ LYS 42 1HZ LYS 42 3.778 -1.125 10.459 390 2HZ LYS 42 2HZ LYS 42 4.420 -2.533 11.141 391 3HZ LYS 42 3HZ LYS 42 3.022 -2.616 10.193 392 H HIS 43 H HIS 43 6.794 2.424 5.190 393 HA HIS 43 HA HIS 43 7.109 5.172 5.839 394 1HB HIS 43 2HB HIS 43 8.201 3.327 3.754 395 2HB HIS 43 1HB HIS 43 8.441 5.050 3.579 396 HD1 HIS 43 1HD HIS 43 10.944 5.089 4.020 397 HD2 HIS 43 2HD HIS 43 8.786 3.237 7.048 398 HE1 HIS 43 1HE HIS 43 12.582 4.735 5.891 399 HE2 HIS 43 2HE HIS 43 11.233 3.697 7.747 400 H GLU 44 H GLU 44 5.456 3.344 3.386 401 HA GLU 44 HA GLU 44 4.913 5.405 1.626 402 1HB GLU 44 2HB GLU 44 3.833 2.705 1.980 403 2HB GLU 44 1HB GLU 44 2.999 3.821 0.908 404 1HG GLU 44 2HG GLU 44 4.773 3.954 -0.558 405 2HG GLU 44 1HG GLU 44 5.953 3.519 0.658 406 H GLY 45 H GLY 45 3.910 5.134 4.661 407 1HA GLY 45 2HA GLY 45 2.579 6.841 5.627 408 2HA GLY 45 1HA GLY 45 1.785 7.045 4.064 409 H VAL 46 H VAL 46 2.399 3.841 5.182 410 HA VAL 46 HA VAL 46 -0.305 3.524 6.214 411 HB VAL 46 HB VAL 46 -0.570 1.641 4.401 412 1HG1 VAL 46 1HG1 VAL 46 -1.131 4.198 3.140 413 2HG1 VAL 46 2HG1 VAL 46 -1.590 4.187 4.843 414 3HG1 VAL 46 3HG1 VAL 46 -2.246 2.977 3.747 415 1HG2 VAL 46 1HG2 VAL 46 0.320 2.881 2.226 416 2HG2 VAL 46 2HG2 VAL 46 1.324 1.722 3.092 417 3HG2 VAL 46 3HG2 VAL 46 1.557 3.449 3.337 418 H ASP 47 H ASP 47 -0.867 1.208 6.692 419 HA ASP 47 HA ASP 47 1.271 0.003 8.197 420 1HB ASP 47 2HB ASP 47 -1.430 -1.219 7.770 421 2HB ASP 47 1HB ASP 47 -0.372 -1.358 9.173 422 H LYS 48 H LYS 48 1.095 -2.573 8.185 423 HA LYS 48 HA LYS 48 2.339 -3.448 5.796 424 1HB LYS 48 2HB LYS 48 2.424 -5.641 6.896 425 2HB LYS 48 1HB LYS 48 2.969 -4.350 7.958 426 1HG LYS 48 2HG LYS 48 1.644 -5.472 9.413 427 2HG LYS 48 1HG LYS 48 0.430 -4.402 8.711 428 1HD LYS 48 2HD LYS 48 -0.728 -6.275 8.300 429 2HD LYS 48 1HD LYS 48 0.414 -6.524 6.978 430 1HE LYS 48 2HE LYS 48 0.543 -7.669 9.761 431 2HE LYS 48 1HE LYS 48 0.306 -8.545 8.248 432 1HZ LYS 48 1HZ LYS 48 2.538 -7.930 7.575 433 2HZ LYS 48 2HZ LYS 48 2.580 -8.742 9.059 434 3HZ LYS 48 3HZ LYS 48 2.765 -7.061 9.008 435 H GLU 49 H GLU 49 -0.948 -3.613 6.948 436 HA GLU 49 HA GLU 49 -1.782 -5.723 5.210 437 1HB GLU 49 2HB GLU 49 -3.030 -3.900 7.117 438 2HB GLU 49 1HB GLU 49 -4.034 -4.168 5.700 439 1HG GLU 49 2HG GLU 49 -3.007 -6.208 7.646 440 2HG GLU 49 1HG GLU 49 -4.680 -5.759 7.317 441 H LEU 50 H LEU 50 -1.790 -2.244 5.041 442 HA LEU 50 HA LEU 50 -3.091 -1.959 2.584 443 1HB LEU 50 2HB LEU 50 -1.365 0.220 3.407 444 2HB LEU 50 1HB LEU 50 -3.076 0.233 3.086 445 HG LEU 50 HG LEU 50 -1.640 -0.236 5.675 446 1HD1 LEU 50 1HD1 LEU 50 -2.183 1.963 5.626 447 2HD1 LEU 50 2HD1 LEU 50 -3.705 1.337 6.257 448 3HD1 LEU 50 3HD1 LEU 50 -3.550 1.717 4.541 449 1HD2 LEU 50 1HD2 LEU 50 -4.402 -0.542 6.138 450 2HD2 LEU 50 2HD2 LEU 50 -3.118 -1.721 6.398 451 3HD2 LEU 50 3HD2 LEU 50 -3.970 -1.676 4.861 452 H VAL 51 H VAL 51 -0.177 -3.399 2.859 453 HA VAL 51 HA VAL 51 1.178 -1.667 0.959 454 HB VAL 51 HB VAL 51 2.327 -4.330 1.471 455 1HG1 VAL 51 1HG1 VAL 51 4.157 -2.404 2.114 456 2HG1 VAL 51 2HG1 VAL 51 3.166 -1.606 0.896 457 3HG1 VAL 51 3HG1 VAL 51 3.949 -3.141 0.528 458 1HG2 VAL 51 1HG2 VAL 51 3.182 -3.142 3.726 459 2HG2 VAL 51 2HG2 VAL 51 1.830 -4.258 3.665 460 3HG2 VAL 51 3HG2 VAL 51 1.532 -2.521 3.669 461 H ILE 52 H ILE 52 0.780 -1.719 -1.080 462 HA ILE 52 HA ILE 52 0.723 -4.274 -2.487 463 HB ILE 52 HB ILE 52 -1.530 -2.504 -2.330 464 1HG1 ILE 52 2HG1 ILE 52 -1.353 -4.818 -4.218 465 2HG1 ILE 52 1HG1 ILE 52 -1.241 -5.104 -2.484 466 1HG2 ILE 52 1HG2 ILE 52 -0.347 -2.750 -5.088 467 2HG2 ILE 52 2HG2 ILE 52 -0.718 -1.273 -4.201 468 3HG2 ILE 52 3HG2 ILE 52 -2.025 -2.312 -4.763 469 1HD1 ILE 52 1HD1 ILE 52 -3.447 -5.075 -2.361 470 2HD1 ILE 52 2HD1 ILE 52 -3.552 -4.725 -4.085 471 3HD1 ILE 52 3HD1 ILE 52 -3.452 -3.403 -2.920 472 H VAL 53 H VAL 53 2.717 -4.142 -3.574 473 HA VAL 53 HA VAL 53 3.075 -1.672 -5.135 474 HB VAL 53 HB VAL 53 5.414 -1.500 -4.589 475 1HG1 VAL 53 1HG1 VAL 53 4.067 -1.818 -1.919 476 2HG1 VAL 53 2HG1 VAL 53 3.534 -0.575 -3.051 477 3HG1 VAL 53 3HG1 VAL 53 5.194 -0.570 -2.457 478 1HG2 VAL 53 1HG2 VAL 53 6.390 -2.939 -2.798 479 2HG2 VAL 53 2HG2 VAL 53 6.031 -3.793 -4.293 480 3HG2 VAL 53 3HG2 VAL 53 4.956 -3.958 -2.903 481 H ASP 54 H ASP 54 3.084 -2.185 -7.178 482 HA ASP 54 HA ASP 54 4.420 -4.663 -8.044 483 1HB ASP 54 2HB ASP 54 2.065 -3.236 -9.287 484 2HB ASP 54 1HB ASP 54 2.871 -4.640 -9.982 485 H ASN 55 H ASN 55 5.469 -4.670 -10.091 486 HA ASN 55 HA ASN 55 6.832 -3.911 -11.717 487 1HB ASN 55 2HB ASN 55 4.811 -1.739 -11.505 488 2HB ASN 55 1HB ASN 55 6.254 -1.431 -12.468 489 1HD2 ASN 55 1HD2 ASN 55 4.821 -1.291 -14.272 490 2HD2 ASN 55 2HD2 ASN 55 4.265 -2.729 -15.053 491 H ASN 56 H ASN 56 6.601 -0.587 -10.704 492 HA ASN 56 HA ASN 56 8.007 0.722 -9.401 493 1HB ASN 56 2HB ASN 56 9.993 -1.554 -9.339 494 2HB ASN 56 1HB ASN 56 9.967 -0.119 -8.321 495 1HD2 ASN 56 1HD2 ASN 56 10.009 -2.873 -7.504 496 2HD2 ASN 56 2HD2 ASN 56 8.582 -3.139 -6.569 497 H LYS 57 H LYS 57 8.727 2.280 -10.704 498 HA LYS 57 HA LYS 57 10.058 1.714 -13.178 499 1HB LYS 57 2HB LYS 57 9.850 4.008 -13.654 500 2HB LYS 57 1HB LYS 57 8.432 3.647 -12.682 501 1HG LYS 57 2HG LYS 57 10.199 4.425 -10.768 502 2HG LYS 57 1HG LYS 57 10.705 5.419 -12.132 503 1HD LYS 57 2HD LYS 57 8.403 6.233 -12.382 504 2HD LYS 57 1HD LYS 57 7.903 5.242 -11.012 505 1HE LYS 57 2HE LYS 57 8.613 6.777 -9.538 506 2HE LYS 57 1HE LYS 57 10.177 6.906 -10.345 507 1HZ LYS 57 1HZ LYS 57 9.361 8.535 -11.801 508 2HZ LYS 57 2HZ LYS 57 8.781 8.979 -10.274 509 3HZ LYS 57 3HZ LYS 57 7.748 8.234 -11.388 510 H GLN 58 H GLN 58 12.139 1.201 -13.284 511 HA GLN 58 HA GLN 58 13.945 1.987 -11.155 512 1HB GLN 58 2HB GLN 58 13.778 -0.322 -12.369 513 2HB GLN 58 1HB GLN 58 14.803 0.448 -13.574 514 1HG GLN 58 2HG GLN 58 16.035 1.058 -11.180 515 2HG GLN 58 1HG GLN 58 15.471 -0.596 -10.954 516 1HE2 GLN 58 1HE2 GLN 58 17.841 -0.936 -10.852 517 2HE2 GLN 58 2HE2 GLN 58 18.679 -1.234 -12.333 518 H LEU 59 H LEU 59 15.484 3.477 -11.260 519 HA LEU 59 HA LEU 59 16.078 4.729 -13.851 520 1HB LEU 59 2HB LEU 59 16.815 6.557 -11.840 521 2HB LEU 59 1HB LEU 59 15.542 6.732 -13.026 522 HG LEU 59 HG LEU 59 14.707 7.203 -10.809 523 1HD1 LEU 59 1HD1 LEU 59 13.495 4.557 -11.376 524 2HD1 LEU 59 2HD1 LEU 59 13.422 5.799 -12.624 525 3HD1 LEU 59 3HD1 LEU 59 12.726 6.106 -11.032 526 1HD2 LEU 59 1HD2 LEU 59 15.131 5.995 -8.974 527 2HD2 LEU 59 2HD2 LEU 59 16.432 5.288 -9.933 528 3HD2 LEU 59 3HD2 LEU 59 14.880 4.461 -9.803 529 H THR 60 H THR 60 18.002 4.085 -14.442 530 HA THR 60 HA THR 60 19.813 2.791 -12.793 531 HB THR 60 HB THR 60 21.433 3.243 -14.720 532 HG1 THR 60 1HG THR 60 20.209 5.114 -15.463 533 1HG2 THR 60 1HG2 THR 60 20.112 1.210 -14.448 534 2HG2 THR 60 2HG2 THR 60 20.322 1.669 -16.138 535 3HG2 THR 60 3HG2 THR 60 18.788 1.978 -15.324 536 H GLY 61 H GLY 61 22.112 3.356 -12.583 537 1HA GLY 61 2HA GLY 61 23.718 5.177 -12.353 538 2HA GLY 61 1HA GLY 61 22.395 6.161 -11.743 539 H LYS 62 H LYS 62 21.496 3.549 -10.351 540 HA LYS 62 HA LYS 62 23.486 3.367 -8.226 541 1HB LYS 62 2HB LYS 62 20.833 4.637 -7.994 542 2HB LYS 62 1HB LYS 62 21.206 3.469 -6.735 543 1HG LYS 62 2HG LYS 62 22.862 4.749 -5.842 544 2HG LYS 62 1HG LYS 62 23.271 5.495 -7.389 545 1HD LYS 62 2HD LYS 62 22.283 7.233 -6.195 546 2HD LYS 62 1HD LYS 62 20.962 6.630 -7.201 547 1HE LYS 62 2HE LYS 62 20.031 6.907 -5.060 548 2HE LYS 62 1HE LYS 62 20.323 5.174 -5.221 549 1HZ LYS 62 1HZ LYS 62 21.527 7.090 -3.419 550 2HZ LYS 62 2HZ LYS 62 22.622 6.016 -4.130 551 3HZ LYS 62 3HZ LYS 62 21.313 5.420 -3.242 552 H HIS 63 H HIS 63 22.193 1.793 -6.443 553 HA HIS 63 HA HIS 63 21.357 -0.531 -8.057 554 1HB HIS 63 2HB HIS 63 23.062 -0.366 -5.582 555 2HB HIS 63 1HB HIS 63 22.270 -1.865 -6.056 556 HD1 HIS 63 1HD HIS 63 24.375 -3.146 -6.649 557 HD2 HIS 63 2HD HIS 63 24.042 0.465 -8.677 558 HE1 HIS 63 1HE HIS 63 26.182 -3.188 -8.396 559 HE2 HIS 63 2HE HIS 63 26.009 -0.962 -9.563 560 H GLU 64 H GLU 64 19.571 1.478 -7.017 561 HA GLU 64 HA GLU 64 18.024 -0.152 -5.160 562 1HB GLU 64 2HB GLU 64 18.203 2.865 -5.188 563 2HB GLU 64 1HB GLU 64 17.349 1.864 -4.014 564 1HG GLU 64 2HG GLU 64 19.310 1.116 -3.023 565 2HG GLU 64 1HG GLU 64 20.279 1.475 -4.438 566 H ILE 65 H ILE 65 15.664 0.181 -5.422 567 HA ILE 65 HA ILE 65 15.121 0.849 -8.237 568 HB ILE 65 HB ILE 65 14.752 -1.539 -7.249 569 1HG1 ILE 65 2HG1 ILE 65 12.702 -0.098 -8.941 570 2HG1 ILE 65 1HG1 ILE 65 14.147 -0.928 -9.514 571 1HG2 ILE 65 1HG2 ILE 65 12.049 -0.457 -6.587 572 2HG2 ILE 65 2HG2 ILE 65 13.329 -0.492 -5.374 573 3HG2 ILE 65 3HG2 ILE 65 12.786 -1.992 -6.126 574 1HD1 ILE 65 1HD1 ILE 65 13.245 -3.051 -8.902 575 2HD1 ILE 65 2HD1 ILE 65 12.041 -2.185 -9.857 576 3HD1 ILE 65 3HD1 ILE 65 11.869 -2.289 -8.104 577 H GLU 66 H GLU 66 13.549 2.115 -8.813 578 HA GLU 66 HA GLU 66 12.076 3.589 -6.739 579 1HB GLU 66 2HB GLU 66 13.818 4.876 -7.966 580 2HB GLU 66 1HB GLU 66 12.992 4.503 -9.470 581 1HG GLU 66 2HG GLU 66 11.263 5.934 -9.044 582 2HG GLU 66 1HG GLU 66 11.493 5.852 -7.302 583 H GLY 67 H GLY 67 10.019 4.559 -7.531 584 1HA GLY 67 2HA GLY 67 8.671 3.954 -9.813 585 2HA GLY 67 1HA GLY 67 8.480 2.513 -8.835 586 H TYR 68 H TYR 68 6.249 2.894 -8.881 587 HA TYR 68 HA TYR 68 5.441 4.947 -6.938 588 1HB TYR 68 2HB TYR 68 3.160 4.731 -8.226 589 2HB TYR 68 1HB TYR 68 4.426 5.776 -8.863 590 HD1 TYR 68 1HD TYR 68 3.072 2.314 -9.160 591 HD2 TYR 68 2HD TYR 68 5.149 5.507 -11.059 592 HE1 TYR 68 1HE TYR 68 3.010 1.083 -11.288 593 HE2 TYR 68 2HE TYR 68 5.089 4.283 -13.192 594 HH TYR 68 HH TYR 68 4.845 2.040 -14.022 595 H THR 69 H THR 69 4.318 4.236 -5.288 596 HA THR 69 HA THR 69 3.634 1.371 -5.271 597 HB THR 69 HB THR 69 4.963 1.372 -3.453 598 HG1 THR 69 1HG THR 69 3.427 1.163 -2.074 599 1HG2 THR 69 1HG2 THR 69 4.746 4.328 -3.462 600 2HG2 THR 69 2HG2 THR 69 6.127 3.315 -3.777 601 3HG2 THR 69 3HG2 THR 69 5.505 3.457 -2.141 602 H LYS 70 H LYS 70 1.694 0.647 -4.429 603 HA LYS 70 HA LYS 70 -0.423 2.690 -4.077 604 1HB LYS 70 2HB LYS 70 -0.227 0.799 -6.093 605 2HB LYS 70 1HB LYS 70 -1.283 0.035 -4.928 606 1HG LYS 70 2HG LYS 70 -2.315 2.571 -5.084 607 2HG LYS 70 1HG LYS 70 -1.806 2.244 -6.741 608 1HD LYS 70 2HD LYS 70 -3.355 0.179 -5.235 609 2HD LYS 70 1HD LYS 70 -4.198 1.560 -5.940 610 1HE LYS 70 2HE LYS 70 -2.284 -0.020 -7.603 611 2HE LYS 70 1HE LYS 70 -3.908 -0.642 -7.312 612 1HZ LYS 70 1HZ LYS 70 -3.337 0.947 -9.333 613 2HZ LYS 70 2HZ LYS 70 -3.694 2.132 -8.181 614 3HZ LYS 70 3HZ LYS 70 -4.848 0.961 -8.572 615 H ILE 71 H ILE 71 -1.797 2.386 -2.264 616 HA ILE 71 HA ILE 71 -1.255 -0.089 -0.745 617 HB ILE 71 HB ILE 71 -0.625 2.603 0.084 618 1HG1 ILE 71 2HG1 ILE 71 0.317 0.575 1.855 619 2HG1 ILE 71 1HG1 ILE 71 0.456 -0.006 0.197 620 1HG2 ILE 71 1HG2 ILE 71 -2.649 1.222 1.610 621 2HG2 ILE 71 2HG2 ILE 71 -2.106 2.892 1.695 622 3HG2 ILE 71 3HG2 ILE 71 -1.228 1.630 2.545 623 1HD1 ILE 71 1HD1 ILE 71 2.090 1.441 -0.308 624 2HD1 ILE 71 2HD1 ILE 71 2.334 1.406 1.434 625 3HD1 ILE 71 3HD1 ILE 71 1.425 2.720 0.705 626 H TYR 72 H TYR 72 -2.758 -0.948 0.585 627 HA TYR 72 HA TYR 72 -5.447 0.272 0.339 628 1HB TYR 72 2HB TYR 72 -6.335 -2.084 0.709 629 2HB TYR 72 1HB TYR 72 -5.647 -1.705 -0.863 630 HD1 TYR 72 1HD TYR 72 -5.858 -4.155 1.536 631 HD2 TYR 72 2HD TYR 72 -2.961 -2.233 -0.916 632 HE1 TYR 72 1HE TYR 72 -4.415 -6.138 1.698 633 HE2 TYR 72 2HE TYR 72 -1.510 -4.210 -0.755 634 HH TYR 72 HH TYR 72 -1.883 -6.738 -0.312 635 H ALA 73 H ALA 73 -6.068 1.190 2.052 636 HA ALA 73 HA ALA 73 -5.222 0.382 4.705 637 1HB ALA 73 1HB ALA 73 -5.329 2.544 5.150 638 2HB ALA 73 2HB ALA 73 -7.037 2.591 4.711 639 3HB ALA 73 3HB ALA 73 -5.801 2.826 3.473 640 H ASP 74 H ASP 74 -7.731 -0.418 2.696 641 HA ASP 74 HA ASP 74 -9.931 -0.321 4.478 642 1HB ASP 74 2HB ASP 74 -11.122 -1.599 2.774 643 2HB ASP 74 1HB ASP 74 -10.207 -0.283 2.044 644 H LYS 75 H LYS 75 -7.307 -2.302 4.699 645 HA LYS 75 HA LYS 75 -8.118 -4.864 4.968 646 1HB LYS 75 2HB LYS 75 -6.549 -4.937 7.039 647 2HB LYS 75 1HB LYS 75 -5.898 -4.608 5.442 648 1HG LYS 75 2HG LYS 75 -5.119 -2.650 6.081 649 2HG LYS 75 1HG LYS 75 -6.659 -2.167 6.769 650 1HD LYS 75 2HD LYS 75 -4.707 -3.990 8.163 651 2HD LYS 75 1HD LYS 75 -4.736 -2.242 8.390 652 1HE LYS 75 2HE LYS 75 -6.679 -2.292 9.578 653 2HE LYS 75 1HE LYS 75 -7.287 -3.714 8.731 654 1HZ LYS 75 1HZ LYS 75 -5.060 -3.807 10.687 655 2HZ LYS 75 2HZ LYS 75 -5.890 -5.115 10.015 656 3HZ LYS 75 3HZ LYS 75 -6.678 -4.086 11.103 657 HA PRO 76 HA PRO 76 -9.816 -3.784 9.568 658 1HB PRO 76 2HB PRO 76 -11.659 -1.698 9.026 659 2HB PRO 76 1HB PRO 76 -10.226 -1.608 10.050 660 1HG PRO 76 2HG PRO 76 -10.585 -0.783 7.216 661 2HG PRO 76 1HG PRO 76 -9.552 -0.079 8.473 662 1HD PRO 76 2HD PRO 76 -8.501 -1.542 6.525 663 2HD PRO 76 1HD PRO 76 -7.896 -1.684 8.179 664 H SER 77 H SER 77 -11.539 -2.999 6.566 665 HA SER 77 HA SER 77 -13.883 -4.477 7.321 666 1HB SER 77 2HB SER 77 -12.982 -3.051 4.833 667 2HB SER 77 1HB SER 77 -14.383 -4.121 4.780 668 HG SER 77 HG SER 77 -14.046 -1.903 6.519 669 H ALA 78 H ALA 78 -10.946 -5.083 5.540 670 HA ALA 78 HA ALA 78 -11.782 -7.459 4.234 671 1HB ALA 78 1HB ALA 78 -9.704 -7.504 3.360 672 2HB ALA 78 2HB ALA 78 -8.927 -7.196 4.913 673 3HB ALA 78 3HB ALA 78 -9.628 -5.861 3.998 674 H MET 79 H MET 79 -9.809 -6.959 7.182 675 HA MET 79 HA MET 79 -9.688 -9.734 7.773 676 1HB MET 79 2HB MET 79 -8.798 -9.027 9.956 677 2HB MET 79 1HB MET 79 -7.999 -8.212 8.620 678 1HG MET 79 2HG MET 79 -9.315 -6.215 9.020 679 2HG MET 79 1HG MET 79 -10.180 -7.029 10.321 680 1HE MET 79 1HE MET 79 -8.064 -8.474 12.191 681 2HE MET 79 2HE MET 79 -9.438 -7.431 12.558 682 3HE MET 79 3HE MET 79 -7.858 -7.084 13.258 683 H LEU 80 H LEU 80 -11.707 -7.094 9.056 684 HA LEU 80 HA LEU 80 -13.129 -8.847 10.830 685 1HB LEU 80 2HB LEU 80 -13.704 -6.020 9.963 686 2HB LEU 80 1HB LEU 80 -14.568 -6.872 11.227 687 HG LEU 80 HG LEU 80 -11.640 -6.744 11.565 688 1HD1 LEU 80 1HD1 LEU 80 -11.382 -4.545 11.450 689 2HD1 LEU 80 2HD1 LEU 80 -12.701 -4.310 12.595 690 3HD1 LEU 80 3HD1 LEU 80 -13.038 -4.389 10.867 691 1HD2 LEU 80 1HD2 LEU 80 -13.479 -7.658 13.142 692 2HD2 LEU 80 2HD2 LEU 80 -13.743 -5.961 13.541 693 3HD2 LEU 80 3HD2 LEU 80 -12.165 -6.698 13.819 694 H TYR 81 H TYR 81 -13.873 -7.325 7.705 695 HA TYR 81 HA TYR 81 -16.451 -8.717 7.695 696 1HB TYR 81 2HB TYR 81 -15.684 -6.148 6.906 697 2HB TYR 81 1HB TYR 81 -16.014 -7.008 5.403 698 HD1 TYR 81 1HD TYR 81 -18.270 -8.391 5.405 699 HD2 TYR 81 2HD TYR 81 -17.441 -5.120 7.995 700 HE1 TYR 81 1HE TYR 81 -20.682 -8.052 5.740 701 HE2 TYR 81 2HE TYR 81 -19.852 -4.772 8.337 702 HH TYR 81 HH TYR 81 -21.987 -6.386 8.164 703 H GLU 82 H GLU 82 -13.453 -8.495 5.844 704 HA GLU 82 HA GLU 82 -12.528 -9.934 4.330 705 1HB GLU 82 2HB GLU 82 -14.902 -11.750 4.743 706 2HB GLU 82 1HB GLU 82 -13.314 -12.183 4.126 707 1HG GLU 82 2HG GLU 82 -13.109 -10.995 6.742 708 2HG GLU 82 1HG GLU 82 -14.217 -12.368 6.751 709 HA PRO 83 HA PRO 83 -14.446 -8.749 0.551 710 1HB PRO 83 2HB PRO 83 -13.228 -10.421 -1.201 711 2HB PRO 83 1HB PRO 83 -12.397 -9.059 -0.439 712 1HG PRO 83 2HG PRO 83 -12.342 -11.961 0.292 713 2HG PRO 83 1HG PRO 83 -11.002 -10.805 0.203 714 1HD PRO 83 2HD PRO 83 -12.165 -11.510 2.544 715 2HD PRO 83 1HD PRO 83 -11.484 -9.896 2.267 716 H ASP 84 H ASP 84 -14.947 -11.822 1.906 717 HA ASP 84 HA ASP 84 -16.527 -12.925 -0.220 718 1HB ASP 84 2HB ASP 84 -15.862 -13.718 2.580 719 2HB ASP 84 1HB ASP 84 -17.254 -14.467 1.801 720 H TYR 85 H TYR 85 -17.110 -10.429 1.875 721 HA TYR 85 HA TYR 85 -20.014 -10.832 1.654 722 1HB TYR 85 2HB TYR 85 -18.475 -9.817 4.048 723 2HB TYR 85 1HB TYR 85 -20.214 -9.613 3.862 724 HD1 TYR 85 1HD TYR 85 -18.049 -11.395 5.674 725 HD2 TYR 85 2HD TYR 85 -21.183 -12.120 2.889 726 HE1 TYR 85 1HE TYR 85 -18.407 -13.616 6.665 727 HE2 TYR 85 2HE TYR 85 -21.551 -14.343 3.874 728 HH TYR 85 HH TYR 85 -19.360 -15.805 5.986 729 H GLU 86 H GLU 86 -20.073 -9.498 -0.174 730 HA GLU 86 HA GLU 86 -19.469 -6.658 0.340 731 1HB GLU 86 2HB GLU 86 -18.524 -8.298 -1.717 732 2HB GLU 86 1HB GLU 86 -19.772 -7.313 -2.469 733 1HG GLU 86 2HG GLU 86 -17.959 -5.976 -2.780 734 2HG GLU 86 1HG GLU 86 -18.531 -5.363 -1.230 735 H LEU 87 H LEU 87 -21.205 -5.426 0.560 736 HA LEU 87 HA LEU 87 -23.804 -6.386 -0.271 737 1HB LEU 87 2HB LEU 87 -23.338 -5.209 1.914 738 2HB LEU 87 1HB LEU 87 -23.130 -3.733 0.992 739 HG LEU 87 HG LEU 87 -25.661 -5.171 0.507 740 1HD1 LEU 87 1HD1 LEU 87 -25.160 -3.765 3.126 741 2HD1 LEU 87 2HD1 LEU 87 -25.387 -5.501 2.923 742 3HD1 LEU 87 3HD1 LEU 87 -26.706 -4.390 2.552 743 1HD2 LEU 87 1HD2 LEU 87 -25.577 -2.340 1.313 744 2HD2 LEU 87 2HD2 LEU 87 -26.403 -3.116 -0.038 745 3HD2 LEU 87 3HD2 LEU 87 -24.682 -2.746 -0.153 746 H ILE 88 H ILE 88 -21.825 -3.490 -0.915 747 HA ILE 88 HA ILE 88 -22.837 -3.401 -3.631 748 HB ILE 88 HB ILE 88 -24.532 -2.128 -2.391 749 1HG1 ILE 88 2HG1 ILE 88 -23.687 0.207 -3.636 750 2HG1 ILE 88 1HG1 ILE 88 -22.862 -1.063 -4.533 751 1HG2 ILE 88 1HG2 ILE 88 -24.093 -0.306 -1.041 752 2HG2 ILE 88 2HG2 ILE 88 -22.503 -0.031 -1.749 753 3HG2 ILE 88 3HG2 ILE 88 -22.756 -1.387 -0.650 754 1HD1 ILE 88 1HD1 ILE 88 -25.438 -0.180 -4.930 755 2HD1 ILE 88 2HD1 ILE 88 -25.645 -1.698 -4.056 756 3HD1 ILE 88 3HD1 ILE 88 -24.730 -1.667 -5.563 757 H ARG 89 H ARG 89 -20.875 -1.826 -1.136 758 HA ARG 89 HA ARG 89 -18.941 -0.623 -1.235 759 1HB ARG 89 2HB ARG 89 -17.118 -1.739 -2.332 760 2HB ARG 89 1HB ARG 89 -18.184 -2.957 -1.647 761 1HG ARG 89 2HG ARG 89 -18.854 -3.724 -3.691 762 2HG ARG 89 1HG ARG 89 -18.589 -2.171 -4.484 763 1HD ARG 89 2HD ARG 89 -16.982 -4.041 -5.077 764 2HD ARG 89 1HD ARG 89 -16.268 -2.502 -4.602 765 HE ARG 89 HE ARG 89 -16.266 -4.984 -3.056 766 1HH1 ARG 89 1HH1 ARG 89 -15.343 -1.620 -3.297 767 2HH1 ARG 89 2HH1 ARG 89 -14.163 -1.731 -2.037 768 1HH2 ARG 89 1HH2 ARG 89 -14.718 -5.120 -1.399 769 2HH2 ARG 89 2HH2 ARG 89 -13.808 -3.713 -0.961 770 H ASN 90 H ASN 90 -20.897 0.649 -2.697 771 HA ASN 90 HA ASN 90 -19.343 1.768 -4.936 772 1HB ASN 90 2HB ASN 90 -22.074 0.738 -4.884 773 2HB ASN 90 1HB ASN 90 -21.985 2.384 -5.505 774 1HD2 ASN 90 1HD2 ASN 90 -21.109 2.757 -7.475 775 2HD2 ASN 90 2HD2 ASN 90 -20.558 1.511 -8.537 776 H GLY 91 H GLY 91 -19.980 4.047 -5.466 777 1HA GLY 91 2HA GLY 91 -20.617 5.503 -2.974 778 2HA GLY 91 1HA GLY 91 -19.448 6.069 -4.156 779 H LEU 92 H LEU 92 -22.173 4.659 -5.600 780 HA LEU 92 HA LEU 92 -23.931 5.494 -6.773 781 1HB LEU 92 2HB LEU 92 -24.390 6.378 -4.364 782 2HB LEU 92 1HB LEU 92 -23.939 7.933 -5.035 783 HG LEU 92 HG LEU 92 -26.336 7.727 -5.065 784 1HD1 LEU 92 1HD1 LEU 92 -24.943 8.634 -7.094 785 2HD1 LEU 92 2HD1 LEU 92 -26.697 8.472 -7.198 786 3HD1 LEU 92 3HD1 LEU 92 -25.653 7.249 -7.923 787 1HD2 LEU 92 1HD2 LEU 92 -25.718 5.030 -6.033 788 2HD2 LEU 92 2HD2 LEU 92 -27.047 5.824 -6.875 789 3HD2 LEU 92 3HD2 LEU 92 -27.109 5.622 -5.124 790 H LYS 93 H LYS 93 -23.841 6.355 -8.736 791 HA LYS 93 HA LYS 93 -22.529 8.937 -9.132 792 1HB LYS 93 2HB LYS 93 -21.026 6.802 -9.591 793 2HB LYS 93 1HB LYS 93 -21.914 6.789 -11.108 794 1HG LYS 93 2HG LYS 93 -21.061 9.446 -10.665 795 2HG LYS 93 1HG LYS 93 -19.683 8.385 -10.351 796 1HD LYS 93 2HD LYS 93 -21.226 7.691 -12.747 797 2HD LYS 93 1HD LYS 93 -20.447 9.274 -12.816 798 1HE LYS 93 2HE LYS 93 -18.458 7.718 -11.788 799 2HE LYS 93 1HE LYS 93 -19.274 6.588 -12.865 800 1HZ LYS 93 1HZ LYS 93 -18.753 9.233 -13.949 801 2HZ LYS 93 2HZ LYS 93 -18.623 7.717 -14.686 802 3HZ LYS 93 3HZ LYS 93 -17.389 8.270 -13.671 803 H GLN 94 H GLN 94 -24.083 10.138 -9.997 804 HA GLN 94 HA GLN 94 -26.024 8.917 -11.811 805 1HB GLN 94 2HB GLN 94 -27.319 10.967 -11.515 806 2HB GLN 94 1HB GLN 94 -26.893 10.270 -9.958 807 1HG GLN 94 2HG GLN 94 -24.817 11.989 -10.408 808 2HG GLN 94 1HG GLN 94 -26.183 12.847 -11.120 809 1HE2 GLN 94 1HE2 GLN 94 -24.965 13.952 -9.000 810 2HE2 GLN 94 2HE2 GLN 94 -25.958 13.838 -7.591 811 H LYS 95 H LYS 95 -23.476 9.143 -12.872 812 HA LYS 95 HA LYS 95 -22.357 9.872 -14.712 813 1HB LYS 95 2HB LYS 95 -24.629 9.390 -15.713 814 2HB LYS 95 1HB LYS 95 -24.970 11.109 -15.572 815 1HG LYS 95 2HG LYS 95 -22.569 11.110 -16.870 816 2HG LYS 95 1HG LYS 95 -23.346 9.666 -17.522 817 1HD LYS 95 2HD LYS 95 -24.227 11.177 -18.967 818 2HD LYS 95 1HD LYS 95 -25.408 11.365 -17.670 819 1HE LYS 95 2HE LYS 95 -24.489 13.366 -16.947 820 2HE LYS 95 1HE LYS 95 -22.926 13.034 -17.696 821 1HZ LYS 95 1HZ LYS 95 -23.846 14.613 -19.082 822 2HZ LYS 95 2HZ LYS 95 -25.414 13.990 -18.954 823 3HZ LYS 95 3HZ LYS 95 -24.253 13.178 -19.879 824 H GLU 96 H GLU 96 -22.730 11.644 -12.316 825 HA GLU 96 HA GLU 96 -21.198 13.807 -13.139 826 1HB GLU 96 2HB GLU 96 -22.828 15.657 -13.017 827 2HB GLU 96 1HB GLU 96 -23.137 14.586 -14.373 828 1HG GLU 96 2HG GLU 96 -24.692 13.489 -12.418 829 2HG GLU 96 1HG GLU 96 -24.793 15.212 -12.054 830 H ALA 97 H ALA 97 -20.099 13.590 -11.259 831 HA ALA 97 HA ALA 97 -21.114 14.837 -8.927 832 1HB ALA 97 1HB ALA 97 -20.798 12.655 -7.518 833 2HB ALA 97 2HB ALA 97 -21.189 11.858 -9.041 834 3HB ALA 97 3HB ALA 97 -22.335 12.989 -8.317 835 H LYS 98 H LYS 98 -18.849 12.204 -9.757 836 HA LYS 98 HA LYS 98 -16.765 13.551 -8.215 837 1HB LYS 98 2HB LYS 98 -17.338 11.006 -8.141 838 2HB LYS 98 1HB LYS 98 -16.393 10.930 -9.622 839 1HG LYS 98 2HG LYS 98 -14.891 12.416 -7.746 840 2HG LYS 98 1HG LYS 98 -15.493 10.975 -6.924 841 1HD LYS 98 2HD LYS 98 -14.683 9.903 -9.270 842 2HD LYS 98 1HD LYS 98 -13.535 11.234 -9.112 843 1HE LYS 98 2HE LYS 98 -12.460 9.483 -8.029 844 2HE LYS 98 1HE LYS 98 -13.211 10.372 -6.704 845 1HZ LYS 98 1HZ LYS 98 -15.146 8.650 -7.286 846 2HZ LYS 98 2HZ LYS 98 -13.932 8.326 -6.155 847 3HZ LYS 98 3HZ LYS 98 -13.804 7.719 -7.728 Start of MODEL 7 1 1H MET 1 H MET 1 17.281 -3.788 3.389 2 HA MET 1 HA MET 1 17.484 -2.563 0.746 3 1HB MET 1 2HB MET 1 14.840 -2.711 0.788 4 2HB MET 1 1HB MET 1 15.805 -4.040 0.165 5 1HG MET 1 2HG MET 1 15.655 -4.720 2.736 6 2HG MET 1 1HG MET 1 14.137 -3.846 2.554 7 1HE MET 1 1HE MET 1 16.339 -6.721 1.699 8 2HE MET 1 2HE MET 1 15.242 -7.962 1.093 9 3HE MET 1 3HE MET 1 15.118 -7.416 2.766 10 H ASP 2 H ASP 2 16.222 -0.429 0.611 11 HA ASP 2 HA ASP 2 15.706 0.701 3.300 12 1HB ASP 2 2HB ASP 2 18.052 1.229 2.128 13 2HB ASP 2 1HB ASP 2 17.075 2.466 1.343 14 H LEU 3 H LEU 3 14.179 2.474 3.316 15 HA LEU 3 HA LEU 3 12.785 2.576 0.739 16 1HB LEU 3 2HB LEU 3 11.838 1.700 3.147 17 2HB LEU 3 1HB LEU 3 11.231 3.331 3.103 18 HG LEU 3 HG LEU 3 9.866 1.250 2.160 19 1HD1 LEU 3 1HD1 LEU 3 9.443 3.846 2.304 20 2HD1 LEU 3 2HD1 LEU 3 8.386 2.783 1.375 21 3HD1 LEU 3 3HD1 LEU 3 9.628 3.726 0.556 22 1HD2 LEU 3 1HD2 LEU 3 9.964 1.084 -0.226 23 2HD2 LEU 3 2HD2 LEU 3 11.565 0.744 0.421 24 3HD2 LEU 3 3HD2 LEU 3 11.221 2.309 -0.313 25 H ILE 4 H ILE 4 12.965 4.440 -0.319 26 HA ILE 4 HA ILE 4 12.804 6.926 1.330 27 HB ILE 4 HB ILE 4 13.670 7.082 -1.502 28 1HG1 ILE 4 2HG1 ILE 4 15.023 5.242 -0.616 29 2HG1 ILE 4 1HG1 ILE 4 16.011 6.672 -0.907 30 1HG2 ILE 4 1HG2 ILE 4 15.248 8.783 -0.216 31 2HG2 ILE 4 2HG2 ILE 4 13.981 8.642 1.002 32 3HG2 ILE 4 3HG2 ILE 4 13.580 9.185 -0.627 33 1HD1 ILE 4 1HD1 ILE 4 16.181 5.234 1.318 34 2HD1 ILE 4 2HD1 ILE 4 14.891 6.333 1.808 35 3HD1 ILE 4 3HD1 ILE 4 16.450 6.977 1.295 36 H ILE 5 H ILE 5 10.783 7.508 1.306 37 HA ILE 5 HA ILE 5 9.272 7.180 -1.154 38 HB ILE 5 HB ILE 5 7.313 7.315 0.592 39 1HG1 ILE 5 2HG1 ILE 5 7.834 6.039 2.570 40 2HG1 ILE 5 1HG1 ILE 5 9.500 5.828 2.047 41 1HG2 ILE 5 1HG2 ILE 5 8.936 5.161 -0.590 42 2HG2 ILE 5 2HG2 ILE 5 7.257 5.605 -0.891 43 3HG2 ILE 5 3HG2 ILE 5 7.684 4.714 0.567 44 1HD1 ILE 5 1HD1 ILE 5 8.901 8.616 2.219 45 2HD1 ILE 5 2HD1 ILE 5 10.092 7.672 3.110 46 3HD1 ILE 5 3HD1 ILE 5 8.445 7.817 3.721 47 H LYS 6 H LYS 6 7.839 8.516 -1.970 48 HA LYS 6 HA LYS 6 7.564 11.202 -0.818 49 1HB LYS 6 2HB LYS 6 8.796 10.741 -3.221 50 2HB LYS 6 1HB LYS 6 7.123 10.914 -3.736 51 1HG LYS 6 2HG LYS 6 8.396 12.950 -1.952 52 2HG LYS 6 1HG LYS 6 8.628 12.995 -3.700 53 1HD LYS 6 2HD LYS 6 6.722 14.149 -3.800 54 2HD LYS 6 1HD LYS 6 5.896 12.640 -3.400 55 1HE LYS 6 2HE LYS 6 5.813 13.182 -1.106 56 2HE LYS 6 1HE LYS 6 6.982 14.488 -1.292 57 1HZ LYS 6 1HZ LYS 6 4.798 15.408 -1.065 58 2HZ LYS 6 2HZ LYS 6 4.197 14.446 -2.317 59 3HZ LYS 6 3HZ LYS 6 5.319 15.665 -2.654 60 H GLU 7 H GLU 7 6.011 9.591 0.184 61 HA GLU 7 HA GLU 7 3.811 8.518 -1.146 62 1HB GLU 7 2HB GLU 7 3.966 9.054 1.772 63 2HB GLU 7 1HB GLU 7 3.136 7.745 0.951 64 1HG GLU 7 2HG GLU 7 4.968 6.506 1.393 65 2HG GLU 7 1HG GLU 7 5.742 7.408 0.088 66 H LYS 8 H LYS 8 1.729 9.035 -1.584 67 HA LYS 8 HA LYS 8 0.642 11.431 -0.357 68 1HB LYS 8 2HB LYS 8 0.233 10.818 -3.281 69 2HB LYS 8 1HB LYS 8 -0.196 12.288 -2.420 70 1HG LYS 8 2HG LYS 8 1.893 13.146 -2.559 71 2HG LYS 8 1HG LYS 8 2.670 11.566 -2.460 72 1HD LYS 8 2HD LYS 8 3.076 11.912 -4.651 73 2HD LYS 8 1HD LYS 8 1.416 11.347 -4.845 74 1HE LYS 8 2HE LYS 8 1.108 13.276 -5.944 75 2HE LYS 8 1HE LYS 8 1.036 13.994 -4.335 76 1HZ LYS 8 1HZ LYS 8 2.704 14.809 -6.236 77 2HZ LYS 8 2HZ LYS 8 3.694 13.676 -5.463 78 3HZ LYS 8 3HZ LYS 8 3.037 14.963 -4.584 79 H ARG 9 H ARG 9 -1.426 10.915 0.460 80 HA ARG 9 HA ARG 9 -2.659 8.490 -0.691 81 1HB ARG 9 2HB ARG 9 -3.425 7.947 1.643 82 2HB ARG 9 1HB ARG 9 -1.698 7.793 1.355 83 1HG ARG 9 2HG ARG 9 -1.171 9.515 2.732 84 2HG ARG 9 1HG ARG 9 -2.667 10.388 2.395 85 1HD ARG 9 2HD ARG 9 -3.848 9.257 3.990 86 2HD ARG 9 1HD ARG 9 -2.860 7.804 3.844 87 HE ARG 9 HE ARG 9 -1.147 9.582 4.925 88 1HH1 ARG 9 1HH1 ARG 9 -4.382 8.593 5.782 89 2HH1 ARG 9 2HH1 ARG 9 -4.155 8.878 7.476 90 1HH2 ARG 9 1HH2 ARG 9 -0.846 9.956 7.152 91 2HH2 ARG 9 2HH2 ARG 9 -2.149 9.654 8.253 92 H ASP 10 H ASP 10 -4.761 8.470 -1.104 93 HA ASP 10 HA ASP 10 -6.429 10.633 -0.011 94 1HB ASP 10 2HB ASP 10 -5.769 10.853 -2.513 95 2HB ASP 10 1HB ASP 10 -6.871 9.503 -2.769 96 H ASN 11 H ASN 11 -7.927 9.702 1.288 97 HA ASN 11 HA ASN 11 -8.836 7.037 0.437 98 1HB ASN 11 2HB ASN 11 -9.361 6.698 2.888 99 2HB ASN 11 1HB ASN 11 -7.653 6.784 2.471 100 1HD2 ASN 11 1HD2 ASN 11 -8.138 7.154 4.999 101 2HD2 ASN 11 2HD2 ASN 11 -8.046 8.818 5.455 102 HA PRO 12 HA PRO 12 -12.879 9.011 0.649 103 1HB PRO 12 2HB PRO 12 -13.795 8.041 -1.654 104 2HB PRO 12 1HB PRO 12 -12.504 9.247 -1.676 105 1HG PRO 12 2HG PRO 12 -12.372 6.353 -2.254 106 2HG PRO 12 1HG PRO 12 -11.301 7.656 -2.795 107 1HD PRO 12 2HD PRO 12 -10.973 5.859 -0.543 108 2HD PRO 12 1HD PRO 12 -9.823 7.042 -1.183 109 H ILE 13 H ILE 13 -14.374 6.606 -1.004 110 HA ILE 13 HA ILE 13 -15.308 5.306 1.360 111 HB ILE 13 HB ILE 13 -16.859 4.210 0.062 112 1HG1 ILE 13 2HG1 ILE 13 -15.042 3.121 -1.375 113 2HG1 ILE 13 1HG1 ILE 13 -16.596 3.406 -2.134 114 1HG2 ILE 13 1HG2 ILE 13 -17.781 5.773 -1.486 115 2HG2 ILE 13 2HG2 ILE 13 -16.210 6.533 -1.737 116 3HG2 ILE 13 3HG2 ILE 13 -17.021 6.683 -0.178 117 1HD1 ILE 13 1HD1 ILE 13 -14.034 4.251 -2.976 118 2HD1 ILE 13 2HD1 ILE 13 -14.984 5.687 -2.594 119 3HD1 ILE 13 3HD1 ILE 13 -15.590 4.511 -3.760 120 H LEU 14 H LEU 14 -13.075 4.482 -1.262 121 HA LEU 14 HA LEU 14 -12.561 1.895 -0.010 122 1HB LEU 14 2HB LEU 14 -11.956 1.047 -2.020 123 2HB LEU 14 1HB LEU 14 -13.031 2.317 -2.565 124 HG LEU 14 HG LEU 14 -11.206 2.464 -4.002 125 1HD1 LEU 14 1HD1 LEU 14 -10.352 4.599 -3.684 126 2HD1 LEU 14 2HD1 LEU 14 -10.322 4.437 -1.930 127 3HD1 LEU 14 3HD1 LEU 14 -11.859 4.615 -2.773 128 1HD2 LEU 14 1HD2 LEU 14 -9.080 2.642 -1.969 129 2HD2 LEU 14 2HD2 LEU 14 -9.077 1.875 -3.556 130 3HD2 LEU 14 3HD2 LEU 14 -9.823 1.057 -2.182 131 H LYS 15 H LYS 15 -11.281 4.813 0.463 132 HA LYS 15 HA LYS 15 -9.295 5.347 1.491 133 1HB LYS 15 2HB LYS 15 -10.042 2.554 2.060 134 2HB LYS 15 1HB LYS 15 -8.455 3.013 2.546 135 1HG LYS 15 2HG LYS 15 -9.884 3.356 4.403 136 2HG LYS 15 1HG LYS 15 -9.504 4.958 3.762 137 1HD LYS 15 2HD LYS 15 -11.621 4.981 2.527 138 2HD LYS 15 1HD LYS 15 -11.999 3.364 3.126 139 1HE LYS 15 2HE LYS 15 -11.390 5.499 5.109 140 2HE LYS 15 1HE LYS 15 -12.952 5.538 4.293 141 1HZ LYS 15 1HZ LYS 15 -13.511 4.194 5.996 142 2HZ LYS 15 2HZ LYS 15 -11.929 3.648 6.254 143 3HZ LYS 15 3HZ LYS 15 -12.857 2.988 5.004 144 H ARG 16 H ARG 16 -8.669 5.331 -1.199 145 HA ARG 16 HA ARG 16 -6.420 3.456 -1.507 146 1HB ARG 16 2HB ARG 16 -8.431 4.043 -3.236 147 2HB ARG 16 1HB ARG 16 -7.178 5.136 -3.803 148 1HG ARG 16 2HG ARG 16 -5.645 3.093 -3.812 149 2HG ARG 16 1HG ARG 16 -7.124 2.143 -3.663 150 1HD ARG 16 2HD ARG 16 -7.394 2.283 -5.863 151 2HD ARG 16 1HD ARG 16 -7.583 4.028 -5.704 152 HE ARG 16 HE ARG 16 -4.848 3.429 -5.711 153 1HH1 ARG 16 1HH1 ARG 16 -7.587 3.346 -7.873 154 2HH1 ARG 16 2HH1 ARG 16 -6.628 3.580 -9.297 155 1HH2 ARG 16 1HH2 ARG 16 -3.587 3.738 -7.581 156 2HH2 ARG 16 2HH2 ARG 16 -4.358 3.802 -9.131 157 H LYS 17 H LYS 17 -4.333 4.093 -1.572 158 HA LYS 17 HA LYS 17 -3.887 7.002 -1.797 159 1HB LYS 17 2HB LYS 17 -1.979 6.743 -0.254 160 2HB LYS 17 1HB LYS 17 -3.533 6.367 0.475 161 1HG LYS 17 2HG LYS 17 -2.804 4.375 1.076 162 2HG LYS 17 1HG LYS 17 -2.425 3.975 -0.602 163 1HD LYS 17 2HD LYS 17 -0.536 5.767 0.802 164 2HD LYS 17 1HD LYS 17 -0.572 4.084 1.326 165 1HE LYS 17 2HE LYS 17 1.077 4.295 -0.398 166 2HE LYS 17 1HE LYS 17 -0.287 3.408 -1.063 167 1HZ LYS 17 1HZ LYS 17 -0.523 4.922 -2.605 168 2HZ LYS 17 2HZ LYS 17 0.855 5.694 -2.043 169 3HZ LYS 17 3HZ LYS 17 -0.643 6.162 -1.462 170 H GLU 18 H GLU 18 -1.849 7.737 -2.728 171 HA GLU 18 HA GLU 18 -0.518 5.730 -4.411 172 1HB GLU 18 2HB GLU 18 -0.594 8.295 -5.728 173 2HB GLU 18 1HB GLU 18 -1.080 6.719 -6.334 174 1HG GLU 18 2HG GLU 18 -3.283 7.002 -5.312 175 2HG GLU 18 1HG GLU 18 -2.795 8.586 -4.708 176 H ILE 19 H ILE 19 1.453 5.690 -3.696 177 HA ILE 19 HA ILE 19 2.797 8.217 -3.102 178 HB ILE 19 HB ILE 19 3.776 7.435 -1.145 179 1HG1 ILE 19 2HG1 ILE 19 4.492 5.282 -1.557 180 2HG1 ILE 19 1HG1 ILE 19 3.331 5.123 -0.249 181 1HG2 ILE 19 1HG2 ILE 19 0.933 7.330 -1.387 182 2HG2 ILE 19 2HG2 ILE 19 1.907 7.915 -0.053 183 3HG2 ILE 19 3HG2 ILE 19 1.471 6.217 -0.135 184 1HD1 ILE 19 1HD1 ILE 19 2.620 3.440 -1.528 185 2HD1 ILE 19 2HD1 ILE 19 3.199 4.177 -3.013 186 3HD1 ILE 19 3HD1 ILE 19 1.714 4.720 -2.299 187 H LYS 20 H LYS 20 5.024 8.294 -3.427 188 HA LYS 20 HA LYS 20 5.940 6.262 -5.365 189 1HB LYS 20 2HB LYS 20 6.790 8.003 -6.478 190 2HB LYS 20 1HB LYS 20 6.158 9.080 -5.242 191 1HG LYS 20 2HG LYS 20 8.243 9.651 -4.801 192 2HG LYS 20 1HG LYS 20 8.490 8.042 -4.140 193 1HD LYS 20 2HD LYS 20 9.699 7.359 -5.907 194 2HD LYS 20 1HD LYS 20 8.664 8.197 -7.064 195 1HE LYS 20 2HE LYS 20 10.962 9.092 -7.024 196 2HE LYS 20 1HE LYS 20 9.755 10.297 -6.580 197 1HZ LYS 20 1HZ LYS 20 11.013 8.759 -4.431 198 2HZ LYS 20 2HZ LYS 20 10.468 10.360 -4.437 199 3HZ LYS 20 3HZ LYS 20 11.933 9.963 -5.183 200 H TYR 21 H TYR 21 7.723 4.938 -4.964 201 HA TYR 21 HA TYR 21 9.242 5.457 -2.495 202 1HB TYR 21 2HB TYR 21 8.667 3.451 -1.481 203 2HB TYR 21 1HB TYR 21 7.188 3.921 -2.246 204 HD1 TYR 21 1HD TYR 21 7.735 3.108 -5.070 205 HD2 TYR 21 2HD TYR 21 8.518 1.127 -1.398 206 HE1 TYR 21 1HE TYR 21 7.652 0.947 -6.231 207 HE2 TYR 21 2HE TYR 21 8.442 -1.048 -2.544 208 HH TYR 21 HH TYR 21 7.274 -1.399 -5.733 209 H VAL 22 H VAL 22 11.260 4.499 -2.265 210 HA VAL 22 HA VAL 22 12.283 2.920 -4.508 211 HB VAL 22 HB VAL 22 13.258 5.275 -4.723 212 1HG1 VAL 22 1HG1 VAL 22 15.211 4.682 -2.606 213 2HG1 VAL 22 2HG1 VAL 22 13.612 5.176 -2.050 214 3HG1 VAL 22 3HG1 VAL 22 14.536 6.224 -3.127 215 1HG2 VAL 22 1HG2 VAL 22 14.644 3.903 -5.909 216 2HG2 VAL 22 2HG2 VAL 22 14.757 2.726 -4.607 217 3HG2 VAL 22 3HG2 VAL 22 15.750 4.179 -4.568 218 H LEU 23 H LEU 23 13.492 1.200 -3.846 219 HA LEU 23 HA LEU 23 13.818 0.886 -1.000 220 1HB LEU 23 2HB LEU 23 12.324 -0.744 -2.226 221 2HB LEU 23 1HB LEU 23 13.695 -1.208 -3.209 222 HG LEU 23 HG LEU 23 14.724 -1.689 -0.767 223 1HD1 LEU 23 1HD1 LEU 23 12.575 -3.033 0.197 224 2HD1 LEU 23 2HD1 LEU 23 11.808 -1.571 -0.423 225 3HD1 LEU 23 3HD1 LEU 23 13.100 -1.451 0.770 226 1HD2 LEU 23 1HD2 LEU 23 14.887 -3.416 -2.284 227 2HD2 LEU 23 2HD2 LEU 23 13.164 -3.387 -2.665 228 3HD2 LEU 23 3HD2 LEU 23 13.718 -4.080 -1.141 229 H LYS 24 H LYS 24 15.938 0.972 -0.354 230 HA LYS 24 HA LYS 24 17.905 0.736 -2.514 231 1HB LYS 24 2HB LYS 24 18.483 1.664 0.286 232 2HB LYS 24 1HB LYS 24 19.415 1.977 -1.161 233 1HG LYS 24 2HG LYS 24 17.714 3.459 -1.995 234 2HG LYS 24 1HG LYS 24 16.665 3.067 -0.630 235 1HD LYS 24 2HD LYS 24 17.881 4.323 0.839 236 2HD LYS 24 1HD LYS 24 19.391 4.088 -0.048 237 1HE LYS 24 2HE LYS 24 17.413 5.541 -1.593 238 2HE LYS 24 1HE LYS 24 17.797 6.346 -0.073 239 1HZ LYS 24 1HZ LYS 24 19.999 5.356 -1.738 240 2HZ LYS 24 2HZ LYS 24 19.961 6.678 -0.685 241 3HZ LYS 24 3HZ LYS 24 19.215 6.781 -2.201 242 H PHE 25 H PHE 25 18.799 -1.099 -2.755 243 HA PHE 25 HA PHE 25 19.114 -2.781 -0.394 244 1HB PHE 25 2HB PHE 25 18.909 -4.653 -1.988 245 2HB PHE 25 1HB PHE 25 17.479 -3.669 -1.875 246 HD1 PHE 25 1HD PHE 25 20.395 -4.453 -3.996 247 HD2 PHE 25 2HD PHE 25 16.607 -2.523 -3.756 248 HE1 PHE 25 1HE PHE 25 20.392 -4.167 -6.435 249 HE2 PHE 25 2HE PHE 25 16.601 -2.235 -6.195 250 HZ PHE 25 HZ PHE 25 18.492 -3.058 -7.539 251 H ASP 26 H ASP 26 20.974 -3.577 0.128 252 HA ASP 26 HA ASP 26 23.280 -2.932 -1.600 253 1HB ASP 26 2HB ASP 26 24.640 -2.990 0.441 254 2HB ASP 26 1HB ASP 26 23.310 -1.845 0.594 255 H SER 27 H SER 27 25.057 -4.421 -1.707 256 HA SER 27 HA SER 27 25.893 -6.472 -2.243 257 1HB SER 27 2HB SER 27 25.257 -6.429 0.497 258 2HB SER 27 1HB SER 27 24.716 -8.002 -0.088 259 HG SER 27 HG SER 27 27.233 -7.094 0.321 260 H SER 28 H SER 28 24.931 -9.074 -1.809 261 HA SER 28 HA SER 28 23.371 -9.569 -4.008 262 1HB SER 28 2HB SER 28 23.590 -11.114 -1.420 263 2HB SER 28 1HB SER 28 22.716 -11.724 -2.826 264 HG SER 28 HG SER 28 25.413 -10.872 -2.956 265 H ARG 29 H ARG 29 21.539 -8.470 -4.417 266 HA ARG 29 HA ARG 29 19.697 -7.705 -2.396 267 1HB ARG 29 2HB ARG 29 19.927 -6.400 -4.424 268 2HB ARG 29 1HB ARG 29 19.375 -7.762 -5.390 269 1HG ARG 29 2HG ARG 29 17.541 -6.995 -3.249 270 2HG ARG 29 1HG ARG 29 17.788 -5.752 -4.475 271 1HD ARG 29 2HD ARG 29 17.439 -7.783 -6.116 272 2HD ARG 29 1HD ARG 29 16.601 -8.472 -4.726 273 HE ARG 29 HE ARG 29 15.643 -6.425 -6.445 274 1HH1 ARG 29 1HH1 ARG 29 15.612 -7.481 -3.118 275 2HH1 ARG 29 2HH1 ARG 29 14.096 -6.727 -2.761 276 1HH2 ARG 29 1HH2 ARG 29 13.647 -5.431 -5.977 277 2HH2 ARG 29 2HH2 ARG 29 12.979 -5.562 -4.384 278 H THR 30 H THR 30 18.456 -9.033 -1.355 279 HA THR 30 HA THR 30 17.131 -11.198 -2.834 280 HB THR 30 HB THR 30 18.905 -11.454 -0.779 281 HG1 THR 30 1HG THR 30 18.540 -13.294 -1.733 282 1HG2 THR 30 1HG2 THR 30 17.670 -12.360 1.136 283 2HG2 THR 30 2HG2 THR 30 16.168 -11.759 0.435 284 3HG2 THR 30 3HG2 THR 30 17.425 -10.626 0.935 285 HA PRO 31 HA PRO 31 13.590 -8.605 -1.813 286 1HB PRO 31 2HB PRO 31 11.722 -10.415 -2.759 287 2HB PRO 31 1HB PRO 31 12.531 -9.192 -3.743 288 1HG PRO 31 2HG PRO 31 13.153 -12.097 -3.437 289 2HG PRO 31 1HG PRO 31 13.206 -11.084 -4.892 290 1HD PRO 31 2HD PRO 31 15.440 -11.780 -3.578 291 2HD PRO 31 1HD PRO 31 15.270 -10.186 -4.341 292 H SER 32 H SER 32 12.695 -8.483 0.144 293 HA SER 32 HA SER 32 12.214 -10.989 1.627 294 1HB SER 32 2HB SER 32 13.840 -8.984 2.382 295 2HB SER 32 1HB SER 32 12.323 -8.348 3.015 296 HG SER 32 HG SER 32 12.121 -10.112 4.321 297 H ARG 33 H ARG 33 10.233 -11.134 2.879 298 HA ARG 33 HA ARG 33 8.023 -9.854 1.579 299 1HB ARG 33 2HB ARG 33 6.690 -11.010 3.443 300 2HB ARG 33 1HB ARG 33 7.537 -12.025 2.285 301 1HG ARG 33 2HG ARG 33 9.300 -11.518 4.451 302 2HG ARG 33 1HG ARG 33 7.738 -12.002 5.112 303 1HD ARG 33 2HD ARG 33 7.782 -13.940 3.514 304 2HD ARG 33 1HD ARG 33 9.447 -13.500 3.134 305 HE ARG 33 HE ARG 33 8.528 -14.882 5.451 306 1HH1 ARG 33 1HH1 ARG 33 10.954 -12.650 4.310 307 2HH1 ARG 33 2HH1 ARG 33 12.110 -13.093 5.521 308 1HH2 ARG 33 1HH2 ARG 33 10.044 -15.464 7.046 309 2HH2 ARG 33 2HH2 ARG 33 11.592 -14.688 7.076 310 H GLU 34 H GLU 34 9.334 -9.700 4.865 311 HA GLU 34 HA GLU 34 7.593 -7.580 5.696 312 1HB GLU 34 2HB GLU 34 9.502 -9.369 6.903 313 2HB GLU 34 1HB GLU 34 9.777 -7.726 7.457 314 1HG GLU 34 2HG GLU 34 7.935 -7.718 8.707 315 2HG GLU 34 1HG GLU 34 6.962 -8.471 7.444 316 H GLU 35 H GLU 35 11.086 -7.751 5.003 317 HA GLU 35 HA GLU 35 11.680 -5.132 5.634 318 1HB GLU 35 2HB GLU 35 13.040 -6.689 3.449 319 2HB GLU 35 1HB GLU 35 13.726 -5.411 4.441 320 1HG GLU 35 2HG GLU 35 12.723 -7.529 6.100 321 2HG GLU 35 1HG GLU 35 13.829 -8.168 4.886 322 H ILE 36 H ILE 36 10.943 -6.331 2.297 323 HA ILE 36 HA ILE 36 11.062 -3.635 1.329 324 HB ILE 36 HB ILE 36 11.577 -5.626 -0.087 325 1HG1 ILE 36 2HG1 ILE 36 10.688 -3.180 -0.783 326 2HG1 ILE 36 1HG1 ILE 36 11.192 -4.393 -1.952 327 1HG2 ILE 36 1HG2 ILE 36 9.545 -6.910 0.677 328 2HG2 ILE 36 2HG2 ILE 36 9.900 -6.967 -1.047 329 3HG2 ILE 36 3HG2 ILE 36 8.611 -5.927 -0.441 330 1HD1 ILE 36 1HD1 ILE 36 9.125 -4.617 -2.780 331 2HD1 ILE 36 2HD1 ILE 36 8.844 -3.050 -2.021 332 3HD1 ILE 36 3HD1 ILE 36 8.365 -4.531 -1.193 333 H LYS 37 H LYS 37 8.369 -5.893 1.673 334 HA LYS 37 HA LYS 37 6.343 -4.041 1.030 335 1HB LYS 37 2HB LYS 37 5.981 -6.456 2.772 336 2HB LYS 37 1HB LYS 37 4.764 -5.656 1.791 337 1HG LYS 37 2HG LYS 37 6.449 -6.270 -0.153 338 2HG LYS 37 1HG LYS 37 6.917 -7.530 0.989 339 1HD LYS 37 2HD LYS 37 4.061 -7.016 0.190 340 2HD LYS 37 1HD LYS 37 5.108 -8.151 -0.662 341 1HE LYS 37 2HE LYS 37 4.920 -9.701 0.943 342 2HE LYS 37 1HE LYS 37 5.110 -8.515 2.233 343 1HZ LYS 37 1HZ LYS 37 2.815 -7.963 2.101 344 2HZ LYS 37 2HZ LYS 37 2.921 -9.649 2.196 345 3HZ LYS 37 3HZ LYS 37 2.593 -8.904 0.712 346 H GLU 38 H GLU 38 7.285 -5.174 4.261 347 HA GLU 38 HA GLU 38 5.475 -3.383 5.472 348 1HB GLU 38 2HB GLU 38 5.953 -4.530 7.284 349 2HB GLU 38 1HB GLU 38 7.002 -5.505 6.283 350 1HG GLU 38 2HG GLU 38 8.836 -3.821 6.845 351 2HG GLU 38 1HG GLU 38 7.746 -3.237 8.098 352 H LEU 39 H LEU 39 8.905 -3.055 4.589 353 HA LEU 39 HA LEU 39 9.058 -0.531 5.942 354 1HB LEU 39 2HB LEU 39 11.226 -0.867 5.759 355 2HB LEU 39 1HB LEU 39 10.925 -2.294 4.807 356 HG LEU 39 HG LEU 39 10.989 0.375 3.481 357 1HD1 LEU 39 1HD1 LEU 39 13.410 -1.288 4.150 358 2HD1 LEU 39 2HD1 LEU 39 13.011 0.277 4.855 359 3HD1 LEU 39 3HD1 LEU 39 13.387 0.155 3.137 360 1HD2 LEU 39 1HD2 LEU 39 12.089 -2.163 2.391 361 2HD2 LEU 39 2HD2 LEU 39 11.355 -0.800 1.550 362 3HD2 LEU 39 3HD2 LEU 39 10.344 -1.929 2.445 363 H ILE 40 H ILE 40 8.124 -1.598 2.755 364 HA ILE 40 HA ILE 40 8.222 1.034 1.630 365 HB ILE 40 HB ILE 40 7.193 0.206 -0.326 366 1HG1 ILE 40 2HG1 ILE 40 6.683 -2.284 1.264 367 2HG1 ILE 40 1HG1 ILE 40 5.487 -1.209 0.559 368 1HG2 ILE 40 1HG2 ILE 40 9.246 -0.456 -0.822 369 2HG2 ILE 40 2HG2 ILE 40 8.795 -2.070 -0.301 370 3HG2 ILE 40 3HG2 ILE 40 9.545 -0.955 0.838 371 1HD1 ILE 40 1HD1 ILE 40 7.030 -3.367 -0.663 372 2HD1 ILE 40 2HD1 ILE 40 6.911 -1.896 -1.628 373 3HD1 ILE 40 3HD1 ILE 40 5.448 -2.715 -1.081 374 H ALA 41 H ALA 41 5.452 -1.042 2.610 375 HA ALA 41 HA ALA 41 3.518 0.958 2.070 376 1HB ALA 41 1HB ALA 41 3.529 -1.665 3.278 377 2HB ALA 41 2HB ALA 41 2.291 -0.872 2.302 378 3HB ALA 41 3HB ALA 41 2.374 -0.574 4.034 379 H LYS 42 H LYS 42 5.064 -0.025 5.062 380 HA LYS 42 HA LYS 42 3.618 1.554 6.793 381 1HB LYS 42 2HB LYS 42 6.511 0.716 6.993 382 2HB LYS 42 1HB LYS 42 5.473 1.197 8.335 383 1HG LYS 42 2HG LYS 42 3.952 -0.691 7.765 384 2HG LYS 42 1HG LYS 42 5.127 -1.230 6.544 385 1HD LYS 42 2HD LYS 42 6.789 -1.562 8.284 386 2HD LYS 42 1HD LYS 42 5.695 -0.910 9.505 387 1HE LYS 42 2HE LYS 42 4.190 -2.752 9.235 388 2HE LYS 42 1HE LYS 42 5.081 -3.341 7.837 389 1HZ LYS 42 1HZ LYS 42 6.222 -4.600 9.241 390 2HZ LYS 42 2HZ LYS 42 5.523 -3.859 10.590 391 3HZ LYS 42 3HZ LYS 42 6.916 -3.202 9.893 392 H HIS 43 H HIS 43 6.637 2.243 5.113 393 HA HIS 43 HA HIS 43 6.779 4.978 5.892 394 1HB HIS 43 2HB HIS 43 7.891 3.533 3.481 395 2HB HIS 43 1HB HIS 43 8.290 5.166 3.951 396 HD1 HIS 43 1HD HIS 43 10.748 4.795 4.479 397 HD2 HIS 43 2HD HIS 43 8.218 2.233 6.554 398 HE1 HIS 43 1HE HIS 43 12.201 3.649 6.180 399 HE2 HIS 43 2HE HIS 43 10.667 2.038 7.364 400 H GLU 44 H GLU 44 5.570 3.203 3.129 401 HA GLU 44 HA GLU 44 4.822 5.143 1.412 402 1HB GLU 44 2HB GLU 44 3.779 2.462 1.953 403 2HB GLU 44 1HB GLU 44 2.847 3.523 0.913 404 1HG GLU 44 2HG GLU 44 4.407 3.529 -0.733 405 2HG GLU 44 1HG GLU 44 5.745 3.315 0.371 406 H GLY 45 H GLY 45 3.663 4.760 4.504 407 1HA GLY 45 2HA GLY 45 2.404 6.562 5.466 408 2HA GLY 45 1HA GLY 45 1.589 6.749 3.910 409 H VAL 46 H VAL 46 2.266 3.575 5.078 410 HA VAL 46 HA VAL 46 -0.430 3.207 6.112 411 HB VAL 46 HB VAL 46 -0.570 1.286 4.290 412 1HG1 VAL 46 1HG1 VAL 46 -1.381 3.762 3.051 413 2HG1 VAL 46 2HG1 VAL 46 -1.750 3.780 4.774 414 3HG1 VAL 46 3HG1 VAL 46 -2.375 2.489 3.754 415 1HG2 VAL 46 1HG2 VAL 46 1.274 1.529 2.941 416 2HG2 VAL 46 2HG2 VAL 46 1.417 3.254 3.255 417 3HG2 VAL 46 3HG2 VAL 46 0.201 2.669 2.137 418 H ASP 47 H ASP 47 -0.930 0.881 6.582 419 HA ASP 47 HA ASP 47 1.246 -0.278 8.079 420 1HB ASP 47 2HB ASP 47 -1.420 -1.567 7.676 421 2HB ASP 47 1HB ASP 47 -0.367 -1.640 9.085 422 H LYS 48 H LYS 48 1.034 -2.867 8.050 423 HA LYS 48 HA LYS 48 2.293 -3.741 5.680 424 1HB LYS 48 2HB LYS 48 2.411 -5.905 6.758 425 2HB LYS 48 1HB LYS 48 2.817 -4.640 7.909 426 1HG LYS 48 2HG LYS 48 -0.008 -5.503 7.817 427 2HG LYS 48 1HG LYS 48 1.162 -6.645 8.480 428 1HD LYS 48 2HD LYS 48 1.934 -4.381 9.730 429 2HD LYS 48 1HD LYS 48 0.206 -4.068 9.551 430 1HE LYS 48 2HE LYS 48 1.356 -6.591 10.731 431 2HE LYS 48 1HE LYS 48 0.837 -5.200 11.685 432 1HZ LYS 48 1HZ LYS 48 -0.913 -6.817 11.608 433 2HZ LYS 48 2HZ LYS 48 -0.873 -6.864 9.918 434 3HZ LYS 48 3HZ LYS 48 -1.392 -5.465 10.711 435 H GLU 49 H GLU 49 -1.046 -3.877 6.744 436 HA GLU 49 HA GLU 49 -1.753 -5.951 4.881 437 1HB GLU 49 2HB GLU 49 -3.134 -4.377 6.925 438 2HB GLU 49 1HB GLU 49 -4.122 -4.697 5.506 439 1HG GLU 49 2HG GLU 49 -2.751 -6.731 7.245 440 2HG GLU 49 1HG GLU 49 -4.481 -6.427 7.135 441 H LEU 50 H LEU 50 -1.938 -2.453 4.938 442 HA LEU 50 HA LEU 50 -3.273 -2.103 2.502 443 1HB LEU 50 2HB LEU 50 -1.567 0.029 3.576 444 2HB LEU 50 1HB LEU 50 -3.224 0.110 3.044 445 HG LEU 50 HG LEU 50 -2.170 -0.700 5.740 446 1HD1 LEU 50 1HD1 LEU 50 -2.471 1.567 5.783 447 2HD1 LEU 50 2HD1 LEU 50 -4.064 1.016 6.299 448 3HD1 LEU 50 3HD1 LEU 50 -3.803 1.525 4.632 449 1HD2 LEU 50 1HD2 LEU 50 -4.011 -1.844 6.297 450 2HD2 LEU 50 2HD2 LEU 50 -4.234 -2.055 4.563 451 3HD2 LEU 50 3HD2 LEU 50 -5.076 -0.758 5.409 452 H VAL 51 H VAL 51 -0.494 -3.632 2.527 453 HA VAL 51 HA VAL 51 0.924 -1.759 0.777 454 HB VAL 51 HB VAL 51 2.034 -4.462 1.220 455 1HG1 VAL 51 1HG1 VAL 51 2.973 -1.713 0.783 456 2HG1 VAL 51 2HG1 VAL 51 3.612 -3.248 0.194 457 3HG1 VAL 51 3HG1 VAL 51 3.974 -2.712 1.833 458 1HG2 VAL 51 1HG2 VAL 51 1.517 -4.385 3.413 459 2HG2 VAL 51 2HG2 VAL 51 1.342 -2.634 3.444 460 3HG2 VAL 51 3HG2 VAL 51 2.946 -3.369 3.480 461 H ILE 52 H ILE 52 0.490 -1.754 -1.286 462 HA ILE 52 HA ILE 52 0.437 -4.292 -2.736 463 HB ILE 52 HB ILE 52 -1.899 -3.605 -2.684 464 1HG1 ILE 52 2HG1 ILE 52 -0.835 -4.604 -4.764 465 2HG1 ILE 52 1HG1 ILE 52 -2.377 -3.788 -4.985 466 1HG2 ILE 52 1HG2 ILE 52 -1.030 -1.036 -3.949 467 2HG2 ILE 52 2HG2 ILE 52 -1.600 -1.232 -2.296 468 3HG2 ILE 52 3HG2 ILE 52 -2.689 -1.536 -3.647 469 1HD1 ILE 52 1HD1 ILE 52 -0.815 -1.743 -5.559 470 2HD1 ILE 52 2HD1 ILE 52 -1.225 -2.963 -6.762 471 3HD1 ILE 52 3HD1 ILE 52 0.329 -3.031 -5.930 472 H VAL 53 H VAL 53 2.425 -4.142 -3.770 473 HA VAL 53 HA VAL 53 2.884 -1.589 -5.181 474 HB VAL 53 HB VAL 53 5.295 -1.842 -4.839 475 1HG1 VAL 53 1HG1 VAL 53 3.948 -2.007 -2.144 476 2HG1 VAL 53 2HG1 VAL 53 3.798 -0.601 -3.193 477 3HG1 VAL 53 3HG1 VAL 53 5.382 -1.084 -2.594 478 1HG2 VAL 53 1HG2 VAL 53 6.136 -3.836 -4.341 479 2HG2 VAL 53 2HG2 VAL 53 4.531 -4.476 -3.993 480 3HG2 VAL 53 3HG2 VAL 53 5.458 -3.680 -2.724 481 H ASP 54 H ASP 54 2.698 -1.875 -7.259 482 HA ASP 54 HA ASP 54 3.722 -4.351 -8.482 483 1HB ASP 54 2HB ASP 54 1.391 -2.598 -9.245 484 2HB ASP 54 1HB ASP 54 2.100 -3.753 -10.369 485 H ASN 55 H ASN 55 5.142 -4.215 -10.141 486 HA ASN 55 HA ASN 55 6.698 -3.318 -11.533 487 1HB ASN 55 2HB ASN 55 4.269 -1.936 -12.046 488 2HB ASN 55 1HB ASN 55 5.567 -0.747 -12.099 489 1HD2 ASN 55 1HD2 ASN 55 4.916 -0.636 -14.368 490 2HD2 ASN 55 2HD2 ASN 55 5.611 -1.758 -15.484 491 H ASN 56 H ASN 56 8.529 -2.095 -11.404 492 HA ASN 56 HA ASN 56 8.635 0.183 -9.613 493 1HB ASN 56 2HB ASN 56 10.739 -0.996 -8.537 494 2HB ASN 56 1HB ASN 56 9.120 -1.257 -7.903 495 1HD2 ASN 56 1HD2 ASN 56 10.830 -2.588 -10.716 496 2HD2 ASN 56 2HD2 ASN 56 10.630 -4.243 -10.265 497 H LYS 57 H LYS 57 9.647 1.671 -10.773 498 HA LYS 57 HA LYS 57 11.545 0.963 -12.826 499 1HB LYS 57 2HB LYS 57 11.841 3.638 -12.692 500 2HB LYS 57 1HB LYS 57 10.539 2.868 -13.582 501 1HG LYS 57 2HG LYS 57 8.967 3.702 -12.230 502 2HG LYS 57 1HG LYS 57 9.907 3.358 -10.784 503 1HD LYS 57 2HD LYS 57 11.182 5.367 -11.049 504 2HD LYS 57 1HD LYS 57 10.470 5.669 -12.630 505 1HE LYS 57 2HE LYS 57 9.355 6.142 -9.906 506 2HE LYS 57 1HE LYS 57 9.190 7.086 -11.391 507 1HZ LYS 57 1HZ LYS 57 7.778 4.540 -10.796 508 2HZ LYS 57 2HZ LYS 57 7.635 5.426 -12.230 509 3HZ LYS 57 3HZ LYS 57 7.093 6.088 -10.771 510 H GLN 58 H GLN 58 13.791 1.729 -12.840 511 HA GLN 58 HA GLN 58 14.829 2.042 -10.098 512 1HB GLN 58 2HB GLN 58 15.190 -0.188 -11.547 513 2HB GLN 58 1HB GLN 58 16.552 0.748 -12.147 514 1HG GLN 58 2HG GLN 58 16.890 1.133 -9.531 515 2HG GLN 58 1HG GLN 58 16.085 -0.434 -9.486 516 1HE2 GLN 58 1HE2 GLN 58 18.991 0.898 -9.374 517 2HE2 GLN 58 2HE2 GLN 58 19.945 -0.316 -10.148 518 H LEU 59 H LEU 59 15.482 4.058 -9.915 519 HA LEU 59 HA LEU 59 17.154 5.213 -12.051 520 1HB LEU 59 2HB LEU 59 16.328 7.434 -11.004 521 2HB LEU 59 1HB LEU 59 15.266 6.551 -12.090 522 HG LEU 59 HG LEU 59 15.080 6.099 -9.140 523 1HD1 LEU 59 1HD1 LEU 59 13.310 8.130 -10.360 524 2HD1 LEU 59 2HD1 LEU 59 14.956 8.619 -9.960 525 3HD1 LEU 59 3HD1 LEU 59 13.899 7.976 -8.704 526 1HD2 LEU 59 1HD2 LEU 59 13.391 5.667 -11.550 527 2HD2 LEU 59 2HD2 LEU 59 12.604 5.943 -9.996 528 3HD2 LEU 59 3HD2 LEU 59 13.717 4.593 -10.192 529 H THR 60 H THR 60 19.223 5.228 -11.384 530 HA THR 60 HA THR 60 20.313 6.748 -9.444 531 HB THR 60 HB THR 60 19.176 5.693 -7.649 532 HG1 THR 60 1HG THR 60 20.914 5.488 -6.529 533 1HG2 THR 60 1HG2 THR 60 20.201 2.972 -8.209 534 2HG2 THR 60 2HG2 THR 60 18.786 3.531 -9.100 535 3HG2 THR 60 3HG2 THR 60 18.758 3.486 -7.338 536 H GLY 61 H GLY 61 22.500 5.795 -8.565 537 1HA GLY 61 2HA GLY 61 23.743 4.381 -10.836 538 2HA GLY 61 1HA GLY 61 24.571 5.549 -9.814 539 H LYS 62 H LYS 62 23.283 4.392 -7.387 540 HA LYS 62 HA LYS 62 25.324 2.522 -6.747 541 1HB LYS 62 2HB LYS 62 22.842 3.441 -5.305 542 2HB LYS 62 1HB LYS 62 23.910 2.218 -4.634 543 1HG LYS 62 2HG LYS 62 25.762 3.998 -5.043 544 2HG LYS 62 1HG LYS 62 24.405 5.123 -5.075 545 1HD LYS 62 2HD LYS 62 24.383 3.201 -2.849 546 2HD LYS 62 1HD LYS 62 25.713 4.360 -2.825 547 1HE LYS 62 2HE LYS 62 23.503 5.897 -3.465 548 2HE LYS 62 1HE LYS 62 22.888 4.752 -2.273 549 1HZ LYS 62 1HZ LYS 62 24.095 7.024 -1.629 550 2HZ LYS 62 2HZ LYS 62 25.439 5.999 -1.654 551 3HZ LYS 62 3HZ LYS 62 24.131 5.649 -0.641 552 H HIS 63 H HIS 63 21.894 1.858 -6.141 553 HA HIS 63 HA HIS 63 21.362 -0.090 -7.974 554 1HB HIS 63 2HB HIS 63 23.388 -0.993 -6.162 555 2HB HIS 63 1HB HIS 63 21.935 -1.955 -5.911 556 HD1 HIS 63 1HD HIS 63 21.101 -1.775 -9.020 557 HD2 HIS 63 2HD HIS 63 24.729 -3.068 -7.461 558 HE1 HIS 63 1HE HIS 63 22.100 -3.259 -10.786 559 HE2 HIS 63 2HE HIS 63 24.328 -3.972 -9.850 560 H GLU 64 H GLU 64 19.766 1.710 -6.699 561 HA GLU 64 HA GLU 64 18.083 0.013 -5.026 562 1HB GLU 64 2HB GLU 64 18.350 3.017 -4.894 563 2HB GLU 64 1HB GLU 64 17.503 1.969 -3.759 564 1HG GLU 64 2HG GLU 64 19.452 1.210 -2.789 565 2HG GLU 64 1HG GLU 64 20.396 1.466 -4.238 566 H ILE 65 H ILE 65 15.788 0.325 -5.383 567 HA ILE 65 HA ILE 65 15.284 1.304 -8.125 568 HB ILE 65 HB ILE 65 15.116 -1.158 -7.595 569 1HG1 ILE 65 2HG1 ILE 65 12.542 0.098 -8.549 570 2HG1 ILE 65 1HG1 ILE 65 13.983 -0.118 -9.545 571 1HG2 ILE 65 1HG2 ILE 65 13.644 -2.036 -6.143 572 2HG2 ILE 65 2HG2 ILE 65 12.452 -0.762 -6.401 573 3HG2 ILE 65 3HG2 ILE 65 13.850 -0.465 -5.367 574 1HD1 ILE 65 1HD1 ILE 65 12.574 -1.920 -10.056 575 2HD1 ILE 65 2HD1 ILE 65 12.212 -2.224 -8.358 576 3HD1 ILE 65 3HD1 ILE 65 13.815 -2.579 -8.996 577 H GLU 66 H GLU 66 13.970 2.920 -8.396 578 HA GLU 66 HA GLU 66 12.055 3.598 -6.265 579 1HB GLU 66 2HB GLU 66 13.795 5.296 -6.423 580 2HB GLU 66 1HB GLU 66 13.552 5.422 -8.147 581 1HG GLU 66 2HG GLU 66 11.782 6.768 -7.939 582 2HG GLU 66 1HG GLU 66 11.157 5.904 -6.535 583 H GLY 67 H GLY 67 10.005 3.613 -6.814 584 1HA GLY 67 2HA GLY 67 9.227 4.216 -9.533 585 2HA GLY 67 1HA GLY 67 8.816 2.610 -8.961 586 H TYR 68 H TYR 68 6.670 2.694 -8.770 587 HA TYR 68 HA TYR 68 5.617 4.786 -6.994 588 1HB TYR 68 2HB TYR 68 3.448 4.534 -8.258 589 2HB TYR 68 1HB TYR 68 4.758 5.278 -9.171 590 HD1 TYR 68 1HD TYR 68 2.557 2.388 -8.884 591 HD2 TYR 68 2HD TYR 68 5.857 4.050 -10.992 592 HE1 TYR 68 1HE TYR 68 2.250 0.724 -10.668 593 HE2 TYR 68 2HE TYR 68 5.560 2.392 -12.781 594 HH TYR 68 HH TYR 68 3.297 -0.259 -12.477 595 H THR 69 H THR 69 4.471 4.153 -5.357 596 HA THR 69 HA THR 69 3.909 1.288 -5.058 597 HB THR 69 HB THR 69 5.269 1.600 -3.234 598 HG1 THR 69 1HG THR 69 3.103 1.412 -2.406 599 1HG2 THR 69 1HG2 THR 69 5.610 3.736 -2.073 600 2HG2 THR 69 2HG2 THR 69 4.652 4.493 -3.328 601 3HG2 THR 69 3HG2 THR 69 6.148 3.693 -3.746 602 H LYS 70 H LYS 70 1.899 0.664 -4.242 603 HA LYS 70 HA LYS 70 -0.152 2.781 -4.023 604 1HB LYS 70 2HB LYS 70 0.023 1.026 -6.104 605 2HB LYS 70 1HB LYS 70 -1.038 0.158 -5.022 606 1HG LYS 70 2HG LYS 70 -2.301 2.452 -4.910 607 2HG LYS 70 1HG LYS 70 -1.479 2.728 -6.448 608 1HD LYS 70 2HD LYS 70 -3.544 1.779 -7.038 609 2HD LYS 70 1HD LYS 70 -2.391 0.445 -7.146 610 1HE LYS 70 2HE LYS 70 -3.368 -0.688 -5.472 611 2HE LYS 70 1HE LYS 70 -3.611 0.765 -4.503 612 1HZ LYS 70 1HZ LYS 70 -5.682 1.037 -5.282 613 2HZ LYS 70 2HZ LYS 70 -5.584 -0.606 -5.673 614 3HZ LYS 70 3HZ LYS 70 -5.285 0.564 -6.857 615 H ILE 71 H ILE 71 -1.748 2.419 -2.401 616 HA ILE 71 HA ILE 71 -1.345 -0.077 -0.905 617 HB ILE 71 HB ILE 71 -0.901 2.627 0.098 618 1HG1 ILE 71 2HG1 ILE 71 0.455 0.642 1.545 619 2HG1 ILE 71 1HG1 ILE 71 0.434 0.098 -0.127 620 1HG2 ILE 71 1HG2 ILE 71 -2.353 2.456 1.764 621 2HG2 ILE 71 2HG2 ILE 71 -1.226 1.276 2.419 622 3HG2 ILE 71 3HG2 ILE 71 -2.603 0.740 1.486 623 1HD1 ILE 71 1HD1 ILE 71 1.303 2.844 0.669 624 2HD1 ILE 71 2HD1 ILE 71 1.555 2.022 -0.868 625 3HD1 ILE 71 3HD1 ILE 71 2.400 1.477 0.575 626 H TYR 72 H TYR 72 -2.918 -0.950 0.287 627 HA TYR 72 HA TYR 72 -5.567 0.308 -0.099 628 1HB TYR 72 2HB TYR 72 -6.513 -2.014 0.360 629 2HB TYR 72 1HB TYR 72 -5.773 -1.721 -1.205 630 HD1 TYR 72 1HD TYR 72 -6.090 -4.015 1.348 631 HD2 TYR 72 2HD TYR 72 -3.131 -2.353 -1.218 632 HE1 TYR 72 1HE TYR 72 -4.723 -6.038 1.627 633 HE2 TYR 72 2HE TYR 72 -1.755 -4.373 -0.939 634 HH TYR 72 HH TYR 72 -2.226 -6.856 -0.344 635 H ALA 73 H ALA 73 -6.260 1.302 1.499 636 HA ALA 73 HA ALA 73 -5.465 0.776 4.224 637 1HB ALA 73 1HB ALA 73 -6.456 3.047 2.715 638 2HB ALA 73 2HB ALA 73 -5.462 2.999 4.170 639 3HB ALA 73 3HB ALA 73 -7.216 2.890 4.298 640 H ASP 74 H ASP 74 -7.884 -0.377 2.295 641 HA ASP 74 HA ASP 74 -10.122 -0.176 4.035 642 1HB ASP 74 2HB ASP 74 -11.134 -1.886 2.549 643 2HB ASP 74 1HB ASP 74 -10.448 -0.529 1.660 644 H LYS 75 H LYS 75 -7.317 -1.839 4.477 645 HA LYS 75 HA LYS 75 -7.766 -4.401 5.198 646 1HB LYS 75 2HB LYS 75 -5.592 -3.546 5.491 647 2HB LYS 75 1HB LYS 75 -6.149 -2.240 6.523 648 1HG LYS 75 2HG LYS 75 -6.853 -4.336 8.047 649 2HG LYS 75 1HG LYS 75 -5.476 -5.026 7.194 650 1HD LYS 75 2HD LYS 75 -4.145 -3.027 7.871 651 2HD LYS 75 1HD LYS 75 -5.518 -2.510 8.852 652 1HE LYS 75 2HE LYS 75 -5.094 -5.164 9.574 653 2HE LYS 75 1HE LYS 75 -3.475 -4.482 9.419 654 1HZ LYS 75 1HZ LYS 75 -4.629 -4.294 11.663 655 2HZ LYS 75 2HZ LYS 75 -5.587 -3.095 10.951 656 3HZ LYS 75 3HZ LYS 75 -3.912 -2.892 11.043 657 HA PRO 76 HA PRO 76 -9.338 -2.840 9.695 658 1HB PRO 76 2HB PRO 76 -11.016 -0.631 9.014 659 2HB PRO 76 1HB PRO 76 -9.587 -0.620 10.048 660 1HG PRO 76 2HG PRO 76 -9.858 0.112 7.191 661 2HG PRO 76 1HG PRO 76 -8.705 0.702 8.401 662 1HD PRO 76 2HD PRO 76 -7.946 -0.975 6.458 663 2HD PRO 76 1HD PRO 76 -7.273 -1.101 8.095 664 H SER 77 H SER 77 -10.935 -2.495 6.585 665 HA SER 77 HA SER 77 -13.498 -3.383 7.519 666 1HB SER 77 2HB SER 77 -12.741 -3.550 4.633 667 2HB SER 77 1HB SER 77 -14.250 -3.007 5.368 668 HG SER 77 HG SER 77 -11.828 -1.611 5.033 669 H ALA 78 H ALA 78 -10.778 -4.822 5.766 670 HA ALA 78 HA ALA 78 -11.960 -7.357 5.350 671 1HB ALA 78 1HB ALA 78 -9.005 -6.894 5.635 672 2HB ALA 78 2HB ALA 78 -9.901 -6.369 4.211 673 3HB ALA 78 3HB ALA 78 -9.843 -8.080 4.634 674 H MET 79 H MET 79 -9.611 -6.241 7.801 675 HA MET 79 HA MET 79 -9.542 -8.646 9.260 676 1HB MET 79 2HB MET 79 -8.101 -6.398 9.381 677 2HB MET 79 1HB MET 79 -9.210 -6.062 10.704 678 1HG MET 79 2HG MET 79 -8.564 -8.401 11.556 679 2HG MET 79 1HG MET 79 -7.201 -8.262 10.446 680 1HE MET 79 1HE MET 79 -5.671 -7.696 13.986 681 2HE MET 79 2HE MET 79 -6.281 -8.923 12.877 682 3HE MET 79 3HE MET 79 -7.348 -8.227 14.098 683 H LEU 80 H LEU 80 -11.739 -5.937 9.277 684 HA LEU 80 HA LEU 80 -13.060 -6.600 11.720 685 1HB LEU 80 2HB LEU 80 -13.249 -4.356 11.064 686 2HB LEU 80 1HB LEU 80 -13.660 -4.777 9.413 687 HG LEU 80 HG LEU 80 -15.882 -5.433 10.063 688 1HD1 LEU 80 1HD1 LEU 80 -16.232 -6.282 12.078 689 2HD1 LEU 80 2HD1 LEU 80 -16.125 -4.649 12.735 690 3HD1 LEU 80 3HD1 LEU 80 -14.685 -5.667 12.664 691 1HD2 LEU 80 1HD2 LEU 80 -16.019 -3.198 9.651 692 2HD2 LEU 80 2HD2 LEU 80 -14.847 -2.782 10.900 693 3HD2 LEU 80 3HD2 LEU 80 -16.501 -3.197 11.347 694 H TYR 81 H TYR 81 -13.594 -7.290 8.311 695 HA TYR 81 HA TYR 81 -16.054 -8.723 8.837 696 1HB TYR 81 2HB TYR 81 -15.562 -7.325 6.752 697 2HB TYR 81 1HB TYR 81 -14.550 -8.668 6.228 698 HD1 TYR 81 1HD TYR 81 -18.009 -8.048 7.506 699 HD2 TYR 81 2HD TYR 81 -15.512 -10.274 4.874 700 HE1 TYR 81 1HE TYR 81 -19.994 -9.167 6.577 701 HE2 TYR 81 2HE TYR 81 -17.490 -11.396 3.938 702 HH TYR 81 HH TYR 81 -20.564 -10.319 4.308 703 H GLU 82 H GLU 82 -12.984 -9.500 9.441 704 HA GLU 82 HA GLU 82 -12.292 -11.840 8.247 705 1HB GLU 82 2HB GLU 82 -10.973 -12.334 10.164 706 2HB GLU 82 1HB GLU 82 -11.037 -10.585 10.036 707 1HG GLU 82 2HG GLU 82 -11.896 -10.400 12.063 708 2HG GLU 82 1HG GLU 82 -13.184 -11.544 11.689 709 HA PRO 83 HA PRO 83 -14.891 -15.269 9.134 710 1HB PRO 83 2HB PRO 83 -12.816 -16.443 10.926 711 2HB PRO 83 1HB PRO 83 -13.669 -17.171 9.560 712 1HG PRO 83 2HG PRO 83 -11.155 -16.374 9.288 713 2HG PRO 83 1HG PRO 83 -12.328 -16.103 7.986 714 1HD PRO 83 2HD PRO 83 -11.224 -14.170 9.977 715 2HD PRO 83 1HD PRO 83 -11.616 -13.922 8.264 716 H ASP 84 H ASP 84 -13.606 -13.493 11.820 717 HA ASP 84 HA ASP 84 -15.192 -14.809 13.818 718 1HB ASP 84 2HB ASP 84 -13.615 -12.236 13.823 719 2HB ASP 84 1HB ASP 84 -14.516 -12.810 15.225 720 H TYR 85 H TYR 85 -15.853 -12.521 11.412 721 HA TYR 85 HA TYR 85 -17.513 -10.960 11.086 722 1HB TYR 85 2HB TYR 85 -19.139 -13.201 12.296 723 2HB TYR 85 1HB TYR 85 -19.721 -11.963 11.189 724 HD1 TYR 85 1HD TYR 85 -18.140 -15.182 11.491 725 HD2 TYR 85 2HD TYR 85 -18.834 -11.938 8.828 726 HE1 TYR 85 1HE TYR 85 -17.583 -16.634 9.587 727 HE2 TYR 85 2HE TYR 85 -18.279 -13.380 6.915 728 HH TYR 85 HH TYR 85 -17.988 -16.768 7.194 729 H GLU 86 H GLU 86 -17.107 -9.252 12.476 730 HA GLU 86 HA GLU 86 -19.012 -8.959 14.634 731 1HB GLU 86 2HB GLU 86 -16.701 -10.007 15.431 732 2HB GLU 86 1HB GLU 86 -16.205 -8.321 15.400 733 1HG GLU 86 2HG GLU 86 -18.759 -8.753 16.735 734 2HG GLU 86 1HG GLU 86 -17.410 -9.597 17.495 735 H LEU 87 H LEU 87 -19.736 -7.393 13.036 736 HA LEU 87 HA LEU 87 -18.055 -5.097 12.525 737 1HB LEU 87 2HB LEU 87 -20.430 -6.245 11.393 738 2HB LEU 87 1HB LEU 87 -20.730 -4.560 11.772 739 HG LEU 87 HG LEU 87 -18.423 -4.219 10.520 740 1HD1 LEU 87 1HD1 LEU 87 -17.983 -5.767 8.802 741 2HD1 LEU 87 2HD1 LEU 87 -19.496 -6.630 9.084 742 3HD1 LEU 87 3HD1 LEU 87 -18.190 -6.728 10.266 743 1HD2 LEU 87 1HD2 LEU 87 -19.704 -3.875 8.436 744 2HD2 LEU 87 2HD2 LEU 87 -20.497 -3.185 9.851 745 3HD2 LEU 87 3HD2 LEU 87 -21.074 -4.707 9.169 746 H ILE 88 H ILE 88 -20.940 -5.868 14.416 747 HA ILE 88 HA ILE 88 -22.121 -4.690 15.978 748 HB ILE 88 HB ILE 88 -19.940 -5.264 17.133 749 1HG1 ILE 88 2HG1 ILE 88 -20.463 -3.176 18.833 750 2HG1 ILE 88 1HG1 ILE 88 -21.952 -3.266 17.897 751 1HG2 ILE 88 1HG2 ILE 88 -18.350 -3.856 16.149 752 2HG2 ILE 88 2HG2 ILE 88 -18.590 -3.189 17.762 753 3HG2 ILE 88 3HG2 ILE 88 -19.349 -2.420 16.370 754 1HD1 ILE 88 1HD1 ILE 88 -22.314 -4.628 19.754 755 2HD1 ILE 88 2HD1 ILE 88 -20.712 -5.359 19.641 756 3HD1 ILE 88 3HD1 ILE 88 -21.945 -5.750 18.444 757 H ARG 89 H ARG 89 -21.537 -3.262 13.398 758 HA ARG 89 HA ARG 89 -21.599 -0.495 14.363 759 1HB ARG 89 2HB ARG 89 -20.671 -1.793 11.871 760 2HB ARG 89 1HB ARG 89 -21.441 -0.225 11.679 761 1HG ARG 89 2HG ARG 89 -19.454 -0.326 13.824 762 2HG ARG 89 1HG ARG 89 -18.804 -0.627 12.213 763 1HD ARG 89 2HD ARG 89 -20.474 1.509 11.794 764 2HD ARG 89 1HD ARG 89 -19.824 1.841 13.398 765 HE ARG 89 HE ARG 89 -17.883 2.430 12.380 766 1HH1 ARG 89 1HH1 ARG 89 -19.527 0.152 10.306 767 2HH1 ARG 89 2HH1 ARG 89 -18.321 0.224 9.065 768 1HH2 ARG 89 1HH2 ARG 89 -16.299 2.524 10.748 769 2HH2 ARG 89 2HH2 ARG 89 -16.488 1.569 9.316 770 H ASN 90 H ASN 90 -22.896 0.851 12.469 771 HA ASN 90 HA ASN 90 -25.442 -0.449 11.910 772 1HB ASN 90 2HB ASN 90 -25.372 0.803 14.236 773 2HB ASN 90 1HB ASN 90 -25.586 2.231 13.228 774 1HD2 ASN 90 1HD2 ASN 90 -27.067 -0.490 14.640 775 2HD2 ASN 90 2HD2 ASN 90 -28.656 -0.244 14.009 776 H GLY 91 H GLY 91 -23.221 0.565 10.313 777 1HA GLY 91 2HA GLY 91 -23.167 1.507 8.190 778 2HA GLY 91 1HA GLY 91 -24.785 2.136 8.458 779 H LEU 92 H LEU 92 -23.489 3.919 7.245 780 HA LEU 92 HA LEU 92 -22.805 5.910 9.254 781 1HB LEU 92 2HB LEU 92 -20.778 4.552 7.974 782 2HB LEU 92 1HB LEU 92 -20.951 5.994 6.993 783 HG LEU 92 HG LEU 92 -19.236 6.198 8.776 784 1HD1 LEU 92 1HD1 LEU 92 -21.295 8.152 9.578 785 2HD1 LEU 92 2HD1 LEU 92 -20.921 8.068 7.856 786 3HD1 LEU 92 3HD1 LEU 92 -19.640 8.404 9.022 787 1HD2 LEU 92 1HD2 LEU 92 -19.783 6.228 11.055 788 2HD2 LEU 92 2HD2 LEU 92 -20.615 4.812 10.415 789 3HD2 LEU 92 3HD2 LEU 92 -21.515 6.297 10.729 790 H LYS 93 H LYS 93 -23.017 8.063 8.529 791 HA LYS 93 HA LYS 93 -23.970 9.761 7.355 792 1HB LYS 93 2HB LYS 93 -22.365 8.499 5.570 793 2HB LYS 93 1HB LYS 93 -23.919 8.353 4.759 794 1HG LYS 93 2HG LYS 93 -22.832 10.326 3.972 795 2HG LYS 93 1HG LYS 93 -24.201 10.808 4.976 796 1HD LYS 93 2HD LYS 93 -22.115 10.635 6.776 797 2HD LYS 93 1HD LYS 93 -21.353 11.306 5.332 798 1HE LYS 93 2HE LYS 93 -22.085 13.189 6.491 799 2HE LYS 93 1HE LYS 93 -23.347 12.927 5.287 800 1HZ LYS 93 1HZ LYS 93 -24.739 11.936 6.927 801 2HZ LYS 93 2HZ LYS 93 -24.186 13.407 7.553 802 3HZ LYS 93 3HZ LYS 93 -23.505 11.953 8.085 803 H GLN 94 H GLN 94 -26.055 9.988 7.864 804 HA GLN 94 HA GLN 94 -27.999 8.057 6.826 805 1HB GLN 94 2HB GLN 94 -27.720 9.220 9.323 806 2HB GLN 94 1HB GLN 94 -29.039 10.130 8.600 807 1HG GLN 94 2HG GLN 94 -30.255 8.071 8.177 808 2HG GLN 94 1HG GLN 94 -28.919 7.133 8.843 809 1HE2 GLN 94 1HE2 GLN 94 -31.864 8.451 9.505 810 2HE2 GLN 94 2HE2 GLN 94 -31.778 8.494 11.230 811 H LYS 95 H LYS 95 -26.910 9.826 4.964 812 HA LYS 95 HA LYS 95 -27.520 11.230 3.282 813 1HB LYS 95 2HB LYS 95 -29.559 9.657 3.419 814 2HB LYS 95 1HB LYS 95 -30.370 10.997 4.215 815 1HG LYS 95 2HG LYS 95 -29.158 12.036 1.892 816 2HG LYS 95 1HG LYS 95 -29.963 10.535 1.430 817 1HD LYS 95 2HD LYS 95 -32.019 11.394 1.759 818 2HD LYS 95 1HD LYS 95 -31.528 12.271 3.210 819 1HE LYS 95 2HE LYS 95 -31.131 14.165 2.075 820 2HE LYS 95 1HE LYS 95 -30.366 13.314 0.733 821 1HZ LYS 95 1HZ LYS 95 -32.772 14.517 0.624 822 2HZ LYS 95 2HZ LYS 95 -33.216 12.912 0.915 823 3HZ LYS 95 3HZ LYS 95 -32.260 13.293 -0.427 824 H GLU 96 H GLU 96 -26.424 12.695 5.001 825 HA GLU 96 HA GLU 96 -26.411 14.577 6.348 826 1HB GLU 96 2HB GLU 96 -26.862 16.555 5.005 827 2HB GLU 96 1HB GLU 96 -26.036 15.334 4.052 828 1HG GLU 96 2HG GLU 96 -28.768 14.875 3.666 829 2HG GLU 96 1HG GLU 96 -28.553 16.621 3.585 830 H ALA 97 H ALA 97 -27.746 14.199 8.100 831 HA ALA 97 HA ALA 97 -29.489 14.562 9.520 832 1HB ALA 97 1HB ALA 97 -29.372 16.846 9.293 833 2HB ALA 97 2HB ALA 97 -31.030 16.543 8.776 834 3HB ALA 97 3HB ALA 97 -29.765 16.804 7.576 835 H LYS 98 H LYS 98 -31.840 14.350 9.770 836 HA LYS 98 HA LYS 98 -33.097 13.026 7.457 837 1HB LYS 98 2HB LYS 98 -32.308 11.729 9.730 838 2HB LYS 98 1HB LYS 98 -33.977 12.125 10.117 839 1HG LYS 98 2HG LYS 98 -34.088 11.144 7.525 840 2HG LYS 98 1HG LYS 98 -32.919 10.106 8.342 841 1HD LYS 98 2HD LYS 98 -35.610 10.763 9.515 842 2HD LYS 98 1HD LYS 98 -35.348 9.380 8.452 843 1HE LYS 98 2HE LYS 98 -33.394 9.558 10.610 844 2HE LYS 98 1HE LYS 98 -35.051 9.400 11.190 845 1HZ LYS 98 1HZ LYS 98 -33.652 7.579 9.308 846 2HZ LYS 98 2HZ LYS 98 -35.287 7.454 9.718 847 3HZ LYS 98 3HZ LYS 98 -34.100 7.236 10.903 Start of MODEL 8 1 1H MET 1 H MET 1 16.554 -4.058 3.898 2 HA MET 1 HA MET 1 16.945 -2.749 1.305 3 1HB MET 1 2HB MET 1 14.713 -4.159 2.678 4 2HB MET 1 1HB MET 1 14.248 -2.811 1.653 5 1HG MET 1 2HG MET 1 14.337 -4.180 -0.077 6 2HG MET 1 1HG MET 1 16.081 -4.284 0.152 7 1HE MET 1 1HE MET 1 12.961 -7.191 0.196 8 2HE MET 1 2HE MET 1 14.323 -7.453 -0.893 9 3HE MET 1 3HE MET 1 13.520 -5.885 -0.849 10 H ASP 2 H ASP 2 15.961 -0.504 0.948 11 HA ASP 2 HA ASP 2 15.311 0.830 3.509 12 1HB ASP 2 2HB ASP 2 17.086 2.159 1.484 13 2HB ASP 2 1HB ASP 2 16.766 2.654 3.137 14 H LEU 3 H LEU 3 13.840 2.607 3.288 15 HA LEU 3 HA LEU 3 12.728 2.670 0.582 16 1HB LEU 3 2HB LEU 3 11.505 2.002 3.013 17 2HB LEU 3 1HB LEU 3 10.810 3.527 2.526 18 HG LEU 3 HG LEU 3 9.959 1.034 1.725 19 1HD1 LEU 3 1HD1 LEU 3 8.564 2.311 0.127 20 2HD1 LEU 3 2HD1 LEU 3 9.554 3.729 0.463 21 3HD1 LEU 3 3HD1 LEU 3 8.599 2.997 1.750 22 1HD2 LEU 3 1HD2 LEU 3 12.033 1.073 0.188 23 2HD2 LEU 3 2HD2 LEU 3 11.114 2.255 -0.745 24 3HD2 LEU 3 3HD2 LEU 3 10.475 0.639 -0.500 25 H ILE 4 H ILE 4 12.741 4.498 -0.509 26 HA ILE 4 HA ILE 4 12.868 7.028 1.026 27 HB ILE 4 HB ILE 4 13.351 6.609 -1.917 28 1HG1 ILE 4 2HG1 ILE 4 15.049 5.592 -0.416 29 2HG1 ILE 4 1HG1 ILE 4 15.701 6.836 -1.480 30 1HG2 ILE 4 1HG2 ILE 4 12.880 8.807 -1.960 31 2HG2 ILE 4 2HG2 ILE 4 14.508 8.992 -1.306 32 3HG2 ILE 4 3HG2 ILE 4 13.114 8.994 -0.223 33 1HD1 ILE 4 1HD1 ILE 4 15.318 6.868 1.471 34 2HD1 ILE 4 2HD1 ILE 4 15.257 8.390 0.582 35 3HD1 ILE 4 3HD1 ILE 4 16.701 7.383 0.507 36 H ILE 5 H ILE 5 10.872 7.726 1.346 37 HA ILE 5 HA ILE 5 8.940 7.182 -0.758 38 HB ILE 5 HB ILE 5 7.275 7.601 1.161 39 1HG1 ILE 5 2HG1 ILE 5 8.101 6.936 3.348 40 2HG1 ILE 5 1HG1 ILE 5 9.716 6.698 2.696 41 1HG2 ILE 5 1HG2 ILE 5 7.010 5.377 1.078 42 2HG2 ILE 5 2HG2 ILE 5 8.688 5.069 1.519 43 3HG2 ILE 5 3HG2 ILE 5 8.279 5.480 -0.144 44 1HD1 ILE 5 1HD1 ILE 5 9.438 8.775 4.018 45 2HD1 ILE 5 2HD1 ILE 5 8.313 9.356 2.792 46 3HD1 ILE 5 3HD1 ILE 5 9.996 9.049 2.369 47 H LYS 6 H LYS 6 7.493 8.519 -1.519 48 HA LYS 6 HA LYS 6 7.356 11.257 -0.532 49 1HB LYS 6 2HB LYS 6 8.653 10.763 -2.905 50 2HB LYS 6 1HB LYS 6 7.003 11.029 -3.453 51 1HG LYS 6 2HG LYS 6 6.960 13.206 -2.428 52 2HG LYS 6 1HG LYS 6 8.552 12.935 -1.714 53 1HD LYS 6 2HD LYS 6 8.342 12.626 -4.649 54 2HD LYS 6 1HD LYS 6 8.180 14.264 -4.013 55 1HE LYS 6 2HE LYS 6 10.309 13.957 -2.792 56 2HE LYS 6 1HE LYS 6 10.478 12.368 -3.537 57 1HZ LYS 6 1HZ LYS 6 11.064 13.257 -5.507 58 2HZ LYS 6 2HZ LYS 6 11.533 14.575 -4.558 59 3HZ LYS 6 3HZ LYS 6 10.040 14.595 -5.353 60 H GLU 7 H GLU 7 5.795 9.742 0.431 61 HA GLU 7 HA GLU 7 3.612 8.646 -0.874 62 1HB GLU 7 2HB GLU 7 3.627 9.374 1.997 63 2HB GLU 7 1HB GLU 7 2.884 7.985 1.215 64 1HG GLU 7 2HG GLU 7 4.724 6.870 1.889 65 2HG GLU 7 1HG GLU 7 5.507 7.648 0.512 66 H LYS 8 H LYS 8 1.653 9.213 -1.492 67 HA LYS 8 HA LYS 8 0.568 11.703 -0.463 68 1HB LYS 8 2HB LYS 8 1.458 11.361 -3.093 69 2HB LYS 8 1HB LYS 8 -0.286 11.162 -3.185 70 1HG LYS 8 2HG LYS 8 -0.273 13.391 -3.416 71 2HG LYS 8 1HG LYS 8 -0.133 13.378 -1.656 72 1HD LYS 8 2HD LYS 8 2.408 13.290 -2.078 73 2HD LYS 8 1HD LYS 8 2.004 13.809 -3.717 74 1HE LYS 8 2HE LYS 8 1.167 15.255 -1.206 75 2HE LYS 8 1HE LYS 8 2.575 15.680 -2.180 76 1HZ LYS 8 1HZ LYS 8 0.676 15.654 -4.040 77 2HZ LYS 8 2HZ LYS 8 1.103 17.039 -3.170 78 3HZ LYS 8 3HZ LYS 8 -0.245 16.129 -2.703 79 H ARG 9 H ARG 9 -1.244 11.014 0.668 80 HA ARG 9 HA ARG 9 -2.603 8.619 -0.389 81 1HB ARG 9 2HB ARG 9 -3.337 8.181 1.893 82 2HB ARG 9 1HB ARG 9 -1.586 8.315 1.803 83 1HG ARG 9 2HG ARG 9 -1.626 10.495 2.767 84 2HG ARG 9 1HG ARG 9 -3.388 10.563 2.664 85 1HD ARG 9 2HD ARG 9 -3.677 9.278 4.498 86 2HD ARG 9 1HD ARG 9 -2.275 8.271 4.143 87 HE ARG 9 HE ARG 9 -0.984 9.656 5.436 88 1HH1 ARG 9 1HH1 ARG 9 -4.050 11.203 4.812 89 2HH1 ARG 9 2HH1 ARG 9 -3.774 12.485 5.942 90 1HH2 ARG 9 1HH2 ARG 9 -0.619 11.343 6.921 91 2HH2 ARG 9 2HH2 ARG 9 -1.826 12.566 7.139 92 H ASP 10 H ASP 10 -4.662 8.576 -0.857 93 HA ASP 10 HA ASP 10 -6.363 10.853 -0.104 94 1HB ASP 10 2HB ASP 10 -5.538 10.568 -2.624 95 2HB ASP 10 1HB ASP 10 -6.872 9.418 -2.670 96 H ASN 11 H ASN 11 -7.927 10.091 1.237 97 HA ASN 11 HA ASN 11 -8.805 7.335 0.705 98 1HB ASN 11 2HB ASN 11 -8.633 8.874 3.291 99 2HB ASN 11 1HB ASN 11 -9.492 7.345 3.140 100 1HD2 ASN 11 1HD2 ASN 11 -8.034 6.512 4.705 101 2HD2 ASN 11 2HD2 ASN 11 -6.447 6.008 4.246 102 HA PRO 12 HA PRO 12 -12.852 9.272 0.347 103 1HB PRO 12 2HB PRO 12 -13.572 7.999 -1.873 104 2HB PRO 12 1HB PRO 12 -12.264 9.183 -1.951 105 1HG PRO 12 2HG PRO 12 -12.128 6.237 -2.101 106 2HG PRO 12 1HG PRO 12 -10.998 7.446 -2.728 107 1HD PRO 12 2HD PRO 12 -10.894 5.993 -0.214 108 2HD PRO 12 1HD PRO 12 -9.669 7.058 -0.923 109 H ILE 13 H ILE 13 -14.187 6.649 -1.089 110 HA ILE 13 HA ILE 13 -15.340 5.660 1.327 111 HB ILE 13 HB ILE 13 -16.667 4.238 0.018 112 1HG1 ILE 13 2HG1 ILE 13 -14.668 3.317 -1.287 113 2HG1 ILE 13 1HG1 ILE 13 -16.189 3.435 -2.150 114 1HG2 ILE 13 1HG2 ILE 13 -17.274 5.740 -2.013 115 2HG2 ILE 13 2HG2 ILE 13 -16.109 6.855 -1.299 116 3HG2 ILE 13 3HG2 ILE 13 -17.516 6.339 -0.372 117 1HD1 ILE 13 1HD1 ILE 13 -15.035 4.451 -3.749 118 2HD1 ILE 13 2HD1 ILE 13 -13.644 4.694 -2.695 119 3HD1 ILE 13 3HD1 ILE 13 -14.974 5.852 -2.681 120 H LEU 14 H LEU 14 -12.819 4.591 -0.900 121 HA LEU 14 HA LEU 14 -12.456 2.192 0.723 122 1HB LEU 14 2HB LEU 14 -11.804 1.032 -1.095 123 2HB LEU 14 1HB LEU 14 -12.830 2.221 -1.863 124 HG LEU 14 HG LEU 14 -11.039 2.199 -3.286 125 1HD1 LEU 14 1HD1 LEU 14 -11.374 4.484 -2.021 126 2HD1 LEU 14 2HD1 LEU 14 -10.101 4.265 -3.217 127 3HD1 LEU 14 3HD1 LEU 14 -9.723 4.162 -1.501 128 1HD2 LEU 14 1HD2 LEU 14 -8.820 2.277 -1.372 129 2HD2 LEU 14 2HD2 LEU 14 -9.020 1.338 -2.851 130 3HD2 LEU 14 3HD2 LEU 14 -9.774 0.794 -1.353 131 H LYS 15 H LYS 15 -11.191 5.048 1.099 132 HA LYS 15 HA LYS 15 -9.174 5.842 1.832 133 1HB LYS 15 2HB LYS 15 -8.198 4.381 3.594 134 2HB LYS 15 1HB LYS 15 -9.933 4.629 3.710 135 1HG LYS 15 2HG LYS 15 -8.878 2.198 2.347 136 2HG LYS 15 1HG LYS 15 -8.950 2.278 4.104 137 1HD LYS 15 2HD LYS 15 -11.428 3.204 2.916 138 2HD LYS 15 1HD LYS 15 -11.032 1.571 2.376 139 1HE LYS 15 2HE LYS 15 -11.176 0.688 4.490 140 2HE LYS 15 1HE LYS 15 -10.759 2.212 5.272 141 1HZ LYS 15 1HZ LYS 15 -13.155 1.382 5.439 142 2HZ LYS 15 2HZ LYS 15 -13.318 1.896 3.836 143 3HZ LYS 15 3HZ LYS 15 -12.911 3.009 5.043 144 H ARG 16 H ARG 16 -8.506 5.400 -0.732 145 HA ARG 16 HA ARG 16 -6.172 3.589 -0.715 146 1HB ARG 16 2HB ARG 16 -8.046 3.557 -2.539 147 2HB ARG 16 1HB ARG 16 -7.200 4.958 -3.176 148 1HG ARG 16 2HG ARG 16 -5.736 3.645 -4.184 149 2HG ARG 16 1HG ARG 16 -5.287 2.923 -2.639 150 1HD ARG 16 2HD ARG 16 -7.015 1.270 -2.843 151 2HD ARG 16 1HD ARG 16 -7.661 2.059 -4.282 152 HE ARG 16 HE ARG 16 -5.006 1.407 -4.806 153 1HH1 ARG 16 1HH1 ARG 16 -8.013 -0.237 -4.146 154 2HH1 ARG 16 2HH1 ARG 16 -7.591 -1.645 -5.063 155 1HH2 ARG 16 1HH2 ARG 16 -4.449 -0.445 -6.012 156 2HH2 ARG 16 2HH2 ARG 16 -5.567 -1.764 -6.120 157 H LYS 17 H LYS 17 -4.196 4.183 -1.574 158 HA LYS 17 HA LYS 17 -3.763 7.096 -1.603 159 1HB LYS 17 2HB LYS 17 -3.000 6.814 0.477 160 2HB LYS 17 1HB LYS 17 -2.791 5.085 0.279 161 1HG LYS 17 2HG LYS 17 -0.855 6.724 -1.162 162 2HG LYS 17 1HG LYS 17 -0.802 6.866 0.588 163 1HD LYS 17 2HD LYS 17 0.707 5.114 -0.109 164 2HD LYS 17 1HD LYS 17 -0.652 4.414 0.751 165 1HE LYS 17 2HE LYS 17 -0.176 3.068 -1.175 166 2HE LYS 17 1HE LYS 17 -1.703 3.893 -1.424 167 1HZ LYS 17 1HZ LYS 17 0.732 4.032 -2.907 168 2HZ LYS 17 2HZ LYS 17 0.125 5.553 -2.504 169 3HZ LYS 17 3HZ LYS 17 -0.831 4.460 -3.363 170 H GLU 18 H GLU 18 -1.744 7.803 -2.572 171 HA GLU 18 HA GLU 18 -0.492 5.902 -4.424 172 1HB GLU 18 2HB GLU 18 -0.603 8.561 -5.540 173 2HB GLU 18 1HB GLU 18 -1.036 7.022 -6.267 174 1HG GLU 18 2HG GLU 18 -3.206 7.279 -4.845 175 2HG GLU 18 1HG GLU 18 -2.755 8.983 -4.817 176 H ILE 19 H ILE 19 1.512 5.805 -3.643 177 HA ILE 19 HA ILE 19 2.860 8.331 -3.030 178 HB ILE 19 HB ILE 19 3.833 7.559 -1.078 179 1HG1 ILE 19 2HG1 ILE 19 4.589 5.405 -1.822 180 2HG1 ILE 19 1HG1 ILE 19 3.731 5.254 -0.295 181 1HG2 ILE 19 1HG2 ILE 19 0.973 6.921 -1.343 182 2HG2 ILE 19 2HG2 ILE 19 1.785 8.014 -0.231 183 3HG2 ILE 19 3HG2 ILE 19 1.782 6.287 0.082 184 1HD1 ILE 19 1HD1 ILE 19 2.883 3.515 -1.513 185 2HD1 ILE 19 2HD1 ILE 19 2.887 4.442 -3.010 186 3HD1 ILE 19 3HD1 ILE 19 1.700 4.786 -1.763 187 H LYS 20 H LYS 20 5.040 8.430 -3.350 188 HA LYS 20 HA LYS 20 5.996 6.465 -5.334 189 1HB LYS 20 2HB LYS 20 7.191 8.165 -6.245 190 2HB LYS 20 1HB LYS 20 6.090 9.185 -5.322 191 1HG LYS 20 2HG LYS 20 8.111 10.040 -4.692 192 2HG LYS 20 1HG LYS 20 7.842 8.853 -3.416 193 1HD LYS 20 2HD LYS 20 9.522 7.528 -4.120 194 2HD LYS 20 1HD LYS 20 9.169 7.811 -5.826 195 1HE LYS 20 2HE LYS 20 10.327 10.046 -4.236 196 2HE LYS 20 1HE LYS 20 11.388 8.715 -4.692 197 1HZ LYS 20 1HZ LYS 20 10.195 9.204 -7.014 198 2HZ LYS 20 2HZ LYS 20 11.635 9.952 -6.539 199 3HZ LYS 20 3HZ LYS 20 10.162 10.760 -6.351 200 H TYR 21 H TYR 21 7.746 5.112 -4.931 201 HA TYR 21 HA TYR 21 9.207 5.531 -2.394 202 1HB TYR 21 2HB TYR 21 8.573 3.495 -1.510 203 2HB TYR 21 1HB TYR 21 7.133 3.929 -2.399 204 HD1 TYR 21 1HD TYR 21 7.380 3.189 -5.042 205 HD2 TYR 21 2HD TYR 21 9.128 1.260 -1.685 206 HE1 TYR 21 1HE TYR 21 7.481 1.090 -6.313 207 HE2 TYR 21 2HE TYR 21 9.238 -0.850 -2.947 208 HH TYR 21 HH TYR 21 9.250 -1.635 -5.220 209 H VAL 22 H VAL 22 11.231 4.696 -2.190 210 HA VAL 22 HA VAL 22 12.383 3.240 -4.496 211 HB VAL 22 HB VAL 22 13.336 5.791 -3.725 212 1HG1 VAL 22 1HG1 VAL 22 15.399 3.704 -3.002 213 2HG1 VAL 22 2HG1 VAL 22 14.454 4.578 -1.799 214 3HG1 VAL 22 3HG1 VAL 22 15.547 5.457 -2.868 215 1HG2 VAL 22 1HG2 VAL 22 13.663 4.046 -5.816 216 2HG2 VAL 22 2HG2 VAL 22 15.281 4.110 -5.138 217 3HG2 VAL 22 3HG2 VAL 22 14.483 5.594 -5.658 218 H LEU 23 H LEU 23 13.566 1.409 -3.876 219 HA LEU 23 HA LEU 23 13.774 0.973 -1.030 220 1HB LEU 23 2HB LEU 23 12.189 -0.578 -2.110 221 2HB LEU 23 1HB LEU 23 13.390 -1.007 -3.309 222 HG LEU 23 HG LEU 23 14.714 -1.724 -1.062 223 1HD1 LEU 23 1HD1 LEU 23 12.737 -3.088 0.107 224 2HD1 LEU 23 2HD1 LEU 23 11.838 -1.650 -0.375 225 3HD1 LEU 23 3HD1 LEU 23 13.261 -1.498 0.656 226 1HD2 LEU 23 1HD2 LEU 23 14.618 -3.747 -2.010 227 2HD2 LEU 23 2HD2 LEU 23 13.602 -2.998 -3.241 228 3HD2 LEU 23 3HD2 LEU 23 12.861 -3.824 -1.871 229 H LYS 24 H LYS 24 15.803 0.835 -0.323 230 HA LYS 24 HA LYS 24 17.886 0.535 -2.363 231 1HB LYS 24 2HB LYS 24 18.339 1.290 0.514 232 2HB LYS 24 1HB LYS 24 19.395 1.574 -0.854 233 1HG LYS 24 2HG LYS 24 18.055 3.318 -1.670 234 2HG LYS 24 1HG LYS 24 16.699 2.864 -0.633 235 1HD LYS 24 2HD LYS 24 18.792 3.295 1.129 236 2HD LYS 24 1HD LYS 24 18.969 4.573 -0.074 237 1HE LYS 24 2HE LYS 24 16.850 5.428 0.362 238 2HE LYS 24 1HE LYS 24 16.319 3.965 1.181 239 1HZ LYS 24 1HZ LYS 24 17.058 6.130 2.483 240 2HZ LYS 24 2HZ LYS 24 18.577 5.396 2.349 241 3HZ LYS 24 3HZ LYS 24 17.305 4.577 3.107 242 H PHE 25 H PHE 25 18.795 -1.335 -2.564 243 HA PHE 25 HA PHE 25 18.572 -3.185 -0.315 244 1HB PHE 25 2HB PHE 25 18.868 -4.835 -2.344 245 2HB PHE 25 1HB PHE 25 17.307 -4.222 -1.885 246 HD1 PHE 25 1HD PHE 25 16.278 -2.395 -3.222 247 HD2 PHE 25 2HD PHE 25 19.847 -4.371 -4.434 248 HE1 PHE 25 1HE PHE 25 15.955 -1.570 -5.515 249 HE2 PHE 25 2HE PHE 25 19.533 -3.544 -6.729 250 HZ PHE 25 HZ PHE 25 17.583 -2.141 -7.272 251 H ASP 26 H ASP 26 20.264 -4.122 0.468 252 HA ASP 26 HA ASP 26 22.869 -3.219 -0.368 253 1HB ASP 26 2HB ASP 26 23.682 -4.227 1.611 254 2HB ASP 26 1HB ASP 26 22.091 -3.584 2.013 255 H SER 27 H SER 27 24.524 -4.376 -1.275 256 HA SER 27 HA SER 27 23.896 -6.393 -3.101 257 1HB SER 27 2HB SER 27 26.619 -5.784 -1.930 258 2HB SER 27 1HB SER 27 26.295 -6.609 -3.455 259 HG SER 27 HG SER 27 25.136 -4.578 -4.013 260 H SER 28 H SER 28 24.281 -8.610 -3.143 261 HA SER 28 HA SER 28 24.301 -10.729 -2.317 262 1HB SER 28 2HB SER 28 25.958 -9.927 0.029 263 2HB SER 28 1HB SER 28 26.131 -11.311 -1.048 264 HG SER 28 HG SER 28 27.004 -8.669 -1.377 265 H ARG 29 H ARG 29 22.066 -9.359 -1.641 266 HA ARG 29 HA ARG 29 21.552 -10.243 1.121 267 1HB ARG 29 2HB ARG 29 20.260 -8.386 1.584 268 2HB ARG 29 1HB ARG 29 21.516 -7.691 0.571 269 1HG ARG 29 2HG ARG 29 20.061 -7.100 -1.017 270 2HG ARG 29 1HG ARG 29 19.203 -8.633 -0.939 271 1HD ARG 29 2HD ARG 29 17.941 -7.893 0.965 272 2HD ARG 29 1HD ARG 29 18.895 -6.413 1.073 273 HE ARG 29 HE ARG 29 17.479 -5.502 -0.450 274 1HH1 ARG 29 1HH1 ARG 29 17.420 -8.963 -0.877 275 2HH1 ARG 29 2HH1 ARG 29 16.249 -8.911 -2.148 276 1HH2 ARG 29 1HH2 ARG 29 15.917 -5.439 -2.117 277 2HH2 ARG 29 2HH2 ARG 29 15.397 -6.918 -2.852 278 H THR 30 H THR 30 19.413 -10.986 1.570 279 HA THR 30 HA THR 30 18.211 -12.329 -0.737 280 HB THR 30 HB THR 30 18.001 -12.779 2.232 281 HG1 THR 30 1HG THR 30 19.890 -13.567 1.261 282 1HG2 THR 30 1HG2 THR 30 16.968 -14.990 0.809 283 2HG2 THR 30 2HG2 THR 30 16.111 -13.549 0.261 284 3HG2 THR 30 3HG2 THR 30 16.149 -13.955 1.977 285 HA PRO 31 HA PRO 31 14.909 -9.290 -0.616 286 1HB PRO 31 2HB PRO 31 13.394 -11.294 -2.160 287 2HB PRO 31 1HB PRO 31 13.824 -9.638 -2.592 288 1HG PRO 31 2HG PRO 31 14.998 -11.764 -3.749 289 2HG PRO 31 1HG PRO 31 15.870 -10.251 -3.453 290 1HD PRO 31 2HD PRO 31 15.988 -12.836 -1.962 291 2HD PRO 31 1HD PRO 31 17.285 -11.678 -2.324 292 H SER 32 H SER 32 13.485 -9.019 1.010 293 HA SER 32 HA SER 32 12.247 -11.441 2.158 294 1HB SER 32 2HB SER 32 13.752 -9.494 3.398 295 2HB SER 32 1HB SER 32 12.106 -8.955 3.725 296 HG SER 32 HG SER 32 12.985 -10.447 5.297 297 H ARG 33 H ARG 33 10.031 -11.365 2.782 298 HA ARG 33 HA ARG 33 8.382 -9.840 1.007 299 1HB ARG 33 2HB ARG 33 6.496 -10.924 2.291 300 2HB ARG 33 1HB ARG 33 7.615 -12.024 1.503 301 1HG ARG 33 2HG ARG 33 7.767 -13.084 3.441 302 2HG ARG 33 1HG ARG 33 8.677 -11.698 4.040 303 1HD ARG 33 2HD ARG 33 7.036 -11.152 5.438 304 2HD ARG 33 1HD ARG 33 5.855 -11.154 4.131 305 HE ARG 33 HE ARG 33 6.161 -13.136 6.113 306 1HH1 ARG 33 1HH1 ARG 33 5.522 -12.785 2.699 307 2HH1 ARG 33 2HH1 ARG 33 4.631 -14.265 2.587 308 1HH2 ARG 33 1HH2 ARG 33 4.990 -15.086 5.965 309 2HH2 ARG 33 2HH2 ARG 33 4.329 -15.571 4.439 310 H GLU 34 H GLU 34 8.838 -9.896 4.513 311 HA GLU 34 HA GLU 34 7.114 -7.670 5.018 312 1HB GLU 34 2HB GLU 34 7.987 -9.684 6.546 313 2HB GLU 34 1HB GLU 34 9.167 -8.464 7.007 314 1HG GLU 34 2HG GLU 34 6.687 -7.177 7.076 315 2HG GLU 34 1HG GLU 34 6.430 -8.756 7.815 316 H GLU 35 H GLU 35 10.643 -8.072 4.832 317 HA GLU 35 HA GLU 35 11.360 -5.584 5.811 318 1HB GLU 35 2HB GLU 35 12.780 -7.665 5.037 319 2HB GLU 35 1HB GLU 35 12.918 -6.743 3.546 320 1HG GLU 35 2HG GLU 35 14.817 -6.230 4.843 321 2HG GLU 35 1HG GLU 35 13.755 -4.825 4.930 322 H ILE 36 H ILE 36 10.863 -6.438 2.351 323 HA ILE 36 HA ILE 36 11.175 -3.692 1.579 324 HB ILE 36 HB ILE 36 11.783 -5.342 -0.046 325 1HG1 ILE 36 2HG1 ILE 36 9.220 -3.994 -0.917 326 2HG1 ILE 36 1HG1 ILE 36 10.817 -3.253 -0.918 327 1HG2 ILE 36 1HG2 ILE 36 10.616 -7.175 -0.614 328 2HG2 ILE 36 2HG2 ILE 36 9.071 -6.325 -0.599 329 3HG2 ILE 36 3HG2 ILE 36 9.786 -6.879 0.911 330 1HD1 ILE 36 1HD1 ILE 36 11.053 -3.962 -2.998 331 2HD1 ILE 36 2HD1 ILE 36 9.568 -4.909 -2.899 332 3HD1 ILE 36 3HD1 ILE 36 11.098 -5.612 -2.376 333 H LYS 37 H LYS 37 8.420 -5.889 1.578 334 HA LYS 37 HA LYS 37 6.427 -4.070 0.898 335 1HB LYS 37 2HB LYS 37 6.349 -6.651 1.106 336 2HB LYS 37 1HB LYS 37 5.864 -6.330 2.766 337 1HG LYS 37 2HG LYS 37 3.846 -6.561 1.660 338 2HG LYS 37 1HG LYS 37 4.069 -4.811 1.714 339 1HD LYS 37 2HD LYS 37 3.331 -5.451 -0.494 340 2HD LYS 37 1HD LYS 37 5.007 -4.899 -0.576 341 1HE LYS 37 2HE LYS 37 5.093 -7.669 -0.077 342 2HE LYS 37 1HE LYS 37 3.886 -7.426 -1.338 343 1HZ LYS 37 1HZ LYS 37 5.832 -7.619 -2.527 344 2HZ LYS 37 2HZ LYS 37 6.761 -6.792 -1.380 345 3HZ LYS 37 3HZ LYS 37 5.698 -5.940 -2.381 346 H GLU 38 H GLU 38 7.254 -5.089 4.213 347 HA GLU 38 HA GLU 38 5.385 -3.245 5.260 348 1HB GLU 38 2HB GLU 38 5.871 -4.087 7.279 349 2HB GLU 38 1HB GLU 38 6.512 -5.376 6.285 350 1HG GLU 38 2HG GLU 38 8.429 -5.180 7.379 351 2HG GLU 38 1HG GLU 38 8.645 -3.602 6.633 352 H LEU 39 H LEU 39 8.828 -2.975 4.495 353 HA LEU 39 HA LEU 39 9.046 -0.434 5.810 354 1HB LEU 39 2HB LEU 39 11.181 -1.030 5.595 355 2HB LEU 39 1HB LEU 39 10.796 -2.216 4.377 356 HG LEU 39 HG LEU 39 10.829 0.564 3.431 357 1HD1 LEU 39 1HD1 LEU 39 12.966 -0.360 5.048 358 2HD1 LEU 39 2HD1 LEU 39 12.851 1.137 4.129 359 3HD1 LEU 39 3HD1 LEU 39 13.524 -0.308 3.376 360 1HD2 LEU 39 1HD2 LEU 39 11.691 -0.401 1.480 361 2HD2 LEU 39 2HD2 LEU 39 10.530 -1.580 2.089 362 3HD2 LEU 39 3HD2 LEU 39 12.255 -1.835 2.339 363 H ILE 40 H ILE 40 8.057 -1.544 2.648 364 HA ILE 40 HA ILE 40 8.103 1.083 1.528 365 HB ILE 40 HB ILE 40 7.160 0.211 -0.465 366 1HG1 ILE 40 2HG1 ILE 40 6.748 -2.314 1.111 367 2HG1 ILE 40 1HG1 ILE 40 5.502 -1.321 0.365 368 1HG2 ILE 40 1HG2 ILE 40 9.572 -0.638 0.688 369 2HG2 ILE 40 2HG2 ILE 40 9.164 -0.515 -1.020 370 3HG2 ILE 40 3HG2 ILE 40 8.901 -2.026 -0.166 371 1HD1 ILE 40 1HD1 ILE 40 7.250 -3.356 -0.805 372 2HD1 ILE 40 2HD1 ILE 40 7.067 -1.889 -1.766 373 3HD1 ILE 40 3HD1 ILE 40 5.644 -2.816 -1.292 374 H ALA 41 H ALA 41 5.355 -1.054 2.438 375 HA ALA 41 HA ALA 41 3.386 0.883 1.868 376 1HB ALA 41 1HB ALA 41 3.459 -1.688 3.159 377 2HB ALA 41 2HB ALA 41 2.142 -0.911 2.280 378 3HB ALA 41 3HB ALA 41 2.369 -0.590 3.996 379 H LYS 42 H LYS 42 4.896 -0.007 4.899 380 HA LYS 42 HA LYS 42 3.502 1.687 6.560 381 1HB LYS 42 2HB LYS 42 6.354 0.766 6.885 382 2HB LYS 42 1HB LYS 42 5.233 1.226 8.170 383 1HG LYS 42 2HG LYS 42 3.721 -0.628 7.383 384 2HG LYS 42 1HG LYS 42 5.034 -1.182 6.323 385 1HD LYS 42 2HD LYS 42 6.395 -1.717 8.181 386 2HD LYS 42 1HD LYS 42 5.375 -0.820 9.305 387 1HE LYS 42 2HE LYS 42 4.044 -2.982 7.790 388 2HE LYS 42 1HE LYS 42 5.248 -3.501 8.971 389 1HZ LYS 42 1HZ LYS 42 2.712 -3.030 9.586 390 2HZ LYS 42 2HZ LYS 42 3.352 -1.493 9.882 391 3HZ LYS 42 3HZ LYS 42 3.977 -2.838 10.692 392 H HIS 43 H HIS 43 6.578 2.242 4.897 393 HA HIS 43 HA HIS 43 6.857 4.959 5.669 394 1HB HIS 43 2HB HIS 43 7.862 3.291 3.395 395 2HB HIS 43 1HB HIS 43 8.078 5.025 3.363 396 HD1 HIS 43 1HD HIS 43 10.259 5.754 4.284 397 HD2 HIS 43 2HD HIS 43 8.967 2.204 6.011 398 HE1 HIS 43 1HE HIS 43 12.088 5.075 5.869 399 HE2 HIS 43 2HE HIS 43 11.333 2.868 6.820 400 H GLU 44 H GLU 44 5.410 3.273 2.959 401 HA GLU 44 HA GLU 44 4.584 5.324 1.370 402 1HB GLU 44 2HB GLU 44 3.376 2.668 1.882 403 2HB GLU 44 1HB GLU 44 2.699 3.796 0.720 404 1HG GLU 44 2HG GLU 44 4.541 3.654 -0.687 405 2HG GLU 44 1HG GLU 44 5.587 3.051 0.572 406 H GLY 45 H GLY 45 3.617 4.728 4.510 407 1HA GLY 45 2HA GLY 45 2.392 6.425 5.669 408 2HA GLY 45 1HA GLY 45 1.527 6.756 4.167 409 H VAL 46 H VAL 46 2.175 3.486 5.073 410 HA VAL 46 HA VAL 46 -0.494 3.105 6.173 411 HB VAL 46 HB VAL 46 -0.695 1.274 4.236 412 1HG1 VAL 46 1HG1 VAL 46 -1.612 3.833 3.242 413 2HG1 VAL 46 2HG1 VAL 46 -1.936 3.659 4.966 414 3HG1 VAL 46 3HG1 VAL 46 -2.546 2.459 3.829 415 1HG2 VAL 46 1HG2 VAL 46 1.214 3.335 3.269 416 2HG2 VAL 46 2HG2 VAL 46 -0.079 2.880 2.172 417 3HG2 VAL 46 3HG2 VAL 46 1.027 1.652 2.785 418 H ASP 47 H ASP 47 -1.023 0.761 6.553 419 HA ASP 47 HA ASP 47 1.178 -0.483 7.930 420 1HB ASP 47 2HB ASP 47 -1.519 -1.726 7.523 421 2HB ASP 47 1HB ASP 47 -0.417 -1.913 8.885 422 H LYS 48 H LYS 48 1.024 -3.049 7.797 423 HA LYS 48 HA LYS 48 2.242 -3.808 5.365 424 1HB LYS 48 2HB LYS 48 2.164 -6.115 6.388 425 2HB LYS 48 1HB LYS 48 2.980 -4.880 7.338 426 1HG LYS 48 2HG LYS 48 1.457 -4.955 8.998 427 2HG LYS 48 1HG LYS 48 0.110 -5.246 7.896 428 1HD LYS 48 2HD LYS 48 0.153 -7.342 8.685 429 2HD LYS 48 1HD LYS 48 1.574 -7.552 7.661 430 1HE LYS 48 2HE LYS 48 3.047 -7.307 9.431 431 2HE LYS 48 1HE LYS 48 1.869 -6.448 10.423 432 1HZ LYS 48 1HZ LYS 48 0.958 -8.358 11.161 433 2HZ LYS 48 2HZ LYS 48 2.488 -8.988 10.803 434 3HZ LYS 48 3HZ LYS 48 1.213 -9.194 9.711 435 H GLU 49 H GLU 49 -1.056 -4.035 6.494 436 HA GLU 49 HA GLU 49 -1.842 -6.070 4.629 437 1HB GLU 49 2HB GLU 49 -3.258 -4.226 6.497 438 2HB GLU 49 1HB GLU 49 -4.185 -4.919 5.183 439 1HG GLU 49 2HG GLU 49 -3.098 -6.187 7.612 440 2HG GLU 49 1HG GLU 49 -4.604 -6.484 6.750 441 H LEU 50 H LEU 50 -1.984 -2.594 4.708 442 HA LEU 50 HA LEU 50 -3.308 -2.159 2.283 443 1HB LEU 50 2HB LEU 50 -1.668 -0.016 3.375 444 2HB LEU 50 1HB LEU 50 -3.363 -0.012 2.965 445 HG LEU 50 HG LEU 50 -2.054 -0.778 5.557 446 1HD1 LEU 50 1HD1 LEU 50 -2.588 1.431 5.695 447 2HD1 LEU 50 2HD1 LEU 50 -4.103 0.722 6.254 448 3HD1 LEU 50 3HD1 LEU 50 -3.953 1.285 4.590 449 1HD2 LEU 50 1HD2 LEU 50 -4.283 -2.136 4.429 450 2HD2 LEU 50 2HD2 LEU 50 -4.862 -1.133 5.755 451 3HD2 LEU 50 3HD2 LEU 50 -3.583 -2.312 6.036 452 H VAL 51 H VAL 51 -0.529 -3.652 2.206 453 HA VAL 51 HA VAL 51 0.869 -1.668 0.566 454 HB VAL 51 HB VAL 51 2.040 -4.357 0.873 455 1HG1 VAL 51 1HG1 VAL 51 3.922 -2.628 1.629 456 2HG1 VAL 51 2HG1 VAL 51 2.900 -1.545 0.688 457 3HG1 VAL 51 3HG1 VAL 51 3.568 -2.995 -0.058 458 1HG2 VAL 51 1HG2 VAL 51 1.407 -4.412 3.050 459 2HG2 VAL 51 2HG2 VAL 51 1.272 -2.664 3.193 460 3HG2 VAL 51 3HG2 VAL 51 2.858 -3.438 3.222 461 H ILE 52 H ILE 52 0.501 -1.558 -1.501 462 HA ILE 52 HA ILE 52 0.450 -4.011 -3.103 463 HB ILE 52 HB ILE 52 -1.047 -2.007 -4.505 464 1HG1 ILE 52 2HG1 ILE 52 -2.698 -2.898 -2.220 465 2HG1 ILE 52 1HG1 ILE 52 -1.576 -1.584 -1.900 466 1HG2 ILE 52 1HG2 ILE 52 -1.339 -4.152 -5.240 467 2HG2 ILE 52 2HG2 ILE 52 -2.803 -3.928 -4.285 468 3HG2 ILE 52 3HG2 ILE 52 -1.439 -4.818 -3.610 469 1HD1 ILE 52 1HD1 ILE 52 -2.980 -0.151 -2.823 470 2HD1 ILE 52 2HD1 ILE 52 -4.120 -1.468 -3.098 471 3HD1 ILE 52 3HD1 ILE 52 -2.937 -1.050 -4.338 472 H VAL 53 H VAL 53 2.491 -3.807 -4.126 473 HA VAL 53 HA VAL 53 2.813 -1.254 -5.541 474 HB VAL 53 HB VAL 53 4.956 -0.794 -4.836 475 1HG1 VAL 53 1HG1 VAL 53 5.043 -1.131 -2.340 476 2HG1 VAL 53 2HG1 VAL 53 3.556 -2.064 -2.493 477 3HG1 VAL 53 3HG1 VAL 53 3.579 -0.363 -2.958 478 1HG2 VAL 53 1HG2 VAL 53 5.208 -3.669 -4.007 479 2HG2 VAL 53 2HG2 VAL 53 6.389 -2.428 -3.591 480 3HG2 VAL 53 3HG2 VAL 53 6.084 -2.824 -5.283 481 H ASP 54 H ASP 54 2.821 -1.642 -7.587 482 HA ASP 54 HA ASP 54 4.234 -4.005 -8.635 483 1HB ASP 54 2HB ASP 54 1.641 -2.740 -9.392 484 2HB ASP 54 1HB ASP 54 2.613 -3.463 -10.670 485 H ASN 55 H ASN 55 5.304 -3.786 -10.658 486 HA ASN 55 HA ASN 55 6.792 -2.768 -12.042 487 1HB ASN 55 2HB ASN 55 4.560 -0.757 -11.916 488 2HB ASN 55 1HB ASN 55 6.004 -0.444 -12.875 489 1HD2 ASN 55 1HD2 ASN 55 6.278 -1.466 -14.787 490 2HD2 ASN 55 2HD2 ASN 55 5.118 -2.538 -15.485 491 H ASN 56 H ASN 56 8.570 -1.414 -12.060 492 HA ASN 56 HA ASN 56 8.816 0.586 -9.956 493 1HB ASN 56 2HB ASN 56 10.178 -2.024 -9.961 494 2HB ASN 56 1HB ASN 56 11.221 -0.639 -9.658 495 1HD2 ASN 56 1HD2 ASN 56 11.049 0.474 -7.774 496 2HD2 ASN 56 2HD2 ASN 56 10.055 -0.032 -6.457 497 H LYS 57 H LYS 57 9.663 2.350 -10.793 498 HA LYS 57 HA LYS 57 11.220 2.231 -13.259 499 1HB LYS 57 2HB LYS 57 10.931 4.634 -13.336 500 2HB LYS 57 1HB LYS 57 9.377 3.904 -12.961 501 1HG LYS 57 2HG LYS 57 10.353 4.352 -10.470 502 2HG LYS 57 1HG LYS 57 11.058 5.696 -11.359 503 1HD LYS 57 2HD LYS 57 8.691 6.081 -12.274 504 2HD LYS 57 1HD LYS 57 8.161 5.034 -10.956 505 1HE LYS 57 2HE LYS 57 8.455 6.650 -9.420 506 2HE LYS 57 1HE LYS 57 10.032 7.085 -10.079 507 1HZ LYS 57 1HZ LYS 57 7.751 7.877 -11.685 508 2HZ LYS 57 2HZ LYS 57 9.163 8.731 -11.311 509 3HZ LYS 57 3HZ LYS 57 7.894 8.665 -10.195 510 H GLN 58 H GLN 58 13.398 1.942 -13.047 511 HA GLN 58 HA GLN 58 14.656 2.835 -10.555 512 1HB GLN 58 2HB GLN 58 14.907 0.477 -11.660 513 2HB GLN 58 1HB GLN 58 16.098 1.284 -12.671 514 1HG GLN 58 2HG GLN 58 16.859 2.098 -10.194 515 2HG GLN 58 1HG GLN 58 16.241 0.480 -9.863 516 1HE2 GLN 58 1HE2 GLN 58 18.231 2.123 -12.303 517 2HE2 GLN 58 2HE2 GLN 58 19.440 0.891 -12.392 518 H LEU 59 H LEU 59 15.315 4.887 -10.628 519 HA LEU 59 HA LEU 59 16.910 5.748 -12.950 520 1HB LEU 59 2HB LEU 59 16.171 8.122 -11.990 521 2HB LEU 59 1HB LEU 59 15.249 7.258 -13.201 522 HG LEU 59 HG LEU 59 13.873 8.272 -11.397 523 1HD1 LEU 59 1HD1 LEU 59 12.483 6.734 -12.169 524 2HD1 LEU 59 2HD1 LEU 59 12.975 5.723 -10.812 525 3HD1 LEU 59 3HD1 LEU 59 13.776 5.554 -12.373 526 1HD2 LEU 59 1HD2 LEU 59 15.293 8.003 -9.490 527 2HD2 LEU 59 2HD2 LEU 59 15.296 6.251 -9.671 528 3HD2 LEU 59 3HD2 LEU 59 13.815 7.084 -9.209 529 H THR 60 H THR 60 18.988 5.811 -12.400 530 HA THR 60 HA THR 60 20.262 7.509 -10.784 531 HB THR 60 HB THR 60 19.216 6.930 -8.762 532 HG1 THR 60 1HG THR 60 20.934 6.470 -7.619 533 1HG2 THR 60 1HG2 THR 60 18.285 4.983 -8.268 534 2HG2 THR 60 2HG2 THR 60 19.793 4.112 -8.539 535 3HG2 THR 60 3HG2 THR 60 18.714 4.454 -9.893 536 H GLY 61 H GLY 61 20.266 3.948 -10.968 537 1HA GLY 61 2HA GLY 61 21.817 2.685 -12.239 538 2HA GLY 61 1HA GLY 61 22.879 4.086 -12.287 539 H LYS 62 H LYS 62 22.172 4.287 -9.247 540 HA LYS 62 HA LYS 62 24.558 3.209 -8.282 541 1HB LYS 62 2HB LYS 62 22.052 4.221 -7.000 542 2HB LYS 62 1HB LYS 62 23.248 3.404 -6.005 543 1HG LYS 62 2HG LYS 62 24.907 5.026 -6.525 544 2HG LYS 62 1HG LYS 62 23.890 5.750 -7.771 545 1HD LYS 62 2HD LYS 62 23.650 7.201 -5.964 546 2HD LYS 62 1HD LYS 62 22.219 6.175 -5.857 547 1HE LYS 62 2HE LYS 62 22.963 6.191 -3.671 548 2HE LYS 62 1HE LYS 62 23.701 4.719 -4.300 549 1HZ LYS 62 1HZ LYS 62 25.058 6.575 -2.987 550 2HZ LYS 62 2HZ LYS 62 25.264 7.158 -4.561 551 3HZ LYS 62 3HZ LYS 62 25.761 5.591 -4.171 552 H HIS 63 H HIS 63 21.554 2.097 -6.781 553 HA HIS 63 HA HIS 63 21.644 -0.556 -7.697 554 1HB HIS 63 2HB HIS 63 23.435 0.099 -5.457 555 2HB HIS 63 1HB HIS 63 22.402 -1.300 -5.183 556 HD1 HIS 63 1HD HIS 63 25.526 -1.434 -5.561 557 HD2 HIS 63 2HD HIS 63 22.690 -2.197 -8.502 558 HE1 HIS 63 1HE HIS 63 26.681 -2.902 -7.244 559 HE2 HIS 63 2HE HIS 63 24.921 -3.421 -8.971 560 H GLU 64 H GLU 64 19.804 1.697 -6.693 561 HA GLU 64 HA GLU 64 18.145 -0.024 -5.026 562 1HB GLU 64 2HB GLU 64 18.364 2.980 -4.799 563 2HB GLU 64 1HB GLU 64 17.467 1.895 -3.740 564 1HG GLU 64 2HG GLU 64 19.328 1.206 -2.635 565 2HG GLU 64 1HG GLU 64 20.346 1.319 -4.051 566 H ILE 65 H ILE 65 15.838 0.311 -5.364 567 HA ILE 65 HA ILE 65 15.353 1.227 -8.123 568 HB ILE 65 HB ILE 65 15.125 -1.247 -7.365 569 1HG1 ILE 65 2HG1 ILE 65 12.904 0.097 -8.912 570 2HG1 ILE 65 1HG1 ILE 65 14.460 -0.397 -9.573 571 1HG2 ILE 65 1HG2 ILE 65 12.979 -1.892 -6.500 572 2HG2 ILE 65 2HG2 ILE 65 12.452 -0.210 -6.464 573 3HG2 ILE 65 3HG2 ILE 65 13.747 -0.752 -5.395 574 1HD1 ILE 65 1HD1 ILE 65 12.433 -2.262 -8.365 575 2HD1 ILE 65 2HD1 ILE 65 13.945 -2.712 -9.153 576 3HD1 ILE 65 3HD1 ILE 65 12.648 -1.973 -10.091 577 H GLU 66 H GLU 66 13.700 2.478 -8.639 578 HA GLU 66 HA GLU 66 12.021 3.548 -6.467 579 1HB GLU 66 2HB GLU 66 13.751 5.100 -7.524 580 2HB GLU 66 1HB GLU 66 12.820 4.989 -9.004 581 1HG GLU 66 2HG GLU 66 11.958 6.902 -8.167 582 2HG GLU 66 1HG GLU 66 10.859 5.754 -7.418 583 H GLY 67 H GLY 67 9.902 4.359 -7.224 584 1HA GLY 67 2HA GLY 67 8.774 3.781 -9.691 585 2HA GLY 67 1HA GLY 67 8.558 2.352 -8.693 586 H TYR 68 H TYR 68 6.296 2.656 -8.771 587 HA TYR 68 HA TYR 68 5.408 4.808 -6.971 588 1HB TYR 68 2HB TYR 68 4.017 3.685 -9.410 589 2HB TYR 68 1HB TYR 68 3.205 4.681 -8.210 590 HD1 TYR 68 1HD TYR 68 5.119 4.681 -11.205 591 HD2 TYR 68 2HD TYR 68 4.207 7.021 -7.769 592 HE1 TYR 68 1HE TYR 68 5.863 6.702 -12.390 593 HE2 TYR 68 2HE TYR 68 4.947 9.048 -8.946 594 HH TYR 68 HH TYR 68 6.297 9.724 -10.782 595 H THR 69 H THR 69 4.273 4.215 -5.299 596 HA THR 69 HA THR 69 3.637 1.366 -5.009 597 HB THR 69 HB THR 69 3.608 2.414 -2.472 598 HG1 THR 69 1HG THR 69 5.388 3.801 -2.370 599 1HG2 THR 69 1HG2 THR 69 6.230 1.865 -2.715 600 2HG2 THR 69 2HG2 THR 69 5.560 0.953 -4.066 601 3HG2 THR 69 3HG2 THR 69 4.981 0.676 -2.428 602 H LYS 70 H LYS 70 1.622 0.695 -4.451 603 HA LYS 70 HA LYS 70 -0.487 2.748 -4.167 604 1HB LYS 70 2HB LYS 70 -0.272 0.917 -6.190 605 2HB LYS 70 1HB LYS 70 -1.294 0.053 -5.051 606 1HG LYS 70 2HG LYS 70 -2.899 1.861 -5.062 607 2HG LYS 70 1HG LYS 70 -1.853 2.813 -6.119 608 1HD LYS 70 2HD LYS 70 -2.497 0.123 -7.110 609 2HD LYS 70 1HD LYS 70 -3.876 1.216 -6.979 610 1HE LYS 70 2HE LYS 70 -3.157 2.530 -8.660 611 2HE LYS 70 1HE LYS 70 -1.466 2.394 -8.178 612 1HZ LYS 70 1HZ LYS 70 -1.483 1.266 -10.157 613 2HZ LYS 70 2HZ LYS 70 -3.040 0.645 -9.937 614 3HZ LYS 70 3HZ LYS 70 -1.740 -0.012 -9.076 615 H ILE 71 H ILE 71 -2.022 2.450 -2.479 616 HA ILE 71 HA ILE 71 -1.580 0.014 -0.885 617 HB ILE 71 HB ILE 71 -1.234 2.775 0.083 618 1HG1 ILE 71 2HG1 ILE 71 0.235 0.753 1.441 619 2HG1 ILE 71 1HG1 ILE 71 0.288 0.407 -0.279 620 1HG2 ILE 71 1HG2 ILE 71 -2.812 0.814 1.484 621 2HG2 ILE 71 2HG2 ILE 71 -2.574 2.522 1.817 622 3HG2 ILE 71 3HG2 ILE 71 -1.409 1.337 2.390 623 1HD1 ILE 71 1HD1 ILE 71 2.091 1.884 0.811 624 2HD1 ILE 71 2HD1 ILE 71 0.884 3.156 0.688 625 3HD1 ILE 71 3HD1 ILE 71 1.440 2.325 -0.763 626 H TYR 72 H TYR 72 -3.097 -0.816 0.360 627 HA TYR 72 HA TYR 72 -5.769 0.434 0.147 628 1HB TYR 72 2HB TYR 72 -6.827 -1.762 -0.031 629 2HB TYR 72 1HB TYR 72 -5.753 -1.440 -1.381 630 HD1 TYR 72 1HD TYR 72 -6.941 -4.020 0.279 631 HD2 TYR 72 2HD TYR 72 -3.130 -2.266 -0.407 632 HE1 TYR 72 1HE TYR 72 -5.877 -6.207 0.616 633 HE2 TYR 72 2HE TYR 72 -2.056 -4.443 -0.057 634 HH TYR 72 HH TYR 72 -2.489 -6.565 0.986 635 H ALA 73 H ALA 73 -6.532 1.019 1.970 636 HA ALA 73 HA ALA 73 -5.562 -0.091 4.465 637 1HB ALA 73 1HB ALA 73 -7.347 1.826 5.182 638 2HB ALA 73 2HB ALA 73 -6.808 2.409 3.608 639 3HB ALA 73 3HB ALA 73 -5.633 2.106 4.885 640 H ASP 74 H ASP 74 -8.210 -0.585 2.407 641 HA ASP 74 HA ASP 74 -10.181 -1.144 4.403 642 1HB ASP 74 2HB ASP 74 -10.785 -0.450 2.118 643 2HB ASP 74 1HB ASP 74 -10.106 -1.948 1.488 644 H LYS 75 H LYS 75 -7.474 -2.856 3.358 645 HA LYS 75 HA LYS 75 -8.446 -5.502 3.406 646 1HB LYS 75 2HB LYS 75 -6.125 -4.458 2.659 647 2HB LYS 75 1HB LYS 75 -5.665 -4.928 4.287 648 1HG LYS 75 2HG LYS 75 -6.834 -6.784 2.229 649 2HG LYS 75 1HG LYS 75 -5.117 -6.632 2.600 650 1HD LYS 75 2HD LYS 75 -5.455 -8.258 4.095 651 2HD LYS 75 1HD LYS 75 -6.254 -7.029 5.077 652 1HE LYS 75 2HE LYS 75 -8.403 -7.634 4.146 653 2HE LYS 75 1HE LYS 75 -7.636 -8.778 3.044 654 1HZ LYS 75 1HZ LYS 75 -7.496 -10.321 4.633 655 2HZ LYS 75 2HZ LYS 75 -8.647 -9.399 5.464 656 3HZ LYS 75 3HZ LYS 75 -7.003 -9.221 5.820 657 HA PRO 76 HA PRO 76 -6.846 -5.634 8.024 658 1HB PRO 76 2HB PRO 76 -6.898 -3.161 9.256 659 2HB PRO 76 1HB PRO 76 -5.443 -3.943 8.629 660 1HG PRO 76 2HG PRO 76 -7.151 -1.832 7.383 661 2HG PRO 76 1HG PRO 76 -5.385 -1.992 7.387 662 1HD PRO 76 2HD PRO 76 -6.845 -2.655 5.239 663 2HD PRO 76 1HD PRO 76 -5.402 -3.580 5.694 664 H SER 77 H SER 77 -9.033 -2.916 7.304 665 HA SER 77 HA SER 77 -10.818 -3.449 9.433 666 1HB SER 77 2HB SER 77 -11.909 -2.167 6.993 667 2HB SER 77 1HB SER 77 -11.982 -1.638 8.674 668 HG SER 77 HG SER 77 -9.644 -1.186 8.371 669 H ALA 78 H ALA 78 -10.514 -4.634 6.169 670 HA ALA 78 HA ALA 78 -13.091 -5.843 6.008 671 1HB ALA 78 1HB ALA 78 -10.557 -6.231 4.429 672 2HB ALA 78 2HB ALA 78 -11.999 -5.326 3.965 673 3HB ALA 78 3HB ALA 78 -12.059 -7.086 4.076 674 H MET 79 H MET 79 -9.854 -7.007 6.886 675 HA MET 79 HA MET 79 -10.544 -9.728 7.133 676 1HB MET 79 2HB MET 79 -8.219 -8.355 7.218 677 2HB MET 79 1HB MET 79 -8.447 -8.671 8.933 678 1HG MET 79 2HG MET 79 -8.587 -10.836 6.860 679 2HG MET 79 1HG MET 79 -7.079 -10.351 7.633 680 1HE MET 79 1HE MET 79 -10.429 -11.920 7.791 681 2HE MET 79 2HE MET 79 -10.420 -12.920 9.244 682 3HE MET 79 3HE MET 79 -9.367 -13.323 7.888 683 H LEU 80 H LEU 80 -10.474 -7.090 9.498 684 HA LEU 80 HA LEU 80 -11.292 -8.780 11.670 685 1HB LEU 80 2HB LEU 80 -9.973 -6.476 11.619 686 2HB LEU 80 1HB LEU 80 -11.591 -5.824 11.801 687 HG LEU 80 HG LEU 80 -10.595 -6.011 13.974 688 1HD1 LEU 80 1HD1 LEU 80 -13.034 -6.822 13.462 689 2HD1 LEU 80 2HD1 LEU 80 -12.334 -7.025 15.068 690 3HD1 LEU 80 3HD1 LEU 80 -12.388 -8.389 13.951 691 1HD2 LEU 80 1HD2 LEU 80 -8.908 -7.530 13.992 692 2HD2 LEU 80 2HD2 LEU 80 -9.779 -8.677 12.972 693 3HD2 LEU 80 3HD2 LEU 80 -10.173 -8.542 14.687 694 H TYR 81 H TYR 81 -12.889 -6.443 9.548 695 HA TYR 81 HA TYR 81 -15.397 -6.624 10.926 696 1HB TYR 81 2HB TYR 81 -14.553 -4.650 9.544 697 2HB TYR 81 1HB TYR 81 -15.004 -5.589 8.124 698 HD1 TYR 81 1HD TYR 81 -17.338 -5.975 7.578 699 HD2 TYR 81 2HD TYR 81 -16.249 -3.739 11.031 700 HE1 TYR 81 1HE TYR 81 -19.648 -5.159 7.771 701 HE2 TYR 81 2HE TYR 81 -18.557 -2.917 11.235 702 HH TYR 81 HH TYR 81 -20.829 -3.616 10.534 703 H GLU 82 H GLU 82 -13.935 -8.211 8.160 704 HA GLU 82 HA GLU 82 -16.372 -9.850 7.906 705 1HB GLU 82 2HB GLU 82 -14.406 -9.121 5.727 706 2HB GLU 82 1HB GLU 82 -15.804 -10.171 5.534 707 1HG GLU 82 2HG GLU 82 -17.299 -8.342 5.985 708 2HG GLU 82 1HG GLU 82 -15.942 -7.276 6.345 709 HA PRO 83 HA PRO 83 -12.707 -12.553 8.992 710 1HB PRO 83 2HB PRO 83 -13.624 -13.544 11.318 711 2HB PRO 83 1HB PRO 83 -12.783 -11.991 11.232 712 1HG PRO 83 2HG PRO 83 -15.721 -12.546 11.387 713 2HG PRO 83 1HG PRO 83 -14.767 -11.324 12.248 714 1HD PRO 83 2HD PRO 83 -16.252 -10.778 10.023 715 2HD PRO 83 1HD PRO 83 -14.795 -9.872 10.472 716 H ASP 84 H ASP 84 -16.182 -13.004 8.990 717 HA ASP 84 HA ASP 84 -15.867 -15.881 8.546 718 1HB ASP 84 2HB ASP 84 -18.409 -14.291 8.939 719 2HB ASP 84 1HB ASP 84 -18.261 -16.045 8.921 720 H TYR 85 H TYR 85 -15.532 -13.419 6.602 721 HA TYR 85 HA TYR 85 -15.824 -13.023 4.381 722 1HB TYR 85 2HB TYR 85 -14.974 -15.395 4.317 723 2HB TYR 85 1HB TYR 85 -16.649 -15.925 4.208 724 HD1 TYR 85 1HD TYR 85 -17.904 -15.662 2.165 725 HD2 TYR 85 2HD TYR 85 -13.915 -14.212 2.451 726 HE1 TYR 85 1HE TYR 85 -17.831 -15.398 -0.279 727 HE2 TYR 85 2HE TYR 85 -13.833 -13.942 0.008 728 HH TYR 85 HH TYR 85 -16.131 -15.294 -2.069 729 H GLU 86 H GLU 86 -17.443 -12.992 2.582 730 HA GLU 86 HA GLU 86 -20.139 -12.759 3.720 731 1HB GLU 86 2HB GLU 86 -20.604 -11.314 1.748 732 2HB GLU 86 1HB GLU 86 -19.323 -10.697 2.781 733 1HG GLU 86 2HG GLU 86 -18.112 -12.331 0.821 734 2HG GLU 86 1HG GLU 86 -19.258 -11.273 -0.001 735 H LEU 87 H LEU 87 -21.673 -14.151 3.149 736 HA LEU 87 HA LEU 87 -21.110 -16.155 1.142 737 1HB LEU 87 2HB LEU 87 -22.247 -16.507 3.430 738 2HB LEU 87 1HB LEU 87 -23.689 -15.880 2.655 739 HG LEU 87 HG LEU 87 -23.527 -17.704 0.970 740 1HD1 LEU 87 1HD1 LEU 87 -21.210 -18.511 2.701 741 2HD1 LEU 87 2HD1 LEU 87 -21.248 -18.275 0.954 742 3HD1 LEU 87 3HD1 LEU 87 -22.070 -19.659 1.674 743 1HD2 LEU 87 1HD2 LEU 87 -23.864 -19.556 2.877 744 2HD2 LEU 87 2HD2 LEU 87 -25.079 -18.338 2.488 745 3HD2 LEU 87 3HD2 LEU 87 -23.996 -18.097 3.859 746 H ILE 88 H ILE 88 -23.083 -13.300 1.469 747 HA ILE 88 HA ILE 88 -23.508 -13.056 -1.296 748 HB ILE 88 HB ILE 88 -25.045 -14.943 -0.984 749 1HG1 ILE 88 2HG1 ILE 88 -27.076 -13.863 -1.955 750 2HG1 ILE 88 1HG1 ILE 88 -26.386 -12.291 -1.562 751 1HG2 ILE 88 1HG2 ILE 88 -25.584 -14.009 1.442 752 2HG2 ILE 88 2HG2 ILE 88 -26.708 -15.044 0.562 753 3HG2 ILE 88 3HG2 ILE 88 -26.949 -13.297 0.582 754 1HD1 ILE 88 1HD1 ILE 88 -26.018 -12.778 -3.880 755 2HD1 ILE 88 2HD1 ILE 88 -25.265 -14.321 -3.476 756 3HD1 ILE 88 3HD1 ILE 88 -24.473 -12.811 -3.029 757 H ARG 89 H ARG 89 -24.657 -12.310 1.943 758 HA ARG 89 HA ARG 89 -25.772 -10.455 2.767 759 1HB ARG 89 2HB ARG 89 -24.248 -8.469 2.678 760 2HB ARG 89 1HB ARG 89 -23.489 -9.958 3.222 761 1HG ARG 89 2HG ARG 89 -21.981 -9.866 1.600 762 2HG ARG 89 1HG ARG 89 -23.226 -9.666 0.370 763 1HD ARG 89 2HD ARG 89 -23.322 -7.261 0.893 764 2HD ARG 89 1HD ARG 89 -22.020 -7.484 2.060 765 HE ARG 89 HE ARG 89 -20.974 -8.474 -0.229 766 1HH1 ARG 89 1HH1 ARG 89 -22.508 -5.445 0.577 767 2HH1 ARG 89 2HH1 ARG 89 -21.612 -4.537 -0.593 768 1HH2 ARG 89 1HH2 ARG 89 -19.798 -7.281 -1.771 769 2HH2 ARG 89 2HH2 ARG 89 -20.076 -5.579 -1.927 770 H ASN 90 H ASN 90 -27.670 -10.196 1.621 771 HA ASN 90 HA ASN 90 -27.584 -8.449 -0.734 772 1HB ASN 90 2HB ASN 90 -28.781 -10.671 -0.851 773 2HB ASN 90 1HB ASN 90 -29.949 -10.024 0.297 774 1HD2 ASN 90 1HD2 ASN 90 -31.744 -9.545 -0.726 775 2HD2 ASN 90 2HD2 ASN 90 -31.868 -8.738 -2.248 776 H GLY 91 H GLY 91 -27.230 -7.465 1.990 777 1HA GLY 91 2HA GLY 91 -29.219 -5.363 1.882 778 2HA GLY 91 1HA GLY 91 -29.313 -6.381 3.312 779 H LEU 92 H LEU 92 -26.327 -5.522 1.674 780 HA LEU 92 HA LEU 92 -25.557 -3.968 4.056 781 1HB LEU 92 2HB LEU 92 -24.369 -6.229 3.177 782 2HB LEU 92 1HB LEU 92 -23.446 -5.036 2.282 783 HG LEU 92 HG LEU 92 -22.271 -5.542 4.309 784 1HD1 LEU 92 1HD1 LEU 92 -23.657 -2.872 4.519 785 2HD1 LEU 92 2HD1 LEU 92 -22.189 -3.224 3.607 786 3HD1 LEU 92 3HD1 LEU 92 -22.179 -3.327 5.367 787 1HD2 LEU 92 1HD2 LEU 92 -23.876 -6.458 5.741 788 2HD2 LEU 92 2HD2 LEU 92 -24.924 -5.045 5.616 789 3HD2 LEU 92 3HD2 LEU 92 -23.413 -4.944 6.520 790 H LYS 93 H LYS 93 -25.430 -4.147 0.543 791 HA LYS 93 HA LYS 93 -24.781 -1.277 0.494 792 1HB LYS 93 2HB LYS 93 -23.236 -3.434 -0.580 793 2HB LYS 93 1HB LYS 93 -23.841 -2.459 -1.911 794 1HG LYS 93 2HG LYS 93 -22.972 -0.470 -0.442 795 2HG LYS 93 1HG LYS 93 -21.966 -1.727 0.281 796 1HD LYS 93 2HD LYS 93 -21.584 -2.275 -2.323 797 2HD LYS 93 1HD LYS 93 -21.876 -0.538 -2.422 798 1HE LYS 93 2HE LYS 93 -20.099 -0.115 -0.836 799 2HE LYS 93 1HE LYS 93 -19.854 -1.844 -0.605 800 1HZ LYS 93 1HZ LYS 93 -18.313 -1.622 -2.184 801 2HZ LYS 93 2HZ LYS 93 -18.902 -0.124 -2.703 802 3HZ LYS 93 3HZ LYS 93 -19.600 -1.552 -3.280 803 H GLN 94 H GLN 94 -26.927 -0.696 0.195 804 HA GLN 94 HA GLN 94 -28.182 -1.637 -2.298 805 1HB GLN 94 2HB GLN 94 -29.282 -1.868 0.101 806 2HB GLN 94 1HB GLN 94 -29.740 -0.197 -0.196 807 1HG GLN 94 2HG GLN 94 -30.497 -1.314 -2.524 808 2HG GLN 94 1HG GLN 94 -30.720 -2.679 -1.430 809 1HE2 GLN 94 1HE2 GLN 94 -32.657 -2.823 -0.583 810 2HE2 GLN 94 2HE2 GLN 94 -33.740 -1.514 -0.271 811 H LYS 95 H LYS 95 -26.584 0.018 -3.192 812 HA LYS 95 HA LYS 95 -26.214 2.004 -4.235 813 1HB LYS 95 2HB LYS 95 -28.601 1.492 -4.971 814 2HB LYS 95 1HB LYS 95 -29.120 2.631 -3.736 815 1HG LYS 95 2HG LYS 95 -27.386 4.202 -4.972 816 2HG LYS 95 1HG LYS 95 -27.754 3.122 -6.319 817 1HD LYS 95 2HD LYS 95 -29.260 4.976 -6.433 818 2HD LYS 95 1HD LYS 95 -30.179 3.566 -5.905 819 1HE LYS 95 2HE LYS 95 -29.374 4.603 -3.526 820 2HE LYS 95 1HE LYS 95 -29.565 6.066 -4.492 821 1HZ LYS 95 1HZ LYS 95 -31.675 5.823 -3.727 822 2HZ LYS 95 2HZ LYS 95 -31.581 4.138 -3.615 823 3HZ LYS 95 3HZ LYS 95 -31.809 4.874 -5.121 824 H GLU 96 H GLU 96 -25.950 1.808 -1.323 825 HA GLU 96 HA GLU 96 -25.320 4.470 -0.746 826 1HB GLU 96 2HB GLU 96 -26.997 5.066 0.894 827 2HB GLU 96 1HB GLU 96 -27.776 4.738 -0.645 828 1HG GLU 96 2HG GLU 96 -28.037 2.330 0.382 829 2HG GLU 96 1HG GLU 96 -27.877 3.211 1.900 830 H ALA 97 H ALA 97 -23.540 4.046 0.381 831 HA ALA 97 HA ALA 97 -23.711 2.693 2.911 832 1HB ALA 97 1HB ALA 97 -23.449 0.694 1.740 833 2HB ALA 97 2HB ALA 97 -21.809 1.096 2.248 834 3HB ALA 97 3HB ALA 97 -22.320 1.405 0.588 835 H LYS 98 H LYS 98 -22.354 3.647 4.284 836 HA LYS 98 HA LYS 98 -19.700 4.365 3.732 837 1HB LYS 98 2HB LYS 98 -19.912 6.833 3.768 838 2HB LYS 98 1HB LYS 98 -20.621 6.109 2.332 839 1HG LYS 98 2HG LYS 98 -22.397 6.612 4.654 840 2HG LYS 98 1HG LYS 98 -21.856 7.995 3.701 841 1HD LYS 98 2HD LYS 98 -22.588 6.244 1.748 842 2HD LYS 98 1HD LYS 98 -23.745 5.851 3.022 843 1HE LYS 98 2HE LYS 98 -23.821 8.558 3.078 844 2HE LYS 98 1HE LYS 98 -23.491 8.274 1.370 845 1HZ LYS 98 1HZ LYS 98 -25.424 6.817 1.285 846 2HZ LYS 98 2HZ LYS 98 -25.860 8.370 1.794 847 3HZ LYS 98 3HZ LYS 98 -25.744 7.114 2.920 Start of MODEL 9 1 1H MET 1 H MET 1 17.469 -3.334 3.778 2 HA MET 1 HA MET 1 17.396 -2.473 0.977 3 1HB MET 1 2HB MET 1 15.446 -4.142 2.413 4 2HB MET 1 1HB MET 1 14.707 -2.736 1.662 5 1HG MET 1 2HG MET 1 14.545 -4.268 -0.021 6 2HG MET 1 1HG MET 1 16.079 -3.499 -0.425 7 1HE MET 1 1HE MET 1 15.354 -7.145 1.981 8 2HE MET 1 2HE MET 1 14.874 -7.551 0.333 9 3HE MET 1 3HE MET 1 14.172 -6.147 1.136 10 H ASP 2 H ASP 2 16.229 -0.300 0.679 11 HA ASP 2 HA ASP 2 15.727 1.034 3.275 12 1HB ASP 2 2HB ASP 2 17.275 2.401 1.081 13 2HB ASP 2 1HB ASP 2 17.020 2.952 2.729 14 H LEU 3 H LEU 3 14.178 2.761 3.170 15 HA LEU 3 HA LEU 3 12.820 2.736 0.574 16 1HB LEU 3 2HB LEU 3 11.821 1.958 3.002 17 2HB LEU 3 1HB LEU 3 11.189 3.574 2.845 18 HG LEU 3 HG LEU 3 9.938 1.378 1.936 19 1HD1 LEU 3 1HD1 LEU 3 9.362 3.560 0.165 20 2HD1 LEU 3 2HD1 LEU 3 9.595 4.125 1.817 21 3HD1 LEU 3 3HD1 LEU 3 8.393 2.884 1.471 22 1HD2 LEU 3 1HD2 LEU 3 11.158 2.495 -0.564 23 2HD2 LEU 3 2HD2 LEU 3 10.113 1.094 -0.390 24 3HD2 LEU 3 3HD2 LEU 3 11.764 1.038 0.220 25 H ILE 4 H ILE 4 12.938 4.547 -0.544 26 HA ILE 4 HA ILE 4 13.025 7.106 0.959 27 HB ILE 4 HB ILE 4 13.406 6.892 -1.998 28 1HG1 ILE 4 2HG1 ILE 4 15.011 5.316 -1.127 29 2HG1 ILE 4 1HG1 ILE 4 15.875 6.775 -1.603 30 1HG2 ILE 4 1HG2 ILE 4 14.422 8.989 -1.843 31 2HG2 ILE 4 2HG2 ILE 4 14.749 8.807 -0.121 32 3HG2 ILE 4 3HG2 ILE 4 13.099 9.074 -0.679 33 1HD1 ILE 4 1HD1 ILE 4 14.986 6.413 1.225 34 2HD1 ILE 4 2HD1 ILE 4 16.315 7.379 0.581 35 3HD1 ILE 4 3HD1 ILE 4 16.448 5.620 0.637 36 H ILE 5 H ILE 5 11.034 7.816 1.246 37 HA ILE 5 HA ILE 5 9.103 7.277 -0.862 38 HB ILE 5 HB ILE 5 7.459 7.761 1.103 39 1HG1 ILE 5 2HG1 ILE 5 8.266 6.877 3.215 40 2HG1 ILE 5 1HG1 ILE 5 9.852 6.573 2.515 41 1HG2 ILE 5 1HG2 ILE 5 8.892 5.399 0.113 42 2HG2 ILE 5 2HG2 ILE 5 7.176 5.797 0.043 43 3HG2 ILE 5 3HG2 ILE 5 7.878 5.182 1.540 44 1HD1 ILE 5 1HD1 ILE 5 8.592 9.188 3.248 45 2HD1 ILE 5 2HD1 ILE 5 9.966 9.096 2.148 46 3HD1 ILE 5 3HD1 ILE 5 10.117 8.496 3.798 47 H LYS 6 H LYS 6 7.602 8.594 -1.591 48 HA LYS 6 HA LYS 6 7.503 11.372 -0.673 49 1HB LYS 6 2HB LYS 6 8.707 10.840 -3.046 50 2HB LYS 6 1HB LYS 6 7.031 10.940 -3.573 51 1HG LYS 6 2HG LYS 6 7.059 13.153 -3.478 52 2HG LYS 6 1HG LYS 6 7.674 13.133 -1.823 53 1HD LYS 6 2HD LYS 6 9.957 12.760 -2.744 54 2HD LYS 6 1HD LYS 6 9.289 12.956 -4.366 55 1HE LYS 6 2HE LYS 6 10.197 15.056 -3.761 56 2HE LYS 6 1HE LYS 6 8.447 15.212 -3.619 57 1HZ LYS 6 1HZ LYS 6 9.147 16.150 -1.670 58 2HZ LYS 6 2HZ LYS 6 10.481 15.123 -1.504 59 3HZ LYS 6 3HZ LYS 6 8.927 14.549 -1.162 60 H GLU 7 H GLU 7 6.018 9.638 0.340 61 HA GLU 7 HA GLU 7 3.759 8.593 -0.815 62 1HB GLU 7 2HB GLU 7 3.842 9.385 2.039 63 2HB GLU 7 1HB GLU 7 3.131 7.955 1.305 64 1HG GLU 7 2HG GLU 7 5.012 6.897 1.946 65 2HG GLU 7 1HG GLU 7 5.777 7.710 0.582 66 H LYS 8 H LYS 8 1.713 9.118 -1.275 67 HA LYS 8 HA LYS 8 0.666 11.636 -0.270 68 1HB LYS 8 2HB LYS 8 1.220 10.955 -3.075 69 2HB LYS 8 1HB LYS 8 -0.430 11.492 -2.792 70 1HG LYS 8 2HG LYS 8 0.262 13.595 -2.037 71 2HG LYS 8 1HG LYS 8 1.926 13.056 -1.796 72 1HD LYS 8 2HD LYS 8 2.271 14.071 -3.779 73 2HD LYS 8 1HD LYS 8 1.621 12.569 -4.439 74 1HE LYS 8 2HE LYS 8 0.501 14.404 -5.495 75 2HE LYS 8 1HE LYS 8 -0.638 13.605 -4.413 76 1HZ LYS 8 1HZ LYS 8 0.515 16.270 -4.253 77 2HZ LYS 8 2HZ LYS 8 0.343 15.448 -2.783 78 3HZ LYS 8 3HZ LYS 8 -1.008 15.716 -3.765 79 H ARG 9 H ARG 9 -1.438 11.254 0.535 80 HA ARG 9 HA ARG 9 -2.691 8.753 -0.408 81 1HB ARG 9 2HB ARG 9 -3.520 8.457 1.963 82 2HB ARG 9 1HB ARG 9 -1.803 8.187 1.692 83 1HG ARG 9 2HG ARG 9 -2.124 10.915 2.352 84 2HG ARG 9 1HG ARG 9 -3.076 9.977 3.504 85 1HD ARG 9 2HD ARG 9 -0.904 8.490 3.574 86 2HD ARG 9 1HD ARG 9 -0.137 9.973 3.012 87 HE ARG 9 HE ARG 9 -1.221 9.458 5.629 88 1HH1 ARG 9 1HH1 ARG 9 -0.303 11.920 3.332 89 2HH1 ARG 9 2HH1 ARG 9 -0.078 13.140 4.541 90 1HH2 ARG 9 1HH2 ARG 9 -0.927 11.060 7.219 91 2HH2 ARG 9 2HH2 ARG 9 -0.432 12.652 6.746 92 H ASP 10 H ASP 10 -4.762 8.691 -0.809 93 HA ASP 10 HA ASP 10 -6.450 10.961 -0.009 94 1HB ASP 10 2HB ASP 10 -5.693 10.611 -2.583 95 2HB ASP 10 1HB ASP 10 -7.114 9.571 -2.549 96 H ASN 11 H ASN 11 -7.957 10.192 1.370 97 HA ASN 11 HA ASN 11 -8.777 7.411 0.913 98 1HB ASN 11 2HB ASN 11 -9.508 7.549 3.362 99 2HB ASN 11 1HB ASN 11 -7.779 7.515 3.033 100 1HD2 ASN 11 1HD2 ASN 11 -7.511 8.431 5.132 101 2HD2 ASN 11 2HD2 ASN 11 -7.723 10.128 5.374 102 HA PRO 12 HA PRO 12 -12.877 9.220 0.454 103 1HB PRO 12 2HB PRO 12 -13.587 7.792 -1.663 104 2HB PRO 12 1HB PRO 12 -12.289 8.979 -1.835 105 1HG PRO 12 2HG PRO 12 -12.126 6.021 -1.725 106 2HG PRO 12 1HG PRO 12 -11.044 7.179 -2.516 107 1HD PRO 12 2HD PRO 12 -10.775 5.970 0.094 108 2HD PRO 12 1HD PRO 12 -9.648 7.059 -0.730 109 H ILE 13 H ILE 13 -14.181 6.488 -0.787 110 HA ILE 13 HA ILE 13 -15.293 5.648 1.702 111 HB ILE 13 HB ILE 13 -16.700 4.259 0.524 112 1HG1 ILE 13 2HG1 ILE 13 -14.744 2.952 -0.492 113 2HG1 ILE 13 1HG1 ILE 13 -16.219 3.030 -1.436 114 1HG2 ILE 13 1HG2 ILE 13 -16.865 6.628 -0.245 115 2HG2 ILE 13 2HG2 ILE 13 -17.506 5.438 -1.378 116 3HG2 ILE 13 3HG2 ILE 13 -15.928 6.172 -1.666 117 1HD1 ILE 13 1HD1 ILE 13 -15.077 3.819 -3.149 118 2HD1 ILE 13 2HD1 ILE 13 -13.598 3.763 -2.191 119 3HD1 ILE 13 3HD1 ILE 13 -14.591 5.220 -2.196 120 H LEU 14 H LEU 14 -12.802 4.440 -0.495 121 HA LEU 14 HA LEU 14 -12.357 2.188 1.314 122 1HB LEU 14 2HB LEU 14 -11.571 0.932 -0.434 123 2HB LEU 14 1HB LEU 14 -12.820 1.898 -1.186 124 HG LEU 14 HG LEU 14 -11.140 1.963 -2.757 125 1HD1 LEU 14 1HD1 LEU 14 -10.867 4.369 -0.993 126 2HD1 LEU 14 2HD1 LEU 14 -11.709 4.207 -2.530 127 3HD1 LEU 14 3HD1 LEU 14 -9.948 4.209 -2.486 128 1HD2 LEU 14 1HD2 LEU 14 -9.527 0.985 -0.874 129 2HD2 LEU 14 2HD2 LEU 14 -8.898 2.630 -0.956 130 3HD2 LEU 14 3HD2 LEU 14 -8.935 1.629 -2.405 131 H LYS 15 H LYS 15 -11.150 5.071 1.492 132 HA LYS 15 HA LYS 15 -9.130 5.959 2.100 133 1HB LYS 15 2HB LYS 15 -8.012 4.622 3.867 134 2HB LYS 15 1HB LYS 15 -9.750 4.779 4.059 135 1HG LYS 15 2HG LYS 15 -8.620 2.357 2.738 136 2HG LYS 15 1HG LYS 15 -8.619 2.502 4.492 137 1HD LYS 15 2HD LYS 15 -11.198 3.238 3.398 138 2HD LYS 15 1HD LYS 15 -10.732 1.616 2.881 139 1HE LYS 15 2HE LYS 15 -11.461 0.898 4.860 140 2HE LYS 15 1HE LYS 15 -10.057 1.689 5.571 141 1HZ LYS 15 1HZ LYS 15 -11.665 3.756 5.438 142 2HZ LYS 15 2HZ LYS 15 -11.694 2.691 6.752 143 3HZ LYS 15 3HZ LYS 15 -12.848 2.547 5.524 144 H ARG 16 H ARG 16 -8.592 5.453 -0.470 145 HA ARG 16 HA ARG 16 -6.308 3.619 -0.609 146 1HB ARG 16 2HB ARG 16 -6.467 3.789 -2.985 147 2HB ARG 16 1HB ARG 16 -8.095 3.589 -2.367 148 1HG ARG 16 2HG ARG 16 -8.771 5.592 -3.117 149 2HG ARG 16 1HG ARG 16 -7.247 6.377 -2.701 150 1HD ARG 16 2HD ARG 16 -6.738 6.376 -4.862 151 2HD ARG 16 1HD ARG 16 -6.624 4.619 -4.777 152 HE ARG 16 HE ARG 16 -8.630 4.462 -5.879 153 1HH1 ARG 16 1HH1 ARG 16 -8.172 7.750 -4.801 154 2HH1 ARG 16 2HH1 ARG 16 -9.523 8.364 -5.693 155 1HH2 ARG 16 1HH2 ARG 16 -10.404 5.268 -7.056 156 2HH2 ARG 16 2HH2 ARG 16 -10.790 6.954 -6.975 157 H LYS 17 H LYS 17 -4.209 4.246 -1.314 158 HA LYS 17 HA LYS 17 -3.830 7.151 -1.487 159 1HB LYS 17 2HB LYS 17 -1.998 7.174 0.047 160 2HB LYS 17 1HB LYS 17 -3.396 6.457 0.832 161 1HG LYS 17 2HG LYS 17 -1.621 5.128 1.502 162 2HG LYS 17 1HG LYS 17 -2.362 4.210 0.189 163 1HD LYS 17 2HD LYS 17 -0.369 6.052 -0.795 164 2HD LYS 17 1HD LYS 17 0.309 4.955 0.411 165 1HE LYS 17 2HE LYS 17 0.270 3.261 -1.034 166 2HE LYS 17 1HE LYS 17 -1.425 3.555 -1.392 167 1HZ LYS 17 1HZ LYS 17 0.184 5.480 -2.601 168 2HZ LYS 17 2HZ LYS 17 -0.864 4.377 -3.325 169 3HZ LYS 17 3HZ LYS 17 0.737 3.951 -3.025 170 H GLU 18 H GLU 18 -1.768 7.867 -2.397 171 HA GLU 18 HA GLU 18 -0.520 5.905 -4.208 172 1HB GLU 18 2HB GLU 18 -0.600 8.530 -5.390 173 2HB GLU 18 1HB GLU 18 -1.114 6.988 -6.056 174 1HG GLU 18 2HG GLU 18 -3.287 7.242 -4.955 175 2HG GLU 18 1HG GLU 18 -2.770 8.799 -4.307 176 H ILE 19 H ILE 19 1.509 5.830 -3.526 177 HA ILE 19 HA ILE 19 2.859 8.344 -2.872 178 HB ILE 19 HB ILE 19 3.873 7.497 -0.972 179 1HG1 ILE 19 2HG1 ILE 19 4.616 5.378 -1.827 180 2HG1 ILE 19 1HG1 ILE 19 3.815 5.179 -0.275 181 1HG2 ILE 19 1HG2 ILE 19 1.771 6.094 0.084 182 2HG2 ILE 19 2HG2 ILE 19 1.016 7.038 -1.195 183 3HG2 ILE 19 3HG2 ILE 19 1.930 7.847 0.069 184 1HD1 ILE 19 1HD1 ILE 19 3.020 3.442 -1.577 185 2HD1 ILE 19 2HD1 ILE 19 2.814 4.472 -2.989 186 3HD1 ILE 19 3HD1 ILE 19 1.743 4.643 -1.603 187 H LYS 20 H LYS 20 5.043 8.452 -3.261 188 HA LYS 20 HA LYS 20 5.935 6.517 -5.296 189 1HB LYS 20 2HB LYS 20 7.051 8.242 -6.236 190 2HB LYS 20 1HB LYS 20 6.109 9.273 -5.164 191 1HG LYS 20 2HG LYS 20 8.253 9.969 -4.739 192 2HG LYS 20 1HG LYS 20 8.003 8.791 -3.456 193 1HD LYS 20 2HD LYS 20 9.500 7.337 -4.320 194 2HD LYS 20 1HD LYS 20 9.059 7.708 -5.987 195 1HE LYS 20 2HE LYS 20 10.711 9.207 -6.200 196 2HE LYS 20 1HE LYS 20 10.369 9.932 -4.632 197 1HZ LYS 20 1HZ LYS 20 11.466 7.636 -3.874 198 2HZ LYS 20 2HZ LYS 20 12.362 9.047 -4.134 199 3HZ LYS 20 3HZ LYS 20 12.280 7.866 -5.340 200 H TYR 21 H TYR 21 7.635 5.133 -4.912 201 HA TYR 21 HA TYR 21 9.125 5.514 -2.414 202 1HB TYR 21 2HB TYR 21 8.521 3.472 -1.527 203 2HB TYR 21 1HB TYR 21 7.040 3.946 -2.335 204 HD1 TYR 21 1HD TYR 21 7.606 3.275 -5.140 205 HD2 TYR 21 2HD TYR 21 8.554 1.161 -1.580 206 HE1 TYR 21 1HE TYR 21 7.628 1.170 -6.407 207 HE2 TYR 21 2HE TYR 21 8.577 -0.955 -2.833 208 HH TYR 21 HH TYR 21 8.993 -1.594 -5.356 209 H VAL 22 H VAL 22 11.079 4.482 -2.192 210 HA VAL 22 HA VAL 22 12.185 3.048 -4.507 211 HB VAL 22 HB VAL 22 13.330 5.576 -3.433 212 1HG1 VAL 22 1HG1 VAL 22 15.670 4.841 -3.936 213 2HG1 VAL 22 2HG1 VAL 22 15.085 3.183 -4.053 214 3HG1 VAL 22 3HG1 VAL 22 14.988 4.043 -2.518 215 1HG2 VAL 22 1HG2 VAL 22 13.824 4.091 -6.010 216 2HG2 VAL 22 2HG2 VAL 22 14.219 5.773 -5.660 217 3HG2 VAL 22 3HG2 VAL 22 12.534 5.269 -5.767 218 H LEU 23 H LEU 23 13.284 1.234 -3.854 219 HA LEU 23 HA LEU 23 13.769 0.957 -1.024 220 1HB LEU 23 2HB LEU 23 12.178 -0.704 -1.846 221 2HB LEU 23 1HB LEU 23 13.220 -1.098 -3.197 222 HG LEU 23 HG LEU 23 14.818 -1.683 -1.019 223 1HD1 LEU 23 1HD1 LEU 23 13.449 -1.791 0.759 224 2HD1 LEU 23 2HD1 LEU 23 12.951 -3.331 0.065 225 3HD1 LEU 23 3HD1 LEU 23 11.995 -1.882 -0.232 226 1HD2 LEU 23 1HD2 LEU 23 14.928 -3.673 -2.045 227 2HD2 LEU 23 2HD2 LEU 23 13.821 -2.983 -3.232 228 3HD2 LEU 23 3HD2 LEU 23 13.191 -3.945 -1.894 229 H LYS 24 H LYS 24 15.899 1.030 -0.530 230 HA LYS 24 HA LYS 24 17.766 0.708 -2.765 231 1HB LYS 24 2HB LYS 24 18.501 1.658 -0.006 232 2HB LYS 24 1HB LYS 24 19.337 1.963 -1.516 233 1HG LYS 24 2HG LYS 24 17.563 3.442 -2.241 234 2HG LYS 24 1HG LYS 24 16.646 3.086 -0.775 235 1HD LYS 24 2HD LYS 24 17.986 4.371 0.543 236 2HD LYS 24 1HD LYS 24 19.422 4.065 -0.435 237 1HE LYS 24 2HE LYS 24 17.346 5.556 -1.843 238 2HE LYS 24 1HE LYS 24 17.961 6.386 -0.414 239 1HZ LYS 24 1HZ LYS 24 19.556 7.070 -1.803 240 2HZ LYS 24 2HZ LYS 24 19.271 5.840 -2.930 241 3HZ LYS 24 3HZ LYS 24 20.226 5.535 -1.568 242 H PHE 25 H PHE 25 18.740 -1.107 -2.979 243 HA PHE 25 HA PHE 25 18.926 -2.844 -0.628 244 1HB PHE 25 2HB PHE 25 19.200 -4.494 -2.756 245 2HB PHE 25 1HB PHE 25 17.683 -4.163 -1.968 246 HD1 PHE 25 1HD PHE 25 16.155 -2.441 -2.974 247 HD2 PHE 25 2HD PHE 25 19.617 -3.878 -4.990 248 HE1 PHE 25 1HE PHE 25 15.253 -1.620 -5.107 249 HE2 PHE 25 2HE PHE 25 18.722 -3.054 -7.123 250 HZ PHE 25 HZ PHE 25 16.539 -1.923 -7.185 251 H ASP 26 H ASP 26 20.816 -3.565 0.029 252 HA ASP 26 HA ASP 26 23.152 -3.207 -1.742 253 1HB ASP 26 2HB ASP 26 24.433 -2.428 0.317 254 2HB ASP 26 1HB ASP 26 23.286 -1.286 -0.379 255 H SER 27 H SER 27 25.178 -4.203 -0.704 256 HA SER 27 HA SER 27 26.245 -6.172 -0.265 257 1HB SER 27 2HB SER 27 24.290 -6.446 2.019 258 2HB SER 27 1HB SER 27 25.970 -6.981 1.954 259 HG SER 27 HG SER 27 26.405 -5.122 2.815 260 H SER 28 H SER 28 25.326 -8.573 0.916 261 HA SER 28 HA SER 28 24.199 -9.868 -1.330 262 1HB SER 28 2HB SER 28 24.099 -11.856 0.091 263 2HB SER 28 1HB SER 28 25.632 -11.020 0.344 264 HG SER 28 HG SER 28 24.705 -10.089 2.227 265 H ARG 29 H ARG 29 22.400 -8.309 -1.551 266 HA ARG 29 HA ARG 29 20.266 -8.289 0.316 267 1HB ARG 29 2HB ARG 29 20.639 -6.436 -1.202 268 2HB ARG 29 1HB ARG 29 20.333 -7.483 -2.584 269 1HG ARG 29 2HG ARG 29 18.168 -7.478 -0.633 270 2HG ARG 29 1HG ARG 29 18.483 -5.893 -1.341 271 1HD ARG 29 2HD ARG 29 17.975 -8.448 -2.862 272 2HD ARG 29 1HD ARG 29 16.818 -7.139 -2.629 273 HE ARG 29 HE ARG 29 19.277 -6.308 -3.867 274 1HH1 ARG 29 1HH1 ARG 29 16.090 -7.621 -4.422 275 2HH1 ARG 29 2HH1 ARG 29 16.017 -7.079 -6.064 276 1HH2 ARG 29 1HH2 ARG 29 19.181 -5.595 -6.028 277 2HH2 ARG 29 2HH2 ARG 29 17.772 -5.928 -6.977 278 H THR 30 H THR 30 18.769 -9.694 0.649 279 HA THR 30 HA THR 30 18.044 -11.563 -1.498 280 HB THR 30 HB THR 30 19.309 -12.433 0.551 281 HG1 THR 30 1HG THR 30 18.365 -14.325 0.217 282 1HG2 THR 30 1HG2 THR 30 18.133 -12.951 2.524 283 2HG2 THR 30 2HG2 THR 30 16.601 -12.398 1.845 284 3HG2 THR 30 3HG2 THR 30 17.868 -11.232 2.224 285 HA PRO 31 HA PRO 31 14.263 -9.077 -1.358 286 1HB PRO 31 2HB PRO 31 13.380 -11.665 -2.590 287 2HB PRO 31 1HB PRO 31 12.967 -10.007 -3.050 288 1HG PRO 31 2HG PRO 31 14.817 -11.401 -4.394 289 2HG PRO 31 1HG PRO 31 14.983 -9.657 -4.122 290 1HD PRO 31 2HD PRO 31 16.486 -11.896 -2.925 291 2HD PRO 31 1HD PRO 31 16.943 -10.190 -3.091 292 H SER 32 H SER 32 12.981 -8.908 0.369 293 HA SER 32 HA SER 32 12.190 -11.383 1.774 294 1HB SER 32 2HB SER 32 13.743 -9.320 2.768 295 2HB SER 32 1HB SER 32 12.130 -8.892 3.340 296 HG SER 32 HG SER 32 13.700 -10.568 4.475 297 H ARG 33 H ARG 33 10.050 -11.397 2.700 298 HA ARG 33 HA ARG 33 8.141 -9.963 1.115 299 1HB ARG 33 2HB ARG 33 6.449 -11.118 2.472 300 2HB ARG 33 1HB ARG 33 7.664 -12.233 1.858 301 1HG ARG 33 2HG ARG 33 8.805 -11.981 4.119 302 2HG ARG 33 1HG ARG 33 7.309 -11.217 4.657 303 1HD ARG 33 2HD ARG 33 6.081 -13.251 3.908 304 2HD ARG 33 1HD ARG 33 7.634 -14.005 3.555 305 HE ARG 33 HE ARG 33 7.558 -13.056 6.225 306 1HH1 ARG 33 1HH1 ARG 33 6.381 -15.630 4.182 307 2HH1 ARG 33 2HH1 ARG 33 6.248 -16.768 5.481 308 1HH2 ARG 33 1HH2 ARG 33 7.383 -14.552 7.933 309 2HH2 ARG 33 2HH2 ARG 33 6.817 -16.156 7.610 310 H GLU 34 H GLU 34 9.024 -9.943 4.538 311 HA GLU 34 HA GLU 34 7.335 -7.732 5.206 312 1HB GLU 34 2HB GLU 34 8.274 -9.696 6.677 313 2HB GLU 34 1HB GLU 34 9.619 -8.590 6.926 314 1HG GLU 34 2HG GLU 34 8.366 -7.917 8.664 315 2HG GLU 34 1HG GLU 34 7.590 -6.923 7.431 316 H GLU 35 H GLU 35 10.848 -8.109 4.772 317 HA GLU 35 HA GLU 35 11.594 -5.588 5.619 318 1HB GLU 35 2HB GLU 35 12.935 -7.147 3.415 319 2HB GLU 35 1HB GLU 35 13.670 -5.926 4.444 320 1HG GLU 35 2HG GLU 35 13.184 -7.412 6.399 321 2HG GLU 35 1HG GLU 35 12.704 -8.656 5.248 322 H ILE 36 H ILE 36 10.969 -6.520 2.185 323 HA ILE 36 HA ILE 36 11.284 -3.785 1.367 324 HB ILE 36 HB ILE 36 11.823 -5.531 -0.225 325 1HG1 ILE 36 2HG1 ILE 36 9.406 -3.911 -1.057 326 2HG1 ILE 36 1HG1 ILE 36 11.086 -3.396 -1.141 327 1HG2 ILE 36 1HG2 ILE 36 9.748 -6.924 0.717 328 2HG2 ILE 36 2HG2 ILE 36 10.487 -7.237 -0.849 329 3HG2 ILE 36 3HG2 ILE 36 9.016 -6.271 -0.745 330 1HD1 ILE 36 1HD1 ILE 36 11.348 -4.340 -3.127 331 2HD1 ILE 36 2HD1 ILE 36 9.603 -4.608 -3.142 332 3HD1 ILE 36 3HD1 ILE 36 10.685 -5.874 -2.559 333 H LYS 37 H LYS 37 8.511 -5.947 1.476 334 HA LYS 37 HA LYS 37 6.517 -4.140 0.779 335 1HB LYS 37 2HB LYS 37 6.336 -6.666 0.983 336 2HB LYS 37 1HB LYS 37 6.082 -6.399 2.702 337 1HG LYS 37 2HG LYS 37 4.255 -4.703 1.665 338 2HG LYS 37 1HG LYS 37 4.271 -5.965 0.433 339 1HD LYS 37 2HD LYS 37 2.595 -6.504 2.069 340 2HD LYS 37 1HD LYS 37 3.929 -7.647 2.228 341 1HE LYS 37 2HE LYS 37 4.735 -5.767 3.968 342 2HE LYS 37 1HE LYS 37 2.992 -5.544 4.082 343 1HZ LYS 37 1HZ LYS 37 4.123 -8.254 4.259 344 2HZ LYS 37 2HZ LYS 37 2.687 -7.649 4.916 345 3HZ LYS 37 3HZ LYS 37 4.172 -7.240 5.614 346 H GLU 38 H GLU 38 7.399 -5.037 4.109 347 HA GLU 38 HA GLU 38 5.576 -3.122 5.121 348 1HB GLU 38 2HB GLU 38 6.070 -3.977 7.107 349 2HB GLU 38 1HB GLU 38 6.933 -5.195 6.191 350 1HG GLU 38 2HG GLU 38 9.027 -4.066 6.546 351 2HG GLU 38 1HG GLU 38 8.211 -2.705 7.307 352 H LEU 39 H LEU 39 9.115 -3.057 4.651 353 HA LEU 39 HA LEU 39 9.537 -0.482 5.620 354 1HB LEU 39 2HB LEU 39 11.495 -1.587 5.193 355 2HB LEU 39 1HB LEU 39 10.900 -2.267 3.694 356 HG LEU 39 HG LEU 39 11.301 0.637 3.658 357 1HD1 LEU 39 1HD1 LEU 39 13.306 0.494 4.688 358 2HD1 LEU 39 2HD1 LEU 39 13.829 -0.088 3.108 359 3HD1 LEU 39 3HD1 LEU 39 13.456 -1.239 4.390 360 1HD2 LEU 39 1HD2 LEU 39 11.632 -1.721 1.871 361 2HD2 LEU 39 2HD2 LEU 39 12.504 -0.233 1.500 362 3HD2 LEU 39 3HD2 LEU 39 10.748 -0.224 1.608 363 H ILE 40 H ILE 40 8.326 -1.564 2.475 364 HA ILE 40 HA ILE 40 8.339 1.069 1.353 365 HB ILE 40 HB ILE 40 7.299 0.202 -0.581 366 1HG1 ILE 40 2HG1 ILE 40 6.883 -2.285 1.045 367 2HG1 ILE 40 1HG1 ILE 40 5.645 -1.275 0.308 368 1HG2 ILE 40 1HG2 ILE 40 8.953 -2.047 -0.539 369 2HG2 ILE 40 2HG2 ILE 40 9.693 -0.897 0.562 370 3HG2 ILE 40 3HG2 ILE 40 9.364 -0.433 -1.100 371 1HD1 ILE 40 1HD1 ILE 40 5.776 -3.044 -1.155 372 2HD1 ILE 40 2HD1 ILE 40 7.522 -3.210 -0.955 373 3HD1 ILE 40 3HD1 ILE 40 6.867 -1.871 -1.898 374 H ALA 41 H ALA 41 5.647 -1.051 2.395 375 HA ALA 41 HA ALA 41 3.632 0.869 1.962 376 1HB ALA 41 1HB ALA 41 3.818 -1.728 3.132 377 2HB ALA 41 2HB ALA 41 2.416 -0.922 2.429 378 3HB ALA 41 3HB ALA 41 2.809 -0.688 4.129 379 H LYS 42 H LYS 42 5.291 -0.055 4.902 380 HA LYS 42 HA LYS 42 3.979 1.615 6.649 381 1HB LYS 42 2HB LYS 42 6.851 0.697 6.809 382 2HB LYS 42 1HB LYS 42 5.805 1.143 8.159 383 1HG LYS 42 2HG LYS 42 4.244 -0.714 7.341 384 2HG LYS 42 1HG LYS 42 5.600 -1.286 6.353 385 1HD LYS 42 2HD LYS 42 6.867 -1.816 8.259 386 2HD LYS 42 1HD LYS 42 5.884 -0.803 9.317 387 1HE LYS 42 2HE LYS 42 4.287 -2.846 8.021 388 2HE LYS 42 1HE LYS 42 5.630 -3.554 8.918 389 1HZ LYS 42 1HZ LYS 42 3.299 -2.893 10.019 390 2HZ LYS 42 2HZ LYS 42 4.162 -1.465 10.300 391 3HZ LYS 42 3HZ LYS 42 4.755 -2.938 10.880 392 H HIS 43 H HIS 43 6.987 2.200 4.865 393 HA HIS 43 HA HIS 43 7.292 4.911 5.657 394 1HB HIS 43 2HB HIS 43 8.231 3.261 3.344 395 2HB HIS 43 1HB HIS 43 8.452 4.994 3.325 396 HD1 HIS 43 1HD HIS 43 9.286 2.087 5.636 397 HD2 HIS 43 2HD HIS 43 10.777 5.788 4.475 398 HE1 HIS 43 1HE HIS 43 11.499 2.317 6.808 399 HE2 HIS 43 2HE HIS 43 12.335 4.608 6.171 400 H GLU 44 H GLU 44 5.784 3.260 2.968 401 HA GLU 44 HA GLU 44 4.944 5.342 1.414 402 1HB GLU 44 2HB GLU 44 3.868 2.632 1.871 403 2HB GLU 44 1HB GLU 44 3.042 3.760 0.807 404 1HG GLU 44 2HG GLU 44 4.749 3.762 -0.745 405 2HG GLU 44 1HG GLU 44 5.963 3.317 0.429 406 H GLY 45 H GLY 45 4.047 4.720 4.551 407 1HA GLY 45 2HA GLY 45 2.822 6.365 5.759 408 2HA GLY 45 1HA GLY 45 1.932 6.727 4.279 409 H VAL 46 H VAL 46 2.608 3.440 5.137 410 HA VAL 46 HA VAL 46 -0.049 3.066 6.259 411 HB VAL 46 HB VAL 46 -0.312 1.268 4.303 412 1HG1 VAL 46 1HG1 VAL 46 -1.507 3.637 5.100 413 2HG1 VAL 46 2HG1 VAL 46 -2.136 2.506 3.907 414 3HG1 VAL 46 3HG1 VAL 46 -1.177 3.887 3.386 415 1HG2 VAL 46 1HG2 VAL 46 1.373 1.624 2.802 416 2HG2 VAL 46 2HG2 VAL 46 1.642 3.282 3.333 417 3HG2 VAL 46 3HG2 VAL 46 0.307 2.915 2.250 418 H ASP 47 H ASP 47 -0.604 0.724 6.620 419 HA ASP 47 HA ASP 47 1.608 -0.564 7.944 420 1HB ASP 47 2HB ASP 47 -1.139 -1.730 7.592 421 2HB ASP 47 1HB ASP 47 0.006 -2.007 8.901 422 H LYS 48 H LYS 48 1.374 -3.147 7.772 423 HA LYS 48 HA LYS 48 2.549 -3.869 5.305 424 1HB LYS 48 2HB LYS 48 2.422 -6.202 6.267 425 2HB LYS 48 1HB LYS 48 3.286 -5.016 7.237 426 1HG LYS 48 2HG LYS 48 1.835 -5.162 8.936 427 2HG LYS 48 1HG LYS 48 0.434 -5.246 7.865 428 1HD LYS 48 2HD LYS 48 0.501 -7.524 7.731 429 2HD LYS 48 1HD LYS 48 2.250 -7.593 7.949 430 1HE LYS 48 2HE LYS 48 1.340 -8.502 9.918 431 2HE LYS 48 1HE LYS 48 1.836 -6.865 10.342 432 1HZ LYS 48 1HZ LYS 48 -0.369 -7.448 11.209 433 2HZ LYS 48 2HZ LYS 48 -0.934 -7.663 9.629 434 3HZ LYS 48 3HZ LYS 48 -0.433 -6.133 10.145 435 H GLU 49 H GLU 49 -0.717 -4.029 6.489 436 HA GLU 49 HA GLU 49 -1.620 -5.993 4.607 437 1HB GLU 49 2HB GLU 49 -2.749 -4.393 6.740 438 2HB GLU 49 1HB GLU 49 -3.825 -4.447 5.354 439 1HG GLU 49 2HG GLU 49 -2.750 -6.766 6.932 440 2HG GLU 49 1HG GLU 49 -4.419 -6.212 6.830 441 H LEU 50 H LEU 50 -1.694 -2.502 4.768 442 HA LEU 50 HA LEU 50 -3.065 -2.014 2.381 443 1HB LEU 50 2HB LEU 50 -1.330 0.070 3.467 444 2HB LEU 50 1HB LEU 50 -3.024 0.143 3.077 445 HG LEU 50 HG LEU 50 -1.724 -0.734 5.642 446 1HD1 LEU 50 1HD1 LEU 50 -2.118 1.506 5.814 447 2HD1 LEU 50 2HD1 LEU 50 -3.644 0.868 6.424 448 3HD1 LEU 50 3HD1 LEU 50 -3.533 1.454 4.764 449 1HD2 LEU 50 1HD2 LEU 50 -3.883 -2.104 4.592 450 2HD2 LEU 50 2HD2 LEU 50 -4.626 -0.915 5.654 451 3HD2 LEU 50 3HD2 LEU 50 -3.420 -2.027 6.288 452 H VAL 51 H VAL 51 -0.305 -3.562 2.214 453 HA VAL 51 HA VAL 51 1.057 -1.585 0.528 454 HB VAL 51 HB VAL 51 2.268 -4.250 0.779 455 1HG1 VAL 51 1HG1 VAL 51 3.080 -1.405 0.733 456 2HG1 VAL 51 2HG1 VAL 51 3.716 -2.786 -0.159 457 3HG1 VAL 51 3HG1 VAL 51 4.148 -2.556 1.532 458 1HG2 VAL 51 1HG2 VAL 51 1.533 -2.635 3.171 459 2HG2 VAL 51 2HG2 VAL 51 3.109 -3.428 3.141 460 3HG2 VAL 51 3HG2 VAL 51 1.642 -4.379 2.963 461 H ILE 52 H ILE 52 0.630 -1.499 -1.529 462 HA ILE 52 HA ILE 52 0.540 -3.978 -3.091 463 HB ILE 52 HB ILE 52 -1.059 -1.867 -4.316 464 1HG1 ILE 52 2HG1 ILE 52 -2.220 -3.175 -1.854 465 2HG1 ILE 52 1HG1 ILE 52 -1.629 -1.520 -1.888 466 1HG2 ILE 52 1HG2 ILE 52 -1.224 -4.802 -3.851 467 2HG2 ILE 52 2HG2 ILE 52 -1.234 -3.896 -5.364 468 3HG2 ILE 52 3HG2 ILE 52 -2.674 -3.926 -4.344 469 1HD1 ILE 52 1HD1 ILE 52 -3.619 -0.857 -2.574 470 2HD1 ILE 52 2HD1 ILE 52 -4.179 -2.529 -2.633 471 3HD1 ILE 52 3HD1 ILE 52 -3.414 -1.804 -4.049 472 H VAL 53 H VAL 53 2.572 -3.766 -4.137 473 HA VAL 53 HA VAL 53 2.828 -1.288 -5.684 474 HB VAL 53 HB VAL 53 4.835 -0.611 -4.920 475 1HG1 VAL 53 1HG1 VAL 53 3.198 -1.125 -2.918 476 2HG1 VAL 53 2HG1 VAL 53 4.823 -0.506 -2.645 477 3HG1 VAL 53 3HG1 VAL 53 4.491 -2.223 -2.450 478 1HG2 VAL 53 1HG2 VAL 53 6.131 -2.491 -5.636 479 2HG2 VAL 53 2HG2 VAL 53 5.558 -3.458 -4.278 480 3HG2 VAL 53 3HG2 VAL 53 6.599 -2.063 -3.991 481 H ASP 54 H ASP 54 2.887 -1.763 -7.717 482 HA ASP 54 HA ASP 54 4.237 -4.227 -8.592 483 1HB ASP 54 2HB ASP 54 1.620 -3.647 -8.940 484 2HB ASP 54 1HB ASP 54 2.288 -2.963 -10.418 485 H ASN 55 H ASN 55 5.303 -4.214 -10.637 486 HA ASN 55 HA ASN 55 6.670 -3.422 -12.252 487 1HB ASN 55 2HB ASN 55 4.764 -2.148 -13.034 488 2HB ASN 55 1HB ASN 55 5.099 -0.867 -11.876 489 1HD2 ASN 55 1HD2 ASN 55 6.216 0.800 -12.589 490 2HD2 ASN 55 2HD2 ASN 55 7.225 0.820 -13.991 491 H ASN 56 H ASN 56 6.572 -0.182 -10.894 492 HA ASN 56 HA ASN 56 8.076 0.983 -9.598 493 1HB ASN 56 2HB ASN 56 9.872 -1.427 -9.452 494 2HB ASN 56 1HB ASN 56 9.778 -0.059 -8.347 495 1HD2 ASN 56 1HD2 ASN 56 6.987 0.061 -8.085 496 2HD2 ASN 56 2HD2 ASN 56 6.467 -1.331 -7.204 497 H LYS 57 H LYS 57 8.927 2.463 -10.956 498 HA LYS 57 HA LYS 57 10.545 1.668 -13.209 499 1HB LYS 57 2HB LYS 57 10.952 4.325 -13.171 500 2HB LYS 57 1HB LYS 57 9.530 3.586 -13.885 501 1HG LYS 57 2HG LYS 57 8.615 5.285 -12.652 502 2HG LYS 57 1HG LYS 57 8.489 3.940 -11.526 503 1HD LYS 57 2HD LYS 57 10.304 4.710 -10.239 504 2HD LYS 57 1HD LYS 57 10.857 5.791 -11.516 505 1HE LYS 57 2HE LYS 57 9.324 6.513 -9.328 506 2HE LYS 57 1HE LYS 57 9.549 7.457 -10.801 507 1HZ LYS 57 1HZ LYS 57 7.394 5.443 -10.520 508 2HZ LYS 57 2HZ LYS 57 7.536 6.661 -11.685 509 3HZ LYS 57 3HZ LYS 57 7.189 7.065 -10.080 510 H GLN 58 H GLN 58 12.579 1.077 -12.981 511 HA GLN 58 HA GLN 58 14.049 1.875 -10.625 512 1HB GLN 58 2HB GLN 58 13.983 -0.475 -11.636 513 2HB GLN 58 1HB GLN 58 15.099 0.145 -12.847 514 1HG GLN 58 2HG GLN 58 15.921 0.761 -10.125 515 2HG GLN 58 1HG GLN 58 15.779 -0.969 -10.434 516 1HE2 GLN 58 1HE2 GLN 58 18.047 1.092 -10.129 517 2HE2 GLN 58 2HE2 GLN 58 19.114 0.693 -11.428 518 H LEU 59 H LEU 59 15.643 3.246 -10.476 519 HA LEU 59 HA LEU 59 16.691 4.497 -12.926 520 1HB LEU 59 2HB LEU 59 17.267 6.112 -10.655 521 2HB LEU 59 1HB LEU 59 16.248 6.495 -12.028 522 HG LEU 59 HG LEU 59 15.138 4.912 -9.738 523 1HD1 LEU 59 1HD1 LEU 59 14.613 7.772 -9.615 524 2HD1 LEU 59 2HD1 LEU 59 16.300 7.360 -9.315 525 3HD1 LEU 59 3HD1 LEU 59 15.030 6.636 -8.334 526 1HD2 LEU 59 1HD2 LEU 59 13.567 4.948 -11.397 527 2HD2 LEU 59 2HD2 LEU 59 14.107 6.504 -12.029 528 3HD2 LEU 59 3HD2 LEU 59 13.146 6.438 -10.551 529 H THR 60 H THR 60 18.644 3.719 -13.330 530 HA THR 60 HA THR 60 20.176 2.376 -11.364 531 HB THR 60 HB THR 60 21.939 2.478 -13.278 532 HG1 THR 60 1HG THR 60 21.051 4.034 -14.569 533 1HG2 THR 60 1HG2 THR 60 20.655 0.503 -12.686 534 2HG2 THR 60 2HG2 THR 60 20.836 0.667 -14.434 535 3HG2 THR 60 3HG2 THR 60 19.307 1.089 -13.659 536 H GLY 61 H GLY 61 22.470 2.786 -10.989 537 1HA GLY 61 2HA GLY 61 24.248 4.455 -10.954 538 2HA GLY 61 1HA GLY 61 22.998 5.666 -10.708 539 H LYS 62 H LYS 62 21.687 3.551 -8.861 540 HA LYS 62 HA LYS 62 23.477 3.897 -6.557 541 1HB LYS 62 2HB LYS 62 21.399 4.338 -5.180 542 2HB LYS 62 1HB LYS 62 21.897 5.629 -6.265 543 1HG LYS 62 2HG LYS 62 20.210 4.435 -7.903 544 2HG LYS 62 1HG LYS 62 19.519 3.854 -6.386 545 1HD LYS 62 2HD LYS 62 19.898 6.499 -5.843 546 2HD LYS 62 1HD LYS 62 19.508 6.543 -7.564 547 1HE LYS 62 2HE LYS 62 17.412 5.568 -7.232 548 2HE LYS 62 1HE LYS 62 17.845 4.959 -5.636 549 1HZ LYS 62 1HZ LYS 62 16.745 6.741 -4.905 550 2HZ LYS 62 2HZ LYS 62 16.801 7.533 -6.398 551 3HZ LYS 62 3HZ LYS 62 18.120 7.626 -5.342 552 H HIS 63 H HIS 63 21.689 1.765 -8.417 553 HA HIS 63 HA HIS 63 21.201 -0.446 -8.216 554 1HB HIS 63 2HB HIS 63 22.884 -0.183 -5.720 555 2HB HIS 63 1HB HIS 63 22.253 -1.714 -6.317 556 HD1 HIS 63 1HD HIS 63 23.067 -2.290 -8.878 557 HD2 HIS 63 2HD HIS 63 25.313 0.467 -6.728 558 HE1 HIS 63 1HE HIS 63 25.287 -2.170 -10.053 559 HE2 HIS 63 2HE HIS 63 26.661 -0.565 -8.679 560 H GLU 64 H GLU 64 19.411 1.587 -7.179 561 HA GLU 64 HA GLU 64 17.929 -0.032 -5.258 562 1HB GLU 64 2HB GLU 64 17.998 2.987 -5.345 563 2HB GLU 64 1HB GLU 64 17.259 1.968 -4.113 564 1HG GLU 64 2HG GLU 64 19.308 1.340 -3.215 565 2HG GLU 64 1HG GLU 64 20.182 1.753 -4.677 566 H ILE 65 H ILE 65 15.567 0.250 -5.489 567 HA ILE 65 HA ILE 65 14.950 0.907 -8.293 568 HB ILE 65 HB ILE 65 14.647 -1.496 -7.286 569 1HG1 ILE 65 2HG1 ILE 65 12.526 -0.123 -8.946 570 2HG1 ILE 65 1HG1 ILE 65 13.998 -0.873 -9.550 571 1HG2 ILE 65 1HG2 ILE 65 11.912 -0.514 -6.626 572 2HG2 ILE 65 2HG2 ILE 65 13.191 -0.415 -5.416 573 3HG2 ILE 65 3HG2 ILE 65 12.740 -1.979 -6.097 574 1HD1 ILE 65 1HD1 ILE 65 11.503 -2.135 -8.542 575 2HD1 ILE 65 2HD1 ILE 65 13.031 -3.004 -8.394 576 3HD1 ILE 65 3HD1 ILE 65 12.452 -2.500 -9.983 577 H GLU 66 H GLU 66 13.417 2.231 -8.800 578 HA GLU 66 HA GLU 66 11.944 3.591 -6.651 579 1HB GLU 66 2HB GLU 66 13.683 4.949 -7.818 580 2HB GLU 66 1HB GLU 66 12.846 4.662 -9.333 581 1HG GLU 66 2HG GLU 66 11.149 6.090 -8.838 582 2HG GLU 66 1HG GLU 66 11.316 5.857 -7.103 583 H GLY 67 H GLY 67 9.889 4.572 -7.359 584 1HA GLY 67 2HA GLY 67 8.526 4.079 -9.673 585 2HA GLY 67 1HA GLY 67 8.329 2.608 -8.743 586 H TYR 68 H TYR 68 6.065 3.148 -8.847 587 HA TYR 68 HA TYR 68 5.367 5.037 -6.706 588 1HB TYR 68 2HB TYR 68 4.575 5.186 -9.405 589 2HB TYR 68 1HB TYR 68 3.174 4.568 -8.539 590 HD1 TYR 68 1HD TYR 68 5.506 7.401 -8.845 591 HD2 TYR 68 2HD TYR 68 1.943 5.959 -7.022 592 HE1 TYR 68 1HE TYR 68 4.965 9.683 -8.110 593 HE2 TYR 68 2HE TYR 68 1.392 8.238 -6.282 594 HH TYR 68 HH TYR 68 3.568 10.727 -6.221 595 H THR 69 H THR 69 4.156 4.220 -5.141 596 HA THR 69 HA THR 69 3.289 1.445 -5.463 597 HB THR 69 HB THR 69 4.224 2.941 -3.024 598 HG1 THR 69 1HG THR 69 5.497 1.482 -4.614 599 1HG2 THR 69 1HG2 THR 69 2.498 0.508 -3.187 600 2HG2 THR 69 2HG2 THR 69 2.376 1.886 -2.106 601 3HG2 THR 69 3HG2 THR 69 3.653 0.701 -1.882 602 H LYS 70 H LYS 70 1.413 0.722 -4.701 603 HA LYS 70 HA LYS 70 -0.740 2.699 -4.283 604 1HB LYS 70 2HB LYS 70 -0.430 0.669 -6.141 605 2HB LYS 70 1HB LYS 70 -1.437 -0.063 -4.913 606 1HG LYS 70 2HG LYS 70 -2.889 2.055 -5.128 607 2HG LYS 70 1HG LYS 70 -2.022 2.306 -6.644 608 1HD LYS 70 2HD LYS 70 -2.688 -0.221 -7.034 609 2HD LYS 70 1HD LYS 70 -3.970 0.186 -5.891 610 1HE LYS 70 2HE LYS 70 -3.551 2.153 -8.030 611 2HE LYS 70 1HE LYS 70 -4.105 0.573 -8.580 612 1HZ LYS 70 1HZ LYS 70 -5.467 1.830 -6.306 613 2HZ LYS 70 2HZ LYS 70 -6.082 0.779 -7.482 614 3HZ LYS 70 3HZ LYS 70 -5.797 2.403 -7.865 615 H ILE 71 H ILE 71 -1.991 2.452 -2.375 616 HA ILE 71 HA ILE 71 -1.403 0.029 -0.804 617 HB ILE 71 HB ILE 71 -0.916 2.805 0.072 618 1HG1 ILE 71 2HG1 ILE 71 0.511 0.685 1.409 619 2HG1 ILE 71 1HG1 ILE 71 0.565 0.466 -0.335 620 1HG2 ILE 71 1HG2 ILE 71 -1.039 1.393 2.433 621 2HG2 ILE 71 2HG2 ILE 71 -2.543 1.042 1.615 622 3HG2 ILE 71 3HG2 ILE 71 -2.083 2.710 1.921 623 1HD1 ILE 71 1HD1 ILE 71 1.951 2.197 -0.616 624 2HD1 ILE 71 2HD1 ILE 71 2.294 1.945 1.088 625 3HD1 ILE 71 3HD1 ILE 71 1.146 3.184 0.598 626 H TYR 72 H TYR 72 -2.919 -0.795 0.535 627 HA TYR 72 HA TYR 72 -5.539 0.575 0.405 628 1HB TYR 72 2HB TYR 72 -6.731 -1.399 0.159 629 2HB TYR 72 1HB TYR 72 -5.378 -1.562 -0.950 630 HD1 TYR 72 1HD TYR 72 -6.617 -2.602 2.398 631 HD2 TYR 72 2HD TYR 72 -3.984 -3.440 -0.836 632 HE1 TYR 72 1HE TYR 72 -6.134 -4.810 3.369 633 HE2 TYR 72 2HE TYR 72 -3.488 -5.645 0.128 634 HH TYR 72 HH TYR 72 -3.575 -6.791 2.247 635 H ALA 73 H ALA 73 -6.194 1.331 2.137 636 HA ALA 73 HA ALA 73 -5.234 0.490 4.731 637 1HB ALA 73 1HB ALA 73 -5.150 2.767 4.616 638 2HB ALA 73 2HB ALA 73 -6.727 2.542 5.372 639 3HB ALA 73 3HB ALA 73 -6.619 2.880 3.647 640 H ASP 74 H ASP 74 -7.797 -0.387 2.819 641 HA ASP 74 HA ASP 74 -9.917 -0.385 4.706 642 1HB ASP 74 2HB ASP 74 -11.116 -1.739 3.062 643 2HB ASP 74 1HB ASP 74 -10.311 -0.375 2.290 644 H LYS 75 H LYS 75 -7.176 -2.241 4.764 645 HA LYS 75 HA LYS 75 -7.808 -4.851 5.099 646 1HB LYS 75 2HB LYS 75 -5.638 -4.760 5.627 647 2HB LYS 75 1HB LYS 75 -5.755 -3.079 6.116 648 1HG LYS 75 2HG LYS 75 -6.717 -4.021 8.324 649 2HG LYS 75 1HG LYS 75 -6.038 -5.553 7.782 650 1HD LYS 75 2HD LYS 75 -3.947 -4.904 8.257 651 2HD LYS 75 1HD LYS 75 -4.189 -3.306 7.551 652 1HE LYS 75 2HE LYS 75 -4.897 -2.391 9.530 653 2HE LYS 75 1HE LYS 75 -5.500 -3.927 10.148 654 1HZ LYS 75 1HZ LYS 75 -3.181 -4.640 10.430 655 2HZ LYS 75 2HZ LYS 75 -3.544 -3.270 11.355 656 3HZ LYS 75 3HZ LYS 75 -2.652 -3.113 9.926 657 HA PRO 76 HA PRO 76 -9.093 -3.850 9.848 658 1HB PRO 76 2HB PRO 76 -10.518 -1.365 8.973 659 2HB PRO 76 1HB PRO 76 -9.802 -1.754 10.544 660 1HG PRO 76 2HG PRO 76 -8.534 -0.151 8.838 661 2HG PRO 76 1HG PRO 76 -7.641 -1.332 9.815 662 1HD PRO 76 2HD PRO 76 -8.278 -1.376 6.919 663 2HD PRO 76 1HD PRO 76 -6.902 -2.085 7.780 664 H SER 77 H SER 77 -11.037 -2.750 7.080 665 HA SER 77 HA SER 77 -13.442 -3.956 8.075 666 1HB SER 77 2HB SER 77 -12.953 -1.971 6.280 667 2HB SER 77 1HB SER 77 -13.279 -3.322 5.193 668 HG SER 77 HG SER 77 -15.230 -3.649 6.479 669 H ALA 78 H ALA 78 -10.873 -4.863 5.870 670 HA ALA 78 HA ALA 78 -12.225 -7.100 4.740 671 1HB ALA 78 1HB ALA 78 -9.670 -7.709 4.275 672 2HB ALA 78 2HB ALA 78 -9.482 -5.998 4.659 673 3HB ALA 78 3HB ALA 78 -10.547 -6.495 3.344 674 H MET 79 H MET 79 -9.617 -6.859 7.175 675 HA MET 79 HA MET 79 -9.656 -9.641 7.761 676 1HB MET 79 2HB MET 79 -7.750 -7.968 8.110 677 2HB MET 79 1HB MET 79 -8.582 -7.511 9.590 678 1HG MET 79 2HG MET 79 -7.510 -9.145 10.617 679 2HG MET 79 1HG MET 79 -8.454 -10.291 9.670 680 1HE MET 79 1HE MET 79 -7.948 -11.372 7.807 681 2HE MET 79 2HE MET 79 -6.603 -12.352 8.393 682 3HE MET 79 3HE MET 79 -6.440 -11.438 6.892 683 H LEU 80 H LEU 80 -10.946 -6.811 9.494 684 HA LEU 80 HA LEU 80 -11.964 -8.320 11.669 685 1HB LEU 80 2HB LEU 80 -11.433 -5.778 11.449 686 2HB LEU 80 1HB LEU 80 -13.088 -5.665 10.887 687 HG LEU 80 HG LEU 80 -13.043 -5.151 13.227 688 1HD1 LEU 80 1HD1 LEU 80 -14.062 -7.957 13.219 689 2HD1 LEU 80 2HD1 LEU 80 -14.822 -6.739 12.194 690 3HD1 LEU 80 3HD1 LEU 80 -14.763 -6.508 13.943 691 1HD2 LEU 80 1HD2 LEU 80 -11.274 -6.000 14.324 692 2HD2 LEU 80 2HD2 LEU 80 -11.217 -7.452 13.324 693 3HD2 LEU 80 3HD2 LEU 80 -12.364 -7.346 14.660 694 H TYR 81 H TYR 81 -13.487 -7.111 8.692 695 HA TYR 81 HA TYR 81 -16.032 -8.249 9.536 696 1HB TYR 81 2HB TYR 81 -15.317 -6.053 7.945 697 2HB TYR 81 1HB TYR 81 -16.063 -7.206 6.845 698 HD1 TYR 81 1HD TYR 81 -18.357 -7.095 6.586 699 HD2 TYR 81 2HD TYR 81 -16.640 -5.733 10.233 700 HE1 TYR 81 1HE TYR 81 -20.579 -6.381 7.359 701 HE2 TYR 81 2HE TYR 81 -18.857 -5.017 11.016 702 HH TYR 81 HH TYR 81 -21.059 -4.334 9.941 703 H GLU 82 H GLU 82 -13.433 -8.916 7.300 704 HA GLU 82 HA GLU 82 -13.012 -10.679 5.921 705 1HB GLU 82 2HB GLU 82 -14.051 -11.721 8.263 706 2HB GLU 82 1HB GLU 82 -15.015 -12.500 7.016 707 1HG GLU 82 2HG GLU 82 -12.090 -12.442 6.603 708 2HG GLU 82 1HG GLU 82 -12.699 -13.478 7.894 709 HA PRO 83 HA PRO 83 -17.070 -10.019 3.637 710 1HB PRO 83 2HB PRO 83 -16.498 -7.893 2.124 711 2HB PRO 83 1HB PRO 83 -17.013 -7.704 3.805 712 1HG PRO 83 2HG PRO 83 -14.258 -7.582 2.642 713 2HG PRO 83 1HG PRO 83 -15.001 -6.544 3.871 714 1HD PRO 83 2HD PRO 83 -13.310 -8.649 4.426 715 2HD PRO 83 1HD PRO 83 -14.505 -7.995 5.563 716 H ASP 84 H ASP 84 -13.756 -10.395 2.842 717 HA ASP 84 HA ASP 84 -14.112 -10.761 0.019 718 1HB ASP 84 2HB ASP 84 -11.887 -10.755 1.917 719 2HB ASP 84 1HB ASP 84 -11.711 -11.969 0.653 720 H TYR 85 H TYR 85 -14.982 -12.640 2.614 721 HA TYR 85 HA TYR 85 -14.962 -15.051 0.939 722 1HB TYR 85 2HB TYR 85 -13.720 -14.678 3.572 723 2HB TYR 85 1HB TYR 85 -14.770 -16.086 3.475 724 HD1 TYR 85 1HD TYR 85 -14.318 -17.815 1.697 725 HD2 TYR 85 2HD TYR 85 -11.577 -14.686 2.586 726 HE1 TYR 85 1HE TYR 85 -12.525 -19.078 0.585 727 HE2 TYR 85 2HE TYR 85 -9.775 -15.939 1.477 728 HH TYR 85 HH TYR 85 -9.735 -17.804 -0.430 729 H GLU 86 H GLU 86 -16.818 -16.195 0.929 730 HA GLU 86 HA GLU 86 -18.964 -15.284 2.731 731 1HB GLU 86 2HB GLU 86 -20.506 -16.101 0.879 732 2HB GLU 86 1HB GLU 86 -19.588 -14.641 0.545 733 1HG GLU 86 2HG GLU 86 -18.377 -15.609 -1.089 734 2HG GLU 86 1HG GLU 86 -18.326 -17.171 -0.277 735 H LEU 87 H LEU 87 -19.402 -16.743 4.237 736 HA LEU 87 HA LEU 87 -18.586 -19.450 4.097 737 1HB LEU 87 2HB LEU 87 -19.055 -17.967 6.161 738 2HB LEU 87 1HB LEU 87 -20.728 -18.440 5.940 739 HG LEU 87 HG LEU 87 -18.698 -20.610 6.068 740 1HD1 LEU 87 1HD1 LEU 87 -17.849 -19.712 7.959 741 2HD1 LEU 87 2HD1 LEU 87 -19.301 -20.419 8.670 742 3HD1 LEU 87 3HD1 LEU 87 -19.268 -18.705 8.250 743 1HD2 LEU 87 1HD2 LEU 87 -21.580 -20.211 6.549 744 2HD2 LEU 87 2HD2 LEU 87 -20.763 -21.346 7.623 745 3HD2 LEU 87 3HD2 LEU 87 -20.719 -21.597 5.877 746 H ILE 88 H ILE 88 -21.827 -17.971 3.977 747 HA ILE 88 HA ILE 88 -22.722 -20.266 2.378 748 HB ILE 88 HB ILE 88 -23.463 -20.643 4.691 749 1HG1 ILE 88 2HG1 ILE 88 -25.845 -20.989 4.201 750 2HG1 ILE 88 1HG1 ILE 88 -25.725 -19.902 2.822 751 1HG2 ILE 88 1HG2 ILE 88 -24.972 -18.055 4.370 752 2HG2 ILE 88 2HG2 ILE 88 -23.576 -18.316 5.414 753 3HG2 ILE 88 3HG2 ILE 88 -25.089 -19.162 5.737 754 1HD1 ILE 88 1HD1 ILE 88 -25.055 -21.552 1.515 755 2HD1 ILE 88 2HD1 ILE 88 -25.362 -22.665 2.848 756 3HD1 ILE 88 3HD1 ILE 88 -23.753 -21.976 2.627 757 H ARG 89 H ARG 89 -23.335 -16.945 3.434 758 HA ARG 89 HA ARG 89 -25.477 -16.227 1.897 759 1HB ARG 89 2HB ARG 89 -23.048 -14.465 2.200 760 2HB ARG 89 1HB ARG 89 -24.728 -13.967 2.039 761 1HG ARG 89 2HG ARG 89 -24.770 -13.811 4.252 762 2HG ARG 89 1HG ARG 89 -24.730 -15.574 4.289 763 1HD ARG 89 2HD ARG 89 -22.347 -15.582 4.495 764 2HD ARG 89 1HD ARG 89 -22.266 -13.845 4.211 765 HE ARG 89 HE ARG 89 -22.801 -15.155 6.689 766 1HH1 ARG 89 1HH1 ARG 89 -23.456 -12.268 4.843 767 2HH1 ARG 89 2HH1 ARG 89 -23.759 -11.292 6.241 768 1HH2 ARG 89 1HH2 ARG 89 -23.197 -13.874 8.529 769 2HH2 ARG 89 2HH2 ARG 89 -23.611 -12.204 8.334 770 H ASN 90 H ASN 90 -25.905 -15.834 -0.198 771 HA ASN 90 HA ASN 90 -23.669 -15.812 -2.105 772 1HB ASN 90 2HB ASN 90 -25.788 -17.793 -1.873 773 2HB ASN 90 1HB ASN 90 -25.752 -17.056 -3.471 774 1HD2 ASN 90 1HD2 ASN 90 -23.654 -18.545 -1.043 775 2HD2 ASN 90 2HD2 ASN 90 -22.582 -19.290 -2.173 776 H GLY 91 H GLY 91 -27.142 -15.205 -1.640 777 1HA GLY 91 2HA GLY 91 -27.203 -12.587 -2.426 778 2HA GLY 91 1HA GLY 91 -27.322 -13.485 -3.931 779 H LEU 92 H LEU 92 -28.855 -12.907 -0.812 780 HA LEU 92 HA LEU 92 -31.459 -13.040 -1.964 781 1HB LEU 92 2HB LEU 92 -30.492 -15.500 -1.354 782 2HB LEU 92 1HB LEU 92 -31.249 -15.071 0.168 783 HG LEU 92 HG LEU 92 -32.801 -16.336 -1.178 784 1HD1 LEU 92 1HD1 LEU 92 -34.597 -14.512 -1.487 785 2HD1 LEU 92 2HD1 LEU 92 -33.391 -13.427 -0.791 786 3HD1 LEU 92 3HD1 LEU 92 -33.965 -14.817 0.131 787 1HD2 LEU 92 1HD2 LEU 92 -32.765 -14.186 -3.266 788 2HD2 LEU 92 2HD2 LEU 92 -33.424 -15.819 -3.363 789 3HD2 LEU 92 3HD2 LEU 92 -31.678 -15.572 -3.358 790 H LYS 93 H LYS 93 -30.115 -11.070 -0.570 791 HA LYS 93 HA LYS 93 -31.984 -10.517 1.520 792 1HB LYS 93 2HB LYS 93 -30.073 -12.033 2.497 793 2HB LYS 93 1HB LYS 93 -29.148 -10.538 2.476 794 1HG LYS 93 2HG LYS 93 -31.781 -10.204 3.657 795 2HG LYS 93 1HG LYS 93 -30.798 -11.405 4.498 796 1HD LYS 93 2HD LYS 93 -28.984 -9.773 4.702 797 2HD LYS 93 1HD LYS 93 -29.967 -8.574 3.857 798 1HE LYS 93 2HE LYS 93 -31.420 -8.322 5.636 799 2HE LYS 93 1HE LYS 93 -31.032 -9.903 6.311 800 1HZ LYS 93 1HZ LYS 93 -30.134 -7.879 7.513 801 2HZ LYS 93 2HZ LYS 93 -29.046 -7.714 6.229 802 3HZ LYS 93 3HZ LYS 93 -29.027 -9.115 7.177 803 H GLN 94 H GLN 94 -32.460 -8.584 0.618 804 HA GLN 94 HA GLN 94 -30.278 -6.745 -0.033 805 1HB GLN 94 2HB GLN 94 -33.238 -6.437 -0.558 806 2HB GLN 94 1HB GLN 94 -31.950 -5.427 -1.198 807 1HG GLN 94 2HG GLN 94 -31.254 -7.020 -2.699 808 2HG GLN 94 1HG GLN 94 -31.932 -8.351 -1.761 809 1HE2 GLN 94 1HE2 GLN 94 -33.633 -9.255 -2.646 810 2HE2 GLN 94 2HE2 GLN 94 -34.796 -8.481 -3.662 811 H LYS 95 H LYS 95 -31.157 -7.420 2.739 812 HA LYS 95 HA LYS 95 -31.523 -6.384 4.729 813 1HB LYS 95 2HB LYS 95 -29.649 -4.950 3.520 814 2HB LYS 95 1HB LYS 95 -30.906 -3.721 3.541 815 1HG LYS 95 2HG LYS 95 -30.996 -4.601 6.105 816 2HG LYS 95 1HG LYS 95 -29.283 -4.801 5.728 817 1HD LYS 95 2HD LYS 95 -29.630 -2.604 6.651 818 2HD LYS 95 1HD LYS 95 -29.234 -2.448 4.939 819 1HE LYS 95 2HE LYS 95 -31.408 -1.876 4.360 820 2HE LYS 95 1HE LYS 95 -32.089 -2.577 5.828 821 1HZ LYS 95 1HZ LYS 95 -31.721 0.029 5.488 822 2HZ LYS 95 2HZ LYS 95 -30.242 -0.365 6.207 823 3HZ LYS 95 3HZ LYS 95 -31.691 -0.717 7.005 824 H GLU 96 H GLU 96 -33.751 -6.607 2.872 825 HA GLU 96 HA GLU 96 -35.674 -5.140 4.282 826 1HB GLU 96 2HB GLU 96 -36.388 -3.508 2.649 827 2HB GLU 96 1HB GLU 96 -34.698 -3.233 3.043 828 1HG GLU 96 2HG GLU 96 -34.084 -4.473 0.976 829 2HG GLU 96 1HG GLU 96 -35.797 -4.535 0.565 830 H ALA 97 H ALA 97 -34.939 -6.460 1.066 831 HA ALA 97 HA ALA 97 -36.010 -7.990 -0.231 832 1HB ALA 97 1HB ALA 97 -36.862 -8.705 2.504 833 2HB ALA 97 2HB ALA 97 -36.088 -9.687 1.261 834 3HB ALA 97 3HB ALA 97 -37.820 -9.369 1.181 835 H LYS 98 H LYS 98 -37.705 -7.959 -1.631 836 HA LYS 98 HA LYS 98 -39.737 -5.924 -1.156 837 1HB LYS 98 2HB LYS 98 -38.572 -7.250 -3.537 838 2HB LYS 98 1HB LYS 98 -40.262 -6.782 -3.658 839 1HG LYS 98 2HG LYS 98 -39.509 -4.479 -2.873 840 2HG LYS 98 1HG LYS 98 -37.869 -5.032 -3.218 841 1HD LYS 98 2HD LYS 98 -38.414 -5.402 -5.522 842 2HD LYS 98 1HD LYS 98 -40.124 -5.091 -5.218 843 1HE LYS 98 2HE LYS 98 -39.830 -2.827 -5.077 844 2HE LYS 98 1HE LYS 98 -38.165 -2.971 -4.511 845 1HZ LYS 98 1HZ LYS 98 -37.804 -2.262 -6.625 846 2HZ LYS 98 2HZ LYS 98 -39.209 -2.973 -7.244 847 3HZ LYS 98 3HZ LYS 98 -37.849 -3.925 -6.927 Start of MODEL 10 1 1H MET 1 H MET 1 17.315 -4.149 3.167 2 HA MET 1 HA MET 1 17.670 -2.384 0.880 3 1HB MET 1 2HB MET 1 15.172 -2.674 0.678 4 2HB MET 1 1HB MET 1 16.092 -4.159 0.558 5 1HG MET 1 2HG MET 1 15.540 -4.023 3.218 6 2HG MET 1 1HG MET 1 14.097 -3.323 2.494 7 1HE MET 1 1HE MET 1 15.881 -7.434 1.989 8 2HE MET 1 2HE MET 1 16.715 -5.880 1.970 9 3HE MET 1 3HE MET 1 16.024 -6.527 0.484 10 H ASP 2 H ASP 2 16.394 -0.267 0.738 11 HA ASP 2 HA ASP 2 15.749 0.794 3.429 12 1HB ASP 2 2HB ASP 2 17.590 2.053 1.402 13 2HB ASP 2 1HB ASP 2 16.851 2.968 2.708 14 H LEU 3 H LEU 3 14.019 2.304 3.410 15 HA LEU 3 HA LEU 3 12.905 2.562 0.707 16 1HB LEU 3 2HB LEU 3 11.787 1.159 2.543 17 2HB LEU 3 1HB LEU 3 11.242 2.683 3.188 18 HG LEU 3 HG LEU 3 9.744 1.232 1.608 19 1HD1 LEU 3 1HD1 LEU 3 9.245 3.435 2.640 20 2HD1 LEU 3 2HD1 LEU 3 8.470 3.146 1.084 21 3HD1 LEU 3 3HD1 LEU 3 9.888 4.193 1.184 22 1HD2 LEU 3 1HD2 LEU 3 9.832 1.926 -0.715 23 2HD2 LEU 3 2HD2 LEU 3 11.320 1.110 -0.244 24 3HD2 LEU 3 3HD2 LEU 3 11.285 2.866 -0.392 25 H ILE 4 H ILE 4 13.081 4.546 -0.089 26 HA ILE 4 HA ILE 4 12.586 6.788 1.790 27 HB ILE 4 HB ILE 4 13.437 8.285 -0.039 28 1HG1 ILE 4 2HG1 ILE 4 13.988 5.630 -1.253 29 2HG1 ILE 4 1HG1 ILE 4 13.580 7.155 -2.025 30 1HG2 ILE 4 1HG2 ILE 4 14.722 7.843 1.955 31 2HG2 ILE 4 2HG2 ILE 4 15.806 7.917 0.566 32 3HG2 ILE 4 3HG2 ILE 4 15.360 6.355 1.256 33 1HD1 ILE 4 1HD1 ILE 4 15.714 7.020 -2.718 34 2HD1 ILE 4 2HD1 ILE 4 16.207 6.003 -1.366 35 3HD1 ILE 4 3HD1 ILE 4 16.042 7.744 -1.145 36 H ILE 5 H ILE 5 10.613 7.347 1.756 37 HA ILE 5 HA ILE 5 9.013 6.829 -0.616 38 HB ILE 5 HB ILE 5 8.594 5.657 1.483 39 1HG1 ILE 5 2HG1 ILE 5 6.066 6.358 1.525 40 2HG1 ILE 5 1HG1 ILE 5 6.536 7.307 0.116 41 1HG2 ILE 5 1HG2 ILE 5 8.916 6.952 3.273 42 2HG2 ILE 5 2HG2 ILE 5 7.183 7.224 3.103 43 3HG2 ILE 5 3HG2 ILE 5 8.328 8.407 2.476 44 1HD1 ILE 5 1HD1 ILE 5 5.789 4.654 0.154 45 2HD1 ILE 5 2HD1 ILE 5 7.540 4.605 -0.026 46 3HD1 ILE 5 3HD1 ILE 5 6.559 5.508 -1.177 47 H LYS 6 H LYS 6 7.600 8.201 -1.515 48 HA LYS 6 HA LYS 6 7.281 10.949 -0.530 49 1HB LYS 6 2HB LYS 6 8.834 10.471 -2.686 50 2HB LYS 6 1HB LYS 6 7.263 10.509 -3.476 51 1HG LYS 6 2HG LYS 6 6.869 12.739 -2.452 52 2HG LYS 6 1HG LYS 6 8.523 12.698 -1.839 53 1HD LYS 6 2HD LYS 6 9.352 12.486 -4.147 54 2HD LYS 6 1HD LYS 6 7.693 12.579 -4.739 55 1HE LYS 6 2HE LYS 6 7.497 14.812 -4.241 56 2HE LYS 6 1HE LYS 6 8.701 14.741 -2.955 57 1HZ LYS 6 1HZ LYS 6 9.253 14.627 -5.872 58 2HZ LYS 6 2HZ LYS 6 10.421 14.510 -4.653 59 3HZ LYS 6 3HZ LYS 6 9.549 15.946 -4.853 60 H GLU 7 H GLU 7 5.423 9.907 0.373 61 HA GLU 7 HA GLU 7 3.424 8.602 -1.107 62 1HB GLU 7 2HB GLU 7 3.276 9.745 1.617 63 2HB GLU 7 1HB GLU 7 2.286 8.451 0.943 64 1HG GLU 7 2HG GLU 7 3.857 6.977 1.614 65 2HG GLU 7 1HG GLU 7 4.945 7.693 0.429 66 H LYS 8 H LYS 8 1.479 9.028 -1.808 67 HA LYS 8 HA LYS 8 0.406 11.742 -1.641 68 1HB LYS 8 2HB LYS 8 1.262 10.334 -4.029 69 2HB LYS 8 1HB LYS 8 -0.466 10.655 -4.090 70 1HG LYS 8 2HG LYS 8 -0.182 12.869 -4.345 71 2HG LYS 8 1HG LYS 8 1.203 12.925 -3.253 72 1HD LYS 8 2HD LYS 8 2.630 12.880 -4.962 73 2HD LYS 8 1HD LYS 8 1.860 11.441 -5.631 74 1HE LYS 8 2HE LYS 8 0.229 12.791 -6.782 75 2HE LYS 8 1HE LYS 8 0.847 14.253 -6.016 76 1HZ LYS 8 1HZ LYS 8 1.583 13.474 -8.431 77 2HZ LYS 8 2HZ LYS 8 2.765 12.668 -7.528 78 3HZ LYS 8 3HZ LYS 8 2.607 14.348 -7.404 79 H ARG 9 H ARG 9 -1.927 11.670 -1.243 80 HA ARG 9 HA ARG 9 -2.902 8.894 -1.024 81 1HB ARG 9 2HB ARG 9 -4.195 9.670 0.978 82 2HB ARG 9 1HB ARG 9 -2.448 9.634 1.162 83 1HG ARG 9 2HG ARG 9 -2.431 12.086 0.661 84 2HG ARG 9 1HG ARG 9 -4.195 12.045 0.744 85 1HD ARG 9 2HD ARG 9 -2.279 11.296 2.951 86 2HD ARG 9 1HD ARG 9 -3.253 12.764 2.868 87 HE ARG 9 HE ARG 9 -4.812 10.358 2.746 88 1HH1 ARG 9 1HH1 ARG 9 -3.264 12.642 4.883 89 2HH1 ARG 9 2HH1 ARG 9 -4.305 12.287 6.221 90 1HH2 ARG 9 1HH2 ARG 9 -6.182 9.890 4.503 91 2HH2 ARG 9 2HH2 ARG 9 -5.962 10.723 6.005 92 H ASP 10 H ASP 10 -4.911 8.330 -1.255 93 HA ASP 10 HA ASP 10 -6.769 10.137 -2.632 94 1HB ASP 10 2HB ASP 10 -5.934 7.570 -3.359 95 2HB ASP 10 1HB ASP 10 -7.492 7.295 -2.586 96 H ASN 11 H ASN 11 -8.522 10.710 -1.470 97 HA ASN 11 HA ASN 11 -8.478 10.067 1.253 98 1HB ASN 11 2HB ASN 11 -10.212 11.747 -0.493 99 2HB ASN 11 1HB ASN 11 -10.736 11.406 1.149 100 1HD2 ASN 11 1HD2 ASN 11 -8.422 11.463 2.563 101 2HD2 ASN 11 2HD2 ASN 11 -7.703 13.029 2.480 102 HA PRO 12 HA PRO 12 -11.099 7.146 2.919 103 1HB PRO 12 2HB PRO 12 -12.973 9.434 3.376 104 2HB PRO 12 1HB PRO 12 -12.583 8.079 4.445 105 1HG PRO 12 2HG PRO 12 -11.355 10.414 4.737 106 2HG PRO 12 1HG PRO 12 -10.467 8.891 4.921 107 1HD PRO 12 2HD PRO 12 -10.318 10.896 2.779 108 2HD PRO 12 1HD PRO 12 -9.137 9.666 3.250 109 H ILE 13 H ILE 13 -12.458 8.635 0.023 110 HA ILE 13 HA ILE 13 -15.057 7.573 0.248 111 HB ILE 13 HB ILE 13 -15.238 7.625 -2.113 112 1HG1 ILE 13 2HG1 ILE 13 -12.221 7.393 -2.203 113 2HG1 ILE 13 1HG1 ILE 13 -13.384 6.162 -2.685 114 1HG2 ILE 13 1HG2 ILE 13 -13.102 9.660 -1.994 115 2HG2 ILE 13 2HG2 ILE 13 -14.384 9.790 -0.792 116 3HG2 ILE 13 3HG2 ILE 13 -14.783 9.802 -2.509 117 1HD1 ILE 13 1HD1 ILE 13 -12.172 8.053 -4.316 118 2HD1 ILE 13 2HD1 ILE 13 -13.830 8.626 -4.118 119 3HD1 ILE 13 3HD1 ILE 13 -13.524 7.000 -4.732 120 H LEU 14 H LEU 14 -12.039 6.176 -0.881 121 HA LEU 14 HA LEU 14 -13.035 3.545 -0.131 122 1HB LEU 14 2HB LEU 14 -11.530 2.433 -1.630 123 2HB LEU 14 1HB LEU 14 -12.615 3.459 -2.515 124 HG LEU 14 HG LEU 14 -10.921 4.609 -3.456 125 1HD1 LEU 14 1HD1 LEU 14 -9.047 5.533 -2.297 126 2HD1 LEU 14 2HD1 LEU 14 -9.304 4.458 -0.931 127 3HD1 LEU 14 3HD1 LEU 14 -10.460 5.739 -1.265 128 1HD2 LEU 14 1HD2 LEU 14 -9.669 2.147 -2.335 129 2HD2 LEU 14 2HD2 LEU 14 -8.673 3.306 -3.213 130 3HD2 LEU 14 3HD2 LEU 14 -10.052 2.552 -4.005 131 H LYS 15 H LYS 15 -11.128 6.099 0.665 132 HA LYS 15 HA LYS 15 -9.455 6.455 2.126 133 1HB LYS 15 2HB LYS 15 -9.384 5.050 4.079 134 2HB LYS 15 1HB LYS 15 -11.037 5.302 3.550 135 1HG LYS 15 2HG LYS 15 -9.735 2.851 2.580 136 2HG LYS 15 1HG LYS 15 -10.111 2.933 4.302 137 1HD LYS 15 2HD LYS 15 -12.305 3.925 2.679 138 2HD LYS 15 1HD LYS 15 -11.878 2.268 2.252 139 1HE LYS 15 2HE LYS 15 -12.353 3.184 5.083 140 2HE LYS 15 1HE LYS 15 -13.614 2.500 4.057 141 1HZ LYS 15 1HZ LYS 15 -11.077 1.095 4.676 142 2HZ LYS 15 2HZ LYS 15 -12.459 0.451 3.945 143 3HZ LYS 15 3HZ LYS 15 -12.495 0.892 5.578 144 H ARG 16 H ARG 16 -8.346 5.929 -0.177 145 HA ARG 16 HA ARG 16 -6.178 4.074 0.523 146 1HB ARG 16 2HB ARG 16 -7.634 4.111 -2.099 147 2HB ARG 16 1HB ARG 16 -6.107 3.283 -1.846 148 1HG ARG 16 2HG ARG 16 -8.788 2.652 -0.666 149 2HG ARG 16 1HG ARG 16 -7.723 1.614 -1.614 150 1HD ARG 16 2HD ARG 16 -7.671 2.270 1.262 151 2HD ARG 16 1HD ARG 16 -7.242 0.781 0.435 152 HE ARG 16 HE ARG 16 -5.172 2.049 -0.276 153 1HH1 ARG 16 1HH1 ARG 16 -6.785 2.805 2.719 154 2HH1 ARG 16 2HH1 ARG 16 -5.357 3.420 3.475 155 1HH2 ARG 16 1HH2 ARG 16 -3.303 2.902 0.723 156 2HH2 ARG 16 2HH2 ARG 16 -3.394 3.467 2.356 157 H LYS 17 H LYS 17 -4.185 4.270 -0.662 158 HA LYS 17 HA LYS 17 -3.927 6.995 -1.738 159 1HB LYS 17 2HB LYS 17 -3.143 7.724 0.172 160 2HB LYS 17 1HB LYS 17 -3.141 6.109 0.842 161 1HG LYS 17 2HG LYS 17 -0.902 6.861 -0.937 162 2HG LYS 17 1HG LYS 17 -0.962 7.562 0.672 163 1HD LYS 17 2HD LYS 17 0.304 5.622 0.933 164 2HD LYS 17 1HD LYS 17 -1.302 5.183 1.507 165 1HE LYS 17 2HE LYS 17 -0.259 3.475 0.083 166 2HE LYS 17 1HE LYS 17 -1.784 4.045 -0.561 167 1HZ LYS 17 1HZ LYS 17 0.850 4.178 -1.644 168 2HZ LYS 17 2HZ LYS 17 0.029 5.638 -1.746 169 3HZ LYS 17 3HZ LYS 17 -0.631 4.241 -2.428 170 H GLU 18 H GLU 18 -1.813 7.556 -2.704 171 HA GLU 18 HA GLU 18 -0.443 5.245 -3.915 172 1HB GLU 18 2HB GLU 18 -2.139 6.758 -5.368 173 2HB GLU 18 1HB GLU 18 -0.653 7.679 -5.559 174 1HG GLU 18 2HG GLU 18 0.247 6.172 -6.927 175 2HG GLU 18 1HG GLU 18 -0.309 4.815 -5.950 176 H ILE 19 H ILE 19 1.615 5.341 -3.426 177 HA ILE 19 HA ILE 19 2.890 7.945 -2.947 178 HB ILE 19 HB ILE 19 3.980 7.225 -1.024 179 1HG1 ILE 19 2HG1 ILE 19 4.793 5.108 -1.738 180 2HG1 ILE 19 1HG1 ILE 19 3.874 4.875 -0.252 181 1HG2 ILE 19 1HG2 ILE 19 1.475 5.693 -0.590 182 2HG2 ILE 19 2HG2 ILE 19 1.354 7.408 -0.969 183 3HG2 ILE 19 3HG2 ILE 19 2.251 6.872 0.445 184 1HD1 ILE 19 1HD1 ILE 19 3.211 4.112 -3.021 185 2HD1 ILE 19 2HD1 ILE 19 1.922 4.464 -1.896 186 3HD1 ILE 19 3HD1 ILE 19 3.061 3.181 -1.539 187 H LYS 20 H LYS 20 5.093 8.121 -3.257 188 HA LYS 20 HA LYS 20 6.142 6.298 -5.315 189 1HB LYS 20 2HB LYS 20 7.562 8.753 -4.390 190 2HB LYS 20 1HB LYS 20 7.474 8.054 -6.007 191 1HG LYS 20 2HG LYS 20 4.966 9.019 -4.802 192 2HG LYS 20 1HG LYS 20 6.148 10.224 -5.321 193 1HD LYS 20 2HD LYS 20 6.275 8.776 -7.478 194 2HD LYS 20 1HD LYS 20 4.721 8.146 -6.930 195 1HE LYS 20 2HE LYS 20 3.629 10.022 -7.511 196 2HE LYS 20 1HE LYS 20 4.885 11.063 -6.846 197 1HZ LYS 20 1HZ LYS 20 6.109 10.107 -9.012 198 2HZ LYS 20 2HZ LYS 20 5.224 11.547 -8.997 199 3HZ LYS 20 3HZ LYS 20 4.508 10.122 -9.560 200 H TYR 21 H TYR 21 7.898 5.047 -4.998 201 HA TYR 21 HA TYR 21 9.310 5.407 -2.436 202 1HB TYR 21 2HB TYR 21 8.766 3.336 -1.603 203 2HB TYR 21 1HB TYR 21 7.303 3.757 -2.470 204 HD1 TYR 21 1HD TYR 21 8.575 0.965 -1.665 205 HD2 TYR 21 2HD TYR 21 8.326 3.190 -5.280 206 HE1 TYR 21 1HE TYR 21 8.703 -1.122 -2.956 207 HE2 TYR 21 2HE TYR 21 8.452 1.111 -6.579 208 HH TYR 21 HH TYR 21 7.958 -1.896 -5.285 209 H VAL 22 H VAL 22 11.310 4.507 -2.143 210 HA VAL 22 HA VAL 22 12.584 3.160 -4.404 211 HB VAL 22 HB VAL 22 13.520 5.777 -3.424 212 1HG1 VAL 22 1HG1 VAL 22 15.943 5.164 -3.524 213 2HG1 VAL 22 2HG1 VAL 22 15.479 3.464 -3.559 214 3HG1 VAL 22 3HG1 VAL 22 15.120 4.444 -2.139 215 1HG2 VAL 22 1HG2 VAL 22 14.677 4.189 -5.688 216 2HG2 VAL 22 2HG2 VAL 22 14.488 5.936 -5.538 217 3HG2 VAL 22 3HG2 VAL 22 13.084 4.920 -5.815 218 H LEU 23 H LEU 23 13.752 1.446 -3.742 219 HA LEU 23 HA LEU 23 14.088 1.096 -0.895 220 1HB LEU 23 2HB LEU 23 12.684 -0.557 -2.358 221 2HB LEU 23 1HB LEU 23 14.227 -1.058 -3.002 222 HG LEU 23 HG LEU 23 14.847 -1.367 -0.463 223 1HD1 LEU 23 1HD1 LEU 23 13.096 -0.872 0.846 224 2HD1 LEU 23 2HD1 LEU 23 12.571 -2.502 0.422 225 3HD1 LEU 23 3HD1 LEU 23 11.922 -1.112 -0.447 226 1HD2 LEU 23 1HD2 LEU 23 15.106 -3.279 -1.655 227 2HD2 LEU 23 2HD2 LEU 23 13.516 -3.159 -2.409 228 3HD2 LEU 23 3HD2 LEU 23 13.663 -3.735 -0.749 229 H LYS 24 H LYS 24 16.232 1.278 -0.256 230 HA LYS 24 HA LYS 24 18.173 0.944 -2.429 231 1HB LYS 24 2HB LYS 24 18.878 1.996 0.295 232 2HB LYS 24 1HB LYS 24 19.699 2.277 -1.226 233 1HG LYS 24 2HG LYS 24 18.517 4.111 -1.626 234 2HG LYS 24 1HG LYS 24 16.993 3.284 -1.302 235 1HD LYS 24 2HD LYS 24 16.882 4.056 0.812 236 2HD LYS 24 1HD LYS 24 18.615 3.861 1.079 237 1HE LYS 24 2HE LYS 24 18.308 5.927 -0.812 238 2HE LYS 24 1HE LYS 24 17.136 6.230 0.467 239 1HZ LYS 24 1HZ LYS 24 20.072 6.083 0.652 240 2HZ LYS 24 2HZ LYS 24 19.121 5.784 2.018 241 3HZ LYS 24 3HZ LYS 24 19.025 7.279 1.234 242 H PHE 25 H PHE 25 19.029 -0.909 -2.588 243 HA PHE 25 HA PHE 25 19.303 -2.550 -0.190 244 1HB PHE 25 2HB PHE 25 18.954 -4.424 -1.542 245 2HB PHE 25 1HB PHE 25 17.770 -3.256 -2.054 246 HD1 PHE 25 1HD PHE 25 21.123 -4.594 -2.943 247 HD2 PHE 25 2HD PHE 25 17.551 -2.716 -4.291 248 HE1 PHE 25 1HE PHE 25 21.876 -4.845 -5.271 249 HE2 PHE 25 2HE PHE 25 18.297 -2.962 -6.623 250 HZ PHE 25 HZ PHE 25 20.463 -4.028 -7.114 251 H ASP 26 H ASP 26 21.159 -3.336 0.432 252 HA ASP 26 HA ASP 26 23.512 -2.904 -1.302 253 1HB ASP 26 2HB ASP 26 24.791 -2.677 0.906 254 2HB ASP 26 1HB ASP 26 23.768 -1.326 0.429 255 H SER 27 H SER 27 22.643 -5.181 -1.864 256 HA SER 27 HA SER 27 24.502 -7.071 -0.993 257 1HB SER 27 2HB SER 27 22.260 -8.453 -0.020 258 2HB SER 27 1HB SER 27 23.621 -7.845 0.922 259 HG SER 27 HG SER 27 22.455 -6.172 1.562 260 H SER 28 H SER 28 23.910 -9.330 -1.775 261 HA SER 28 HA SER 28 22.371 -9.063 -4.268 262 1HB SER 28 2HB SER 28 24.978 -9.951 -3.858 263 2HB SER 28 1HB SER 28 24.053 -11.435 -4.096 264 HG SER 28 HG SER 28 23.150 -10.259 -5.994 265 H ARG 29 H ARG 29 21.067 -9.564 -1.791 266 HA ARG 29 HA ARG 29 20.227 -12.369 -2.111 267 1HB ARG 29 2HB ARG 29 21.160 -11.352 0.147 268 2HB ARG 29 1HB ARG 29 19.507 -10.771 0.306 269 1HG ARG 29 2HG ARG 29 18.645 -12.999 0.236 270 2HG ARG 29 1HG ARG 29 20.238 -13.653 -0.156 271 1HD ARG 29 2HD ARG 29 20.658 -12.209 2.171 272 2HD ARG 29 1HD ARG 29 19.087 -12.970 2.421 273 HE ARG 29 HE ARG 29 21.595 -14.250 2.512 274 1HH1 ARG 29 1HH1 ARG 29 18.345 -14.744 1.338 275 2HH1 ARG 29 2HH1 ARG 29 18.433 -16.471 1.452 276 1HH2 ARG 29 1HH2 ARG 29 21.711 -16.519 2.665 277 2HH2 ARG 29 2HH2 ARG 29 20.344 -17.478 2.206 278 H THR 30 H THR 30 17.962 -12.848 -1.931 279 HA THR 30 HA THR 30 16.332 -11.152 -3.457 280 HB THR 30 HB THR 30 15.359 -13.315 -1.590 281 HG1 THR 30 1HG THR 30 16.735 -14.449 -2.747 282 1HG2 THR 30 1HG2 THR 30 14.275 -12.252 -4.184 283 2HG2 THR 30 2HG2 THR 30 13.537 -12.129 -2.586 284 3HG2 THR 30 3HG2 THR 30 13.689 -13.703 -3.368 285 HA PRO 31 HA PRO 31 14.925 -8.072 -0.612 286 1HB PRO 31 2HB PRO 31 12.302 -8.421 -1.980 287 2HB PRO 31 1HB PRO 31 13.237 -6.948 -1.698 288 1HG PRO 31 2HG PRO 31 13.156 -8.061 -4.114 289 2HG PRO 31 1HG PRO 31 14.653 -7.343 -3.489 290 1HD PRO 31 2HD PRO 31 13.887 -10.218 -3.741 291 2HD PRO 31 1HD PRO 31 15.471 -9.446 -3.958 292 H SER 32 H SER 32 14.101 -8.149 1.396 293 HA SER 32 HA SER 32 12.952 -10.550 2.405 294 1HB SER 32 2HB SER 32 14.391 -8.631 3.545 295 2HB SER 32 1HB SER 32 12.801 -7.956 3.895 296 HG SER 32 HG SER 32 13.580 -9.353 5.562 297 H ARG 33 H ARG 33 10.806 -10.800 3.341 298 HA ARG 33 HA ARG 33 8.773 -9.551 1.756 299 1HB ARG 33 2HB ARG 33 8.021 -11.035 4.223 300 2HB ARG 33 1HB ARG 33 7.312 -11.093 2.616 301 1HG ARG 33 2HG ARG 33 9.822 -12.452 3.563 302 2HG ARG 33 1HG ARG 33 8.311 -13.203 3.049 303 1HD ARG 33 2HD ARG 33 8.886 -13.120 0.894 304 2HD ARG 33 1HD ARG 33 9.439 -11.452 1.018 305 HE ARG 33 HE ARG 33 11.430 -12.801 2.212 306 1HH1 ARG 33 1HH1 ARG 33 9.802 -13.265 -0.840 307 2HH1 ARG 33 2HH1 ARG 33 11.186 -13.962 -1.614 308 1HH2 ARG 33 1HH2 ARG 33 13.249 -13.716 1.197 309 2HH2 ARG 33 2HH2 ARG 33 13.143 -14.217 -0.458 310 H GLU 34 H GLU 34 9.559 -9.459 5.207 311 HA GLU 34 HA GLU 34 7.608 -7.455 5.837 312 1HB GLU 34 2HB GLU 34 8.344 -9.149 7.460 313 2HB GLU 34 1HB GLU 34 9.961 -8.458 7.445 314 1HG GLU 34 2HG GLU 34 9.226 -6.471 8.484 315 2HG GLU 34 1HG GLU 34 7.530 -6.879 8.226 316 H GLU 35 H GLU 35 11.150 -7.422 5.500 317 HA GLU 35 HA GLU 35 11.566 -4.826 6.351 318 1HB GLU 35 2HB GLU 35 13.264 -6.658 5.797 319 2HB GLU 35 1HB GLU 35 13.177 -6.067 4.146 320 1HG GLU 35 2HG GLU 35 14.154 -4.042 4.675 321 2HG GLU 35 1HG GLU 35 13.744 -4.178 6.384 322 H ILE 36 H ILE 36 11.137 -5.853 2.909 323 HA ILE 36 HA ILE 36 11.140 -3.108 2.074 324 HB ILE 36 HB ILE 36 11.897 -4.741 0.476 325 1HG1 ILE 36 2HG1 ILE 36 9.237 -3.591 -0.393 326 2HG1 ILE 36 1HG1 ILE 36 10.772 -2.734 -0.409 327 1HG2 ILE 36 1HG2 ILE 36 9.988 -6.392 1.449 328 2HG2 ILE 36 2HG2 ILE 36 10.876 -6.665 -0.047 329 3HG2 ILE 36 3HG2 ILE 36 9.276 -5.922 -0.091 330 1HD1 ILE 36 1HD1 ILE 36 11.638 -4.247 -2.077 331 2HD1 ILE 36 2HD1 ILE 36 10.113 -3.551 -2.623 332 3HD1 ILE 36 3HD1 ILE 36 10.158 -5.203 -2.011 333 H LYS 37 H LYS 37 8.627 -5.574 2.129 334 HA LYS 37 HA LYS 37 6.469 -3.962 1.429 335 1HB LYS 37 2HB LYS 37 6.592 -6.520 1.634 336 2HB LYS 37 1HB LYS 37 6.179 -6.262 3.322 337 1HG LYS 37 2HG LYS 37 4.039 -5.746 2.860 338 2HG LYS 37 1HG LYS 37 4.453 -4.894 1.370 339 1HD LYS 37 2HD LYS 37 5.037 -7.339 0.554 340 2HD LYS 37 1HD LYS 37 3.894 -7.784 1.823 341 1HE LYS 37 2HE LYS 37 2.115 -6.836 0.742 342 2HE LYS 37 1HE LYS 37 3.113 -5.632 -0.072 343 1HZ LYS 37 1HZ LYS 37 2.428 -8.332 -0.890 344 2HZ LYS 37 2HZ LYS 37 4.023 -7.859 -1.194 345 3HZ LYS 37 3HZ LYS 37 2.738 -6.960 -1.832 346 H GLU 38 H GLU 38 7.395 -4.832 4.755 347 HA GLU 38 HA GLU 38 5.365 -3.159 5.776 348 1HB GLU 38 2HB GLU 38 5.924 -4.005 7.749 349 2HB GLU 38 1HB GLU 38 6.959 -5.075 6.827 350 1HG GLU 38 2HG GLU 38 8.872 -3.644 7.239 351 2HG GLU 38 1HG GLU 38 7.848 -2.480 8.072 352 H LEU 39 H LEU 39 8.921 -2.614 5.547 353 HA LEU 39 HA LEU 39 8.755 0.009 6.499 354 1HB LEU 39 2HB LEU 39 10.945 -0.152 6.416 355 2HB LEU 39 1HB LEU 39 10.785 -1.679 5.589 356 HG LEU 39 HG LEU 39 10.711 0.844 4.011 357 1HD1 LEU 39 1HD1 LEU 39 13.022 -0.247 5.491 358 2HD1 LEU 39 2HD1 LEU 39 12.679 1.404 4.975 359 3HD1 LEU 39 3HD1 LEU 39 13.303 0.229 3.816 360 1HD2 LEU 39 1HD2 LEU 39 12.095 -1.680 3.254 361 2HD2 LEU 39 2HD2 LEU 39 11.276 -0.500 2.233 362 3HD2 LEU 39 3HD2 LEU 39 10.336 -1.620 3.213 363 H ILE 40 H ILE 40 8.036 -1.257 3.312 364 HA ILE 40 HA ILE 40 8.015 1.356 2.120 365 HB ILE 40 HB ILE 40 7.138 0.423 0.133 366 1HG1 ILE 40 2HG1 ILE 40 6.778 -2.106 1.717 367 2HG1 ILE 40 1HG1 ILE 40 5.509 -1.125 0.999 368 1HG2 ILE 40 1HG2 ILE 40 9.299 0.002 -0.157 369 2HG2 ILE 40 2HG2 ILE 40 8.896 -1.680 0.166 370 3HG2 ILE 40 3HG2 ILE 40 9.485 -0.647 1.466 371 1HD1 ILE 40 1HD1 ILE 40 7.022 -1.660 -1.167 372 2HD1 ILE 40 2HD1 ILE 40 5.636 -2.624 -0.657 373 3HD1 ILE 40 3HD1 ILE 40 7.269 -3.124 -0.217 374 H ALA 41 H ALA 41 5.325 -0.882 3.024 375 HA ALA 41 HA ALA 41 3.295 0.986 2.381 376 1HB ALA 41 1HB ALA 41 2.165 -0.420 4.406 377 2HB ALA 41 2HB ALA 41 3.421 -1.522 3.858 378 3HB ALA 41 3HB ALA 41 2.203 -0.937 2.723 379 H LYS 42 H LYS 42 4.874 0.244 5.381 380 HA LYS 42 HA LYS 42 3.411 1.897 7.030 381 1HB LYS 42 2HB LYS 42 6.322 1.132 7.300 382 2HB LYS 42 1HB LYS 42 5.209 1.559 8.606 383 1HG LYS 42 2HG LYS 42 3.767 -0.381 7.854 384 2HG LYS 42 1HG LYS 42 5.106 -0.898 6.816 385 1HD LYS 42 2HD LYS 42 6.486 -1.311 8.712 386 2HD LYS 42 1HD LYS 42 5.370 -0.481 9.801 387 1HE LYS 42 2HE LYS 42 4.091 -2.648 8.319 388 2HE LYS 42 1HE LYS 42 5.442 -3.209 9.304 389 1HZ LYS 42 1HZ LYS 42 3.446 -3.284 10.593 390 2HZ LYS 42 2HZ LYS 42 3.082 -1.670 10.244 391 3HZ LYS 42 3HZ LYS 42 4.420 -2.045 11.209 392 H HIS 43 H HIS 43 6.395 2.553 5.235 393 HA HIS 43 HA HIS 43 6.563 5.325 5.846 394 1HB HIS 43 2HB HIS 43 7.454 3.694 3.473 395 2HB HIS 43 1HB HIS 43 7.726 5.410 3.597 396 HD1 HIS 43 1HD HIS 43 10.308 5.043 3.610 397 HD2 HIS 43 2HD HIS 43 8.304 3.300 6.806 398 HE1 HIS 43 1HE HIS 43 12.096 4.424 5.267 399 HE2 HIS 43 2HE HIS 43 10.851 3.449 7.229 400 H GLU 44 H GLU 44 5.151 3.427 3.289 401 HA GLU 44 HA GLU 44 4.237 5.292 1.553 402 1HB GLU 44 2HB GLU 44 3.045 2.664 2.323 403 2HB GLU 44 1HB GLU 44 2.427 3.647 1.012 404 1HG GLU 44 2HG GLU 44 4.318 3.334 -0.293 405 2HG GLU 44 1HG GLU 44 5.324 2.941 1.070 406 H GLY 45 H GLY 45 3.315 4.909 4.743 407 1HA GLY 45 2HA GLY 45 2.056 6.656 5.778 408 2HA GLY 45 1HA GLY 45 1.171 6.846 4.261 409 H VAL 46 H VAL 46 1.941 3.666 5.381 410 HA VAL 46 HA VAL 46 -0.722 3.237 6.494 411 HB VAL 46 HB VAL 46 -0.879 1.339 4.641 412 1HG1 VAL 46 1HG1 VAL 46 -1.784 3.790 3.446 413 2HG1 VAL 46 2HG1 VAL 46 -2.074 3.829 5.185 414 3HG1 VAL 46 3HG1 VAL 46 -2.727 2.514 4.212 415 1HG2 VAL 46 1HG2 VAL 46 0.841 1.609 3.190 416 2HG2 VAL 46 2HG2 VAL 46 1.118 3.282 3.658 417 3HG2 VAL 46 3HG2 VAL 46 -0.162 2.896 2.524 418 H ASP 47 H ASP 47 -1.189 0.892 6.954 419 HA ASP 47 HA ASP 47 1.009 -0.255 8.419 420 1HB ASP 47 2HB ASP 47 -1.640 -1.585 7.984 421 2HB ASP 47 1HB ASP 47 -0.570 -1.702 9.377 422 H LYS 48 H LYS 48 0.915 -2.864 8.342 423 HA LYS 48 HA LYS 48 2.190 -3.617 5.922 424 1HB LYS 48 2HB LYS 48 2.340 -5.850 6.964 425 2HB LYS 48 1HB LYS 48 2.897 -4.569 8.029 426 1HG LYS 48 2HG LYS 48 0.075 -5.141 8.381 427 2HG LYS 48 1HG LYS 48 1.091 -6.558 8.650 428 1HD LYS 48 2HD LYS 48 2.365 -5.423 10.317 429 2HD LYS 48 1HD LYS 48 1.612 -3.877 9.923 430 1HE LYS 48 2HE LYS 48 0.732 -4.944 11.998 431 2HE LYS 48 1HE LYS 48 -0.497 -4.604 10.779 432 1HZ LYS 48 1HZ LYS 48 0.754 -7.241 11.334 433 2HZ LYS 48 2HZ LYS 48 -0.343 -6.941 10.081 434 3HZ LYS 48 3HZ LYS 48 -0.836 -6.785 11.690 435 H GLU 49 H GLU 49 -1.031 -4.014 7.174 436 HA GLU 49 HA GLU 49 -1.880 -6.082 5.421 437 1HB GLU 49 2HB GLU 49 -3.238 -4.023 7.105 438 2HB GLU 49 1HB GLU 49 -4.194 -4.866 5.896 439 1HG GLU 49 2HG GLU 49 -4.272 -5.835 8.185 440 2HG GLU 49 1HG GLU 49 -3.787 -6.958 6.916 441 H LEU 50 H LEU 50 -1.977 -2.617 5.272 442 HA LEU 50 HA LEU 50 -3.253 -2.329 2.806 443 1HB LEU 50 2HB LEU 50 -1.642 -0.154 3.917 444 2HB LEU 50 1HB LEU 50 -3.287 -0.125 3.340 445 HG LEU 50 HG LEU 50 -2.233 -0.727 6.072 446 1HD1 LEU 50 1HD1 LEU 50 -2.935 1.408 6.129 447 2HD1 LEU 50 2HD1 LEU 50 -4.505 0.652 6.400 448 3HD1 LEU 50 3HD1 LEU 50 -4.053 1.193 4.783 449 1HD2 LEU 50 1HD2 LEU 50 -4.971 -1.274 6.180 450 2HD2 LEU 50 2HD2 LEU 50 -3.643 -2.404 6.422 451 3HD2 LEU 50 3HD2 LEU 50 -4.358 -2.222 4.826 452 H VAL 51 H VAL 51 -0.433 -3.807 2.886 453 HA VAL 51 HA VAL 51 0.900 -1.883 1.112 454 HB VAL 51 HB VAL 51 2.225 -4.471 1.604 455 1HG1 VAL 51 1HG1 VAL 51 3.929 -2.432 2.240 456 2HG1 VAL 51 2HG1 VAL 51 2.879 -1.689 1.041 457 3HG1 VAL 51 3HG1 VAL 51 3.757 -3.167 0.651 458 1HG2 VAL 51 1HG2 VAL 51 1.770 -4.443 3.806 459 2HG2 VAL 51 2HG2 VAL 51 1.309 -2.744 3.813 460 3HG2 VAL 51 3HG2 VAL 51 3.011 -3.201 3.854 461 H ILE 52 H ILE 52 0.501 -1.941 -0.913 462 HA ILE 52 HA ILE 52 0.580 -4.472 -2.372 463 HB ILE 52 HB ILE 52 -1.776 -3.923 -2.307 464 1HG1 ILE 52 2HG1 ILE 52 -0.757 -4.756 -4.451 465 2HG1 ILE 52 1HG1 ILE 52 -2.296 -3.920 -4.610 466 1HG2 ILE 52 1HG2 ILE 52 -1.123 -1.255 -3.490 467 2HG2 ILE 52 2HG2 ILE 52 -1.516 -1.533 -1.797 468 3HG2 ILE 52 3HG2 ILE 52 -2.714 -1.862 -3.047 469 1HD1 ILE 52 1HD1 ILE 52 -1.232 -2.893 -6.300 470 2HD1 ILE 52 2HD1 ILE 52 0.366 -3.194 -5.621 471 3HD1 ILE 52 3HD1 ILE 52 -0.617 -1.864 -5.007 472 H VAL 53 H VAL 53 2.601 -4.177 -3.392 473 HA VAL 53 HA VAL 53 2.902 -1.556 -4.718 474 HB VAL 53 HB VAL 53 5.295 -1.581 -4.229 475 1HG1 VAL 53 1HG1 VAL 53 3.694 -1.946 -1.690 476 2HG1 VAL 53 2HG1 VAL 53 3.651 -0.488 -2.684 477 3HG1 VAL 53 3HG1 VAL 53 5.154 -0.979 -1.904 478 1HG2 VAL 53 1HG2 VAL 53 5.762 -3.911 -4.080 479 2HG2 VAL 53 2HG2 VAL 53 4.644 -4.106 -2.731 480 3HG2 VAL 53 3HG2 VAL 53 6.134 -3.192 -2.516 481 H ASP 54 H ASP 54 2.886 -1.750 -6.791 482 HA ASP 54 HA ASP 54 4.276 -4.005 -8.084 483 1HB ASP 54 2HB ASP 54 1.708 -2.617 -8.744 484 2HB ASP 54 1HB ASP 54 2.672 -3.295 -10.052 485 H ASN 55 H ASN 55 5.331 -3.573 -10.087 486 HA ASN 55 HA ASN 55 6.593 -2.384 -11.553 487 1HB ASN 55 2HB ASN 55 4.458 -0.598 -10.907 488 2HB ASN 55 1HB ASN 55 5.949 0.333 -11.016 489 1HD2 ASN 55 1HD2 ASN 55 3.390 -0.687 -12.727 490 2HD2 ASN 55 2HD2 ASN 55 4.069 -0.707 -14.315 491 H ASN 56 H ASN 56 8.542 -1.418 -11.615 492 HA ASN 56 HA ASN 56 9.619 -0.107 -9.227 493 1HB ASN 56 2HB ASN 56 11.723 -1.570 -9.565 494 2HB ASN 56 1HB ASN 56 10.344 -2.269 -8.723 495 1HD2 ASN 56 1HD2 ASN 56 9.238 -3.946 -9.638 496 2HD2 ASN 56 2HD2 ASN 56 9.757 -4.755 -11.073 497 H LYS 57 H LYS 57 9.548 1.807 -10.669 498 HA LYS 57 HA LYS 57 11.202 1.771 -13.041 499 1HB LYS 57 2HB LYS 57 10.905 4.330 -12.865 500 2HB LYS 57 1HB LYS 57 9.458 3.378 -13.166 501 1HG LYS 57 2HG LYS 57 8.551 3.860 -11.151 502 2HG LYS 57 1HG LYS 57 10.115 3.950 -10.342 503 1HD LYS 57 2HD LYS 57 10.281 6.102 -11.968 504 2HD LYS 57 1HD LYS 57 8.540 6.055 -11.683 505 1HE LYS 57 2HE LYS 57 8.764 6.782 -9.551 506 2HE LYS 57 1HE LYS 57 10.095 5.656 -9.247 507 1HZ LYS 57 1HZ LYS 57 11.647 7.169 -10.148 508 2HZ LYS 57 2HZ LYS 57 10.669 8.068 -9.103 509 3HZ LYS 57 3HZ LYS 57 10.437 8.172 -10.774 510 H GLN 58 H GLN 58 13.346 1.613 -12.823 511 HA GLN 58 HA GLN 58 14.554 2.869 -10.460 512 1HB GLN 58 2HB GLN 58 14.711 0.374 -10.723 513 2HB GLN 58 1HB GLN 58 15.738 0.651 -12.121 514 1HG GLN 58 2HG GLN 58 16.729 2.169 -9.923 515 2HG GLN 58 1HG GLN 58 16.466 0.503 -9.409 516 1HE2 GLN 58 1HE2 GLN 58 17.860 2.349 -12.102 517 2HE2 GLN 58 2HE2 GLN 58 19.203 1.292 -12.355 518 H LEU 59 H LEU 59 16.035 4.351 -10.619 519 HA LEU 59 HA LEU 59 16.897 5.231 -13.268 520 1HB LEU 59 2HB LEU 59 17.396 6.702 -10.688 521 2HB LEU 59 1HB LEU 59 17.338 7.347 -12.317 522 HG LEU 59 HG LEU 59 15.368 8.148 -11.428 523 1HD1 LEU 59 1HD1 LEU 59 15.103 6.445 -13.443 524 2HD1 LEU 59 2HD1 LEU 59 13.720 7.252 -12.706 525 3HD1 LEU 59 3HD1 LEU 59 14.114 5.594 -12.258 526 1HD2 LEU 59 1HD2 LEU 59 15.678 5.995 -9.583 527 2HD2 LEU 59 2HD2 LEU 59 14.027 5.984 -10.206 528 3HD2 LEU 59 3HD2 LEU 59 14.676 7.438 -9.447 529 H THR 60 H THR 60 18.723 4.339 -13.872 530 HA THR 60 HA THR 60 20.419 2.932 -12.183 531 HB THR 60 HB THR 60 21.953 2.863 -14.127 532 HG1 THR 60 1HG THR 60 19.956 4.414 -15.411 533 1HG2 THR 60 1HG2 THR 60 20.120 1.952 -15.692 534 2HG2 THR 60 2HG2 THR 60 19.058 2.261 -14.317 535 3HG2 THR 60 3HG2 THR 60 20.431 1.166 -14.143 536 H GLY 61 H GLY 61 22.858 3.269 -12.393 537 1HA GLY 61 2HA GLY 61 24.648 4.859 -12.260 538 2HA GLY 61 1HA GLY 61 23.491 6.025 -11.626 539 H LYS 62 H LYS 62 22.339 3.663 -10.050 540 HA LYS 62 HA LYS 62 24.392 3.458 -7.961 541 1HB LYS 62 2HB LYS 62 21.463 3.961 -7.411 542 2HB LYS 62 1HB LYS 62 22.770 3.910 -6.238 543 1HG LYS 62 2HG LYS 62 23.361 6.033 -6.615 544 2HG LYS 62 1HG LYS 62 23.140 5.890 -8.360 545 1HD LYS 62 2HD LYS 62 21.499 7.420 -7.712 546 2HD LYS 62 1HD LYS 62 20.625 5.893 -7.841 547 1HE LYS 62 2HE LYS 62 20.527 5.627 -5.512 548 2HE LYS 62 1HE LYS 62 21.788 6.828 -5.236 549 1HZ LYS 62 1HZ LYS 62 18.942 7.200 -5.734 550 2HZ LYS 62 2HZ LYS 62 19.983 8.336 -6.431 551 3HZ LYS 62 3HZ LYS 62 19.997 8.094 -4.757 552 H HIS 63 H HIS 63 21.848 2.138 -6.513 553 HA HIS 63 HA HIS 63 21.560 -0.304 -8.019 554 1HB HIS 63 2HB HIS 63 22.831 -0.539 -5.297 555 2HB HIS 63 1HB HIS 63 22.629 -1.793 -6.515 556 HD1 HIS 63 1HD HIS 63 24.442 -2.023 -8.273 557 HD2 HIS 63 2HD HIS 63 24.947 1.302 -5.832 558 HE1 HIS 63 1HE HIS 63 26.738 -1.145 -8.800 559 HE2 HIS 63 2HE HIS 63 26.988 0.916 -7.375 560 H GLU 64 H GLU 64 19.809 1.753 -6.921 561 HA GLU 64 HA GLU 64 18.188 0.078 -5.168 562 1HB GLU 64 2HB GLU 64 18.443 3.082 -4.996 563 2HB GLU 64 1HB GLU 64 17.618 2.012 -3.865 564 1HG GLU 64 2HG GLU 64 19.553 1.359 -2.857 565 2HG GLU 64 1HG GLU 64 20.478 1.439 -4.337 566 H ILE 65 H ILE 65 15.849 0.481 -5.424 567 HA ILE 65 HA ILE 65 15.323 1.396 -8.174 568 HB ILE 65 HB ILE 65 13.590 -0.159 -8.378 569 1HG1 ILE 65 2HG1 ILE 65 13.105 -1.621 -6.210 570 2HG1 ILE 65 1HG1 ILE 65 13.582 -0.121 -5.420 571 1HG2 ILE 65 1HG2 ILE 65 14.688 -2.125 -8.340 572 2HG2 ILE 65 2HG2 ILE 65 15.277 -1.890 -6.694 573 3HG2 ILE 65 3HG2 ILE 65 16.051 -1.047 -8.037 574 1HD1 ILE 65 1HD1 ILE 65 11.469 0.505 -5.668 575 2HD1 ILE 65 2HD1 ILE 65 11.135 -0.797 -6.811 576 3HD1 ILE 65 3HD1 ILE 65 11.845 0.715 -7.378 577 H GLU 66 H GLU 66 13.538 2.478 -8.702 578 HA GLU 66 HA GLU 66 12.077 3.861 -6.551 579 1HB GLU 66 2HB GLU 66 13.659 4.976 -8.556 580 2HB GLU 66 1HB GLU 66 12.049 5.075 -9.236 581 1HG GLU 66 2HG GLU 66 13.247 6.534 -6.963 582 2HG GLU 66 1HG GLU 66 12.166 7.094 -8.227 583 H GLY 67 H GLY 67 9.810 4.404 -7.261 584 1HA GLY 67 2HA GLY 67 8.637 3.264 -9.521 585 2HA GLY 67 1HA GLY 67 8.577 2.072 -8.248 586 H TYR 68 H TYR 68 6.320 2.233 -8.553 587 HA TYR 68 HA TYR 68 5.211 4.482 -7.026 588 1HB TYR 68 2HB TYR 68 4.467 3.465 -9.648 589 2HB TYR 68 1HB TYR 68 3.119 3.348 -8.522 590 HD1 TYR 68 1HD TYR 68 5.716 5.803 -9.618 591 HD2 TYR 68 2HD TYR 68 1.720 5.170 -8.303 592 HE1 TYR 68 1HE TYR 68 5.231 8.189 -9.964 593 HE2 TYR 68 2HE TYR 68 1.223 7.553 -8.645 594 HH TYR 68 HH TYR 68 2.255 9.637 -8.894 595 H THR 69 H THR 69 4.078 3.923 -5.332 596 HA THR 69 HA THR 69 3.588 1.070 -4.918 597 HB THR 69 HB THR 69 3.894 2.068 -2.377 598 HG1 THR 69 1HG THR 69 5.751 3.450 -4.015 599 1HG2 THR 69 1HG2 THR 69 5.791 0.826 -2.290 600 2HG2 THR 69 2HG2 THR 69 6.383 1.439 -3.830 601 3HG2 THR 69 3HG2 THR 69 5.133 0.214 -3.804 602 H LYS 70 H LYS 70 1.691 0.459 -4.059 603 HA LYS 70 HA LYS 70 -0.306 2.578 -3.610 604 1HB LYS 70 2HB LYS 70 -0.288 0.866 -5.692 605 2HB LYS 70 1HB LYS 70 -1.265 -0.031 -4.563 606 1HG LYS 70 2HG LYS 70 -1.851 2.839 -5.173 607 2HG LYS 70 1HG LYS 70 -2.434 1.543 -6.220 608 1HD LYS 70 2HD LYS 70 -3.114 0.650 -3.711 609 2HD LYS 70 1HD LYS 70 -3.368 2.393 -3.588 610 1HE LYS 70 2HE LYS 70 -4.800 2.339 -5.554 611 2HE LYS 70 1HE LYS 70 -4.514 0.608 -5.733 612 1HZ LYS 70 1HZ LYS 70 -5.577 1.577 -3.182 613 2HZ LYS 70 2HZ LYS 70 -5.856 0.112 -3.979 614 3HZ LYS 70 3HZ LYS 70 -6.628 1.521 -4.509 615 H ILE 71 H ILE 71 -1.759 2.231 -1.967 616 HA ILE 71 HA ILE 71 -1.311 -0.210 -0.418 617 HB ILE 71 HB ILE 71 -1.157 2.585 0.579 618 1HG1 ILE 71 2HG1 ILE 71 0.982 1.478 1.572 619 2HG1 ILE 71 1HG1 ILE 71 0.674 0.222 0.390 620 1HG2 ILE 71 1HG2 ILE 71 -1.964 2.041 2.523 621 2HG2 ILE 71 2HG2 ILE 71 -0.799 0.733 2.671 622 3HG2 ILE 71 3HG2 ILE 71 -2.359 0.449 1.914 623 1HD1 ILE 71 1HD1 ILE 71 0.534 2.397 -1.185 624 2HD1 ILE 71 2HD1 ILE 71 2.015 1.503 -0.888 625 3HD1 ILE 71 3HD1 ILE 71 1.667 2.963 0.023 626 H TYR 72 H TYR 72 -2.916 -1.030 0.709 627 HA TYR 72 HA TYR 72 -5.531 0.310 0.434 628 1HB TYR 72 2HB TYR 72 -6.574 -1.932 0.261 629 2HB TYR 72 1HB TYR 72 -5.537 -1.507 -1.090 630 HD1 TYR 72 1HD TYR 72 -2.973 -2.317 -0.701 631 HD2 TYR 72 2HD TYR 72 -6.435 -4.084 1.022 632 HE1 TYR 72 1HE TYR 72 -1.751 -4.430 -0.419 633 HE2 TYR 72 2HE TYR 72 -5.218 -6.200 1.310 634 HH TYR 72 HH TYR 72 -1.863 -6.448 1.004 635 H ALA 73 H ALA 73 -6.453 0.856 2.243 636 HA ALA 73 HA ALA 73 -5.732 -0.372 4.775 637 1HB ALA 73 1HB ALA 73 -7.436 2.048 4.200 638 2HB ALA 73 2HB ALA 73 -5.756 2.055 4.740 639 3HB ALA 73 3HB ALA 73 -7.024 1.450 5.805 640 H ASP 74 H ASP 74 -8.000 -0.785 2.372 641 HA ASP 74 HA ASP 74 -10.306 -1.287 3.969 642 1HB ASP 74 2HB ASP 74 -11.319 -2.095 1.911 643 2HB ASP 74 1HB ASP 74 -10.409 -0.619 1.546 644 H LYS 75 H LYS 75 -7.452 -3.021 3.453 645 HA LYS 75 HA LYS 75 -8.413 -5.678 3.459 646 1HB LYS 75 2HB LYS 75 -6.067 -4.853 2.876 647 2HB LYS 75 1HB LYS 75 -5.764 -4.845 4.604 648 1HG LYS 75 2HG LYS 75 -6.738 -7.313 4.377 649 2HG LYS 75 1HG LYS 75 -6.091 -7.121 2.748 650 1HD LYS 75 2HD LYS 75 -4.084 -6.134 4.378 651 2HD LYS 75 1HD LYS 75 -4.704 -7.525 5.268 652 1HE LYS 75 2HE LYS 75 -4.566 -8.527 2.747 653 2HE LYS 75 1HE LYS 75 -3.203 -7.406 2.744 654 1HZ LYS 75 1HZ LYS 75 -2.457 -8.500 4.834 655 2HZ LYS 75 2HZ LYS 75 -2.422 -9.511 3.478 656 3HZ LYS 75 3HZ LYS 75 -3.666 -9.661 4.615 657 HA PRO 76 HA PRO 76 -7.356 -5.583 8.270 658 1HB PRO 76 2HB PRO 76 -7.987 -3.038 9.276 659 2HB PRO 76 1HB PRO 76 -6.372 -3.732 9.119 660 1HG PRO 76 2HG PRO 76 -7.804 -1.835 7.333 661 2HG PRO 76 1HG PRO 76 -6.076 -1.940 7.710 662 1HD PRO 76 2HD PRO 76 -7.045 -2.794 5.366 663 2HD PRO 76 1HD PRO 76 -5.716 -3.645 6.177 664 H SER 77 H SER 77 -9.808 -3.545 6.769 665 HA SER 77 HA SER 77 -11.804 -4.130 8.745 666 1HB SER 77 2HB SER 77 -13.263 -3.239 6.664 667 2HB SER 77 1HB SER 77 -12.386 -2.157 7.745 668 HG SER 77 HG SER 77 -12.076 -1.944 5.355 669 H ALA 78 H ALA 78 -11.047 -5.261 5.484 670 HA ALA 78 HA ALA 78 -13.257 -7.048 5.310 671 1HB ALA 78 1HB ALA 78 -11.577 -5.998 3.491 672 2HB ALA 78 2HB ALA 78 -12.572 -7.426 3.198 673 3HB ALA 78 3HB ALA 78 -10.882 -7.609 3.663 674 H MET 79 H MET 79 -9.866 -7.416 6.275 675 HA MET 79 HA MET 79 -9.957 -10.254 6.430 676 1HB MET 79 2HB MET 79 -7.911 -8.670 6.263 677 2HB MET 79 1HB MET 79 -8.050 -8.558 8.011 678 1HG MET 79 2HG MET 79 -6.561 -10.264 7.838 679 2HG MET 79 1HG MET 79 -8.070 -11.176 7.858 680 1HE MET 79 1HE MET 79 -9.051 -11.652 4.502 681 2HE MET 79 2HE MET 79 -9.200 -12.095 6.202 682 3HE MET 79 3HE MET 79 -8.304 -13.134 5.096 683 H LEU 80 H LEU 80 -10.220 -7.695 8.889 684 HA LEU 80 HA LEU 80 -10.585 -9.579 11.019 685 1HB LEU 80 2HB LEU 80 -9.653 -7.123 11.033 686 2HB LEU 80 1HB LEU 80 -11.338 -6.706 11.272 687 HG LEU 80 HG LEU 80 -10.072 -6.853 13.388 688 1HD1 LEU 80 1HD1 LEU 80 -11.828 -7.715 14.549 689 2HD1 LEU 80 2HD1 LEU 80 -11.971 -9.130 13.505 690 3HD1 LEU 80 3HD1 LEU 80 -12.587 -7.569 12.963 691 1HD2 LEU 80 1HD2 LEU 80 -8.901 -8.667 14.049 692 2HD2 LEU 80 2HD2 LEU 80 -8.804 -8.965 12.314 693 3HD2 LEU 80 3HD2 LEU 80 -10.014 -9.802 13.286 694 H TYR 81 H TYR 81 -12.753 -7.473 9.153 695 HA TYR 81 HA TYR 81 -15.024 -8.584 10.636 696 1HB TYR 81 2HB TYR 81 -14.939 -6.244 8.726 697 2HB TYR 81 1HB TYR 81 -16.348 -6.775 9.636 698 HD1 TYR 81 1HD TYR 81 -12.813 -5.698 10.193 699 HD2 TYR 81 2HD TYR 81 -16.806 -5.761 11.660 700 HE1 TYR 81 1HE TYR 81 -12.140 -4.261 12.071 701 HE2 TYR 81 2HE TYR 81 -16.145 -4.323 13.542 702 HH TYR 81 HH TYR 81 -14.089 -3.755 14.789 703 H GLU 82 H GLU 82 -13.362 -9.514 8.018 704 HA GLU 82 HA GLU 82 -13.832 -10.919 6.284 705 1HB GLU 82 2HB GLU 82 -16.117 -11.213 8.082 706 2HB GLU 82 1HB GLU 82 -16.534 -11.530 6.404 707 1HG GLU 82 2HG GLU 82 -15.479 -13.484 6.406 708 2HG GLU 82 1HG GLU 82 -14.051 -12.807 7.185 709 HA PRO 83 HA PRO 83 -15.402 -8.781 2.763 710 1HB PRO 83 2HB PRO 83 -17.600 -10.384 1.977 711 2HB PRO 83 1HB PRO 83 -15.947 -10.466 1.364 712 1HG PRO 83 2HG PRO 83 -17.284 -12.124 3.436 713 2HG PRO 83 1HG PRO 83 -16.010 -12.567 2.286 714 1HD PRO 83 2HD PRO 83 -15.467 -12.194 4.873 715 2HD PRO 83 1HD PRO 83 -14.327 -11.675 3.616 716 H ASP 84 H ASP 84 -17.711 -9.726 5.210 717 HA ASP 84 HA ASP 84 -19.694 -7.804 4.332 718 1HB ASP 84 2HB ASP 84 -20.927 -8.562 6.378 719 2HB ASP 84 1HB ASP 84 -20.536 -9.858 5.250 720 H TYR 85 H TYR 85 -16.862 -7.197 5.531 721 HA TYR 85 HA TYR 85 -16.927 -5.964 7.946 722 1HB TYR 85 2HB TYR 85 -15.164 -4.468 7.119 723 2HB TYR 85 1HB TYR 85 -14.914 -6.122 6.571 724 HD1 TYR 85 1HD TYR 85 -15.874 -2.726 5.542 725 HD2 TYR 85 2HD TYR 85 -15.044 -6.688 4.235 726 HE1 TYR 85 1HE TYR 85 -15.746 -1.927 3.218 727 HE2 TYR 85 2HE TYR 85 -14.914 -5.901 1.909 728 HH TYR 85 HH TYR 85 -15.698 -4.047 0.545 729 H GLU 86 H GLU 86 -17.117 -3.741 8.611 730 HA GLU 86 HA GLU 86 -18.292 -1.702 7.109 731 1HB GLU 86 2HB GLU 86 -20.258 -3.167 7.037 732 2HB GLU 86 1HB GLU 86 -20.261 -3.263 8.793 733 1HG GLU 86 2HG GLU 86 -21.449 -1.405 8.957 734 2HG GLU 86 1HG GLU 86 -20.297 -0.519 7.956 735 H LEU 87 H LEU 87 -16.523 -0.821 8.381 736 HA LEU 87 HA LEU 87 -16.696 -0.659 11.222 737 1HB LEU 87 2HB LEU 87 -15.131 1.233 9.492 738 2HB LEU 87 1HB LEU 87 -14.774 0.699 11.123 739 HG LEU 87 HG LEU 87 -14.570 -0.981 8.623 740 1HD1 LEU 87 1HD1 LEU 87 -12.112 -0.980 9.632 741 2HD1 LEU 87 2HD1 LEU 87 -12.642 0.591 10.230 742 3HD1 LEU 87 3HD1 LEU 87 -12.668 0.252 8.499 743 1HD2 LEU 87 1HD2 LEU 87 -13.417 -1.924 11.160 744 2HD2 LEU 87 2HD2 LEU 87 -14.229 -2.820 9.876 745 3HD2 LEU 87 3HD2 LEU 87 -15.178 -1.938 11.074 746 H ILE 88 H ILE 88 -17.788 1.334 8.567 747 HA ILE 88 HA ILE 88 -18.891 3.338 8.472 748 HB ILE 88 HB ILE 88 -20.620 1.729 9.316 749 1HG1 ILE 88 2HG1 ILE 88 -21.359 4.312 10.555 750 2HG1 ILE 88 1HG1 ILE 88 -20.788 4.399 8.892 751 1HG2 ILE 88 1HG2 ILE 88 -19.859 1.213 11.498 752 2HG2 ILE 88 2HG2 ILE 88 -21.361 2.115 11.698 753 3HG2 ILE 88 3HG2 ILE 88 -19.812 2.913 11.963 754 1HD1 ILE 88 1HD1 ILE 88 -23.138 4.212 8.810 755 2HD1 ILE 88 2HD1 ILE 88 -23.144 2.872 9.955 756 3HD1 ILE 88 3HD1 ILE 88 -22.493 2.643 8.331 757 H ARG 89 H ARG 89 -16.429 3.341 10.118 758 HA ARG 89 HA ARG 89 -16.881 4.945 12.413 759 1HB ARG 89 2HB ARG 89 -14.545 3.946 10.916 760 2HB ARG 89 1HB ARG 89 -14.283 5.459 11.776 761 1HG ARG 89 2HG ARG 89 -15.567 3.201 13.226 762 2HG ARG 89 1HG ARG 89 -13.829 3.144 12.919 763 1HD ARG 89 2HD ARG 89 -14.050 5.661 13.830 764 2HD ARG 89 1HD ARG 89 -15.394 4.916 14.692 765 HE ARG 89 HE ARG 89 -12.956 3.417 14.882 766 1HH1 ARG 89 1HH1 ARG 89 -14.781 6.063 16.240 767 2HH1 ARG 89 2HH1 ARG 89 -14.015 5.961 17.789 768 1HH2 ARG 89 1HH2 ARG 89 -11.949 3.281 16.919 769 2HH2 ARG 89 2HH2 ARG 89 -12.406 4.382 18.174 770 H ASN 90 H ASN 90 -15.380 7.090 12.450 771 HA ASN 90 HA ASN 90 -15.888 8.715 10.083 772 1HB ASN 90 2HB ASN 90 -17.743 8.755 12.078 773 2HB ASN 90 1HB ASN 90 -16.669 10.053 12.593 774 1HD2 ASN 90 1HD2 ASN 90 -16.918 11.981 11.701 775 2HD2 ASN 90 2HD2 ASN 90 -17.866 12.326 10.298 776 H GLY 91 H GLY 91 -15.165 11.144 10.821 777 1HA GLY 91 2HA GLY 91 -12.515 10.790 12.083 778 2HA GLY 91 1HA GLY 91 -12.781 11.829 10.691 779 H LEU 92 H LEU 92 -11.758 12.360 13.455 780 HA LEU 92 HA LEU 92 -13.668 14.494 14.154 781 1HB LEU 92 2HB LEU 92 -12.867 14.303 16.479 782 2HB LEU 92 1HB LEU 92 -13.662 12.848 15.910 783 HG LEU 92 HG LEU 92 -11.170 12.122 15.359 784 1HD1 LEU 92 1HD1 LEU 92 -9.836 13.863 15.978 785 2HD1 LEU 92 2HD1 LEU 92 -9.884 12.975 17.499 786 3HD1 LEU 92 3HD1 LEU 92 -10.921 14.383 17.268 787 1HD2 LEU 92 1HD2 LEU 92 -12.797 11.949 17.837 788 2HD2 LEU 92 2HD2 LEU 92 -11.133 11.368 17.897 789 3HD2 LEU 92 3HD2 LEU 92 -12.267 10.675 16.738 790 H LYS 93 H LYS 93 -11.438 14.600 12.282 791 HA LYS 93 HA LYS 93 -9.987 16.814 13.535 792 1HB LYS 93 2HB LYS 93 -8.637 14.638 13.578 793 2HB LYS 93 1HB LYS 93 -8.547 14.791 11.828 794 1HG LYS 93 2HG LYS 93 -7.338 16.831 11.989 795 2HG LYS 93 1HG LYS 93 -7.619 16.928 13.728 796 1HD LYS 93 2HD LYS 93 -5.402 16.157 13.477 797 2HD LYS 93 1HD LYS 93 -6.356 14.738 13.912 798 1HE LYS 93 2HE LYS 93 -4.832 14.170 12.128 799 2HE LYS 93 1HE LYS 93 -6.488 14.130 11.526 800 1HZ LYS 93 1HZ LYS 93 -5.918 15.574 9.968 801 2HZ LYS 93 2HZ LYS 93 -4.330 15.616 10.547 802 3HZ LYS 93 3HZ LYS 93 -5.472 16.711 11.139 803 H GLN 94 H GLN 94 -12.161 16.905 11.745 804 HA GLN 94 HA GLN 94 -10.953 17.639 9.179 805 1HB GLN 94 2HB GLN 94 -13.158 16.180 9.615 806 2HB GLN 94 1HB GLN 94 -13.892 17.775 9.575 807 1HG GLN 94 2HG GLN 94 -12.573 18.063 7.370 808 2HG GLN 94 1HG GLN 94 -12.456 16.305 7.410 809 1HE2 GLN 94 1HE2 GLN 94 -14.254 15.076 7.027 810 2HE2 GLN 94 2HE2 GLN 94 -15.751 15.733 6.467 811 H LYS 95 H LYS 95 -10.030 19.481 10.580 812 HA LYS 95 HA LYS 95 -9.903 21.728 10.917 813 1HB LYS 95 2HB LYS 95 -10.839 21.819 8.612 814 2HB LYS 95 1HB LYS 95 -12.453 21.872 9.302 815 1HG LYS 95 2HG LYS 95 -11.042 23.922 10.569 816 2HG LYS 95 1HG LYS 95 -10.573 24.001 8.871 817 1HD LYS 95 2HD LYS 95 -12.512 25.394 9.233 818 2HD LYS 95 1HD LYS 95 -12.963 24.003 8.244 819 1HE LYS 95 2HE LYS 95 -13.768 22.886 10.338 820 2HE LYS 95 1HE LYS 95 -13.485 24.405 11.186 821 1HZ LYS 95 1HZ LYS 95 -15.106 24.540 8.770 822 2HZ LYS 95 2HZ LYS 95 -15.269 25.377 10.231 823 3HZ LYS 95 3HZ LYS 95 -15.811 23.779 10.106 824 H GLU 96 H GLU 96 -11.827 19.825 12.493 825 HA GLU 96 HA GLU 96 -13.482 21.883 13.764 826 1HB GLU 96 2HB GLU 96 -13.621 19.057 14.663 827 2HB GLU 96 1HB GLU 96 -14.907 20.236 14.473 828 1HG GLU 96 2HG GLU 96 -13.531 19.004 12.112 829 2HG GLU 96 1HG GLU 96 -14.890 18.224 12.918 830 H ALA 97 H ALA 97 -11.586 19.084 14.876 831 HA ALA 97 HA ALA 97 -11.192 20.140 17.478 832 1HB ALA 97 1HB ALA 97 -9.817 18.233 17.870 833 2HB ALA 97 2HB ALA 97 -9.568 17.984 16.142 834 3HB ALA 97 3HB ALA 97 -11.161 17.714 16.851 835 H LYS 98 H LYS 98 -10.449 22.299 16.585 836 HA LYS 98 HA LYS 98 -7.542 22.277 16.108 837 1HB LYS 98 2HB LYS 98 -8.868 23.261 14.277 838 2HB LYS 98 1HB LYS 98 -9.560 24.417 15.407 839 1HG LYS 98 2HG LYS 98 -6.888 24.809 15.780 840 2HG LYS 98 1HG LYS 98 -6.966 24.420 14.061 841 1HD LYS 98 2HD LYS 98 -8.914 26.129 14.014 842 2HD LYS 98 1HD LYS 98 -8.245 26.684 15.549 843 1HE LYS 98 2HE LYS 98 -7.157 28.048 14.041 844 2HE LYS 98 1HE LYS 98 -5.997 26.738 14.243 845 1HZ LYS 98 1HZ LYS 98 -7.604 27.451 11.927 846 2HZ LYS 98 2HZ LYS 98 -7.415 25.796 12.217 847 3HZ LYS 98 3HZ LYS 98 -6.054 26.777 12.005
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