NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11338 | 1rdu | 5560 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 11.978 -1.528 13.437 2 HA MET 1 HA MET 1 12.471 -0.974 10.574 3 1HB MET 1 1HB MET 1 13.316 -3.395 12.221 4 2HB MET 1 2HB MET 1 13.199 -3.395 10.453 5 1HG MET 1 1HG MET 1 15.487 -2.899 10.982 6 2HG MET 1 2HG MET 1 14.730 -1.449 10.348 7 1HE MET 1 1HE MET 1 17.200 -0.471 11.237 8 2HE MET 1 2HE MET 1 15.773 0.573 11.056 9 3HE MET 1 3HE MET 1 16.791 0.738 12.487 10 H ALA 2 H ALA 2 11.116 -2.416 9.095 11 HA ALA 2 HA ALA 2 8.801 -3.702 10.185 12 1HB ALA 2 1HB ALA 2 8.524 -0.948 8.890 13 2HB ALA 2 2HB ALA 2 7.163 -1.980 9.369 14 3HB ALA 2 3HB ALA 2 8.204 -1.290 10.609 15 H ARG 3 H ARG 3 7.089 -3.738 8.287 16 HA ARG 3 HA ARG 3 8.332 -4.014 5.606 17 1HB ARG 3 1HB ARG 3 6.151 -5.630 6.996 18 2HB ARG 3 2HB ARG 3 6.119 -5.406 5.266 19 1HG ARG 3 1HG ARG 3 7.491 -7.219 5.148 20 2HG ARG 3 2HG ARG 3 8.712 -6.064 5.651 21 1HD ARG 3 1HD ARG 3 9.117 -7.305 7.361 22 2HD ARG 3 2HD ARG 3 7.566 -6.782 8.030 23 HE ARG 3 HE ARG 3 6.495 -8.738 6.981 24 1HH1 ARG 3 2HH2 ARG 3 10.053 -8.960 7.235 25 2HH1 ARG 3 1HH2 ARG 3 10.066 -10.642 7.590 26 1HH2 ARG 3 2HH1 ARG 3 6.527 -10.992 7.337 27 2HH2 ARG 3 1HH1 ARG 3 8.037 -11.845 7.433 28 H VAL 4 H VAL 4 7.775 -2.428 4.398 29 HA VAL 4 HA VAL 4 5.157 -1.027 4.793 30 HB VAL 4 HB VAL 4 7.646 0.021 4.580 31 1HG1 VAL 4 1HG1 VAL 4 8.200 0.770 2.331 32 2HG1 VAL 4 2HG1 VAL 4 7.938 -0.989 2.337 33 3HG1 VAL 4 3HG1 VAL 4 6.683 0.081 1.721 34 1HG2 VAL 4 1HG2 VAL 4 5.122 1.339 3.635 35 2HG2 VAL 4 2HG2 VAL 4 6.250 1.745 4.985 36 3HG2 VAL 4 3HG2 VAL 4 6.691 2.134 3.376 37 H ALA 5 H ALA 5 3.555 -1.202 3.146 38 HA ALA 5 HA ALA 5 4.303 -3.083 0.957 39 1HB ALA 5 1HB ALA 5 1.818 -3.311 0.658 40 2HB ALA 5 2HB ALA 5 2.418 -3.924 2.204 41 3HB ALA 5 3HB ALA 5 1.584 -2.349 2.133 42 H ILE 6 H ILE 6 3.758 -2.324 -1.213 43 HA ILE 6 HA ILE 6 2.860 0.503 -1.450 44 HB ILE 6 HB ILE 6 5.072 -0.766 -3.071 45 1HG1 ILE 6 1HG1 ILE 6 6.306 1.291 -1.930 46 2HG1 ILE 6 2HG1 ILE 6 5.166 0.995 -0.637 47 1HG2 ILE 6 1HG2 ILE 6 5.371 1.465 -4.013 48 2HG2 ILE 6 2HG2 ILE 6 3.750 0.873 -4.340 49 3HG2 ILE 6 3HG2 ILE 6 4.004 2.076 -3.054 50 1HD1 ILE 6 1HD1 ILE 6 7.396 -0.158 -0.382 51 2HD1 ILE 6 2HD1 ILE 6 6.033 -1.218 -0.259 52 3HD1 ILE 6 3HD1 ILE 6 6.985 -1.174 -1.769 53 HA PRO 7 HA PRO 7 -0.014 -1.747 -4.180 54 1HB PRO 7 1HB PRO 7 -1.507 0.450 -4.911 55 2HB PRO 7 2HB PRO 7 -1.636 -0.355 -3.314 56 1HG PRO 7 1HG PRO 7 -0.325 2.224 -4.040 57 2HG PRO 7 2HG PRO 7 -1.117 1.769 -2.496 58 1HD PRO 7 1HD PRO 7 1.524 1.730 -3.074 59 2HD PRO 7 2HD PRO 7 0.764 0.932 -1.647 60 H SER 8 H SER 8 1.156 -2.406 -5.922 61 HA SER 8 HA SER 8 2.172 -0.436 -7.933 62 1HB SER 8 1HB SER 8 3.814 -1.925 -6.972 63 2HB SER 8 2HB SER 8 2.801 -3.335 -7.235 64 HG SER 8 HG SER 8 4.389 -3.183 -8.793 65 H VAL 9 H VAL 9 1.945 -1.447 -10.216 66 HA VAL 9 HA VAL 9 -0.451 -3.209 -10.528 67 HB VAL 9 HB VAL 9 -1.176 -1.978 -12.480 68 1HG1 VAL 9 1HG1 VAL 9 -0.726 0.122 -10.329 69 2HG1 VAL 9 2HG1 VAL 9 -2.062 0.009 -11.475 70 3HG1 VAL 9 3HG1 VAL 9 -1.930 -1.193 -10.172 71 1HG2 VAL 9 1HG2 VAL 9 -0.313 0.173 -13.184 72 2HG2 VAL 9 2HG2 VAL 9 0.905 0.183 -11.920 73 3HG2 VAL 9 3HG2 VAL 9 1.024 -0.978 -13.265 74 H GLY 10 H GLY 10 2.433 -3.932 -10.304 75 1HA GLY 10 1HA GLY 10 2.528 -5.847 -12.338 76 2HA GLY 10 2HA GLY 10 3.569 -4.507 -12.835 77 H LYS 11 H LYS 11 5.230 -6.408 -12.598 78 HA LYS 11 HA LYS 11 5.927 -6.888 -9.734 79 1HB LYS 11 1HB LYS 11 6.263 -9.198 -10.191 80 2HB LYS 11 2HB LYS 11 4.618 -8.699 -10.579 81 1HG LYS 11 1HG LYS 11 5.397 -8.518 -13.022 82 2HG LYS 11 2HG LYS 11 6.871 -9.325 -12.493 83 1HD LYS 11 1HD LYS 11 5.678 -11.234 -13.024 84 2HD LYS 11 2HD LYS 11 4.988 -11.007 -11.411 85 1HE LYS 11 1HE LYS 11 3.280 -9.423 -12.656 86 2HE LYS 11 2HE LYS 11 3.865 -10.194 -14.125 87 1HZ LYS 11 1HZ LYS 11 2.085 -11.215 -12.131 88 2HZ LYS 11 2HZ LYS 11 2.342 -11.751 -13.666 89 3HZ LYS 11 3HZ LYS 11 3.275 -12.269 -12.423 90 H ASP 12 H ASP 12 7.032 -4.898 -11.279 91 HA ASP 12 HA ASP 12 9.861 -5.686 -10.883 92 1HB ASP 12 1HB ASP 12 8.649 -4.438 -13.327 93 2HB ASP 12 2HB ASP 12 10.154 -3.784 -12.778 94 H LEU 13 H LEU 13 11.076 -3.928 -10.139 95 HA LEU 13 HA LEU 13 9.624 -2.305 -8.240 96 1HB LEU 13 1HB LEU 13 11.880 -3.569 -8.176 97 2HB LEU 13 2HB LEU 13 12.583 -2.077 -8.787 98 HG LEU 13 HG LEU 13 12.912 -2.353 -6.438 99 1HD1 LEU 13 1HD1 LEU 13 10.737 -0.278 -6.561 100 2HD1 LEU 13 2HD1 LEU 13 12.182 -0.312 -5.548 101 3HD1 LEU 13 3HD1 LEU 13 12.327 -0.053 -7.312 102 1HD2 LEU 13 1HD2 LEU 13 11.082 -3.899 -5.908 103 2HD2 LEU 13 2HD2 LEU 13 11.139 -2.547 -4.774 104 3HD2 LEU 13 3HD2 LEU 13 9.912 -2.569 -6.048 105 H SER 14 H SER 14 10.517 -1.531 -11.492 106 HA SER 14 HA SER 14 9.706 1.266 -10.787 107 1HB SER 14 1HB SER 14 11.954 0.809 -11.986 108 2HB SER 14 2HB SER 14 10.897 0.276 -13.323 109 HG SER 14 HG SER 14 10.848 2.874 -12.128 110 H SER 15 H SER 15 7.835 -1.013 -10.895 111 HA SER 15 HA SER 15 6.361 -0.439 -13.365 112 1HB SER 15 1HB SER 15 5.407 -1.852 -10.820 113 2HB SER 15 2HB SER 15 4.539 -1.803 -12.366 114 HG SER 15 HG SER 15 7.091 -2.914 -11.867 115 H MET 16 H MET 16 4.009 0.611 -12.995 116 HA MET 16 HA MET 16 4.441 3.087 -11.549 117 1HB MET 16 1HB MET 16 2.363 1.813 -13.331 118 2HB MET 16 2HB MET 16 1.729 2.981 -12.199 119 1HG MET 16 1HG MET 16 4.151 3.950 -13.590 120 2HG MET 16 2HG MET 16 2.835 3.526 -14.672 121 1HE MET 16 1HE MET 16 2.341 4.861 -10.990 122 2HE MET 16 2HE MET 16 3.841 5.646 -11.555 123 3HE MET 16 3HE MET 16 2.389 6.614 -11.235 124 H VAL 17 H VAL 17 3.606 3.740 -9.561 125 HA VAL 17 HA VAL 17 2.309 1.761 -7.852 126 HB VAL 17 HB VAL 17 3.115 4.653 -7.388 127 1HG1 VAL 17 1HG1 VAL 17 2.311 2.623 -5.265 128 2HG1 VAL 17 2HG1 VAL 17 2.924 4.265 -5.015 129 3HG1 VAL 17 3HG1 VAL 17 1.319 4.011 -5.755 130 1HG2 VAL 17 1HG2 VAL 17 4.329 2.035 -6.446 131 2HG2 VAL 17 2HG2 VAL 17 4.949 3.080 -7.730 132 3HG2 VAL 17 3HG2 VAL 17 4.932 3.676 -6.079 133 H SER 18 H SER 18 0.189 1.819 -7.292 134 HA SER 18 HA SER 18 -1.670 3.000 -9.254 135 1HB SER 18 1HB SER 18 -1.729 0.552 -8.526 136 2HB SER 18 2HB SER 18 -2.100 1.083 -6.909 137 HG SER 18 HG SER 18 -3.999 0.550 -8.141 138 H ASP 19 H ASP 19 -3.349 4.395 -8.628 139 HA ASP 19 HA ASP 19 -2.576 6.117 -6.405 140 1HB ASP 19 1HB ASP 19 -4.915 6.375 -8.327 141 2HB ASP 19 2HB ASP 19 -4.423 7.596 -7.161 142 H ARG 20 H ARG 20 -3.511 3.566 -5.453 143 HA ARG 20 HA ARG 20 -5.878 3.962 -3.838 144 1HB ARG 20 1HB ARG 20 -7.166 2.201 -5.230 145 2HB ARG 20 2HB ARG 20 -7.340 3.897 -5.590 146 1HG ARG 20 1HG ARG 20 -5.392 3.280 -7.436 147 2HG ARG 20 2HG ARG 20 -6.036 1.682 -7.158 148 1HD ARG 20 1HD ARG 20 -7.173 2.590 -9.015 149 2HD ARG 20 2HD ARG 20 -8.330 2.658 -7.663 150 HE ARG 20 HE ARG 20 -6.942 5.106 -7.667 151 1HH1 ARG 20 2HH2 ARG 20 -9.068 3.456 -10.052 152 2HH1 ARG 20 1HH2 ARG 20 -9.700 4.939 -10.633 153 1HH2 ARG 20 2HH1 ARG 20 -7.670 7.039 -8.684 154 2HH2 ARG 20 1HH1 ARG 20 -8.699 6.947 -10.076 155 H PHE 21 H PHE 21 -4.986 2.791 -2.151 156 HA PHE 21 HA PHE 21 -3.445 0.511 -2.331 157 1HB PHE 21 1HB PHE 21 -3.722 1.650 -0.247 158 2HB PHE 21 2HB PHE 21 -5.454 1.482 -0.269 159 HD1 PHE 21 HD1 PHE 21 -2.529 -0.833 -0.733 160 HD2 PHE 21 HD2 PHE 21 -6.136 0.011 1.493 161 HE1 PHE 21 HE1 PHE 21 -2.287 -2.958 0.416 162 HE2 PHE 21 HE2 PHE 21 -5.825 -2.116 2.732 163 HZ PHE 21 HZ PHE 21 -3.928 -3.601 2.225 164 H ALA 22 H ALA 22 -7.005 0.474 -1.677 165 HA ALA 22 HA ALA 22 -7.007 -2.391 -2.064 166 1HB ALA 22 1HB ALA 22 -8.315 -1.283 -0.274 167 2HB ALA 22 2HB ALA 22 -9.348 -0.517 -1.510 168 3HB ALA 22 3HB ALA 22 -9.318 -2.275 -1.334 169 H ARG 23 H ARG 23 -6.660 -0.268 -4.507 170 HA ARG 23 HA ARG 23 -8.083 -2.106 -6.242 171 1HB ARG 23 1HB ARG 23 -8.534 0.839 -6.036 172 2HB ARG 23 2HB ARG 23 -8.023 0.291 -7.609 173 1HG ARG 23 1HG ARG 23 -9.951 -1.472 -7.328 174 2HG ARG 23 2HG ARG 23 -10.456 -0.472 -5.959 175 1HD ARG 23 1HD ARG 23 -11.111 1.299 -7.361 176 2HD ARG 23 2HD ARG 23 -9.915 0.926 -8.590 177 HE ARG 23 HE ARG 23 -12.618 -0.186 -8.361 178 1HH1 ARG 23 2HH2 ARG 23 -9.441 -0.403 -10.100 179 2HH1 ARG 23 1HH2 ARG 23 -10.178 -1.104 -11.484 180 1HH2 ARG 23 2HH1 ARG 23 -13.504 -1.125 -10.310 181 2HH2 ARG 23 1HH1 ARG 23 -12.423 -1.561 -11.571 182 H ALA 24 H ALA 24 -5.387 -2.160 -5.208 183 HA ALA 24 HA ALA 24 -3.897 -1.153 -7.509 184 1HB ALA 24 1HB ALA 24 -3.047 -1.018 -5.003 185 2HB ALA 24 2HB ALA 24 -2.722 -2.737 -5.126 186 3HB ALA 24 3HB ALA 24 -1.860 -1.593 -6.176 187 H GLU 25 H GLU 25 -2.052 -3.212 -8.045 188 HA GLU 25 HA GLU 25 -3.719 -5.652 -8.152 189 1HB GLU 25 1HB GLU 25 -2.557 -4.138 -10.416 190 2HB GLU 25 2HB GLU 25 -2.415 -5.921 -10.498 191 1HG GLU 25 1HG GLU 25 -5.024 -5.629 -9.662 192 2HG GLU 25 2HG GLU 25 -4.845 -4.168 -10.603 193 H TYR 26 H TYR 26 -0.753 -4.411 -7.108 194 HA TYR 26 HA TYR 26 0.154 -7.044 -6.497 195 1HB TYR 26 1HB TYR 26 1.801 -4.970 -8.099 196 2HB TYR 26 2HB TYR 26 2.502 -6.323 -7.240 197 HD1 TYR 26 HD1 TYR 26 0.114 -5.489 -10.020 198 HD2 TYR 26 HD2 TYR 26 2.729 -8.447 -8.298 199 HE1 TYR 26 HE1 TYR 26 -0.206 -6.912 -12.003 200 HE2 TYR 26 HE2 TYR 26 2.459 -9.852 -10.279 201 HH TYR 26 HH TYR 26 0.020 -9.310 -12.702 202 H PHE 27 H PHE 27 1.724 -6.785 -4.683 203 HA PHE 27 HA PHE 27 1.737 -4.086 -3.470 204 1HB PHE 27 1HB PHE 27 0.934 -6.540 -1.928 205 2HB PHE 27 2HB PHE 27 1.380 -4.996 -1.216 206 HD1 PHE 27 HD1 PHE 27 -1.297 -6.972 -2.368 207 HD2 PHE 27 HD2 PHE 27 0.044 -2.886 -2.139 208 HE1 PHE 27 HE1 PHE 27 -3.622 -6.187 -2.617 209 HE2 PHE 27 HE2 PHE 27 -2.319 -2.129 -2.476 210 HZ PHE 27 HZ PHE 27 -4.124 -3.755 -2.716 211 H ILE 28 H ILE 28 3.770 -3.595 -3.254 212 HA ILE 28 HA ILE 28 5.806 -5.737 -3.281 213 HB ILE 28 HB ILE 28 6.180 -2.746 -3.582 214 1HG1 ILE 28 1HG1 ILE 28 4.492 -3.237 -5.215 215 2HG1 ILE 28 2HG1 ILE 28 6.016 -3.069 -6.034 216 1HG2 ILE 28 1HG2 ILE 28 7.773 -5.237 -4.258 217 2HG2 ILE 28 2HG2 ILE 28 8.107 -3.709 -5.053 218 3HG2 ILE 28 3HG2 ILE 28 8.213 -3.799 -3.292 219 1HD1 ILE 28 1HD1 ILE 28 4.808 -5.788 -5.380 220 2HD1 ILE 28 2HD1 ILE 28 4.610 -4.928 -6.903 221 3HD1 ILE 28 3HD1 ILE 28 6.230 -5.418 -6.386 222 H ILE 29 H ILE 29 6.601 -6.399 -1.343 223 HA ILE 29 HA ILE 29 6.151 -4.618 0.983 224 HB ILE 29 HB ILE 29 6.362 -7.628 0.970 225 1HG1 ILE 29 1HG1 ILE 29 3.973 -5.787 1.497 226 2HG1 ILE 29 2HG1 ILE 29 4.243 -6.631 -0.029 227 1HG2 ILE 29 1HG2 ILE 29 7.276 -6.599 3.043 228 2HG2 ILE 29 2HG2 ILE 29 5.849 -5.575 3.165 229 3HG2 ILE 29 3HG2 ILE 29 5.741 -7.334 3.419 230 1HD1 ILE 29 1HD1 ILE 29 3.791 -7.985 2.654 231 2HD1 ILE 29 2HD1 ILE 29 2.661 -7.850 1.310 232 3HD1 ILE 29 3HD1 ILE 29 4.143 -8.812 1.114 233 H TYR 30 H TYR 30 7.896 -3.451 1.242 234 HA TYR 30 HA TYR 30 10.627 -4.522 0.810 235 1HB TYR 30 1HB TYR 30 9.753 -2.202 0.077 236 2HB TYR 30 2HB TYR 30 9.670 -1.800 1.791 237 HD1 TYR 30 HD1 TYR 30 11.568 -0.943 2.885 238 HD2 TYR 30 HD2 TYR 30 12.081 -2.919 -0.897 239 HE1 TYR 30 HE1 TYR 30 13.962 -0.299 2.902 240 HE2 TYR 30 HE2 TYR 30 14.539 -2.371 -0.825 241 HH TYR 30 HH TYR 30 16.011 -0.311 1.656 242 H ASP 31 H ASP 31 11.315 -5.755 2.461 243 HA ASP 31 HA ASP 31 10.700 -5.468 5.239 244 1HB ASP 31 1HB ASP 31 12.003 -7.355 3.360 245 2HB ASP 31 2HB ASP 31 13.025 -7.156 4.754 246 H THR 32 H THR 32 11.566 -3.619 6.314 247 HA THR 32 HA THR 32 14.065 -2.531 5.368 248 HB THR 32 HB THR 32 13.796 -0.755 6.852 249 HG1 THR 32 HG1 THR 32 13.275 -1.857 8.607 250 1HG2 THR 32 1HG2 THR 32 11.001 -1.462 5.879 251 2HG2 THR 32 2HG2 THR 32 11.648 0.144 6.315 252 3HG2 THR 32 3HG2 THR 32 12.303 -0.711 4.920 253 H GLU 33 H GLU 33 14.698 -5.037 6.088 254 HA GLU 33 HA GLU 33 16.658 -4.599 8.227 255 1HB GLU 33 1HB GLU 33 14.871 -7.086 8.132 256 2HB GLU 33 2HB GLU 33 16.343 -6.919 9.106 257 1HG GLU 33 1HG GLU 33 15.255 -4.780 10.077 258 2HG GLU 33 2HG GLU 33 13.726 -5.440 9.483 259 H SER 34 H SER 34 15.706 -6.538 5.458 260 HA SER 34 HA SER 34 18.613 -6.560 5.141 261 1HB SER 34 1HB SER 34 16.622 -8.836 5.092 262 2HB SER 34 2HB SER 34 18.048 -8.980 4.046 263 HG SER 34 HG SER 34 18.908 -9.744 5.723 264 H GLY 35 H GLY 35 16.656 -4.781 3.973 265 1HA GLY 35 1HA GLY 35 16.013 -3.806 2.008 266 2HA GLY 35 2HA GLY 35 17.534 -4.301 1.361 267 H ASN 36 H ASN 36 14.907 -6.427 2.428 268 HA ASN 36 HA ASN 36 15.031 -7.849 -0.175 269 1HB ASN 36 1HB ASN 36 15.331 -9.161 1.921 270 2HB ASN 36 2HB ASN 36 13.759 -8.587 2.497 271 1HD2 ASN 36 1HD2 ASN 36 15.369 -10.625 0.009 272 2HD2 ASN 36 2HD2 ASN 36 13.884 -11.356 -0.549 273 H VAL 37 H VAL 37 13.071 -8.238 -1.359 274 HA VAL 37 HA VAL 37 10.720 -6.753 -0.498 275 HB VAL 37 HB VAL 37 11.270 -6.801 -3.427 276 1HG1 VAL 37 1HG1 VAL 37 9.234 -5.826 -2.451 277 2HG1 VAL 37 2HG1 VAL 37 10.221 -4.756 -1.422 278 3HG1 VAL 37 3HG1 VAL 37 10.249 -4.559 -3.187 279 1HG2 VAL 37 1HG2 VAL 37 12.834 -4.912 -1.614 280 2HG2 VAL 37 2HG2 VAL 37 13.495 -6.054 -2.799 281 3HG2 VAL 37 3HG2 VAL 37 12.563 -4.663 -3.351 282 H GLU 38 H GLU 38 8.772 -7.637 -1.187 283 HA GLU 38 HA GLU 38 8.788 -10.310 -2.506 284 1HB GLU 38 1HB GLU 38 8.335 -10.731 -0.172 285 2HB GLU 38 2HB GLU 38 7.353 -9.285 -0.035 286 1HG GLU 38 1HG GLU 38 5.850 -11.052 0.040 287 2HG GLU 38 2HG GLU 38 5.618 -10.345 -1.543 288 H VAL 39 H VAL 39 7.325 -10.334 -4.253 289 HA VAL 39 HA VAL 39 5.621 -7.910 -4.591 290 HB VAL 39 HB VAL 39 6.444 -9.908 -6.711 291 1HG1 VAL 39 1HG1 VAL 39 4.249 -8.161 -6.684 292 2HG1 VAL 39 2HG1 VAL 39 5.462 -7.262 -7.578 293 3HG1 VAL 39 3HG1 VAL 39 5.014 -8.888 -8.103 294 1HG2 VAL 39 1HG2 VAL 39 7.553 -7.134 -6.129 295 2HG2 VAL 39 2HG2 VAL 39 8.430 -8.662 -6.123 296 3HG2 VAL 39 3HG2 VAL 39 7.806 -8.027 -7.649 297 H VAL 40 H VAL 40 3.765 -8.336 -3.615 298 HA VAL 40 HA VAL 40 2.439 -10.965 -3.758 299 HB VAL 40 HB VAL 40 1.626 -8.193 -2.847 300 1HG1 VAL 40 1HG1 VAL 40 -0.392 -9.169 -3.433 301 2HG1 VAL 40 2HG1 VAL 40 0.016 -10.712 -2.610 302 3HG1 VAL 40 3HG1 VAL 40 -0.283 -9.222 -1.672 303 1HG2 VAL 40 1HG2 VAL 40 1.842 -9.069 -0.547 304 2HG2 VAL 40 2HG2 VAL 40 2.471 -10.595 -1.209 305 3HG2 VAL 40 3HG2 VAL 40 3.371 -9.083 -1.406 306 H GLU 41 H GLU 41 0.510 -11.177 -5.000 307 HA GLU 41 HA GLU 41 0.028 -9.311 -7.266 308 1HB GLU 41 1HB GLU 41 1.348 -11.357 -7.937 309 2HB GLU 41 2HB GLU 41 0.001 -12.364 -7.360 310 1HG GLU 41 1HG GLU 41 -1.496 -11.426 -9.004 311 2HG GLU 41 2HG GLU 41 -0.281 -10.251 -9.512 312 H ASN 42 H ASN 42 -1.987 -8.478 -6.665 313 HA ASN 42 HA ASN 42 -3.889 -10.227 -5.164 314 1HB ASN 42 1HB ASN 42 -2.399 -8.087 -4.002 315 2HB ASN 42 2HB ASN 42 -4.009 -7.461 -4.352 316 1HD2 ASN 42 1HD2 ASN 42 -2.273 -9.895 -2.381 317 2HD2 ASN 42 2HD2 ASN 42 -3.661 -10.210 -1.384 318 H THR 43 H THR 43 -5.583 -10.370 -6.555 319 HA THR 43 HA THR 43 -5.816 -8.288 -8.593 320 HB THR 43 HB THR 43 -7.093 -10.165 -9.687 321 HG1 THR 43 HG1 THR 43 -7.740 -11.283 -7.880 322 1HG2 THR 43 1HG2 THR 43 -4.623 -9.713 -9.913 323 2HG2 THR 43 2HG2 THR 43 -4.289 -10.868 -8.621 324 3HG2 THR 43 3HG2 THR 43 -5.038 -11.429 -10.133 325 H ILE 44 H ILE 44 -6.526 -6.819 -6.918 326 HA ILE 44 HA ILE 44 -9.428 -6.992 -6.329 327 HB ILE 44 HB ILE 44 -8.449 -4.969 -4.697 328 1HG1 ILE 44 1HG1 ILE 44 -6.775 -6.140 -3.236 329 2HG1 ILE 44 2HG1 ILE 44 -6.454 -7.278 -4.540 330 1HG2 ILE 44 1HG2 ILE 44 -8.768 -7.880 -4.037 331 2HG2 ILE 44 2HG2 ILE 44 -8.921 -6.518 -2.894 332 3HG2 ILE 44 3HG2 ILE 44 -10.123 -6.707 -4.182 333 1HD1 ILE 44 1HD1 ILE 44 -5.515 -5.573 -5.862 334 2HD1 ILE 44 2HD1 ILE 44 -6.053 -4.286 -4.726 335 3HD1 ILE 44 3HD1 ILE 44 -4.840 -5.483 -4.225 336 H ALA 45 H ALA 45 -10.316 -6.112 -8.130 337 HA ALA 45 HA ALA 45 -9.669 -3.261 -8.666 338 1HB ALA 45 1HB ALA 45 -9.814 -3.707 -11.078 339 2HB ALA 45 2HB ALA 45 -8.492 -4.629 -10.339 340 3HB ALA 45 3HB ALA 45 -10.020 -5.442 -10.756 341 H ASP 46 H ASP 46 -11.683 -3.847 -6.946 342 HA ASP 46 HA ASP 46 -13.874 -2.728 -8.326 343 1HB ASP 46 1HB ASP 46 -14.220 -5.265 -8.807 344 2HB ASP 46 2HB ASP 46 -14.623 -5.406 -7.095 345 H ALA 47 H ALA 47 -15.891 -2.965 -6.425 346 HA ALA 47 HA ALA 47 -14.675 -2.657 -3.746 347 1HB ALA 47 1HB ALA 47 -15.119 -0.377 -4.586 348 2HB ALA 47 2HB ALA 47 -16.794 -0.839 -4.976 349 3HB ALA 47 3HB ALA 47 -16.251 -0.783 -3.289 350 H HIS 48 H HIS 48 -16.583 -2.619 -2.148 351 HA HIS 48 HA HIS 48 -17.860 -3.867 -0.917 352 1HB HIS 48 1HB HIS 48 -19.583 -3.422 -2.865 353 2HB HIS 48 2HB HIS 48 -19.375 -5.135 -3.194 354 HD1 HIS 48 HD1 HIS 48 -21.794 -5.947 -2.226 355 HD2 HIS 48 HD2 HIS 48 -19.566 -3.430 0.338 356 HE1 HIS 48 HE1 HIS 48 -23.016 -5.895 -0.017 357 H GLY 49 H GLY 49 -18.758 -6.420 -0.877 358 1HA GLY 49 1HA GLY 49 -17.769 -8.708 -1.151 359 2HA GLY 49 2HA GLY 49 -16.196 -7.933 -0.944 360 H THR 50 H THR 50 -16.493 -9.775 0.862 361 HA THR 50 HA THR 50 -17.053 -8.326 3.366 362 HB THR 50 HB THR 50 -19.052 -9.637 2.961 363 HG1 THR 50 HG1 THR 50 -18.906 -10.944 4.883 364 1HG2 THR 50 1HG2 THR 50 -18.150 -11.473 1.548 365 2HG2 THR 50 2HG2 THR 50 -17.320 -12.145 2.966 366 3HG2 THR 50 3HG2 THR 50 -19.099 -12.066 2.913 367 H GLY 51 H GLY 51 -15.426 -8.484 4.728 368 1HA GLY 51 1HA GLY 51 -13.586 -9.359 5.846 369 2HA GLY 51 2HA GLY 51 -13.399 -10.619 4.610 370 HA PRO 52 HA PRO 52 -10.828 -6.703 3.532 371 1HB PRO 52 1HB PRO 52 -8.375 -7.397 4.483 372 2HB PRO 52 2HB PRO 52 -9.552 -6.422 5.428 373 1HG PRO 52 1HG PRO 52 -8.928 -9.361 5.578 374 2HG PRO 52 2HG PRO 52 -9.180 -8.247 6.943 375 1HD PRO 52 1HD PRO 52 -11.160 -9.909 6.066 376 2HD PRO 52 2HD PRO 52 -11.529 -8.259 6.649 377 H LYS 53 H LYS 53 -9.599 -10.087 3.743 378 HA LYS 53 HA LYS 53 -8.249 -11.295 2.453 379 1HB LYS 53 1HB LYS 53 -10.053 -11.727 1.226 380 2HB LYS 53 2HB LYS 53 -10.220 -10.118 0.598 381 1HG LYS 53 1HG LYS 53 -7.878 -11.815 -0.251 382 2HG LYS 53 2HG LYS 53 -9.482 -12.144 -0.896 383 1HD LYS 53 1HD LYS 53 -7.812 -9.663 -1.323 384 2HD LYS 53 2HD LYS 53 -8.443 -10.807 -2.476 385 1HE LYS 53 1HE LYS 53 -10.221 -8.914 -0.835 386 2HE LYS 53 2HE LYS 53 -9.618 -8.577 -2.440 387 1HZ LYS 53 1HZ LYS 53 -11.797 -9.487 -2.567 388 2HZ LYS 53 2HZ LYS 53 -10.722 -10.497 -3.287 389 3HZ LYS 53 3HZ LYS 53 -11.343 -10.877 -1.801 390 H VAL 54 H VAL 54 -8.261 -8.129 0.701 391 HA VAL 54 HA VAL 54 -5.622 -8.270 -0.196 392 HB VAL 54 HB VAL 54 -6.924 -6.696 -1.149 393 1HG1 VAL 54 1HG1 VAL 54 -8.569 -6.036 0.565 394 2HG1 VAL 54 2HG1 VAL 54 -7.319 -5.046 1.357 395 3HG1 VAL 54 3HG1 VAL 54 -7.855 -4.679 -0.278 396 1HG2 VAL 54 1HG2 VAL 54 -4.460 -6.185 -0.624 397 2HG2 VAL 54 2HG2 VAL 54 -5.471 -4.814 -1.161 398 3HG2 VAL 54 3HG2 VAL 54 -5.042 -5.017 0.548 399 H VAL 55 H VAL 55 -6.856 -6.474 2.646 400 HA VAL 55 HA VAL 55 -4.386 -6.091 4.014 401 HB VAL 55 HB VAL 55 -6.919 -6.262 5.603 402 1HG1 VAL 55 1HG1 VAL 55 -6.114 -4.090 6.426 403 2HG1 VAL 55 2HG1 VAL 55 -4.941 -5.383 6.629 404 3HG1 VAL 55 3HG1 VAL 55 -4.723 -4.190 5.326 405 1HG2 VAL 55 1HG2 VAL 55 -6.526 -4.170 3.416 406 2HG2 VAL 55 2HG2 VAL 55 -7.913 -5.274 3.579 407 3HG2 VAL 55 3HG2 VAL 55 -7.669 -3.998 4.759 408 H GLN 56 H GLN 56 -6.798 -8.736 4.533 409 HA GLN 56 HA GLN 56 -5.549 -9.952 6.633 410 1HB GLN 56 1HB GLN 56 -7.366 -10.829 4.521 411 2HB GLN 56 2HB GLN 56 -6.326 -12.142 5.032 412 1HG GLN 56 1HG GLN 56 -7.792 -10.431 7.070 413 2HG GLN 56 2HG GLN 56 -8.570 -11.792 6.250 414 1HE2 GLN 56 1HE2 GLN 56 -8.848 -12.385 8.543 415 2HE2 GLN 56 2HE2 GLN 56 -7.616 -13.431 9.254 416 H SER 57 H SER 57 -4.701 -10.437 3.148 417 HA SER 57 HA SER 57 -2.650 -12.324 3.666 418 1HB SER 57 1HB SER 57 -3.910 -11.887 1.477 419 2HB SER 57 2HB SER 57 -2.934 -10.424 1.280 420 HG SER 57 HG SER 57 -2.136 -12.326 0.167 421 H LEU 58 H LEU 58 -2.239 -8.927 2.761 422 HA LEU 58 HA LEU 58 0.502 -8.708 3.106 423 1HB LEU 58 1HB LEU 58 -1.586 -6.587 3.766 424 2HB LEU 58 2HB LEU 58 0.100 -6.278 3.369 425 HG LEU 58 HG LEU 58 -1.878 -7.577 1.435 426 1HD1 LEU 58 1HD1 LEU 58 -0.980 -4.682 1.604 427 2HD1 LEU 58 2HD1 LEU 58 -2.018 -5.399 0.341 428 3HD1 LEU 58 3HD1 LEU 58 -2.590 -5.318 2.010 429 1HD2 LEU 58 1HD2 LEU 58 0.819 -6.371 0.864 430 2HD2 LEU 58 2HD2 LEU 58 0.436 -8.115 0.964 431 3HD2 LEU 58 3HD2 LEU 58 -0.345 -7.136 -0.259 432 H VAL 59 H VAL 59 -2.026 -8.181 5.553 433 HA VAL 59 HA VAL 59 -0.403 -7.440 7.766 434 HB VAL 59 HB VAL 59 -3.161 -8.594 7.256 435 1HG1 VAL 59 1HG1 VAL 59 -2.592 -9.634 9.431 436 2HG1 VAL 59 2HG1 VAL 59 -1.972 -8.085 10.044 437 3HG1 VAL 59 3HG1 VAL 59 -3.698 -8.287 9.713 438 1HG2 VAL 59 1HG2 VAL 59 -3.767 -6.379 8.332 439 2HG2 VAL 59 2HG2 VAL 59 -2.036 -6.023 8.484 440 3HG2 VAL 59 3HG2 VAL 59 -2.779 -6.212 6.871 441 H SER 60 H SER 60 -1.475 -10.656 6.559 442 HA SER 60 HA SER 60 -0.146 -12.090 8.695 443 1HB SER 60 1HB SER 60 -1.314 -13.017 6.047 444 2HB SER 60 2HB SER 60 -0.826 -14.053 7.389 445 HG SER 60 HG SER 60 -2.952 -12.233 7.148 446 H LYS 61 H LYS 61 1.255 -10.245 6.333 447 HA LYS 61 HA LYS 61 3.689 -11.930 6.504 448 1HB LYS 61 1HB LYS 61 3.532 -9.922 4.323 449 2HB LYS 61 2HB LYS 61 4.320 -11.499 4.367 450 1HG LYS 61 1HG LYS 61 1.609 -12.175 4.396 451 2HG LYS 61 2HG LYS 61 1.615 -10.659 3.513 452 1HD LYS 61 1HD LYS 61 2.779 -13.350 2.924 453 2HD LYS 61 2HD LYS 61 1.456 -12.496 2.122 454 1HE LYS 61 1HE LYS 61 3.095 -10.887 1.139 455 2HE LYS 61 2HE LYS 61 4.410 -11.665 2.051 456 1HZ LYS 61 1HZ LYS 61 2.903 -12.817 -0.220 457 2HZ LYS 61 2HZ LYS 61 4.532 -12.619 -0.084 458 3HZ LYS 61 3HZ LYS 61 3.808 -13.737 0.807 459 H GLY 62 H GLY 62 2.612 -10.291 8.492 460 1HA GLY 62 1HA GLY 62 3.120 -8.833 10.043 461 2HA GLY 62 2HA GLY 62 4.792 -8.920 9.471 462 H VAL 63 H VAL 63 2.731 -7.528 7.051 463 HA VAL 63 HA VAL 63 4.180 -5.175 6.916 464 HB VAL 63 HB VAL 63 1.426 -5.900 5.917 465 1HG1 VAL 63 1HG1 VAL 63 3.122 -3.519 5.057 466 2HG1 VAL 63 2HG1 VAL 63 1.616 -4.082 4.290 467 3HG1 VAL 63 3HG1 VAL 63 1.576 -3.426 5.919 468 1HG2 VAL 63 1HG2 VAL 63 2.547 -6.259 3.802 469 2HG2 VAL 63 2HG2 VAL 63 4.055 -5.583 4.435 470 3HG2 VAL 63 3HG2 VAL 63 3.465 -7.158 5.022 471 H GLU 64 H GLU 64 4.495 -3.728 8.486 472 HA GLU 64 HA GLU 64 2.108 -2.710 10.053 473 1HB GLU 64 1HB GLU 64 5.135 -2.597 10.407 474 2HB GLU 64 2HB GLU 64 4.114 -1.618 11.368 475 1HG GLU 64 1HG GLU 64 3.128 -4.372 11.439 476 2HG GLU 64 2HG GLU 64 4.840 -4.322 11.847 477 H TYR 65 H TYR 65 2.584 -1.823 7.195 478 HA TYR 65 HA TYR 65 2.478 1.047 7.516 479 1HB TYR 65 1HB TYR 65 4.975 -0.391 6.667 480 2HB TYR 65 2HB TYR 65 4.550 1.087 5.894 481 HD1 TYR 65 HD1 TYR 65 4.058 3.170 7.448 482 HD2 TYR 65 HD2 TYR 65 6.621 -0.159 8.140 483 HE1 TYR 65 HE1 TYR 65 5.450 4.600 8.946 484 HE2 TYR 65 HE2 TYR 65 8.062 1.260 9.694 485 HH TYR 65 HH TYR 65 7.581 4.755 9.885 486 H LEU 66 H LEU 66 2.494 2.018 5.279 487 HA LEU 66 HA LEU 66 2.338 0.361 2.949 488 1HB LEU 66 1HB LEU 66 0.215 -0.308 3.762 489 2HB LEU 66 2HB LEU 66 -0.151 1.298 4.371 490 HG LEU 66 HG LEU 66 -0.398 2.163 2.134 491 1HD1 LEU 66 1HD1 LEU 66 -0.130 -0.752 1.220 492 2HD1 LEU 66 2HD1 LEU 66 -0.789 0.549 0.211 493 3HD1 LEU 66 3HD1 LEU 66 0.884 0.611 0.703 494 1HD2 LEU 66 1HD2 LEU 66 -2.597 1.177 1.740 495 2HD2 LEU 66 2HD2 LEU 66 -2.148 -0.281 2.656 496 3HD2 LEU 66 3HD2 LEU 66 -2.319 1.278 3.468 497 H ILE 67 H ILE 67 2.345 1.734 1.074 498 HA ILE 67 HA ILE 67 2.406 4.693 1.514 499 HB ILE 67 HB ILE 67 3.941 2.859 -0.388 500 1HG1 ILE 67 1HG1 ILE 67 5.072 4.913 1.585 501 2HG1 ILE 67 2HG1 ILE 67 4.688 3.333 2.199 502 1HG2 ILE 67 1HG2 ILE 67 3.704 5.883 -0.288 503 2HG2 ILE 67 2HG2 ILE 67 5.170 5.102 -0.902 504 3HG2 ILE 67 3HG2 ILE 67 3.617 4.776 -1.688 505 1HD1 ILE 67 1HD1 ILE 67 7.098 3.667 1.513 506 2HD1 ILE 67 2HD1 ILE 67 6.269 2.191 0.988 507 3HD1 ILE 67 3HD1 ILE 67 6.529 3.487 -0.162 508 H ALA 68 H ALA 68 0.278 5.218 0.925 509 HA ALA 68 HA ALA 68 -0.691 4.340 -1.683 510 1HB ALA 68 1HB ALA 68 -1.501 2.486 -0.391 511 2HB ALA 68 2HB ALA 68 -2.198 3.571 0.847 512 3HB ALA 68 3HB ALA 68 -2.859 3.568 -0.805 513 H SER 69 H SER 69 -1.285 6.154 -2.411 514 HA SER 69 HA SER 69 -1.799 8.664 -1.250 515 1HB SER 69 1HB SER 69 -2.328 9.311 -3.409 516 2HB SER 69 2HB SER 69 -1.149 8.034 -3.623 517 HG SER 69 HG SER 69 -3.549 8.254 -4.598 518 H ASN 70 H ASN 70 -4.062 5.974 -1.635 519 HA ASN 70 HA ASN 70 -6.315 7.302 -0.514 520 1HB ASN 70 1HB ASN 70 -6.005 6.908 -3.542 521 2HB ASN 70 2HB ASN 70 -7.583 6.694 -2.846 522 1HD2 ASN 70 1HD2 ASN 70 -7.414 9.008 -0.916 523 2HD2 ASN 70 2HD2 ASN 70 -7.641 10.352 -2.002 524 H VAL 71 H VAL 71 -8.294 5.549 -1.062 525 HA VAL 71 HA VAL 71 -7.159 2.857 -1.402 526 HB VAL 71 HB VAL 71 -7.305 3.479 0.983 527 1HG1 VAL 71 1HG1 VAL 71 -9.424 3.594 2.134 528 2HG1 VAL 71 2HG1 VAL 71 -9.276 4.942 0.988 529 3HG1 VAL 71 3HG1 VAL 71 -10.320 3.557 0.602 530 1HG2 VAL 71 1HG2 VAL 71 -8.151 1.503 1.774 531 2HG2 VAL 71 2HG2 VAL 71 -9.291 1.286 0.418 532 3HG2 VAL 71 3HG2 VAL 71 -7.539 1.133 0.161 533 H GLY 72 H GLY 72 -8.651 1.382 -2.254 534 1HA GLY 72 1HA GLY 72 -10.493 2.022 -4.251 535 2HA GLY 72 2HA GLY 72 -10.498 0.575 -3.282 536 H ARG 73 H ARG 73 -11.058 1.037 -0.941 537 HA ARG 73 HA ARG 73 -12.846 2.387 0.432 538 1HB ARG 73 1HB ARG 73 -14.319 1.184 -1.889 539 2HB ARG 73 2HB ARG 73 -14.971 0.762 -0.325 540 1HG ARG 73 1HG ARG 73 -15.094 3.159 0.320 541 2HG ARG 73 2HG ARG 73 -14.570 3.609 -1.313 542 1HD ARG 73 1HD ARG 73 -16.556 2.538 -2.279 543 2HD ARG 73 2HD ARG 73 -17.039 1.918 -0.701 544 HE ARG 73 HE ARG 73 -17.297 4.677 -1.716 545 1HH1 ARG 73 2HH2 ARG 73 -18.100 2.507 0.935 546 2HH1 ARG 73 1HH2 ARG 73 -18.518 3.750 2.047 547 1HH2 ARG 73 2HH1 ARG 73 -18.547 6.209 -0.516 548 2HH2 ARG 73 1HH1 ARG 73 -18.875 5.919 1.145 549 H ASN 74 H ASN 74 -14.278 0.525 1.701 550 HA ASN 74 HA ASN 74 -13.793 -0.848 3.457 551 1HB ASN 74 1HB ASN 74 -15.422 -1.861 1.848 552 2HB ASN 74 2HB ASN 74 -14.082 -2.789 1.164 553 1HD2 ASN 74 1HD2 ASN 74 -15.264 -2.016 4.531 554 2HD2 ASN 74 2HD2 ASN 74 -15.109 -3.672 5.077 555 H ALA 75 H ALA 75 -11.418 -0.094 3.554 556 HA ALA 75 HA ALA 75 -9.995 -2.554 4.208 557 1HB ALA 75 1HB ALA 75 -8.696 -0.659 2.221 558 2HB ALA 75 2HB ALA 75 -7.961 -2.094 2.968 559 3HB ALA 75 3HB ALA 75 -9.312 -2.287 1.839 560 H PHE 76 H PHE 76 -10.199 0.985 4.306 561 HA PHE 76 HA PHE 76 -7.696 1.488 5.530 562 1HB PHE 76 1HB PHE 76 -8.822 3.195 4.422 563 2HB PHE 76 2HB PHE 76 -10.310 2.958 5.316 564 HD1 PHE 76 HD1 PHE 76 -6.842 4.368 5.553 565 HD2 PHE 76 HD2 PHE 76 -10.718 4.037 7.433 566 HE1 PHE 76 HE1 PHE 76 -6.348 6.360 6.931 567 HE2 PHE 76 HE2 PHE 76 -10.209 5.992 8.820 568 HZ PHE 76 HZ PHE 76 -8.059 7.211 8.560 569 H GLU 77 H GLU 77 -10.799 0.593 6.960 570 HA GLU 77 HA GLU 77 -10.021 1.192 9.686 571 1HB GLU 77 1HB GLU 77 -12.112 -0.776 8.696 572 2HB GLU 77 2HB GLU 77 -11.986 -0.060 10.309 573 1HG GLU 77 1HG GLU 77 -12.276 2.222 9.218 574 2HG GLU 77 2HG GLU 77 -12.656 1.401 7.707 575 H THR 78 H THR 78 -9.614 -1.627 7.514 576 HA THR 78 HA THR 78 -8.905 -3.376 9.734 577 HB THR 78 HB THR 78 -8.615 -4.097 6.817 578 HG1 THR 78 HG1 THR 78 -10.706 -4.178 6.471 579 1HG2 THR 78 1HG2 THR 78 -9.679 -6.226 7.726 580 2HG2 THR 78 2HG2 THR 78 -8.104 -5.838 8.444 581 3HG2 THR 78 3HG2 THR 78 -9.604 -5.522 9.339 582 H LEU 79 H LEU 79 -7.394 -1.148 7.618 583 HA LEU 79 HA LEU 79 -4.701 -2.211 7.664 584 1HB LEU 79 1HB LEU 79 -5.843 0.596 7.222 585 2HB LEU 79 2HB LEU 79 -4.128 0.294 7.233 586 HG LEU 79 HG LEU 79 -5.913 -1.328 5.392 587 1HD1 LEU 79 1HD1 LEU 79 -4.623 0.680 3.808 588 2HD1 LEU 79 2HD1 LEU 79 -6.338 0.346 3.999 589 3HD1 LEU 79 3HD1 LEU 79 -5.543 1.506 5.073 590 1HD2 LEU 79 1HD2 LEU 79 -3.805 -1.618 4.164 591 2HD2 LEU 79 2HD2 LEU 79 -2.987 -0.520 5.278 592 3HD2 LEU 79 3HD2 LEU 79 -3.597 -2.089 5.840 593 H LYS 80 H LYS 80 -6.177 0.492 9.460 594 HA LYS 80 HA LYS 80 -4.128 0.592 11.416 595 1HB LYS 80 1HB LYS 80 -5.845 1.895 12.637 596 2HB LYS 80 2HB LYS 80 -5.336 2.440 11.035 597 1HG LYS 80 1HG LYS 80 -7.604 1.091 10.377 598 2HG LYS 80 2HG LYS 80 -8.023 1.467 12.029 599 1HD LYS 80 1HD LYS 80 -8.846 3.050 10.213 600 2HD LYS 80 2HD LYS 80 -8.056 3.829 11.566 601 1HE LYS 80 1HE LYS 80 -6.396 3.050 9.161 602 2HE LYS 80 2HE LYS 80 -7.508 4.397 8.991 603 1HZ LYS 80 1HZ LYS 80 -5.751 4.412 11.322 604 2HZ LYS 80 2HZ LYS 80 -5.072 4.775 9.876 605 3HZ LYS 80 3HZ LYS 80 -6.343 5.676 10.485 606 H ALA 81 H ALA 81 -7.077 -1.331 11.408 607 HA ALA 81 HA ALA 81 -7.026 -2.371 13.988 608 1HB ALA 81 1HB ALA 81 -7.441 -3.998 11.445 609 2HB ALA 81 2HB ALA 81 -7.970 -4.441 13.069 610 3HB ALA 81 3HB ALA 81 -8.694 -3.032 12.273 611 H ALA 82 H ALA 82 -4.659 -3.012 11.397 612 HA ALA 82 HA ALA 82 -3.106 -4.756 13.270 613 1HB ALA 82 1HB ALA 82 -2.010 -5.537 11.159 614 2HB ALA 82 2HB ALA 82 -3.756 -5.846 11.149 615 3HB ALA 82 3HB ALA 82 -3.087 -4.474 10.227 616 H GLY 83 H GLY 83 -3.235 -1.830 13.480 617 1HA GLY 83 1HA GLY 83 -1.991 -0.021 13.597 618 2HA GLY 83 2HA GLY 83 -0.630 -1.098 13.979 619 H VAL 84 H VAL 84 -2.228 -0.952 10.783 620 HA VAL 84 HA VAL 84 0.352 -0.577 9.630 621 HB VAL 84 HB VAL 84 -2.394 -0.718 8.326 622 1HG1 VAL 84 1HG1 VAL 84 -0.615 0.100 6.748 623 2HG1 VAL 84 2HG1 VAL 84 0.336 -1.351 7.149 624 3HG1 VAL 84 3HG1 VAL 84 -1.208 -1.519 6.332 625 1HG2 VAL 84 1HG2 VAL 84 -0.389 -2.881 9.002 626 2HG2 VAL 84 2HG2 VAL 84 -1.924 -2.627 9.774 627 3HG2 VAL 84 3HG2 VAL 84 -1.918 -3.113 8.087 628 H LYS 85 H LYS 85 1.390 1.261 9.502 629 HA LYS 85 HA LYS 85 -0.043 3.739 9.485 630 1HB LYS 85 1HB LYS 85 2.668 2.894 10.039 631 2HB LYS 85 2HB LYS 85 2.713 4.230 8.896 632 1HG LYS 85 1HG LYS 85 1.273 5.589 10.384 633 2HG LYS 85 2HG LYS 85 1.288 4.271 11.581 634 1HD LYS 85 1HD LYS 85 3.786 4.489 11.723 635 2HD LYS 85 2HD LYS 85 3.704 5.788 10.509 636 1HE LYS 85 1HE LYS 85 2.084 6.977 12.128 637 2HE LYS 85 2HE LYS 85 2.598 5.809 13.355 638 1HZ LYS 85 1HZ LYS 85 3.804 7.953 13.353 639 2HZ LYS 85 2HZ LYS 85 4.865 6.719 13.119 640 3HZ LYS 85 3HZ LYS 85 4.367 7.651 11.864 641 H VAL 86 H VAL 86 -1.027 4.448 7.648 642 HA VAL 86 HA VAL 86 -0.105 3.574 4.942 643 HB VAL 86 HB VAL 86 -2.739 4.855 5.784 644 1HG1 VAL 86 1HG1 VAL 86 -1.660 3.576 3.244 645 2HG1 VAL 86 2HG1 VAL 86 -3.399 3.875 3.514 646 3HG1 VAL 86 3HG1 VAL 86 -2.238 5.222 3.458 647 1HG2 VAL 86 1HG2 VAL 86 -3.600 2.477 5.396 648 2HG2 VAL 86 2HG2 VAL 86 -1.915 1.929 5.601 649 3HG2 VAL 86 3HG2 VAL 86 -2.751 2.772 6.907 650 H TYR 87 H TYR 87 1.316 5.002 4.130 651 HA TYR 87 HA TYR 87 1.137 7.901 4.563 652 1HB TYR 87 1HB TYR 87 3.029 5.933 3.222 653 2HB TYR 87 2HB TYR 87 3.043 7.543 2.604 654 HD1 TYR 87 HD1 TYR 87 4.101 9.286 3.786 655 HD2 TYR 87 HD2 TYR 87 3.481 5.518 5.727 656 HE1 TYR 87 HE1 TYR 87 5.622 10.015 5.544 657 HE2 TYR 87 HE2 TYR 87 4.970 6.287 7.622 658 HH TYR 87 HH TYR 87 6.841 9.335 7.435 659 H ARG 88 H ARG 88 1.140 9.295 2.756 660 HA ARG 88 HA ARG 88 -0.656 8.638 0.517 661 1HB ARG 88 1HB ARG 88 -0.667 10.905 1.763 662 2HB ARG 88 2HB ARG 88 1.006 11.098 1.282 663 1HG ARG 88 1HG ARG 88 0.177 12.393 -0.314 664 2HG ARG 88 2HG ARG 88 -0.083 10.899 -1.195 665 1HD ARG 88 1HD ARG 88 -2.439 10.850 -0.349 666 2HD ARG 88 2HD ARG 88 -2.114 12.373 0.524 667 HE ARG 88 HE ARG 88 -1.599 12.333 -2.386 668 1HH1 ARG 88 2HH2 ARG 88 -3.918 13.296 0.121 669 2HH1 ARG 88 1HH2 ARG 88 -4.850 14.273 -0.973 670 1HH2 ARG 88 2HH1 ARG 88 -2.511 13.945 -3.620 671 2HH2 ARG 88 1HH1 ARG 88 -3.891 14.824 -3.030 672 H PHE 89 H PHE 89 0.296 8.678 -1.674 673 HA PHE 89 HA PHE 89 3.068 9.465 -1.925 674 1HB PHE 89 1HB PHE 89 3.906 7.524 -2.641 675 2HB PHE 89 2HB PHE 89 2.432 6.733 -2.173 676 HD1 PHE 89 HD1 PHE 89 0.445 6.688 -3.701 677 HD2 PHE 89 HD2 PHE 89 4.475 7.372 -5.194 678 HE1 PHE 89 HE1 PHE 89 -0.348 6.386 -6.038 679 HE2 PHE 89 HE2 PHE 89 3.664 6.976 -7.402 680 HZ PHE 89 HZ PHE 89 1.260 6.600 -7.916 681 H GLU 90 H GLU 90 3.376 10.280 -4.336 682 HA GLU 90 HA GLU 90 0.849 10.659 -5.770 683 1HB GLU 90 1HB GLU 90 0.974 12.474 -3.965 684 2HB GLU 90 2HB GLU 90 2.347 13.125 -4.854 685 1HG GLU 90 1HG GLU 90 0.955 13.551 -6.804 686 2HG GLU 90 2HG GLU 90 -0.397 12.663 -6.114 687 H GLY 91 H GLY 91 1.818 9.531 -7.417 688 1HA GLY 91 1HA GLY 91 2.561 9.620 -9.577 689 2HA GLY 91 2HA GLY 91 3.259 11.204 -9.249 690 H GLY 92 H GLY 92 3.904 7.677 -9.170 691 1HA GLY 92 1HA GLY 92 6.720 8.003 -9.734 692 2HA GLY 92 2HA GLY 92 6.367 7.636 -8.049 693 H THR 93 H THR 93 7.829 5.875 -9.836 694 HA THR 93 HA THR 93 6.044 3.577 -10.142 695 HB THR 93 HB THR 93 8.074 2.470 -10.890 696 HG1 THR 93 HG1 THR 93 9.455 4.935 -10.881 697 1HG2 THR 93 1HG2 THR 93 7.557 5.079 -12.340 698 2HG2 THR 93 2HG2 THR 93 8.403 3.670 -13.017 699 3HG2 THR 93 3HG2 THR 93 6.692 3.550 -12.555 700 H VAL 94 H VAL 94 6.856 1.503 -8.988 701 HA VAL 94 HA VAL 94 6.585 1.729 -6.369 702 HB VAL 94 HB VAL 94 8.206 -0.414 -7.797 703 1HG1 VAL 94 1HG1 VAL 94 8.724 -0.439 -5.389 704 2HG1 VAL 94 2HG1 VAL 94 6.982 -0.484 -5.019 705 3HG1 VAL 94 3HG1 VAL 94 7.770 -1.807 -5.925 706 1HG2 VAL 94 1HG2 VAL 94 6.061 -1.595 -7.665 707 2HG2 VAL 94 2HG2 VAL 94 5.298 -0.191 -6.900 708 3HG2 VAL 94 3HG2 VAL 94 5.864 -0.121 -8.580 709 H GLN 95 H GLN 95 9.948 1.928 -7.720 710 HA GLN 95 HA GLN 95 11.126 2.209 -5.212 711 1HB GLN 95 1HB GLN 95 12.051 2.260 -7.777 712 2HB GLN 95 2HB GLN 95 12.280 3.963 -7.330 713 1HG GLN 95 1HG GLN 95 13.314 1.600 -5.657 714 2HG GLN 95 2HG GLN 95 14.230 2.344 -6.953 715 1HE2 GLN 95 1HE2 GLN 95 13.765 2.471 -3.526 716 2HE2 GLN 95 2HE2 GLN 95 14.448 4.083 -3.383 717 H GLU 96 H GLU 96 9.361 4.694 -6.888 718 HA GLU 96 HA GLU 96 10.565 7.004 -5.628 719 1HB GLU 96 1HB GLU 96 7.933 6.419 -7.021 720 2HB GLU 96 2HB GLU 96 8.274 8.014 -6.436 721 1HG GLU 96 1HG GLU 96 10.190 6.616 -8.373 722 2HG GLU 96 2HG GLU 96 8.665 7.295 -8.942 723 H ALA 97 H ALA 97 7.543 5.021 -5.135 724 HA ALA 97 HA ALA 97 6.592 6.326 -2.882 725 1HB ALA 97 1HB ALA 97 5.918 3.762 -2.368 726 2HB ALA 97 2HB ALA 97 5.227 4.636 -3.758 727 3HB ALA 97 3HB ALA 97 6.571 3.499 -3.961 728 H ILE 98 H ILE 98 9.522 4.385 -3.103 729 HA ILE 98 HA ILE 98 9.699 3.990 -0.171 730 HB ILE 98 HB ILE 98 11.854 3.272 -2.199 731 1HG1 ILE 98 1HG1 ILE 98 10.024 2.537 -3.257 732 2HG1 ILE 98 2HG1 ILE 98 10.891 1.136 -2.628 733 1HG2 ILE 98 1HG2 ILE 98 10.919 2.049 0.455 734 2HG2 ILE 98 2HG2 ILE 98 12.204 1.377 -0.566 735 3HG2 ILE 98 3HG2 ILE 98 12.406 2.978 0.171 736 1HD1 ILE 98 1HD1 ILE 98 8.260 2.299 -1.517 737 2HD1 ILE 98 2HD1 ILE 98 8.510 0.773 -2.397 738 3HD1 ILE 98 3HD1 ILE 98 9.208 0.992 -0.768 739 H ASP 99 H ASP 99 11.714 5.319 -2.834 740 HA ASP 99 HA ASP 99 13.710 6.632 -1.412 741 1HB ASP 99 1HB ASP 99 13.599 6.165 -3.833 742 2HB ASP 99 2HB ASP 99 12.313 7.278 -4.055 743 H ALA 100 H ALA 100 10.434 7.622 -2.281 744 HA ALA 100 HA ALA 100 10.727 10.370 -1.341 745 1HB ALA 100 1HB ALA 100 8.186 8.730 -1.765 746 2HB ALA 100 2HB ALA 100 8.322 10.511 -1.660 747 3HB ALA 100 3HB ALA 100 9.041 9.624 -3.022 748 H PHE 101 H PHE 101 9.162 7.458 0.038 749 HA PHE 101 HA PHE 101 8.369 8.576 2.541 750 1HB PHE 101 1HB PHE 101 7.346 6.588 1.864 751 2HB PHE 101 2HB PHE 101 8.854 5.828 1.405 752 HD1 PHE 101 HD1 PHE 101 10.066 4.446 2.802 753 HD2 PHE 101 HD2 PHE 101 6.732 6.703 4.351 754 HE1 PHE 101 HE1 PHE 101 10.143 3.139 4.880 755 HE2 PHE 101 HE2 PHE 101 6.785 5.315 6.430 756 HZ PHE 101 HZ PHE 101 8.474 3.542 6.700 757 H SER 102 H SER 102 11.325 6.833 1.579 758 HA SER 102 HA SER 102 12.352 6.493 4.206 759 1HB SER 102 1HB SER 102 14.327 5.648 3.041 760 2HB SER 102 2HB SER 102 12.828 5.033 2.307 761 HG SER 102 HG SER 102 14.177 7.235 1.157 762 H GLU 103 H GLU 103 12.754 9.024 1.707 763 HA GLU 103 HA GLU 103 14.602 10.458 3.562 764 1HB GLU 103 1HB GLU 103 14.057 11.026 0.635 765 2HB GLU 103 2HB GLU 103 15.359 11.644 1.665 766 1HG GLU 103 1HG GLU 103 15.761 8.856 1.778 767 2HG GLU 103 2HG GLU 103 15.162 9.091 0.155 768 H GLY 104 H GLY 104 11.800 10.148 4.005 769 1HA GLY 104 1HA GLY 104 10.026 11.336 4.759 770 2HA GLY 104 2HA GLY 104 11.283 12.498 5.224 771 H ARG 105 H ARG 105 10.007 11.660 1.964 772 HA ARG 105 HA ARG 105 8.788 14.399 1.762 773 1HB ARG 105 1HB ARG 105 9.876 12.634 -0.473 774 2HB ARG 105 2HB ARG 105 9.082 14.204 -0.637 775 1HG ARG 105 1HG ARG 105 11.055 15.211 0.667 776 2HG ARG 105 2HG ARG 105 11.790 13.604 0.585 777 1HD ARG 105 1HD ARG 105 12.786 14.464 -1.245 778 2HD ARG 105 2HD ARG 105 11.343 13.840 -2.021 779 HE ARG 105 HE ARG 105 12.178 16.609 -1.594 780 1HH1 ARG 105 2HH2 ARG 105 9.502 14.603 -2.817 781 2HH1 ARG 105 1HH2 ARG 105 8.513 15.963 -3.227 782 1HH2 ARG 105 2HH1 ARG 105 11.137 18.287 -2.523 783 2HH2 ARG 105 1HH1 ARG 105 9.583 18.137 -3.289 784 H LEU 106 H LEU 106 7.422 12.049 2.923 785 HA LEU 106 HA LEU 106 5.225 12.159 0.985 786 1HB LEU 106 1HB LEU 106 6.140 9.635 2.439 787 2HB LEU 106 2HB LEU 106 4.548 9.816 1.745 788 HG LEU 106 HG LEU 106 7.170 9.678 0.276 789 1HD1 LEU 106 1HD1 LEU 106 5.688 7.631 1.186 790 2HD1 LEU 106 2HD1 LEU 106 4.741 7.957 -0.246 791 3HD1 LEU 106 3HD1 LEU 106 6.450 7.576 -0.428 792 1HD2 LEU 106 1HD2 LEU 106 6.022 11.136 -1.209 793 2HD2 LEU 106 2HD2 LEU 106 5.537 9.583 -1.816 794 3HD2 LEU 106 3HD2 LEU 106 4.443 10.505 -0.749 795 H GLU 107 H GLU 107 3.126 11.418 2.268 796 HA GLU 107 HA GLU 107 3.189 12.985 4.813 797 1HB GLU 107 1HB GLU 107 0.758 12.540 3.060 798 2HB GLU 107 2HB GLU 107 1.051 13.753 4.295 799 1HG GLU 107 1HG GLU 107 2.747 14.822 2.771 800 2HG GLU 107 2HG GLU 107 2.353 13.611 1.535 801 H GLU 108 H GLU 108 1.855 12.121 6.590 802 HA GLU 108 HA GLU 108 1.236 9.237 6.431 803 1HB GLU 108 1HB GLU 108 2.292 10.744 8.394 804 2HB GLU 108 2HB GLU 108 0.572 10.976 8.798 805 1HG GLU 108 1HG GLU 108 0.429 8.395 8.765 806 2HG GLU 108 2HG GLU 108 2.192 8.431 8.525 807 H LEU 109 H LEU 109 -0.808 8.586 5.759 808 HA LEU 109 HA LEU 109 -2.797 10.722 5.302 809 1HB LEU 109 1HB LEU 109 -1.808 9.503 3.343 810 2HB LEU 109 2HB LEU 109 -2.641 8.058 3.926 811 HG LEU 109 HG LEU 109 -4.786 9.498 3.938 812 1HD1 LEU 109 1HD1 LEU 109 -3.971 11.741 3.824 813 2HD1 LEU 109 2HD1 LEU 109 -3.000 11.392 2.377 814 3HD1 LEU 109 3HD1 LEU 109 -4.782 11.423 2.306 815 1HD2 LEU 109 1HD2 LEU 109 -3.412 9.044 1.293 816 2HD2 LEU 109 2HD2 LEU 109 -4.306 7.833 2.203 817 3HD2 LEU 109 3HD2 LEU 109 -5.188 9.240 1.547 818 H THR 110 H THR 110 -3.133 10.463 7.692 819 HA THR 110 HA THR 110 -4.466 7.989 8.524 820 HB THR 110 HB THR 110 -4.121 9.288 10.790 821 HG1 THR 110 HG1 THR 110 -3.665 11.365 9.904 822 1HG2 THR 110 1HG2 THR 110 -2.800 7.407 9.981 823 2HG2 THR 110 2HG2 THR 110 -1.813 8.490 8.964 824 3HG2 THR 110 3HG2 THR 110 -1.745 8.603 10.721 825 H THR 111 H THR 111 -5.918 9.545 6.729 826 HA THR 111 HA THR 111 -8.392 9.128 7.129 827 HB THR 111 HB THR 111 -8.557 10.472 9.204 828 HG1 THR 111 HG1 THR 111 -10.360 10.162 8.042 829 1HG2 THR 111 1HG2 THR 111 -6.971 12.324 8.673 830 2HG2 THR 111 2HG2 THR 111 -8.092 12.906 7.421 831 3HG2 THR 111 3HG2 THR 111 -8.580 12.914 9.129 832 H PHE 112 H PHE 112 -9.761 10.445 5.451 833 HA PHE 112 HA PHE 112 -8.515 12.357 3.772 834 1HB PHE 112 1HB PHE 112 -8.672 10.872 1.660 835 2HB PHE 112 2HB PHE 112 -7.284 10.626 2.703 836 HD1 PHE 112 HD1 PHE 112 -10.680 9.254 1.854 837 HD2 PHE 112 HD2 PHE 112 -6.874 8.542 3.749 838 HE1 PHE 112 HE1 PHE 112 -11.335 6.919 2.288 839 HE2 PHE 112 HE2 PHE 112 -7.521 6.199 4.163 840 HZ PHE 112 HZ PHE 112 -9.772 5.385 3.482 841 H THR 113 H THR 113 -10.047 12.728 1.886 842 HA THR 113 HA THR 113 -12.820 12.670 2.943 843 HB THR 113 HB THR 113 -11.660 14.146 0.558 844 HG1 THR 113 HG1 THR 113 -11.748 14.994 3.284 845 1HG2 THR 113 1HG2 THR 113 -14.096 14.329 0.697 846 2HG2 THR 113 2HG2 THR 113 -13.982 14.870 2.391 847 3HG2 THR 113 3HG2 THR 113 -13.344 15.872 1.076 848 H ARG 114 H ARG 114 -14.668 12.193 1.312 849 HA ARG 114 HA ARG 114 -14.063 11.241 -1.267 850 1HB ARG 114 1HB ARG 114 -13.436 9.121 -0.293 851 2HB ARG 114 2HB ARG 114 -14.790 9.141 0.814 852 1HG ARG 114 1HG ARG 114 -15.334 7.540 -0.884 853 2HG ARG 114 2HG ARG 114 -16.359 8.901 -1.181 854 1HD ARG 114 1HD ARG 114 -15.643 8.627 -3.318 855 2HD ARG 114 2HD ARG 114 -14.303 9.643 -2.776 856 HE ARG 114 HE ARG 114 -13.738 6.918 -2.107 857 1HH1 ARG 114 2HH2 ARG 114 -13.919 8.929 -5.075 858 2HH1 ARG 114 1HH2 ARG 114 -12.581 8.118 -5.827 859 1HH2 ARG 114 2HH1 ARG 114 -12.349 5.556 -3.341 860 2HH2 ARG 114 1HH1 ARG 114 -11.717 6.181 -4.833 861 H GLU 115 H GLU 115 -15.608 12.509 -2.126 862 HA GLU 115 HA GLU 115 -18.207 12.776 -0.840 863 1HB GLU 115 1HB GLU 115 -18.580 14.505 -2.358 864 2HB GLU 115 2HB GLU 115 -16.880 14.564 -1.881 865 1HG GLU 115 1HG GLU 115 -17.318 13.129 -4.440 866 2HG GLU 115 2HG GLU 115 -17.829 14.813 -4.457 867 H GLY 116 H GLY 116 -17.779 10.092 -1.513 868 1HA GLY 116 1HA GLY 116 -19.760 9.560 -3.687 869 2HA GLY 116 2HA GLY 116 -18.267 8.620 -3.532 Start of MODEL 2 1 1H MET 1 H1 MET 1 12.187 1.346 11.760 2 HA MET 1 HA MET 1 11.735 -0.738 10.660 3 1HB MET 1 1HB MET 1 11.441 -0.855 13.678 4 2HB MET 1 2HB MET 1 11.471 -2.298 12.679 5 1HG MET 1 1HG MET 1 13.652 -2.033 13.437 6 2HG MET 1 2HG MET 1 13.694 -1.551 11.745 7 1HE MET 1 1HE MET 1 16.271 -0.540 12.845 8 2HE MET 1 2HE MET 1 16.174 0.467 14.314 9 3HE MET 1 3HE MET 1 15.569 -1.194 14.343 10 H ALA 2 H ALA 2 10.069 -1.345 9.441 11 HA ALA 2 HA ALA 2 8.324 -3.099 10.262 12 1HB ALA 2 1HB ALA 2 6.764 -1.349 11.250 13 2HB ALA 2 2HB ALA 2 6.860 -0.427 9.727 14 3HB ALA 2 3HB ALA 2 6.048 -1.998 9.767 15 H ARG 3 H ARG 3 6.975 -3.901 8.474 16 HA ARG 3 HA ARG 3 8.392 -3.376 5.912 17 1HB ARG 3 1HB ARG 3 6.450 -5.434 6.937 18 2HB ARG 3 2HB ARG 3 6.516 -5.119 5.211 19 1HG ARG 3 1HG ARG 3 8.759 -5.771 5.030 20 2HG ARG 3 2HG ARG 3 9.096 -5.469 6.746 21 1HD ARG 3 1HD ARG 3 9.170 -7.667 6.813 22 2HD ARG 3 2HD ARG 3 7.433 -7.521 7.113 23 HE ARG 3 HE ARG 3 7.901 -7.701 4.314 24 1HH1 ARG 3 2HH2 ARG 3 8.546 -9.731 7.157 25 2HH1 ARG 3 1HH2 ARG 3 8.402 -11.222 6.264 26 1HH2 ARG 3 2HH1 ARG 3 7.830 -9.684 3.158 27 2HH2 ARG 3 1HH1 ARG 3 7.971 -11.178 3.985 28 H VAL 4 H VAL 4 7.536 -2.452 4.198 29 HA VAL 4 HA VAL 4 5.085 -0.834 4.612 30 HB VAL 4 HB VAL 4 7.657 0.019 4.258 31 1HG1 VAL 4 1HG1 VAL 4 7.754 -0.970 2.013 32 2HG1 VAL 4 2HG1 VAL 4 6.591 0.263 1.482 33 3HG1 VAL 4 3HG1 VAL 4 8.198 0.735 2.130 34 1HG2 VAL 4 1HG2 VAL 4 5.107 1.403 3.480 35 2HG2 VAL 4 2HG2 VAL 4 6.206 1.649 4.873 36 3HG2 VAL 4 3HG2 VAL 4 6.697 2.187 3.302 37 H ALA 5 H ALA 5 3.406 -1.211 3.071 38 HA ALA 5 HA ALA 5 4.076 -3.109 0.845 39 1HB ALA 5 1HB ALA 5 1.621 -3.340 0.605 40 2HB ALA 5 2HB ALA 5 2.247 -3.939 2.134 41 3HB ALA 5 3HB ALA 5 1.398 -2.370 2.084 42 H ILE 6 H ILE 6 3.749 -2.340 -1.289 43 HA ILE 6 HA ILE 6 2.798 0.449 -1.575 44 HB ILE 6 HB ILE 6 5.030 -0.722 -3.179 45 1HG1 ILE 6 1HG1 ILE 6 6.252 1.257 -1.882 46 2HG1 ILE 6 2HG1 ILE 6 5.119 0.823 -0.616 47 1HG2 ILE 6 1HG2 ILE 6 3.982 2.105 -3.009 48 2HG2 ILE 6 2HG2 ILE 6 5.346 1.528 -3.996 49 3HG2 ILE 6 3HG2 ILE 6 3.720 0.966 -4.357 50 1HD1 ILE 6 1HD1 ILE 6 7.395 -0.353 -0.551 51 2HD1 ILE 6 2HD1 ILE 6 6.025 -1.452 -0.523 52 3HD1 ILE 6 3HD1 ILE 6 6.944 -1.199 -2.028 53 HA PRO 7 HA PRO 7 -0.032 -1.856 -4.208 54 1HB PRO 7 1HB PRO 7 -1.758 0.214 -4.712 55 2HB PRO 7 2HB PRO 7 -1.559 -0.535 -3.091 56 1HG PRO 7 1HG PRO 7 -0.444 2.066 -4.129 57 2HG PRO 7 2HG PRO 7 -1.079 1.707 -2.492 58 1HD PRO 7 1HD PRO 7 1.484 1.702 -3.203 59 2HD PRO 7 2HD PRO 7 0.791 0.838 -1.772 60 H SER 8 H SER 8 1.404 -2.351 -5.904 61 HA SER 8 HA SER 8 2.080 -0.324 -7.936 62 1HB SER 8 1HB SER 8 3.717 -2.013 -7.031 63 2HB SER 8 2HB SER 8 2.699 -3.317 -7.648 64 HG SER 8 HG SER 8 4.171 -3.036 -9.194 65 H VAL 9 H VAL 9 1.781 -0.946 -10.211 66 HA VAL 9 HA VAL 9 -0.402 -2.886 -10.744 67 HB VAL 9 HB VAL 9 -1.129 -1.570 -12.675 68 1HG1 VAL 9 1HG1 VAL 9 -2.258 0.234 -11.523 69 2HG1 VAL 9 2HG1 VAL 9 -2.135 -1.142 -10.391 70 3HG1 VAL 9 3HG1 VAL 9 -1.031 0.254 -10.256 71 1HG2 VAL 9 1HG2 VAL 9 -0.373 0.617 -13.215 72 2HG2 VAL 9 2HG2 VAL 9 0.598 0.759 -11.758 73 3HG2 VAL 9 3HG2 VAL 9 1.103 -0.335 -13.073 74 H GLY 10 H GLY 10 2.385 -3.427 -10.428 75 1HA GLY 10 1HA GLY 10 2.364 -5.413 -12.383 76 2HA GLY 10 2HA GLY 10 3.526 -4.207 -12.915 77 H LYS 11 H LYS 11 4.595 -6.498 -12.462 78 HA LYS 11 HA LYS 11 5.317 -6.957 -9.630 79 1HB LYS 11 1HB LYS 11 6.094 -9.188 -10.504 80 2HB LYS 11 2HB LYS 11 4.360 -8.874 -10.520 81 1HG LYS 11 1HG LYS 11 4.351 -8.473 -12.892 82 2HG LYS 11 2HG LYS 11 6.123 -8.613 -12.959 83 1HD LYS 11 1HD LYS 11 5.990 -10.977 -12.330 84 2HD LYS 11 2HD LYS 11 4.272 -10.805 -11.922 85 1HE LYS 11 1HE LYS 11 3.868 -10.179 -14.364 86 2HE LYS 11 2HE LYS 11 5.520 -10.732 -14.700 87 1HZ LYS 11 1HZ LYS 11 4.866 -12.916 -13.862 88 2HZ LYS 11 2HZ LYS 11 3.383 -12.349 -13.431 89 3HZ LYS 11 3HZ LYS 11 3.789 -12.465 -15.014 90 H ASP 12 H ASP 12 6.447 -4.708 -10.542 91 HA ASP 12 HA ASP 12 9.316 -5.444 -10.729 92 1HB ASP 12 1HB ASP 12 8.128 -4.729 -13.000 93 2HB ASP 12 2HB ASP 12 8.252 -3.122 -12.301 94 H LEU 13 H LEU 13 10.634 -3.722 -10.028 95 HA LEU 13 HA LEU 13 9.541 -2.191 -7.763 96 1HB LEU 13 1HB LEU 13 11.774 -3.656 -8.017 97 2HB LEU 13 2HB LEU 13 12.364 -2.186 -8.769 98 HG LEU 13 HG LEU 13 13.075 -2.357 -6.462 99 1HD1 LEU 13 1HD1 LEU 13 12.459 -0.114 -7.459 100 2HD1 LEU 13 2HD1 LEU 13 10.985 -0.175 -6.497 101 3HD1 LEU 13 3HD1 LEU 13 12.563 -0.185 -5.686 102 1HD2 LEU 13 1HD2 LEU 13 10.175 -2.329 -5.585 103 2HD2 LEU 13 2HD2 LEU 13 11.217 -3.755 -5.607 104 3HD2 LEU 13 3HD2 LEU 13 11.629 -2.397 -4.555 105 H SER 14 H SER 14 10.388 -1.864 -11.152 106 HA SER 14 HA SER 14 9.662 1.022 -10.883 107 1HB SER 14 1HB SER 14 10.698 1.001 -13.255 108 2HB SER 14 2HB SER 14 11.638 1.331 -11.802 109 HG SER 14 HG SER 14 12.523 -0.595 -11.815 110 H SER 15 H SER 15 7.718 -1.097 -10.758 111 HA SER 15 HA SER 15 6.335 -0.436 -13.276 112 1HB SER 15 1HB SER 15 5.624 -2.222 -10.901 113 2HB SER 15 2HB SER 15 4.386 -1.686 -12.036 114 HG SER 15 HG SER 15 5.447 -2.658 -13.706 115 H MET 16 H MET 16 4.136 0.596 -12.961 116 HA MET 16 HA MET 16 4.490 3.060 -11.563 117 1HB MET 16 1HB MET 16 2.450 1.688 -13.331 118 2HB MET 16 2HB MET 16 1.850 2.987 -12.351 119 1HG MET 16 1HG MET 16 4.307 3.927 -13.507 120 2HG MET 16 2HG MET 16 3.418 3.088 -14.776 121 1HE MET 16 1HE MET 16 1.917 4.975 -11.613 122 2HE MET 16 2HE MET 16 3.341 5.930 -12.049 123 3HE MET 16 3HE MET 16 1.692 6.578 -12.310 124 H VAL 17 H VAL 17 3.483 3.888 -9.720 125 HA VAL 17 HA VAL 17 2.098 1.916 -8.034 126 HB VAL 17 HB VAL 17 2.940 4.731 -7.184 127 1HG1 VAL 17 1HG1 VAL 17 1.524 3.851 -5.472 128 2HG1 VAL 17 2HG1 VAL 17 2.056 2.174 -5.788 129 3HG1 VAL 17 3HG1 VAL 17 3.167 3.261 -5.030 130 1HG2 VAL 17 1HG2 VAL 17 4.906 3.637 -6.284 131 2HG2 VAL 17 2HG2 VAL 17 4.424 2.107 -7.101 132 3HG2 VAL 17 3HG2 VAL 17 4.783 3.593 -8.021 133 H SER 18 H SER 18 0.132 2.196 -7.100 134 HA SER 18 HA SER 18 -1.799 3.385 -8.958 135 1HB SER 18 1HB SER 18 -1.394 0.860 -8.370 136 2HB SER 18 2HB SER 18 -2.190 1.188 -6.876 137 HG SER 18 HG SER 18 -3.492 0.408 -8.744 138 H ASP 19 H ASP 19 -3.208 4.930 -8.296 139 HA ASP 19 HA ASP 19 -2.701 6.180 -5.801 140 1HB ASP 19 1HB ASP 19 -5.039 6.626 -7.726 141 2HB ASP 19 2HB ASP 19 -4.552 7.753 -6.468 142 H ARG 20 H ARG 20 -3.670 3.544 -5.233 143 HA ARG 20 HA ARG 20 -6.204 3.771 -3.797 144 1HB ARG 20 1HB ARG 20 -7.180 1.946 -5.487 145 2HB ARG 20 2HB ARG 20 -7.454 3.664 -5.696 146 1HG ARG 20 1HG ARG 20 -5.575 3.685 -7.411 147 2HG ARG 20 2HG ARG 20 -5.384 1.950 -7.133 148 1HD ARG 20 1HD ARG 20 -6.669 2.280 -9.114 149 2HD ARG 20 2HD ARG 20 -7.768 1.666 -7.879 150 HE ARG 20 HE ARG 20 -7.909 4.472 -7.730 151 1HH1 ARG 20 2HH2 ARG 20 -8.435 2.099 -10.267 152 2HH1 ARG 20 1HH2 ARG 20 -9.721 2.927 -11.043 153 1HH2 ARG 20 2HH1 ARG 20 -9.592 5.669 -8.754 154 2HH2 ARG 20 1HH1 ARG 20 -10.475 4.973 -10.083 155 H PHE 21 H PHE 21 -4.973 2.770 -2.137 156 HA PHE 21 HA PHE 21 -3.454 0.484 -2.288 157 1HB PHE 21 1HB PHE 21 -3.772 1.673 -0.165 158 2HB PHE 21 2HB PHE 21 -5.485 1.334 -0.206 159 HD1 PHE 21 HD1 PHE 21 -2.540 -0.923 -0.781 160 HD2 PHE 21 HD2 PHE 21 -6.077 -0.105 1.593 161 HE1 PHE 21 HE1 PHE 21 -2.232 -3.030 0.389 162 HE2 PHE 21 HE2 PHE 21 -5.635 -2.152 2.894 163 HZ PHE 21 HZ PHE 21 -3.730 -3.636 2.318 164 H ALA 22 H ALA 22 -6.953 0.386 -1.571 165 HA ALA 22 HA ALA 22 -7.003 -2.448 -1.581 166 1HB ALA 22 1HB ALA 22 -8.447 -0.948 -0.214 167 2HB ALA 22 2HB ALA 22 -9.347 -0.500 -1.681 168 3HB ALA 22 3HB ALA 22 -9.366 -2.172 -1.088 169 H ARG 23 H ARG 23 -6.743 -0.549 -4.360 170 HA ARG 23 HA ARG 23 -7.803 -2.629 -6.083 171 1HB ARG 23 1HB ARG 23 -8.540 0.257 -5.996 172 2HB ARG 23 2HB ARG 23 -8.097 -0.458 -7.535 173 1HG ARG 23 1HG ARG 23 -10.053 -1.782 -5.657 174 2HG ARG 23 2HG ARG 23 -10.584 -0.515 -6.741 175 1HD ARG 23 1HD ARG 23 -9.185 -2.967 -7.853 176 2HD ARG 23 2HD ARG 23 -10.888 -3.005 -7.438 177 HE ARG 23 HE ARG 23 -11.442 -1.646 -9.198 178 1HH1 ARG 23 2HH2 ARG 23 -7.902 -2.013 -9.165 179 2HH1 ARG 23 1HH2 ARG 23 -7.736 -1.495 -10.772 180 1HH2 ARG 23 2HH1 ARG 23 -11.123 -1.002 -11.394 181 2HH2 ARG 23 1HH1 ARG 23 -9.505 -0.525 -11.886 182 H ALA 24 H ALA 24 -5.308 -2.884 -5.313 183 HA ALA 24 HA ALA 24 -3.861 -1.533 -7.483 184 1HB ALA 24 1HB ALA 24 -2.954 -1.554 -4.876 185 2HB ALA 24 2HB ALA 24 -2.266 -3.076 -5.424 186 3HB ALA 24 3HB ALA 24 -1.854 -1.574 -6.263 187 H GLU 25 H GLU 25 -2.039 -3.395 -8.213 188 HA GLU 25 HA GLU 25 -3.657 -5.913 -8.561 189 1HB GLU 25 1HB GLU 25 -2.153 -4.194 -10.505 190 2HB GLU 25 2HB GLU 25 -2.238 -5.955 -10.771 191 1HG GLU 25 1HG GLU 25 -4.871 -5.443 -10.273 192 2HG GLU 25 2HG GLU 25 -4.388 -3.879 -10.920 193 H TYR 26 H TYR 26 -0.590 -4.530 -7.580 194 HA TYR 26 HA TYR 26 0.350 -7.187 -6.931 195 1HB TYR 26 1HB TYR 26 1.801 -5.084 -8.601 196 2HB TYR 26 2HB TYR 26 2.652 -6.403 -7.774 197 HD1 TYR 26 HD1 TYR 26 2.321 -8.769 -8.535 198 HD2 TYR 26 HD2 TYR 26 0.460 -5.477 -10.590 199 HE1 TYR 26 HE1 TYR 26 1.769 -10.266 -10.435 200 HE2 TYR 26 HE2 TYR 26 -0.047 -6.915 -12.498 201 HH TYR 26 HH TYR 26 0.384 -10.473 -12.297 202 H PHE 27 H PHE 27 1.626 -7.030 -5.054 203 HA PHE 27 HA PHE 27 1.620 -4.393 -3.640 204 1HB PHE 27 1HB PHE 27 0.712 -7.067 -2.534 205 2HB PHE 27 2HB PHE 27 1.120 -5.660 -1.553 206 HD1 PHE 27 HD1 PHE 27 -1.622 -7.363 -2.737 207 HD2 PHE 27 HD2 PHE 27 -0.034 -3.378 -2.532 208 HE1 PHE 27 HE1 PHE 27 -3.920 -6.430 -2.986 209 HE2 PHE 27 HE2 PHE 27 -2.324 -2.455 -2.689 210 HZ PHE 27 HZ PHE 27 -4.264 -3.977 -3.005 211 H ILE 28 H ILE 28 3.675 -3.983 -3.748 212 HA ILE 28 HA ILE 28 5.872 -5.996 -3.389 213 HB ILE 28 HB ILE 28 5.958 -2.956 -3.786 214 1HG1 ILE 28 1HG1 ILE 28 4.703 -3.603 -5.689 215 2HG1 ILE 28 2HG1 ILE 28 6.351 -3.439 -6.243 216 1HG2 ILE 28 1HG2 ILE 28 8.233 -3.555 -4.752 217 2HG2 ILE 28 2HG2 ILE 28 8.032 -3.905 -3.040 218 3HG2 ILE 28 3HG2 ILE 28 7.947 -5.214 -4.248 219 1HD1 ILE 28 1HD1 ILE 28 5.357 -5.380 -7.269 220 2HD1 ILE 28 2HD1 ILE 28 6.632 -5.892 -6.143 221 3HD1 ILE 28 3HD1 ILE 28 4.919 -6.071 -5.699 222 H ILE 29 H ILE 29 6.470 -6.506 -1.496 223 HA ILE 29 HA ILE 29 5.937 -4.630 0.767 224 HB ILE 29 HB ILE 29 6.198 -7.642 0.716 225 1HG1 ILE 29 1HG1 ILE 29 3.936 -5.784 1.613 226 2HG1 ILE 29 2HG1 ILE 29 4.002 -6.608 0.057 227 1HG2 ILE 29 1HG2 ILE 29 5.856 -7.460 3.234 228 2HG2 ILE 29 2HG2 ILE 29 7.419 -6.869 2.654 229 3HG2 ILE 29 3HG2 ILE 29 6.149 -5.710 3.061 230 1HD1 ILE 29 1HD1 ILE 29 4.243 -8.794 1.388 231 2HD1 ILE 29 2HD1 ILE 29 3.653 -7.867 2.769 232 3HD1 ILE 29 3HD1 ILE 29 2.660 -8.021 1.313 233 H TYR 30 H TYR 30 7.656 -3.591 1.319 234 HA TYR 30 HA TYR 30 10.413 -4.658 0.768 235 1HB TYR 30 1HB TYR 30 9.772 -2.375 -0.185 236 2HB TYR 30 2HB TYR 30 9.447 -1.855 1.434 237 HD1 TYR 30 HD1 TYR 30 11.089 -1.140 2.963 238 HD2 TYR 30 HD2 TYR 30 12.199 -3.018 -0.750 239 HE1 TYR 30 HE1 TYR 30 13.453 -0.631 3.431 240 HE2 TYR 30 HE2 TYR 30 14.614 -2.539 -0.271 241 HH TYR 30 HH TYR 30 15.552 -0.867 2.784 242 H ASP 31 H ASP 31 11.590 -5.232 2.424 243 HA ASP 31 HA ASP 31 10.736 -4.962 5.238 244 1HB ASP 31 1HB ASP 31 12.619 -6.637 3.708 245 2HB ASP 31 2HB ASP 31 13.341 -6.029 5.183 246 H THR 32 H THR 32 11.322 -3.232 6.554 247 HA THR 32 HA THR 32 13.839 -1.789 5.810 248 HB THR 32 HB THR 32 13.257 -0.135 7.399 249 HG1 THR 32 HG1 THR 32 12.314 -1.691 8.810 250 1HG2 THR 32 1HG2 THR 32 12.160 0.030 5.156 251 2HG2 THR 32 2HG2 THR 32 10.709 -0.748 5.806 252 3HG2 THR 32 3HG2 THR 32 11.240 0.829 6.419 253 H GLU 33 H GLU 33 14.125 -4.338 6.273 254 HA GLU 33 HA GLU 33 15.828 -4.489 8.659 255 1HB GLU 33 1HB GLU 33 13.688 -6.511 7.889 256 2HB GLU 33 2HB GLU 33 15.124 -7.004 8.764 257 1HG GLU 33 1HG GLU 33 13.498 -4.742 9.918 258 2HG GLU 33 2HG GLU 33 12.846 -6.380 10.006 259 H SER 34 H SER 34 15.093 -7.079 6.394 260 HA SER 34 HA SER 34 17.951 -6.750 5.928 261 1HB SER 34 1HB SER 34 16.473 -8.884 6.637 262 2HB SER 34 2HB SER 34 16.505 -9.190 4.894 263 HG SER 34 HG SER 34 18.656 -9.426 4.982 264 H GLY 35 H GLY 35 16.460 -4.915 4.507 265 1HA GLY 35 1HA GLY 35 15.893 -3.933 2.557 266 2HA GLY 35 2HA GLY 35 17.301 -4.759 1.898 267 H ASN 36 H ASN 36 15.037 -7.075 2.840 268 HA ASN 36 HA ASN 36 14.894 -8.022 0.178 269 1HB ASN 36 1HB ASN 36 15.019 -9.417 2.288 270 2HB ASN 36 2HB ASN 36 13.360 -8.903 2.647 271 1HD2 ASN 36 1HD2 ASN 36 15.202 -11.414 1.089 272 2HD2 ASN 36 2HD2 ASN 36 13.858 -11.969 0.092 273 H VAL 37 H VAL 37 13.229 -8.189 -1.233 274 HA VAL 37 HA VAL 37 10.725 -6.836 -0.545 275 HB VAL 37 HB VAL 37 11.490 -6.768 -3.416 276 1HG1 VAL 37 1HG1 VAL 37 10.222 -4.782 -1.463 277 2HG1 VAL 37 2HG1 VAL 37 10.295 -4.597 -3.231 278 3HG1 VAL 37 3HG1 VAL 37 9.305 -5.891 -2.522 279 1HG2 VAL 37 1HG2 VAL 37 12.602 -4.534 -3.103 280 2HG2 VAL 37 2HG2 VAL 37 12.821 -4.957 -1.387 281 3HG2 VAL 37 3HG2 VAL 37 13.591 -5.942 -2.638 282 H GLU 38 H GLU 38 8.864 -7.650 -1.541 283 HA GLU 38 HA GLU 38 8.997 -10.357 -2.776 284 1HB GLU 38 1HB GLU 38 8.727 -10.607 -0.396 285 2HB GLU 38 2HB GLU 38 7.513 -9.338 -0.315 286 1HG GLU 38 1HG GLU 38 6.161 -11.163 -0.177 287 2HG GLU 38 2HG GLU 38 6.121 -10.872 -1.904 288 H VAL 39 H VAL 39 7.643 -10.404 -4.528 289 HA VAL 39 HA VAL 39 5.598 -8.278 -4.853 290 HB VAL 39 HB VAL 39 6.244 -10.530 -6.792 291 1HG1 VAL 39 1HG1 VAL 39 4.030 -9.526 -7.087 292 2HG1 VAL 39 2HG1 VAL 39 4.724 -7.902 -7.142 293 3HG1 VAL 39 3HG1 VAL 39 5.089 -9.091 -8.403 294 1HG2 VAL 39 1HG2 VAL 39 8.294 -9.234 -6.607 295 2HG2 VAL 39 2HG2 VAL 39 7.507 -8.927 -8.151 296 3HG2 VAL 39 3HG2 VAL 39 7.403 -7.732 -6.852 297 H VAL 40 H VAL 40 3.694 -8.689 -3.890 298 HA VAL 40 HA VAL 40 2.425 -11.376 -4.145 299 HB VAL 40 HB VAL 40 1.863 -8.831 -2.633 300 1HG1 VAL 40 1HG1 VAL 40 -0.443 -9.517 -2.099 301 2HG1 VAL 40 2HG1 VAL 40 -0.271 -9.149 -3.821 302 3HG1 VAL 40 3HG1 VAL 40 -0.330 -10.847 -3.271 303 1HG2 VAL 40 1HG2 VAL 40 2.962 -10.807 -1.586 304 2HG2 VAL 40 2HG2 VAL 40 1.433 -10.369 -0.791 305 3HG2 VAL 40 3HG2 VAL 40 1.506 -11.773 -1.889 306 H GLU 41 H GLU 41 0.932 -11.644 -5.700 307 HA GLU 41 HA GLU 41 0.134 -9.435 -7.551 308 1HB GLU 41 1HB GLU 41 0.967 -11.513 -8.642 309 2HB GLU 41 2HB GLU 41 -0.147 -12.475 -7.674 310 1HG GLU 41 1HG GLU 41 -2.080 -11.361 -8.746 311 2HG GLU 41 2HG GLU 41 -0.972 -10.388 -9.734 312 H ASN 42 H ASN 42 -2.163 -8.860 -7.434 313 HA ASN 42 HA ASN 42 -3.868 -10.496 -5.705 314 1HB ASN 42 1HB ASN 42 -2.396 -8.519 -4.472 315 2HB ASN 42 2HB ASN 42 -3.844 -7.640 -4.890 316 1HD2 ASN 42 1HD2 ASN 42 -2.797 -10.832 -3.582 317 2HD2 ASN 42 2HD2 ASN 42 -4.015 -10.901 -2.310 318 H THR 43 H THR 43 -5.675 -10.694 -6.800 319 HA THR 43 HA THR 43 -5.923 -8.988 -9.161 320 HB THR 43 HB THR 43 -7.197 -11.061 -9.932 321 HG1 THR 43 HG1 THR 43 -7.744 -11.784 -7.787 322 1HG2 THR 43 1HG2 THR 43 -4.386 -11.478 -8.796 323 2HG2 THR 43 2HG2 THR 43 -5.164 -12.497 -10.019 324 3HG2 THR 43 3HG2 THR 43 -4.786 -10.806 -10.387 325 H ILE 44 H ILE 44 -6.954 -7.433 -7.231 326 HA ILE 44 HA ILE 44 -9.702 -8.119 -6.599 327 HB ILE 44 HB ILE 44 -9.527 -5.611 -5.760 328 1HG1 ILE 44 1HG1 ILE 44 -7.097 -5.573 -6.830 329 2HG1 ILE 44 2HG1 ILE 44 -7.554 -4.665 -5.444 330 1HG2 ILE 44 1HG2 ILE 44 -10.068 -7.459 -4.357 331 2HG2 ILE 44 2HG2 ILE 44 -8.375 -8.023 -4.334 332 3HG2 ILE 44 3HG2 ILE 44 -8.832 -6.484 -3.559 333 1HD1 ILE 44 1HD1 ILE 44 -5.344 -5.825 -5.194 334 2HD1 ILE 44 2HD1 ILE 44 -6.484 -6.239 -3.916 335 3HD1 ILE 44 3HD1 ILE 44 -6.196 -7.378 -5.248 336 H ALA 45 H ALA 45 -11.080 -8.051 -8.133 337 HA ALA 45 HA ALA 45 -11.902 -5.460 -9.204 338 1HB ALA 45 1HB ALA 45 -12.282 -6.374 -11.492 339 2HB ALA 45 2HB ALA 45 -10.564 -6.249 -11.070 340 3HB ALA 45 3HB ALA 45 -11.372 -7.834 -11.047 341 H ASP 46 H ASP 46 -13.104 -6.308 -7.145 342 HA ASP 46 HA ASP 46 -15.682 -7.413 -7.944 343 1HB ASP 46 1HB ASP 46 -14.611 -9.476 -7.263 344 2HB ASP 46 2HB ASP 46 -13.824 -8.695 -5.896 345 H ALA 47 H ALA 47 -17.288 -6.623 -6.375 346 HA ALA 47 HA ALA 47 -16.313 -4.707 -4.325 347 1HB ALA 47 1HB ALA 47 -18.256 -4.085 -6.584 348 2HB ALA 47 2HB ALA 47 -17.714 -2.975 -5.302 349 3HB ALA 47 3HB ALA 47 -16.563 -3.547 -6.522 350 H HIS 48 H HIS 48 -17.385 -7.301 -3.932 351 HA HIS 48 HA HIS 48 -20.209 -7.095 -3.417 352 1HB HIS 48 1HB HIS 48 -18.345 -9.172 -3.813 353 2HB HIS 48 2HB HIS 48 -18.833 -9.367 -2.135 354 HD1 HIS 48 HD1 HIS 48 -21.408 -10.175 -1.773 355 HD2 HIS 48 HD2 HIS 48 -20.289 -9.083 -5.699 356 HE1 HIS 48 HE1 HIS 48 -23.334 -10.843 -3.295 357 H GLY 49 H GLY 49 -17.646 -5.936 -1.572 358 1HA GLY 49 1HA GLY 49 -17.707 -4.933 0.525 359 2HA GLY 49 2HA GLY 49 -19.372 -5.487 0.736 360 H THR 50 H THR 50 -17.072 -8.001 -0.152 361 HA THR 50 HA THR 50 -17.525 -9.171 2.522 362 HB THR 50 HB THR 50 -16.794 -10.391 -0.161 363 HG1 THR 50 HG1 THR 50 -19.277 -10.410 1.245 364 1HG2 THR 50 1HG2 THR 50 -16.064 -11.841 1.669 365 2HG2 THR 50 2HG2 THR 50 -17.658 -11.706 2.449 366 3HG2 THR 50 3HG2 THR 50 -17.483 -12.533 0.884 367 H GLY 51 H GLY 51 -15.830 -8.416 3.821 368 1HA GLY 51 1HA GLY 51 -13.899 -8.873 4.933 369 2HA GLY 51 2HA GLY 51 -13.560 -10.132 3.747 370 HA PRO 52 HA PRO 52 -10.552 -6.643 2.900 371 1HB PRO 52 1HB PRO 52 -8.349 -7.256 4.302 372 2HB PRO 52 2HB PRO 52 -9.717 -6.360 5.008 373 1HG PRO 52 1HG PRO 52 -8.915 -9.233 5.428 374 2HG PRO 52 2HG PRO 52 -9.620 -8.113 6.593 375 1HD PRO 52 1HD PRO 52 -11.221 -9.941 5.196 376 2HD PRO 52 2HD PRO 52 -11.779 -8.432 5.977 377 H LYS 53 H LYS 53 -9.415 -10.016 3.487 378 HA LYS 53 HA LYS 53 -8.111 -11.369 2.286 379 1HB LYS 53 1HB LYS 53 -9.317 -11.925 0.564 380 2HB LYS 53 2HB LYS 53 -9.951 -10.321 0.362 381 1HG LYS 53 1HG LYS 53 -7.823 -9.765 -1.005 382 2HG LYS 53 2HG LYS 53 -7.466 -11.493 -0.912 383 1HD LYS 53 1HD LYS 53 -8.574 -11.003 -2.983 384 2HD LYS 53 2HD LYS 53 -9.733 -11.885 -1.967 385 1HE LYS 53 1HE LYS 53 -10.769 -9.677 -1.276 386 2HE LYS 53 2HE LYS 53 -9.615 -8.825 -2.265 387 1HZ LYS 53 1HZ LYS 53 -11.816 -9.339 -3.369 388 2HZ LYS 53 2HZ LYS 53 -10.513 -9.911 -4.248 389 3HZ LYS 53 3HZ LYS 53 -11.423 -10.906 -3.347 390 H VAL 54 H VAL 54 -7.769 -8.210 0.605 391 HA VAL 54 HA VAL 54 -5.073 -8.586 0.009 392 HB VAL 54 HB VAL 54 -5.966 -6.958 -1.295 393 1HG1 VAL 54 1HG1 VAL 54 -7.356 -5.021 -0.622 394 2HG1 VAL 54 2HG1 VAL 54 -8.108 -6.585 -0.423 395 3HG1 VAL 54 3HG1 VAL 54 -7.481 -5.715 1.002 396 1HG2 VAL 54 1HG2 VAL 54 -5.020 -4.789 -0.887 397 2HG2 VAL 54 2HG2 VAL 54 -4.869 -5.106 0.838 398 3HG2 VAL 54 3HG2 VAL 54 -3.885 -6.026 -0.315 399 H VAL 55 H VAL 55 -6.393 -6.370 2.452 400 HA VAL 55 HA VAL 55 -4.132 -5.957 4.076 401 HB VAL 55 HB VAL 55 -6.798 -6.172 5.411 402 1HG1 VAL 55 1HG1 VAL 55 -4.928 -5.089 6.522 403 2HG1 VAL 55 2HG1 VAL 55 -4.735 -3.967 5.158 404 3HG1 VAL 55 3HG1 VAL 55 -6.193 -3.901 6.171 405 1HG2 VAL 55 1HG2 VAL 55 -7.615 -4.027 4.348 406 2HG2 VAL 55 2HG2 VAL 55 -6.381 -4.247 3.083 407 3HG2 VAL 55 3HG2 VAL 55 -7.692 -5.414 3.270 408 H GLN 56 H GLN 56 -6.569 -8.546 4.497 409 HA GLN 56 HA GLN 56 -5.555 -9.750 6.635 410 1HB GLN 56 1HB GLN 56 -7.284 -10.498 4.515 411 2HB GLN 56 2HB GLN 56 -6.236 -11.866 4.776 412 1HG GLN 56 1HG GLN 56 -7.287 -10.622 7.286 413 2HG GLN 56 2HG GLN 56 -8.507 -11.253 6.226 414 1HE2 GLN 56 1HE2 GLN 56 -8.979 -13.367 6.342 415 2HE2 GLN 56 2HE2 GLN 56 -7.956 -14.596 7.113 416 H SER 57 H SER 57 -4.438 -10.400 3.271 417 HA SER 57 HA SER 57 -2.377 -12.250 3.964 418 1HB SER 57 1HB SER 57 -3.705 -11.984 1.767 419 2HB SER 57 2HB SER 57 -2.665 -10.587 1.424 420 HG SER 57 HG SER 57 -1.980 -13.336 1.667 421 H LEU 58 H LEU 58 -2.294 -8.740 3.109 422 HA LEU 58 HA LEU 58 0.594 -8.648 3.079 423 1HB LEU 58 1HB LEU 58 -1.387 -6.390 3.541 424 2HB LEU 58 2HB LEU 58 0.319 -6.209 3.131 425 HG LEU 58 HG LEU 58 -1.793 -7.462 1.324 426 1HD1 LEU 58 1HD1 LEU 58 -0.373 -4.787 1.152 427 2HD1 LEU 58 2HD1 LEU 58 -1.564 -5.433 -0.006 428 3HD1 LEU 58 3HD1 LEU 58 -2.055 -5.047 1.653 429 1HD2 LEU 58 1HD2 LEU 58 1.040 -6.774 0.571 430 2HD2 LEU 58 2HD2 LEU 58 0.437 -8.431 0.890 431 3HD2 LEU 58 3HD2 LEU 58 -0.232 -7.505 -0.436 432 H VAL 59 H VAL 59 -1.824 -8.022 5.598 433 HA VAL 59 HA VAL 59 -0.096 -7.270 7.738 434 HB VAL 59 HB VAL 59 -2.889 -8.385 7.370 435 1HG1 VAL 59 1HG1 VAL 59 -3.335 -8.196 9.793 436 2HG1 VAL 59 2HG1 VAL 59 -2.200 -9.500 9.445 437 3HG1 VAL 59 3HG1 VAL 59 -1.597 -7.958 10.105 438 1HG2 VAL 59 1HG2 VAL 59 -3.472 -6.237 8.465 439 2HG2 VAL 59 2HG2 VAL 59 -1.739 -5.857 8.590 440 3HG2 VAL 59 3HG2 VAL 59 -2.544 -6.030 6.989 441 H SER 60 H SER 60 -1.183 -10.509 6.538 442 HA SER 60 HA SER 60 0.069 -12.054 8.493 443 1HB SER 60 1HB SER 60 -1.474 -12.797 6.607 444 2HB SER 60 2HB SER 60 -0.060 -12.768 5.537 445 HG SER 60 HG SER 60 0.907 -14.322 6.726 446 H LYS 61 H LYS 61 1.592 -10.200 5.850 447 HA LYS 61 HA LYS 61 4.204 -11.574 6.317 448 1HB LYS 61 1HB LYS 61 3.282 -9.699 4.130 449 2HB LYS 61 2HB LYS 61 4.847 -10.504 4.181 450 1HG LYS 61 1HG LYS 61 3.999 -12.565 3.518 451 2HG LYS 61 2HG LYS 61 2.447 -12.310 4.288 452 1HD LYS 61 1HD LYS 61 1.768 -12.151 2.132 453 2HD LYS 61 2HD LYS 61 2.049 -10.473 2.490 454 1HE LYS 61 1HE LYS 61 3.164 -10.561 0.502 455 2HE LYS 61 2HE LYS 61 4.515 -11.015 1.546 456 1HZ LYS 61 1HZ LYS 61 4.029 -12.456 -0.493 457 2HZ LYS 61 2HZ LYS 61 4.280 -13.235 0.929 458 3HZ LYS 61 3HZ LYS 61 2.756 -13.063 0.358 459 H GLY 62 H GLY 62 3.062 -9.828 8.294 460 1HA GLY 62 1HA GLY 62 3.704 -8.271 9.749 461 2HA GLY 62 2HA GLY 62 5.349 -8.531 9.102 462 H VAL 63 H VAL 63 2.999 -7.158 6.933 463 HA VAL 63 HA VAL 63 4.413 -4.652 6.723 464 HB VAL 63 HB VAL 63 1.706 -5.644 5.743 465 1HG1 VAL 63 1HG1 VAL 63 3.190 -3.178 4.778 466 2HG1 VAL 63 2HG1 VAL 63 1.597 -3.786 4.235 467 3HG1 VAL 63 3HG1 VAL 63 1.771 -3.129 5.843 468 1HG2 VAL 63 1HG2 VAL 63 4.303 -5.217 4.223 469 2HG2 VAL 63 2HG2 VAL 63 3.710 -6.797 4.783 470 3HG2 VAL 63 3HG2 VAL 63 2.773 -5.881 3.595 471 H GLU 64 H GLU 64 4.317 -3.125 8.383 472 HA GLU 64 HA GLU 64 1.563 -2.580 9.455 473 1HB GLU 64 1HB GLU 64 4.055 -2.097 11.078 474 2HB GLU 64 2HB GLU 64 2.367 -1.857 11.522 475 1HG GLU 64 1HG GLU 64 2.248 -4.508 10.933 476 2HG GLU 64 2HG GLU 64 3.934 -4.407 11.411 477 H TYR 65 H TYR 65 2.792 -1.357 7.063 478 HA TYR 65 HA TYR 65 2.718 1.401 7.622 479 1HB TYR 65 1HB TYR 65 5.313 0.143 6.632 480 2HB TYR 65 2HB TYR 65 4.774 1.792 6.308 481 HD1 TYR 65 HD1 TYR 65 4.087 1.605 9.769 482 HD2 TYR 65 HD2 TYR 65 7.288 1.930 6.895 483 HE1 TYR 65 HE1 TYR 65 5.478 2.620 11.471 484 HE2 TYR 65 HE2 TYR 65 8.641 3.142 8.577 485 HH TYR 65 HH TYR 65 8.858 3.605 10.917 486 H LEU 66 H LEU 66 2.698 2.360 5.272 487 HA LEU 66 HA LEU 66 2.567 0.575 3.007 488 1HB LEU 66 1HB LEU 66 0.510 -0.170 3.816 489 2HB LEU 66 2HB LEU 66 0.124 1.362 4.547 490 HG LEU 66 HG LEU 66 -0.424 2.379 2.452 491 1HD1 LEU 66 1HD1 LEU 66 0.390 -0.269 1.287 492 2HD1 LEU 66 2HD1 LEU 66 -0.972 0.600 0.518 493 3HD1 LEU 66 3HD1 LEU 66 0.580 1.356 0.567 494 1HD2 LEU 66 1HD2 LEU 66 -1.874 -0.300 2.738 495 2HD2 LEU 66 2HD2 LEU 66 -2.113 1.055 3.828 496 3HD2 LEU 66 3HD2 LEU 66 -2.545 1.234 2.134 497 H ILE 67 H ILE 67 2.414 1.820 1.079 498 HA ILE 67 HA ILE 67 2.447 4.791 1.387 499 HB ILE 67 HB ILE 67 4.000 2.970 -0.522 500 1HG1 ILE 67 1HG1 ILE 67 5.148 5.000 1.526 501 2HG1 ILE 67 2HG1 ILE 67 4.831 3.419 2.095 502 1HG2 ILE 67 1HG2 ILE 67 3.945 6.018 -0.057 503 2HG2 ILE 67 2HG2 ILE 67 5.135 5.197 -1.082 504 3HG2 ILE 67 3HG2 ILE 67 3.389 5.172 -1.475 505 1HD1 ILE 67 1HD1 ILE 67 6.355 2.370 0.581 506 2HD1 ILE 67 2HD1 ILE 67 6.695 3.901 -0.223 507 3HD1 ILE 67 3HD1 ILE 67 7.170 3.664 1.469 508 H ALA 68 H ALA 68 0.381 5.367 0.717 509 HA ALA 68 HA ALA 68 -0.592 4.455 -1.875 510 1HB ALA 68 1HB ALA 68 -2.764 3.633 -0.989 511 2HB ALA 68 2HB ALA 68 -1.398 2.594 -0.499 512 3HB ALA 68 3HB ALA 68 -2.129 3.718 0.671 513 H SER 69 H SER 69 -1.206 6.435 -2.625 514 HA SER 69 HA SER 69 -1.609 8.790 -1.169 515 1HB SER 69 1HB SER 69 -2.467 9.758 -3.205 516 2HB SER 69 2HB SER 69 -1.154 8.669 -3.594 517 HG SER 69 HG SER 69 -3.381 8.665 -4.679 518 H ASN 70 H ASN 70 -3.964 6.253 -1.836 519 HA ASN 70 HA ASN 70 -5.896 7.336 -0.045 520 1HB ASN 70 1HB ASN 70 -6.320 7.453 -3.068 521 2HB ASN 70 2HB ASN 70 -7.676 7.034 -2.034 522 1HD2 ASN 70 1HD2 ASN 70 -7.977 8.598 -0.026 523 2HD2 ASN 70 2HD2 ASN 70 -7.774 10.308 -0.445 524 H VAL 71 H VAL 71 -7.824 5.702 -0.118 525 HA VAL 71 HA VAL 71 -6.781 3.015 -0.651 526 HB VAL 71 HB VAL 71 -7.501 3.949 1.709 527 1HG1 VAL 71 1HG1 VAL 71 -10.179 2.999 0.712 528 2HG1 VAL 71 2HG1 VAL 71 -9.725 3.396 2.383 529 3HG1 VAL 71 3HG1 VAL 71 -9.778 4.680 1.162 530 1HG2 VAL 71 1HG2 VAL 71 -6.729 1.832 1.441 531 2HG2 VAL 71 2HG2 VAL 71 -8.254 1.640 2.301 532 3HG2 VAL 71 3HG2 VAL 71 -8.200 1.252 0.566 533 H GLY 72 H GLY 72 -8.353 1.531 -1.708 534 1HA GLY 72 1HA GLY 72 -9.624 2.858 -3.977 535 2HA GLY 72 2HA GLY 72 -9.570 1.115 -3.663 536 H ARG 73 H ARG 73 -10.560 1.246 -1.000 537 HA ARG 73 HA ARG 73 -12.811 2.538 -0.386 538 1HB ARG 73 1HB ARG 73 -13.682 0.977 -2.510 539 2HB ARG 73 2HB ARG 73 -13.875 -0.171 -1.205 540 1HG ARG 73 1HG ARG 73 -14.919 2.075 -0.019 541 2HG ARG 73 2HG ARG 73 -15.209 2.485 -1.699 542 1HD ARG 73 1HD ARG 73 -16.242 0.032 -0.199 543 2HD ARG 73 2HD ARG 73 -17.150 1.491 -0.613 544 HE ARG 73 HE ARG 73 -15.993 0.071 -2.909 545 1HH1 ARG 73 2HH2 ARG 73 -18.914 0.305 -0.812 546 2HH1 ARG 73 1HH2 ARG 73 -19.942 -0.332 -2.042 547 1HH2 ARG 73 2HH1 ARG 73 -17.290 -0.923 -4.300 548 2HH2 ARG 73 1HH1 ARG 73 -19.016 -1.155 -4.062 549 H ASN 74 H ASN 74 -14.155 0.347 0.917 550 HA ASN 74 HA ASN 74 -13.261 0.052 3.348 551 1HB ASN 74 1HB ASN 74 -15.279 -1.061 2.093 552 2HB ASN 74 2HB ASN 74 -14.255 -2.485 2.038 553 1HD2 ASN 74 1HD2 ASN 74 -13.246 -3.131 4.415 554 2HD2 ASN 74 2HD2 ASN 74 -14.310 -2.713 5.737 555 H ALA 75 H ALA 75 -11.209 -0.149 3.965 556 HA ALA 75 HA ALA 75 -9.875 -2.606 4.137 557 1HB ALA 75 1HB ALA 75 -7.856 -2.144 2.750 558 2HB ALA 75 2HB ALA 75 -9.283 -2.390 1.745 559 3HB ALA 75 3HB ALA 75 -8.674 -0.743 2.042 560 H PHE 76 H PHE 76 -9.683 0.950 4.056 561 HA PHE 76 HA PHE 76 -7.280 1.353 5.553 562 1HB PHE 76 1HB PHE 76 -8.152 3.115 4.272 563 2HB PHE 76 2HB PHE 76 -9.745 2.967 4.970 564 HD1 PHE 76 HD1 PHE 76 -10.371 4.161 6.898 565 HD2 PHE 76 HD2 PHE 76 -6.271 4.144 5.614 566 HE1 PHE 76 HE1 PHE 76 -9.930 6.170 8.302 567 HE2 PHE 76 HE2 PHE 76 -5.834 6.186 6.979 568 HZ PHE 76 HZ PHE 76 -7.697 7.217 8.295 569 H GLU 77 H GLU 77 -10.675 0.897 6.607 570 HA GLU 77 HA GLU 77 -10.058 1.272 9.390 571 1HB GLU 77 1HB GLU 77 -12.343 -0.040 7.939 572 2HB GLU 77 2HB GLU 77 -12.314 0.262 9.665 573 1HG GLU 77 1HG GLU 77 -12.279 2.324 7.423 574 2HG GLU 77 2HG GLU 77 -13.588 1.997 8.531 575 H THR 78 H THR 78 -9.570 -1.442 7.225 576 HA THR 78 HA THR 78 -9.046 -3.278 9.475 577 HB THR 78 HB THR 78 -8.842 -3.709 6.454 578 HG1 THR 78 HG1 THR 78 -10.961 -3.306 7.830 579 1HG2 THR 78 1HG2 THR 78 -9.047 -6.090 7.048 580 2HG2 THR 78 2HG2 THR 78 -7.518 -5.391 7.589 581 3HG2 THR 78 3HG2 THR 78 -8.805 -5.682 8.764 582 H LEU 79 H LEU 79 -7.362 -0.910 7.569 583 HA LEU 79 HA LEU 79 -4.678 -2.050 7.760 584 1HB LEU 79 1HB LEU 79 -5.665 0.757 7.209 585 2HB LEU 79 2HB LEU 79 -3.994 0.342 7.365 586 HG LEU 79 HG LEU 79 -5.718 -1.242 5.436 587 1HD1 LEU 79 1HD1 LEU 79 -4.328 0.327 3.712 588 2HD1 LEU 79 2HD1 LEU 79 -5.976 0.625 4.176 589 3HD1 LEU 79 3HD1 LEU 79 -4.654 1.488 4.997 590 1HD2 LEU 79 1HD2 LEU 79 -3.418 -2.137 6.121 591 2HD2 LEU 79 2HD2 LEU 79 -3.722 -1.959 4.402 592 3HD2 LEU 79 3HD2 LEU 79 -2.745 -0.772 5.241 593 H LYS 80 H LYS 80 -6.256 0.611 9.495 594 HA LYS 80 HA LYS 80 -4.453 0.734 11.677 595 1HB LYS 80 1HB LYS 80 -6.481 1.799 12.780 596 2HB LYS 80 2HB LYS 80 -5.799 2.557 11.368 597 1HG LYS 80 1HG LYS 80 -7.831 0.924 10.281 598 2HG LYS 80 2HG LYS 80 -8.481 1.308 11.848 599 1HD LYS 80 1HD LYS 80 -9.152 2.917 10.019 600 2HD LYS 80 2HD LYS 80 -8.374 3.617 11.411 601 1HE LYS 80 1HE LYS 80 -6.400 3.002 9.342 602 2HE LYS 80 2HE LYS 80 -7.760 3.886 8.670 603 1HZ LYS 80 1HZ LYS 80 -6.379 4.799 11.115 604 2HZ LYS 80 2HZ LYS 80 -6.135 5.441 9.598 605 3HZ LYS 80 3HZ LYS 80 -7.594 5.543 10.343 606 H ALA 81 H ALA 81 -7.333 -1.367 11.177 607 HA ALA 81 HA ALA 81 -7.492 -2.343 13.784 608 1HB ALA 81 1HB ALA 81 -9.073 -3.003 11.987 609 2HB ALA 81 2HB ALA 81 -7.804 -4.048 11.292 610 3HB ALA 81 3HB ALA 81 -8.445 -4.384 12.902 611 H ALA 82 H ALA 82 -5.099 -3.300 11.236 612 HA ALA 82 HA ALA 82 -3.699 -5.001 13.259 613 1HB ALA 82 1HB ALA 82 -4.072 -6.006 11.046 614 2HB ALA 82 2HB ALA 82 -3.402 -4.576 10.255 615 3HB ALA 82 3HB ALA 82 -2.352 -5.639 11.202 616 H GLY 83 H GLY 83 -3.744 -2.071 13.587 617 1HA GLY 83 1HA GLY 83 -2.448 -0.290 13.855 618 2HA GLY 83 2HA GLY 83 -1.198 -1.431 14.403 619 H VAL 84 H VAL 84 -2.423 -1.134 11.028 620 HA VAL 84 HA VAL 84 0.345 -0.810 10.224 621 HB VAL 84 HB VAL 84 -2.106 -1.074 8.460 622 1HG1 VAL 84 1HG1 VAL 84 0.580 -2.227 7.689 623 2HG1 VAL 84 2HG1 VAL 84 -0.749 -1.692 6.694 624 3HG1 VAL 84 3HG1 VAL 84 0.301 -0.494 7.452 625 1HG2 VAL 84 1HG2 VAL 84 -0.468 -3.335 9.639 626 2HG2 VAL 84 2HG2 VAL 84 -2.114 -2.895 10.031 627 3HG2 VAL 84 3HG2 VAL 84 -1.764 -3.471 8.413 628 H LYS 85 H LYS 85 1.293 1.100 9.844 629 HA LYS 85 HA LYS 85 -0.342 3.445 9.667 630 1HB LYS 85 1HB LYS 85 1.458 4.241 10.652 631 2HB LYS 85 2HB LYS 85 2.430 2.874 10.245 632 1HG LYS 85 1HG LYS 85 3.503 3.934 8.475 633 2HG LYS 85 2HG LYS 85 2.154 4.998 8.133 634 1HD LYS 85 1HD LYS 85 3.696 6.439 8.992 635 2HD LYS 85 2HD LYS 85 2.519 6.166 10.275 636 1HE LYS 85 1HE LYS 85 4.218 4.487 11.243 637 2HE LYS 85 2HE LYS 85 5.378 5.200 10.094 638 1HZ LYS 85 1HZ LYS 85 5.611 6.479 12.024 639 2HZ LYS 85 2HZ LYS 85 4.473 7.413 11.210 640 3HZ LYS 85 3HZ LYS 85 4.028 6.384 12.383 641 H VAL 86 H VAL 86 -0.033 5.052 7.836 642 HA VAL 86 HA VAL 86 0.338 3.795 5.163 643 HB VAL 86 HB VAL 86 -2.132 5.437 5.884 644 1HG1 VAL 86 1HG1 VAL 86 -1.031 4.296 3.284 645 2HG1 VAL 86 2HG1 VAL 86 -2.758 4.547 3.480 646 3HG1 VAL 86 3HG1 VAL 86 -1.649 5.916 3.593 647 1HG2 VAL 86 1HG2 VAL 86 -2.349 3.162 6.770 648 2HG2 VAL 86 2HG2 VAL 86 -3.308 3.247 5.291 649 3HG2 VAL 86 3HG2 VAL 86 -1.681 2.524 5.260 650 H TYR 87 H TYR 87 1.177 5.266 3.676 651 HA TYR 87 HA TYR 87 1.538 8.091 4.457 652 1HB TYR 87 1HB TYR 87 3.173 6.059 2.944 653 2HB TYR 87 2HB TYR 87 3.370 7.719 2.531 654 HD1 TYR 87 HD1 TYR 87 4.314 9.306 4.146 655 HD2 TYR 87 HD2 TYR 87 3.763 5.177 5.211 656 HE1 TYR 87 HE1 TYR 87 5.958 9.601 5.871 657 HE2 TYR 87 HE2 TYR 87 5.302 5.475 7.150 658 HH TYR 87 HH TYR 87 7.511 8.037 7.225 659 H ARG 88 H ARG 88 1.387 9.555 2.770 660 HA ARG 88 HA ARG 88 -0.445 9.036 0.507 661 1HB ARG 88 1HB ARG 88 -0.434 11.202 1.843 662 2HB ARG 88 2HB ARG 88 1.246 11.425 1.424 663 1HG ARG 88 1HG ARG 88 0.645 12.695 -0.274 664 2HG ARG 88 2HG ARG 88 0.044 11.272 -1.090 665 1HD ARG 88 1HD ARG 88 -2.180 11.624 -0.364 666 2HD ARG 88 2HD ARG 88 -1.693 12.860 0.800 667 HE ARG 88 HE ARG 88 -1.771 13.114 -2.172 668 1HH1 ARG 88 2HH2 ARG 88 -1.035 14.968 0.718 669 2HH1 ARG 88 1HH2 ARG 88 -2.009 16.313 0.296 670 1HH2 ARG 88 2HH1 ARG 88 -2.373 15.206 -2.963 671 2HH2 ARG 88 1HH1 ARG 88 -3.002 16.371 -1.841 672 H PHE 89 H PHE 89 0.447 8.989 -1.641 673 HA PHE 89 HA PHE 89 3.228 9.783 -2.032 674 1HB PHE 89 1HB PHE 89 3.860 7.777 -2.754 675 2HB PHE 89 2HB PHE 89 2.268 7.111 -2.531 676 HD1 PHE 89 HD1 PHE 89 4.724 7.326 -5.070 677 HD2 PHE 89 HD2 PHE 89 0.470 7.825 -4.415 678 HE1 PHE 89 HE1 PHE 89 4.284 6.823 -7.329 679 HE2 PHE 89 HE2 PHE 89 0.075 7.459 -6.806 680 HZ PHE 89 HZ PHE 89 2.012 6.975 -8.321 681 H GLU 90 H GLU 90 3.323 10.581 -4.515 682 HA GLU 90 HA GLU 90 0.712 11.148 -5.572 683 1HB GLU 90 1HB GLU 90 0.990 12.928 -3.728 684 2HB GLU 90 2HB GLU 90 2.232 13.657 -4.759 685 1HG GLU 90 1HG GLU 90 0.516 13.816 -6.601 686 2HG GLU 90 2HG GLU 90 -0.639 12.977 -5.576 687 H GLY 91 H GLY 91 2.405 9.691 -6.734 688 1HA GLY 91 1HA GLY 91 2.574 9.823 -9.122 689 2HA GLY 91 2HA GLY 91 3.456 11.337 -9.005 690 H GLY 92 H GLY 92 3.938 8.126 -9.724 691 1HA GLY 92 1HA GLY 92 6.683 8.081 -9.818 692 2HA GLY 92 2HA GLY 92 6.299 7.680 -8.132 693 H THR 93 H THR 93 7.730 5.938 -9.767 694 HA THR 93 HA THR 93 5.921 3.645 -10.083 695 HB THR 93 HB THR 93 8.034 2.466 -10.606 696 HG1 THR 93 HG1 THR 93 9.934 3.941 -10.817 697 1HG2 THR 93 1HG2 THR 93 8.029 5.006 -12.225 698 2HG2 THR 93 2HG2 THR 93 8.605 3.409 -12.718 699 3HG2 THR 93 3HG2 THR 93 6.867 3.678 -12.470 700 H VAL 94 H VAL 94 6.771 1.600 -8.939 701 HA VAL 94 HA VAL 94 6.517 1.791 -6.227 702 HB VAL 94 HB VAL 94 8.003 -0.299 -7.839 703 1HG1 VAL 94 1HG1 VAL 94 8.733 -0.432 -5.459 704 2HG1 VAL 94 2HG1 VAL 94 7.029 -0.541 -4.964 705 3HG1 VAL 94 3HG1 VAL 94 7.771 -1.803 -5.978 706 1HG2 VAL 94 1HG2 VAL 94 5.571 -0.010 -8.345 707 2HG2 VAL 94 2HG2 VAL 94 5.957 -1.567 -7.631 708 3HG2 VAL 94 3HG2 VAL 94 5.215 -0.289 -6.636 709 H GLN 95 H GLN 95 9.725 2.072 -7.912 710 HA GLN 95 HA GLN 95 11.098 2.265 -5.470 711 1HB GLN 95 1HB GLN 95 11.978 2.025 -7.954 712 2HB GLN 95 2HB GLN 95 12.009 3.788 -7.937 713 1HG GLN 95 1HG GLN 95 13.661 3.842 -6.193 714 2HG GLN 95 2HG GLN 95 13.400 2.146 -5.798 715 1HE2 GLN 95 1HE2 GLN 95 15.885 3.844 -6.865 716 2HE2 GLN 95 2HE2 GLN 95 16.450 2.843 -8.182 717 H GLU 96 H GLU 96 9.234 4.747 -6.992 718 HA GLU 96 HA GLU 96 10.525 7.039 -5.755 719 1HB GLU 96 1HB GLU 96 7.913 6.536 -7.161 720 2HB GLU 96 2HB GLU 96 8.366 8.135 -6.569 721 1HG GLU 96 1HG GLU 96 9.612 6.526 -8.821 722 2HG GLU 96 2HG GLU 96 8.776 8.084 -8.896 723 H ALA 97 H ALA 97 7.487 5.009 -5.244 724 HA ALA 97 HA ALA 97 6.551 6.190 -3.025 725 1HB ALA 97 1HB ALA 97 5.896 4.011 -4.253 726 2HB ALA 97 2HB ALA 97 7.159 3.202 -3.331 727 3HB ALA 97 3HB ALA 97 5.792 3.866 -2.496 728 H ILE 98 H ILE 98 9.539 4.291 -3.214 729 HA ILE 98 HA ILE 98 9.823 4.170 -0.310 730 HB ILE 98 HB ILE 98 11.883 3.311 -2.396 731 1HG1 ILE 98 1HG1 ILE 98 10.049 2.498 -3.304 732 2HG1 ILE 98 2HG1 ILE 98 10.855 1.118 -2.573 733 1HG2 ILE 98 1HG2 ILE 98 11.114 2.128 0.327 734 2HG2 ILE 98 2HG2 ILE 98 12.403 1.528 -0.748 735 3HG2 ILE 98 3HG2 ILE 98 12.544 3.133 -0.012 736 1HD1 ILE 98 1HD1 ILE 98 9.159 1.103 -0.748 737 2HD1 ILE 98 2HD1 ILE 98 8.293 2.474 -1.485 738 3HD1 ILE 98 3HD1 ILE 98 8.437 0.949 -2.371 739 H ASP 99 H ASP 99 11.579 5.506 -3.143 740 HA ASP 99 HA ASP 99 13.701 6.847 -1.801 741 1HB ASP 99 1HB ASP 99 12.448 6.917 -4.529 742 2HB ASP 99 2HB ASP 99 13.315 8.361 -4.021 743 H ALA 100 H ALA 100 10.323 7.575 -2.259 744 HA ALA 100 HA ALA 100 10.615 10.357 -1.352 745 1HB ALA 100 1HB ALA 100 8.208 10.430 -1.599 746 2HB ALA 100 2HB ALA 100 8.912 9.665 -3.026 747 3HB ALA 100 3HB ALA 100 8.133 8.653 -1.809 748 H PHE 101 H PHE 101 9.063 7.358 0.000 749 HA PHE 101 HA PHE 101 8.527 8.375 2.565 750 1HB PHE 101 1HB PHE 101 7.457 6.443 2.117 751 2HB PHE 101 2HB PHE 101 8.819 5.700 1.287 752 HD1 PHE 101 HD1 PHE 101 7.307 6.229 4.625 753 HD2 PHE 101 HD2 PHE 101 10.440 4.314 2.357 754 HE1 PHE 101 HE1 PHE 101 7.774 4.719 6.531 755 HE2 PHE 101 HE2 PHE 101 10.882 2.792 4.251 756 HZ PHE 101 HZ PHE 101 9.556 2.979 6.341 757 H SER 102 H SER 102 11.392 6.736 1.396 758 HA SER 102 HA SER 102 12.659 6.265 3.892 759 1HB SER 102 1HB SER 102 14.682 5.828 2.565 760 2HB SER 102 2HB SER 102 13.231 5.109 1.811 761 HG SER 102 HG SER 102 13.221 6.521 0.265 762 H GLU 103 H GLU 103 13.231 8.860 1.478 763 HA GLU 103 HA GLU 103 14.764 10.520 3.390 764 1HB GLU 103 1HB GLU 103 13.580 10.839 0.568 765 2HB GLU 103 2HB GLU 103 14.613 12.025 1.259 766 1HG GLU 103 1HG GLU 103 15.730 9.204 1.098 767 2HG GLU 103 2HG GLU 103 15.384 10.021 -0.416 768 H GLY 104 H GLY 104 11.988 9.761 4.093 769 1HA GLY 104 1HA GLY 104 10.181 10.697 5.087 770 2HA GLY 104 2HA GLY 104 11.367 11.947 5.533 771 H ARG 105 H ARG 105 10.433 11.492 2.153 772 HA ARG 105 HA ARG 105 9.128 14.185 2.119 773 1HB ARG 105 1HB ARG 105 10.404 12.321 0.066 774 2HB ARG 105 2HB ARG 105 9.452 13.726 -0.408 775 1HG ARG 105 1HG ARG 105 10.946 15.249 0.452 776 2HG ARG 105 2HG ARG 105 11.758 14.121 1.515 777 1HD ARG 105 1HD ARG 105 13.116 13.270 -0.123 778 2HD ARG 105 2HD ARG 105 11.863 13.405 -1.368 779 HE ARG 105 HE ARG 105 13.029 15.909 -0.358 780 1HH1 ARG 105 2HH2 ARG 105 13.237 13.467 -2.908 781 2HH1 ARG 105 1HH2 ARG 105 13.647 14.608 -4.152 782 1HH2 ARG 105 2HH1 ARG 105 13.331 17.446 -2.036 783 2HH2 ARG 105 1HH1 ARG 105 13.416 16.919 -3.691 784 H LEU 106 H LEU 106 7.632 11.897 3.227 785 HA LEU 106 HA LEU 106 5.429 12.124 1.306 786 1HB LEU 106 1HB LEU 106 6.380 9.558 2.630 787 2HB LEU 106 2HB LEU 106 4.740 9.765 2.089 788 HG LEU 106 HG LEU 106 7.264 9.704 0.450 789 1HD1 LEU 106 1HD1 LEU 106 6.404 7.685 -0.456 790 2HD1 LEU 106 2HD1 LEU 106 5.962 7.601 1.265 791 3HD1 LEU 106 3HD1 LEU 106 4.765 8.044 0.066 792 1HD2 LEU 106 1HD2 LEU 106 6.147 11.224 -0.982 793 2HD2 LEU 106 2HD2 LEU 106 5.555 9.709 -1.609 794 3HD2 LEU 106 3HD2 LEU 106 4.559 10.685 -0.501 795 H GLU 107 H GLU 107 3.342 11.596 2.496 796 HA GLU 107 HA GLU 107 3.454 13.049 5.087 797 1HB GLU 107 1HB GLU 107 1.023 12.748 3.290 798 2HB GLU 107 2HB GLU 107 1.345 13.964 4.512 799 1HG GLU 107 1HG GLU 107 3.119 14.938 3.007 800 2HG GLU 107 2HG GLU 107 2.748 13.682 1.813 801 H GLU 108 H GLU 108 2.380 12.071 6.901 802 HA GLU 108 HA GLU 108 1.746 9.247 6.577 803 1HB GLU 108 1HB GLU 108 2.961 10.434 8.539 804 2HB GLU 108 2HB GLU 108 1.357 10.938 9.090 805 1HG GLU 108 1HG GLU 108 0.658 8.532 9.086 806 2HG GLU 108 2HG GLU 108 2.260 8.086 8.532 807 H LEU 109 H LEU 109 -0.145 8.812 5.562 808 HA LEU 109 HA LEU 109 -2.270 10.807 5.546 809 1HB LEU 109 1HB LEU 109 -1.368 9.616 3.497 810 2HB LEU 109 2HB LEU 109 -2.185 8.167 4.066 811 HG LEU 109 HG LEU 109 -4.288 9.839 4.201 812 1HD1 LEU 109 1HD1 LEU 109 -2.763 11.812 3.442 813 2HD1 LEU 109 2HD1 LEU 109 -2.782 11.019 1.859 814 3HD1 LEU 109 3HD1 LEU 109 -4.302 11.574 2.564 815 1HD2 LEU 109 1HD2 LEU 109 -4.893 9.234 1.875 816 2HD2 LEU 109 2HD2 LEU 109 -3.240 8.586 1.669 817 3HD2 LEU 109 3HD2 LEU 109 -4.339 7.892 2.873 818 H THR 110 H THR 110 -2.769 10.420 7.975 819 HA THR 110 HA THR 110 -3.916 7.791 8.614 820 HB THR 110 HB THR 110 -4.032 8.909 10.906 821 HG1 THR 110 HG1 THR 110 -2.425 10.999 10.178 822 1HG2 THR 110 1HG2 THR 110 -1.636 9.014 11.264 823 2HG2 THR 110 2HG2 THR 110 -2.047 7.677 10.186 824 3HG2 THR 110 3HG2 THR 110 -1.347 9.173 9.516 825 H THR 111 H THR 111 -5.527 9.347 6.667 826 HA THR 111 HA THR 111 -8.115 9.165 7.276 827 HB THR 111 HB THR 111 -7.890 10.613 9.286 828 HG1 THR 111 HG1 THR 111 -9.769 10.749 8.344 829 1HG2 THR 111 1HG2 THR 111 -7.365 12.973 9.099 830 2HG2 THR 111 2HG2 THR 111 -5.960 12.034 8.587 831 3HG2 THR 111 3HG2 THR 111 -7.001 12.821 7.372 832 H PHE 112 H PHE 112 -9.385 10.744 5.809 833 HA PHE 112 HA PHE 112 -8.199 12.274 3.804 834 1HB PHE 112 1HB PHE 112 -8.870 10.573 1.888 835 2HB PHE 112 2HB PHE 112 -7.324 10.404 2.680 836 HD1 PHE 112 HD1 PHE 112 -6.691 8.327 3.516 837 HD2 PHE 112 HD2 PHE 112 -10.889 9.167 2.912 838 HE1 PHE 112 HE1 PHE 112 -7.223 6.026 4.083 839 HE2 PHE 112 HE2 PHE 112 -11.431 6.850 3.516 840 HZ PHE 112 HZ PHE 112 -9.634 5.240 4.073 841 H THR 113 H THR 113 -10.203 12.027 1.887 842 HA THR 113 HA THR 113 -12.759 12.149 3.421 843 HB THR 113 HB THR 113 -11.947 14.142 1.269 844 HG1 THR 113 HG1 THR 113 -11.029 15.300 2.723 845 1HG2 THR 113 1HG2 THR 113 -13.787 15.488 2.265 846 2HG2 THR 113 2HG2 THR 113 -14.388 13.939 1.653 847 3HG2 THR 113 3HG2 THR 113 -14.135 14.175 3.402 848 H ARG 114 H ARG 114 -14.579 11.406 2.136 849 HA ARG 114 HA ARG 114 -14.266 10.905 -0.604 850 1HB ARG 114 1HB ARG 114 -12.938 8.934 0.382 851 2HB ARG 114 2HB ARG 114 -14.403 8.347 1.087 852 1HG ARG 114 1HG ARG 114 -13.786 7.300 -1.117 853 2HG ARG 114 2HG ARG 114 -15.400 7.992 -1.100 854 1HD ARG 114 1HD ARG 114 -14.812 9.801 -2.450 855 2HD ARG 114 2HD ARG 114 -13.086 9.634 -2.126 856 HE ARG 114 HE ARG 114 -14.721 8.037 -3.982 857 1HH1 ARG 114 2HH2 ARG 114 -11.454 8.402 -2.507 858 2HH1 ARG 114 1HH2 ARG 114 -10.680 7.488 -3.742 859 1HH2 ARG 114 2HH1 ARG 114 -13.666 6.949 -5.605 860 2HH2 ARG 114 1HH1 ARG 114 -12.004 6.438 -5.428 861 H GLU 115 H GLU 115 -16.205 12.071 -0.684 862 HA GLU 115 HA GLU 115 -18.332 11.300 1.094 863 1HB GLU 115 1HB GLU 115 -17.507 13.618 0.464 864 2HB GLU 115 2HB GLU 115 -18.409 13.447 -1.035 865 1HG GLU 115 1HG GLU 115 -20.513 13.089 0.226 866 2HG GLU 115 2HG GLU 115 -19.626 13.161 1.745 867 H GLY 116 H GLY 116 -18.137 9.051 -0.134 868 1HA GLY 116 1HA GLY 116 -20.608 8.329 -1.050 869 2HA GLY 116 2HA GLY 116 -19.704 8.702 -2.530 Start of MODEL 3 1 1H MET 1 H1 MET 1 11.984 -2.982 13.350 2 HA MET 1 HA MET 1 12.790 -3.547 10.573 3 1HB MET 1 1HB MET 1 11.666 -5.587 10.639 4 2HB MET 1 2HB MET 1 12.433 -5.495 12.221 5 1HG MET 1 1HG MET 1 10.285 -4.791 13.225 6 2HG MET 1 2HG MET 1 9.519 -4.879 11.643 7 1HE MET 1 1HE MET 1 11.239 -6.821 14.509 8 2HE MET 1 2HE MET 1 10.918 -8.520 14.126 9 3HE MET 1 3HE MET 1 12.130 -7.625 13.188 10 H ALA 2 H ALA 2 11.107 -3.354 8.938 11 HA ALA 2 HA ALA 2 8.490 -2.758 9.662 12 1HB ALA 2 1HB ALA 2 8.656 -0.608 7.917 13 2HB ALA 2 2HB ALA 2 8.461 -0.514 9.691 14 3HB ALA 2 3HB ALA 2 10.056 -0.340 8.961 15 H ARG 3 H ARG 3 7.266 -3.749 8.217 16 HA ARG 3 HA ARG 3 8.278 -4.236 5.502 17 1HB ARG 3 1HB ARG 3 6.203 -5.616 7.210 18 2HB ARG 3 2HB ARG 3 6.376 -5.806 5.454 19 1HG ARG 3 1HG ARG 3 8.984 -6.056 6.258 20 2HG ARG 3 2HG ARG 3 8.245 -6.612 7.743 21 1HD ARG 3 1HD ARG 3 6.936 -8.243 6.256 22 2HD ARG 3 2HD ARG 3 7.979 -7.616 4.929 23 HE ARG 3 HE ARG 3 9.870 -8.353 6.590 24 1HH1 ARG 3 2HH2 ARG 3 7.042 -10.050 5.439 25 2HH1 ARG 3 1HH2 ARG 3 7.776 -11.613 5.342 26 1HH2 ARG 3 2HH1 ARG 3 10.851 -10.387 6.750 27 2HH2 ARG 3 1HH1 ARG 3 10.081 -11.836 6.217 28 H VAL 4 H VAL 4 7.722 -2.512 4.307 29 HA VAL 4 HA VAL 4 5.055 -1.255 4.743 30 HB VAL 4 HB VAL 4 7.247 -0.011 4.484 31 1HG1 VAL 4 1HG1 VAL 4 7.565 0.452 1.824 32 2HG1 VAL 4 2HG1 VAL 4 8.557 -0.465 2.936 33 3HG1 VAL 4 3HG1 VAL 4 7.332 -1.293 1.905 34 1HG2 VAL 4 1HG2 VAL 4 6.005 1.829 3.802 35 2HG2 VAL 4 2HG2 VAL 4 5.544 1.064 2.250 36 3HG2 VAL 4 3HG2 VAL 4 4.640 0.693 3.654 37 H ALA 5 H ALA 5 3.485 -1.156 2.887 38 HA ALA 5 HA ALA 5 4.059 -3.267 0.859 39 1HB ALA 5 1HB ALA 5 2.135 -4.030 2.033 40 2HB ALA 5 2HB ALA 5 1.392 -2.407 2.040 41 3HB ALA 5 3HB ALA 5 1.586 -3.311 0.522 42 H ILE 6 H ILE 6 3.938 -2.283 -1.253 43 HA ILE 6 HA ILE 6 2.859 0.470 -1.386 44 HB ILE 6 HB ILE 6 5.118 -0.571 -3.082 45 1HG1 ILE 6 1HG1 ILE 6 6.321 1.368 -1.728 46 2HG1 ILE 6 2HG1 ILE 6 5.169 0.963 -0.469 47 1HG2 ILE 6 1HG2 ILE 6 3.574 1.262 -3.974 48 2HG2 ILE 6 2HG2 ILE 6 4.138 2.282 -2.647 49 3HG2 ILE 6 3HG2 ILE 6 5.292 1.673 -3.867 50 1HD1 ILE 6 1HD1 ILE 6 6.086 -1.264 -0.253 51 2HD1 ILE 6 2HD1 ILE 6 6.994 -1.106 -1.781 52 3HD1 ILE 6 3HD1 ILE 6 7.452 -0.172 -0.354 53 HA PRO 7 HA PRO 7 0.088 -1.760 -4.153 54 1HB PRO 7 1HB PRO 7 -1.474 0.400 -4.885 55 2HB PRO 7 2HB PRO 7 -1.524 -0.355 -3.256 56 1HG PRO 7 1HG PRO 7 -0.162 2.188 -4.129 57 2HG PRO 7 2HG PRO 7 -0.967 1.841 -2.558 58 1HD PRO 7 1HD PRO 7 1.652 1.759 -3.020 59 2HD PRO 7 2HD PRO 7 0.814 0.922 -1.676 60 H SER 8 H SER 8 0.983 -2.457 -6.052 61 HA SER 8 HA SER 8 2.060 -0.447 -7.965 62 1HB SER 8 1HB SER 8 3.841 -1.888 -7.053 63 2HB SER 8 2HB SER 8 2.886 -3.341 -7.420 64 HG SER 8 HG SER 8 4.120 -3.245 -9.141 65 H VAL 9 H VAL 9 2.035 -1.317 -10.208 66 HA VAL 9 HA VAL 9 -0.302 -3.003 -10.920 67 HB VAL 9 HB VAL 9 -0.923 -1.484 -12.698 68 1HG1 VAL 9 1HG1 VAL 9 -1.875 0.309 -11.476 69 2HG1 VAL 9 2HG1 VAL 9 -1.714 -1.052 -10.316 70 3HG1 VAL 9 3HG1 VAL 9 -0.542 0.318 -10.302 71 1HG2 VAL 9 1HG2 VAL 9 1.641 -0.063 -12.156 72 2HG2 VAL 9 2HG2 VAL 9 0.692 -0.205 -13.641 73 3HG2 VAL 9 3HG2 VAL 9 0.248 0.997 -12.425 74 H GLY 10 H GLY 10 2.416 -3.811 -10.528 75 1HA GLY 10 1HA GLY 10 2.727 -5.403 -12.740 76 2HA GLY 10 2HA GLY 10 3.860 -4.063 -12.965 77 H LYS 11 H LYS 11 5.166 -6.296 -12.690 78 HA LYS 11 HA LYS 11 5.685 -6.861 -9.822 79 1HB LYS 11 1HB LYS 11 6.247 -9.173 -10.487 80 2HB LYS 11 2HB LYS 11 4.547 -8.737 -10.605 81 1HG LYS 11 1HG LYS 11 4.768 -8.491 -13.063 82 2HG LYS 11 2HG LYS 11 6.475 -8.903 -12.914 83 1HD LYS 11 1HD LYS 11 5.236 -10.839 -13.711 84 2HD LYS 11 2HD LYS 11 5.864 -11.170 -12.087 85 1HE LYS 11 1HE LYS 11 3.654 -10.572 -11.131 86 2HE LYS 11 2HE LYS 11 3.018 -10.270 -12.761 87 1HZ LYS 11 1HZ LYS 11 2.383 -12.418 -11.923 88 2HZ LYS 11 2HZ LYS 11 3.351 -12.652 -13.213 89 3HZ LYS 11 3HZ LYS 11 3.929 -12.884 -11.685 90 H ASP 12 H ASP 12 6.880 -4.731 -10.786 91 HA ASP 12 HA ASP 12 9.694 -5.558 -10.693 92 1HB ASP 12 1HB ASP 12 8.408 -4.042 -12.944 93 2HB ASP 12 2HB ASP 12 9.899 -3.380 -12.325 94 H LEU 13 H LEU 13 10.996 -3.825 -9.871 95 HA LEU 13 HA LEU 13 9.614 -2.250 -7.828 96 1HB LEU 13 1HB LEU 13 11.897 -3.601 -7.865 97 2HB LEU 13 2HB LEU 13 12.547 -2.097 -8.469 98 HG LEU 13 HG LEU 13 12.976 -2.325 -6.125 99 1HD1 LEU 13 1HD1 LEU 13 12.251 -0.257 -5.253 100 2HD1 LEU 13 2HD1 LEU 13 12.437 -0.072 -7.007 101 3HD1 LEU 13 3HD1 LEU 13 10.824 -0.230 -6.298 102 1HD2 LEU 13 1HD2 LEU 13 11.136 -3.839 -5.491 103 2HD2 LEU 13 2HD2 LEU 13 11.309 -2.472 -4.387 104 3HD2 LEU 13 3HD2 LEU 13 10.007 -2.478 -5.568 105 H SER 14 H SER 14 10.051 -1.756 -11.073 106 HA SER 14 HA SER 14 9.806 1.168 -10.589 107 1HB SER 14 1HB SER 14 12.022 0.260 -11.684 108 2HB SER 14 2HB SER 14 10.924 -0.098 -13.034 109 HG SER 14 HG SER 14 11.324 1.847 -13.610 110 H SER 15 H SER 15 7.807 -1.001 -10.634 111 HA SER 15 HA SER 15 6.343 -0.368 -13.110 112 1HB SER 15 1HB SER 15 5.627 -1.855 -10.537 113 2HB SER 15 2HB SER 15 4.445 -1.576 -11.843 114 HG SER 15 HG SER 15 5.867 -2.604 -13.261 115 H MET 16 H MET 16 4.110 0.815 -12.850 116 HA MET 16 HA MET 16 4.576 3.295 -11.443 117 1HB MET 16 1HB MET 16 2.520 2.073 -13.278 118 2HB MET 16 2HB MET 16 1.969 3.369 -12.251 119 1HG MET 16 1HG MET 16 4.503 4.085 -13.504 120 2HG MET 16 2HG MET 16 3.297 3.600 -14.692 121 1HE MET 16 1HE MET 16 2.217 5.268 -11.248 122 2HE MET 16 2HE MET 16 3.876 5.860 -11.556 123 3HE MET 16 3HE MET 16 2.503 6.984 -11.626 124 H VAL 17 H VAL 17 3.762 4.003 -9.440 125 HA VAL 17 HA VAL 17 2.436 2.024 -7.757 126 HB VAL 17 HB VAL 17 3.362 4.860 -7.206 127 1HG1 VAL 17 1HG1 VAL 17 3.013 4.451 -4.846 128 2HG1 VAL 17 2HG1 VAL 17 1.433 4.423 -5.669 129 3HG1 VAL 17 3HG1 VAL 17 2.204 2.902 -5.179 130 1HG2 VAL 17 1HG2 VAL 17 4.926 2.971 -7.520 131 2HG2 VAL 17 2HG2 VAL 17 5.059 3.803 -5.967 132 3HG2 VAL 17 3HG2 VAL 17 4.251 2.218 -6.092 133 H SER 18 H SER 18 0.408 2.039 -7.076 134 HA SER 18 HA SER 18 -1.509 3.223 -8.991 135 1HB SER 18 1HB SER 18 -1.116 0.629 -8.251 136 2HB SER 18 2HB SER 18 -2.216 1.075 -6.975 137 HG SER 18 HG SER 18 -2.550 1.190 -9.786 138 H ASP 19 H ASP 19 -2.945 4.741 -8.315 139 HA ASP 19 HA ASP 19 -2.494 5.871 -5.735 140 1HB ASP 19 1HB ASP 19 -4.299 6.453 -8.086 141 2HB ASP 19 2HB ASP 19 -4.533 7.394 -6.596 142 H ARG 20 H ARG 20 -3.556 3.253 -5.333 143 HA ARG 20 HA ARG 20 -6.117 3.645 -3.994 144 1HB ARG 20 1HB ARG 20 -7.023 1.702 -5.576 145 2HB ARG 20 2HB ARG 20 -7.353 3.401 -5.890 146 1HG ARG 20 1HG ARG 20 -5.459 3.345 -7.612 147 2HG ARG 20 2HG ARG 20 -5.280 1.617 -7.237 148 1HD ARG 20 1HD ARG 20 -6.695 1.430 -9.013 149 2HD ARG 20 2HD ARG 20 -7.912 1.612 -7.750 150 HE ARG 20 HE ARG 20 -7.702 4.146 -8.376 151 1HH1 ARG 20 2HH2 ARG 20 -8.047 1.378 -10.617 152 2HH1 ARG 20 1HH2 ARG 20 -8.326 2.409 -11.986 153 1HH2 ARG 20 2HH1 ARG 20 -7.858 5.406 -10.278 154 2HH2 ARG 20 1HH1 ARG 20 -8.573 4.708 -11.710 155 H PHE 21 H PHE 21 -4.991 2.763 -2.114 156 HA PHE 21 HA PHE 21 -3.388 0.532 -2.242 157 1HB PHE 21 1HB PHE 21 -3.463 1.832 -0.271 158 2HB PHE 21 2HB PHE 21 -5.200 1.705 -0.112 159 HD1 PHE 21 HD1 PHE 21 -2.251 -0.586 -0.481 160 HD2 PHE 21 HD2 PHE 21 -6.000 0.179 1.527 161 HE1 PHE 21 HE1 PHE 21 -2.049 -2.723 0.632 162 HE2 PHE 21 HE2 PHE 21 -5.743 -1.974 2.748 163 HZ PHE 21 HZ PHE 21 -3.788 -3.435 2.333 164 H ALA 22 H ALA 22 -6.967 0.569 -1.684 165 HA ALA 22 HA ALA 22 -6.971 -2.305 -1.441 166 1HB ALA 22 1HB ALA 22 -8.547 -0.733 -0.246 167 2HB ALA 22 2HB ALA 22 -9.381 -0.492 -1.799 168 3HB ALA 22 3HB ALA 22 -9.322 -2.094 -1.056 169 H ARG 23 H ARG 23 -6.218 -0.899 -4.274 170 HA ARG 23 HA ARG 23 -7.784 -2.820 -5.890 171 1HB ARG 23 1HB ARG 23 -8.273 0.044 -5.694 172 2HB ARG 23 2HB ARG 23 -7.712 -0.371 -7.300 173 1HG ARG 23 1HG ARG 23 -10.005 -1.636 -5.804 174 2HG ARG 23 2HG ARG 23 -10.112 -0.404 -7.049 175 1HD ARG 23 1HD ARG 23 -8.846 -2.000 -8.637 176 2HD ARG 23 2HD ARG 23 -9.210 -3.268 -7.463 177 HE ARG 23 HE ARG 23 -11.403 -3.246 -8.049 178 1HH1 ARG 23 2HH2 ARG 23 -9.864 -0.499 -9.736 179 2HH1 ARG 23 1HH2 ARG 23 -11.354 0.109 -10.389 180 1HH2 ARG 23 2HH1 ARG 23 -13.236 -2.626 -9.109 181 2HH2 ARG 23 1HH1 ARG 23 -13.281 -1.411 -10.335 182 H ALA 24 H ALA 24 -5.010 -3.076 -5.106 183 HA ALA 24 HA ALA 24 -3.591 -1.780 -7.363 184 1HB ALA 24 1HB ALA 24 -2.913 -1.374 -4.807 185 2HB ALA 24 2HB ALA 24 -2.065 -2.908 -5.016 186 3HB ALA 24 3HB ALA 24 -1.680 -1.565 -6.074 187 H GLU 25 H GLU 25 -2.682 -3.237 -8.871 188 HA GLU 25 HA GLU 25 -3.719 -5.925 -8.744 189 1HB GLU 25 1HB GLU 25 -2.180 -4.195 -10.680 190 2HB GLU 25 2HB GLU 25 -2.028 -5.961 -10.880 191 1HG GLU 25 1HG GLU 25 -4.540 -6.109 -10.741 192 2HG GLU 25 2HG GLU 25 -4.607 -4.371 -10.848 193 H TYR 26 H TYR 26 -0.732 -4.553 -7.599 194 HA TYR 26 HA TYR 26 0.257 -7.176 -6.921 195 1HB TYR 26 1HB TYR 26 1.751 -4.981 -8.446 196 2HB TYR 26 2HB TYR 26 2.557 -6.358 -7.681 197 HD1 TYR 26 HD1 TYR 26 0.438 -5.234 -10.502 198 HD2 TYR 26 HD2 TYR 26 2.277 -8.653 -8.631 199 HE1 TYR 26 HE1 TYR 26 0.124 -6.521 -12.591 200 HE2 TYR 26 HE2 TYR 26 1.833 -9.979 -10.669 201 HH TYR 26 HH TYR 26 0.252 -8.658 -13.600 202 H PHE 27 H PHE 27 1.685 -6.912 -5.016 203 HA PHE 27 HA PHE 27 1.673 -4.204 -3.815 204 1HB PHE 27 1HB PHE 27 0.767 -6.671 -2.304 205 2HB PHE 27 2HB PHE 27 1.302 -5.176 -1.555 206 HD1 PHE 27 HD1 PHE 27 -0.066 -3.146 -1.672 207 HD2 PHE 27 HD2 PHE 27 -1.296 -6.798 -3.606 208 HE1 PHE 27 HE1 PHE 27 -2.359 -2.231 -1.993 209 HE2 PHE 27 HE2 PHE 27 -3.589 -5.839 -3.894 210 HZ PHE 27 HZ PHE 27 -4.108 -3.636 -3.097 211 H ILE 28 H ILE 28 3.672 -3.695 -3.415 212 HA ILE 28 HA ILE 28 5.759 -5.826 -3.441 213 HB ILE 28 HB ILE 28 6.129 -2.836 -3.784 214 1HG1 ILE 28 1HG1 ILE 28 4.591 -3.230 -5.510 215 2HG1 ILE 28 2HG1 ILE 28 6.176 -3.244 -6.250 216 1HG2 ILE 28 1HG2 ILE 28 8.139 -3.922 -3.368 217 2HG2 ILE 28 2HG2 ILE 28 7.743 -5.338 -4.380 218 3HG2 ILE 28 3HG2 ILE 28 8.135 -3.788 -5.121 219 1HD1 ILE 28 1HD1 ILE 28 6.009 -5.845 -6.097 220 2HD1 ILE 28 2HD1 ILE 28 4.281 -5.566 -5.842 221 3HD1 ILE 28 3HD1 ILE 28 5.048 -4.994 -7.324 222 H ILE 29 H ILE 29 6.354 -6.498 -1.520 223 HA ILE 29 HA ILE 29 5.840 -4.746 0.795 224 HB ILE 29 HB ILE 29 6.216 -7.743 0.597 225 1HG1 ILE 29 1HG1 ILE 29 3.788 -6.019 1.275 226 2HG1 ILE 29 2HG1 ILE 29 4.061 -6.874 -0.254 227 1HG2 ILE 29 1HG2 ILE 29 7.206 -7.002 2.686 228 2HG2 ILE 29 2HG2 ILE 29 5.826 -5.953 3.030 229 3HG2 ILE 29 3HG2 ILE 29 5.659 -7.729 3.070 230 1HD1 ILE 29 1HD1 ILE 29 2.702 -8.337 0.848 231 2HD1 ILE 29 2HD1 ILE 29 4.295 -9.013 1.213 232 3HD1 ILE 29 3HD1 ILE 29 3.436 -8.026 2.438 233 H TYR 30 H TYR 30 7.539 -3.676 1.389 234 HA TYR 30 HA TYR 30 10.319 -4.674 0.796 235 1HB TYR 30 1HB TYR 30 9.366 -2.300 0.058 236 2HB TYR 30 2HB TYR 30 9.380 -1.895 1.787 237 HD1 TYR 30 HD1 TYR 30 11.213 -0.493 2.306 238 HD2 TYR 30 HD2 TYR 30 11.728 -3.639 -0.582 239 HE1 TYR 30 HE1 TYR 30 13.624 0.095 2.081 240 HE2 TYR 30 HE2 TYR 30 14.136 -3.092 -0.785 241 HH TYR 30 HH TYR 30 15.435 -0.182 0.180 242 H ASP 31 H ASP 31 11.504 -5.360 2.359 243 HA ASP 31 HA ASP 31 10.884 -4.917 5.249 244 1HB ASP 31 1HB ASP 31 12.737 -6.610 3.643 245 2HB ASP 31 2HB ASP 31 13.307 -6.124 5.233 246 H THR 32 H THR 32 11.511 -2.798 5.978 247 HA THR 32 HA THR 32 14.106 -1.653 5.137 248 HB THR 32 HB THR 32 13.573 0.120 6.677 249 HG1 THR 32 HG1 THR 32 12.647 -1.430 8.136 250 1HG2 THR 32 1HG2 THR 32 12.371 0.217 4.495 251 2HG2 THR 32 2HG2 THR 32 10.976 -0.597 5.239 252 3HG2 THR 32 3HG2 THR 32 11.482 1.006 5.812 253 H GLU 33 H GLU 33 14.755 -4.126 5.743 254 HA GLU 33 HA GLU 33 16.206 -3.992 8.193 255 1HB GLU 33 1HB GLU 33 13.995 -4.901 8.980 256 2HB GLU 33 2HB GLU 33 14.014 -6.086 7.635 257 1HG GLU 33 1HG GLU 33 15.768 -7.303 8.559 258 2HG GLU 33 2HG GLU 33 16.212 -5.971 9.630 259 H SER 34 H SER 34 15.471 -5.766 5.187 260 HA SER 34 HA SER 34 18.317 -5.919 5.197 261 1HB SER 34 1HB SER 34 16.673 -8.190 6.010 262 2HB SER 34 2HB SER 34 17.497 -8.666 4.555 263 HG SER 34 HG SER 34 19.486 -7.846 5.547 264 H GLY 35 H GLY 35 16.552 -4.503 3.556 265 1HA GLY 35 1HA GLY 35 15.967 -3.996 1.435 266 2HA GLY 35 2HA GLY 35 17.392 -4.910 0.937 267 H ASN 36 H ASN 36 15.075 -6.909 2.536 268 HA ASN 36 HA ASN 36 14.549 -8.459 0.183 269 1HB ASN 36 1HB ASN 36 12.727 -8.417 2.602 270 2HB ASN 36 2HB ASN 36 12.987 -9.725 1.486 271 1HD2 ASN 36 1HD2 ASN 36 13.221 -9.262 4.526 272 2HD2 ASN 36 2HD2 ASN 36 14.749 -10.053 4.920 273 H VAL 37 H VAL 37 12.667 -8.636 -1.034 274 HA VAL 37 HA VAL 37 10.561 -6.858 -0.547 275 HB VAL 37 HB VAL 37 11.251 -6.977 -3.435 276 1HG1 VAL 37 1HG1 VAL 37 9.172 -5.970 -2.569 277 2HG1 VAL 37 2HG1 VAL 37 10.108 -4.886 -1.521 278 3HG1 VAL 37 3HG1 VAL 37 10.202 -4.705 -3.291 279 1HG2 VAL 37 1HG2 VAL 37 13.401 -6.236 -2.905 280 2HG2 VAL 37 2HG2 VAL 37 12.497 -4.789 -3.331 281 3HG2 VAL 37 3HG2 VAL 37 12.846 -5.152 -1.626 282 H GLU 38 H GLU 38 8.647 -7.802 -1.144 283 HA GLU 38 HA GLU 38 8.681 -10.451 -2.512 284 1HB GLU 38 1HB GLU 38 8.236 -10.927 -0.234 285 2HB GLU 38 2HB GLU 38 7.304 -9.478 -0.025 286 1HG GLU 38 1HG GLU 38 5.663 -11.000 0.081 287 2HG GLU 38 2HG GLU 38 5.514 -10.536 -1.588 288 H VAL 39 H VAL 39 7.285 -10.534 -4.271 289 HA VAL 39 HA VAL 39 5.501 -8.179 -4.750 290 HB VAL 39 HB VAL 39 6.286 -10.347 -6.744 291 1HG1 VAL 39 1HG1 VAL 39 4.673 -7.741 -6.972 292 2HG1 VAL 39 2HG1 VAL 39 5.291 -8.656 -8.356 293 3HG1 VAL 39 3HG1 VAL 39 4.121 -9.388 -7.278 294 1HG2 VAL 39 1HG2 VAL 39 7.616 -8.576 -7.863 295 2HG2 VAL 39 2HG2 VAL 39 7.403 -7.533 -6.431 296 3HG2 VAL 39 3HG2 VAL 39 8.280 -9.071 -6.298 297 H VAL 40 H VAL 40 3.590 -8.546 -3.823 298 HA VAL 40 HA VAL 40 2.149 -11.135 -4.059 299 HB VAL 40 HB VAL 40 1.427 -8.379 -3.069 300 1HG1 VAL 40 1HG1 VAL 40 -0.664 -9.326 -2.164 301 2HG1 VAL 40 2HG1 VAL 40 -0.585 -9.322 -3.928 302 3HG1 VAL 40 3HG1 VAL 40 -0.319 -10.845 -3.039 303 1HG2 VAL 40 1HG2 VAL 40 2.928 -9.454 -1.506 304 2HG2 VAL 40 2HG2 VAL 40 1.297 -9.413 -0.817 305 3HG2 VAL 40 3HG2 VAL 40 1.924 -10.921 -1.513 306 H GLU 41 H GLU 41 0.390 -11.270 -5.438 307 HA GLU 41 HA GLU 41 0.001 -9.353 -7.658 308 1HB GLU 41 1HB GLU 41 1.278 -11.377 -8.415 309 2HB GLU 41 2HB GLU 41 0.019 -12.404 -7.698 310 1HG GLU 41 1HG GLU 41 -1.636 -11.667 -9.272 311 2HG GLU 41 2HG GLU 41 -0.481 -10.517 -9.975 312 H ASN 42 H ASN 42 -2.059 -8.554 -7.058 313 HA ASN 42 HA ASN 42 -3.848 -10.455 -5.644 314 1HB ASN 42 1HB ASN 42 -2.665 -8.670 -4.120 315 2HB ASN 42 2HB ASN 42 -3.918 -7.634 -4.820 316 1HD2 ASN 42 1HD2 ASN 42 -3.376 -9.416 -2.108 317 2HD2 ASN 42 2HD2 ASN 42 -4.958 -10.142 -1.888 318 H THR 43 H THR 43 -5.659 -10.673 -6.583 319 HA THR 43 HA THR 43 -6.285 -8.873 -8.846 320 HB THR 43 HB THR 43 -7.333 -11.033 -9.680 321 HG1 THR 43 HG1 THR 43 -5.777 -12.288 -7.635 322 1HG2 THR 43 1HG2 THR 43 -4.332 -11.223 -8.973 323 2HG2 THR 43 2HG2 THR 43 -5.187 -12.074 -10.281 324 3HG2 THR 43 3HG2 THR 43 -5.023 -10.317 -10.336 325 H ILE 44 H ILE 44 -7.207 -7.470 -6.837 326 HA ILE 44 HA ILE 44 -9.806 -8.372 -5.896 327 HB ILE 44 HB ILE 44 -9.739 -6.100 -4.851 328 1HG1 ILE 44 1HG1 ILE 44 -7.797 -5.433 -6.364 329 2HG1 ILE 44 2HG1 ILE 44 -8.032 -4.744 -4.777 330 1HG2 ILE 44 1HG2 ILE 44 -9.254 -8.146 -3.607 331 2HG2 ILE 44 2HG2 ILE 44 -7.567 -7.989 -4.193 332 3HG2 ILE 44 3HG2 ILE 44 -8.233 -6.756 -3.102 333 1HD1 ILE 44 1HD1 ILE 44 -5.695 -5.068 -5.339 334 2HD1 ILE 44 2HD1 ILE 44 -6.105 -6.130 -3.988 335 3HD1 ILE 44 3HD1 ILE 44 -5.958 -6.787 -5.648 336 H ALA 45 H ALA 45 -10.824 -8.614 -8.061 337 HA ALA 45 HA ALA 45 -11.300 -5.987 -9.425 338 1HB ALA 45 1HB ALA 45 -11.564 -8.836 -10.468 339 2HB ALA 45 2HB ALA 45 -11.736 -7.347 -11.409 340 3HB ALA 45 3HB ALA 45 -10.164 -7.772 -10.727 341 H ASP 46 H ASP 46 -12.762 -6.725 -6.979 342 HA ASP 46 HA ASP 46 -15.542 -6.738 -8.078 343 1HB ASP 46 1HB ASP 46 -14.907 -9.045 -7.458 344 2HB ASP 46 2HB ASP 46 -14.477 -8.478 -5.833 345 H ALA 47 H ALA 47 -17.106 -6.076 -6.330 346 HA ALA 47 HA ALA 47 -16.089 -4.565 -4.062 347 1HB ALA 47 1HB ALA 47 -17.647 -3.164 -6.285 348 2HB ALA 47 2HB ALA 47 -17.478 -2.549 -4.626 349 3HB ALA 47 3HB ALA 47 -16.039 -2.737 -5.633 350 H HIS 48 H HIS 48 -17.196 -5.817 -2.671 351 HA HIS 48 HA HIS 48 -20.094 -6.245 -3.063 352 1HB HIS 48 1HB HIS 48 -18.643 -7.989 -4.235 353 2HB HIS 48 2HB HIS 48 -18.141 -8.531 -2.641 354 HD1 HIS 48 HD1 HIS 48 -19.216 -10.889 -3.456 355 HD2 HIS 48 HD2 HIS 48 -21.880 -7.639 -3.032 356 HE1 HIS 48 HE1 HIS 48 -21.583 -11.863 -3.543 357 H GLY 49 H GLY 49 -17.278 -7.087 -0.838 358 1HA GLY 49 1HA GLY 49 -17.139 -5.569 1.071 359 2HA GLY 49 2HA GLY 49 -18.881 -5.744 1.297 360 H THR 50 H THR 50 -17.576 -6.110 3.467 361 HA THR 50 HA THR 50 -16.866 -7.386 5.164 362 HB THR 50 HB THR 50 -18.654 -9.518 3.973 363 HG1 THR 50 HG1 THR 50 -19.376 -7.424 5.758 364 1HG2 THR 50 1HG2 THR 50 -17.919 -8.943 6.861 365 2HG2 THR 50 2HG2 THR 50 -19.087 -10.156 6.300 366 3HG2 THR 50 3HG2 THR 50 -17.375 -10.325 5.888 367 H GLY 51 H GLY 51 -14.651 -7.516 4.655 368 1HA GLY 51 1HA GLY 51 -13.191 -9.529 4.955 369 2HA GLY 51 2HA GLY 51 -13.724 -10.041 3.357 370 HA PRO 52 HA PRO 52 -10.512 -6.514 2.838 371 1HB PRO 52 1HB PRO 52 -8.168 -7.136 3.897 372 2HB PRO 52 2HB PRO 52 -9.420 -6.272 4.804 373 1HG PRO 52 1HG PRO 52 -8.655 -9.191 4.989 374 2HG PRO 52 2HG PRO 52 -9.068 -8.077 6.305 375 1HD PRO 52 1HD PRO 52 -10.936 -9.808 5.207 376 2HD PRO 52 2HD PRO 52 -11.351 -8.238 5.941 377 H LYS 53 H LYS 53 -9.468 -9.921 3.220 378 HA LYS 53 HA LYS 53 -8.156 -11.297 2.057 379 1HB LYS 53 1HB LYS 53 -9.196 -9.942 -0.458 380 2HB LYS 53 2HB LYS 53 -8.218 -11.391 -0.373 381 1HG LYS 53 1HG LYS 53 -10.286 -12.345 -0.521 382 2HG LYS 53 2HG LYS 53 -10.081 -12.324 1.222 383 1HD LYS 53 1HD LYS 53 -12.320 -11.665 0.756 384 2HD LYS 53 2HD LYS 53 -11.505 -10.182 1.251 385 1HE LYS 53 1HE LYS 53 -11.328 -9.402 -1.010 386 2HE LYS 53 2HE LYS 53 -11.677 -11.016 -1.650 387 1HZ LYS 53 1HZ LYS 53 -13.669 -9.288 -0.335 388 2HZ LYS 53 2HZ LYS 53 -13.530 -9.650 -1.939 389 3HZ LYS 53 3HZ LYS 53 -13.935 -10.821 -0.880 390 H VAL 54 H VAL 54 -7.705 -8.191 0.290 391 HA VAL 54 HA VAL 54 -4.947 -8.375 -0.056 392 HB VAL 54 HB VAL 54 -6.407 -6.800 -1.173 393 1HG1 VAL 54 1HG1 VAL 54 -7.247 -4.782 -0.374 394 2HG1 VAL 54 2HG1 VAL 54 -7.775 -5.969 0.807 395 3HG1 VAL 54 3HG1 VAL 54 -6.398 -4.894 1.168 396 1HG2 VAL 54 1HG2 VAL 54 -3.984 -6.413 -1.157 397 2HG2 VAL 54 2HG2 VAL 54 -4.892 -4.889 -1.219 398 3HG2 VAL 54 3HG2 VAL 54 -4.132 -5.404 0.291 399 H VAL 55 H VAL 55 -6.462 -6.437 2.566 400 HA VAL 55 HA VAL 55 -4.130 -6.130 4.194 401 HB VAL 55 HB VAL 55 -6.910 -6.333 5.354 402 1HG1 VAL 55 1HG1 VAL 55 -5.167 -5.845 6.876 403 2HG1 VAL 55 2HG1 VAL 55 -4.606 -4.485 5.893 404 3HG1 VAL 55 3HG1 VAL 55 -6.214 -4.437 6.667 405 1HG2 VAL 55 1HG2 VAL 55 -7.399 -5.061 3.336 406 2HG2 VAL 55 2HG2 VAL 55 -7.277 -3.910 4.658 407 3HG2 VAL 55 3HG2 VAL 55 -5.918 -4.103 3.541 408 H GLN 56 H GLN 56 -6.582 -8.773 4.325 409 HA GLN 56 HA GLN 56 -5.503 -9.931 6.555 410 1HB GLN 56 1HB GLN 56 -7.189 -10.904 4.356 411 2HB GLN 56 2HB GLN 56 -6.193 -12.181 5.043 412 1HG GLN 56 1HG GLN 56 -7.872 -10.323 6.763 413 2HG GLN 56 2HG GLN 56 -8.462 -11.861 6.121 414 1HE2 GLN 56 1HE2 GLN 56 -6.310 -10.348 8.514 415 2HE2 GLN 56 2HE2 GLN 56 -5.881 -11.818 9.327 416 H SER 57 H SER 57 -4.516 -10.497 3.139 417 HA SER 57 HA SER 57 -2.427 -12.299 3.661 418 1HB SER 57 1HB SER 57 -3.563 -11.815 1.417 419 2HB SER 57 2HB SER 57 -2.740 -10.266 1.379 420 HG SER 57 HG SER 57 -1.821 -12.756 0.761 421 H LEU 58 H LEU 58 -2.255 -8.759 3.110 422 HA LEU 58 HA LEU 58 0.580 -8.582 3.254 423 1HB LEU 58 1HB LEU 58 -1.594 -6.544 3.878 424 2HB LEU 58 2HB LEU 58 0.106 -6.136 3.712 425 HG LEU 58 HG LEU 58 -1.606 -7.334 1.482 426 1HD1 LEU 58 1HD1 LEU 58 -2.289 -5.059 2.100 427 2HD1 LEU 58 2HD1 LEU 58 -0.623 -4.486 1.889 428 3HD1 LEU 58 3HD1 LEU 58 -1.545 -5.107 0.491 429 1HD2 LEU 58 1HD2 LEU 58 0.625 -7.968 1.124 430 2HD2 LEU 58 2HD2 LEU 58 0.222 -6.681 0.006 431 3HD2 LEU 58 3HD2 LEU 58 1.231 -6.312 1.426 432 H VAL 59 H VAL 59 -1.913 -8.266 5.758 433 HA VAL 59 HA VAL 59 -0.257 -7.708 7.998 434 HB VAL 59 HB VAL 59 -3.019 -8.740 7.398 435 1HG1 VAL 59 1HG1 VAL 59 -2.515 -9.951 9.475 436 2HG1 VAL 59 2HG1 VAL 59 -1.924 -8.455 10.237 437 3HG1 VAL 59 3HG1 VAL 59 -3.647 -8.636 9.801 438 1HG2 VAL 59 1HG2 VAL 59 -2.518 -6.337 7.162 439 2HG2 VAL 59 2HG2 VAL 59 -3.643 -6.600 8.502 440 3HG2 VAL 59 3HG2 VAL 59 -1.924 -6.274 8.838 441 H SER 60 H SER 60 -1.439 -10.919 6.635 442 HA SER 60 HA SER 60 -0.099 -12.443 8.592 443 1HB SER 60 1HB SER 60 -0.547 -13.148 5.656 444 2HB SER 60 2HB SER 60 -0.107 -14.279 6.936 445 HG SER 60 HG SER 60 -2.146 -13.175 7.921 446 H LYS 61 H LYS 61 1.206 -10.586 5.923 447 HA LYS 61 HA LYS 61 3.872 -11.906 6.181 448 1HB LYS 61 1HB LYS 61 2.744 -10.020 4.094 449 2HB LYS 61 2HB LYS 61 4.332 -10.775 4.025 450 1HG LYS 61 1HG LYS 61 3.479 -12.915 3.529 451 2HG LYS 61 2HG LYS 61 1.910 -12.587 4.242 452 1HD LYS 61 1HD LYS 61 1.328 -12.524 2.051 453 2HD LYS 61 2HD LYS 61 1.598 -10.821 2.388 454 1HE LYS 61 1HE LYS 61 2.915 -10.859 0.532 455 2HE LYS 61 2HE LYS 61 4.133 -11.563 1.614 456 1HZ LYS 61 1HZ LYS 61 3.345 -13.763 0.905 457 2HZ LYS 61 2HZ LYS 61 2.272 -13.081 -0.160 458 3HZ LYS 61 3HZ LYS 61 3.891 -12.907 -0.346 459 H GLY 62 H GLY 62 2.620 -10.029 8.170 460 1HA GLY 62 1HA GLY 62 3.553 -8.744 9.750 461 2HA GLY 62 2HA GLY 62 5.092 -8.842 8.913 462 H VAL 63 H VAL 63 2.561 -7.415 7.002 463 HA VAL 63 HA VAL 63 4.166 -5.111 6.711 464 HB VAL 63 HB VAL 63 1.380 -5.848 5.761 465 1HG1 VAL 63 1HG1 VAL 63 1.479 -3.406 5.768 466 2HG1 VAL 63 2HG1 VAL 63 3.008 -3.451 4.863 467 3HG1 VAL 63 3HG1 VAL 63 1.494 -4.050 4.139 468 1HG2 VAL 63 1HG2 VAL 63 3.335 -7.150 4.833 469 2HG2 VAL 63 2HG2 VAL 63 2.543 -6.163 3.596 470 3HG2 VAL 63 3HG2 VAL 63 4.065 -5.619 4.328 471 H GLU 64 H GLU 64 4.419 -3.746 8.427 472 HA GLU 64 HA GLU 64 2.040 -2.712 9.924 473 1HB GLU 64 1HB GLU 64 5.055 -2.795 10.376 474 2HB GLU 64 2HB GLU 64 4.126 -1.725 11.281 475 1HG GLU 64 1HG GLU 64 2.906 -4.431 11.253 476 2HG GLU 64 2HG GLU 64 4.621 -4.577 11.557 477 H TYR 65 H TYR 65 2.415 -1.761 7.152 478 HA TYR 65 HA TYR 65 2.588 1.076 7.465 479 1HB TYR 65 1HB TYR 65 4.975 -0.517 6.599 480 2HB TYR 65 2HB TYR 65 4.622 0.904 5.669 481 HD1 TYR 65 HD1 TYR 65 3.959 3.123 6.854 482 HD2 TYR 65 HD2 TYR 65 6.576 0.068 8.192 483 HE1 TYR 65 HE1 TYR 65 4.957 4.722 8.433 484 HE2 TYR 65 HE2 TYR 65 7.580 1.602 9.898 485 HH TYR 65 HH TYR 65 7.349 3.674 10.875 486 H LEU 66 H LEU 66 2.676 2.092 5.257 487 HA LEU 66 HA LEU 66 2.366 0.537 2.919 488 1HB LEU 66 1HB LEU 66 0.249 0.069 3.669 489 2HB LEU 66 2HB LEU 66 -0.020 1.686 4.318 490 HG LEU 66 HG LEU 66 -0.158 2.618 2.131 491 1HD1 LEU 66 1HD1 LEU 66 -0.787 1.044 0.185 492 2HD1 LEU 66 2HD1 LEU 66 0.900 1.044 0.589 493 3HD1 LEU 66 3HD1 LEU 66 -0.125 -0.291 1.160 494 1HD2 LEU 66 1HD2 LEU 66 -2.147 1.922 3.452 495 2HD2 LEU 66 2HD2 LEU 66 -2.466 1.879 1.730 496 3HD2 LEU 66 3HD2 LEU 66 -2.156 0.371 2.629 497 H ILE 67 H ILE 67 2.386 1.938 1.069 498 HA ILE 67 HA ILE 67 2.522 4.891 1.496 499 HB ILE 67 HB ILE 67 4.048 3.065 -0.407 500 1HG1 ILE 67 1HG1 ILE 67 5.236 5.142 1.520 501 2HG1 ILE 67 2HG1 ILE 67 4.885 3.566 2.151 502 1HG2 ILE 67 1HG2 ILE 67 3.804 6.100 -0.292 503 2HG2 ILE 67 2HG2 ILE 67 5.234 5.335 -0.981 504 3HG2 ILE 67 3HG2 ILE 67 3.643 5.008 -1.697 505 1HD1 ILE 67 1HD1 ILE 67 6.467 2.446 0.850 506 2HD1 ILE 67 2HD1 ILE 67 6.655 3.784 -0.258 507 3HD1 ILE 67 3HD1 ILE 67 7.264 3.933 1.401 508 H ALA 68 H ALA 68 0.465 5.516 0.740 509 HA ALA 68 HA ALA 68 -0.321 4.682 -1.938 510 1HB ALA 68 1HB ALA 68 -2.083 4.036 0.469 511 2HB ALA 68 2HB ALA 68 -2.587 3.948 -1.237 512 3HB ALA 68 3HB ALA 68 -1.313 2.880 -0.638 513 H SER 69 H SER 69 -1.353 6.414 -2.853 514 HA SER 69 HA SER 69 -1.718 8.920 -1.467 515 1HB SER 69 1HB SER 69 -2.902 9.533 -3.612 516 2HB SER 69 2HB SER 69 -1.286 8.802 -3.866 517 HG SER 69 HG SER 69 -2.506 7.900 -5.239 518 H ASN 70 H ASN 70 -3.850 6.128 -1.885 519 HA ASN 70 HA ASN 70 -6.052 7.379 -0.558 520 1HB ASN 70 1HB ASN 70 -5.823 8.035 -3.320 521 2HB ASN 70 2HB ASN 70 -6.823 6.584 -3.383 522 1HD2 ASN 70 1HD2 ASN 70 -7.233 9.691 -3.644 523 2HD2 ASN 70 2HD2 ASN 70 -8.436 10.083 -2.464 524 H VAL 71 H VAL 71 -8.113 5.740 -1.320 525 HA VAL 71 HA VAL 71 -7.134 2.969 -1.514 526 HB VAL 71 HB VAL 71 -7.025 3.722 0.829 527 1HG1 VAL 71 1HG1 VAL 71 -9.002 4.025 2.187 528 2HG1 VAL 71 2HG1 VAL 71 -8.992 5.256 0.912 529 3HG1 VAL 71 3HG1 VAL 71 -10.064 3.840 0.773 530 1HG2 VAL 71 1HG2 VAL 71 -9.061 1.572 0.713 531 2HG2 VAL 71 2HG2 VAL 71 -7.351 1.379 0.201 532 3HG2 VAL 71 3HG2 VAL 71 -7.699 1.882 1.852 533 H GLY 72 H GLY 72 -8.789 1.521 -2.125 534 1HA GLY 72 1HA GLY 72 -10.605 2.236 -4.086 535 2HA GLY 72 2HA GLY 72 -10.757 0.804 -3.088 536 H ARG 73 H ARG 73 -11.157 1.610 -0.679 537 HA ARG 73 HA ARG 73 -12.663 3.590 0.340 538 1HB ARG 73 1HB ARG 73 -14.459 3.327 -1.219 539 2HB ARG 73 2HB ARG 73 -14.525 1.572 -0.997 540 1HG ARG 73 1HG ARG 73 -15.335 1.988 1.382 541 2HG ARG 73 2HG ARG 73 -15.275 3.705 1.056 542 1HD ARG 73 1HD ARG 73 -17.418 3.481 0.414 543 2HD ARG 73 2HD ARG 73 -16.790 2.821 -1.076 544 HE ARG 73 HE ARG 73 -17.403 0.686 -0.459 545 1HH1 ARG 73 2HH2 ARG 73 -18.151 2.929 2.207 546 2HH1 ARG 73 1HH2 ARG 73 -19.092 1.832 3.111 547 1HH2 ARG 73 2HH1 ARG 73 -18.792 -0.776 0.665 548 2HH2 ARG 73 1HH1 ARG 73 -19.439 -0.387 2.215 549 H ASN 74 H ASN 74 -13.802 0.263 0.320 550 HA ASN 74 HA ASN 74 -13.389 -0.037 3.148 551 1HB ASN 74 1HB ASN 74 -14.884 -1.365 1.061 552 2HB ASN 74 2HB ASN 74 -13.825 -2.559 1.788 553 1HD2 ASN 74 1HD2 ASN 74 -15.511 0.295 3.393 554 2HD2 ASN 74 2HD2 ASN 74 -16.374 -0.753 4.481 555 H ALA 75 H ALA 75 -11.560 -0.529 4.079 556 HA ALA 75 HA ALA 75 -9.948 -2.561 4.113 557 1HB ALA 75 1HB ALA 75 -8.685 -0.789 2.001 558 2HB ALA 75 2HB ALA 75 -7.867 -2.083 2.899 559 3HB ALA 75 3HB ALA 75 -9.170 -2.502 1.804 560 H PHE 76 H PHE 76 -9.990 0.979 4.011 561 HA PHE 76 HA PHE 76 -7.628 1.587 5.450 562 1HB PHE 76 1HB PHE 76 -8.709 3.303 4.304 563 2HB PHE 76 2HB PHE 76 -10.291 2.925 4.957 564 HD1 PHE 76 HD1 PHE 76 -6.988 4.475 5.725 565 HD2 PHE 76 HD2 PHE 76 -11.088 3.963 6.977 566 HE1 PHE 76 HE1 PHE 76 -6.787 6.452 7.163 567 HE2 PHE 76 HE2 PHE 76 -10.860 5.896 8.488 568 HZ PHE 76 HZ PHE 76 -8.766 7.176 8.572 569 H GLU 77 H GLU 77 -10.897 0.841 6.548 570 HA GLU 77 HA GLU 77 -10.513 1.276 9.359 571 1HB GLU 77 1HB GLU 77 -12.445 -0.535 7.861 572 2HB GLU 77 2HB GLU 77 -12.584 -0.059 9.565 573 1HG GLU 77 1HG GLU 77 -13.207 2.141 9.045 574 2HG GLU 77 2HG GLU 77 -12.481 2.122 7.456 575 H THR 78 H THR 78 -9.856 -1.458 7.175 576 HA THR 78 HA THR 78 -9.294 -3.313 9.314 577 HB THR 78 HB THR 78 -8.586 -3.810 6.397 578 HG1 THR 78 HG1 THR 78 -10.722 -4.271 5.974 579 1HG2 THR 78 1HG2 THR 78 -9.797 -5.468 8.637 580 2HG2 THR 78 2HG2 THR 78 -9.554 -6.028 6.990 581 3HG2 THR 78 3HG2 THR 78 -8.150 -5.611 7.968 582 H LEU 79 H LEU 79 -7.535 -0.867 7.545 583 HA LEU 79 HA LEU 79 -4.886 -2.061 7.861 584 1HB LEU 79 1HB LEU 79 -5.687 0.862 7.386 585 2HB LEU 79 2HB LEU 79 -4.040 0.271 7.391 586 HG LEU 79 HG LEU 79 -6.170 -0.607 5.420 587 1HD1 LEU 79 1HD1 LEU 79 -3.784 1.139 4.836 588 2HD1 LEU 79 2HD1 LEU 79 -5.044 0.681 3.704 589 3HD1 LEU 79 3HD1 LEU 79 -5.427 1.756 5.060 590 1HD2 LEU 79 1HD2 LEU 79 -3.705 -1.331 4.362 591 2HD2 LEU 79 2HD2 LEU 79 -3.548 -1.759 6.059 592 3HD2 LEU 79 3HD2 LEU 79 -4.895 -2.396 5.119 593 H LYS 80 H LYS 80 -6.535 0.637 9.552 594 HA LYS 80 HA LYS 80 -4.673 0.865 11.682 595 1HB LYS 80 1HB LYS 80 -6.635 2.021 12.764 596 2HB LYS 80 2HB LYS 80 -5.982 2.666 11.276 597 1HG LYS 80 1HG LYS 80 -8.062 1.177 10.275 598 2HG LYS 80 2HG LYS 80 -8.706 1.481 11.852 599 1HD LYS 80 1HD LYS 80 -9.382 3.119 10.088 600 2HD LYS 80 2HD LYS 80 -8.620 3.902 11.477 601 1HE LYS 80 1HE LYS 80 -6.760 3.126 9.286 602 2HE LYS 80 2HE LYS 80 -8.036 4.186 8.756 603 1HZ LYS 80 1HZ LYS 80 -7.373 5.801 10.446 604 2HZ LYS 80 2HZ LYS 80 -6.166 4.802 10.981 605 3HZ LYS 80 3HZ LYS 80 -6.095 5.395 9.473 606 H ALA 81 H ALA 81 -7.523 -1.217 11.314 607 HA ALA 81 HA ALA 81 -7.503 -2.304 13.916 608 1HB ALA 81 1HB ALA 81 -9.318 -2.661 12.295 609 2HB ALA 81 2HB ALA 81 -8.247 -3.698 11.320 610 3HB ALA 81 3HB ALA 81 -8.712 -4.188 12.958 611 H ALA 82 H ALA 82 -4.910 -2.639 11.617 612 HA ALA 82 HA ALA 82 -3.757 -4.670 13.501 613 1HB ALA 82 1HB ALA 82 -4.125 -5.830 11.387 614 2HB ALA 82 2HB ALA 82 -3.507 -4.470 10.462 615 3HB ALA 82 3HB ALA 82 -2.408 -5.446 11.464 616 H GLY 83 H GLY 83 -3.847 -1.763 13.625 617 1HA GLY 83 1HA GLY 83 -2.634 0.026 13.935 618 2HA GLY 83 2HA GLY 83 -1.305 -1.027 14.455 619 H VAL 84 H VAL 84 -2.499 -1.064 11.104 620 HA VAL 84 HA VAL 84 0.235 -0.695 10.340 621 HB VAL 84 HB VAL 84 -2.230 -0.919 8.534 622 1HG1 VAL 84 1HG1 VAL 84 0.011 -0.398 7.453 623 2HG1 VAL 84 2HG1 VAL 84 0.580 -1.933 8.152 624 3HG1 VAL 84 3HG1 VAL 84 -0.704 -1.964 6.967 625 1HG2 VAL 84 1HG2 VAL 84 -1.871 -3.383 8.616 626 2HG2 VAL 84 2HG2 VAL 84 -0.610 -3.151 9.855 627 3HG2 VAL 84 3HG2 VAL 84 -2.276 -2.723 10.204 628 H LYS 85 H LYS 85 1.284 1.047 9.637 629 HA LYS 85 HA LYS 85 -0.147 3.566 9.617 630 1HB LYS 85 1HB LYS 85 2.644 2.637 9.727 631 2HB LYS 85 2HB LYS 85 2.471 3.914 8.539 632 1HG LYS 85 1HG LYS 85 1.491 5.433 10.174 633 2HG LYS 85 2HG LYS 85 1.443 4.131 11.387 634 1HD LYS 85 1HD LYS 85 4.014 3.974 11.001 635 2HD LYS 85 2HD LYS 85 3.871 5.558 10.232 636 1HE LYS 85 1HE LYS 85 3.026 6.542 12.282 637 2HE LYS 85 2HE LYS 85 2.676 4.954 12.966 638 1HZ LYS 85 1HZ LYS 85 4.531 5.536 14.062 639 2HZ LYS 85 2HZ LYS 85 5.152 4.595 12.913 640 3HZ LYS 85 3HZ LYS 85 5.296 6.253 12.775 641 H VAL 86 H VAL 86 0.268 5.101 7.663 642 HA VAL 86 HA VAL 86 0.208 3.776 5.046 643 HB VAL 86 HB VAL 86 -2.210 5.370 6.070 644 1HG1 VAL 86 1HG1 VAL 86 -3.133 4.295 3.820 645 2HG1 VAL 86 2HG1 VAL 86 -2.028 5.703 3.740 646 3HG1 VAL 86 3HG1 VAL 86 -1.388 4.102 3.446 647 1HG2 VAL 86 1HG2 VAL 86 -3.474 3.233 5.876 648 2HG2 VAL 86 2HG2 VAL 86 -1.916 2.383 5.678 649 3HG2 VAL 86 3HG2 VAL 86 -2.298 3.210 7.181 650 H TYR 87 H TYR 87 1.636 5.200 4.027 651 HA TYR 87 HA TYR 87 1.601 8.109 4.613 652 1HB TYR 87 1HB TYR 87 3.370 6.170 3.097 653 2HB TYR 87 2HB TYR 87 3.430 7.841 2.655 654 HD1 TYR 87 HD1 TYR 87 4.266 9.530 4.252 655 HD2 TYR 87 HD2 TYR 87 4.147 5.373 5.327 656 HE1 TYR 87 HE1 TYR 87 5.997 9.972 5.926 657 HE2 TYR 87 HE2 TYR 87 6.049 5.783 6.943 658 HH TYR 87 HH TYR 87 7.681 7.333 7.657 659 H ARG 88 H ARG 88 1.377 9.540 2.867 660 HA ARG 88 HA ARG 88 -0.419 8.786 0.638 661 1HB ARG 88 1HB ARG 88 -0.618 10.997 1.934 662 2HB ARG 88 2HB ARG 88 0.970 11.422 1.329 663 1HG ARG 88 1HG ARG 88 -0.005 12.410 -0.414 664 2HG ARG 88 2HG ARG 88 -0.489 10.837 -1.014 665 1HD ARG 88 1HD ARG 88 -2.636 10.941 -0.088 666 2HD ARG 88 2HD ARG 88 -2.206 12.323 0.953 667 HE ARG 88 HE ARG 88 -2.366 12.430 -2.033 668 1HH1 ARG 88 2HH2 ARG 88 -3.270 13.902 1.093 669 2HH1 ARG 88 1HH2 ARG 88 -3.890 15.327 0.388 670 1HH2 ARG 88 2HH1 ARG 88 -2.800 14.523 -2.887 671 2HH2 ARG 88 1HH1 ARG 88 -3.657 15.679 -1.910 672 H PHE 89 H PHE 89 0.419 9.147 -1.578 673 HA PHE 89 HA PHE 89 3.110 10.058 -1.950 674 1HB PHE 89 1HB PHE 89 4.071 8.157 -2.605 675 2HB PHE 89 2HB PHE 89 2.666 7.270 -2.118 676 HD1 PHE 89 HD1 PHE 89 4.787 7.500 -4.950 677 HD2 PHE 89 HD2 PHE 89 0.588 7.466 -3.823 678 HE1 PHE 89 HE1 PHE 89 4.164 6.983 -7.181 679 HE2 PHE 89 HE2 PHE 89 0.007 6.891 -6.165 680 HZ PHE 89 HZ PHE 89 1.776 6.754 -7.883 681 H GLU 90 H GLU 90 3.128 10.581 -4.648 682 HA GLU 90 HA GLU 90 0.366 10.868 -5.606 683 1HB GLU 90 1HB GLU 90 0.854 12.832 -4.059 684 2HB GLU 90 2HB GLU 90 1.999 13.413 -5.253 685 1HG GLU 90 1HG GLU 90 0.276 13.905 -6.803 686 2HG GLU 90 2HG GLU 90 -0.827 12.733 -6.104 687 H GLY 91 H GLY 91 2.535 9.342 -6.664 688 1HA GLY 91 1HA GLY 91 2.300 8.973 -9.099 689 2HA GLY 91 2HA GLY 91 2.756 10.659 -9.361 690 H GLY 92 H GLY 92 3.974 7.616 -9.620 691 1HA GLY 92 1HA GLY 92 6.714 8.107 -9.757 692 2HA GLY 92 2HA GLY 92 6.303 7.775 -8.053 693 H THR 93 H THR 93 7.933 6.001 -9.593 694 HA THR 93 HA THR 93 6.237 3.651 -10.048 695 HB THR 93 HB THR 93 8.224 2.540 -10.620 696 HG1 THR 93 HG1 THR 93 10.036 4.636 -10.338 697 1HG2 THR 93 1HG2 THR 93 8.427 5.276 -11.907 698 2HG2 THR 93 2HG2 THR 93 8.920 3.714 -12.588 699 3HG2 THR 93 3HG2 THR 93 7.194 4.057 -12.306 700 H VAL 94 H VAL 94 6.748 1.594 -8.775 701 HA VAL 94 HA VAL 94 6.546 1.647 -6.140 702 HB VAL 94 HB VAL 94 8.573 -0.101 -7.462 703 1HG1 VAL 94 1HG1 VAL 94 7.981 -1.733 -5.689 704 2HG1 VAL 94 2HG1 VAL 94 8.717 -0.268 -5.044 705 3HG1 VAL 94 3HG1 VAL 94 6.955 -0.500 -4.937 706 1HG2 VAL 94 1HG2 VAL 94 6.585 -0.451 -8.742 707 2HG2 VAL 94 2HG2 VAL 94 7.187 -1.855 -7.858 708 3HG2 VAL 94 3HG2 VAL 94 5.805 -1.023 -7.249 709 H GLN 95 H GLN 95 9.812 2.017 -7.701 710 HA GLN 95 HA GLN 95 11.137 2.321 -5.296 711 1HB GLN 95 1HB GLN 95 11.919 2.100 -7.865 712 2HB GLN 95 2HB GLN 95 12.167 3.841 -7.708 713 1HG GLN 95 1HG GLN 95 13.325 1.921 -5.634 714 2HG GLN 95 2HG GLN 95 14.090 2.087 -7.208 715 1HE2 GLN 95 1HE2 GLN 95 13.945 3.449 -4.056 716 2HE2 GLN 95 2HE2 GLN 95 14.885 4.878 -4.392 717 H GLU 96 H GLU 96 9.325 4.832 -6.905 718 HA GLU 96 HA GLU 96 10.660 7.124 -5.705 719 1HB GLU 96 1HB GLU 96 7.982 6.592 -7.036 720 2HB GLU 96 2HB GLU 96 8.439 8.201 -6.517 721 1HG GLU 96 1HG GLU 96 9.706 6.463 -8.678 722 2HG GLU 96 2HG GLU 96 8.732 7.891 -8.918 723 H ALA 97 H ALA 97 7.609 5.195 -5.163 724 HA ALA 97 HA ALA 97 6.721 6.509 -2.893 725 1HB ALA 97 1HB ALA 97 6.605 3.717 -4.005 726 2HB ALA 97 2HB ALA 97 6.066 3.937 -2.363 727 3HB ALA 97 3HB ALA 97 5.299 4.861 -3.678 728 H ILE 98 H ILE 98 9.619 4.527 -3.183 729 HA ILE 98 HA ILE 98 9.883 4.210 -0.249 730 HB ILE 98 HB ILE 98 11.947 3.360 -2.321 731 1HG1 ILE 98 1HG1 ILE 98 10.043 2.647 -3.218 732 2HG1 ILE 98 2HG1 ILE 98 10.867 1.200 -2.577 733 1HG2 ILE 98 1HG2 ILE 98 12.594 3.155 0.016 734 2HG2 ILE 98 2HG2 ILE 98 11.144 2.205 0.397 735 3HG2 ILE 98 3HG2 ILE 98 12.393 1.543 -0.685 736 1HD1 ILE 98 1HD1 ILE 98 8.505 0.957 -2.182 737 2HD1 ILE 98 2HD1 ILE 98 9.273 1.266 -0.598 738 3HD1 ILE 98 3HD1 ILE 98 8.350 2.539 -1.404 739 H ASP 99 H ASP 99 11.761 5.617 -3.049 740 HA ASP 99 HA ASP 99 13.785 6.728 -1.426 741 1HB ASP 99 1HB ASP 99 13.158 6.690 -4.191 742 2HB ASP 99 2HB ASP 99 13.227 8.390 -3.751 743 H ALA 100 H ALA 100 10.528 7.721 -2.186 744 HA ALA 100 HA ALA 100 10.871 10.484 -1.322 745 1HB ALA 100 1HB ALA 100 8.427 10.586 -1.557 746 2HB ALA 100 2HB ALA 100 9.139 9.768 -2.963 747 3HB ALA 100 3HB ALA 100 8.344 8.805 -1.721 748 H PHE 101 H PHE 101 9.345 7.561 0.077 749 HA PHE 101 HA PHE 101 8.782 8.577 2.657 750 1HB PHE 101 1HB PHE 101 7.718 6.676 2.168 751 2HB PHE 101 2HB PHE 101 9.072 5.916 1.331 752 HD1 PHE 101 HD1 PHE 101 10.968 4.869 2.615 753 HD2 PHE 101 HD2 PHE 101 7.141 5.830 4.308 754 HE1 PHE 101 HE1 PHE 101 11.486 3.438 4.585 755 HE2 PHE 101 HE2 PHE 101 7.570 4.226 6.175 756 HZ PHE 101 HZ PHE 101 9.784 3.095 6.350 757 H SER 102 H SER 102 11.652 6.975 1.394 758 HA SER 102 HA SER 102 12.901 6.523 3.891 759 1HB SER 102 1HB SER 102 14.748 5.718 2.695 760 2HB SER 102 2HB SER 102 13.328 5.374 1.694 761 HG SER 102 HG SER 102 15.453 7.106 1.212 762 H GLU 103 H GLU 103 13.250 9.179 1.482 763 HA GLU 103 HA GLU 103 14.897 10.650 3.464 764 1HB GLU 103 1HB GLU 103 13.859 11.445 0.708 765 2HB GLU 103 2HB GLU 103 15.149 12.210 1.628 766 1HG GLU 103 1HG GLU 103 15.927 9.444 1.278 767 2HG GLU 103 2HG GLU 103 15.261 9.989 -0.251 768 H GLY 104 H GLY 104 12.074 9.998 4.037 769 1HA GLY 104 1HA GLY 104 10.452 10.947 5.237 770 2HA GLY 104 2HA GLY 104 11.558 12.316 5.512 771 H ARG 105 H ARG 105 10.747 11.858 2.164 772 HA ARG 105 HA ARG 105 9.307 14.416 2.179 773 1HB ARG 105 1HB ARG 105 9.928 12.528 -0.128 774 2HB ARG 105 2HB ARG 105 9.515 14.221 -0.219 775 1HG ARG 105 1HG ARG 105 11.774 14.730 0.838 776 2HG ARG 105 2HG ARG 105 12.076 12.990 0.866 777 1HD ARG 105 1HD ARG 105 13.105 13.349 -1.090 778 2HD ARG 105 2HD ARG 105 11.477 13.142 -1.731 779 HE ARG 105 HE ARG 105 12.830 15.738 -1.126 780 1HH1 ARG 105 2HH2 ARG 105 10.516 13.980 -3.272 781 2HH1 ARG 105 1HH2 ARG 105 10.278 15.326 -4.300 782 1HH2 ARG 105 2HH1 ARG 105 12.745 17.295 -2.704 783 2HH2 ARG 105 1HH1 ARG 105 11.578 17.297 -3.988 784 H LEU 106 H LEU 106 7.722 12.104 3.343 785 HA LEU 106 HA LEU 106 5.567 12.299 1.348 786 1HB LEU 106 1HB LEU 106 6.481 9.781 2.798 787 2HB LEU 106 2HB LEU 106 4.877 9.903 2.132 788 HG LEU 106 HG LEU 106 7.498 9.818 0.636 789 1HD1 LEU 106 1HD1 LEU 106 6.100 7.756 1.482 790 2HD1 LEU 106 2HD1 LEU 106 4.975 8.154 0.207 791 3HD1 LEU 106 3HD1 LEU 106 6.643 7.770 -0.210 792 1HD2 LEU 106 1HD2 LEU 106 5.941 9.802 -1.485 793 2HD2 LEU 106 2HD2 LEU 106 4.715 10.554 -0.445 794 3HD2 LEU 106 3HD2 LEU 106 6.234 11.377 -0.766 795 H GLU 107 H GLU 107 3.413 11.639 2.526 796 HA GLU 107 HA GLU 107 3.338 13.238 5.045 797 1HB GLU 107 1HB GLU 107 0.886 12.750 3.382 798 2HB GLU 107 2HB GLU 107 1.316 14.146 4.354 799 1HG GLU 107 1HG GLU 107 2.363 13.376 1.603 800 2HG GLU 107 2HG GLU 107 1.254 14.691 1.979 801 H GLU 108 H GLU 108 2.061 12.306 6.806 802 HA GLU 108 HA GLU 108 1.586 9.396 6.534 803 1HB GLU 108 1HB GLU 108 2.687 10.350 8.595 804 2HB GLU 108 2HB GLU 108 1.096 11.114 8.977 805 1HG GLU 108 1HG GLU 108 0.005 8.932 8.962 806 2HG GLU 108 2HG GLU 108 1.429 8.170 8.383 807 H LEU 109 H LEU 109 -0.197 8.842 5.561 808 HA LEU 109 HA LEU 109 -2.584 10.548 5.528 809 1HB LEU 109 1HB LEU 109 -1.466 9.500 3.469 810 2HB LEU 109 2HB LEU 109 -2.187 7.990 4.017 811 HG LEU 109 HG LEU 109 -4.409 9.219 4.034 812 1HD1 LEU 109 1HD1 LEU 109 -2.767 11.452 2.860 813 2HD1 LEU 109 2HD1 LEU 109 -4.516 11.294 2.546 814 3HD1 LEU 109 3HD1 LEU 109 -3.926 11.521 4.185 815 1HD2 LEU 109 1HD2 LEU 109 -4.783 9.108 1.673 816 2HD2 LEU 109 2HD2 LEU 109 -2.988 9.110 1.386 817 3HD2 LEU 109 3HD2 LEU 109 -3.769 7.756 2.230 818 H THR 110 H THR 110 -2.323 9.885 8.067 819 HA THR 110 HA THR 110 -3.371 7.225 8.567 820 HB THR 110 HB THR 110 -1.564 7.637 9.771 821 HG1 THR 110 HG1 THR 110 -4.012 7.511 11.168 822 1HG2 THR 110 1HG2 THR 110 -3.262 9.876 10.788 823 2HG2 THR 110 2HG2 THR 110 -1.646 9.441 11.471 824 3HG2 THR 110 3HG2 THR 110 -1.809 10.003 9.781 825 H THR 111 H THR 111 -5.238 9.030 7.189 826 HA THR 111 HA THR 111 -7.695 8.949 8.546 827 HB THR 111 HB THR 111 -6.881 10.225 10.303 828 HG1 THR 111 HG1 THR 111 -8.080 11.862 10.375 829 1HG2 THR 111 1HG2 THR 111 -5.864 12.523 9.998 830 2HG2 THR 111 2HG2 THR 111 -4.815 11.177 9.608 831 3HG2 THR 111 3HG2 THR 111 -5.579 12.059 8.297 832 H PHE 112 H PHE 112 -8.291 8.363 6.438 833 HA PHE 112 HA PHE 112 -8.904 10.502 4.637 834 1HB PHE 112 1HB PHE 112 -7.764 9.745 2.753 835 2HB PHE 112 2HB PHE 112 -6.579 10.006 3.999 836 HD1 PHE 112 HD1 PHE 112 -7.598 7.833 1.455 837 HD2 PHE 112 HD2 PHE 112 -5.952 7.798 5.436 838 HE1 PHE 112 HE1 PHE 112 -6.472 5.691 1.032 839 HE2 PHE 112 HE2 PHE 112 -4.898 5.616 5.007 840 HZ PHE 112 HZ PHE 112 -5.163 4.531 2.772 841 H THR 113 H THR 113 -10.224 9.314 2.727 842 HA THR 113 HA THR 113 -11.328 6.700 3.317 843 HB THR 113 HB THR 113 -13.686 7.962 3.122 844 HG1 THR 113 HG1 THR 113 -13.727 9.939 4.023 845 1HG2 THR 113 1HG2 THR 113 -14.049 7.794 5.495 846 2HG2 THR 113 2HG2 THR 113 -12.990 6.454 5.023 847 3HG2 THR 113 3HG2 THR 113 -12.314 7.874 5.843 848 H ARG 114 H ARG 114 -13.025 6.238 1.481 849 HA ARG 114 HA ARG 114 -13.175 8.296 -0.489 850 1HB ARG 114 1HB ARG 114 -11.080 6.837 -1.133 851 2HB ARG 114 2HB ARG 114 -12.238 5.577 -1.536 852 1HG ARG 114 1HG ARG 114 -11.390 6.890 -3.470 853 2HG ARG 114 2HG ARG 114 -13.139 6.941 -3.351 854 1HD ARG 114 1HD ARG 114 -13.090 9.180 -2.388 855 2HD ARG 114 2HD ARG 114 -11.317 9.109 -2.245 856 HE ARG 114 HE ARG 114 -12.247 8.738 -4.971 857 1HH1 ARG 114 2HH2 ARG 114 -11.147 11.269 -2.602 858 2HH1 ARG 114 1HH2 ARG 114 -10.510 12.230 -3.877 859 1HH2 ARG 114 2HH1 ARG 114 -11.558 10.257 -6.582 860 2HH2 ARG 114 1HH1 ARG 114 -10.829 11.725 -6.050 861 H GLU 115 H GLU 115 -14.775 7.500 -2.316 862 HA GLU 115 HA GLU 115 -16.540 5.389 -1.496 863 1HB GLU 115 1HB GLU 115 -18.568 6.780 -1.216 864 2HB GLU 115 2HB GLU 115 -17.340 6.987 0.024 865 1HG GLU 115 1HG GLU 115 -16.587 9.115 -1.154 866 2HG GLU 115 2HG GLU 115 -17.967 8.924 -2.238 867 H GLY 116 H GLY 116 -15.118 5.345 -3.611 868 1HA GLY 116 1HA GLY 116 -17.135 5.547 -5.753 869 2HA GLY 116 2HA GLY 116 -15.391 5.581 -6.116 Start of MODEL 4 1 1H MET 1 H1 MET 1 11.663 -0.122 12.151 2 HA MET 1 HA MET 1 12.731 -1.952 10.070 3 1HB MET 1 1HB MET 1 12.596 -2.233 13.104 4 2HB MET 1 2HB MET 1 12.955 -3.573 12.013 5 1HG MET 1 1HG MET 1 14.929 -2.348 11.145 6 2HG MET 1 2HG MET 1 14.558 -0.992 12.210 7 1HE MET 1 1HE MET 1 17.463 -2.119 12.202 8 2HE MET 1 2HE MET 1 16.830 -0.814 13.226 9 3HE MET 1 3HE MET 1 17.753 -2.143 13.956 10 H ALA 2 H ALA 2 10.914 -2.574 8.867 11 HA ALA 2 HA ALA 2 8.634 -3.738 10.170 12 1HB ALA 2 1HB ALA 2 8.325 -1.161 8.523 13 2HB ALA 2 2HB ALA 2 7.010 -2.081 9.277 14 3HB ALA 2 3HB ALA 2 8.159 -1.214 10.299 15 H ARG 3 H ARG 3 6.836 -3.975 8.267 16 HA ARG 3 HA ARG 3 8.290 -4.054 5.694 17 1HB ARG 3 1HB ARG 3 6.038 -5.814 6.613 18 2HB ARG 3 2HB ARG 3 6.318 -5.396 4.923 19 1HG ARG 3 1HG ARG 3 8.144 -6.776 4.802 20 2HG ARG 3 2HG ARG 3 8.800 -6.120 6.305 21 1HD ARG 3 1HD ARG 3 6.892 -8.423 6.134 22 2HD ARG 3 2HD ARG 3 8.589 -8.436 6.486 23 HE ARG 3 HE ARG 3 6.521 -7.151 8.227 24 1HH1 ARG 3 2HH2 ARG 3 9.799 -8.636 7.926 25 2HH1 ARG 3 1HH2 ARG 3 10.087 -8.497 9.631 26 1HH2 ARG 3 2HH1 ARG 3 7.086 -6.936 10.541 27 2HH2 ARG 3 1HH1 ARG 3 8.712 -7.373 10.959 28 H VAL 4 H VAL 4 7.380 -2.956 3.955 29 HA VAL 4 HA VAL 4 5.032 -1.297 4.567 30 HB VAL 4 HB VAL 4 7.295 -0.205 4.797 31 1HG1 VAL 4 1HG1 VAL 4 7.613 -0.604 1.919 32 2HG1 VAL 4 2HG1 VAL 4 8.277 0.842 2.711 33 3HG1 VAL 4 3HG1 VAL 4 8.743 -0.723 3.340 34 1HG2 VAL 4 1HG2 VAL 4 5.989 1.287 2.525 35 2HG2 VAL 4 2HG2 VAL 4 4.933 0.891 3.842 36 3HG2 VAL 4 3HG2 VAL 4 6.400 1.884 4.153 37 H ALA 5 H ALA 5 3.415 -1.311 2.985 38 HA ALA 5 HA ALA 5 4.182 -3.072 0.720 39 1HB ALA 5 1HB ALA 5 1.664 -3.215 0.395 40 2HB ALA 5 2HB ALA 5 2.296 -3.947 1.867 41 3HB ALA 5 3HB ALA 5 1.480 -2.359 1.945 42 H ILE 6 H ILE 6 3.993 -2.240 -1.376 43 HA ILE 6 HA ILE 6 2.973 0.527 -1.639 44 HB ILE 6 HB ILE 6 5.268 -0.651 -3.153 45 1HG1 ILE 6 1HG1 ILE 6 6.321 1.429 -1.861 46 2HG1 ILE 6 2HG1 ILE 6 5.099 1.025 -0.673 47 1HG2 ILE 6 1HG2 ILE 6 4.106 2.154 -3.151 48 2HG2 ILE 6 2HG2 ILE 6 5.523 1.584 -4.064 49 3HG2 ILE 6 3HG2 ILE 6 3.924 0.958 -4.459 50 1HD1 ILE 6 1HD1 ILE 6 7.274 -0.065 -0.207 51 2HD1 ILE 6 2HD1 ILE 6 6.017 -1.250 -0.444 52 3HD1 ILE 6 3HD1 ILE 6 7.170 -0.947 -1.748 53 HA PRO 7 HA PRO 7 0.095 -1.793 -4.229 54 1HB PRO 7 1HB PRO 7 -1.474 0.395 -4.840 55 2HB PRO 7 2HB PRO 7 -1.510 -0.430 -3.237 56 1HG PRO 7 1HG PRO 7 -0.247 2.159 -4.120 57 2HG PRO 7 2HG PRO 7 -0.984 1.757 -2.536 58 1HD PRO 7 1HD PRO 7 1.678 1.707 -3.176 59 2HD PRO 7 2HD PRO 7 0.930 0.913 -1.739 60 H SER 8 H SER 8 1.333 -2.376 -6.009 61 HA SER 8 HA SER 8 2.253 -0.313 -7.939 62 1HB SER 8 1HB SER 8 3.832 -2.003 -7.053 63 2HB SER 8 2HB SER 8 2.775 -3.314 -7.562 64 HG SER 8 HG SER 8 4.231 -3.218 -9.095 65 H VAL 9 H VAL 9 1.992 -1.134 -10.247 66 HA VAL 9 HA VAL 9 -0.251 -3.013 -10.658 67 HB VAL 9 HB VAL 9 -1.003 -1.755 -12.658 68 1HG1 VAL 9 1HG1 VAL 9 -1.005 0.143 -10.297 69 2HG1 VAL 9 2HG1 VAL 9 -2.209 0.024 -11.578 70 3HG1 VAL 9 3HG1 VAL 9 -2.057 -1.304 -10.404 71 1HG2 VAL 9 1HG2 VAL 9 -0.348 0.533 -13.128 72 2HG2 VAL 9 2HG2 VAL 9 0.734 0.589 -11.748 73 3HG2 VAL 9 3HG2 VAL 9 1.127 -0.449 -13.144 74 H GLY 10 H GLY 10 2.532 -3.601 -10.396 75 1HA GLY 10 1HA GLY 10 2.564 -5.450 -12.501 76 2HA GLY 10 2HA GLY 10 3.762 -4.209 -12.873 77 H LYS 11 H LYS 11 4.871 -6.518 -12.592 78 HA LYS 11 HA LYS 11 5.453 -7.290 -9.791 79 1HB LYS 11 1HB LYS 11 5.808 -8.718 -12.466 80 2HB LYS 11 2HB LYS 11 6.271 -9.414 -10.899 81 1HG LYS 11 1HG LYS 11 4.062 -9.689 -10.274 82 2HG LYS 11 2HG LYS 11 3.510 -8.558 -11.535 83 1HD LYS 11 1HD LYS 11 4.935 -11.038 -12.469 84 2HD LYS 11 2HD LYS 11 3.291 -11.218 -11.837 85 1HE LYS 11 1HE LYS 11 2.493 -9.412 -13.340 86 2HE LYS 11 2HE LYS 11 4.103 -9.272 -14.052 87 1HZ LYS 11 1HZ LYS 11 2.571 -11.793 -14.114 88 2HZ LYS 11 2HZ LYS 11 2.385 -10.638 -15.247 89 3HZ LYS 11 3HZ LYS 11 3.853 -11.364 -15.059 90 H ASP 12 H ASP 12 6.615 -4.896 -10.584 91 HA ASP 12 HA ASP 12 9.486 -5.529 -10.638 92 1HB ASP 12 1HB ASP 12 8.068 -4.223 -12.889 93 2HB ASP 12 2HB ASP 12 9.336 -3.228 -12.253 94 H LEU 13 H LEU 13 10.615 -3.957 -9.759 95 HA LEU 13 HA LEU 13 9.434 -2.245 -7.703 96 1HB LEU 13 1HB LEU 13 11.653 -3.733 -7.824 97 2HB LEU 13 2HB LEU 13 12.329 -2.292 -8.548 98 HG LEU 13 HG LEU 13 12.888 -2.498 -6.220 99 1HD1 LEU 13 1HD1 LEU 13 10.913 -0.217 -6.324 100 2HD1 LEU 13 2HD1 LEU 13 12.445 -0.325 -5.435 101 3HD1 LEU 13 3HD1 LEU 13 12.442 -0.214 -7.211 102 1HD2 LEU 13 1HD2 LEU 13 9.969 -2.339 -5.494 103 2HD2 LEU 13 2HD2 LEU 13 10.969 -3.805 -5.445 104 3HD2 LEU 13 3HD2 LEU 13 11.352 -2.431 -4.390 105 H SER 14 H SER 14 10.407 -1.906 -10.996 106 HA SER 14 HA SER 14 9.968 1.043 -10.826 107 1HB SER 14 1HB SER 14 12.103 -0.266 -11.825 108 2HB SER 14 2HB SER 14 10.986 -0.458 -13.186 109 HG SER 14 HG SER 14 12.398 1.378 -13.277 110 H SER 15 H SER 15 7.782 -0.862 -10.598 111 HA SER 15 HA SER 15 6.397 -0.369 -13.164 112 1HB SER 15 1HB SER 15 5.357 -1.598 -10.597 113 2HB SER 15 2HB SER 15 4.477 -1.543 -12.141 114 HG SER 15 HG SER 15 6.742 -2.975 -11.348 115 H MET 16 H MET 16 4.255 0.870 -12.939 116 HA MET 16 HA MET 16 4.611 3.264 -11.370 117 1HB MET 16 1HB MET 16 2.655 2.116 -13.337 118 2HB MET 16 2HB MET 16 1.973 3.238 -12.200 119 1HG MET 16 1HG MET 16 4.469 4.338 -13.207 120 2HG MET 16 2HG MET 16 3.464 3.800 -14.535 121 1HE MET 16 1HE MET 16 1.714 5.107 -11.190 122 2HE MET 16 2HE MET 16 3.325 5.857 -11.169 123 3HE MET 16 3HE MET 16 1.868 6.857 -11.402 124 H VAL 17 H VAL 17 3.683 3.902 -9.475 125 HA VAL 17 HA VAL 17 2.330 1.915 -7.804 126 HB VAL 17 HB VAL 17 3.184 4.792 -7.294 127 1HG1 VAL 17 1HG1 VAL 17 2.297 2.745 -5.221 128 2HG1 VAL 17 2HG1 VAL 17 3.042 4.330 -4.909 129 3HG1 VAL 17 3HG1 VAL 17 1.417 4.235 -5.631 130 1HG2 VAL 17 1HG2 VAL 17 4.355 2.138 -6.456 131 2HG2 VAL 17 2HG2 VAL 17 4.970 3.244 -7.689 132 3HG2 VAL 17 3HG2 VAL 17 4.981 3.757 -6.012 133 H SER 18 H SER 18 0.270 2.155 -6.952 134 HA SER 18 HA SER 18 -1.642 3.255 -8.909 135 1HB SER 18 1HB SER 18 -1.327 0.788 -8.359 136 2HB SER 18 2HB SER 18 -2.016 1.106 -6.794 137 HG SER 18 HG SER 18 -3.367 0.461 -8.806 138 H ASP 19 H ASP 19 -3.300 4.591 -8.341 139 HA ASP 19 HA ASP 19 -2.938 6.053 -5.905 140 1HB ASP 19 1HB ASP 19 -5.296 6.351 -7.792 141 2HB ASP 19 2HB ASP 19 -4.647 7.579 -6.724 142 H ARG 20 H ARG 20 -3.842 3.394 -5.313 143 HA ARG 20 HA ARG 20 -6.434 3.728 -3.960 144 1HB ARG 20 1HB ARG 20 -7.399 1.905 -5.594 145 2HB ARG 20 2HB ARG 20 -7.470 3.621 -6.027 146 1HG ARG 20 1HG ARG 20 -5.394 3.163 -7.496 147 2HG ARG 20 2HG ARG 20 -5.603 1.460 -7.071 148 1HD ARG 20 1HD ARG 20 -6.740 1.575 -9.035 149 2HD ARG 20 2HD ARG 20 -8.064 1.843 -7.890 150 HE ARG 20 HE ARG 20 -6.646 4.138 -9.174 151 1HH1 ARG 20 2HH2 ARG 20 -9.785 2.455 -8.742 152 2HH1 ARG 20 1HH2 ARG 20 -10.573 3.494 -9.882 153 1HH2 ARG 20 2HH1 ARG 20 -7.707 5.457 -10.510 154 2HH2 ARG 20 1HH1 ARG 20 -9.367 5.279 -10.942 155 H PHE 21 H PHE 21 -5.124 2.786 -2.122 156 HA PHE 21 HA PHE 21 -3.548 0.608 -2.318 157 1HB PHE 21 1HB PHE 21 -3.603 1.828 -0.305 158 2HB PHE 21 2HB PHE 21 -5.334 1.720 -0.141 159 HD1 PHE 21 HD1 PHE 21 -2.430 -0.599 -0.583 160 HD2 PHE 21 HD2 PHE 21 -6.147 0.166 1.471 161 HE1 PHE 21 HE1 PHE 21 -2.189 -2.698 0.580 162 HE2 PHE 21 HE2 PHE 21 -5.859 -1.945 2.743 163 HZ PHE 21 HZ PHE 21 -3.862 -3.336 2.395 164 H ALA 22 H ALA 22 -7.166 0.416 -1.810 165 HA ALA 22 HA ALA 22 -6.943 -2.447 -1.475 166 1HB ALA 22 1HB ALA 22 -9.381 -2.321 -1.145 167 2HB ALA 22 2HB ALA 22 -8.564 -1.090 -0.168 168 3HB ALA 22 3HB ALA 22 -9.395 -0.638 -1.680 169 H ARG 23 H ARG 23 -6.654 -0.643 -4.266 170 HA ARG 23 HA ARG 23 -8.026 -2.647 -5.936 171 1HB ARG 23 1HB ARG 23 -8.778 0.137 -5.526 172 2HB ARG 23 2HB ARG 23 -8.084 -0.040 -7.140 173 1HG ARG 23 1HG ARG 23 -10.113 -1.911 -5.946 174 2HG ARG 23 2HG ARG 23 -10.624 -0.499 -6.826 175 1HD ARG 23 1HD ARG 23 -8.589 -2.263 -8.231 176 2HD ARG 23 2HD ARG 23 -10.231 -2.838 -8.189 177 HE ARG 23 HE ARG 23 -9.155 -0.680 -9.765 178 1HH1 ARG 23 2HH2 ARG 23 -12.114 -1.822 -8.218 179 2HH1 ARG 23 1HH2 ARG 23 -13.179 -0.670 -8.950 180 1HH2 ARG 23 2HH1 ARG 23 -10.587 0.635 -11.065 181 2HH2 ARG 23 1HH1 ARG 23 -12.244 0.818 -10.570 182 H ALA 24 H ALA 24 -5.359 -2.763 -5.171 183 HA ALA 24 HA ALA 24 -4.014 -1.579 -7.501 184 1HB ALA 24 1HB ALA 24 -3.331 -0.416 -5.483 185 2HB ALA 24 2HB ALA 24 -3.028 -1.922 -4.603 186 3HB ALA 24 3HB ALA 24 -1.988 -1.470 -5.976 187 H GLU 25 H GLU 25 -2.420 -3.150 -8.454 188 HA GLU 25 HA GLU 25 -3.728 -5.763 -8.140 189 1HB GLU 25 1HB GLU 25 -2.086 -4.372 -10.259 190 2HB GLU 25 2HB GLU 25 -2.541 -6.100 -10.401 191 1HG GLU 25 1HG GLU 25 -4.948 -5.205 -9.874 192 2HG GLU 25 2HG GLU 25 -4.314 -3.632 -10.341 193 H TYR 26 H TYR 26 -0.522 -4.488 -7.288 194 HA TYR 26 HA TYR 26 0.274 -7.174 -6.613 195 1HB TYR 26 1HB TYR 26 1.816 -5.143 -8.308 196 2HB TYR 26 2HB TYR 26 2.557 -6.609 -7.650 197 HD1 TYR 26 HD1 TYR 26 0.314 -5.174 -10.180 198 HD2 TYR 26 HD2 TYR 26 2.136 -8.782 -8.704 199 HE1 TYR 26 HE1 TYR 26 -0.226 -6.288 -12.316 200 HE2 TYR 26 HE2 TYR 26 1.704 -9.876 -10.867 201 HH TYR 26 HH TYR 26 -0.258 -8.279 -13.459 202 H PHE 27 H PHE 27 1.357 -7.021 -4.720 203 HA PHE 27 HA PHE 27 1.709 -4.264 -3.556 204 1HB PHE 27 1HB PHE 27 0.948 -6.744 -2.009 205 2HB PHE 27 2HB PHE 27 1.448 -5.208 -1.312 206 HD1 PHE 27 HD1 PHE 27 0.021 -3.149 -1.678 207 HD2 PHE 27 HD2 PHE 27 -1.243 -7.070 -2.955 208 HE1 PHE 27 HE1 PHE 27 -2.308 -2.331 -1.979 209 HE2 PHE 27 HE2 PHE 27 -3.579 -6.252 -3.138 210 HZ PHE 27 HZ PHE 27 -4.102 -3.888 -2.697 211 H ILE 28 H ILE 28 3.738 -3.820 -3.768 212 HA ILE 28 HA ILE 28 5.942 -5.815 -3.552 213 HB ILE 28 HB ILE 28 6.090 -2.829 -4.013 214 1HG1 ILE 28 1HG1 ILE 28 4.672 -3.506 -5.769 215 2HG1 ILE 28 2HG1 ILE 28 6.276 -3.415 -6.469 216 1HG2 ILE 28 1HG2 ILE 28 8.192 -3.695 -3.445 217 2HG2 ILE 28 2HG2 ILE 28 7.959 -5.203 -4.367 218 3HG2 ILE 28 3HG2 ILE 28 8.231 -3.692 -5.209 219 1HD1 ILE 28 1HD1 ILE 28 4.826 -5.990 -5.706 220 2HD1 ILE 28 2HD1 ILE 28 5.076 -5.337 -7.330 221 3HD1 ILE 28 3HD1 ILE 28 6.471 -5.861 -6.379 222 H ILE 29 H ILE 29 6.585 -6.397 -1.631 223 HA ILE 29 HA ILE 29 5.831 -4.665 0.686 224 HB ILE 29 HB ILE 29 5.967 -7.625 0.195 225 1HG1 ILE 29 1HG1 ILE 29 3.721 -5.849 1.179 226 2HG1 ILE 29 2HG1 ILE 29 3.967 -6.416 -0.456 227 1HG2 ILE 29 1HG2 ILE 29 6.785 -6.599 2.713 228 2HG2 ILE 29 2HG2 ILE 29 5.182 -7.344 2.918 229 3HG2 ILE 29 3HG2 ILE 29 6.504 -8.251 2.188 230 1HD1 ILE 29 1HD1 ILE 29 2.483 -7.917 0.281 231 2HD1 ILE 29 2HD1 ILE 29 3.985 -8.803 0.596 232 3HD1 ILE 29 3HD1 ILE 29 3.144 -7.966 1.939 233 H TYR 30 H TYR 30 7.553 -3.531 1.271 234 HA TYR 30 HA TYR 30 10.255 -4.612 0.721 235 1HB TYR 30 1HB TYR 30 9.536 -2.164 0.213 236 2HB TYR 30 2HB TYR 30 9.277 -1.984 1.932 237 HD1 TYR 30 HD1 TYR 30 12.158 -3.930 0.678 238 HD2 TYR 30 HD2 TYR 30 10.877 -0.073 2.117 239 HE1 TYR 30 HE1 TYR 30 14.419 -3.422 1.149 240 HE2 TYR 30 HE2 TYR 30 13.225 0.433 2.731 241 HH TYR 30 HH TYR 30 15.480 -1.871 3.181 242 H ASP 31 H ASP 31 11.164 -5.852 2.271 243 HA ASP 31 HA ASP 31 10.424 -5.757 5.081 244 1HB ASP 31 1HB ASP 31 11.728 -7.578 3.214 245 2HB ASP 31 2HB ASP 31 12.760 -7.328 4.610 246 H THR 32 H THR 32 11.160 -3.911 6.134 247 HA THR 32 HA THR 32 13.567 -2.619 5.089 248 HB THR 32 HB THR 32 12.861 -0.696 6.104 249 HG1 THR 32 HG1 THR 32 11.206 -0.531 7.564 250 1HG2 THR 32 1HG2 THR 32 10.752 -0.266 5.130 251 2HG2 THR 32 2HG2 THR 32 11.316 -1.682 4.238 252 3HG2 THR 32 3HG2 THR 32 10.123 -1.884 5.522 253 H GLU 33 H GLU 33 13.802 -5.064 6.401 254 HA GLU 33 HA GLU 33 15.710 -4.371 8.504 255 1HB GLU 33 1HB GLU 33 13.965 -6.879 8.506 256 2HB GLU 33 2HB GLU 33 15.489 -6.719 9.402 257 1HG GLU 33 1HG GLU 33 14.495 -4.605 10.471 258 2HG GLU 33 2HG GLU 33 12.952 -5.063 9.800 259 H SER 34 H SER 34 15.220 -7.410 6.637 260 HA SER 34 HA SER 34 17.996 -6.825 6.091 261 1HB SER 34 1HB SER 34 16.717 -9.120 6.737 262 2HB SER 34 2HB SER 34 16.747 -9.335 4.996 263 HG SER 34 HG SER 34 18.800 -9.695 5.065 264 H GLY 35 H GLY 35 16.254 -5.146 4.642 265 1HA GLY 35 1HA GLY 35 15.948 -4.154 2.624 266 2HA GLY 35 2HA GLY 35 17.532 -4.824 2.264 267 H ASN 36 H ASN 36 14.749 -6.852 2.845 268 HA ASN 36 HA ASN 36 14.963 -8.045 0.131 269 1HB ASN 36 1HB ASN 36 13.437 -8.780 2.677 270 2HB ASN 36 2HB ASN 36 13.229 -9.636 1.142 271 1HD2 ASN 36 1HD2 ASN 36 14.489 -10.242 3.997 272 2HD2 ASN 36 2HD2 ASN 36 15.953 -11.065 3.537 273 H VAL 37 H VAL 37 13.037 -8.223 -1.196 274 HA VAL 37 HA VAL 37 10.731 -6.662 -0.440 275 HB VAL 37 HB VAL 37 11.574 -6.360 -3.305 276 1HG1 VAL 37 1HG1 VAL 37 10.179 -4.450 -1.392 277 2HG1 VAL 37 2HG1 VAL 37 10.275 -4.323 -3.144 278 3HG1 VAL 37 3HG1 VAL 37 9.303 -5.626 -2.429 279 1HG2 VAL 37 1HG2 VAL 37 13.614 -5.483 -2.319 280 2HG2 VAL 37 2HG2 VAL 37 12.610 -4.185 -2.986 281 3HG2 VAL 37 3HG2 VAL 37 12.677 -4.442 -1.245 282 H GLU 38 H GLU 38 8.929 -7.807 -1.053 283 HA GLU 38 HA GLU 38 9.253 -10.027 -3.030 284 1HB GLU 38 1HB GLU 38 7.625 -11.282 -1.751 285 2HB GLU 38 2HB GLU 38 9.096 -10.978 -0.813 286 1HG GLU 38 1HG GLU 38 7.833 -9.188 0.388 287 2HG GLU 38 2HG GLU 38 6.410 -9.573 -0.599 288 H VAL 39 H VAL 39 7.175 -10.661 -4.015 289 HA VAL 39 HA VAL 39 5.526 -8.248 -4.692 290 HB VAL 39 HB VAL 39 6.287 -10.492 -6.599 291 1HG1 VAL 39 1HG1 VAL 39 5.329 -8.969 -8.314 292 2HG1 VAL 39 2HG1 VAL 39 4.115 -9.469 -7.145 293 3HG1 VAL 39 3HG1 VAL 39 4.785 -7.853 -7.047 294 1HG2 VAL 39 1HG2 VAL 39 8.312 -9.308 -6.240 295 2HG2 VAL 39 2HG2 VAL 39 7.648 -8.710 -7.762 296 3HG2 VAL 39 3HG2 VAL 39 7.506 -7.737 -6.282 297 H VAL 40 H VAL 40 3.661 -8.586 -3.621 298 HA VAL 40 HA VAL 40 2.306 -11.222 -3.766 299 HB VAL 40 HB VAL 40 1.732 -8.544 -2.498 300 1HG1 VAL 40 1HG1 VAL 40 -0.323 -10.764 -2.838 301 2HG1 VAL 40 2HG1 VAL 40 -0.476 -9.382 -1.737 302 3HG1 VAL 40 3HG1 VAL 40 -0.427 -9.106 -3.484 303 1HG2 VAL 40 1HG2 VAL 40 3.027 -10.106 -1.180 304 2HG2 VAL 40 2HG2 VAL 40 1.409 -9.987 -0.471 305 3HG2 VAL 40 3HG2 VAL 40 1.837 -11.395 -1.481 306 H GLU 41 H GLU 41 0.465 -11.443 -4.961 307 HA GLU 41 HA GLU 41 -0.117 -9.654 -7.278 308 1HB GLU 41 1HB GLU 41 1.045 -11.830 -7.769 309 2HB GLU 41 2HB GLU 41 -0.233 -12.663 -6.859 310 1HG GLU 41 1HG GLU 41 -1.877 -11.959 -8.564 311 2HG GLU 41 2HG GLU 41 -0.520 -11.338 -9.531 312 H ASN 42 H ASN 42 -2.288 -8.867 -7.002 313 HA ASN 42 HA ASN 42 -4.161 -10.608 -5.524 314 1HB ASN 42 1HB ASN 42 -2.909 -8.960 -3.918 315 2HB ASN 42 2HB ASN 42 -3.976 -7.749 -4.662 316 1HD2 ASN 42 1HD2 ASN 42 -3.857 -9.124 -1.854 317 2HD2 ASN 42 2HD2 ASN 42 -5.455 -9.832 -1.677 318 H THR 43 H THR 43 -5.838 -10.769 -6.816 319 HA THR 43 HA THR 43 -5.954 -8.842 -9.008 320 HB THR 43 HB THR 43 -7.121 -10.730 -10.119 321 HG1 THR 43 HG1 THR 43 -7.261 -12.699 -9.118 322 1HG2 THR 43 1HG2 THR 43 -4.606 -10.483 -10.142 323 2HG2 THR 43 2HG2 THR 43 -4.479 -11.524 -8.712 324 3HG2 THR 43 3HG2 THR 43 -5.122 -12.178 -10.231 325 H ILE 44 H ILE 44 -6.837 -7.267 -7.299 326 HA ILE 44 HA ILE 44 -9.615 -7.708 -6.568 327 HB ILE 44 HB ILE 44 -9.181 -5.069 -5.945 328 1HG1 ILE 44 1HG1 ILE 44 -6.683 -5.403 -6.648 329 2HG1 ILE 44 2HG1 ILE 44 -7.158 -4.506 -5.230 330 1HG2 ILE 44 1HG2 ILE 44 -8.623 -7.523 -4.297 331 2HG2 ILE 44 2HG2 ILE 44 -9.004 -5.901 -3.683 332 3HG2 ILE 44 3HG2 ILE 44 -10.228 -6.770 -4.635 333 1HD1 ILE 44 1HD1 ILE 44 -6.611 -6.296 -3.719 334 2HD1 ILE 44 2HD1 ILE 44 -6.322 -7.382 -5.100 335 3HD1 ILE 44 3HD1 ILE 44 -5.257 -6.000 -4.789 336 H ALA 45 H ALA 45 -11.216 -5.994 -6.853 337 HA ALA 45 HA ALA 45 -11.360 -4.865 -9.559 338 1HB ALA 45 1HB ALA 45 -13.173 -7.099 -8.542 339 2HB ALA 45 2HB ALA 45 -13.311 -6.259 -10.098 340 3HB ALA 45 3HB ALA 45 -11.909 -7.258 -9.784 341 H ASP 46 H ASP 46 -14.399 -5.259 -8.713 342 HA ASP 46 HA ASP 46 -14.633 -2.663 -7.251 343 1HB ASP 46 1HB ASP 46 -14.421 -2.531 -9.903 344 2HB ASP 46 2HB ASP 46 -16.092 -3.070 -9.872 345 H ALA 47 H ALA 47 -15.124 -5.217 -6.333 346 HA ALA 47 HA ALA 47 -18.022 -5.763 -6.520 347 1HB ALA 47 1HB ALA 47 -15.723 -7.335 -5.265 348 2HB ALA 47 2HB ALA 47 -17.394 -7.891 -5.450 349 3HB ALA 47 3HB ALA 47 -16.400 -7.615 -6.892 350 H HIS 48 H HIS 48 -18.688 -6.761 -4.189 351 HA HIS 48 HA HIS 48 -18.796 -4.669 -2.269 352 1HB HIS 48 1HB HIS 48 -19.014 -7.514 -1.359 353 2HB HIS 48 2HB HIS 48 -20.025 -6.133 -0.970 354 HD1 HIS 48 HD1 HIS 48 -20.004 -9.229 -3.060 355 HD2 HIS 48 HD2 HIS 48 -21.740 -5.365 -3.205 356 HE1 HIS 48 HE1 HIS 48 -21.811 -9.318 -4.811 357 H GLY 49 H GLY 49 -17.744 -4.627 -0.131 358 1HA GLY 49 1HA GLY 49 -14.924 -4.925 -0.188 359 2HA GLY 49 2HA GLY 49 -15.898 -4.726 1.277 360 H THR 50 H THR 50 -17.273 -6.839 1.767 361 HA THR 50 HA THR 50 -17.320 -8.895 2.528 362 HB THR 50 HB THR 50 -16.613 -10.760 1.361 363 HG1 THR 50 HG1 THR 50 -14.759 -9.048 0.146 364 1HG2 THR 50 1HG2 THR 50 -18.407 -9.420 0.229 365 2HG2 THR 50 2HG2 THR 50 -17.151 -8.762 -0.845 366 3HG2 THR 50 3HG2 THR 50 -17.478 -10.490 -0.854 367 H GLY 51 H GLY 51 -14.526 -10.523 2.366 368 1HA GLY 51 1HA GLY 51 -13.434 -9.523 4.873 369 2HA GLY 51 2HA GLY 51 -12.705 -10.716 3.769 370 HA PRO 52 HA PRO 52 -10.710 -6.351 3.400 371 1HB PRO 52 1HB PRO 52 -8.202 -7.125 3.982 372 2HB PRO 52 2HB PRO 52 -9.367 -6.382 5.143 373 1HG PRO 52 1HG PRO 52 -8.644 -9.268 4.710 374 2HG PRO 52 2HG PRO 52 -8.868 -8.432 6.275 375 1HD PRO 52 1HD PRO 52 -10.829 -9.994 5.215 376 2HD PRO 52 2HD PRO 52 -11.246 -8.453 6.028 377 H LYS 53 H LYS 53 -9.916 -9.710 2.392 378 HA LYS 53 HA LYS 53 -8.917 -10.646 0.643 379 1HB LYS 53 1HB LYS 53 -9.630 -8.085 -0.805 380 2HB LYS 53 2HB LYS 53 -9.013 -9.543 -1.571 381 1HG LYS 53 1HG LYS 53 -10.902 -10.859 -0.892 382 2HG LYS 53 2HG LYS 53 -11.506 -9.615 0.190 383 1HD LYS 53 1HD LYS 53 -11.431 -9.384 -2.835 384 2HD LYS 53 2HD LYS 53 -12.840 -9.787 -1.838 385 1HE LYS 53 1HE LYS 53 -12.450 -7.557 -0.612 386 2HE LYS 53 2HE LYS 53 -11.303 -7.169 -1.907 387 1HZ LYS 53 1HZ LYS 53 -13.246 -7.664 -3.443 388 2HZ LYS 53 2HZ LYS 53 -14.220 -7.470 -2.105 389 3HZ LYS 53 3HZ LYS 53 -13.252 -6.251 -2.614 390 H VAL 54 H VAL 54 -7.722 -7.367 0.148 391 HA VAL 54 HA VAL 54 -5.000 -8.136 -0.219 392 HB VAL 54 HB VAL 54 -5.495 -6.200 -1.273 393 1HG1 VAL 54 1HG1 VAL 54 -7.123 -5.185 1.059 394 2HG1 VAL 54 2HG1 VAL 54 -6.674 -4.224 -0.350 395 3HG1 VAL 54 3HG1 VAL 54 -7.679 -5.632 -0.585 396 1HG2 VAL 54 1HG2 VAL 54 -4.351 -4.318 -0.232 397 2HG2 VAL 54 2HG2 VAL 54 -4.402 -5.139 1.334 398 3HG2 VAL 54 3HG2 VAL 54 -3.458 -5.827 0.001 399 H VAL 55 H VAL 55 -6.554 -6.588 2.584 400 HA VAL 55 HA VAL 55 -4.146 -6.598 4.154 401 HB VAL 55 HB VAL 55 -6.844 -6.460 5.441 402 1HG1 VAL 55 1HG1 VAL 55 -4.959 -6.138 6.818 403 2HG1 VAL 55 2HG1 VAL 55 -4.292 -4.880 5.743 404 3HG1 VAL 55 3HG1 VAL 55 -5.811 -4.605 6.629 405 1HG2 VAL 55 1HG2 VAL 55 -7.298 -5.130 3.406 406 2HG2 VAL 55 2HG2 VAL 55 -6.994 -4.019 4.734 407 3HG2 VAL 55 3HG2 VAL 55 -5.717 -4.343 3.539 408 H GLN 56 H GLN 56 -6.646 -9.128 3.899 409 HA GLN 56 HA GLN 56 -5.644 -10.732 5.975 410 1HB GLN 56 1HB GLN 56 -7.191 -11.176 3.442 411 2HB GLN 56 2HB GLN 56 -6.446 -12.590 4.134 412 1HG GLN 56 1HG GLN 56 -7.911 -10.994 6.135 413 2HG GLN 56 2HG GLN 56 -8.925 -11.497 4.806 414 1HE2 GLN 56 1HE2 GLN 56 -9.162 -12.339 7.582 415 2HE2 GLN 56 2HE2 GLN 56 -9.128 -14.096 7.469 416 H SER 57 H SER 57 -4.010 -9.900 2.984 417 HA SER 57 HA SER 57 -2.136 -12.189 3.292 418 1HB SER 57 1HB SER 57 -3.183 -11.433 1.027 419 2HB SER 57 2HB SER 57 -2.072 -10.067 1.130 420 HG SER 57 HG SER 57 -1.630 -12.710 0.556 421 H LEU 58 H LEU 58 -2.305 -8.607 3.226 422 HA LEU 58 HA LEU 58 0.524 -8.262 3.635 423 1HB LEU 58 1HB LEU 58 -1.782 -6.327 4.091 424 2HB LEU 58 2HB LEU 58 -0.082 -5.887 4.061 425 HG LEU 58 HG LEU 58 -1.634 -7.034 1.684 426 1HD1 LEU 58 1HD1 LEU 58 -2.205 -4.708 2.297 427 2HD1 LEU 58 2HD1 LEU 58 -0.498 -4.254 2.186 428 3HD1 LEU 58 3HD1 LEU 58 -1.372 -4.808 0.735 429 1HD2 LEU 58 1HD2 LEU 58 1.245 -6.135 1.875 430 2HD2 LEU 58 2HD2 LEU 58 0.632 -7.769 1.527 431 3HD2 LEU 58 3HD2 LEU 58 0.359 -6.470 0.372 432 H VAL 59 H VAL 59 -2.212 -8.339 5.929 433 HA VAL 59 HA VAL 59 -0.782 -7.817 8.337 434 HB VAL 59 HB VAL 59 -3.224 -9.226 7.388 435 1HG1 VAL 59 1HG1 VAL 59 -2.668 -10.909 8.899 436 2HG1 VAL 59 2HG1 VAL 59 -2.371 -9.726 10.199 437 3HG1 VAL 59 3HG1 VAL 59 -4.005 -9.956 9.501 438 1HG2 VAL 59 1HG2 VAL 59 -2.828 -7.241 9.609 439 2HG2 VAL 59 2HG2 VAL 59 -3.084 -6.771 7.918 440 3HG2 VAL 59 3HG2 VAL 59 -4.365 -7.637 8.802 441 H SER 60 H SER 60 -1.300 -10.894 6.483 442 HA SER 60 HA SER 60 0.469 -12.302 8.212 443 1HB SER 60 1HB SER 60 -1.002 -12.937 5.654 444 2HB SER 60 2HB SER 60 0.158 -14.080 6.370 445 HG SER 60 HG SER 60 -0.909 -14.130 8.210 446 H LYS 61 H LYS 61 1.445 -9.913 6.381 447 HA LYS 61 HA LYS 61 4.112 -11.143 6.054 448 1HB LYS 61 1HB LYS 61 2.577 -9.431 4.048 449 2HB LYS 61 2HB LYS 61 4.334 -9.314 4.127 450 1HG LYS 61 1HG LYS 61 4.680 -11.186 3.063 451 2HG LYS 61 2HG LYS 61 3.601 -12.084 4.128 452 1HD LYS 61 1HD LYS 61 1.727 -11.813 2.780 453 2HD LYS 61 2HD LYS 61 2.450 -10.477 1.844 454 1HE LYS 61 1HE LYS 61 3.963 -11.867 0.737 455 2HE LYS 61 2HE LYS 61 3.876 -13.137 1.947 456 1HZ LYS 61 1HZ LYS 61 2.854 -13.751 -0.077 457 2HZ LYS 61 2HZ LYS 61 1.736 -13.759 1.116 458 3HZ LYS 61 3HZ LYS 61 1.742 -12.532 0.003 459 H GLY 62 H GLY 62 2.730 -9.841 8.270 460 1HA GLY 62 1HA GLY 62 3.067 -8.211 9.812 461 2HA GLY 62 2HA GLY 62 4.773 -8.539 9.479 462 H VAL 63 H VAL 63 2.382 -6.931 7.364 463 HA VAL 63 HA VAL 63 4.233 -4.802 6.739 464 HB VAL 63 HB VAL 63 1.413 -5.543 5.863 465 1HG1 VAL 63 1HG1 VAL 63 1.644 -3.170 5.429 466 2HG1 VAL 63 2HG1 VAL 63 3.215 -3.425 4.647 467 3HG1 VAL 63 3HG1 VAL 63 1.696 -4.062 3.946 468 1HG2 VAL 63 1HG2 VAL 63 2.808 -6.030 3.661 469 2HG2 VAL 63 2HG2 VAL 63 4.171 -6.134 4.818 470 3HG2 VAL 63 3HG2 VAL 63 2.807 -7.190 4.958 471 H GLU 64 H GLU 64 4.462 -3.665 8.807 472 HA GLU 64 HA GLU 64 1.980 -2.307 9.819 473 1HB GLU 64 1HB GLU 64 4.888 -2.207 10.746 474 2HB GLU 64 2HB GLU 64 3.576 -1.292 11.471 475 1HG GLU 64 1HG GLU 64 2.579 -3.871 11.514 476 2HG GLU 64 2HG GLU 64 4.294 -4.104 11.807 477 H TYR 65 H TYR 65 2.997 -1.611 7.053 478 HA TYR 65 HA TYR 65 2.743 1.253 7.336 479 1HB TYR 65 1HB TYR 65 5.262 -0.080 6.303 480 2HB TYR 65 2HB TYR 65 4.757 1.522 5.786 481 HD1 TYR 65 HD1 TYR 65 6.366 -0.127 8.428 482 HD2 TYR 65 HD2 TYR 65 4.700 3.522 7.020 483 HE1 TYR 65 HE1 TYR 65 7.592 1.119 10.280 484 HE2 TYR 65 HE2 TYR 65 5.929 4.803 8.750 485 HH TYR 65 HH TYR 65 7.813 3.279 11.344 486 H LEU 66 H LEU 66 2.535 2.200 5.154 487 HA LEU 66 HA LEU 66 2.456 0.480 2.830 488 1HB LEU 66 1HB LEU 66 0.395 -0.287 3.580 489 2HB LEU 66 2HB LEU 66 0.003 1.224 4.373 490 HG LEU 66 HG LEU 66 -0.367 2.327 2.264 491 1HD1 LEU 66 1HD1 LEU 66 0.675 1.009 0.500 492 2HD1 LEU 66 2HD1 LEU 66 -0.207 -0.448 1.002 493 3HD1 LEU 66 3HD1 LEU 66 -1.033 0.939 0.250 494 1HD2 LEU 66 1HD2 LEU 66 -2.168 1.369 3.669 495 2HD2 LEU 66 2HD2 LEU 66 -2.617 1.434 1.974 496 3HD2 LEU 66 3HD2 LEU 66 -2.123 -0.115 2.717 497 H ILE 67 H ILE 67 2.336 1.809 0.909 498 HA ILE 67 HA ILE 67 2.386 4.779 1.341 499 HB ILE 67 HB ILE 67 4.067 2.990 -0.501 500 1HG1 ILE 67 1HG1 ILE 67 4.957 4.934 1.725 501 2HG1 ILE 67 2HG1 ILE 67 4.677 3.251 2.084 502 1HG2 ILE 67 1HG2 ILE 67 5.263 5.322 -0.850 503 2HG2 ILE 67 2HG2 ILE 67 3.751 5.012 -1.716 504 3HG2 ILE 67 3HG2 ILE 67 3.772 6.030 -0.248 505 1HD1 ILE 67 1HD1 ILE 67 7.029 3.597 1.817 506 2HD1 ILE 67 2HD1 ILE 67 6.420 2.509 0.559 507 3HD1 ILE 67 3HD1 ILE 67 6.807 4.185 0.172 508 H ALA 68 H ALA 68 0.270 5.367 0.581 509 HA ALA 68 HA ALA 68 -0.453 4.528 -2.154 510 1HB ALA 68 1HB ALA 68 -2.214 3.999 0.288 511 2HB ALA 68 2HB ALA 68 -2.663 3.738 -1.417 512 3HB ALA 68 3HB ALA 68 -1.369 2.776 -0.673 513 H SER 69 H SER 69 -1.567 6.161 -3.138 514 HA SER 69 HA SER 69 -1.801 8.662 -1.666 515 1HB SER 69 1HB SER 69 -2.251 9.733 -3.697 516 2HB SER 69 2HB SER 69 -1.121 8.421 -4.054 517 HG SER 69 HG SER 69 -2.790 8.681 -5.551 518 H ASN 70 H ASN 70 -4.042 6.118 -2.079 519 HA ASN 70 HA ASN 70 -6.130 7.345 -0.650 520 1HB ASN 70 1HB ASN 70 -6.281 8.269 -3.252 521 2HB ASN 70 2HB ASN 70 -7.167 6.777 -3.429 522 1HD2 ASN 70 1HD2 ASN 70 -7.312 10.035 -2.291 523 2HD2 ASN 70 2HD2 ASN 70 -8.850 9.966 -1.492 524 H VAL 71 H VAL 71 -8.357 5.637 -1.474 525 HA VAL 71 HA VAL 71 -7.196 2.963 -1.608 526 HB VAL 71 HB VAL 71 -7.283 3.743 0.675 527 1HG1 VAL 71 1HG1 VAL 71 -9.387 5.088 0.692 528 2HG1 VAL 71 2HG1 VAL 71 -10.306 3.576 0.635 529 3HG1 VAL 71 3HG1 VAL 71 -9.249 3.924 2.024 530 1HG2 VAL 71 1HG2 VAL 71 -7.908 1.768 1.661 531 2HG2 VAL 71 2HG2 VAL 71 -9.150 1.406 0.430 532 3HG2 VAL 71 3HG2 VAL 71 -7.421 1.344 0.021 533 H GLY 72 H GLY 72 -8.464 1.545 -2.683 534 1HA GLY 72 1HA GLY 72 -10.270 2.164 -4.648 535 2HA GLY 72 2HA GLY 72 -10.198 0.629 -3.808 536 H ARG 73 H ARG 73 -10.957 1.020 -1.363 537 HA ARG 73 HA ARG 73 -13.248 2.322 -0.606 538 1HB ARG 73 1HB ARG 73 -14.528 1.503 -2.461 539 2HB ARG 73 2HB ARG 73 -13.831 -0.124 -2.346 540 1HG ARG 73 1HG ARG 73 -15.045 -0.610 -0.369 541 2HG ARG 73 2HG ARG 73 -15.455 1.104 -0.134 542 1HD ARG 73 1HD ARG 73 -17.012 1.091 -1.907 543 2HD ARG 73 2HD ARG 73 -16.518 -0.530 -2.438 544 HE ARG 73 HE ARG 73 -17.350 -0.407 0.350 545 1HH1 ARG 73 2HH2 ARG 73 -18.879 -0.142 -2.843 546 2HH1 ARG 73 1HH2 ARG 73 -20.268 -1.057 -2.356 547 1HH2 ARG 73 2HH1 ARG 73 -19.223 -1.526 0.957 548 2HH2 ARG 73 1HH1 ARG 73 -20.454 -1.886 -0.173 549 H ASN 74 H ASN 74 -13.911 1.460 1.424 550 HA ASN 74 HA ASN 74 -13.628 0.490 3.409 551 1HB ASN 74 1HB ASN 74 -14.613 -1.387 1.716 552 2HB ASN 74 2HB ASN 74 -13.236 -2.274 2.309 553 1HD2 ASN 74 1HD2 ASN 74 -13.147 -1.802 5.166 554 2HD2 ASN 74 2HD2 ASN 74 -14.710 -2.093 5.782 555 H ALA 75 H ALA 75 -11.909 -2.057 3.766 556 HA ALA 75 HA ALA 75 -9.930 -2.738 4.379 557 1HB ALA 75 1HB ALA 75 -8.770 -0.724 2.442 558 2HB ALA 75 2HB ALA 75 -8.032 -2.232 3.028 559 3HB ALA 75 3HB ALA 75 -9.449 -2.304 1.959 560 H PHE 76 H PHE 76 -10.302 0.725 4.581 561 HA PHE 76 HA PHE 76 -7.876 1.542 5.673 562 1HB PHE 76 1HB PHE 76 -9.421 3.056 4.693 563 2HB PHE 76 2HB PHE 76 -10.722 2.552 5.747 564 HD1 PHE 76 HD1 PHE 76 -11.178 3.830 7.731 565 HD2 PHE 76 HD2 PHE 76 -7.382 4.130 5.802 566 HE1 PHE 76 HE1 PHE 76 -10.661 5.843 9.073 567 HE2 PHE 76 HE2 PHE 76 -6.808 6.137 7.159 568 HZ PHE 76 HZ PHE 76 -8.529 7.046 8.779 569 H GLU 77 H GLU 77 -10.825 0.438 7.311 570 HA GLU 77 HA GLU 77 -9.924 0.859 9.993 571 1HB GLU 77 1HB GLU 77 -12.032 -0.846 8.654 572 2HB GLU 77 2HB GLU 77 -11.879 -0.734 10.409 573 1HG GLU 77 1HG GLU 77 -12.367 1.618 10.413 574 2HG GLU 77 2HG GLU 77 -12.067 1.788 8.693 575 H THR 78 H THR 78 -9.661 -1.922 7.726 576 HA THR 78 HA THR 78 -8.532 -3.680 9.738 577 HB THR 78 HB THR 78 -8.293 -4.006 6.733 578 HG1 THR 78 HG1 THR 78 -10.520 -4.697 8.374 579 1HG2 THR 78 1HG2 THR 78 -7.171 -5.736 8.210 580 2HG2 THR 78 2HG2 THR 78 -8.754 -6.086 8.913 581 3HG2 THR 78 3HG2 THR 78 -8.458 -6.393 7.201 582 H LEU 79 H LEU 79 -7.281 -1.034 7.852 583 HA LEU 79 HA LEU 79 -4.496 -1.927 7.866 584 1HB LEU 79 1HB LEU 79 -5.722 0.837 7.369 585 2HB LEU 79 2HB LEU 79 -4.013 0.506 7.290 586 HG LEU 79 HG LEU 79 -5.955 -1.065 5.560 587 1HD1 LEU 79 1HD1 LEU 79 -5.879 1.516 5.090 588 2HD1 LEU 79 2HD1 LEU 79 -4.312 1.147 4.350 589 3HD1 LEU 79 3HD1 LEU 79 -5.771 0.378 3.758 590 1HD2 LEU 79 1HD2 LEU 79 -2.949 -0.634 5.492 591 2HD2 LEU 79 2HD2 LEU 79 -3.799 -2.148 5.871 592 3HD2 LEU 79 3HD2 LEU 79 -3.857 -1.486 4.248 593 H LYS 80 H LYS 80 -6.259 0.660 9.689 594 HA LYS 80 HA LYS 80 -4.130 1.028 11.544 595 1HB LYS 80 1HB LYS 80 -5.993 2.059 12.889 596 2HB LYS 80 2HB LYS 80 -5.568 2.708 11.309 597 1HG LYS 80 1HG LYS 80 -7.651 1.113 10.582 598 2HG LYS 80 2HG LYS 80 -8.121 1.423 12.230 599 1HD LYS 80 1HD LYS 80 -9.095 2.893 10.431 600 2HD LYS 80 2HD LYS 80 -8.413 3.767 11.771 601 1HE LYS 80 1HE LYS 80 -6.682 3.144 9.340 602 2HE LYS 80 2HE LYS 80 -7.937 4.361 9.222 603 1HZ LYS 80 1HZ LYS 80 -6.484 4.864 11.572 604 2HZ LYS 80 2HZ LYS 80 -5.406 4.705 10.359 605 3HZ LYS 80 3HZ LYS 80 -6.608 5.837 10.249 606 H ALA 81 H ALA 81 -6.923 -1.215 11.575 607 HA ALA 81 HA ALA 81 -6.378 -2.260 14.152 608 1HB ALA 81 1HB ALA 81 -7.737 -4.163 13.445 609 2HB ALA 81 2HB ALA 81 -8.479 -2.642 12.919 610 3HB ALA 81 3HB ALA 81 -7.594 -3.648 11.746 611 H ALA 82 H ALA 82 -4.265 -2.515 11.400 612 HA ALA 82 HA ALA 82 -2.811 -4.717 12.825 613 1HB ALA 82 1HB ALA 82 -3.655 -5.448 10.618 614 2HB ALA 82 2HB ALA 82 -2.917 -4.032 9.847 615 3HB ALA 82 3HB ALA 82 -1.890 -5.275 10.574 616 H GLY 83 H GLY 83 -2.797 -1.830 13.392 617 1HA GLY 83 1HA GLY 83 -1.454 -0.108 13.738 618 2HA GLY 83 2HA GLY 83 -0.154 -1.302 13.946 619 H VAL 84 H VAL 84 -1.851 -0.587 10.861 620 HA VAL 84 HA VAL 84 0.728 -0.276 9.622 621 HB VAL 84 HB VAL 84 -2.027 -0.140 8.347 622 1HG1 VAL 84 1HG1 VAL 84 -0.891 -0.879 6.306 623 2HG1 VAL 84 2HG1 VAL 84 -0.062 0.580 6.884 624 3HG1 VAL 84 3HG1 VAL 84 0.631 -1.045 7.148 625 1HG2 VAL 84 1HG2 VAL 84 -1.785 -2.212 9.627 626 2HG2 VAL 84 2HG2 VAL 84 -1.754 -2.544 7.899 627 3HG2 VAL 84 3HG2 VAL 84 -0.268 -2.537 8.908 628 H LYS 85 H LYS 85 1.844 1.540 9.475 629 HA LYS 85 HA LYS 85 0.410 4.058 9.592 630 1HB LYS 85 1HB LYS 85 3.033 3.395 10.338 631 2HB LYS 85 2HB LYS 85 3.246 4.342 8.860 632 1HG LYS 85 1HG LYS 85 1.688 6.060 9.783 633 2HG LYS 85 2HG LYS 85 1.655 5.174 11.309 634 1HD LYS 85 1HD LYS 85 4.196 6.334 10.068 635 2HD LYS 85 2HD LYS 85 3.160 7.173 11.214 636 1HE LYS 85 1HE LYS 85 3.492 5.017 12.698 637 2HE LYS 85 2HE LYS 85 4.946 4.801 11.702 638 1HZ LYS 85 1HZ LYS 85 5.428 6.105 13.674 639 2HZ LYS 85 2HZ LYS 85 5.600 7.079 12.389 640 3HZ LYS 85 3HZ LYS 85 4.265 7.221 13.291 641 H VAL 86 H VAL 86 -0.807 4.317 7.799 642 HA VAL 86 HA VAL 86 0.154 3.606 5.101 643 HB VAL 86 HB VAL 86 -2.419 4.940 6.005 644 1HG1 VAL 86 1HG1 VAL 86 -2.514 5.302 3.758 645 2HG1 VAL 86 2HG1 VAL 86 -1.361 4.026 3.357 646 3HG1 VAL 86 3HG1 VAL 86 -3.046 3.623 3.683 647 1HG2 VAL 86 1HG2 VAL 86 -2.340 2.840 7.141 648 2HG2 VAL 86 2HG2 VAL 86 -3.394 2.624 5.769 649 3HG2 VAL 86 3HG2 VAL 86 -1.721 1.994 5.722 650 H TYR 87 H TYR 87 1.172 5.034 3.843 651 HA TYR 87 HA TYR 87 1.309 7.891 4.546 652 1HB TYR 87 1HB TYR 87 3.168 5.917 3.241 653 2HB TYR 87 2HB TYR 87 3.202 7.516 2.601 654 HD1 TYR 87 HD1 TYR 87 3.293 5.719 5.946 655 HD2 TYR 87 HD2 TYR 87 4.446 9.171 3.657 656 HE1 TYR 87 HE1 TYR 87 4.732 6.513 7.822 657 HE2 TYR 87 HE2 TYR 87 5.951 9.910 5.430 658 HH TYR 87 HH TYR 87 7.230 8.787 7.357 659 H ARG 88 H ARG 88 1.274 9.308 2.730 660 HA ARG 88 HA ARG 88 -0.567 8.651 0.498 661 1HB ARG 88 1HB ARG 88 -0.450 10.923 1.763 662 2HB ARG 88 2HB ARG 88 1.153 11.113 1.067 663 1HG ARG 88 1HG ARG 88 0.038 12.370 -0.402 664 2HG ARG 88 2HG ARG 88 -0.193 10.865 -1.246 665 1HD ARG 88 1HD ARG 88 -2.434 10.611 -0.344 666 2HD ARG 88 2HD ARG 88 -2.183 12.018 0.723 667 HE ARG 88 HE ARG 88 -1.726 12.922 -1.890 668 1HH1 ARG 88 2HH2 ARG 88 -4.517 11.705 -0.016 669 2HH1 ARG 88 1HH2 ARG 88 -5.654 12.657 -0.912 670 1HH2 ARG 88 2HH1 ARG 88 -3.208 14.245 -2.905 671 2HH2 ARG 88 1HH1 ARG 88 -4.868 14.296 -2.413 672 H PHE 89 H PHE 89 0.360 8.989 -1.755 673 HA PHE 89 HA PHE 89 3.123 9.580 -1.998 674 1HB PHE 89 1HB PHE 89 3.934 7.625 -2.659 675 2HB PHE 89 2HB PHE 89 2.411 6.857 -2.321 676 HD1 PHE 89 HD1 PHE 89 4.694 7.496 -5.123 677 HD2 PHE 89 HD2 PHE 89 0.513 7.028 -4.000 678 HE1 PHE 89 HE1 PHE 89 4.074 7.108 -7.384 679 HE2 PHE 89 HE2 PHE 89 -0.088 6.765 -6.395 680 HZ PHE 89 HZ PHE 89 1.695 6.859 -8.116 681 H GLU 90 H GLU 90 3.388 10.451 -4.416 682 HA GLU 90 HA GLU 90 0.736 11.192 -5.536 683 1HB GLU 90 1HB GLU 90 1.545 12.696 -3.533 684 2HB GLU 90 2HB GLU 90 2.637 13.389 -4.718 685 1HG GLU 90 1HG GLU 90 0.830 14.812 -4.839 686 2HG GLU 90 2HG GLU 90 0.422 13.702 -6.138 687 H GLY 91 H GLY 91 2.783 9.593 -6.750 688 1HA GLY 91 1HA GLY 91 2.660 9.701 -9.211 689 2HA GLY 91 2HA GLY 91 3.319 11.330 -9.146 690 H GLY 92 H GLY 92 4.102 7.960 -9.277 691 1HA GLY 92 1HA GLY 92 6.923 8.245 -9.692 692 2HA GLY 92 2HA GLY 92 6.534 7.872 -8.018 693 H THR 93 H THR 93 7.982 6.110 -9.753 694 HA THR 93 HA THR 93 6.150 3.835 -10.068 695 HB THR 93 HB THR 93 8.198 2.633 -10.713 696 HG1 THR 93 HG1 THR 93 9.475 5.159 -10.656 697 1HG2 THR 93 1HG2 THR 93 8.537 3.777 -12.882 698 2HG2 THR 93 2HG2 THR 93 6.824 3.673 -12.437 699 3HG2 THR 93 3HG2 THR 93 7.685 5.208 -12.257 700 H VAL 94 H VAL 94 6.912 1.718 -8.913 701 HA VAL 94 HA VAL 94 6.574 1.930 -6.248 702 HB VAL 94 HB VAL 94 8.022 -0.214 -7.809 703 1HG1 VAL 94 1HG1 VAL 94 8.719 -0.393 -5.454 704 2HG1 VAL 94 2HG1 VAL 94 7.016 -0.376 -4.946 705 3HG1 VAL 94 3HG1 VAL 94 7.654 -1.703 -5.950 706 1HG2 VAL 94 1HG2 VAL 94 5.951 -1.387 -7.699 707 2HG2 VAL 94 2HG2 VAL 94 5.220 -0.141 -6.657 708 3HG2 VAL 94 3HG2 VAL 94 5.607 0.211 -8.350 709 H GLN 95 H GLN 95 9.895 2.005 -7.700 710 HA GLN 95 HA GLN 95 11.096 2.268 -5.215 711 1HB GLN 95 1HB GLN 95 12.151 2.006 -7.619 712 2HB GLN 95 2HB GLN 95 12.273 3.771 -7.560 713 1HG GLN 95 1HG GLN 95 13.509 3.614 -5.416 714 2HG GLN 95 2HG GLN 95 13.335 1.864 -5.416 715 1HE2 GLN 95 1HE2 GLN 95 15.573 4.084 -5.784 716 2HE2 GLN 95 2HE2 GLN 95 16.681 3.202 -6.835 717 H GLU 96 H GLU 96 9.367 4.842 -6.799 718 HA GLU 96 HA GLU 96 10.697 7.078 -5.459 719 1HB GLU 96 1HB GLU 96 8.149 6.644 -7.047 720 2HB GLU 96 2HB GLU 96 8.485 8.206 -6.336 721 1HG GLU 96 1HG GLU 96 10.187 6.795 -8.439 722 2HG GLU 96 2HG GLU 96 8.990 8.082 -8.707 723 H ALA 97 H ALA 97 7.632 5.139 -5.111 724 HA ALA 97 HA ALA 97 6.604 6.426 -2.878 725 1HB ALA 97 1HB ALA 97 6.780 3.535 -3.753 726 2HB ALA 97 2HB ALA 97 6.086 3.894 -2.201 727 3HB ALA 97 3HB ALA 97 5.368 4.597 -3.675 728 H ILE 98 H ILE 98 9.463 4.283 -3.008 729 HA ILE 98 HA ILE 98 9.730 4.134 -0.102 730 HB ILE 98 HB ILE 98 11.858 3.332 -2.140 731 1HG1 ILE 98 1HG1 ILE 98 10.018 2.553 -3.105 732 2HG1 ILE 98 2HG1 ILE 98 10.855 1.145 -2.398 733 1HG2 ILE 98 1HG2 ILE 98 12.397 3.141 0.306 734 2HG2 ILE 98 2HG2 ILE 98 11.014 2.066 0.526 735 3HG2 ILE 98 3HG2 ILE 98 12.379 1.566 -0.499 736 1HD1 ILE 98 1HD1 ILE 98 9.220 1.116 -0.528 737 2HD1 ILE 98 2HD1 ILE 98 8.303 2.439 -1.280 738 3HD1 ILE 98 3HD1 ILE 98 8.488 0.897 -2.139 739 H ASP 99 H ASP 99 11.636 5.408 -2.828 740 HA ASP 99 HA ASP 99 13.701 6.617 -1.354 741 1HB ASP 99 1HB ASP 99 12.543 6.871 -4.137 742 2HB ASP 99 2HB ASP 99 13.662 8.085 -3.623 743 H ALA 100 H ALA 100 10.405 7.635 -2.088 744 HA ALA 100 HA ALA 100 10.928 10.399 -1.174 745 1HB ALA 100 1HB ALA 100 9.338 9.906 -3.006 746 2HB ALA 100 2HB ALA 100 8.297 9.047 -1.864 747 3HB ALA 100 3HB ALA 100 8.590 10.796 -1.663 748 H PHE 101 H PHE 101 9.007 7.561 0.041 749 HA PHE 101 HA PHE 101 8.276 8.623 2.545 750 1HB PHE 101 1HB PHE 101 7.290 6.606 2.016 751 2HB PHE 101 2HB PHE 101 8.791 5.852 1.475 752 HD1 PHE 101 HD1 PHE 101 6.668 6.552 4.420 753 HD2 PHE 101 HD2 PHE 101 10.258 4.685 2.947 754 HE1 PHE 101 HE1 PHE 101 7.066 5.561 6.655 755 HE2 PHE 101 HE2 PHE 101 10.717 3.785 5.214 756 HZ PHE 101 HZ PHE 101 9.130 4.240 7.086 757 H SER 102 H SER 102 11.259 7.010 1.568 758 HA SER 102 HA SER 102 12.254 6.634 4.170 759 1HB SER 102 1HB SER 102 14.322 5.976 3.114 760 2HB SER 102 2HB SER 102 12.927 5.334 2.211 761 HG SER 102 HG SER 102 14.215 7.710 1.347 762 H GLU 103 H GLU 103 12.823 9.295 1.815 763 HA GLU 103 HA GLU 103 14.503 10.645 3.899 764 1HB GLU 103 1HB GLU 103 14.072 11.411 0.980 765 2HB GLU 103 2HB GLU 103 15.320 11.980 2.100 766 1HG GLU 103 1HG GLU 103 15.786 9.230 2.086 767 2HG GLU 103 2HG GLU 103 15.236 9.522 0.446 768 H GLY 104 H GLY 104 11.788 10.198 4.223 769 1HA GLY 104 1HA GLY 104 9.843 11.164 4.843 770 2HA GLY 104 2HA GLY 104 10.970 12.338 5.570 771 H ARG 105 H ARG 105 10.187 11.698 2.130 772 HA ARG 105 HA ARG 105 8.987 14.435 1.853 773 1HB ARG 105 1HB ARG 105 9.995 12.525 -0.295 774 2HB ARG 105 2HB ARG 105 9.340 14.143 -0.502 775 1HG ARG 105 1HG ARG 105 11.337 14.974 0.869 776 2HG ARG 105 2HG ARG 105 11.971 13.325 0.795 777 1HD ARG 105 1HD ARG 105 13.059 14.422 -0.965 778 2HD ARG 105 2HD ARG 105 11.778 13.472 -1.721 779 HE ARG 105 HE ARG 105 11.247 16.311 -1.066 780 1HH1 ARG 105 2HH2 ARG 105 11.651 13.868 -3.677 781 2HH1 ARG 105 1HH2 ARG 105 11.596 15.094 -4.910 782 1HH2 ARG 105 2HH1 ARG 105 10.956 17.786 -2.750 783 2HH2 ARG 105 1HH1 ARG 105 11.047 17.241 -4.420 784 H LEU 106 H LEU 106 7.512 12.080 3.054 785 HA LEU 106 HA LEU 106 5.356 12.366 1.145 786 1HB LEU 106 1HB LEU 106 6.282 9.697 2.271 787 2HB LEU 106 2HB LEU 106 4.644 9.947 1.690 788 HG LEU 106 HG LEU 106 7.180 10.199 0.042 789 1HD1 LEU 106 1HD1 LEU 106 4.942 8.126 -0.028 790 2HD1 LEU 106 2HD1 LEU 106 6.285 8.223 -1.174 791 3HD1 LEU 106 3HD1 LEU 106 6.594 7.884 0.520 792 1HD2 LEU 106 1HD2 LEU 106 5.413 10.223 -1.913 793 2HD2 LEU 106 2HD2 LEU 106 4.228 10.648 -0.637 794 3HD2 LEU 106 3HD2 LEU 106 5.566 11.718 -1.011 795 H GLU 107 H GLU 107 3.238 11.415 2.382 796 HA GLU 107 HA GLU 107 3.173 13.002 4.912 797 1HB GLU 107 1HB GLU 107 0.930 12.323 2.976 798 2HB GLU 107 2HB GLU 107 0.850 13.461 4.300 799 1HG GLU 107 1HG GLU 107 2.754 13.876 1.953 800 2HG GLU 107 2HG GLU 107 1.057 14.304 1.866 801 H GLU 108 H GLU 108 1.996 12.053 6.693 802 HA GLU 108 HA GLU 108 1.375 9.188 6.537 803 1HB GLU 108 1HB GLU 108 2.449 10.642 8.495 804 2HB GLU 108 2HB GLU 108 0.765 10.940 8.919 805 1HG GLU 108 1HG GLU 108 0.654 8.266 8.719 806 2HG GLU 108 2HG GLU 108 2.405 8.383 8.875 807 H LEU 109 H LEU 109 -0.319 8.724 5.403 808 HA LEU 109 HA LEU 109 -2.725 10.435 5.335 809 1HB LEU 109 1HB LEU 109 -1.677 9.547 3.208 810 2HB LEU 109 2HB LEU 109 -2.119 7.933 3.812 811 HG LEU 109 HG LEU 109 -4.515 8.917 4.021 812 1HD1 LEU 109 1HD1 LEU 109 -3.621 10.698 1.762 813 2HD1 LEU 109 2HD1 LEU 109 -5.207 10.609 2.570 814 3HD1 LEU 109 3HD1 LEU 109 -3.806 11.288 3.418 815 1HD2 LEU 109 1HD2 LEU 109 -3.874 7.140 2.488 816 2HD2 LEU 109 2HD2 LEU 109 -4.984 8.264 1.672 817 3HD2 LEU 109 3HD2 LEU 109 -3.231 8.329 1.341 818 H THR 110 H THR 110 -3.357 9.857 7.715 819 HA THR 110 HA THR 110 -4.178 6.960 7.909 820 HB THR 110 HB THR 110 -3.761 7.362 10.346 821 HG1 THR 110 HG1 THR 110 -2.479 9.263 10.794 822 1HG2 THR 110 1HG2 THR 110 -2.062 6.358 8.796 823 2HG2 THR 110 2HG2 THR 110 -1.406 7.978 8.487 824 3HG2 THR 110 3HG2 THR 110 -1.321 7.283 10.103 825 H THR 111 H THR 111 -5.685 9.089 6.738 826 HA THR 111 HA THR 111 -8.176 9.144 8.388 827 HB THR 111 HB THR 111 -7.962 11.727 7.828 828 HG1 THR 111 HG1 THR 111 -5.760 12.405 7.959 829 1HG2 THR 111 1HG2 THR 111 -6.254 10.568 10.066 830 2HG2 THR 111 2HG2 THR 111 -6.952 12.187 9.976 831 3HG2 THR 111 3HG2 THR 111 -8.022 10.789 10.124 832 H PHE 112 H PHE 112 -7.826 7.642 5.974 833 HA PHE 112 HA PHE 112 -9.021 9.363 3.861 834 1HB PHE 112 1HB PHE 112 -7.695 8.148 2.246 835 2HB PHE 112 2HB PHE 112 -6.673 8.959 3.414 836 HD1 PHE 112 HD1 PHE 112 -5.660 7.549 5.337 837 HD2 PHE 112 HD2 PHE 112 -7.544 5.775 1.914 838 HE1 PHE 112 HE1 PHE 112 -4.633 5.380 5.910 839 HE2 PHE 112 HE2 PHE 112 -6.447 3.564 2.523 840 HZ PHE 112 HZ PHE 112 -5.035 3.416 4.484 841 H THR 113 H THR 113 -10.831 8.603 3.061 842 HA THR 113 HA THR 113 -11.658 5.797 3.665 843 HB THR 113 HB THR 113 -13.883 7.074 4.372 844 HG1 THR 113 HG1 THR 113 -13.553 9.048 5.228 845 1HG2 THR 113 1HG2 THR 113 -12.480 5.561 5.812 846 2HG2 THR 113 2HG2 THR 113 -11.453 6.938 6.232 847 3HG2 THR 113 3HG2 THR 113 -13.163 6.921 6.716 848 H ARG 114 H ARG 114 -13.110 4.867 2.238 849 HA ARG 114 HA ARG 114 -14.445 6.568 0.263 850 1HB ARG 114 1HB ARG 114 -11.996 5.974 -0.527 851 2HB ARG 114 2HB ARG 114 -12.541 4.317 -0.608 852 1HG ARG 114 1HG ARG 114 -12.635 5.257 -2.789 853 2HG ARG 114 2HG ARG 114 -14.312 5.046 -2.288 854 1HD ARG 114 1HD ARG 114 -14.645 7.349 -1.936 855 2HD ARG 114 2HD ARG 114 -12.927 7.695 -1.721 856 HE ARG 114 HE ARG 114 -14.406 7.746 -4.163 857 1HH1 ARG 114 2HH2 ARG 114 -11.150 6.877 -2.982 858 2HH1 ARG 114 1HH2 ARG 114 -10.370 7.166 -4.486 859 1HH2 ARG 114 2HH1 ARG 114 -13.374 8.240 -6.086 860 2HH2 ARG 114 1HH1 ARG 114 -11.660 8.086 -6.283 861 H GLU 115 H GLU 115 -16.270 5.745 -0.472 862 HA GLU 115 HA GLU 115 -16.748 2.861 -0.354 863 1HB GLU 115 1HB GLU 115 -17.437 3.701 1.842 864 2HB GLU 115 2HB GLU 115 -18.456 4.913 1.063 865 1HG GLU 115 1HG GLU 115 -19.824 3.057 0.051 866 2HG GLU 115 2HG GLU 115 -18.678 1.865 0.637 867 H GLY 116 H GLY 116 -16.444 3.253 -2.655 868 1HA GLY 116 1HA GLY 116 -19.069 3.803 -3.879 869 2HA GLY 116 2HA GLY 116 -17.538 4.063 -4.753 Start of MODEL 5 1 1H MET 1 H1 MET 1 11.015 1.958 11.292 2 HA MET 1 HA MET 1 12.208 -0.097 9.554 3 1HB MET 1 1HB MET 1 12.341 0.168 12.569 4 2HB MET 1 2HB MET 1 12.503 -1.399 11.766 5 1HG MET 1 1HG MET 1 14.406 -0.606 10.458 6 2HG MET 1 2HG MET 1 14.220 1.017 11.120 7 1HE MET 1 1HE MET 1 14.175 -2.578 12.989 8 2HE MET 1 2HE MET 1 15.423 -2.636 11.722 9 3HE MET 1 3HE MET 1 15.891 -2.636 13.433 10 H ALA 2 H ALA 2 10.529 -1.315 8.670 11 HA ALA 2 HA ALA 2 8.788 -2.731 10.224 12 1HB ALA 2 1HB ALA 2 7.468 -0.526 10.380 13 2HB ALA 2 2HB ALA 2 7.420 -0.522 8.601 14 3HB ALA 2 3HB ALA 2 6.580 -1.785 9.526 15 H ARG 3 H ARG 3 6.868 -3.543 8.522 16 HA ARG 3 HA ARG 3 8.208 -3.770 5.864 17 1HB ARG 3 1HB ARG 3 6.164 -5.560 7.168 18 2HB ARG 3 2HB ARG 3 6.136 -5.285 5.422 19 1HG ARG 3 1HG ARG 3 7.893 -6.682 5.123 20 2HG ARG 3 2HG ARG 3 8.861 -5.681 6.210 21 1HD ARG 3 1HD ARG 3 7.135 -7.958 7.101 22 2HD ARG 3 2HD ARG 3 8.898 -7.942 6.906 23 HE ARG 3 HE ARG 3 8.459 -5.842 8.604 24 1HH1 ARG 3 2HH2 ARG 3 7.832 -9.292 8.708 25 2HH1 ARG 3 1HH2 ARG 3 7.791 -9.393 10.437 26 1HH2 ARG 3 2HH1 ARG 3 8.294 -5.887 10.836 27 2HH2 ARG 3 1HH1 ARG 3 7.851 -7.335 11.697 28 H VAL 4 H VAL 4 7.554 -2.572 4.344 29 HA VAL 4 HA VAL 4 4.934 -1.195 4.648 30 HB VAL 4 HB VAL 4 7.235 0.018 4.378 31 1HG1 VAL 4 1HG1 VAL 4 7.215 -1.245 1.795 32 2HG1 VAL 4 2HG1 VAL 4 7.235 0.518 1.663 33 3HG1 VAL 4 3HG1 VAL 4 8.437 -0.294 2.649 34 1HG2 VAL 4 1HG2 VAL 4 4.957 0.973 2.648 35 2HG2 VAL 4 2HG2 VAL 4 5.057 1.153 4.412 36 3HG2 VAL 4 3HG2 VAL 4 6.260 1.945 3.412 37 H ALA 5 H ALA 5 3.402 -1.218 2.899 38 HA ALA 5 HA ALA 5 4.068 -3.226 0.774 39 1HB ALA 5 1HB ALA 5 1.381 -2.630 2.059 40 2HB ALA 5 2HB ALA 5 1.623 -3.554 0.560 41 3HB ALA 5 3HB ALA 5 2.308 -4.166 2.050 42 H ILE 6 H ILE 6 4.002 -2.292 -1.257 43 HA ILE 6 HA ILE 6 2.905 0.457 -1.461 44 HB ILE 6 HB ILE 6 5.198 -0.591 -3.096 45 1HG1 ILE 6 1HG1 ILE 6 6.313 1.310 -1.523 46 2HG1 ILE 6 2HG1 ILE 6 5.190 0.673 -0.353 47 1HG2 ILE 6 1HG2 ILE 6 3.694 1.315 -3.885 48 2HG2 ILE 6 2HG2 ILE 6 4.302 2.258 -2.543 49 3HG2 ILE 6 3HG2 ILE 6 5.442 1.653 -3.782 50 1HD1 ILE 6 1HD1 ILE 6 7.554 -0.362 -0.426 51 2HD1 ILE 6 2HD1 ILE 6 6.216 -1.496 -0.417 52 3HD1 ILE 6 3HD1 ILE 6 7.089 -1.131 -1.934 53 HA PRO 7 HA PRO 7 0.217 -1.852 -4.235 54 1HB PRO 7 1HB PRO 7 -1.404 0.269 -4.941 55 2HB PRO 7 2HB PRO 7 -1.485 -0.552 -3.341 56 1HG PRO 7 1HG PRO 7 -0.311 2.099 -4.025 57 2HG PRO 7 2HG PRO 7 -1.046 1.550 -2.479 58 1HD PRO 7 1HD PRO 7 1.538 1.720 -3.029 59 2HD PRO 7 2HD PRO 7 0.823 0.795 -1.661 60 H SER 8 H SER 8 1.094 -2.424 -6.195 61 HA SER 8 HA SER 8 2.202 -0.307 -8.010 62 1HB SER 8 1HB SER 8 3.929 -1.769 -7.018 63 2HB SER 8 2HB SER 8 3.021 -3.206 -7.488 64 HG SER 8 HG SER 8 4.207 -3.092 -9.198 65 H VAL 9 H VAL 9 1.698 -0.699 -10.280 66 HA VAL 9 HA VAL 9 -0.377 -2.810 -10.819 67 HB VAL 9 HB VAL 9 -1.103 -1.460 -12.743 68 1HG1 VAL 9 1HG1 VAL 9 -2.206 -1.073 -10.531 69 2HG1 VAL 9 2HG1 VAL 9 -1.107 0.324 -10.306 70 3HG1 VAL 9 3HG1 VAL 9 -2.274 0.327 -11.622 71 1HG2 VAL 9 1HG2 VAL 9 1.038 -0.128 -13.149 72 2HG2 VAL 9 2HG2 VAL 9 -0.425 0.861 -13.096 73 3HG2 VAL 9 3HG2 VAL 9 0.659 0.822 -11.701 74 H GLY 10 H GLY 10 2.337 -3.484 -10.511 75 1HA GLY 10 1HA GLY 10 2.650 -5.074 -12.751 76 2HA GLY 10 2HA GLY 10 3.770 -3.717 -12.949 77 H LYS 11 H LYS 11 5.147 -5.832 -12.748 78 HA LYS 11 HA LYS 11 5.739 -6.546 -9.933 79 1HB LYS 11 1HB LYS 11 6.166 -8.871 -10.791 80 2HB LYS 11 2HB LYS 11 4.499 -8.317 -10.573 81 1HG LYS 11 1HG LYS 11 4.249 -7.937 -12.987 82 2HG LYS 11 2HG LYS 11 5.922 -8.478 -13.216 83 1HD LYS 11 1HD LYS 11 5.347 -10.741 -12.581 84 2HD LYS 11 2HD LYS 11 3.875 -10.191 -11.779 85 1HE LYS 11 1HE LYS 11 3.036 -11.227 -13.639 86 2HE LYS 11 2HE LYS 11 2.950 -9.513 -14.025 87 1HZ LYS 11 1HZ LYS 11 5.022 -9.818 -15.326 88 2HZ LYS 11 2HZ LYS 11 4.973 -11.436 -14.973 89 3HZ LYS 11 3HZ LYS 11 3.774 -10.754 -15.860 90 H ASP 12 H ASP 12 7.009 -4.528 -10.636 91 HA ASP 12 HA ASP 12 9.755 -5.415 -10.817 92 1HB ASP 12 1HB ASP 12 8.477 -3.690 -12.928 93 2HB ASP 12 2HB ASP 12 10.025 -3.180 -12.318 94 H LEU 13 H LEU 13 11.067 -3.859 -9.855 95 HA LEU 13 HA LEU 13 9.815 -2.166 -7.841 96 1HB LEU 13 1HB LEU 13 12.056 -3.576 -7.862 97 2HB LEU 13 2HB LEU 13 12.743 -2.175 -8.626 98 HG LEU 13 HG LEU 13 13.305 -2.150 -6.326 99 1HD1 LEU 13 1HD1 LEU 13 12.567 -0.045 -5.513 100 2HD1 LEU 13 2HD1 LEU 13 12.592 0.084 -7.283 101 3HD1 LEU 13 3HD1 LEU 13 11.059 -0.128 -6.422 102 1HD2 LEU 13 1HD2 LEU 13 11.666 -2.179 -4.480 103 2HD2 LEU 13 2HD2 LEU 13 10.360 -2.432 -5.661 104 3HD2 LEU 13 3HD2 LEU 13 11.614 -3.661 -5.447 105 H SER 14 H SER 14 10.433 -1.790 -11.166 106 HA SER 14 HA SER 14 9.924 1.138 -10.801 107 1HB SER 14 1HB SER 14 10.903 1.247 -13.108 108 2HB SER 14 2HB SER 14 12.047 1.127 -11.751 109 HG SER 14 HG SER 14 11.251 -0.918 -13.574 110 H SER 15 H SER 15 8.002 -1.115 -10.791 111 HA SER 15 HA SER 15 6.590 -0.337 -13.228 112 1HB SER 15 1HB SER 15 5.768 -2.069 -10.850 113 2HB SER 15 2HB SER 15 4.635 -1.609 -12.137 114 HG SER 15 HG SER 15 6.641 -2.368 -13.474 115 H MET 16 H MET 16 4.199 0.557 -12.780 116 HA MET 16 HA MET 16 4.624 3.092 -11.411 117 1HB MET 16 1HB MET 16 2.461 1.794 -13.076 118 2HB MET 16 2HB MET 16 2.033 3.147 -12.050 119 1HG MET 16 1HG MET 16 4.414 3.980 -13.314 120 2HG MET 16 2HG MET 16 3.554 3.087 -14.546 121 1HE MET 16 1HE MET 16 2.050 6.837 -12.300 122 2HE MET 16 2HE MET 16 1.706 5.235 -11.616 123 3HE MET 16 3HE MET 16 3.390 5.772 -11.832 124 H VAL 17 H VAL 17 3.862 3.766 -9.435 125 HA VAL 17 HA VAL 17 2.578 1.817 -7.670 126 HB VAL 17 HB VAL 17 3.099 4.774 -7.338 127 1HG1 VAL 17 1HG1 VAL 17 1.412 4.082 -5.650 128 2HG1 VAL 17 2HG1 VAL 17 2.447 2.742 -5.157 129 3HG1 VAL 17 3HG1 VAL 17 2.974 4.401 -4.884 130 1HG2 VAL 17 1HG2 VAL 17 5.051 3.039 -7.459 131 2HG2 VAL 17 2HG2 VAL 17 5.098 4.480 -6.431 132 3HG2 VAL 17 3HG2 VAL 17 4.732 2.899 -5.737 133 H SER 18 H SER 18 0.437 2.236 -6.817 134 HA SER 18 HA SER 18 -1.375 3.511 -8.824 135 1HB SER 18 1HB SER 18 -1.283 1.026 -8.438 136 2HB SER 18 2HB SER 18 -2.008 1.295 -6.865 137 HG SER 18 HG SER 18 -3.479 0.870 -8.697 138 H ASP 19 H ASP 19 -3.194 4.588 -8.152 139 HA ASP 19 HA ASP 19 -2.740 6.281 -5.823 140 1HB ASP 19 1HB ASP 19 -3.481 6.958 -8.206 141 2HB ASP 19 2HB ASP 19 -5.044 6.263 -7.814 142 H ARG 20 H ARG 20 -3.464 3.525 -5.142 143 HA ARG 20 HA ARG 20 -5.970 3.753 -3.637 144 1HB ARG 20 1HB ARG 20 -7.052 1.969 -5.100 145 2HB ARG 20 2HB ARG 20 -7.134 3.676 -5.601 146 1HG ARG 20 1HG ARG 20 -5.111 2.980 -7.163 147 2HG ARG 20 2HG ARG 20 -5.689 1.337 -6.844 148 1HD ARG 20 1HD ARG 20 -7.041 1.792 -8.627 149 2HD ARG 20 2HD ARG 20 -8.068 2.526 -7.411 150 HE ARG 20 HE ARG 20 -7.535 4.637 -8.226 151 1HH1 ARG 20 2HH2 ARG 20 -5.409 2.198 -9.815 152 2HH1 ARG 20 1HH2 ARG 20 -4.800 3.351 -10.951 153 1HH2 ARG 20 2HH1 ARG 20 -6.511 6.168 -9.742 154 2HH2 ARG 20 1HH1 ARG 20 -5.369 5.499 -10.884 155 H PHE 21 H PHE 21 -4.940 2.750 -1.903 156 HA PHE 21 HA PHE 21 -3.402 0.427 -2.014 157 1HB PHE 21 1HB PHE 21 -3.619 1.728 -0.008 158 2HB PHE 21 2HB PHE 21 -5.343 1.604 0.009 159 HD1 PHE 21 HD1 PHE 21 -2.432 -0.696 -0.218 160 HD2 PHE 21 HD2 PHE 21 -6.230 0.094 1.637 161 HE1 PHE 21 HE1 PHE 21 -2.120 -2.680 1.156 162 HE2 PHE 21 HE2 PHE 21 -5.925 -1.952 3.039 163 HZ PHE 21 HZ PHE 21 -3.883 -3.334 2.822 164 H ALA 22 H ALA 22 -6.982 0.519 -1.395 165 HA ALA 22 HA ALA 22 -6.983 -2.303 -1.391 166 1HB ALA 22 1HB ALA 22 -8.578 -0.785 -0.159 167 2HB ALA 22 2HB ALA 22 -9.452 -0.547 -1.695 168 3HB ALA 22 3HB ALA 22 -9.332 -2.161 -0.975 169 H ARG 23 H ARG 23 -6.707 -0.482 -4.208 170 HA ARG 23 HA ARG 23 -8.118 -2.513 -5.838 171 1HB ARG 23 1HB ARG 23 -8.325 0.466 -5.860 172 2HB ARG 23 2HB ARG 23 -7.955 -0.253 -7.397 173 1HG ARG 23 1HG ARG 23 -9.977 -1.908 -6.581 174 2HG ARG 23 2HG ARG 23 -10.411 -0.472 -5.668 175 1HD ARG 23 1HD ARG 23 -9.732 -0.180 -8.601 176 2HD ARG 23 2HD ARG 23 -11.203 -1.028 -8.223 177 HE ARG 23 HE ARG 23 -11.893 0.956 -6.861 178 1HH1 ARG 23 2HH2 ARG 23 -9.854 1.272 -9.795 179 2HH1 ARG 23 1HH2 ARG 23 -10.962 2.338 -10.567 180 1HH2 ARG 23 2HH1 ARG 23 -13.058 2.748 -7.729 181 2HH2 ARG 23 1HH1 ARG 23 -12.564 3.489 -9.221 182 H ALA 24 H ALA 24 -5.510 -2.943 -4.868 183 HA ALA 24 HA ALA 24 -3.872 -1.723 -6.962 184 1HB ALA 24 1HB ALA 24 -1.946 -2.047 -5.303 185 2HB ALA 24 2HB ALA 24 -3.225 -0.962 -4.736 186 3HB ALA 24 3HB ALA 24 -3.140 -2.622 -4.145 187 H GLU 25 H GLU 25 -3.101 -3.148 -8.448 188 HA GLU 25 HA GLU 25 -3.848 -5.874 -8.324 189 1HB GLU 25 1HB GLU 25 -2.179 -4.157 -10.181 190 2HB GLU 25 2HB GLU 25 -2.596 -5.862 -10.559 191 1HG GLU 25 1HG GLU 25 -5.037 -5.120 -10.050 192 2HG GLU 25 2HG GLU 25 -4.457 -3.475 -10.186 193 H TYR 26 H TYR 26 -0.686 -4.413 -7.497 194 HA TYR 26 HA TYR 26 0.300 -7.044 -6.767 195 1HB TYR 26 1HB TYR 26 1.665 -4.791 -8.326 196 2HB TYR 26 2HB TYR 26 2.558 -6.100 -7.526 197 HD1 TYR 26 HD1 TYR 26 0.449 -5.101 -10.337 198 HD2 TYR 26 HD2 TYR 26 2.294 -8.456 -8.360 199 HE1 TYR 26 HE1 TYR 26 0.241 -6.407 -12.411 200 HE2 TYR 26 HE2 TYR 26 2.031 -9.815 -10.430 201 HH TYR 26 HH TYR 26 0.493 -8.560 -13.374 202 H PHE 27 H PHE 27 1.830 -6.792 -5.029 203 HA PHE 27 HA PHE 27 1.964 -4.144 -3.733 204 1HB PHE 27 1HB PHE 27 0.995 -6.683 -2.459 205 2HB PHE 27 2HB PHE 27 1.930 -5.523 -1.510 206 HD1 PHE 27 HD1 PHE 27 1.191 -3.072 -1.572 207 HD2 PHE 27 HD2 PHE 27 -1.289 -6.337 -2.865 208 HE1 PHE 27 HE1 PHE 27 -0.800 -1.675 -1.227 209 HE2 PHE 27 HE2 PHE 27 -3.291 -4.937 -2.636 210 HZ PHE 27 HZ PHE 27 -3.072 -2.619 -1.704 211 H ILE 28 H ILE 28 3.977 -3.631 -3.792 212 HA ILE 28 HA ILE 28 6.139 -5.688 -3.596 213 HB ILE 28 HB ILE 28 6.235 -2.666 -3.841 214 1HG1 ILE 28 1HG1 ILE 28 5.239 -3.267 -5.892 215 2HG1 ILE 28 2HG1 ILE 28 6.945 -3.308 -6.287 216 1HG2 ILE 28 1HG2 ILE 28 8.573 -3.096 -4.510 217 2HG2 ILE 28 2HG2 ILE 28 8.220 -3.673 -2.889 218 3HG2 ILE 28 3HG2 ILE 28 8.327 -4.827 -4.245 219 1HD1 ILE 28 1HD1 ILE 28 6.897 -5.809 -5.924 220 2HD1 ILE 28 2HD1 ILE 28 5.125 -5.699 -5.862 221 3HD1 ILE 28 3HD1 ILE 28 5.985 -5.197 -7.328 222 H ILE 29 H ILE 29 6.719 -6.377 -1.682 223 HA ILE 29 HA ILE 29 5.988 -4.705 0.664 224 HB ILE 29 HB ILE 29 6.333 -7.703 0.591 225 1HG1 ILE 29 1HG1 ILE 29 3.840 -5.994 0.996 226 2HG1 ILE 29 2HG1 ILE 29 4.226 -6.932 -0.449 227 1HG2 ILE 29 1HG2 ILE 29 7.146 -6.699 2.700 228 2HG2 ILE 29 2HG2 ILE 29 5.620 -5.812 2.877 229 3HG2 ILE 29 3HG2 ILE 29 5.670 -7.596 2.983 230 1HD1 ILE 29 1HD1 ILE 29 3.559 -7.991 2.301 231 2HD1 ILE 29 2HD1 ILE 29 2.740 -8.267 0.766 232 3HD1 ILE 29 3HD1 ILE 29 4.321 -9.005 1.046 233 H TYR 30 H TYR 30 7.626 -3.763 1.427 234 HA TYR 30 HA TYR 30 10.425 -4.731 0.915 235 1HB TYR 30 1HB TYR 30 9.747 -2.392 0.163 236 2HB TYR 30 2HB TYR 30 9.361 -1.986 1.805 237 HD1 TYR 30 HD1 TYR 30 10.907 -0.529 2.768 238 HD2 TYR 30 HD2 TYR 30 12.299 -3.715 0.222 239 HE1 TYR 30 HE1 TYR 30 13.241 0.255 3.053 240 HE2 TYR 30 HE2 TYR 30 14.617 -2.902 0.455 241 HH TYR 30 HH TYR 30 15.386 0.060 1.193 242 H ASP 31 H ASP 31 11.466 -5.613 2.534 243 HA ASP 31 HA ASP 31 10.736 -5.270 5.387 244 1HB ASP 31 1HB ASP 31 12.320 -7.197 3.716 245 2HB ASP 31 2HB ASP 31 13.049 -6.836 5.271 246 H THR 32 H THR 32 11.648 -3.440 6.475 247 HA THR 32 HA THR 32 14.066 -2.215 5.374 248 HB THR 32 HB THR 32 13.767 -0.659 7.275 249 HG1 THR 32 HG1 THR 32 12.879 -2.534 8.564 250 1HG2 THR 32 1HG2 THR 32 12.421 -0.206 5.289 251 2HG2 THR 32 2HG2 THR 32 11.126 -1.264 5.862 252 3HG2 THR 32 3HG2 THR 32 11.522 0.214 6.760 253 H GLU 33 H GLU 33 14.367 -5.011 6.344 254 HA GLU 33 HA GLU 33 16.452 -4.477 8.314 255 1HB GLU 33 1HB GLU 33 14.023 -5.316 9.070 256 2HB GLU 33 2HB GLU 33 14.640 -6.901 8.465 257 1HG GLU 33 1HG GLU 33 16.454 -6.796 9.964 258 2HG GLU 33 2HG GLU 33 16.131 -5.114 10.424 259 H SER 34 H SER 34 15.750 -5.849 5.372 260 HA SER 34 HA SER 34 18.514 -6.504 5.384 261 1HB SER 34 1HB SER 34 16.784 -8.648 5.920 262 2HB SER 34 2HB SER 34 17.032 -8.798 4.172 263 HG SER 34 HG SER 34 19.249 -8.840 4.516 264 H GLY 35 H GLY 35 16.727 -4.573 4.328 265 1HA GLY 35 1HA GLY 35 15.758 -3.605 2.554 266 2HA GLY 35 2HA GLY 35 17.306 -3.941 1.768 267 H ASN 36 H ASN 36 14.719 -6.272 2.731 268 HA ASN 36 HA ASN 36 15.153 -7.569 0.094 269 1HB ASN 36 1HB ASN 36 15.270 -8.756 2.407 270 2HB ASN 36 2HB ASN 36 13.509 -8.683 2.391 271 1HD2 ASN 36 1HD2 ASN 36 15.494 -11.021 2.219 272 2HD2 ASN 36 2HD2 ASN 36 15.183 -11.822 0.696 273 H VAL 37 H VAL 37 13.193 -8.296 -1.108 274 HA VAL 37 HA VAL 37 10.835 -6.768 -0.593 275 HB VAL 37 HB VAL 37 11.620 -6.515 -3.430 276 1HG1 VAL 37 1HG1 VAL 37 10.389 -4.674 -1.362 277 2HG1 VAL 37 2HG1 VAL 37 10.490 -4.358 -3.111 278 3HG1 VAL 37 3HG1 VAL 37 9.514 -5.726 -2.513 279 1HG2 VAL 37 1HG2 VAL 37 12.890 -4.432 -3.195 280 2HG2 VAL 37 2HG2 VAL 37 13.078 -4.731 -1.456 281 3HG2 VAL 37 3HG2 VAL 37 13.800 -5.838 -2.632 282 H GLU 38 H GLU 38 9.065 -7.710 -1.268 283 HA GLU 38 HA GLU 38 9.173 -10.231 -2.842 284 1HB GLU 38 1HB GLU 38 8.436 -10.360 -0.452 285 2HB GLU 38 2HB GLU 38 7.256 -9.104 -0.767 286 1HG GLU 38 1HG GLU 38 6.055 -11.093 -0.630 287 2HG GLU 38 2HG GLU 38 6.029 -10.605 -2.300 288 H VAL 39 H VAL 39 7.432 -10.470 -4.492 289 HA VAL 39 HA VAL 39 5.782 -8.044 -4.977 290 HB VAL 39 HB VAL 39 6.252 -10.301 -6.964 291 1HG1 VAL 39 1HG1 VAL 39 5.096 -8.794 -8.512 292 2HG1 VAL 39 2HG1 VAL 39 4.080 -9.116 -7.126 293 3HG1 VAL 39 3HG1 VAL 39 4.894 -7.562 -7.255 294 1HG2 VAL 39 1HG2 VAL 39 7.545 -7.550 -7.041 295 2HG2 VAL 39 2HG2 VAL 39 8.374 -9.101 -6.798 296 3HG2 VAL 39 3HG2 VAL 39 7.573 -8.764 -8.332 297 H VAL 40 H VAL 40 3.961 -8.415 -3.827 298 HA VAL 40 HA VAL 40 2.651 -11.055 -3.847 299 HB VAL 40 HB VAL 40 2.203 -8.389 -2.542 300 1HG1 VAL 40 1HG1 VAL 40 -0.006 -8.804 -3.490 301 2HG1 VAL 40 2HG1 VAL 40 -0.005 -10.458 -2.829 302 3HG1 VAL 40 3HG1 VAL 40 -0.038 -9.049 -1.743 303 1HG2 VAL 40 1HG2 VAL 40 2.213 -11.248 -1.518 304 2HG2 VAL 40 2HG2 VAL 40 3.473 -10.023 -1.298 305 3HG2 VAL 40 3HG2 VAL 40 1.885 -9.825 -0.528 306 H GLU 41 H GLU 41 1.017 -11.474 -5.280 307 HA GLU 41 HA GLU 41 0.223 -9.469 -7.343 308 1HB GLU 41 1HB GLU 41 0.964 -11.651 -8.243 309 2HB GLU 41 2HB GLU 41 -0.084 -12.494 -7.097 310 1HG GLU 41 1HG GLU 41 -2.055 -11.343 -8.253 311 2HG GLU 41 2HG GLU 41 -0.906 -10.776 -9.473 312 H ASN 42 H ASN 42 -1.937 -8.675 -7.055 313 HA ASN 42 HA ASN 42 -3.562 -9.933 -4.913 314 1HB ASN 42 1HB ASN 42 -2.077 -7.839 -4.251 315 2HB ASN 42 2HB ASN 42 -3.455 -6.968 -4.915 316 1HD2 ASN 42 1HD2 ASN 42 -5.706 -8.173 -4.164 317 2HD2 ASN 42 2HD2 ASN 42 -5.704 -8.667 -2.477 318 H THR 43 H THR 43 -5.097 -10.772 -6.306 319 HA THR 43 HA THR 43 -6.246 -8.969 -8.347 320 HB THR 43 HB THR 43 -7.302 -11.095 -9.132 321 HG1 THR 43 HG1 THR 43 -7.270 -12.278 -7.252 322 1HG2 THR 43 1HG2 THR 43 -5.221 -11.988 -10.059 323 2HG2 THR 43 2HG2 THR 43 -5.107 -10.220 -9.984 324 3HG2 THR 43 3HG2 THR 43 -4.266 -11.214 -8.784 325 H ILE 44 H ILE 44 -7.159 -7.555 -6.640 326 HA ILE 44 HA ILE 44 -9.670 -8.529 -5.435 327 HB ILE 44 HB ILE 44 -9.914 -5.980 -5.195 328 1HG1 ILE 44 1HG1 ILE 44 -7.929 -5.608 -6.863 329 2HG1 ILE 44 2HG1 ILE 44 -8.287 -4.520 -5.566 330 1HG2 ILE 44 1HG2 ILE 44 -9.562 -7.337 -3.285 331 2HG2 ILE 44 2HG2 ILE 44 -7.815 -7.448 -3.587 332 3HG2 ILE 44 3HG2 ILE 44 -8.558 -5.891 -3.144 333 1HD1 ILE 44 1HD1 ILE 44 -6.210 -6.685 -5.192 334 2HD1 ILE 44 2HD1 ILE 44 -5.854 -5.147 -5.967 335 3HD1 ILE 44 3HD1 ILE 44 -6.410 -5.185 -4.271 336 H ALA 45 H ALA 45 -11.697 -7.567 -6.172 337 HA ALA 45 HA ALA 45 -11.551 -5.862 -8.544 338 1HB ALA 45 1HB ALA 45 -12.382 -7.987 -9.455 339 2HB ALA 45 2HB ALA 45 -13.620 -8.063 -8.194 340 3HB ALA 45 3HB ALA 45 -13.679 -6.781 -9.409 341 H ASP 46 H ASP 46 -12.485 -3.992 -7.995 342 HA ASP 46 HA ASP 46 -13.796 -3.609 -5.426 343 1HB ASP 46 1HB ASP 46 -12.315 -1.996 -6.543 344 2HB ASP 46 2HB ASP 46 -13.519 -1.707 -7.807 345 H ALA 47 H ALA 47 -15.423 -5.270 -5.808 346 HA ALA 47 HA ALA 47 -18.000 -4.210 -6.603 347 1HB ALA 47 1HB ALA 47 -16.759 -6.578 -8.085 348 2HB ALA 47 2HB ALA 47 -18.477 -6.120 -8.153 349 3HB ALA 47 3HB ALA 47 -17.240 -5.028 -8.814 350 H HIS 48 H HIS 48 -19.029 -4.743 -4.795 351 HA HIS 48 HA HIS 48 -20.051 -5.834 -3.178 352 1HB HIS 48 1HB HIS 48 -19.230 -8.487 -4.359 353 2HB HIS 48 2HB HIS 48 -20.574 -8.146 -3.287 354 HD1 HIS 48 HD1 HIS 48 -20.801 -9.393 -6.363 355 HD2 HIS 48 HD2 HIS 48 -21.590 -5.474 -5.021 356 HE1 HIS 48 HE1 HIS 48 -22.252 -8.321 -8.134 357 H GLY 49 H GLY 49 -17.052 -7.787 -3.634 358 1HA GLY 49 1HA GLY 49 -15.227 -8.093 -2.269 359 2HA GLY 49 2HA GLY 49 -15.602 -6.484 -1.643 360 H THR 50 H THR 50 -16.174 -9.968 -1.175 361 HA THR 50 HA THR 50 -17.854 -9.728 1.103 362 HB THR 50 HB THR 50 -17.379 -12.193 1.307 363 HG1 THR 50 HG1 THR 50 -16.039 -13.153 -0.088 364 1HG2 THR 50 1HG2 THR 50 -18.026 -11.233 -1.529 365 2HG2 THR 50 2HG2 THR 50 -18.412 -12.815 -0.846 366 3HG2 THR 50 3HG2 THR 50 -19.173 -11.364 -0.189 367 H GLY 51 H GLY 51 -14.506 -9.057 1.045 368 1HA GLY 51 1HA GLY 51 -14.153 -9.018 3.862 369 2HA GLY 51 2HA GLY 51 -13.330 -10.419 3.135 370 HA PRO 52 HA PRO 52 -10.857 -6.446 2.567 371 1HB PRO 52 1HB PRO 52 -8.514 -7.127 3.627 372 2HB PRO 52 2HB PRO 52 -9.866 -6.397 4.547 373 1HG PRO 52 1HG PRO 52 -8.865 -9.201 4.536 374 2HG PRO 52 2HG PRO 52 -9.689 -8.322 5.848 375 1HD PRO 52 1HD PRO 52 -10.993 -10.167 4.152 376 2HD PRO 52 2HD PRO 52 -11.802 -8.936 5.136 377 H LYS 53 H LYS 53 -9.824 -9.869 2.068 378 HA LYS 53 HA LYS 53 -8.364 -10.881 0.777 379 1HB LYS 53 1HB LYS 53 -9.054 -8.744 -1.276 380 2HB LYS 53 2HB LYS 53 -8.081 -10.183 -1.555 381 1HG LYS 53 1HG LYS 53 -10.138 -10.977 -2.241 382 2HG LYS 53 2HG LYS 53 -10.119 -11.494 -0.568 383 1HD LYS 53 1HD LYS 53 -12.251 -10.609 -0.695 384 2HD LYS 53 2HD LYS 53 -11.367 -9.206 -0.134 385 1HE LYS 53 1HE LYS 53 -12.698 -8.372 -1.853 386 2HE LYS 53 2HE LYS 53 -11.098 -8.508 -2.567 387 1HZ LYS 53 1HZ LYS 53 -12.776 -9.380 -4.033 388 2HZ LYS 53 2HZ LYS 53 -11.846 -10.649 -3.557 389 3HZ LYS 53 3HZ LYS 53 -13.342 -10.407 -2.911 390 H VAL 54 H VAL 54 -7.533 -7.567 -0.098 391 HA VAL 54 HA VAL 54 -4.725 -7.989 -0.245 392 HB VAL 54 HB VAL 54 -5.481 -6.165 -1.420 393 1HG1 VAL 54 1HG1 VAL 54 -6.774 -4.245 -0.541 394 2HG1 VAL 54 2HG1 VAL 54 -7.679 -5.728 -0.682 395 3HG1 VAL 54 3HG1 VAL 54 -7.113 -5.171 0.917 396 1HG2 VAL 54 1HG2 VAL 54 -4.441 -4.181 -0.503 397 2HG2 VAL 54 2HG2 VAL 54 -4.452 -4.885 1.123 398 3HG2 VAL 54 3HG2 VAL 54 -3.464 -5.626 -0.156 399 H VAL 55 H VAL 55 -6.696 -6.542 2.385 400 HA VAL 55 HA VAL 55 -4.428 -6.252 4.131 401 HB VAL 55 HB VAL 55 -7.273 -6.379 5.131 402 1HG1 VAL 55 1HG1 VAL 55 -6.573 -4.511 6.471 403 2HG1 VAL 55 2HG1 VAL 55 -5.580 -5.944 6.740 404 3HG1 VAL 55 3HG1 VAL 55 -4.939 -4.594 5.772 405 1HG2 VAL 55 1HG2 VAL 55 -6.070 -4.229 3.327 406 2HG2 VAL 55 2HG2 VAL 55 -7.623 -5.047 3.118 407 3HG2 VAL 55 3HG2 VAL 55 -7.423 -3.880 4.421 408 H GLN 56 H GLN 56 -6.993 -8.845 4.228 409 HA GLN 56 HA GLN 56 -5.882 -10.157 6.322 410 1HB GLN 56 1HB GLN 56 -7.466 -11.173 4.012 411 2HB GLN 56 2HB GLN 56 -6.731 -12.353 5.085 412 1HG GLN 56 1HG GLN 56 -8.212 -10.139 6.444 413 2HG GLN 56 2HG GLN 56 -9.182 -11.249 5.467 414 1HE2 GLN 56 1HE2 GLN 56 -9.311 -10.753 8.329 415 2HE2 GLN 56 2HE2 GLN 56 -9.263 -12.380 8.981 416 H SER 57 H SER 57 -4.800 -10.197 2.905 417 HA SER 57 HA SER 57 -2.760 -12.194 3.218 418 1HB SER 57 1HB SER 57 -3.359 -9.983 1.223 419 2HB SER 57 2HB SER 57 -1.864 -10.875 1.112 420 HG SER 57 HG SER 57 -3.887 -11.557 -0.051 421 H LEU 58 H LEU 58 -2.433 -8.631 2.890 422 HA LEU 58 HA LEU 58 0.372 -8.700 3.141 423 1HB LEU 58 1HB LEU 58 -1.625 -6.488 3.720 424 2HB LEU 58 2HB LEU 58 0.111 -6.265 3.569 425 HG LEU 58 HG LEU 58 -1.654 -7.241 1.296 426 1HD1 LEU 58 1HD1 LEU 58 -2.183 -4.939 1.960 427 2HD1 LEU 58 2HD1 LEU 58 -0.465 -4.500 1.898 428 3HD1 LEU 58 3HD1 LEU 58 -1.326 -4.953 0.409 429 1HD2 LEU 58 1HD2 LEU 58 0.589 -8.036 1.033 430 2HD2 LEU 58 2HD2 LEU 58 0.262 -6.747 -0.107 431 3HD2 LEU 58 3HD2 LEU 58 1.251 -6.402 1.332 432 H VAL 59 H VAL 59 -2.130 -8.250 5.622 433 HA VAL 59 HA VAL 59 -0.543 -7.625 7.864 434 HB VAL 59 HB VAL 59 -3.190 -8.921 7.229 435 1HG1 VAL 59 1HG1 VAL 59 -2.256 -8.443 10.093 436 2HG1 VAL 59 2HG1 VAL 59 -3.916 -8.855 9.555 437 3HG1 VAL 59 3HG1 VAL 59 -2.611 -10.020 9.346 438 1HG2 VAL 59 1HG2 VAL 59 -2.900 -6.472 6.958 439 2HG2 VAL 59 2HG2 VAL 59 -4.031 -6.824 8.267 440 3HG2 VAL 59 3HG2 VAL 59 -2.362 -6.337 8.645 441 H SER 60 H SER 60 -1.168 -10.809 6.313 442 HA SER 60 HA SER 60 0.040 -12.337 8.412 443 1HB SER 60 1HB SER 60 -1.527 -13.063 6.549 444 2HB SER 60 2HB SER 60 -0.117 -13.045 5.470 445 HG SER 60 HG SER 60 0.520 -14.429 7.656 446 H LYS 61 H LYS 61 1.516 -10.175 6.115 447 HA LYS 61 HA LYS 61 4.168 -11.515 6.562 448 1HB LYS 61 1HB LYS 61 3.403 -9.501 4.397 449 2HB LYS 61 2HB LYS 61 4.970 -10.233 4.648 450 1HG LYS 61 1HG LYS 61 4.309 -11.486 2.962 451 2HG LYS 61 2HG LYS 61 3.701 -12.515 4.265 452 1HD LYS 61 1HD LYS 61 1.428 -11.823 3.815 453 2HD LYS 61 2HD LYS 61 1.976 -10.434 2.864 454 1HE LYS 61 1HE LYS 61 1.259 -11.916 1.219 455 2HE LYS 61 2HE LYS 61 3.022 -12.110 1.227 456 1HZ LYS 61 1HZ LYS 61 2.698 -14.129 2.541 457 2HZ LYS 61 2HZ LYS 61 1.060 -13.926 2.513 458 3HZ LYS 61 3HZ LYS 61 1.886 -14.216 1.119 459 H GLY 62 H GLY 62 2.652 -9.862 8.514 460 1HA GLY 62 1HA GLY 62 3.210 -8.265 10.076 461 2HA GLY 62 2HA GLY 62 4.883 -8.503 9.563 462 H VAL 63 H VAL 63 2.363 -7.226 7.387 463 HA VAL 63 HA VAL 63 4.046 -4.933 6.860 464 HB VAL 63 HB VAL 63 1.329 -5.810 5.788 465 1HG1 VAL 63 1HG1 VAL 63 1.559 -4.143 4.059 466 2HG1 VAL 63 2HG1 VAL 63 1.565 -3.340 5.618 467 3HG1 VAL 63 3HG1 VAL 63 3.101 -3.553 4.759 468 1HG2 VAL 63 1HG2 VAL 63 2.578 -6.344 3.726 469 2HG2 VAL 63 2HG2 VAL 63 4.087 -5.794 4.486 470 3HG2 VAL 63 3HG2 VAL 63 3.268 -7.238 5.086 471 H GLU 64 H GLU 64 4.206 -3.701 8.565 472 HA GLU 64 HA GLU 64 1.683 -2.668 9.848 473 1HB GLU 64 1HB GLU 64 4.664 -2.723 10.514 474 2HB GLU 64 2HB GLU 64 3.522 -1.752 11.399 475 1HG GLU 64 1HG GLU 64 2.143 -4.012 11.573 476 2HG GLU 64 2HG GLU 64 3.683 -4.756 11.203 477 H TYR 65 H TYR 65 2.519 -1.778 7.202 478 HA TYR 65 HA TYR 65 2.709 1.125 7.402 479 1HB TYR 65 1HB TYR 65 5.080 -0.570 7.439 480 2HB TYR 65 2HB TYR 65 5.129 0.172 6.064 481 HD1 TYR 65 HD1 TYR 65 5.462 2.776 6.042 482 HD2 TYR 65 HD2 TYR 65 5.324 0.438 9.645 483 HE1 TYR 65 HE1 TYR 65 6.354 4.713 7.359 484 HE2 TYR 65 HE2 TYR 65 6.479 2.201 10.868 485 HH TYR 65 HH TYR 65 7.407 5.300 9.410 486 H LEU 66 H LEU 66 2.473 2.084 5.353 487 HA LEU 66 HA LEU 66 2.355 0.472 2.909 488 1HB LEU 66 1HB LEU 66 0.206 -0.061 3.737 489 2HB LEU 66 2HB LEU 66 -0.012 1.524 4.433 490 HG LEU 66 HG LEU 66 -0.311 2.507 2.253 491 1HD1 LEU 66 1HD1 LEU 66 0.590 1.224 0.520 492 2HD1 LEU 66 2HD1 LEU 66 -0.070 -0.305 1.172 493 3HD1 LEU 66 3HD1 LEU 66 -1.100 0.916 0.384 494 1HD2 LEU 66 1HD2 LEU 66 -2.616 1.705 2.024 495 2HD2 LEU 66 2HD2 LEU 66 -2.192 0.169 2.827 496 3HD2 LEU 66 3HD2 LEU 66 -2.177 1.690 3.718 497 H ILE 67 H ILE 67 2.252 1.856 1.012 498 HA ILE 67 HA ILE 67 2.407 4.813 1.458 499 HB ILE 67 HB ILE 67 3.964 3.048 -0.484 500 1HG1 ILE 67 1HG1 ILE 67 5.131 5.026 1.560 501 2HG1 ILE 67 2HG1 ILE 67 4.773 3.410 2.103 502 1HG2 ILE 67 1HG2 ILE 67 3.710 6.071 -0.249 503 2HG2 ILE 67 2HG2 ILE 67 5.163 5.343 -0.926 504 3HG2 ILE 67 3HG2 ILE 67 3.602 5.014 -1.688 505 1HD1 ILE 67 1HD1 ILE 67 7.157 3.824 1.402 506 2HD1 ILE 67 2HD1 ILE 67 6.346 2.360 0.810 507 3HD1 ILE 67 3HD1 ILE 67 6.564 3.720 -0.272 508 H ALA 68 H ALA 68 0.390 5.463 0.669 509 HA ALA 68 HA ALA 68 -0.495 4.618 -1.952 510 1HB ALA 68 1HB ALA 68 -2.030 3.629 0.490 511 2HB ALA 68 2HB ALA 68 -2.615 3.598 -1.189 512 3HB ALA 68 3HB ALA 68 -1.180 2.665 -0.727 513 H SER 69 H SER 69 -0.954 6.749 -2.385 514 HA SER 69 HA SER 69 -1.968 8.725 -0.572 515 1HB SER 69 1HB SER 69 -1.531 8.604 -3.483 516 2HB SER 69 2HB SER 69 -2.794 9.741 -3.055 517 HG SER 69 HG SER 69 -0.553 10.418 -2.991 518 H ASN 70 H ASN 70 -3.860 6.135 -1.828 519 HA ASN 70 HA ASN 70 -6.101 7.320 -0.649 520 1HB ASN 70 1HB ASN 70 -5.877 7.605 -3.611 521 2HB ASN 70 2HB ASN 70 -7.331 6.720 -3.144 522 1HD2 ASN 70 1HD2 ASN 70 -6.338 9.897 -3.825 523 2HD2 ASN 70 2HD2 ASN 70 -7.439 10.704 -2.730 524 H VAL 71 H VAL 71 -8.118 5.693 -1.454 525 HA VAL 71 HA VAL 71 -7.114 2.937 -1.460 526 HB VAL 71 HB VAL 71 -7.299 3.878 0.870 527 1HG1 VAL 71 1HG1 VAL 71 -9.516 5.046 0.608 528 2HG1 VAL 71 2HG1 VAL 71 -10.268 3.463 0.505 529 3HG1 VAL 71 3HG1 VAL 71 -9.390 3.927 1.985 530 1HG2 VAL 71 1HG2 VAL 71 -7.785 1.915 1.810 531 2HG2 VAL 71 2HG2 VAL 71 -9.092 1.491 0.658 532 3HG2 VAL 71 3HG2 VAL 71 -7.389 1.399 0.174 533 H GLY 72 H GLY 72 -8.875 1.506 -1.854 534 1HA GLY 72 1HA GLY 72 -10.400 2.103 -4.207 535 2HA GLY 72 2HA GLY 72 -10.666 0.720 -3.143 536 H ARG 73 H ARG 73 -11.258 1.808 -0.814 537 HA ARG 73 HA ARG 73 -12.924 3.814 -0.210 538 1HB ARG 73 1HB ARG 73 -14.545 1.830 -1.746 539 2HB ARG 73 2HB ARG 73 -15.223 2.374 -0.213 540 1HG ARG 73 1HG ARG 73 -14.944 4.752 -0.893 541 2HG ARG 73 2HG ARG 73 -14.426 4.203 -2.474 542 1HD ARG 73 1HD ARG 73 -16.640 2.833 -2.513 543 2HD ARG 73 2HD ARG 73 -17.138 3.944 -1.207 544 HE ARG 73 HE ARG 73 -16.182 5.691 -2.943 545 1HH1 ARG 73 2HH2 ARG 73 -18.717 3.289 -3.357 546 2HH1 ARG 73 1HH2 ARG 73 -19.164 3.839 -4.954 547 1HH2 ARG 73 2HH1 ARG 73 -16.765 6.432 -5.001 548 2HH2 ARG 73 1HH1 ARG 73 -18.166 5.735 -5.810 549 H ASN 74 H ASN 74 -14.170 0.513 0.276 550 HA ASN 74 HA ASN 74 -13.522 0.462 3.082 551 1HB ASN 74 1HB ASN 74 -14.273 -1.695 1.063 552 2HB ASN 74 2HB ASN 74 -13.684 -2.123 2.666 553 1HD2 ASN 74 1HD2 ASN 74 -15.854 -3.178 2.911 554 2HD2 ASN 74 2HD2 ASN 74 -17.230 -2.148 3.299 555 H ALA 75 H ALA 75 -11.793 -0.267 4.047 556 HA ALA 75 HA ALA 75 -10.230 -2.233 3.950 557 1HB ALA 75 1HB ALA 75 -8.700 -0.288 2.199 558 2HB ALA 75 2HB ALA 75 -8.058 -1.783 2.916 559 3HB ALA 75 3HB ALA 75 -9.321 -1.898 1.700 560 H PHE 76 H PHE 76 -10.123 1.245 4.179 561 HA PHE 76 HA PHE 76 -7.854 1.816 5.650 562 1HB PHE 76 1HB PHE 76 -9.226 3.456 4.627 563 2HB PHE 76 2HB PHE 76 -10.646 2.990 5.536 564 HD1 PHE 76 HD1 PHE 76 -10.972 3.890 7.888 565 HD2 PHE 76 HD2 PHE 76 -7.442 4.771 5.594 566 HE1 PHE 76 HE1 PHE 76 -10.525 5.842 9.329 567 HE2 PHE 76 HE2 PHE 76 -6.906 6.648 7.123 568 HZ PHE 76 HZ PHE 76 -8.514 7.239 8.970 569 H GLU 77 H GLU 77 -11.033 0.797 6.857 570 HA GLU 77 HA GLU 77 -10.466 1.031 9.649 571 1HB GLU 77 1HB GLU 77 -12.548 -0.490 8.043 572 2HB GLU 77 2HB GLU 77 -12.600 -0.271 9.803 573 1HG GLU 77 1HG GLU 77 -12.910 2.079 9.635 574 2HG GLU 77 2HG GLU 77 -12.369 2.155 7.972 575 H THR 78 H THR 78 -10.107 -1.635 7.217 576 HA THR 78 HA THR 78 -9.450 -3.602 9.174 577 HB THR 78 HB THR 78 -8.689 -3.902 6.269 578 HG1 THR 78 HG1 THR 78 -10.820 -4.110 5.631 579 1HG2 THR 78 1HG2 THR 78 -10.145 -5.614 8.331 580 2HG2 THR 78 2HG2 THR 78 -9.859 -6.106 6.665 581 3HG2 THR 78 3HG2 THR 78 -8.484 -5.833 7.734 582 H LEU 79 H LEU 79 -7.698 -1.058 7.560 583 HA LEU 79 HA LEU 79 -5.044 -2.209 7.869 584 1HB LEU 79 1HB LEU 79 -6.006 0.655 7.427 585 2HB LEU 79 2HB LEU 79 -4.324 0.266 7.617 586 HG LEU 79 HG LEU 79 -6.085 -0.935 5.431 587 1HD1 LEU 79 1HD1 LEU 79 -5.158 0.612 3.880 588 2HD1 LEU 79 2HD1 LEU 79 -5.716 1.578 5.252 589 3HD1 LEU 79 3HD1 LEU 79 -3.990 1.203 5.059 590 1HD2 LEU 79 1HD2 LEU 79 -4.192 -2.365 5.881 591 2HD2 LEU 79 2HD2 LEU 79 -3.724 -1.401 4.480 592 3HD2 LEU 79 3HD2 LEU 79 -3.106 -0.974 6.056 593 H LYS 80 H LYS 80 -6.669 0.429 9.632 594 HA LYS 80 HA LYS 80 -4.784 0.508 11.740 595 1HB LYS 80 1HB LYS 80 -6.609 1.759 12.866 596 2HB LYS 80 2HB LYS 80 -6.041 2.346 11.314 597 1HG LYS 80 1HG LYS 80 -8.184 0.980 10.451 598 2HG LYS 80 2HG LYS 80 -8.743 1.257 12.085 599 1HD LYS 80 1HD LYS 80 -9.483 2.983 10.422 600 2HD LYS 80 2HD LYS 80 -8.605 3.685 11.788 601 1HE LYS 80 1HE LYS 80 -6.955 2.910 9.407 602 2HE LYS 80 2HE LYS 80 -8.122 4.179 9.106 603 1HZ LYS 80 1HZ LYS 80 -7.136 5.482 10.877 604 2HZ LYS 80 2HZ LYS 80 -6.042 4.295 11.215 605 3HZ LYS 80 3HZ LYS 80 -5.990 5.042 9.767 606 H ALA 81 H ALA 81 -7.701 -1.407 11.378 607 HA ALA 81 HA ALA 81 -7.974 -2.634 13.845 608 1HB ALA 81 1HB ALA 81 -9.381 -3.223 11.951 609 2HB ALA 81 2HB ALA 81 -8.009 -3.987 11.120 610 3HB ALA 81 3HB ALA 81 -8.634 -4.693 12.603 611 H ALA 82 H ALA 82 -5.358 -3.259 11.449 612 HA ALA 82 HA ALA 82 -4.000 -5.021 13.445 613 1HB ALA 82 1HB ALA 82 -4.480 -6.138 11.320 614 2HB ALA 82 2HB ALA 82 -3.798 -4.768 10.402 615 3HB ALA 82 3HB ALA 82 -2.744 -5.813 11.386 616 H GLY 83 H GLY 83 -4.038 -2.114 13.595 617 1HA GLY 83 1HA GLY 83 -2.779 -0.303 13.681 618 2HA GLY 83 2HA GLY 83 -1.516 -1.374 14.338 619 H VAL 84 H VAL 84 -2.732 -1.324 10.948 620 HA VAL 84 HA VAL 84 -0.004 -1.104 10.064 621 HB VAL 84 HB VAL 84 -2.621 -1.143 8.482 622 1HG1 VAL 84 1HG1 VAL 84 -1.192 -2.119 6.672 623 2HG1 VAL 84 2HG1 VAL 84 -0.761 -0.440 7.043 624 3HG1 VAL 84 3HG1 VAL 84 0.235 -1.777 7.646 625 1HG2 VAL 84 1HG2 VAL 84 -2.497 -3.047 9.950 626 2HG2 VAL 84 2HG2 VAL 84 -2.193 -3.589 8.293 627 3HG2 VAL 84 3HG2 VAL 84 -0.850 -3.411 9.452 628 H LYS 85 H LYS 85 1.143 0.640 9.518 629 HA LYS 85 HA LYS 85 -0.134 3.222 9.710 630 1HB LYS 85 1HB LYS 85 2.202 2.508 10.523 631 2HB LYS 85 2HB LYS 85 2.733 2.688 8.849 632 1HG LYS 85 1HG LYS 85 2.231 5.002 8.815 633 2HG LYS 85 2HG LYS 85 1.296 4.931 10.325 634 1HD LYS 85 1HD LYS 85 4.119 3.922 10.473 635 2HD LYS 85 2HD LYS 85 3.914 5.633 10.145 636 1HE LYS 85 1HE LYS 85 4.061 5.563 12.467 637 2HE LYS 85 2HE LYS 85 2.327 5.717 12.138 638 1HZ LYS 85 1HZ LYS 85 3.703 3.181 12.862 639 2HZ LYS 85 2HZ LYS 85 2.753 4.099 13.840 640 3HZ LYS 85 3HZ LYS 85 2.097 3.339 12.574 641 H VAL 86 H VAL 86 0.262 4.873 7.798 642 HA VAL 86 HA VAL 86 0.189 3.650 5.136 643 HB VAL 86 HB VAL 86 -2.203 5.222 6.195 644 1HG1 VAL 86 1HG1 VAL 86 -1.576 3.910 3.524 645 2HG1 VAL 86 2HG1 VAL 86 -3.247 4.219 4.007 646 3HG1 VAL 86 3HG1 VAL 86 -2.112 5.555 3.850 647 1HG2 VAL 86 1HG2 VAL 86 -2.323 3.104 7.325 648 2HG2 VAL 86 2HG2 VAL 86 -3.491 3.091 6.021 649 3HG2 VAL 86 3HG2 VAL 86 -1.944 2.208 5.851 650 H TYR 87 H TYR 87 1.118 5.099 3.731 651 HA TYR 87 HA TYR 87 1.425 7.935 4.537 652 1HB TYR 87 1HB TYR 87 3.340 5.923 3.341 653 2HB TYR 87 2HB TYR 87 3.373 7.493 2.646 654 HD1 TYR 87 HD1 TYR 87 3.233 6.205 6.238 655 HD2 TYR 87 HD2 TYR 87 5.015 8.847 3.383 656 HE1 TYR 87 HE1 TYR 87 4.936 6.840 7.909 657 HE2 TYR 87 HE2 TYR 87 6.598 9.672 5.080 658 HH TYR 87 HH TYR 87 7.451 9.365 7.186 659 H ARG 88 H ARG 88 1.671 9.357 2.760 660 HA ARG 88 HA ARG 88 -0.243 9.025 0.563 661 1HB ARG 88 1HB ARG 88 -0.071 11.128 1.827 662 2HB ARG 88 2HB ARG 88 1.661 11.164 1.563 663 1HG ARG 88 1HG ARG 88 1.354 12.636 0.007 664 2HG ARG 88 2HG ARG 88 0.731 11.378 -1.046 665 1HD ARG 88 1HD ARG 88 -1.562 11.904 -0.435 666 2HD ARG 88 2HD ARG 88 -1.010 12.950 0.894 667 HE ARG 88 HE ARG 88 0.182 13.925 -1.457 668 1HH1 ARG 88 2HH2 ARG 88 -3.055 13.819 0.080 669 2HH1 ARG 88 1HH2 ARG 88 -3.524 15.331 -0.553 670 1HH2 ARG 88 2HH1 ARG 88 -0.464 15.856 -2.262 671 2HH2 ARG 88 1HH1 ARG 88 -2.035 16.549 -1.950 672 H PHE 89 H PHE 89 0.536 9.088 -1.683 673 HA PHE 89 HA PHE 89 3.352 9.458 -2.336 674 1HB PHE 89 1HB PHE 89 3.806 7.275 -2.635 675 2HB PHE 89 2HB PHE 89 2.163 6.796 -2.303 676 HD1 PHE 89 HD1 PHE 89 4.577 7.477 -5.092 677 HD2 PHE 89 HD2 PHE 89 0.458 6.607 -4.031 678 HE1 PHE 89 HE1 PHE 89 3.999 7.173 -7.397 679 HE2 PHE 89 HE2 PHE 89 -0.125 6.411 -6.404 680 HZ PHE 89 HZ PHE 89 1.657 6.774 -8.148 681 H GLU 90 H GLU 90 3.294 10.782 -4.445 682 HA GLU 90 HA GLU 90 0.453 11.055 -5.403 683 1HB GLU 90 1HB GLU 90 0.525 13.430 -5.278 684 2HB GLU 90 2HB GLU 90 0.681 12.594 -3.738 685 1HG GLU 90 1HG GLU 90 3.142 13.110 -3.728 686 2HG GLU 90 2HG GLU 90 2.906 14.058 -5.211 687 H GLY 91 H GLY 91 2.527 9.635 -6.503 688 1HA GLY 91 1HA GLY 91 2.206 9.292 -8.998 689 2HA GLY 91 2HA GLY 91 2.766 10.954 -9.202 690 H GLY 92 H GLY 92 3.872 7.972 -9.826 691 1HA GLY 92 1HA GLY 92 6.636 8.221 -9.782 692 2HA GLY 92 2HA GLY 92 6.142 7.832 -8.137 693 H THR 93 H THR 93 7.755 6.136 -9.703 694 HA THR 93 HA THR 93 6.121 3.728 -10.179 695 HB THR 93 HB THR 93 8.416 2.806 -10.716 696 HG1 THR 93 HG1 THR 93 9.300 5.452 -11.026 697 1HG2 THR 93 1HG2 THR 93 8.538 3.912 -12.923 698 2HG2 THR 93 2HG2 THR 93 6.870 3.509 -12.480 699 3HG2 THR 93 3HG2 THR 93 7.431 5.182 -12.345 700 H VAL 94 H VAL 94 6.887 1.668 -8.992 701 HA VAL 94 HA VAL 94 6.535 1.763 -6.369 702 HB VAL 94 HB VAL 94 8.570 0.000 -7.670 703 1HG1 VAL 94 1HG1 VAL 94 8.404 -0.100 -5.142 704 2HG1 VAL 94 2HG1 VAL 94 6.745 -0.688 -5.367 705 3HG1 VAL 94 3HG1 VAL 94 8.142 -1.586 -6.015 706 1HG2 VAL 94 1HG2 VAL 94 6.547 -1.621 -7.879 707 2HG2 VAL 94 2HG2 VAL 94 5.604 -0.119 -7.919 708 3HG2 VAL 94 3HG2 VAL 94 6.877 -0.420 -9.104 709 H GLN 95 H GLN 95 9.812 2.079 -7.823 710 HA GLN 95 HA GLN 95 11.190 2.412 -5.486 711 1HB GLN 95 1HB GLN 95 11.968 2.226 -8.028 712 2HB GLN 95 2HB GLN 95 11.798 3.981 -8.032 713 1HG GLN 95 1HG GLN 95 13.445 4.023 -6.096 714 2HG GLN 95 2HG GLN 95 13.740 2.310 -6.402 715 1HE2 GLN 95 1HE2 GLN 95 14.515 1.743 -8.748 716 2HE2 GLN 95 2HE2 GLN 95 15.524 2.968 -9.488 717 H GLU 96 H GLU 96 9.262 4.858 -6.971 718 HA GLU 96 HA GLU 96 10.565 7.194 -5.780 719 1HB GLU 96 1HB GLU 96 7.878 6.629 -7.080 720 2HB GLU 96 2HB GLU 96 8.283 8.237 -6.539 721 1HG GLU 96 1HG GLU 96 9.723 6.584 -8.680 722 2HG GLU 96 2HG GLU 96 8.567 7.853 -8.996 723 H ALA 97 H ALA 97 7.585 5.196 -5.224 724 HA ALA 97 HA ALA 97 6.688 6.522 -2.912 725 1HB ALA 97 1HB ALA 97 6.515 3.721 -4.028 726 2HB ALA 97 2HB ALA 97 5.928 4.012 -2.413 727 3HB ALA 97 3HB ALA 97 5.235 4.916 -3.781 728 H ILE 98 H ILE 98 9.532 4.477 -3.234 729 HA ILE 98 HA ILE 98 9.764 4.156 -0.278 730 HB ILE 98 HB ILE 98 11.821 3.286 -2.364 731 1HG1 ILE 98 1HG1 ILE 98 10.035 2.594 -3.368 732 2HG1 ILE 98 2HG1 ILE 98 10.758 1.125 -2.611 733 1HG2 ILE 98 1HG2 ILE 98 10.933 2.021 0.295 734 2HG2 ILE 98 2HG2 ILE 98 12.250 1.456 -0.741 735 3HG2 ILE 98 3HG2 ILE 98 12.381 3.020 0.062 736 1HD1 ILE 98 1HD1 ILE 98 9.027 1.234 -0.844 737 2HD1 ILE 98 2HD1 ILE 98 8.189 2.519 -1.739 738 3HD1 ILE 98 3HD1 ILE 98 8.405 0.932 -2.505 739 H ASP 99 H ASP 99 11.631 5.439 -3.112 740 HA ASP 99 HA ASP 99 13.758 6.407 -1.605 741 1HB ASP 99 1HB ASP 99 13.208 6.323 -4.277 742 2HB ASP 99 2HB ASP 99 12.965 8.036 -3.987 743 H ALA 100 H ALA 100 10.591 7.679 -2.420 744 HA ALA 100 HA ALA 100 11.159 10.382 -1.446 745 1HB ALA 100 1HB ALA 100 8.796 10.816 -1.830 746 2HB ALA 100 2HB ALA 100 9.461 9.910 -3.197 747 3HB ALA 100 3HB ALA 100 8.472 9.072 -2.001 748 H PHE 101 H PHE 101 9.377 7.554 -0.093 749 HA PHE 101 HA PHE 101 8.761 8.666 2.458 750 1HB PHE 101 1HB PHE 101 7.654 6.723 2.137 751 2HB PHE 101 2HB PHE 101 8.939 5.989 1.187 752 HD1 PHE 101 HD1 PHE 101 10.870 4.846 2.153 753 HD2 PHE 101 HD2 PHE 101 7.410 5.958 4.479 754 HE1 PHE 101 HE1 PHE 101 11.701 3.469 4.023 755 HE2 PHE 101 HE2 PHE 101 8.231 4.490 6.314 756 HZ PHE 101 HZ PHE 101 10.369 3.303 6.122 757 H SER 102 H SER 102 11.579 6.929 1.317 758 HA SER 102 HA SER 102 12.810 6.616 3.839 759 1HB SER 102 1HB SER 102 14.663 5.718 2.632 760 2HB SER 102 2HB SER 102 13.164 5.231 1.799 761 HG SER 102 HG SER 102 13.807 7.290 0.465 762 H GLU 103 H GLU 103 12.981 9.163 1.414 763 HA GLU 103 HA GLU 103 14.798 10.786 3.138 764 1HB GLU 103 1HB GLU 103 13.767 10.926 0.253 765 2HB GLU 103 2HB GLU 103 14.847 12.114 0.940 766 1HG GLU 103 1HG GLU 103 15.793 9.236 1.136 767 2HG GLU 103 2HG GLU 103 15.659 9.918 -0.479 768 H GLY 104 H GLY 104 12.005 10.129 3.811 769 1HA GLY 104 1HA GLY 104 10.234 11.119 4.726 770 2HA GLY 104 2HA GLY 104 11.383 12.448 5.067 771 H ARG 105 H ARG 105 10.734 11.952 1.700 772 HA ARG 105 HA ARG 105 9.337 14.540 1.528 773 1HB ARG 105 1HB ARG 105 10.060 12.513 -0.647 774 2HB ARG 105 2HB ARG 105 9.533 14.174 -0.846 775 1HG ARG 105 1HG ARG 105 11.761 14.696 0.571 776 2HG ARG 105 2HG ARG 105 12.182 13.040 0.100 777 1HD ARG 105 1HD ARG 105 13.190 14.495 -1.499 778 2HD ARG 105 2HD ARG 105 11.875 13.626 -2.291 779 HE ARG 105 HE ARG 105 10.807 15.620 -2.680 780 1HH1 ARG 105 2HH2 ARG 105 13.318 16.205 -0.216 781 2HH1 ARG 105 1HH2 ARG 105 13.102 17.910 -0.200 782 1HH2 ARG 105 2HH1 ARG 105 10.341 17.774 -2.488 783 2HH2 ARG 105 1HH1 ARG 105 11.221 18.826 -1.403 784 H LEU 106 H LEU 106 7.791 12.260 2.780 785 HA LEU 106 HA LEU 106 5.563 12.466 0.913 786 1HB LEU 106 1HB LEU 106 6.601 9.885 2.178 787 2HB LEU 106 2HB LEU 106 4.959 10.021 1.567 788 HG LEU 106 HG LEU 106 7.504 10.198 -0.050 789 1HD1 LEU 106 1HD1 LEU 106 6.887 7.936 0.617 790 2HD1 LEU 106 2HD1 LEU 106 5.255 8.130 0.025 791 3HD1 LEU 106 3HD1 LEU 106 6.613 8.124 -1.108 792 1HD2 LEU 106 1HD2 LEU 106 4.570 10.503 -0.894 793 2HD2 LEU 106 2HD2 LEU 106 5.861 11.662 -1.173 794 3HD2 LEU 106 3HD2 LEU 106 5.878 10.148 -2.050 795 H GLU 107 H GLU 107 3.534 11.392 2.361 796 HA GLU 107 HA GLU 107 3.641 12.906 4.926 797 1HB GLU 107 1HB GLU 107 1.124 12.399 3.345 798 2HB GLU 107 2HB GLU 107 1.382 13.587 4.591 799 1HG GLU 107 1HG GLU 107 2.786 13.785 1.884 800 2HG GLU 107 2HG GLU 107 1.133 14.318 2.123 801 H GLU 108 H GLU 108 2.131 11.968 6.622 802 HA GLU 108 HA GLU 108 1.652 9.079 6.326 803 1HB GLU 108 1HB GLU 108 2.493 10.443 8.439 804 2HB GLU 108 2HB GLU 108 0.807 10.915 8.576 805 1HG GLU 108 1HG GLU 108 0.215 8.493 8.788 806 2HG GLU 108 2HG GLU 108 1.919 8.083 8.641 807 H LEU 109 H LEU 109 -0.341 8.351 5.772 808 HA LEU 109 HA LEU 109 -2.531 10.307 5.384 809 1HB LEU 109 1HB LEU 109 -1.553 9.519 3.187 810 2HB LEU 109 2HB LEU 109 -2.093 7.901 3.671 811 HG LEU 109 HG LEU 109 -4.451 8.998 3.993 812 1HD1 LEU 109 1HD1 LEU 109 -3.846 11.341 3.843 813 2HD1 LEU 109 2HD1 LEU 109 -3.191 11.074 2.203 814 3HD1 LEU 109 3HD1 LEU 109 -4.942 10.898 2.536 815 1HD2 LEU 109 1HD2 LEU 109 -3.859 7.421 2.202 816 2HD2 LEU 109 2HD2 LEU 109 -5.026 8.676 1.696 817 3HD2 LEU 109 3HD2 LEU 109 -3.292 8.787 1.229 818 H THR 110 H THR 110 -2.469 9.468 7.817 819 HA THR 110 HA THR 110 -3.870 6.862 7.999 820 HB THR 110 HB THR 110 -1.706 6.963 8.858 821 HG1 THR 110 HG1 THR 110 -3.577 6.538 10.928 822 1HG2 THR 110 1HG2 THR 110 -1.562 8.169 11.024 823 2HG2 THR 110 2HG2 THR 110 -1.748 9.177 9.588 824 3HG2 THR 110 3HG2 THR 110 -3.158 8.865 10.606 825 H THR 111 H THR 111 -5.180 9.225 7.031 826 HA THR 111 HA THR 111 -7.524 9.349 8.747 827 HB THR 111 HB THR 111 -6.537 10.788 10.202 828 HG1 THR 111 HG1 THR 111 -7.163 12.526 8.084 829 1HG2 THR 111 1HG2 THR 111 -4.886 12.573 9.663 830 2HG2 THR 111 2HG2 THR 111 -4.283 10.964 9.382 831 3HG2 THR 111 3HG2 THR 111 -4.798 11.960 7.994 832 H PHE 112 H PHE 112 -8.557 8.716 6.832 833 HA PHE 112 HA PHE 112 -8.325 10.342 4.413 834 1HB PHE 112 1HB PHE 112 -9.876 7.909 5.301 835 2HB PHE 112 2HB PHE 112 -10.453 8.845 3.932 836 HD1 PHE 112 HD1 PHE 112 -9.938 7.966 1.881 837 HD2 PHE 112 HD2 PHE 112 -7.041 7.613 5.064 838 HE1 PHE 112 HE1 PHE 112 -8.353 6.921 0.337 839 HE2 PHE 112 HE2 PHE 112 -5.504 6.471 3.524 840 HZ PHE 112 HZ PHE 112 -6.121 6.074 1.198 841 H THR 113 H THR 113 -10.059 11.394 3.514 842 HA THR 113 HA THR 113 -12.077 12.620 5.348 843 HB THR 113 HB THR 113 -10.896 14.339 3.279 844 HG1 THR 113 HG1 THR 113 -9.132 14.317 5.362 845 1HG2 THR 113 1HG2 THR 113 -10.783 15.976 5.145 846 2HG2 THR 113 2HG2 THR 113 -12.374 15.214 5.048 847 3HG2 THR 113 3HG2 THR 113 -11.228 14.696 6.293 848 H ARG 114 H ARG 114 -12.841 10.601 3.971 849 HA ARG 114 HA ARG 114 -13.990 11.480 1.358 850 1HB ARG 114 1HB ARG 114 -12.147 9.747 1.145 851 2HB ARG 114 2HB ARG 114 -13.075 8.658 2.172 852 1HG ARG 114 1HG ARG 114 -13.357 8.109 -0.209 853 2HG ARG 114 2HG ARG 114 -14.909 8.601 0.477 854 1HD ARG 114 1HD ARG 114 -14.802 10.760 -0.530 855 2HD ARG 114 2HD ARG 114 -13.053 10.595 -0.856 856 HE ARG 114 HE ARG 114 -14.708 8.641 -2.199 857 1HH1 ARG 114 2HH2 ARG 114 -13.572 11.977 -2.321 858 2HH1 ARG 114 1HH2 ARG 114 -13.512 12.127 -4.033 859 1HH2 ARG 114 2HH1 ARG 114 -14.814 8.747 -4.481 860 2HH2 ARG 114 1HH1 ARG 114 -14.574 10.252 -5.302 861 H GLU 115 H GLU 115 -15.852 12.147 1.976 862 HA GLU 115 HA GLU 115 -17.422 10.697 3.928 863 1HB GLU 115 1HB GLU 115 -17.422 13.146 3.782 864 2HB GLU 115 2HB GLU 115 -18.035 13.063 2.138 865 1HG GLU 115 1HG GLU 115 -19.875 13.535 3.744 866 2HG GLU 115 2HG GLU 115 -20.128 11.926 3.045 867 H GLY 116 H GLY 116 -17.821 8.693 3.177 868 1HA GLY 116 1HA GLY 116 -19.430 7.211 2.263 869 2HA GLY 116 2HA GLY 116 -19.824 8.394 1.017 Start of MODEL 6 1 1H MET 1 H1 MET 1 12.216 -2.010 12.304 2 HA MET 1 HA MET 1 12.155 -3.704 10.569 3 1HB MET 1 1HB MET 1 10.772 -5.765 11.030 4 2HB MET 1 2HB MET 1 12.321 -5.699 11.858 5 1HG MET 1 1HG MET 1 11.161 -4.936 13.930 6 2HG MET 1 2HG MET 1 9.611 -5.168 13.120 7 1HE MET 1 1HE MET 1 9.901 -7.929 15.854 8 2HE MET 1 2HE MET 1 10.972 -6.507 15.943 9 3HE MET 1 3HE MET 1 9.289 -6.315 15.436 10 H ALA 2 H ALA 2 10.781 -2.578 9.141 11 HA ALA 2 HA ALA 2 7.964 -2.496 9.886 12 1HB ALA 2 1HB ALA 2 7.842 -0.072 9.276 13 2HB ALA 2 2HB ALA 2 8.763 -0.372 10.760 14 3HB ALA 2 3HB ALA 2 9.604 -0.024 9.234 15 H ARG 3 H ARG 3 7.252 -3.842 8.432 16 HA ARG 3 HA ARG 3 8.260 -3.729 5.712 17 1HB ARG 3 1HB ARG 3 6.355 -5.408 7.326 18 2HB ARG 3 2HB ARG 3 6.151 -5.387 5.568 19 1HG ARG 3 1HG ARG 3 8.333 -6.209 5.169 20 2HG ARG 3 2HG ARG 3 8.924 -5.709 6.758 21 1HD ARG 3 1HD ARG 3 6.777 -7.653 7.063 22 2HD ARG 3 2HD ARG 3 8.029 -8.250 5.978 23 HE ARG 3 HE ARG 3 9.669 -8.012 7.617 24 1HH1 ARG 3 2HH2 ARG 3 6.388 -7.315 8.963 25 2HH1 ARG 3 1HH2 ARG 3 6.959 -7.484 10.592 26 1HH2 ARG 3 2HH1 ARG 3 10.309 -8.062 9.923 27 2HH2 ARG 3 1HH1 ARG 3 9.051 -7.930 11.123 28 H VAL 4 H VAL 4 7.640 -2.337 4.270 29 HA VAL 4 HA VAL 4 4.966 -1.080 4.509 30 HB VAL 4 HB VAL 4 7.436 0.095 4.394 31 1HG1 VAL 4 1HG1 VAL 4 6.647 0.258 1.525 32 2HG1 VAL 4 2HG1 VAL 4 8.120 0.869 2.324 33 3HG1 VAL 4 3HG1 VAL 4 7.857 -0.867 2.162 34 1HG2 VAL 4 1HG2 VAL 4 6.418 2.149 3.557 35 2HG2 VAL 4 2HG2 VAL 4 4.991 1.241 2.990 36 3HG2 VAL 4 3HG2 VAL 4 5.355 1.375 4.716 37 H ALA 5 H ALA 5 3.407 -1.347 2.872 38 HA ALA 5 HA ALA 5 4.309 -3.382 0.811 39 1HB ALA 5 1HB ALA 5 2.010 -4.207 0.838 40 2HB ALA 5 2HB ALA 5 2.789 -4.328 2.417 41 3HB ALA 5 3HB ALA 5 1.604 -3.047 2.137 42 H ILE 6 H ILE 6 4.778 -2.049 -0.975 43 HA ILE 6 HA ILE 6 3.123 0.317 -1.351 44 HB ILE 6 HB ILE 6 5.408 -0.624 -3.071 45 1HG1 ILE 6 1HG1 ILE 6 6.455 1.389 -1.652 46 2HG1 ILE 6 2HG1 ILE 6 5.338 0.815 -0.436 47 1HG2 ILE 6 1HG2 ILE 6 5.577 1.671 -3.788 48 2HG2 ILE 6 2HG2 ILE 6 3.980 1.043 -4.156 49 3HG2 ILE 6 3HG2 ILE 6 4.193 2.134 -2.767 50 1HD1 ILE 6 1HD1 ILE 6 7.722 -0.191 -0.405 51 2HD1 ILE 6 2HD1 ILE 6 6.415 -1.334 -0.327 52 3HD1 ILE 6 3HD1 ILE 6 7.279 -1.077 -1.866 53 HA PRO 7 HA PRO 7 0.442 -1.812 -4.372 54 1HB PRO 7 1HB PRO 7 -0.843 0.505 -5.238 55 2HB PRO 7 2HB PRO 7 -1.290 -0.407 -3.770 56 1HG PRO 7 1HG PRO 7 0.040 2.220 -3.961 57 2HG PRO 7 2HG PRO 7 -0.743 1.437 -2.563 58 1HD PRO 7 1HD PRO 7 1.940 1.650 -3.195 59 2HD PRO 7 2HD PRO 7 1.187 0.861 -1.752 60 H SER 8 H SER 8 0.818 -2.278 -6.487 61 HA SER 8 HA SER 8 2.257 -0.342 -8.231 62 1HB SER 8 1HB SER 8 3.825 -1.892 -7.154 63 2HB SER 8 2HB SER 8 2.838 -3.272 -7.583 64 HG SER 8 HG SER 8 4.254 -3.256 -9.199 65 H VAL 9 H VAL 9 1.992 -0.991 -10.519 66 HA VAL 9 HA VAL 9 -0.116 -3.027 -11.051 67 HB VAL 9 HB VAL 9 -0.844 -1.794 -13.035 68 1HG1 VAL 9 1HG1 VAL 9 -1.009 0.080 -10.656 69 2HG1 VAL 9 2HG1 VAL 9 -2.177 -0.136 -11.966 70 3HG1 VAL 9 3HG1 VAL 9 -1.950 -1.439 -10.777 71 1HG2 VAL 9 1HG2 VAL 9 -0.318 0.546 -13.439 72 2HG2 VAL 9 2HG2 VAL 9 0.799 0.587 -12.073 73 3HG2 VAL 9 3HG2 VAL 9 1.177 -0.387 -13.511 74 H GLY 10 H GLY 10 2.672 -3.508 -10.658 75 1HA GLY 10 1HA GLY 10 2.823 -5.344 -12.775 76 2HA GLY 10 2HA GLY 10 4.078 -4.123 -13.022 77 H LYS 11 H LYS 11 4.982 -6.584 -12.636 78 HA LYS 11 HA LYS 11 5.384 -7.191 -9.767 79 1HB LYS 11 1HB LYS 11 5.795 -8.770 -12.334 80 2HB LYS 11 2HB LYS 11 6.208 -9.384 -10.718 81 1HG LYS 11 1HG LYS 11 3.905 -9.300 -10.118 82 2HG LYS 11 2HG LYS 11 3.519 -8.688 -11.762 83 1HD LYS 11 1HD LYS 11 5.009 -11.319 -11.449 84 2HD LYS 11 2HD LYS 11 3.294 -11.260 -11.122 85 1HE LYS 11 1HE LYS 11 3.312 -11.855 -13.346 86 2HE LYS 11 2HE LYS 11 3.009 -10.121 -13.425 87 1HZ LYS 11 1HZ LYS 11 4.685 -10.795 -15.013 88 2HZ LYS 11 2HZ LYS 11 5.415 -9.845 -13.915 89 3HZ LYS 11 3HZ LYS 11 5.597 -11.493 -13.844 90 H ASP 12 H ASP 12 6.686 -4.885 -10.620 91 HA ASP 12 HA ASP 12 9.503 -5.678 -10.518 92 1HB ASP 12 1HB ASP 12 8.240 -4.436 -12.933 93 2HB ASP 12 2HB ASP 12 9.769 -3.772 -12.423 94 H LEU 13 H LEU 13 10.816 -4.002 -9.852 95 HA LEU 13 HA LEU 13 9.588 -2.239 -7.899 96 1HB LEU 13 1HB LEU 13 11.875 -3.629 -7.983 97 2HB LEU 13 2HB LEU 13 12.500 -2.131 -8.641 98 HG LEU 13 HG LEU 13 12.958 -2.384 -6.287 99 1HD1 LEU 13 1HD1 LEU 13 12.398 -0.228 -5.482 100 2HD1 LEU 13 2HD1 LEU 13 12.513 -0.092 -7.264 101 3HD1 LEU 13 3HD1 LEU 13 10.937 -0.148 -6.447 102 1HD2 LEU 13 1HD2 LEU 13 11.301 -2.367 -4.537 103 2HD2 LEU 13 2HD2 LEU 13 9.989 -2.350 -5.725 104 3HD2 LEU 13 3HD2 LEU 13 11.060 -3.762 -5.605 105 H SER 14 H SER 14 10.419 -1.718 -11.267 106 HA SER 14 HA SER 14 9.987 1.202 -10.713 107 1HB SER 14 1HB SER 14 10.843 1.328 -13.060 108 2HB SER 14 2HB SER 14 12.048 0.935 -11.798 109 HG SER 14 HG SER 14 12.526 -0.740 -12.867 110 H SER 15 H SER 15 7.878 -0.899 -10.728 111 HA SER 15 HA SER 15 6.510 -0.192 -13.221 112 1HB SER 15 1HB SER 15 5.500 -1.648 -10.726 113 2HB SER 15 2HB SER 15 4.620 -1.563 -12.261 114 HG SER 15 HG SER 15 7.019 -2.862 -11.597 115 H MET 16 H MET 16 4.118 0.739 -12.885 116 HA MET 16 HA MET 16 4.477 3.288 -11.508 117 1HB MET 16 1HB MET 16 2.499 1.925 -13.355 118 2HB MET 16 2HB MET 16 1.839 3.182 -12.345 119 1HG MET 16 1HG MET 16 4.387 3.900 -13.678 120 2HG MET 16 2HG MET 16 3.078 3.540 -14.779 121 1HE MET 16 1HE MET 16 2.263 6.766 -11.539 122 2HE MET 16 2HE MET 16 1.642 5.107 -11.445 123 3HE MET 16 3HE MET 16 3.390 5.412 -11.327 124 H VAL 17 H VAL 17 3.758 3.898 -9.521 125 HA VAL 17 HA VAL 17 2.317 1.967 -7.888 126 HB VAL 17 HB VAL 17 3.393 4.729 -7.319 127 1HG1 VAL 17 1HG1 VAL 17 2.998 4.481 -4.994 128 2HG1 VAL 17 2HG1 VAL 17 1.439 4.513 -5.858 129 3HG1 VAL 17 3HG1 VAL 17 2.083 2.982 -5.235 130 1HG2 VAL 17 1HG2 VAL 17 4.848 2.726 -7.597 131 2HG2 VAL 17 2HG2 VAL 17 5.005 3.569 -6.038 132 3HG2 VAL 17 3HG2 VAL 17 4.105 2.029 -6.174 133 H SER 18 H SER 18 0.355 1.953 -7.411 134 HA SER 18 HA SER 18 -1.613 3.219 -9.235 135 1HB SER 18 1HB SER 18 -1.496 0.734 -8.667 136 2HB SER 18 2HB SER 18 -1.983 1.134 -7.037 137 HG SER 18 HG SER 18 -3.829 0.615 -8.163 138 H ASP 19 H ASP 19 -3.557 4.397 -8.508 139 HA ASP 19 HA ASP 19 -2.801 5.987 -6.149 140 1HB ASP 19 1HB ASP 19 -5.197 6.523 -7.898 141 2HB ASP 19 2HB ASP 19 -4.389 7.634 -6.805 142 H ARG 20 H ARG 20 -3.893 3.278 -5.560 143 HA ARG 20 HA ARG 20 -6.343 3.781 -4.004 144 1HB ARG 20 1HB ARG 20 -7.318 1.833 -5.591 145 2HB ARG 20 2HB ARG 20 -7.587 3.550 -5.973 146 1HG ARG 20 1HG ARG 20 -5.590 3.232 -7.641 147 2HG ARG 20 2HG ARG 20 -5.697 1.517 -7.216 148 1HD ARG 20 1HD ARG 20 -6.984 1.640 -9.124 149 2HD ARG 20 2HD ARG 20 -8.207 1.792 -7.844 150 HE ARG 20 HE ARG 20 -7.658 4.371 -8.274 151 1HH1 ARG 20 2HH2 ARG 20 -8.444 1.807 -10.674 152 2HH1 ARG 20 1HH2 ARG 20 -8.900 2.971 -11.873 153 1HH2 ARG 20 2HH1 ARG 20 -8.172 5.833 -10.015 154 2HH2 ARG 20 1HH1 ARG 20 -8.956 5.167 -11.424 155 H PHE 21 H PHE 21 -5.294 2.744 -2.145 156 HA PHE 21 HA PHE 21 -3.590 0.663 -2.252 157 1HB PHE 21 1HB PHE 21 -3.959 1.727 -0.141 158 2HB PHE 21 2HB PHE 21 -5.696 1.470 -0.213 159 HD1 PHE 21 HD1 PHE 21 -6.361 0.064 1.626 160 HD2 PHE 21 HD2 PHE 21 -2.917 -0.912 -0.749 161 HE1 PHE 21 HE1 PHE 21 -6.061 -2.046 2.882 162 HE2 PHE 21 HE2 PHE 21 -2.668 -3.017 0.379 163 HZ PHE 21 HZ PHE 21 -4.225 -3.617 2.291 164 H ALA 22 H ALA 22 -7.117 0.170 -1.672 165 HA ALA 22 HA ALA 22 -6.648 -2.704 -1.955 166 1HB ALA 22 1HB ALA 22 -8.768 -2.996 -0.990 167 2HB ALA 22 2HB ALA 22 -8.076 -1.614 -0.137 168 3HB ALA 22 3HB ALA 22 -9.294 -1.359 -1.429 169 H ARG 23 H ARG 23 -6.487 -0.772 -4.401 170 HA ARG 23 HA ARG 23 -7.909 -2.638 -6.115 171 1HB ARG 23 1HB ARG 23 -8.562 0.198 -5.800 172 2HB ARG 23 2HB ARG 23 -7.957 -0.167 -7.421 173 1HG ARG 23 1HG ARG 23 -10.293 -1.358 -5.983 174 2HG ARG 23 2HG ARG 23 -10.268 -0.318 -7.421 175 1HD ARG 23 1HD ARG 23 -8.661 -2.373 -8.276 176 2HD ARG 23 2HD ARG 23 -9.765 -3.228 -7.202 177 HE ARG 23 HE ARG 23 -10.210 -2.745 -9.799 178 1HH1 ARG 23 2HH2 ARG 23 -12.113 -1.705 -6.971 179 2HH1 ARG 23 1HH2 ARG 23 -13.562 -1.517 -7.898 180 1HH2 ARG 23 2HH1 ARG 23 -12.045 -2.720 -10.884 181 2HH2 ARG 23 1HH1 ARG 23 -13.583 -2.298 -10.139 182 H ALA 24 H ALA 24 -5.207 -2.835 -5.267 183 HA ALA 24 HA ALA 24 -3.816 -1.534 -7.515 184 1HB ALA 24 1HB ALA 24 -2.662 -2.085 -4.760 185 2HB ALA 24 2HB ALA 24 -1.738 -1.488 -6.138 186 3HB ALA 24 3HB ALA 24 -3.028 -0.494 -5.436 187 H GLU 25 H GLU 25 -2.566 -3.016 -8.737 188 HA GLU 25 HA GLU 25 -3.653 -5.675 -8.536 189 1HB GLU 25 1HB GLU 25 -1.999 -4.126 -10.524 190 2HB GLU 25 2HB GLU 25 -2.335 -5.874 -10.759 191 1HG GLU 25 1HG GLU 25 -4.779 -5.342 -10.411 192 2HG GLU 25 2HG GLU 25 -4.378 -3.625 -10.441 193 H TYR 26 H TYR 26 -0.478 -4.321 -7.740 194 HA TYR 26 HA TYR 26 0.324 -7.001 -6.854 195 1HB TYR 26 1HB TYR 26 1.896 -4.930 -8.477 196 2HB TYR 26 2HB TYR 26 2.628 -6.370 -7.730 197 HD1 TYR 26 HD1 TYR 26 2.039 -8.636 -8.657 198 HD2 TYR 26 HD2 TYR 26 0.596 -5.004 -10.447 199 HE1 TYR 26 HE1 TYR 26 1.627 -9.833 -10.782 200 HE2 TYR 26 HE2 TYR 26 0.115 -6.203 -12.562 201 HH TYR 26 HH TYR 26 -0.405 -9.143 -12.888 202 H PHE 27 H PHE 27 1.618 -6.900 -5.007 203 HA PHE 27 HA PHE 27 1.823 -4.249 -3.668 204 1HB PHE 27 1HB PHE 27 0.926 -6.853 -2.404 205 2HB PHE 27 2HB PHE 27 1.429 -5.430 -1.498 206 HD1 PHE 27 HD1 PHE 27 0.175 -3.166 -2.591 207 HD2 PHE 27 HD2 PHE 27 -1.411 -7.165 -2.348 208 HE1 PHE 27 HE1 PHE 27 -2.117 -2.270 -2.608 209 HE2 PHE 27 HE2 PHE 27 -3.694 -6.272 -2.518 210 HZ PHE 27 HZ PHE 27 -4.067 -3.816 -2.647 211 H ILE 28 H ILE 28 3.827 -3.826 -3.133 212 HA ILE 28 HA ILE 28 5.860 -5.979 -3.344 213 HB ILE 28 HB ILE 28 6.156 -2.981 -3.748 214 1HG1 ILE 28 1HG1 ILE 28 4.522 -3.594 -5.393 215 2HG1 ILE 28 2HG1 ILE 28 6.068 -3.326 -6.163 216 1HG2 ILE 28 1HG2 ILE 28 8.253 -3.985 -3.388 217 2HG2 ILE 28 2HG2 ILE 28 7.891 -5.383 -4.437 218 3HG2 ILE 28 3HG2 ILE 28 8.153 -3.779 -5.133 219 1HD1 ILE 28 1HD1 ILE 28 4.799 -5.214 -7.110 220 2HD1 ILE 28 2HD1 ILE 28 6.435 -5.611 -6.582 221 3HD1 ILE 28 3HD1 ILE 28 5.034 -6.095 -5.586 222 H ILE 29 H ILE 29 6.390 -6.656 -1.274 223 HA ILE 29 HA ILE 29 6.039 -4.733 0.948 224 HB ILE 29 HB ILE 29 6.358 -7.740 0.966 225 1HG1 ILE 29 1HG1 ILE 29 4.018 -6.009 1.846 226 2HG1 ILE 29 2HG1 ILE 29 4.135 -6.654 0.221 227 1HG2 ILE 29 1HG2 ILE 29 6.097 -5.753 3.269 228 2HG2 ILE 29 2HG2 ILE 29 5.867 -7.513 3.451 229 3HG2 ILE 29 3HG2 ILE 29 7.431 -6.890 2.985 230 1HD1 ILE 29 1HD1 ILE 29 4.329 -8.978 1.250 231 2HD1 ILE 29 2HD1 ILE 29 3.852 -8.219 2.786 232 3HD1 ILE 29 3HD1 ILE 29 2.765 -8.160 1.395 233 H TYR 30 H TYR 30 7.756 -3.446 1.120 234 HA TYR 30 HA TYR 30 10.505 -4.519 0.791 235 1HB TYR 30 1HB TYR 30 9.684 -2.172 -0.022 236 2HB TYR 30 2HB TYR 30 9.563 -1.746 1.689 237 HD1 TYR 30 HD1 TYR 30 11.909 -2.947 -0.973 238 HD2 TYR 30 HD2 TYR 30 11.554 -1.134 2.915 239 HE1 TYR 30 HE1 TYR 30 14.356 -2.479 -0.977 240 HE2 TYR 30 HE2 TYR 30 14.000 -0.652 2.918 241 HH TYR 30 HH TYR 30 15.796 -0.254 0.903 242 H ASP 31 H ASP 31 11.335 -5.442 2.473 243 HA ASP 31 HA ASP 31 10.462 -5.154 5.265 244 1HB ASP 31 1HB ASP 31 12.050 -6.972 3.602 245 2HB ASP 31 2HB ASP 31 12.888 -6.600 5.094 246 H THR 32 H THR 32 11.297 -3.411 6.590 247 HA THR 32 HA THR 32 13.792 -2.169 5.583 248 HB THR 32 HB THR 32 13.294 -0.388 7.167 249 HG1 THR 32 HG1 THR 32 11.525 -0.396 8.331 250 1HG2 THR 32 1HG2 THR 32 11.278 0.489 6.025 251 2HG2 THR 32 2HG2 THR 32 12.438 -0.193 4.890 252 3HG2 THR 32 3HG2 THR 32 10.972 -1.091 5.319 253 H GLU 33 H GLU 33 13.925 -4.777 6.670 254 HA GLU 33 HA GLU 33 16.126 -4.226 8.591 255 1HB GLU 33 1HB GLU 33 14.442 -6.739 8.420 256 2HB GLU 33 2HB GLU 33 16.169 -6.818 8.757 257 1HG GLU 33 1HG GLU 33 15.679 -5.171 10.682 258 2HG GLU 33 2HG GLU 33 13.988 -5.633 10.446 259 H SER 34 H SER 34 15.382 -6.931 6.402 260 HA SER 34 HA SER 34 18.178 -6.384 5.729 261 1HB SER 34 1HB SER 34 16.182 -8.610 5.122 262 2HB SER 34 2HB SER 34 17.854 -8.735 4.620 263 HG SER 34 HG SER 34 17.296 -9.771 6.546 264 H GLY 35 H GLY 35 16.223 -4.599 4.492 265 1HA GLY 35 1HA GLY 35 15.113 -3.964 2.605 266 2HA GLY 35 2HA GLY 35 16.695 -4.093 1.885 267 H ASN 36 H ASN 36 14.538 -6.735 3.064 268 HA ASN 36 HA ASN 36 14.779 -8.180 0.493 269 1HB ASN 36 1HB ASN 36 12.971 -8.705 2.908 270 2HB ASN 36 2HB ASN 36 13.003 -9.682 1.455 271 1HD2 ASN 36 1HD2 ASN 36 15.421 -10.598 0.955 272 2HD2 ASN 36 2HD2 ASN 36 16.190 -11.185 2.425 273 H VAL 37 H VAL 37 12.920 -8.519 -0.846 274 HA VAL 37 HA VAL 37 10.666 -6.809 -0.367 275 HB VAL 37 HB VAL 37 11.459 -7.062 -3.230 276 1HG1 VAL 37 1HG1 VAL 37 10.326 -4.819 -3.246 277 2HG1 VAL 37 2HG1 VAL 37 9.276 -6.040 -2.523 278 3HG1 VAL 37 3HG1 VAL 37 10.159 -4.907 -1.472 279 1HG2 VAL 37 1HG2 VAL 37 12.710 -4.988 -1.393 280 2HG2 VAL 37 2HG2 VAL 37 13.552 -6.148 -2.429 281 3HG2 VAL 37 3HG2 VAL 37 12.605 -4.848 -3.167 282 H GLU 38 H GLU 38 8.807 -7.668 -1.831 283 HA GLU 38 HA GLU 38 8.880 -10.486 -2.560 284 1HB GLU 38 1HB GLU 38 8.502 -10.553 -0.113 285 2HB GLU 38 2HB GLU 38 7.319 -9.257 -0.221 286 1HG GLU 38 1HG GLU 38 6.130 -11.302 0.086 287 2HG GLU 38 2HG GLU 38 5.834 -10.742 -1.566 288 H VAL 39 H VAL 39 7.134 -10.742 -4.141 289 HA VAL 39 HA VAL 39 5.481 -8.288 -4.652 290 HB VAL 39 HB VAL 39 6.462 -10.271 -6.721 291 1HG1 VAL 39 1HG1 VAL 39 5.342 -8.756 -8.317 292 2HG1 VAL 39 2HG1 VAL 39 4.174 -9.489 -7.237 293 3HG1 VAL 39 3HG1 VAL 39 4.633 -7.812 -6.992 294 1HG2 VAL 39 1HG2 VAL 39 7.466 -8.010 -7.607 295 2HG2 VAL 39 2HG2 VAL 39 7.332 -7.491 -5.912 296 3HG2 VAL 39 3HG2 VAL 39 8.307 -8.905 -6.330 297 H VAL 40 H VAL 40 3.635 -8.726 -3.749 298 HA VAL 40 HA VAL 40 2.229 -11.301 -4.034 299 HB VAL 40 HB VAL 40 1.901 -8.712 -2.541 300 1HG1 VAL 40 1HG1 VAL 40 -0.478 -9.234 -1.974 301 2HG1 VAL 40 2HG1 VAL 40 -0.204 -8.620 -3.620 302 3HG1 VAL 40 3HG1 VAL 40 -0.501 -10.332 -3.373 303 1HG2 VAL 40 1HG2 VAL 40 1.321 -10.210 -0.692 304 2HG2 VAL 40 2HG2 VAL 40 1.334 -11.611 -1.797 305 3HG2 VAL 40 3HG2 VAL 40 2.828 -10.719 -1.466 306 H GLU 41 H GLU 41 0.583 -11.495 -5.460 307 HA GLU 41 HA GLU 41 -0.105 -9.401 -7.443 308 1HB GLU 41 1HB GLU 41 0.860 -11.302 -8.547 309 2HB GLU 41 2HB GLU 41 0.158 -12.421 -7.400 310 1HG GLU 41 1HG GLU 41 -2.148 -11.489 -8.517 311 2HG GLU 41 2HG GLU 41 -1.021 -11.263 -9.854 312 H ASN 42 H ASN 42 -2.300 -8.757 -7.235 313 HA ASN 42 HA ASN 42 -4.224 -10.362 -5.726 314 1HB ASN 42 1HB ASN 42 -2.744 -8.822 -4.109 315 2HB ASN 42 2HB ASN 42 -3.826 -7.567 -4.708 316 1HD2 ASN 42 1HD2 ASN 42 -3.502 -10.248 -2.521 317 2HD2 ASN 42 2HD2 ASN 42 -5.189 -10.402 -2.117 318 H THR 43 H THR 43 -5.887 -10.326 -7.107 319 HA THR 43 HA THR 43 -6.008 -8.108 -9.042 320 HB THR 43 HB THR 43 -6.809 -10.055 -10.480 321 HG1 THR 43 HG1 THR 43 -6.224 -12.115 -9.611 322 1HG2 THR 43 1HG2 THR 43 -4.445 -9.165 -10.430 323 2HG2 THR 43 2HG2 THR 43 -4.051 -10.368 -9.192 324 3HG2 THR 43 3HG2 THR 43 -4.540 -10.895 -10.812 325 H ILE 44 H ILE 44 -7.406 -7.221 -7.026 326 HA ILE 44 HA ILE 44 -10.017 -8.359 -6.758 327 HB ILE 44 HB ILE 44 -10.317 -6.286 -5.342 328 1HG1 ILE 44 1HG1 ILE 44 -8.149 -5.298 -6.521 329 2HG1 ILE 44 2HG1 ILE 44 -8.781 -4.769 -4.995 330 1HG2 ILE 44 1HG2 ILE 44 -9.774 -8.478 -4.452 331 2HG2 ILE 44 2HG2 ILE 44 -8.063 -8.129 -4.799 332 3HG2 ILE 44 3HG2 ILE 44 -8.916 -7.183 -3.554 333 1HD1 ILE 44 1HD1 ILE 44 -6.926 -6.023 -3.867 334 2HD1 ILE 44 2HD1 ILE 44 -6.395 -6.614 -5.464 335 3HD1 ILE 44 3HD1 ILE 44 -6.303 -4.898 -5.090 336 H ALA 45 H ALA 45 -11.279 -8.228 -8.624 337 HA ALA 45 HA ALA 45 -11.810 -5.462 -9.685 338 1HB ALA 45 1HB ALA 45 -10.416 -6.846 -11.192 339 2HB ALA 45 2HB ALA 45 -11.714 -8.075 -11.203 340 3HB ALA 45 3HB ALA 45 -12.014 -6.461 -11.869 341 H ASP 46 H ASP 46 -13.363 -6.437 -7.557 342 HA ASP 46 HA ASP 46 -16.037 -6.569 -8.656 343 1HB ASP 46 1HB ASP 46 -15.920 -8.846 -8.950 344 2HB ASP 46 2HB ASP 46 -14.608 -9.063 -7.798 345 H ALA 47 H ALA 47 -17.582 -6.092 -6.955 346 HA ALA 47 HA ALA 47 -16.219 -4.779 -4.655 347 1HB ALA 47 1HB ALA 47 -18.870 -4.160 -6.027 348 2HB ALA 47 2HB ALA 47 -18.060 -3.182 -4.799 349 3HB ALA 47 3HB ALA 47 -17.327 -3.362 -6.399 350 H HIS 48 H HIS 48 -17.022 -7.609 -4.385 351 HA HIS 48 HA HIS 48 -19.185 -7.338 -2.333 352 1HB HIS 48 1HB HIS 48 -18.746 -9.547 -4.362 353 2HB HIS 48 2HB HIS 48 -19.987 -9.524 -3.091 354 HD1 HIS 48 HD1 HIS 48 -19.326 -8.355 -6.577 355 HD2 HIS 48 HD2 HIS 48 -21.897 -7.485 -3.355 356 HE1 HIS 48 HE1 HIS 48 -21.246 -6.950 -7.532 357 H GLY 49 H GLY 49 -17.457 -7.031 -0.814 358 1HA GLY 49 1HA GLY 49 -15.756 -9.410 -0.203 359 2HA GLY 49 2HA GLY 49 -15.208 -7.735 -0.156 360 H THR 50 H THR 50 -16.870 -10.220 1.552 361 HA THR 50 HA THR 50 -17.865 -8.535 3.721 362 HB THR 50 HB THR 50 -18.977 -10.582 2.895 363 HG1 THR 50 HG1 THR 50 -19.438 -9.930 4.955 364 1HG2 THR 50 1HG2 THR 50 -16.875 -11.970 2.517 365 2HG2 THR 50 2HG2 THR 50 -16.770 -12.147 4.275 366 3HG2 THR 50 3HG2 THR 50 -18.165 -12.790 3.390 367 H GLY 51 H GLY 51 -14.759 -9.805 2.905 368 1HA GLY 51 1HA GLY 51 -13.721 -8.893 5.499 369 2HA GLY 51 2HA GLY 51 -13.305 -10.536 4.968 370 HA PRO 52 HA PRO 52 -10.867 -6.803 3.242 371 1HB PRO 52 1HB PRO 52 -8.436 -7.218 4.304 372 2HB PRO 52 2HB PRO 52 -9.738 -6.373 5.227 373 1HG PRO 52 1HG PRO 52 -8.788 -9.251 5.381 374 2HG PRO 52 2HG PRO 52 -9.185 -8.195 6.757 375 1HD PRO 52 1HD PRO 52 -10.968 -10.024 5.812 376 2HD PRO 52 2HD PRO 52 -11.514 -8.429 6.394 377 H LYS 53 H LYS 53 -9.604 -10.105 3.497 378 HA LYS 53 HA LYS 53 -8.553 -11.436 2.019 379 1HB LYS 53 1HB LYS 53 -10.544 -11.086 0.865 380 2HB LYS 53 2HB LYS 53 -10.056 -9.496 0.297 381 1HG LYS 53 1HG LYS 53 -8.461 -10.432 -1.231 382 2HG LYS 53 2HG LYS 53 -8.885 -12.085 -0.695 383 1HD LYS 53 1HD LYS 53 -10.117 -11.509 -2.713 384 2HD LYS 53 2HD LYS 53 -11.234 -11.689 -1.366 385 1HE LYS 53 1HE LYS 53 -11.439 -9.226 -1.128 386 2HE LYS 53 2HE LYS 53 -10.178 -8.997 -2.340 387 1HZ LYS 53 1HZ LYS 53 -11.584 -10.091 -3.988 388 2HZ LYS 53 2HZ LYS 53 -12.767 -10.333 -2.893 389 3HZ LYS 53 3HZ LYS 53 -12.404 -8.814 -3.373 390 H VAL 54 H VAL 54 -7.919 -8.207 0.590 391 HA VAL 54 HA VAL 54 -5.193 -8.765 -0.148 392 HB VAL 54 HB VAL 54 -5.818 -7.029 -1.376 393 1HG1 VAL 54 1HG1 VAL 54 -7.613 -5.850 0.749 394 2HG1 VAL 54 2HG1 VAL 54 -7.350 -5.202 -0.879 395 3HG1 VAL 54 3HG1 VAL 54 -8.097 -6.777 -0.707 396 1HG2 VAL 54 1HG2 VAL 54 -5.110 -5.300 1.004 397 2HG2 VAL 54 2HG2 VAL 54 -3.931 -6.130 -0.034 398 3HG2 VAL 54 3HG2 VAL 54 -4.997 -4.880 -0.700 399 H VAL 55 H VAL 55 -6.607 -6.776 2.455 400 HA VAL 55 HA VAL 55 -4.223 -6.413 4.009 401 HB VAL 55 HB VAL 55 -6.888 -6.392 5.358 402 1HG1 VAL 55 1HG1 VAL 55 -6.181 -4.244 6.158 403 2HG1 VAL 55 2HG1 VAL 55 -4.991 -5.501 6.509 404 3HG1 VAL 55 3HG1 VAL 55 -4.686 -4.343 5.191 405 1HG2 VAL 55 1HG2 VAL 55 -6.224 -4.424 3.104 406 2HG2 VAL 55 2HG2 VAL 55 -7.625 -5.504 3.142 407 3HG2 VAL 55 3HG2 VAL 55 -7.508 -4.186 4.305 408 H GLN 56 H GLN 56 -6.678 -9.010 4.337 409 HA GLN 56 HA GLN 56 -5.542 -10.281 6.495 410 1HB GLN 56 1HB GLN 56 -7.194 -11.077 4.187 411 2HB GLN 56 2HB GLN 56 -6.210 -12.402 4.789 412 1HG GLN 56 1HG GLN 56 -7.854 -10.689 6.684 413 2HG GLN 56 2HG GLN 56 -8.560 -12.055 5.807 414 1HE2 GLN 56 1HE2 GLN 56 -8.988 -13.158 7.931 415 2HE2 GLN 56 2HE2 GLN 56 -7.599 -13.943 8.667 416 H SER 57 H SER 57 -4.481 -10.709 3.040 417 HA SER 57 HA SER 57 -2.371 -12.482 3.733 418 1HB SER 57 1HB SER 57 -3.546 -12.120 1.464 419 2HB SER 57 2HB SER 57 -2.560 -10.659 1.287 420 HG SER 57 HG SER 57 -1.619 -13.332 1.549 421 H LEU 58 H LEU 58 -2.377 -8.940 3.150 422 HA LEU 58 HA LEU 58 0.501 -8.710 3.237 423 1HB LEU 58 1HB LEU 58 -1.654 -6.637 3.813 424 2HB LEU 58 2HB LEU 58 0.050 -6.290 3.543 425 HG LEU 58 HG LEU 58 -1.786 -7.567 1.457 426 1HD1 LEU 58 1HD1 LEU 58 -0.767 -4.747 1.818 427 2HD1 LEU 58 2HD1 LEU 58 -1.655 -5.335 0.383 428 3HD1 LEU 58 3HD1 LEU 58 -2.447 -5.284 1.972 429 1HD2 LEU 58 1HD2 LEU 58 1.058 -6.521 1.218 430 2HD2 LEU 58 2HD2 LEU 58 0.520 -8.211 1.066 431 3HD2 LEU 58 3HD2 LEU 58 0.009 -7.037 -0.129 432 H VAL 59 H VAL 59 -2.031 -8.340 5.691 433 HA VAL 59 HA VAL 59 -0.390 -7.732 7.933 434 HB VAL 59 HB VAL 59 -3.135 -8.850 7.358 435 1HG1 VAL 59 1HG1 VAL 59 -1.938 -8.452 10.120 436 2HG1 VAL 59 2HG1 VAL 59 -3.677 -8.554 9.822 437 3HG1 VAL 59 3HG1 VAL 59 -2.645 -9.948 9.466 438 1HG2 VAL 59 1HG2 VAL 59 -2.157 -6.278 8.694 439 2HG2 VAL 59 2HG2 VAL 59 -2.722 -6.426 7.025 440 3HG2 VAL 59 3HG2 VAL 59 -3.854 -6.687 8.358 441 H SER 60 H SER 60 -1.291 -10.893 6.366 442 HA SER 60 HA SER 60 0.009 -12.439 8.345 443 1HB SER 60 1HB SER 60 -0.752 -12.957 5.451 444 2HB SER 60 2HB SER 60 0.178 -14.135 6.369 445 HG SER 60 HG SER 60 -1.420 -14.225 7.882 446 H LYS 61 H LYS 61 1.408 -10.342 5.943 447 HA LYS 61 HA LYS 61 4.112 -11.587 6.393 448 1HB LYS 61 1HB LYS 61 2.990 -9.686 4.298 449 2HB LYS 61 2HB LYS 61 4.715 -9.948 4.510 450 1HG LYS 61 1HG LYS 61 4.736 -11.746 3.313 451 2HG LYS 61 2HG LYS 61 3.506 -12.544 4.292 452 1HD LYS 61 1HD LYS 61 1.848 -12.181 2.777 453 2HD LYS 61 2HD LYS 61 2.412 -10.568 2.357 454 1HE LYS 61 1HE LYS 61 2.623 -12.031 0.426 455 2HE LYS 61 2HE LYS 61 4.206 -11.473 0.964 456 1HZ LYS 61 1HZ LYS 61 3.053 -14.143 1.519 457 2HZ LYS 61 2HZ LYS 61 4.200 -13.783 0.392 458 3HZ LYS 61 3HZ LYS 61 4.527 -13.647 2.018 459 H GLY 62 H GLY 62 2.601 -10.163 8.460 460 1HA GLY 62 1HA GLY 62 2.863 -8.502 9.997 461 2HA GLY 62 2HA GLY 62 4.583 -8.775 9.699 462 H VAL 63 H VAL 63 2.307 -7.338 7.296 463 HA VAL 63 HA VAL 63 4.080 -5.067 6.949 464 HB VAL 63 HB VAL 63 1.375 -5.815 5.803 465 1HG1 VAL 63 1HG1 VAL 63 3.215 -3.641 4.731 466 2HG1 VAL 63 2HG1 VAL 63 1.539 -4.053 4.265 467 3HG1 VAL 63 3HG1 VAL 63 1.876 -3.306 5.822 468 1HG2 VAL 63 1HG2 VAL 63 3.365 -7.216 5.084 469 2HG2 VAL 63 2HG2 VAL 63 2.586 -6.314 3.776 470 3HG2 VAL 63 3HG2 VAL 63 4.111 -5.721 4.481 471 H GLU 64 H GLU 64 4.136 -3.636 8.661 472 HA GLU 64 HA GLU 64 1.490 -2.705 9.738 473 1HB GLU 64 1HB GLU 64 4.161 -1.963 10.913 474 2HB GLU 64 2HB GLU 64 2.570 -2.065 11.673 475 1HG GLU 64 1HG GLU 64 2.823 -4.644 11.339 476 2HG GLU 64 2HG GLU 64 4.511 -4.283 10.964 477 H TYR 65 H TYR 65 2.545 -1.831 7.043 478 HA TYR 65 HA TYR 65 2.840 1.045 7.398 479 1HB TYR 65 1HB TYR 65 5.112 -0.790 7.428 480 2HB TYR 65 2HB TYR 65 5.286 0.098 6.143 481 HD1 TYR 65 HD1 TYR 65 5.194 0.055 9.773 482 HD2 TYR 65 HD2 TYR 65 5.705 2.671 6.385 483 HE1 TYR 65 HE1 TYR 65 6.091 1.736 11.252 484 HE2 TYR 65 HE2 TYR 65 6.698 4.393 7.893 485 HH TYR 65 HH TYR 65 7.508 4.846 10.156 486 H LEU 66 H LEU 66 2.771 2.110 5.273 487 HA LEU 66 HA LEU 66 2.379 0.518 2.838 488 1HB LEU 66 1HB LEU 66 0.306 0.029 3.950 489 2HB LEU 66 2HB LEU 66 0.164 1.659 4.565 490 HG LEU 66 HG LEU 66 -0.221 2.493 2.366 491 1HD1 LEU 66 1HD1 LEU 66 -1.091 0.700 0.644 492 2HD1 LEU 66 2HD1 LEU 66 0.611 1.099 0.663 493 3HD1 LEU 66 3HD1 LEU 66 0.014 -0.370 1.488 494 1HD2 LEU 66 1HD2 LEU 66 -2.554 1.733 2.206 495 2HD2 LEU 66 2HD2 LEU 66 -2.127 0.190 2.980 496 3HD2 LEU 66 3HD2 LEU 66 -2.094 1.677 3.916 497 H ILE 67 H ILE 67 2.383 1.875 1.006 498 HA ILE 67 HA ILE 67 2.487 4.818 1.381 499 HB ILE 67 HB ILE 67 4.182 3.029 -0.455 500 1HG1 ILE 67 1HG1 ILE 67 5.195 5.155 1.523 501 2HG1 ILE 67 2HG1 ILE 67 4.830 3.571 2.143 502 1HG2 ILE 67 1HG2 ILE 67 3.722 4.991 -1.741 503 2HG2 ILE 67 2HG2 ILE 67 3.803 6.069 -0.317 504 3HG2 ILE 67 3HG2 ILE 67 5.273 5.359 -0.972 505 1HD1 ILE 67 1HD1 ILE 67 6.431 2.464 0.768 506 2HD1 ILE 67 2HD1 ILE 67 6.819 3.956 -0.095 507 3HD1 ILE 67 3HD1 ILE 67 7.213 3.795 1.626 508 H ALA 68 H ALA 68 0.448 5.361 0.568 509 HA ALA 68 HA ALA 68 -0.369 4.290 -2.046 510 1HB ALA 68 1HB ALA 68 -1.782 3.395 0.494 511 2HB ALA 68 2HB ALA 68 -2.412 3.205 -1.156 512 3HB ALA 68 3HB ALA 68 -0.911 2.379 -0.683 513 H SER 69 H SER 69 -0.818 6.362 -2.579 514 HA SER 69 HA SER 69 -1.576 8.622 -1.434 515 1HB SER 69 1HB SER 69 -2.518 9.258 -3.711 516 2HB SER 69 2HB SER 69 -1.096 8.276 -3.821 517 HG SER 69 HG SER 69 -1.992 6.590 -4.353 518 H ASN 70 H ASN 70 -4.001 6.093 -1.724 519 HA ASN 70 HA ASN 70 -5.842 7.408 -0.041 520 1HB ASN 70 1HB ASN 70 -6.268 8.202 -2.685 521 2HB ASN 70 2HB ASN 70 -7.108 6.687 -2.724 522 1HD2 ASN 70 1HD2 ASN 70 -7.771 9.917 -2.312 523 2HD2 ASN 70 2HD2 ASN 70 -9.151 9.744 -1.246 524 H VAL 71 H VAL 71 -8.031 5.773 -0.450 525 HA VAL 71 HA VAL 71 -6.976 3.029 -0.728 526 HB VAL 71 HB VAL 71 -7.383 4.010 1.602 527 1HG1 VAL 71 1HG1 VAL 71 -9.605 3.926 2.508 528 2HG1 VAL 71 2HG1 VAL 71 -9.573 5.092 1.169 529 3HG1 VAL 71 3HG1 VAL 71 -10.261 3.483 0.932 530 1HG2 VAL 71 1HG2 VAL 71 -8.875 1.722 2.032 531 2HG2 VAL 71 2HG2 VAL 71 -7.932 1.388 0.566 532 3HG2 VAL 71 3HG2 VAL 71 -7.113 1.950 2.051 533 H GLY 72 H GLY 72 -8.579 1.477 -1.444 534 1HA GLY 72 1HA GLY 72 -10.139 2.253 -3.713 535 2HA GLY 72 2HA GLY 72 -10.155 0.692 -2.904 536 H ARG 73 H ARG 73 -10.876 1.826 -0.382 537 HA ARG 73 HA ARG 73 -12.493 3.554 0.484 538 1HB ARG 73 1HB ARG 73 -14.312 1.810 -1.127 539 2HB ARG 73 2HB ARG 73 -14.899 2.616 0.333 540 1HG ARG 73 1HG ARG 73 -14.347 4.807 -0.462 541 2HG ARG 73 2HG ARG 73 -13.574 4.190 -1.905 542 1HD ARG 73 1HD ARG 73 -16.509 3.673 -1.311 543 2HD ARG 73 2HD ARG 73 -15.928 5.124 -2.125 544 HE ARG 73 HE ARG 73 -15.125 3.920 -3.942 545 1HH1 ARG 73 2HH2 ARG 73 -17.221 1.921 -1.926 546 2HH1 ARG 73 1HH2 ARG 73 -16.921 0.450 -2.802 547 1HH2 ARG 73 2HH1 ARG 73 -14.996 2.097 -5.299 548 2HH2 ARG 73 1HH1 ARG 73 -15.616 0.555 -4.823 549 H ASN 74 H ASN 74 -14.308 0.578 0.892 550 HA ASN 74 HA ASN 74 -13.519 0.228 3.592 551 1HB ASN 74 1HB ASN 74 -15.553 -0.758 2.786 552 2HB ASN 74 2HB ASN 74 -14.694 -1.731 1.587 553 1HD2 ASN 74 1HD2 ASN 74 -15.551 -1.423 5.004 554 2HD2 ASN 74 2HD2 ASN 74 -15.186 -3.106 5.358 555 H ALA 75 H ALA 75 -11.693 -0.384 4.372 556 HA ALA 75 HA ALA 75 -10.219 -2.528 4.385 557 1HB ALA 75 1HB ALA 75 -8.855 -0.888 2.222 558 2HB ALA 75 2HB ALA 75 -8.236 -2.333 3.015 559 3HB ALA 75 3HB ALA 75 -9.630 -2.492 1.968 560 H PHE 76 H PHE 76 -9.961 1.040 4.141 561 HA PHE 76 HA PHE 76 -7.519 1.471 5.482 562 1HB PHE 76 1HB PHE 76 -8.519 3.283 4.428 563 2HB PHE 76 2HB PHE 76 -10.081 3.008 5.175 564 HD1 PHE 76 HD1 PHE 76 -10.691 4.146 7.193 565 HD2 PHE 76 HD2 PHE 76 -6.598 4.328 5.794 566 HE1 PHE 76 HE1 PHE 76 -10.258 6.064 8.685 567 HE2 PHE 76 HE2 PHE 76 -6.184 6.252 7.293 568 HZ PHE 76 HZ PHE 76 -8.016 7.126 8.754 569 H GLU 77 H GLU 77 -10.651 0.706 6.799 570 HA GLU 77 HA GLU 77 -10.168 1.190 9.561 571 1HB GLU 77 1HB GLU 77 -12.085 -0.637 8.065 572 2HB GLU 77 2HB GLU 77 -12.202 -0.232 9.788 573 1HG GLU 77 1HG GLU 77 -12.809 1.981 9.379 574 2HG GLU 77 2HG GLU 77 -12.109 2.036 7.767 575 H THR 78 H THR 78 -9.463 -1.508 7.394 576 HA THR 78 HA THR 78 -8.843 -3.359 9.570 577 HB THR 78 HB THR 78 -8.809 -3.745 6.539 578 HG1 THR 78 HG1 THR 78 -10.919 -4.189 6.673 579 1HG2 THR 78 1HG2 THR 78 -9.412 -6.127 7.371 580 2HG2 THR 78 2HG2 THR 78 -7.721 -5.614 7.525 581 3HG2 THR 78 3HG2 THR 78 -8.778 -5.605 8.932 582 H LEU 79 H LEU 79 -7.256 -1.035 7.599 583 HA LEU 79 HA LEU 79 -4.570 -2.250 7.760 584 1HB LEU 79 1HB LEU 79 -5.529 0.609 7.238 585 2HB LEU 79 2HB LEU 79 -3.840 0.166 7.311 586 HG LEU 79 HG LEU 79 -5.690 -1.240 5.349 587 1HD1 LEU 79 1HD1 LEU 79 -5.850 0.951 4.476 588 2HD1 LEU 79 2HD1 LEU 79 -4.191 1.368 4.955 589 3HD1 LEU 79 3HD1 LEU 79 -4.510 0.278 3.598 590 1HD2 LEU 79 1HD2 LEU 79 -2.682 -0.814 5.314 591 2HD2 LEU 79 2HD2 LEU 79 -3.462 -2.287 5.917 592 3HD2 LEU 79 3HD2 LEU 79 -3.624 -1.834 4.228 593 H LYS 80 H LYS 80 -5.972 0.622 9.448 594 HA LYS 80 HA LYS 80 -4.231 0.637 11.562 595 1HB LYS 80 1HB LYS 80 -6.144 1.732 12.766 596 2HB LYS 80 2HB LYS 80 -5.532 2.451 11.293 597 1HG LYS 80 1HG LYS 80 -7.653 0.975 10.310 598 2HG LYS 80 2HG LYS 80 -8.230 1.262 11.921 599 1HD LYS 80 1HD LYS 80 -9.019 2.901 10.218 600 2HD LYS 80 2HD LYS 80 -8.197 3.667 11.572 601 1HE LYS 80 1HE LYS 80 -6.485 2.882 9.232 602 2HE LYS 80 2HE LYS 80 -7.713 4.094 8.903 603 1HZ LYS 80 1HZ LYS 80 -5.760 4.351 11.109 604 2HZ LYS 80 2HZ LYS 80 -5.561 5.046 9.661 605 3HZ LYS 80 3HZ LYS 80 -6.847 5.481 10.636 606 H ALA 81 H ALA 81 -7.040 -1.483 11.281 607 HA ALA 81 HA ALA 81 -7.225 -2.463 13.881 608 1HB ALA 81 1HB ALA 81 -8.705 -3.240 12.100 609 2HB ALA 81 2HB ALA 81 -7.335 -4.013 11.257 610 3HB ALA 81 3HB ALA 81 -7.858 -4.628 12.818 611 H ALA 82 H ALA 82 -4.570 -3.022 11.566 612 HA ALA 82 HA ALA 82 -3.213 -4.835 13.522 613 1HB ALA 82 1HB ALA 82 -1.954 -5.500 11.387 614 2HB ALA 82 2HB ALA 82 -3.667 -5.932 11.409 615 3HB ALA 82 3HB ALA 82 -3.130 -4.518 10.481 616 H GLY 83 H GLY 83 -3.293 -1.870 13.738 617 1HA GLY 83 1HA GLY 83 -1.888 -0.240 14.299 618 2HA GLY 83 2HA GLY 83 -0.565 -1.412 14.374 619 H VAL 84 H VAL 84 -2.188 -0.959 11.295 620 HA VAL 84 HA VAL 84 0.393 -0.595 10.217 621 HB VAL 84 HB VAL 84 -2.338 -0.625 8.899 622 1HG1 VAL 84 1HG1 VAL 84 -0.449 0.009 7.337 623 2HG1 VAL 84 2HG1 VAL 84 0.241 -1.609 7.660 624 3HG1 VAL 84 3HG1 VAL 84 -1.351 -1.455 6.947 625 1HG2 VAL 84 1HG2 VAL 84 -2.002 -2.596 10.333 626 2HG2 VAL 84 2HG2 VAL 84 -2.055 -3.052 8.631 627 3HG2 VAL 84 3HG2 VAL 84 -0.518 -2.993 9.517 628 H LYS 85 H LYS 85 1.499 1.120 9.710 629 HA LYS 85 HA LYS 85 0.238 3.717 9.743 630 1HB LYS 85 1HB LYS 85 2.833 2.810 10.265 631 2HB LYS 85 2HB LYS 85 3.030 3.591 8.694 632 1HG LYS 85 1HG LYS 85 1.952 5.663 9.630 633 2HG LYS 85 2HG LYS 85 1.749 4.824 11.165 634 1HD LYS 85 1HD LYS 85 4.394 4.519 10.998 635 2HD LYS 85 2HD LYS 85 4.260 5.918 9.902 636 1HE LYS 85 1HE LYS 85 2.674 6.732 11.971 637 2HE LYS 85 2HE LYS 85 3.734 5.651 12.861 638 1HZ LYS 85 1HZ LYS 85 4.454 7.912 12.891 639 2HZ LYS 85 2HZ LYS 85 5.613 7.045 12.100 640 3HZ LYS 85 3HZ LYS 85 4.530 8.040 11.295 641 H VAL 86 H VAL 86 0.638 5.229 7.730 642 HA VAL 86 HA VAL 86 0.359 3.842 5.156 643 HB VAL 86 HB VAL 86 -2.033 5.471 6.159 644 1HG1 VAL 86 1HG1 VAL 86 -1.459 3.800 3.722 645 2HG1 VAL 86 2HG1 VAL 86 -3.082 4.391 4.183 646 3HG1 VAL 86 3HG1 VAL 86 -1.756 5.522 3.877 647 1HG2 VAL 86 1HG2 VAL 86 -1.735 2.404 6.058 648 2HG2 VAL 86 2HG2 VAL 86 -2.025 3.362 7.506 649 3HG2 VAL 86 3HG2 VAL 86 -3.273 3.270 6.265 650 H TYR 87 H TYR 87 1.110 5.254 3.601 651 HA TYR 87 HA TYR 87 1.305 8.103 4.323 652 1HB TYR 87 1HB TYR 87 3.134 6.163 2.905 653 2HB TYR 87 2HB TYR 87 3.231 7.816 2.478 654 HD1 TYR 87 HD1 TYR 87 3.329 5.497 5.452 655 HD2 TYR 87 HD2 TYR 87 4.367 9.356 3.869 656 HE1 TYR 87 HE1 TYR 87 4.791 5.931 7.413 657 HE2 TYR 87 HE2 TYR 87 5.755 9.845 5.699 658 HH TYR 87 HH TYR 87 6.911 8.745 7.694 659 H ARG 88 H ARG 88 1.261 9.598 2.644 660 HA ARG 88 HA ARG 88 -0.492 8.942 0.338 661 1HB ARG 88 1HB ARG 88 -0.574 11.216 1.631 662 2HB ARG 88 2HB ARG 88 1.023 11.521 0.945 663 1HG ARG 88 1HG ARG 88 -0.282 12.591 -0.661 664 2HG ARG 88 2HG ARG 88 -0.190 11.017 -1.355 665 1HD ARG 88 1HD ARG 88 -2.446 11.308 -1.486 666 2HD ARG 88 2HD ARG 88 -2.334 10.487 0.090 667 HE ARG 88 HE ARG 88 -2.130 13.199 0.630 668 1HH1 ARG 88 2HH2 ARG 88 -4.502 11.067 -0.982 669 2HH1 ARG 88 1HH2 ARG 88 -5.881 12.068 -0.626 670 1HH2 ARG 88 2HH1 ARG 88 -3.982 14.464 1.174 671 2HH2 ARG 88 1HH1 ARG 88 -5.546 14.136 0.471 672 H PHE 89 H PHE 89 0.479 8.980 -1.786 673 HA PHE 89 HA PHE 89 3.190 9.967 -2.029 674 1HB PHE 89 1HB PHE 89 4.155 8.091 -2.740 675 2HB PHE 89 2HB PHE 89 2.730 7.184 -2.342 676 HD1 PHE 89 HD1 PHE 89 4.947 7.277 -5.033 677 HD2 PHE 89 HD2 PHE 89 0.742 7.720 -4.209 678 HE1 PHE 89 HE1 PHE 89 4.457 6.788 -7.240 679 HE2 PHE 89 HE2 PHE 89 0.231 7.225 -6.594 680 HZ PHE 89 HZ PHE 89 2.113 6.797 -8.160 681 H GLU 90 H GLU 90 3.404 10.772 -4.433 682 HA GLU 90 HA GLU 90 0.875 10.564 -5.859 683 1HB GLU 90 1HB GLU 90 0.792 12.851 -4.709 684 2HB GLU 90 2HB GLU 90 2.162 13.324 -5.718 685 1HG GLU 90 1HG GLU 90 0.394 12.121 -7.554 686 2HG GLU 90 2HG GLU 90 -0.697 12.904 -6.437 687 H GLY 91 H GLY 91 1.517 9.591 -7.650 688 1HA GLY 91 1HA GLY 91 2.357 9.254 -9.661 689 2HA GLY 91 2HA GLY 91 2.767 10.978 -9.677 690 H GLY 92 H GLY 92 3.891 7.687 -9.279 691 1HA GLY 92 1HA GLY 92 6.648 8.224 -9.855 692 2HA GLY 92 2HA GLY 92 6.318 7.918 -8.133 693 H THR 93 H THR 93 7.839 6.063 -9.739 694 HA THR 93 HA THR 93 6.111 3.777 -10.156 695 HB THR 93 HB THR 93 8.353 2.699 -10.490 696 HG1 THR 93 HG1 THR 93 10.171 4.011 -10.414 697 1HG2 THR 93 1HG2 THR 93 8.871 3.775 -12.609 698 2HG2 THR 93 2HG2 THR 93 7.104 3.697 -12.396 699 3HG2 THR 93 3HG2 THR 93 7.972 5.233 -12.146 700 H VAL 94 H VAL 94 6.954 1.698 -8.950 701 HA VAL 94 HA VAL 94 6.578 1.858 -6.241 702 HB VAL 94 HB VAL 94 8.145 -0.225 -7.773 703 1HG1 VAL 94 1HG1 VAL 94 7.704 -1.700 -5.879 704 2HG1 VAL 94 2HG1 VAL 94 8.722 -0.350 -5.380 705 3HG1 VAL 94 3HG1 VAL 94 6.997 -0.351 -4.959 706 1HG2 VAL 94 1HG2 VAL 94 5.272 -0.164 -6.808 707 2HG2 VAL 94 2HG2 VAL 94 5.790 0.047 -8.489 708 3HG2 VAL 94 3HG2 VAL 94 6.085 -1.489 -7.688 709 H GLN 95 H GLN 95 9.903 2.023 -7.759 710 HA GLN 95 HA GLN 95 11.108 2.428 -5.295 711 1HB GLN 95 1HB GLN 95 12.353 2.078 -7.450 712 2HB GLN 95 2HB GLN 95 12.070 3.785 -7.839 713 1HG GLN 95 1HG GLN 95 13.334 4.535 -5.938 714 2HG GLN 95 2HG GLN 95 13.367 2.928 -5.209 715 1HE2 GLN 95 1HE2 GLN 95 15.578 4.716 -5.712 716 2HE2 GLN 95 2HE2 GLN 95 16.700 3.864 -6.790 717 H GLU 96 H GLU 96 9.307 4.923 -7.005 718 HA GLU 96 HA GLU 96 10.597 7.212 -5.793 719 1HB GLU 96 1HB GLU 96 7.981 6.647 -7.206 720 2HB GLU 96 2HB GLU 96 8.449 8.288 -6.745 721 1HG GLU 96 1HG GLU 96 10.124 6.543 -8.617 722 2HG GLU 96 2HG GLU 96 8.763 7.525 -9.162 723 H ALA 97 H ALA 97 7.578 5.242 -5.277 724 HA ALA 97 HA ALA 97 6.629 6.569 -3.027 725 1HB ALA 97 1HB ALA 97 6.631 3.745 -4.058 726 2HB ALA 97 2HB ALA 97 6.107 3.985 -2.404 727 3HB ALA 97 3HB ALA 97 5.273 4.828 -3.731 728 H ILE 98 H ILE 98 9.556 4.548 -3.249 729 HA ILE 98 HA ILE 98 9.780 4.291 -0.333 730 HB ILE 98 HB ILE 98 11.914 3.508 -2.375 731 1HG1 ILE 98 1HG1 ILE 98 10.073 2.739 -3.349 732 2HG1 ILE 98 2HG1 ILE 98 10.941 1.343 -2.696 733 1HG2 ILE 98 1HG2 ILE 98 12.549 3.253 -0.037 734 2HG2 ILE 98 2HG2 ILE 98 11.034 2.385 0.343 735 3HG2 ILE 98 3HG2 ILE 98 12.265 1.642 -0.704 736 1HD1 ILE 98 1HD1 ILE 98 8.354 2.556 -1.578 737 2HD1 ILE 98 2HD1 ILE 98 8.569 1.008 -2.422 738 3HD1 ILE 98 3HD1 ILE 98 9.296 1.262 -0.812 739 H ASP 99 H ASP 99 11.674 5.622 -3.043 740 HA ASP 99 HA ASP 99 13.772 6.853 -1.570 741 1HB ASP 99 1HB ASP 99 12.833 6.752 -4.375 742 2HB ASP 99 2HB ASP 99 13.496 8.311 -3.936 743 H ALA 100 H ALA 100 10.448 7.817 -2.328 744 HA ALA 100 HA ALA 100 10.900 10.566 -1.426 745 1HB ALA 100 1HB ALA 100 8.314 9.021 -1.970 746 2HB ALA 100 2HB ALA 100 8.469 10.785 -1.751 747 3HB ALA 100 3HB ALA 100 9.198 9.978 -3.161 748 H PHE 101 H PHE 101 9.096 7.678 -0.181 749 HA PHE 101 HA PHE 101 8.388 8.732 2.300 750 1HB PHE 101 1HB PHE 101 7.364 6.731 1.785 751 2HB PHE 101 2HB PHE 101 8.866 5.979 1.222 752 HD1 PHE 101 HD1 PHE 101 7.384 7.260 4.433 753 HD2 PHE 101 HD2 PHE 101 9.941 4.370 2.478 754 HE1 PHE 101 HE1 PHE 101 7.617 6.002 6.559 755 HE2 PHE 101 HE2 PHE 101 10.046 3.046 4.574 756 HZ PHE 101 HZ PHE 101 8.844 3.831 6.589 757 H SER 102 H SER 102 11.326 6.909 1.472 758 HA SER 102 HA SER 102 12.157 6.488 4.162 759 1HB SER 102 1HB SER 102 14.265 5.734 3.140 760 2HB SER 102 2HB SER 102 12.826 5.088 2.313 761 HG SER 102 HG SER 102 13.128 6.404 0.635 762 H GLU 103 H GLU 103 13.111 8.927 1.708 763 HA GLU 103 HA GLU 103 14.673 10.391 3.731 764 1HB GLU 103 1HB GLU 103 14.072 11.075 0.844 765 2HB GLU 103 2HB GLU 103 15.407 11.676 1.862 766 1HG GLU 103 1HG GLU 103 15.812 8.873 1.836 767 2HG GLU 103 2HG GLU 103 15.151 9.178 0.256 768 H GLY 104 H GLY 104 11.899 10.000 4.157 769 1HA GLY 104 1HA GLY 104 10.175 11.022 5.056 770 2HA GLY 104 2HA GLY 104 11.312 12.336 5.439 771 H ARG 105 H ARG 105 10.527 11.724 2.018 772 HA ARG 105 HA ARG 105 9.212 14.388 1.964 773 1HB ARG 105 1HB ARG 105 10.012 12.460 -0.281 774 2HB ARG 105 2HB ARG 105 9.375 14.079 -0.485 775 1HG ARG 105 1HG ARG 105 11.375 14.981 0.700 776 2HG ARG 105 2HG ARG 105 12.087 13.358 0.638 777 1HD ARG 105 1HD ARG 105 12.502 13.465 -1.608 778 2HD ARG 105 2HD ARG 105 10.998 14.285 -1.982 779 HE ARG 105 HE ARG 105 13.579 15.469 -1.478 780 1HH1 ARG 105 2HH2 ARG 105 10.100 16.136 -1.740 781 2HH1 ARG 105 1HH2 ARG 105 10.209 17.807 -1.316 782 1HH2 ARG 105 2HH1 ARG 105 13.778 17.721 -1.014 783 2HH2 ARG 105 1HH1 ARG 105 12.393 18.774 -1.172 784 H LEU 106 H LEU 106 7.547 12.106 3.154 785 HA LEU 106 HA LEU 106 5.367 12.407 1.175 786 1HB LEU 106 1HB LEU 106 6.257 9.845 2.538 787 2HB LEU 106 2HB LEU 106 4.664 10.067 1.882 788 HG LEU 106 HG LEU 106 7.314 9.904 0.392 789 1HD1 LEU 106 1HD1 LEU 106 5.749 7.897 1.217 790 2HD1 LEU 106 2HD1 LEU 106 4.817 8.299 -0.216 791 3HD1 LEU 106 3HD1 LEU 106 6.509 7.873 -0.398 792 1HD2 LEU 106 1HD2 LEU 106 5.760 9.950 -1.747 793 2HD2 LEU 106 2HD2 LEU 106 4.614 10.827 -0.693 794 3HD2 LEU 106 3HD2 LEU 106 6.206 11.491 -1.036 795 H GLU 107 H GLU 107 3.221 11.701 2.241 796 HA GLU 107 HA GLU 107 3.110 13.202 4.803 797 1HB GLU 107 1HB GLU 107 0.668 12.354 3.211 798 2HB GLU 107 2HB GLU 107 0.845 13.699 4.313 799 1HG GLU 107 1HG GLU 107 2.262 14.840 2.575 800 2HG GLU 107 2HG GLU 107 1.875 13.503 1.475 801 H GLU 108 H GLU 108 1.779 12.347 6.532 802 HA GLU 108 HA GLU 108 1.741 9.361 6.523 803 1HB GLU 108 1HB GLU 108 3.086 10.513 8.235 804 2HB GLU 108 2HB GLU 108 1.647 11.377 8.811 805 1HG GLU 108 1HG GLU 108 0.636 9.361 9.579 806 2HG GLU 108 2HG GLU 108 1.777 8.334 8.689 807 H LEU 109 H LEU 109 -0.066 9.243 5.217 808 HA LEU 109 HA LEU 109 -2.394 10.808 5.766 809 1HB LEU 109 1HB LEU 109 -1.575 10.019 3.468 810 2HB LEU 109 2HB LEU 109 -2.272 8.458 3.933 811 HG LEU 109 HG LEU 109 -4.465 9.797 4.385 812 1HD1 LEU 109 1HD1 LEU 109 -3.560 12.078 4.370 813 2HD1 LEU 109 2HD1 LEU 109 -2.956 11.845 2.729 814 3HD1 LEU 109 3HD1 LEU 109 -4.707 11.886 3.039 815 1HD2 LEU 109 1HD2 LEU 109 -3.506 9.390 1.601 816 2HD2 LEU 109 2HD2 LEU 109 -4.398 8.288 2.681 817 3HD2 LEU 109 3HD2 LEU 109 -5.198 9.750 2.093 818 H THR 110 H THR 110 -2.645 9.995 8.055 819 HA THR 110 HA THR 110 -3.660 7.179 8.251 820 HB THR 110 HB THR 110 -2.807 7.437 10.610 821 HG1 THR 110 HG1 THR 110 -1.327 9.655 9.683 822 1HG2 THR 110 1HG2 THR 110 -0.440 7.188 10.046 823 2HG2 THR 110 2HG2 THR 110 -1.430 6.307 8.877 824 3HG2 THR 110 3HG2 THR 110 -0.722 7.856 8.421 825 H THR 111 H THR 111 -5.330 9.293 7.452 826 HA THR 111 HA THR 111 -7.686 9.224 8.983 827 HB THR 111 HB THR 111 -6.589 10.262 10.812 828 HG1 THR 111 HG1 THR 111 -7.729 12.250 10.850 829 1HG2 THR 111 1HG2 THR 111 -5.489 12.416 10.745 830 2HG2 THR 111 2HG2 THR 111 -4.604 11.285 9.737 831 3HG2 THR 111 3HG2 THR 111 -5.659 12.515 9.003 832 H PHE 112 H PHE 112 -8.571 9.039 6.933 833 HA PHE 112 HA PHE 112 -8.934 11.433 5.438 834 1HB PHE 112 1HB PHE 112 -8.139 10.618 3.310 835 2HB PHE 112 2HB PHE 112 -6.806 10.793 4.424 836 HD1 PHE 112 HD1 PHE 112 -8.529 8.623 2.143 837 HD2 PHE 112 HD2 PHE 112 -5.949 8.589 5.602 838 HE1 PHE 112 HE1 PHE 112 -7.851 6.329 1.639 839 HE2 PHE 112 HE2 PHE 112 -5.230 6.296 5.047 840 HZ PHE 112 HZ PHE 112 -6.219 5.119 3.111 841 H THR 113 H THR 113 -10.432 10.948 3.694 842 HA THR 113 HA THR 113 -11.760 8.357 3.581 843 HB THR 113 HB THR 113 -13.541 10.793 3.824 844 HG1 THR 113 HG1 THR 113 -13.804 10.134 6.090 845 1HG2 THR 113 1HG2 THR 113 -14.400 8.488 3.131 846 2HG2 THR 113 2HG2 THR 113 -13.914 7.899 4.726 847 3HG2 THR 113 3HG2 THR 113 -15.168 9.146 4.584 848 H ARG 114 H ARG 114 -13.845 9.630 1.789 849 HA ARG 114 HA ARG 114 -12.294 10.933 -0.326 850 1HB ARG 114 1HB ARG 114 -12.110 8.576 -0.872 851 2HB ARG 114 2HB ARG 114 -13.807 8.260 -0.523 852 1HG ARG 114 1HG ARG 114 -12.910 10.095 -2.769 853 2HG ARG 114 2HG ARG 114 -13.019 8.357 -2.962 854 1HD ARG 114 1HD ARG 114 -15.419 10.090 -2.246 855 2HD ARG 114 2HD ARG 114 -14.966 9.583 -3.856 856 HE ARG 114 HE ARG 114 -15.520 7.411 -3.412 857 1HH1 ARG 114 2HH2 ARG 114 -16.411 9.268 -0.457 858 2HH1 ARG 114 1HH2 ARG 114 -17.951 8.540 -0.352 859 1HH2 ARG 114 2HH1 ARG 114 -17.560 6.568 -3.291 860 2HH2 ARG 114 1HH1 ARG 114 -18.597 6.892 -1.939 861 H GLU 115 H GLU 115 -13.586 12.498 -1.285 862 HA GLU 115 HA GLU 115 -16.554 12.129 -0.987 863 1HB GLU 115 1HB GLU 115 -16.745 14.412 -0.457 864 2HB GLU 115 2HB GLU 115 -15.578 13.689 0.677 865 1HG GLU 115 1HG GLU 115 -13.748 14.785 -0.243 866 2HG GLU 115 2HG GLU 115 -14.501 15.090 -1.795 867 H GLY 116 H GLY 116 -14.709 11.584 -3.363 868 1HA GLY 116 1HA GLY 116 -15.944 11.796 -5.582 869 2HA GLY 116 2HA GLY 116 -15.773 13.550 -5.296 Start of MODEL 7 1 1H MET 1 H1 MET 1 14.173 -3.065 12.168 2 HA MET 1 HA MET 1 12.435 -4.111 10.852 3 1HB MET 1 1HB MET 1 12.537 -4.622 13.315 4 2HB MET 1 2HB MET 1 11.335 -3.347 13.565 5 1HG MET 1 1HG MET 1 9.847 -4.667 11.920 6 2HG MET 1 2HG MET 1 10.983 -6.000 12.146 7 1HE MET 1 1HE MET 1 7.657 -5.229 12.841 8 2HE MET 1 2HE MET 1 8.316 -6.865 12.631 9 3HE MET 1 3HE MET 1 7.458 -6.440 14.129 10 H ALA 2 H ALA 2 10.672 -3.906 9.623 11 HA ALA 2 HA ALA 2 8.314 -2.886 10.005 12 1HB ALA 2 1HB ALA 2 10.030 -0.545 9.113 13 2HB ALA 2 2HB ALA 2 8.420 -0.721 8.450 14 3HB ALA 2 3HB ALA 2 8.630 -0.582 10.216 15 H ARG 3 H ARG 3 7.040 -3.526 8.379 16 HA ARG 3 HA ARG 3 8.315 -3.649 5.693 17 1HB ARG 3 1HB ARG 3 6.411 -5.509 7.086 18 2HB ARG 3 2HB ARG 3 6.334 -5.351 5.318 19 1HG ARG 3 1HG ARG 3 8.493 -6.180 5.021 20 2HG ARG 3 2HG ARG 3 9.025 -5.626 6.615 21 1HD ARG 3 1HD ARG 3 9.180 -7.843 6.724 22 2HD ARG 3 2HD ARG 3 7.738 -7.465 7.664 23 HE ARG 3 HE ARG 3 6.359 -8.354 5.957 24 1HH1 ARG 3 2HH2 ARG 3 9.848 -9.278 5.584 25 2HH1 ARG 3 1HH2 ARG 3 9.444 -10.678 4.668 26 1HH2 ARG 3 2HH1 ARG 3 5.934 -10.173 4.854 27 2HH2 ARG 3 1HH1 ARG 3 7.129 -11.276 4.288 28 H VAL 4 H VAL 4 7.489 -2.552 4.097 29 HA VAL 4 HA VAL 4 5.068 -0.936 4.629 30 HB VAL 4 HB VAL 4 7.636 -0.106 4.648 31 1HG1 VAL 4 1HG1 VAL 4 6.981 0.456 1.765 32 2HG1 VAL 4 2HG1 VAL 4 8.517 0.771 2.601 33 3HG1 VAL 4 3HG1 VAL 4 7.994 -0.877 2.305 34 1HG2 VAL 4 1HG2 VAL 4 5.310 1.522 3.772 35 2HG2 VAL 4 2HG2 VAL 4 6.561 1.799 5.055 36 3HG2 VAL 4 3HG2 VAL 4 6.909 2.195 3.424 37 H ALA 5 H ALA 5 3.430 -1.065 3.060 38 HA ALA 5 HA ALA 5 4.140 -2.987 0.878 39 1HB ALA 5 1HB ALA 5 2.327 -3.720 2.338 40 2HB ALA 5 2HB ALA 5 1.459 -2.184 2.112 41 3HB ALA 5 3HB ALA 5 1.666 -3.311 0.751 42 H ILE 6 H ILE 6 4.004 -2.221 -1.288 43 HA ILE 6 HA ILE 6 2.862 0.511 -1.577 44 HB ILE 6 HB ILE 6 5.170 -0.591 -3.111 45 1HG1 ILE 6 1HG1 ILE 6 6.158 1.513 -1.800 46 2HG1 ILE 6 2HG1 ILE 6 4.952 1.062 -0.607 47 1HG2 ILE 6 1HG2 ILE 6 3.761 0.984 -4.387 48 2HG2 ILE 6 2HG2 ILE 6 3.937 2.181 -3.078 49 3HG2 ILE 6 3HG2 ILE 6 5.353 1.640 -4.013 50 1HD1 ILE 6 1HD1 ILE 6 6.954 -0.921 -1.733 51 2HD1 ILE 6 2HD1 ILE 6 7.246 0.033 -0.280 52 3HD1 ILE 6 3HD1 ILE 6 5.937 -1.110 -0.293 53 HA PRO 7 HA PRO 7 -0.039 -1.794 -4.117 54 1HB PRO 7 1HB PRO 7 -1.648 0.352 -4.743 55 2HB PRO 7 2HB PRO 7 -1.623 -0.403 -3.125 56 1HG PRO 7 1HG PRO 7 -0.348 2.155 -4.041 57 2HG PRO 7 2HG PRO 7 -1.100 1.771 -2.453 58 1HD PRO 7 1HD PRO 7 1.557 1.701 -3.047 59 2HD PRO 7 2HD PRO 7 0.783 0.898 -1.634 60 H SER 8 H SER 8 0.802 -2.414 -6.007 61 HA SER 8 HA SER 8 2.050 -0.468 -7.916 62 1HB SER 8 1HB SER 8 3.615 -1.944 -6.926 63 2HB SER 8 2HB SER 8 2.554 -3.336 -7.018 64 HG SER 8 HG SER 8 3.896 -3.626 -8.698 65 H VAL 9 H VAL 9 1.728 -1.188 -10.213 66 HA VAL 9 HA VAL 9 -0.494 -3.175 -10.657 67 HB VAL 9 HB VAL 9 -1.178 -1.887 -12.631 68 1HG1 VAL 9 1HG1 VAL 9 -2.425 -0.232 -11.585 69 2HG1 VAL 9 2HG1 VAL 9 -2.182 -1.431 -10.308 70 3HG1 VAL 9 3HG1 VAL 9 -1.215 0.078 -10.329 71 1HG2 VAL 9 1HG2 VAL 9 1.023 -0.619 -13.040 72 2HG2 VAL 9 2HG2 VAL 9 -0.436 0.363 -13.126 73 3HG2 VAL 9 3HG2 VAL 9 0.568 0.439 -11.688 74 H GLY 10 H GLY 10 2.377 -3.700 -10.381 75 1HA GLY 10 1HA GLY 10 2.496 -5.435 -12.628 76 2HA GLY 10 2HA GLY 10 3.732 -4.174 -12.765 77 H LYS 11 H LYS 11 4.582 -6.729 -12.526 78 HA LYS 11 HA LYS 11 5.161 -7.277 -9.674 79 1HB LYS 11 1HB LYS 11 6.081 -9.412 -10.431 80 2HB LYS 11 2HB LYS 11 4.391 -9.180 -10.857 81 1HG LYS 11 1HG LYS 11 5.067 -8.588 -13.184 82 2HG LYS 11 2HG LYS 11 6.755 -8.871 -12.728 83 1HD LYS 11 1HD LYS 11 6.241 -10.956 -13.608 84 2HD LYS 11 2HD LYS 11 5.884 -11.222 -11.914 85 1HE LYS 11 1HE LYS 11 4.092 -12.166 -13.180 86 2HE LYS 11 2HE LYS 11 3.440 -10.727 -12.397 87 1HZ LYS 11 1HZ LYS 11 3.731 -9.571 -14.543 88 2HZ LYS 11 2HZ LYS 11 4.303 -10.939 -15.220 89 3HZ LYS 11 3HZ LYS 11 2.767 -10.894 -14.685 90 H ASP 12 H ASP 12 6.272 -4.918 -10.483 91 HA ASP 12 HA ASP 12 9.177 -5.479 -10.710 92 1HB ASP 12 1HB ASP 12 7.837 -4.835 -12.909 93 2HB ASP 12 2HB ASP 12 7.935 -3.219 -12.250 94 H LEU 13 H LEU 13 10.407 -3.827 -9.963 95 HA LEU 13 HA LEU 13 9.344 -2.164 -7.799 96 1HB LEU 13 1HB LEU 13 11.438 -3.635 -7.995 97 2HB LEU 13 2HB LEU 13 12.166 -2.314 -8.880 98 HG LEU 13 HG LEU 13 12.971 -2.332 -6.663 99 1HD1 LEU 13 1HD1 LEU 13 12.598 -0.126 -5.908 100 2HD1 LEU 13 2HD1 LEU 13 12.407 -0.097 -7.678 101 3HD1 LEU 13 3HD1 LEU 13 10.985 -0.064 -6.631 102 1HD2 LEU 13 1HD2 LEU 13 10.131 -2.287 -5.634 103 2HD2 LEU 13 2HD2 LEU 13 11.263 -3.636 -5.556 104 3HD2 LEU 13 3HD2 LEU 13 11.587 -2.147 -4.644 105 H SER 14 H SER 14 10.132 -1.902 -11.161 106 HA SER 14 HA SER 14 9.773 1.044 -11.097 107 1HB SER 14 1HB SER 14 11.808 -0.466 -12.203 108 2HB SER 14 2HB SER 14 10.627 -0.475 -13.510 109 HG SER 14 HG SER 14 12.282 1.476 -12.526 110 H SER 15 H SER 15 7.541 -0.825 -10.672 111 HA SER 15 HA SER 15 6.058 -0.681 -13.187 112 1HB SER 15 1HB SER 15 4.270 -1.712 -11.873 113 2HB SER 15 2HB SER 15 5.807 -2.517 -11.410 114 HG SER 15 HG SER 15 4.509 -1.847 -9.595 115 H MET 16 H MET 16 3.760 0.643 -12.794 116 HA MET 16 HA MET 16 4.346 3.206 -11.434 117 1HB MET 16 1HB MET 16 2.218 2.044 -13.232 118 2HB MET 16 2HB MET 16 1.678 3.203 -12.050 119 1HG MET 16 1HG MET 16 4.129 4.173 -13.291 120 2HG MET 16 2HG MET 16 2.996 3.690 -14.530 121 1HE MET 16 1HE MET 16 1.962 6.808 -11.263 122 2HE MET 16 2HE MET 16 1.345 5.132 -11.167 123 3HE MET 16 3HE MET 16 3.091 5.432 -11.116 124 H VAL 17 H VAL 17 3.638 3.748 -9.418 125 HA VAL 17 HA VAL 17 2.313 1.800 -7.714 126 HB VAL 17 HB VAL 17 3.049 4.733 -7.278 127 1HG1 VAL 17 1HG1 VAL 17 2.248 2.734 -5.125 128 2HG1 VAL 17 2HG1 VAL 17 2.866 4.374 -4.902 129 3HG1 VAL 17 3HG1 VAL 17 1.259 4.114 -5.623 130 1HG2 VAL 17 1HG2 VAL 17 4.282 2.127 -6.346 131 2HG2 VAL 17 2HG2 VAL 17 4.866 3.225 -7.601 132 3HG2 VAL 17 3HG2 VAL 17 4.855 3.783 -5.937 133 H SER 18 H SER 18 0.193 2.035 -6.844 134 HA SER 18 HA SER 18 -1.737 3.081 -8.833 135 1HB SER 18 1HB SER 18 -1.545 0.584 -8.252 136 2HB SER 18 2HB SER 18 -2.181 0.995 -6.678 137 HG SER 18 HG SER 18 -4.030 0.665 -7.733 138 H ASP 19 H ASP 19 -3.258 4.554 -8.292 139 HA ASP 19 HA ASP 19 -2.730 6.089 -5.920 140 1HB ASP 19 1HB ASP 19 -4.847 6.299 -8.111 141 2HB ASP 19 2HB ASP 19 -4.683 7.492 -6.831 142 H ARG 20 H ARG 20 -3.686 3.480 -5.213 143 HA ARG 20 HA ARG 20 -6.097 3.858 -3.664 144 1HB ARG 20 1HB ARG 20 -6.998 1.800 -5.249 145 2HB ARG 20 2HB ARG 20 -7.636 3.432 -5.250 146 1HG ARG 20 1HG ARG 20 -6.168 3.998 -7.175 147 2HG ARG 20 2HG ARG 20 -5.511 2.367 -7.166 148 1HD ARG 20 1HD ARG 20 -7.305 1.566 -8.328 149 2HD ARG 20 2HD ARG 20 -8.460 2.432 -7.305 150 HE ARG 20 HE ARG 20 -8.292 4.349 -8.581 151 1HH1 ARG 20 2HH2 ARG 20 -6.272 1.749 -10.040 152 2HH1 ARG 20 1HH2 ARG 20 -5.839 2.718 -11.384 153 1HH2 ARG 20 2HH1 ARG 20 -7.666 5.594 -10.446 154 2HH2 ARG 20 1HH1 ARG 20 -6.735 4.884 -11.693 155 H PHE 21 H PHE 21 -5.215 2.738 -1.934 156 HA PHE 21 HA PHE 21 -3.568 0.421 -2.270 157 1HB PHE 21 1HB PHE 21 -3.593 1.703 -0.168 158 2HB PHE 21 2HB PHE 21 -5.318 1.586 -0.044 159 HD1 PHE 21 HD1 PHE 21 -2.481 -0.753 -0.535 160 HD2 PHE 21 HD2 PHE 21 -6.092 0.116 1.636 161 HE1 PHE 21 HE1 PHE 21 -2.292 -2.913 0.533 162 HE2 PHE 21 HE2 PHE 21 -5.845 -2.029 2.861 163 HZ PHE 21 HZ PHE 21 -3.951 -3.557 2.350 164 H ALA 22 H ALA 22 -7.020 0.557 -1.358 165 HA ALA 22 HA ALA 22 -7.253 -2.253 -1.439 166 1HB ALA 22 1HB ALA 22 -9.523 -0.194 -1.727 167 2HB ALA 22 2HB ALA 22 -9.669 -1.847 -1.165 168 3HB ALA 22 3HB ALA 22 -8.785 -0.681 -0.183 169 H ARG 23 H ARG 23 -6.754 -0.321 -4.218 170 HA ARG 23 HA ARG 23 -7.654 -2.452 -5.883 171 1HB ARG 23 1HB ARG 23 -8.398 0.484 -6.053 172 2HB ARG 23 2HB ARG 23 -7.923 -0.405 -7.471 173 1HG ARG 23 1HG ARG 23 -9.761 -2.094 -6.859 174 2HG ARG 23 2HG ARG 23 -10.260 -0.943 -5.607 175 1HD ARG 23 1HD ARG 23 -11.593 -0.720 -7.678 176 2HD ARG 23 2HD ARG 23 -10.706 0.779 -7.322 177 HE ARG 23 HE ARG 23 -9.242 -1.047 -9.019 178 1HH1 ARG 23 2HH2 ARG 23 -12.078 0.922 -9.382 179 2HH1 ARG 23 1HH2 ARG 23 -11.799 1.273 -11.054 180 1HH2 ARG 23 2HH1 ARG 23 -8.630 -0.376 -11.056 181 2HH2 ARG 23 1HH1 ARG 23 -9.651 0.616 -12.021 182 H ALA 24 H ALA 24 -5.373 -2.947 -5.368 183 HA ALA 24 HA ALA 24 -3.753 -1.624 -7.429 184 1HB ALA 24 1HB ALA 24 -2.104 -2.935 -5.336 185 2HB ALA 24 2HB ALA 24 -1.874 -1.395 -6.160 186 3HB ALA 24 3HB ALA 24 -2.952 -1.499 -4.737 187 H GLU 25 H GLU 25 -2.119 -3.374 -8.289 188 HA GLU 25 HA GLU 25 -3.535 -5.925 -8.214 189 1HB GLU 25 1HB GLU 25 -2.359 -4.411 -10.478 190 2HB GLU 25 2HB GLU 25 -2.203 -6.182 -10.526 191 1HG GLU 25 1HG GLU 25 -4.675 -6.265 -9.858 192 2HG GLU 25 2HG GLU 25 -4.748 -4.556 -10.233 193 H TYR 26 H TYR 26 -0.508 -4.575 -7.306 194 HA TYR 26 HA TYR 26 0.374 -7.180 -6.546 195 1HB TYR 26 1HB TYR 26 1.761 -5.059 -8.294 196 2HB TYR 26 2HB TYR 26 2.675 -6.326 -7.503 197 HD1 TYR 26 HD1 TYR 26 0.410 -5.488 -10.267 198 HD2 TYR 26 HD2 TYR 26 2.452 -8.718 -8.288 199 HE1 TYR 26 HE1 TYR 26 0.189 -6.851 -12.301 200 HE2 TYR 26 HE2 TYR 26 2.253 -10.097 -10.320 201 HH TYR 26 HH TYR 26 0.679 -8.949 -13.321 202 H PHE 27 H PHE 27 1.973 -6.745 -4.720 203 HA PHE 27 HA PHE 27 1.753 -4.115 -3.435 204 1HB PHE 27 1HB PHE 27 0.915 -6.768 -2.225 205 2HB PHE 27 2HB PHE 27 1.401 -5.358 -1.250 206 HD1 PHE 27 HD1 PHE 27 0.133 -3.225 -1.427 207 HD2 PHE 27 HD2 PHE 27 -1.166 -6.812 -3.416 208 HE1 PHE 27 HE1 PHE 27 -2.029 -2.155 -1.993 209 HE2 PHE 27 HE2 PHE 27 -3.322 -5.710 -4.001 210 HZ PHE 27 HZ PHE 27 -3.696 -3.359 -3.302 211 H ILE 28 H ILE 28 3.875 -3.684 -3.751 212 HA ILE 28 HA ILE 28 5.941 -5.776 -3.528 213 HB ILE 28 HB ILE 28 6.478 -2.830 -3.853 214 1HG1 ILE 28 1HG1 ILE 28 5.007 -2.860 -5.597 215 2HG1 ILE 28 2HG1 ILE 28 6.532 -3.273 -6.369 216 1HG2 ILE 28 1HG2 ILE 28 7.806 -5.412 -4.811 217 2HG2 ILE 28 2HG2 ILE 28 8.406 -3.781 -5.143 218 3HG2 ILE 28 3HG2 ILE 28 8.289 -4.329 -3.494 219 1HD1 ILE 28 1HD1 ILE 28 4.113 -4.928 -6.036 220 2HD1 ILE 28 2HD1 ILE 28 5.161 -4.708 -7.443 221 3HD1 ILE 28 3HD1 ILE 28 5.707 -5.746 -6.107 222 H ILE 29 H ILE 29 6.235 -6.475 -1.529 223 HA ILE 29 HA ILE 29 5.924 -4.657 0.790 224 HB ILE 29 HB ILE 29 6.154 -7.677 0.576 225 1HG1 ILE 29 1HG1 ILE 29 3.904 -5.791 1.282 226 2HG1 ILE 29 2HG1 ILE 29 4.132 -6.821 -0.116 227 1HG2 ILE 29 1HG2 ILE 29 7.267 -7.621 2.515 228 2HG2 ILE 29 2HG2 ILE 29 6.699 -6.035 2.982 229 3HG2 ILE 29 3HG2 ILE 29 5.648 -7.438 3.206 230 1HD1 ILE 29 1HD1 ILE 29 3.116 -7.499 2.540 231 2HD1 ILE 29 2HD1 ILE 29 2.788 -8.223 0.963 232 3HD1 ILE 29 3HD1 ILE 29 4.227 -8.702 1.854 233 H TYR 30 H TYR 30 7.656 -3.455 1.138 234 HA TYR 30 HA TYR 30 10.402 -4.609 0.732 235 1HB TYR 30 1HB TYR 30 9.744 -2.188 0.076 236 2HB TYR 30 2HB TYR 30 9.545 -1.912 1.786 237 HD1 TYR 30 HD1 TYR 30 11.436 -1.318 3.146 238 HD2 TYR 30 HD2 TYR 30 11.983 -2.871 -0.813 239 HE1 TYR 30 HE1 TYR 30 13.867 -0.820 3.303 240 HE2 TYR 30 HE2 TYR 30 14.437 -2.380 -0.680 241 HH TYR 30 HH TYR 30 16.131 -1.206 0.604 242 H ASP 31 H ASP 31 11.623 -5.142 2.485 243 HA ASP 31 HA ASP 31 10.516 -4.971 5.238 244 1HB ASP 31 1HB ASP 31 10.926 -7.211 3.978 245 2HB ASP 31 2HB ASP 31 12.627 -6.876 4.140 246 H THR 32 H THR 32 11.552 -3.472 6.551 247 HA THR 32 HA THR 32 14.163 -2.451 5.644 248 HB THR 32 HB THR 32 13.856 -0.767 7.389 249 HG1 THR 32 HG1 THR 32 11.425 -2.078 7.961 250 1HG2 THR 32 1HG2 THR 32 11.763 0.269 6.604 251 2HG2 THR 32 2HG2 THR 32 12.711 -0.359 5.259 252 3HG2 THR 32 3HG2 THR 32 11.271 -1.220 5.810 253 H GLU 33 H GLU 33 13.911 -5.228 6.775 254 HA GLU 33 HA GLU 33 15.912 -4.823 8.929 255 1HB GLU 33 1HB GLU 33 14.114 -7.204 8.273 256 2HB GLU 33 2HB GLU 33 15.509 -7.412 9.302 257 1HG GLU 33 1HG GLU 33 13.333 -5.405 9.909 258 2HG GLU 33 2HG GLU 33 13.282 -7.064 10.482 259 H SER 34 H SER 34 15.429 -6.457 5.851 260 HA SER 34 HA SER 34 18.274 -5.930 5.724 261 1HB SER 34 1HB SER 34 17.074 -8.660 5.727 262 2HB SER 34 2HB SER 34 18.191 -8.420 4.372 263 HG SER 34 HG SER 34 18.853 -9.029 6.794 264 H GLY 35 H GLY 35 15.692 -4.839 4.596 265 1HA GLY 35 1HA GLY 35 15.200 -3.640 2.784 266 2HA GLY 35 2HA GLY 35 16.873 -3.810 2.268 267 H ASN 36 H ASN 36 14.564 -6.347 2.920 268 HA ASN 36 HA ASN 36 15.056 -7.704 0.346 269 1HB ASN 36 1HB ASN 36 15.041 -8.771 2.725 270 2HB ASN 36 2HB ASN 36 13.306 -8.513 2.726 271 1HD2 ASN 36 1HD2 ASN 36 15.588 -10.829 2.271 272 2HD2 ASN 36 2HD2 ASN 36 14.579 -11.894 1.321 273 H VAL 37 H VAL 37 13.054 -8.434 -0.900 274 HA VAL 37 HA VAL 37 10.742 -6.771 -0.387 275 HB VAL 37 HB VAL 37 11.537 -6.792 -3.243 276 1HG1 VAL 37 1HG1 VAL 37 10.366 -4.630 -3.144 277 2HG1 VAL 37 2HG1 VAL 37 9.337 -5.922 -2.483 278 3HG1 VAL 37 3HG1 VAL 37 10.190 -4.798 -1.390 279 1HG2 VAL 37 1HG2 VAL 37 12.648 -4.590 -3.047 280 2HG2 VAL 37 2HG2 VAL 37 12.769 -4.844 -1.289 281 3HG2 VAL 37 3HG2 VAL 37 13.638 -5.923 -2.381 282 H GLU 38 H GLU 38 8.828 -7.624 -1.293 283 HA GLU 38 HA GLU 38 8.993 -10.198 -2.740 284 1HB GLU 38 1HB GLU 38 8.424 -10.790 -0.443 285 2HB GLU 38 2HB GLU 38 7.237 -9.483 -0.357 286 1HG GLU 38 1HG GLU 38 6.015 -11.511 -0.605 287 2HG GLU 38 2HG GLU 38 5.839 -10.631 -2.083 288 H VAL 39 H VAL 39 7.514 -10.445 -4.353 289 HA VAL 39 HA VAL 39 5.698 -8.167 -4.841 290 HB VAL 39 HB VAL 39 6.529 -10.380 -6.755 291 1HG1 VAL 39 1HG1 VAL 39 5.158 -9.424 -8.413 292 2HG1 VAL 39 2HG1 VAL 39 4.113 -9.453 -7.026 293 3HG1 VAL 39 3HG1 VAL 39 4.859 -7.927 -7.523 294 1HG2 VAL 39 1HG2 VAL 39 7.499 -8.468 -8.057 295 2HG2 VAL 39 2HG2 VAL 39 7.220 -7.423 -6.645 296 3HG2 VAL 39 3HG2 VAL 39 8.336 -8.802 -6.527 297 H VAL 40 H VAL 40 3.863 -8.581 -3.741 298 HA VAL 40 HA VAL 40 2.632 -11.273 -3.605 299 HB VAL 40 HB VAL 40 2.083 -8.489 -2.543 300 1HG1 VAL 40 1HG1 VAL 40 -0.023 -10.679 -2.596 301 2HG1 VAL 40 2HG1 VAL 40 -0.084 -9.193 -1.614 302 3HG1 VAL 40 3HG1 VAL 40 -0.105 -9.067 -3.370 303 1HG2 VAL 40 1HG2 VAL 40 2.241 -11.266 -1.308 304 2HG2 VAL 40 2HG2 VAL 40 3.448 -9.977 -1.182 305 3HG2 VAL 40 3HG2 VAL 40 1.877 -9.794 -0.400 306 H GLU 41 H GLU 41 0.661 -11.702 -4.811 307 HA GLU 41 HA GLU 41 0.353 -10.061 -7.303 308 1HB GLU 41 1HB GLU 41 1.481 -12.314 -7.412 309 2HB GLU 41 2HB GLU 41 -0.036 -13.044 -6.873 310 1HG GLU 41 1HG GLU 41 -1.143 -12.140 -8.901 311 2HG GLU 41 2HG GLU 41 0.423 -11.533 -9.456 312 H ASN 42 H ASN 42 -1.698 -9.038 -7.271 313 HA ASN 42 HA ASN 42 -3.878 -10.262 -5.687 314 1HB ASN 42 1HB ASN 42 -2.380 -7.664 -5.315 315 2HB ASN 42 2HB ASN 42 -4.127 -7.586 -5.224 316 1HD2 ASN 42 1HD2 ASN 42 -2.305 -10.464 -4.206 317 2HD2 ASN 42 2HD2 ASN 42 -2.695 -10.343 -2.517 318 H THR 43 H THR 43 -4.818 -10.933 -7.722 319 HA THR 43 HA THR 43 -5.047 -9.000 -9.842 320 HB THR 43 HB THR 43 -6.300 -11.022 -10.810 321 HG1 THR 43 HG1 THR 43 -7.003 -12.076 -9.057 322 1HG2 THR 43 1HG2 THR 43 -3.544 -11.649 -9.605 323 2HG2 THR 43 2HG2 THR 43 -4.277 -12.354 -11.056 324 3HG2 THR 43 3HG2 THR 43 -3.802 -10.655 -11.053 325 H ILE 44 H ILE 44 -6.168 -7.366 -8.038 326 HA ILE 44 HA ILE 44 -8.905 -8.182 -7.458 327 HB ILE 44 HB ILE 44 -7.835 -5.553 -6.518 328 1HG1 ILE 44 1HG1 ILE 44 -5.841 -6.835 -6.169 329 2HG1 ILE 44 2HG1 ILE 44 -6.579 -6.466 -4.650 330 1HG2 ILE 44 1HG2 ILE 44 -9.384 -7.772 -5.243 331 2HG2 ILE 44 2HG2 ILE 44 -8.727 -6.382 -4.371 332 3HG2 ILE 44 3HG2 ILE 44 -9.931 -6.123 -5.665 333 1HD1 ILE 44 1HD1 ILE 44 -7.545 -8.763 -4.507 334 2HD1 ILE 44 2HD1 ILE 44 -6.750 -9.179 -6.043 335 3HD1 ILE 44 3HD1 ILE 44 -5.813 -8.798 -4.596 336 H ALA 45 H ALA 45 -10.712 -6.819 -7.954 337 HA ALA 45 HA ALA 45 -10.307 -4.828 -10.109 338 1HB ALA 45 1HB ALA 45 -12.412 -7.011 -10.120 339 2HB ALA 45 2HB ALA 45 -12.202 -5.746 -11.354 340 3HB ALA 45 3HB ALA 45 -10.957 -6.987 -11.141 341 H ASP 46 H ASP 46 -12.434 -3.625 -10.482 342 HA ASP 46 HA ASP 46 -13.099 -2.322 -8.015 343 1HB ASP 46 1HB ASP 46 -12.702 -1.229 -10.238 344 2HB ASP 46 2HB ASP 46 -14.278 -1.777 -10.761 345 H ALA 47 H ALA 47 -14.107 -4.136 -6.956 346 HA ALA 47 HA ALA 47 -17.040 -4.079 -7.284 347 1HB ALA 47 1HB ALA 47 -15.334 -6.504 -6.518 348 2HB ALA 47 2HB ALA 47 -17.099 -6.426 -6.460 349 3HB ALA 47 3HB ALA 47 -16.268 -6.330 -8.021 350 H HIS 48 H HIS 48 -18.029 -4.376 -5.126 351 HA HIS 48 HA HIS 48 -16.762 -2.997 -2.961 352 1HB HIS 48 1HB HIS 48 -19.063 -4.990 -2.979 353 2HB HIS 48 2HB HIS 48 -18.565 -4.053 -1.571 354 HD1 HIS 48 HD1 HIS 48 -20.037 -1.925 -1.297 355 HD2 HIS 48 HD2 HIS 48 -19.683 -3.265 -5.282 356 HE1 HIS 48 HE1 HIS 48 -21.325 -0.280 -2.748 357 H GLY 49 H GLY 49 -17.426 -6.540 -3.345 358 1HA GLY 49 1HA GLY 49 -16.040 -8.342 -3.156 359 2HA GLY 49 2HA GLY 49 -14.656 -7.228 -3.188 360 H THR 50 H THR 50 -17.221 -8.530 -1.115 361 HA THR 50 HA THR 50 -16.608 -7.107 1.175 362 HB THR 50 HB THR 50 -17.985 -8.849 2.342 363 HG1 THR 50 HG1 THR 50 -17.774 -10.133 -0.192 364 1HG2 THR 50 1HG2 THR 50 -19.053 -7.914 -0.358 365 2HG2 THR 50 2HG2 THR 50 -20.018 -8.596 0.944 366 3HG2 THR 50 3HG2 THR 50 -19.157 -7.061 1.193 367 H GLY 51 H GLY 51 -15.496 -7.406 3.036 368 1HA GLY 51 1HA GLY 51 -13.948 -8.330 4.528 369 2HA GLY 51 2HA GLY 51 -13.646 -9.693 3.421 370 HA PRO 52 HA PRO 52 -10.693 -6.094 2.723 371 1HB PRO 52 1HB PRO 52 -8.381 -7.020 3.814 372 2HB PRO 52 2HB PRO 52 -9.623 -6.076 4.700 373 1HG PRO 52 1HG PRO 52 -9.053 -9.038 4.773 374 2HG PRO 52 2HG PRO 52 -9.570 -7.989 6.107 375 1HD PRO 52 1HD PRO 52 -11.334 -9.582 4.701 376 2HD PRO 52 2HD PRO 52 -11.797 -8.065 5.524 377 H LYS 53 H LYS 53 -10.123 -9.574 2.341 378 HA LYS 53 HA LYS 53 -8.921 -10.874 0.963 379 1HB LYS 53 1HB LYS 53 -9.309 -8.745 -1.169 380 2HB LYS 53 2HB LYS 53 -8.884 -10.425 -1.387 381 1HG LYS 53 1HG LYS 53 -11.071 -10.788 -1.760 382 2HG LYS 53 2HG LYS 53 -11.249 -10.714 -0.012 383 1HD LYS 53 1HD LYS 53 -12.894 -9.287 -1.040 384 2HD LYS 53 2HD LYS 53 -11.739 -8.274 -0.190 385 1HE LYS 53 1HE LYS 53 -12.349 -7.249 -2.278 386 2HE LYS 53 2HE LYS 53 -10.641 -7.658 -2.340 387 1HZ LYS 53 1HZ LYS 53 -11.953 -8.231 -4.374 388 2HZ LYS 53 2HZ LYS 53 -11.151 -9.525 -3.729 389 3HZ LYS 53 3HZ LYS 53 -12.768 -9.354 -3.494 390 H VAL 54 H VAL 54 -7.760 -7.616 0.037 391 HA VAL 54 HA VAL 54 -5.106 -8.561 -0.607 392 HB VAL 54 HB VAL 54 -5.631 -6.728 -1.858 393 1HG1 VAL 54 1HG1 VAL 54 -7.109 -5.473 0.421 394 2HG1 VAL 54 2HG1 VAL 54 -6.773 -4.662 -1.121 395 3HG1 VAL 54 3HG1 VAL 54 -7.755 -6.112 -1.112 396 1HG2 VAL 54 1HG2 VAL 54 -4.459 -4.728 -1.157 397 2HG2 VAL 54 2HG2 VAL 54 -4.434 -5.264 0.507 398 3HG2 VAL 54 3HG2 VAL 54 -3.521 -6.161 -0.737 399 H VAL 55 H VAL 55 -6.446 -6.517 1.984 400 HA VAL 55 HA VAL 55 -4.135 -6.390 3.667 401 HB VAL 55 HB VAL 55 -6.799 -6.212 4.950 402 1HG1 VAL 55 1HG1 VAL 55 -5.857 -4.135 5.796 403 2HG1 VAL 55 2HG1 VAL 55 -4.737 -5.489 5.982 404 3HG1 VAL 55 3HG1 VAL 55 -4.462 -4.293 4.702 405 1HG2 VAL 55 1HG2 VAL 55 -6.086 -4.359 2.621 406 2HG2 VAL 55 2HG2 VAL 55 -7.553 -5.318 2.778 407 3HG2 VAL 55 3HG2 VAL 55 -7.279 -3.946 3.875 408 H GLN 56 H GLN 56 -6.699 -8.915 3.757 409 HA GLN 56 HA GLN 56 -5.859 -9.986 6.123 410 1HB GLN 56 1HB GLN 56 -6.894 -11.990 5.615 411 2HB GLN 56 2HB GLN 56 -7.818 -10.741 4.839 412 1HG GLN 56 1HG GLN 56 -7.827 -11.992 3.014 413 2HG GLN 56 2HG GLN 56 -6.132 -11.587 2.813 414 1HE2 GLN 56 1HE2 GLN 56 -8.231 -14.266 3.063 415 2HE2 GLN 56 2HE2 GLN 56 -7.068 -15.444 3.600 416 H SER 57 H SER 57 -4.338 -10.437 2.928 417 HA SER 57 HA SER 57 -2.422 -12.446 3.738 418 1HB SER 57 1HB SER 57 -3.525 -11.748 1.381 419 2HB SER 57 2HB SER 57 -2.121 -10.654 1.334 420 HG SER 57 HG SER 57 -1.066 -12.935 1.972 421 H LEU 58 H LEU 58 -2.286 -8.920 2.978 422 HA LEU 58 HA LEU 58 0.517 -8.585 3.281 423 1HB LEU 58 1HB LEU 58 -1.729 -6.578 3.789 424 2HB LEU 58 2HB LEU 58 -0.022 -6.166 3.587 425 HG LEU 58 HG LEU 58 -1.709 -7.501 1.420 426 1HD1 LEU 58 1HD1 LEU 58 -0.941 -4.578 1.776 427 2HD1 LEU 58 2HD1 LEU 58 -1.719 -5.268 0.335 428 3HD1 LEU 58 3HD1 LEU 58 -2.580 -5.265 1.871 429 1HD2 LEU 58 1HD2 LEU 58 1.031 -6.245 1.233 430 2HD2 LEU 58 2HD2 LEU 58 0.641 -7.987 1.185 431 3HD2 LEU 58 3HD2 LEU 58 0.049 -6.947 -0.084 432 H VAL 59 H VAL 59 -2.128 -8.232 5.622 433 HA VAL 59 HA VAL 59 -0.679 -7.516 7.926 434 HB VAL 59 HB VAL 59 -3.293 -8.765 7.123 435 1HG1 VAL 59 1HG1 VAL 59 -4.099 -8.851 9.442 436 2HG1 VAL 59 2HG1 VAL 59 -2.960 -10.139 9.049 437 3HG1 VAL 59 3HG1 VAL 59 -2.415 -8.739 10.008 438 1HG2 VAL 59 1HG2 VAL 59 -2.897 -6.370 7.095 439 2HG2 VAL 59 2HG2 VAL 59 -4.102 -6.760 8.344 440 3HG2 VAL 59 3HG2 VAL 59 -2.410 -6.401 8.796 441 H SER 60 H SER 60 -1.529 -10.807 6.693 442 HA SER 60 HA SER 60 -0.183 -12.121 8.787 443 1HB SER 60 1HB SER 60 -1.901 -13.042 7.145 444 2HB SER 60 2HB SER 60 -0.594 -13.168 5.956 445 HG SER 60 HG SER 60 -0.819 -14.477 8.489 446 H LYS 61 H LYS 61 1.064 -10.521 5.915 447 HA LYS 61 HA LYS 61 3.775 -11.737 6.173 448 1HB LYS 61 1HB LYS 61 2.425 -9.854 4.179 449 2HB LYS 61 2HB LYS 61 4.136 -10.271 4.095 450 1HG LYS 61 1HG LYS 61 3.725 -12.544 3.672 451 2HG LYS 61 2HG LYS 61 2.023 -12.447 4.102 452 1HD LYS 61 1HD LYS 61 1.410 -11.330 2.148 453 2HD LYS 61 2HD LYS 61 3.037 -10.720 1.838 454 1HE LYS 61 1HE LYS 61 2.279 -13.666 1.615 455 2HE LYS 61 2HE LYS 61 2.305 -12.532 0.264 456 1HZ LYS 61 1HZ LYS 61 4.537 -13.644 1.743 457 2HZ LYS 61 2HZ LYS 61 4.352 -13.388 0.128 458 3HZ LYS 61 3HZ LYS 61 4.731 -12.128 1.143 459 H GLY 62 H GLY 62 2.657 -10.134 8.332 460 1HA GLY 62 1HA GLY 62 3.210 -8.562 9.787 461 2HA GLY 62 2HA GLY 62 4.882 -8.934 9.286 462 H VAL 63 H VAL 63 2.398 -7.224 7.322 463 HA VAL 63 HA VAL 63 4.234 -5.009 6.894 464 HB VAL 63 HB VAL 63 1.349 -5.596 6.105 465 1HG1 VAL 63 1HG1 VAL 63 1.618 -3.146 6.195 466 2HG1 VAL 63 2HG1 VAL 63 3.087 -3.272 5.189 467 3HG1 VAL 63 3HG1 VAL 63 1.492 -3.725 4.540 468 1HG2 VAL 63 1HG2 VAL 63 2.669 -5.644 3.811 469 2HG2 VAL 63 2HG2 VAL 63 4.103 -5.743 4.826 470 3HG2 VAL 63 3HG2 VAL 63 2.920 -7.013 4.908 471 H GLU 64 H GLU 64 4.293 -3.010 7.921 472 HA GLU 64 HA GLU 64 2.092 -2.343 9.875 473 1HB GLU 64 1HB GLU 64 5.081 -2.655 10.275 474 2HB GLU 64 2HB GLU 64 4.363 -1.329 11.075 475 1HG GLU 64 1HG GLU 64 2.710 -3.690 11.513 476 2HG GLU 64 2HG GLU 64 4.376 -4.025 11.924 477 H TYR 65 H TYR 65 2.647 -1.428 7.056 478 HA TYR 65 HA TYR 65 2.608 1.432 7.343 479 1HB TYR 65 1HB TYR 65 5.123 -0.052 6.577 480 2HB TYR 65 2HB TYR 65 4.751 1.486 5.910 481 HD1 TYR 65 HD1 TYR 65 6.649 0.143 8.198 482 HD2 TYR 65 HD2 TYR 65 4.181 3.515 7.456 483 HE1 TYR 65 HE1 TYR 65 8.016 1.494 9.875 484 HE2 TYR 65 HE2 TYR 65 5.497 4.886 9.074 485 HH TYR 65 HH TYR 65 8.474 3.703 10.503 486 H LEU 66 H LEU 66 2.666 2.323 5.077 487 HA LEU 66 HA LEU 66 2.419 0.611 2.808 488 1HB LEU 66 1HB LEU 66 0.296 -0.075 3.790 489 2HB LEU 66 2HB LEU 66 -0.006 1.533 4.376 490 HG LEU 66 HG LEU 66 -0.487 2.402 2.235 491 1HD1 LEU 66 1HD1 LEU 66 -0.040 -0.395 1.131 492 2HD1 LEU 66 2HD1 LEU 66 -1.099 0.794 0.329 493 3HD1 LEU 66 3HD1 LEU 66 0.572 1.163 0.510 494 1HD2 LEU 66 1HD2 LEU 66 -2.224 1.412 3.694 495 2HD2 LEU 66 2HD2 LEU 66 -2.667 1.325 1.990 496 3HD2 LEU 66 3HD2 LEU 66 -2.082 -0.126 2.833 497 H ILE 67 H ILE 67 2.297 1.937 0.918 498 HA ILE 67 HA ILE 67 2.318 4.895 1.345 499 HB ILE 67 HB ILE 67 3.967 3.076 -0.499 500 1HG1 ILE 67 1HG1 ILE 67 4.985 5.029 1.655 501 2HG1 ILE 67 2HG1 ILE 67 4.597 3.386 2.100 502 1HG2 ILE 67 1HG2 ILE 67 3.673 5.098 -1.724 503 2HG2 ILE 67 2HG2 ILE 67 3.761 6.128 -0.271 504 3HG2 ILE 67 3HG2 ILE 67 5.222 5.344 -0.900 505 1HD1 ILE 67 1HD1 ILE 67 6.664 3.955 -0.023 506 2HD1 ILE 67 2HD1 ILE 67 7.010 3.725 1.689 507 3HD1 ILE 67 3HD1 ILE 67 6.271 2.420 0.749 508 H ALA 68 H ALA 68 0.306 5.570 0.537 509 HA ALA 68 HA ALA 68 -0.635 4.485 -2.036 510 1HB ALA 68 1HB ALA 68 -2.069 3.919 0.598 511 2HB ALA 68 2HB ALA 68 -2.762 3.680 -1.020 512 3HB ALA 68 3HB ALA 68 -1.339 2.748 -0.505 513 H SER 69 H SER 69 -1.368 6.284 -2.963 514 HA SER 69 HA SER 69 -1.680 8.760 -1.634 515 1HB SER 69 1HB SER 69 -2.317 9.721 -3.678 516 2HB SER 69 2HB SER 69 -1.253 8.384 -4.106 517 HG SER 69 HG SER 69 -3.581 8.867 -5.024 518 H ASN 70 H ASN 70 -4.098 6.266 -1.919 519 HA ASN 70 HA ASN 70 -6.183 7.661 -0.581 520 1HB ASN 70 1HB ASN 70 -6.016 7.712 -3.567 521 2HB ASN 70 2HB ASN 70 -7.417 6.808 -3.045 522 1HD2 ASN 70 1HD2 ASN 70 -5.834 9.886 -1.924 523 2HD2 ASN 70 2HD2 ASN 70 -7.283 10.858 -2.115 524 H VAL 71 H VAL 71 -8.117 5.942 -0.729 525 HA VAL 71 HA VAL 71 -7.077 3.196 -1.192 526 HB VAL 71 HB VAL 71 -7.121 3.844 1.164 527 1HG1 VAL 71 1HG1 VAL 71 -9.164 3.853 2.438 528 2HG1 VAL 71 2HG1 VAL 71 -9.103 5.236 1.327 529 3HG1 VAL 71 3HG1 VAL 71 -10.144 3.840 0.949 530 1HG2 VAL 71 1HG2 VAL 71 -7.372 1.491 0.322 531 2HG2 VAL 71 2HG2 VAL 71 -7.893 1.845 1.977 532 3HG2 VAL 71 3HG2 VAL 71 -9.098 1.633 0.676 533 H GLY 72 H GLY 72 -8.818 1.675 -1.789 534 1HA GLY 72 1HA GLY 72 -10.250 2.858 -4.020 535 2HA GLY 72 2HA GLY 72 -10.280 1.166 -3.543 536 H ARG 73 H ARG 73 -11.074 1.561 -0.833 537 HA ARG 73 HA ARG 73 -13.203 2.917 -0.036 538 1HB ARG 73 1HB ARG 73 -14.330 1.824 -2.203 539 2HB ARG 73 2HB ARG 73 -14.386 0.387 -1.220 540 1HG ARG 73 1HG ARG 73 -16.065 1.292 0.146 541 2HG ARG 73 2HG ARG 73 -15.406 2.916 0.017 542 1HD ARG 73 1HD ARG 73 -17.509 2.955 -1.054 543 2HD ARG 73 2HD ARG 73 -16.293 3.108 -2.296 544 HE ARG 73 HE ARG 73 -17.903 0.694 -1.651 545 1HH1 ARG 73 2HH2 ARG 73 -16.069 2.524 -4.205 546 2HH1 ARG 73 1HH2 ARG 73 -16.663 1.511 -5.468 547 1HH2 ARG 73 2HH1 ARG 73 -18.616 -0.592 -3.428 548 2HH2 ARG 73 1HH1 ARG 73 -17.935 -0.381 -4.986 549 H ASN 74 H ASN 74 -14.592 0.481 1.088 550 HA ASN 74 HA ASN 74 -13.720 0.088 3.503 551 1HB ASN 74 1HB ASN 74 -14.653 -2.129 1.652 552 2HB ASN 74 2HB ASN 74 -14.392 -2.351 3.366 553 1HD2 ASN 74 1HD2 ASN 74 -16.580 -0.935 0.960 554 2HD2 ASN 74 2HD2 ASN 74 -17.734 -0.362 2.145 555 H ALA 75 H ALA 75 -11.600 0.213 4.082 556 HA ALA 75 HA ALA 75 -10.079 -2.247 4.237 557 1HB ALA 75 1HB ALA 75 -8.104 -1.481 2.991 558 2HB ALA 75 2HB ALA 75 -9.516 -1.493 1.902 559 3HB ALA 75 3HB ALA 75 -8.937 0.028 2.572 560 H PHE 76 H PHE 76 -10.273 1.258 4.722 561 HA PHE 76 HA PHE 76 -7.786 1.762 5.906 562 1HB PHE 76 1HB PHE 76 -9.255 3.459 5.101 563 2HB PHE 76 2HB PHE 76 -10.528 3.031 6.246 564 HD1 PHE 76 HD1 PHE 76 -10.652 4.054 8.392 565 HD2 PHE 76 HD2 PHE 76 -7.058 4.358 6.072 566 HE1 PHE 76 HE1 PHE 76 -9.955 6.025 9.758 567 HE2 PHE 76 HE2 PHE 76 -6.338 6.351 7.423 568 HZ PHE 76 HZ PHE 76 -7.838 7.221 9.233 569 H GLU 77 H GLU 77 -10.750 0.606 7.388 570 HA GLU 77 HA GLU 77 -9.863 0.846 10.122 571 1HB GLU 77 1HB GLU 77 -12.123 -0.702 8.779 572 2HB GLU 77 2HB GLU 77 -11.932 -0.508 10.540 573 1HG GLU 77 1HG GLU 77 -11.958 1.943 10.290 574 2HG GLU 77 2HG GLU 77 -12.142 1.821 8.549 575 H THR 78 H THR 78 -9.767 -1.715 7.622 576 HA THR 78 HA THR 78 -8.752 -3.753 9.374 577 HB THR 78 HB THR 78 -8.102 -3.760 6.413 578 HG1 THR 78 HG1 THR 78 -10.730 -4.101 7.434 579 1HG2 THR 78 1HG2 THR 78 -9.309 -5.868 8.225 580 2HG2 THR 78 2HG2 THR 78 -8.596 -6.074 6.616 581 3HG2 THR 78 3HG2 THR 78 -7.567 -5.659 7.970 582 H LEU 79 H LEU 79 -7.301 -0.969 7.847 583 HA LEU 79 HA LEU 79 -4.567 -1.927 7.883 584 1HB LEU 79 1HB LEU 79 -5.702 0.864 7.583 585 2HB LEU 79 2HB LEU 79 -3.987 0.500 7.544 586 HG LEU 79 HG LEU 79 -5.972 -0.877 5.681 587 1HD1 LEU 79 1HD1 LEU 79 -5.527 0.546 3.920 588 2HD1 LEU 79 2HD1 LEU 79 -5.797 1.650 5.283 589 3HD1 LEU 79 3HD1 LEU 79 -4.157 1.312 4.733 590 1HD2 LEU 79 1HD2 LEU 79 -3.877 -2.131 5.912 591 2HD2 LEU 79 2HD2 LEU 79 -3.866 -1.328 4.350 592 3HD2 LEU 79 3HD2 LEU 79 -2.933 -0.647 5.683 593 H LYS 80 H LYS 80 -6.146 0.550 9.909 594 HA LYS 80 HA LYS 80 -4.111 0.575 11.871 595 1HB LYS 80 1HB LYS 80 -5.931 1.675 13.214 596 2HB LYS 80 2HB LYS 80 -5.423 2.341 11.657 597 1HG LYS 80 1HG LYS 80 -7.602 1.010 10.814 598 2HG LYS 80 2HG LYS 80 -8.084 1.192 12.486 599 1HD LYS 80 1HD LYS 80 -8.911 2.917 10.850 600 2HD LYS 80 2HD LYS 80 -8.114 3.607 12.251 601 1HE LYS 80 1HE LYS 80 -6.556 3.066 9.692 602 2HE LYS 80 2HE LYS 80 -7.624 4.449 9.788 603 1HZ LYS 80 1HZ LYS 80 -6.039 5.570 10.890 604 2HZ LYS 80 2HZ LYS 80 -6.089 4.485 12.093 605 3HZ LYS 80 3HZ LYS 80 -5.044 4.245 10.854 606 H ALA 81 H ALA 81 -6.993 -1.465 11.663 607 HA ALA 81 HA ALA 81 -7.004 -2.645 14.163 608 1HB ALA 81 1HB ALA 81 -8.582 -3.286 12.395 609 2HB ALA 81 2HB ALA 81 -7.262 -4.036 11.459 610 3HB ALA 81 3HB ALA 81 -7.752 -4.730 13.023 611 H ALA 82 H ALA 82 -4.744 -3.348 11.479 612 HA ALA 82 HA ALA 82 -3.128 -5.120 13.273 613 1HB ALA 82 1HB ALA 82 -2.110 -5.705 11.035 614 2HB ALA 82 2HB ALA 82 -3.854 -6.041 11.115 615 3HB ALA 82 3HB ALA 82 -3.245 -4.593 10.281 616 H GLY 83 H GLY 83 -3.149 -2.185 13.603 617 1HA GLY 83 1HA GLY 83 -1.835 -0.444 13.789 618 2HA GLY 83 2HA GLY 83 -0.484 -1.559 14.070 619 H VAL 84 H VAL 84 -2.231 -1.249 10.937 620 HA VAL 84 HA VAL 84 0.353 -0.756 9.774 621 HB VAL 84 HB VAL 84 -2.321 -1.066 8.382 622 1HG1 VAL 84 1HG1 VAL 84 0.505 -1.496 7.354 623 2HG1 VAL 84 2HG1 VAL 84 -0.989 -1.819 6.465 624 3HG1 VAL 84 3HG1 VAL 84 -0.564 -0.154 6.886 625 1HG2 VAL 84 1HG2 VAL 84 -1.922 -2.959 9.784 626 2HG2 VAL 84 2HG2 VAL 84 -1.373 -3.479 8.164 627 3HG2 VAL 84 3HG2 VAL 84 -0.215 -3.009 9.423 628 H LYS 85 H LYS 85 1.290 1.087 9.423 629 HA LYS 85 HA LYS 85 -0.258 3.540 9.539 630 1HB LYS 85 1HB LYS 85 2.616 2.768 9.537 631 2HB LYS 85 2HB LYS 85 2.304 4.216 8.577 632 1HG LYS 85 1HG LYS 85 1.339 5.385 10.367 633 2HG LYS 85 2HG LYS 85 1.238 3.912 11.380 634 1HD LYS 85 1HD LYS 85 3.730 3.795 11.412 635 2HD LYS 85 2HD LYS 85 3.786 5.348 10.553 636 1HE LYS 85 1HE LYS 85 2.630 6.482 12.355 637 2HE LYS 85 2HE LYS 85 2.279 4.949 13.171 638 1HZ LYS 85 1HZ LYS 85 4.055 6.037 14.226 639 2HZ LYS 85 2HZ LYS 85 4.643 4.670 13.542 640 3HZ LYS 85 3HZ LYS 85 4.938 6.157 12.841 641 H VAL 86 H VAL 86 -0.082 5.155 7.636 642 HA VAL 86 HA VAL 86 0.046 3.824 4.990 643 HB VAL 86 HB VAL 86 -2.386 5.345 6.025 644 1HG1 VAL 86 1HG1 VAL 86 -2.002 5.619 3.610 645 2HG1 VAL 86 2HG1 VAL 86 -1.830 3.873 3.407 646 3HG1 VAL 86 3HG1 VAL 86 -3.400 4.571 3.899 647 1HG2 VAL 86 1HG2 VAL 86 -1.976 2.341 5.645 648 2HG2 VAL 86 2HG2 VAL 86 -2.431 3.190 7.127 649 3HG2 VAL 86 3HG2 VAL 86 -3.575 3.147 5.803 650 H TYR 87 H TYR 87 0.917 5.273 3.559 651 HA TYR 87 HA TYR 87 1.265 8.088 4.378 652 1HB TYR 87 1HB TYR 87 3.020 6.049 3.058 653 2HB TYR 87 2HB TYR 87 3.153 7.667 2.455 654 HD1 TYR 87 HD1 TYR 87 4.675 9.064 3.474 655 HD2 TYR 87 HD2 TYR 87 3.006 5.896 5.851 656 HE1 TYR 87 HE1 TYR 87 6.316 9.567 5.218 657 HE2 TYR 87 HE2 TYR 87 4.629 6.423 7.655 658 HH TYR 87 HH TYR 87 7.427 8.440 7.083 659 H ARG 88 H ARG 88 1.363 9.591 2.683 660 HA ARG 88 HA ARG 88 -0.444 9.185 0.373 661 1HB ARG 88 1HB ARG 88 -0.421 11.366 1.706 662 2HB ARG 88 2HB ARG 88 1.293 11.498 1.361 663 1HG ARG 88 1HG ARG 88 0.629 12.972 -0.140 664 2HG ARG 88 2HG ARG 88 0.476 11.589 -1.191 665 1HD ARG 88 1HD ARG 88 -1.901 11.558 -0.992 666 2HD ARG 88 2HD ARG 88 -1.883 12.633 0.405 667 HE ARG 88 HE ARG 88 -1.553 13.375 -2.427 668 1HH1 ARG 88 2HH2 ARG 88 -1.392 14.578 0.954 669 2HH1 ARG 88 1HH2 ARG 88 -1.375 16.243 0.437 670 1HH2 ARG 88 2HH1 ARG 88 -1.541 15.507 -3.003 671 2HH2 ARG 88 1HH1 ARG 88 -1.528 16.810 -1.853 672 H PHE 89 H PHE 89 0.439 9.225 -1.761 673 HA PHE 89 HA PHE 89 3.167 9.952 -2.139 674 1HB PHE 89 1HB PHE 89 4.025 7.964 -2.778 675 2HB PHE 89 2HB PHE 89 2.615 7.190 -2.140 676 HD1 PHE 89 HD1 PHE 89 4.455 7.555 -5.255 677 HD2 PHE 89 HD2 PHE 89 0.508 7.078 -3.558 678 HE1 PHE 89 HE1 PHE 89 3.535 7.046 -7.444 679 HE2 PHE 89 HE2 PHE 89 -0.398 6.495 -5.815 680 HZ PHE 89 HZ PHE 89 1.121 6.573 -7.780 681 H GLU 90 H GLU 90 3.293 10.761 -4.497 682 HA GLU 90 HA GLU 90 0.667 10.861 -5.840 683 1HB GLU 90 1HB GLU 90 0.734 12.696 -4.219 684 2HB GLU 90 2HB GLU 90 2.095 13.396 -5.102 685 1HG GLU 90 1HG GLU 90 0.769 13.914 -7.000 686 2HG GLU 90 2HG GLU 90 -0.458 12.715 -6.585 687 H GLY 91 H GLY 91 1.659 9.578 -7.341 688 1HA GLY 91 1HA GLY 91 2.340 9.416 -9.587 689 2HA GLY 91 2HA GLY 91 2.957 11.068 -9.512 690 H GLY 92 H GLY 92 3.867 7.807 -9.679 691 1HA GLY 92 1HA GLY 92 6.619 8.089 -9.756 692 2HA GLY 92 2HA GLY 92 6.203 7.807 -8.055 693 H THR 93 H THR 93 7.716 6.021 -9.737 694 HA THR 93 HA THR 93 5.989 3.736 -10.198 695 HB THR 93 HB THR 93 8.165 2.669 -10.776 696 HG1 THR 93 HG1 THR 93 9.659 4.914 -10.941 697 1HG2 THR 93 1HG2 THR 93 7.746 5.328 -12.219 698 2HG2 THR 93 2HG2 THR 93 8.513 3.853 -12.865 699 3HG2 THR 93 3HG2 THR 93 6.775 3.866 -12.476 700 H VAL 94 H VAL 94 6.713 1.508 -9.008 701 HA VAL 94 HA VAL 94 6.503 1.829 -6.327 702 HB VAL 94 HB VAL 94 7.834 -0.382 -7.897 703 1HG1 VAL 94 1HG1 VAL 94 7.344 -0.383 -4.898 704 2HG1 VAL 94 2HG1 VAL 94 7.891 -1.733 -5.926 705 3HG1 VAL 94 3HG1 VAL 94 8.933 -0.355 -5.702 706 1HG2 VAL 94 1HG2 VAL 94 5.790 -1.467 -7.493 707 2HG2 VAL 94 2HG2 VAL 94 5.295 -0.307 -6.232 708 3HG2 VAL 94 3HG2 VAL 94 5.325 0.178 -7.937 709 H GLN 95 H GLN 95 9.757 2.087 -7.897 710 HA GLN 95 HA GLN 95 11.127 2.198 -5.482 711 1HB GLN 95 1HB GLN 95 11.862 2.382 -8.140 712 2HB GLN 95 2HB GLN 95 12.076 4.070 -7.615 713 1HG GLN 95 1HG GLN 95 13.325 2.383 -5.648 714 2HG GLN 95 2HG GLN 95 13.797 1.792 -7.234 715 1HE2 GLN 95 1HE2 GLN 95 14.593 4.039 -4.836 716 2HE2 GLN 95 2HE2 GLN 95 15.526 5.153 -5.796 717 H GLU 96 H GLU 96 9.259 4.743 -6.934 718 HA GLU 96 HA GLU 96 10.546 7.023 -5.732 719 1HB GLU 96 1HB GLU 96 7.916 6.460 -7.126 720 2HB GLU 96 2HB GLU 96 8.262 8.040 -6.458 721 1HG GLU 96 1HG GLU 96 10.153 6.736 -8.462 722 2HG GLU 96 2HG GLU 96 8.713 7.668 -8.923 723 H ALA 97 H ALA 97 7.486 5.103 -5.143 724 HA ALA 97 HA ALA 97 6.563 6.467 -2.957 725 1HB ALA 97 1HB ALA 97 5.250 4.682 -3.739 726 2HB ALA 97 2HB ALA 97 6.631 3.567 -3.854 727 3HB ALA 97 3HB ALA 97 5.948 3.920 -2.287 728 H ILE 98 H ILE 98 9.284 4.221 -3.069 729 HA ILE 98 HA ILE 98 9.643 4.025 -0.177 730 HB ILE 98 HB ILE 98 11.720 3.267 -2.243 731 1HG1 ILE 98 1HG1 ILE 98 9.933 2.592 -3.312 732 2HG1 ILE 98 2HG1 ILE 98 10.735 1.152 -2.674 733 1HG2 ILE 98 1HG2 ILE 98 12.153 1.367 -0.702 734 2HG2 ILE 98 2HG2 ILE 98 12.294 2.920 0.146 735 3HG2 ILE 98 3HG2 ILE 98 10.837 1.920 0.365 736 1HD1 ILE 98 1HD1 ILE 98 8.313 0.933 -2.505 737 2HD1 ILE 98 2HD1 ILE 98 9.084 0.953 -0.890 738 3HD1 ILE 98 3HD1 ILE 98 8.180 2.381 -1.483 739 H ASP 99 H ASP 99 11.354 5.414 -2.954 740 HA ASP 99 HA ASP 99 13.599 6.472 -1.571 741 1HB ASP 99 1HB ASP 99 13.425 5.940 -3.973 742 2HB ASP 99 2HB ASP 99 12.367 7.281 -4.250 743 H ALA 100 H ALA 100 10.427 7.676 -2.369 744 HA ALA 100 HA ALA 100 10.910 10.372 -1.342 745 1HB ALA 100 1HB ALA 100 8.564 10.735 -1.849 746 2HB ALA 100 2HB ALA 100 9.323 9.862 -3.185 747 3HB ALA 100 3HB ALA 100 8.300 8.980 -2.058 748 H PHE 101 H PHE 101 9.071 7.486 -0.094 749 HA PHE 101 HA PHE 101 8.356 8.592 2.414 750 1HB PHE 101 1HB PHE 101 7.277 6.615 1.918 751 2HB PHE 101 2HB PHE 101 8.752 5.809 1.344 752 HD1 PHE 101 HD1 PHE 101 10.114 4.462 2.724 753 HD2 PHE 101 HD2 PHE 101 6.859 6.754 4.362 754 HE1 PHE 101 HE1 PHE 101 10.497 3.437 4.958 755 HE2 PHE 101 HE2 PHE 101 7.196 5.641 6.579 756 HZ PHE 101 HZ PHE 101 9.032 4.034 6.882 757 H SER 102 H SER 102 11.250 6.717 1.552 758 HA SER 102 HA SER 102 12.183 6.401 4.185 759 1HB SER 102 1HB SER 102 14.230 5.563 3.157 760 2HB SER 102 2HB SER 102 12.802 4.975 2.288 761 HG SER 102 HG SER 102 13.129 6.479 0.705 762 H GLU 103 H GLU 103 12.913 8.892 1.741 763 HA GLU 103 HA GLU 103 14.664 10.326 3.659 764 1HB GLU 103 1HB GLU 103 14.097 10.791 0.693 765 2HB GLU 103 2HB GLU 103 15.400 11.475 1.628 766 1HG GLU 103 1HG GLU 103 15.848 8.728 1.996 767 2HG GLU 103 2HG GLU 103 15.087 8.733 0.442 768 H GLY 104 H GLY 104 11.887 10.103 4.098 769 1HA GLY 104 1HA GLY 104 10.070 11.316 4.688 770 2HA GLY 104 2HA GLY 104 11.344 12.394 5.343 771 H ARG 105 H ARG 105 10.363 11.691 1.980 772 HA ARG 105 HA ARG 105 9.189 14.450 1.706 773 1HB ARG 105 1HB ARG 105 10.442 12.553 -0.317 774 2HB ARG 105 2HB ARG 105 9.487 13.986 -0.727 775 1HG ARG 105 1HG ARG 105 11.063 15.464 0.362 776 2HG ARG 105 2HG ARG 105 12.044 14.088 0.948 777 1HD ARG 105 1HD ARG 105 12.696 13.458 -1.234 778 2HD ARG 105 2HD ARG 105 11.432 14.451 -1.984 779 HE ARG 105 HE ARG 105 13.311 15.984 -0.400 780 1HH1 ARG 105 2HH2 ARG 105 12.782 14.470 -3.569 781 2HH1 ARG 105 1HH2 ARG 105 13.465 15.751 -4.497 782 1HH2 ARG 105 2HH1 ARG 105 14.597 17.547 -1.617 783 2HH2 ARG 105 1HH1 ARG 105 14.615 17.456 -3.364 784 H LEU 106 H LEU 106 7.801 12.058 2.957 785 HA LEU 106 HA LEU 106 5.537 12.460 1.213 786 1HB LEU 106 1HB LEU 106 6.406 9.699 2.154 787 2HB LEU 106 2HB LEU 106 4.791 10.097 1.609 788 HG LEU 106 HG LEU 106 7.312 10.195 -0.037 789 1HD1 LEU 106 1HD1 LEU 106 6.570 7.915 0.479 790 2HD1 LEU 106 2HD1 LEU 106 4.956 8.256 -0.126 791 3HD1 LEU 106 3HD1 LEU 106 6.336 8.232 -1.227 792 1HD2 LEU 106 1HD2 LEU 106 4.429 10.878 -0.740 793 2HD2 LEU 106 2HD2 LEU 106 5.880 11.720 -1.259 794 3HD2 LEU 106 3HD2 LEU 106 5.476 10.189 -2.006 795 H GLU 107 H GLU 107 3.524 11.560 2.549 796 HA GLU 107 HA GLU 107 3.783 12.756 5.270 797 1HB GLU 107 1HB GLU 107 1.504 12.797 3.244 798 2HB GLU 107 2HB GLU 107 1.525 13.648 4.794 799 1HG GLU 107 1HG GLU 107 3.556 14.179 2.570 800 2HG GLU 107 2HG GLU 107 1.999 15.003 2.667 801 H GLU 108 H GLU 108 2.462 11.674 6.966 802 HA GLU 108 HA GLU 108 1.532 8.967 6.353 803 1HB GLU 108 1HB GLU 108 2.531 10.234 8.618 804 2HB GLU 108 2HB GLU 108 0.791 10.131 8.962 805 1HG GLU 108 1HG GLU 108 0.892 7.685 8.532 806 2HG GLU 108 2HG GLU 108 2.574 7.828 8.077 807 H LEU 109 H LEU 109 -0.382 8.576 5.562 808 HA LEU 109 HA LEU 109 -2.450 10.685 5.361 809 1HB LEU 109 1HB LEU 109 -1.516 9.737 3.238 810 2HB LEU 109 2HB LEU 109 -2.214 8.183 3.708 811 HG LEU 109 HG LEU 109 -4.445 9.527 3.951 812 1HD1 LEU 109 1HD1 LEU 109 -3.456 11.813 3.799 813 2HD1 LEU 109 2HD1 LEU 109 -2.979 11.454 2.126 814 3HD1 LEU 109 3HD1 LEU 109 -4.693 11.515 2.595 815 1HD2 LEU 109 1HD2 LEU 109 -4.098 7.918 2.200 816 2HD2 LEU 109 2HD2 LEU 109 -4.983 9.315 1.586 817 3HD2 LEU 109 3HD2 LEU 109 -3.253 9.127 1.207 818 H THR 110 H THR 110 -2.481 9.962 7.818 819 HA THR 110 HA THR 110 -3.807 7.414 8.287 820 HB THR 110 HB THR 110 -3.385 8.350 10.727 821 HG1 THR 110 HG1 THR 110 -1.552 9.777 10.677 822 1HG2 THR 110 1HG2 THR 110 -1.038 7.575 10.478 823 2HG2 THR 110 2HG2 THR 110 -2.184 6.499 9.667 824 3HG2 THR 110 3HG2 THR 110 -1.215 7.648 8.715 825 H THR 111 H THR 111 -5.352 9.130 6.788 826 HA THR 111 HA THR 111 -7.875 8.932 7.476 827 HB THR 111 HB THR 111 -7.630 10.256 9.526 828 HG1 THR 111 HG1 THR 111 -9.291 11.597 9.136 829 1HG2 THR 111 1HG2 THR 111 -7.151 12.660 9.484 830 2HG2 THR 111 2HG2 THR 111 -5.740 11.760 8.912 831 3HG2 THR 111 3HG2 THR 111 -6.803 12.587 7.751 832 H PHE 112 H PHE 112 -9.188 10.364 5.967 833 HA PHE 112 HA PHE 112 -7.982 12.136 4.159 834 1HB PHE 112 1HB PHE 112 -8.494 10.748 2.069 835 2HB PHE 112 2HB PHE 112 -7.041 10.300 2.937 836 HD1 PHE 112 HD1 PHE 112 -6.805 8.181 4.025 837 HD2 PHE 112 HD2 PHE 112 -10.610 9.315 2.324 838 HE1 PHE 112 HE1 PHE 112 -7.709 5.981 4.587 839 HE2 PHE 112 HE2 PHE 112 -11.512 7.072 2.850 840 HZ PHE 112 HZ PHE 112 -10.093 5.406 4.031 841 H THR 113 H THR 113 -9.700 12.827 2.619 842 HA THR 113 HA THR 113 -12.397 12.461 3.860 843 HB THR 113 HB THR 113 -11.439 14.613 1.995 844 HG1 THR 113 HG1 THR 113 -11.482 14.888 4.827 845 1HG2 THR 113 1HG2 THR 113 -13.636 14.574 4.111 846 2HG2 THR 113 2HG2 THR 113 -13.205 15.967 3.104 847 3HG2 THR 113 3HG2 THR 113 -13.886 14.521 2.347 848 H ARG 114 H ARG 114 -14.060 11.822 2.547 849 HA ARG 114 HA ARG 114 -13.802 11.957 -0.367 850 1HB ARG 114 1HB ARG 114 -12.899 9.808 -0.017 851 2HB ARG 114 2HB ARG 114 -14.093 9.363 1.190 852 1HG ARG 114 1HG ARG 114 -14.491 8.198 -0.908 853 2HG ARG 114 2HG ARG 114 -15.868 9.199 -0.465 854 1HD ARG 114 1HD ARG 114 -15.457 10.761 -2.209 855 2HD ARG 114 2HD ARG 114 -13.765 10.269 -2.358 856 HE ARG 114 HE ARG 114 -14.291 8.588 -3.720 857 1HH1 ARG 114 2HH2 ARG 114 -17.465 9.749 -2.390 858 2HH1 ARG 114 1HH2 ARG 114 -18.363 8.576 -3.262 859 1HH2 ARG 114 2HH1 ARG 114 -15.618 7.174 -4.945 860 2HH2 ARG 114 1HH1 ARG 114 -17.336 7.102 -4.701 861 H GLU 115 H GLU 115 -15.532 12.881 -1.051 862 HA GLU 115 HA GLU 115 -17.860 13.207 0.644 863 1HB GLU 115 1HB GLU 115 -16.957 14.938 -0.910 864 2HB GLU 115 2HB GLU 115 -17.265 13.883 -2.282 865 1HG GLU 115 1HG GLU 115 -19.706 13.939 -1.777 866 2HG GLU 115 2HG GLU 115 -19.390 14.869 -0.307 867 H GLY 116 H GLY 116 -18.646 11.177 1.009 868 1HA GLY 116 1HA GLY 116 -20.247 9.926 -1.059 869 2HA GLY 116 2HA GLY 116 -18.971 8.896 -0.366 Start of MODEL 8 1 1H MET 1 H1 MET 1 11.134 1.771 10.527 2 HA MET 1 HA MET 1 12.038 -0.106 9.385 3 1HB MET 1 1HB MET 1 12.668 -1.107 12.192 4 2HB MET 1 2HB MET 1 12.671 -2.140 10.754 5 1HG MET 1 1HG MET 1 14.917 -1.450 11.065 6 2HG MET 1 2HG MET 1 14.286 -0.595 9.660 7 1HE MET 1 1HE MET 1 15.948 -0.419 13.048 8 2HE MET 1 2HE MET 1 15.573 1.197 13.680 9 3HE MET 1 3HE MET 1 14.300 -0.045 13.604 10 H ALA 2 H ALA 2 10.211 -0.876 8.496 11 HA ALA 2 HA ALA 2 8.499 -2.612 9.855 12 1HB ALA 2 1HB ALA 2 6.368 -1.363 9.512 13 2HB ALA 2 2HB ALA 2 7.409 -0.484 10.645 14 3HB ALA 2 3HB ALA 2 7.312 0.046 8.956 15 H ARG 3 H ARG 3 7.383 -3.796 8.301 16 HA ARG 3 HA ARG 3 8.259 -3.661 5.603 17 1HB ARG 3 1HB ARG 3 6.321 -5.328 7.200 18 2HB ARG 3 2HB ARG 3 6.226 -5.385 5.433 19 1HG ARG 3 1HG ARG 3 8.353 -6.295 5.188 20 2HG ARG 3 2HG ARG 3 8.946 -5.547 6.671 21 1HD ARG 3 1HD ARG 3 9.020 -7.707 7.210 22 2HD ARG 3 2HD ARG 3 7.546 -7.166 7.997 23 HE ARG 3 HE ARG 3 6.253 -8.255 6.189 24 1HH1 ARG 3 2HH2 ARG 3 9.644 -9.321 6.398 25 2HH1 ARG 3 1HH2 ARG 3 9.273 -10.998 6.229 26 1HH2 ARG 3 2HH1 ARG 3 5.816 -10.381 5.730 27 2HH2 ARG 3 1HH1 ARG 3 7.061 -11.616 5.818 28 H VAL 4 H VAL 4 7.586 -2.416 4.028 29 HA VAL 4 HA VAL 4 4.940 -1.125 4.359 30 HB VAL 4 HB VAL 4 7.342 0.086 4.234 31 1HG1 VAL 4 1HG1 VAL 4 6.779 -0.053 1.326 32 2HG1 VAL 4 2HG1 VAL 4 7.802 1.182 2.094 33 3HG1 VAL 4 3HG1 VAL 4 8.227 -0.488 2.264 34 1HG2 VAL 4 1HG2 VAL 4 5.084 1.346 2.636 35 2HG2 VAL 4 2HG2 VAL 4 5.014 1.148 4.382 36 3HG2 VAL 4 3HG2 VAL 4 6.299 2.165 3.674 37 H ALA 5 H ALA 5 3.247 -1.288 2.942 38 HA ALA 5 HA ALA 5 3.886 -3.342 0.856 39 1HB ALA 5 1HB ALA 5 1.414 -3.522 0.715 40 2HB ALA 5 2HB ALA 5 2.082 -3.965 2.286 41 3HB ALA 5 3HB ALA 5 1.267 -2.389 2.077 42 H ILE 6 H ILE 6 4.429 -2.177 -1.101 43 HA ILE 6 HA ILE 6 3.104 0.453 -1.504 44 HB ILE 6 HB ILE 6 5.258 -0.648 -3.232 45 1HG1 ILE 6 1HG1 ILE 6 6.516 1.289 -1.874 46 2HG1 ILE 6 2HG1 ILE 6 5.458 0.720 -0.592 47 1HG2 ILE 6 1HG2 ILE 6 4.199 2.151 -2.883 48 2HG2 ILE 6 2HG2 ILE 6 5.507 1.622 -3.962 49 3HG2 ILE 6 3HG2 ILE 6 3.866 1.072 -4.254 50 1HD1 ILE 6 1HD1 ILE 6 6.366 -1.565 -0.830 51 2HD1 ILE 6 2HD1 ILE 6 7.313 -1.074 -2.249 52 3HD1 ILE 6 3HD1 ILE 6 7.700 -0.447 -0.648 53 HA PRO 7 HA PRO 7 0.256 -1.887 -4.144 54 1HB PRO 7 1HB PRO 7 -1.297 0.277 -4.827 55 2HB PRO 7 2HB PRO 7 -1.393 -0.530 -3.222 56 1HG PRO 7 1HG PRO 7 -0.169 2.072 -4.081 57 2HG PRO 7 2HG PRO 7 -0.897 1.624 -2.507 58 1HD PRO 7 1HD PRO 7 1.779 1.671 -3.143 59 2HD PRO 7 2HD PRO 7 1.045 0.867 -1.706 60 H SER 8 H SER 8 1.107 -2.496 -6.051 61 HA SER 8 HA SER 8 2.041 -0.464 -8.036 62 1HB SER 8 1HB SER 8 3.752 -1.959 -7.208 63 2HB SER 8 2HB SER 8 2.732 -3.364 -7.444 64 HG SER 8 HG SER 8 4.234 -3.209 -9.081 65 H VAL 9 H VAL 9 1.703 -1.418 -10.308 66 HA VAL 9 HA VAL 9 -0.567 -3.291 -10.556 67 HB VAL 9 HB VAL 9 -1.469 -1.979 -12.462 68 1HG1 VAL 9 1HG1 VAL 9 -2.581 -0.207 -11.243 69 2HG1 VAL 9 2HG1 VAL 9 -2.343 -1.565 -10.098 70 3HG1 VAL 9 3HG1 VAL 9 -1.259 -0.120 -10.055 71 1HG2 VAL 9 1HG2 VAL 9 0.461 -0.701 -13.229 72 2HG2 VAL 9 2HG2 VAL 9 -0.806 0.418 -12.758 73 3HG2 VAL 9 3HG2 VAL 9 0.563 0.172 -11.687 74 H GLY 10 H GLY 10 2.267 -3.797 -10.600 75 1HA GLY 10 1HA GLY 10 2.396 -5.349 -12.989 76 2HA GLY 10 2HA GLY 10 3.531 -3.983 -13.020 77 H LYS 11 H LYS 11 5.140 -5.953 -12.910 78 HA LYS 11 HA LYS 11 5.647 -6.726 -10.086 79 1HB LYS 11 1HB LYS 11 6.174 -9.006 -10.728 80 2HB LYS 11 2HB LYS 11 4.476 -8.569 -10.893 81 1HG LYS 11 1HG LYS 11 4.841 -8.278 -13.369 82 2HG LYS 11 2HG LYS 11 6.503 -8.855 -13.124 83 1HD LYS 11 1HD LYS 11 5.545 -11.009 -12.195 84 2HD LYS 11 2HD LYS 11 3.924 -10.383 -12.519 85 1HE LYS 11 1HE LYS 11 4.560 -11.832 -14.353 86 2HE LYS 11 2HE LYS 11 4.495 -10.161 -14.929 87 1HZ LYS 11 1HZ LYS 11 7.015 -10.189 -14.457 88 2HZ LYS 11 2HZ LYS 11 6.893 -11.798 -14.393 89 3HZ LYS 11 3HZ LYS 11 6.483 -11.022 -15.769 90 H ASP 12 H ASP 12 6.906 -4.744 -10.542 91 HA ASP 12 HA ASP 12 9.670 -5.564 -10.543 92 1HB ASP 12 1HB ASP 12 8.595 -4.094 -12.885 93 2HB ASP 12 2HB ASP 12 9.876 -3.210 -12.085 94 H LEU 13 H LEU 13 10.923 -3.946 -9.584 95 HA LEU 13 HA LEU 13 9.592 -2.300 -7.585 96 1HB LEU 13 1HB LEU 13 11.904 -3.572 -7.692 97 2HB LEU 13 2HB LEU 13 12.470 -2.094 -8.450 98 HG LEU 13 HG LEU 13 13.105 -2.205 -6.147 99 1HD1 LEU 13 1HD1 LEU 13 12.485 -0.055 -5.394 100 2HD1 LEU 13 2HD1 LEU 13 12.435 0.000 -7.182 101 3HD1 LEU 13 3HD1 LEU 13 10.932 -0.113 -6.244 102 1HD2 LEU 13 1HD2 LEU 13 11.511 -2.193 -4.275 103 2HD2 LEU 13 2HD2 LEU 13 10.177 -2.435 -5.414 104 3HD2 LEU 13 3HD2 LEU 13 11.425 -3.673 -5.243 105 H SER 14 H SER 14 10.469 -1.838 -10.933 106 HA SER 14 HA SER 14 10.046 1.097 -10.669 107 1HB SER 14 1HB SER 14 10.810 0.793 -13.059 108 2HB SER 14 2HB SER 14 12.043 0.566 -11.802 109 HG SER 14 HG SER 14 12.112 -1.081 -13.417 110 H SER 15 H SER 15 7.801 -0.963 -10.420 111 HA SER 15 HA SER 15 6.365 -0.353 -12.924 112 1HB SER 15 1HB SER 15 5.407 -1.779 -10.411 113 2HB SER 15 2HB SER 15 4.552 -1.761 -11.963 114 HG SER 15 HG SER 15 6.969 -2.953 -11.222 115 H MET 16 H MET 16 3.944 0.567 -12.587 116 HA MET 16 HA MET 16 4.334 3.150 -11.294 117 1HB MET 16 1HB MET 16 2.389 1.807 -13.139 118 2HB MET 16 2HB MET 16 1.668 2.981 -12.084 119 1HG MET 16 1HG MET 16 4.160 3.979 -13.300 120 2HG MET 16 2HG MET 16 2.994 3.451 -14.492 121 1HE MET 16 1HE MET 16 1.337 4.869 -11.174 122 2HE MET 16 2HE MET 16 3.008 5.474 -11.091 123 3HE MET 16 3HE MET 16 1.657 6.602 -11.335 124 H VAL 17 H VAL 17 3.594 3.842 -9.366 125 HA VAL 17 HA VAL 17 2.245 2.008 -7.578 126 HB VAL 17 HB VAL 17 3.026 4.918 -7.193 127 1HG1 VAL 17 1HG1 VAL 17 1.344 4.333 -5.486 128 2HG1 VAL 17 2HG1 VAL 17 2.279 2.875 -5.074 129 3HG1 VAL 17 3HG1 VAL 17 2.979 4.492 -4.800 130 1HG2 VAL 17 1HG2 VAL 17 4.845 3.339 -7.640 131 2HG2 VAL 17 2HG2 VAL 17 4.936 4.075 -6.062 132 3HG2 VAL 17 3HG2 VAL 17 4.365 2.383 -6.239 133 H SER 18 H SER 18 0.208 1.938 -7.059 134 HA SER 18 HA SER 18 -1.775 3.142 -8.870 135 1HB SER 18 1HB SER 18 -1.720 0.697 -8.187 136 2HB SER 18 2HB SER 18 -2.033 1.183 -6.539 137 HG SER 18 HG SER 18 -4.034 0.790 -7.254 138 H ASP 19 H ASP 19 -3.476 4.539 -8.281 139 HA ASP 19 HA ASP 19 -2.776 6.169 -5.972 140 1HB ASP 19 1HB ASP 19 -5.016 6.406 -8.025 141 2HB ASP 19 2HB ASP 19 -4.729 7.613 -6.784 142 H ARG 20 H ARG 20 -3.739 3.519 -5.308 143 HA ARG 20 HA ARG 20 -6.000 3.916 -3.540 144 1HB ARG 20 1HB ARG 20 -7.014 1.834 -5.074 145 2HB ARG 20 2HB ARG 20 -7.665 3.462 -4.986 146 1HG ARG 20 1HG ARG 20 -6.427 4.109 -6.991 147 2HG ARG 20 2HG ARG 20 -5.692 2.519 -7.092 148 1HD ARG 20 1HD ARG 20 -7.580 1.560 -7.951 149 2HD ARG 20 2HD ARG 20 -8.699 2.673 -7.121 150 HE ARG 20 HE ARG 20 -7.264 3.007 -9.658 151 1HH1 ARG 20 2HH2 ARG 20 -9.338 4.644 -7.244 152 2HH1 ARG 20 1HH2 ARG 20 -9.157 6.207 -8.017 153 1HH2 ARG 20 2HH1 ARG 20 -7.355 5.034 -10.776 154 2HH2 ARG 20 1HH1 ARG 20 -8.030 6.429 -10.015 155 H PHE 21 H PHE 21 -5.230 2.679 -1.869 156 HA PHE 21 HA PHE 21 -3.461 0.482 -2.287 157 1HB PHE 21 1HB PHE 21 -3.562 1.752 -0.179 158 2HB PHE 21 2HB PHE 21 -5.287 1.454 -0.040 159 HD1 PHE 21 HD1 PHE 21 -5.744 0.147 1.869 160 HD2 PHE 21 HD2 PHE 21 -2.423 -0.832 -0.725 161 HE1 PHE 21 HE1 PHE 21 -5.190 -1.836 3.258 162 HE2 PHE 21 HE2 PHE 21 -1.967 -2.832 0.541 163 HZ PHE 21 HZ PHE 21 -3.307 -3.316 2.663 164 H ALA 22 H ALA 22 -6.910 0.333 -1.255 165 HA ALA 22 HA ALA 22 -6.771 -2.464 -1.265 166 1HB ALA 22 1HB ALA 22 -9.460 -1.145 -1.667 167 2HB ALA 22 2HB ALA 22 -9.015 -2.499 -0.642 168 3HB ALA 22 3HB ALA 22 -8.557 -0.856 -0.162 169 H ARG 23 H ARG 23 -7.312 -0.315 -3.926 170 HA ARG 23 HA ARG 23 -7.747 -2.493 -5.858 171 1HB ARG 23 1HB ARG 23 -8.506 0.383 -5.732 172 2HB ARG 23 2HB ARG 23 -8.073 -0.352 -7.281 173 1HG ARG 23 1HG ARG 23 -10.247 -1.268 -5.407 174 2HG ARG 23 2HG ARG 23 -10.424 -0.388 -6.905 175 1HD ARG 23 1HD ARG 23 -9.696 -3.269 -6.551 176 2HD ARG 23 2HD ARG 23 -11.009 -2.575 -7.485 177 HE ARG 23 HE ARG 23 -8.142 -2.821 -8.261 178 1HH1 ARG 23 2HH2 ARG 23 -11.154 -1.222 -9.289 179 2HH1 ARG 23 1HH2 ARG 23 -10.952 -1.676 -10.928 180 1HH2 ARG 23 2HH1 ARG 23 -7.776 -3.161 -10.466 181 2HH2 ARG 23 1HH1 ARG 23 -8.887 -2.515 -11.645 182 H ALA 24 H ALA 24 -5.357 -2.965 -5.241 183 HA ALA 24 HA ALA 24 -3.937 -1.651 -7.378 184 1HB ALA 24 1HB ALA 24 -3.031 -0.687 -5.277 185 2HB ALA 24 2HB ALA 24 -2.578 -2.282 -4.708 186 3HB ALA 24 3HB ALA 24 -1.812 -1.629 -6.166 187 H GLU 25 H GLU 25 -2.259 -3.368 -8.147 188 HA GLU 25 HA GLU 25 -3.742 -5.942 -7.898 189 1HB GLU 25 1HB GLU 25 -2.340 -4.573 -10.186 190 2HB GLU 25 2HB GLU 25 -2.598 -6.338 -10.193 191 1HG GLU 25 1HG GLU 25 -5.022 -5.915 -9.640 192 2HG GLU 25 2HG GLU 25 -4.714 -4.192 -9.941 193 H TYR 26 H TYR 26 -0.744 -4.546 -7.082 194 HA TYR 26 HA TYR 26 0.232 -7.199 -6.507 195 1HB TYR 26 1HB TYR 26 1.774 -5.093 -8.185 196 2HB TYR 26 2HB TYR 26 2.515 -6.562 -7.542 197 HD1 TYR 26 HD1 TYR 26 0.099 -5.112 -9.878 198 HD2 TYR 26 HD2 TYR 26 2.332 -8.647 -8.898 199 HE1 TYR 26 HE1 TYR 26 -0.423 -6.011 -12.102 200 HE2 TYR 26 HE2 TYR 26 1.781 -9.598 -11.149 201 HH TYR 26 HH TYR 26 -0.435 -7.897 -13.389 202 H PHE 27 H PHE 27 1.746 -7.079 -4.755 203 HA PHE 27 HA PHE 27 1.758 -4.427 -3.373 204 1HB PHE 27 1HB PHE 27 0.791 -7.044 -2.192 205 2HB PHE 27 2HB PHE 27 1.212 -5.585 -1.282 206 HD1 PHE 27 HD1 PHE 27 -1.332 -7.209 -3.288 207 HD2 PHE 27 HD2 PHE 27 0.047 -3.491 -1.760 208 HE1 PHE 27 HE1 PHE 27 -3.544 -6.149 -3.878 209 HE2 PHE 27 HE2 PHE 27 -2.160 -2.424 -2.266 210 HZ PHE 27 HZ PHE 27 -3.948 -3.786 -3.358 211 H ILE 28 H ILE 28 3.756 -3.924 -3.216 212 HA ILE 28 HA ILE 28 5.887 -5.949 -3.250 213 HB ILE 28 HB ILE 28 5.765 -2.924 -3.572 214 1HG1 ILE 28 1HG1 ILE 28 6.497 -3.394 -5.879 215 2HG1 ILE 28 2HG1 ILE 28 6.562 -5.115 -5.568 216 1HG2 ILE 28 1HG2 ILE 28 7.924 -3.702 -2.469 217 2HG2 ILE 28 2HG2 ILE 28 8.194 -4.681 -3.933 218 3HG2 ILE 28 3HG2 ILE 28 8.142 -2.932 -4.021 219 1HD1 ILE 28 1HD1 ILE 28 4.595 -4.318 -6.879 220 2HD1 ILE 28 2HD1 ILE 28 4.206 -5.325 -5.528 221 3HD1 ILE 28 3HD1 ILE 28 3.981 -3.532 -5.431 222 H ILE 29 H ILE 29 6.565 -6.688 -1.316 223 HA ILE 29 HA ILE 29 6.061 -5.052 1.115 224 HB ILE 29 HB ILE 29 6.411 -8.037 0.784 225 1HG1 ILE 29 1HG1 ILE 29 4.046 -6.223 1.312 226 2HG1 ILE 29 2HG1 ILE 29 4.369 -7.250 -0.085 227 1HG2 ILE 29 1HG2 ILE 29 5.817 -6.734 3.446 228 2HG2 ILE 29 2HG2 ILE 29 6.089 -8.427 3.082 229 3HG2 ILE 29 3HG2 ILE 29 7.415 -7.293 2.964 230 1HD1 ILE 29 1HD1 ILE 29 4.352 -9.203 1.669 231 2HD1 ILE 29 2HD1 ILE 29 3.425 -7.995 2.622 232 3HD1 ILE 29 3HD1 ILE 29 2.860 -8.505 1.008 233 H TYR 30 H TYR 30 7.700 -3.759 1.310 234 HA TYR 30 HA TYR 30 10.498 -4.683 0.830 235 1HB TYR 30 1HB TYR 30 9.491 -2.477 -0.098 236 2HB TYR 30 2HB TYR 30 9.252 -1.980 1.537 237 HD1 TYR 30 HD1 TYR 30 11.054 -1.064 2.855 238 HD2 TYR 30 HD2 TYR 30 11.893 -2.889 -0.959 239 HE1 TYR 30 HE1 TYR 30 13.364 -0.214 2.958 240 HE2 TYR 30 HE2 TYR 30 14.273 -2.117 -0.796 241 HH TYR 30 HH TYR 30 15.658 -0.412 0.298 242 H ASP 31 H ASP 31 11.292 -5.746 2.509 243 HA ASP 31 HA ASP 31 10.592 -5.220 5.290 244 1HB ASP 31 1HB ASP 31 12.370 -7.096 3.722 245 2HB ASP 31 2HB ASP 31 12.829 -6.799 5.375 246 H THR 32 H THR 32 11.427 -3.298 6.182 247 HA THR 32 HA THR 32 14.034 -2.259 5.379 248 HB THR 32 HB THR 32 13.524 -0.632 7.214 249 HG1 THR 32 HG1 THR 32 12.422 -2.281 8.343 250 1HG2 THR 32 1HG2 THR 32 12.623 -0.091 5.000 251 2HG2 THR 32 2HG2 THR 32 11.149 -1.032 5.334 252 3HG2 THR 32 3HG2 THR 32 11.535 0.428 6.275 253 H GLU 33 H GLU 33 14.605 -4.784 6.044 254 HA GLU 33 HA GLU 33 16.335 -4.404 8.394 255 1HB GLU 33 1HB GLU 33 14.425 -6.735 7.876 256 2HB GLU 33 2HB GLU 33 15.940 -7.062 8.667 257 1HG GLU 33 1HG GLU 33 14.047 -4.940 9.775 258 2HG GLU 33 2HG GLU 33 13.854 -6.646 10.106 259 H SER 34 H SER 34 15.704 -6.172 5.417 260 HA SER 34 HA SER 34 18.559 -5.830 5.201 261 1HB SER 34 1HB SER 34 17.065 -8.491 5.068 262 2HB SER 34 2HB SER 34 18.694 -8.359 4.411 263 HG SER 34 HG SER 34 19.207 -7.593 6.674 264 H GLY 35 H GLY 35 16.342 -4.525 3.902 265 1HA GLY 35 1HA GLY 35 15.624 -3.804 1.905 266 2HA GLY 35 2HA GLY 35 17.185 -4.231 1.275 267 H ASN 36 H ASN 36 15.149 -6.840 2.460 268 HA ASN 36 HA ASN 36 15.052 -8.015 -0.241 269 1HB ASN 36 1HB ASN 36 15.544 -9.502 1.697 270 2HB ASN 36 2HB ASN 36 13.999 -9.003 2.398 271 1HD2 ASN 36 1HD2 ASN 36 12.153 -10.351 1.921 272 2HD2 ASN 36 2HD2 ASN 36 12.159 -11.431 0.563 273 H VAL 37 H VAL 37 13.334 -8.065 -1.394 274 HA VAL 37 HA VAL 37 10.834 -6.830 -0.442 275 HB VAL 37 HB VAL 37 11.524 -6.760 -3.348 276 1HG1 VAL 37 1HG1 VAL 37 10.174 -4.856 -1.375 277 2HG1 VAL 37 2HG1 VAL 37 10.328 -4.601 -3.127 278 3HG1 VAL 37 3HG1 VAL 37 9.339 -5.950 -2.504 279 1HG2 VAL 37 1HG2 VAL 37 12.771 -4.922 -1.251 280 2HG2 VAL 37 2HG2 VAL 37 13.621 -5.884 -2.456 281 3HG2 VAL 37 3HG2 VAL 37 12.645 -4.523 -2.982 282 H GLU 38 H GLU 38 8.796 -7.667 -1.530 283 HA GLU 38 HA GLU 38 9.034 -10.231 -2.954 284 1HB GLU 38 1HB GLU 38 8.639 -10.913 -0.628 285 2HB GLU 38 2HB GLU 38 7.361 -9.705 -0.451 286 1HG GLU 38 1HG GLU 38 6.336 -11.855 -0.712 287 2HG GLU 38 2HG GLU 38 5.982 -10.900 -2.136 288 H VAL 39 H VAL 39 7.598 -10.189 -4.685 289 HA VAL 39 HA VAL 39 5.602 -8.011 -4.843 290 HB VAL 39 HB VAL 39 6.472 -10.026 -6.967 291 1HG1 VAL 39 1HG1 VAL 39 4.177 -9.186 -7.303 292 2HG1 VAL 39 2HG1 VAL 39 4.743 -7.508 -7.148 293 3HG1 VAL 39 3HG1 VAL 39 5.258 -8.524 -8.518 294 1HG2 VAL 39 1HG2 VAL 39 8.340 -8.502 -6.544 295 2HG2 VAL 39 2HG2 VAL 39 7.589 -8.143 -8.101 296 3HG2 VAL 39 3HG2 VAL 39 7.266 -7.101 -6.697 297 H VAL 40 H VAL 40 3.771 -8.618 -3.744 298 HA VAL 40 HA VAL 40 2.634 -11.337 -4.059 299 HB VAL 40 HB VAL 40 1.804 -8.743 -2.740 300 1HG1 VAL 40 1HG1 VAL 40 -0.029 -11.128 -3.062 301 2HG1 VAL 40 2HG1 VAL 40 -0.293 -9.757 -1.955 302 3HG1 VAL 40 3HG1 VAL 40 -0.282 -9.470 -3.689 303 1HG2 VAL 40 1HG2 VAL 40 3.328 -10.180 -1.489 304 2HG2 VAL 40 2HG2 VAL 40 1.745 -10.088 -0.699 305 3HG2 VAL 40 3HG2 VAL 40 2.187 -11.538 -1.637 306 H GLU 41 H GLU 41 0.738 -11.643 -5.327 307 HA GLU 41 HA GLU 41 0.244 -9.793 -7.609 308 1HB GLU 41 1HB GLU 41 1.665 -11.823 -8.114 309 2HB GLU 41 2HB GLU 41 0.337 -12.842 -7.534 310 1HG GLU 41 1HG GLU 41 -1.123 -11.945 -9.321 311 2HG GLU 41 2HG GLU 41 0.260 -11.002 -9.932 312 H ASN 42 H ASN 42 -1.713 -8.952 -6.925 313 HA ASN 42 HA ASN 42 -3.726 -10.716 -5.618 314 1HB ASN 42 1HB ASN 42 -2.467 -8.227 -4.757 315 2HB ASN 42 2HB ASN 42 -4.163 -7.945 -4.948 316 1HD2 ASN 42 1HD2 ASN 42 -5.145 -10.665 -4.032 317 2HD2 ASN 42 2HD2 ASN 42 -4.681 -10.767 -2.357 318 H THR 43 H THR 43 -5.212 -11.091 -7.285 319 HA THR 43 HA THR 43 -5.202 -9.221 -9.483 320 HB THR 43 HB THR 43 -6.573 -11.006 -10.537 321 HG1 THR 43 HG1 THR 43 -7.555 -11.580 -8.524 322 1HG2 THR 43 1HG2 THR 43 -4.091 -12.088 -9.049 323 2HG2 THR 43 2HG2 THR 43 -4.859 -12.804 -10.477 324 3HG2 THR 43 3HG2 THR 43 -4.090 -11.225 -10.584 325 H ILE 44 H ILE 44 -6.099 -7.422 -7.851 326 HA ILE 44 HA ILE 44 -8.820 -7.860 -7.054 327 HB ILE 44 HB ILE 44 -7.379 -5.210 -6.754 328 1HG1 ILE 44 1HG1 ILE 44 -5.623 -6.717 -6.081 329 2HG1 ILE 44 2HG1 ILE 44 -6.291 -5.978 -4.673 330 1HG2 ILE 44 1HG2 ILE 44 -8.360 -5.593 -4.397 331 2HG2 ILE 44 2HG2 ILE 44 -9.535 -5.236 -5.697 332 3HG2 ILE 44 3HG2 ILE 44 -9.286 -6.890 -5.108 333 1HD1 ILE 44 1HD1 ILE 44 -6.079 -8.195 -4.003 334 2HD1 ILE 44 2HD1 ILE 44 -7.756 -8.190 -4.459 335 3HD1 ILE 44 3HD1 ILE 44 -6.561 -8.833 -5.595 336 H ALA 45 H ALA 45 -10.538 -6.329 -7.477 337 HA ALA 45 HA ALA 45 -10.551 -4.785 -9.969 338 1HB ALA 45 1HB ALA 45 -12.292 -7.269 -9.660 339 2HB ALA 45 2HB ALA 45 -12.295 -6.135 -11.027 340 3HB ALA 45 3HB ALA 45 -10.872 -7.138 -10.724 341 H ASP 46 H ASP 46 -13.021 -4.210 -10.345 342 HA ASP 46 HA ASP 46 -13.389 -2.322 -8.336 343 1HB ASP 46 1HB ASP 46 -14.941 -2.985 -10.872 344 2HB ASP 46 2HB ASP 46 -15.214 -1.517 -9.924 345 H ALA 47 H ALA 47 -14.117 -4.664 -6.933 346 HA ALA 47 HA ALA 47 -16.967 -4.073 -6.280 347 1HB ALA 47 1HB ALA 47 -16.962 -6.150 -7.590 348 2HB ALA 47 2HB ALA 47 -15.771 -6.869 -6.465 349 3HB ALA 47 3HB ALA 47 -17.409 -6.460 -5.914 350 H HIS 48 H HIS 48 -17.425 -5.272 -4.085 351 HA HIS 48 HA HIS 48 -15.166 -5.950 -2.500 352 1HB HIS 48 1HB HIS 48 -15.496 -4.517 -0.609 353 2HB HIS 48 2HB HIS 48 -15.205 -3.546 -2.034 354 HD1 HIS 48 HD1 HIS 48 -18.511 -3.717 -2.887 355 HD2 HIS 48 HD2 HIS 48 -16.610 -2.435 0.651 356 HE1 HIS 48 HE1 HIS 48 -20.104 -2.124 -1.751 357 H GLY 49 H GLY 49 -16.318 -6.422 -0.103 358 1HA GLY 49 1HA GLY 49 -18.857 -7.438 0.205 359 2HA GLY 49 2HA GLY 49 -18.041 -8.654 -0.777 360 H THR 50 H THR 50 -17.158 -6.569 2.002 361 HA THR 50 HA THR 50 -15.996 -6.895 3.862 362 HB THR 50 HB THR 50 -17.182 -8.474 5.399 363 HG1 THR 50 HG1 THR 50 -18.227 -9.982 4.496 364 1HG2 THR 50 1HG2 THR 50 -19.234 -7.190 5.339 365 2HG2 THR 50 2HG2 THR 50 -17.854 -6.128 5.022 366 3HG2 THR 50 3HG2 THR 50 -18.898 -6.639 3.699 367 H GLY 51 H GLY 51 -14.553 -8.209 1.733 368 1HA GLY 51 1HA GLY 51 -12.800 -9.715 3.592 369 2HA GLY 51 2HA GLY 51 -12.922 -10.168 1.887 370 HA PRO 52 HA PRO 52 -10.379 -6.045 2.104 371 1HB PRO 52 1HB PRO 52 -8.045 -6.737 3.324 372 2HB PRO 52 2HB PRO 52 -9.342 -5.831 4.148 373 1HG PRO 52 1HG PRO 52 -8.651 -8.756 4.261 374 2HG PRO 52 2HG PRO 52 -9.121 -7.710 5.622 375 1HD PRO 52 1HD PRO 52 -10.896 -9.392 4.435 376 2HD PRO 52 2HD PRO 52 -11.408 -7.776 5.005 377 H LYS 53 H LYS 53 -9.585 -9.499 1.973 378 HA LYS 53 HA LYS 53 -8.230 -10.770 0.817 379 1HB LYS 53 1HB LYS 53 -8.389 -8.792 -1.482 380 2HB LYS 53 2HB LYS 53 -7.942 -10.485 -1.523 381 1HG LYS 53 1HG LYS 53 -10.108 -10.866 -2.080 382 2HG LYS 53 2HG LYS 53 -10.436 -10.693 -0.373 383 1HD LYS 53 1HD LYS 53 -12.009 -9.402 -1.666 384 2HD LYS 53 2HD LYS 53 -10.981 -8.269 -0.788 385 1HE LYS 53 1HE LYS 53 -9.976 -7.459 -2.615 386 2HE LYS 53 2HE LYS 53 -10.020 -9.013 -3.487 387 1HZ LYS 53 1HZ LYS 53 -11.515 -7.769 -4.674 388 2HZ LYS 53 2HZ LYS 53 -12.552 -8.484 -3.640 389 3HZ LYS 53 3HZ LYS 53 -12.054 -6.921 -3.394 390 H VAL 54 H VAL 54 -7.054 -7.634 -0.307 391 HA VAL 54 HA VAL 54 -4.283 -8.248 -0.235 392 HB VAL 54 HB VAL 54 -4.744 -6.503 -1.592 393 1HG1 VAL 54 1HG1 VAL 54 -6.083 -4.520 -1.209 394 2HG1 VAL 54 2HG1 VAL 54 -7.005 -6.006 -1.209 395 3HG1 VAL 54 3HG1 VAL 54 -6.632 -5.184 0.347 396 1HG2 VAL 54 1HG2 VAL 54 -2.896 -5.811 -0.242 397 2HG2 VAL 54 2HG2 VAL 54 -3.857 -4.392 -0.683 398 3HG2 VAL 54 3HG2 VAL 54 -3.990 -5.031 0.943 399 H VAL 55 H VAL 55 -6.216 -6.286 2.101 400 HA VAL 55 HA VAL 55 -4.088 -6.050 3.978 401 HB VAL 55 HB VAL 55 -6.930 -5.881 4.917 402 1HG1 VAL 55 1HG1 VAL 55 -5.127 -5.191 6.382 403 2HG1 VAL 55 2HG1 VAL 55 -4.575 -4.007 5.168 404 3HG1 VAL 55 3HG1 VAL 55 -6.168 -3.833 5.932 405 1HG2 VAL 55 1HG2 VAL 55 -5.703 -4.042 2.798 406 2HG2 VAL 55 2HG2 VAL 55 -7.226 -4.885 2.651 407 3HG2 VAL 55 3HG2 VAL 55 -7.094 -3.581 3.820 408 H GLN 56 H GLN 56 -6.771 -8.489 4.109 409 HA GLN 56 HA GLN 56 -5.942 -9.858 6.335 410 1HB GLN 56 1HB GLN 56 -7.174 -10.707 3.728 411 2HB GLN 56 2HB GLN 56 -6.493 -11.982 4.715 412 1HG GLN 56 1HG GLN 56 -8.164 -10.233 6.369 413 2HG GLN 56 2HG GLN 56 -9.034 -10.827 4.962 414 1HE2 GLN 56 1HE2 GLN 56 -7.383 -11.830 7.921 415 2HE2 GLN 56 2HE2 GLN 56 -8.259 -13.342 8.022 416 H SER 57 H SER 57 -4.652 -10.283 3.000 417 HA SER 57 HA SER 57 -2.678 -12.192 3.684 418 1HB SER 57 1HB SER 57 -3.296 -10.339 1.367 419 2HB SER 57 2HB SER 57 -1.655 -10.956 1.473 420 HG SER 57 HG SER 57 -4.110 -12.453 1.386 421 H LEU 58 H LEU 58 -2.317 -8.657 3.176 422 HA LEU 58 HA LEU 58 0.522 -8.691 3.502 423 1HB LEU 58 1HB LEU 58 -1.537 -6.485 3.907 424 2HB LEU 58 2HB LEU 58 0.210 -6.255 3.837 425 HG LEU 58 HG LEU 58 -1.462 -7.269 1.512 426 1HD1 LEU 58 1HD1 LEU 58 -1.985 -4.972 2.003 427 2HD1 LEU 58 2HD1 LEU 58 -0.285 -4.551 2.187 428 3HD1 LEU 58 3HD1 LEU 58 -0.922 -4.998 0.579 429 1HD2 LEU 58 1HD2 LEU 58 0.789 -8.145 1.457 430 2HD2 LEU 58 2HD2 LEU 58 0.502 -6.991 0.193 431 3HD2 LEU 58 3HD2 LEU 58 1.457 -6.492 1.615 432 H VAL 59 H VAL 59 -2.134 -8.064 5.769 433 HA VAL 59 HA VAL 59 -0.636 -7.568 8.117 434 HB VAL 59 HB VAL 59 -3.386 -8.581 7.353 435 1HG1 VAL 59 1HG1 VAL 59 -4.155 -8.279 9.672 436 2HG1 VAL 59 2HG1 VAL 59 -2.976 -9.585 9.592 437 3HG1 VAL 59 3HG1 VAL 59 -2.490 -7.985 10.214 438 1HG2 VAL 59 1HG2 VAL 59 -4.024 -6.326 8.280 439 2HG2 VAL 59 2HG2 VAL 59 -2.304 -6.019 8.633 440 3HG2 VAL 59 3HG2 VAL 59 -2.861 -6.201 6.961 441 H SER 60 H SER 60 -1.821 -10.691 6.683 442 HA SER 60 HA SER 60 -0.650 -12.350 8.686 443 1HB SER 60 1HB SER 60 -0.995 -13.014 5.735 444 2HB SER 60 2HB SER 60 -0.760 -14.152 7.055 445 HG SER 60 HG SER 60 -2.956 -12.344 6.800 446 H LYS 61 H LYS 61 0.836 -10.564 6.046 447 HA LYS 61 HA LYS 61 3.417 -12.002 6.365 448 1HB LYS 61 1HB LYS 61 2.433 -10.012 4.305 449 2HB LYS 61 2HB LYS 61 4.022 -10.774 4.290 450 1HG LYS 61 1HG LYS 61 3.089 -12.971 3.876 451 2HG LYS 61 2HG LYS 61 1.465 -12.428 4.222 452 1HD LYS 61 1HD LYS 61 1.428 -12.489 1.941 453 2HD LYS 61 2HD LYS 61 1.754 -10.791 2.274 454 1HE LYS 61 1HE LYS 61 3.212 -11.375 0.494 455 2HE LYS 61 2HE LYS 61 4.248 -11.325 1.923 456 1HZ LYS 61 1HZ LYS 61 4.581 -13.302 0.452 457 2HZ LYS 61 2HZ LYS 61 4.260 -13.697 1.982 458 3HZ LYS 61 3HZ LYS 61 3.086 -13.837 0.842 459 H GLY 62 H GLY 62 2.340 -10.237 8.480 460 1HA GLY 62 1HA GLY 62 3.008 -8.700 9.940 461 2HA GLY 62 2HA GLY 62 4.647 -9.110 9.423 462 H VAL 63 H VAL 63 2.428 -7.491 7.202 463 HA VAL 63 HA VAL 63 4.068 -5.100 6.936 464 HB VAL 63 HB VAL 63 1.297 -5.907 5.987 465 1HG1 VAL 63 1HG1 VAL 63 1.427 -4.088 4.416 466 2HG1 VAL 63 2HG1 VAL 63 1.439 -3.464 6.062 467 3HG1 VAL 63 3HG1 VAL 63 2.954 -3.530 5.126 468 1HG2 VAL 63 1HG2 VAL 63 4.110 -5.942 4.845 469 2HG2 VAL 63 2HG2 VAL 63 2.984 -7.284 4.897 470 3HG2 VAL 63 3HG2 VAL 63 2.726 -5.950 3.759 471 H GLU 64 H GLU 64 4.088 -3.415 8.352 472 HA GLU 64 HA GLU 64 1.461 -2.721 9.652 473 1HB GLU 64 1HB GLU 64 4.180 -2.011 10.820 474 2HB GLU 64 2HB GLU 64 2.579 -1.696 11.470 475 1HG GLU 64 1HG GLU 64 2.296 -4.237 11.670 476 2HG GLU 64 2HG GLU 64 4.065 -4.315 11.460 477 H TYR 65 H TYR 65 2.452 -1.864 6.916 478 HA TYR 65 HA TYR 65 2.591 0.981 7.278 479 1HB TYR 65 1HB TYR 65 5.011 -0.543 7.427 480 2HB TYR 65 2HB TYR 65 5.072 0.049 5.965 481 HD1 TYR 65 HD1 TYR 65 5.180 2.698 5.665 482 HD2 TYR 65 HD2 TYR 65 5.073 0.755 9.522 483 HE1 TYR 65 HE1 TYR 65 6.041 4.691 6.692 484 HE2 TYR 65 HE2 TYR 65 6.088 2.699 10.543 485 HH TYR 65 HH TYR 65 7.513 4.665 9.800 486 H LEU 66 H LEU 66 2.547 2.051 5.154 487 HA LEU 66 HA LEU 66 2.209 0.487 2.708 488 1HB LEU 66 1HB LEU 66 0.068 0.026 3.638 489 2HB LEU 66 2HB LEU 66 -0.025 1.594 4.411 490 HG LEU 66 HG LEU 66 -0.250 2.651 2.253 491 1HD1 LEU 66 1HD1 LEU 66 -0.422 -0.143 1.208 492 2HD1 LEU 66 2HD1 LEU 66 -1.270 1.169 0.383 493 3HD1 LEU 66 3HD1 LEU 66 0.459 1.253 0.510 494 1HD2 LEU 66 1HD2 LEU 66 -2.652 2.124 2.024 495 2HD2 LEU 66 2HD2 LEU 66 -2.388 0.529 2.782 496 3HD2 LEU 66 3HD2 LEU 66 -2.210 2.012 3.722 497 H ILE 67 H ILE 67 2.242 1.872 0.911 498 HA ILE 67 HA ILE 67 2.455 4.794 1.373 499 HB ILE 67 HB ILE 67 4.116 2.885 -0.405 500 1HG1 ILE 67 1HG1 ILE 67 5.183 5.134 1.419 501 2HG1 ILE 67 2HG1 ILE 67 4.697 3.669 2.175 502 1HG2 ILE 67 1HG2 ILE 67 3.577 4.956 -1.743 503 2HG2 ILE 67 2HG2 ILE 67 4.392 5.938 -0.478 504 3HG2 ILE 67 3HG2 ILE 67 5.289 4.760 -1.318 505 1HD1 ILE 67 1HD1 ILE 67 6.824 3.829 0.008 506 2HD1 ILE 67 2HD1 ILE 67 7.090 3.615 1.742 507 3HD1 ILE 67 3HD1 ILE 67 6.269 2.358 0.790 508 H ALA 68 H ALA 68 0.477 5.605 0.401 509 HA ALA 68 HA ALA 68 -0.214 4.643 -2.258 510 1HB ALA 68 1HB ALA 68 -2.448 3.789 -1.730 511 2HB ALA 68 2HB ALA 68 -1.218 2.864 -0.853 512 3HB ALA 68 3HB ALA 68 -2.180 4.054 0.011 513 H SER 69 H SER 69 -1.352 6.320 -3.286 514 HA SER 69 HA SER 69 -1.488 8.827 -1.893 515 1HB SER 69 1HB SER 69 -2.422 9.818 -3.855 516 2HB SER 69 2HB SER 69 -1.225 8.642 -4.373 517 HG SER 69 HG SER 69 -3.478 8.707 -5.346 518 H ASN 70 H ASN 70 -3.825 6.305 -2.075 519 HA ASN 70 HA ASN 70 -5.661 7.609 -0.315 520 1HB ASN 70 1HB ASN 70 -6.225 8.305 -2.900 521 2HB ASN 70 2HB ASN 70 -6.857 6.639 -2.902 522 1HD2 ASN 70 1HD2 ASN 70 -7.132 9.823 -1.219 523 2HD2 ASN 70 2HD2 ASN 70 -8.816 9.571 -0.792 524 H VAL 71 H VAL 71 -7.561 5.940 -0.106 525 HA VAL 71 HA VAL 71 -6.501 3.200 -0.449 526 HB VAL 71 HB VAL 71 -6.941 4.364 1.807 527 1HG1 VAL 71 1HG1 VAL 71 -9.401 4.957 1.198 528 2HG1 VAL 71 2HG1 VAL 71 -9.680 3.225 1.612 529 3HG1 VAL 71 3HG1 VAL 71 -8.991 4.319 2.799 530 1HG2 VAL 71 1HG2 VAL 71 -7.707 2.177 2.784 531 2HG2 VAL 71 2HG2 VAL 71 -7.850 1.592 1.111 532 3HG2 VAL 71 3HG2 VAL 71 -6.270 2.178 1.760 533 H GLY 72 H GLY 72 -8.148 1.565 -0.975 534 1HA GLY 72 1HA GLY 72 -10.014 2.342 -3.144 535 2HA GLY 72 2HA GLY 72 -9.633 0.722 -2.623 536 H ARG 73 H ARG 73 -10.485 3.217 -0.328 537 HA ARG 73 HA ARG 73 -11.924 3.466 1.276 538 1HB ARG 73 1HB ARG 73 -13.381 3.773 -0.667 539 2HB ARG 73 2HB ARG 73 -14.068 2.165 -0.417 540 1HG ARG 73 1HG ARG 73 -15.343 2.876 1.341 541 2HG ARG 73 2HG ARG 73 -13.976 3.694 2.084 542 1HD ARG 73 1HD ARG 73 -14.318 5.548 0.325 543 2HD ARG 73 2HD ARG 73 -15.877 4.805 0.006 544 HE ARG 73 HE ARG 73 -14.998 6.343 2.327 545 1HH1 ARG 73 2HH2 ARG 73 -17.529 4.090 1.200 546 2HH1 ARG 73 1HH2 ARG 73 -18.646 4.494 2.434 547 1HH2 ARG 73 2HH1 ARG 73 -16.540 6.911 4.011 548 2HH2 ARG 73 1HH1 ARG 73 -18.043 6.054 4.054 549 H ASN 74 H ASN 74 -12.948 0.215 0.180 550 HA ASN 74 HA ASN 74 -13.435 -0.786 2.802 551 1HB ASN 74 1HB ASN 74 -13.678 -2.999 1.589 552 2HB ASN 74 2HB ASN 74 -14.646 -1.672 0.993 553 1HD2 ASN 74 1HD2 ASN 74 -11.465 -3.254 0.266 554 2HD2 ASN 74 2HD2 ASN 74 -11.591 -2.890 -1.478 555 H ALA 75 H ALA 75 -11.080 0.048 3.450 556 HA ALA 75 HA ALA 75 -9.524 -2.329 4.052 557 1HB ALA 75 1HB ALA 75 -8.441 -0.255 2.125 558 2HB ALA 75 2HB ALA 75 -7.406 -1.381 3.027 559 3HB ALA 75 3HB ALA 75 -8.586 -2.018 1.871 560 H PHE 76 H PHE 76 -9.964 1.261 4.381 561 HA PHE 76 HA PHE 76 -7.518 1.529 5.883 562 1HB PHE 76 1HB PHE 76 -8.309 3.413 4.793 563 2HB PHE 76 2HB PHE 76 -9.910 3.272 5.454 564 HD1 PHE 76 HD1 PHE 76 -10.522 4.469 7.424 565 HD2 PHE 76 HD2 PHE 76 -6.358 4.125 6.320 566 HE1 PHE 76 HE1 PHE 76 -9.970 6.381 8.894 567 HE2 PHE 76 HE2 PHE 76 -5.822 6.075 7.740 568 HZ PHE 76 HZ PHE 76 -7.645 7.219 9.035 569 H GLU 77 H GLU 77 -10.850 0.874 6.852 570 HA GLU 77 HA GLU 77 -10.529 1.103 9.645 571 1HB GLU 77 1HB GLU 77 -12.183 -0.931 8.079 572 2HB GLU 77 2HB GLU 77 -12.425 -0.431 9.753 573 1HG GLU 77 1HG GLU 77 -13.705 1.286 9.122 574 2HG GLU 77 2HG GLU 77 -12.473 1.938 8.078 575 H THR 78 H THR 78 -9.721 -1.445 7.287 576 HA THR 78 HA THR 78 -9.175 -3.533 9.136 577 HB THR 78 HB THR 78 -8.375 -3.770 6.249 578 HG1 THR 78 HG1 THR 78 -10.709 -3.816 5.680 579 1HG2 THR 78 1HG2 THR 78 -8.729 -5.704 7.732 580 2HG2 THR 78 2HG2 THR 78 -10.436 -5.227 7.926 581 3HG2 THR 78 3HG2 THR 78 -9.839 -5.714 6.350 582 H LEU 79 H LEU 79 -7.507 -0.800 7.959 583 HA LEU 79 HA LEU 79 -4.806 -1.973 8.048 584 1HB LEU 79 1HB LEU 79 -5.864 0.842 7.578 585 2HB LEU 79 2HB LEU 79 -4.160 0.529 7.782 586 HG LEU 79 HG LEU 79 -5.725 -0.987 5.673 587 1HD1 LEU 79 1HD1 LEU 79 -5.393 1.832 5.524 588 2HD1 LEU 79 2HD1 LEU 79 -4.155 1.147 4.476 589 3HD1 LEU 79 3HD1 LEU 79 -5.837 0.718 4.214 590 1HD2 LEU 79 1HD2 LEU 79 -3.590 -1.890 6.279 591 2HD2 LEU 79 2HD2 LEU 79 -3.477 -1.198 4.673 592 3HD2 LEU 79 3HD2 LEU 79 -2.809 -0.299 6.034 593 H LYS 80 H LYS 80 -6.579 0.581 9.907 594 HA LYS 80 HA LYS 80 -4.734 0.609 12.034 595 1HB LYS 80 1HB LYS 80 -6.787 1.570 13.262 596 2HB LYS 80 2HB LYS 80 -5.981 2.428 11.978 597 1HG LYS 80 1HG LYS 80 -8.038 1.118 10.624 598 2HG LYS 80 2HG LYS 80 -8.756 1.341 12.182 599 1HD LYS 80 1HD LYS 80 -9.240 3.152 10.533 600 2HD LYS 80 2HD LYS 80 -8.482 3.790 12.002 601 1HE LYS 80 1HE LYS 80 -6.692 2.978 9.720 602 2HE LYS 80 2HE LYS 80 -7.752 4.341 9.440 603 1HZ LYS 80 1HZ LYS 80 -5.781 4.195 11.646 604 2HZ LYS 80 2HZ LYS 80 -5.573 5.015 10.280 605 3HZ LYS 80 3HZ LYS 80 -6.744 5.480 11.339 606 H ALA 81 H ALA 81 -7.502 -1.519 11.453 607 HA ALA 81 HA ALA 81 -7.641 -2.738 13.977 608 1HB ALA 81 1HB ALA 81 -7.900 -4.049 11.234 609 2HB ALA 81 2HB ALA 81 -8.482 -4.712 12.771 610 3HB ALA 81 3HB ALA 81 -9.206 -3.231 12.131 611 H ALA 82 H ALA 82 -5.018 -2.963 11.551 612 HA ALA 82 HA ALA 82 -3.609 -4.878 13.364 613 1HB ALA 82 1HB ALA 82 -2.412 -5.583 11.260 614 2HB ALA 82 2HB ALA 82 -4.143 -5.961 11.232 615 3HB ALA 82 3HB ALA 82 -3.537 -4.566 10.333 616 H GLY 83 H GLY 83 -3.721 -2.050 13.727 617 1HA GLY 83 1HA GLY 83 -2.604 -0.111 13.715 618 2HA GLY 83 2HA GLY 83 -1.287 -1.118 14.339 619 H VAL 84 H VAL 84 -2.505 -1.099 10.966 620 HA VAL 84 HA VAL 84 0.191 -0.823 10.040 621 HB VAL 84 HB VAL 84 -2.414 -0.891 8.455 622 1HG1 VAL 84 1HG1 VAL 84 -0.296 -0.351 7.127 623 2HG1 VAL 84 2HG1 VAL 84 0.296 -1.965 7.617 624 3HG1 VAL 84 3HG1 VAL 84 -1.147 -1.821 6.633 625 1HG2 VAL 84 1HG2 VAL 84 -2.356 -2.790 9.947 626 2HG2 VAL 84 2HG2 VAL 84 -2.113 -3.336 8.292 627 3HG2 VAL 84 3HG2 VAL 84 -0.739 -3.235 9.435 628 H LYS 85 H LYS 85 1.291 0.926 9.463 629 HA LYS 85 HA LYS 85 -0.009 3.492 9.618 630 1HB LYS 85 1HB LYS 85 2.542 2.628 10.155 631 2HB LYS 85 2HB LYS 85 2.805 3.318 8.557 632 1HG LYS 85 1HG LYS 85 1.951 5.496 9.319 633 2HG LYS 85 2HG LYS 85 1.416 4.776 10.839 634 1HD LYS 85 1HD LYS 85 4.045 4.115 11.013 635 2HD LYS 85 2HD LYS 85 4.182 5.531 9.959 636 1HE LYS 85 1HE LYS 85 4.418 6.302 12.210 637 2HE LYS 85 2HE LYS 85 2.820 6.817 11.667 638 1HZ LYS 85 1HZ LYS 85 1.933 4.803 12.837 639 2HZ LYS 85 2HZ LYS 85 3.419 4.507 13.416 640 3HZ LYS 85 3HZ LYS 85 2.669 5.890 13.842 641 H VAL 86 H VAL 86 0.257 5.171 7.758 642 HA VAL 86 HA VAL 86 0.176 3.887 5.110 643 HB VAL 86 HB VAL 86 -2.259 5.411 6.184 644 1HG1 VAL 86 1HG1 VAL 86 -2.057 5.815 3.932 645 2HG1 VAL 86 2HG1 VAL 86 -1.504 4.188 3.535 646 3HG1 VAL 86 3HG1 VAL 86 -3.208 4.465 4.013 647 1HG2 VAL 86 1HG2 VAL 86 -2.305 3.242 7.302 648 2HG2 VAL 86 2HG2 VAL 86 -3.424 3.152 5.946 649 3HG2 VAL 86 3HG2 VAL 86 -1.816 2.389 5.847 650 H TYR 87 H TYR 87 1.145 5.255 3.747 651 HA TYR 87 HA TYR 87 1.215 8.125 4.416 652 1HB TYR 87 1HB TYR 87 3.078 6.224 2.974 653 2HB TYR 87 2HB TYR 87 3.053 7.907 2.494 654 HD1 TYR 87 HD1 TYR 87 4.246 9.489 3.791 655 HD2 TYR 87 HD2 TYR 87 3.353 5.688 5.576 656 HE1 TYR 87 HE1 TYR 87 5.675 10.088 5.630 657 HE2 TYR 87 HE2 TYR 87 4.693 6.340 7.578 658 HH TYR 87 HH TYR 87 6.903 9.034 7.592 659 H ARG 88 H ARG 88 1.310 9.494 2.483 660 HA ARG 88 HA ARG 88 -0.354 8.567 0.215 661 1HB ARG 88 1HB ARG 88 -1.399 10.364 1.319 662 2HB ARG 88 2HB ARG 88 0.054 11.321 1.429 663 1HG ARG 88 1HG ARG 88 -0.095 12.194 -0.664 664 2HG ARG 88 2HG ARG 88 -0.743 10.752 -1.382 665 1HD ARG 88 1HD ARG 88 -2.583 12.091 -1.527 666 2HD ARG 88 2HD ARG 88 -2.922 11.312 0.007 667 HE ARG 88 HE ARG 88 -2.384 13.319 1.196 668 1HH1 ARG 88 2HH2 ARG 88 -1.904 13.796 -2.294 669 2HH1 ARG 88 1HH2 ARG 88 -1.995 15.508 -2.214 670 1HH2 ARG 88 2HH1 ARG 88 -2.373 15.530 1.349 671 2HH2 ARG 88 1HH1 ARG 88 -2.443 16.543 -0.067 672 H PHE 89 H PHE 89 0.397 9.261 -1.895 673 HA PHE 89 HA PHE 89 3.116 10.175 -2.211 674 1HB PHE 89 1HB PHE 89 3.981 8.142 -2.737 675 2HB PHE 89 2HB PHE 89 2.502 7.380 -2.293 676 HD1 PHE 89 HD1 PHE 89 4.604 7.795 -5.302 677 HD2 PHE 89 HD2 PHE 89 0.524 7.394 -3.876 678 HE1 PHE 89 HE1 PHE 89 3.855 7.241 -7.476 679 HE2 PHE 89 HE2 PHE 89 -0.227 6.926 -6.200 680 HZ PHE 89 HZ PHE 89 1.442 6.909 -8.031 681 H GLU 90 H GLU 90 3.375 10.742 -4.622 682 HA GLU 90 HA GLU 90 0.913 10.708 -6.207 683 1HB GLU 90 1HB GLU 90 0.914 12.919 -5.093 684 2HB GLU 90 2HB GLU 90 2.532 13.254 -5.732 685 1HG GLU 90 1HG GLU 90 1.668 13.122 -8.044 686 2HG GLU 90 2HG GLU 90 0.084 12.627 -7.433 687 H GLY 91 H GLY 91 1.403 9.913 -8.148 688 1HA GLY 91 1HA GLY 91 2.435 9.254 -9.975 689 2HA GLY 91 2HA GLY 91 2.902 10.960 -10.068 690 H GLY 92 H GLY 92 3.886 7.669 -9.487 691 1HA GLY 92 1HA GLY 92 6.686 8.045 -9.999 692 2HA GLY 92 2HA GLY 92 6.325 7.863 -8.279 693 H THR 93 H THR 93 7.811 5.906 -9.728 694 HA THR 93 HA THR 93 5.954 3.644 -9.936 695 HB THR 93 HB THR 93 8.107 2.449 -10.480 696 HG1 THR 93 HG1 THR 93 9.319 4.819 -11.218 697 1HG2 THR 93 1HG2 THR 93 7.313 4.763 -12.267 698 2HG2 THR 93 2HG2 THR 93 8.238 3.345 -12.784 699 3HG2 THR 93 3HG2 THR 93 6.550 3.180 -12.240 700 H VAL 94 H VAL 94 6.748 1.578 -8.705 701 HA VAL 94 HA VAL 94 6.536 1.835 -6.046 702 HB VAL 94 HB VAL 94 8.051 -0.274 -7.627 703 1HG1 VAL 94 1HG1 VAL 94 8.841 -0.318 -5.274 704 2HG1 VAL 94 2HG1 VAL 94 7.161 -0.495 -4.743 705 3HG1 VAL 94 3HG1 VAL 94 7.931 -1.726 -5.783 706 1HG2 VAL 94 1HG2 VAL 94 5.283 -0.273 -6.372 707 2HG2 VAL 94 2HG2 VAL 94 5.615 -0.021 -8.099 708 3HG2 VAL 94 3HG2 VAL 94 6.032 -1.562 -7.357 709 H GLN 95 H GLN 95 9.770 1.967 -7.677 710 HA GLN 95 HA GLN 95 11.146 2.429 -5.341 711 1HB GLN 95 1HB GLN 95 11.950 2.109 -7.865 712 2HB GLN 95 2HB GLN 95 12.046 3.872 -7.821 713 1HG GLN 95 1HG GLN 95 13.578 3.806 -5.923 714 2HG GLN 95 2HG GLN 95 13.377 2.066 -5.751 715 1HE2 GLN 95 1HE2 GLN 95 15.413 4.356 -6.951 716 2HE2 GLN 95 2HE2 GLN 95 16.315 3.404 -8.103 717 H GLU 96 H GLU 96 9.268 4.849 -6.965 718 HA GLU 96 HA GLU 96 10.558 7.173 -5.719 719 1HB GLU 96 1HB GLU 96 7.982 6.640 -7.224 720 2HB GLU 96 2HB GLU 96 8.394 8.242 -6.615 721 1HG GLU 96 1HG GLU 96 9.568 6.675 -8.908 722 2HG GLU 96 2HG GLU 96 8.929 8.324 -8.859 723 H ALA 97 H ALA 97 7.588 5.114 -5.374 724 HA ALA 97 HA ALA 97 6.487 6.360 -3.156 725 1HB ALA 97 1HB ALA 97 6.445 3.753 -4.500 726 2HB ALA 97 2HB ALA 97 6.301 3.563 -2.762 727 3HB ALA 97 3HB ALA 97 5.154 4.613 -3.661 728 H ILE 98 H ILE 98 9.399 4.296 -3.264 729 HA ILE 98 HA ILE 98 9.634 4.197 -0.353 730 HB ILE 98 HB ILE 98 11.884 3.578 -2.301 731 1HG1 ILE 98 1HG1 ILE 98 10.222 2.593 -3.282 732 2HG1 ILE 98 2HG1 ILE 98 11.206 1.297 -2.531 733 1HG2 ILE 98 1HG2 ILE 98 12.549 1.928 -0.587 734 2HG2 ILE 98 2HG2 ILE 98 12.401 3.555 0.119 735 3HG2 ILE 98 3HG2 ILE 98 11.119 2.350 0.397 736 1HD1 ILE 98 1HD1 ILE 98 9.557 0.942 -0.790 737 2HD1 ILE 98 2HD1 ILE 98 8.513 2.220 -1.456 738 3HD1 ILE 98 3HD1 ILE 98 8.837 0.762 -2.406 739 H ASP 99 H ASP 99 11.559 5.503 -3.074 740 HA ASP 99 HA ASP 99 13.482 6.903 -1.645 741 1HB ASP 99 1HB ASP 99 12.358 7.083 -4.467 742 2HB ASP 99 2HB ASP 99 13.523 8.271 -3.940 743 H ALA 100 H ALA 100 10.238 7.692 -2.255 744 HA ALA 100 HA ALA 100 10.614 10.567 -1.506 745 1HB ALA 100 1HB ALA 100 8.926 9.922 -3.219 746 2HB ALA 100 2HB ALA 100 8.047 9.002 -1.996 747 3HB ALA 100 3HB ALA 100 8.214 10.775 -1.825 748 H PHE 101 H PHE 101 9.102 7.602 -0.145 749 HA PHE 101 HA PHE 101 8.330 8.768 2.340 750 1HB PHE 101 1HB PHE 101 7.276 6.801 1.756 751 2HB PHE 101 2HB PHE 101 8.759 5.972 1.284 752 HD1 PHE 101 HD1 PHE 101 9.864 4.480 2.768 753 HD2 PHE 101 HD2 PHE 101 7.050 7.383 4.306 754 HE1 PHE 101 HE1 PHE 101 10.108 3.542 5.043 755 HE2 PHE 101 HE2 PHE 101 7.404 6.499 6.585 756 HZ PHE 101 HZ PHE 101 8.874 4.532 6.954 757 H SER 102 H SER 102 11.269 6.964 1.382 758 HA SER 102 HA SER 102 12.213 6.516 4.021 759 1HB SER 102 1HB SER 102 14.254 5.793 2.826 760 2HB SER 102 2HB SER 102 12.721 5.091 2.189 761 HG SER 102 HG SER 102 14.454 6.095 0.657 762 H GLU 103 H GLU 103 12.982 8.988 1.548 763 HA GLU 103 HA GLU 103 14.660 10.502 3.459 764 1HB GLU 103 1HB GLU 103 13.856 10.947 0.554 765 2HB GLU 103 2HB GLU 103 15.090 11.868 1.397 766 1HG GLU 103 1HG GLU 103 15.390 8.837 1.096 767 2HG GLU 103 2HG GLU 103 15.718 9.892 -0.241 768 H GLY 104 H GLY 104 11.899 10.085 4.000 769 1HA GLY 104 1HA GLY 104 10.171 11.106 4.969 770 2HA GLY 104 2HA GLY 104 11.359 12.355 5.388 771 H ARG 105 H ARG 105 10.399 11.894 2.006 772 HA ARG 105 HA ARG 105 9.040 14.564 2.067 773 1HB ARG 105 1HB ARG 105 10.147 12.730 -0.109 774 2HB ARG 105 2HB ARG 105 9.286 14.221 -0.468 775 1HG ARG 105 1HG ARG 105 10.924 15.602 0.332 776 2HG ARG 105 2HG ARG 105 11.689 14.368 1.337 777 1HD ARG 105 1HD ARG 105 12.757 13.325 -0.435 778 2HD ARG 105 2HD ARG 105 11.554 13.847 -1.613 779 HE ARG 105 HE ARG 105 13.609 15.562 -0.344 780 1HH1 ARG 105 2HH2 ARG 105 11.474 14.979 -3.169 781 2HH1 ARG 105 1HH2 ARG 105 11.774 16.521 -3.871 782 1HH2 ARG 105 2HH1 ARG 105 14.247 17.346 -1.434 783 2HH2 ARG 105 1HH1 ARG 105 13.531 17.891 -2.940 784 H LEU 106 H LEU 106 7.554 12.174 3.144 785 HA LEU 106 HA LEU 106 5.320 12.499 1.240 786 1HB LEU 106 1HB LEU 106 6.189 9.871 2.485 787 2HB LEU 106 2HB LEU 106 4.601 10.166 1.817 788 HG LEU 106 HG LEU 106 7.218 10.031 0.353 789 1HD1 LEU 106 1HD1 LEU 106 5.685 7.981 1.138 790 2HD1 LEU 106 2HD1 LEU 106 4.728 8.412 -0.267 791 3HD1 LEU 106 3HD1 LEU 106 6.428 7.974 -0.478 792 1HD2 LEU 106 1HD2 LEU 106 4.507 10.929 -0.718 793 2HD2 LEU 106 2HD2 LEU 106 6.080 11.621 -1.055 794 3HD2 LEU 106 3HD2 LEU 106 5.643 10.087 -1.796 795 H GLU 107 H GLU 107 3.281 11.737 2.343 796 HA GLU 107 HA GLU 107 3.155 13.156 4.935 797 1HB GLU 107 1HB GLU 107 1.105 12.566 2.764 798 2HB GLU 107 2HB GLU 107 0.753 13.503 4.195 799 1HG GLU 107 1HG GLU 107 2.924 14.204 2.164 800 2HG GLU 107 2HG GLU 107 1.252 14.759 2.017 801 H GLU 108 H GLU 108 2.044 12.173 6.636 802 HA GLU 108 HA GLU 108 1.490 9.262 6.406 803 1HB GLU 108 1HB GLU 108 2.440 10.903 8.505 804 2HB GLU 108 2HB GLU 108 0.763 10.557 8.932 805 1HG GLU 108 1HG GLU 108 1.309 8.077 8.575 806 2HG GLU 108 2HG GLU 108 2.968 8.525 8.367 807 H LEU 109 H LEU 109 -0.384 8.824 5.459 808 HA LEU 109 HA LEU 109 -2.622 10.752 5.636 809 1HB LEU 109 1HB LEU 109 -1.717 9.855 3.421 810 2HB LEU 109 2HB LEU 109 -2.451 8.315 3.865 811 HG LEU 109 HG LEU 109 -4.651 9.745 4.243 812 1HD1 LEU 109 1HD1 LEU 109 -3.013 11.677 2.556 813 2HD1 LEU 109 2HD1 LEU 109 -4.775 11.750 2.749 814 3HD1 LEU 109 3HD1 LEU 109 -3.720 11.986 4.145 815 1HD2 LEU 109 1HD2 LEU 109 -5.287 9.504 1.932 816 2HD2 LEU 109 2HD2 LEU 109 -3.565 9.355 1.443 817 3HD2 LEU 109 3HD2 LEU 109 -4.301 8.120 2.472 818 H THR 110 H THR 110 -2.295 9.602 8.078 819 HA THR 110 HA THR 110 -3.672 7.017 8.197 820 HB THR 110 HB THR 110 -3.042 7.180 10.595 821 HG1 THR 110 HG1 THR 110 -1.823 8.873 11.283 822 1HG2 THR 110 1HG2 THR 110 -0.753 8.026 8.784 823 2HG2 THR 110 2HG2 THR 110 -0.649 6.971 10.208 824 3HG2 THR 110 3HG2 THR 110 -1.439 6.403 8.726 825 H THR 111 H THR 111 -5.269 9.074 7.158 826 HA THR 111 HA THR 111 -7.728 9.303 8.305 827 HB THR 111 HB THR 111 -7.058 10.317 10.322 828 HG1 THR 111 HG1 THR 111 -8.530 11.695 9.863 829 1HG2 THR 111 1HG2 THR 111 -4.998 11.926 8.761 830 2HG2 THR 111 2HG2 THR 111 -5.601 12.431 10.362 831 3HG2 THR 111 3HG2 THR 111 -4.765 10.898 10.181 832 H PHE 112 H PHE 112 -8.881 10.300 6.754 833 HA PHE 112 HA PHE 112 -7.840 12.274 4.956 834 1HB PHE 112 1HB PHE 112 -8.573 10.975 2.905 835 2HB PHE 112 2HB PHE 112 -7.084 10.399 3.633 836 HD1 PHE 112 HD1 PHE 112 -10.762 9.664 3.382 837 HD2 PHE 112 HD2 PHE 112 -6.870 8.242 4.574 838 HE1 PHE 112 HE1 PHE 112 -11.746 7.488 3.971 839 HE2 PHE 112 HE2 PHE 112 -7.802 6.032 4.965 840 HZ PHE 112 HZ PHE 112 -10.277 5.615 4.736 841 H THR 113 H THR 113 -9.689 13.155 3.752 842 HA THR 113 HA THR 113 -12.270 12.660 5.135 843 HB THR 113 HB THR 113 -11.904 14.427 2.696 844 HG1 THR 113 HG1 THR 113 -10.466 15.358 3.990 845 1HG2 THR 113 1HG2 THR 113 -13.789 15.599 3.769 846 2HG2 THR 113 2HG2 THR 113 -14.167 13.883 3.552 847 3HG2 THR 113 3HG2 THR 113 -13.704 14.494 5.160 848 H ARG 114 H ARG 114 -13.814 11.182 4.294 849 HA ARG 114 HA ARG 114 -14.195 11.248 1.462 850 1HB ARG 114 1HB ARG 114 -12.497 9.383 1.566 851 2HB ARG 114 2HB ARG 114 -13.585 8.482 2.620 852 1HG ARG 114 1HG ARG 114 -13.653 7.780 0.220 853 2HG ARG 114 2HG ARG 114 -15.236 8.284 0.819 854 1HD ARG 114 1HD ARG 114 -15.165 10.339 -0.342 855 2HD ARG 114 2HD ARG 114 -13.410 10.252 -0.586 856 HE ARG 114 HE ARG 114 -14.363 8.076 -1.973 857 1HH1 ARG 114 2HH2 ARG 114 -14.908 11.602 -2.032 858 2HH1 ARG 114 1HH2 ARG 114 -15.326 11.646 -3.703 859 1HH2 ARG 114 2HH1 ARG 114 -14.856 8.148 -4.247 860 2HH2 ARG 114 1HH1 ARG 114 -14.978 9.695 -5.016 861 H GLU 115 H GLU 115 -16.175 12.013 1.672 862 HA GLU 115 HA GLU 115 -18.142 10.655 3.371 863 1HB GLU 115 1HB GLU 115 -18.341 13.041 2.978 864 2HB GLU 115 2HB GLU 115 -18.307 12.795 1.226 865 1HG GLU 115 1HG GLU 115 -20.474 11.538 1.410 866 2HG GLU 115 2HG GLU 115 -20.435 11.743 3.171 867 H GLY 116 H GLY 116 -18.411 8.706 2.786 868 1HA GLY 116 1HA GLY 116 -19.882 8.284 0.297 869 2HA GLY 116 2HA GLY 116 -18.928 6.948 0.997 Start of MODEL 9 1 1H MET 1 H1 MET 1 14.392 -3.412 10.972 2 HA MET 1 HA MET 1 12.619 -3.222 12.597 3 1HB MET 1 1HB MET 1 13.652 -1.089 11.943 4 2HB MET 1 2HB MET 1 12.500 -0.924 10.612 5 1HG MET 1 1HG MET 1 10.695 -1.179 12.557 6 2HG MET 1 2HG MET 1 12.039 -0.687 13.579 7 1HE MET 1 1HE MET 1 13.630 1.448 12.323 8 2HE MET 1 2HE MET 1 12.711 2.922 12.658 9 3HE MET 1 3HE MET 1 12.830 1.651 13.900 10 H ALA 2 H ALA 2 11.208 -2.647 9.216 11 HA ALA 2 HA ALA 2 8.756 -3.879 10.243 12 1HB ALA 2 1HB ALA 2 8.491 -1.408 10.661 13 2HB ALA 2 2HB ALA 2 8.830 -1.114 8.933 14 3HB ALA 2 3HB ALA 2 7.377 -1.986 9.408 15 H ARG 3 H ARG 3 7.199 -4.238 8.557 16 HA ARG 3 HA ARG 3 8.338 -4.108 5.810 17 1HB ARG 3 1HB ARG 3 6.409 -6.088 7.034 18 2HB ARG 3 2HB ARG 3 6.244 -5.620 5.328 19 1HG ARG 3 1HG ARG 3 8.268 -6.620 4.743 20 2HG ARG 3 2HG ARG 3 8.996 -6.082 6.256 21 1HD ARG 3 1HD ARG 3 9.292 -8.178 6.572 22 2HD ARG 3 2HD ARG 3 7.742 -7.966 7.414 23 HE ARG 3 HE ARG 3 7.803 -8.926 4.606 24 1HH1 ARG 3 2HH2 ARG 3 7.450 -9.830 8.064 25 2HH1 ARG 3 1HH2 ARG 3 6.551 -11.249 7.759 26 1HH2 ARG 3 2HH1 ARG 3 6.969 -11.031 4.200 27 2HH2 ARG 3 1HH1 ARG 3 6.450 -12.041 5.507 28 H VAL 4 H VAL 4 7.092 -3.294 4.283 29 HA VAL 4 HA VAL 4 4.924 -1.407 5.006 30 HB VAL 4 HB VAL 4 7.451 -0.596 4.678 31 1HG1 VAL 4 1HG1 VAL 4 6.667 -0.915 1.779 32 2HG1 VAL 4 2HG1 VAL 4 8.221 -0.381 2.454 33 3HG1 VAL 4 3HG1 VAL 4 7.692 -2.057 2.670 34 1HG2 VAL 4 1HG2 VAL 4 6.397 1.265 2.890 35 2HG2 VAL 4 2HG2 VAL 4 4.983 0.737 3.809 36 3HG2 VAL 4 3HG2 VAL 4 6.432 1.383 4.632 37 H ALA 5 H ALA 5 3.654 -0.992 2.828 38 HA ALA 5 HA ALA 5 4.168 -3.122 0.853 39 1HB ALA 5 1HB ALA 5 1.710 -3.352 0.467 40 2HB ALA 5 2HB ALA 5 2.261 -4.014 2.014 41 3HB ALA 5 3HB ALA 5 1.416 -2.443 1.973 42 H ILE 6 H ILE 6 3.873 -2.271 -1.249 43 HA ILE 6 HA ILE 6 2.889 0.506 -1.441 44 HB ILE 6 HB ILE 6 5.173 -0.612 -3.035 45 1HG1 ILE 6 1HG1 ILE 6 6.249 1.459 -1.709 46 2HG1 ILE 6 2HG1 ILE 6 5.098 0.972 -0.487 47 1HG2 ILE 6 1HG2 ILE 6 5.414 1.651 -3.874 48 2HG2 ILE 6 2HG2 ILE 6 3.807 1.039 -4.257 49 3HG2 ILE 6 3HG2 ILE 6 4.017 2.191 -2.915 50 1HD1 ILE 6 1HD1 ILE 6 6.081 -1.273 -0.388 51 2HD1 ILE 6 2HD1 ILE 6 7.134 -0.911 -1.768 52 3HD1 ILE 6 3HD1 ILE 6 7.348 -0.076 -0.220 53 HA PRO 7 HA PRO 7 0.027 -1.759 -4.175 54 1HB PRO 7 1HB PRO 7 -1.421 0.490 -4.884 55 2HB PRO 7 2HB PRO 7 -1.596 -0.323 -3.287 56 1HG PRO 7 1HG PRO 7 -0.163 2.213 -4.022 57 2HG PRO 7 2HG PRO 7 -0.992 1.808 -2.484 58 1HD PRO 7 1HD PRO 7 1.681 1.644 -2.981 59 2HD PRO 7 2HD PRO 7 0.805 0.861 -1.609 60 H SER 8 H SER 8 0.633 -2.316 -6.226 61 HA SER 8 HA SER 8 2.116 -0.368 -7.964 62 1HB SER 8 1HB SER 8 3.627 -1.869 -6.879 63 2HB SER 8 2HB SER 8 2.606 -3.273 -7.208 64 HG SER 8 HG SER 8 4.369 -3.054 -8.644 65 H VAL 9 H VAL 9 2.005 -1.156 -10.265 66 HA VAL 9 HA VAL 9 -0.263 -3.008 -10.883 67 HB VAL 9 HB VAL 9 -0.899 -1.695 -12.798 68 1HG1 VAL 9 1HG1 VAL 9 -2.064 -0.008 -11.718 69 2HG1 VAL 9 2HG1 VAL 9 -1.684 -1.136 -10.399 70 3HG1 VAL 9 3HG1 VAL 9 -0.743 0.356 -10.573 71 1HG2 VAL 9 1HG2 VAL 9 1.213 -0.567 -13.466 72 2HG2 VAL 9 2HG2 VAL 9 -0.092 0.594 -13.235 73 3HG2 VAL 9 3HG2 VAL 9 1.150 0.420 -11.989 74 H GLY 10 H GLY 10 2.615 -3.659 -10.518 75 1HA GLY 10 1HA GLY 10 2.833 -5.253 -12.872 76 2HA GLY 10 2HA GLY 10 4.029 -3.948 -12.909 77 H LYS 11 H LYS 11 5.371 -6.089 -12.831 78 HA LYS 11 HA LYS 11 5.733 -7.058 -10.019 79 1HB LYS 11 1HB LYS 11 5.994 -8.585 -12.629 80 2HB LYS 11 2HB LYS 11 6.471 -9.211 -11.029 81 1HG LYS 11 1HG LYS 11 4.046 -8.829 -10.429 82 2HG LYS 11 2HG LYS 11 3.781 -8.500 -12.155 83 1HD LYS 11 1HD LYS 11 3.283 -10.787 -12.054 84 2HD LYS 11 2HD LYS 11 4.975 -10.819 -12.528 85 1HE LYS 11 1HE LYS 11 5.678 -11.220 -10.217 86 2HE LYS 11 2HE LYS 11 4.013 -10.980 -9.626 87 1HZ LYS 11 1HZ LYS 11 3.341 -12.923 -10.773 88 2HZ LYS 11 2HZ LYS 11 4.851 -13.120 -11.447 89 3HZ LYS 11 3HZ LYS 11 4.655 -13.304 -9.832 90 H ASP 12 H ASP 12 6.977 -4.723 -10.991 91 HA ASP 12 HA ASP 12 9.817 -5.487 -10.645 92 1HB ASP 12 1HB ASP 12 8.682 -3.729 -12.819 93 2HB ASP 12 2HB ASP 12 10.351 -3.634 -12.311 94 H LEU 13 H LEU 13 10.909 -3.997 -9.471 95 HA LEU 13 HA LEU 13 9.638 -2.138 -7.769 96 1HB LEU 13 1HB LEU 13 11.976 -3.378 -7.897 97 2HB LEU 13 2HB LEU 13 12.508 -1.900 -8.657 98 HG LEU 13 HG LEU 13 13.159 -2.065 -6.341 99 1HD1 LEU 13 1HD1 LEU 13 11.083 0.111 -6.439 100 2HD1 LEU 13 2HD1 LEU 13 12.689 0.123 -5.680 101 3HD1 LEU 13 3HD1 LEU 13 12.535 0.130 -7.457 102 1HD2 LEU 13 1HD2 LEU 13 10.215 -2.119 -5.572 103 2HD2 LEU 13 2HD2 LEU 13 11.348 -3.472 -5.456 104 3HD2 LEU 13 3HD2 LEU 13 11.598 -2.032 -4.467 105 H SER 14 H SER 14 10.331 -1.769 -11.111 106 HA SER 14 HA SER 14 9.958 1.196 -10.867 107 1HB SER 14 1HB SER 14 10.700 0.975 -13.264 108 2HB SER 14 2HB SER 14 11.963 0.662 -12.052 109 HG SER 14 HG SER 14 12.004 -1.393 -12.535 110 H SER 15 H SER 15 7.777 -0.843 -10.569 111 HA SER 15 HA SER 15 6.291 -0.301 -13.086 112 1HB SER 15 1HB SER 15 5.222 -1.557 -10.518 113 2HB SER 15 2HB SER 15 4.458 -1.620 -12.117 114 HG SER 15 HG SER 15 7.005 -2.674 -11.436 115 H MET 16 H MET 16 3.911 0.821 -12.751 116 HA MET 16 HA MET 16 4.442 3.288 -11.295 117 1HB MET 16 1HB MET 16 2.398 2.243 -13.191 118 2HB MET 16 2HB MET 16 1.751 3.330 -11.977 119 1HG MET 16 1HG MET 16 4.213 4.483 -12.998 120 2HG MET 16 2HG MET 16 3.216 3.965 -14.340 121 1HE MET 16 1HE MET 16 1.745 7.003 -11.117 122 2HE MET 16 2HE MET 16 1.937 5.272 -10.784 123 3HE MET 16 3HE MET 16 3.368 6.276 -11.111 124 H VAL 17 H VAL 17 3.608 3.967 -9.332 125 HA VAL 17 HA VAL 17 2.447 1.953 -7.592 126 HB VAL 17 HB VAL 17 3.047 4.901 -7.185 127 1HG1 VAL 17 1HG1 VAL 17 1.287 4.278 -5.535 128 2HG1 VAL 17 2HG1 VAL 17 2.292 2.903 -5.018 129 3HG1 VAL 17 3HG1 VAL 17 2.884 4.554 -4.790 130 1HG2 VAL 17 1HG2 VAL 17 4.380 2.378 -6.190 131 2HG2 VAL 17 2HG2 VAL 17 4.936 3.445 -7.490 132 3HG2 VAL 17 3HG2 VAL 17 4.902 4.057 -5.846 133 H SER 18 H SER 18 0.363 1.807 -6.981 134 HA SER 18 HA SER 18 -1.531 2.799 -9.009 135 1HB SER 18 1HB SER 18 -1.251 0.333 -8.219 136 2HB SER 18 2HB SER 18 -2.228 0.811 -6.851 137 HG SER 18 HG SER 18 -3.309 -0.047 -8.851 138 H ASP 19 H ASP 19 -3.119 4.254 -8.626 139 HA ASP 19 HA ASP 19 -2.841 5.909 -6.338 140 1HB ASP 19 1HB ASP 19 -4.622 5.871 -8.795 141 2HB ASP 19 2HB ASP 19 -4.924 7.055 -7.537 142 H ARG 20 H ARG 20 -3.715 3.307 -5.481 143 HA ARG 20 HA ARG 20 -6.189 3.809 -4.019 144 1HB ARG 20 1HB ARG 20 -7.258 1.744 -5.387 145 2HB ARG 20 2HB ARG 20 -7.529 3.418 -5.854 146 1HG ARG 20 1HG ARG 20 -5.481 2.904 -7.537 147 2HG ARG 20 2HG ARG 20 -5.823 1.239 -7.101 148 1HD ARG 20 1HD ARG 20 -7.187 1.497 -8.954 149 2HD ARG 20 2HD ARG 20 -8.320 1.906 -7.665 150 HE ARG 20 HE ARG 20 -8.349 4.124 -8.421 151 1HH1 ARG 20 2HH2 ARG 20 -5.660 2.390 -10.054 152 2HH1 ARG 20 1HH2 ARG 20 -5.287 3.782 -11.023 153 1HH2 ARG 20 2HH1 ARG 20 -7.921 5.784 -9.968 154 2HH2 ARG 20 1HH1 ARG 20 -6.559 5.624 -11.046 155 H PHE 21 H PHE 21 -5.107 2.798 -2.096 156 HA PHE 21 HA PHE 21 -3.553 0.540 -2.254 157 1HB PHE 21 1HB PHE 21 -3.697 1.839 -0.220 158 2HB PHE 21 2HB PHE 21 -5.409 1.617 -0.102 159 HD1 PHE 21 HD1 PHE 21 -2.472 -0.682 -0.614 160 HD2 PHE 21 HD2 PHE 21 -5.960 0.254 1.755 161 HE1 PHE 21 HE1 PHE 21 -2.092 -2.701 0.695 162 HE2 PHE 21 HE2 PHE 21 -5.514 -1.760 3.157 163 HZ PHE 21 HZ PHE 21 -3.596 -3.232 2.650 164 H ALA 22 H ALA 22 -7.181 0.485 -1.813 165 HA ALA 22 HA ALA 22 -7.054 -2.359 -1.384 166 1HB ALA 22 1HB ALA 22 -9.503 -2.186 -1.289 167 2HB ALA 22 2HB ALA 22 -8.766 -0.884 -0.354 168 3HB ALA 22 3HB ALA 22 -9.449 -0.551 -1.970 169 H ARG 23 H ARG 23 -6.568 -0.697 -4.284 170 HA ARG 23 HA ARG 23 -7.973 -2.754 -5.878 171 1HB ARG 23 1HB ARG 23 -8.641 0.030 -5.657 172 2HB ARG 23 2HB ARG 23 -7.937 -0.218 -7.248 173 1HG ARG 23 1HG ARG 23 -10.110 -1.844 -5.957 174 2HG ARG 23 2HG ARG 23 -10.409 -0.553 -7.133 175 1HD ARG 23 1HD ARG 23 -8.627 -2.860 -8.003 176 2HD ARG 23 2HD ARG 23 -10.368 -3.090 -7.877 177 HE ARG 23 HE ARG 23 -10.799 -1.816 -9.631 178 1HH1 ARG 23 2HH2 ARG 23 -7.260 -1.323 -9.065 179 2HH1 ARG 23 1HH2 ARG 23 -7.065 -0.507 -10.562 180 1HH2 ARG 23 2HH1 ARG 23 -10.335 -1.145 -11.704 181 2HH2 ARG 23 1HH1 ARG 23 -8.904 -0.231 -12.020 182 H ALA 24 H ALA 24 -5.223 -3.056 -5.138 183 HA ALA 24 HA ALA 24 -3.834 -1.671 -7.352 184 1HB ALA 24 1HB ALA 24 -3.211 -0.724 -5.189 185 2HB ALA 24 2HB ALA 24 -2.771 -2.315 -4.570 186 3HB ALA 24 3HB ALA 24 -1.841 -1.614 -5.892 187 H GLU 25 H GLU 25 -3.334 -3.229 -8.804 188 HA GLU 25 HA GLU 25 -3.867 -5.947 -8.603 189 1HB GLU 25 1HB GLU 25 -2.123 -4.261 -10.421 190 2HB GLU 25 2HB GLU 25 -2.391 -5.999 -10.735 191 1HG GLU 25 1HG GLU 25 -4.838 -5.584 -10.742 192 2HG GLU 25 2HG GLU 25 -4.581 -3.898 -10.489 193 H TYR 26 H TYR 26 -0.809 -4.452 -7.541 194 HA TYR 26 HA TYR 26 0.156 -7.083 -6.809 195 1HB TYR 26 1HB TYR 26 1.740 -4.913 -8.320 196 2HB TYR 26 2HB TYR 26 2.425 -6.361 -7.610 197 HD1 TYR 26 HD1 TYR 26 0.459 -5.017 -10.370 198 HD2 TYR 26 HD2 TYR 26 1.987 -8.642 -8.643 199 HE1 TYR 26 HE1 TYR 26 0.264 -6.143 -12.589 200 HE2 TYR 26 HE2 TYR 26 1.915 -9.703 -10.863 201 HH TYR 26 HH TYR 26 0.194 -9.171 -13.157 202 H PHE 27 H PHE 27 1.557 -6.861 -4.960 203 HA PHE 27 HA PHE 27 1.589 -4.182 -3.646 204 1HB PHE 27 1HB PHE 27 0.764 -6.781 -2.335 205 2HB PHE 27 2HB PHE 27 1.236 -5.332 -1.456 206 HD1 PHE 27 HD1 PHE 27 -0.086 -3.155 -1.941 207 HD2 PHE 27 HD2 PHE 27 -1.473 -7.091 -3.023 208 HE1 PHE 27 HE1 PHE 27 -2.405 -2.300 -2.146 209 HE2 PHE 27 HE2 PHE 27 -3.785 -6.229 -3.202 210 HZ PHE 27 HZ PHE 27 -4.248 -3.845 -2.803 211 H ILE 28 H ILE 28 3.615 -3.687 -3.518 212 HA ILE 28 HA ILE 28 5.725 -5.774 -3.453 213 HB ILE 28 HB ILE 28 5.945 -2.763 -3.839 214 1HG1 ILE 28 1HG1 ILE 28 4.673 -3.491 -5.699 215 2HG1 ILE 28 2HG1 ILE 28 6.337 -3.424 -6.253 216 1HG2 ILE 28 1HG2 ILE 28 7.890 -5.081 -4.241 217 2HG2 ILE 28 2HG2 ILE 28 8.193 -3.436 -4.795 218 3HG2 ILE 28 3HG2 ILE 28 8.016 -3.742 -3.071 219 1HD1 ILE 28 1HD1 ILE 28 5.365 -5.485 -7.130 220 2HD1 ILE 28 2HD1 ILE 28 6.460 -5.937 -5.812 221 3HD1 ILE 28 3HD1 ILE 28 4.702 -5.915 -5.576 222 H ILE 29 H ILE 29 6.409 -6.406 -1.564 223 HA ILE 29 HA ILE 29 5.933 -4.660 0.809 224 HB ILE 29 HB ILE 29 6.056 -7.654 0.451 225 1HG1 ILE 29 1HG1 ILE 29 3.764 -5.863 1.346 226 2HG1 ILE 29 2HG1 ILE 29 3.987 -6.460 -0.302 227 1HG2 ILE 29 1HG2 ILE 29 5.793 -6.098 3.047 228 2HG2 ILE 29 2HG2 ILE 29 5.466 -7.835 2.894 229 3HG2 ILE 29 3HG2 ILE 29 7.090 -7.214 2.602 230 1HD1 ILE 29 1HD1 ILE 29 2.599 -8.050 0.434 231 2HD1 ILE 29 2HD1 ILE 29 4.118 -8.825 0.853 232 3HD1 ILE 29 3HD1 ILE 29 3.181 -7.975 2.118 233 H TYR 30 H TYR 30 7.761 -3.576 1.213 234 HA TYR 30 HA TYR 30 10.430 -4.767 0.677 235 1HB TYR 30 1HB TYR 30 9.805 -2.331 0.058 236 2HB TYR 30 2HB TYR 30 9.563 -2.027 1.746 237 HD1 TYR 30 HD1 TYR 30 11.269 -0.952 2.885 238 HD2 TYR 30 HD2 TYR 30 12.250 -3.423 -0.496 239 HE1 TYR 30 HE1 TYR 30 13.693 -0.512 3.267 240 HE2 TYR 30 HE2 TYR 30 14.641 -2.922 -0.197 241 HH TYR 30 HH TYR 30 16.154 -1.267 0.984 242 H ASP 31 H ASP 31 11.679 -5.425 2.339 243 HA ASP 31 HA ASP 31 10.623 -5.508 5.089 244 1HB ASP 31 1HB ASP 31 11.063 -7.573 3.528 245 2HB ASP 31 2HB ASP 31 12.746 -7.267 3.815 246 H THR 32 H THR 32 11.658 -4.040 6.474 247 HA THR 32 HA THR 32 14.263 -3.071 5.542 248 HB THR 32 HB THR 32 13.954 -1.241 6.753 249 HG1 THR 32 HG1 THR 32 13.419 -1.252 8.607 250 1HG2 THR 32 1HG2 THR 32 11.732 -0.322 6.400 251 2HG2 THR 32 2HG2 THR 32 12.350 -1.206 4.999 252 3HG2 THR 32 3HG2 THR 32 11.102 -1.923 6.015 253 H GLU 33 H GLU 33 14.428 -5.617 6.131 254 HA GLU 33 HA GLU 33 16.361 -5.656 8.407 255 1HB GLU 33 1HB GLU 33 14.256 -7.713 7.613 256 2HB GLU 33 2HB GLU 33 15.713 -8.248 8.418 257 1HG GLU 33 1HG GLU 33 14.093 -6.034 9.676 258 2HG GLU 33 2HG GLU 33 13.557 -7.704 9.788 259 H SER 34 H SER 34 15.604 -6.773 5.152 260 HA SER 34 HA SER 34 18.476 -6.447 4.951 261 1HB SER 34 1HB SER 34 17.960 -8.987 5.335 262 2HB SER 34 2HB SER 34 17.267 -8.978 3.717 263 HG SER 34 HG SER 34 19.194 -9.303 3.028 264 H GLY 35 H GLY 35 15.838 -5.170 3.986 265 1HA GLY 35 1HA GLY 35 15.119 -4.069 2.225 266 2HA GLY 35 2HA GLY 35 16.688 -4.244 1.418 267 H ASN 36 H ASN 36 14.788 -6.974 2.582 268 HA ASN 36 HA ASN 36 14.730 -8.236 -0.041 269 1HB ASN 36 1HB ASN 36 13.492 -8.949 2.663 270 2HB ASN 36 2HB ASN 36 13.022 -9.789 1.196 271 1HD2 ASN 36 1HD2 ASN 36 14.787 -10.487 3.781 272 2HD2 ASN 36 2HD2 ASN 36 16.077 -11.367 2.986 273 H VAL 37 H VAL 37 12.738 -8.726 -1.181 274 HA VAL 37 HA VAL 37 10.512 -7.013 -0.488 275 HB VAL 37 HB VAL 37 11.049 -7.114 -3.393 276 1HG1 VAL 37 1HG1 VAL 37 9.088 -5.949 -2.404 277 2HG1 VAL 37 2HG1 VAL 37 10.201 -4.892 -1.494 278 3HG1 VAL 37 3HG1 VAL 37 10.164 -4.828 -3.263 279 1HG2 VAL 37 1HG2 VAL 37 12.463 -5.084 -3.379 280 2HG2 VAL 37 2HG2 VAL 37 12.746 -5.302 -1.641 281 3HG2 VAL 37 3HG2 VAL 37 13.315 -6.522 -2.802 282 H GLU 38 H GLU 38 8.531 -7.667 -1.672 283 HA GLU 38 HA GLU 38 8.496 -10.413 -2.712 284 1HB GLU 38 1HB GLU 38 8.054 -10.766 -0.335 285 2HB GLU 38 2HB GLU 38 7.018 -9.367 -0.259 286 1HG GLU 38 1HG GLU 38 5.606 -11.241 -0.159 287 2HG GLU 38 2HG GLU 38 5.354 -10.528 -1.746 288 H VAL 39 H VAL 39 7.198 -10.427 -4.464 289 HA VAL 39 HA VAL 39 5.400 -8.099 -4.929 290 HB VAL 39 HB VAL 39 6.131 -10.329 -6.882 291 1HG1 VAL 39 1HG1 VAL 39 5.098 -8.725 -8.536 292 2HG1 VAL 39 2HG1 VAL 39 3.947 -9.394 -7.376 293 3HG1 VAL 39 3HG1 VAL 39 4.522 -7.739 -7.186 294 1HG2 VAL 39 1HG2 VAL 39 8.128 -8.902 -6.472 295 2HG2 VAL 39 2HG2 VAL 39 7.510 -8.813 -8.123 296 3HG2 VAL 39 3HG2 VAL 39 7.204 -7.491 -7.005 297 H VAL 40 H VAL 40 3.633 -8.539 -3.729 298 HA VAL 40 HA VAL 40 2.332 -11.202 -3.907 299 HB VAL 40 HB VAL 40 1.823 -8.570 -2.501 300 1HG1 VAL 40 1HG1 VAL 40 -0.451 -9.271 -1.853 301 2HG1 VAL 40 2HG1 VAL 40 -0.319 -8.921 -3.584 302 3HG1 VAL 40 3HG1 VAL 40 -0.364 -10.610 -3.025 303 1HG2 VAL 40 1HG2 VAL 40 1.749 -11.470 -1.633 304 2HG2 VAL 40 2HG2 VAL 40 3.055 -10.301 -1.335 305 3HG2 VAL 40 3HG2 VAL 40 1.473 -10.062 -0.573 306 H GLU 41 H GLU 41 0.608 -11.502 -5.271 307 HA GLU 41 HA GLU 41 0.084 -9.555 -7.454 308 1HB GLU 41 1HB GLU 41 1.338 -11.787 -7.913 309 2HB GLU 41 2HB GLU 41 -0.187 -12.595 -7.508 310 1HG GLU 41 1HG GLU 41 -1.311 -11.494 -9.354 311 2HG GLU 41 2HG GLU 41 0.125 -10.551 -9.715 312 H ASN 42 H ASN 42 -2.104 -8.833 -7.230 313 HA ASN 42 HA ASN 42 -3.889 -10.616 -5.692 314 1HB ASN 42 1HB ASN 42 -2.648 -8.976 -4.174 315 2HB ASN 42 2HB ASN 42 -3.682 -7.733 -4.887 316 1HD2 ASN 42 1HD2 ASN 42 -3.450 -9.482 -2.215 317 2HD2 ASN 42 2HD2 ASN 42 -5.064 -10.025 -1.925 318 H THR 43 H THR 43 -5.565 -10.910 -6.798 319 HA THR 43 HA THR 43 -6.115 -9.311 -9.115 320 HB THR 43 HB THR 43 -7.516 -11.428 -9.564 321 HG1 THR 43 HG1 THR 43 -7.203 -13.128 -8.051 322 1HG2 THR 43 1HG2 THR 43 -5.560 -12.845 -9.841 323 2HG2 THR 43 2HG2 THR 43 -5.099 -11.188 -10.227 324 3HG2 THR 43 3HG2 THR 43 -4.597 -11.907 -8.682 325 H ILE 44 H ILE 44 -6.884 -7.594 -7.106 326 HA ILE 44 HA ILE 44 -9.662 -7.989 -6.344 327 HB ILE 44 HB ILE 44 -9.228 -5.548 -5.548 328 1HG1 ILE 44 1HG1 ILE 44 -6.999 -5.638 -7.126 329 2HG1 ILE 44 2HG1 ILE 44 -7.199 -4.582 -5.787 330 1HG2 ILE 44 1HG2 ILE 44 -7.837 -7.944 -4.342 331 2HG2 ILE 44 2HG2 ILE 44 -8.047 -6.377 -3.528 332 3HG2 ILE 44 3HG2 ILE 44 -9.449 -7.341 -4.003 333 1HD1 ILE 44 1HD1 ILE 44 -5.038 -5.877 -5.903 334 2HD1 ILE 44 2HD1 ILE 44 -5.855 -5.844 -4.323 335 3HD1 ILE 44 3HD1 ILE 44 -5.951 -7.269 -5.370 336 H ALA 45 H ALA 45 -9.412 -8.145 -9.158 337 HA ALA 45 HA ALA 45 -10.466 -5.597 -10.249 338 1HB ALA 45 1HB ALA 45 -9.744 -8.247 -11.594 339 2HB ALA 45 2HB ALA 45 -10.155 -6.727 -12.411 340 3HB ALA 45 3HB ALA 45 -8.663 -6.848 -11.462 341 H ASP 46 H ASP 46 -12.234 -6.853 -8.282 342 HA ASP 46 HA ASP 46 -14.447 -7.512 -10.061 343 1HB ASP 46 1HB ASP 46 -13.163 -9.700 -9.472 344 2HB ASP 46 2HB ASP 46 -13.790 -9.480 -7.841 345 H ALA 47 H ALA 47 -16.494 -7.961 -8.883 346 HA ALA 47 HA ALA 47 -17.032 -5.914 -6.860 347 1HB ALA 47 1HB ALA 47 -18.644 -6.299 -8.681 348 2HB ALA 47 2HB ALA 47 -18.691 -8.041 -8.323 349 3HB ALA 47 3HB ALA 47 -19.363 -6.883 -7.172 350 H HIS 48 H HIS 48 -18.534 -6.718 -5.018 351 HA HIS 48 HA HIS 48 -18.753 -7.770 -3.062 352 1HB HIS 48 1HB HIS 48 -18.855 -9.954 -5.134 353 2HB HIS 48 2HB HIS 48 -18.920 -10.409 -3.446 354 HD1 HIS 48 HD1 HIS 48 -20.990 -9.580 -2.022 355 HD2 HIS 48 HD2 HIS 48 -20.980 -8.518 -6.100 356 HE1 HIS 48 HE1 HIS 48 -23.306 -8.574 -2.520 357 H GLY 49 H GLY 49 -17.823 -9.910 -1.699 358 1HA GLY 49 1HA GLY 49 -15.349 -10.854 -1.668 359 2HA GLY 49 2HA GLY 49 -14.994 -9.166 -1.278 360 H THR 50 H THR 50 -14.622 -11.497 0.383 361 HA THR 50 HA THR 50 -16.751 -11.597 2.334 362 HB THR 50 HB THR 50 -13.995 -12.913 2.240 363 HG1 THR 50 HG1 THR 50 -15.061 -13.376 0.377 364 1HG2 THR 50 1HG2 THR 50 -15.070 -14.802 3.415 365 2HG2 THR 50 2HG2 THR 50 -15.076 -13.354 4.415 366 3HG2 THR 50 3HG2 THR 50 -16.569 -13.858 3.574 367 H GLY 51 H GLY 51 -14.024 -9.498 2.086 368 1HA GLY 51 1HA GLY 51 -14.055 -8.234 4.548 369 2HA GLY 51 2HA GLY 51 -13.037 -9.674 4.750 370 HA PRO 52 HA PRO 52 -10.465 -6.216 3.067 371 1HB PRO 52 1HB PRO 52 -8.063 -6.998 4.017 372 2HB PRO 52 2HB PRO 52 -9.263 -6.081 4.960 373 1HG PRO 52 1HG PRO 52 -8.615 -9.005 5.003 374 2HG PRO 52 2HG PRO 52 -8.974 -7.973 6.395 375 1HD PRO 52 1HD PRO 52 -10.936 -9.546 5.367 376 2HD PRO 52 2HD PRO 52 -11.287 -7.912 6.007 377 H LYS 53 H LYS 53 -9.516 -9.702 3.003 378 HA LYS 53 HA LYS 53 -8.466 -11.003 1.492 379 1HB LYS 53 1HB LYS 53 -8.965 -8.929 -0.676 380 2HB LYS 53 2HB LYS 53 -8.502 -10.593 -0.883 381 1HG LYS 53 1HG LYS 53 -10.610 -11.427 -0.281 382 2HG LYS 53 2HG LYS 53 -11.118 -9.952 0.536 383 1HD LYS 53 1HD LYS 53 -10.549 -9.810 -2.426 384 2HD LYS 53 2HD LYS 53 -12.019 -10.576 -1.849 385 1HE LYS 53 1HE LYS 53 -12.518 -8.273 -2.354 386 2HE LYS 53 2HE LYS 53 -12.697 -8.573 -0.621 387 1HZ LYS 53 1HZ LYS 53 -11.602 -6.517 -0.923 388 2HZ LYS 53 2HZ LYS 53 -10.490 -7.529 -0.329 389 3HZ LYS 53 3HZ LYS 53 -10.484 -7.131 -1.933 390 H VAL 54 H VAL 54 -7.571 -7.808 0.272 391 HA VAL 54 HA VAL 54 -4.803 -8.228 -0.020 392 HB VAL 54 HB VAL 54 -5.568 -6.478 -1.243 393 1HG1 VAL 54 1HG1 VAL 54 -7.237 -5.397 1.036 394 2HG1 VAL 54 2HG1 VAL 54 -6.933 -4.542 -0.484 395 3HG1 VAL 54 3HG1 VAL 54 -7.773 -6.076 -0.526 396 1HG2 VAL 54 1HG2 VAL 54 -4.528 -4.980 1.186 397 2HG2 VAL 54 2HG2 VAL 54 -3.561 -5.731 -0.105 398 3HG2 VAL 54 3HG2 VAL 54 -4.628 -4.363 -0.455 399 H VAL 55 H VAL 55 -6.375 -6.255 2.536 400 HA VAL 55 HA VAL 55 -4.083 -5.984 4.125 401 HB VAL 55 HB VAL 55 -6.762 -5.968 5.456 402 1HG1 VAL 55 1HG1 VAL 55 -5.898 -3.822 6.346 403 2HG1 VAL 55 2HG1 VAL 55 -4.822 -5.177 6.679 404 3HG1 VAL 55 3HG1 VAL 55 -4.415 -4.028 5.385 405 1HG2 VAL 55 1HG2 VAL 55 -7.234 -3.692 4.459 406 2HG2 VAL 55 2HG2 VAL 55 -5.995 -4.039 3.226 407 3HG2 VAL 55 3HG2 VAL 55 -7.468 -5.015 3.335 408 H GLN 56 H GLN 56 -6.653 -8.508 4.630 409 HA GLN 56 HA GLN 56 -5.537 -9.669 6.757 410 1HB GLN 56 1HB GLN 56 -7.167 -10.773 4.548 411 2HB GLN 56 2HB GLN 56 -6.166 -11.952 5.370 412 1HG GLN 56 1HG GLN 56 -7.152 -10.741 7.583 413 2HG GLN 56 2HG GLN 56 -8.461 -10.387 6.513 414 1HE2 GLN 56 1HE2 GLN 56 -6.684 -12.928 8.107 415 2HE2 GLN 56 2HE2 GLN 56 -7.909 -14.158 7.885 416 H SER 57 H SER 57 -4.488 -10.306 3.349 417 HA SER 57 HA SER 57 -2.413 -12.154 4.144 418 1HB SER 57 1HB SER 57 -3.705 -11.447 1.740 419 2HB SER 57 2HB SER 57 -2.050 -10.838 1.547 420 HG SER 57 HG SER 57 -1.403 -13.053 2.324 421 H LEU 58 H LEU 58 -2.379 -8.662 3.310 422 HA LEU 58 HA LEU 58 0.509 -8.500 3.256 423 1HB LEU 58 1HB LEU 58 -1.588 -6.352 3.792 424 2HB LEU 58 2HB LEU 58 0.124 -6.082 3.491 425 HG LEU 58 HG LEU 58 -1.835 -7.214 1.462 426 1HD1 LEU 58 1HD1 LEU 58 -2.148 -4.834 1.937 427 2HD1 LEU 58 2HD1 LEU 58 -0.419 -4.527 1.685 428 3HD1 LEU 58 3HD1 LEU 58 -1.438 -5.052 0.327 429 1HD2 LEU 58 1HD2 LEU 58 0.402 -8.149 1.105 430 2HD2 LEU 58 2HD2 LEU 58 -0.083 -7.041 -0.162 431 3HD2 LEU 58 3HD2 LEU 58 1.071 -6.490 1.079 432 H VAL 59 H VAL 59 -1.931 -7.846 5.778 433 HA VAL 59 HA VAL 59 -0.159 -7.264 7.934 434 HB VAL 59 HB VAL 59 -2.978 -8.292 7.549 435 1HG1 VAL 59 1HG1 VAL 59 -3.407 -7.831 9.969 436 2HG1 VAL 59 2HG1 VAL 59 -2.466 -9.287 9.650 437 3HG1 VAL 59 3HG1 VAL 59 -1.648 -7.806 10.238 438 1HG2 VAL 59 1HG2 VAL 59 -1.813 -5.682 8.645 439 2HG2 VAL 59 2HG2 VAL 59 -2.531 -5.918 7.034 440 3HG2 VAL 59 3HG2 VAL 59 -3.544 -6.037 8.476 441 H SER 60 H SER 60 -1.241 -10.369 6.461 442 HA SER 60 HA SER 60 0.163 -11.899 8.469 443 1HB SER 60 1HB SER 60 -0.841 -12.783 5.746 444 2HB SER 60 2HB SER 60 -0.256 -13.834 7.038 445 HG SER 60 HG SER 60 -2.545 -12.142 7.074 446 H LYS 61 H LYS 61 1.476 -9.861 6.239 447 HA LYS 61 HA LYS 61 4.056 -11.341 6.223 448 1HB LYS 61 1HB LYS 61 2.726 -9.599 4.101 449 2HB LYS 61 2HB LYS 61 4.471 -9.690 4.177 450 1HG LYS 61 1HG LYS 61 4.618 -11.670 3.234 451 2HG LYS 61 2HG LYS 61 3.311 -12.368 4.181 452 1HD LYS 61 1HD LYS 61 1.639 -11.603 2.682 453 2HD LYS 61 2HD LYS 61 2.725 -10.469 1.884 454 1HE LYS 61 1HE LYS 61 3.698 -12.018 0.545 455 2HE LYS 61 2HE LYS 61 3.682 -13.273 1.781 456 1HZ LYS 61 1HZ LYS 61 2.214 -13.675 -0.156 457 2HZ LYS 61 2HZ LYS 61 1.496 -13.806 1.295 458 3HZ LYS 61 3HZ LYS 61 1.217 -12.484 0.340 459 H GLY 62 H GLY 62 2.925 -9.824 8.390 460 1HA GLY 62 1HA GLY 62 3.518 -8.241 9.877 461 2HA GLY 62 2HA GLY 62 5.132 -8.466 9.201 462 H VAL 63 H VAL 63 2.699 -7.072 7.109 463 HA VAL 63 HA VAL 63 4.264 -4.768 6.620 464 HB VAL 63 HB VAL 63 1.443 -5.651 5.867 465 1HG1 VAL 63 1HG1 VAL 63 1.430 -3.217 5.693 466 2HG1 VAL 63 2HG1 VAL 63 2.904 -3.275 4.712 467 3HG1 VAL 63 3HG1 VAL 63 1.380 -3.975 4.109 468 1HG2 VAL 63 1HG2 VAL 63 4.026 -5.436 4.251 469 2HG2 VAL 63 2HG2 VAL 63 3.355 -6.946 4.874 470 3HG2 VAL 63 3HG2 VAL 63 2.479 -6.049 3.640 471 H GLU 64 H GLU 64 4.569 -3.475 8.429 472 HA GLU 64 HA GLU 64 2.218 -2.580 10.072 473 1HB GLU 64 1HB GLU 64 5.248 -2.737 10.420 474 2HB GLU 64 2HB GLU 64 4.295 -1.710 11.453 475 1HG GLU 64 1HG GLU 64 2.896 -4.146 11.535 476 2HG GLU 64 2HG GLU 64 4.587 -4.624 11.509 477 H TYR 65 H TYR 65 2.565 -1.519 7.362 478 HA TYR 65 HA TYR 65 2.744 1.318 7.628 479 1HB TYR 65 1HB TYR 65 5.116 -0.335 6.730 480 2HB TYR 65 2HB TYR 65 4.852 1.219 6.043 481 HD1 TYR 65 HD1 TYR 65 6.814 -0.186 8.290 482 HD2 TYR 65 HD2 TYR 65 4.311 3.213 7.694 483 HE1 TYR 65 HE1 TYR 65 8.045 1.039 10.143 484 HE2 TYR 65 HE2 TYR 65 5.552 4.484 9.423 485 HH TYR 65 HH TYR 65 8.405 3.720 10.772 486 H LEU 66 H LEU 66 2.706 2.182 5.382 487 HA LEU 66 HA LEU 66 2.416 0.488 3.072 488 1HB LEU 66 1HB LEU 66 0.303 -0.090 3.916 489 2HB LEU 66 2HB LEU 66 -0.014 1.524 4.520 490 HG LEU 66 HG LEU 66 -0.347 2.391 2.246 491 1HD1 LEU 66 1HD1 LEU 66 -0.018 -0.511 1.357 492 2HD1 LEU 66 2HD1 LEU 66 -0.885 0.715 0.405 493 3HD1 LEU 66 3HD1 LEU 66 0.805 0.930 0.712 494 1HD2 LEU 66 1HD2 LEU 66 -2.546 1.444 1.965 495 2HD2 LEU 66 2HD2 LEU 66 -2.080 -0.030 2.859 496 3HD2 LEU 66 3HD2 LEU 66 -2.192 1.529 3.683 497 H ILE 67 H ILE 67 2.438 1.798 1.188 498 HA ILE 67 HA ILE 67 2.371 4.776 1.554 499 HB ILE 67 HB ILE 67 4.030 3.013 -0.342 500 1HG1 ILE 67 1HG1 ILE 67 5.057 5.100 1.687 501 2HG1 ILE 67 2HG1 ILE 67 4.777 3.478 2.231 502 1HG2 ILE 67 1HG2 ILE 67 3.578 4.970 -1.601 503 2HG2 ILE 67 2HG2 ILE 67 3.644 6.041 -0.173 504 3HG2 ILE 67 3HG2 ILE 67 5.128 5.355 -0.835 505 1HD1 ILE 67 1HD1 ILE 67 6.418 2.517 0.810 506 2HD1 ILE 67 2HD1 ILE 67 6.719 4.065 0.017 507 3HD1 ILE 67 3HD1 ILE 67 7.117 3.866 1.727 508 H ALA 68 H ALA 68 0.306 5.328 0.794 509 HA ALA 68 HA ALA 68 -0.464 4.397 -1.872 510 1HB ALA 68 1HB ALA 68 -1.386 2.621 -0.440 511 2HB ALA 68 2HB ALA 68 -2.189 3.831 0.587 512 3HB ALA 68 3HB ALA 68 -2.678 3.633 -1.115 513 H SER 69 H SER 69 -1.476 6.017 -2.883 514 HA SER 69 HA SER 69 -1.662 8.565 -1.626 515 1HB SER 69 1HB SER 69 -2.677 9.308 -3.721 516 2HB SER 69 2HB SER 69 -1.287 8.277 -4.041 517 HG SER 69 HG SER 69 -3.618 7.981 -4.993 518 H ASN 70 H ASN 70 -4.031 5.990 -1.834 519 HA ASN 70 HA ASN 70 -5.968 7.340 -0.251 520 1HB ASN 70 1HB ASN 70 -6.203 8.257 -2.808 521 2HB ASN 70 2HB ASN 70 -6.915 6.696 -3.110 522 1HD2 ASN 70 1HD2 ASN 70 -9.099 7.543 -3.511 523 2HD2 ASN 70 2HD2 ASN 70 -9.978 8.387 -2.253 524 H VAL 71 H VAL 71 -8.223 5.737 -0.904 525 HA VAL 71 HA VAL 71 -7.273 2.984 -1.294 526 HB VAL 71 HB VAL 71 -7.323 3.680 1.139 527 1HG1 VAL 71 1HG1 VAL 71 -10.341 3.381 0.948 528 2HG1 VAL 71 2HG1 VAL 71 -9.342 3.790 2.355 529 3HG1 VAL 71 3HG1 VAL 71 -9.540 4.952 1.037 530 1HG2 VAL 71 1HG2 VAL 71 -7.437 1.313 0.340 531 2HG2 VAL 71 2HG2 VAL 71 -8.064 1.660 1.951 532 3HG2 VAL 71 3HG2 VAL 71 -9.190 1.379 0.588 533 H GLY 72 H GLY 72 -8.732 1.866 -2.609 534 1HA GLY 72 1HA GLY 72 -10.656 3.351 -4.076 535 2HA GLY 72 2HA GLY 72 -10.489 1.607 -4.072 536 H ARG 73 H ARG 73 -10.957 1.230 -1.224 537 HA ARG 73 HA ARG 73 -13.180 2.221 0.021 538 1HB ARG 73 1HB ARG 73 -14.917 0.527 -0.499 539 2HB ARG 73 2HB ARG 73 -14.617 1.568 -1.858 540 1HG ARG 73 1HG ARG 73 -12.889 -0.817 -1.991 541 2HG ARG 73 2HG ARG 73 -14.562 -1.291 -1.804 542 1HD ARG 73 1HD ARG 73 -13.767 0.769 -3.881 543 2HD ARG 73 2HD ARG 73 -13.536 -0.951 -4.164 544 HE ARG 73 HE ARG 73 -16.113 -0.976 -3.454 545 1HH1 ARG 73 2HH2 ARG 73 -14.399 0.983 -5.871 546 2HH1 ARG 73 1HH2 ARG 73 -15.841 1.598 -6.602 547 1HH2 ARG 73 2HH1 ARG 73 -18.007 -0.495 -4.655 548 2HH2 ARG 73 1HH1 ARG 73 -17.910 0.590 -5.990 549 H ASN 74 H ASN 74 -14.032 0.409 1.586 550 HA ASN 74 HA ASN 74 -13.618 -1.182 3.110 551 1HB ASN 74 1HB ASN 74 -14.436 -1.960 0.468 552 2HB ASN 74 2HB ASN 74 -13.544 -3.303 1.147 553 1HD2 ASN 74 1HD2 ASN 74 -16.615 -2.142 0.890 554 2HD2 ASN 74 2HD2 ASN 74 -17.228 -2.695 2.439 555 H ALA 75 H ALA 75 -11.276 -0.146 3.328 556 HA ALA 75 HA ALA 75 -9.753 -2.512 4.074 557 1HB ALA 75 1HB ALA 75 -8.499 -0.543 2.136 558 2HB ALA 75 2HB ALA 75 -7.675 -1.898 2.925 559 3HB ALA 75 3HB ALA 75 -8.951 -2.222 1.734 560 H PHE 76 H PHE 76 -10.181 1.018 4.173 561 HA PHE 76 HA PHE 76 -7.759 1.661 5.504 562 1HB PHE 76 1HB PHE 76 -8.967 3.370 4.470 563 2HB PHE 76 2HB PHE 76 -10.467 2.917 5.247 564 HD1 PHE 76 HD1 PHE 76 -11.158 3.933 7.298 565 HD2 PHE 76 HD2 PHE 76 -7.111 4.473 5.912 566 HE1 PHE 76 HE1 PHE 76 -10.947 5.952 8.708 567 HE2 PHE 76 HE2 PHE 76 -6.921 6.538 7.244 568 HZ PHE 76 HZ PHE 76 -8.898 7.303 8.640 569 H GLU 77 H GLU 77 -10.860 0.513 6.780 570 HA GLU 77 HA GLU 77 -10.225 1.228 9.519 571 1HB GLU 77 1HB GLU 77 -12.303 -0.777 8.560 572 2HB GLU 77 2HB GLU 77 -12.242 0.108 10.095 573 1HG GLU 77 1HG GLU 77 -12.317 2.264 8.687 574 2HG GLU 77 2HG GLU 77 -12.747 1.248 7.312 575 H THR 78 H THR 78 -9.692 -1.555 7.361 576 HA THR 78 HA THR 78 -8.853 -3.316 9.466 577 HB THR 78 HB THR 78 -8.304 -3.628 6.477 578 HG1 THR 78 HG1 THR 78 -10.367 -4.301 6.219 579 1HG2 THR 78 1HG2 THR 78 -8.667 -6.017 7.097 580 2HG2 THR 78 2HG2 THR 78 -7.275 -5.308 7.908 581 3HG2 THR 78 3HG2 THR 78 -8.780 -5.558 8.805 582 H LEU 79 H LEU 79 -7.377 -0.707 7.732 583 HA LEU 79 HA LEU 79 -4.626 -1.628 7.989 584 1HB LEU 79 1HB LEU 79 -5.792 1.168 7.471 585 2HB LEU 79 2HB LEU 79 -4.081 0.827 7.534 586 HG LEU 79 HG LEU 79 -5.802 -0.827 5.667 587 1HD1 LEU 79 1HD1 LEU 79 -4.427 1.230 4.142 588 2HD1 LEU 79 2HD1 LEU 79 -6.091 0.692 4.074 589 3HD1 LEU 79 3HD1 LEU 79 -5.625 1.945 5.234 590 1HD2 LEU 79 1HD2 LEU 79 -2.869 -0.091 5.743 591 2HD2 LEU 79 2HD2 LEU 79 -3.596 -1.662 6.137 592 3HD2 LEU 79 3HD2 LEU 79 -3.628 -1.073 4.487 593 H LYS 80 H LYS 80 -6.592 0.776 9.752 594 HA LYS 80 HA LYS 80 -4.656 1.046 11.866 595 1HB LYS 80 1HB LYS 80 -6.661 2.115 12.986 596 2HB LYS 80 2HB LYS 80 -5.938 2.826 11.520 597 1HG LYS 80 1HG LYS 80 -7.992 1.461 10.396 598 2HG LYS 80 2HG LYS 80 -8.679 1.692 11.988 599 1HD LYS 80 1HD LYS 80 -9.247 3.422 10.248 600 2HD LYS 80 2HD LYS 80 -8.595 4.094 11.743 601 1HE LYS 80 1HE LYS 80 -6.677 3.504 9.450 602 2HE LYS 80 2HE LYS 80 -7.838 4.822 9.280 603 1HZ LYS 80 1HZ LYS 80 -5.733 4.727 11.367 604 2HZ LYS 80 2HZ LYS 80 -5.993 5.890 10.258 605 3HZ LYS 80 3HZ LYS 80 -7.030 5.689 11.480 606 H ALA 81 H ALA 81 -7.434 -1.088 11.391 607 HA ALA 81 HA ALA 81 -7.292 -2.321 13.953 608 1HB ALA 81 1HB ALA 81 -8.034 -3.721 11.371 609 2HB ALA 81 2HB ALA 81 -8.531 -4.143 13.012 610 3HB ALA 81 3HB ALA 81 -9.148 -2.653 12.282 611 H ALA 82 H ALA 82 -4.711 -2.261 11.705 612 HA ALA 82 HA ALA 82 -3.401 -4.230 13.489 613 1HB ALA 82 1HB ALA 82 -3.199 -4.142 10.439 614 2HB ALA 82 2HB ALA 82 -2.133 -5.100 11.497 615 3HB ALA 82 3HB ALA 82 -3.868 -5.469 11.413 616 H GLY 83 H GLY 83 -3.603 -1.345 13.564 617 1HA GLY 83 1HA GLY 83 -2.476 0.558 13.547 618 2HA GLY 83 2HA GLY 83 -1.152 -0.412 14.228 619 H VAL 84 H VAL 84 -2.345 -0.522 10.844 620 HA VAL 84 HA VAL 84 0.376 -0.333 9.941 621 HB VAL 84 HB VAL 84 -2.270 -0.492 8.410 622 1HG1 VAL 84 1HG1 VAL 84 -1.032 -1.407 6.546 623 2HG1 VAL 84 2HG1 VAL 84 -0.294 0.148 6.958 624 3HG1 VAL 84 3HG1 VAL 84 0.473 -1.382 7.461 625 1HG2 VAL 84 1HG2 VAL 84 -2.097 -2.320 9.945 626 2HG2 VAL 84 2HG2 VAL 84 -1.836 -2.928 8.308 627 3HG2 VAL 84 3HG2 VAL 84 -0.458 -2.698 9.430 628 H LYS 85 H LYS 85 1.481 1.474 9.646 629 HA LYS 85 HA LYS 85 0.102 3.980 9.547 630 1HB LYS 85 1HB LYS 85 2.887 3.061 9.873 631 2HB LYS 85 2HB LYS 85 2.762 4.572 8.951 632 1HG LYS 85 1HG LYS 85 1.447 5.620 10.701 633 2HG LYS 85 2HG LYS 85 1.433 4.115 11.641 634 1HD LYS 85 1HD LYS 85 3.941 4.208 11.736 635 2HD LYS 85 2HD LYS 85 3.885 5.756 10.847 636 1HE LYS 85 1HE LYS 85 2.522 6.742 12.667 637 2HE LYS 85 2HE LYS 85 2.507 5.183 13.523 638 1HZ LYS 85 1HZ LYS 85 4.104 6.671 14.418 639 2HZ LYS 85 2HZ LYS 85 4.864 5.362 13.818 640 3HZ LYS 85 3HZ LYS 85 4.892 6.818 12.976 641 H VAL 86 H VAL 86 -0.997 4.394 7.771 642 HA VAL 86 HA VAL 86 -0.058 3.705 5.075 643 HB VAL 86 HB VAL 86 -2.571 5.186 5.993 644 1HG1 VAL 86 1HG1 VAL 86 -1.829 3.845 3.354 645 2HG1 VAL 86 2HG1 VAL 86 -3.482 4.366 3.788 646 3HG1 VAL 86 3HG1 VAL 86 -2.173 5.550 3.633 647 1HG2 VAL 86 1HG2 VAL 86 -1.963 2.221 5.781 648 2HG2 VAL 86 2HG2 VAL 86 -2.730 3.124 7.084 649 3HG2 VAL 86 3HG2 VAL 86 -3.618 2.878 5.602 650 H TYR 87 H TYR 87 1.320 5.078 4.055 651 HA TYR 87 HA TYR 87 1.352 7.955 4.695 652 1HB TYR 87 1HB TYR 87 3.187 6.034 3.246 653 2HB TYR 87 2HB TYR 87 3.228 7.718 2.819 654 HD1 TYR 87 HD1 TYR 87 3.139 5.557 6.034 655 HD2 TYR 87 HD2 TYR 87 4.615 9.103 4.086 656 HE1 TYR 87 HE1 TYR 87 4.488 6.111 8.013 657 HE2 TYR 87 HE2 TYR 87 5.939 9.671 5.971 658 HH TYR 87 HH TYR 87 6.805 8.750 8.221 659 H ARG 88 H ARG 88 1.252 9.422 2.897 660 HA ARG 88 HA ARG 88 -0.555 8.588 0.675 661 1HB ARG 88 1HB ARG 88 -0.842 10.834 1.873 662 2HB ARG 88 2HB ARG 88 0.715 11.313 1.239 663 1HG ARG 88 1HG ARG 88 -0.177 11.946 -0.696 664 2HG ARG 88 2HG ARG 88 -0.787 10.357 -0.995 665 1HD ARG 88 1HD ARG 88 -2.716 11.471 -1.225 666 2HD ARG 88 2HD ARG 88 -2.837 10.968 0.448 667 HE ARG 88 HE ARG 88 -3.099 13.176 0.932 668 1HH1 ARG 88 2HH2 ARG 88 -1.163 13.043 -2.065 669 2HH1 ARG 88 1HH2 ARG 88 -0.974 14.765 -2.173 670 1HH2 ARG 88 2HH1 ARG 88 -2.887 15.448 0.726 671 2HH2 ARG 88 1HH1 ARG 88 -2.078 16.127 -0.640 672 H PHE 89 H PHE 89 0.309 8.948 -1.545 673 HA PHE 89 HA PHE 89 3.056 9.788 -1.845 674 1HB PHE 89 1HB PHE 89 3.885 7.803 -2.458 675 2HB PHE 89 2HB PHE 89 2.387 7.029 -2.073 676 HD1 PHE 89 HD1 PHE 89 0.438 7.131 -3.676 677 HD2 PHE 89 HD2 PHE 89 4.547 7.560 -4.969 678 HE1 PHE 89 HE1 PHE 89 -0.276 6.846 -6.049 679 HE2 PHE 89 HE2 PHE 89 3.836 7.194 -7.232 680 HZ PHE 89 HZ PHE 89 1.445 6.925 -7.847 681 H GLU 90 H GLU 90 3.279 10.654 -4.230 682 HA GLU 90 HA GLU 90 0.665 11.161 -5.482 683 1HB GLU 90 1HB GLU 90 1.286 12.874 -3.581 684 2HB GLU 90 2HB GLU 90 2.399 13.528 -4.755 685 1HG GLU 90 1HG GLU 90 -0.616 13.239 -4.986 686 2HG GLU 90 2HG GLU 90 0.266 14.729 -4.736 687 H GLY 91 H GLY 91 1.999 9.607 -6.786 688 1HA GLY 91 1HA GLY 91 2.456 9.531 -9.122 689 2HA GLY 91 2HA GLY 91 3.213 11.133 -9.034 690 H GLY 92 H GLY 92 4.119 8.197 -9.804 691 1HA GLY 92 1HA GLY 92 6.799 8.210 -9.551 692 2HA GLY 92 2HA GLY 92 6.281 7.840 -7.900 693 H THR 93 H THR 93 7.786 6.159 -9.783 694 HA THR 93 HA THR 93 6.023 3.839 -10.069 695 HB THR 93 HB THR 93 8.021 2.685 -10.842 696 HG1 THR 93 HG1 THR 93 9.399 5.087 -10.244 697 1HG2 THR 93 1HG2 THR 93 6.750 4.105 -12.456 698 2HG2 THR 93 2HG2 THR 93 7.905 5.419 -12.162 699 3HG2 THR 93 3HG2 THR 93 8.464 3.895 -12.874 700 H VAL 94 H VAL 94 6.760 1.731 -8.880 701 HA VAL 94 HA VAL 94 6.501 1.900 -6.237 702 HB VAL 94 HB VAL 94 8.063 -0.157 -7.826 703 1HG1 VAL 94 1HG1 VAL 94 7.104 -0.381 -4.955 704 2HG1 VAL 94 2HG1 VAL 94 7.798 -1.668 -5.986 705 3HG1 VAL 94 3HG1 VAL 94 8.796 -0.302 -5.497 706 1HG2 VAL 94 1HG2 VAL 94 5.642 0.103 -8.377 707 2HG2 VAL 94 2HG2 VAL 94 5.994 -1.435 -7.602 708 3HG2 VAL 94 3HG2 VAL 94 5.242 -0.128 -6.670 709 H GLN 95 H GLN 95 9.790 2.137 -7.714 710 HA GLN 95 HA GLN 95 11.086 2.454 -5.293 711 1HB GLN 95 1HB GLN 95 12.051 2.285 -7.696 712 2HB GLN 95 2HB GLN 95 11.895 4.032 -7.778 713 1HG GLN 95 1HG GLN 95 13.364 4.322 -5.836 714 2HG GLN 95 2HG GLN 95 13.414 2.580 -5.563 715 1HE2 GLN 95 1HE2 GLN 95 13.827 1.714 -8.298 716 2HE2 GLN 95 2HE2 GLN 95 15.456 2.197 -8.707 717 H GLU 96 H GLU 96 9.279 5.032 -6.856 718 HA GLU 96 HA GLU 96 10.522 7.265 -5.571 719 1HB GLU 96 1HB GLU 96 7.943 6.716 -7.070 720 2HB GLU 96 2HB GLU 96 8.222 8.270 -6.299 721 1HG GLU 96 1HG GLU 96 8.776 8.620 -8.510 722 2HG GLU 96 2HG GLU 96 10.290 8.559 -7.614 723 H ALA 97 H ALA 97 7.511 5.269 -5.045 724 HA ALA 97 HA ALA 97 6.543 6.578 -2.812 725 1HB ALA 97 1HB ALA 97 6.057 3.995 -2.170 726 2HB ALA 97 2HB ALA 97 5.252 4.776 -3.558 727 3HB ALA 97 3HB ALA 97 6.655 3.715 -3.783 728 H ILE 98 H ILE 98 9.434 4.516 -3.025 729 HA ILE 98 HA ILE 98 9.768 4.368 -0.107 730 HB ILE 98 HB ILE 98 11.794 3.520 -2.200 731 1HG1 ILE 98 1HG1 ILE 98 9.934 2.731 -3.158 732 2HG1 ILE 98 2HG1 ILE 98 10.813 1.368 -2.466 733 1HG2 ILE 98 1HG2 ILE 98 12.086 1.650 -0.468 734 2HG2 ILE 98 2HG2 ILE 98 12.408 3.264 0.196 735 3HG2 ILE 98 3HG2 ILE 98 10.880 2.438 0.542 736 1HD1 ILE 98 1HD1 ILE 98 8.444 1.055 -2.222 737 2HD1 ILE 98 2HD1 ILE 98 9.197 1.217 -0.614 738 3HD1 ILE 98 3HD1 ILE 98 8.244 2.567 -1.315 739 H ASP 99 H ASP 99 11.593 5.638 -2.910 740 HA ASP 99 HA ASP 99 13.669 6.904 -1.463 741 1HB ASP 99 1HB ASP 99 12.605 6.946 -4.262 742 2HB ASP 99 2HB ASP 99 13.448 8.391 -3.773 743 H ALA 100 H ALA 100 10.370 7.801 -2.128 744 HA ALA 100 HA ALA 100 10.678 10.583 -1.243 745 1HB ALA 100 1HB ALA 100 8.894 9.891 -2.827 746 2HB ALA 100 2HB ALA 100 8.178 8.859 -1.599 747 3HB ALA 100 3HB ALA 100 8.241 10.639 -1.368 748 H PHE 101 H PHE 101 9.090 7.657 0.197 749 HA PHE 101 HA PHE 101 8.623 8.668 2.751 750 1HB PHE 101 1HB PHE 101 7.525 6.736 2.370 751 2HB PHE 101 2HB PHE 101 8.815 6.016 1.449 752 HD1 PHE 101 HD1 PHE 101 7.106 5.875 4.629 753 HD2 PHE 101 HD2 PHE 101 10.708 4.903 2.473 754 HE1 PHE 101 HE1 PHE 101 7.715 4.241 6.379 755 HE2 PHE 101 HE2 PHE 101 11.369 3.352 4.220 756 HZ PHE 101 HZ PHE 101 9.841 2.964 6.210 757 H SER 102 H SER 102 11.463 6.936 1.613 758 HA SER 102 HA SER 102 12.921 6.918 4.130 759 1HB SER 102 1HB SER 102 13.329 5.786 1.431 760 2HB SER 102 2HB SER 102 14.664 5.921 2.661 761 HG SER 102 HG SER 102 13.445 3.926 2.510 762 H GLU 103 H GLU 103 12.722 9.314 1.529 763 HA GLU 103 HA GLU 103 14.808 10.748 3.133 764 1HB GLU 103 1HB GLU 103 14.012 11.299 0.243 765 2HB GLU 103 2HB GLU 103 15.124 12.234 1.229 766 1HG GLU 103 1HG GLU 103 16.203 9.656 1.392 767 2HG GLU 103 2HG GLU 103 15.618 9.750 -0.267 768 H GLY 104 H GLY 104 12.115 10.225 3.797 769 1HA GLY 104 1HA GLY 104 10.455 11.204 4.900 770 2HA GLY 104 2HA GLY 104 11.556 12.573 5.144 771 H ARG 105 H ARG 105 10.574 11.943 1.868 772 HA ARG 105 HA ARG 105 9.077 14.510 1.860 773 1HB ARG 105 1HB ARG 105 10.366 12.629 -0.164 774 2HB ARG 105 2HB ARG 105 9.189 13.800 -0.712 775 1HG ARG 105 1HG ARG 105 10.484 15.652 0.176 776 2HG ARG 105 2HG ARG 105 11.741 14.534 0.760 777 1HD ARG 105 1HD ARG 105 12.396 13.923 -1.425 778 2HD ARG 105 2HD ARG 105 10.825 14.369 -2.103 779 HE ARG 105 HE ARG 105 12.536 16.517 -1.016 780 1HH1 ARG 105 2HH2 ARG 105 11.340 14.817 -3.926 781 2HH1 ARG 105 1HH2 ARG 105 11.453 16.207 -4.950 782 1HH2 ARG 105 2HH1 ARG 105 12.562 18.441 -2.427 783 2HH2 ARG 105 1HH1 ARG 105 12.074 18.228 -4.083 784 H LEU 106 H LEU 106 7.655 12.239 3.194 785 HA LEU 106 HA LEU 106 5.319 12.340 1.410 786 1HB LEU 106 1HB LEU 106 6.356 9.820 2.757 787 2HB LEU 106 2HB LEU 106 4.729 9.981 2.201 788 HG LEU 106 HG LEU 106 7.237 9.928 0.529 789 1HD1 LEU 106 1HD1 LEU 106 6.353 7.885 -0.341 790 2HD1 LEU 106 2HD1 LEU 106 6.092 7.794 1.413 791 3HD1 LEU 106 3HD1 LEU 106 4.761 8.154 0.342 792 1HD2 LEU 106 1HD2 LEU 106 4.381 10.618 -0.328 793 2HD2 LEU 106 2HD2 LEU 106 5.870 11.427 -0.801 794 3HD2 LEU 106 3HD2 LEU 106 5.515 9.854 -1.473 795 H GLU 107 H GLU 107 3.353 11.564 2.636 796 HA GLU 107 HA GLU 107 3.277 13.039 5.217 797 1HB GLU 107 1HB GLU 107 0.933 12.448 3.369 798 2HB GLU 107 2HB GLU 107 1.049 13.676 4.625 799 1HG GLU 107 1HG GLU 107 2.529 13.699 1.953 800 2HG GLU 107 2HG GLU 107 1.058 14.590 2.322 801 H GLU 108 H GLU 108 2.069 11.941 6.972 802 HA GLU 108 HA GLU 108 1.578 9.087 6.623 803 1HB GLU 108 1HB GLU 108 2.832 9.946 8.634 804 2HB GLU 108 2HB GLU 108 1.416 10.973 9.008 805 1HG GLU 108 1HG GLU 108 0.011 9.032 9.116 806 2HG GLU 108 2HG GLU 108 1.347 7.919 8.771 807 H LEU 109 H LEU 109 -0.332 8.629 5.778 808 HA LEU 109 HA LEU 109 -2.513 10.618 5.776 809 1HB LEU 109 1HB LEU 109 -1.474 9.747 3.616 810 2HB LEU 109 2HB LEU 109 -2.196 8.190 4.035 811 HG LEU 109 HG LEU 109 -4.423 9.496 4.230 812 1HD1 LEU 109 1HD1 LEU 109 -3.690 11.776 4.253 813 2HD1 LEU 109 2HD1 LEU 109 -2.814 11.575 2.731 814 3HD1 LEU 109 3HD1 LEU 109 -4.589 11.499 2.760 815 1HD2 LEU 109 1HD2 LEU 109 -3.098 9.068 1.559 816 2HD2 LEU 109 2HD2 LEU 109 -4.034 7.905 2.521 817 3HD2 LEU 109 3HD2 LEU 109 -4.852 9.314 1.828 818 H THR 110 H THR 110 -2.393 9.527 8.256 819 HA THR 110 HA THR 110 -3.757 6.889 8.152 820 HB THR 110 HB THR 110 -3.067 6.958 10.593 821 HG1 THR 110 HG1 THR 110 -1.286 8.714 10.774 822 1HG2 THR 110 1HG2 THR 110 -0.969 7.333 8.397 823 2HG2 THR 110 2HG2 THR 110 -0.630 6.705 10.020 824 3HG2 THR 110 3HG2 THR 110 -1.715 5.817 8.938 825 H THR 111 H THR 111 -5.347 9.276 7.413 826 HA THR 111 HA THR 111 -7.665 8.871 9.126 827 HB THR 111 HB THR 111 -6.428 10.040 10.790 828 HG1 THR 111 HG1 THR 111 -8.391 11.463 9.484 829 1HG2 THR 111 1HG2 THR 111 -4.703 11.214 9.472 830 2HG2 THR 111 2HG2 THR 111 -5.947 12.315 8.830 831 3HG2 THR 111 3HG2 THR 111 -5.565 12.303 10.564 832 H PHE 112 H PHE 112 -7.270 8.851 6.258 833 HA PHE 112 HA PHE 112 -8.321 11.400 5.245 834 1HB PHE 112 1HB PHE 112 -7.949 10.388 3.050 835 2HB PHE 112 2HB PHE 112 -6.520 10.462 4.032 836 HD1 PHE 112 HD1 PHE 112 -8.370 8.401 1.869 837 HD2 PHE 112 HD2 PHE 112 -5.912 8.221 5.379 838 HE1 PHE 112 HE1 PHE 112 -7.759 6.109 1.339 839 HE2 PHE 112 HE2 PHE 112 -5.288 5.907 4.859 840 HZ PHE 112 HZ PHE 112 -6.205 4.805 2.822 841 H THR 113 H THR 113 -10.112 11.005 3.404 842 HA THR 113 HA THR 113 -12.188 9.176 4.526 843 HB THR 113 HB THR 113 -13.844 10.504 3.565 844 HG1 THR 113 HG1 THR 113 -11.957 12.466 2.730 845 1HG2 THR 113 1HG2 THR 113 -13.764 12.546 4.906 846 2HG2 THR 113 2HG2 THR 113 -13.144 11.168 5.822 847 3HG2 THR 113 3HG2 THR 113 -12.014 12.364 5.143 848 H ARG 114 H ARG 114 -13.728 8.356 2.695 849 HA ARG 114 HA ARG 114 -12.439 8.221 0.050 850 1HB ARG 114 1HB ARG 114 -11.627 6.222 1.139 851 2HB ARG 114 2HB ARG 114 -13.219 5.832 1.781 852 1HG ARG 114 1HG ARG 114 -12.625 5.851 -1.204 853 2HG ARG 114 2HG ARG 114 -12.315 4.453 -0.187 854 1HD ARG 114 1HD ARG 114 -15.040 5.663 -0.773 855 2HD ARG 114 2HD ARG 114 -14.409 4.127 -1.326 856 HE ARG 114 HE ARG 114 -14.487 4.365 1.579 857 1HH1 ARG 114 2HH2 ARG 114 -16.766 3.847 -1.120 858 2HH1 ARG 114 1HH2 ARG 114 -17.563 2.521 -0.316 859 1HH2 ARG 114 2HH1 ARG 114 -15.821 2.862 2.732 860 2HH2 ARG 114 1HH1 ARG 114 -17.207 2.227 1.966 861 H GLU 115 H GLU 115 -13.864 8.889 -1.345 862 HA GLU 115 HA GLU 115 -16.440 7.615 -1.273 863 1HB GLU 115 1HB GLU 115 -16.601 9.686 0.198 864 2HB GLU 115 2HB GLU 115 -16.365 10.647 -1.251 865 1HG GLU 115 1HG GLU 115 -18.738 10.528 -0.820 866 2HG GLU 115 2HG GLU 115 -18.395 9.593 -2.278 867 H GLY 116 H GLY 116 -15.739 6.621 -3.140 868 1HA GLY 116 1HA GLY 116 -16.240 7.986 -5.595 869 2HA GLY 116 2HA GLY 116 -14.517 7.599 -5.414 Start of MODEL 10 1 1H MET 1 H1 MET 1 12.801 0.140 12.525 2 HA MET 1 HA MET 1 12.643 -0.531 9.687 3 1HB MET 1 1HB MET 1 12.801 -2.861 10.197 4 2HB MET 1 2HB MET 1 14.195 -2.022 10.880 5 1HG MET 1 1HG MET 1 11.766 -3.119 12.334 6 2HG MET 1 2HG MET 1 13.414 -3.737 12.369 7 1HE MET 1 1HE MET 1 12.969 -2.724 16.003 8 2HE MET 1 2HE MET 1 11.799 -3.464 14.883 9 3HE MET 1 3HE MET 1 13.507 -3.949 14.833 10 H ALA 2 H ALA 2 10.754 -1.186 8.772 11 HA ALA 2 HA ALA 2 8.895 -2.705 10.146 12 1HB ALA 2 1HB ALA 2 6.847 -1.311 9.772 13 2HB ALA 2 2HB ALA 2 7.922 -0.534 10.944 14 3HB ALA 2 3HB ALA 2 7.868 0.046 9.257 15 H ARG 3 H ARG 3 7.402 -3.698 8.609 16 HA ARG 3 HA ARG 3 8.432 -3.659 5.819 17 1HB ARG 3 1HB ARG 3 6.407 -5.247 7.408 18 2HB ARG 3 2HB ARG 3 6.413 -5.280 5.635 19 1HG ARG 3 1HG ARG 3 8.671 -6.119 5.583 20 2HG ARG 3 2HG ARG 3 8.925 -5.858 7.316 21 1HD ARG 3 1HD ARG 3 6.765 -7.492 7.436 22 2HD ARG 3 2HD ARG 3 7.409 -7.917 5.802 23 HE ARG 3 HE ARG 3 9.504 -7.963 7.687 24 1HH1 ARG 3 2HH2 ARG 3 6.777 -9.834 6.510 25 2HH1 ARG 3 1HH2 ARG 3 7.634 -11.353 6.484 26 1HH2 ARG 3 2HH1 ARG 3 10.534 -9.942 8.008 27 2HH2 ARG 3 1HH1 ARG 3 9.857 -11.415 7.365 28 H VAL 4 H VAL 4 7.736 -2.269 4.397 29 HA VAL 4 HA VAL 4 5.039 -1.065 4.705 30 HB VAL 4 HB VAL 4 7.448 0.172 4.272 31 1HG1 VAL 4 1HG1 VAL 4 7.780 0.803 2.000 32 2HG1 VAL 4 2HG1 VAL 4 7.755 -0.973 2.150 33 3HG1 VAL 4 3HG1 VAL 4 6.350 -0.117 1.501 34 1HG2 VAL 4 1HG2 VAL 4 4.980 1.262 2.931 35 2HG2 VAL 4 2HG2 VAL 4 5.225 1.238 4.681 36 3HG2 VAL 4 3HG2 VAL 4 6.368 2.134 3.667 37 H ALA 5 H ALA 5 3.457 -1.407 3.165 38 HA ALA 5 HA ALA 5 4.204 -3.303 0.955 39 1HB ALA 5 1HB ALA 5 1.830 -3.578 0.551 40 2HB ALA 5 2HB ALA 5 2.313 -4.136 2.148 41 3HB ALA 5 3HB ALA 5 1.461 -2.571 1.967 42 H ILE 6 H ILE 6 3.756 -2.459 -1.208 43 HA ILE 6 HA ILE 6 2.910 0.369 -1.395 44 HB ILE 6 HB ILE 6 5.091 -0.862 -3.056 45 1HG1 ILE 6 1HG1 ILE 6 6.340 1.174 -1.859 46 2HG1 ILE 6 2HG1 ILE 6 5.256 0.752 -0.546 47 1HG2 ILE 6 1HG2 ILE 6 5.407 1.371 -3.953 48 2HG2 ILE 6 2HG2 ILE 6 3.779 0.792 -4.273 49 3HG2 ILE 6 3HG2 ILE 6 4.048 1.972 -2.972 50 1HD1 ILE 6 1HD1 ILE 6 7.092 -1.241 -1.980 51 2HD1 ILE 6 2HD1 ILE 6 7.507 -0.407 -0.489 52 3HD1 ILE 6 3HD1 ILE 6 6.164 -1.525 -0.483 53 HA PRO 7 HA PRO 7 0.041 -1.741 -4.225 54 1HB PRO 7 1HB PRO 7 -1.387 0.542 -4.865 55 2HB PRO 7 2HB PRO 7 -1.553 -0.375 -3.317 56 1HG PRO 7 1HG PRO 7 -0.141 2.208 -3.932 57 2HG PRO 7 2HG PRO 7 -1.001 1.742 -2.426 58 1HD PRO 7 1HD PRO 7 1.667 1.654 -2.841 59 2HD PRO 7 2HD PRO 7 0.788 0.717 -1.574 60 H SER 8 H SER 8 1.037 -2.388 -6.056 61 HA SER 8 HA SER 8 2.243 -0.398 -7.928 62 1HB SER 8 1HB SER 8 3.735 -2.099 -6.974 63 2HB SER 8 2HB SER 8 2.608 -3.381 -7.430 64 HG SER 8 HG SER 8 4.294 -3.242 -8.909 65 H VAL 9 H VAL 9 2.030 -1.149 -10.194 66 HA VAL 9 HA VAL 9 -0.220 -2.946 -10.865 67 HB VAL 9 HB VAL 9 -0.711 -1.482 -12.858 68 1HG1 VAL 9 1HG1 VAL 9 -1.246 -0.060 -10.258 69 2HG1 VAL 9 2HG1 VAL 9 -2.234 -0.056 -11.705 70 3HG1 VAL 9 3HG1 VAL 9 -2.112 -1.545 -10.746 71 1HG2 VAL 9 1HG2 VAL 9 -0.129 0.861 -12.886 72 2HG2 VAL 9 2HG2 VAL 9 0.602 0.781 -11.293 73 3HG2 VAL 9 3HG2 VAL 9 1.392 -0.013 -12.664 74 H GLY 10 H GLY 10 2.307 -3.917 -10.533 75 1HA GLY 10 1HA GLY 10 2.724 -5.246 -12.900 76 2HA GLY 10 2HA GLY 10 3.911 -3.934 -12.897 77 H LYS 11 H LYS 11 5.323 -5.878 -12.882 78 HA LYS 11 HA LYS 11 6.007 -6.703 -10.092 79 1HB LYS 11 1HB LYS 11 6.118 -8.482 -12.527 80 2HB LYS 11 2HB LYS 11 6.612 -8.867 -10.855 81 1HG LYS 11 1HG LYS 11 4.239 -8.525 -10.216 82 2HG LYS 11 2HG LYS 11 3.878 -8.615 -11.949 83 1HD LYS 11 1HD LYS 11 5.642 -10.736 -10.592 84 2HD LYS 11 2HD LYS 11 3.935 -10.817 -10.383 85 1HE LYS 11 1HE LYS 11 4.818 -12.269 -12.181 86 2HE LYS 11 2HE LYS 11 3.527 -11.193 -12.726 87 1HZ LYS 11 1HZ LYS 11 6.382 -10.538 -13.110 88 2HZ LYS 11 2HZ LYS 11 5.543 -11.411 -14.201 89 3HZ LYS 11 3HZ LYS 11 5.052 -9.886 -13.863 90 H ASP 12 H ASP 12 7.221 -4.490 -11.127 91 HA ASP 12 HA ASP 12 10.024 -5.420 -11.083 92 1HB ASP 12 1HB ASP 12 8.852 -4.172 -13.340 93 2HB ASP 12 2HB ASP 12 9.614 -2.856 -12.503 94 H LEU 13 H LEU 13 11.371 -3.541 -10.245 95 HA LEU 13 HA LEU 13 9.846 -2.213 -8.054 96 1HB LEU 13 1HB LEU 13 12.215 -3.327 -8.008 97 2HB LEU 13 2HB LEU 13 12.743 -1.748 -8.585 98 HG LEU 13 HG LEU 13 13.097 -2.050 -6.233 99 1HD1 LEU 13 1HD1 LEU 13 10.844 -0.081 -6.364 100 2HD1 LEU 13 2HD1 LEU 13 12.364 0.019 -5.456 101 3HD1 LEU 13 3HD1 LEU 13 12.361 0.182 -7.230 102 1HD2 LEU 13 1HD2 LEU 13 11.331 -3.672 -5.680 103 2HD2 LEU 13 2HD2 LEU 13 11.298 -2.284 -4.579 104 3HD2 LEU 13 3HD2 LEU 13 10.102 -2.406 -5.871 105 H SER 14 H SER 14 10.537 -1.518 -11.265 106 HA SER 14 HA SER 14 9.843 1.341 -10.769 107 1HB SER 14 1HB SER 14 12.073 0.694 -11.935 108 2HB SER 14 2HB SER 14 10.975 0.159 -13.228 109 HG SER 14 HG SER 14 11.390 2.756 -12.116 110 H SER 15 H SER 15 7.930 -0.941 -10.655 111 HA SER 15 HA SER 15 6.436 -0.532 -13.152 112 1HB SER 15 1HB SER 15 5.310 -1.386 -10.447 113 2HB SER 15 2HB SER 15 4.568 -1.664 -12.021 114 HG SER 15 HG SER 15 5.937 -3.265 -10.643 115 H MET 16 H MET 16 4.148 0.647 -12.834 116 HA MET 16 HA MET 16 4.594 3.181 -11.443 117 1HB MET 16 1HB MET 16 2.593 1.916 -13.300 118 2HB MET 16 2HB MET 16 1.906 3.059 -12.187 119 1HG MET 16 1HG MET 16 4.339 4.212 -13.248 120 2HG MET 16 2HG MET 16 3.442 3.522 -14.585 121 1HE MET 16 1HE MET 16 3.114 5.736 -11.369 122 2HE MET 16 2HE MET 16 1.652 6.695 -11.687 123 3HE MET 16 3HE MET 16 1.504 4.965 -11.370 124 H VAL 17 H VAL 17 3.675 3.891 -9.521 125 HA VAL 17 HA VAL 17 2.317 1.901 -7.830 126 HB VAL 17 HB VAL 17 3.371 4.687 -7.296 127 1HG1 VAL 17 1HG1 VAL 17 1.427 4.419 -5.764 128 2HG1 VAL 17 2HG1 VAL 17 2.114 2.878 -5.194 129 3HG1 VAL 17 3HG1 VAL 17 3.002 4.399 -4.944 130 1HG2 VAL 17 1HG2 VAL 17 4.980 3.537 -5.973 131 2HG2 VAL 17 2HG2 VAL 17 4.116 1.980 -6.166 132 3HG2 VAL 17 3HG2 VAL 17 4.884 2.739 -7.547 133 H SER 18 H SER 18 0.285 1.991 -7.166 134 HA SER 18 HA SER 18 -1.646 3.126 -9.101 135 1HB SER 18 1HB SER 18 -1.350 0.634 -8.368 136 2HB SER 18 2HB SER 18 -2.024 1.105 -6.851 137 HG SER 18 HG SER 18 -3.872 0.654 -7.867 138 H ASP 19 H ASP 19 -3.216 4.671 -8.507 139 HA ASP 19 HA ASP 19 -2.571 6.147 -6.163 140 1HB ASP 19 1HB ASP 19 -5.070 6.454 -7.883 141 2HB ASP 19 2HB ASP 19 -4.397 7.667 -6.800 142 H ARG 20 H ARG 20 -3.618 3.461 -5.476 143 HA ARG 20 HA ARG 20 -6.058 3.884 -3.881 144 1HB ARG 20 1HB ARG 20 -6.838 1.869 -5.654 145 2HB ARG 20 2HB ARG 20 -7.472 3.494 -5.608 146 1HG ARG 20 1HG ARG 20 -6.015 4.199 -7.397 147 2HG ARG 20 2HG ARG 20 -5.149 2.658 -7.387 148 1HD ARG 20 1HD ARG 20 -6.899 1.562 -8.464 149 2HD ARG 20 2HD ARG 20 -8.103 2.748 -7.923 150 HE ARG 20 HE ARG 20 -5.949 3.788 -9.643 151 1HH1 ARG 20 2HH2 ARG 20 -9.241 2.457 -9.744 152 2HH1 ARG 20 1HH2 ARG 20 -9.505 2.858 -11.392 153 1HH2 ARG 20 2HH1 ARG 20 -6.489 4.763 -11.618 154 2HH2 ARG 20 1HH1 ARG 20 -7.953 4.398 -12.436 155 H PHE 21 H PHE 21 -4.984 2.819 -2.129 156 HA PHE 21 HA PHE 21 -3.348 0.541 -2.434 157 1HB PHE 21 1HB PHE 21 -3.528 1.686 -0.256 158 2HB PHE 21 2HB PHE 21 -5.223 1.504 -0.231 159 HD1 PHE 21 HD1 PHE 21 -5.751 0.158 1.663 160 HD2 PHE 21 HD2 PHE 21 -2.497 -0.977 -0.940 161 HE1 PHE 21 HE1 PHE 21 -5.476 -1.949 2.905 162 HE2 PHE 21 HE2 PHE 21 -2.268 -3.094 0.253 163 HZ PHE 21 HZ PHE 21 -3.714 -3.563 2.268 164 H ALA 22 H ALA 22 -6.862 0.526 -1.682 165 HA ALA 22 HA ALA 22 -6.825 -2.310 -1.839 166 1HB ALA 22 1HB ALA 22 -8.386 -0.976 -0.398 167 2HB ALA 22 2HB ALA 22 -9.294 -0.513 -1.866 168 3HB ALA 22 3HB ALA 22 -9.181 -2.196 -1.371 169 H ARG 23 H ARG 23 -6.738 -0.144 -4.588 170 HA ARG 23 HA ARG 23 -7.505 -2.399 -6.257 171 1HB ARG 23 1HB ARG 23 -8.284 0.488 -6.430 172 2HB ARG 23 2HB ARG 23 -7.783 -0.408 -7.867 173 1HG ARG 23 1HG ARG 23 -9.556 -2.149 -7.304 174 2HG ARG 23 2HG ARG 23 -10.040 -1.101 -5.945 175 1HD ARG 23 1HD ARG 23 -11.408 -0.005 -7.352 176 2HD ARG 23 2HD ARG 23 -9.996 0.650 -8.176 177 HE ARG 23 HE ARG 23 -11.792 -1.507 -9.024 178 1HH1 ARG 23 2HH2 ARG 23 -8.417 -0.580 -9.565 179 2HH1 ARG 23 1HH2 ARG 23 -8.498 -0.837 -11.275 180 1HH2 ARG 23 2HH1 ARG 23 -11.936 -1.621 -11.312 181 2HH2 ARG 23 1HH1 ARG 23 -10.446 -1.819 -12.179 182 H ALA 24 H ALA 24 -5.147 -2.834 -5.519 183 HA ALA 24 HA ALA 24 -3.610 -1.644 -7.719 184 1HB ALA 24 1HB ALA 24 -2.952 -0.636 -5.505 185 2HB ALA 24 2HB ALA 24 -2.437 -2.235 -4.964 186 3HB ALA 24 3HB ALA 24 -1.618 -1.480 -6.334 187 H GLU 25 H GLU 25 -2.906 -3.298 -8.956 188 HA GLU 25 HA GLU 25 -3.970 -5.924 -8.538 189 1HB GLU 25 1HB GLU 25 -2.004 -4.623 -10.476 190 2HB GLU 25 2HB GLU 25 -2.604 -6.274 -10.704 191 1HG GLU 25 1HG GLU 25 -4.973 -5.137 -10.572 192 2HG GLU 25 2HG GLU 25 -4.088 -3.643 -10.835 193 H TYR 26 H TYR 26 -0.875 -4.553 -7.608 194 HA TYR 26 HA TYR 26 0.114 -7.177 -6.842 195 1HB TYR 26 1HB TYR 26 1.684 -5.057 -8.403 196 2HB TYR 26 2HB TYR 26 2.372 -6.480 -7.650 197 HD1 TYR 26 HD1 TYR 26 2.161 -8.681 -8.654 198 HD2 TYR 26 HD2 TYR 26 0.330 -5.241 -10.479 199 HE1 TYR 26 HE1 TYR 26 2.105 -9.848 -10.831 200 HE2 TYR 26 HE2 TYR 26 0.198 -6.439 -12.635 201 HH TYR 26 HH TYR 26 0.573 -9.694 -13.094 202 H PHE 27 H PHE 27 1.491 -6.985 -5.002 203 HA PHE 27 HA PHE 27 1.540 -4.317 -3.669 204 1HB PHE 27 1HB PHE 27 0.652 -6.930 -2.419 205 2HB PHE 27 2HB PHE 27 1.091 -5.492 -1.509 206 HD1 PHE 27 HD1 PHE 27 -0.096 -3.272 -2.678 207 HD2 PHE 27 HD2 PHE 27 -1.686 -7.259 -2.516 208 HE1 PHE 27 HE1 PHE 27 -2.409 -2.353 -2.754 209 HE2 PHE 27 HE2 PHE 27 -3.990 -6.332 -2.710 210 HZ PHE 27 HZ PHE 27 -4.347 -3.897 -2.839 211 H ILE 28 H ILE 28 3.558 -3.834 -3.423 212 HA ILE 28 HA ILE 28 5.708 -5.894 -3.441 213 HB ILE 28 HB ILE 28 5.617 -2.895 -3.899 214 1HG1 ILE 28 1HG1 ILE 28 5.944 -3.227 -6.153 215 2HG1 ILE 28 2HG1 ILE 28 6.731 -4.775 -5.963 216 1HG2 ILE 28 1HG2 ILE 28 8.001 -4.771 -4.077 217 2HG2 ILE 28 2HG2 ILE 28 8.036 -3.040 -4.380 218 3HG2 ILE 28 3HG2 ILE 28 7.740 -3.602 -2.752 219 1HD1 ILE 28 1HD1 ILE 28 4.567 -5.881 -5.642 220 2HD1 ILE 28 2HD1 ILE 28 3.740 -4.319 -5.823 221 3HD1 ILE 28 3HD1 ILE 28 4.637 -5.027 -7.177 222 H ILE 29 H ILE 29 6.469 -6.515 -1.477 223 HA ILE 29 HA ILE 29 5.945 -4.702 0.842 224 HB ILE 29 HB ILE 29 6.306 -7.716 0.791 225 1HG1 ILE 29 1HG1 ILE 29 3.828 -6.023 1.369 226 2HG1 ILE 29 2HG1 ILE 29 4.138 -6.864 -0.153 227 1HG2 ILE 29 1HG2 ILE 29 5.677 -7.521 3.246 228 2HG2 ILE 29 2HG2 ILE 29 7.235 -6.810 2.851 229 3HG2 ILE 29 3HG2 ILE 29 5.847 -5.751 3.073 230 1HD1 ILE 29 1HD1 ILE 29 3.606 -8.106 2.539 231 2HD1 ILE 29 2HD1 ILE 29 2.725 -8.292 1.011 232 3HD1 ILE 29 3HD1 ILE 29 4.327 -9.024 1.184 233 H TYR 30 H TYR 30 7.609 -3.528 1.224 234 HA TYR 30 HA TYR 30 10.384 -4.524 0.716 235 1HB TYR 30 1HB TYR 30 9.547 -2.218 -0.155 236 2HB TYR 30 2HB TYR 30 9.489 -1.722 1.539 237 HD1 TYR 30 HD1 TYR 30 11.484 -1.113 2.702 238 HD2 TYR 30 HD2 TYR 30 11.755 -2.971 -1.155 239 HE1 TYR 30 HE1 TYR 30 13.948 -0.639 2.646 240 HE2 TYR 30 HE2 TYR 30 14.206 -2.547 -1.205 241 HH TYR 30 HH TYR 30 16.012 -1.437 -0.117 242 H ASP 31 H ASP 31 11.112 -5.548 2.386 243 HA ASP 31 HA ASP 31 10.447 -5.093 5.215 244 1HB ASP 31 1HB ASP 31 11.503 -7.216 3.521 245 2HB ASP 31 2HB ASP 31 12.720 -6.791 4.705 246 H THR 32 H THR 32 11.404 -3.209 6.132 247 HA THR 32 HA THR 32 14.084 -2.411 5.127 248 HB THR 32 HB THR 32 13.853 -0.460 6.472 249 HG1 THR 32 HG1 THR 32 12.919 -1.535 8.133 250 1HG2 THR 32 1HG2 THR 32 11.147 -0.947 5.119 251 2HG2 THR 32 2HG2 THR 32 11.842 0.634 5.612 252 3HG2 THR 32 3HG2 THR 32 12.640 -0.308 4.372 253 H GLU 33 H GLU 33 14.416 -4.801 5.853 254 HA GLU 33 HA GLU 33 15.896 -4.655 8.427 255 1HB GLU 33 1HB GLU 33 13.830 -6.716 7.503 256 2HB GLU 33 2HB GLU 33 15.230 -7.315 8.360 257 1HG GLU 33 1HG GLU 33 13.577 -5.033 9.540 258 2HG GLU 33 2HG GLU 33 13.056 -6.710 9.698 259 H SER 34 H SER 34 15.527 -6.602 5.435 260 HA SER 34 HA SER 34 18.306 -5.733 5.232 261 1HB SER 34 1HB SER 34 17.164 -8.524 5.227 262 2HB SER 34 2HB SER 34 18.379 -8.229 3.926 263 HG SER 34 HG SER 34 19.889 -8.031 5.307 264 H GLY 35 H GLY 35 16.000 -4.477 4.172 265 1HA GLY 35 1HA GLY 35 15.146 -3.572 2.281 266 2HA GLY 35 2HA GLY 35 16.721 -3.883 1.529 267 H ASN 36 H ASN 36 14.674 -6.497 2.722 268 HA ASN 36 HA ASN 36 14.778 -7.878 0.163 269 1HB ASN 36 1HB ASN 36 14.942 -9.079 2.332 270 2HB ASN 36 2HB ASN 36 13.359 -8.425 2.787 271 1HD2 ASN 36 1HD2 ASN 36 14.065 -9.869 -0.499 272 2HD2 ASN 36 2HD2 ASN 36 12.958 -11.182 -0.191 273 H VAL 37 H VAL 37 12.949 -8.336 -1.132 274 HA VAL 37 HA VAL 37 10.524 -6.842 -0.568 275 HB VAL 37 HB VAL 37 11.335 -6.833 -3.423 276 1HG1 VAL 37 1HG1 VAL 37 10.139 -4.679 -3.309 277 2HG1 VAL 37 2HG1 VAL 37 9.143 -5.971 -2.606 278 3HG1 VAL 37 3HG1 VAL 37 9.993 -4.833 -1.542 279 1HG2 VAL 37 1HG2 VAL 37 12.447 -4.604 -3.110 280 2HG2 VAL 37 2HG2 VAL 37 12.598 -4.981 -1.378 281 3HG2 VAL 37 3HG2 VAL 37 13.415 -6.016 -2.561 282 H GLU 38 H GLU 38 8.647 -7.713 -1.478 283 HA GLU 38 HA GLU 38 8.711 -10.393 -2.768 284 1HB GLU 38 1HB GLU 38 8.271 -10.850 -0.436 285 2HB GLU 38 2HB GLU 38 7.262 -9.424 -0.271 286 1HG GLU 38 1HG GLU 38 5.793 -11.248 -0.194 287 2HG GLU 38 2HG GLU 38 5.528 -10.502 -1.756 288 H VAL 39 H VAL 39 7.161 -10.455 -4.457 289 HA VAL 39 HA VAL 39 5.359 -8.098 -4.740 290 HB VAL 39 HB VAL 39 6.481 -9.936 -6.889 291 1HG1 VAL 39 1HG1 VAL 39 4.482 -7.628 -7.029 292 2HG1 VAL 39 2HG1 VAL 39 5.377 -8.256 -8.422 293 3HG1 VAL 39 3HG1 VAL 39 4.245 -9.299 -7.542 294 1HG2 VAL 39 1HG2 VAL 39 7.001 -6.997 -6.278 295 2HG2 VAL 39 2HG2 VAL 39 8.161 -8.328 -6.143 296 3HG2 VAL 39 3HG2 VAL 39 7.570 -7.865 -7.730 297 H VAL 40 H VAL 40 3.555 -8.674 -3.729 298 HA VAL 40 HA VAL 40 2.292 -11.334 -4.063 299 HB VAL 40 HB VAL 40 1.813 -8.757 -2.550 300 1HG1 VAL 40 1HG1 VAL 40 -0.459 -9.408 -1.872 301 2HG1 VAL 40 2HG1 VAL 40 -0.355 -8.954 -3.580 302 3HG1 VAL 40 3HG1 VAL 40 -0.450 -10.673 -3.122 303 1HG2 VAL 40 1HG2 VAL 40 3.000 -10.649 -1.512 304 2HG2 VAL 40 2HG2 VAL 40 1.493 -10.236 -0.664 305 3HG2 VAL 40 3HG2 VAL 40 1.556 -11.661 -1.732 306 H GLU 41 H GLU 41 0.379 -11.579 -5.330 307 HA GLU 41 HA GLU 41 -0.339 -9.413 -7.233 308 1HB GLU 41 1HB GLU 41 0.738 -11.449 -8.249 309 2HB GLU 41 2HB GLU 41 -0.537 -12.447 -7.535 310 1HG GLU 41 1HG GLU 41 -2.228 -11.126 -8.853 311 2HG GLU 41 2HG GLU 41 -0.902 -10.226 -9.593 312 H ASN 42 H ASN 42 -2.555 -8.760 -6.926 313 HA ASN 42 HA ASN 42 -4.297 -10.497 -5.256 314 1HB ASN 42 1HB ASN 42 -2.895 -8.804 -3.836 315 2HB ASN 42 2HB ASN 42 -3.952 -7.592 -4.572 316 1HD2 ASN 42 1HD2 ASN 42 -3.827 -10.544 -2.496 317 2HD2 ASN 42 2HD2 ASN 42 -5.412 -10.308 -1.800 318 H THR 43 H THR 43 -6.354 -10.429 -5.847 319 HA THR 43 HA THR 43 -6.655 -8.999 -8.396 320 HB THR 43 HB THR 43 -7.963 -11.140 -8.906 321 HG1 THR 43 HG1 THR 43 -8.300 -11.761 -6.697 322 1HG2 THR 43 1HG2 THR 43 -5.585 -10.855 -9.600 323 2HG2 THR 43 2HG2 THR 43 -5.045 -11.480 -8.035 324 3HG2 THR 43 3HG2 THR 43 -5.937 -12.524 -9.158 325 H ILE 44 H ILE 44 -7.446 -7.365 -6.660 326 HA ILE 44 HA ILE 44 -10.143 -7.528 -5.675 327 HB ILE 44 HB ILE 44 -9.537 -4.964 -5.288 328 1HG1 ILE 44 1HG1 ILE 44 -7.400 -5.428 -6.879 329 2HG1 ILE 44 2HG1 ILE 44 -7.430 -4.258 -5.641 330 1HG2 ILE 44 1HG2 ILE 44 -8.336 -7.308 -3.795 331 2HG2 ILE 44 2HG2 ILE 44 -8.417 -5.632 -3.197 332 3HG2 ILE 44 3HG2 ILE 44 -9.905 -6.515 -3.530 333 1HD1 ILE 44 1HD1 ILE 44 -6.398 -7.022 -5.117 334 2HD1 ILE 44 2HD1 ILE 44 -5.392 -5.684 -5.654 335 3HD1 ILE 44 3HD1 ILE 44 -6.201 -5.589 -4.079 336 H ALA 45 H ALA 45 -10.279 -7.997 -8.411 337 HA ALA 45 HA ALA 45 -11.200 -5.608 -9.829 338 1HB ALA 45 1HB ALA 45 -9.933 -7.434 -10.915 339 2HB ALA 45 2HB ALA 45 -11.206 -8.593 -10.500 340 3HB ALA 45 3HB ALA 45 -11.532 -7.291 -11.650 341 H ASP 46 H ASP 46 -12.773 -6.038 -7.390 342 HA ASP 46 HA ASP 46 -15.452 -5.927 -8.417 343 1HB ASP 46 1HB ASP 46 -15.614 -8.269 -8.354 344 2HB ASP 46 2HB ASP 46 -14.504 -8.424 -7.000 345 H ALA 47 H ALA 47 -16.929 -5.284 -6.573 346 HA ALA 47 HA ALA 47 -15.594 -3.457 -4.776 347 1HB ALA 47 1HB ALA 47 -18.541 -3.966 -5.233 348 2HB ALA 47 2HB ALA 47 -17.816 -2.529 -4.475 349 3HB ALA 47 3HB ALA 47 -17.534 -2.870 -6.190 350 H HIS 48 H HIS 48 -17.945 -3.624 -2.847 351 HA HIS 48 HA HIS 48 -16.214 -4.736 -0.847 352 1HB HIS 48 1HB HIS 48 -17.501 -2.576 -0.691 353 2HB HIS 48 2HB HIS 48 -18.977 -3.534 -0.526 354 HD1 HIS 48 HD1 HIS 48 -15.532 -3.487 1.233 355 HD2 HIS 48 HD2 HIS 48 -19.663 -3.846 1.982 356 HE1 HIS 48 HE1 HIS 48 -15.790 -3.892 3.768 357 H GLY 49 H GLY 49 -16.305 -6.669 0.235 358 1HA GLY 49 1HA GLY 49 -18.544 -7.910 1.227 359 2HA GLY 49 2HA GLY 49 -18.177 -8.711 -0.324 360 H THR 50 H THR 50 -17.890 -10.416 1.567 361 HA THR 50 HA THR 50 -16.650 -11.725 2.806 362 HB THR 50 HB THR 50 -15.943 -12.063 0.442 363 HG1 THR 50 HG1 THR 50 -14.989 -13.715 1.069 364 1HG2 THR 50 1HG2 THR 50 -14.325 -10.223 0.077 365 2HG2 THR 50 2HG2 THR 50 -13.224 -10.957 1.257 366 3HG2 THR 50 3HG2 THR 50 -13.647 -11.814 -0.229 367 H GLY 51 H GLY 51 -13.638 -11.474 3.226 368 1HA GLY 51 1HA GLY 51 -13.631 -9.386 5.344 369 2HA GLY 51 2HA GLY 51 -12.453 -10.692 5.115 370 HA PRO 52 HA PRO 52 -10.812 -6.727 3.105 371 1HB PRO 52 1HB PRO 52 -8.318 -6.948 3.842 372 2HB PRO 52 2HB PRO 52 -9.584 -6.220 4.871 373 1HG PRO 52 1HG PRO 52 -8.453 -9.035 5.006 374 2HG PRO 52 2HG PRO 52 -8.714 -7.924 6.368 375 1HD PRO 52 1HD PRO 52 -10.569 -9.811 5.798 376 2HD PRO 52 2HD PRO 52 -11.089 -8.168 6.264 377 H LYS 53 H LYS 53 -9.796 -10.164 3.003 378 HA LYS 53 HA LYS 53 -8.465 -11.356 1.810 379 1HB LYS 53 1HB LYS 53 -8.945 -11.747 -0.264 380 2HB LYS 53 2HB LYS 53 -10.318 -10.718 0.127 381 1HG LYS 53 1HG LYS 53 -8.906 -8.820 -0.954 382 2HG LYS 53 2HG LYS 53 -7.855 -10.118 -1.545 383 1HD LYS 53 1HD LYS 53 -9.297 -9.826 -3.337 384 2HD LYS 53 2HD LYS 53 -10.087 -11.157 -2.471 385 1HE LYS 53 1HE LYS 53 -11.461 -9.305 -1.253 386 2HE LYS 53 2HE LYS 53 -10.771 -8.178 -2.419 387 1HZ LYS 53 1HZ LYS 53 -11.737 -9.823 -4.156 388 2HZ LYS 53 2HZ LYS 53 -12.627 -10.401 -2.930 389 3HZ LYS 53 3HZ LYS 53 -12.778 -8.833 -3.369 390 H VAL 54 H VAL 54 -7.742 -8.153 0.408 391 HA VAL 54 HA VAL 54 -5.022 -8.607 -0.095 392 HB VAL 54 HB VAL 54 -5.720 -6.817 -1.255 393 1HG1 VAL 54 1HG1 VAL 54 -7.186 -4.954 -0.572 394 2HG1 VAL 54 2HG1 VAL 54 -7.959 -6.519 -0.593 395 3HG1 VAL 54 3HG1 VAL 54 -7.485 -5.784 0.962 396 1HG2 VAL 54 1HG2 VAL 54 -4.877 -5.221 1.168 397 2HG2 VAL 54 2HG2 VAL 54 -3.780 -6.021 0.021 398 3HG2 VAL 54 3HG2 VAL 54 -4.844 -4.716 -0.517 399 H VAL 55 H VAL 55 -6.469 -6.663 2.545 400 HA VAL 55 HA VAL 55 -4.106 -6.270 4.054 401 HB VAL 55 HB VAL 55 -6.897 -6.415 5.194 402 1HG1 VAL 55 1HG1 VAL 55 -4.628 -4.615 5.936 403 2HG1 VAL 55 2HG1 VAL 55 -6.289 -4.583 6.567 404 3HG1 VAL 55 3HG1 VAL 55 -5.289 -6.003 6.853 405 1HG2 VAL 55 1HG2 VAL 55 -7.107 -5.067 3.099 406 2HG2 VAL 55 2HG2 VAL 55 -7.183 -4.018 4.509 407 3HG2 VAL 55 3HG2 VAL 55 -5.675 -4.139 3.578 408 H GLN 56 H GLN 56 -6.533 -8.878 4.468 409 HA GLN 56 HA GLN 56 -5.446 -10.081 6.660 410 1HB GLN 56 1HB GLN 56 -6.935 -11.098 4.263 411 2HB GLN 56 2HB GLN 56 -6.106 -12.298 5.230 412 1HG GLN 56 1HG GLN 56 -7.555 -10.475 7.000 413 2HG GLN 56 2HG GLN 56 -8.613 -11.119 5.757 414 1HE2 GLN 56 1HE2 GLN 56 -6.100 -12.328 8.137 415 2HE2 GLN 56 2HE2 GLN 56 -6.922 -13.842 8.369 416 H SER 57 H SER 57 -4.312 -10.487 3.254 417 HA SER 57 HA SER 57 -2.258 -12.376 3.946 418 1HB SER 57 1HB SER 57 -3.320 -12.225 1.661 419 2HB SER 57 2HB SER 57 -2.616 -10.601 1.477 420 HG SER 57 HG SER 57 -1.505 -13.006 1.021 421 H LEU 58 H LEU 58 -2.162 -8.896 3.037 422 HA LEU 58 HA LEU 58 0.663 -8.682 3.209 423 1HB LEU 58 1HB LEU 58 -1.425 -6.546 3.776 424 2HB LEU 58 2HB LEU 58 0.272 -6.251 3.396 425 HG LEU 58 HG LEU 58 -1.776 -7.485 1.501 426 1HD1 LEU 58 1HD1 LEU 58 -0.521 -4.721 1.517 427 2HD1 LEU 58 2HD1 LEU 58 -1.599 -5.369 0.259 428 3HD1 LEU 58 3HD1 LEU 58 -2.207 -5.125 1.899 429 1HD2 LEU 58 1HD2 LEU 58 1.079 -6.662 0.920 430 2HD2 LEU 58 2HD2 LEU 58 0.465 -8.337 1.018 431 3HD2 LEU 58 3HD2 LEU 58 -0.124 -7.269 -0.241 432 H VAL 59 H VAL 59 -1.816 -8.108 5.706 433 HA VAL 59 HA VAL 59 -0.154 -7.441 7.896 434 HB VAL 59 HB VAL 59 -2.910 -8.591 7.439 435 1HG1 VAL 59 1HG1 VAL 59 -3.465 -8.229 9.842 436 2HG1 VAL 59 2HG1 VAL 59 -2.359 -9.571 9.590 437 3HG1 VAL 59 3HG1 VAL 59 -1.729 -8.016 10.186 438 1HG2 VAL 59 1HG2 VAL 59 -2.538 -6.206 6.942 439 2HG2 VAL 59 2HG2 VAL 59 -3.592 -6.370 8.357 440 3HG2 VAL 59 3HG2 VAL 59 -1.880 -5.953 8.572 441 H SER 60 H SER 60 -0.989 -10.656 6.485 442 HA SER 60 HA SER 60 0.033 -12.202 8.660 443 1HB SER 60 1HB SER 60 -1.434 -12.940 6.662 444 2HB SER 60 2HB SER 60 0.069 -13.023 5.726 445 HG SER 60 HG SER 60 0.869 -14.469 7.241 446 H LYS 61 H LYS 61 1.617 -10.527 5.892 447 HA LYS 61 HA LYS 61 4.213 -11.824 6.592 448 1HB LYS 61 1HB LYS 61 3.584 -9.899 4.298 449 2HB LYS 61 2HB LYS 61 5.110 -10.692 4.615 450 1HG LYS 61 1HG LYS 61 4.446 -12.164 3.100 451 2HG LYS 61 2HG LYS 61 3.643 -12.925 4.463 452 1HD LYS 61 1HD LYS 61 1.615 -12.654 3.470 453 2HD LYS 61 2HD LYS 61 1.870 -10.915 3.359 454 1HE LYS 61 1HE LYS 61 1.495 -11.698 1.147 455 2HE LYS 61 2HE LYS 61 3.199 -11.220 1.278 456 1HZ LYS 61 1HZ LYS 61 3.043 -13.300 0.135 457 2HZ LYS 61 2HZ LYS 61 3.675 -13.652 1.617 458 3HZ LYS 61 3HZ LYS 61 2.101 -13.964 1.270 459 H GLY 62 H GLY 62 2.978 -10.181 8.528 460 1HA GLY 62 1HA GLY 62 3.390 -8.560 9.963 461 2HA GLY 62 2HA GLY 62 5.090 -8.761 9.507 462 H VAL 63 H VAL 63 2.661 -7.440 7.240 463 HA VAL 63 HA VAL 63 4.228 -5.035 6.915 464 HB VAL 63 HB VAL 63 1.517 -5.910 5.856 465 1HG1 VAL 63 1HG1 VAL 63 1.646 -3.448 5.820 466 2HG1 VAL 63 2HG1 VAL 63 3.208 -3.544 4.980 467 3HG1 VAL 63 3HG1 VAL 63 1.710 -4.142 4.211 468 1HG2 VAL 63 1HG2 VAL 63 4.265 -5.697 4.561 469 2HG2 VAL 63 2HG2 VAL 63 3.505 -7.223 5.033 470 3HG2 VAL 63 3HG2 VAL 63 2.781 -6.247 3.747 471 H GLU 64 H GLU 64 4.317 -3.785 8.816 472 HA GLU 64 HA GLU 64 1.682 -2.869 9.927 473 1HB GLU 64 1HB GLU 64 4.407 -2.107 10.998 474 2HB GLU 64 2HB GLU 64 2.858 -2.204 11.849 475 1HG GLU 64 1HG GLU 64 3.038 -4.748 11.521 476 2HG GLU 64 2HG GLU 64 4.676 -4.453 10.929 477 H TYR 65 H TYR 65 2.763 -1.953 7.233 478 HA TYR 65 HA TYR 65 2.744 0.941 7.600 479 1HB TYR 65 1HB TYR 65 5.213 -0.565 7.653 480 2HB TYR 65 2HB TYR 65 5.225 0.139 6.260 481 HD1 TYR 65 HD1 TYR 65 5.250 0.664 9.860 482 HD2 TYR 65 HD2 TYR 65 5.454 2.696 6.072 483 HE1 TYR 65 HE1 TYR 65 6.122 2.642 10.999 484 HE2 TYR 65 HE2 TYR 65 6.277 4.711 7.201 485 HH TYR 65 HH TYR 65 6.486 5.095 10.717 486 H LEU 66 H LEU 66 2.720 2.022 5.433 487 HA LEU 66 HA LEU 66 2.484 0.421 3.032 488 1HB LEU 66 1HB LEU 66 0.354 -0.179 3.950 489 2HB LEU 66 2HB LEU 66 0.082 1.439 4.550 490 HG LEU 66 HG LEU 66 -0.228 2.300 2.335 491 1HD1 LEU 66 1HD1 LEU 66 -0.767 0.619 0.455 492 2HD1 LEU 66 2HD1 LEU 66 0.926 0.869 0.779 493 3HD1 LEU 66 3HD1 LEU 66 0.134 -0.571 1.451 494 1HD2 LEU 66 1HD2 LEU 66 -2.131 1.364 3.702 495 2HD2 LEU 66 2HD2 LEU 66 -2.451 1.326 1.975 496 3HD2 LEU 66 3HD2 LEU 66 -1.975 -0.162 2.833 497 H ILE 67 H ILE 67 2.600 1.727 1.243 498 HA ILE 67 HA ILE 67 2.544 4.697 1.551 499 HB ILE 67 HB ILE 67 4.048 2.697 -0.238 500 1HG1 ILE 67 1HG1 ILE 67 5.197 5.170 1.148 501 2HG1 ILE 67 2HG1 ILE 67 4.716 3.856 2.185 502 1HG2 ILE 67 1HG2 ILE 67 3.911 3.953 -1.978 503 2HG2 ILE 67 2HG2 ILE 67 3.265 5.349 -1.149 504 3HG2 ILE 67 3HG2 ILE 67 5.020 5.060 -1.151 505 1HD1 ILE 67 1HD1 ILE 67 6.174 2.294 1.128 506 2HD1 ILE 67 2HD1 ILE 67 6.665 3.469 -0.086 507 3HD1 ILE 67 3HD1 ILE 67 7.081 3.732 1.636 508 H ALA 68 H ALA 68 0.371 5.379 0.919 509 HA ALA 68 HA ALA 68 -0.506 4.380 -1.622 510 1HB ALA 68 1HB ALA 68 -1.323 2.539 -0.329 511 2HB ALA 68 2HB ALA 68 -2.011 3.612 0.906 512 3HB ALA 68 3HB ALA 68 -2.695 3.595 -0.736 513 H SER 69 H SER 69 -0.971 6.298 -2.349 514 HA SER 69 HA SER 69 -1.626 8.776 -1.296 515 1HB SER 69 1HB SER 69 -2.746 9.283 -3.467 516 2HB SER 69 2HB SER 69 -1.256 8.466 -3.648 517 HG SER 69 HG SER 69 -2.277 6.484 -3.906 518 H ASN 70 H ASN 70 -3.955 6.096 -1.753 519 HA ASN 70 HA ASN 70 -5.869 7.320 -0.058 520 1HB ASN 70 1HB ASN 70 -6.914 6.602 -2.837 521 2HB ASN 70 2HB ASN 70 -7.741 7.497 -1.599 522 1HD2 ASN 70 1HD2 ASN 70 -5.391 9.571 -1.430 523 2HD2 ASN 70 2HD2 ASN 70 -5.518 10.446 -2.910 524 H VAL 71 H VAL 71 -7.932 5.619 -0.494 525 HA VAL 71 HA VAL 71 -6.805 2.940 -1.014 526 HB VAL 71 HB VAL 71 -7.170 3.516 1.381 527 1HG1 VAL 71 1HG1 VAL 71 -9.549 3.213 2.194 528 2HG1 VAL 71 2HG1 VAL 71 -9.193 4.769 1.438 529 3HG1 VAL 71 3HG1 VAL 71 -10.082 3.541 0.541 530 1HG2 VAL 71 1HG2 VAL 71 -7.142 1.224 0.346 531 2HG2 VAL 71 2HG2 VAL 71 -7.927 1.379 1.921 532 3HG2 VAL 71 3HG2 VAL 71 -8.907 1.246 0.432 533 H GLY 72 H GLY 72 -8.518 1.401 -1.756 534 1HA GLY 72 1HA GLY 72 -9.548 2.753 -4.127 535 2HA GLY 72 2HA GLY 72 -9.367 1.017 -3.905 536 H ARG 73 H ARG 73 -10.852 1.418 -1.222 537 HA ARG 73 HA ARG 73 -13.518 2.098 -1.531 538 1HB ARG 73 1HB ARG 73 -12.971 -0.869 -2.022 539 2HB ARG 73 2HB ARG 73 -14.468 -0.266 -1.305 540 1HG ARG 73 1HG ARG 73 -14.484 1.333 -3.413 541 2HG ARG 73 2HG ARG 73 -13.576 -0.012 -4.129 542 1HD ARG 73 1HD ARG 73 -15.397 -1.542 -3.640 543 2HD ARG 73 2HD ARG 73 -16.244 -0.338 -2.682 544 HE ARG 73 HE ARG 73 -16.004 -0.451 -5.626 545 1HH1 ARG 73 2HH2 ARG 73 -17.047 1.559 -2.853 546 2HH1 ARG 73 1HH2 ARG 73 -17.990 2.614 -3.823 547 1HH2 ARG 73 2HH1 ARG 73 -17.234 0.898 -6.871 548 2HH2 ARG 73 1HH1 ARG 73 -18.193 2.169 -6.209 549 H ASN 74 H ASN 74 -13.685 -0.626 0.329 550 HA ASN 74 HA ASN 74 -12.928 0.690 2.803 551 1HB ASN 74 1HB ASN 74 -13.850 -1.054 3.845 552 2HB ASN 74 2HB ASN 74 -14.689 -1.262 2.339 553 1HD2 ASN 74 1HD2 ASN 74 -13.633 -3.090 4.672 554 2HD2 ASN 74 2HD2 ASN 74 -12.926 -4.446 3.844 555 H ALA 75 H ALA 75 -11.552 -1.247 4.133 556 HA ALA 75 HA ALA 75 -9.657 -2.586 4.367 557 1HB ALA 75 1HB ALA 75 -7.647 -2.260 3.099 558 2HB ALA 75 2HB ALA 75 -8.982 -2.456 1.941 559 3HB ALA 75 3HB ALA 75 -8.303 -0.832 2.304 560 H PHE 76 H PHE 76 -9.966 0.957 4.129 561 HA PHE 76 HA PHE 76 -7.500 1.645 5.408 562 1HB PHE 76 1HB PHE 76 -8.608 3.266 4.227 563 2HB PHE 76 2HB PHE 76 -10.140 2.996 5.039 564 HD1 PHE 76 HD1 PHE 76 -10.678 4.344 7.019 565 HD2 PHE 76 HD2 PHE 76 -6.695 4.465 5.357 566 HE1 PHE 76 HE1 PHE 76 -10.192 6.425 8.300 567 HE2 PHE 76 HE2 PHE 76 -6.222 6.542 6.653 568 HZ PHE 76 HZ PHE 76 -7.979 7.506 8.127 569 H GLU 77 H GLU 77 -10.671 0.761 6.791 570 HA GLU 77 HA GLU 77 -9.995 1.369 9.512 571 1HB GLU 77 1HB GLU 77 -11.939 -0.645 8.347 572 2HB GLU 77 2HB GLU 77 -11.960 -0.037 9.999 573 1HG GLU 77 1HG GLU 77 -12.958 1.932 9.418 574 2HG GLU 77 2HG GLU 77 -12.135 2.086 7.895 575 H THR 78 H THR 78 -9.553 -1.436 7.305 576 HA THR 78 HA THR 78 -8.970 -3.295 9.431 577 HB THR 78 HB THR 78 -8.355 -3.729 6.491 578 HG1 THR 78 HG1 THR 78 -10.937 -3.720 7.655 579 1HG2 THR 78 1HG2 THR 78 -9.394 -5.970 7.080 580 2HG2 THR 78 2HG2 THR 78 -7.874 -5.626 7.934 581 3HG2 THR 78 3HG2 THR 78 -9.430 -5.444 8.754 582 H LEU 79 H LEU 79 -7.266 -0.993 7.521 583 HA LEU 79 HA LEU 79 -4.594 -2.073 7.781 584 1HB LEU 79 1HB LEU 79 -5.691 0.733 7.219 585 2HB LEU 79 2HB LEU 79 -3.978 0.407 7.343 586 HG LEU 79 HG LEU 79 -5.680 -1.200 5.411 587 1HD1 LEU 79 1HD1 LEU 79 -5.182 1.642 5.115 588 2HD1 LEU 79 2HD1 LEU 79 -4.350 0.729 3.846 589 3HD1 LEU 79 3HD1 LEU 79 -6.077 0.523 4.081 590 1HD2 LEU 79 1HD2 LEU 79 -3.489 -2.057 5.946 591 2HD2 LEU 79 2HD2 LEU 79 -3.519 -1.502 4.284 592 3HD2 LEU 79 3HD2 LEU 79 -2.739 -0.498 5.520 593 H LYS 80 H LYS 80 -6.019 0.804 9.354 594 HA LYS 80 HA LYS 80 -4.102 0.955 11.407 595 1HB LYS 80 1HB LYS 80 -5.851 2.393 12.465 596 2HB LYS 80 2HB LYS 80 -5.337 2.794 10.819 597 1HG LYS 80 1HG LYS 80 -7.553 1.374 10.211 598 2HG LYS 80 2HG LYS 80 -7.984 1.737 11.848 599 1HD LYS 80 1HD LYS 80 -8.901 3.244 10.049 600 2HD LYS 80 2HD LYS 80 -8.087 4.102 11.350 601 1HE LYS 80 1HE LYS 80 -6.573 3.324 8.824 602 2HE LYS 80 2HE LYS 80 -7.749 4.631 8.775 603 1HZ LYS 80 1HZ LYS 80 -5.744 5.662 9.247 604 2HZ LYS 80 2HZ LYS 80 -6.509 5.627 10.706 605 3HZ LYS 80 3HZ LYS 80 -5.265 4.578 10.356 606 H ALA 81 H ALA 81 -7.178 -0.832 11.351 607 HA ALA 81 HA ALA 81 -7.231 -1.667 14.039 608 1HB ALA 81 1HB ALA 81 -7.930 -3.287 11.555 609 2HB ALA 81 2HB ALA 81 -8.380 -3.675 13.224 610 3HB ALA 81 3HB ALA 81 -9.027 -2.219 12.474 611 H ALA 82 H ALA 82 -5.431 -3.256 11.275 612 HA ALA 82 HA ALA 82 -3.975 -4.973 13.191 613 1HB ALA 82 1HB ALA 82 -2.894 -5.745 11.037 614 2HB ALA 82 2HB ALA 82 -4.661 -5.848 11.002 615 3HB ALA 82 3HB ALA 82 -3.829 -4.519 10.171 616 H GLY 83 H GLY 83 -3.641 -2.107 13.568 617 1HA GLY 83 1HA GLY 83 -2.234 -0.393 13.546 618 2HA GLY 83 2HA GLY 83 -1.032 -1.573 14.124 619 H VAL 84 H VAL 84 -2.496 -1.307 10.841 620 HA VAL 84 HA VAL 84 0.173 -1.119 9.758 621 HB VAL 84 HB VAL 84 -2.424 -1.045 8.223 622 1HG1 VAL 84 1HG1 VAL 84 -1.067 -2.008 6.413 623 2HG1 VAL 84 2HG1 VAL 84 -0.402 -0.442 6.908 624 3HG1 VAL 84 3HG1 VAL 84 0.368 -1.959 7.435 625 1HG2 VAL 84 1HG2 VAL 84 -2.166 -3.507 8.019 626 2HG2 VAL 84 2HG2 VAL 84 -0.766 -3.436 9.131 627 3HG2 VAL 84 3HG2 VAL 84 -2.352 -3.023 9.714 628 H LYS 85 H LYS 85 1.257 0.661 9.526 629 HA LYS 85 HA LYS 85 -0.086 3.215 9.734 630 1HB LYS 85 1HB LYS 85 2.290 2.432 10.582 631 2HB LYS 85 2HB LYS 85 2.836 2.862 8.956 632 1HG LYS 85 1HG LYS 85 2.216 5.157 9.264 633 2HG LYS 85 2HG LYS 85 1.191 4.755 10.661 634 1HD LYS 85 1HD LYS 85 4.015 4.011 11.094 635 2HD LYS 85 2HD LYS 85 3.762 5.719 10.743 636 1HE LYS 85 1HE LYS 85 3.541 5.750 13.022 637 2HE LYS 85 2HE LYS 85 1.864 5.592 12.546 638 1HZ LYS 85 1HZ LYS 85 2.271 4.137 14.296 639 2HZ LYS 85 2HZ LYS 85 2.213 3.111 13.015 640 3HZ LYS 85 3HZ LYS 85 3.650 3.536 13.696 641 H VAL 86 H VAL 86 0.218 4.856 7.850 642 HA VAL 86 HA VAL 86 0.214 3.651 5.151 643 HB VAL 86 HB VAL 86 -2.415 4.837 6.093 644 1HG1 VAL 86 1HG1 VAL 86 -1.451 3.646 3.515 645 2HG1 VAL 86 2HG1 VAL 86 -3.181 3.781 3.909 646 3HG1 VAL 86 3HG1 VAL 86 -2.149 5.224 3.803 647 1HG2 VAL 86 1HG2 VAL 86 -2.270 2.764 7.277 648 2HG2 VAL 86 2HG2 VAL 86 -3.379 2.589 5.932 649 3HG2 VAL 86 3HG2 VAL 86 -1.740 1.900 5.834 650 H TYR 87 H TYR 87 1.412 5.141 4.176 651 HA TYR 87 HA TYR 87 1.046 8.039 4.633 652 1HB TYR 87 1HB TYR 87 3.060 6.259 3.155 653 2HB TYR 87 2HB TYR 87 2.864 7.952 2.731 654 HD1 TYR 87 HD1 TYR 87 4.139 9.527 3.729 655 HD2 TYR 87 HD2 TYR 87 3.570 5.807 5.818 656 HE1 TYR 87 HE1 TYR 87 5.647 10.328 5.488 657 HE2 TYR 87 HE2 TYR 87 5.047 6.645 7.646 658 HH TYR 87 HH TYR 87 6.097 8.609 8.525 659 H ARG 88 H ARG 88 1.200 9.266 2.587 660 HA ARG 88 HA ARG 88 -0.388 8.177 0.376 661 1HB ARG 88 1HB ARG 88 -1.786 9.708 1.132 662 2HB ARG 88 2HB ARG 88 -0.632 10.765 1.859 663 1HG ARG 88 1HG ARG 88 -0.177 11.961 -0.133 664 2HG ARG 88 2HG ARG 88 -0.817 10.704 -1.176 665 1HD ARG 88 1HD ARG 88 -3.061 11.075 -0.378 666 2HD ARG 88 2HD ARG 88 -2.511 12.334 0.751 667 HE ARG 88 HE ARG 88 -1.812 12.972 -1.999 668 1HH1 ARG 88 2HH2 ARG 88 -4.627 13.003 0.230 669 2HH1 ARG 88 1HH2 ARG 88 -5.552 13.993 -0.865 670 1HH2 ARG 88 2HH1 ARG 88 -3.052 14.247 -3.269 671 2HH2 ARG 88 1HH1 ARG 88 -4.674 14.773 -2.790 672 H PHE 89 H PHE 89 0.323 8.838 -1.656 673 HA PHE 89 HA PHE 89 3.015 9.909 -1.985 674 1HB PHE 89 1HB PHE 89 3.810 7.850 -2.499 675 2HB PHE 89 2HB PHE 89 2.268 7.115 -2.250 676 HD1 PHE 89 HD1 PHE 89 4.697 7.229 -4.900 677 HD2 PHE 89 HD2 PHE 89 0.436 7.529 -4.110 678 HE1 PHE 89 HE1 PHE 89 4.227 6.768 -7.127 679 HE2 PHE 89 HE2 PHE 89 -0.015 7.140 -6.516 680 HZ PHE 89 HZ PHE 89 1.892 6.763 -8.066 681 H GLU 90 H GLU 90 3.149 10.687 -4.412 682 HA GLU 90 HA GLU 90 0.438 11.110 -5.539 683 1HB GLU 90 1HB GLU 90 1.216 12.939 -3.775 684 2HB GLU 90 2HB GLU 90 2.222 13.518 -5.094 685 1HG GLU 90 1HG GLU 90 0.287 14.753 -5.412 686 2HG GLU 90 2HG GLU 90 -0.034 13.411 -6.503 687 H GLY 91 H GLY 91 2.059 9.425 -6.715 688 1HA GLY 91 1HA GLY 91 2.178 9.190 -9.064 689 2HA GLY 91 2HA GLY 91 2.650 10.878 -9.234 690 H GLY 92 H GLY 92 3.796 7.671 -9.248 691 1HA GLY 92 1HA GLY 92 6.574 8.166 -9.635 692 2HA GLY 92 2HA GLY 92 6.214 7.809 -7.941 693 H THR 93 H THR 93 7.779 6.089 -9.553 694 HA THR 93 HA THR 93 6.094 3.775 -10.034 695 HB THR 93 HB THR 93 8.266 2.781 -10.634 696 HG1 THR 93 HG1 THR 93 9.901 4.644 -11.012 697 1HG2 THR 93 1HG2 THR 93 8.480 3.872 -12.734 698 2HG2 THR 93 2HG2 THR 93 6.782 4.053 -12.244 699 3HG2 THR 93 3HG2 THR 93 7.895 5.422 -12.081 700 H VAL 94 H VAL 94 6.889 1.658 -8.933 701 HA VAL 94 HA VAL 94 6.608 1.737 -6.246 702 HB VAL 94 HB VAL 94 8.173 -0.287 -7.894 703 1HG1 VAL 94 1HG1 VAL 94 6.949 -0.650 -5.132 704 2HG1 VAL 94 2HG1 VAL 94 7.782 -1.862 -6.159 705 3HG1 VAL 94 3HG1 VAL 94 8.682 -0.510 -5.459 706 1HG2 VAL 94 1HG2 VAL 94 6.055 -1.522 -7.851 707 2HG2 VAL 94 2HG2 VAL 94 5.279 -0.228 -6.915 708 3HG2 VAL 94 3HG2 VAL 94 5.789 0.050 -8.583 709 H GLN 95 H GLN 95 9.843 2.058 -7.820 710 HA GLN 95 HA GLN 95 11.296 2.295 -5.489 711 1HB GLN 95 1HB GLN 95 11.994 2.339 -8.041 712 2HB GLN 95 2HB GLN 95 11.793 4.094 -7.880 713 1HG GLN 95 1HG GLN 95 13.954 4.149 -7.373 714 2HG GLN 95 2HG GLN 95 13.469 3.615 -5.771 715 1HE2 GLN 95 1HE2 GLN 95 14.975 2.088 -5.110 716 2HE2 GLN 95 2HE2 GLN 95 15.713 0.891 -6.141 717 H GLU 96 H GLU 96 9.446 4.881 -6.954 718 HA GLU 96 HA GLU 96 10.605 7.099 -5.506 719 1HB GLU 96 1HB GLU 96 8.072 6.578 -7.072 720 2HB GLU 96 2HB GLU 96 8.350 8.131 -6.286 721 1HG GLU 96 1HG GLU 96 10.098 6.963 -8.476 722 2HG GLU 96 2HG GLU 96 8.787 8.146 -8.660 723 H ALA 97 H ALA 97 7.610 5.056 -5.138 724 HA ALA 97 HA ALA 97 6.636 6.189 -2.797 725 1HB ALA 97 1HB ALA 97 5.373 4.441 -3.739 726 2HB ALA 97 2HB ALA 97 6.778 3.402 -3.989 727 3HB ALA 97 3HB ALA 97 6.145 3.578 -2.371 728 H ILE 98 H ILE 98 9.554 4.233 -3.097 729 HA ILE 98 HA ILE 98 9.722 3.832 -0.196 730 HB ILE 98 HB ILE 98 11.876 3.216 -2.303 731 1HG1 ILE 98 1HG1 ILE 98 10.123 2.499 -3.306 732 2HG1 ILE 98 2HG1 ILE 98 10.970 1.058 -2.729 733 1HG2 ILE 98 1HG2 ILE 98 11.126 1.784 0.307 734 2HG2 ILE 98 2HG2 ILE 98 12.443 1.319 -0.800 735 3HG2 ILE 98 3HG2 ILE 98 12.534 2.859 0.059 736 1HD1 ILE 98 1HD1 ILE 98 9.268 0.853 -0.892 737 2HD1 ILE 98 2HD1 ILE 98 8.324 2.174 -1.636 738 3HD1 ILE 98 3HD1 ILE 98 8.603 0.681 -2.544 739 H ASP 99 H ASP 99 11.687 5.192 -2.818 740 HA ASP 99 HA ASP 99 13.728 6.394 -1.431 741 1HB ASP 99 1HB ASP 99 12.385 6.779 -4.119 742 2HB ASP 99 2HB ASP 99 13.565 7.955 -3.595 743 H ALA 100 H ALA 100 10.463 7.583 -2.267 744 HA ALA 100 HA ALA 100 11.082 10.291 -1.317 745 1HB ALA 100 1HB ALA 100 8.732 10.757 -1.736 746 2HB ALA 100 2HB ALA 100 9.378 9.765 -3.061 747 3HB ALA 100 3HB ALA 100 8.366 9.017 -1.835 748 H PHE 101 H PHE 101 9.447 7.453 0.036 749 HA PHE 101 HA PHE 101 8.574 8.646 2.509 750 1HB PHE 101 1HB PHE 101 7.554 6.622 1.915 751 2HB PHE 101 2HB PHE 101 9.052 5.873 1.435 752 HD1 PHE 101 HD1 PHE 101 7.613 7.312 4.613 753 HD2 PHE 101 HD2 PHE 101 10.010 4.243 2.736 754 HE1 PHE 101 HE1 PHE 101 7.984 6.241 6.819 755 HE2 PHE 101 HE2 PHE 101 10.356 3.176 4.953 756 HZ PHE 101 HZ PHE 101 9.298 4.126 6.971 757 H SER 102 H SER 102 11.527 6.906 1.525 758 HA SER 102 HA SER 102 12.483 6.530 4.175 759 1HB SER 102 1HB SER 102 14.314 5.443 3.051 760 2HB SER 102 2HB SER 102 12.813 5.095 2.171 761 HG SER 102 HG SER 102 13.499 6.891 0.733 762 H GLU 103 H GLU 103 12.984 8.978 1.669 763 HA GLU 103 HA GLU 103 14.824 10.526 3.404 764 1HB GLU 103 1HB GLU 103 13.719 10.932 0.577 765 2HB GLU 103 2HB GLU 103 14.975 11.886 1.368 766 1HG GLU 103 1HG GLU 103 16.339 9.728 1.544 767 2HG GLU 103 2HG GLU 103 15.169 8.975 0.473 768 H GLY 104 H GLY 104 11.951 10.043 4.082 769 1HA GLY 104 1HA GLY 104 10.237 11.210 4.942 770 2HA GLY 104 2HA GLY 104 11.552 12.290 5.493 771 H ARG 105 H ARG 105 10.041 11.599 2.313 772 HA ARG 105 HA ARG 105 9.061 14.410 2.040 773 1HB ARG 105 1HB ARG 105 10.496 12.595 0.023 774 2HB ARG 105 2HB ARG 105 9.469 13.932 -0.483 775 1HG ARG 105 1HG ARG 105 10.815 15.525 0.721 776 2HG ARG 105 2HG ARG 105 11.992 14.264 1.135 777 1HD ARG 105 1HD ARG 105 12.833 14.171 -1.007 778 2HD ARG 105 2HD ARG 105 11.242 14.387 -1.754 779 HE ARG 105 HE ARG 105 12.148 16.770 -0.422 780 1HH1 ARG 105 2HH2 ARG 105 12.472 14.994 -3.532 781 2HH1 ARG 105 1HH2 ARG 105 12.849 16.426 -4.410 782 1HH2 ARG 105 2HH1 ARG 105 12.701 18.663 -1.723 783 2HH2 ARG 105 1HH1 ARG 105 12.881 18.429 -3.446 784 H LEU 106 H LEU 106 7.542 12.051 3.147 785 HA LEU 106 HA LEU 106 5.444 12.227 1.056 786 1HB LEU 106 1HB LEU 106 6.293 9.680 2.469 787 2HB LEU 106 2HB LEU 106 4.745 9.868 1.685 788 HG LEU 106 HG LEU 106 7.423 9.921 0.314 789 1HD1 LEU 106 1HD1 LEU 106 5.178 8.081 -0.449 790 2HD1 LEU 106 2HD1 LEU 106 6.913 7.802 -0.427 791 3HD1 LEU 106 3HD1 LEU 106 5.983 7.753 1.091 792 1HD2 LEU 106 1HD2 LEU 106 5.963 9.877 -1.820 793 2HD2 LEU 106 2HD2 LEU 106 4.632 10.454 -0.787 794 3HD2 LEU 106 3HD2 LEU 106 6.061 11.443 -1.033 795 H GLU 107 H GLU 107 3.312 11.557 1.923 796 HA GLU 107 HA GLU 107 2.808 13.340 4.208 797 1HB GLU 107 1HB GLU 107 1.051 12.018 2.130 798 2HB GLU 107 2HB GLU 107 0.487 13.262 3.177 799 1HG GLU 107 1HG GLU 107 2.769 13.781 1.218 800 2HG GLU 107 2HG GLU 107 1.084 13.835 0.722 801 H GLU 108 H GLU 108 1.758 12.504 6.075 802 HA GLU 108 HA GLU 108 1.491 9.524 6.196 803 1HB GLU 108 1HB GLU 108 2.814 10.917 7.976 804 2HB GLU 108 2HB GLU 108 1.196 11.237 8.645 805 1HG GLU 108 1HG GLU 108 0.791 8.745 8.601 806 2HG GLU 108 2HG GLU 108 2.423 8.500 8.010 807 H LEU 109 H LEU 109 -0.451 8.928 5.367 808 HA LEU 109 HA LEU 109 -2.696 10.789 5.414 809 1HB LEU 109 1HB LEU 109 -2.070 9.519 3.384 810 2HB LEU 109 2HB LEU 109 -2.520 8.030 4.218 811 HG LEU 109 HG LEU 109 -4.799 9.284 4.645 812 1HD1 LEU 109 1HD1 LEU 109 -4.085 11.506 3.740 813 2HD1 LEU 109 2HD1 LEU 109 -4.071 10.757 2.122 814 3HD1 LEU 109 3HD1 LEU 109 -5.586 10.830 3.094 815 1HD2 LEU 109 1HD2 LEU 109 -4.078 8.155 1.992 816 2HD2 LEU 109 2HD2 LEU 109 -4.677 7.316 3.447 817 3HD2 LEU 109 3HD2 LEU 109 -5.746 8.473 2.620 818 H THR 110 H THR 110 -2.819 10.733 7.886 819 HA THR 110 HA THR 110 -4.010 8.258 8.963 820 HB THR 110 HB THR 110 -3.745 9.614 11.105 821 HG1 THR 110 HG1 THR 110 -2.113 11.274 10.811 822 1HG2 THR 110 1HG2 THR 110 -1.237 9.232 9.400 823 2HG2 THR 110 2HG2 THR 110 -1.332 9.213 11.162 824 3HG2 THR 110 3HG2 THR 110 -2.101 7.925 10.246 825 H THR 111 H THR 111 -5.674 9.530 6.892 826 HA THR 111 HA THR 111 -8.084 9.839 8.248 827 HB THR 111 HB THR 111 -6.512 12.109 8.663 828 HG1 THR 111 HG1 THR 111 -8.103 12.166 9.857 829 1HG2 THR 111 1HG2 THR 111 -7.317 13.973 7.478 830 2HG2 THR 111 2HG2 THR 111 -6.696 12.839 6.275 831 3HG2 THR 111 3HG2 THR 111 -8.450 13.019 6.520 832 H PHE 112 H PHE 112 -9.707 10.795 6.709 833 HA PHE 112 HA PHE 112 -9.118 10.401 3.883 834 1HB PHE 112 1HB PHE 112 -10.584 8.631 5.642 835 2HB PHE 112 2HB PHE 112 -11.690 9.214 4.396 836 HD1 PHE 112 HD1 PHE 112 -8.518 7.708 5.189 837 HD2 PHE 112 HD2 PHE 112 -11.218 8.699 2.025 838 HE1 PHE 112 HE1 PHE 112 -6.943 6.669 3.628 839 HE2 PHE 112 HE2 PHE 112 -9.663 7.625 0.369 840 HZ PHE 112 HZ PHE 112 -7.482 6.655 1.189 841 H THR 113 H THR 113 -11.255 10.753 2.691 842 HA THR 113 HA THR 113 -12.842 12.988 3.799 843 HB THR 113 HB THR 113 -13.056 12.456 0.892 844 HG1 THR 113 HG1 THR 113 -10.911 12.379 0.874 845 1HG2 THR 113 1HG2 THR 113 -14.249 14.324 1.964 846 2HG2 THR 113 2HG2 THR 113 -12.691 15.054 2.426 847 3HG2 THR 113 3HG2 THR 113 -13.149 14.891 0.726 848 H ARG 114 H ARG 114 -15.074 12.773 2.889 849 HA ARG 114 HA ARG 114 -16.017 9.957 2.902 850 1HB ARG 114 1HB ARG 114 -16.126 11.067 5.123 851 2HB ARG 114 2HB ARG 114 -17.122 12.351 4.457 852 1HG ARG 114 1HG ARG 114 -18.572 10.788 5.592 853 2HG ARG 114 2HG ARG 114 -18.890 10.686 3.859 854 1HD ARG 114 1HD ARG 114 -17.667 8.653 3.648 855 2HD ARG 114 2HD ARG 114 -16.982 8.798 5.276 856 HE ARG 114 HE ARG 114 -19.456 8.678 6.010 857 1HH1 ARG 114 2HH2 ARG 114 -17.902 6.664 3.580 858 2HH1 ARG 114 1HH2 ARG 114 -19.218 5.576 3.325 859 1HH2 ARG 114 2HH1 ARG 114 -21.191 7.238 5.832 860 2HH2 ARG 114 1HH1 ARG 114 -21.232 6.000 4.609 861 H GLU 115 H GLU 115 -17.350 9.526 1.236 862 HA GLU 115 HA GLU 115 -18.546 11.770 -0.258 863 1HB GLU 115 1HB GLU 115 -17.100 9.992 -1.293 864 2HB GLU 115 2HB GLU 115 -18.399 8.830 -1.040 865 1HG GLU 115 1HG GLU 115 -19.881 10.056 -2.510 866 2HG GLU 115 2HG GLU 115 -18.818 11.483 -2.501 867 H GLY 116 H GLY 116 -20.141 12.329 1.251 868 1HA GLY 116 1HA GLY 116 -22.537 12.307 1.022 869 2HA GLY 116 2HA GLY 116 -22.527 10.552 1.113 Start of MODEL 11 1 1H MET 1 H1 MET 1 13.566 -2.718 11.274 2 HA MET 1 HA MET 1 12.477 -4.697 10.413 3 1HB MET 1 1HB MET 1 12.061 -5.842 12.458 4 2HB MET 1 2HB MET 1 13.357 -4.694 12.739 5 1HG MET 1 1HG MET 1 11.666 -3.128 13.782 6 2HG MET 1 2HG MET 1 10.445 -4.387 13.590 7 1HE MET 1 1HE MET 1 9.747 -4.453 16.112 8 2HE MET 1 2HE MET 1 10.925 -4.416 17.439 9 3HE MET 1 3HE MET 1 10.813 -3.042 16.315 10 H ALA 2 H ALA 2 10.559 -2.434 9.695 11 HA ALA 2 HA ALA 2 7.998 -3.813 10.169 12 1HB ALA 2 1HB ALA 2 7.135 -1.708 9.022 13 2HB ALA 2 2HB ALA 2 7.887 -1.376 10.600 14 3HB ALA 2 3HB ALA 2 8.770 -1.055 9.085 15 H ARG 3 H ARG 3 6.859 -4.498 8.273 16 HA ARG 3 HA ARG 3 8.361 -4.091 5.716 17 1HB ARG 3 1HB ARG 3 6.018 -5.875 6.450 18 2HB ARG 3 2HB ARG 3 6.234 -5.256 4.815 19 1HG ARG 3 1HG ARG 3 7.525 -7.084 4.531 20 2HG ARG 3 2HG ARG 3 8.719 -6.070 5.308 21 1HD ARG 3 1HD ARG 3 8.975 -7.488 6.944 22 2HD ARG 3 2HD ARG 3 7.262 -7.428 7.373 23 HE ARG 3 HE ARG 3 6.839 -9.098 5.619 24 1HH1 ARG 3 2HH2 ARG 3 10.146 -9.032 6.944 25 2HH1 ARG 3 1HH2 ARG 3 10.240 -10.749 7.161 26 1HH2 ARG 3 2HH1 ARG 3 7.440 -11.268 5.023 27 2HH2 ARG 3 1HH1 ARG 3 8.742 -12.040 5.854 28 H VAL 4 H VAL 4 7.708 -2.689 4.268 29 HA VAL 4 HA VAL 4 5.289 -1.022 4.818 30 HB VAL 4 HB VAL 4 7.774 -0.150 4.357 31 1HG1 VAL 4 1HG1 VAL 4 6.771 -0.389 1.522 32 2HG1 VAL 4 2HG1 VAL 4 8.383 0.118 2.083 33 3HG1 VAL 4 3HG1 VAL 4 7.865 -1.578 2.253 34 1HG2 VAL 4 1HG2 VAL 4 5.295 1.110 3.222 35 2HG2 VAL 4 2HG2 VAL 4 6.353 1.562 4.601 36 3HG2 VAL 4 3HG2 VAL 4 6.921 1.810 2.999 37 H ALA 5 H ALA 5 3.849 -0.781 2.777 38 HA ALA 5 HA ALA 5 4.389 -2.916 0.810 39 1HB ALA 5 1HB ALA 5 1.661 -2.306 2.032 40 2HB ALA 5 2HB ALA 5 1.921 -3.233 0.535 41 3HB ALA 5 3HB ALA 5 2.562 -3.847 2.059 42 H ILE 6 H ILE 6 3.785 -2.203 -1.310 43 HA ILE 6 HA ILE 6 2.870 0.606 -1.565 44 HB ILE 6 HB ILE 6 5.032 -0.639 -3.261 45 1HG1 ILE 6 1HG1 ILE 6 6.364 1.331 -2.107 46 2HG1 ILE 6 2HG1 ILE 6 5.263 1.029 -0.776 47 1HG2 ILE 6 1HG2 ILE 6 4.003 2.210 -3.088 48 2HG2 ILE 6 2HG2 ILE 6 5.314 1.614 -4.134 49 3HG2 ILE 6 3HG2 ILE 6 3.669 1.052 -4.401 50 1HD1 ILE 6 1HD1 ILE 6 7.009 -1.120 -2.076 51 2HD1 ILE 6 2HD1 ILE 6 7.445 -0.214 -0.620 52 3HD1 ILE 6 3HD1 ILE 6 6.068 -1.274 -0.573 53 HA PRO 7 HA PRO 7 0.017 -1.802 -4.158 54 1HB PRO 7 1HB PRO 7 -1.644 0.294 -4.809 55 2HB PRO 7 2HB PRO 7 -1.613 -0.454 -3.181 56 1HG PRO 7 1HG PRO 7 -0.401 2.137 -4.096 57 2HG PRO 7 2HG PRO 7 -1.138 1.782 -2.504 58 1HD PRO 7 1HD PRO 7 1.440 1.768 -3.057 59 2HD PRO 7 2HD PRO 7 0.704 0.902 -1.659 60 H SER 8 H SER 8 1.018 -2.419 -6.042 61 HA SER 8 HA SER 8 2.092 -0.370 -7.949 62 1HB SER 8 1HB SER 8 3.722 -1.931 -7.003 63 2HB SER 8 2HB SER 8 2.747 -3.311 -7.503 64 HG SER 8 HG SER 8 4.149 -3.112 -9.132 65 H VAL 9 H VAL 9 1.717 -1.070 -10.254 66 HA VAL 9 HA VAL 9 -0.454 -3.103 -10.637 67 HB VAL 9 HB VAL 9 -1.324 -1.855 -12.483 68 1HG1 VAL 9 1HG1 VAL 9 -1.076 0.118 -10.194 69 2HG1 VAL 9 2HG1 VAL 9 -2.389 0.003 -11.362 70 3HG1 VAL 9 3HG1 VAL 9 -2.167 -1.301 -10.173 71 1HG2 VAL 9 1HG2 VAL 9 -0.673 0.451 -13.066 72 2HG2 VAL 9 2HG2 VAL 9 0.638 0.403 -11.882 73 3HG2 VAL 9 3HG2 VAL 9 0.690 -0.636 -13.319 74 H GLY 10 H GLY 10 2.413 -3.493 -10.499 75 1HA GLY 10 1HA GLY 10 2.581 -5.267 -12.725 76 2HA GLY 10 2HA GLY 10 3.710 -3.917 -12.895 77 H LYS 11 H LYS 11 4.820 -6.369 -12.607 78 HA LYS 11 HA LYS 11 5.209 -7.067 -9.748 79 1HB LYS 11 1HB LYS 11 6.080 -9.223 -10.655 80 2HB LYS 11 2HB LYS 11 4.413 -8.887 -11.090 81 1HG LYS 11 1HG LYS 11 5.136 -8.117 -13.334 82 2HG LYS 11 2HG LYS 11 6.803 -8.420 -12.891 83 1HD LYS 11 1HD LYS 11 6.010 -10.185 -14.302 84 2HD LYS 11 2HD LYS 11 6.312 -10.850 -12.684 85 1HE LYS 11 1HE LYS 11 4.000 -11.023 -12.192 86 2HE LYS 11 2HE LYS 11 3.557 -9.838 -13.436 87 1HZ LYS 11 1HZ LYS 11 4.631 -12.508 -14.076 88 2HZ LYS 11 2HZ LYS 11 3.035 -12.142 -14.017 89 3HZ LYS 11 3HZ LYS 11 3.991 -11.385 -15.123 90 H ASP 12 H ASP 12 6.490 -4.703 -10.520 91 HA ASP 12 HA ASP 12 9.359 -5.445 -10.535 92 1HB ASP 12 1HB ASP 12 7.908 -3.849 -12.621 93 2HB ASP 12 2HB ASP 12 9.523 -3.397 -12.211 94 H LEU 13 H LEU 13 10.572 -3.973 -9.600 95 HA LEU 13 HA LEU 13 9.563 -2.054 -7.744 96 1HB LEU 13 1HB LEU 13 11.862 -3.450 -8.229 97 2HB LEU 13 2HB LEU 13 12.354 -1.881 -8.793 98 HG LEU 13 HG LEU 13 13.056 -2.400 -6.527 99 1HD1 LEU 13 1HD1 LEU 13 11.070 -0.113 -6.501 100 2HD1 LEU 13 2HD1 LEU 13 12.555 -0.276 -5.534 101 3HD1 LEU 13 3HD1 LEU 13 12.645 -0.076 -7.303 102 1HD2 LEU 13 1HD2 LEU 13 11.640 -2.641 -4.656 103 2HD2 LEU 13 2HD2 LEU 13 10.181 -2.276 -5.600 104 3HD2 LEU 13 3HD2 LEU 13 11.074 -3.786 -5.873 105 H SER 14 H SER 14 10.099 -1.814 -11.142 106 HA SER 14 HA SER 14 9.909 1.182 -10.978 107 1HB SER 14 1HB SER 14 12.059 -0.085 -11.884 108 2HB SER 14 2HB SER 14 10.978 -0.413 -13.257 109 HG SER 14 HG SER 14 12.495 1.685 -12.804 110 H SER 15 H SER 15 7.710 -0.834 -10.892 111 HA SER 15 HA SER 15 6.416 0.082 -13.413 112 1HB SER 15 1HB SER 15 5.680 -2.208 -11.560 113 2HB SER 15 2HB SER 15 4.541 -1.537 -12.758 114 HG SER 15 HG SER 15 5.965 -3.319 -13.519 115 H MET 16 H MET 16 4.012 0.922 -13.030 116 HA MET 16 HA MET 16 4.303 3.100 -11.359 117 1HB MET 16 1HB MET 16 2.136 1.873 -13.066 118 2HB MET 16 2HB MET 16 1.661 3.168 -11.973 119 1HG MET 16 1HG MET 16 3.950 3.330 -13.961 120 2HG MET 16 2HG MET 16 2.332 3.883 -14.248 121 1HE MET 16 1HE MET 16 1.284 5.716 -12.023 122 2HE MET 16 2HE MET 16 2.306 4.998 -10.765 123 3HE MET 16 3HE MET 16 2.454 6.712 -11.118 124 H VAL 17 H VAL 17 3.637 3.701 -9.467 125 HA VAL 17 HA VAL 17 2.331 1.883 -7.622 126 HB VAL 17 HB VAL 17 3.068 4.823 -7.396 127 1HG1 VAL 17 1HG1 VAL 17 1.409 4.279 -5.698 128 2HG1 VAL 17 2HG1 VAL 17 2.338 2.840 -5.218 129 3HG1 VAL 17 3HG1 VAL 17 3.038 4.461 -4.982 130 1HG2 VAL 17 1HG2 VAL 17 5.006 3.447 -7.732 131 2HG2 VAL 17 2HG2 VAL 17 4.980 4.004 -6.077 132 3HG2 VAL 17 3HG2 VAL 17 4.485 2.326 -6.454 133 H SER 18 H SER 18 0.247 1.850 -7.173 134 HA SER 18 HA SER 18 -1.683 2.902 -9.141 135 1HB SER 18 1HB SER 18 -1.579 0.479 -8.171 136 2HB SER 18 2HB SER 18 -2.090 1.173 -6.654 137 HG SER 18 HG SER 18 -4.002 0.747 -7.444 138 H ASP 19 H ASP 19 -3.427 4.324 -8.624 139 HA ASP 19 HA ASP 19 -2.655 6.189 -6.523 140 1HB ASP 19 1HB ASP 19 -5.071 6.159 -8.387 141 2HB ASP 19 2HB ASP 19 -4.551 7.541 -7.444 142 H ARG 20 H ARG 20 -3.559 3.621 -5.486 143 HA ARG 20 HA ARG 20 -5.930 3.906 -3.825 144 1HB ARG 20 1HB ARG 20 -6.899 1.951 -5.433 145 2HB ARG 20 2HB ARG 20 -7.503 3.585 -5.356 146 1HG ARG 20 1HG ARG 20 -6.367 4.212 -7.393 147 2HG ARG 20 2HG ARG 20 -5.481 2.684 -7.447 148 1HD ARG 20 1HD ARG 20 -7.202 1.621 -8.448 149 2HD ARG 20 2HD ARG 20 -8.385 2.290 -7.321 150 HE ARG 20 HE ARG 20 -8.663 4.209 -8.566 151 1HH1 ARG 20 2HH2 ARG 20 -6.900 1.692 -10.383 152 2HH1 ARG 20 1HH2 ARG 20 -7.628 2.065 -11.893 153 1HH2 ARG 20 2HH1 ARG 20 -9.227 5.021 -10.633 154 2HH2 ARG 20 1HH1 ARG 20 -8.990 4.033 -12.040 155 H PHE 21 H PHE 21 -5.100 2.713 -2.130 156 HA PHE 21 HA PHE 21 -3.393 0.508 -2.406 157 1HB PHE 21 1HB PHE 21 -3.672 1.677 -0.278 158 2HB PHE 21 2HB PHE 21 -5.392 1.422 -0.319 159 HD1 PHE 21 HD1 PHE 21 -6.267 -0.327 1.082 160 HD2 PHE 21 HD2 PHE 21 -2.276 -0.650 -0.557 161 HE1 PHE 21 HE1 PHE 21 -5.986 -2.506 2.170 162 HE2 PHE 21 HE2 PHE 21 -2.046 -2.856 0.436 163 HZ PHE 21 HZ PHE 21 -3.882 -3.775 1.915 164 H ALA 22 H ALA 22 -6.844 0.324 -1.488 165 HA ALA 22 HA ALA 22 -6.758 -2.518 -1.926 166 1HB ALA 22 1HB ALA 22 -9.180 -0.790 -1.285 167 2HB ALA 22 2HB ALA 22 -9.079 -2.551 -1.181 168 3HB ALA 22 3HB ALA 22 -8.072 -1.555 -0.127 169 H ARG 23 H ARG 23 -6.641 -0.436 -4.412 170 HA ARG 23 HA ARG 23 -7.636 -2.439 -6.183 171 1HB ARG 23 1HB ARG 23 -8.318 0.519 -6.134 172 2HB ARG 23 2HB ARG 23 -7.923 -0.339 -7.621 173 1HG ARG 23 1HG ARG 23 -9.829 -1.994 -6.681 174 2HG ARG 23 2HG ARG 23 -10.292 -0.606 -5.751 175 1HD ARG 23 1HD ARG 23 -9.861 -0.302 -8.755 176 2HD ARG 23 2HD ARG 23 -11.331 -1.082 -8.162 177 HE ARG 23 HE ARG 23 -11.496 1.015 -6.668 178 1HH1 ARG 23 2HH2 ARG 23 -10.658 1.070 -10.182 179 2HH1 ARG 23 1HH2 ARG 23 -11.532 2.552 -10.421 180 1HH2 ARG 23 2HH1 ARG 23 -12.799 2.769 -7.159 181 2HH2 ARG 23 1HH1 ARG 23 -12.890 3.426 -8.741 182 H ALA 24 H ALA 24 -5.294 -2.824 -5.466 183 HA ALA 24 HA ALA 24 -3.730 -1.530 -7.571 184 1HB ALA 24 1HB ALA 24 -1.748 -1.563 -6.272 185 2HB ALA 24 2HB ALA 24 -2.859 -1.522 -4.899 186 3HB ALA 24 3HB ALA 24 -2.208 -3.056 -5.439 187 H GLU 25 H GLU 25 -2.025 -3.471 -8.212 188 HA GLU 25 HA GLU 25 -3.676 -5.967 -8.360 189 1HB GLU 25 1HB GLU 25 -2.320 -4.410 -10.539 190 2HB GLU 25 2HB GLU 25 -2.356 -6.182 -10.636 191 1HG GLU 25 1HG GLU 25 -4.989 -5.654 -9.973 192 2HG GLU 25 2HG GLU 25 -4.582 -4.220 -10.893 193 H TYR 26 H TYR 26 -0.612 -4.558 -7.528 194 HA TYR 26 HA TYR 26 0.326 -7.167 -6.748 195 1HB TYR 26 1HB TYR 26 1.830 -5.046 -8.344 196 2HB TYR 26 2HB TYR 26 2.629 -6.388 -7.507 197 HD1 TYR 26 HD1 TYR 26 2.469 -8.692 -8.435 198 HD2 TYR 26 HD2 TYR 26 0.505 -5.367 -10.341 199 HE1 TYR 26 HE1 TYR 26 2.326 -9.986 -10.544 200 HE2 TYR 26 HE2 TYR 26 0.378 -6.621 -12.454 201 HH TYR 26 HH TYR 26 1.737 -8.484 -13.512 202 H PHE 27 H PHE 27 1.814 -6.836 -4.937 203 HA PHE 27 HA PHE 27 1.763 -4.139 -3.721 204 1HB PHE 27 1HB PHE 27 0.870 -6.668 -2.343 205 2HB PHE 27 2HB PHE 27 1.338 -5.195 -1.494 206 HD1 PHE 27 HD1 PHE 27 -1.244 -6.875 -3.490 207 HD2 PHE 27 HD2 PHE 27 -0.025 -3.094 -1.810 208 HE1 PHE 27 HE1 PHE 27 -3.538 -5.956 -3.827 209 HE2 PHE 27 HE2 PHE 27 -2.334 -2.220 -2.189 210 HZ PHE 27 HZ PHE 27 -4.064 -3.663 -3.196 211 H ILE 28 H ILE 28 3.791 -3.655 -3.683 212 HA ILE 28 HA ILE 28 5.915 -5.742 -3.526 213 HB ILE 28 HB ILE 28 6.179 -2.743 -3.959 214 1HG1 ILE 28 1HG1 ILE 28 4.766 -3.389 -5.753 215 2HG1 ILE 28 2HG1 ILE 28 6.384 -3.279 -6.411 216 1HG2 ILE 28 1HG2 ILE 28 8.226 -3.753 -3.320 217 2HG2 ILE 28 2HG2 ILE 28 7.995 -5.147 -4.409 218 3HG2 ILE 28 3HG2 ILE 28 8.339 -3.550 -5.068 219 1HD1 ILE 28 1HD1 ILE 28 6.613 -5.703 -6.378 220 2HD1 ILE 28 2HD1 ILE 28 4.964 -5.881 -5.717 221 3HD1 ILE 28 3HD1 ILE 28 5.215 -5.195 -7.333 222 H ILE 29 H ILE 29 6.797 -6.187 -1.680 223 HA ILE 29 HA ILE 29 6.124 -4.533 0.699 224 HB ILE 29 HB ILE 29 6.170 -7.506 0.181 225 1HG1 ILE 29 1HG1 ILE 29 3.932 -5.662 1.113 226 2HG1 ILE 29 2HG1 ILE 29 4.168 -6.223 -0.544 227 1HG2 ILE 29 1HG2 ILE 29 7.133 -7.240 2.378 228 2HG2 ILE 29 2HG2 ILE 29 5.878 -6.061 2.827 229 3HG2 ILE 29 3HG2 ILE 29 5.480 -7.778 2.602 230 1HD1 ILE 29 1HD1 ILE 29 2.734 -7.806 0.069 231 2HD1 ILE 29 2HD1 ILE 29 4.182 -8.629 0.627 232 3HD1 ILE 29 3HD1 ILE 29 3.177 -7.737 1.799 233 H TYR 30 H TYR 30 7.908 -3.442 1.133 234 HA TYR 30 HA TYR 30 10.601 -4.652 0.786 235 1HB TYR 30 1HB TYR 30 9.950 -2.350 -0.134 236 2HB TYR 30 2HB TYR 30 9.807 -1.804 1.521 237 HD1 TYR 30 HD1 TYR 30 12.133 -3.139 -1.011 238 HD2 TYR 30 HD2 TYR 30 11.788 -1.222 2.821 239 HE1 TYR 30 HE1 TYR 30 14.621 -2.922 -0.899 240 HE2 TYR 30 HE2 TYR 30 14.235 -0.921 2.914 241 HH TYR 30 HH TYR 30 16.310 -1.134 1.650 242 H ASP 31 H ASP 31 11.591 -5.450 2.461 243 HA ASP 31 HA ASP 31 10.675 -5.222 5.237 244 1HB ASP 31 1HB ASP 31 12.643 -6.854 3.687 245 2HB ASP 31 2HB ASP 31 13.156 -6.469 5.325 246 H THR 32 H THR 32 11.332 -3.720 6.762 247 HA THR 32 HA THR 32 13.768 -2.171 6.110 248 HB THR 32 HB THR 32 13.127 -0.487 7.472 249 HG1 THR 32 HG1 THR 32 11.461 -0.451 8.840 250 1HG2 THR 32 1HG2 THR 32 11.793 -0.735 5.351 251 2HG2 THR 32 2HG2 THR 32 10.465 -1.399 6.307 252 3HG2 THR 32 3HG2 THR 32 11.017 0.254 6.600 253 H GLU 33 H GLU 33 13.992 -4.858 6.721 254 HA GLU 33 HA GLU 33 16.172 -4.490 8.655 255 1HB GLU 33 1HB GLU 33 14.375 -6.948 8.627 256 2HB GLU 33 2HB GLU 33 16.119 -7.099 8.842 257 1HG GLU 33 1HG GLU 33 15.940 -5.369 10.720 258 2HG GLU 33 2HG GLU 33 14.200 -5.655 10.660 259 H SER 34 H SER 34 15.376 -7.270 6.582 260 HA SER 34 HA SER 34 18.080 -6.687 5.733 261 1HB SER 34 1HB SER 34 16.810 -8.910 6.515 262 2HB SER 34 2HB SER 34 16.558 -9.129 4.784 263 HG SER 34 HG SER 34 18.447 -10.095 5.700 264 H GLY 35 H GLY 35 15.971 -4.998 4.512 265 1HA GLY 35 1HA GLY 35 15.359 -4.039 2.586 266 2HA GLY 35 2HA GLY 35 16.973 -4.461 2.038 267 H ASN 36 H ASN 36 14.837 -7.128 2.728 268 HA ASN 36 HA ASN 36 14.897 -8.022 -0.037 269 1HB ASN 36 1HB ASN 36 13.515 -9.041 2.488 270 2HB ASN 36 2HB ASN 36 13.160 -9.727 0.913 271 1HD2 ASN 36 1HD2 ASN 36 14.298 -11.281 3.058 272 2HD2 ASN 36 2HD2 ASN 36 15.841 -11.817 2.441 273 H VAL 37 H VAL 37 13.130 -8.310 -1.366 274 HA VAL 37 HA VAL 37 10.721 -6.845 -0.611 275 HB VAL 37 HB VAL 37 11.350 -6.812 -3.508 276 1HG1 VAL 37 1HG1 VAL 37 9.303 -5.858 -2.523 277 2HG1 VAL 37 2HG1 VAL 37 10.289 -4.843 -1.431 278 3HG1 VAL 37 3HG1 VAL 37 10.322 -4.553 -3.188 279 1HG2 VAL 37 1HG2 VAL 37 12.959 -5.072 -1.611 280 2HG2 VAL 37 2HG2 VAL 37 13.561 -6.145 -2.881 281 3HG2 VAL 37 3HG2 VAL 37 12.658 -4.682 -3.326 282 H GLU 38 H GLU 38 8.849 -7.651 -1.225 283 HA GLU 38 HA GLU 38 8.757 -10.355 -2.437 284 1HB GLU 38 1HB GLU 38 8.405 -10.601 -0.095 285 2HB GLU 38 2HB GLU 38 7.568 -9.084 0.035 286 1HG GLU 38 1HG GLU 38 5.723 -10.302 0.207 287 2HG GLU 38 2HG GLU 38 5.759 -10.415 -1.539 288 H VAL 39 H VAL 39 7.359 -10.476 -4.162 289 HA VAL 39 HA VAL 39 5.603 -8.132 -4.726 290 HB VAL 39 HB VAL 39 6.339 -10.389 -6.626 291 1HG1 VAL 39 1HG1 VAL 39 4.831 -7.753 -7.067 292 2HG1 VAL 39 2HG1 VAL 39 5.295 -8.918 -8.325 293 3HG1 VAL 39 3HG1 VAL 39 4.144 -9.370 -7.077 294 1HG2 VAL 39 1HG2 VAL 39 7.658 -8.645 -7.846 295 2HG2 VAL 39 2HG2 VAL 39 7.533 -7.618 -6.403 296 3HG2 VAL 39 3HG2 VAL 39 8.356 -9.171 -6.295 297 H VAL 40 H VAL 40 3.778 -8.501 -3.597 298 HA VAL 40 HA VAL 40 2.412 -11.129 -3.787 299 HB VAL 40 HB VAL 40 1.920 -8.457 -2.499 300 1HG1 VAL 40 1HG1 VAL 40 -0.319 -9.147 -1.756 301 2HG1 VAL 40 2HG1 VAL 40 -0.267 -8.965 -3.511 302 3HG1 VAL 40 3HG1 VAL 40 -0.229 -10.592 -2.793 303 1HG2 VAL 40 1HG2 VAL 40 1.609 -9.874 -0.479 304 2HG2 VAL 40 2HG2 VAL 40 1.848 -11.321 -1.485 305 3HG2 VAL 40 3HG2 VAL 40 3.175 -10.165 -1.256 306 H GLU 41 H GLU 41 0.708 -11.408 -5.255 307 HA GLU 41 HA GLU 41 0.013 -9.244 -7.189 308 1HB GLU 41 1HB GLU 41 0.915 -11.440 -8.159 309 2HB GLU 41 2HB GLU 41 -0.461 -12.236 -7.376 310 1HG GLU 41 1HG GLU 41 -1.978 -10.672 -8.730 311 2HG GLU 41 2HG GLU 41 -0.522 -10.174 -9.597 312 H ASN 42 H ASN 42 -2.380 -8.865 -7.266 313 HA ASN 42 HA ASN 42 -4.121 -10.551 -5.650 314 1HB ASN 42 1HB ASN 42 -2.854 -8.786 -4.116 315 2HB ASN 42 2HB ASN 42 -3.940 -7.652 -4.893 316 1HD2 ASN 42 1HD2 ASN 42 -5.710 -10.673 -4.483 317 2HD2 ASN 42 2HD2 ASN 42 -6.240 -10.313 -2.876 318 H THR 43 H THR 43 -6.178 -10.481 -6.504 319 HA THR 43 HA THR 43 -6.509 -8.544 -8.751 320 HB THR 43 HB THR 43 -7.547 -10.492 -9.906 321 HG1 THR 43 HG1 THR 43 -6.270 -12.010 -7.856 322 1HG2 THR 43 1HG2 THR 43 -5.168 -9.749 -10.246 323 2HG2 THR 43 2HG2 THR 43 -4.633 -10.915 -9.010 324 3HG2 THR 43 3HG2 THR 43 -5.414 -11.477 -10.496 325 H ILE 44 H ILE 44 -7.344 -7.391 -6.818 326 HA ILE 44 HA ILE 44 -10.037 -7.957 -5.921 327 HB ILE 44 HB ILE 44 -9.674 -5.532 -5.010 328 1HG1 ILE 44 1HG1 ILE 44 -7.408 -5.495 -6.587 329 2HG1 ILE 44 2HG1 ILE 44 -7.770 -4.450 -5.292 330 1HG2 ILE 44 1HG2 ILE 44 -8.566 -6.452 -3.044 331 2HG2 ILE 44 2HG2 ILE 44 -9.834 -7.497 -3.669 332 3HG2 ILE 44 3HG2 ILE 44 -8.134 -7.918 -3.969 333 1HD1 ILE 44 1HD1 ILE 44 -6.449 -5.831 -3.702 334 2HD1 ILE 44 2HD1 ILE 44 -6.162 -7.006 -5.013 335 3HD1 ILE 44 3HD1 ILE 44 -5.486 -5.372 -5.098 336 H ALA 45 H ALA 45 -10.867 -8.142 -8.099 337 HA ALA 45 HA ALA 45 -11.702 -5.564 -9.361 338 1HB ALA 45 1HB ALA 45 -11.787 -8.440 -10.368 339 2HB ALA 45 2HB ALA 45 -12.235 -7.002 -11.302 340 3HB ALA 45 3HB ALA 45 -10.567 -7.214 -10.772 341 H ASP 46 H ASP 46 -13.094 -6.263 -6.843 342 HA ASP 46 HA ASP 46 -15.801 -6.273 -7.969 343 1HB ASP 46 1HB ASP 46 -14.927 -8.713 -7.102 344 2HB ASP 46 2HB ASP 46 -15.543 -8.055 -5.598 345 H ALA 47 H ALA 47 -17.332 -6.167 -5.805 346 HA ALA 47 HA ALA 47 -16.445 -3.639 -4.520 347 1HB ALA 47 1HB ALA 47 -18.134 -3.475 -6.287 348 2HB ALA 47 2HB ALA 47 -19.178 -4.596 -5.386 349 3HB ALA 47 3HB ALA 47 -18.778 -2.998 -4.711 350 H HIS 48 H HIS 48 -15.800 -6.091 -3.225 351 HA HIS 48 HA HIS 48 -17.727 -7.160 -1.507 352 1HB HIS 48 1HB HIS 48 -14.737 -6.856 -0.986 353 2HB HIS 48 2HB HIS 48 -15.816 -7.939 -0.129 354 HD1 HIS 48 HD1 HIS 48 -16.319 -10.258 -1.230 355 HD2 HIS 48 HD2 HIS 48 -14.007 -7.591 -3.509 356 HE1 HIS 48 HE1 HIS 48 -15.346 -11.614 -3.177 357 H GLY 49 H GLY 49 -18.257 -6.846 0.698 358 1HA GLY 49 1HA GLY 49 -17.749 -4.141 1.788 359 2HA GLY 49 2HA GLY 49 -19.022 -5.273 2.252 360 H THR 50 H THR 50 -17.072 -7.648 2.460 361 HA THR 50 HA THR 50 -15.346 -6.775 4.655 362 HB THR 50 HB THR 50 -17.606 -7.127 5.656 363 HG1 THR 50 HG1 THR 50 -15.912 -7.462 6.999 364 1HG2 THR 50 1HG2 THR 50 -18.466 -9.429 5.940 365 2HG2 THR 50 2HG2 THR 50 -18.507 -8.909 4.250 366 3HG2 THR 50 3HG2 THR 50 -17.246 -10.029 4.807 367 H GLY 51 H GLY 51 -14.055 -8.606 5.476 368 1HA GLY 51 1HA GLY 51 -12.579 -10.382 5.058 369 2HA GLY 51 2HA GLY 51 -13.411 -10.731 3.531 370 HA PRO 52 HA PRO 52 -10.556 -6.780 2.927 371 1HB PRO 52 1HB PRO 52 -8.118 -7.049 3.805 372 2HB PRO 52 2HB PRO 52 -9.427 -6.328 4.778 373 1HG PRO 52 1HG PRO 52 -8.273 -9.120 4.971 374 2HG PRO 52 2HG PRO 52 -8.692 -8.035 6.295 375 1HD PRO 52 1HD PRO 52 -10.456 -9.963 5.497 376 2HD PRO 52 2HD PRO 52 -11.015 -8.373 6.072 377 H LYS 53 H LYS 53 -9.463 -10.187 3.062 378 HA LYS 53 HA LYS 53 -7.982 -11.377 2.002 379 1HB LYS 53 1HB LYS 53 -8.395 -11.992 -0.021 380 2HB LYS 53 2HB LYS 53 -9.821 -10.993 0.231 381 1HG LYS 53 1HG LYS 53 -8.509 -9.152 -1.009 382 2HG LYS 53 2HG LYS 53 -7.366 -10.431 -1.443 383 1HD LYS 53 1HD LYS 53 -8.893 -10.368 -3.277 384 2HD LYS 53 2HD LYS 53 -9.441 -11.743 -2.294 385 1HE LYS 53 1HE LYS 53 -10.886 -9.835 -1.076 386 2HE LYS 53 2HE LYS 53 -10.613 -8.956 -2.561 387 1HZ LYS 53 1HZ LYS 53 -11.652 -10.870 -3.763 388 2HZ LYS 53 2HZ LYS 53 -11.945 -11.570 -2.291 389 3HZ LYS 53 3HZ LYS 53 -12.653 -10.160 -2.679 390 H VAL 54 H VAL 54 -7.533 -8.256 0.334 391 HA VAL 54 HA VAL 54 -4.804 -8.448 0.043 392 HB VAL 54 HB VAL 54 -6.246 -6.850 -1.111 393 1HG1 VAL 54 1HG1 VAL 54 -7.117 -4.865 -0.331 394 2HG1 VAL 54 2HG1 VAL 54 -7.642 -6.073 0.832 395 3HG1 VAL 54 3HG1 VAL 54 -6.294 -4.975 1.229 396 1HG2 VAL 54 1HG2 VAL 54 -3.824 -6.442 -1.075 397 2HG2 VAL 54 2HG2 VAL 54 -4.724 -4.915 -1.104 398 3HG2 VAL 54 3HG2 VAL 54 -3.987 -5.490 0.403 399 H VAL 55 H VAL 55 -6.455 -6.611 2.645 400 HA VAL 55 HA VAL 55 -4.122 -6.182 4.234 401 HB VAL 55 HB VAL 55 -6.924 -6.371 5.347 402 1HG1 VAL 55 1HG1 VAL 55 -5.358 -5.962 6.992 403 2HG1 VAL 55 2HG1 VAL 55 -4.564 -4.675 6.038 404 3HG1 VAL 55 3HG1 VAL 55 -6.230 -4.470 6.643 405 1HG2 VAL 55 1HG2 VAL 55 -7.209 -4.999 3.291 406 2HG2 VAL 55 2HG2 VAL 55 -7.196 -3.930 4.679 407 3HG2 VAL 55 3HG2 VAL 55 -5.729 -4.097 3.700 408 H GLN 56 H GLN 56 -6.530 -8.891 4.637 409 HA GLN 56 HA GLN 56 -5.279 -9.968 6.789 410 1HB GLN 56 1HB GLN 56 -6.734 -11.403 4.591 411 2HB GLN 56 2HB GLN 56 -5.973 -12.287 5.910 412 1HG GLN 56 1HG GLN 56 -7.557 -10.106 7.021 413 2HG GLN 56 2HG GLN 56 -8.519 -11.087 5.911 414 1HE2 GLN 56 1HE2 GLN 56 -6.891 -11.076 9.041 415 2HE2 GLN 56 2HE2 GLN 56 -7.646 -12.546 9.603 416 H SER 57 H SER 57 -4.443 -10.546 3.344 417 HA SER 57 HA SER 57 -2.253 -12.309 3.784 418 1HB SER 57 1HB SER 57 -3.788 -11.544 1.645 419 2HB SER 57 2HB SER 57 -2.311 -10.622 1.324 420 HG SER 57 HG SER 57 -2.858 -13.329 1.297 421 H LEU 58 H LEU 58 -2.240 -8.757 3.152 422 HA LEU 58 HA LEU 58 0.650 -8.616 3.090 423 1HB LEU 58 1HB LEU 58 -1.453 -6.489 3.705 424 2HB LEU 58 2HB LEU 58 0.249 -6.157 3.410 425 HG LEU 58 HG LEU 58 -1.675 -7.360 1.372 426 1HD1 LEU 58 1HD1 LEU 58 -0.409 -4.604 1.503 427 2HD1 LEU 58 2HD1 LEU 58 -1.536 -5.212 0.262 428 3HD1 LEU 58 3HD1 LEU 58 -2.078 -4.988 1.942 429 1HD2 LEU 58 1HD2 LEU 58 0.615 -8.136 0.974 430 2HD2 LEU 58 2HD2 LEU 58 0.014 -7.060 -0.277 431 3HD2 LEU 58 3HD2 LEU 58 1.151 -6.431 0.939 432 H VAL 59 H VAL 59 -1.768 -8.228 5.650 433 HA VAL 59 HA VAL 59 0.011 -7.524 7.787 434 HB VAL 59 HB VAL 59 -2.767 -8.673 7.435 435 1HG1 VAL 59 1HG1 VAL 59 -2.101 -9.675 9.521 436 2HG1 VAL 59 2HG1 VAL 59 -1.390 -8.148 10.082 437 3HG1 VAL 59 3HG1 VAL 59 -3.145 -8.279 9.854 438 1HG2 VAL 59 1HG2 VAL 59 -3.418 -6.473 8.379 439 2HG2 VAL 59 2HG2 VAL 59 -1.698 -6.029 8.515 440 3HG2 VAL 59 3HG2 VAL 59 -2.454 -6.300 6.921 441 H SER 60 H SER 60 -1.171 -10.724 6.522 442 HA SER 60 HA SER 60 0.415 -12.254 8.290 443 1HB SER 60 1HB SER 60 -1.262 -12.680 5.922 444 2HB SER 60 2HB SER 60 0.166 -13.702 5.868 445 HG SER 60 HG SER 60 -0.350 -14.651 7.695 446 H LYS 61 H LYS 61 1.653 -10.051 6.184 447 HA LYS 61 HA LYS 61 4.248 -11.489 5.991 448 1HB LYS 61 1HB LYS 61 2.866 -9.698 3.929 449 2HB LYS 61 2HB LYS 61 4.565 -10.155 3.837 450 1HG LYS 61 1HG LYS 61 4.116 -12.381 3.360 451 2HG LYS 61 2HG LYS 61 2.481 -12.362 4.003 452 1HD LYS 61 1HD LYS 61 1.598 -11.152 2.191 453 2HD LYS 61 2HD LYS 61 3.213 -10.719 1.571 454 1HE LYS 61 1HE LYS 61 1.899 -13.468 1.555 455 2HE LYS 61 2HE LYS 61 2.229 -12.431 0.170 456 1HZ LYS 61 1HZ LYS 61 4.704 -12.758 1.031 457 2HZ LYS 61 2HZ LYS 61 4.042 -14.112 1.660 458 3HZ LYS 61 3HZ LYS 61 3.950 -13.803 0.035 459 H GLY 62 H GLY 62 3.034 -9.889 8.075 460 1HA GLY 62 1HA GLY 62 3.750 -8.447 9.635 461 2HA GLY 62 2HA GLY 62 5.333 -8.579 8.858 462 H VAL 63 H VAL 63 2.828 -7.136 6.922 463 HA VAL 63 HA VAL 63 4.331 -4.746 6.618 464 HB VAL 63 HB VAL 63 1.574 -5.619 5.724 465 1HG1 VAL 63 1HG1 VAL 63 1.613 -3.165 5.697 466 2HG1 VAL 63 2HG1 VAL 63 3.116 -3.192 4.751 467 3HG1 VAL 63 3HG1 VAL 63 1.594 -3.830 4.072 468 1HG2 VAL 63 1HG2 VAL 63 2.584 -5.983 3.543 469 2HG2 VAL 63 2HG2 VAL 63 4.123 -5.312 4.094 470 3HG2 VAL 63 3HG2 VAL 63 3.541 -6.860 4.733 471 H GLU 64 H GLU 64 4.679 -3.435 8.143 472 HA GLU 64 HA GLU 64 2.501 -2.509 10.033 473 1HB GLU 64 1HB GLU 64 5.534 -2.698 10.052 474 2HB GLU 64 2HB GLU 64 4.776 -1.588 11.145 475 1HG GLU 64 1HG GLU 64 3.619 -4.315 11.264 476 2HG GLU 64 2HG GLU 64 5.312 -4.191 11.683 477 H TYR 65 H TYR 65 2.653 -1.419 7.230 478 HA TYR 65 HA TYR 65 2.742 1.403 7.529 479 1HB TYR 65 1HB TYR 65 5.200 -0.086 6.569 480 2HB TYR 65 2HB TYR 65 4.743 1.426 5.835 481 HD1 TYR 65 HD1 TYR 65 4.225 3.434 7.520 482 HD2 TYR 65 HD2 TYR 65 7.003 0.191 7.931 483 HE1 TYR 65 HE1 TYR 65 5.617 4.827 9.035 484 HE2 TYR 65 HE2 TYR 65 8.359 1.527 9.508 485 HH TYR 65 HH TYR 65 7.772 5.014 9.824 486 H LEU 66 H LEU 66 2.823 2.269 5.131 487 HA LEU 66 HA LEU 66 2.449 0.553 2.925 488 1HB LEU 66 1HB LEU 66 0.350 -0.096 3.827 489 2HB LEU 66 2HB LEU 66 0.023 1.509 4.451 490 HG LEU 66 HG LEU 66 -0.346 2.401 2.286 491 1HD1 LEU 66 1HD1 LEU 66 -0.769 0.778 0.319 492 2HD1 LEU 66 2HD1 LEU 66 0.908 0.976 0.695 493 3HD1 LEU 66 3HD1 LEU 66 0.058 -0.476 1.263 494 1HD2 LEU 66 1HD2 LEU 66 -1.963 -0.129 2.843 495 2HD2 LEU 66 2HD2 LEU 66 -2.191 1.465 3.583 496 3HD2 LEU 66 3HD2 LEU 66 -2.501 1.246 1.852 497 H ILE 67 H ILE 67 2.549 1.882 1.078 498 HA ILE 67 HA ILE 67 2.500 4.851 1.427 499 HB ILE 67 HB ILE 67 3.952 2.952 -0.501 500 1HG1 ILE 67 1HG1 ILE 67 5.237 5.035 1.374 501 2HG1 ILE 67 2HG1 ILE 67 4.775 3.526 2.088 502 1HG2 ILE 67 1HG2 ILE 67 5.223 5.150 -1.088 503 2HG2 ILE 67 2HG2 ILE 67 3.626 4.894 -1.815 504 3HG2 ILE 67 3HG2 ILE 67 3.835 6.003 -0.427 505 1HD1 ILE 67 1HD1 ILE 67 6.617 3.532 -0.282 506 2HD1 ILE 67 2HD1 ILE 67 7.156 3.653 1.406 507 3HD1 ILE 67 3HD1 ILE 67 6.258 2.228 0.846 508 H ALA 68 H ALA 68 0.478 5.576 0.665 509 HA ALA 68 HA ALA 68 -0.744 4.425 -1.690 510 1HB ALA 68 1HB ALA 68 -1.899 3.738 1.024 511 2HB ALA 68 2HB ALA 68 -2.813 3.712 -0.501 512 3HB ALA 68 3HB ALA 68 -1.409 2.659 -0.311 513 H SER 69 H SER 69 -1.204 6.433 -2.397 514 HA SER 69 HA SER 69 -1.939 8.781 -0.843 515 1HB SER 69 1HB SER 69 -0.792 9.256 -2.756 516 2HB SER 69 2HB SER 69 -1.582 8.106 -3.741 517 HG SER 69 HG SER 69 -3.215 9.480 -4.058 518 H ASN 70 H ASN 70 -3.910 6.087 -1.869 519 HA ASN 70 HA ASN 70 -6.105 7.283 -0.501 520 1HB ASN 70 1HB ASN 70 -5.987 7.759 -3.385 521 2HB ASN 70 2HB ASN 70 -7.204 6.531 -3.146 522 1HD2 ASN 70 1HD2 ASN 70 -6.179 9.629 -1.593 523 2HD2 ASN 70 2HD2 ASN 70 -7.799 10.298 -1.458 524 H VAL 71 H VAL 71 -8.173 5.564 -0.927 525 HA VAL 71 HA VAL 71 -6.977 2.856 -1.171 526 HB VAL 71 HB VAL 71 -7.347 3.842 1.158 527 1HG1 VAL 71 1HG1 VAL 71 -10.150 2.796 1.033 528 2HG1 VAL 71 2HG1 VAL 71 -9.386 3.875 2.198 529 3HG1 VAL 71 3HG1 VAL 71 -9.853 4.502 0.616 530 1HG2 VAL 71 1HG2 VAL 71 -6.771 1.693 1.201 531 2HG2 VAL 71 2HG2 VAL 71 -8.259 1.706 2.096 532 3HG2 VAL 71 3HG2 VAL 71 -8.293 1.110 0.420 533 H GLY 72 H GLY 72 -8.367 1.241 -1.871 534 1HA GLY 72 1HA GLY 72 -10.461 1.635 -3.768 535 2HA GLY 72 2HA GLY 72 -10.049 0.158 -2.985 536 H ARG 73 H ARG 73 -10.914 2.759 -0.810 537 HA ARG 73 HA ARG 73 -12.562 3.180 0.599 538 1HB ARG 73 1HB ARG 73 -13.563 3.491 -1.793 539 2HB ARG 73 2HB ARG 73 -14.604 2.139 -1.324 540 1HG ARG 73 1HG ARG 73 -15.079 3.615 0.842 541 2HG ARG 73 2HG ARG 73 -14.363 4.906 -0.101 542 1HD ARG 73 1HD ARG 73 -16.371 5.268 -0.998 543 2HD ARG 73 2HD ARG 73 -16.221 3.752 -1.880 544 HE ARG 73 HE ARG 73 -17.792 4.354 0.534 545 1HH1 ARG 73 2HH2 ARG 73 -16.660 1.649 -1.531 546 2HH1 ARG 73 1HH2 ARG 73 -17.911 0.597 -1.021 547 1HH2 ARG 73 2HH1 ARG 73 -19.451 2.922 1.184 548 2HH2 ARG 73 1HH1 ARG 73 -19.502 1.326 0.526 549 H ASN 74 H ASN 74 -11.924 -0.051 0.125 550 HA ASN 74 HA ASN 74 -13.431 -0.689 2.577 551 1HB ASN 74 1HB ASN 74 -14.123 -2.834 1.801 552 2HB ASN 74 2HB ASN 74 -14.749 -1.659 0.669 553 1HD2 ASN 74 1HD2 ASN 74 -13.105 -1.292 -1.375 554 2HD2 ASN 74 2HD2 ASN 74 -12.295 -2.725 -1.932 555 H ALA 75 H ALA 75 -11.665 -0.747 3.921 556 HA ALA 75 HA ALA 75 -9.647 -2.545 4.084 557 1HB ALA 75 1HB ALA 75 -7.655 -1.057 3.126 558 2HB ALA 75 2HB ALA 75 -8.509 -2.163 2.050 559 3HB ALA 75 3HB ALA 75 -8.918 -0.425 2.044 560 H PHE 76 H PHE 76 -10.270 1.029 4.315 561 HA PHE 76 HA PHE 76 -7.766 1.585 5.516 562 1HB PHE 76 1HB PHE 76 -9.108 3.366 4.622 563 2HB PHE 76 2HB PHE 76 -10.449 2.990 5.685 564 HD1 PHE 76 HD1 PHE 76 -10.335 3.706 8.180 565 HD2 PHE 76 HD2 PHE 76 -7.152 4.639 5.429 566 HE1 PHE 76 HE1 PHE 76 -9.704 5.621 9.567 567 HE2 PHE 76 HE2 PHE 76 -6.452 6.509 6.902 568 HZ PHE 76 HZ PHE 76 -7.761 7.026 8.962 569 H GLU 77 H GLU 77 -10.878 0.770 7.040 570 HA GLU 77 HA GLU 77 -10.015 1.090 9.722 571 1HB GLU 77 1HB GLU 77 -12.227 -0.521 8.401 572 2HB GLU 77 2HB GLU 77 -12.113 -0.267 10.158 573 1HG GLU 77 1HG GLU 77 -12.566 1.982 10.055 574 2HG GLU 77 2HG GLU 77 -11.882 2.216 8.465 575 H THR 78 H THR 78 -9.952 -1.777 7.487 576 HA THR 78 HA THR 78 -8.993 -3.550 9.490 577 HB THR 78 HB THR 78 -8.557 -3.878 6.488 578 HG1 THR 78 HG1 THR 78 -10.972 -4.285 7.909 579 1HG2 THR 78 1HG2 THR 78 -7.779 -5.737 7.818 580 2HG2 THR 78 2HG2 THR 78 -9.224 -5.716 8.818 581 3HG2 THR 78 3HG2 THR 78 -9.352 -6.197 7.124 582 H LEU 79 H LEU 79 -7.473 -0.853 7.956 583 HA LEU 79 HA LEU 79 -4.789 -2.094 7.930 584 1HB LEU 79 1HB LEU 79 -5.694 0.730 7.223 585 2HB LEU 79 2HB LEU 79 -4.042 0.255 7.297 586 HG LEU 79 HG LEU 79 -6.041 -1.084 5.427 587 1HD1 LEU 79 1HD1 LEU 79 -4.017 1.079 4.794 588 2HD1 LEU 79 2HD1 LEU 79 -4.987 0.198 3.593 589 3HD1 LEU 79 3HD1 LEU 79 -5.774 1.275 4.753 590 1HD2 LEU 79 1HD2 LEU 79 -4.024 -1.922 4.277 591 2HD2 LEU 79 2HD2 LEU 79 -2.991 -1.126 5.477 592 3HD2 LEU 79 3HD2 LEU 79 -4.047 -2.464 5.952 593 H LYS 80 H LYS 80 -6.811 0.240 9.627 594 HA LYS 80 HA LYS 80 -4.969 0.784 11.747 595 1HB LYS 80 1HB LYS 80 -7.644 1.084 12.660 596 2HB LYS 80 2HB LYS 80 -6.418 2.262 12.252 597 1HG LYS 80 1HG LYS 80 -8.032 1.300 10.103 598 2HG LYS 80 2HG LYS 80 -8.687 2.466 11.232 599 1HD LYS 80 1HD LYS 80 -7.507 3.381 9.095 600 2HD LYS 80 2HD LYS 80 -7.188 4.153 10.664 601 1HE LYS 80 1HE LYS 80 -5.161 2.789 10.887 602 2HE LYS 80 2HE LYS 80 -5.479 2.017 9.365 603 1HZ LYS 80 1HZ LYS 80 -5.166 4.223 8.330 604 2HZ LYS 80 2HZ LYS 80 -4.926 4.871 9.839 605 3HZ LYS 80 3HZ LYS 80 -3.839 3.797 9.272 606 H ALA 81 H ALA 81 -7.495 -1.696 11.309 607 HA ALA 81 HA ALA 81 -7.498 -2.749 13.863 608 1HB ALA 81 1HB ALA 81 -8.400 -4.761 12.907 609 2HB ALA 81 2HB ALA 81 -8.999 -3.404 11.959 610 3HB ALA 81 3HB ALA 81 -7.684 -4.414 11.318 611 H ALA 82 H ALA 82 -5.218 -3.532 11.166 612 HA ALA 82 HA ALA 82 -3.532 -5.097 13.083 613 1HB ALA 82 1HB ALA 82 -3.419 -4.605 10.082 614 2HB ALA 82 2HB ALA 82 -2.303 -5.643 10.981 615 3HB ALA 82 3HB ALA 82 -4.026 -6.067 10.891 616 H GLY 83 H GLY 83 -3.855 -2.149 13.409 617 1HA GLY 83 1HA GLY 83 -2.789 -0.233 13.564 618 2HA GLY 83 2HA GLY 83 -1.474 -1.209 14.245 619 H VAL 84 H VAL 84 -2.507 -1.121 10.820 620 HA VAL 84 HA VAL 84 0.219 -0.743 9.995 621 HB VAL 84 HB VAL 84 -2.336 -0.856 8.331 622 1HG1 VAL 84 1HG1 VAL 84 -0.325 -0.142 7.043 623 2HG1 VAL 84 2HG1 VAL 84 0.518 -1.608 7.584 624 3HG1 VAL 84 3HG1 VAL 84 -0.912 -1.721 6.542 625 1HG2 VAL 84 1HG2 VAL 84 -2.268 -2.795 9.758 626 2HG2 VAL 84 2HG2 VAL 84 -1.960 -3.262 8.103 627 3HG2 VAL 84 3HG2 VAL 84 -0.609 -3.162 9.282 628 H LYS 85 H LYS 85 1.229 1.076 9.546 629 HA LYS 85 HA LYS 85 -0.256 3.561 9.637 630 1HB LYS 85 1HB LYS 85 2.513 2.750 9.990 631 2HB LYS 85 2HB LYS 85 2.459 3.940 8.693 632 1HG LYS 85 1HG LYS 85 1.197 5.503 10.188 633 2HG LYS 85 2HG LYS 85 1.337 4.301 11.483 634 1HD LYS 85 1HD LYS 85 3.860 4.447 11.266 635 2HD LYS 85 2HD LYS 85 3.632 5.704 10.050 636 1HE LYS 85 1HE LYS 85 4.100 6.881 12.025 637 2HE LYS 85 2HE LYS 85 2.355 7.052 11.804 638 1HZ LYS 85 1HZ LYS 85 2.958 6.502 14.086 639 2HZ LYS 85 2HZ LYS 85 2.053 5.297 13.441 640 3HZ LYS 85 3HZ LYS 85 3.675 5.099 13.595 641 H VAL 86 H VAL 86 0.120 5.194 7.704 642 HA VAL 86 HA VAL 86 0.144 3.870 5.041 643 HB VAL 86 HB VAL 86 -2.274 5.413 6.076 644 1HG1 VAL 86 1HG1 VAL 86 -1.757 4.011 3.413 645 2HG1 VAL 86 2HG1 VAL 86 -3.246 4.891 3.903 646 3HG1 VAL 86 3HG1 VAL 86 -1.744 5.756 3.662 647 1HG2 VAL 86 1HG2 VAL 86 -3.478 3.204 5.690 648 2HG2 VAL 86 2HG2 VAL 86 -1.871 2.422 5.574 649 3HG2 VAL 86 3HG2 VAL 86 -2.377 3.196 7.067 650 H TYR 87 H TYR 87 1.211 5.284 3.730 651 HA TYR 87 HA TYR 87 1.401 8.154 4.430 652 1HB TYR 87 1HB TYR 87 3.224 6.142 3.064 653 2HB TYR 87 2HB TYR 87 3.266 7.788 2.496 654 HD1 TYR 87 HD1 TYR 87 4.529 9.381 3.622 655 HD2 TYR 87 HD2 TYR 87 3.627 5.729 5.660 656 HE1 TYR 87 HE1 TYR 87 6.046 10.075 5.403 657 HE2 TYR 87 HE2 TYR 87 5.146 6.409 7.517 658 HH TYR 87 HH TYR 87 6.867 9.568 7.470 659 H ARG 88 H ARG 88 1.406 9.591 2.647 660 HA ARG 88 HA ARG 88 -0.361 8.826 0.427 661 1HB ARG 88 1HB ARG 88 -0.712 11.011 1.535 662 2HB ARG 88 2HB ARG 88 0.927 11.494 1.175 663 1HG ARG 88 1HG ARG 88 0.385 12.227 -0.898 664 2HG ARG 88 2HG ARG 88 -0.414 10.735 -1.307 665 1HD ARG 88 1HD ARG 88 -1.968 12.506 -1.561 666 2HD ARG 88 2HD ARG 88 -2.491 11.490 -0.209 667 HE ARG 88 HE ARG 88 -0.768 13.655 0.656 668 1HH1 ARG 88 2HH2 ARG 88 -4.040 13.525 -0.750 669 2HH1 ARG 88 1HH2 ARG 88 -4.572 14.856 0.216 670 1HH2 ARG 88 2HH1 ARG 88 -1.539 15.205 2.006 671 2HH2 ARG 88 1HH1 ARG 88 -3.128 15.844 1.843 672 H PHE 89 H PHE 89 0.552 9.182 -1.741 673 HA PHE 89 HA PHE 89 3.403 9.741 -1.969 674 1HB PHE 89 1HB PHE 89 3.914 7.743 -2.778 675 2HB PHE 89 2HB PHE 89 2.372 7.158 -2.339 676 HD1 PHE 89 HD1 PHE 89 4.562 7.447 -5.180 677 HD2 PHE 89 HD2 PHE 89 0.419 7.582 -3.964 678 HE1 PHE 89 HE1 PHE 89 3.849 6.924 -7.416 679 HE2 PHE 89 HE2 PHE 89 -0.289 7.072 -6.313 680 HZ PHE 89 HZ PHE 89 1.457 6.788 -8.056 681 H GLU 90 H GLU 90 3.867 10.772 -4.297 682 HA GLU 90 HA GLU 90 1.313 11.762 -5.416 683 1HB GLU 90 1HB GLU 90 2.101 14.019 -5.685 684 2HB GLU 90 2HB GLU 90 1.799 13.514 -4.030 685 1HG GLU 90 1HG GLU 90 4.154 13.469 -3.507 686 2HG GLU 90 2HG GLU 90 4.603 13.669 -5.201 687 H GLY 91 H GLY 91 1.716 10.081 -6.839 688 1HA GLY 91 1HA GLY 91 2.211 9.296 -8.953 689 2HA GLY 91 2HA GLY 91 3.043 10.813 -9.318 690 H GLY 92 H GLY 92 4.004 8.168 -10.037 691 1HA GLY 92 1HA GLY 92 6.652 8.080 -9.826 692 2HA GLY 92 2HA GLY 92 6.229 7.662 -8.175 693 H THR 93 H THR 93 7.674 5.984 -9.818 694 HA THR 93 HA THR 93 5.879 3.674 -10.118 695 HB THR 93 HB THR 93 8.079 2.742 -11.150 696 HG1 THR 93 HG1 THR 93 9.478 4.539 -10.707 697 1HG2 THR 93 1HG2 THR 93 6.144 3.156 -12.557 698 2HG2 THR 93 2HG2 THR 93 6.410 4.904 -12.489 699 3HG2 THR 93 3HG2 THR 93 7.544 3.854 -13.369 700 H VAL 94 H VAL 94 6.743 1.637 -9.020 701 HA VAL 94 HA VAL 94 6.612 1.984 -6.430 702 HB VAL 94 HB VAL 94 7.949 -0.244 -7.945 703 1HG1 VAL 94 1HG1 VAL 94 7.765 -1.643 -5.980 704 2HG1 VAL 94 2HG1 VAL 94 8.871 -0.325 -5.655 705 3HG1 VAL 94 3HG1 VAL 94 7.223 -0.265 -4.988 706 1HG2 VAL 94 1HG2 VAL 94 5.881 -1.375 -7.600 707 2HG2 VAL 94 2HG2 VAL 94 5.274 -0.102 -6.511 708 3HG2 VAL 94 3HG2 VAL 94 5.481 0.209 -8.241 709 H GLN 95 H GLN 95 9.899 2.196 -7.912 710 HA GLN 95 HA GLN 95 11.154 2.340 -5.410 711 1HB GLN 95 1HB GLN 95 12.077 2.073 -7.866 712 2HB GLN 95 2HB GLN 95 12.248 3.821 -7.800 713 1HG GLN 95 1HG GLN 95 13.888 3.720 -6.097 714 2HG GLN 95 2HG GLN 95 13.411 2.090 -5.600 715 1HE2 GLN 95 1HE2 GLN 95 15.587 1.167 -5.857 716 2HE2 GLN 95 2HE2 GLN 95 16.246 0.962 -7.478 717 H GLU 96 H GLU 96 9.371 4.883 -6.979 718 HA GLU 96 HA GLU 96 10.620 7.176 -5.703 719 1HB GLU 96 1HB GLU 96 7.948 6.598 -7.089 720 2HB GLU 96 2HB GLU 96 8.328 8.187 -6.484 721 1HG GLU 96 1HG GLU 96 9.566 6.644 -8.794 722 2HG GLU 96 2HG GLU 96 8.740 8.192 -8.838 723 H ALA 97 H ALA 97 7.658 5.111 -5.237 724 HA ALA 97 HA ALA 97 6.684 6.374 -2.957 725 1HB ALA 97 1HB ALA 97 5.313 4.697 -3.795 726 2HB ALA 97 2HB ALA 97 6.655 3.577 -4.091 727 3HB ALA 97 3HB ALA 97 6.067 3.785 -2.462 728 H ILE 98 H ILE 98 9.624 4.493 -3.210 729 HA ILE 98 HA ILE 98 9.792 4.149 -0.270 730 HB ILE 98 HB ILE 98 11.911 3.374 -2.345 731 1HG1 ILE 98 1HG1 ILE 98 10.059 2.616 -3.333 732 2HG1 ILE 98 2HG1 ILE 98 10.953 1.242 -2.700 733 1HG2 ILE 98 1HG2 ILE 98 12.519 3.112 0.043 734 2HG2 ILE 98 2HG2 ILE 98 11.092 2.099 0.323 735 3HG2 ILE 98 3HG2 ILE 98 12.403 1.538 -0.743 736 1HD1 ILE 98 1HD1 ILE 98 8.578 0.864 -2.421 737 2HD1 ILE 98 2HD1 ILE 98 9.318 1.052 -0.814 738 3HD1 ILE 98 3HD1 ILE 98 8.344 2.379 -1.524 739 H ASP 99 H ASP 99 11.676 5.487 -3.047 740 HA ASP 99 HA ASP 99 13.727 6.648 -1.476 741 1HB ASP 99 1HB ASP 99 12.946 6.553 -4.316 742 2HB ASP 99 2HB ASP 99 13.623 8.094 -3.883 743 H ALA 100 H ALA 100 10.509 7.683 -2.287 744 HA ALA 100 HA ALA 100 10.991 10.451 -1.399 745 1HB ALA 100 1HB ALA 100 8.580 10.686 -1.656 746 2HB ALA 100 2HB ALA 100 9.243 9.817 -3.057 747 3HB ALA 100 3HB ALA 100 8.388 8.912 -1.810 748 H PHE 101 H PHE 101 9.287 7.599 -0.007 749 HA PHE 101 HA PHE 101 8.718 8.679 2.542 750 1HB PHE 101 1HB PHE 101 7.511 6.823 1.868 751 2HB PHE 101 2HB PHE 101 8.930 5.948 1.306 752 HD1 PHE 101 HD1 PHE 101 7.224 6.989 4.480 753 HD2 PHE 101 HD2 PHE 101 10.120 4.394 2.603 754 HE1 PHE 101 HE1 PHE 101 7.409 5.650 6.573 755 HE2 PHE 101 HE2 PHE 101 10.234 3.035 4.661 756 HZ PHE 101 HZ PHE 101 8.879 3.659 6.656 757 H SER 102 H SER 102 11.494 6.764 1.475 758 HA SER 102 HA SER 102 12.611 6.295 4.064 759 1HB SER 102 1HB SER 102 14.567 5.480 2.816 760 2HB SER 102 2HB SER 102 13.020 4.850 2.179 761 HG SER 102 HG SER 102 13.121 6.208 0.502 762 H GLU 103 H GLU 103 12.586 9.099 2.087 763 HA GLU 103 HA GLU 103 14.641 10.422 3.832 764 1HB GLU 103 1HB GLU 103 13.599 10.962 0.986 765 2HB GLU 103 2HB GLU 103 14.822 11.934 1.774 766 1HG GLU 103 1HG GLU 103 15.456 8.972 1.472 767 2HG GLU 103 2HG GLU 103 15.342 9.931 0.009 768 H GLY 104 H GLY 104 11.818 9.817 4.347 769 1HA GLY 104 1HA GLY 104 10.026 10.770 5.233 770 2HA GLY 104 2HA GLY 104 11.156 12.112 5.630 771 H ARG 105 H ARG 105 10.830 11.842 2.224 772 HA ARG 105 HA ARG 105 9.321 14.349 2.101 773 1HB ARG 105 1HB ARG 105 10.590 12.627 -0.077 774 2HB ARG 105 2HB ARG 105 9.831 14.202 -0.310 775 1HG ARG 105 1HG ARG 105 11.576 15.242 1.142 776 2HG ARG 105 2HG ARG 105 12.373 13.656 1.239 777 1HD ARG 105 1HD ARG 105 13.477 14.738 -0.528 778 2HD ARG 105 2HD ARG 105 12.363 13.617 -1.307 779 HE ARG 105 HE ARG 105 11.123 16.183 -1.003 780 1HH1 ARG 105 2HH2 ARG 105 13.634 14.536 -2.944 781 2HH1 ARG 105 1HH2 ARG 105 13.520 15.633 -4.253 782 1HH2 ARG 105 2HH1 ARG 105 10.978 17.623 -2.791 783 2HH2 ARG 105 1HH1 ARG 105 12.263 17.606 -3.985 784 H LEU 106 H LEU 106 7.684 12.264 3.024 785 HA LEU 106 HA LEU 106 5.696 12.455 0.900 786 1HB LEU 106 1HB LEU 106 6.348 9.909 2.439 787 2HB LEU 106 2HB LEU 106 4.788 10.151 1.670 788 HG LEU 106 HG LEU 106 7.461 9.918 0.349 789 1HD1 LEU 106 1HD1 LEU 106 6.749 7.802 -0.344 790 2HD1 LEU 106 2HD1 LEU 106 5.866 7.917 1.203 791 3HD1 LEU 106 3HD1 LEU 106 5.037 8.220 -0.308 792 1HD2 LEU 106 1HD2 LEU 106 4.765 10.743 -0.804 793 2HD2 LEU 106 2HD2 LEU 106 6.345 11.417 -1.184 794 3HD2 LEU 106 3HD2 LEU 106 5.898 9.833 -1.839 795 H GLU 107 H GLU 107 3.570 11.455 2.448 796 HA GLU 107 HA GLU 107 3.650 13.025 4.996 797 1HB GLU 107 1HB GLU 107 1.182 12.627 3.281 798 2HB GLU 107 2HB GLU 107 1.400 13.728 4.642 799 1HG GLU 107 1HG GLU 107 2.680 15.256 3.257 800 2HG GLU 107 2HG GLU 107 2.810 14.036 1.962 801 H GLU 108 H GLU 108 2.330 11.940 6.709 802 HA GLU 108 HA GLU 108 1.514 9.205 6.298 803 1HB GLU 108 1HB GLU 108 2.585 10.022 8.348 804 2HB GLU 108 2HB GLU 108 1.399 11.341 8.483 805 1HG GLU 108 1HG GLU 108 -0.383 9.736 8.672 806 2HG GLU 108 2HG GLU 108 0.758 8.385 8.550 807 H LEU 109 H LEU 109 -0.498 8.638 5.675 808 HA LEU 109 HA LEU 109 -2.566 10.742 5.382 809 1HB LEU 109 1HB LEU 109 -1.538 9.765 3.253 810 2HB LEU 109 2HB LEU 109 -2.327 8.251 3.723 811 HG LEU 109 HG LEU 109 -4.505 9.636 3.864 812 1HD1 LEU 109 1HD1 LEU 109 -2.849 11.588 2.231 813 2HD1 LEU 109 2HD1 LEU 109 -4.613 11.623 2.402 814 3HD1 LEU 109 3HD1 LEU 109 -3.583 11.901 3.808 815 1HD2 LEU 109 1HD2 LEU 109 -3.222 9.223 1.186 816 2HD2 LEU 109 2HD2 LEU 109 -4.042 7.993 2.163 817 3HD2 LEU 109 3HD2 LEU 109 -4.988 9.368 1.555 818 H THR 110 H THR 110 -2.888 10.088 7.771 819 HA THR 110 HA THR 110 -4.171 7.444 8.082 820 HB THR 110 HB THR 110 -3.473 8.014 10.500 821 HG1 THR 110 HG1 THR 110 -1.738 9.691 10.427 822 1HG2 THR 110 1HG2 THR 110 -1.377 7.836 8.267 823 2HG2 THR 110 2HG2 THR 110 -1.091 7.472 9.982 824 3HG2 THR 110 3HG2 THR 110 -2.209 6.474 9.043 825 H THR 111 H THR 111 -5.608 9.546 6.902 826 HA THR 111 HA THR 111 -8.130 9.329 8.004 827 HB THR 111 HB THR 111 -7.589 10.676 9.894 828 HG1 THR 111 HG1 THR 111 -8.858 12.702 8.900 829 1HG2 THR 111 1HG2 THR 111 -5.568 11.883 9.090 830 2HG2 THR 111 2HG2 THR 111 -6.608 12.915 8.075 831 3HG2 THR 111 3HG2 THR 111 -6.759 12.943 9.838 832 H PHE 112 H PHE 112 -8.949 9.189 6.018 833 HA PHE 112 HA PHE 112 -9.034 11.387 4.240 834 1HB PHE 112 1HB PHE 112 -8.179 10.324 2.278 835 2HB PHE 112 2HB PHE 112 -6.918 10.657 3.430 836 HD1 PHE 112 HD1 PHE 112 -6.093 8.615 4.904 837 HD2 PHE 112 HD2 PHE 112 -8.609 8.219 1.428 838 HE1 PHE 112 HE1 PHE 112 -5.457 6.237 4.723 839 HE2 PHE 112 HE2 PHE 112 -8.077 5.851 1.326 840 HZ PHE 112 HZ PHE 112 -6.498 4.810 2.982 841 H THR 113 H THR 113 -10.498 10.722 2.454 842 HA THR 113 HA THR 113 -11.925 8.153 2.674 843 HB THR 113 HB THR 113 -14.146 9.533 2.528 844 HG1 THR 113 HG1 THR 113 -13.496 11.595 2.470 845 1HG2 THR 113 1HG2 THR 113 -13.457 8.107 4.505 846 2HG2 THR 113 2HG2 THR 113 -12.748 9.571 5.229 847 3HG2 THR 113 3HG2 THR 113 -14.485 9.493 4.895 848 H ARG 114 H ARG 114 -13.569 8.088 0.726 849 HA ARG 114 HA ARG 114 -13.070 10.082 -1.307 850 1HB ARG 114 1HB ARG 114 -11.354 8.296 -1.860 851 2HB ARG 114 2HB ARG 114 -12.674 7.130 -2.011 852 1HG ARG 114 1HG ARG 114 -12.167 7.827 -4.233 853 2HG ARG 114 2HG ARG 114 -13.655 8.668 -3.822 854 1HD ARG 114 1HD ARG 114 -12.428 10.355 -4.785 855 2HD ARG 114 2HD ARG 114 -12.074 10.630 -3.072 856 HE ARG 114 HE ARG 114 -10.025 9.058 -3.632 857 1HH1 ARG 114 2HH2 ARG 114 -11.091 11.974 -5.372 858 2HH1 ARG 114 1HH2 ARG 114 -9.705 12.022 -6.387 859 1HH2 ARG 114 2HH1 ARG 114 -8.268 9.028 -5.118 860 2HH2 ARG 114 1HH1 ARG 114 -7.974 10.401 -6.110 861 H GLU 115 H GLU 115 -14.957 10.565 -2.229 862 HA GLU 115 HA GLU 115 -17.152 8.598 -2.239 863 1HB GLU 115 1HB GLU 115 -17.374 9.883 -0.175 864 2HB GLU 115 2HB GLU 115 -17.253 11.407 -1.068 865 1HG GLU 115 1HG GLU 115 -19.378 11.006 -2.168 866 2HG GLU 115 2HG GLU 115 -19.384 9.308 -1.676 867 H GLY 116 H GLY 116 -16.717 8.399 -4.431 868 1HA GLY 116 1HA GLY 116 -17.750 10.593 -6.097 869 2HA GLY 116 2HA GLY 116 -16.111 10.002 -6.481 Start of MODEL 12 1 1H MET 1 H1 MET 1 13.978 -3.229 12.574 2 HA MET 1 HA MET 1 12.805 -4.002 10.473 3 1HB MET 1 1HB MET 1 11.415 -5.642 11.594 4 2HB MET 1 2HB MET 1 12.905 -5.443 12.488 5 1HG MET 1 1HG MET 1 11.581 -3.820 14.016 6 2HG MET 1 2HG MET 1 10.138 -4.453 13.211 7 1HE MET 1 1HE MET 1 9.688 -4.805 16.037 8 2HE MET 1 2HE MET 1 8.798 -5.797 14.863 9 3HE MET 1 3HE MET 1 9.515 -6.555 16.297 10 H ALA 2 H ALA 2 10.721 -4.295 9.512 11 HA ALA 2 HA ALA 2 8.331 -3.894 10.094 12 1HB ALA 2 1HB ALA 2 8.322 -1.536 10.743 13 2HB ALA 2 2HB ALA 2 9.230 -1.087 9.271 14 3HB ALA 2 3HB ALA 2 7.553 -1.640 9.159 15 H ARG 3 H ARG 3 6.939 -4.214 8.295 16 HA ARG 3 HA ARG 3 8.383 -4.108 5.688 17 1HB ARG 3 1HB ARG 3 6.386 -6.096 6.735 18 2HB ARG 3 2HB ARG 3 6.335 -5.623 5.051 19 1HG ARG 3 1HG ARG 3 8.328 -6.730 4.586 20 2HG ARG 3 2HG ARG 3 9.067 -6.070 6.037 21 1HD ARG 3 1HD ARG 3 9.316 -8.065 6.671 22 2HD ARG 3 2HD ARG 3 7.677 -7.881 7.313 23 HE ARG 3 HE ARG 3 7.778 -8.988 4.603 24 1HH1 ARG 3 2HH2 ARG 3 8.666 -9.881 7.880 25 2HH1 ARG 3 1HH2 ARG 3 8.174 -11.500 7.745 26 1HH2 ARG 3 2HH1 ARG 3 7.480 -11.224 4.342 27 2HH2 ARG 3 1HH1 ARG 3 7.441 -12.306 5.716 28 H VAL 4 H VAL 4 7.662 -2.801 4.212 29 HA VAL 4 HA VAL 4 5.193 -1.223 4.772 30 HB VAL 4 HB VAL 4 7.711 -0.288 4.295 31 1HG1 VAL 4 1HG1 VAL 4 7.746 -1.491 2.119 32 2HG1 VAL 4 2HG1 VAL 4 6.572 -0.280 1.539 33 3HG1 VAL 4 3HG1 VAL 4 8.193 0.228 2.084 34 1HG2 VAL 4 1HG2 VAL 4 5.104 0.985 3.552 35 2HG2 VAL 4 2HG2 VAL 4 6.343 1.412 4.782 36 3HG2 VAL 4 3HG2 VAL 4 6.641 1.761 3.116 37 H ALA 5 H ALA 5 3.602 -1.212 2.948 38 HA ALA 5 HA ALA 5 4.216 -3.247 0.835 39 1HB ALA 5 1HB ALA 5 1.537 -2.517 2.071 40 2HB ALA 5 2HB ALA 5 1.734 -3.391 0.531 41 3HB ALA 5 3HB ALA 5 2.349 -4.109 2.022 42 H ILE 6 H ILE 6 3.957 -2.401 -1.281 43 HA ILE 6 HA ILE 6 2.918 0.374 -1.478 44 HB ILE 6 HB ILE 6 5.120 -0.722 -3.196 45 1HG1 ILE 6 1HG1 ILE 6 6.372 1.214 -1.907 46 2HG1 ILE 6 2HG1 ILE 6 5.260 0.817 -0.611 47 1HG2 ILE 6 1HG2 ILE 6 3.703 0.992 -4.232 48 2HG2 ILE 6 2HG2 ILE 6 4.012 2.080 -2.856 49 3HG2 ILE 6 3HG2 ILE 6 5.338 1.580 -3.929 50 1HD1 ILE 6 1HD1 ILE 6 6.141 -1.447 -0.473 51 2HD1 ILE 6 2HD1 ILE 6 7.035 -1.257 -2.005 52 3HD1 ILE 6 3HD1 ILE 6 7.516 -0.378 -0.550 53 HA PRO 7 HA PRO 7 0.067 -1.939 -4.166 54 1HB PRO 7 1HB PRO 7 -1.628 0.161 -4.659 55 2HB PRO 7 2HB PRO 7 -1.545 -0.651 -3.065 56 1HG PRO 7 1HG PRO 7 -0.401 1.991 -3.911 57 2HG PRO 7 2HG PRO 7 -1.088 1.537 -2.320 58 1HD PRO 7 1HD PRO 7 1.531 1.559 -3.038 59 2HD PRO 7 2HD PRO 7 0.856 0.734 -1.580 60 H SER 8 H SER 8 1.439 -2.361 -5.890 61 HA SER 8 HA SER 8 2.182 -0.198 -7.784 62 1HB SER 8 1HB SER 8 3.902 -1.817 -7.024 63 2HB SER 8 2HB SER 8 2.924 -3.168 -7.561 64 HG SER 8 HG SER 8 4.211 -2.887 -9.227 65 H VAL 9 H VAL 9 1.876 -0.904 -10.108 66 HA VAL 9 HA VAL 9 -0.352 -2.806 -10.574 67 HB VAL 9 HB VAL 9 -1.263 -1.388 -12.368 68 1HG1 VAL 9 1HG1 VAL 9 -0.959 0.381 -9.936 69 2HG1 VAL 9 2HG1 VAL 9 -2.278 0.362 -11.110 70 3HG1 VAL 9 3HG1 VAL 9 -2.080 -1.013 -10.002 71 1HG2 VAL 9 1HG2 VAL 9 -0.458 1.079 -12.480 72 2HG2 VAL 9 2HG2 VAL 9 0.941 0.555 -11.581 73 3HG2 VAL 9 3HG2 VAL 9 0.637 -0.126 -13.187 74 H GLY 10 H GLY 10 2.444 -3.267 -10.539 75 1HA GLY 10 1HA GLY 10 2.478 -5.003 -12.749 76 2HA GLY 10 2HA GLY 10 3.637 -3.691 -13.014 77 H LYS 11 H LYS 11 4.912 -6.012 -12.701 78 HA LYS 11 HA LYS 11 5.193 -6.654 -9.794 79 1HB LYS 11 1HB LYS 11 5.791 -8.941 -10.619 80 2HB LYS 11 2HB LYS 11 4.158 -8.432 -11.023 81 1HG LYS 11 1HG LYS 11 4.896 -7.834 -13.307 82 2HG LYS 11 2HG LYS 11 6.538 -8.383 -12.889 83 1HD LYS 11 1HD LYS 11 5.657 -10.192 -14.057 84 2HD LYS 11 2HD LYS 11 5.307 -10.678 -12.379 85 1HE LYS 11 1HE LYS 11 3.029 -9.742 -12.584 86 2HE LYS 11 2HE LYS 11 3.422 -9.106 -14.185 87 1HZ LYS 11 1HZ LYS 11 2.238 -10.998 -14.571 88 2HZ LYS 11 2HZ LYS 11 3.779 -11.525 -14.807 89 3HZ LYS 11 3HZ LYS 11 2.957 -11.870 -13.388 90 H ASP 12 H ASP 12 6.670 -4.461 -10.885 91 HA ASP 12 HA ASP 12 9.429 -5.485 -10.710 92 1HB ASP 12 1HB ASP 12 8.518 -3.424 -12.717 93 2HB ASP 12 2HB ASP 12 10.127 -4.057 -12.507 94 H LEU 13 H LEU 13 10.815 -3.906 -9.751 95 HA LEU 13 HA LEU 13 9.563 -2.134 -7.908 96 1HB LEU 13 1HB LEU 13 11.783 -3.554 -7.953 97 2HB LEU 13 2HB LEU 13 12.483 -2.092 -8.595 98 HG LEU 13 HG LEU 13 12.931 -2.408 -6.242 99 1HD1 LEU 13 1HD1 LEU 13 10.973 -0.113 -6.354 100 2HD1 LEU 13 2HD1 LEU 13 12.436 -0.272 -5.367 101 3HD1 LEU 13 3HD1 LEU 13 12.574 -0.077 -7.126 102 1HD2 LEU 13 1HD2 LEU 13 9.946 -2.378 -5.770 103 2HD2 LEU 13 2HD2 LEU 13 11.052 -3.740 -5.522 104 3HD2 LEU 13 3HD2 LEU 13 11.182 -2.308 -4.501 105 H SER 14 H SER 14 10.172 -1.627 -11.190 106 HA SER 14 HA SER 14 9.725 1.294 -10.724 107 1HB SER 14 1HB SER 14 12.003 0.710 -11.775 108 2HB SER 14 2HB SER 14 10.992 0.042 -13.103 109 HG SER 14 HG SER 14 10.123 2.085 -13.389 110 H SER 15 H SER 15 7.767 -1.034 -10.878 111 HA SER 15 HA SER 15 6.414 -0.279 -13.351 112 1HB SER 15 1HB SER 15 5.377 -1.646 -10.821 113 2HB SER 15 2HB SER 15 4.468 -1.527 -12.336 114 HG SER 15 HG SER 15 5.948 -2.941 -13.293 115 H MET 16 H MET 16 3.955 0.917 -12.847 116 HA MET 16 HA MET 16 4.498 3.254 -11.273 117 1HB MET 16 1HB MET 16 2.200 1.954 -12.785 118 2HB MET 16 2HB MET 16 1.848 3.324 -11.752 119 1HG MET 16 1HG MET 16 3.886 3.241 -13.998 120 2HG MET 16 2HG MET 16 2.286 3.877 -14.096 121 1HE MET 16 1HE MET 16 2.876 6.821 -11.211 122 2HE MET 16 2HE MET 16 1.606 5.786 -11.917 123 3HE MET 16 3HE MET 16 2.739 5.130 -10.732 124 H VAL 17 H VAL 17 3.746 3.810 -9.268 125 HA VAL 17 HA VAL 17 2.384 1.831 -7.564 126 HB VAL 17 HB VAL 17 3.247 4.689 -7.143 127 1HG1 VAL 17 1HG1 VAL 17 2.241 2.738 -5.020 128 2HG1 VAL 17 2HG1 VAL 17 3.044 4.297 -4.711 129 3HG1 VAL 17 3HG1 VAL 17 1.448 4.259 -5.482 130 1HG2 VAL 17 1HG2 VAL 17 4.997 3.707 -5.751 131 2HG2 VAL 17 2HG2 VAL 17 4.380 2.073 -6.160 132 3HG2 VAL 17 3HG2 VAL 17 5.024 3.144 -7.402 133 H SER 18 H SER 18 0.370 2.334 -6.629 134 HA SER 18 HA SER 18 -1.556 3.451 -8.579 135 1HB SER 18 1HB SER 18 -1.164 0.912 -7.945 136 2HB SER 18 2HB SER 18 -2.013 1.302 -6.474 137 HG SER 18 HG SER 18 -2.953 1.663 -9.138 138 H ASP 19 H ASP 19 -3.078 4.826 -8.075 139 HA ASP 19 HA ASP 19 -2.857 6.274 -5.587 140 1HB ASP 19 1HB ASP 19 -4.520 6.600 -8.119 141 2HB ASP 19 2HB ASP 19 -4.720 7.668 -6.743 142 H ARG 20 H ARG 20 -3.747 3.631 -5.130 143 HA ARG 20 HA ARG 20 -6.343 3.749 -3.863 144 1HB ARG 20 1HB ARG 20 -7.323 2.073 -5.548 145 2HB ARG 20 2HB ARG 20 -7.468 3.766 -5.916 146 1HG ARG 20 1HG ARG 20 -5.652 3.563 -7.606 147 2HG ARG 20 2HG ARG 20 -5.316 1.929 -7.045 148 1HD ARG 20 1HD ARG 20 -6.574 1.268 -8.750 149 2HD ARG 20 2HD ARG 20 -7.929 1.616 -7.683 150 HE ARG 20 HE ARG 20 -7.448 4.012 -8.995 151 1HH1 ARG 20 2HH2 ARG 20 -7.808 0.685 -10.316 152 2HH1 ARG 20 1HH2 ARG 20 -8.676 1.212 -11.690 153 1HH2 ARG 20 2HH1 ARG 20 -8.929 4.609 -10.646 154 2HH2 ARG 20 1HH1 ARG 20 -9.220 3.489 -11.946 155 H PHE 21 H PHE 21 -4.823 2.745 -2.218 156 HA PHE 21 HA PHE 21 -3.385 0.427 -2.594 157 1HB PHE 21 1HB PHE 21 -3.194 1.476 -0.550 158 2HB PHE 21 2HB PHE 21 -4.928 1.631 -0.328 159 HD1 PHE 21 HD1 PHE 21 -2.264 -1.010 -0.584 160 HD2 PHE 21 HD2 PHE 21 -6.030 0.194 1.153 161 HE1 PHE 21 HE1 PHE 21 -2.382 -3.128 0.631 162 HE2 PHE 21 HE2 PHE 21 -6.128 -1.857 2.419 163 HZ PHE 21 HZ PHE 21 -4.270 -3.580 2.196 164 H ALA 22 H ALA 22 -6.747 0.520 -1.421 165 HA ALA 22 HA ALA 22 -7.001 -2.274 -1.344 166 1HB ALA 22 1HB ALA 22 -8.372 -0.550 -0.079 167 2HB ALA 22 2HB ALA 22 -9.308 -0.286 -1.577 168 3HB ALA 22 3HB ALA 22 -9.308 -1.865 -0.783 169 H ARG 23 H ARG 23 -6.558 -0.720 -4.250 170 HA ARG 23 HA ARG 23 -8.087 -2.683 -5.811 171 1HB ARG 23 1HB ARG 23 -8.282 0.324 -5.744 172 2HB ARG 23 2HB ARG 23 -8.166 -0.443 -7.288 173 1HG ARG 23 1HG ARG 23 -10.188 -1.875 -6.333 174 2HG ARG 23 2HG ARG 23 -10.356 -0.512 -5.228 175 1HD ARG 23 1HD ARG 23 -11.796 -0.047 -7.070 176 2HD ARG 23 2HD ARG 23 -10.367 0.962 -7.369 177 HE ARG 23 HE ARG 23 -10.076 -1.634 -8.555 178 1HH1 ARG 23 2HH2 ARG 23 -11.647 1.484 -9.159 179 2HH1 ARG 23 1HH2 ARG 23 -11.723 1.255 -10.876 180 1HH2 ARG 23 2HH1 ARG 23 -10.424 -2.071 -10.757 181 2HH2 ARG 23 1HH1 ARG 23 -11.230 -0.947 -11.769 182 H ALA 24 H ALA 24 -5.342 -2.860 -5.010 183 HA ALA 24 HA ALA 24 -3.931 -1.507 -7.233 184 1HB ALA 24 1HB ALA 24 -1.889 -1.700 -6.031 185 2HB ALA 24 2HB ALA 24 -3.048 -1.495 -4.708 186 3HB ALA 24 3HB ALA 24 -2.436 -3.105 -5.115 187 H GLU 25 H GLU 25 -1.996 -3.249 -8.002 188 HA GLU 25 HA GLU 25 -3.430 -5.823 -8.476 189 1HB GLU 25 1HB GLU 25 -2.129 -3.930 -10.396 190 2HB GLU 25 2HB GLU 25 -2.215 -5.671 -10.773 191 1HG GLU 25 1HG GLU 25 -4.706 -5.521 -10.176 192 2HG GLU 25 2HG GLU 25 -4.522 -3.767 -10.162 193 H TYR 26 H TYR 26 -0.481 -4.378 -7.314 194 HA TYR 26 HA TYR 26 0.510 -7.029 -6.790 195 1HB TYR 26 1HB TYR 26 1.944 -4.863 -8.388 196 2HB TYR 26 2HB TYR 26 2.804 -6.207 -7.602 197 HD1 TYR 26 HD1 TYR 26 0.675 -5.153 -10.390 198 HD2 TYR 26 HD2 TYR 26 2.513 -8.545 -8.485 199 HE1 TYR 26 HE1 TYR 26 0.195 -6.493 -12.383 200 HE2 TYR 26 HE2 TYR 26 2.065 -9.914 -10.504 201 HH TYR 26 HH TYR 26 0.641 -10.064 -12.411 202 H PHE 27 H PHE 27 1.834 -6.880 -4.900 203 HA PHE 27 HA PHE 27 1.775 -4.279 -3.463 204 1HB PHE 27 1HB PHE 27 0.849 -6.937 -2.382 205 2HB PHE 27 2HB PHE 27 1.235 -5.533 -1.388 206 HD1 PHE 27 HD1 PHE 27 -1.360 -7.221 -3.176 207 HD2 PHE 27 HD2 PHE 27 -0.032 -3.308 -1.946 208 HE1 PHE 27 HE1 PHE 27 -3.679 -6.334 -3.433 209 HE2 PHE 27 HE2 PHE 27 -2.362 -2.459 -2.247 210 HZ PHE 27 HZ PHE 27 -4.148 -3.959 -3.020 211 H ILE 28 H ILE 28 3.843 -3.883 -3.702 212 HA ILE 28 HA ILE 28 5.929 -5.977 -3.518 213 HB ILE 28 HB ILE 28 5.960 -2.972 -4.017 214 1HG1 ILE 28 1HG1 ILE 28 6.569 -3.501 -6.310 215 2HG1 ILE 28 2HG1 ILE 28 6.757 -5.196 -5.968 216 1HG2 ILE 28 1HG2 ILE 28 8.037 -3.789 -2.851 217 2HG2 ILE 28 2HG2 ILE 28 8.264 -4.957 -4.180 218 3HG2 ILE 28 3HG2 ILE 28 8.349 -3.223 -4.479 219 1HD1 ILE 28 1HD1 ILE 28 4.080 -3.843 -5.883 220 2HD1 ILE 28 2HD1 ILE 28 4.780 -4.622 -7.330 221 3HD1 ILE 28 3HD1 ILE 28 4.428 -5.585 -5.888 222 H ILE 29 H ILE 29 6.385 -6.632 -1.529 223 HA ILE 29 HA ILE 29 5.960 -4.822 0.770 224 HB ILE 29 HB ILE 29 6.074 -7.836 0.511 225 1HG1 ILE 29 1HG1 ILE 29 4.002 -5.993 1.763 226 2HG1 ILE 29 2HG1 ILE 29 3.939 -6.484 0.071 227 1HG2 ILE 29 1HG2 ILE 29 7.399 -7.347 2.477 228 2HG2 ILE 29 2HG2 ILE 29 6.256 -6.082 2.981 229 3HG2 ILE 29 3HG2 ILE 29 5.815 -7.799 3.083 230 1HD1 ILE 29 1HD1 ILE 29 4.011 -8.575 2.269 231 2HD1 ILE 29 2HD1 ILE 29 2.531 -7.825 1.708 232 3HD1 ILE 29 3HD1 ILE 29 3.545 -8.738 0.564 233 H TYR 30 H TYR 30 7.754 -3.712 1.195 234 HA TYR 30 HA TYR 30 10.454 -4.899 0.664 235 1HB TYR 30 1HB TYR 30 9.866 -2.544 -0.190 236 2HB TYR 30 2HB TYR 30 9.616 -2.067 1.465 237 HD1 TYR 30 HD1 TYR 30 11.360 -1.131 2.710 238 HD2 TYR 30 HD2 TYR 30 12.250 -3.631 -0.679 239 HE1 TYR 30 HE1 TYR 30 13.781 -0.624 2.972 240 HE2 TYR 30 HE2 TYR 30 14.676 -3.139 -0.418 241 HH TYR 30 HH TYR 30 15.859 -0.779 1.997 242 H ASP 31 H ASP 31 11.676 -5.526 2.305 243 HA ASP 31 HA ASP 31 10.653 -5.366 5.054 244 1HB ASP 31 1HB ASP 31 11.380 -7.531 3.803 245 2HB ASP 31 2HB ASP 31 13.032 -7.000 4.141 246 H THR 32 H THR 32 11.419 -3.873 6.455 247 HA THR 32 HA THR 32 13.855 -2.409 5.631 248 HB THR 32 HB THR 32 13.197 -0.707 7.190 249 HG1 THR 32 HG1 THR 32 10.974 -2.341 7.793 250 1HG2 THR 32 1HG2 THR 32 12.159 -0.634 4.974 251 2HG2 THR 32 2HG2 THR 32 10.809 -1.645 5.524 252 3HG2 THR 32 3HG2 THR 32 11.034 -0.033 6.211 253 H GLU 33 H GLU 33 14.094 -5.072 6.503 254 HA GLU 33 HA GLU 33 16.268 -4.605 8.448 255 1HB GLU 33 1HB GLU 33 14.580 -7.133 8.347 256 2HB GLU 33 2HB GLU 33 16.206 -7.015 9.050 257 1HG GLU 33 1HG GLU 33 15.204 -5.009 10.441 258 2HG GLU 33 2HG GLU 33 13.640 -5.725 9.991 259 H SER 34 H SER 34 15.483 -7.408 6.321 260 HA SER 34 HA SER 34 18.274 -6.847 5.613 261 1HB SER 34 1HB SER 34 17.430 -9.084 6.392 262 2HB SER 34 2HB SER 34 16.623 -9.286 4.840 263 HG SER 34 HG SER 34 18.924 -10.106 5.252 264 H GLY 35 H GLY 35 16.125 -5.143 4.419 265 1HA GLY 35 1HA GLY 35 15.628 -4.072 2.517 266 2HA GLY 35 2HA GLY 35 17.198 -4.604 1.908 267 H ASN 36 H ASN 36 14.877 -7.025 2.808 268 HA ASN 36 HA ASN 36 14.915 -8.224 0.168 269 1HB ASN 36 1HB ASN 36 13.614 -8.879 2.841 270 2HB ASN 36 2HB ASN 36 13.054 -9.694 1.387 271 1HD2 ASN 36 1HD2 ASN 36 14.168 -11.566 0.772 272 2HD2 ASN 36 2HD2 ASN 36 15.791 -11.910 1.286 273 H VAL 37 H VAL 37 12.982 -8.787 -1.038 274 HA VAL 37 HA VAL 37 10.713 -7.087 -0.518 275 HB VAL 37 HB VAL 37 11.373 -7.299 -3.401 276 1HG1 VAL 37 1HG1 VAL 37 10.392 -5.008 -3.359 277 2HG1 VAL 37 2HG1 VAL 37 9.323 -6.176 -2.553 278 3HG1 VAL 37 3HG1 VAL 37 10.330 -5.076 -1.585 279 1HG2 VAL 37 1HG2 VAL 37 12.689 -5.168 -3.395 280 2HG2 VAL 37 2HG2 VAL 37 12.963 -5.394 -1.655 281 3HG2 VAL 37 3HG2 VAL 37 13.578 -6.585 -2.810 282 H GLU 38 H GLU 38 8.774 -7.894 -1.343 283 HA GLU 38 HA GLU 38 8.733 -10.612 -2.548 284 1HB GLU 38 1HB GLU 38 8.235 -10.963 -0.211 285 2HB GLU 38 2HB GLU 38 7.221 -9.535 -0.144 286 1HG GLU 38 1HG GLU 38 5.647 -11.212 -0.185 287 2HG GLU 38 2HG GLU 38 5.685 -10.765 -1.874 288 H VAL 39 H VAL 39 7.553 -10.435 -4.388 289 HA VAL 39 HA VAL 39 5.761 -8.068 -4.760 290 HB VAL 39 HB VAL 39 6.577 -10.122 -6.856 291 1HG1 VAL 39 1HG1 VAL 39 5.511 -8.507 -8.402 292 2HG1 VAL 39 2HG1 VAL 39 4.347 -9.095 -7.217 293 3HG1 VAL 39 3HG1 VAL 39 5.036 -7.476 -7.043 294 1HG2 VAL 39 1HG2 VAL 39 8.540 -8.771 -6.327 295 2HG2 VAL 39 2HG2 VAL 39 7.873 -8.264 -7.883 296 3HG2 VAL 39 3HG2 VAL 39 7.585 -7.279 -6.435 297 H VAL 40 H VAL 40 3.943 -8.566 -3.612 298 HA VAL 40 HA VAL 40 2.674 -11.226 -3.983 299 HB VAL 40 HB VAL 40 2.085 -8.685 -2.467 300 1HG1 VAL 40 1HG1 VAL 40 -0.151 -9.454 -1.868 301 2HG1 VAL 40 2HG1 VAL 40 -0.034 -9.030 -3.577 302 3HG1 VAL 40 3HG1 VAL 40 -0.038 -10.738 -3.087 303 1HG2 VAL 40 1HG2 VAL 40 3.339 -10.478 -1.364 304 2HG2 VAL 40 2HG2 VAL 40 1.763 -10.239 -0.594 305 3HG2 VAL 40 3HG2 VAL 40 2.021 -11.623 -1.693 306 H GLU 41 H GLU 41 1.129 -11.523 -5.510 307 HA GLU 41 HA GLU 41 0.348 -9.361 -7.409 308 1HB GLU 41 1HB GLU 41 1.216 -11.433 -8.401 309 2HB GLU 41 2HB GLU 41 0.191 -12.391 -7.331 310 1HG GLU 41 1HG GLU 41 -1.832 -11.428 -8.521 311 2HG GLU 41 2HG GLU 41 -0.702 -10.725 -9.698 312 H ASN 42 H ASN 42 -1.897 -8.725 -7.352 313 HA ASN 42 HA ASN 42 -3.807 -10.462 -6.024 314 1HB ASN 42 1HB ASN 42 -2.789 -8.750 -4.280 315 2HB ASN 42 2HB ASN 42 -3.841 -7.609 -5.135 316 1HD2 ASN 42 1HD2 ASN 42 -3.858 -9.277 -2.269 317 2HD2 ASN 42 2HD2 ASN 42 -5.487 -9.879 -2.303 318 H THR 43 H THR 43 -5.943 -10.100 -6.836 319 HA THR 43 HA THR 43 -5.845 -8.448 -9.341 320 HB THR 43 HB THR 43 -6.601 -10.241 -10.617 321 HG1 THR 43 HG1 THR 43 -6.504 -12.246 -8.705 322 1HG2 THR 43 1HG2 THR 43 -4.380 -11.351 -8.826 323 2HG2 THR 43 2HG2 THR 43 -4.809 -11.920 -10.444 324 3HG2 THR 43 3HG2 THR 43 -4.175 -10.287 -10.229 325 H ILE 44 H ILE 44 -7.075 -7.315 -7.087 326 HA ILE 44 HA ILE 44 -9.718 -8.306 -6.835 327 HB ILE 44 HB ILE 44 -9.964 -6.221 -5.454 328 1HG1 ILE 44 1HG1 ILE 44 -7.767 -5.302 -6.408 329 2HG1 ILE 44 2HG1 ILE 44 -8.284 -4.940 -4.784 330 1HG2 ILE 44 1HG2 ILE 44 -7.991 -8.297 -4.832 331 2HG2 ILE 44 2HG2 ILE 44 -8.776 -7.229 -3.636 332 3HG2 ILE 44 3HG2 ILE 44 -9.767 -8.379 -4.611 333 1HD1 ILE 44 1HD1 ILE 44 -5.850 -5.273 -4.927 334 2HD1 ILE 44 2HD1 ILE 44 -6.551 -6.559 -3.949 335 3HD1 ILE 44 3HD1 ILE 44 -6.082 -6.875 -5.641 336 H ALA 45 H ALA 45 -10.776 -8.274 -8.682 337 HA ALA 45 HA ALA 45 -11.635 -5.663 -9.859 338 1HB ALA 45 1HB ALA 45 -10.412 -7.184 -11.364 339 2HB ALA 45 2HB ALA 45 -11.529 -8.497 -10.990 340 3HB ALA 45 3HB ALA 45 -12.109 -7.056 -11.863 341 H ASP 46 H ASP 46 -12.659 -6.627 -7.362 342 HA ASP 46 HA ASP 46 -15.468 -7.309 -7.814 343 1HB ASP 46 1HB ASP 46 -15.246 -9.299 -6.414 344 2HB ASP 46 2HB ASP 46 -14.240 -9.454 -7.835 345 H ALA 47 H ALA 47 -16.327 -7.660 -5.448 346 HA ALA 47 HA ALA 47 -15.380 -7.206 -3.056 347 1HB ALA 47 1HB ALA 47 -15.865 -4.412 -4.068 348 2HB ALA 47 2HB ALA 47 -15.869 -4.891 -2.350 349 3HB ALA 47 3HB ALA 47 -14.418 -5.099 -3.294 350 H HIS 48 H HIS 48 -17.209 -8.752 -3.472 351 HA HIS 48 HA HIS 48 -19.884 -7.608 -3.629 352 1HB HIS 48 1HB HIS 48 -18.902 -9.740 -4.770 353 2HB HIS 48 2HB HIS 48 -19.173 -10.525 -3.223 354 HD1 HIS 48 HD1 HIS 48 -21.057 -12.148 -4.241 355 HD2 HIS 48 HD2 HIS 48 -21.701 -8.022 -4.866 356 HE1 HIS 48 HE1 HIS 48 -23.347 -11.930 -5.289 357 H GLY 49 H GLY 49 -18.801 -6.555 -1.391 358 1HA GLY 49 1HA GLY 49 -19.472 -6.093 0.765 359 2HA GLY 49 2HA GLY 49 -20.569 -7.469 0.699 360 H THR 50 H THR 50 -17.288 -8.364 0.000 361 HA THR 50 HA THR 50 -17.303 -10.022 2.346 362 HB THR 50 HB THR 50 -15.185 -10.881 1.000 363 HG1 THR 50 HG1 THR 50 -15.003 -9.133 -0.414 364 1HG2 THR 50 1HG2 THR 50 -16.650 -12.163 -0.473 365 2HG2 THR 50 2HG2 THR 50 -17.369 -12.032 1.137 366 3HG2 THR 50 3HG2 THR 50 -17.994 -11.030 -0.187 367 H GLY 51 H GLY 51 -14.982 -10.611 3.182 368 1HA GLY 51 1HA GLY 51 -14.049 -8.554 4.903 369 2HA GLY 51 2HA GLY 51 -13.331 -10.150 4.651 370 HA PRO 52 HA PRO 52 -10.874 -6.407 3.174 371 1HB PRO 52 1HB PRO 52 -8.423 -7.026 4.178 372 2HB PRO 52 2HB PRO 52 -9.667 -6.075 5.021 373 1HG PRO 52 1HG PRO 52 -8.905 -8.955 5.396 374 2HG PRO 52 2HG PRO 52 -9.422 -7.789 6.629 375 1HD PRO 52 1HD PRO 52 -11.190 -9.630 5.633 376 2HD PRO 52 2HD PRO 52 -11.693 -7.987 6.110 377 H LYS 53 H LYS 53 -9.973 -9.818 3.071 378 HA LYS 53 HA LYS 53 -8.573 -11.075 2.047 379 1HB LYS 53 1HB LYS 53 -8.861 -11.517 -0.121 380 2HB LYS 53 2HB LYS 53 -10.343 -10.688 0.316 381 1HG LYS 53 1HG LYS 53 -9.198 -8.568 -0.756 382 2HG LYS 53 2HG LYS 53 -8.049 -9.729 -1.411 383 1HD LYS 53 1HD LYS 53 -9.543 -9.873 -3.126 384 2HD LYS 53 2HD LYS 53 -10.401 -10.971 -2.075 385 1HE LYS 53 1HE LYS 53 -11.662 -9.005 -1.106 386 2HE LYS 53 2HE LYS 53 -10.872 -7.941 -2.278 387 1HZ LYS 53 1HZ LYS 53 -12.025 -9.105 -4.057 388 2HZ LYS 53 2HZ LYS 53 -12.595 -10.228 -3.004 389 3HZ LYS 53 3HZ LYS 53 -13.132 -8.726 -2.919 390 H VAL 54 H VAL 54 -7.741 -7.979 0.484 391 HA VAL 54 HA VAL 54 -4.969 -8.664 0.154 392 HB VAL 54 HB VAL 54 -5.783 -7.003 -1.275 393 1HG1 VAL 54 1HG1 VAL 54 -6.955 -5.375 0.965 394 2HG1 VAL 54 2HG1 VAL 54 -6.794 -4.856 -0.714 395 3HG1 VAL 54 3HG1 VAL 54 -7.799 -6.238 -0.349 396 1HG2 VAL 54 1HG2 VAL 54 -3.565 -6.434 -0.502 397 2HG2 VAL 54 2HG2 VAL 54 -4.495 -4.953 -0.816 398 3HG2 VAL 54 3HG2 VAL 54 -4.241 -5.476 0.838 399 H VAL 55 H VAL 55 -6.602 -6.536 2.542 400 HA VAL 55 HA VAL 55 -4.273 -6.024 4.098 401 HB VAL 55 HB VAL 55 -7.005 -6.044 5.369 402 1HG1 VAL 55 1HG1 VAL 55 -6.221 -3.827 6.139 403 2HG1 VAL 55 2HG1 VAL 55 -5.220 -5.185 6.666 404 3HG1 VAL 55 3HG1 VAL 55 -4.665 -4.150 5.332 405 1HG2 VAL 55 1HG2 VAL 55 -6.198 -4.165 3.093 406 2HG2 VAL 55 2HG2 VAL 55 -7.620 -5.197 3.125 407 3HG2 VAL 55 3HG2 VAL 55 -7.527 -3.836 4.233 408 H GLN 56 H GLN 56 -6.820 -8.475 4.759 409 HA GLN 56 HA GLN 56 -5.714 -9.698 6.890 410 1HB GLN 56 1HB GLN 56 -7.428 -10.555 4.662 411 2HB GLN 56 2HB GLN 56 -6.520 -11.877 5.364 412 1HG GLN 56 1HG GLN 56 -7.952 -9.989 7.245 413 2HG GLN 56 2HG GLN 56 -8.867 -11.214 6.366 414 1HE2 GLN 56 1HE2 GLN 56 -6.692 -10.698 9.040 415 2HE2 GLN 56 2HE2 GLN 56 -6.621 -12.359 9.547 416 H SER 57 H SER 57 -4.821 -10.514 3.439 417 HA SER 57 HA SER 57 -2.830 -12.387 4.025 418 1HB SER 57 1HB SER 57 -3.392 -10.545 1.643 419 2HB SER 57 2HB SER 57 -2.434 -12.005 1.570 420 HG SER 57 HG SER 57 -4.433 -12.672 0.946 421 H LEU 58 H LEU 58 -2.505 -8.929 3.143 422 HA LEU 58 HA LEU 58 0.373 -8.993 2.991 423 1HB LEU 58 1HB LEU 58 -1.549 -6.688 3.521 424 2HB LEU 58 2HB LEU 58 0.161 -6.523 3.166 425 HG LEU 58 HG LEU 58 -1.907 -7.596 1.222 426 1HD1 LEU 58 1HD1 LEU 58 -0.429 -4.937 1.359 427 2HD1 LEU 58 2HD1 LEU 58 -1.577 -5.430 0.096 428 3HD1 LEU 58 3HD1 LEU 58 -2.133 -5.198 1.766 429 1HD2 LEU 58 1HD2 LEU 58 0.947 -6.863 0.605 430 2HD2 LEU 58 2HD2 LEU 58 0.370 -8.540 0.809 431 3HD2 LEU 58 3HD2 LEU 58 -0.282 -7.528 -0.480 432 H VAL 59 H VAL 59 -1.953 -8.107 5.547 433 HA VAL 59 HA VAL 59 -0.169 -7.228 7.542 434 HB VAL 59 HB VAL 59 -2.938 -8.425 7.373 435 1HG1 VAL 59 1HG1 VAL 59 -1.530 -7.726 9.970 436 2HG1 VAL 59 2HG1 VAL 59 -3.291 -7.960 9.793 437 3HG1 VAL 59 3HG1 VAL 59 -2.188 -9.311 9.514 438 1HG2 VAL 59 1HG2 VAL 59 -2.589 -6.074 6.746 439 2HG2 VAL 59 2HG2 VAL 59 -3.545 -6.170 8.227 440 3HG2 VAL 59 3HG2 VAL 59 -1.816 -5.754 8.320 441 H SER 60 H SER 60 -1.196 -10.608 6.684 442 HA SER 60 HA SER 60 0.291 -11.725 8.866 443 1HB SER 60 1HB SER 60 -0.568 -13.073 6.287 444 2HB SER 60 2HB SER 60 -0.141 -13.858 7.820 445 HG SER 60 HG SER 60 -2.001 -12.058 8.375 446 H LYS 61 H LYS 61 1.636 -10.047 6.312 447 HA LYS 61 HA LYS 61 4.214 -11.534 6.606 448 1HB LYS 61 1HB LYS 61 3.254 -9.689 4.361 449 2HB LYS 61 2HB LYS 61 4.902 -10.234 4.565 450 1HG LYS 61 1HG LYS 61 4.519 -11.930 3.302 451 2HG LYS 61 2HG LYS 61 3.514 -12.645 4.561 452 1HD LYS 61 1HD LYS 61 1.498 -11.959 3.506 453 2HD LYS 61 2HD LYS 61 2.316 -10.726 2.511 454 1HE LYS 61 1HE LYS 61 3.494 -12.407 1.224 455 2HE LYS 61 2HE LYS 61 2.987 -13.674 2.330 456 1HZ LYS 61 1HZ LYS 61 1.737 -13.863 0.431 457 2HZ LYS 61 2HZ LYS 61 0.702 -13.371 1.556 458 3HZ LYS 61 3HZ LYS 61 1.206 -12.289 0.419 459 H GLY 62 H GLY 62 2.972 -9.767 8.613 460 1HA GLY 62 1HA GLY 62 3.525 -8.065 9.976 461 2HA GLY 62 2HA GLY 62 5.195 -8.418 9.489 462 H VAL 63 H VAL 63 2.680 -7.165 7.354 463 HA VAL 63 HA VAL 63 4.317 -4.945 6.528 464 HB VAL 63 HB VAL 63 1.509 -5.894 5.865 465 1HG1 VAL 63 1HG1 VAL 63 2.967 -3.579 4.538 466 2HG1 VAL 63 2HG1 VAL 63 1.412 -4.300 4.035 467 3HG1 VAL 63 3HG1 VAL 63 1.530 -3.423 5.554 468 1HG2 VAL 63 1HG2 VAL 63 2.532 -6.442 3.699 469 2HG2 VAL 63 2HG2 VAL 63 4.077 -5.728 4.214 470 3HG2 VAL 63 3HG2 VAL 63 3.471 -7.204 4.983 471 H GLU 64 H GLU 64 4.652 -3.620 8.303 472 HA GLU 64 HA GLU 64 2.460 -2.764 10.129 473 1HB GLU 64 1HB GLU 64 5.508 -2.572 9.842 474 2HB GLU 64 2HB GLU 64 4.727 -1.675 11.095 475 1HG GLU 64 1HG GLU 64 4.029 -4.615 10.958 476 2HG GLU 64 2HG GLU 64 5.696 -4.205 11.367 477 H TYR 65 H TYR 65 2.568 -1.674 7.225 478 HA TYR 65 HA TYR 65 2.673 1.151 7.481 479 1HB TYR 65 1HB TYR 65 5.172 -0.401 6.641 480 2HB TYR 65 2HB TYR 65 4.804 1.211 6.116 481 HD1 TYR 65 HD1 TYR 65 3.835 2.468 8.666 482 HD2 TYR 65 HD2 TYR 65 7.329 0.194 7.667 483 HE1 TYR 65 HE1 TYR 65 5.171 3.842 10.243 484 HE2 TYR 65 HE2 TYR 65 8.674 1.550 9.238 485 HH TYR 65 HH TYR 65 8.659 3.746 10.325 486 H LEU 66 H LEU 66 2.750 2.066 5.249 487 HA LEU 66 HA LEU 66 2.444 0.390 2.931 488 1HB LEU 66 1HB LEU 66 0.355 -0.276 3.836 489 2HB LEU 66 2HB LEU 66 0.028 1.329 4.468 490 HG LEU 66 HG LEU 66 -0.357 2.223 2.261 491 1HD1 LEU 66 1HD1 LEU 66 -0.870 0.639 0.334 492 2HD1 LEU 66 2HD1 LEU 66 0.820 0.831 0.659 493 3HD1 LEU 66 3HD1 LEU 66 -0.008 -0.633 1.231 494 1HD2 LEU 66 1HD2 LEU 66 -2.157 1.279 3.665 495 2HD2 LEU 66 2HD2 LEU 66 -2.547 1.230 1.948 496 3HD2 LEU 66 3HD2 LEU 66 -2.037 -0.257 2.793 497 H ILE 67 H ILE 67 2.481 1.728 1.057 498 HA ILE 67 HA ILE 67 2.406 4.690 1.458 499 HB ILE 67 HB ILE 67 4.005 2.873 -0.454 500 1HG1 ILE 67 1HG1 ILE 67 5.054 4.978 1.524 501 2HG1 ILE 67 2HG1 ILE 67 4.712 3.362 2.093 502 1HG2 ILE 67 1HG2 ILE 67 3.654 5.896 -0.387 503 2HG2 ILE 67 2HG2 ILE 67 5.143 5.178 -0.995 504 3HG2 ILE 67 3HG2 ILE 67 3.601 4.774 -1.779 505 1HD1 ILE 67 1HD1 ILE 67 6.761 3.976 -0.017 506 2HD1 ILE 67 2HD1 ILE 67 7.050 3.681 1.700 507 3HD1 ILE 67 3HD1 ILE 67 6.389 2.383 0.681 508 H ALA 68 H ALA 68 0.364 5.409 0.689 509 HA ALA 68 HA ALA 68 -0.617 4.310 -1.845 510 1HB ALA 68 1HB ALA 68 -1.300 2.637 -0.238 511 2HB ALA 68 2HB ALA 68 -2.039 3.864 0.818 512 3HB ALA 68 3HB ALA 68 -2.707 3.566 -0.803 513 H SER 69 H SER 69 -1.176 6.109 -2.775 514 HA SER 69 HA SER 69 -1.618 8.626 -1.677 515 1HB SER 69 1HB SER 69 -1.698 9.241 -3.729 516 2HB SER 69 2HB SER 69 -1.371 7.665 -4.231 517 HG SER 69 HG SER 69 -3.020 8.624 -5.383 518 H ASN 70 H ASN 70 -3.913 6.130 -1.896 519 HA ASN 70 HA ASN 70 -6.016 7.417 -0.477 520 1HB ASN 70 1HB ASN 70 -6.129 7.222 -3.454 521 2HB ASN 70 2HB ASN 70 -7.361 6.209 -2.679 522 1HD2 ASN 70 1HD2 ASN 70 -5.930 9.510 -1.943 523 2HD2 ASN 70 2HD2 ASN 70 -7.454 10.342 -1.971 524 H VAL 71 H VAL 71 -7.818 5.592 -0.474 525 HA VAL 71 HA VAL 71 -6.743 3.057 -1.452 526 HB VAL 71 HB VAL 71 -7.491 1.802 0.189 527 1HG1 VAL 71 1HG1 VAL 71 -6.587 4.136 1.929 528 2HG1 VAL 71 2HG1 VAL 71 -6.459 2.420 2.307 529 3HG1 VAL 71 3HG1 VAL 71 -5.434 3.146 1.033 530 1HG2 VAL 71 1HG2 VAL 71 -8.790 4.194 1.454 531 2HG2 VAL 71 2HG2 VAL 71 -9.671 2.839 0.687 532 3HG2 VAL 71 3HG2 VAL 71 -8.758 2.548 2.195 533 H GLY 72 H GLY 72 -8.695 1.597 -2.111 534 1HA GLY 72 1HA GLY 72 -10.235 3.367 -3.863 535 2HA GLY 72 2HA GLY 72 -10.082 1.621 -3.979 536 H ARG 73 H ARG 73 -10.830 1.761 -0.915 537 HA ARG 73 HA ARG 73 -12.812 2.824 0.139 538 1HB ARG 73 1HB ARG 73 -14.958 1.842 -0.210 539 2HB ARG 73 2HB ARG 73 -14.433 2.557 -1.705 540 1HG ARG 73 1HG ARG 73 -13.914 0.297 -2.608 541 2HG ARG 73 2HG ARG 73 -14.257 -0.419 -1.028 542 1HD ARG 73 1HD ARG 73 -16.191 -0.771 -2.412 543 2HD ARG 73 2HD ARG 73 -16.595 0.392 -1.148 544 HE ARG 73 HE ARG 73 -15.715 1.718 -3.559 545 1HH1 ARG 73 2HH2 ARG 73 -18.627 0.109 -2.151 546 2HH1 ARG 73 1HH2 ARG 73 -19.719 1.061 -3.042 547 1HH2 ARG 73 2HH1 ARG 73 -17.166 2.948 -4.699 548 2HH2 ARG 73 1HH1 ARG 73 -18.842 2.948 -4.237 549 H ASN 74 H ASN 74 -14.041 1.405 1.698 550 HA ASN 74 HA ASN 74 -13.779 0.087 3.569 551 1HB ASN 74 1HB ASN 74 -15.514 -0.672 1.900 552 2HB ASN 74 2HB ASN 74 -14.414 -1.969 1.451 553 1HD2 ASN 74 1HD2 ASN 74 -13.450 -3.067 3.862 554 2HD2 ASN 74 2HD2 ASN 74 -14.806 -3.488 4.843 555 H ALA 75 H ALA 75 -11.498 0.351 3.901 556 HA ALA 75 HA ALA 75 -10.109 -2.156 4.396 557 1HB ALA 75 1HB ALA 75 -8.176 -1.778 3.001 558 2HB ALA 75 2HB ALA 75 -9.557 -1.742 1.902 559 3HB ALA 75 3HB ALA 75 -8.796 -0.218 2.407 560 H PHE 76 H PHE 76 -10.314 1.370 4.576 561 HA PHE 76 HA PHE 76 -7.702 1.817 5.595 562 1HB PHE 76 1HB PHE 76 -8.761 3.626 4.775 563 2HB PHE 76 2HB PHE 76 -10.326 3.289 5.560 564 HD1 PHE 76 HD1 PHE 76 -6.921 4.466 6.319 565 HD2 PHE 76 HD2 PHE 76 -10.897 4.207 7.790 566 HE1 PHE 76 HE1 PHE 76 -6.427 6.361 7.731 567 HE2 PHE 76 HE2 PHE 76 -10.388 5.997 9.428 568 HZ PHE 76 HZ PHE 76 -8.206 7.143 9.399 569 H GLU 77 H GLU 77 -10.742 1.085 7.360 570 HA GLU 77 HA GLU 77 -9.519 1.535 9.909 571 1HB GLU 77 1HB GLU 77 -11.949 -0.091 9.046 572 2HB GLU 77 2HB GLU 77 -11.541 0.238 10.739 573 1HG GLU 77 1HG GLU 77 -11.895 2.591 10.485 574 2HG GLU 77 2HG GLU 77 -11.874 2.504 8.734 575 H THR 78 H THR 78 -9.780 -1.291 7.665 576 HA THR 78 HA THR 78 -8.877 -3.214 9.512 577 HB THR 78 HB THR 78 -8.636 -3.551 6.493 578 HG1 THR 78 HG1 THR 78 -10.956 -3.784 6.432 579 1HG2 THR 78 1HG2 THR 78 -9.951 -5.654 7.223 580 2HG2 THR 78 2HG2 THR 78 -8.237 -5.519 7.699 581 3HG2 THR 78 3HG2 THR 78 -9.515 -5.193 8.871 582 H LEU 79 H LEU 79 -7.304 -0.657 7.935 583 HA LEU 79 HA LEU 79 -4.668 -2.018 7.792 584 1HB LEU 79 1HB LEU 79 -5.553 0.837 7.237 585 2HB LEU 79 2HB LEU 79 -3.904 0.380 7.137 586 HG LEU 79 HG LEU 79 -6.015 -1.051 5.498 587 1HD1 LEU 79 1HD1 LEU 79 -5.705 0.281 3.623 588 2HD1 LEU 79 2HD1 LEU 79 -5.799 1.459 4.929 589 3HD1 LEU 79 3HD1 LEU 79 -4.237 1.023 4.236 590 1HD2 LEU 79 1HD2 LEU 79 -3.825 -2.187 5.897 591 2HD2 LEU 79 2HD2 LEU 79 -4.166 -1.861 4.206 592 3HD2 LEU 79 3HD2 LEU 79 -3.016 -0.836 5.101 593 H LYS 80 H LYS 80 -6.317 0.516 9.638 594 HA LYS 80 HA LYS 80 -4.224 0.895 11.568 595 1HB LYS 80 1HB LYS 80 -6.357 1.752 12.902 596 2HB LYS 80 2HB LYS 80 -5.375 2.655 11.746 597 1HG LYS 80 1HG LYS 80 -7.530 1.415 10.373 598 2HG LYS 80 2HG LYS 80 -8.036 2.462 11.676 599 1HD LYS 80 1HD LYS 80 -7.723 3.578 9.375 600 2HD LYS 80 2HD LYS 80 -6.957 4.349 10.755 601 1HE LYS 80 1HE LYS 80 -5.027 4.304 9.746 602 2HE LYS 80 2HE LYS 80 -4.978 2.546 9.858 603 1HZ LYS 80 1HZ LYS 80 -4.578 2.891 7.760 604 2HZ LYS 80 2HZ LYS 80 -6.216 2.578 7.739 605 3HZ LYS 80 3HZ LYS 80 -5.610 4.133 7.570 606 H ALA 81 H ALA 81 -6.982 -1.344 11.374 607 HA ALA 81 HA ALA 81 -6.910 -2.419 13.905 608 1HB ALA 81 1HB ALA 81 -7.839 -4.436 12.889 609 2HB ALA 81 2HB ALA 81 -8.527 -3.013 12.099 610 3HB ALA 81 3HB ALA 81 -7.247 -3.953 11.290 611 H ALA 82 H ALA 82 -4.537 -3.006 11.278 612 HA ALA 82 HA ALA 82 -3.009 -4.789 13.154 613 1HB ALA 82 1HB ALA 82 -3.698 -5.909 11.101 614 2HB ALA 82 2HB ALA 82 -3.120 -4.544 10.121 615 3HB ALA 82 3HB ALA 82 -1.952 -5.557 10.984 616 H GLY 83 H GLY 83 -3.083 -1.879 13.303 617 1HA GLY 83 1HA GLY 83 -1.860 -0.055 13.313 618 2HA GLY 83 2HA GLY 83 -0.496 -1.096 13.792 619 H VAL 84 H VAL 84 -2.130 -1.062 10.596 620 HA VAL 84 HA VAL 84 0.450 -0.715 9.359 621 HB VAL 84 HB VAL 84 -2.279 -0.928 8.033 622 1HG1 VAL 84 1HG1 VAL 84 -1.081 -1.791 6.110 623 2HG1 VAL 84 2HG1 VAL 84 -0.399 -0.214 6.536 624 3HG1 VAL 84 3HG1 VAL 84 0.457 -1.708 6.978 625 1HG2 VAL 84 1HG2 VAL 84 -0.415 -3.105 9.006 626 2HG2 VAL 84 2HG2 VAL 84 -2.036 -2.787 9.534 627 3HG2 VAL 84 3HG2 VAL 84 -1.787 -3.373 7.883 628 H LYS 85 H LYS 85 1.253 1.281 9.716 629 HA LYS 85 HA LYS 85 -0.483 3.531 9.450 630 1HB LYS 85 1HB LYS 85 1.145 3.830 11.064 631 2HB LYS 85 2HB LYS 85 2.455 3.266 10.040 632 1HG LYS 85 1HG LYS 85 2.358 5.329 8.683 633 2HG LYS 85 2HG LYS 85 0.942 5.886 9.608 634 1HD LYS 85 1HD LYS 85 2.242 6.011 11.631 635 2HD LYS 85 2HD LYS 85 3.630 5.234 10.836 636 1HE LYS 85 1HE LYS 85 4.317 7.105 9.746 637 2HE LYS 85 2HE LYS 85 2.689 7.789 9.624 638 1HZ LYS 85 1HZ LYS 85 2.809 8.671 11.669 639 2HZ LYS 85 2HZ LYS 85 3.899 7.593 12.282 640 3HZ LYS 85 3HZ LYS 85 4.384 8.785 11.250 641 H VAL 86 H VAL 86 -1.149 4.334 7.653 642 HA VAL 86 HA VAL 86 0.037 3.617 5.056 643 HB VAL 86 HB VAL 86 -2.461 5.115 5.810 644 1HG1 VAL 86 1HG1 VAL 86 -1.815 3.722 3.225 645 2HG1 VAL 86 2HG1 VAL 86 -3.440 4.289 3.732 646 3HG1 VAL 86 3HG1 VAL 86 -2.128 5.444 3.522 647 1HG2 VAL 86 1HG2 VAL 86 -2.743 3.066 6.940 648 2HG2 VAL 86 2HG2 VAL 86 -3.558 2.756 5.423 649 3HG2 VAL 86 3HG2 VAL 86 -1.908 2.118 5.705 650 H TYR 87 H TYR 87 1.186 5.048 3.880 651 HA TYR 87 HA TYR 87 1.201 7.930 4.507 652 1HB TYR 87 1HB TYR 87 3.070 5.955 3.195 653 2HB TYR 87 2HB TYR 87 3.165 7.599 2.704 654 HD1 TYR 87 HD1 TYR 87 4.381 9.109 3.950 655 HD2 TYR 87 HD2 TYR 87 3.208 5.463 5.942 656 HE1 TYR 87 HE1 TYR 87 5.739 9.756 5.812 657 HE2 TYR 87 HE2 TYR 87 4.628 6.065 7.833 658 HH TYR 87 HH TYR 87 6.562 9.073 7.968 659 H ARG 88 H ARG 88 1.228 9.358 2.646 660 HA ARG 88 HA ARG 88 -0.622 8.661 0.431 661 1HB ARG 88 1HB ARG 88 -0.655 10.938 1.597 662 2HB ARG 88 2HB ARG 88 0.998 11.167 1.111 663 1HG ARG 88 1HG ARG 88 0.320 12.254 -0.658 664 2HG ARG 88 2HG ARG 88 -0.355 10.778 -1.349 665 1HD ARG 88 1HD ARG 88 -2.536 11.270 -0.600 666 2HD ARG 88 2HD ARG 88 -1.945 12.479 0.563 667 HE ARG 88 HE ARG 88 -1.635 12.968 -2.350 668 1HH1 ARG 88 2HH2 ARG 88 -3.058 14.104 0.765 669 2HH1 ARG 88 1HH2 ARG 88 -3.674 15.517 0.015 670 1HH2 ARG 88 2HH1 ARG 88 -2.188 15.011 -3.068 671 2HH2 ARG 88 1HH1 ARG 88 -3.395 15.949 -2.264 672 H PHE 89 H PHE 89 0.320 8.955 -1.777 673 HA PHE 89 HA PHE 89 3.193 9.195 -2.162 674 1HB PHE 89 1HB PHE 89 3.291 6.986 -2.567 675 2HB PHE 89 2HB PHE 89 1.591 6.750 -2.684 676 HD1 PHE 89 HD1 PHE 89 4.680 7.479 -4.954 677 HD2 PHE 89 HD2 PHE 89 0.359 6.854 -4.642 678 HE1 PHE 89 HE1 PHE 89 4.496 7.134 -7.218 679 HE2 PHE 89 HE2 PHE 89 0.219 6.735 -7.105 680 HZ PHE 89 HZ PHE 89 2.319 6.866 -8.438 681 H GLU 90 H GLU 90 3.433 10.333 -4.407 682 HA GLU 90 HA GLU 90 0.777 11.042 -5.523 683 1HB GLU 90 1HB GLU 90 2.772 13.138 -4.596 684 2HB GLU 90 2HB GLU 90 1.271 13.412 -5.502 685 1HG GLU 90 1HG GLU 90 0.095 12.211 -3.509 686 2HG GLU 90 2HG GLU 90 1.588 12.572 -2.618 687 H GLY 91 H GLY 91 2.033 9.391 -6.859 688 1HA GLY 91 1HA GLY 91 2.350 9.200 -9.188 689 2HA GLY 91 2HA GLY 91 2.814 10.907 -9.277 690 H GLY 92 H GLY 92 4.088 7.990 -9.853 691 1HA GLY 92 1HA GLY 92 6.821 8.236 -9.670 692 2HA GLY 92 2HA GLY 92 6.273 7.927 -8.010 693 H THR 93 H THR 93 7.859 6.096 -9.612 694 HA THR 93 HA THR 93 6.082 3.821 -10.055 695 HB THR 93 HB THR 93 8.271 2.801 -10.685 696 HG1 THR 93 HG1 THR 93 9.957 4.595 -11.002 697 1HG2 THR 93 1HG2 THR 93 8.472 3.947 -12.810 698 2HG2 THR 93 2HG2 THR 93 6.760 3.939 -12.343 699 3HG2 THR 93 3HG2 THR 93 7.720 5.417 -12.154 700 H VAL 94 H VAL 94 6.865 1.691 -8.934 701 HA VAL 94 HA VAL 94 6.605 1.825 -6.256 702 HB VAL 94 HB VAL 94 8.216 -0.211 -7.783 703 1HG1 VAL 94 1HG1 VAL 94 7.720 -1.735 -5.978 704 2HG1 VAL 94 2HG1 VAL 94 8.624 -0.380 -5.324 705 3HG1 VAL 94 3HG1 VAL 94 6.868 -0.469 -5.062 706 1HG2 VAL 94 1HG2 VAL 94 5.285 -0.100 -7.032 707 2HG2 VAL 94 2HG2 VAL 94 5.955 -0.008 -8.670 708 3HG2 VAL 94 3HG2 VAL 94 6.125 -1.498 -7.762 709 H GLN 95 H GLN 95 9.881 2.114 -7.788 710 HA GLN 95 HA GLN 95 11.179 2.281 -5.323 711 1HB GLN 95 1HB GLN 95 12.096 2.113 -7.822 712 2HB GLN 95 2HB GLN 95 12.115 3.873 -7.716 713 1HG GLN 95 1HG GLN 95 13.521 3.612 -5.599 714 2HG GLN 95 2HG GLN 95 13.624 1.892 -5.956 715 1HE2 GLN 95 1HE2 GLN 95 15.275 4.715 -6.240 716 2HE2 GLN 95 2HE2 GLN 95 16.365 4.292 -7.547 717 H GLU 96 H GLU 96 9.338 4.788 -6.866 718 HA GLU 96 HA GLU 96 10.633 7.075 -5.639 719 1HB GLU 96 1HB GLU 96 8.025 6.545 -7.088 720 2HB GLU 96 2HB GLU 96 8.375 8.120 -6.421 721 1HG GLU 96 1HG GLU 96 9.993 6.728 -8.602 722 2HG GLU 96 2HG GLU 96 8.797 8.036 -8.773 723 H ALA 97 H ALA 97 7.619 5.099 -5.139 724 HA ALA 97 HA ALA 97 6.638 6.381 -2.901 725 1HB ALA 97 1HB ALA 97 6.780 3.521 -3.849 726 2HB ALA 97 2HB ALA 97 6.208 3.799 -2.225 727 3HB ALA 97 3HB ALA 97 5.373 4.565 -3.597 728 H ILE 98 H ILE 98 9.550 4.307 -3.054 729 HA ILE 98 HA ILE 98 9.750 4.199 -0.138 730 HB ILE 98 HB ILE 98 11.883 3.399 -2.194 731 1HG1 ILE 98 1HG1 ILE 98 10.105 2.499 -3.170 732 2HG1 ILE 98 2HG1 ILE 98 10.946 1.172 -2.385 733 1HG2 ILE 98 1HG2 ILE 98 12.440 1.626 -0.548 734 2HG2 ILE 98 2HG2 ILE 98 12.509 3.221 0.207 735 3HG2 ILE 98 3HG2 ILE 98 11.108 2.168 0.505 736 1HD1 ILE 98 1HD1 ILE 98 8.580 0.859 -2.217 737 2HD1 ILE 98 2HD1 ILE 98 9.216 1.169 -0.580 738 3HD1 ILE 98 3HD1 ILE 98 8.305 2.433 -1.453 739 H ASP 99 H ASP 99 11.537 5.522 -2.854 740 HA ASP 99 HA ASP 99 13.654 6.910 -1.519 741 1HB ASP 99 1HB ASP 99 12.377 6.990 -4.278 742 2HB ASP 99 2HB ASP 99 13.579 8.166 -3.836 743 H ALA 100 H ALA 100 10.301 7.552 -2.019 744 HA ALA 100 HA ALA 100 10.499 10.380 -1.198 745 1HB ALA 100 1HB ALA 100 8.049 8.637 -1.718 746 2HB ALA 100 2HB ALA 100 8.085 10.412 -1.452 747 3HB ALA 100 3HB ALA 100 8.808 9.709 -2.890 748 H PHE 101 H PHE 101 8.837 7.436 0.126 749 HA PHE 101 HA PHE 101 8.247 8.538 2.621 750 1HB PHE 101 1HB PHE 101 7.225 6.518 2.139 751 2HB PHE 101 2HB PHE 101 8.703 5.732 1.607 752 HD1 PHE 101 HD1 PHE 101 7.350 7.202 4.824 753 HD2 PHE 101 HD2 PHE 101 9.707 4.098 2.960 754 HE1 PHE 101 HE1 PHE 101 7.717 6.137 7.036 755 HE2 PHE 101 HE2 PHE 101 9.887 2.939 5.169 756 HZ PHE 101 HZ PHE 101 8.977 3.995 7.194 757 H SER 102 H SER 102 11.169 6.695 1.699 758 HA SER 102 HA SER 102 12.025 6.499 4.445 759 1HB SER 102 1HB SER 102 14.049 5.532 3.533 760 2HB SER 102 2HB SER 102 12.580 4.855 2.763 761 HG SER 102 HG SER 102 12.990 6.062 0.952 762 H GLU 103 H GLU 103 12.864 8.681 1.718 763 HA GLU 103 HA GLU 103 14.477 10.337 3.524 764 1HB GLU 103 1HB GLU 103 13.765 10.743 0.591 765 2HB GLU 103 2HB GLU 103 15.072 11.519 1.494 766 1HG GLU 103 1HG GLU 103 16.084 9.219 1.841 767 2HG GLU 103 2HG GLU 103 14.892 8.565 0.712 768 H GLY 104 H GLY 104 11.683 9.966 4.072 769 1HA GLY 104 1HA GLY 104 10.010 11.106 5.021 770 2HA GLY 104 2HA GLY 104 11.192 12.431 5.194 771 H ARG 105 H ARG 105 10.443 11.707 1.888 772 HA ARG 105 HA ARG 105 9.015 14.297 1.705 773 1HB ARG 105 1HB ARG 105 9.685 12.321 -0.512 774 2HB ARG 105 2HB ARG 105 9.214 13.998 -0.643 775 1HG ARG 105 1HG ARG 105 11.536 14.188 0.885 776 2HG ARG 105 2HG ARG 105 11.863 12.714 -0.026 777 1HD ARG 105 1HD ARG 105 12.766 14.495 -1.323 778 2HD ARG 105 2HD ARG 105 11.288 14.018 -2.149 779 HE ARG 105 HE ARG 105 10.319 16.042 -1.668 780 1HH1 ARG 105 2HH2 ARG 105 13.439 15.976 0.025 781 2HH1 ARG 105 1HH2 ARG 105 12.952 17.154 1.239 782 1HH2 ARG 105 2HH1 ARG 105 9.937 17.935 -0.419 783 2HH2 ARG 105 1HH1 ARG 105 11.191 18.538 0.636 784 H LEU 106 H LEU 106 7.491 12.025 3.010 785 HA LEU 106 HA LEU 106 5.267 12.225 1.095 786 1HB LEU 106 1HB LEU 106 6.181 9.760 2.634 787 2HB LEU 106 2HB LEU 106 4.552 9.877 2.029 788 HG LEU 106 HG LEU 106 7.099 9.796 0.449 789 1HD1 LEU 106 1HD1 LEU 106 6.536 7.647 -0.089 790 2HD1 LEU 106 2HD1 LEU 106 5.644 7.727 1.448 791 3HD1 LEU 106 3HD1 LEU 106 4.815 7.930 -0.087 792 1HD2 LEU 106 1HD2 LEU 106 5.700 11.281 -0.914 793 2HD2 LEU 106 2HD2 LEU 106 5.543 9.691 -1.622 794 3HD2 LEU 106 3HD2 LEU 106 4.259 10.334 -0.566 795 H GLU 107 H GLU 107 3.178 11.467 2.374 796 HA GLU 107 HA GLU 107 3.063 13.048 4.896 797 1HB GLU 107 1HB GLU 107 0.629 12.394 3.244 798 2HB GLU 107 2HB GLU 107 0.895 13.734 4.352 799 1HG GLU 107 1HG GLU 107 2.375 14.803 2.628 800 2HG GLU 107 2HG GLU 107 2.028 13.453 1.529 801 H GLU 108 H GLU 108 1.733 11.905 6.593 802 HA GLU 108 HA GLU 108 1.257 9.055 6.173 803 1HB GLU 108 1HB GLU 108 2.363 9.763 8.236 804 2HB GLU 108 2HB GLU 108 1.122 11.014 8.468 805 1HG GLU 108 1HG GLU 108 -0.573 9.230 8.537 806 2HG GLU 108 2HG GLU 108 0.721 8.009 8.596 807 H LEU 109 H LEU 109 -0.801 8.473 5.625 808 HA LEU 109 HA LEU 109 -2.765 10.667 5.182 809 1HB LEU 109 1HB LEU 109 -1.671 9.614 3.144 810 2HB LEU 109 2HB LEU 109 -2.507 8.121 3.634 811 HG LEU 109 HG LEU 109 -4.666 9.529 3.635 812 1HD1 LEU 109 1HD1 LEU 109 -2.938 11.397 2.006 813 2HD1 LEU 109 2HD1 LEU 109 -4.707 11.487 2.141 814 3HD1 LEU 109 3HD1 LEU 109 -3.672 11.775 3.546 815 1HD2 LEU 109 1HD2 LEU 109 -3.238 9.203 0.968 816 2HD2 LEU 109 2HD2 LEU 109 -3.904 7.853 1.862 817 3HD2 LEU 109 3HD2 LEU 109 -4.996 9.125 1.263 818 H THR 110 H THR 110 -3.115 9.945 7.599 819 HA THR 110 HA THR 110 -4.553 7.393 7.775 820 HB THR 110 HB THR 110 -3.906 7.784 10.200 821 HG1 THR 110 HG1 THR 110 -2.040 9.294 10.291 822 1HG2 THR 110 1HG2 THR 110 -2.725 6.282 8.626 823 2HG2 THR 110 2HG2 THR 110 -1.768 7.629 8.008 824 3HG2 THR 110 3HG2 THR 110 -1.565 7.092 9.685 825 H THR 111 H THR 111 -5.990 9.469 6.577 826 HA THR 111 HA THR 111 -8.463 9.606 7.781 827 HB THR 111 HB THR 111 -7.661 10.596 9.793 828 HG1 THR 111 HG1 THR 111 -8.857 12.612 8.269 829 1HG2 THR 111 1HG2 THR 111 -6.405 12.904 8.255 830 2HG2 THR 111 2HG2 THR 111 -6.507 12.704 10.011 831 3HG2 THR 111 3HG2 THR 111 -5.511 11.604 9.066 832 H PHE 112 H PHE 112 -8.124 9.372 5.279 833 HA PHE 112 HA PHE 112 -7.985 11.950 3.811 834 1HB PHE 112 1HB PHE 112 -8.330 10.492 1.817 835 2HB PHE 112 2HB PHE 112 -6.897 10.065 2.735 836 HD1 PHE 112 HD1 PHE 112 -6.835 8.045 4.124 837 HD2 PHE 112 HD2 PHE 112 -10.265 8.985 1.689 838 HE1 PHE 112 HE1 PHE 112 -7.708 5.814 4.526 839 HE2 PHE 112 HE2 PHE 112 -11.137 6.679 2.058 840 HZ PHE 112 HZ PHE 112 -9.911 5.100 3.490 841 H THR 113 H THR 113 -9.884 12.366 2.293 842 HA THR 113 HA THR 113 -12.435 11.906 3.774 843 HB THR 113 HB THR 113 -13.126 14.054 2.961 844 HG1 THR 113 HG1 THR 113 -12.221 14.382 1.044 845 1HG2 THR 113 1HG2 THR 113 -11.521 13.907 4.991 846 2HG2 THR 113 2HG2 THR 113 -10.254 14.488 3.905 847 3HG2 THR 113 3HG2 THR 113 -11.679 15.499 4.216 848 H ARG 114 H ARG 114 -14.444 11.942 2.336 849 HA ARG 114 HA ARG 114 -13.927 11.652 -0.483 850 1HB ARG 114 1HB ARG 114 -13.583 9.317 0.419 851 2HB ARG 114 2HB ARG 114 -15.244 9.315 0.992 852 1HG ARG 114 1HG ARG 114 -15.054 8.064 -1.077 853 2HG ARG 114 2HG ARG 114 -16.037 9.501 -1.380 854 1HD ARG 114 1HD ARG 114 -14.185 10.624 -2.468 855 2HD ARG 114 2HD ARG 114 -13.040 9.395 -1.912 856 HE ARG 114 HE ARG 114 -15.261 8.527 -3.640 857 1HH1 ARG 114 2HH2 ARG 114 -11.886 9.630 -3.684 858 2HH1 ARG 114 1HH2 ARG 114 -11.329 8.483 -4.851 859 1HH2 ARG 114 2HH1 ARG 114 -14.565 7.000 -5.204 860 2HH2 ARG 114 1HH1 ARG 114 -12.918 6.961 -5.796 861 H GLU 115 H GLU 115 -15.567 12.266 -1.688 862 HA GLU 115 HA GLU 115 -18.345 12.218 -0.862 863 1HB GLU 115 1HB GLU 115 -17.449 14.367 0.091 864 2HB GLU 115 2HB GLU 115 -16.822 14.804 -1.489 865 1HG GLU 115 1HG GLU 115 -18.878 16.002 -1.141 866 2HG GLU 115 2HG GLU 115 -19.206 14.768 -2.360 867 H GLY 116 H GLY 116 -18.386 10.655 -2.622 868 1HA GLY 116 1HA GLY 116 -18.815 11.107 -5.194 869 2HA GLY 116 2HA GLY 116 -17.073 11.346 -5.179 Start of MODEL 13 1 1H MET 1 H1 MET 1 13.223 -0.663 11.535 2 HA MET 1 HA MET 1 12.944 -3.165 9.996 3 1HB MET 1 1HB MET 1 12.503 -4.399 11.961 4 2HB MET 1 2HB MET 1 13.993 -3.503 12.256 5 1HG MET 1 1HG MET 1 12.636 -1.818 13.571 6 2HG MET 1 2HG MET 1 11.220 -2.833 13.334 7 1HE MET 1 1HE MET 1 12.781 -1.698 16.108 8 2HE MET 1 2HE MET 1 11.120 -2.338 16.039 9 3HE MET 1 3HE MET 1 12.294 -3.038 17.172 10 H ALA 2 H ALA 2 11.050 -3.483 9.149 11 HA ALA 2 HA ALA 2 8.613 -3.619 10.138 12 1HB ALA 2 1HB ALA 2 7.354 -1.651 9.221 13 2HB ALA 2 2HB ALA 2 8.417 -1.147 10.520 14 3HB ALA 2 3HB ALA 2 8.901 -0.871 8.821 15 H ARG 3 H ARG 3 6.976 -3.860 8.401 16 HA ARG 3 HA ARG 3 8.181 -3.971 5.694 17 1HB ARG 3 1HB ARG 3 6.388 -5.910 7.055 18 2HB ARG 3 2HB ARG 3 6.178 -5.618 5.317 19 1HG ARG 3 1HG ARG 3 8.236 -6.582 4.795 20 2HG ARG 3 2HG ARG 3 9.010 -5.818 6.171 21 1HD ARG 3 1HD ARG 3 9.309 -7.933 6.596 22 2HD ARG 3 2HD ARG 3 7.973 -7.490 7.676 23 HE ARG 3 HE ARG 3 6.431 -8.593 6.127 24 1HH1 ARG 3 2HH2 ARG 3 9.881 -9.633 6.051 25 2HH1 ARG 3 1HH2 ARG 3 9.465 -11.270 5.641 26 1HH2 ARG 3 2HH1 ARG 3 5.966 -10.627 5.553 27 2HH2 ARG 3 1HH1 ARG 3 7.180 -11.819 5.167 28 H VAL 4 H VAL 4 7.721 -2.315 4.627 29 HA VAL 4 HA VAL 4 5.140 -0.948 4.770 30 HB VAL 4 HB VAL 4 7.694 -0.150 4.441 31 1HG1 VAL 4 1HG1 VAL 4 7.087 -0.482 1.574 32 2HG1 VAL 4 2HG1 VAL 4 8.638 -0.125 2.420 33 3HG1 VAL 4 3HG1 VAL 4 7.922 -1.733 2.522 34 1HG2 VAL 4 1HG2 VAL 4 6.322 1.582 4.492 35 2HG2 VAL 4 2HG2 VAL 4 6.930 1.717 2.870 36 3HG2 VAL 4 3HG2 VAL 4 5.297 1.052 3.110 37 H ALA 5 H ALA 5 3.608 -1.002 2.930 38 HA ALA 5 HA ALA 5 4.357 -3.036 0.891 39 1HB ALA 5 1HB ALA 5 2.476 -3.937 2.212 40 2HB ALA 5 2HB ALA 5 1.550 -2.438 1.955 41 3HB ALA 5 3HB ALA 5 1.951 -3.498 0.579 42 H ILE 6 H ILE 6 4.001 -2.293 -1.224 43 HA ILE 6 HA ILE 6 2.971 0.475 -1.483 44 HB ILE 6 HB ILE 6 5.203 -0.665 -3.136 45 1HG1 ILE 6 1HG1 ILE 6 6.428 1.308 -1.879 46 2HG1 ILE 6 2HG1 ILE 6 5.302 0.919 -0.589 47 1HG2 ILE 6 1HG2 ILE 6 3.803 1.007 -4.262 48 2HG2 ILE 6 2HG2 ILE 6 4.093 2.142 -2.923 49 3HG2 ILE 6 3HG2 ILE 6 5.435 1.592 -3.957 50 1HD1 ILE 6 1HD1 ILE 6 7.072 -1.181 -1.931 51 2HD1 ILE 6 2HD1 ILE 6 7.567 -0.266 -0.507 52 3HD1 ILE 6 3HD1 ILE 6 6.179 -1.320 -0.391 53 HA PRO 7 HA PRO 7 0.178 -1.947 -4.138 54 1HB PRO 7 1HB PRO 7 -1.329 0.225 -4.891 55 2HB PRO 7 2HB PRO 7 -1.502 -0.572 -3.285 56 1HG PRO 7 1HG PRO 7 -0.186 2.005 -4.074 57 2HG PRO 7 2HG PRO 7 -1.023 1.607 -2.541 58 1HD PRO 7 1HD PRO 7 1.647 1.570 -3.004 59 2HD PRO 7 2HD PRO 7 0.835 0.751 -1.617 60 H SER 8 H SER 8 0.706 -2.495 -6.180 61 HA SER 8 HA SER 8 1.863 -0.521 -8.096 62 1HB SER 8 1HB SER 8 3.589 -1.903 -7.143 63 2HB SER 8 2HB SER 8 2.704 -3.382 -7.453 64 HG SER 8 HG SER 8 3.866 -3.333 -9.218 65 H VAL 9 H VAL 9 1.478 -1.600 -10.367 66 HA VAL 9 HA VAL 9 -0.867 -3.403 -10.670 67 HB VAL 9 HB VAL 9 -1.600 -1.931 -12.541 68 1HG1 VAL 9 1HG1 VAL 9 -1.282 -0.095 -10.150 69 2HG1 VAL 9 2HG1 VAL 9 -2.586 -0.144 -11.340 70 3HG1 VAL 9 3HG1 VAL 9 -2.429 -1.474 -10.177 71 1HG2 VAL 9 1HG2 VAL 9 -0.716 0.254 -13.017 72 2HG2 VAL 9 2HG2 VAL 9 0.444 0.163 -11.684 73 3HG2 VAL 9 3HG2 VAL 9 0.645 -0.872 -13.095 74 H GLY 10 H GLY 10 2.136 -3.781 -10.592 75 1HA GLY 10 1HA GLY 10 2.353 -5.643 -12.681 76 2HA GLY 10 2HA GLY 10 3.273 -4.175 -13.061 77 H LYS 11 H LYS 11 5.032 -6.061 -12.773 78 HA LYS 11 HA LYS 11 5.437 -6.752 -9.908 79 1HB LYS 11 1HB LYS 11 6.018 -9.024 -10.615 80 2HB LYS 11 2HB LYS 11 4.329 -8.556 -10.770 81 1HG LYS 11 1HG LYS 11 4.474 -8.400 -13.141 82 2HG LYS 11 2HG LYS 11 6.247 -8.600 -13.122 83 1HD LYS 11 1HD LYS 11 6.082 -10.850 -12.269 84 2HD LYS 11 2HD LYS 11 4.369 -10.658 -11.891 85 1HE LYS 11 1HE LYS 11 3.827 -10.560 -14.299 86 2HE LYS 11 2HE LYS 11 5.529 -10.832 -14.690 87 1HZ LYS 11 1HZ LYS 11 5.392 -12.951 -13.561 88 2HZ LYS 11 2HZ LYS 11 3.840 -12.670 -13.064 89 3HZ LYS 11 3HZ LYS 11 4.181 -12.874 -14.664 90 H ASP 12 H ASP 12 6.820 -4.653 -11.026 91 HA ASP 12 HA ASP 12 9.530 -5.655 -10.526 92 1HB ASP 12 1HB ASP 12 8.641 -4.364 -13.075 93 2HB ASP 12 2HB ASP 12 10.047 -3.661 -12.353 94 H LEU 13 H LEU 13 10.911 -3.885 -9.794 95 HA LEU 13 HA LEU 13 9.625 -2.231 -7.778 96 1HB LEU 13 1HB LEU 13 11.949 -3.533 -7.978 97 2HB LEU 13 2HB LEU 13 12.478 -2.047 -8.723 98 HG LEU 13 HG LEU 13 13.202 -2.189 -6.456 99 1HD1 LEU 13 1HD1 LEU 13 11.029 -0.080 -6.503 100 2HD1 LEU 13 2HD1 LEU 13 12.559 -0.050 -5.628 101 3HD1 LEU 13 3HD1 LEU 13 12.554 0.040 -7.407 102 1HD2 LEU 13 1HD2 LEU 13 11.767 -2.291 -4.530 103 2HD2 LEU 13 2HD2 LEU 13 10.318 -2.242 -5.534 104 3HD2 LEU 13 3HD2 LEU 13 11.393 -3.662 -5.575 105 H SER 14 H SER 14 10.589 -1.829 -11.123 106 HA SER 14 HA SER 14 9.938 1.072 -10.872 107 1HB SER 14 1HB SER 14 10.912 0.926 -13.261 108 2HB SER 14 2HB SER 14 11.958 1.049 -11.837 109 HG SER 14 HG SER 14 12.761 -0.396 -13.265 110 H SER 15 H SER 15 7.865 -0.917 -10.729 111 HA SER 15 HA SER 15 6.466 -0.228 -13.254 112 1HB SER 15 1HB SER 15 5.448 -1.951 -10.941 113 2HB SER 15 2HB SER 15 4.722 -1.871 -12.552 114 HG SER 15 HG SER 15 7.263 -2.840 -11.845 115 H MET 16 H MET 16 4.087 0.642 -12.789 116 HA MET 16 HA MET 16 4.356 3.153 -11.401 117 1HB MET 16 1HB MET 16 2.444 1.699 -13.199 118 2HB MET 16 2HB MET 16 1.653 2.785 -12.098 119 1HG MET 16 1HG MET 16 3.978 4.089 -13.331 120 2HG MET 16 2HG MET 16 2.871 3.426 -14.529 121 1HE MET 16 1HE MET 16 3.163 5.714 -11.373 122 2HE MET 16 2HE MET 16 1.545 6.428 -11.267 123 3HE MET 16 3HE MET 16 1.755 4.695 -10.955 124 H VAL 17 H VAL 17 3.632 3.768 -9.324 125 HA VAL 17 HA VAL 17 2.416 1.779 -7.597 126 HB VAL 17 HB VAL 17 3.020 4.738 -7.200 127 1HG1 VAL 17 1HG1 VAL 17 2.858 4.406 -4.811 128 2HG1 VAL 17 2HG1 VAL 17 1.263 4.132 -5.546 129 3HG1 VAL 17 3HG1 VAL 17 2.263 2.752 -5.025 130 1HG2 VAL 17 1HG2 VAL 17 4.906 3.353 -7.502 131 2HG2 VAL 17 2HG2 VAL 17 4.861 3.870 -5.831 132 3HG2 VAL 17 3HG2 VAL 17 4.370 2.203 -6.265 133 H SER 18 H SER 18 0.278 1.717 -6.893 134 HA SER 18 HA SER 18 -1.653 2.750 -8.902 135 1HB SER 18 1HB SER 18 -1.517 0.296 -8.016 136 2HB SER 18 2HB SER 18 -2.281 0.922 -6.575 137 HG SER 18 HG SER 18 -3.922 0.237 -7.924 138 H ASP 19 H ASP 19 -3.208 4.269 -8.492 139 HA ASP 19 HA ASP 19 -2.713 5.955 -6.239 140 1HB ASP 19 1HB ASP 19 -4.084 6.085 -8.844 141 2HB ASP 19 2HB ASP 19 -5.005 6.942 -7.656 142 H ARG 20 H ARG 20 -3.705 3.478 -5.297 143 HA ARG 20 HA ARG 20 -6.224 3.970 -3.931 144 1HB ARG 20 1HB ARG 20 -7.263 2.087 -5.536 145 2HB ARG 20 2HB ARG 20 -7.511 3.810 -5.800 146 1HG ARG 20 1HG ARG 20 -5.604 3.585 -7.592 147 2HG ARG 20 2HG ARG 20 -5.727 1.859 -7.284 148 1HD ARG 20 1HD ARG 20 -7.108 2.079 -9.102 149 2HD ARG 20 2HD ARG 20 -8.287 2.273 -7.786 150 HE ARG 20 HE ARG 20 -7.270 4.827 -8.573 151 1HH1 ARG 20 2HH2 ARG 20 -9.542 2.287 -9.637 152 2HH1 ARG 20 1HH2 ARG 20 -10.418 3.373 -10.664 153 1HH2 ARG 20 2HH1 ARG 20 -8.410 6.162 -9.920 154 2HH2 ARG 20 1HH1 ARG 20 -9.871 5.661 -10.730 155 H PHE 21 H PHE 21 -5.226 2.823 -2.076 156 HA PHE 21 HA PHE 21 -3.671 0.588 -2.278 157 1HB PHE 21 1HB PHE 21 -3.973 1.847 -0.218 158 2HB PHE 21 2HB PHE 21 -5.684 1.505 -0.229 159 HD1 PHE 21 HD1 PHE 21 -6.466 -0.124 1.283 160 HD2 PHE 21 HD2 PHE 21 -2.502 -0.460 -0.376 161 HE1 PHE 21 HE1 PHE 21 -6.071 -2.178 2.604 162 HE2 PHE 21 HE2 PHE 21 -2.159 -2.577 0.871 163 HZ PHE 21 HZ PHE 21 -3.943 -3.440 2.375 164 H ALA 22 H ALA 22 -7.291 0.581 -2.053 165 HA ALA 22 HA ALA 22 -7.208 -2.373 -1.912 166 1HB ALA 22 1HB ALA 22 -9.596 -0.533 -1.558 167 2HB ALA 22 2HB ALA 22 -9.474 -2.255 -1.168 168 3HB ALA 22 3HB ALA 22 -8.518 -1.077 -0.255 169 H ARG 23 H ARG 23 -6.817 -0.489 -4.402 170 HA ARG 23 HA ARG 23 -8.310 -2.184 -6.267 171 1HB ARG 23 1HB ARG 23 -8.728 0.658 -5.926 172 2HB ARG 23 2HB ARG 23 -7.936 0.309 -7.467 173 1HG ARG 23 1HG ARG 23 -10.532 -0.776 -6.381 174 2HG ARG 23 2HG ARG 23 -10.317 0.393 -7.675 175 1HD ARG 23 1HD ARG 23 -9.799 -2.565 -7.836 176 2HD ARG 23 2HD ARG 23 -10.809 -1.555 -8.865 177 HE ARG 23 HE ARG 23 -8.020 -2.173 -9.200 178 1HH1 ARG 23 2HH2 ARG 23 -10.530 0.033 -10.415 179 2HH1 ARG 23 1HH2 ARG 23 -9.404 0.842 -11.450 180 1HH2 ARG 23 2HH1 ARG 23 -6.971 -1.602 -10.975 181 2HH2 ARG 23 1HH1 ARG 23 -7.621 -0.482 -12.122 182 H ALA 24 H ALA 24 -5.792 -2.677 -5.211 183 HA ALA 24 HA ALA 24 -4.017 -1.615 -7.268 184 1HB ALA 24 1HB ALA 24 -3.206 -2.083 -4.352 185 2HB ALA 24 2HB ALA 24 -2.102 -1.712 -5.672 186 3HB ALA 24 3HB ALA 24 -3.316 -0.515 -5.152 187 H GLU 25 H GLU 25 -2.693 -3.339 -8.089 188 HA GLU 25 HA GLU 25 -3.960 -5.888 -7.458 189 1HB GLU 25 1HB GLU 25 -2.618 -4.624 -9.829 190 2HB GLU 25 2HB GLU 25 -2.424 -6.389 -9.666 191 1HG GLU 25 1HG GLU 25 -4.759 -6.706 -9.383 192 2HG GLU 25 2HG GLU 25 -5.097 -5.003 -9.332 193 H TYR 26 H TYR 26 -0.680 -4.775 -8.101 194 HA TYR 26 HA TYR 26 0.276 -7.228 -6.759 195 1HB TYR 26 1HB TYR 26 1.685 -5.119 -8.484 196 2HB TYR 26 2HB TYR 26 2.530 -6.469 -7.724 197 HD1 TYR 26 HD1 TYR 26 -0.002 -5.506 -10.279 198 HD2 TYR 26 HD2 TYR 26 2.448 -8.701 -8.746 199 HE1 TYR 26 HE1 TYR 26 -0.385 -6.746 -12.342 200 HE2 TYR 26 HE2 TYR 26 2.019 -10.006 -10.811 201 HH TYR 26 HH TYR 26 -0.303 -8.943 -13.255 202 H PHE 27 H PHE 27 1.936 -6.911 -5.114 203 HA PHE 27 HA PHE 27 2.014 -4.182 -3.947 204 1HB PHE 27 1HB PHE 27 1.180 -6.691 -2.504 205 2HB PHE 27 2HB PHE 27 1.934 -5.344 -1.657 206 HD1 PHE 27 HD1 PHE 27 -1.001 -6.421 -3.641 207 HD2 PHE 27 HD2 PHE 27 0.809 -3.199 -1.416 208 HE1 PHE 27 HE1 PHE 27 -3.171 -5.295 -3.555 209 HE2 PHE 27 HE2 PHE 27 -1.369 -2.054 -1.311 210 HZ PHE 27 HZ PHE 27 -3.390 -3.142 -2.277 211 H ILE 28 H ILE 28 4.021 -3.650 -3.631 212 HA ILE 28 HA ILE 28 6.148 -5.755 -3.544 213 HB ILE 28 HB ILE 28 6.348 -2.759 -3.950 214 1HG1 ILE 28 1HG1 ILE 28 5.280 -3.380 -5.915 215 2HG1 ILE 28 2HG1 ILE 28 6.977 -3.501 -6.351 216 1HG2 ILE 28 1HG2 ILE 28 8.328 -5.082 -4.258 217 2HG2 ILE 28 2HG2 ILE 28 8.675 -3.404 -4.659 218 3HG2 ILE 28 3HG2 ILE 28 8.350 -3.827 -2.990 219 1HD1 ILE 28 1HD1 ILE 28 6.030 -5.367 -7.339 220 2HD1 ILE 28 2HD1 ILE 28 6.761 -6.011 -5.846 221 3HD1 ILE 28 3HD1 ILE 28 5.005 -5.743 -5.955 222 H ILE 29 H ILE 29 6.496 -6.459 -1.540 223 HA ILE 29 HA ILE 29 6.075 -4.613 0.766 224 HB ILE 29 HB ILE 29 6.208 -7.650 0.651 225 1HG1 ILE 29 1HG1 ILE 29 4.138 -5.707 1.772 226 2HG1 ILE 29 2HG1 ILE 29 4.062 -6.415 0.168 227 1HG2 ILE 29 1HG2 ILE 29 6.058 -7.585 3.177 228 2HG2 ILE 29 2HG2 ILE 29 7.575 -6.953 2.575 229 3HG2 ILE 29 3HG2 ILE 29 6.306 -5.829 3.097 230 1HD1 ILE 29 1HD1 ILE 29 2.619 -7.612 1.765 231 2HD1 ILE 29 2HD1 ILE 29 3.877 -8.677 1.099 232 3HD1 ILE 29 3HD1 ILE 29 3.999 -8.030 2.753 233 H TYR 30 H TYR 30 7.859 -3.612 1.294 234 HA TYR 30 HA TYR 30 10.540 -4.796 0.730 235 1HB TYR 30 1HB TYR 30 9.910 -2.408 0.030 236 2HB TYR 30 2HB TYR 30 9.776 -2.014 1.732 237 HD1 TYR 30 HD1 TYR 30 11.690 -1.272 2.922 238 HD2 TYR 30 HD2 TYR 30 12.119 -3.289 -0.849 239 HE1 TYR 30 HE1 TYR 30 14.149 -0.842 2.962 240 HE2 TYR 30 HE2 TYR 30 14.537 -2.786 -0.870 241 HH TYR 30 HH TYR 30 16.261 -1.670 0.190 242 H ASP 31 H ASP 31 11.907 -5.179 2.482 243 HA ASP 31 HA ASP 31 10.785 -5.172 5.239 244 1HB ASP 31 1HB ASP 31 11.259 -7.309 3.860 245 2HB ASP 31 2HB ASP 31 12.959 -6.950 4.073 246 H THR 32 H THR 32 11.715 -3.461 6.532 247 HA THR 32 HA THR 32 14.404 -2.564 5.729 248 HB THR 32 HB THR 32 14.062 -0.754 7.358 249 HG1 THR 32 HG1 THR 32 11.881 -0.466 8.087 250 1HG2 THR 32 1HG2 THR 32 11.794 -0.991 5.326 251 2HG2 THR 32 2HG2 THR 32 12.383 0.483 6.092 252 3HG2 THR 32 3HG2 THR 32 13.440 -0.420 5.012 253 H GLU 33 H GLU 33 14.296 -5.165 6.676 254 HA GLU 33 HA GLU 33 16.297 -4.917 8.901 255 1HB GLU 33 1HB GLU 33 14.422 -7.223 8.201 256 2HB GLU 33 2HB GLU 33 16.002 -7.536 8.856 257 1HG GLU 33 1HG GLU 33 15.519 -6.253 10.879 258 2HG GLU 33 2HG GLU 33 13.890 -5.889 10.297 259 H SER 34 H SER 34 15.647 -7.009 6.126 260 HA SER 34 HA SER 34 18.465 -6.309 5.648 261 1HB SER 34 1HB SER 34 17.106 -9.034 5.353 262 2HB SER 34 2HB SER 34 18.752 -8.699 4.778 263 HG SER 34 HG SER 34 17.793 -9.162 7.322 264 H GLY 35 H GLY 35 16.067 -5.040 4.518 265 1HA GLY 35 1HA GLY 35 15.665 -3.897 2.632 266 2HA GLY 35 2HA GLY 35 17.218 -4.473 2.002 267 H ASN 36 H ASN 36 14.937 -6.868 2.943 268 HA ASN 36 HA ASN 36 15.022 -8.061 0.308 269 1HB ASN 36 1HB ASN 36 13.988 -8.793 3.009 270 2HB ASN 36 2HB ASN 36 13.006 -9.386 1.705 271 1HD2 ASN 36 1HD2 ASN 36 16.667 -9.151 2.210 272 2HD2 ASN 36 2HD2 ASN 36 16.852 -10.852 1.814 273 H VAL 37 H VAL 37 13.092 -8.715 -0.836 274 HA VAL 37 HA VAL 37 10.780 -7.015 -0.470 275 HB VAL 37 HB VAL 37 11.631 -6.956 -3.316 276 1HG1 VAL 37 1HG1 VAL 37 10.455 -4.918 -1.388 277 2HG1 VAL 37 2HG1 VAL 37 10.601 -4.716 -3.146 278 3HG1 VAL 37 3HG1 VAL 37 9.516 -5.960 -2.489 279 1HG2 VAL 37 1HG2 VAL 37 12.913 -4.857 -3.056 280 2HG2 VAL 37 2HG2 VAL 37 13.073 -5.190 -1.321 281 3HG2 VAL 37 3HG2 VAL 37 13.780 -6.302 -2.503 282 H GLU 38 H GLU 38 8.868 -7.766 -1.453 283 HA GLU 38 HA GLU 38 8.955 -10.426 -2.792 284 1HB GLU 38 1HB GLU 38 8.371 -10.884 -0.501 285 2HB GLU 38 2HB GLU 38 7.434 -9.404 -0.368 286 1HG GLU 38 1HG GLU 38 5.862 -11.100 -0.389 287 2HG GLU 38 2HG GLU 38 5.732 -10.383 -1.970 288 H VAL 39 H VAL 39 7.382 -10.556 -4.425 289 HA VAL 39 HA VAL 39 5.706 -8.163 -4.961 290 HB VAL 39 HB VAL 39 6.356 -10.427 -6.888 291 1HG1 VAL 39 1HG1 VAL 39 4.139 -9.433 -7.252 292 2HG1 VAL 39 2HG1 VAL 39 4.832 -7.805 -7.292 293 3HG1 VAL 39 3HG1 VAL 39 5.227 -8.993 -8.550 294 1HG2 VAL 39 1HG2 VAL 39 8.362 -8.989 -6.596 295 2HG2 VAL 39 2HG2 VAL 39 7.684 -8.958 -8.229 296 3HG2 VAL 39 3HG2 VAL 39 7.415 -7.598 -7.139 297 H VAL 40 H VAL 40 3.885 -8.547 -3.908 298 HA VAL 40 HA VAL 40 2.555 -11.182 -3.870 299 HB VAL 40 HB VAL 40 2.205 -8.502 -2.577 300 1HG1 VAL 40 1HG1 VAL 40 -0.111 -8.970 -1.884 301 2HG1 VAL 40 2HG1 VAL 40 0.010 -8.663 -3.619 302 3HG1 VAL 40 3HG1 VAL 40 -0.176 -10.337 -3.026 303 1HG2 VAL 40 1HG2 VAL 40 1.824 -9.784 -0.589 304 2HG2 VAL 40 2HG2 VAL 40 1.633 -11.279 -1.529 305 3HG2 VAL 40 3HG2 VAL 40 3.220 -10.470 -1.430 306 H GLU 41 H GLU 41 0.859 -11.541 -5.220 307 HA GLU 41 HA GLU 41 0.144 -9.632 -7.374 308 1HB GLU 41 1HB GLU 41 1.407 -11.663 -8.119 309 2HB GLU 41 2HB GLU 41 0.229 -12.683 -7.272 310 1HG GLU 41 1HG GLU 41 -1.544 -11.625 -8.801 311 2HG GLU 41 2HG GLU 41 -0.167 -11.023 -9.754 312 H ASN 42 H ASN 42 -1.802 -8.771 -6.599 313 HA ASN 42 HA ASN 42 -3.667 -10.536 -5.102 314 1HB ASN 42 1HB ASN 42 -2.278 -8.268 -4.134 315 2HB ASN 42 2HB ASN 42 -3.849 -7.645 -4.512 316 1HD2 ASN 42 1HD2 ASN 42 -2.014 -8.874 -2.025 317 2HD2 ASN 42 2HD2 ASN 42 -3.227 -9.718 -1.088 318 H THR 43 H THR 43 -5.217 -10.999 -6.658 319 HA THR 43 HA THR 43 -5.348 -9.200 -8.974 320 HB THR 43 HB THR 43 -6.896 -10.954 -9.839 321 HG1 THR 43 HG1 THR 43 -7.569 -11.641 -7.674 322 1HG2 THR 43 1HG2 THR 43 -4.230 -11.978 -8.688 323 2HG2 THR 43 2HG2 THR 43 -5.150 -12.700 -10.024 324 3HG2 THR 43 3HG2 THR 43 -4.439 -11.086 -10.200 325 H ILE 44 H ILE 44 -6.001 -7.332 -7.543 326 HA ILE 44 HA ILE 44 -8.787 -7.441 -6.607 327 HB ILE 44 HB ILE 44 -6.906 -5.187 -5.953 328 1HG1 ILE 44 1HG1 ILE 44 -5.548 -7.048 -5.516 329 2HG1 ILE 44 2HG1 ILE 44 -6.118 -6.455 -3.999 330 1HG2 ILE 44 1HG2 ILE 44 -9.075 -6.640 -4.384 331 2HG2 ILE 44 2HG2 ILE 44 -8.013 -5.394 -3.742 332 3HG2 ILE 44 3HG2 ILE 44 -9.164 -4.985 -5.048 333 1HD1 ILE 44 1HD1 ILE 44 -7.068 -8.421 -3.455 334 2HD1 ILE 44 2HD1 ILE 44 -7.901 -8.590 -5.006 335 3HD1 ILE 44 3HD1 ILE 44 -6.239 -9.116 -4.855 336 H ALA 45 H ALA 45 -10.212 -6.800 -7.774 337 HA ALA 45 HA ALA 45 -9.911 -4.532 -9.701 338 1HB ALA 45 1HB ALA 45 -10.258 -6.694 -10.831 339 2HB ALA 45 2HB ALA 45 -11.722 -6.984 -9.859 340 3HB ALA 45 3HB ALA 45 -11.681 -5.651 -11.024 341 H ASP 46 H ASP 46 -11.963 -3.405 -10.101 342 HA ASP 46 HA ASP 46 -13.469 -2.816 -7.631 343 1HB ASP 46 1HB ASP 46 -14.704 -1.148 -9.230 344 2HB ASP 46 2HB ASP 46 -13.138 -0.822 -8.533 345 H ALA 47 H ALA 47 -14.019 -5.000 -7.634 346 HA ALA 47 HA ALA 47 -16.852 -5.230 -8.471 347 1HB ALA 47 1HB ALA 47 -15.548 -7.296 -9.041 348 2HB ALA 47 2HB ALA 47 -14.934 -7.370 -7.375 349 3HB ALA 47 3HB ALA 47 -16.663 -7.604 -7.688 350 H HIS 48 H HIS 48 -18.233 -5.079 -6.557 351 HA HIS 48 HA HIS 48 -16.934 -4.272 -4.036 352 1HB HIS 48 1HB HIS 48 -19.053 -3.822 -3.212 353 2HB HIS 48 2HB HIS 48 -19.188 -3.342 -4.898 354 HD1 HIS 48 HD1 HIS 48 -20.890 -4.965 -6.421 355 HD2 HIS 48 HD2 HIS 48 -20.379 -5.922 -2.332 356 HE1 HIS 48 HE1 HIS 48 -22.498 -6.883 -5.886 357 H GLY 49 H GLY 49 -17.387 -5.619 -1.997 358 1HA GLY 49 1HA GLY 49 -18.168 -8.396 -2.261 359 2HA GLY 49 2HA GLY 49 -16.417 -8.143 -2.112 360 H THR 50 H THR 50 -16.795 -9.390 -0.059 361 HA THR 50 HA THR 50 -17.034 -7.480 2.164 362 HB THR 50 HB THR 50 -19.022 -8.637 2.584 363 HG1 THR 50 HG1 THR 50 -18.275 -9.065 4.488 364 1HG2 THR 50 1HG2 THR 50 -19.326 -11.087 2.452 365 2HG2 THR 50 2HG2 THR 50 -19.011 -10.371 0.870 366 3HG2 THR 50 3HG2 THR 50 -17.705 -11.240 1.722 367 H GLY 51 H GLY 51 -15.585 -8.015 3.889 368 1HA GLY 51 1HA GLY 51 -13.737 -8.854 4.887 369 2HA GLY 51 2HA GLY 51 -13.667 -10.169 3.699 370 HA PRO 52 HA PRO 52 -10.662 -6.599 2.738 371 1HB PRO 52 1HB PRO 52 -8.346 -7.312 3.923 372 2HB PRO 52 2HB PRO 52 -9.624 -6.372 4.762 373 1HG PRO 52 1HG PRO 52 -8.922 -9.278 4.950 374 2HG PRO 52 2HG PRO 52 -9.451 -8.203 6.268 375 1HD PRO 52 1HD PRO 52 -11.197 -9.943 5.014 376 2HD PRO 52 2HD PRO 52 -11.696 -8.395 5.750 377 H LYS 53 H LYS 53 -9.684 -10.068 2.855 378 HA LYS 53 HA LYS 53 -8.357 -11.308 1.500 379 1HB LYS 53 1HB LYS 53 -9.833 -11.328 -0.199 380 2HB LYS 53 2HB LYS 53 -9.877 -9.592 -0.338 381 1HG LYS 53 1HG LYS 53 -7.615 -9.738 -1.574 382 2HG LYS 53 2HG LYS 53 -7.890 -11.481 -1.593 383 1HD LYS 53 1HD LYS 53 -8.696 -10.475 -3.650 384 2HD LYS 53 2HD LYS 53 -10.066 -11.076 -2.722 385 1HE LYS 53 1HE LYS 53 -10.209 -8.560 -1.795 386 2HE LYS 53 2HE LYS 53 -9.153 -8.194 -3.151 387 1HZ LYS 53 1HZ LYS 53 -11.821 -9.447 -3.253 388 2HZ LYS 53 2HZ LYS 53 -11.476 -7.916 -3.712 389 3HZ LYS 53 3HZ LYS 53 -10.928 -9.179 -4.603 390 H VAL 54 H VAL 54 -7.760 -8.034 0.177 391 HA VAL 54 HA VAL 54 -4.975 -8.533 -0.201 392 HB VAL 54 HB VAL 54 -6.365 -6.991 -1.546 393 1HG1 VAL 54 1HG1 VAL 54 -6.987 -4.785 -0.943 394 2HG1 VAL 54 2HG1 VAL 54 -7.748 -5.882 0.198 395 3HG1 VAL 54 3HG1 VAL 54 -6.313 -4.946 0.683 396 1HG2 VAL 54 1HG2 VAL 54 -3.888 -6.732 -1.469 397 2HG2 VAL 54 2HG2 VAL 54 -4.742 -5.226 -1.813 398 3HG2 VAL 54 3HG2 VAL 54 -4.079 -5.507 -0.196 399 H VAL 55 H VAL 55 -6.786 -6.686 2.293 400 HA VAL 55 HA VAL 55 -4.389 -6.043 3.778 401 HB VAL 55 HB VAL 55 -7.034 -6.131 5.199 402 1HG1 VAL 55 1HG1 VAL 55 -4.768 -4.122 4.935 403 2HG1 VAL 55 2HG1 VAL 55 -6.195 -3.916 5.971 404 3HG1 VAL 55 3HG1 VAL 55 -5.060 -5.231 6.294 405 1HG2 VAL 55 1HG2 VAL 55 -7.831 -5.283 3.019 406 2HG2 VAL 55 2HG2 VAL 55 -7.660 -3.912 4.125 407 3HG2 VAL 55 3HG2 VAL 55 -6.422 -4.255 2.882 408 H GLN 56 H GLN 56 -6.881 -8.570 4.468 409 HA GLN 56 HA GLN 56 -5.662 -9.889 6.357 410 1HB GLN 56 1HB GLN 56 -7.379 -10.809 4.162 411 2HB GLN 56 2HB GLN 56 -6.437 -12.087 4.897 412 1HG GLN 56 1HG GLN 56 -7.987 -10.184 6.665 413 2HG GLN 56 2HG GLN 56 -8.766 -11.560 5.882 414 1HE2 GLN 56 1HE2 GLN 56 -9.102 -13.039 7.457 415 2HE2 GLN 56 2HE2 GLN 56 -7.869 -13.655 8.543 416 H SER 57 H SER 57 -4.725 -10.298 2.895 417 HA SER 57 HA SER 57 -2.615 -12.188 3.397 418 1HB SER 57 1HB SER 57 -1.755 -11.049 1.098 419 2HB SER 57 2HB SER 57 -3.041 -12.286 1.119 420 HG SER 57 HG SER 57 -4.546 -10.532 1.069 421 H LEU 58 H LEU 58 -2.270 -8.778 2.512 422 HA LEU 58 HA LEU 58 0.492 -8.633 2.843 423 1HB LEU 58 1HB LEU 58 -1.579 -6.484 3.403 424 2HB LEU 58 2HB LEU 58 0.136 -6.208 3.133 425 HG LEU 58 HG LEU 58 -1.664 -7.457 1.024 426 1HD1 LEU 58 1HD1 LEU 58 -1.739 -5.249 -0.032 427 2HD1 LEU 58 2HD1 LEU 58 -2.461 -5.185 1.575 428 3HD1 LEU 58 3HD1 LEU 58 -0.819 -4.547 1.320 429 1HD2 LEU 58 1HD2 LEU 58 0.031 -6.888 -0.534 430 2HD2 LEU 58 2HD2 LEU 58 1.068 -6.204 0.745 431 3HD2 LEU 58 3HD2 LEU 58 0.686 -7.951 0.697 432 H VAL 59 H VAL 59 -2.025 -8.185 5.325 433 HA VAL 59 HA VAL 59 -0.329 -7.529 7.523 434 HB VAL 59 HB VAL 59 -3.152 -8.513 7.034 435 1HG1 VAL 59 1HG1 VAL 59 -1.991 -7.909 9.790 436 2HG1 VAL 59 2HG1 VAL 59 -3.721 -8.060 9.411 437 3HG1 VAL 59 3HG1 VAL 59 -2.653 -9.461 9.240 438 1HG2 VAL 59 1HG2 VAL 59 -2.556 -6.151 6.498 439 2HG2 VAL 59 2HG2 VAL 59 -3.658 -6.202 7.880 440 3HG2 VAL 59 3HG2 VAL 59 -1.925 -5.932 8.142 441 H SER 60 H SER 60 -1.523 -10.666 6.220 442 HA SER 60 HA SER 60 -0.343 -12.223 8.369 443 1HB SER 60 1HB SER 60 -1.147 -13.087 5.568 444 2HB SER 60 2HB SER 60 -0.756 -14.134 6.943 445 HG SER 60 HG SER 60 -2.940 -12.341 6.676 446 H LYS 61 H LYS 61 1.082 -10.301 5.927 447 HA LYS 61 HA LYS 61 3.573 -11.879 6.258 448 1HB LYS 61 1HB LYS 61 3.502 -10.051 3.958 449 2HB LYS 61 2HB LYS 61 4.177 -11.677 4.118 450 1HG LYS 61 1HG LYS 61 1.487 -12.239 4.044 451 2HG LYS 61 2HG LYS 61 1.521 -10.682 3.224 452 1HD LYS 61 1HD LYS 61 2.535 -13.376 2.467 453 2HD LYS 61 2HD LYS 61 1.433 -12.287 1.614 454 1HE LYS 61 1HE LYS 61 3.317 -10.903 0.866 455 2HE LYS 61 2HE LYS 61 4.433 -11.761 1.944 456 1HZ LYS 61 1HZ LYS 61 4.091 -13.758 0.675 457 2HZ LYS 61 2HZ LYS 61 3.079 -13.014 -0.382 458 3HZ LYS 61 3HZ LYS 61 4.686 -12.621 -0.277 459 H GLY 62 H GLY 62 2.388 -9.964 8.102 460 1HA GLY 62 1HA GLY 62 3.279 -8.694 9.671 461 2HA GLY 62 2HA GLY 62 4.869 -9.019 8.911 462 H VAL 63 H VAL 63 2.424 -7.272 7.117 463 HA VAL 63 HA VAL 63 4.192 -5.036 6.733 464 HB VAL 63 HB VAL 63 1.357 -5.718 5.901 465 1HG1 VAL 63 1HG1 VAL 63 1.468 -3.844 4.318 466 2HG1 VAL 63 2HG1 VAL 63 1.431 -3.291 5.997 467 3HG1 VAL 63 3HG1 VAL 63 2.961 -3.262 5.086 468 1HG2 VAL 63 1HG2 VAL 63 3.970 -5.411 4.325 469 2HG2 VAL 63 2HG2 VAL 63 3.304 -6.961 4.862 470 3HG2 VAL 63 3HG2 VAL 63 2.411 -5.983 3.700 471 H GLU 64 H GLU 64 4.423 -3.292 7.955 472 HA GLU 64 HA GLU 64 2.438 -2.544 10.098 473 1HB GLU 64 1HB GLU 64 5.468 -2.881 9.948 474 2HB GLU 64 2HB GLU 64 4.816 -1.753 11.098 475 1HG GLU 64 1HG GLU 64 3.635 -4.520 11.133 476 2HG GLU 64 2HG GLU 64 5.301 -4.311 11.676 477 H TYR 65 H TYR 65 2.511 -1.434 7.260 478 HA TYR 65 HA TYR 65 2.834 1.312 7.603 479 1HB TYR 65 1HB TYR 65 5.097 -0.302 6.592 480 2HB TYR 65 2HB TYR 65 4.759 1.209 5.780 481 HD1 TYR 65 HD1 TYR 65 7.000 -0.011 7.823 482 HD2 TYR 65 HD2 TYR 65 4.207 3.232 7.641 483 HE1 TYR 65 HE1 TYR 65 8.364 1.229 9.457 484 HE2 TYR 65 HE2 TYR 65 5.572 4.509 9.311 485 HH TYR 65 HH TYR 65 7.212 3.570 11.341 486 H LEU 66 H LEU 66 2.824 2.192 5.150 487 HA LEU 66 HA LEU 66 2.375 0.501 2.931 488 1HB LEU 66 1HB LEU 66 0.221 0.023 3.878 489 2HB LEU 66 2HB LEU 66 0.026 1.704 4.368 490 HG LEU 66 HG LEU 66 -0.309 2.514 2.312 491 1HD1 LEU 66 1HD1 LEU 66 -0.815 1.089 0.265 492 2HD1 LEU 66 2HD1 LEU 66 0.852 0.896 0.716 493 3HD1 LEU 66 3HD1 LEU 66 -0.306 -0.354 1.169 494 1HD2 LEU 66 1HD2 LEU 66 -2.140 0.131 2.811 495 2HD2 LEU 66 2HD2 LEU 66 -2.269 1.750 3.509 496 3HD2 LEU 66 3HD2 LEU 66 -2.555 1.544 1.799 497 H ILE 67 H ILE 67 2.383 1.838 1.046 498 HA ILE 67 HA ILE 67 2.336 4.797 1.379 499 HB ILE 67 HB ILE 67 3.981 2.934 -0.442 500 1HG1 ILE 67 1HG1 ILE 67 4.984 5.019 1.601 501 2HG1 ILE 67 2HG1 ILE 67 4.710 3.370 2.104 502 1HG2 ILE 67 1HG2 ILE 67 3.748 5.986 -0.347 503 2HG2 ILE 67 2HG2 ILE 67 5.181 5.178 -0.995 504 3HG2 ILE 67 3HG2 ILE 67 3.601 4.892 -1.750 505 1HD1 ILE 67 1HD1 ILE 67 7.043 3.836 1.638 506 2HD1 ILE 67 2HD1 ILE 67 6.361 2.437 0.768 507 3HD1 ILE 67 3HD1 ILE 67 6.663 3.944 -0.083 508 H ALA 68 H ALA 68 0.276 5.448 0.550 509 HA ALA 68 HA ALA 68 -0.422 4.487 -2.130 510 1HB ALA 68 1HB ALA 68 -1.482 2.747 -0.794 511 2HB ALA 68 2HB ALA 68 -2.217 3.933 0.286 512 3HB ALA 68 3HB ALA 68 -2.733 3.818 -1.416 513 H SER 69 H SER 69 -1.577 6.102 -3.174 514 HA SER 69 HA SER 69 -1.644 8.690 -1.904 515 1HB SER 69 1HB SER 69 -2.694 9.514 -3.939 516 2HB SER 69 2HB SER 69 -1.378 8.401 -4.334 517 HG SER 69 HG SER 69 -3.254 8.061 -5.529 518 H ASN 70 H ASN 70 -4.081 6.147 -2.040 519 HA ASN 70 HA ASN 70 -5.793 7.425 -0.183 520 1HB ASN 70 1HB ASN 70 -6.338 8.405 -2.701 521 2HB ASN 70 2HB ASN 70 -7.173 6.867 -2.850 522 1HD2 ASN 70 1HD2 ASN 70 -9.362 7.708 -2.810 523 2HD2 ASN 70 2HD2 ASN 70 -9.973 8.488 -1.345 524 H VAL 71 H VAL 71 -8.075 5.910 -0.485 525 HA VAL 71 HA VAL 71 -7.120 3.130 -0.817 526 HB VAL 71 HB VAL 71 -7.632 4.118 1.558 527 1HG1 VAL 71 1HG1 VAL 71 -10.094 4.740 0.840 528 2HG1 VAL 71 2HG1 VAL 71 -10.339 2.989 1.102 529 3HG1 VAL 71 3HG1 VAL 71 -9.751 3.992 2.420 530 1HG2 VAL 71 1HG2 VAL 71 -8.592 1.428 0.573 531 2HG2 VAL 71 2HG2 VAL 71 -7.009 1.901 1.303 532 3HG2 VAL 71 3HG2 VAL 71 -8.459 1.878 2.289 533 H GLY 72 H GLY 72 -8.654 1.645 -1.601 534 1HA GLY 72 1HA GLY 72 -10.523 2.532 -3.665 535 2HA GLY 72 2HA GLY 72 -10.091 0.900 -3.235 536 H ARG 73 H ARG 73 -11.166 3.151 -0.744 537 HA ARG 73 HA ARG 73 -12.506 2.825 1.026 538 1HB ARG 73 1HB ARG 73 -14.424 2.181 -1.186 539 2HB ARG 73 2HB ARG 73 -14.933 1.983 0.491 540 1HG ARG 73 1HG ARG 73 -14.082 4.364 0.901 541 2HG ARG 73 2HG ARG 73 -14.035 4.557 -0.853 542 1HD ARG 73 1HD ARG 73 -16.398 4.349 -1.051 543 2HD ARG 73 2HD ARG 73 -16.560 3.611 0.540 544 HE ARG 73 HE ARG 73 -16.501 6.422 -0.083 545 1HH1 ARG 73 2HH2 ARG 73 -16.276 4.053 2.550 546 2HH1 ARG 73 1HH2 ARG 73 -16.028 5.186 3.807 547 1HH2 ARG 73 2HH1 ARG 73 -16.625 7.978 1.625 548 2HH2 ARG 73 1HH1 ARG 73 -16.334 7.551 3.257 549 H ASN 74 H ASN 74 -14.215 0.909 1.913 550 HA ASN 74 HA ASN 74 -13.785 -0.725 3.434 551 1HB ASN 74 1HB ASN 74 -15.276 -1.363 1.341 552 2HB ASN 74 2HB ASN 74 -14.023 -2.563 1.055 553 1HD2 ASN 74 1HD2 ASN 74 -14.232 -4.528 2.316 554 2HD2 ASN 74 2HD2 ASN 74 -15.397 -4.660 3.607 555 H ALA 75 H ALA 75 -11.607 -0.294 4.089 556 HA ALA 75 HA ALA 75 -9.787 -2.409 4.042 557 1HB ALA 75 1HB ALA 75 -9.333 -0.312 1.886 558 2HB ALA 75 2HB ALA 75 -7.964 -1.130 2.670 559 3HB ALA 75 3HB ALA 75 -9.158 -2.080 1.780 560 H PHE 76 H PHE 76 -10.104 1.186 4.167 561 HA PHE 76 HA PHE 76 -7.651 1.722 5.470 562 1HB PHE 76 1HB PHE 76 -8.840 3.448 4.469 563 2HB PHE 76 2HB PHE 76 -10.321 3.133 5.369 564 HD1 PHE 76 HD1 PHE 76 -10.094 3.519 8.120 565 HD2 PHE 76 HD2 PHE 76 -7.521 5.299 5.121 566 HE1 PHE 76 HE1 PHE 76 -9.811 5.490 9.514 567 HE2 PHE 76 HE2 PHE 76 -7.155 7.234 6.644 568 HZ PHE 76 HZ PHE 76 -8.305 7.306 8.852 569 H GLU 77 H GLU 77 -10.738 0.675 6.859 570 HA GLU 77 HA GLU 77 -9.960 1.173 9.608 571 1HB GLU 77 1HB GLU 77 -12.040 -0.690 8.399 572 2HB GLU 77 2HB GLU 77 -11.861 -0.261 10.111 573 1HG GLU 77 1HG GLU 77 -12.410 2.067 9.663 574 2HG GLU 77 2HG GLU 77 -12.467 1.778 7.921 575 H THR 78 H THR 78 -9.811 -1.651 7.333 576 HA THR 78 HA THR 78 -8.976 -3.491 9.343 577 HB THR 78 HB THR 78 -8.331 -4.028 6.480 578 HG1 THR 78 HG1 THR 78 -11.006 -3.698 7.307 579 1HG2 THR 78 1HG2 THR 78 -10.111 -5.444 8.537 580 2HG2 THR 78 2HG2 THR 78 -9.576 -6.094 6.982 581 3HG2 THR 78 3HG2 THR 78 -8.390 -5.781 8.258 582 H LEU 79 H LEU 79 -7.373 -0.878 7.826 583 HA LEU 79 HA LEU 79 -4.679 -2.068 7.941 584 1HB LEU 79 1HB LEU 79 -5.704 0.750 7.304 585 2HB LEU 79 2HB LEU 79 -4.015 0.372 7.406 586 HG LEU 79 HG LEU 79 -5.886 -1.057 5.462 587 1HD1 LEU 79 1HD1 LEU 79 -4.787 0.273 3.645 588 2HD1 LEU 79 2HD1 LEU 79 -5.832 1.203 4.692 589 3HD1 LEU 79 3HD1 LEU 79 -4.064 1.281 4.888 590 1HD2 LEU 79 1HD2 LEU 79 -3.804 -2.306 6.043 591 2HD2 LEU 79 2HD2 LEU 79 -3.736 -1.727 4.378 592 3HD2 LEU 79 3HD2 LEU 79 -2.836 -0.885 5.652 593 H LYS 80 H LYS 80 -6.747 0.176 9.755 594 HA LYS 80 HA LYS 80 -4.800 0.536 11.870 595 1HB LYS 80 1HB LYS 80 -7.022 1.318 13.048 596 2HB LYS 80 2HB LYS 80 -5.993 2.278 11.985 597 1HG LYS 80 1HG LYS 80 -7.909 1.210 10.286 598 2HG LYS 80 2HG LYS 80 -8.739 1.721 11.735 599 1HD LYS 80 1HD LYS 80 -8.558 3.474 10.001 600 2HD LYS 80 2HD LYS 80 -7.778 3.967 11.506 601 1HE LYS 80 1HE LYS 80 -5.790 4.240 10.509 602 2HE LYS 80 2HE LYS 80 -5.813 2.585 9.889 603 1HZ LYS 80 1HZ LYS 80 -6.853 3.258 7.963 604 2HZ LYS 80 2HZ LYS 80 -7.107 4.800 8.483 605 3HZ LYS 80 3HZ LYS 80 -5.562 4.291 8.224 606 H ALA 81 H ALA 81 -7.386 -1.808 11.241 607 HA ALA 81 HA ALA 81 -7.557 -2.992 13.731 608 1HB ALA 81 1HB ALA 81 -8.103 -5.073 12.621 609 2HB ALA 81 2HB ALA 81 -8.824 -3.735 11.712 610 3HB ALA 81 3HB ALA 81 -7.354 -4.535 11.112 611 H ALA 82 H ALA 82 -4.860 -3.329 11.373 612 HA ALA 82 HA ALA 82 -3.317 -4.910 13.406 613 1HB ALA 82 1HB ALA 82 -3.610 -6.040 11.275 614 2HB ALA 82 2HB ALA 82 -3.150 -4.576 10.373 615 3HB ALA 82 3HB ALA 82 -1.940 -5.446 11.338 616 H GLY 83 H GLY 83 -3.743 -1.986 13.595 617 1HA GLY 83 1HA GLY 83 -2.634 -0.116 13.988 618 2HA GLY 83 2HA GLY 83 -1.242 -1.121 14.426 619 H VAL 84 H VAL 84 -2.311 -1.116 11.055 620 HA VAL 84 HA VAL 84 0.369 -0.538 10.396 621 HB VAL 84 HB VAL 84 -2.013 -0.872 8.520 622 1HG1 VAL 84 1HG1 VAL 84 0.515 -0.419 7.789 623 2HG1 VAL 84 2HG1 VAL 84 0.671 -2.159 8.045 624 3HG1 VAL 84 3HG1 VAL 84 -0.543 -1.528 6.903 625 1HG2 VAL 84 1HG2 VAL 84 -0.434 -3.073 9.906 626 2HG2 VAL 84 2HG2 VAL 84 -2.131 -2.685 10.131 627 3HG2 VAL 84 3HG2 VAL 84 -1.600 -3.319 8.577 628 H LYS 85 H LYS 85 1.392 1.252 9.719 629 HA LYS 85 HA LYS 85 -0.082 3.746 9.834 630 1HB LYS 85 1HB LYS 85 2.680 2.898 10.165 631 2HB LYS 85 2HB LYS 85 2.625 4.151 8.930 632 1HG LYS 85 1HG LYS 85 1.428 5.669 10.498 633 2HG LYS 85 2HG LYS 85 1.587 4.421 11.772 634 1HD LYS 85 1HD LYS 85 4.116 4.469 11.273 635 2HD LYS 85 2HD LYS 85 3.796 5.874 10.264 636 1HE LYS 85 1HE LYS 85 4.318 7.032 12.092 637 2HE LYS 85 2HE LYS 85 2.638 6.770 12.541 638 1HZ LYS 85 1HZ LYS 85 4.338 6.245 14.285 639 2HZ LYS 85 2HZ LYS 85 3.368 4.967 13.980 640 3HZ LYS 85 3HZ LYS 85 4.892 5.017 13.372 641 H VAL 86 H VAL 86 -0.633 5.062 7.910 642 HA VAL 86 HA VAL 86 -0.035 3.743 5.221 643 HB VAL 86 HB VAL 86 -2.407 5.381 6.189 644 1HG1 VAL 86 1HG1 VAL 86 -1.737 4.060 3.523 645 2HG1 VAL 86 2HG1 VAL 86 -3.343 4.707 3.967 646 3HG1 VAL 86 3HG1 VAL 86 -1.953 5.782 3.847 647 1HG2 VAL 86 1HG2 VAL 86 -2.269 2.433 5.462 648 2HG2 VAL 86 2HG2 VAL 86 -2.304 2.940 7.098 649 3HG2 VAL 86 3HG2 VAL 86 -3.704 3.312 6.064 650 H TYR 87 H TYR 87 1.006 5.122 3.784 651 HA TYR 87 HA TYR 87 1.311 7.984 4.453 652 1HB TYR 87 1HB TYR 87 2.970 5.921 2.982 653 2HB TYR 87 2HB TYR 87 3.135 7.595 2.544 654 HD1 TYR 87 HD1 TYR 87 4.328 9.084 3.934 655 HD2 TYR 87 HD2 TYR 87 3.142 5.247 5.496 656 HE1 TYR 87 HE1 TYR 87 5.594 9.555 5.889 657 HE2 TYR 87 HE2 TYR 87 4.476 5.683 7.544 658 HH TYR 87 HH TYR 87 5.878 8.781 8.262 659 H ARG 88 H ARG 88 1.280 9.398 2.653 660 HA ARG 88 HA ARG 88 -0.586 8.810 0.431 661 1HB ARG 88 1HB ARG 88 -0.449 11.103 1.687 662 2HB ARG 88 2HB ARG 88 1.178 11.255 1.037 663 1HG ARG 88 1HG ARG 88 -0.069 12.544 -0.462 664 2HG ARG 88 2HG ARG 88 0.051 11.052 -1.316 665 1HD ARG 88 1HD ARG 88 -2.206 11.428 -1.539 666 2HD ARG 88 2HD ARG 88 -2.204 10.460 -0.041 667 HE ARG 88 HE ARG 88 -1.886 13.216 0.570 668 1HH1 ARG 88 2HH2 ARG 88 -4.384 10.895 -0.509 669 2HH1 ARG 88 1HH2 ARG 88 -5.693 11.711 0.282 670 1HH2 ARG 88 2HH1 ARG 88 -3.621 14.375 1.462 671 2HH2 ARG 88 1HH1 ARG 88 -5.257 13.795 1.406 672 H PHE 89 H PHE 89 0.334 9.086 -1.771 673 HA PHE 89 HA PHE 89 3.092 9.685 -2.050 674 1HB PHE 89 1HB PHE 89 3.883 7.695 -2.714 675 2HB PHE 89 2HB PHE 89 2.389 6.934 -2.269 676 HD1 PHE 89 HD1 PHE 89 0.407 7.072 -3.902 677 HD2 PHE 89 HD2 PHE 89 4.515 7.531 -5.127 678 HE1 PHE 89 HE1 PHE 89 -0.277 6.716 -6.272 679 HE2 PHE 89 HE2 PHE 89 3.838 7.110 -7.420 680 HZ PHE 89 HZ PHE 89 1.451 6.788 -8.051 681 H GLU 90 H GLU 90 3.311 10.578 -4.441 682 HA GLU 90 HA GLU 90 0.822 10.627 -5.901 683 1HB GLU 90 1HB GLU 90 0.533 12.543 -4.347 684 2HB GLU 90 2HB GLU 90 1.965 13.301 -5.069 685 1HG GLU 90 1HG GLU 90 0.883 13.427 -7.242 686 2HG GLU 90 2HG GLU 90 -0.420 12.348 -6.722 687 H GLY 91 H GLY 91 1.753 9.612 -7.522 688 1HA GLY 91 1HA GLY 91 2.504 9.594 -9.642 689 2HA GLY 91 2HA GLY 91 3.239 11.197 -9.437 690 H GLY 92 H GLY 92 3.866 7.821 -9.832 691 1HA GLY 92 1HA GLY 92 6.621 7.968 -9.844 692 2HA GLY 92 2HA GLY 92 6.151 7.678 -8.157 693 H THR 93 H THR 93 7.692 5.928 -9.753 694 HA THR 93 HA THR 93 5.962 3.570 -10.070 695 HB THR 93 HB THR 93 8.081 2.441 -10.691 696 HG1 THR 93 HG1 THR 93 9.320 4.990 -10.787 697 1HG2 THR 93 1HG2 THR 93 8.318 3.439 -12.861 698 2HG2 THR 93 2HG2 THR 93 6.618 3.534 -12.400 699 3HG2 THR 93 3HG2 THR 93 7.644 4.980 -12.302 700 H VAL 94 H VAL 94 6.576 1.545 -8.743 701 HA VAL 94 HA VAL 94 6.535 1.771 -6.144 702 HB VAL 94 HB VAL 94 8.072 -0.279 -7.758 703 1HG1 VAL 94 1HG1 VAL 94 7.252 -0.491 -4.841 704 2HG1 VAL 94 2HG1 VAL 94 8.029 -1.721 -5.876 705 3HG1 VAL 94 3HG1 VAL 94 8.921 -0.295 -5.429 706 1HG2 VAL 94 1HG2 VAL 94 6.082 -1.609 -7.482 707 2HG2 VAL 94 2HG2 VAL 94 5.330 -0.372 -6.447 708 3HG2 VAL 94 3HG2 VAL 94 5.609 -0.067 -8.173 709 H GLN 95 H GLN 95 9.825 2.029 -7.730 710 HA GLN 95 HA GLN 95 11.095 2.443 -5.301 711 1HB GLN 95 1HB GLN 95 12.155 2.246 -7.701 712 2HB GLN 95 2HB GLN 95 11.979 4.001 -7.754 713 1HG GLN 95 1HG GLN 95 13.252 4.004 -5.470 714 2HG GLN 95 2HG GLN 95 13.604 2.319 -5.790 715 1HE2 GLN 95 1HE2 GLN 95 15.178 4.999 -5.642 716 2HE2 GLN 95 2HE2 GLN 95 16.282 4.919 -6.983 717 H GLU 96 H GLU 96 9.201 4.884 -6.926 718 HA GLU 96 HA GLU 96 10.393 7.229 -5.729 719 1HB GLU 96 1HB GLU 96 7.720 6.573 -6.984 720 2HB GLU 96 2HB GLU 96 8.217 8.210 -6.619 721 1HG GLU 96 1HG GLU 96 9.355 6.243 -8.660 722 2HG GLU 96 2HG GLU 96 8.502 7.735 -9.015 723 H ALA 97 H ALA 97 7.487 5.086 -5.164 724 HA ALA 97 HA ALA 97 6.482 6.390 -2.929 725 1HB ALA 97 1HB ALA 97 5.189 4.607 -3.573 726 2HB ALA 97 2HB ALA 97 6.565 3.587 -3.985 727 3HB ALA 97 3HB ALA 97 6.097 3.752 -2.307 728 H ILE 98 H ILE 98 9.440 4.423 -3.135 729 HA ILE 98 HA ILE 98 9.718 4.220 -0.214 730 HB ILE 98 HB ILE 98 11.850 3.534 -2.311 731 1HG1 ILE 98 1HG1 ILE 98 9.993 2.661 -3.192 732 2HG1 ILE 98 2HG1 ILE 98 10.951 1.328 -2.559 733 1HG2 ILE 98 1HG2 ILE 98 12.426 1.746 -0.675 734 2HG2 ILE 98 2HG2 ILE 98 12.586 3.372 0.015 735 3HG2 ILE 98 3HG2 ILE 98 11.197 2.357 0.436 736 1HD1 ILE 98 1HD1 ILE 98 8.352 2.437 -1.313 737 2HD1 ILE 98 2HD1 ILE 98 8.632 0.888 -2.153 738 3HD1 ILE 98 3HD1 ILE 98 9.409 1.189 -0.576 739 H ASP 99 H ASP 99 11.659 5.526 -2.945 740 HA ASP 99 HA ASP 99 13.571 6.945 -1.513 741 1HB ASP 99 1HB ASP 99 12.504 6.916 -4.270 742 2HB ASP 99 2HB ASP 99 13.180 8.454 -3.814 743 H ALA 100 H ALA 100 10.256 7.765 -2.250 744 HA ALA 100 HA ALA 100 10.581 10.578 -1.410 745 1HB ALA 100 1HB ALA 100 8.055 8.948 -1.837 746 2HB ALA 100 2HB ALA 100 8.171 10.728 -1.681 747 3HB ALA 100 3HB ALA 100 8.886 9.889 -3.083 748 H PHE 101 H PHE 101 9.190 7.585 0.047 749 HA PHE 101 HA PHE 101 8.446 8.775 2.555 750 1HB PHE 101 1HB PHE 101 7.389 6.795 1.957 751 2HB PHE 101 2HB PHE 101 8.861 6.005 1.446 752 HD1 PHE 101 HD1 PHE 101 6.863 6.931 4.438 753 HD2 PHE 101 HD2 PHE 101 10.248 4.752 2.894 754 HE1 PHE 101 HE1 PHE 101 7.010 5.620 6.560 755 HE2 PHE 101 HE2 PHE 101 10.383 3.469 5.010 756 HZ PHE 101 HZ PHE 101 8.704 3.848 6.811 757 H SER 102 H SER 102 11.360 6.968 1.506 758 HA SER 102 HA SER 102 12.529 6.703 4.071 759 1HB SER 102 1HB SER 102 14.442 5.899 2.790 760 2HB SER 102 2HB SER 102 12.924 5.162 2.193 761 HG SER 102 HG SER 102 14.641 6.060 0.700 762 H GLU 103 H GLU 103 13.116 8.958 1.292 763 HA GLU 103 HA GLU 103 14.859 10.586 3.040 764 1HB GLU 103 1HB GLU 103 13.898 11.124 0.207 765 2HB GLU 103 2HB GLU 103 15.246 11.876 1.003 766 1HG GLU 103 1HG GLU 103 15.431 8.874 0.741 767 2HG GLU 103 2HG GLU 103 15.448 9.766 -0.743 768 H GLY 104 H GLY 104 12.037 10.240 3.760 769 1HA GLY 104 1HA GLY 104 10.371 11.447 4.698 770 2HA GLY 104 2HA GLY 104 11.706 12.556 5.099 771 H ARG 105 H ARG 105 10.099 11.827 1.980 772 HA ARG 105 HA ARG 105 9.079 14.656 1.800 773 1HB ARG 105 1HB ARG 105 9.752 12.755 -0.498 774 2HB ARG 105 2HB ARG 105 9.294 14.441 -0.578 775 1HG ARG 105 1HG ARG 105 11.579 14.940 0.551 776 2HG ARG 105 2HG ARG 105 11.889 13.200 0.397 777 1HD ARG 105 1HD ARG 105 12.964 13.954 -1.472 778 2HD ARG 105 2HD ARG 105 11.397 13.490 -2.123 779 HE ARG 105 HE ARG 105 10.889 15.703 -2.562 780 1HH1 ARG 105 2HH2 ARG 105 13.880 15.563 -0.573 781 2HH1 ARG 105 1HH2 ARG 105 14.356 17.160 -0.943 782 1HH2 ARG 105 2HH1 ARG 105 11.493 17.940 -2.890 783 2HH2 ARG 105 1HH1 ARG 105 12.802 18.612 -1.957 784 H LEU 106 H LEU 106 7.590 12.265 2.986 785 HA LEU 106 HA LEU 106 5.409 12.409 1.018 786 1HB LEU 106 1HB LEU 106 6.336 9.993 2.596 787 2HB LEU 106 2HB LEU 106 4.683 10.107 2.066 788 HG LEU 106 HG LEU 106 7.166 10.001 0.367 789 1HD1 LEU 106 1HD1 LEU 106 5.655 7.935 1.371 790 2HD1 LEU 106 2HD1 LEU 106 4.895 8.154 -0.206 791 3HD1 LEU 106 3HD1 LEU 106 6.612 7.858 -0.131 792 1HD2 LEU 106 1HD2 LEU 106 5.840 11.470 -0.988 793 2HD2 LEU 106 2HD2 LEU 106 5.496 9.880 -1.654 794 3HD2 LEU 106 3HD2 LEU 106 4.333 10.644 -0.548 795 H GLU 107 H GLU 107 3.319 11.447 2.494 796 HA GLU 107 HA GLU 107 3.245 13.098 4.947 797 1HB GLU 107 1HB GLU 107 0.773 12.544 3.277 798 2HB GLU 107 2HB GLU 107 1.026 13.804 4.470 799 1HG GLU 107 1HG GLU 107 2.461 15.025 2.842 800 2HG GLU 107 2HG GLU 107 2.213 13.726 1.658 801 H GLU 108 H GLU 108 2.336 11.938 6.706 802 HA GLU 108 HA GLU 108 1.760 9.066 6.339 803 1HB GLU 108 1HB GLU 108 3.007 10.473 8.326 804 2HB GLU 108 2HB GLU 108 1.349 10.511 8.918 805 1HG GLU 108 1HG GLU 108 1.300 7.983 8.738 806 2HG GLU 108 2HG GLU 108 2.953 8.039 8.179 807 H LEU 109 H LEU 109 -0.239 8.598 5.646 808 HA LEU 109 HA LEU 109 -2.325 10.681 5.657 809 1HB LEU 109 1HB LEU 109 -1.516 9.664 3.499 810 2HB LEU 109 2HB LEU 109 -2.349 8.185 4.014 811 HG LEU 109 HG LEU 109 -4.431 9.618 4.335 812 1HD1 LEU 109 1HD1 LEU 109 -2.782 11.689 2.852 813 2HD1 LEU 109 2HD1 LEU 109 -4.556 11.736 3.046 814 3HD1 LEU 109 3HD1 LEU 109 -3.518 11.878 4.444 815 1HD2 LEU 109 1HD2 LEU 109 -4.049 8.173 2.358 816 2HD2 LEU 109 2HD2 LEU 109 -5.054 9.597 2.014 817 3HD2 LEU 109 3HD2 LEU 109 -3.346 9.548 1.514 818 H THR 110 H THR 110 -2.367 9.978 8.151 819 HA THR 110 HA THR 110 -3.601 7.333 8.594 820 HB THR 110 HB THR 110 -3.030 7.963 10.961 821 HG1 THR 110 HG1 THR 110 -2.434 9.914 11.469 822 1HG2 THR 110 1HG2 THR 110 -1.264 6.981 9.405 823 2HG2 THR 110 2HG2 THR 110 -0.705 8.643 9.141 824 3HG2 THR 110 3HG2 THR 110 -0.635 7.943 10.765 825 H THR 111 H THR 111 -5.330 9.585 7.423 826 HA THR 111 HA THR 111 -7.761 9.307 8.877 827 HB THR 111 HB THR 111 -6.871 10.379 10.754 828 HG1 THR 111 HG1 THR 111 -8.855 11.056 10.164 829 1HG2 THR 111 1HG2 THR 111 -5.826 12.692 9.102 830 2HG2 THR 111 2HG2 THR 111 -5.838 12.568 10.859 831 3HG2 THR 111 3HG2 THR 111 -4.818 11.476 9.901 832 H PHE 112 H PHE 112 -8.808 9.258 6.848 833 HA PHE 112 HA PHE 112 -8.060 11.353 4.896 834 1HB PHE 112 1HB PHE 112 -10.177 9.204 4.758 835 2HB PHE 112 2HB PHE 112 -9.713 10.279 3.473 836 HD1 PHE 112 HD1 PHE 112 -9.906 7.980 2.409 837 HD2 PHE 112 HD2 PHE 112 -6.625 9.147 4.967 838 HE1 PHE 112 HE1 PHE 112 -8.512 6.243 1.430 839 HE2 PHE 112 HE2 PHE 112 -5.266 7.309 4.051 840 HZ PHE 112 HZ PHE 112 -6.175 5.851 2.264 841 H THR 113 H THR 113 -9.680 12.774 4.106 842 HA THR 113 HA THR 113 -12.045 13.254 5.853 843 HB THR 113 HB THR 113 -11.332 15.690 5.599 844 HG1 THR 113 HG1 THR 113 -8.958 15.816 5.590 845 1HG2 THR 113 1HG2 THR 113 -10.114 15.602 7.688 846 2HG2 THR 113 2HG2 THR 113 -11.264 14.275 7.714 847 3HG2 THR 113 3HG2 THR 113 -9.557 13.943 7.377 848 H ARG 114 H ARG 114 -12.928 12.088 3.974 849 HA ARG 114 HA ARG 114 -14.044 14.091 2.220 850 1HB ARG 114 1HB ARG 114 -11.987 13.132 0.980 851 2HB ARG 114 2HB ARG 114 -12.822 11.591 0.952 852 1HG ARG 114 1HG ARG 114 -13.227 12.614 -1.139 853 2HG ARG 114 2HG ARG 114 -14.757 12.674 -0.246 854 1HD ARG 114 1HD ARG 114 -14.431 14.797 -1.315 855 2HD ARG 114 2HD ARG 114 -14.203 15.037 0.419 856 HE ARG 114 HE ARG 114 -11.651 14.543 -0.412 857 1HH1 ARG 114 2HH2 ARG 114 -14.029 16.859 -1.731 858 2HH1 ARG 114 1HH2 ARG 114 -12.812 17.855 -2.442 859 1HH2 ARG 114 2HH1 ARG 114 -10.154 15.732 -1.414 860 2HH2 ARG 114 1HH1 ARG 114 -10.528 17.083 -2.443 861 H GLU 115 H GLU 115 -15.949 13.845 3.077 862 HA GLU 115 HA GLU 115 -17.343 11.280 2.555 863 1HB GLU 115 1HB GLU 115 -18.040 13.794 4.024 864 2HB GLU 115 2HB GLU 115 -19.256 13.307 2.846 865 1HG GLU 115 1HG GLU 115 -19.975 12.242 4.737 866 2HG GLU 115 2HG GLU 115 -19.161 10.972 3.821 867 H GLY 116 H GLY 116 -17.349 10.924 0.353 868 1HA GLY 116 1HA GLY 116 -19.184 12.363 -0.977 869 2HA GLY 116 2HA GLY 116 -17.652 13.059 -1.565 Start of MODEL 14 1 1H MET 1 H1 MET 1 12.689 -2.712 13.143 2 HA MET 1 HA MET 1 13.215 -3.670 10.389 3 1HB MET 1 1HB MET 1 13.159 -5.453 12.159 4 2HB MET 1 2HB MET 1 11.513 -4.975 12.547 5 1HG MET 1 1HG MET 1 10.932 -5.579 10.114 6 2HG MET 1 2HG MET 1 12.550 -6.270 10.017 7 1HE MET 1 1HE MET 1 13.311 -8.230 12.034 8 2HE MET 1 2HE MET 1 12.505 -7.288 13.302 9 3HE MET 1 3HE MET 1 12.071 -8.984 13.055 10 H ALA 2 H ALA 2 11.244 -3.580 8.968 11 HA ALA 2 HA ALA 2 8.923 -3.701 10.320 12 1HB ALA 2 1HB ALA 2 7.587 -1.886 9.639 13 2HB ALA 2 2HB ALA 2 9.085 -1.085 10.138 14 3HB ALA 2 3HB ALA 2 8.739 -1.336 8.415 15 H ARG 3 H ARG 3 7.024 -4.026 8.566 16 HA ARG 3 HA ARG 3 8.244 -4.337 5.839 17 1HB ARG 3 1HB ARG 3 6.198 -6.039 7.219 18 2HB ARG 3 2HB ARG 3 5.995 -5.721 5.490 19 1HG ARG 3 1HG ARG 3 8.134 -6.684 4.946 20 2HG ARG 3 2HG ARG 3 8.695 -6.428 6.591 21 1HD ARG 3 1HD ARG 3 8.605 -8.533 6.779 22 2HD ARG 3 2HD ARG 3 6.902 -8.270 7.207 23 HE ARG 3 HE ARG 3 7.560 -8.880 4.385 24 1HH1 ARG 3 2HH2 ARG 3 6.894 -10.301 7.560 25 2HH1 ARG 3 1HH2 ARG 3 6.480 -11.865 6.988 26 1HH2 ARG 3 2HH1 ARG 3 7.079 -11.036 3.594 27 2HH2 ARG 3 1HH1 ARG 3 6.545 -12.269 4.659 28 H VAL 4 H VAL 4 7.593 -2.995 4.320 29 HA VAL 4 HA VAL 4 5.185 -1.328 4.797 30 HB VAL 4 HB VAL 4 7.572 -0.341 4.902 31 1HG1 VAL 4 1HG1 VAL 4 8.874 -0.970 3.469 32 2HG1 VAL 4 2HG1 VAL 4 7.745 -0.774 2.060 33 3HG1 VAL 4 3HG1 VAL 4 8.506 0.621 2.863 34 1HG2 VAL 4 1HG2 VAL 4 6.292 1.283 2.748 35 2HG2 VAL 4 2HG2 VAL 4 5.129 0.799 3.948 36 3HG2 VAL 4 3HG2 VAL 4 6.573 1.725 4.450 37 H ALA 5 H ALA 5 3.594 -1.254 3.082 38 HA ALA 5 HA ALA 5 4.307 -3.160 0.894 39 1HB ALA 5 1HB ALA 5 1.637 -2.534 2.133 40 2HB ALA 5 2HB ALA 5 1.970 -3.674 0.795 41 3HB ALA 5 3HB ALA 5 2.608 -3.995 2.406 42 H ILE 6 H ILE 6 4.009 -2.329 -1.201 43 HA ILE 6 HA ILE 6 2.961 0.441 -1.412 44 HB ILE 6 HB ILE 6 5.286 -0.719 -2.924 45 1HG1 ILE 6 1HG1 ILE 6 6.289 1.394 -1.597 46 2HG1 ILE 6 2HG1 ILE 6 5.090 0.919 -0.417 47 1HG2 ILE 6 1HG2 ILE 6 4.126 2.091 -2.897 48 2HG2 ILE 6 2HG2 ILE 6 5.550 1.528 -3.807 49 3HG2 ILE 6 3HG2 ILE 6 3.950 0.906 -4.214 50 1HD1 ILE 6 1HD1 ILE 6 7.357 -0.049 -0.035 51 2HD1 ILE 6 2HD1 ILE 6 6.106 -1.281 -0.156 52 3HD1 ILE 6 3HD1 ILE 6 7.192 -0.979 -1.531 53 HA PRO 7 HA PRO 7 0.081 -1.731 -4.119 54 1HB PRO 7 1HB PRO 7 -1.419 0.513 -4.747 55 2HB PRO 7 2HB PRO 7 -1.536 -0.374 -3.182 56 1HG PRO 7 1HG PRO 7 -0.254 2.245 -3.836 57 2HG PRO 7 2HG PRO 7 -0.954 1.702 -2.276 58 1HD PRO 7 1HD PRO 7 1.670 1.746 -2.971 59 2HD PRO 7 2HD PRO 7 0.952 0.884 -1.565 60 H SER 8 H SER 8 0.905 -2.334 -6.049 61 HA SER 8 HA SER 8 1.997 -0.300 -7.940 62 1HB SER 8 1HB SER 8 3.671 -1.812 -7.013 63 2HB SER 8 2HB SER 8 2.690 -3.226 -7.391 64 HG SER 8 HG SER 8 3.998 -3.173 -9.060 65 H VAL 9 H VAL 9 1.780 -1.100 -10.208 66 HA VAL 9 HA VAL 9 -0.515 -2.934 -10.737 67 HB VAL 9 HB VAL 9 -1.201 -1.605 -12.620 68 1HG1 VAL 9 1HG1 VAL 9 -2.325 0.143 -11.379 69 2HG1 VAL 9 2HG1 VAL 9 -2.133 -1.255 -10.291 70 3HG1 VAL 9 3HG1 VAL 9 -1.050 0.182 -10.183 71 1HG2 VAL 9 1HG2 VAL 9 -0.453 0.637 -13.089 72 2HG2 VAL 9 2HG2 VAL 9 0.596 0.668 -11.678 73 3HG2 VAL 9 3HG2 VAL 9 1.002 -0.372 -13.069 74 H GLY 10 H GLY 10 2.223 -3.663 -10.416 75 1HA GLY 10 1HA GLY 10 2.367 -5.520 -12.425 76 2HA GLY 10 2HA GLY 10 3.489 -4.248 -12.911 77 H LYS 11 H LYS 11 5.090 -6.115 -12.516 78 HA LYS 11 HA LYS 11 5.576 -6.731 -9.638 79 1HB LYS 11 1HB LYS 11 5.805 -8.460 -12.141 80 2HB LYS 11 2HB LYS 11 6.404 -8.952 -10.544 81 1HG LYS 11 1HG LYS 11 4.175 -9.107 -9.761 82 2HG LYS 11 2HG LYS 11 3.566 -8.368 -11.270 83 1HD LYS 11 1HD LYS 11 5.297 -10.837 -11.450 84 2HD LYS 11 2HD LYS 11 3.640 -11.042 -10.915 85 1HE LYS 11 1HE LYS 11 2.780 -9.950 -12.918 86 2HE LYS 11 2HE LYS 11 4.405 -9.566 -13.473 87 1HZ LYS 11 1HZ LYS 11 3.666 -12.354 -12.949 88 2HZ LYS 11 2HZ LYS 11 3.239 -11.636 -14.371 89 3HZ LYS 11 3HZ LYS 11 4.821 -11.767 -13.970 90 H ASP 12 H ASP 12 6.675 -4.452 -10.968 91 HA ASP 12 HA ASP 12 9.560 -5.184 -11.038 92 1HB ASP 12 1HB ASP 12 8.179 -3.026 -12.637 93 2HB ASP 12 2HB ASP 12 9.892 -3.281 -12.540 94 H LEU 13 H LEU 13 10.868 -3.751 -9.917 95 HA LEU 13 HA LEU 13 9.658 -2.055 -7.928 96 1HB LEU 13 1HB LEU 13 11.919 -3.423 -8.016 97 2HB LEU 13 2HB LEU 13 12.568 -1.946 -8.698 98 HG LEU 13 HG LEU 13 13.072 -2.111 -6.364 99 1HD1 LEU 13 1HD1 LEU 13 10.870 -0.058 -6.527 100 2HD1 LEU 13 2HD1 LEU 13 12.312 -0.036 -5.486 101 3HD1 LEU 13 3HD1 LEU 13 12.474 0.138 -7.253 102 1HD2 LEU 13 1HD2 LEU 13 10.116 -2.364 -5.753 103 2HD2 LEU 13 2HD2 LEU 13 11.318 -3.651 -5.630 104 3HD2 LEU 13 3HD2 LEU 13 11.419 -2.237 -4.569 105 H SER 14 H SER 14 9.850 -1.672 -11.169 106 HA SER 14 HA SER 14 9.497 1.267 -10.921 107 1HB SER 14 1HB SER 14 11.698 0.521 -11.986 108 2HB SER 14 2HB SER 14 10.643 -0.237 -13.215 109 HG SER 14 HG SER 14 10.044 1.810 -13.893 110 H SER 15 H SER 15 7.520 -1.017 -10.753 111 HA SER 15 HA SER 15 6.058 -0.539 -13.232 112 1HB SER 15 1HB SER 15 5.276 -1.725 -10.529 113 2HB SER 15 2HB SER 15 4.162 -1.636 -11.908 114 HG SER 15 HG SER 15 5.756 -2.917 -13.063 115 H MET 16 H MET 16 3.742 0.654 -12.793 116 HA MET 16 HA MET 16 4.311 3.163 -11.386 117 1HB MET 16 1HB MET 16 2.107 2.005 -13.087 118 2HB MET 16 2HB MET 16 1.623 3.187 -11.915 119 1HG MET 16 1HG MET 16 3.921 4.329 -13.115 120 2HG MET 16 2HG MET 16 3.057 3.540 -14.441 121 1HE MET 16 1HE MET 16 3.057 6.167 -11.610 122 2HE MET 16 2HE MET 16 1.400 6.821 -11.617 123 3HE MET 16 3HE MET 16 1.691 5.159 -11.094 124 H VAL 17 H VAL 17 3.585 3.838 -9.403 125 HA VAL 17 HA VAL 17 2.287 1.889 -7.642 126 HB VAL 17 HB VAL 17 3.287 4.730 -7.203 127 1HG1 VAL 17 1HG1 VAL 17 1.379 4.399 -5.619 128 2HG1 VAL 17 2HG1 VAL 17 2.147 2.899 -5.046 129 3HG1 VAL 17 3HG1 VAL 17 2.962 4.464 -4.825 130 1HG2 VAL 17 1HG2 VAL 17 4.165 2.069 -6.075 131 2HG2 VAL 17 2HG2 VAL 17 4.853 2.873 -7.465 132 3HG2 VAL 17 3HG2 VAL 17 4.967 3.664 -5.886 133 H SER 18 H SER 18 0.196 2.204 -6.804 134 HA SER 18 HA SER 18 -1.576 3.456 -8.830 135 1HB SER 18 1HB SER 18 -1.357 0.902 -8.351 136 2HB SER 18 2HB SER 18 -2.277 1.218 -6.915 137 HG SER 18 HG SER 18 -3.032 1.924 -9.601 138 H ASP 19 H ASP 19 -3.011 5.005 -8.191 139 HA ASP 19 HA ASP 19 -2.635 6.108 -5.606 140 1HB ASP 19 1HB ASP 19 -4.893 6.979 -7.406 141 2HB ASP 19 2HB ASP 19 -3.962 7.946 -6.298 142 H ARG 20 H ARG 20 -3.784 3.501 -5.264 143 HA ARG 20 HA ARG 20 -6.353 3.857 -3.944 144 1HB ARG 20 1HB ARG 20 -7.232 1.969 -5.686 145 2HB ARG 20 2HB ARG 20 -7.505 3.678 -5.976 146 1HG ARG 20 1HG ARG 20 -5.533 3.687 -7.545 147 2HG ARG 20 2HG ARG 20 -5.193 2.022 -7.079 148 1HD ARG 20 1HD ARG 20 -6.336 1.464 -8.929 149 2HD ARG 20 2HD ARG 20 -7.759 1.746 -7.930 150 HE ARG 20 HE ARG 20 -6.766 4.132 -9.307 151 1HH1 ARG 20 2HH2 ARG 20 -8.549 1.123 -9.967 152 2HH1 ARG 20 1HH2 ARG 20 -9.765 1.931 -10.892 153 1HH2 ARG 20 2HH1 ARG 20 -8.259 5.100 -10.871 154 2HH2 ARG 20 1HH1 ARG 20 -9.478 4.083 -11.551 155 H PHE 21 H PHE 21 -4.987 2.849 -2.191 156 HA PHE 21 HA PHE 21 -3.568 0.532 -2.388 157 1HB PHE 21 1HB PHE 21 -3.675 1.737 -0.315 158 2HB PHE 21 2HB PHE 21 -5.378 1.616 -0.232 159 HD1 PHE 21 HD1 PHE 21 -2.723 -0.964 -0.828 160 HD2 PHE 21 HD2 PHE 21 -5.914 0.378 1.741 161 HE1 PHE 21 HE1 PHE 21 -2.561 -3.036 0.447 162 HE2 PHE 21 HE2 PHE 21 -5.683 -1.703 3.085 163 HZ PHE 21 HZ PHE 21 -4.011 -3.411 2.453 164 H ALA 22 H ALA 22 -7.132 0.574 -1.794 165 HA ALA 22 HA ALA 22 -7.210 -2.288 -1.715 166 1HB ALA 22 1HB ALA 22 -9.567 -2.060 -1.380 167 2HB ALA 22 2HB ALA 22 -8.778 -0.778 -0.460 168 3HB ALA 22 3HB ALA 22 -9.576 -0.409 -2.013 169 H ARG 23 H ARG 23 -6.909 -0.351 -4.544 170 HA ARG 23 HA ARG 23 -7.795 -2.614 -6.152 171 1HB ARG 23 1HB ARG 23 -8.619 0.296 -6.325 172 2HB ARG 23 2HB ARG 23 -8.112 -0.556 -7.774 173 1HG ARG 23 1HG ARG 23 -9.768 -2.338 -7.285 174 2HG ARG 23 2HG ARG 23 -10.359 -1.369 -5.903 175 1HD ARG 23 1HD ARG 23 -11.117 0.384 -7.397 176 2HD ARG 23 2HD ARG 23 -10.208 -0.257 -8.751 177 HE ARG 23 HE ARG 23 -12.770 -1.267 -7.681 178 1HH1 ARG 23 2HH2 ARG 23 -10.111 -1.864 -9.996 179 2HH1 ARG 23 1HH2 ARG 23 -11.058 -2.875 -11.021 180 1HH2 ARG 23 2HH1 ARG 23 -14.072 -2.328 -9.255 181 2HH2 ARG 23 1HH1 ARG 23 -13.313 -3.275 -10.496 182 H ALA 24 H ALA 24 -5.349 -2.866 -5.368 183 HA ALA 24 HA ALA 24 -3.870 -1.560 -7.533 184 1HB ALA 24 1HB ALA 24 -1.853 -1.416 -6.049 185 2HB ALA 24 2HB ALA 24 -3.202 -0.409 -5.469 186 3HB ALA 24 3HB ALA 24 -2.842 -1.948 -4.673 187 H GLU 25 H GLU 25 -2.901 -3.162 -8.723 188 HA GLU 25 HA GLU 25 -3.929 -5.831 -8.237 189 1HB GLU 25 1HB GLU 25 -2.255 -4.436 -10.384 190 2HB GLU 25 2HB GLU 25 -2.757 -6.150 -10.508 191 1HG GLU 25 1HG GLU 25 -5.161 -5.299 -10.182 192 2HG GLU 25 2HG GLU 25 -4.528 -3.667 -10.361 193 H TYR 26 H TYR 26 -0.875 -4.359 -7.389 194 HA TYR 26 HA TYR 26 0.153 -6.990 -6.658 195 1HB TYR 26 1HB TYR 26 1.585 -4.911 -8.368 196 2HB TYR 26 2HB TYR 26 2.411 -6.218 -7.527 197 HD1 TYR 26 HD1 TYR 26 2.195 -8.531 -8.242 198 HD2 TYR 26 HD2 TYR 26 0.201 -5.378 -10.376 199 HE1 TYR 26 HE1 TYR 26 1.944 -10.004 -10.186 200 HE2 TYR 26 HE2 TYR 26 -0.136 -6.877 -12.308 201 HH TYR 26 HH TYR 26 0.651 -10.397 -12.101 202 H PHE 27 H PHE 27 1.695 -6.789 -4.971 203 HA PHE 27 HA PHE 27 1.692 -4.210 -3.485 204 1HB PHE 27 1HB PHE 27 0.756 -6.930 -2.524 205 2HB PHE 27 2HB PHE 27 1.200 -5.611 -1.427 206 HD1 PHE 27 HD1 PHE 27 0.058 -3.237 -2.338 207 HD2 PHE 27 HD2 PHE 27 -1.539 -7.203 -2.855 208 HE1 PHE 27 HE1 PHE 27 -2.250 -2.308 -2.489 209 HE2 PHE 27 HE2 PHE 27 -3.806 -6.247 -3.095 210 HZ PHE 27 HZ PHE 27 -4.168 -3.820 -2.900 211 H ILE 28 H ILE 28 3.755 -3.768 -3.396 212 HA ILE 28 HA ILE 28 5.853 -5.878 -3.366 213 HB ILE 28 HB ILE 28 5.851 -2.871 -3.843 214 1HG1 ILE 28 1HG1 ILE 28 6.433 -3.364 -6.136 215 2HG1 ILE 28 2HG1 ILE 28 6.627 -5.069 -5.826 216 1HG2 ILE 28 1HG2 ILE 28 7.964 -3.592 -2.754 217 2HG2 ILE 28 2HG2 ILE 28 8.166 -4.834 -4.025 218 3HG2 ILE 28 3HG2 ILE 28 8.240 -3.118 -4.416 219 1HD1 ILE 28 1HD1 ILE 28 4.633 -4.475 -7.150 220 2HD1 ILE 28 2HD1 ILE 28 4.286 -5.431 -5.713 221 3HD1 ILE 28 3HD1 ILE 28 3.959 -3.685 -5.691 222 H ILE 29 H ILE 29 6.554 -6.507 -1.388 223 HA ILE 29 HA ILE 29 5.993 -4.725 0.923 224 HB ILE 29 HB ILE 29 6.133 -7.740 0.869 225 1HG1 ILE 29 1HG1 ILE 29 3.796 -5.830 1.407 226 2HG1 ILE 29 2HG1 ILE 29 4.063 -6.678 -0.109 227 1HG2 ILE 29 1HG2 ILE 29 7.020 -6.817 2.984 228 2HG2 ILE 29 2HG2 ILE 29 5.606 -5.778 3.147 229 3HG2 ILE 29 3HG2 ILE 29 5.455 -7.557 3.266 230 1HD1 ILE 29 1HD1 ILE 29 2.571 -8.084 0.901 231 2HD1 ILE 29 2HD1 ILE 29 4.089 -8.852 1.356 232 3HD1 ILE 29 3HD1 ILE 29 3.231 -7.817 2.528 233 H TYR 30 H TYR 30 7.750 -3.614 1.333 234 HA TYR 30 HA TYR 30 10.493 -4.717 0.945 235 1HB TYR 30 1HB TYR 30 9.455 -2.369 0.211 236 2HB TYR 30 2HB TYR 30 9.514 -1.956 1.901 237 HD1 TYR 30 HD1 TYR 30 11.804 -3.314 -0.803 238 HD2 TYR 30 HD2 TYR 30 11.347 -0.769 2.627 239 HE1 TYR 30 HE1 TYR 30 14.231 -2.675 -0.939 240 HE2 TYR 30 HE2 TYR 30 13.695 -0.061 2.441 241 HH TYR 30 HH TYR 30 15.370 0.241 0.620 242 H ASP 31 H ASP 31 11.241 -5.866 2.642 243 HA ASP 31 HA ASP 31 10.583 -5.433 5.444 244 1HB ASP 31 1HB ASP 31 12.323 -7.207 3.790 245 2HB ASP 31 2HB ASP 31 12.928 -6.878 5.381 246 H THR 32 H THR 32 11.239 -3.340 6.187 247 HA THR 32 HA THR 32 13.794 -2.199 5.305 248 HB THR 32 HB THR 32 13.156 -0.455 7.053 249 HG1 THR 32 HG1 THR 32 11.526 -1.041 8.227 250 1HG2 THR 32 1HG2 THR 32 11.619 0.630 5.514 251 2HG2 THR 32 2HG2 THR 32 12.826 -0.254 4.577 252 3HG2 THR 32 3HG2 THR 32 11.187 -0.932 4.785 253 H GLU 33 H GLU 33 14.829 -4.301 5.938 254 HA GLU 33 HA GLU 33 16.348 -4.068 8.342 255 1HB GLU 33 1HB GLU 33 14.318 -5.399 9.145 256 2HB GLU 33 2HB GLU 33 14.588 -6.537 7.772 257 1HG GLU 33 1HG GLU 33 16.596 -7.335 8.663 258 2HG GLU 33 2HG GLU 33 16.820 -5.872 9.617 259 H SER 34 H SER 34 15.626 -6.245 5.619 260 HA SER 34 HA SER 34 18.523 -5.886 5.309 261 1HB SER 34 1HB SER 34 16.793 -8.400 5.397 262 2HB SER 34 2HB SER 34 18.394 -8.494 4.640 263 HG SER 34 HG SER 34 19.329 -7.874 6.529 264 H GLY 35 H GLY 35 16.404 -4.586 3.866 265 1HA GLY 35 1HA GLY 35 15.825 -3.869 1.814 266 2HA GLY 35 2HA GLY 35 17.319 -4.474 1.191 267 H ASN 36 H ASN 36 15.276 -6.931 2.601 268 HA ASN 36 HA ASN 36 14.940 -8.237 0.039 269 1HB ASN 36 1HB ASN 36 15.210 -9.482 2.219 270 2HB ASN 36 2HB ASN 36 13.631 -8.863 2.721 271 1HD2 ASN 36 1HD2 ASN 36 15.078 -10.575 -0.165 272 2HD2 ASN 36 2HD2 ASN 36 13.774 -11.704 -0.295 273 H VAL 37 H VAL 37 13.080 -8.376 -1.148 274 HA VAL 37 HA VAL 37 10.704 -6.923 -0.272 275 HB VAL 37 HB VAL 37 11.312 -6.912 -3.205 276 1HG1 VAL 37 1HG1 VAL 37 10.142 -4.899 -1.237 277 2HG1 VAL 37 2HG1 VAL 37 10.250 -4.673 -2.984 278 3HG1 VAL 37 3HG1 VAL 37 9.223 -5.956 -2.325 279 1HG2 VAL 37 1HG2 VAL 37 12.561 -4.722 -2.995 280 2HG2 VAL 37 2HG2 VAL 37 12.858 -5.127 -1.291 281 3HG2 VAL 37 3HG2 VAL 37 13.490 -6.175 -2.558 282 H GLU 38 H GLU 38 8.789 -7.698 -1.407 283 HA GLU 38 HA GLU 38 8.935 -10.373 -2.651 284 1HB GLU 38 1HB GLU 38 8.405 -10.797 -0.277 285 2HB GLU 38 2HB GLU 38 7.257 -9.469 -0.253 286 1HG GLU 38 1HG GLU 38 5.941 -11.392 -0.310 287 2HG GLU 38 2HG GLU 38 5.846 -10.743 -1.926 288 H VAL 39 H VAL 39 7.384 -10.416 -4.375 289 HA VAL 39 HA VAL 39 5.537 -8.090 -4.549 290 HB VAL 39 HB VAL 39 6.291 -9.987 -6.801 291 1HG1 VAL 39 1HG1 VAL 39 4.075 -9.021 -7.057 292 2HG1 VAL 39 2HG1 VAL 39 4.649 -7.406 -6.614 293 3HG1 VAL 39 3HG1 VAL 39 5.178 -8.145 -8.122 294 1HG2 VAL 39 1HG2 VAL 39 7.315 -7.174 -6.211 295 2HG2 VAL 39 2HG2 VAL 39 8.278 -8.662 -6.279 296 3HG2 VAL 39 3HG2 VAL 39 7.533 -8.035 -7.748 297 H VAL 40 H VAL 40 3.648 -8.552 -3.748 298 HA VAL 40 HA VAL 40 2.418 -11.234 -3.917 299 HB VAL 40 HB VAL 40 1.936 -8.651 -2.434 300 1HG1 VAL 40 1HG1 VAL 40 -0.374 -9.301 -1.843 301 2HG1 VAL 40 2HG1 VAL 40 -0.223 -8.914 -3.566 302 3HG1 VAL 40 3HG1 VAL 40 -0.285 -10.611 -3.041 303 1HG2 VAL 40 1HG2 VAL 40 3.023 -10.578 -1.322 304 2HG2 VAL 40 2HG2 VAL 40 1.493 -10.144 -0.559 305 3HG2 VAL 40 3HG2 VAL 40 1.581 -11.563 -1.625 306 H GLU 41 H GLU 41 1.123 -11.595 -5.568 307 HA GLU 41 HA GLU 41 0.064 -9.477 -7.390 308 1HB GLU 41 1HB GLU 41 0.928 -11.625 -8.397 309 2HB GLU 41 2HB GLU 41 -0.168 -12.539 -7.360 310 1HG GLU 41 1HG GLU 41 -2.096 -11.281 -8.484 311 2HG GLU 41 2HG GLU 41 -0.914 -10.679 -9.651 312 H ASN 42 H ASN 42 -2.166 -8.815 -6.995 313 HA ASN 42 HA ASN 42 -3.785 -10.746 -5.556 314 1HB ASN 42 1HB ASN 42 -2.784 -9.147 -3.784 315 2HB ASN 42 2HB ASN 42 -3.879 -7.950 -4.493 316 1HD2 ASN 42 1HD2 ASN 42 -3.612 -10.782 -2.429 317 2HD2 ASN 42 2HD2 ASN 42 -5.316 -10.970 -2.110 318 H THR 43 H THR 43 -5.754 -10.833 -6.332 319 HA THR 43 HA THR 43 -6.122 -9.226 -8.746 320 HB THR 43 HB THR 43 -7.487 -11.243 -9.387 321 HG1 THR 43 HG1 THR 43 -6.420 -12.411 -7.026 322 1HG2 THR 43 1HG2 THR 43 -5.040 -11.035 -9.883 323 2HG2 THR 43 2HG2 THR 43 -4.674 -11.898 -8.389 324 3HG2 THR 43 3HG2 THR 43 -5.567 -12.712 -9.684 325 H ILE 44 H ILE 44 -7.002 -7.616 -6.705 326 HA ILE 44 HA ILE 44 -9.803 -8.004 -6.126 327 HB ILE 44 HB ILE 44 -9.418 -5.594 -5.217 328 1HG1 ILE 44 1HG1 ILE 44 -7.120 -5.531 -6.579 329 2HG1 ILE 44 2HG1 ILE 44 -7.406 -4.636 -5.132 330 1HG2 ILE 44 1HG2 ILE 44 -8.145 -8.044 -4.023 331 2HG2 ILE 44 2HG2 ILE 44 -8.499 -6.542 -3.142 332 3HG2 ILE 44 3HG2 ILE 44 -9.814 -7.482 -3.847 333 1HD1 ILE 44 1HD1 ILE 44 -6.074 -7.338 -5.141 334 2HD1 ILE 44 2HD1 ILE 44 -5.225 -5.807 -5.117 335 3HD1 ILE 44 3HD1 ILE 44 -6.234 -6.251 -3.743 336 H ALA 45 H ALA 45 -9.455 -8.025 -8.883 337 HA ALA 45 HA ALA 45 -10.248 -5.447 -10.012 338 1HB ALA 45 1HB ALA 45 -9.945 -8.191 -11.324 339 2HB ALA 45 2HB ALA 45 -9.945 -6.591 -12.110 340 3HB ALA 45 3HB ALA 45 -8.602 -7.045 -11.073 341 H ASP 46 H ASP 46 -12.111 -6.270 -8.111 342 HA ASP 46 HA ASP 46 -14.566 -6.278 -9.584 343 1HB ASP 46 1HB ASP 46 -13.881 -8.798 -9.308 344 2HB ASP 46 2HB ASP 46 -14.296 -8.582 -7.617 345 H ALA 47 H ALA 47 -16.380 -6.344 -7.600 346 HA ALA 47 HA ALA 47 -15.355 -4.564 -5.426 347 1HB ALA 47 1HB ALA 47 -16.403 -3.284 -7.252 348 2HB ALA 47 2HB ALA 47 -17.882 -4.259 -7.101 349 3HB ALA 47 3HB ALA 47 -17.367 -3.212 -5.763 350 H HIS 48 H HIS 48 -15.281 -6.565 -4.148 351 HA HIS 48 HA HIS 48 -17.711 -6.959 -2.666 352 1HB HIS 48 1HB HIS 48 -17.865 -9.423 -3.063 353 2HB HIS 48 2HB HIS 48 -18.240 -8.480 -4.487 354 HD1 HIS 48 HD1 HIS 48 -17.379 -9.862 -6.478 355 HD2 HIS 48 HD2 HIS 48 -14.772 -9.811 -3.158 356 HE1 HIS 48 HE1 HIS 48 -15.350 -11.301 -7.090 357 H GLY 49 H GLY 49 -17.322 -8.701 -0.934 358 1HA GLY 49 1HA GLY 49 -15.488 -10.161 0.033 359 2HA GLY 49 2HA GLY 49 -14.443 -8.722 -0.050 360 H THR 50 H THR 50 -16.846 -10.396 1.857 361 HA THR 50 HA THR 50 -17.704 -8.035 3.301 362 HB THR 50 HB THR 50 -18.816 -9.674 4.763 363 HG1 THR 50 HG1 THR 50 -18.708 -11.825 4.292 364 1HG2 THR 50 1HG2 THR 50 -20.392 -10.518 3.136 365 2HG2 THR 50 2HG2 THR 50 -19.804 -8.962 2.507 366 3HG2 THR 50 3HG2 THR 50 -19.187 -10.472 1.841 367 H GLY 51 H GLY 51 -14.842 -9.939 3.359 368 1HA GLY 51 1HA GLY 51 -13.872 -8.419 5.684 369 2HA GLY 51 2HA GLY 51 -13.415 -10.122 5.449 370 HA PRO 52 HA PRO 52 -10.759 -6.902 3.132 371 1HB PRO 52 1HB PRO 52 -8.324 -7.503 4.122 372 2HB PRO 52 2HB PRO 52 -9.495 -6.499 4.987 373 1HG PRO 52 1HG PRO 52 -8.948 -9.454 5.378 374 2HG PRO 52 2HG PRO 52 -9.019 -8.214 6.634 375 1HD PRO 52 1HD PRO 52 -11.225 -9.673 6.126 376 2HD PRO 52 2HD PRO 52 -11.375 -7.917 6.418 377 H LYS 53 H LYS 53 -9.871 -10.411 3.573 378 HA LYS 53 HA LYS 53 -8.502 -11.732 2.404 379 1HB LYS 53 1HB LYS 53 -9.585 -12.315 0.646 380 2HB LYS 53 2HB LYS 53 -10.343 -10.757 0.449 381 1HG LYS 53 1HG LYS 53 -7.572 -11.224 -0.674 382 2HG LYS 53 2HG LYS 53 -8.974 -11.898 -1.475 383 1HD LYS 53 1HD LYS 53 -8.722 -8.922 -0.857 384 2HD LYS 53 2HD LYS 53 -8.246 -9.657 -2.359 385 1HE LYS 53 1HE LYS 53 -11.058 -9.774 -1.158 386 2HE LYS 53 2HE LYS 53 -10.508 -8.530 -2.258 387 1HZ LYS 53 1HZ LYS 53 -9.905 -10.376 -3.855 388 2HZ LYS 53 2HZ LYS 53 -10.727 -11.427 -2.920 389 3HZ LYS 53 3HZ LYS 53 -11.507 -10.186 -3.644 390 H VAL 54 H VAL 54 -8.054 -8.557 0.784 391 HA VAL 54 HA VAL 54 -5.363 -9.093 0.161 392 HB VAL 54 HB VAL 54 -6.406 -7.574 -1.209 393 1HG1 VAL 54 1HG1 VAL 54 -8.334 -6.810 0.015 394 2HG1 VAL 54 2HG1 VAL 54 -7.313 -5.767 1.026 395 3HG1 VAL 54 3HG1 VAL 54 -7.486 -5.482 -0.705 396 1HG2 VAL 54 1HG2 VAL 54 -4.094 -6.882 -0.637 397 2HG2 VAL 54 2HG2 VAL 54 -5.127 -5.543 -1.185 398 3HG2 VAL 54 3HG2 VAL 54 -4.754 -5.724 0.540 399 H VAL 55 H VAL 55 -6.646 -6.764 2.549 400 HA VAL 55 HA VAL 55 -4.287 -6.355 4.109 401 HB VAL 55 HB VAL 55 -7.002 -6.333 5.380 402 1HG1 VAL 55 1HG1 VAL 55 -5.081 -5.478 6.552 403 2HG1 VAL 55 2HG1 VAL 55 -4.770 -4.302 5.251 404 3HG1 VAL 55 3HG1 VAL 55 -6.244 -4.186 6.215 405 1HG2 VAL 55 1HG2 VAL 55 -7.517 -4.098 4.259 406 2HG2 VAL 55 2HG2 VAL 55 -6.275 -4.486 3.054 407 3HG2 VAL 55 3HG2 VAL 55 -7.727 -5.503 3.216 408 H GLN 56 H GLN 56 -6.812 -8.890 4.603 409 HA GLN 56 HA GLN 56 -5.676 -10.126 6.714 410 1HB GLN 56 1HB GLN 56 -7.402 -10.971 4.536 411 2HB GLN 56 2HB GLN 56 -6.404 -12.299 5.087 412 1HG GLN 56 1HG GLN 56 -7.870 -10.511 7.068 413 2HG GLN 56 2HG GLN 56 -8.703 -11.823 6.237 414 1HE2 GLN 56 1HE2 GLN 56 -7.360 -11.237 9.207 415 2HE2 GLN 56 2HE2 GLN 56 -6.808 -12.864 9.540 416 H SER 57 H SER 57 -4.661 -10.711 3.262 417 HA SER 57 HA SER 57 -2.495 -12.420 3.959 418 1HB SER 57 1HB SER 57 -3.619 -12.317 1.712 419 2HB SER 57 2HB SER 57 -2.916 -10.697 1.477 420 HG SER 57 HG SER 57 -1.214 -12.870 2.063 421 H LEU 58 H LEU 58 -2.522 -8.918 3.092 422 HA LEU 58 HA LEU 58 0.309 -8.663 3.156 423 1HB LEU 58 1HB LEU 58 -1.880 -6.621 3.628 424 2HB LEU 58 2HB LEU 58 -0.185 -6.218 3.355 425 HG LEU 58 HG LEU 58 -2.004 -7.617 1.335 426 1HD1 LEU 58 1HD1 LEU 58 -2.591 -5.256 1.705 427 2HD1 LEU 58 2HD1 LEU 58 -0.908 -4.786 1.388 428 3HD1 LEU 58 3HD1 LEU 58 -1.899 -5.510 0.091 429 1HD2 LEU 58 1HD2 LEU 58 -0.237 -7.259 -0.281 430 2HD2 LEU 58 2HD2 LEU 58 0.831 -6.601 0.986 431 3HD2 LEU 58 3HD2 LEU 58 0.307 -8.312 1.007 432 H VAL 59 H VAL 59 -2.103 -8.165 5.735 433 HA VAL 59 HA VAL 59 -0.324 -7.518 7.864 434 HB VAL 59 HB VAL 59 -3.092 -8.673 7.503 435 1HG1 VAL 59 1HG1 VAL 59 -2.256 -9.737 9.610 436 2HG1 VAL 59 2HG1 VAL 59 -1.907 -8.120 10.252 437 3HG1 VAL 59 3HG1 VAL 59 -3.585 -8.588 9.854 438 1HG2 VAL 59 1HG2 VAL 59 -2.071 -6.113 8.758 439 2HG2 VAL 59 2HG2 VAL 59 -2.777 -6.303 7.130 440 3HG2 VAL 59 3HG2 VAL 59 -3.784 -6.587 8.558 441 H SER 60 H SER 60 -1.137 -10.687 6.336 442 HA SER 60 HA SER 60 0.032 -12.275 8.427 443 1HB SER 60 1HB SER 60 -1.652 -13.049 6.653 444 2HB SER 60 2HB SER 60 -0.310 -13.020 5.501 445 HG SER 60 HG SER 60 0.780 -14.495 6.912 446 H LYS 61 H LYS 61 1.181 -10.496 5.574 447 HA LYS 61 HA LYS 61 3.982 -11.477 5.862 448 1HB LYS 61 1HB LYS 61 2.576 -9.601 3.897 449 2HB LYS 61 2HB LYS 61 4.319 -9.760 3.981 450 1HG LYS 61 1HG LYS 61 4.237 -11.385 2.538 451 2HG LYS 61 2HG LYS 61 3.541 -12.394 3.822 452 1HD LYS 61 1HD LYS 61 1.328 -12.016 3.052 453 2HD LYS 61 2HD LYS 61 1.816 -10.697 1.981 454 1HE LYS 61 1HE LYS 61 1.299 -12.873 0.816 455 2HE LYS 61 2HE LYS 61 2.878 -12.172 0.442 456 1HZ LYS 61 1HZ LYS 61 2.509 -14.326 2.422 457 2HZ LYS 61 2HZ LYS 61 2.918 -14.565 0.833 458 3HZ LYS 61 3HZ LYS 61 3.937 -13.754 1.791 459 H GLY 62 H GLY 62 2.690 -10.234 8.089 460 1HA GLY 62 1HA GLY 62 3.071 -8.745 9.690 461 2HA GLY 62 2HA GLY 62 4.750 -8.865 9.139 462 H VAL 63 H VAL 63 2.389 -7.315 6.996 463 HA VAL 63 HA VAL 63 4.021 -5.029 6.793 464 HB VAL 63 HB VAL 63 1.173 -5.696 5.914 465 1HG1 VAL 63 1HG1 VAL 63 1.228 -3.850 4.352 466 2HG1 VAL 63 2HG1 VAL 63 1.383 -3.214 5.985 467 3HG1 VAL 63 3HG1 VAL 63 2.831 -3.354 4.954 468 1HG2 VAL 63 1HG2 VAL 63 3.763 -5.441 4.325 469 2HG2 VAL 63 2HG2 VAL 63 3.080 -6.980 4.850 470 3HG2 VAL 63 3HG2 VAL 63 2.191 -5.981 3.700 471 H GLU 64 H GLU 64 4.288 -3.401 8.191 472 HA GLU 64 HA GLU 64 1.931 -2.476 9.849 473 1HB GLU 64 1HB GLU 64 4.921 -2.412 10.452 474 2HB GLU 64 2HB GLU 64 3.659 -1.720 11.462 475 1HG GLU 64 1HG GLU 64 2.667 -4.035 11.691 476 2HG GLU 64 2HG GLU 64 4.026 -4.660 10.819 477 H TYR 65 H TYR 65 2.498 -1.430 7.078 478 HA TYR 65 HA TYR 65 2.838 1.262 7.454 479 1HB TYR 65 1HB TYR 65 5.241 -0.297 6.555 480 2HB TYR 65 2HB TYR 65 4.937 1.309 5.979 481 HD1 TYR 65 HD1 TYR 65 4.722 3.295 7.487 482 HD2 TYR 65 HD2 TYR 65 6.468 -0.475 8.458 483 HE1 TYR 65 HE1 TYR 65 6.076 4.416 9.254 484 HE2 TYR 65 HE2 TYR 65 7.706 0.594 10.400 485 HH TYR 65 HH TYR 65 7.905 4.034 10.911 486 H LEU 66 H LEU 66 2.730 2.160 5.268 487 HA LEU 66 HA LEU 66 2.459 0.461 2.931 488 1HB LEU 66 1HB LEU 66 0.311 -0.014 3.977 489 2HB LEU 66 2HB LEU 66 0.112 1.693 4.360 490 HG LEU 66 HG LEU 66 -0.204 2.347 2.221 491 1HD1 LEU 66 1HD1 LEU 66 -0.780 0.355 0.456 492 2HD1 LEU 66 2HD1 LEU 66 0.792 1.121 0.549 493 3HD1 LEU 66 3HD1 LEU 66 0.513 -0.419 1.396 494 1HD2 LEU 66 1HD2 LEU 66 -2.157 1.519 3.498 495 2HD2 LEU 66 2HD2 LEU 66 -2.425 1.336 1.770 496 3HD2 LEU 66 3HD2 LEU 66 -1.980 -0.072 2.765 497 H ILE 67 H ILE 67 2.540 1.816 1.073 498 HA ILE 67 HA ILE 67 2.516 4.770 1.548 499 HB ILE 67 HB ILE 67 4.144 3.020 -0.399 500 1HG1 ILE 67 1HG1 ILE 67 5.221 5.026 1.698 501 2HG1 ILE 67 2HG1 ILE 67 4.907 3.382 2.170 502 1HG2 ILE 67 1HG2 ILE 67 3.809 6.057 -0.178 503 2HG2 ILE 67 2HG2 ILE 67 5.278 5.374 -0.856 504 3HG2 ILE 67 3HG2 ILE 67 3.722 5.014 -1.628 505 1HD1 ILE 67 1HD1 ILE 67 6.908 4.150 0.040 506 2HD1 ILE 67 2HD1 ILE 67 7.248 3.638 1.700 507 3HD1 ILE 67 3HD1 ILE 67 6.514 2.503 0.569 508 H ALA 68 H ALA 68 0.457 5.317 0.944 509 HA ALA 68 HA ALA 68 -0.502 4.431 -1.659 510 1HB ALA 68 1HB ALA 68 -1.149 2.525 -0.277 511 2HB ALA 68 2HB ALA 68 -1.938 3.598 0.889 512 3HB ALA 68 3HB ALA 68 -2.561 3.486 -0.774 513 H SER 69 H SER 69 -0.929 6.437 -2.242 514 HA SER 69 HA SER 69 -1.688 8.767 -0.890 515 1HB SER 69 1HB SER 69 -2.335 9.620 -3.001 516 2HB SER 69 2HB SER 69 -1.020 8.486 -3.318 517 HG SER 69 HG SER 69 -3.168 8.540 -4.511 518 H ASN 70 H ASN 70 -3.842 6.008 -1.682 519 HA ASN 70 HA ASN 70 -5.889 7.213 -0.159 520 1HB ASN 70 1HB ASN 70 -5.877 8.079 -2.857 521 2HB ASN 70 2HB ASN 70 -6.959 6.697 -2.917 522 1HD2 ASN 70 1HD2 ASN 70 -6.213 9.560 -0.869 523 2HD2 ASN 70 2HD2 ASN 70 -7.890 9.990 -0.525 524 H VAL 71 H VAL 71 -8.026 5.595 -1.097 525 HA VAL 71 HA VAL 71 -6.916 2.899 -1.214 526 HB VAL 71 HB VAL 71 -7.354 3.682 1.130 527 1HG1 VAL 71 1HG1 VAL 71 -9.535 3.757 2.034 528 2HG1 VAL 71 2HG1 VAL 71 -9.487 4.936 0.716 529 3HG1 VAL 71 3HG1 VAL 71 -10.288 3.379 0.465 530 1HG2 VAL 71 1HG2 VAL 71 -7.272 1.303 0.380 531 2HG2 VAL 71 2HG2 VAL 71 -8.056 1.657 1.910 532 3HG2 VAL 71 3HG2 VAL 71 -9.022 1.298 0.445 533 H GLY 72 H GLY 72 -8.591 1.431 -2.159 534 1HA GLY 72 1HA GLY 72 -9.914 2.865 -4.353 535 2HA GLY 72 2HA GLY 72 -9.829 1.124 -4.150 536 H ARG 73 H ARG 73 -10.779 1.079 -1.345 537 HA ARG 73 HA ARG 73 -13.139 2.457 -0.854 538 1HB ARG 73 1HB ARG 73 -13.870 0.889 -2.859 539 2HB ARG 73 2HB ARG 73 -13.739 -0.399 -1.678 540 1HG ARG 73 1HG ARG 73 -15.260 1.430 -0.271 541 2HG ARG 73 2HG ARG 73 -15.708 1.846 -1.925 542 1HD ARG 73 1HD ARG 73 -16.411 -0.424 -2.379 543 2HD ARG 73 2HD ARG 73 -15.784 -0.997 -0.817 544 HE ARG 73 HE ARG 73 -17.417 0.750 0.174 545 1HH1 ARG 73 2HH2 ARG 73 -18.054 -1.632 -2.312 546 2HH1 ARG 73 1HH2 ARG 73 -19.780 -1.486 -2.274 547 1HH2 ARG 73 2HH1 ARG 73 -19.666 1.136 0.179 548 2HH2 ARG 73 1HH1 ARG 73 -20.728 0.156 -0.784 549 H ASN 74 H ASN 74 -14.279 -0.092 0.506 550 HA ASN 74 HA ASN 74 -13.175 0.228 3.010 551 1HB ASN 74 1HB ASN 74 -15.376 -0.858 2.454 552 2HB ASN 74 2HB ASN 74 -14.498 -2.326 2.043 553 1HD2 ASN 74 1HD2 ASN 74 -16.360 -1.235 4.485 554 2HD2 ASN 74 2HD2 ASN 74 -15.419 -1.734 5.873 555 H ALA 75 H ALA 75 -11.144 0.003 3.449 556 HA ALA 75 HA ALA 75 -9.944 -2.549 3.871 557 1HB ALA 75 1HB ALA 75 -7.890 -2.285 2.578 558 2HB ALA 75 2HB ALA 75 -9.273 -2.347 1.477 559 3HB ALA 75 3HB ALA 75 -8.498 -0.786 1.845 560 H PHE 76 H PHE 76 -9.738 1.003 3.700 561 HA PHE 76 HA PHE 76 -7.547 1.631 5.268 562 1HB PHE 76 1HB PHE 76 -8.691 3.308 4.120 563 2HB PHE 76 2HB PHE 76 -10.249 2.873 4.794 564 HD1 PHE 76 HD1 PHE 76 -11.036 3.810 6.898 565 HD2 PHE 76 HD2 PHE 76 -7.016 4.581 5.552 566 HE1 PHE 76 HE1 PHE 76 -10.967 5.863 8.281 567 HE2 PHE 76 HE2 PHE 76 -6.984 6.688 6.860 568 HZ PHE 76 HZ PHE 76 -9.008 7.349 8.210 569 H GLU 77 H GLU 77 -10.793 0.637 6.392 570 HA GLU 77 HA GLU 77 -10.325 1.180 9.148 571 1HB GLU 77 1HB GLU 77 -12.254 -0.749 7.797 572 2HB GLU 77 2HB GLU 77 -12.312 -0.224 9.492 573 1HG GLU 77 1HG GLU 77 -12.584 2.151 8.706 574 2HG GLU 77 2HG GLU 77 -12.626 1.583 7.036 575 H THR 78 H THR 78 -9.625 -1.648 7.028 576 HA THR 78 HA THR 78 -8.889 -3.307 9.266 577 HB THR 78 HB THR 78 -8.462 -3.938 6.301 578 HG1 THR 78 HG1 THR 78 -10.543 -4.282 6.066 579 1HG2 THR 78 1HG2 THR 78 -9.103 -6.184 7.158 580 2HG2 THR 78 2HG2 THR 78 -7.583 -5.590 7.859 581 3HG2 THR 78 3HG2 THR 78 -9.081 -5.553 8.807 582 H LEU 79 H LEU 79 -7.368 -0.848 7.452 583 HA LEU 79 HA LEU 79 -4.618 -1.805 7.798 584 1HB LEU 79 1HB LEU 79 -5.729 0.940 7.131 585 2HB LEU 79 2HB LEU 79 -4.020 0.613 7.324 586 HG LEU 79 HG LEU 79 -5.678 -1.067 5.417 587 1HD1 LEU 79 1HD1 LEU 79 -5.155 1.759 5.027 588 2HD1 LEU 79 2HD1 LEU 79 -4.322 0.785 3.804 589 3HD1 LEU 79 3HD1 LEU 79 -6.054 0.594 4.042 590 1HD2 LEU 79 1HD2 LEU 79 -3.466 -1.389 4.326 591 2HD2 LEU 79 2HD2 LEU 79 -2.719 -0.404 5.592 592 3HD2 LEU 79 3HD2 LEU 79 -3.503 -1.946 5.982 593 H LYS 80 H LYS 80 -6.598 0.688 9.411 594 HA LYS 80 HA LYS 80 -4.758 0.981 11.567 595 1HB LYS 80 1HB LYS 80 -6.800 2.066 12.623 596 2HB LYS 80 2HB LYS 80 -6.040 2.752 11.197 597 1HG LYS 80 1HG LYS 80 -8.052 1.340 10.034 598 2HG LYS 80 2HG LYS 80 -8.777 1.663 11.595 599 1HD LYS 80 1HD LYS 80 -9.341 3.348 9.876 600 2HD LYS 80 2HD LYS 80 -8.530 4.061 11.254 601 1HE LYS 80 1HE LYS 80 -6.921 3.321 8.815 602 2HE LYS 80 2HE LYS 80 -7.952 4.750 8.815 603 1HZ LYS 80 1HZ LYS 80 -5.422 4.422 10.065 604 2HZ LYS 80 2HZ LYS 80 -6.269 5.827 9.787 605 3HZ LYS 80 3HZ LYS 80 -6.538 4.939 11.134 606 H ALA 81 H ALA 81 -7.495 -1.200 11.121 607 HA ALA 81 HA ALA 81 -7.705 -2.254 13.669 608 1HB ALA 81 1HB ALA 81 -9.032 -3.069 11.742 609 2HB ALA 81 2HB ALA 81 -7.593 -3.927 11.114 610 3HB ALA 81 3HB ALA 81 -8.316 -4.392 12.664 611 H ALA 82 H ALA 82 -4.950 -2.782 11.377 612 HA ALA 82 HA ALA 82 -3.607 -4.390 13.513 613 1HB ALA 82 1HB ALA 82 -2.134 -5.018 11.462 614 2HB ALA 82 2HB ALA 82 -3.791 -5.622 11.424 615 3HB ALA 82 3HB ALA 82 -3.356 -4.200 10.489 616 H GLY 83 H GLY 83 -3.834 -1.430 13.617 617 1HA GLY 83 1HA GLY 83 -2.583 0.448 13.902 618 2HA GLY 83 2HA GLY 83 -1.360 -0.648 14.553 619 H VAL 84 H VAL 84 -2.378 -0.486 11.090 620 HA VAL 84 HA VAL 84 0.453 -0.351 10.434 621 HB VAL 84 HB VAL 84 -1.975 -0.734 8.631 622 1HG1 VAL 84 1HG1 VAL 84 -0.625 -1.435 6.955 623 2HG1 VAL 84 2HG1 VAL 84 0.555 -0.395 7.770 624 3HG1 VAL 84 3HG1 VAL 84 0.595 -2.125 8.039 625 1HG2 VAL 84 1HG2 VAL 84 -1.364 -3.214 8.884 626 2HG2 VAL 84 2HG2 VAL 84 -0.351 -2.741 10.252 627 3HG2 VAL 84 3HG2 VAL 84 -2.102 -2.446 10.266 628 H LYS 85 H LYS 85 1.569 1.349 9.682 629 HA LYS 85 HA LYS 85 0.251 3.903 9.619 630 1HB LYS 85 1HB LYS 85 3.016 2.857 9.726 631 2HB LYS 85 2HB LYS 85 2.896 4.236 8.649 632 1HG LYS 85 1HG LYS 85 1.634 5.463 10.500 633 2HG LYS 85 2HG LYS 85 2.084 4.106 11.551 634 1HD LYS 85 1HD LYS 85 4.515 4.601 11.021 635 2HD LYS 85 2HD LYS 85 3.963 5.998 10.066 636 1HE LYS 85 1HE LYS 85 4.510 6.924 12.178 637 2HE LYS 85 2HE LYS 85 2.756 6.807 12.159 638 1HZ LYS 85 1HZ LYS 85 3.081 4.601 13.352 639 2HZ LYS 85 2HZ LYS 85 4.651 5.044 13.596 640 3HZ LYS 85 3HZ LYS 85 3.418 5.941 14.196 641 H VAL 86 H VAL 86 -0.699 4.829 7.803 642 HA VAL 86 HA VAL 86 -0.058 3.703 5.070 643 HB VAL 86 HB VAL 86 -2.511 5.284 5.959 644 1HG1 VAL 86 1HG1 VAL 86 -3.378 4.391 3.727 645 2HG1 VAL 86 2HG1 VAL 86 -2.052 5.559 3.581 646 3HG1 VAL 86 3HG1 VAL 86 -1.705 3.851 3.372 647 1HG2 VAL 86 1HG2 VAL 86 -2.364 2.291 5.413 648 2HG2 VAL 86 2HG2 VAL 86 -2.423 2.965 7.020 649 3HG2 VAL 86 3HG2 VAL 86 -3.779 3.239 5.917 650 H TYR 87 H TYR 87 1.326 5.061 3.983 651 HA TYR 87 HA TYR 87 1.455 7.916 4.702 652 1HB TYR 87 1HB TYR 87 3.187 5.949 3.248 653 2HB TYR 87 2HB TYR 87 3.316 7.602 2.747 654 HD1 TYR 87 HD1 TYR 87 3.575 5.300 5.713 655 HD2 TYR 87 HD2 TYR 87 4.571 9.135 4.047 656 HE1 TYR 87 HE1 TYR 87 5.173 5.723 7.585 657 HE2 TYR 87 HE2 TYR 87 6.183 9.542 5.790 658 HH TYR 87 HH TYR 87 7.658 7.660 7.294 659 H ARG 88 H ARG 88 1.438 9.455 2.977 660 HA ARG 88 HA ARG 88 -0.440 8.823 0.769 661 1HB ARG 88 1HB ARG 88 -0.432 11.095 2.000 662 2HB ARG 88 2HB ARG 88 1.147 11.385 1.271 663 1HG ARG 88 1HG ARG 88 0.252 12.067 -0.673 664 2HG ARG 88 2HG ARG 88 -0.678 10.613 -0.826 665 1HD ARG 88 1HD ARG 88 -2.429 12.023 -0.735 666 2HD ARG 88 2HD ARG 88 -2.269 11.805 0.979 667 HE ARG 88 HE ARG 88 -1.323 13.962 1.209 668 1HH1 ARG 88 2HH2 ARG 88 -2.282 13.308 -2.174 669 2HH1 ARG 88 1HH2 ARG 88 -1.603 14.752 -2.812 670 1HH2 ARG 88 2HH1 ARG 88 -0.564 16.042 0.397 671 2HH2 ARG 88 1HH1 ARG 88 -0.773 16.374 -1.287 672 H PHE 89 H PHE 89 0.333 8.928 -1.432 673 HA PHE 89 HA PHE 89 3.069 9.703 -1.924 674 1HB PHE 89 1HB PHE 89 3.784 7.682 -2.540 675 2HB PHE 89 2HB PHE 89 2.224 6.964 -2.258 676 HD1 PHE 89 HD1 PHE 89 0.389 7.309 -4.064 677 HD2 PHE 89 HD2 PHE 89 4.645 7.397 -4.935 678 HE1 PHE 89 HE1 PHE 89 -0.093 7.000 -6.476 679 HE2 PHE 89 HE2 PHE 89 4.147 6.906 -7.171 680 HZ PHE 89 HZ PHE 89 1.801 6.776 -8.065 681 H GLU 90 H GLU 90 3.082 10.349 -4.454 682 HA GLU 90 HA GLU 90 0.414 10.959 -5.507 683 1HB GLU 90 1HB GLU 90 1.005 12.785 -3.728 684 2HB GLU 90 2HB GLU 90 2.112 13.397 -4.941 685 1HG GLU 90 1HG GLU 90 0.107 13.454 -6.562 686 2HG GLU 90 2HG GLU 90 -0.909 12.987 -5.200 687 H GLY 91 H GLY 91 2.217 9.352 -6.712 688 1HA GLY 91 1HA GLY 91 1.960 9.192 -9.073 689 2HA GLY 91 2HA GLY 91 2.394 10.884 -9.264 690 H GLY 92 H GLY 92 3.571 7.625 -9.276 691 1HA GLY 92 1HA GLY 92 6.352 8.156 -9.799 692 2HA GLY 92 2HA GLY 92 5.989 7.776 -8.111 693 H THR 93 H THR 93 7.537 6.056 -9.763 694 HA THR 93 HA THR 93 5.857 3.689 -10.102 695 HB THR 93 HB THR 93 8.122 2.696 -10.639 696 HG1 THR 93 HG1 THR 93 9.807 4.275 -10.969 697 1HG2 THR 93 1HG2 THR 93 7.139 5.050 -12.277 698 2HG2 THR 93 2HG2 THR 93 8.350 3.875 -12.850 699 3HG2 THR 93 3HG2 THR 93 6.698 3.353 -12.475 700 H VAL 94 H VAL 94 6.681 1.649 -8.981 701 HA VAL 94 HA VAL 94 6.523 1.681 -6.325 702 HB VAL 94 HB VAL 94 8.298 -0.206 -7.895 703 1HG1 VAL 94 1HG1 VAL 94 7.933 -1.791 -6.135 704 2HG1 VAL 94 2HG1 VAL 94 8.699 -0.374 -5.434 705 3HG1 VAL 94 3HG1 VAL 94 6.956 -0.631 -5.192 706 1HG2 VAL 94 1HG2 VAL 94 6.256 -1.653 -7.857 707 2HG2 VAL 94 2HG2 VAL 94 5.348 -0.308 -7.123 708 3HG2 VAL 94 3HG2 VAL 94 5.996 -0.177 -8.765 709 H GLN 95 H GLN 95 9.764 2.211 -7.902 710 HA GLN 95 HA GLN 95 11.030 2.446 -5.399 711 1HB GLN 95 1HB GLN 95 11.988 2.389 -7.939 712 2HB GLN 95 2HB GLN 95 12.033 4.155 -7.654 713 1HG GLN 95 1HG GLN 95 13.540 3.958 -5.843 714 2HG GLN 95 2HG GLN 95 13.301 2.215 -5.731 715 1HE2 GLN 95 1HE2 GLN 95 15.403 4.620 -7.041 716 2HE2 GLN 95 2HE2 GLN 95 16.235 3.538 -8.140 717 H GLU 96 H GLU 96 9.132 4.898 -7.004 718 HA GLU 96 HA GLU 96 10.476 7.209 -5.918 719 1HB GLU 96 1HB GLU 96 7.764 6.631 -7.145 720 2HB GLU 96 2HB GLU 96 8.204 8.255 -6.668 721 1HG GLU 96 1HG GLU 96 9.527 6.508 -8.806 722 2HG GLU 96 2HG GLU 96 8.409 7.822 -9.083 723 H ALA 97 H ALA 97 7.536 5.267 -5.189 724 HA ALA 97 HA ALA 97 6.673 6.549 -2.906 725 1HB ALA 97 1HB ALA 97 6.149 4.004 -2.257 726 2HB ALA 97 2HB ALA 97 5.374 4.733 -3.681 727 3HB ALA 97 3HB ALA 97 6.777 3.659 -3.842 728 H ILE 98 H ILE 98 9.442 4.308 -3.201 729 HA ILE 98 HA ILE 98 9.849 4.146 -0.303 730 HB ILE 98 HB ILE 98 11.838 3.339 -2.478 731 1HG1 ILE 98 1HG1 ILE 98 9.982 2.551 -3.299 732 2HG1 ILE 98 2HG1 ILE 98 10.806 1.116 -2.577 733 1HG2 ILE 98 1HG2 ILE 98 12.595 3.127 -0.093 734 2HG2 ILE 98 2HG2 ILE 98 11.200 2.072 0.245 735 3HG2 ILE 98 3HG2 ILE 98 12.466 1.551 -0.876 736 1HD1 ILE 98 1HD1 ILE 98 8.310 2.505 -1.458 737 2HD1 ILE 98 2HD1 ILE 98 8.447 0.925 -2.252 738 3HD1 ILE 98 3HD1 ILE 98 9.223 1.210 -0.665 739 H ASP 99 H ASP 99 11.545 5.495 -3.104 740 HA ASP 99 HA ASP 99 13.766 6.598 -1.800 741 1HB ASP 99 1HB ASP 99 13.448 6.091 -4.215 742 2HB ASP 99 2HB ASP 99 12.439 7.486 -4.415 743 H ALA 100 H ALA 100 10.516 7.631 -2.318 744 HA ALA 100 HA ALA 100 10.902 10.403 -1.400 745 1HB ALA 100 1HB ALA 100 8.344 8.750 -1.775 746 2HB ALA 100 2HB ALA 100 8.439 10.517 -1.471 747 3HB ALA 100 3HB ALA 100 9.055 9.821 -2.965 748 H PHE 101 H PHE 101 9.183 7.533 -0.058 749 HA PHE 101 HA PHE 101 8.591 8.527 2.472 750 1HB PHE 101 1HB PHE 101 7.532 6.609 1.759 751 2HB PHE 101 2HB PHE 101 9.022 5.800 1.263 752 HD1 PHE 101 HD1 PHE 101 6.607 6.148 3.945 753 HD2 PHE 101 HD2 PHE 101 10.505 4.696 2.825 754 HE1 PHE 101 HE1 PHE 101 6.611 4.604 5.896 755 HE2 PHE 101 HE2 PHE 101 10.576 3.305 4.901 756 HZ PHE 101 HZ PHE 101 8.577 3.209 6.384 757 H SER 102 H SER 102 11.513 6.934 1.368 758 HA SER 102 HA SER 102 12.611 6.379 3.973 759 1HB SER 102 1HB SER 102 14.626 5.741 2.717 760 2HB SER 102 2HB SER 102 13.119 4.988 2.067 761 HG SER 102 HG SER 102 13.181 6.332 0.374 762 H GLU 103 H GLU 103 13.390 8.856 1.430 763 HA GLU 103 HA GLU 103 14.973 10.398 3.383 764 1HB GLU 103 1HB GLU 103 14.030 10.919 0.516 765 2HB GLU 103 2HB GLU 103 15.249 11.879 1.361 766 1HG GLU 103 1HG GLU 103 15.737 8.891 1.035 767 2HG GLU 103 2HG GLU 103 15.894 9.918 -0.350 768 H GLY 104 H GLY 104 12.219 9.876 4.005 769 1HA GLY 104 1HA GLY 104 10.487 10.894 5.007 770 2HA GLY 104 2HA GLY 104 11.619 12.215 5.277 771 H ARG 105 H ARG 105 10.817 11.660 1.882 772 HA ARG 105 HA ARG 105 9.473 14.301 1.880 773 1HB ARG 105 1HB ARG 105 10.056 12.363 -0.415 774 2HB ARG 105 2HB ARG 105 9.513 14.018 -0.546 775 1HG ARG 105 1HG ARG 105 11.774 14.642 0.624 776 2HG ARG 105 2HG ARG 105 12.236 12.965 0.292 777 1HD ARG 105 1HD ARG 105 13.055 13.964 -1.620 778 2HD ARG 105 2HD ARG 105 11.443 13.532 -2.182 779 HE ARG 105 HE ARG 105 11.589 16.184 -0.955 780 1HH1 ARG 105 2HH2 ARG 105 12.353 14.571 -4.038 781 2HH1 ARG 105 1HH2 ARG 105 12.053 16.009 -4.968 782 1HH2 ARG 105 2HH1 ARG 105 11.382 18.002 -2.114 783 2HH2 ARG 105 1HH1 ARG 105 11.493 18.052 -3.845 784 H LEU 106 H LEU 106 7.903 11.989 3.113 785 HA LEU 106 HA LEU 106 5.603 12.276 1.304 786 1HB LEU 106 1HB LEU 106 6.482 9.724 2.698 787 2HB LEU 106 2HB LEU 106 4.881 9.977 2.072 788 HG LEU 106 HG LEU 106 7.441 9.665 0.503 789 1HD1 LEU 106 1HD1 LEU 106 6.531 7.631 -0.154 790 2HD1 LEU 106 2HD1 LEU 106 5.805 7.753 1.478 791 3HD1 LEU 106 3HD1 LEU 106 4.875 8.139 0.045 792 1HD2 LEU 106 1HD2 LEU 106 4.688 10.479 -0.536 793 2HD2 LEU 106 2HD2 LEU 106 6.218 11.311 -0.834 794 3HD2 LEU 106 3HD2 LEU 106 5.918 9.731 -1.562 795 H GLU 107 H GLU 107 3.612 11.206 2.810 796 HA GLU 107 HA GLU 107 3.566 12.900 5.267 797 1HB GLU 107 1HB GLU 107 1.476 12.500 3.087 798 2HB GLU 107 2HB GLU 107 1.264 13.459 4.537 799 1HG GLU 107 1HG GLU 107 3.573 14.173 2.759 800 2HG GLU 107 2HG GLU 107 1.953 14.502 2.165 801 H GLU 108 H GLU 108 1.810 12.121 6.852 802 HA GLU 108 HA GLU 108 1.648 9.182 6.807 803 1HB GLU 108 1HB GLU 108 2.886 10.249 8.673 804 2HB GLU 108 2HB GLU 108 1.479 11.292 9.008 805 1HG GLU 108 1HG GLU 108 0.139 9.398 9.633 806 2HG GLU 108 2HG GLU 108 1.419 8.270 9.188 807 H LEU 109 H LEU 109 -0.104 8.914 5.532 808 HA LEU 109 HA LEU 109 -2.464 10.569 5.855 809 1HB LEU 109 1HB LEU 109 -1.420 9.850 3.628 810 2HB LEU 109 2HB LEU 109 -2.118 8.258 3.943 811 HG LEU 109 HG LEU 109 -4.358 9.508 4.254 812 1HD1 LEU 109 1HD1 LEU 109 -4.525 11.696 2.992 813 2HD1 LEU 109 2HD1 LEU 109 -3.728 11.768 4.565 814 3HD1 LEU 109 3HD1 LEU 109 -2.753 11.788 3.098 815 1HD2 LEU 109 1HD2 LEU 109 -4.823 9.597 1.883 816 2HD2 LEU 109 2HD2 LEU 109 -3.066 9.599 1.524 817 3HD2 LEU 109 3HD2 LEU 109 -3.830 8.179 2.272 818 H THR 110 H THR 110 -2.122 9.279 8.261 819 HA THR 110 HA THR 110 -3.486 6.697 8.266 820 HB THR 110 HB THR 110 -2.999 7.059 10.768 821 HG1 THR 110 HG1 THR 110 -2.719 9.172 11.175 822 1HG2 THR 110 1HG2 THR 110 -0.525 6.935 10.469 823 2HG2 THR 110 2HG2 THR 110 -1.385 5.886 9.323 824 3HG2 THR 110 3HG2 THR 110 -0.692 7.434 8.782 825 H THR 111 H THR 111 -5.045 8.859 7.213 826 HA THR 111 HA THR 111 -7.544 9.035 8.500 827 HB THR 111 HB THR 111 -6.662 10.157 10.351 828 HG1 THR 111 HG1 THR 111 -7.627 12.082 10.163 829 1HG2 THR 111 1HG2 THR 111 -5.034 12.026 8.590 830 2HG2 THR 111 2HG2 THR 111 -5.174 12.081 10.352 831 3HG2 THR 111 3HG2 THR 111 -4.336 10.731 9.592 832 H PHE 112 H PHE 112 -8.559 9.137 6.581 833 HA PHE 112 HA PHE 112 -8.644 11.383 5.008 834 1HB PHE 112 1HB PHE 112 -8.079 10.483 2.850 835 2HB PHE 112 2HB PHE 112 -6.658 10.644 3.832 836 HD1 PHE 112 HD1 PHE 112 -5.964 8.334 5.114 837 HD2 PHE 112 HD2 PHE 112 -8.455 8.585 1.606 838 HE1 PHE 112 HE1 PHE 112 -5.337 6.031 4.523 839 HE2 PHE 112 HE2 PHE 112 -7.897 6.277 1.064 840 HZ PHE 112 HZ PHE 112 -6.326 4.959 2.525 841 H THR 113 H THR 113 -10.308 10.812 3.191 842 HA THR 113 HA THR 113 -11.852 8.356 3.703 843 HB THR 113 HB THR 113 -13.923 9.621 3.913 844 HG1 THR 113 HG1 THR 113 -14.082 11.577 3.792 845 1HG2 THR 113 1HG2 THR 113 -12.002 10.490 6.111 846 2HG2 THR 113 2HG2 THR 113 -13.765 10.331 6.215 847 3HG2 THR 113 3HG2 THR 113 -12.768 8.886 5.995 848 H ARG 114 H ARG 114 -13.610 8.096 2.011 849 HA ARG 114 HA ARG 114 -13.675 9.682 -0.348 850 1HB ARG 114 1HB ARG 114 -11.376 8.404 -0.604 851 2HB ARG 114 2HB ARG 114 -12.334 6.927 -0.668 852 1HG ARG 114 1HG ARG 114 -11.681 7.721 -2.892 853 2HG ARG 114 2HG ARG 114 -13.444 7.740 -2.733 854 1HD ARG 114 1HD ARG 114 -13.464 10.129 -2.349 855 2HD ARG 114 2HD ARG 114 -11.703 10.187 -2.229 856 HE ARG 114 HE ARG 114 -12.038 9.214 -4.716 857 1HH1 ARG 114 2HH2 ARG 114 -13.755 11.955 -3.204 858 2HH1 ARG 114 1HH2 ARG 114 -13.319 13.063 -4.467 859 1HH2 ARG 114 2HH1 ARG 114 -11.761 10.593 -6.462 860 2HH2 ARG 114 1HH1 ARG 114 -12.224 12.276 -6.378 861 H GLU 115 H GLU 115 -15.385 9.416 -1.437 862 HA GLU 115 HA GLU 115 -16.552 6.771 -1.717 863 1HB GLU 115 1HB GLU 115 -17.738 7.609 0.252 864 2HB GLU 115 2HB GLU 115 -18.051 9.135 -0.595 865 1HG GLU 115 1HG GLU 115 -19.326 7.736 -2.353 866 2HG GLU 115 2HG GLU 115 -19.024 6.310 -1.354 867 H GLY 116 H GLY 116 -16.126 6.811 -3.792 868 1HA GLY 116 1HA GLY 116 -17.709 8.708 -5.518 869 2HA GLY 116 2HA GLY 116 -16.493 7.562 -6.134 Start of MODEL 15 1 1H MET 1 H1 MET 1 11.457 -0.377 11.633 2 HA MET 1 HA MET 1 12.688 -2.372 10.650 3 1HB MET 1 1HB MET 1 12.433 -3.247 13.551 4 2HB MET 1 2HB MET 1 12.972 -4.266 12.207 5 1HG MET 1 1HG MET 1 14.968 -2.939 11.900 6 2HG MET 1 2HG MET 1 14.371 -1.681 12.981 7 1HE MET 1 1HE MET 1 16.273 -4.979 12.665 8 2HE MET 1 2HE MET 1 16.283 -5.641 14.317 9 3HE MET 1 3HE MET 1 14.785 -5.655 13.365 10 H ALA 2 H ALA 2 10.896 -2.672 9.337 11 HA ALA 2 HA ALA 2 8.518 -3.971 10.320 12 1HB ALA 2 1HB ALA 2 8.626 -1.059 9.412 13 2HB ALA 2 2HB ALA 2 7.163 -1.965 9.263 14 3HB ALA 2 3HB ALA 2 7.817 -1.688 10.889 15 H ARG 3 H ARG 3 7.251 -4.685 8.415 16 HA ARG 3 HA ARG 3 8.496 -4.197 5.801 17 1HB ARG 3 1HB ARG 3 6.091 -5.748 6.858 18 2HB ARG 3 2HB ARG 3 6.313 -5.449 5.121 19 1HG ARG 3 1HG ARG 3 8.525 -6.335 5.201 20 2HG ARG 3 2HG ARG 3 8.476 -6.665 6.920 21 1HD ARG 3 1HD ARG 3 6.499 -8.010 5.081 22 2HD ARG 3 2HD ARG 3 8.204 -8.507 5.141 23 HE ARG 3 HE ARG 3 7.190 -8.450 7.797 24 1HH1 ARG 3 2HH2 ARG 3 7.355 -10.453 4.844 25 2HH1 ARG 3 1HH2 ARG 3 6.801 -11.878 5.656 26 1HH2 ARG 3 2HH1 ARG 3 6.395 -10.444 8.825 27 2HH2 ARG 3 1HH1 ARG 3 6.289 -11.868 7.805 28 H VAL 4 H VAL 4 7.583 -2.913 4.203 29 HA VAL 4 HA VAL 4 5.323 -1.111 4.861 30 HB VAL 4 HB VAL 4 7.843 -0.212 4.475 31 1HG1 VAL 4 1HG1 VAL 4 6.733 -0.022 1.702 32 2HG1 VAL 4 2HG1 VAL 4 8.383 0.351 2.270 33 3HG1 VAL 4 3HG1 VAL 4 7.813 -1.332 2.207 34 1HG2 VAL 4 1HG2 VAL 4 5.304 1.130 3.687 35 2HG2 VAL 4 2HG2 VAL 4 6.496 1.473 4.990 36 3HG2 VAL 4 3HG2 VAL 4 6.877 1.890 3.355 37 H ALA 5 H ALA 5 3.791 -0.927 3.017 38 HA ALA 5 HA ALA 5 4.133 -3.079 0.983 39 1HB ALA 5 1HB ALA 5 1.657 -3.226 1.000 40 2HB ALA 5 2HB ALA 5 2.393 -3.722 2.531 41 3HB ALA 5 3HB ALA 5 1.612 -2.129 2.403 42 H ILE 6 H ILE 6 3.745 -2.289 -1.165 43 HA ILE 6 HA ILE 6 2.805 0.521 -1.387 44 HB ILE 6 HB ILE 6 5.010 -0.626 -3.066 45 1HG1 ILE 6 1HG1 ILE 6 6.245 1.311 -1.736 46 2HG1 ILE 6 2HG1 ILE 6 5.138 0.875 -0.466 47 1HG2 ILE 6 1HG2 ILE 6 3.644 1.123 -4.144 48 2HG2 ILE 6 2HG2 ILE 6 3.983 2.211 -2.775 49 3HG2 ILE 6 3HG2 ILE 6 5.296 1.641 -3.838 50 1HD1 ILE 6 1HD1 ILE 6 6.941 -1.143 -1.904 51 2HD1 ILE 6 2HD1 ILE 6 7.378 -0.332 -0.405 52 3HD1 ILE 6 3HD1 ILE 6 6.009 -1.419 -0.414 53 HA PRO 7 HA PRO 7 -0.022 -1.668 -4.172 54 1HB PRO 7 1HB PRO 7 -1.475 0.585 -4.842 55 2HB PRO 7 2HB PRO 7 -1.642 -0.275 -3.278 56 1HG PRO 7 1HG PRO 7 -0.225 2.287 -3.971 57 2HG PRO 7 2HG PRO 7 -1.088 1.881 -2.450 58 1HD PRO 7 1HD PRO 7 1.564 1.767 -2.850 59 2HD PRO 7 2HD PRO 7 0.685 0.876 -1.556 60 H SER 8 H SER 8 0.935 -2.302 -6.061 61 HA SER 8 HA SER 8 2.169 -0.288 -7.904 62 1HB SER 8 1HB SER 8 3.771 -1.817 -6.904 63 2HB SER 8 2HB SER 8 2.768 -3.216 -7.268 64 HG SER 8 HG SER 8 4.101 -3.267 -8.942 65 H VAL 9 H VAL 9 1.935 -1.047 -10.231 66 HA VAL 9 HA VAL 9 -0.270 -3.018 -10.708 67 HB VAL 9 HB VAL 9 -1.016 -1.734 -12.644 68 1HG1 VAL 9 1HG1 VAL 9 -1.970 -1.485 -10.264 69 2HG1 VAL 9 2HG1 VAL 9 -1.167 0.104 -10.265 70 3HG1 VAL 9 3HG1 VAL 9 -2.395 -0.295 -11.481 71 1HG2 VAL 9 1HG2 VAL 9 -0.387 0.602 -12.991 72 2HG2 VAL 9 2HG2 VAL 9 0.738 0.554 -11.643 73 3HG2 VAL 9 3HG2 VAL 9 1.053 -0.395 -13.107 74 H GLY 10 H GLY 10 2.622 -3.456 -10.528 75 1HA GLY 10 1HA GLY 10 2.771 -5.200 -12.739 76 2HA GLY 10 2HA GLY 10 3.951 -3.901 -12.933 77 H LYS 11 H LYS 11 5.271 -6.083 -12.670 78 HA LYS 11 HA LYS 11 5.520 -6.851 -9.795 79 1HB LYS 11 1HB LYS 11 6.012 -9.149 -10.545 80 2HB LYS 11 2HB LYS 11 4.370 -8.599 -10.861 81 1HG LYS 11 1HG LYS 11 4.838 -8.277 -13.202 82 2HG LYS 11 2HG LYS 11 6.561 -8.575 -12.964 83 1HD LYS 11 1HD LYS 11 5.596 -10.562 -13.912 84 2HD LYS 11 2HD LYS 11 6.070 -10.907 -12.243 85 1HE LYS 11 1HE LYS 11 3.724 -10.641 -11.501 86 2HE LYS 11 2HE LYS 11 3.236 -10.221 -13.154 87 1HZ LYS 11 1HZ LYS 11 4.007 -12.443 -13.822 88 2HZ LYS 11 2HZ LYS 11 4.268 -12.836 -12.233 89 3HZ LYS 11 3HZ LYS 11 2.756 -12.494 -12.794 90 H ASP 12 H ASP 12 6.982 -4.814 -10.915 91 HA ASP 12 HA ASP 12 9.748 -5.770 -10.430 92 1HB ASP 12 1HB ASP 12 8.744 -4.150 -12.766 93 2HB ASP 12 2HB ASP 12 10.340 -3.836 -12.136 94 H LEU 13 H LEU 13 11.096 -4.007 -9.676 95 HA LEU 13 HA LEU 13 9.803 -2.261 -7.774 96 1HB LEU 13 1HB LEU 13 12.037 -3.684 -7.834 97 2HB LEU 13 2HB LEU 13 12.700 -2.270 -8.618 98 HG LEU 13 HG LEU 13 13.329 -2.396 -6.323 99 1HD1 LEU 13 1HD1 LEU 13 11.360 -0.112 -6.425 100 2HD1 LEU 13 2HD1 LEU 13 12.943 -0.188 -5.638 101 3HD1 LEU 13 3HD1 LEU 13 12.846 -0.154 -7.404 102 1HD2 LEU 13 1HD2 LEU 13 11.453 -3.687 -5.402 103 2HD2 LEU 13 2HD2 LEU 13 11.792 -2.244 -4.433 104 3HD2 LEU 13 3HD2 LEU 13 10.398 -2.273 -5.529 105 H SER 14 H SER 14 10.357 -1.949 -11.085 106 HA SER 14 HA SER 14 9.935 1.002 -10.805 107 1HB SER 14 1HB SER 14 10.884 1.026 -13.132 108 2HB SER 14 2HB SER 14 12.029 0.946 -11.754 109 HG SER 14 HG SER 14 12.228 -1.300 -12.142 110 H SER 15 H SER 15 7.974 -1.157 -10.703 111 HA SER 15 HA SER 15 6.590 -0.615 -13.242 112 1HB SER 15 1HB SER 15 5.327 -1.738 -10.693 113 2HB SER 15 2HB SER 15 4.750 -1.934 -12.365 114 HG SER 15 HG SER 15 7.047 -3.017 -11.102 115 H MET 16 H MET 16 4.135 0.401 -12.837 116 HA MET 16 HA MET 16 4.627 2.962 -11.496 117 1HB MET 16 1HB MET 16 2.576 1.799 -13.339 118 2HB MET 16 2HB MET 16 1.959 2.934 -12.163 119 1HG MET 16 1HG MET 16 4.335 4.155 -13.127 120 2HG MET 16 2HG MET 16 3.597 3.421 -14.535 121 1HE MET 16 1HE MET 16 3.116 5.782 -11.458 122 2HE MET 16 2HE MET 16 1.586 6.609 -11.828 123 3HE MET 16 3HE MET 16 1.571 4.915 -11.352 124 H VAL 17 H VAL 17 3.752 3.693 -9.580 125 HA VAL 17 HA VAL 17 2.486 1.784 -7.775 126 HB VAL 17 HB VAL 17 3.127 4.750 -7.496 127 1HG1 VAL 17 1HG1 VAL 17 1.276 4.373 -5.929 128 2HG1 VAL 17 2HG1 VAL 17 2.115 2.933 -5.279 129 3HG1 VAL 17 3HG1 VAL 17 2.828 4.532 -5.094 130 1HG2 VAL 17 1HG2 VAL 17 4.872 3.962 -6.021 131 2HG2 VAL 17 2HG2 VAL 17 4.321 2.271 -6.221 132 3HG2 VAL 17 3HG2 VAL 17 4.987 3.179 -7.584 133 H SER 18 H SER 18 0.348 2.271 -6.834 134 HA SER 18 HA SER 18 -1.629 3.164 -8.896 135 1HB SER 18 1HB SER 18 -1.291 0.636 -8.189 136 2HB SER 18 2HB SER 18 -2.084 1.128 -6.705 137 HG SER 18 HG SER 18 -3.807 0.635 -7.841 138 H ASP 19 H ASP 19 -2.858 4.834 -8.429 139 HA ASP 19 HA ASP 19 -2.601 6.144 -5.934 140 1HB ASP 19 1HB ASP 19 -4.461 6.614 -8.312 141 2HB ASP 19 2HB ASP 19 -4.334 7.726 -6.954 142 H ARG 20 H ARG 20 -3.792 3.528 -5.584 143 HA ARG 20 HA ARG 20 -6.291 3.919 -4.088 144 1HB ARG 20 1HB ARG 20 -6.976 1.832 -5.760 145 2HB ARG 20 2HB ARG 20 -7.619 3.440 -5.888 146 1HG ARG 20 1HG ARG 20 -5.828 3.964 -7.618 147 2HG ARG 20 2HG ARG 20 -5.253 2.318 -7.443 148 1HD ARG 20 1HD ARG 20 -6.627 1.747 -9.117 149 2HD ARG 20 2HD ARG 20 -7.996 2.055 -8.046 150 HE ARG 20 HE ARG 20 -8.395 4.066 -9.078 151 1HH1 ARG 20 2HH2 ARG 20 -5.381 2.721 -10.522 152 2HH1 ARG 20 1HH2 ARG 20 -5.103 4.107 -11.508 153 1HH2 ARG 20 2HH1 ARG 20 -8.131 5.710 -10.691 154 2HH2 ARG 20 1HH1 ARG 20 -6.837 5.600 -11.832 155 H PHE 21 H PHE 21 -5.375 2.790 -2.234 156 HA PHE 21 HA PHE 21 -3.585 0.582 -2.557 157 1HB PHE 21 1HB PHE 21 -3.737 1.730 -0.378 158 2HB PHE 21 2HB PHE 21 -5.474 1.566 -0.340 159 HD1 PHE 21 HD1 PHE 21 -6.224 0.047 1.315 160 HD2 PHE 21 HD2 PHE 21 -2.531 -0.729 -0.772 161 HE1 PHE 21 HE1 PHE 21 -6.046 -2.130 2.440 162 HE2 PHE 21 HE2 PHE 21 -2.386 -2.925 0.273 163 HZ PHE 21 HZ PHE 21 -4.150 -3.660 1.926 164 H ALA 22 H ALA 22 -7.071 0.524 -1.797 165 HA ALA 22 HA ALA 22 -7.092 -2.291 -1.738 166 1HB ALA 22 1HB ALA 22 -9.401 -0.416 -2.340 167 2HB ALA 22 2HB ALA 22 -9.541 -2.069 -1.751 168 3HB ALA 22 3HB ALA 22 -8.819 -0.830 -0.702 169 H ARG 23 H ARG 23 -6.909 -0.278 -4.607 170 HA ARG 23 HA ARG 23 -7.491 -2.583 -6.311 171 1HB ARG 23 1HB ARG 23 -8.425 0.260 -6.439 172 2HB ARG 23 2HB ARG 23 -7.871 -0.550 -7.908 173 1HG ARG 23 1HG ARG 23 -9.809 -1.895 -5.973 174 2HG ARG 23 2HG ARG 23 -10.401 -0.714 -7.112 175 1HD ARG 23 1HD ARG 23 -8.746 -3.007 -8.179 176 2HD ARG 23 2HD ARG 23 -10.430 -3.282 -7.720 177 HE ARG 23 HE ARG 23 -11.208 -1.812 -9.332 178 1HH1 ARG 23 2HH2 ARG 23 -7.797 -2.518 -9.987 179 2HH1 ARG 23 1HH2 ARG 23 -7.615 -1.355 -11.221 180 1HH2 ARG 23 2HH1 ARG 23 -11.129 -0.592 -11.121 181 2HH2 ARG 23 1HH1 ARG 23 -9.657 -0.368 -12.045 182 H ALA 24 H ALA 24 -5.123 -2.939 -5.634 183 HA ALA 24 HA ALA 24 -3.641 -1.589 -7.771 184 1HB ALA 24 1HB ALA 24 -2.465 -2.231 -5.000 185 2HB ALA 24 2HB ALA 24 -1.651 -1.406 -6.338 186 3HB ALA 24 3HB ALA 24 -3.020 -0.635 -5.498 187 H GLU 25 H GLU 25 -3.182 -3.190 -9.128 188 HA GLU 25 HA GLU 25 -3.803 -5.868 -8.689 189 1HB GLU 25 1HB GLU 25 -2.066 -4.414 -10.701 190 2HB GLU 25 2HB GLU 25 -2.315 -6.170 -10.798 191 1HG GLU 25 1HG GLU 25 -4.858 -5.552 -10.684 192 2HG GLU 25 2HG GLU 25 -4.315 -3.960 -11.220 193 H TYR 26 H TYR 26 -0.838 -4.354 -7.559 194 HA TYR 26 HA TYR 26 0.165 -6.975 -6.780 195 1HB TYR 26 1HB TYR 26 1.847 -4.860 -8.189 196 2HB TYR 26 2HB TYR 26 2.465 -6.372 -7.504 197 HD1 TYR 26 HD1 TYR 26 0.395 -4.804 -10.052 198 HD2 TYR 26 HD2 TYR 26 2.321 -8.450 -8.898 199 HE1 TYR 26 HE1 TYR 26 -0.113 -5.713 -12.283 200 HE2 TYR 26 HE2 TYR 26 1.798 -9.429 -11.115 201 HH TYR 26 HH TYR 26 0.653 -9.125 -13.110 202 H PHE 27 H PHE 27 1.697 -6.697 -5.012 203 HA PHE 27 HA PHE 27 1.646 -4.073 -3.645 204 1HB PHE 27 1HB PHE 27 0.802 -6.715 -2.454 205 2HB PHE 27 2HB PHE 27 1.264 -5.303 -1.483 206 HD1 PHE 27 HD1 PHE 27 -1.377 -6.964 -3.264 207 HD2 PHE 27 HD2 PHE 27 -0.032 -3.080 -1.971 208 HE1 PHE 27 HE1 PHE 27 -3.649 -6.032 -3.643 209 HE2 PHE 27 HE2 PHE 27 -2.324 -2.179 -2.379 210 HZ PHE 27 HZ PHE 27 -4.114 -3.668 -3.208 211 H ILE 28 H ILE 28 3.729 -3.591 -3.644 212 HA ILE 28 HA ILE 28 5.860 -5.667 -3.499 213 HB ILE 28 HB ILE 28 6.049 -2.643 -3.606 214 1HG1 ILE 28 1HG1 ILE 28 4.880 -3.175 -5.587 215 2HG1 ILE 28 2HG1 ILE 28 6.554 -3.068 -6.072 216 1HG2 ILE 28 1HG2 ILE 28 8.353 -3.141 -4.418 217 2HG2 ILE 28 2HG2 ILE 28 8.072 -3.750 -2.796 218 3HG2 ILE 28 3HG2 ILE 28 8.059 -4.863 -4.182 219 1HD1 ILE 28 1HD1 ILE 28 6.696 -5.575 -5.931 220 2HD1 ILE 28 2HD1 ILE 28 4.931 -5.613 -5.733 221 3HD1 ILE 28 3HD1 ILE 28 5.639 -4.938 -7.212 222 H ILE 29 H ILE 29 6.615 -6.326 -1.568 223 HA ILE 29 HA ILE 29 5.963 -4.653 0.805 224 HB ILE 29 HB ILE 29 6.082 -7.666 0.755 225 1HG1 ILE 29 1HG1 ILE 29 3.667 -5.821 1.047 226 2HG1 ILE 29 2HG1 ILE 29 4.095 -6.713 -0.412 227 1HG2 ILE 29 1HG2 ILE 29 5.365 -5.706 2.966 228 2HG2 ILE 29 2HG2 ILE 29 5.269 -7.478 3.094 229 3HG2 ILE 29 3HG2 ILE 29 6.834 -6.693 2.891 230 1HD1 ILE 29 1HD1 ILE 29 2.550 -8.114 0.546 231 2HD1 ILE 29 2HD1 ILE 29 4.055 -8.838 1.094 232 3HD1 ILE 29 3HD1 ILE 29 3.109 -7.807 2.205 233 H TYR 30 H TYR 30 7.729 -3.675 1.261 234 HA TYR 30 HA TYR 30 10.432 -4.889 0.807 235 1HB TYR 30 1HB TYR 30 9.923 -2.524 -0.025 236 2HB TYR 30 2HB TYR 30 9.563 -2.088 1.615 237 HD1 TYR 30 HD1 TYR 30 12.409 -3.790 -0.147 238 HD2 TYR 30 HD2 TYR 30 11.128 -0.847 2.732 239 HE1 TYR 30 HE1 TYR 30 14.748 -3.150 0.226 240 HE2 TYR 30 HE2 TYR 30 13.487 -0.210 3.139 241 HH TYR 30 HH TYR 30 15.663 -0.306 1.822 242 H ASP 31 H ASP 31 11.615 -5.520 2.482 243 HA ASP 31 HA ASP 31 10.643 -5.346 5.291 244 1HB ASP 31 1HB ASP 31 12.694 -6.905 3.717 245 2HB ASP 31 2HB ASP 31 13.088 -6.533 5.389 246 H THR 32 H THR 32 11.343 -3.536 6.529 247 HA THR 32 HA THR 32 13.696 -2.034 5.544 248 HB THR 32 HB THR 32 13.210 -0.296 6.931 249 HG1 THR 32 HG1 THR 32 12.721 -1.267 8.766 250 1HG2 THR 32 1HG2 THR 32 11.752 -0.337 4.990 251 2HG2 THR 32 2HG2 THR 32 10.511 -1.233 5.886 252 3HG2 THR 32 3HG2 THR 32 10.932 0.418 6.366 253 H GLU 33 H GLU 33 14.549 -4.337 5.943 254 HA GLU 33 HA GLU 33 16.322 -4.253 8.250 255 1HB GLU 33 1HB GLU 33 14.280 -6.494 7.868 256 2HB GLU 33 2HB GLU 33 15.907 -6.823 8.438 257 1HG GLU 33 1HG GLU 33 15.240 -4.790 10.153 258 2HG GLU 33 2HG GLU 33 13.647 -5.497 9.873 259 H SER 34 H SER 34 15.535 -6.861 5.938 260 HA SER 34 HA SER 34 18.387 -6.558 5.503 261 1HB SER 34 1HB SER 34 18.030 -9.024 4.717 262 2HB SER 34 2HB SER 34 17.773 -8.615 6.415 263 HG SER 34 HG SER 34 15.901 -9.503 6.140 264 H GLY 35 H GLY 35 16.760 -4.740 3.980 265 1HA GLY 35 1HA GLY 35 16.293 -3.927 1.912 266 2HA GLY 35 2HA GLY 35 17.647 -4.875 1.354 267 H ASN 36 H ASN 36 15.334 -6.995 2.574 268 HA ASN 36 HA ASN 36 14.957 -8.113 -0.032 269 1HB ASN 36 1HB ASN 36 14.080 -8.898 2.764 270 2HB ASN 36 2HB ASN 36 13.535 -9.766 1.330 271 1HD2 ASN 36 1HD2 ASN 36 16.092 -9.733 3.607 272 2HD2 ASN 36 2HD2 ASN 36 17.296 -10.492 2.592 273 H VAL 37 H VAL 37 12.861 -8.807 -0.931 274 HA VAL 37 HA VAL 37 10.642 -7.027 -0.315 275 HB VAL 37 HB VAL 37 11.114 -7.206 -3.241 276 1HG1 VAL 37 1HG1 VAL 37 9.186 -5.963 -2.292 277 2HG1 VAL 37 2HG1 VAL 37 10.333 -4.912 -1.399 278 3HG1 VAL 37 3HG1 VAL 37 10.282 -4.889 -3.167 279 1HG2 VAL 37 1HG2 VAL 37 12.883 -5.332 -1.642 280 2HG2 VAL 37 2HG2 VAL 37 13.412 -6.635 -2.724 281 3HG2 VAL 37 3HG2 VAL 37 12.570 -5.231 -3.382 282 H GLU 38 H GLU 38 8.660 -7.721 -1.451 283 HA GLU 38 HA GLU 38 8.642 -10.426 -2.663 284 1HB GLU 38 1HB GLU 38 7.815 -10.724 -0.364 285 2HB GLU 38 2HB GLU 38 6.886 -9.246 -0.471 286 1HG GLU 38 1HG GLU 38 5.285 -10.900 -0.595 287 2HG GLU 38 2HG GLU 38 5.432 -10.345 -2.231 288 H VAL 39 H VAL 39 7.375 -10.303 -4.572 289 HA VAL 39 HA VAL 39 5.624 -7.916 -4.934 290 HB VAL 39 HB VAL 39 6.263 -10.057 -7.000 291 1HG1 VAL 39 1HG1 VAL 39 4.001 -9.091 -7.197 292 2HG1 VAL 39 2HG1 VAL 39 4.670 -7.453 -7.209 293 3HG1 VAL 39 3HG1 VAL 39 5.017 -8.595 -8.518 294 1HG2 VAL 39 1HG2 VAL 39 7.173 -7.183 -7.228 295 2HG2 VAL 39 2HG2 VAL 39 8.227 -8.465 -6.593 296 3HG2 VAL 39 3HG2 VAL 39 7.578 -8.563 -8.236 297 H VAL 40 H VAL 40 3.815 -8.368 -3.796 298 HA VAL 40 HA VAL 40 2.543 -11.040 -4.021 299 HB VAL 40 HB VAL 40 1.943 -8.432 -2.631 300 1HG1 VAL 40 1HG1 VAL 40 -0.164 -10.578 -3.076 301 2HG1 VAL 40 2HG1 VAL 40 -0.309 -9.116 -2.064 302 3HG1 VAL 40 3HG1 VAL 40 -0.164 -8.951 -3.801 303 1HG2 VAL 40 1HG2 VAL 40 1.939 -11.323 -1.724 304 2HG2 VAL 40 2HG2 VAL 40 3.190 -10.104 -1.398 305 3HG2 VAL 40 3HG2 VAL 40 1.584 -9.918 -0.692 306 H GLU 41 H GLU 41 1.043 -11.345 -5.556 307 HA GLU 41 HA GLU 41 0.372 -9.263 -7.578 308 1HB GLU 41 1HB GLU 41 1.542 -11.322 -8.439 309 2HB GLU 41 2HB GLU 41 0.291 -12.320 -7.666 310 1HG GLU 41 1HG GLU 41 -1.411 -11.181 -9.137 311 2HG GLU 41 2HG GLU 41 -0.049 -10.450 -10.009 312 H ASN 42 H ASN 42 -1.866 -8.660 -7.281 313 HA ASN 42 HA ASN 42 -3.523 -10.619 -5.864 314 1HB ASN 42 1HB ASN 42 -2.431 -8.928 -4.193 315 2HB ASN 42 2HB ASN 42 -3.606 -7.774 -4.855 316 1HD2 ASN 42 1HD2 ASN 42 -4.813 -7.742 -2.745 317 2HD2 ASN 42 2HD2 ASN 42 -5.583 -9.248 -2.197 318 H THR 43 H THR 43 -5.505 -10.761 -6.540 319 HA THR 43 HA THR 43 -5.999 -9.275 -9.005 320 HB THR 43 HB THR 43 -7.186 -11.552 -9.420 321 HG1 THR 43 HG1 THR 43 -7.326 -12.653 -7.584 322 1HG2 THR 43 1HG2 THR 43 -5.016 -12.702 -9.785 323 2HG2 THR 43 2HG2 THR 43 -4.925 -11.020 -10.321 324 3HG2 THR 43 3HG2 THR 43 -4.170 -11.514 -8.790 325 H ILE 44 H ILE 44 -6.827 -7.630 -7.157 326 HA ILE 44 HA ILE 44 -9.608 -8.095 -6.377 327 HB ILE 44 HB ILE 44 -9.246 -5.662 -5.614 328 1HG1 ILE 44 1HG1 ILE 44 -6.897 -5.724 -7.026 329 2HG1 ILE 44 2HG1 ILE 44 -7.269 -4.648 -5.744 330 1HG2 ILE 44 1HG2 ILE 44 -8.205 -6.523 -3.513 331 2HG2 ILE 44 2HG2 ILE 44 -9.485 -7.556 -4.154 332 3HG2 ILE 44 3HG2 ILE 44 -7.805 -8.038 -4.355 333 1HD1 ILE 44 1HD1 ILE 44 -6.032 -5.999 -4.112 334 2HD1 ILE 44 2HD1 ILE 44 -5.854 -7.304 -5.310 335 3HD1 ILE 44 3HD1 ILE 44 -5.036 -5.772 -5.551 336 H ALA 45 H ALA 45 -10.563 -8.383 -8.257 337 HA ALA 45 HA ALA 45 -11.297 -5.935 -9.773 338 1HB ALA 45 1HB ALA 45 -9.648 -7.111 -11.189 339 2HB ALA 45 2HB ALA 45 -10.566 -8.621 -11.040 340 3HB ALA 45 3HB ALA 45 -11.272 -7.236 -11.895 341 H ASP 46 H ASP 46 -12.832 -6.472 -7.790 342 HA ASP 46 HA ASP 46 -15.166 -8.008 -8.652 343 1HB ASP 46 1HB ASP 46 -15.001 -9.603 -6.742 344 2HB ASP 46 2HB ASP 46 -13.786 -9.840 -7.980 345 H ALA 47 H ALA 47 -16.831 -8.107 -6.888 346 HA ALA 47 HA ALA 47 -16.532 -6.298 -4.586 347 1HB ALA 47 1HB ALA 47 -18.802 -6.095 -6.618 348 2HB ALA 47 2HB ALA 47 -18.672 -5.170 -5.111 349 3HB ALA 47 3HB ALA 47 -17.521 -4.886 -6.428 350 H HIS 48 H HIS 48 -16.464 -9.106 -4.807 351 HA HIS 48 HA HIS 48 -18.994 -10.173 -3.800 352 1HB HIS 48 1HB HIS 48 -16.425 -11.230 -4.694 353 2HB HIS 48 2HB HIS 48 -16.834 -11.906 -3.130 354 HD1 HIS 48 HD1 HIS 48 -19.653 -12.820 -3.116 355 HD2 HIS 48 HD2 HIS 48 -17.422 -12.574 -6.701 356 HE1 HIS 48 HE1 HIS 48 -20.832 -14.287 -4.793 357 H GLY 49 H GLY 49 -18.546 -11.453 -1.541 358 1HA GLY 49 1HA GLY 49 -18.471 -9.324 0.393 359 2HA GLY 49 2HA GLY 49 -18.810 -11.034 0.665 360 H THR 50 H THR 50 -17.343 -12.134 1.806 361 HA THR 50 HA THR 50 -15.684 -12.369 3.323 362 HB THR 50 HB THR 50 -14.099 -11.561 0.881 363 HG1 THR 50 HG1 THR 50 -15.030 -13.446 0.515 364 1HG2 THR 50 1HG2 THR 50 -12.994 -12.789 3.430 365 2HG2 THR 50 2HG2 THR 50 -12.199 -12.866 1.846 366 3HG2 THR 50 3HG2 THR 50 -12.434 -11.301 2.605 367 H GLY 51 H GLY 51 -13.477 -10.841 4.155 368 1HA GLY 51 1HA GLY 51 -14.669 -8.183 4.834 369 2HA GLY 51 2HA GLY 51 -13.472 -9.059 5.788 370 HA PRO 52 HA PRO 52 -10.868 -6.393 3.220 371 1HB PRO 52 1HB PRO 52 -8.462 -6.971 4.308 372 2HB PRO 52 2HB PRO 52 -9.638 -5.906 5.151 373 1HG PRO 52 1HG PRO 52 -8.997 -8.829 5.602 374 2HG PRO 52 2HG PRO 52 -9.260 -7.603 6.837 375 1HD PRO 52 1HD PRO 52 -11.264 -9.282 6.111 376 2HD PRO 52 2HD PRO 52 -11.600 -7.582 6.518 377 H LYS 53 H LYS 53 -9.842 -9.805 3.712 378 HA LYS 53 HA LYS 53 -8.709 -11.187 2.349 379 1HB LYS 53 1HB LYS 53 -10.422 -11.267 0.880 380 2HB LYS 53 2HB LYS 53 -10.356 -9.572 0.489 381 1HG LYS 53 1HG LYS 53 -8.232 -10.053 -0.859 382 2HG LYS 53 2HG LYS 53 -8.613 -11.768 -0.587 383 1HD LYS 53 1HD LYS 53 -9.505 -11.048 -2.694 384 2HD LYS 53 2HD LYS 53 -10.860 -11.349 -1.610 385 1HE LYS 53 1HE LYS 53 -11.085 -8.874 -1.189 386 2HE LYS 53 2HE LYS 53 -9.662 -8.591 -2.172 387 1HZ LYS 53 1HZ LYS 53 -12.156 -9.815 -3.231 388 2HZ LYS 53 2HZ LYS 53 -11.639 -8.302 -3.580 389 3HZ LYS 53 3HZ LYS 53 -10.814 -9.603 -4.103 390 H VAL 54 H VAL 54 -8.116 -8.076 0.626 391 HA VAL 54 HA VAL 54 -5.418 -8.673 0.112 392 HB VAL 54 HB VAL 54 -6.594 -7.087 -1.178 393 1HG1 VAL 54 1HG1 VAL 54 -8.044 -5.951 0.424 394 2HG1 VAL 54 2HG1 VAL 54 -6.624 -5.033 1.016 395 3HG1 VAL 54 3HG1 VAL 54 -7.164 -4.880 -0.664 396 1HG2 VAL 54 1HG2 VAL 54 -4.099 -6.890 -0.988 397 2HG2 VAL 54 2HG2 VAL 54 -4.910 -5.366 -1.418 398 3HG2 VAL 54 3HG2 VAL 54 -4.326 -5.631 0.230 399 H VAL 55 H VAL 55 -6.735 -6.518 2.622 400 HA VAL 55 HA VAL 55 -4.323 -6.080 4.092 401 HB VAL 55 HB VAL 55 -6.972 -6.159 5.505 402 1HG1 VAL 55 1HG1 VAL 55 -6.237 -4.019 6.385 403 2HG1 VAL 55 2HG1 VAL 55 -5.089 -5.318 6.700 404 3HG1 VAL 55 3HG1 VAL 55 -4.741 -4.128 5.419 405 1HG2 VAL 55 1HG2 VAL 55 -6.293 -4.126 3.332 406 2HG2 VAL 55 2HG2 VAL 55 -7.681 -5.215 3.291 407 3HG2 VAL 55 3HG2 VAL 55 -7.617 -3.946 4.510 408 H GLN 56 H GLN 56 -6.887 -8.551 4.602 409 HA GLN 56 HA GLN 56 -5.734 -9.898 6.661 410 1HB GLN 56 1HB GLN 56 -7.792 -10.333 4.650 411 2HB GLN 56 2HB GLN 56 -6.938 -11.812 4.834 412 1HG GLN 56 1HG GLN 56 -7.645 -10.527 7.439 413 2HG GLN 56 2HG GLN 56 -9.021 -10.896 6.419 414 1HE2 GLN 56 1HE2 GLN 56 -7.577 -12.264 8.977 415 2HE2 GLN 56 2HE2 GLN 56 -7.824 -13.935 8.510 416 H SER 57 H SER 57 -4.358 -9.742 3.489 417 HA SER 57 HA SER 57 -2.809 -12.255 3.828 418 1HB SER 57 1HB SER 57 -4.364 -11.565 1.746 419 2HB SER 57 2HB SER 57 -2.944 -10.605 1.316 420 HG SER 57 HG SER 57 -3.407 -13.362 1.430 421 H LEU 58 H LEU 58 -2.501 -8.839 2.878 422 HA LEU 58 HA LEU 58 0.324 -8.652 2.998 423 1HB LEU 58 1HB LEU 58 -1.891 -6.633 3.574 424 2HB LEU 58 2HB LEU 58 -0.204 -6.218 3.402 425 HG LEU 58 HG LEU 58 -1.956 -7.378 1.200 426 1HD1 LEU 58 1HD1 LEU 58 -1.718 -5.181 0.189 427 2HD1 LEU 58 2HD1 LEU 58 -2.377 -5.010 1.827 428 3HD1 LEU 58 3HD1 LEU 58 -0.665 -4.633 1.519 429 1HD2 LEU 58 1HD2 LEU 58 -0.115 -6.988 -0.310 430 2HD2 LEU 58 2HD2 LEU 58 0.943 -6.511 1.043 431 3HD2 LEU 58 3HD2 LEU 58 0.314 -8.180 0.887 432 H VAL 59 H VAL 59 -2.138 -8.193 5.565 433 HA VAL 59 HA VAL 59 -0.295 -7.615 7.692 434 HB VAL 59 HB VAL 59 -3.176 -8.510 7.407 435 1HG1 VAL 59 1HG1 VAL 59 -2.521 -9.402 9.561 436 2HG1 VAL 59 2HG1 VAL 59 -1.781 -7.841 10.028 437 3HG1 VAL 59 3HG1 VAL 59 -3.542 -7.977 9.768 438 1HG2 VAL 59 1HG2 VAL 59 -3.591 -6.180 8.246 439 2HG2 VAL 59 2HG2 VAL 59 -1.838 -5.914 8.345 440 3HG2 VAL 59 3HG2 VAL 59 -2.617 -6.162 6.767 441 H SER 60 H SER 60 -1.761 -10.677 6.439 442 HA SER 60 HA SER 60 -0.326 -12.332 8.316 443 1HB SER 60 1HB SER 60 -1.701 -12.878 5.670 444 2HB SER 60 2HB SER 60 -0.873 -14.125 6.608 445 HG SER 60 HG SER 60 -3.002 -12.485 7.603 446 H LYS 61 H LYS 61 0.963 -10.298 6.038 447 HA LYS 61 HA LYS 61 3.485 -11.858 5.877 448 1HB LYS 61 1HB LYS 61 2.152 -10.021 3.835 449 2HB LYS 61 2HB LYS 61 3.858 -10.441 3.766 450 1HG LYS 61 1HG LYS 61 3.444 -12.711 3.368 451 2HG LYS 61 2HG LYS 61 1.743 -12.614 3.840 452 1HD LYS 61 1HD LYS 61 1.024 -11.710 1.889 453 2HD LYS 61 2HD LYS 61 2.529 -10.840 1.572 454 1HE LYS 61 1HE LYS 61 2.106 -13.832 1.157 455 2HE LYS 61 2HE LYS 61 2.170 -12.589 -0.089 456 1HZ LYS 61 1HZ LYS 61 4.498 -12.139 1.026 457 2HZ LYS 61 2HZ LYS 61 4.371 -13.709 1.445 458 3HZ LYS 61 3HZ LYS 61 4.332 -13.275 -0.139 459 H GLY 62 H GLY 62 2.447 -10.240 8.018 460 1HA GLY 62 1HA GLY 62 3.323 -8.875 9.570 461 2HA GLY 62 2HA GLY 62 4.860 -9.094 8.734 462 H VAL 63 H VAL 63 2.433 -7.464 6.889 463 HA VAL 63 HA VAL 63 3.956 -5.167 6.557 464 HB VAL 63 HB VAL 63 1.089 -5.987 6.084 465 1HG1 VAL 63 1HG1 VAL 63 1.799 -3.152 6.228 466 2HG1 VAL 63 2HG1 VAL 63 1.099 -3.638 4.669 467 3HG1 VAL 63 3HG1 VAL 63 0.251 -3.964 6.196 468 1HG2 VAL 63 1HG2 VAL 63 2.787 -6.869 4.603 469 2HG2 VAL 63 2HG2 VAL 63 1.839 -5.704 3.686 470 3HG2 VAL 63 3HG2 VAL 63 3.450 -5.297 4.273 471 H GLU 64 H GLU 64 4.495 -3.528 7.860 472 HA GLU 64 HA GLU 64 2.557 -2.782 10.080 473 1HB GLU 64 1HB GLU 64 5.561 -3.119 9.917 474 2HB GLU 64 2HB GLU 64 4.869 -2.119 11.169 475 1HG GLU 64 1HG GLU 64 3.747 -4.894 10.846 476 2HG GLU 64 2HG GLU 64 5.370 -4.705 11.492 477 H TYR 65 H TYR 65 2.709 -1.662 7.337 478 HA TYR 65 HA TYR 65 2.725 1.184 7.686 479 1HB TYR 65 1HB TYR 65 5.074 -0.351 6.671 480 2HB TYR 65 2HB TYR 65 4.748 1.212 6.022 481 HD1 TYR 65 HD1 TYR 65 4.307 3.177 7.855 482 HD2 TYR 65 HD2 TYR 65 6.965 -0.177 8.003 483 HE1 TYR 65 HE1 TYR 65 5.835 4.466 9.355 484 HE2 TYR 65 HE2 TYR 65 8.470 1.071 9.536 485 HH TYR 65 HH TYR 65 8.438 4.327 10.042 486 H LEU 66 H LEU 66 2.821 2.090 5.298 487 HA LEU 66 HA LEU 66 2.491 0.435 3.071 488 1HB LEU 66 1HB LEU 66 0.362 -0.325 3.817 489 2HB LEU 66 2HB LEU 66 -0.023 1.221 4.543 490 HG LEU 66 HG LEU 66 -0.395 2.232 2.364 491 1HD1 LEU 66 1HD1 LEU 66 0.132 -0.561 1.252 492 2HD1 LEU 66 2HD1 LEU 66 -0.889 0.613 0.402 493 3HD1 LEU 66 3HD1 LEU 66 0.772 0.996 0.676 494 1HD2 LEU 66 1HD2 LEU 66 -2.227 1.193 3.677 495 2HD2 LEU 66 2HD2 LEU 66 -2.547 1.177 1.949 496 3HD2 LEU 66 3HD2 LEU 66 -2.014 -0.313 2.766 497 H ILE 67 H ILE 67 2.505 1.783 1.208 498 HA ILE 67 HA ILE 67 2.380 4.733 1.663 499 HB ILE 67 HB ILE 67 3.953 2.959 -0.290 500 1HG1 ILE 67 1HG1 ILE 67 5.082 5.001 1.730 501 2HG1 ILE 67 2HG1 ILE 67 4.743 3.383 2.285 502 1HG2 ILE 67 1HG2 ILE 67 3.562 4.906 -1.559 503 2HG2 ILE 67 2HG2 ILE 67 3.644 5.985 -0.141 504 3HG2 ILE 67 3HG2 ILE 67 5.118 5.262 -0.789 505 1HD1 ILE 67 1HD1 ILE 67 6.632 3.816 0.008 506 2HD1 ILE 67 2HD1 ILE 67 7.092 3.734 1.717 507 3HD1 ILE 67 3HD1 ILE 67 6.319 2.344 0.930 508 H ALA 68 H ALA 68 0.318 5.399 0.987 509 HA ALA 68 HA ALA 68 -0.644 4.446 -1.591 510 1HB ALA 68 1HB ALA 68 -2.785 3.631 -0.629 511 2HB ALA 68 2HB ALA 68 -1.387 2.591 -0.280 512 3HB ALA 68 3HB ALA 68 -2.052 3.653 0.990 513 H SER 69 H SER 69 -1.077 6.431 -2.286 514 HA SER 69 HA SER 69 -2.081 8.652 -0.764 515 1HB SER 69 1HB SER 69 -0.765 8.869 -2.802 516 2HB SER 69 2HB SER 69 -2.045 8.241 -3.765 517 HG SER 69 HG SER 69 -3.336 10.067 -2.888 518 H ASN 70 H ASN 70 -3.979 5.878 -1.529 519 HA ASN 70 HA ASN 70 -6.086 7.276 -0.398 520 1HB ASN 70 1HB ASN 70 -6.087 7.835 -3.215 521 2HB ASN 70 2HB ASN 70 -7.205 6.513 -3.097 522 1HD2 ASN 70 1HD2 ASN 70 -7.141 9.859 -3.122 523 2HD2 ASN 70 2HD2 ASN 70 -8.597 10.115 -2.226 524 H VAL 71 H VAL 71 -8.295 5.779 -0.843 525 HA VAL 71 HA VAL 71 -7.454 2.993 -1.251 526 HB VAL 71 HB VAL 71 -7.236 3.541 1.175 527 1HG1 VAL 71 1HG1 VAL 71 -9.057 5.092 1.533 528 2HG1 VAL 71 2HG1 VAL 71 -10.263 3.879 1.041 529 3HG1 VAL 71 3HG1 VAL 71 -9.340 3.644 2.505 530 1HG2 VAL 71 1HG2 VAL 71 -8.124 1.516 1.941 531 2HG2 VAL 71 2HG2 VAL 71 -9.379 1.468 0.677 532 3HG2 VAL 71 3HG2 VAL 71 -7.670 1.253 0.249 533 H GLY 72 H GLY 72 -9.009 1.672 -2.015 534 1HA GLY 72 1HA GLY 72 -11.517 2.918 -3.010 535 2HA GLY 72 2HA GLY 72 -10.517 1.740 -3.878 536 H ARG 73 H ARG 73 -11.517 1.800 -0.396 537 HA ARG 73 HA ARG 73 -13.711 0.117 -0.419 538 1HB ARG 73 1HB ARG 73 -11.091 -1.323 -0.234 539 2HB ARG 73 2HB ARG 73 -12.153 -1.698 1.071 540 1HG ARG 73 1HG ARG 73 -13.367 -1.908 -1.666 541 2HG ARG 73 2HG ARG 73 -12.101 -3.049 -1.227 542 1HD ARG 73 1HD ARG 73 -13.982 -4.185 -0.597 543 2HD ARG 73 2HD ARG 73 -13.452 -3.512 0.930 544 HE ARG 73 HE ARG 73 -15.295 -1.693 -0.245 545 1HH1 ARG 73 2HH2 ARG 73 -15.494 -5.125 0.943 546 2HH1 ARG 73 1HH2 ARG 73 -17.173 -4.994 1.160 547 1HH2 ARG 73 2HH1 ARG 73 -17.424 -1.621 0.103 548 2HH2 ARG 73 1HH1 ARG 73 -18.343 -3.061 0.419 549 H ASN 74 H ASN 74 -14.171 -0.467 1.995 550 HA ASN 74 HA ASN 74 -13.103 1.451 3.865 551 1HB ASN 74 1HB ASN 74 -14.916 -0.943 4.261 552 2HB ASN 74 2HB ASN 74 -14.392 0.148 5.551 553 1HD2 ASN 74 1HD2 ASN 74 -17.108 -0.299 3.689 554 2HD2 ASN 74 2HD2 ASN 74 -17.540 1.397 3.567 555 H ALA 75 H ALA 75 -11.069 -0.066 2.573 556 HA ALA 75 HA ALA 75 -10.089 -2.196 4.340 557 1HB ALA 75 1HB ALA 75 -8.793 -0.838 1.938 558 2HB ALA 75 2HB ALA 75 -8.241 -2.316 2.756 559 3HB ALA 75 3HB ALA 75 -9.783 -2.324 1.891 560 H PHE 76 H PHE 76 -9.656 1.300 4.048 561 HA PHE 76 HA PHE 76 -7.035 1.519 5.251 562 1HB PHE 76 1HB PHE 76 -7.708 3.334 3.999 563 2HB PHE 76 2HB PHE 76 -9.332 3.324 4.682 564 HD1 PHE 76 HD1 PHE 76 -5.775 4.263 5.470 565 HD2 PHE 76 HD2 PHE 76 -9.972 4.676 6.450 566 HE1 PHE 76 HE1 PHE 76 -5.263 6.188 6.892 567 HE2 PHE 76 HE2 PHE 76 -9.440 6.590 7.892 568 HZ PHE 76 HZ PHE 76 -7.116 7.319 8.167 569 H GLU 77 H GLU 77 -10.353 1.473 6.547 570 HA GLU 77 HA GLU 77 -9.578 1.864 9.221 571 1HB GLU 77 1HB GLU 77 -12.024 0.721 7.858 572 2HB GLU 77 2HB GLU 77 -11.923 0.905 9.626 573 1HG GLU 77 1HG GLU 77 -11.610 3.237 9.512 574 2HG GLU 77 2HG GLU 77 -11.193 3.253 7.832 575 H THR 78 H THR 78 -9.431 -0.971 7.167 576 HA THR 78 HA THR 78 -9.117 -2.805 9.451 577 HB THR 78 HB THR 78 -8.645 -3.425 6.498 578 HG1 THR 78 HG1 THR 78 -10.778 -2.501 6.944 579 1HG2 THR 78 1HG2 THR 78 -9.109 -5.051 9.012 580 2HG2 THR 78 2HG2 THR 78 -9.702 -5.641 7.462 581 3HG2 THR 78 3HG2 THR 78 -7.972 -5.331 7.682 582 H LEU 79 H LEU 79 -7.209 -0.612 7.551 583 HA LEU 79 HA LEU 79 -4.682 -2.073 7.805 584 1HB LEU 79 1HB LEU 79 -5.360 0.802 7.021 585 2HB LEU 79 2HB LEU 79 -3.725 0.227 7.119 586 HG LEU 79 HG LEU 79 -5.611 -1.462 5.477 587 1HD1 LEU 79 1HD1 LEU 79 -4.903 1.271 4.645 588 2HD1 LEU 79 2HD1 LEU 79 -4.365 0.044 3.510 589 3HD1 LEU 79 3HD1 LEU 79 -6.051 0.115 3.962 590 1HD2 LEU 79 1HD2 LEU 79 -3.602 -2.076 4.308 591 2HD2 LEU 79 2HD2 LEU 79 -2.672 -0.831 5.169 592 3HD2 LEU 79 3HD2 LEU 79 -3.325 -2.226 6.048 593 H LYS 80 H LYS 80 -6.061 0.860 9.370 594 HA LYS 80 HA LYS 80 -4.171 1.017 11.460 595 1HB LYS 80 1HB LYS 80 -6.131 2.211 12.599 596 2HB LYS 80 2HB LYS 80 -5.331 2.865 11.194 597 1HG LYS 80 1HG LYS 80 -7.475 1.545 10.047 598 2HG LYS 80 2HG LYS 80 -8.148 1.994 11.586 599 1HD LYS 80 1HD LYS 80 -8.554 3.648 9.735 600 2HD LYS 80 2HD LYS 80 -7.751 4.359 11.123 601 1HE LYS 80 1HE LYS 80 -5.932 3.189 9.050 602 2HE LYS 80 2HE LYS 80 -6.956 4.486 8.484 603 1HZ LYS 80 1HZ LYS 80 -5.977 6.021 9.952 604 2HZ LYS 80 2HZ LYS 80 -5.460 4.900 10.998 605 3HZ LYS 80 3HZ LYS 80 -4.669 5.022 9.607 606 H ALA 81 H ALA 81 -7.068 -1.014 11.158 607 HA ALA 81 HA ALA 81 -6.986 -1.967 13.842 608 1HB ALA 81 1HB ALA 81 -8.551 -3.573 13.141 609 2HB ALA 81 2HB ALA 81 -8.920 -2.129 12.226 610 3HB ALA 81 3HB ALA 81 -8.058 -3.480 11.443 611 H ALA 82 H ALA 82 -4.578 -2.456 11.490 612 HA ALA 82 HA ALA 82 -3.416 -4.559 13.254 613 1HB ALA 82 1HB ALA 82 -3.957 -5.549 11.015 614 2HB ALA 82 2HB ALA 82 -3.043 -4.247 10.237 615 3HB ALA 82 3HB ALA 82 -2.205 -5.416 11.264 616 H GLY 83 H GLY 83 -3.319 -1.615 13.486 617 1HA GLY 83 1HA GLY 83 -1.901 0.096 13.622 618 2HA GLY 83 2HA GLY 83 -0.705 -1.114 14.128 619 H VAL 84 H VAL 84 -2.109 -0.759 10.861 620 HA VAL 84 HA VAL 84 0.564 -0.514 9.784 621 HB VAL 84 HB VAL 84 -2.127 -0.617 8.374 622 1HG1 VAL 84 1HG1 VAL 84 -0.900 -1.434 6.432 623 2HG1 VAL 84 2HG1 VAL 84 -0.262 0.153 6.901 624 3HG1 VAL 84 3HG1 VAL 84 0.608 -1.346 7.319 625 1HG2 VAL 84 1HG2 VAL 84 -1.647 -3.058 8.129 626 2HG2 VAL 84 2HG2 VAL 84 -0.207 -2.845 9.169 627 3HG2 VAL 84 3HG2 VAL 84 -1.810 -2.549 9.814 628 H LYS 85 H LYS 85 1.572 1.414 9.669 629 HA LYS 85 HA LYS 85 -0.021 3.796 9.668 630 1HB LYS 85 1HB LYS 85 2.874 3.191 9.870 631 2HB LYS 85 2HB LYS 85 2.538 4.679 8.972 632 1HG LYS 85 1HG LYS 85 1.137 5.516 10.826 633 2HG LYS 85 2HG LYS 85 1.546 4.047 11.762 634 1HD LYS 85 1HD LYS 85 4.044 4.789 11.288 635 2HD LYS 85 2HD LYS 85 3.322 6.339 10.862 636 1HE LYS 85 1HE LYS 85 3.890 6.581 13.135 637 2HE LYS 85 2HE LYS 85 2.150 6.290 13.135 638 1HZ LYS 85 1HZ LYS 85 4.287 4.338 13.743 639 2HZ LYS 85 2HZ LYS 85 3.212 4.945 14.812 640 3HZ LYS 85 3HZ LYS 85 2.707 3.911 13.637 641 H VAL 86 H VAL 86 -1.089 4.443 7.870 642 HA VAL 86 HA VAL 86 -0.129 3.623 5.178 643 HB VAL 86 HB VAL 86 -2.769 4.899 6.021 644 1HG1 VAL 86 1HG1 VAL 86 -1.751 3.617 3.446 645 2HG1 VAL 86 2HG1 VAL 86 -3.478 3.931 3.769 646 3HG1 VAL 86 3HG1 VAL 86 -2.314 5.262 3.666 647 1HG2 VAL 86 1HG2 VAL 86 -3.632 2.552 5.720 648 2HG2 VAL 86 2HG2 VAL 86 -1.932 1.974 5.739 649 3HG2 VAL 86 3HG2 VAL 86 -2.645 2.784 7.136 650 H TYR 87 H TYR 87 1.208 5.018 4.239 651 HA TYR 87 HA TYR 87 1.195 7.881 4.772 652 1HB TYR 87 1HB TYR 87 2.934 5.878 3.336 653 2HB TYR 87 2HB TYR 87 2.996 7.540 2.781 654 HD1 TYR 87 HD1 TYR 87 4.356 9.033 3.962 655 HD2 TYR 87 HD2 TYR 87 3.098 5.441 5.964 656 HE1 TYR 87 HE1 TYR 87 5.548 9.779 5.903 657 HE2 TYR 87 HE2 TYR 87 4.301 6.181 8.011 658 HH TYR 87 HH TYR 87 5.971 9.342 8.189 659 H ARG 88 H ARG 88 1.186 9.349 2.912 660 HA ARG 88 HA ARG 88 -0.553 8.516 0.659 661 1HB ARG 88 1HB ARG 88 -1.050 10.678 1.821 662 2HB ARG 88 2HB ARG 88 0.548 11.253 1.417 663 1HG ARG 88 1HG ARG 88 -0.032 11.898 -0.592 664 2HG ARG 88 2HG ARG 88 -0.702 10.374 -1.025 665 1HD ARG 88 1HD ARG 88 -2.135 12.626 0.368 666 2HD ARG 88 2HD ARG 88 -2.209 12.145 -1.401 667 HE ARG 88 HE ARG 88 -3.216 10.047 0.080 668 1HH1 ARG 88 2HH2 ARG 88 -4.031 13.451 -0.577 669 2HH1 ARG 88 1HH2 ARG 88 -5.730 13.211 -0.533 670 1HH2 ARG 88 2HH1 ARG 88 -5.505 9.764 -0.074 671 2HH2 ARG 88 1HH1 ARG 88 -6.612 11.082 0.076 672 H PHE 89 H PHE 89 0.282 8.965 -1.464 673 HA PHE 89 HA PHE 89 3.119 9.458 -1.844 674 1HB PHE 89 1HB PHE 89 3.323 7.331 -2.520 675 2HB PHE 89 2HB PHE 89 1.643 7.033 -2.513 676 HD1 PHE 89 HD1 PHE 89 0.192 7.990 -4.442 677 HD2 PHE 89 HD2 PHE 89 4.434 7.091 -4.907 678 HE1 PHE 89 HE1 PHE 89 -0.108 7.676 -6.866 679 HE2 PHE 89 HE2 PHE 89 4.066 6.732 -7.189 680 HZ PHE 89 HZ PHE 89 1.844 7.023 -8.270 681 H GLU 90 H GLU 90 3.412 10.300 -4.262 682 HA GLU 90 HA GLU 90 1.005 11.190 -5.553 683 1HB GLU 90 1HB GLU 90 1.282 13.022 -3.884 684 2HB GLU 90 2HB GLU 90 2.826 13.427 -4.618 685 1HG GLU 90 1HG GLU 90 1.748 13.953 -6.752 686 2HG GLU 90 2HG GLU 90 0.193 13.363 -6.152 687 H GLY 91 H GLY 91 1.641 10.085 -7.271 688 1HA GLY 91 1HA GLY 91 2.595 9.742 -9.286 689 2HA GLY 91 2HA GLY 91 3.649 11.149 -9.057 690 H GLY 92 H GLY 92 4.101 8.202 -9.931 691 1HA GLY 92 1HA GLY 92 6.615 8.002 -9.548 692 2HA GLY 92 2HA GLY 92 6.120 7.448 -7.920 693 H THR 93 H THR 93 7.727 5.981 -9.699 694 HA THR 93 HA THR 93 6.075 3.625 -10.248 695 HB THR 93 HB THR 93 8.307 2.688 -10.909 696 HG1 THR 93 HG1 THR 93 9.866 4.571 -11.335 697 1HG2 THR 93 1HG2 THR 93 7.521 5.252 -12.358 698 2HG2 THR 93 2HG2 THR 93 8.466 3.908 -13.037 699 3HG2 THR 93 3HG2 THR 93 6.767 3.664 -12.587 700 H VAL 94 H VAL 94 6.878 1.539 -9.051 701 HA VAL 94 HA VAL 94 6.560 1.651 -6.426 702 HB VAL 94 HB VAL 94 8.358 -0.221 -7.992 703 1HG1 VAL 94 1HG1 VAL 94 7.256 -0.690 -5.197 704 2HG1 VAL 94 2HG1 VAL 94 8.237 -1.794 -6.204 705 3HG1 VAL 94 3HG1 VAL 94 8.957 -0.336 -5.563 706 1HG2 VAL 94 1HG2 VAL 94 5.508 -0.492 -6.991 707 2HG2 VAL 94 2HG2 VAL 94 5.969 -0.172 -8.669 708 3HG2 VAL 94 3HG2 VAL 94 6.419 -1.702 -7.932 709 H GLN 95 H GLN 95 9.929 2.006 -7.773 710 HA GLN 95 HA GLN 95 11.041 2.305 -5.261 711 1HB GLN 95 1HB GLN 95 12.242 2.025 -7.478 712 2HB GLN 95 2HB GLN 95 12.084 3.765 -7.723 713 1HG GLN 95 1HG GLN 95 13.433 4.285 -5.829 714 2HG GLN 95 2HG GLN 95 13.244 2.673 -5.130 715 1HE2 GLN 95 1HE2 GLN 95 15.729 4.036 -5.464 716 2HE2 GLN 95 2HE2 GLN 95 16.683 3.002 -6.541 717 H GLU 96 H GLU 96 9.201 4.790 -6.866 718 HA GLU 96 HA GLU 96 10.415 7.117 -5.634 719 1HB GLU 96 1HB GLU 96 7.763 6.498 -6.942 720 2HB GLU 96 2HB GLU 96 8.096 8.092 -6.312 721 1HG GLU 96 1HG GLU 96 9.599 6.643 -8.546 722 2HG GLU 96 2HG GLU 96 8.479 7.990 -8.720 723 H ALA 97 H ALA 97 7.466 5.090 -5.033 724 HA ALA 97 HA ALA 97 6.518 6.393 -2.786 725 1HB ALA 97 1HB ALA 97 5.273 4.566 -3.666 726 2HB ALA 97 2HB ALA 97 6.683 3.485 -3.669 727 3HB ALA 97 3HB ALA 97 5.914 3.871 -2.158 728 H ILE 98 H ILE 98 9.378 4.352 -3.033 729 HA ILE 98 HA ILE 98 9.737 4.090 -0.115 730 HB ILE 98 HB ILE 98 11.769 3.306 -2.240 731 1HG1 ILE 98 1HG1 ILE 98 9.879 2.615 -3.241 732 2HG1 ILE 98 2HG1 ILE 98 10.720 1.190 -2.626 733 1HG2 ILE 98 1HG2 ILE 98 10.886 2.106 0.447 734 2HG2 ILE 98 2HG2 ILE 98 12.084 1.371 -0.631 735 3HG2 ILE 98 3HG2 ILE 98 12.410 2.948 0.099 736 1HD1 ILE 98 1HD1 ILE 98 9.096 1.075 -0.728 737 2HD1 ILE 98 2HD1 ILE 98 8.162 2.411 -1.443 738 3HD1 ILE 98 3HD1 ILE 98 8.360 0.888 -2.337 739 H ASP 99 H ASP 99 11.558 5.439 -2.916 740 HA ASP 99 HA ASP 99 13.641 6.654 -1.469 741 1HB ASP 99 1HB ASP 99 12.631 6.699 -4.231 742 2HB ASP 99 2HB ASP 99 13.233 8.264 -3.716 743 H ALA 100 H ALA 100 10.349 7.693 -2.249 744 HA ALA 100 HA ALA 100 10.743 10.439 -1.360 745 1HB ALA 100 1HB ALA 100 8.312 10.615 -1.606 746 2HB ALA 100 2HB ALA 100 9.000 9.779 -3.015 747 3HB ALA 100 3HB ALA 100 8.168 8.842 -1.770 748 H PHE 101 H PHE 101 9.096 7.547 0.058 749 HA PHE 101 HA PHE 101 8.479 8.720 2.544 750 1HB PHE 101 1HB PHE 101 7.407 6.687 1.998 751 2HB PHE 101 2HB PHE 101 8.890 5.924 1.476 752 HD1 PHE 101 HD1 PHE 101 10.132 4.502 2.786 753 HD2 PHE 101 HD2 PHE 101 7.022 6.901 4.581 754 HE1 PHE 101 HE1 PHE 101 10.327 3.187 4.853 755 HE2 PHE 101 HE2 PHE 101 7.206 5.557 6.664 756 HZ PHE 101 HZ PHE 101 8.823 3.679 6.804 757 H SER 102 H SER 102 11.365 6.985 1.513 758 HA SER 102 HA SER 102 12.559 6.723 4.117 759 1HB SER 102 1HB SER 102 14.488 5.919 2.826 760 2HB SER 102 2HB SER 102 12.934 5.174 2.262 761 HG SER 102 HG SER 102 12.955 6.364 0.522 762 H GLU 103 H GLU 103 13.042 9.008 1.329 763 HA GLU 103 HA GLU 103 14.699 10.724 3.055 764 1HB GLU 103 1HB GLU 103 13.806 11.003 0.164 765 2HB GLU 103 2HB GLU 103 14.983 12.022 0.954 766 1HG GLU 103 1HG GLU 103 15.539 9.027 0.944 767 2HG GLU 103 2HG GLU 103 15.643 9.861 -0.574 768 H GLY 104 H GLY 104 12.086 10.181 3.831 769 1HA GLY 104 1HA GLY 104 10.376 11.060 4.888 770 2HA GLY 104 2HA GLY 104 11.398 12.512 5.046 771 H ARG 105 H ARG 105 10.539 11.991 1.805 772 HA ARG 105 HA ARG 105 8.892 14.444 1.855 773 1HB ARG 105 1HB ARG 105 10.062 12.632 -0.302 774 2HB ARG 105 2HB ARG 105 9.076 14.043 -0.672 775 1HG ARG 105 1HG ARG 105 10.654 15.562 -0.070 776 2HG ARG 105 2HG ARG 105 11.456 14.514 1.097 777 1HD ARG 105 1HD ARG 105 12.641 13.318 -0.523 778 2HD ARG 105 2HD ARG 105 11.485 13.715 -1.800 779 HE ARG 105 HE ARG 105 13.389 15.634 -0.542 780 1HH1 ARG 105 2HH2 ARG 105 12.054 14.285 -3.518 781 2HH1 ARG 105 1HH2 ARG 105 12.237 15.700 -4.495 782 1HH2 ARG 105 2HH1 ARG 105 13.838 17.528 -1.891 783 2HH2 ARG 105 1HH1 ARG 105 13.266 17.577 -3.532 784 H LEU 106 H LEU 106 7.550 12.150 3.033 785 HA LEU 106 HA LEU 106 5.252 12.166 1.199 786 1HB LEU 106 1HB LEU 106 6.219 9.708 2.680 787 2HB LEU 106 2HB LEU 106 4.601 9.918 2.051 788 HG LEU 106 HG LEU 106 7.192 9.674 0.512 789 1HD1 LEU 106 1HD1 LEU 106 4.674 8.044 0.045 790 2HD1 LEU 106 2HD1 LEU 106 6.350 7.609 -0.208 791 3HD1 LEU 106 3HD1 LEU 106 5.669 7.680 1.444 792 1HD2 LEU 106 1HD2 LEU 106 5.551 9.585 -1.591 793 2HD2 LEU 106 2HD2 LEU 106 4.461 10.537 -0.552 794 3HD2 LEU 106 3HD2 LEU 106 6.048 11.155 -1.001 795 H GLU 107 H GLU 107 3.385 11.005 2.924 796 HA GLU 107 HA GLU 107 3.361 12.793 5.295 797 1HB GLU 107 1HB GLU 107 1.288 12.494 3.074 798 2HB GLU 107 2HB GLU 107 1.031 13.406 4.554 799 1HG GLU 107 1HG GLU 107 3.319 14.079 2.657 800 2HG GLU 107 2HG GLU 107 1.685 14.672 2.392 801 H GLU 108 H GLU 108 2.029 11.935 6.977 802 HA GLU 108 HA GLU 108 1.284 9.112 6.824 803 1HB GLU 108 1HB GLU 108 2.325 10.749 8.797 804 2HB GLU 108 2HB GLU 108 0.605 10.903 9.120 805 1HG GLU 108 1HG GLU 108 0.709 8.228 9.004 806 2HG GLU 108 2HG GLU 108 2.414 8.476 9.242 807 H LEU 109 H LEU 109 -0.563 8.643 5.832 808 HA LEU 109 HA LEU 109 -2.656 10.686 5.463 809 1HB LEU 109 1HB LEU 109 -1.707 9.493 3.496 810 2HB LEU 109 2HB LEU 109 -2.428 7.992 4.177 811 HG LEU 109 HG LEU 109 -4.611 9.336 4.159 812 1HD1 LEU 109 1HD1 LEU 109 -4.844 11.148 2.575 813 2HD1 LEU 109 2HD1 LEU 109 -3.759 11.586 3.888 814 3HD1 LEU 109 3HD1 LEU 109 -3.065 11.179 2.357 815 1HD2 LEU 109 1HD2 LEU 109 -4.191 7.524 2.637 816 2HD2 LEU 109 2HD2 LEU 109 -5.206 8.800 1.963 817 3HD2 LEU 109 3HD2 LEU 109 -3.466 8.658 1.483 818 H THR 110 H THR 110 -2.498 9.924 8.179 819 HA THR 110 HA THR 110 -3.971 7.436 8.503 820 HB THR 110 HB THR 110 -3.379 8.051 10.975 821 HG1 THR 110 HG1 THR 110 -1.414 9.591 10.740 822 1HG2 THR 110 1HG2 THR 110 -1.293 7.678 8.795 823 2HG2 THR 110 2HG2 THR 110 -1.012 7.403 10.538 824 3HG2 THR 110 3HG2 THR 110 -2.172 6.407 9.657 825 H THR 111 H THR 111 -5.629 9.478 7.344 826 HA THR 111 HA THR 111 -7.953 9.245 9.003 827 HB THR 111 HB THR 111 -6.808 10.848 10.448 828 HG1 THR 111 HG1 THR 111 -8.871 11.134 10.595 829 1HG2 THR 111 1HG2 THR 111 -5.370 12.034 8.857 830 2HG2 THR 111 2HG2 THR 111 -6.797 12.804 8.126 831 3HG2 THR 111 3HG2 THR 111 -6.350 13.147 9.806 832 H PHE 112 H PHE 112 -7.413 8.713 6.178 833 HA PHE 112 HA PHE 112 -9.127 10.760 4.882 834 1HB PHE 112 1HB PHE 112 -6.566 9.770 3.733 835 2HB PHE 112 2HB PHE 112 -7.727 10.796 2.954 836 HD1 PHE 112 HD1 PHE 112 -5.575 10.819 6.080 837 HD2 PHE 112 HD2 PHE 112 -7.240 13.047 2.803 838 HE1 PHE 112 HE1 PHE 112 -4.275 12.806 6.785 839 HE2 PHE 112 HE2 PHE 112 -5.883 15.006 3.462 840 HZ PHE 112 HZ PHE 112 -4.396 14.882 5.469 841 H THR 113 H THR 113 -10.651 9.905 3.874 842 HA THR 113 HA THR 113 -10.436 7.356 2.416 843 HB THR 113 HB THR 113 -12.834 7.323 4.152 844 HG1 THR 113 HG1 THR 113 -11.785 6.654 6.020 845 1HG2 THR 113 1HG2 THR 113 -12.198 4.981 4.411 846 2HG2 THR 113 2HG2 THR 113 -12.039 5.445 2.712 847 3HG2 THR 113 3HG2 THR 113 -10.589 5.311 3.737 848 H ARG 114 H ARG 114 -10.794 10.069 1.622 849 HA ARG 114 HA ARG 114 -13.608 10.035 0.621 850 1HB ARG 114 1HB ARG 114 -13.190 11.996 1.974 851 2HB ARG 114 2HB ARG 114 -11.778 12.424 1.000 852 1HG ARG 114 1HG ARG 114 -13.745 13.783 0.400 853 2HG ARG 114 2HG ARG 114 -13.225 12.799 -0.961 854 1HD ARG 114 1HD ARG 114 -15.028 11.175 -0.513 855 2HD ARG 114 2HD ARG 114 -15.525 12.107 0.919 856 HE ARG 114 HE ARG 114 -15.468 13.278 -1.814 857 1HH1 ARG 114 2HH2 ARG 114 -17.549 12.131 0.914 858 2HH1 ARG 114 1HH2 ARG 114 -19.013 12.408 0.058 859 1HH2 ARG 114 2HH1 ARG 114 -17.428 14.031 -2.700 860 2HH2 ARG 114 1HH1 ARG 114 -18.945 13.527 -2.025 861 H GLU 115 H GLU 115 -13.531 8.953 -1.124 862 HA GLU 115 HA GLU 115 -11.394 9.236 -3.147 863 1HB GLU 115 1HB GLU 115 -11.991 7.044 -2.135 864 2HB GLU 115 2HB GLU 115 -13.658 7.249 -2.668 865 1HG GLU 115 1HG GLU 115 -12.817 7.207 -5.061 866 2HG GLU 115 2HG GLU 115 -11.201 6.863 -4.431 867 H GLY 116 H GLY 116 -12.163 11.399 -3.811 868 1HA GLY 116 1HA GLY 116 -13.041 12.183 -5.871 869 2HA GLY 116 2HA GLY 116 -14.499 11.221 -5.645 Start of MODEL 16 1 1H MET 1 H1 MET 1 11.628 -3.190 13.402 2 HA MET 1 HA MET 1 12.598 -3.515 10.630 3 1HB MET 1 1HB MET 1 11.751 -5.816 10.616 4 2HB MET 1 2HB MET 1 12.999 -5.611 11.837 5 1HG MET 1 1HG MET 1 10.946 -5.193 13.457 6 2HG MET 1 2HG MET 1 10.035 -6.047 12.213 7 1HE MET 1 1HE MET 1 10.730 -6.540 15.447 8 2HE MET 1 2HE MET 1 9.470 -7.444 14.583 9 3HE MET 1 3HE MET 1 10.732 -8.314 15.480 10 H ALA 2 H ALA 2 11.069 -2.650 9.191 11 HA ALA 2 HA ALA 2 8.244 -3.000 9.951 12 1HB ALA 2 1HB ALA 2 9.274 -0.641 10.560 13 2HB ALA 2 2HB ALA 2 9.021 -0.337 8.823 14 3HB ALA 2 3HB ALA 2 7.664 -0.825 9.868 15 H ARG 3 H ARG 3 7.225 -4.065 8.471 16 HA ARG 3 HA ARG 3 8.271 -4.185 5.714 17 1HB ARG 3 1HB ARG 3 6.016 -5.599 7.190 18 2HB ARG 3 2HB ARG 3 6.388 -5.787 5.470 19 1HG ARG 3 1HG ARG 3 8.791 -6.360 6.311 20 2HG ARG 3 2HG ARG 3 8.066 -6.522 7.920 21 1HD ARG 3 1HD ARG 3 6.412 -8.133 6.750 22 2HD ARG 3 2HD ARG 3 7.593 -8.127 5.411 23 HE ARG 3 HE ARG 3 8.487 -8.811 8.167 24 1HH1 ARG 3 2HH2 ARG 3 8.077 -9.916 4.834 25 2HH1 ARG 3 1HH2 ARG 3 8.684 -11.500 5.137 26 1HH2 ARG 3 2HH1 ARG 3 9.435 -10.759 8.524 27 2HH2 ARG 3 1HH1 ARG 3 9.799 -11.845 7.220 28 H VAL 4 H VAL 4 7.745 -2.542 4.484 29 HA VAL 4 HA VAL 4 5.161 -1.107 4.797 30 HB VAL 4 HB VAL 4 7.678 -0.167 4.549 31 1HG1 VAL 4 1HG1 VAL 4 7.940 -1.612 2.519 32 2HG1 VAL 4 2HG1 VAL 4 6.969 -0.431 1.635 33 3HG1 VAL 4 3HG1 VAL 4 8.518 0.071 2.371 34 1HG2 VAL 4 1HG2 VAL 4 5.260 1.078 3.264 35 2HG2 VAL 4 2HG2 VAL 4 6.367 1.689 4.549 36 3HG2 VAL 4 3HG2 VAL 4 6.869 1.731 2.899 37 H ALA 5 H ALA 5 3.563 -1.107 2.885 38 HA ALA 5 HA ALA 5 4.417 -3.097 0.850 39 1HB ALA 5 1HB ALA 5 2.073 -3.745 0.632 40 2HB ALA 5 2HB ALA 5 2.772 -4.174 2.203 41 3HB ALA 5 3HB ALA 5 1.698 -2.774 2.081 42 H ILE 6 H ILE 6 3.996 -2.340 -1.267 43 HA ILE 6 HA ILE 6 2.900 0.406 -1.462 44 HB ILE 6 HB ILE 6 5.154 -0.630 -3.154 45 1HG1 ILE 6 1HG1 ILE 6 6.331 1.327 -1.776 46 2HG1 ILE 6 2HG1 ILE 6 5.220 0.819 -0.517 47 1HG2 ILE 6 1HG2 ILE 6 4.044 2.167 -2.763 48 2HG2 ILE 6 2HG2 ILE 6 5.358 1.667 -3.858 49 3HG2 ILE 6 3HG2 ILE 6 3.711 1.105 -4.149 50 1HD1 ILE 6 1HD1 ILE 6 7.099 -1.094 -1.994 51 2HD1 ILE 6 2HD1 ILE 6 7.528 -0.263 -0.497 52 3HD1 ILE 6 3HD1 ILE 6 6.198 -1.410 -0.484 53 HA PRO 7 HA PRO 7 0.101 -1.803 -4.240 54 1HB PRO 7 1HB PRO 7 -1.403 0.407 -4.914 55 2HB PRO 7 2HB PRO 7 -1.520 -0.439 -3.328 56 1HG PRO 7 1HG PRO 7 -0.185 2.155 -4.075 57 2HG PRO 7 2HG PRO 7 -0.949 1.737 -2.515 58 1HD PRO 7 1HD PRO 7 1.658 1.678 -3.096 59 2HD PRO 7 2HD PRO 7 0.884 0.851 -1.689 60 H SER 8 H SER 8 1.212 -2.428 -6.046 61 HA SER 8 HA SER 8 2.256 -0.389 -7.961 62 1HB SER 8 1HB SER 8 3.885 -1.987 -7.035 63 2HB SER 8 2HB SER 8 2.891 -3.338 -7.545 64 HG SER 8 HG SER 8 4.307 -3.176 -9.140 65 H VAL 9 H VAL 9 2.095 -1.216 -10.242 66 HA VAL 9 HA VAL 9 -0.255 -2.963 -10.858 67 HB VAL 9 HB VAL 9 -0.671 -1.470 -12.853 68 1HG1 VAL 9 1HG1 VAL 9 -1.131 -0.479 -10.050 69 2HG1 VAL 9 2HG1 VAL 9 -1.775 0.380 -11.446 70 3HG1 VAL 9 3HG1 VAL 9 -2.265 -1.323 -11.125 71 1HG2 VAL 9 1HG2 VAL 9 1.605 -0.215 -12.567 72 2HG2 VAL 9 2HG2 VAL 9 0.172 0.736 -12.990 73 3HG2 VAL 9 3HG2 VAL 9 0.751 0.728 -11.326 74 H GLY 10 H GLY 10 2.564 -3.648 -10.563 75 1HA GLY 10 1HA GLY 10 2.807 -5.327 -12.766 76 2HA GLY 10 2HA GLY 10 3.946 -3.991 -12.989 77 H LYS 11 H LYS 11 5.287 -6.172 -12.711 78 HA LYS 11 HA LYS 11 5.845 -6.784 -9.857 79 1HB LYS 11 1HB LYS 11 6.253 -8.554 -12.322 80 2HB LYS 11 2HB LYS 11 6.556 -8.999 -10.628 81 1HG LYS 11 1HG LYS 11 4.153 -8.710 -10.208 82 2HG LYS 11 2HG LYS 11 3.937 -8.460 -11.949 83 1HD LYS 11 1HD LYS 11 3.817 -10.648 -12.265 84 2HD LYS 11 2HD LYS 11 5.459 -10.873 -11.695 85 1HE LYS 11 1HE LYS 11 3.082 -10.690 -9.773 86 2HE LYS 11 2HE LYS 11 3.513 -12.189 -10.585 87 1HZ LYS 11 1HZ LYS 11 5.735 -11.987 -9.601 88 2HZ LYS 11 2HZ LYS 11 5.236 -10.706 -8.706 89 3HZ LYS 11 3HZ LYS 11 4.549 -12.207 -8.507 90 H ASP 12 H ASP 12 6.968 -4.443 -11.031 91 HA ASP 12 HA ASP 12 9.834 -5.203 -10.985 92 1HB ASP 12 1HB ASP 12 8.852 -4.459 -13.313 93 2HB ASP 12 2HB ASP 12 8.750 -2.864 -12.554 94 H LEU 13 H LEU 13 11.074 -3.521 -10.101 95 HA LEU 13 HA LEU 13 9.827 -2.058 -7.894 96 1HB LEU 13 1HB LEU 13 12.128 -3.372 -8.153 97 2HB LEU 13 2HB LEU 13 12.672 -1.839 -8.805 98 HG LEU 13 HG LEU 13 13.317 -2.125 -6.478 99 1HD1 LEU 13 1HD1 LEU 13 11.130 -0.036 -6.511 100 2HD1 LEU 13 2HD1 LEU 13 12.631 -0.042 -5.568 101 3HD1 LEU 13 3HD1 LEU 13 12.691 0.125 -7.342 102 1HD2 LEU 13 1HD2 LEU 13 11.546 -3.655 -5.726 103 2HD2 LEU 13 2HD2 LEU 13 11.747 -2.275 -4.621 104 3HD2 LEU 13 3HD2 LEU 13 10.375 -2.331 -5.737 105 H SER 14 H SER 14 10.736 -1.584 -11.210 106 HA SER 14 HA SER 14 10.035 1.321 -11.016 107 1HB SER 14 1HB SER 14 12.225 0.410 -12.119 108 2HB SER 14 2HB SER 14 11.091 -0.297 -13.291 109 HG SER 14 HG SER 14 11.387 2.511 -12.731 110 H SER 15 H SER 15 8.014 -0.899 -10.688 111 HA SER 15 HA SER 15 6.503 -0.479 -13.169 112 1HB SER 15 1HB SER 15 5.886 -1.948 -10.564 113 2HB SER 15 2HB SER 15 4.645 -1.644 -11.786 114 HG SER 15 HG SER 15 5.905 -2.744 -13.306 115 H MET 16 H MET 16 4.212 0.615 -12.791 116 HA MET 16 HA MET 16 4.658 3.108 -11.383 117 1HB MET 16 1HB MET 16 2.563 1.884 -13.144 118 2HB MET 16 2HB MET 16 2.004 3.108 -12.040 119 1HG MET 16 1HG MET 16 4.366 4.219 -13.128 120 2HG MET 16 2HG MET 16 3.635 3.349 -14.475 121 1HE MET 16 1HE MET 16 1.582 5.093 -11.445 122 2HE MET 16 2HE MET 16 3.202 5.833 -11.613 123 3HE MET 16 3HE MET 16 1.735 6.768 -12.003 124 H VAL 17 H VAL 17 3.709 3.927 -9.496 125 HA VAL 17 HA VAL 17 2.380 1.975 -7.733 126 HB VAL 17 HB VAL 17 3.420 4.773 -7.238 127 1HG1 VAL 17 1HG1 VAL 17 1.450 4.505 -5.746 128 2HG1 VAL 17 2HG1 VAL 17 2.100 2.954 -5.180 129 3HG1 VAL 17 3HG1 VAL 17 2.994 4.462 -4.868 130 1HG2 VAL 17 1HG2 VAL 17 4.159 2.088 -6.051 131 2HG2 VAL 17 2HG2 VAL 17 4.915 2.807 -7.445 132 3HG2 VAL 17 3HG2 VAL 17 5.030 3.654 -5.893 133 H SER 18 H SER 18 0.383 2.018 -7.215 134 HA SER 18 HA SER 18 -1.494 3.270 -9.106 135 1HB SER 18 1HB SER 18 -1.088 0.729 -8.439 136 2HB SER 18 2HB SER 18 -2.051 1.095 -7.041 137 HG SER 18 HG SER 18 -2.783 0.614 -9.599 138 H ASP 19 H ASP 19 -3.026 4.732 -8.463 139 HA ASP 19 HA ASP 19 -2.582 5.967 -5.928 140 1HB ASP 19 1HB ASP 19 -4.471 6.477 -8.240 141 2HB ASP 19 2HB ASP 19 -4.583 7.458 -6.783 142 H ARG 20 H ARG 20 -3.601 3.311 -5.417 143 HA ARG 20 HA ARG 20 -6.212 3.686 -4.144 144 1HB ARG 20 1HB ARG 20 -6.609 1.529 -5.953 145 2HB ARG 20 2HB ARG 20 -7.466 3.005 -5.940 146 1HG ARG 20 1HG ARG 20 -5.756 3.968 -7.520 147 2HG ARG 20 2HG ARG 20 -5.019 2.365 -7.607 148 1HD ARG 20 1HD ARG 20 -6.745 1.594 -8.961 149 2HD ARG 20 2HD ARG 20 -7.946 2.617 -8.141 150 HE ARG 20 HE ARG 20 -7.734 4.095 -9.849 151 1HH1 ARG 20 2HH2 ARG 20 -4.676 2.218 -9.730 152 2HH1 ARG 20 1HH2 ARG 20 -3.922 3.225 -10.909 153 1HH2 ARG 20 2HH1 ARG 20 -6.528 5.544 -11.292 154 2HH2 ARG 20 1HH1 ARG 20 -4.980 5.024 -11.847 155 H PHE 21 H PHE 21 -5.147 2.688 -2.113 156 HA PHE 21 HA PHE 21 -3.625 0.332 -2.412 157 1HB PHE 21 1HB PHE 21 -3.599 1.742 -0.444 158 2HB PHE 21 2HB PHE 21 -5.293 1.594 -0.170 159 HD1 PHE 21 HD1 PHE 21 -2.470 -0.792 -0.731 160 HD2 PHE 21 HD2 PHE 21 -5.841 0.240 1.747 161 HE1 PHE 21 HE1 PHE 21 -2.249 -2.910 0.411 162 HE2 PHE 21 HE2 PHE 21 -5.500 -1.813 3.071 163 HZ PHE 21 HZ PHE 21 -3.659 -3.397 2.463 164 H ALA 22 H ALA 22 -7.047 0.645 -2.526 165 HA ALA 22 HA ALA 22 -7.331 -2.212 -1.674 166 1HB ALA 22 1HB ALA 22 -9.674 -1.868 -1.336 167 2HB ALA 22 2HB ALA 22 -8.851 -0.547 -0.504 168 3HB ALA 22 3HB ALA 22 -9.654 -0.289 -2.084 169 H ARG 23 H ARG 23 -6.955 -0.315 -4.709 170 HA ARG 23 HA ARG 23 -7.655 -2.729 -5.936 171 1HB ARG 23 1HB ARG 23 -8.208 -1.467 -7.728 172 2HB ARG 23 2HB ARG 23 -9.427 -1.583 -6.314 173 1HG ARG 23 1HG ARG 23 -8.927 0.603 -5.755 174 2HG ARG 23 2HG ARG 23 -7.984 0.753 -7.270 175 1HD ARG 23 1HD ARG 23 -10.003 1.630 -7.978 176 2HD ARG 23 2HD ARG 23 -10.008 -0.050 -8.511 177 HE ARG 23 HE ARG 23 -11.693 1.268 -6.494 178 1HH1 ARG 23 2HH2 ARG 23 -11.072 -1.752 -8.357 179 2HH1 ARG 23 1HH2 ARG 23 -12.745 -2.155 -8.301 180 1HH2 ARG 23 2HH1 ARG 23 -13.835 0.448 -6.226 181 2HH2 ARG 23 1HH1 ARG 23 -14.249 -0.914 -7.209 182 H ALA 24 H ALA 24 -5.318 -3.090 -5.511 183 HA ALA 24 HA ALA 24 -3.854 -1.772 -7.668 184 1HB ALA 24 1HB ALA 24 -3.045 -0.643 -5.624 185 2HB ALA 24 2HB ALA 24 -2.740 -2.168 -4.797 186 3HB ALA 24 3HB ALA 24 -1.752 -1.704 -6.194 187 H GLU 25 H GLU 25 -2.839 -3.273 -8.884 188 HA GLU 25 HA GLU 25 -3.812 -5.957 -8.574 189 1HB GLU 25 1HB GLU 25 -2.033 -4.489 -10.558 190 2HB GLU 25 2HB GLU 25 -2.500 -6.205 -10.764 191 1HG GLU 25 1HG GLU 25 -4.954 -5.259 -10.462 192 2HG GLU 25 2HG GLU 25 -4.213 -3.708 -10.855 193 H TYR 26 H TYR 26 -0.819 -4.467 -7.522 194 HA TYR 26 HA TYR 26 0.254 -7.079 -6.822 195 1HB TYR 26 1HB TYR 26 1.752 -4.897 -8.335 196 2HB TYR 26 2HB TYR 26 2.493 -6.340 -7.664 197 HD1 TYR 26 HD1 TYR 26 0.336 -4.961 -10.298 198 HD2 TYR 26 HD2 TYR 26 2.193 -8.515 -8.786 199 HE1 TYR 26 HE1 TYR 26 0.079 -6.005 -12.541 200 HE2 TYR 26 HE2 TYR 26 2.017 -9.546 -11.059 201 HH TYR 26 HH TYR 26 1.415 -7.832 -13.807 202 H PHE 27 H PHE 27 1.786 -6.840 -5.099 203 HA PHE 27 HA PHE 27 1.719 -4.280 -3.597 204 1HB PHE 27 1HB PHE 27 0.803 -7.020 -2.678 205 2HB PHE 27 2HB PHE 27 1.335 -5.760 -1.550 206 HD1 PHE 27 HD1 PHE 27 0.284 -3.439 -1.852 207 HD2 PHE 27 HD2 PHE 27 -1.411 -7.013 -3.528 208 HE1 PHE 27 HE1 PHE 27 -1.881 -2.290 -2.102 209 HE2 PHE 27 HE2 PHE 27 -3.585 -5.857 -3.798 210 HZ PHE 27 HZ PHE 27 -3.801 -3.467 -3.059 211 H ILE 28 H ILE 28 3.745 -3.792 -3.508 212 HA ILE 28 HA ILE 28 5.903 -5.818 -3.553 213 HB ILE 28 HB ILE 28 5.775 -2.817 -3.985 214 1HG1 ILE 28 1HG1 ILE 28 6.361 -3.205 -6.232 215 2HG1 ILE 28 2HG1 ILE 28 6.946 -4.826 -5.942 216 1HG2 ILE 28 1HG2 ILE 28 8.225 -2.923 -4.426 217 2HG2 ILE 28 2HG2 ILE 28 7.877 -3.375 -2.763 218 3HG2 ILE 28 3HG2 ILE 28 8.213 -4.624 -3.994 219 1HD1 ILE 28 1HD1 ILE 28 4.911 -4.771 -7.302 220 2HD1 ILE 28 2HD1 ILE 28 4.724 -5.715 -5.817 221 3HD1 ILE 28 3HD1 ILE 28 4.024 -4.088 -5.914 222 H ILE 29 H ILE 29 6.749 -6.410 -1.590 223 HA ILE 29 HA ILE 29 6.142 -4.669 0.766 224 HB ILE 29 HB ILE 29 6.320 -7.690 0.658 225 1HG1 ILE 29 1HG1 ILE 29 3.913 -5.836 0.976 226 2HG1 ILE 29 2HG1 ILE 29 4.320 -6.744 -0.475 227 1HG2 ILE 29 1HG2 ILE 29 7.073 -6.840 2.835 228 2HG2 ILE 29 2HG2 ILE 29 5.644 -5.804 2.953 229 3HG2 ILE 29 3HG2 ILE 29 5.489 -7.575 3.018 230 1HD1 ILE 29 1HD1 ILE 29 2.663 -8.001 0.537 231 2HD1 ILE 29 2HD1 ILE 29 4.157 -8.870 0.922 232 3HD1 ILE 29 3HD1 ILE 29 3.370 -7.845 2.157 233 H TYR 30 H TYR 30 7.836 -3.545 1.121 234 HA TYR 30 HA TYR 30 10.590 -4.610 0.745 235 1HB TYR 30 1HB TYR 30 9.696 -2.255 -0.017 236 2HB TYR 30 2HB TYR 30 9.744 -1.825 1.690 237 HD1 TYR 30 HD1 TYR 30 11.807 -2.997 -1.150 238 HD2 TYR 30 HD2 TYR 30 11.772 -1.206 2.766 239 HE1 TYR 30 HE1 TYR 30 14.260 -2.704 -1.277 240 HE2 TYR 30 HE2 TYR 30 14.263 -0.869 2.617 241 HH TYR 30 HH TYR 30 16.119 -2.098 -0.201 242 H ASP 31 H ASP 31 11.524 -5.590 2.421 243 HA ASP 31 HA ASP 31 10.537 -5.304 5.180 244 1HB ASP 31 1HB ASP 31 11.552 -7.408 3.667 245 2HB ASP 31 2HB ASP 31 12.945 -6.971 4.613 246 H THR 32 H THR 32 11.536 -3.766 6.597 247 HA THR 32 HA THR 32 14.148 -2.687 5.649 248 HB THR 32 HB THR 32 13.764 -0.977 7.439 249 HG1 THR 32 HG1 THR 32 11.056 -1.712 7.218 250 1HG2 THR 32 1HG2 THR 32 13.405 -0.619 4.998 251 2HG2 THR 32 2HG2 THR 32 11.720 -1.155 5.173 252 3HG2 THR 32 3HG2 THR 32 12.288 0.316 5.985 253 H GLU 33 H GLU 33 14.734 -5.075 6.166 254 HA GLU 33 HA GLU 33 16.637 -4.640 8.291 255 1HB GLU 33 1HB GLU 33 14.594 -6.841 8.469 256 2HB GLU 33 2HB GLU 33 16.276 -7.387 8.552 257 1HG GLU 33 1HG GLU 33 16.544 -5.380 10.233 258 2HG GLU 33 2HG GLU 33 14.795 -5.442 10.343 259 H SER 34 H SER 34 15.827 -6.783 5.555 260 HA SER 34 HA SER 34 18.672 -6.185 5.030 261 1HB SER 34 1HB SER 34 17.200 -8.847 5.121 262 2HB SER 34 2HB SER 34 18.699 -8.715 4.164 263 HG SER 34 HG SER 34 19.780 -8.070 5.985 264 H GLY 35 H GLY 35 16.299 -4.938 3.876 265 1HA GLY 35 1HA GLY 35 15.761 -3.982 1.922 266 2HA GLY 35 2HA GLY 35 17.320 -4.427 1.303 267 H ASN 36 H ASN 36 15.282 -7.039 2.324 268 HA ASN 36 HA ASN 36 15.061 -8.119 -0.392 269 1HB ASN 36 1HB ASN 36 15.658 -9.614 1.539 270 2HB ASN 36 2HB ASN 36 14.094 -9.185 2.278 271 1HD2 ASN 36 1HD2 ASN 36 12.371 -10.634 1.830 272 2HD2 ASN 36 2HD2 ASN 36 12.381 -11.670 0.430 273 H VAL 37 H VAL 37 13.240 -8.170 -1.445 274 HA VAL 37 HA VAL 37 10.838 -6.893 -0.330 275 HB VAL 37 HB VAL 37 11.417 -6.910 -3.284 276 1HG1 VAL 37 1HG1 VAL 37 10.263 -4.723 -3.139 277 2HG1 VAL 37 2HG1 VAL 37 9.253 -6.017 -2.491 278 3HG1 VAL 37 3HG1 VAL 37 10.104 -4.912 -1.385 279 1HG2 VAL 37 1HG2 VAL 37 12.526 -4.648 -3.012 280 2HG2 VAL 37 2HG2 VAL 37 12.764 -5.062 -1.294 281 3HG2 VAL 37 3HG2 VAL 37 13.521 -6.042 -2.557 282 H GLU 38 H GLU 38 8.807 -7.635 -1.615 283 HA GLU 38 HA GLU 38 8.912 -10.332 -2.735 284 1HB GLU 38 1HB GLU 38 8.277 -10.742 -0.379 285 2HB GLU 38 2HB GLU 38 7.160 -9.394 -0.411 286 1HG GLU 38 1HG GLU 38 5.952 -11.465 -0.473 287 2HG GLU 38 2HG GLU 38 5.672 -10.576 -1.945 288 H VAL 39 H VAL 39 7.312 -10.453 -4.355 289 HA VAL 39 HA VAL 39 5.550 -8.077 -4.738 290 HB VAL 39 HB VAL 39 6.489 -9.984 -6.916 291 1HG1 VAL 39 1HG1 VAL 39 5.241 -8.374 -8.386 292 2HG1 VAL 39 2HG1 VAL 39 4.167 -9.279 -7.302 293 3HG1 VAL 39 3HG1 VAL 39 4.568 -7.602 -6.956 294 1HG2 VAL 39 1HG2 VAL 39 7.539 -7.957 -7.918 295 2HG2 VAL 39 2HG2 VAL 39 7.136 -7.044 -6.449 296 3HG2 VAL 39 3HG2 VAL 39 8.269 -8.402 -6.380 297 H VAL 40 H VAL 40 3.791 -8.628 -3.716 298 HA VAL 40 HA VAL 40 2.490 -11.277 -4.041 299 HB VAL 40 HB VAL 40 1.982 -8.700 -2.544 300 1HG1 VAL 40 1HG1 VAL 40 -0.220 -10.720 -3.143 301 2HG1 VAL 40 2HG1 VAL 40 -0.310 -9.393 -1.955 302 3HG1 VAL 40 3HG1 VAL 40 -0.165 -9.020 -3.674 303 1HG2 VAL 40 1HG2 VAL 40 1.612 -10.215 -0.659 304 2HG2 VAL 40 2HG2 VAL 40 1.806 -11.626 -1.740 305 3HG2 VAL 40 3HG2 VAL 40 3.172 -10.533 -1.439 306 H GLU 41 H GLU 41 1.338 -11.642 -5.748 307 HA GLU 41 HA GLU 41 0.270 -9.601 -7.646 308 1HB GLU 41 1HB GLU 41 1.333 -11.730 -8.440 309 2HB GLU 41 2HB GLU 41 0.254 -12.640 -7.386 310 1HG GLU 41 1HG GLU 41 -1.680 -11.729 -8.816 311 2HG GLU 41 2HG GLU 41 -0.421 -11.261 -9.980 312 H ASN 42 H ASN 42 -2.005 -8.971 -7.355 313 HA ASN 42 HA ASN 42 -3.679 -10.730 -5.715 314 1HB ASN 42 1HB ASN 42 -2.466 -8.963 -4.230 315 2HB ASN 42 2HB ASN 42 -3.609 -7.824 -4.944 316 1HD2 ASN 42 1HD2 ASN 42 -3.135 -9.751 -2.302 317 2HD2 ASN 42 2HD2 ASN 42 -4.785 -10.176 -1.931 318 H THR 43 H THR 43 -5.590 -10.966 -6.697 319 HA THR 43 HA THR 43 -5.881 -9.406 -9.127 320 HB THR 43 HB THR 43 -7.063 -11.498 -9.799 321 HG1 THR 43 HG1 THR 43 -7.571 -12.932 -8.374 322 1HG2 THR 43 1HG2 THR 43 -4.563 -11.286 -10.039 323 2HG2 THR 43 2HG2 THR 43 -4.361 -12.060 -8.456 324 3HG2 THR 43 3HG2 THR 43 -5.104 -12.958 -9.784 325 H ILE 44 H ILE 44 -6.963 -7.772 -7.140 326 HA ILE 44 HA ILE 44 -9.632 -8.583 -6.430 327 HB ILE 44 HB ILE 44 -9.593 -6.030 -5.689 328 1HG1 ILE 44 1HG1 ILE 44 -7.273 -5.834 -6.981 329 2HG1 ILE 44 2HG1 ILE 44 -7.622 -4.939 -5.566 330 1HG2 ILE 44 1HG2 ILE 44 -8.683 -6.755 -3.521 331 2HG2 ILE 44 2HG2 ILE 44 -9.837 -7.914 -4.191 332 3HG2 ILE 44 3HG2 ILE 44 -8.116 -8.269 -4.270 333 1HD1 ILE 44 1HD1 ILE 44 -6.156 -7.604 -5.541 334 2HD1 ILE 44 2HD1 ILE 44 -5.361 -6.047 -5.561 335 3HD1 ILE 44 3HD1 ILE 44 -6.328 -6.523 -4.159 336 H ALA 45 H ALA 45 -11.389 -8.423 -7.669 337 HA ALA 45 HA ALA 45 -12.053 -5.907 -8.977 338 1HB ALA 45 1HB ALA 45 -10.904 -7.130 -10.792 339 2HB ALA 45 2HB ALA 45 -11.981 -8.524 -10.553 340 3HB ALA 45 3HB ALA 45 -12.648 -6.976 -11.117 341 H ASP 46 H ASP 46 -13.557 -5.893 -7.195 342 HA ASP 46 HA ASP 46 -16.075 -7.183 -7.785 343 1HB ASP 46 1HB ASP 46 -14.756 -8.904 -6.351 344 2HB ASP 46 2HB ASP 46 -14.916 -7.759 -5.030 345 H ALA 47 H ALA 47 -17.762 -6.272 -6.246 346 HA ALA 47 HA ALA 47 -16.955 -4.214 -4.401 347 1HB ALA 47 1HB ALA 47 -18.779 -3.311 -6.672 348 2HB ALA 47 2HB ALA 47 -18.149 -2.332 -5.343 349 3HB ALA 47 3HB ALA 47 -17.051 -2.926 -6.587 350 H HIS 48 H HIS 48 -18.273 -6.849 -4.255 351 HA HIS 48 HA HIS 48 -20.910 -6.199 -3.173 352 1HB HIS 48 1HB HIS 48 -19.141 -8.618 -3.273 353 2HB HIS 48 2HB HIS 48 -20.249 -8.490 -1.913 354 HD1 HIS 48 HD1 HIS 48 -20.330 -8.982 -5.711 355 HD2 HIS 48 HD2 HIS 48 -22.911 -8.415 -2.417 356 HE1 HIS 48 HE1 HIS 48 -22.690 -9.472 -6.537 357 H GLY 49 H GLY 49 -18.014 -7.353 -1.414 358 1HA GLY 49 1HA GLY 49 -17.041 -5.706 0.336 359 2HA GLY 49 2HA GLY 49 -18.729 -5.582 0.868 360 H THR 50 H THR 50 -15.861 -7.722 0.778 361 HA THR 50 HA THR 50 -17.282 -9.527 2.674 362 HB THR 50 HB THR 50 -15.747 -10.661 0.331 363 HG1 THR 50 HG1 THR 50 -18.496 -10.033 0.563 364 1HG2 THR 50 1HG2 THR 50 -17.887 -11.811 2.191 365 2HG2 THR 50 2HG2 THR 50 -17.055 -12.681 0.890 366 3HG2 THR 50 3HG2 THR 50 -16.141 -12.152 2.303 367 H GLY 51 H GLY 51 -15.832 -7.842 3.788 368 1HA GLY 51 1HA GLY 51 -14.067 -7.582 5.246 369 2HA GLY 51 2HA GLY 51 -13.545 -9.230 4.874 370 HA PRO 52 HA PRO 52 -10.813 -5.865 3.099 371 1HB PRO 52 1HB PRO 52 -8.404 -6.781 3.992 372 2HB PRO 52 2HB PRO 52 -9.495 -5.707 4.943 373 1HG PRO 52 1HG PRO 52 -9.125 -8.709 5.097 374 2HG PRO 52 2HG PRO 52 -9.265 -7.573 6.456 375 1HD PRO 52 1HD PRO 52 -11.424 -8.980 5.665 376 2HD PRO 52 2HD PRO 52 -11.582 -7.274 6.177 377 H LYS 53 H LYS 53 -10.435 -9.391 3.031 378 HA LYS 53 HA LYS 53 -9.408 -10.873 1.708 379 1HB LYS 53 1HB LYS 53 -9.839 -8.828 -0.507 380 2HB LYS 53 2HB LYS 53 -9.488 -10.545 -0.710 381 1HG LYS 53 1HG LYS 53 -11.561 -11.126 0.492 382 2HG LYS 53 2HG LYS 53 -11.951 -9.417 0.712 383 1HD LYS 53 1HD LYS 53 -11.694 -10.774 -1.994 384 2HD LYS 53 2HD LYS 53 -13.209 -10.474 -1.117 385 1HE LYS 53 1HE LYS 53 -12.541 -7.993 -1.080 386 2HE LYS 53 2HE LYS 53 -11.281 -8.422 -2.253 387 1HZ LYS 53 1HZ LYS 53 -13.132 -7.783 -3.500 388 2HZ LYS 53 2HZ LYS 53 -13.136 -9.405 -3.605 389 3HZ LYS 53 3HZ LYS 53 -14.199 -8.683 -2.586 390 H VAL 54 H VAL 54 -8.071 -7.921 0.303 391 HA VAL 54 HA VAL 54 -5.472 -9.044 -0.162 392 HB VAL 54 HB VAL 54 -6.038 -7.452 -1.677 393 1HG1 VAL 54 1HG1 VAL 54 -8.059 -6.556 -0.911 394 2HG1 VAL 54 2HG1 VAL 54 -7.226 -5.669 0.391 395 3HG1 VAL 54 3HG1 VAL 54 -6.995 -5.232 -1.313 396 1HG2 VAL 54 1HG2 VAL 54 -4.659 -5.496 -1.481 397 2HG2 VAL 54 2HG2 VAL 54 -4.517 -5.705 0.256 398 3HG2 VAL 54 3HG2 VAL 54 -3.795 -6.905 -0.845 399 H VAL 55 H VAL 55 -6.607 -6.523 2.095 400 HA VAL 55 HA VAL 55 -4.197 -6.278 3.661 401 HB VAL 55 HB VAL 55 -6.802 -5.797 4.974 402 1HG1 VAL 55 1HG1 VAL 55 -4.764 -5.038 5.980 403 2HG1 VAL 55 2HG1 VAL 55 -4.323 -4.111 4.538 404 3HG1 VAL 55 3HG1 VAL 55 -5.732 -3.640 5.512 405 1HG2 VAL 55 1HG2 VAL 55 -6.058 -4.332 2.408 406 2HG2 VAL 55 2HG2 VAL 55 -7.559 -5.187 2.744 407 3HG2 VAL 55 3HG2 VAL 55 -7.202 -3.707 3.645 408 H GLN 56 H GLN 56 -6.951 -8.569 4.139 409 HA GLN 56 HA GLN 56 -5.922 -9.510 6.522 410 1HB GLN 56 1HB GLN 56 -7.812 -10.562 4.558 411 2HB GLN 56 2HB GLN 56 -6.830 -11.851 5.272 412 1HG GLN 56 1HG GLN 56 -7.286 -10.912 7.535 413 2HG GLN 56 2HG GLN 56 -8.410 -9.769 6.831 414 1HE2 GLN 56 1HE2 GLN 56 -10.550 -10.714 6.002 415 2HE2 GLN 56 2HE2 GLN 56 -10.961 -12.281 6.674 416 H SER 57 H SER 57 -4.931 -10.417 3.198 417 HA SER 57 HA SER 57 -2.977 -12.356 3.981 418 1HB SER 57 1HB SER 57 -4.213 -11.923 1.688 419 2HB SER 57 2HB SER 57 -2.910 -10.763 1.397 420 HG SER 57 HG SER 57 -2.944 -13.512 1.466 421 H LEU 58 H LEU 58 -2.709 -8.904 2.963 422 HA LEU 58 HA LEU 58 0.129 -8.769 3.112 423 1HB LEU 58 1HB LEU 58 -1.946 -6.584 3.534 424 2HB LEU 58 2HB LEU 58 -0.220 -6.297 3.319 425 HG LEU 58 HG LEU 58 -1.982 -7.590 1.190 426 1HD1 LEU 58 1HD1 LEU 58 -1.884 -5.404 0.046 427 2HD1 LEU 58 2HD1 LEU 58 -2.663 -5.243 1.613 428 3HD1 LEU 58 3HD1 LEU 58 -0.973 -4.714 1.408 429 1HD2 LEU 58 1HD2 LEU 58 -0.145 -7.168 -0.308 430 2HD2 LEU 58 2HD2 LEU 58 0.832 -6.486 1.012 431 3HD2 LEU 58 3HD2 LEU 58 0.384 -8.207 1.003 432 H VAL 59 H VAL 59 -2.328 -8.094 5.601 433 HA VAL 59 HA VAL 59 -0.638 -7.390 7.771 434 HB VAL 59 HB VAL 59 -3.430 -8.407 7.294 435 1HG1 VAL 59 1HG1 VAL 59 -4.066 -8.232 9.611 436 2HG1 VAL 59 2HG1 VAL 59 -2.898 -9.533 9.390 437 3HG1 VAL 59 3HG1 VAL 59 -2.363 -7.987 10.098 438 1HG2 VAL 59 1HG2 VAL 59 -2.469 -5.902 8.680 439 2HG2 VAL 59 2HG2 VAL 59 -2.917 -6.031 6.951 440 3HG2 VAL 59 3HG2 VAL 59 -4.131 -6.298 8.206 441 H SER 60 H SER 60 -1.452 -10.608 6.320 442 HA SER 60 HA SER 60 -0.458 -12.026 8.605 443 1HB SER 60 1HB SER 60 -1.900 -12.724 6.279 444 2HB SER 60 2HB SER 60 -0.350 -13.568 6.144 445 HG SER 60 HG SER 60 -2.080 -13.551 8.427 446 H LYS 61 H LYS 61 0.913 -10.623 5.647 447 HA LYS 61 HA LYS 61 3.612 -11.769 6.148 448 1HB LYS 61 1HB LYS 61 2.566 -9.839 4.000 449 2HB LYS 61 2HB LYS 61 4.245 -10.310 4.188 450 1HG LYS 61 1HG LYS 61 3.854 -11.871 2.704 451 2HG LYS 61 2HG LYS 61 3.181 -12.767 4.082 452 1HD LYS 61 1HD LYS 61 0.973 -12.302 3.477 453 2HD LYS 61 2HD LYS 61 1.433 -11.027 2.312 454 1HE LYS 61 1HE LYS 61 2.391 -12.643 0.798 455 2HE LYS 61 2HE LYS 61 2.344 -13.909 2.028 456 1HZ LYS 61 1HZ LYS 61 -0.094 -12.713 0.843 457 2HZ LYS 61 2HZ LYS 61 0.555 -14.195 0.475 458 3HZ LYS 61 3HZ LYS 61 -0.025 -13.877 1.975 459 H GLY 62 H GLY 62 2.421 -10.294 8.217 460 1HA GLY 62 1HA GLY 62 2.748 -8.670 9.702 461 2HA GLY 62 2HA GLY 62 4.450 -8.996 9.320 462 H VAL 63 H VAL 63 2.309 -7.391 6.982 463 HA VAL 63 HA VAL 63 4.040 -5.168 6.664 464 HB VAL 63 HB VAL 63 1.208 -5.789 5.799 465 1HG1 VAL 63 1HG1 VAL 63 1.383 -3.903 4.212 466 2HG1 VAL 63 2HG1 VAL 63 1.391 -3.323 5.878 467 3HG1 VAL 63 3HG1 VAL 63 2.912 -3.408 4.961 468 1HG2 VAL 63 1HG2 VAL 63 3.095 -7.101 4.780 469 2HG2 VAL 63 2HG2 VAL 63 2.274 -6.078 3.601 470 3HG2 VAL 63 3HG2 VAL 63 3.840 -5.571 4.274 471 H GLU 64 H GLU 64 4.334 -3.465 7.956 472 HA GLU 64 HA GLU 64 2.206 -2.590 9.902 473 1HB GLU 64 1HB GLU 64 5.238 -2.854 10.127 474 2HB GLU 64 2HB GLU 64 4.348 -1.840 11.194 475 1HG GLU 64 1HG GLU 64 2.825 -4.152 11.406 476 2HG GLU 64 2HG GLU 64 4.418 -4.828 11.092 477 H TYR 65 H TYR 65 2.423 -1.568 7.145 478 HA TYR 65 HA TYR 65 2.817 1.155 7.468 479 1HB TYR 65 1HB TYR 65 5.163 -0.481 6.699 480 2HB TYR 65 2HB TYR 65 4.879 0.881 5.695 481 HD1 TYR 65 HD1 TYR 65 6.795 0.025 8.160 482 HD2 TYR 65 HD2 TYR 65 4.164 3.160 7.013 483 HE1 TYR 65 HE1 TYR 65 7.844 1.539 9.940 484 HE2 TYR 65 HE2 TYR 65 5.198 4.686 8.645 485 HH TYR 65 HH TYR 65 8.007 4.210 10.440 486 H LEU 66 H LEU 66 2.895 2.126 5.267 487 HA LEU 66 HA LEU 66 2.406 0.540 2.918 488 1HB LEU 66 1HB LEU 66 0.299 0.156 4.022 489 2HB LEU 66 2HB LEU 66 0.174 1.852 4.464 490 HG LEU 66 HG LEU 66 -0.195 2.602 2.377 491 1HD1 LEU 66 1HD1 LEU 66 0.603 1.443 0.535 492 2HD1 LEU 66 2HD1 LEU 66 0.574 -0.069 1.466 493 3HD1 LEU 66 3HD1 LEU 66 -0.869 0.523 0.613 494 1HD2 LEU 66 1HD2 LEU 66 -2.468 1.708 1.949 495 2HD2 LEU 66 2HD2 LEU 66 -2.040 0.190 2.780 496 3HD2 LEU 66 3HD2 LEU 66 -2.151 1.693 3.683 497 H ILE 67 H ILE 67 2.386 1.896 1.061 498 HA ILE 67 HA ILE 67 2.512 4.845 1.450 499 HB ILE 67 HB ILE 67 4.091 2.996 -0.436 500 1HG1 ILE 67 1HG1 ILE 67 5.224 5.056 1.577 501 2HG1 ILE 67 2HG1 ILE 67 4.886 3.439 2.124 502 1HG2 ILE 67 1HG2 ILE 67 3.731 4.954 -1.725 503 2HG2 ILE 67 2HG2 ILE 67 3.849 6.042 -0.312 504 3HG2 ILE 67 3HG2 ILE 67 5.299 5.286 -0.972 505 1HD1 ILE 67 1HD1 ILE 67 7.222 3.656 1.611 506 2HD1 ILE 67 2HD1 ILE 67 6.446 2.438 0.587 507 3HD1 ILE 67 3HD1 ILE 67 6.859 4.028 -0.076 508 H ALA 68 H ALA 68 0.486 5.449 0.683 509 HA ALA 68 HA ALA 68 -0.387 4.516 -1.919 510 1HB ALA 68 1HB ALA 68 -1.092 2.622 -0.574 511 2HB ALA 68 2HB ALA 68 -1.822 3.682 0.633 512 3HB ALA 68 3HB ALA 68 -2.512 3.587 -1.011 513 H SER 69 H SER 69 -1.085 6.428 -2.670 514 HA SER 69 HA SER 69 -1.776 8.817 -1.364 515 1HB SER 69 1HB SER 69 -2.687 9.494 -3.552 516 2HB SER 69 2HB SER 69 -1.178 8.598 -3.761 517 HG SER 69 HG SER 69 -2.623 8.007 -5.225 518 H ASN 70 H ASN 70 -3.887 5.977 -1.910 519 HA ASN 70 HA ASN 70 -5.956 7.175 -0.353 520 1HB ASN 70 1HB ASN 70 -6.085 8.127 -2.937 521 2HB ASN 70 2HB ASN 70 -6.970 6.644 -3.149 522 1HD2 ASN 70 1HD2 ASN 70 -6.903 9.762 -1.470 523 2HD2 ASN 70 2HD2 ASN 70 -8.536 9.709 -0.867 524 H VAL 71 H VAL 71 -8.174 5.522 -1.154 525 HA VAL 71 HA VAL 71 -7.106 2.808 -1.300 526 HB VAL 71 HB VAL 71 -7.068 3.707 1.044 527 1HG1 VAL 71 1HG1 VAL 71 -10.097 3.501 0.954 528 2HG1 VAL 71 2HG1 VAL 71 -9.074 3.912 2.343 529 3HG1 VAL 71 3HG1 VAL 71 -9.178 5.023 0.966 530 1HG2 VAL 71 1HG2 VAL 71 -8.970 1.406 0.884 531 2HG2 VAL 71 2HG2 VAL 71 -7.270 1.270 0.389 532 3HG2 VAL 71 3HG2 VAL 71 -7.651 1.761 2.052 533 H GLY 72 H GLY 72 -8.587 1.488 -2.359 534 1HA GLY 72 1HA GLY 72 -10.256 2.863 -4.193 535 2HA GLY 72 2HA GLY 72 -10.180 1.105 -3.989 536 H ARG 73 H ARG 73 -10.993 1.034 -1.215 537 HA ARG 73 HA ARG 73 -13.523 2.214 -0.741 538 1HB ARG 73 1HB ARG 73 -14.152 0.501 -2.571 539 2HB ARG 73 2HB ARG 73 -13.506 -0.758 -1.508 540 1HG ARG 73 1HG ARG 73 -15.167 0.162 0.246 541 2HG ARG 73 2HG ARG 73 -15.933 1.019 -1.086 542 1HD ARG 73 1HD ARG 73 -16.543 -1.120 -2.092 543 2HD ARG 73 2HD ARG 73 -15.545 -1.998 -0.915 544 HE ARG 73 HE ARG 73 -17.153 -0.515 0.695 545 1HH1 ARG 73 2HH2 ARG 73 -18.177 -2.487 -2.036 546 2HH1 ARG 73 1HH2 ARG 73 -19.418 -3.323 -1.163 547 1HH2 ARG 73 2HH1 ARG 73 -19.077 -1.177 1.657 548 2HH2 ARG 73 1HH1 ARG 73 -20.164 -2.239 0.854 549 H ASN 74 H ASN 74 -14.052 1.610 1.495 550 HA ASN 74 HA ASN 74 -13.572 0.989 3.644 551 1HB ASN 74 1HB ASN 74 -14.835 -0.903 2.545 552 2HB ASN 74 2HB ASN 74 -13.306 -1.755 2.364 553 1HD2 ASN 74 1HD2 ASN 74 -15.668 -0.449 4.800 554 2HD2 ASN 74 2HD2 ASN 74 -15.127 -1.486 6.074 555 H ALA 75 H ALA 75 -11.759 -1.450 4.236 556 HA ALA 75 HA ALA 75 -9.723 -2.184 4.497 557 1HB ALA 75 1HB ALA 75 -8.083 -1.797 2.786 558 2HB ALA 75 2HB ALA 75 -9.714 -1.972 2.066 559 3HB ALA 75 3HB ALA 75 -8.958 -0.380 2.209 560 H PHE 76 H PHE 76 -9.798 1.345 4.382 561 HA PHE 76 HA PHE 76 -7.385 1.940 5.739 562 1HB PHE 76 1HB PHE 76 -8.572 3.569 4.634 563 2HB PHE 76 2HB PHE 76 -10.093 3.243 5.463 564 HD1 PHE 76 HD1 PHE 76 -6.739 4.811 5.785 565 HD2 PHE 76 HD2 PHE 76 -10.646 4.318 7.530 566 HE1 PHE 76 HE1 PHE 76 -6.396 6.871 7.115 567 HE2 PHE 76 HE2 PHE 76 -10.309 6.378 8.866 568 HZ PHE 76 HZ PHE 76 -8.216 7.666 8.668 569 H GLU 77 H GLU 77 -10.588 0.951 6.973 570 HA GLU 77 HA GLU 77 -9.954 1.244 9.756 571 1HB GLU 77 1HB GLU 77 -11.998 -0.519 8.338 572 2HB GLU 77 2HB GLU 77 -11.850 -0.301 10.088 573 1HG GLU 77 1HG GLU 77 -12.071 2.269 9.566 574 2HG GLU 77 2HG GLU 77 -12.647 1.742 7.978 575 H THR 78 H THR 78 -9.523 -1.433 7.368 576 HA THR 78 HA THR 78 -8.767 -3.354 9.351 577 HB THR 78 HB THR 78 -7.801 -3.508 6.498 578 HG1 THR 78 HG1 THR 78 -10.503 -4.103 7.011 579 1HG2 THR 78 1HG2 THR 78 -7.563 -5.314 8.339 580 2HG2 THR 78 2HG2 THR 78 -9.298 -5.603 8.087 581 3HG2 THR 78 3HG2 THR 78 -8.132 -5.782 6.757 582 H LEU 79 H LEU 79 -7.149 -0.723 7.724 583 HA LEU 79 HA LEU 79 -4.458 -1.795 8.014 584 1HB LEU 79 1HB LEU 79 -5.524 0.994 7.390 585 2HB LEU 79 2HB LEU 79 -3.808 0.643 7.506 586 HG LEU 79 HG LEU 79 -5.590 -0.925 5.594 587 1HD1 LEU 79 1HD1 LEU 79 -4.377 0.534 3.781 588 2HD1 LEU 79 2HD1 LEU 79 -5.877 1.054 4.520 589 3HD1 LEU 79 3HD1 LEU 79 -4.332 1.720 5.071 590 1HD2 LEU 79 1HD2 LEU 79 -2.577 -0.532 5.738 591 2HD2 LEU 79 2HD2 LEU 79 -3.469 -2.012 6.165 592 3HD2 LEU 79 3HD2 LEU 79 -3.429 -1.473 4.506 593 H LYS 80 H LYS 80 -6.237 0.837 9.702 594 HA LYS 80 HA LYS 80 -4.357 1.037 11.839 595 1HB LYS 80 1HB LYS 80 -6.315 2.179 12.934 596 2HB LYS 80 2HB LYS 80 -5.654 2.853 11.442 597 1HG LYS 80 1HG LYS 80 -7.702 1.394 10.442 598 2HG LYS 80 2HG LYS 80 -8.324 1.637 12.060 599 1HD LYS 80 1HD LYS 80 -9.148 3.304 10.446 600 2HD LYS 80 2HD LYS 80 -8.224 4.101 11.720 601 1HE LYS 80 1HE LYS 80 -6.884 3.273 9.115 602 2HE LYS 80 2HE LYS 80 -7.957 4.662 9.154 603 1HZ LYS 80 1HZ LYS 80 -5.377 4.345 10.439 604 2HZ LYS 80 2HZ LYS 80 -5.923 5.554 9.507 605 3HZ LYS 80 3HZ LYS 80 -6.453 5.442 11.070 606 H ALA 81 H ALA 81 -7.208 -1.043 11.433 607 HA ALA 81 HA ALA 81 -7.345 -2.087 14.018 608 1HB ALA 81 1HB ALA 81 -7.538 -3.726 11.456 609 2HB ALA 81 2HB ALA 81 -8.139 -4.190 13.058 610 3HB ALA 81 3HB ALA 81 -8.865 -2.811 12.217 611 H ALA 82 H ALA 82 -4.843 -2.867 11.504 612 HA ALA 82 HA ALA 82 -3.385 -4.450 13.594 613 1HB ALA 82 1HB ALA 82 -3.568 -5.734 11.602 614 2HB ALA 82 2HB ALA 82 -3.351 -4.324 10.552 615 3HB ALA 82 3HB ALA 82 -1.982 -5.008 11.445 616 H GLY 83 H GLY 83 -3.621 -1.521 13.747 617 1HA GLY 83 1HA GLY 83 -2.467 0.354 13.980 618 2HA GLY 83 2HA GLY 83 -1.113 -0.652 14.499 619 H VAL 84 H VAL 84 -2.250 -0.784 11.140 620 HA VAL 84 HA VAL 84 0.481 -0.453 10.383 621 HB VAL 84 HB VAL 84 -1.988 -0.722 8.603 622 1HG1 VAL 84 1HG1 VAL 84 0.538 -0.475 7.751 623 2HG1 VAL 84 2HG1 VAL 84 0.542 -2.213 7.995 624 3HG1 VAL 84 3HG1 VAL 84 -0.657 -1.460 6.912 625 1HG2 VAL 84 1HG2 VAL 84 -0.457 -3.028 9.883 626 2HG2 VAL 84 2HG2 VAL 84 -2.047 -2.474 10.360 627 3HG2 VAL 84 3HG2 VAL 84 -1.860 -3.123 8.759 628 H LYS 85 H LYS 85 1.543 1.373 9.825 629 HA LYS 85 HA LYS 85 0.076 3.833 9.848 630 1HB LYS 85 1HB LYS 85 2.182 3.555 11.036 631 2HB LYS 85 2HB LYS 85 3.043 3.208 9.546 632 1HG LYS 85 1HG LYS 85 2.782 5.460 8.760 633 2HG LYS 85 2HG LYS 85 1.557 5.823 9.986 634 1HD LYS 85 1HD LYS 85 3.220 5.625 11.774 635 2HD LYS 85 2HD LYS 85 4.498 5.259 10.597 636 1HE LYS 85 1HE LYS 85 4.513 7.446 9.710 637 2HE LYS 85 2HE LYS 85 2.831 7.693 10.161 638 1HZ LYS 85 1HZ LYS 85 3.728 7.678 12.554 639 2HZ LYS 85 2HZ LYS 85 5.170 8.141 11.807 640 3HZ LYS 85 3HZ LYS 85 3.784 8.996 11.623 641 H VAL 86 H VAL 86 -0.755 4.837 7.991 642 HA VAL 86 HA VAL 86 0.089 3.786 5.297 643 HB VAL 86 HB VAL 86 -2.338 5.430 6.146 644 1HG1 VAL 86 1HG1 VAL 86 -3.228 4.555 3.932 645 2HG1 VAL 86 2HG1 VAL 86 -1.842 5.649 3.756 646 3HG1 VAL 86 3HG1 VAL 86 -1.599 3.927 3.587 647 1HG2 VAL 86 1HG2 VAL 86 -2.270 3.107 7.231 648 2HG2 VAL 86 2HG2 VAL 86 -3.638 3.425 6.175 649 3HG2 VAL 86 3HG2 VAL 86 -2.246 2.426 5.643 650 H TYR 87 H TYR 87 1.369 5.099 4.060 651 HA TYR 87 HA TYR 87 1.347 8.001 4.602 652 1HB TYR 87 1HB TYR 87 3.268 6.059 3.353 653 2HB TYR 87 2HB TYR 87 3.278 7.655 2.708 654 HD1 TYR 87 HD1 TYR 87 3.919 5.600 5.803 655 HD2 TYR 87 HD2 TYR 87 3.966 9.527 4.064 656 HE1 TYR 87 HE1 TYR 87 5.508 6.411 7.562 657 HE2 TYR 87 HE2 TYR 87 5.494 10.333 5.799 658 HH TYR 87 HH TYR 87 6.974 9.600 7.434 659 H ARG 88 H ARG 88 1.203 9.361 2.813 660 HA ARG 88 HA ARG 88 -0.532 8.545 0.549 661 1HB ARG 88 1HB ARG 88 -0.722 10.806 1.784 662 2HB ARG 88 2HB ARG 88 0.879 11.185 1.175 663 1HG ARG 88 1HG ARG 88 -0.062 12.129 -0.606 664 2HG ARG 88 2HG ARG 88 -0.585 10.562 -1.146 665 1HD ARG 88 1HD ARG 88 -2.681 10.738 -0.026 666 2HD ARG 88 2HD ARG 88 -2.242 12.299 0.694 667 HE ARG 88 HE ARG 88 -3.325 11.710 -1.895 668 1HH1 ARG 88 2HH2 ARG 88 -1.052 14.082 -0.333 669 2HH1 ARG 88 1HH2 ARG 88 -1.536 15.323 -1.418 670 1HH2 ARG 88 2HH1 ARG 88 -3.739 13.394 -3.359 671 2HH2 ARG 88 1HH1 ARG 88 -2.950 14.910 -3.231 672 H PHE 89 H PHE 89 0.411 9.071 -1.662 673 HA PHE 89 HA PHE 89 3.157 9.795 -1.897 674 1HB PHE 89 1HB PHE 89 4.004 7.833 -2.557 675 2HB PHE 89 2HB PHE 89 2.496 7.040 -2.263 676 HD1 PHE 89 HD1 PHE 89 4.830 7.410 -4.983 677 HD2 PHE 89 HD2 PHE 89 0.580 7.487 -4.045 678 HE1 PHE 89 HE1 PHE 89 4.293 6.947 -7.214 679 HE2 PHE 89 HE2 PHE 89 0.066 7.168 -6.451 680 HZ PHE 89 HZ PHE 89 1.935 6.893 -8.073 681 H GLU 90 H GLU 90 3.334 10.571 -4.483 682 HA GLU 90 HA GLU 90 0.700 10.766 -5.658 683 1HB GLU 90 1HB GLU 90 0.714 12.711 -3.970 684 2HB GLU 90 2HB GLU 90 1.927 13.453 -5.019 685 1HG GLU 90 1HG GLU 90 0.267 13.152 -6.962 686 2HG GLU 90 2HG GLU 90 -0.873 12.508 -5.789 687 H GLY 91 H GLY 91 2.390 9.438 -6.857 688 1HA GLY 91 1HA GLY 91 2.238 9.409 -9.251 689 2HA GLY 91 2HA GLY 91 2.737 11.092 -9.318 690 H GLY 92 H GLY 92 3.808 7.755 -9.252 691 1HA GLY 92 1HA GLY 92 6.589 8.247 -9.792 692 2HA GLY 92 2HA GLY 92 6.246 7.890 -8.098 693 H THR 93 H THR 93 7.775 6.104 -9.652 694 HA THR 93 HA THR 93 6.041 3.776 -10.055 695 HB THR 93 HB THR 93 8.292 2.704 -10.485 696 HG1 THR 93 HG1 THR 93 10.017 4.230 -10.782 697 1HG2 THR 93 1HG2 THR 93 7.644 5.139 -12.189 698 2HG2 THR 93 2HG2 THR 93 8.600 3.731 -12.691 699 3HG2 THR 93 3HG2 THR 93 6.871 3.561 -12.330 700 H VAL 94 H VAL 94 6.881 1.714 -8.935 701 HA VAL 94 HA VAL 94 6.575 1.704 -6.242 702 HB VAL 94 HB VAL 94 8.204 -0.159 -8.008 703 1HG1 VAL 94 1HG1 VAL 94 8.962 -0.394 -5.660 704 2HG1 VAL 94 2HG1 VAL 94 7.278 -0.674 -5.168 705 3HG1 VAL 94 3HG1 VAL 94 8.103 -1.791 -6.293 706 1HG2 VAL 94 1HG2 VAL 94 5.425 -0.374 -6.797 707 2HG2 VAL 94 2HG2 VAL 94 5.756 0.030 -8.487 708 3HG2 VAL 94 3HG2 VAL 94 6.224 -1.548 -7.876 709 H GLN 95 H GLN 95 9.786 2.184 -7.860 710 HA GLN 95 HA GLN 95 11.121 2.386 -5.415 711 1HB GLN 95 1HB GLN 95 12.014 2.178 -7.904 712 2HB GLN 95 2HB GLN 95 11.993 3.924 -7.862 713 1HG GLN 95 1HG GLN 95 13.284 2.972 -5.428 714 2HG GLN 95 2HG GLN 95 13.953 2.082 -6.790 715 1HE2 GLN 95 1HE2 GLN 95 14.556 4.676 -4.944 716 2HE2 GLN 95 2HE2 GLN 95 15.240 5.819 -6.055 717 H GLU 96 H GLU 96 9.188 4.883 -6.936 718 HA GLU 96 HA GLU 96 10.602 7.128 -5.764 719 1HB GLU 96 1HB GLU 96 7.983 6.652 -7.202 720 2HB GLU 96 2HB GLU 96 8.413 8.247 -6.584 721 1HG GLU 96 1HG GLU 96 9.585 6.718 -8.892 722 2HG GLU 96 2HG GLU 96 8.862 8.330 -8.815 723 H ALA 97 H ALA 97 7.574 5.212 -5.247 724 HA ALA 97 HA ALA 97 6.623 6.497 -2.989 725 1HB ALA 97 1HB ALA 97 6.713 3.656 -3.996 726 2HB ALA 97 2HB ALA 97 6.175 3.904 -2.355 727 3HB ALA 97 3HB ALA 97 5.320 4.708 -3.699 728 H ILE 98 H ILE 98 9.510 4.381 -3.228 729 HA ILE 98 HA ILE 98 9.832 4.247 -0.324 730 HB ILE 98 HB ILE 98 11.929 3.478 -2.385 731 1HG1 ILE 98 1HG1 ILE 98 10.100 2.652 -3.334 732 2HG1 ILE 98 2HG1 ILE 98 10.977 1.279 -2.665 733 1HG2 ILE 98 1HG2 ILE 98 11.113 2.298 0.333 734 2HG2 ILE 98 2HG2 ILE 98 12.392 1.652 -0.708 735 3HG2 ILE 98 3HG2 ILE 98 12.565 3.265 -0.006 736 1HD1 ILE 98 1HD1 ILE 98 8.355 2.460 -1.568 737 2HD1 ILE 98 2HD1 ILE 98 8.602 0.915 -2.400 738 3HD1 ILE 98 3HD1 ILE 98 9.310 1.171 -0.790 739 H ASP 99 H ASP 99 11.593 5.685 -3.108 740 HA ASP 99 HA ASP 99 13.595 6.970 -1.560 741 1HB ASP 99 1HB ASP 99 12.777 6.888 -4.381 742 2HB ASP 99 2HB ASP 99 13.183 8.522 -3.911 743 H ALA 100 H ALA 100 10.293 7.700 -2.126 744 HA ALA 100 HA ALA 100 10.539 10.505 -1.263 745 1HB ALA 100 1HB ALA 100 8.098 10.504 -1.474 746 2HB ALA 100 2HB ALA 100 8.817 9.812 -2.925 747 3HB ALA 100 3HB ALA 100 8.092 8.727 -1.758 748 H PHE 101 H PHE 101 8.949 7.513 -0.009 749 HA PHE 101 HA PHE 101 8.330 8.477 2.532 750 1HB PHE 101 1HB PHE 101 7.281 6.570 1.868 751 2HB PHE 101 2HB PHE 101 8.746 5.782 1.293 752 HD1 PHE 101 HD1 PHE 101 6.666 6.360 4.295 753 HD2 PHE 101 HD2 PHE 101 10.192 4.479 2.662 754 HE1 PHE 101 HE1 PHE 101 6.793 4.842 6.263 755 HE2 PHE 101 HE2 PHE 101 10.335 3.006 4.620 756 HZ PHE 101 HZ PHE 101 8.606 3.165 6.442 757 H SER 102 H SER 102 11.266 6.864 1.439 758 HA SER 102 HA SER 102 12.361 6.326 4.036 759 1HB SER 102 1HB SER 102 14.456 5.868 2.829 760 2HB SER 102 2HB SER 102 13.026 5.017 2.158 761 HG SER 102 HG SER 102 12.994 6.381 0.478 762 H GLU 103 H GLU 103 13.102 8.898 1.610 763 HA GLU 103 HA GLU 103 14.615 10.430 3.619 764 1HB GLU 103 1HB GLU 103 13.709 11.113 0.781 765 2HB GLU 103 2HB GLU 103 14.978 11.938 1.674 766 1HG GLU 103 1HG GLU 103 15.312 8.980 1.061 767 2HG GLU 103 2HG GLU 103 15.472 10.117 -0.226 768 H GLY 104 H GLY 104 11.857 9.866 4.198 769 1HA GLY 104 1HA GLY 104 10.119 10.834 5.213 770 2HA GLY 104 2HA GLY 104 11.210 12.195 5.468 771 H ARG 105 H ARG 105 10.396 11.630 2.073 772 HA ARG 105 HA ARG 105 9.098 14.285 2.101 773 1HB ARG 105 1HB ARG 105 9.853 12.297 -0.099 774 2HB ARG 105 2HB ARG 105 9.112 13.835 -0.431 775 1HG ARG 105 1HG ARG 105 11.038 15.019 0.545 776 2HG ARG 105 2HG ARG 105 11.880 13.462 0.707 777 1HD ARG 105 1HD ARG 105 10.630 14.392 -1.920 778 2HD ARG 105 2HD ARG 105 12.259 14.856 -1.478 779 HE ARG 105 HE ARG 105 12.597 12.292 -1.195 780 1HH1 ARG 105 2HH2 ARG 105 10.763 13.836 -3.877 781 2HH1 ARG 105 1HH2 ARG 105 11.285 12.646 -5.030 782 1HH2 ARG 105 2HH1 ARG 105 13.152 10.741 -2.689 783 2HH2 ARG 105 1HH1 ARG 105 12.794 10.927 -4.380 784 H LEU 106 H LEU 106 7.419 11.959 3.281 785 HA LEU 106 HA LEU 106 5.145 12.253 1.380 786 1HB LEU 106 1HB LEU 106 6.111 9.711 2.724 787 2HB LEU 106 2HB LEU 106 4.540 9.876 1.992 788 HG LEU 106 HG LEU 106 7.198 9.870 0.565 789 1HD1 LEU 106 1HD1 LEU 106 5.643 7.786 1.362 790 2HD1 LEU 106 2HD1 LEU 106 4.870 8.128 -0.173 791 3HD1 LEU 106 3HD1 LEU 106 6.589 7.782 -0.144 792 1HD2 LEU 106 1HD2 LEU 106 4.429 10.626 -0.464 793 2HD2 LEU 106 2HD2 LEU 106 5.953 11.446 -0.789 794 3HD2 LEU 106 3HD2 LEU 106 5.631 9.896 -1.557 795 H GLU 107 H GLU 107 3.044 11.543 2.500 796 HA GLU 107 HA GLU 107 2.890 13.173 4.980 797 1HB GLU 107 1HB GLU 107 0.728 12.547 2.940 798 2HB GLU 107 2HB GLU 107 0.703 13.801 4.183 799 1HG GLU 107 1HG GLU 107 2.324 15.127 2.954 800 2HG GLU 107 2HG GLU 107 2.665 13.799 1.840 801 H GLU 108 H GLU 108 1.594 12.242 6.784 802 HA GLU 108 HA GLU 108 1.349 9.332 6.672 803 1HB GLU 108 1HB GLU 108 2.503 10.527 8.543 804 2HB GLU 108 2HB GLU 108 0.987 11.408 8.876 805 1HG GLU 108 1HG GLU 108 -0.142 9.322 9.393 806 2HG GLU 108 2HG GLU 108 1.287 8.377 8.980 807 H LEU 109 H LEU 109 -0.445 8.853 5.525 808 HA LEU 109 HA LEU 109 -2.748 10.565 5.492 809 1HB LEU 109 1HB LEU 109 -1.720 9.368 3.504 810 2HB LEU 109 2HB LEU 109 -2.232 7.846 4.231 811 HG LEU 109 HG LEU 109 -4.543 9.477 4.085 812 1HD1 LEU 109 1HD1 LEU 109 -4.838 9.969 1.760 813 2HD1 LEU 109 2HD1 LEU 109 -3.445 10.858 2.393 814 3HD1 LEU 109 3HD1 LEU 109 -3.188 9.380 1.419 815 1HD2 LEU 109 1HD2 LEU 109 -3.776 7.189 2.277 816 2HD2 LEU 109 2HD2 LEU 109 -4.503 7.023 3.889 817 3HD2 LEU 109 3HD2 LEU 109 -5.426 7.830 2.601 818 H THR 110 H THR 110 -2.411 9.439 8.159 819 HA THR 110 HA THR 110 -4.055 7.016 8.269 820 HB THR 110 HB THR 110 -3.265 7.092 10.638 821 HG1 THR 110 HG1 THR 110 -2.886 9.069 11.280 822 1HG2 THR 110 1HG2 THR 110 -1.884 6.038 8.882 823 2HG2 THR 110 2HG2 THR 110 -1.102 7.592 8.508 824 3HG2 THR 110 3HG2 THR 110 -0.842 6.832 10.074 825 H THR 111 H THR 111 -5.489 9.298 7.360 826 HA THR 111 HA THR 111 -7.623 9.804 9.255 827 HB THR 111 HB THR 111 -6.000 10.914 10.555 828 HG1 THR 111 HG1 THR 111 -7.418 12.389 10.702 829 1HG2 THR 111 1HG2 THR 111 -4.060 11.134 9.239 830 2HG2 THR 111 2HG2 THR 111 -4.877 12.105 8.007 831 3HG2 THR 111 3HG2 THR 111 -4.538 12.773 9.625 832 H PHE 112 H PHE 112 -7.812 8.902 6.630 833 HA PHE 112 HA PHE 112 -8.735 11.222 5.061 834 1HB PHE 112 1HB PHE 112 -6.650 9.232 4.235 835 2HB PHE 112 2HB PHE 112 -7.724 9.947 3.063 836 HD1 PHE 112 HD1 PHE 112 -6.969 11.752 1.860 837 HD2 PHE 112 HD2 PHE 112 -5.455 11.184 5.852 838 HE1 PHE 112 HE1 PHE 112 -5.466 13.693 1.578 839 HE2 PHE 112 HE2 PHE 112 -4.045 13.189 5.614 840 HZ PHE 112 HZ PHE 112 -4.035 14.460 3.464 841 H THR 113 H THR 113 -10.478 10.670 3.819 842 HA THR 113 HA THR 113 -11.423 7.902 3.536 843 HB THR 113 HB THR 113 -13.636 8.556 4.605 844 HG1 THR 113 HG1 THR 113 -13.694 10.486 5.265 845 1HG2 THR 113 1HG2 THR 113 -12.031 6.942 5.673 846 2HG2 THR 113 2HG2 THR 113 -11.375 8.297 6.620 847 3HG2 THR 113 3HG2 THR 113 -13.068 7.823 6.807 848 H ARG 114 H ARG 114 -11.427 8.308 1.196 849 HA ARG 114 HA ARG 114 -13.770 9.840 0.382 850 1HB ARG 114 1HB ARG 114 -11.942 11.548 0.514 851 2HB ARG 114 2HB ARG 114 -10.994 10.637 -0.651 852 1HG ARG 114 1HG ARG 114 -13.852 11.514 -1.244 853 2HG ARG 114 2HG ARG 114 -12.510 12.656 -1.375 854 1HD ARG 114 1HD ARG 114 -12.916 10.146 -2.972 855 2HD ARG 114 2HD ARG 114 -13.081 11.794 -3.555 856 HE ARG 114 HE ARG 114 -10.721 10.217 -3.443 857 1HH1 ARG 114 2HH2 ARG 114 -11.711 13.641 -2.956 858 2HH1 ARG 114 1HH2 ARG 114 -10.210 14.261 -3.506 859 1HH2 ARG 114 2HH1 ARG 114 -8.688 11.093 -4.002 860 2HH2 ARG 114 1HH1 ARG 114 -8.422 12.807 -3.989 861 H GLU 115 H GLU 115 -14.745 8.244 -0.837 862 HA GLU 115 HA GLU 115 -13.119 6.443 -2.394 863 1HB GLU 115 1HB GLU 115 -15.590 6.227 -1.267 864 2HB GLU 115 2HB GLU 115 -16.061 6.519 -2.940 865 1HG GLU 115 1HG GLU 115 -14.619 4.664 -3.673 866 2HG GLU 115 2HG GLU 115 -14.033 4.431 -2.010 867 H GLY 116 H GLY 116 -11.903 7.652 -3.801 868 1HA GLY 116 1HA GLY 116 -12.620 8.164 -6.408 869 2HA GLY 116 2HA GLY 116 -13.004 9.664 -5.555 Start of MODEL 17 1 1H MET 1 H1 MET 1 13.378 -2.959 11.657 2 HA MET 1 HA MET 1 11.789 -4.731 11.208 3 1HB MET 1 1HB MET 1 10.526 -4.691 13.182 4 2HB MET 1 2HB MET 1 12.095 -3.969 13.519 5 1HG MET 1 1HG MET 1 9.566 -2.355 13.091 6 2HG MET 1 2HG MET 1 10.173 -2.897 14.652 7 1HE MET 1 1HE MET 1 10.994 0.795 15.096 8 2HE MET 1 2HE MET 1 9.535 0.022 14.440 9 3HE MET 1 3HE MET 1 10.369 -0.691 15.842 10 H ALA 2 H ALA 2 10.775 -1.759 9.761 11 HA ALA 2 HA ALA 2 7.977 -2.526 9.915 12 1HB ALA 2 1HB ALA 2 7.551 -0.451 8.707 13 2HB ALA 2 2HB ALA 2 8.487 -0.167 10.190 14 3HB ALA 2 3HB ALA 2 9.270 -0.143 8.585 15 H ARG 3 H ARG 3 6.742 -3.523 8.346 16 HA ARG 3 HA ARG 3 8.059 -3.799 5.677 17 1HB ARG 3 1HB ARG 3 6.285 -5.593 7.254 18 2HB ARG 3 2HB ARG 3 6.040 -5.491 5.491 19 1HG ARG 3 1HG ARG 3 8.268 -6.230 5.026 20 2HG ARG 3 2HG ARG 3 8.839 -5.657 6.586 21 1HD ARG 3 1HD ARG 3 9.090 -7.798 6.860 22 2HD ARG 3 2HD ARG 3 7.519 -7.570 7.657 23 HE ARG 3 HE ARG 3 6.713 -8.354 5.238 24 1HH1 ARG 3 2HH2 ARG 3 9.017 -9.756 7.584 25 2HH1 ARG 3 1HH2 ARG 3 8.716 -11.371 7.047 26 1HH2 ARG 3 2HH1 ARG 3 6.813 -10.470 4.235 27 2HH2 ARG 3 1HH1 ARG 3 7.699 -11.737 5.016 28 H VAL 4 H VAL 4 7.498 -2.387 4.271 29 HA VAL 4 HA VAL 4 4.875 -1.073 4.469 30 HB VAL 4 HB VAL 4 7.368 0.037 4.450 31 1HG1 VAL 4 1HG1 VAL 4 6.812 0.207 1.560 32 2HG1 VAL 4 2HG1 VAL 4 8.191 0.858 2.520 33 3HG1 VAL 4 3HG1 VAL 4 7.946 -0.873 2.399 34 1HG2 VAL 4 1HG2 VAL 4 6.464 2.164 3.730 35 2HG2 VAL 4 2HG2 VAL 4 5.098 1.348 2.910 36 3HG2 VAL 4 3HG2 VAL 4 5.222 1.317 4.673 37 H ALA 5 H ALA 5 3.344 -1.377 2.900 38 HA ALA 5 HA ALA 5 4.202 -3.310 0.740 39 1HB ALA 5 1HB ALA 5 2.388 -4.200 1.993 40 2HB ALA 5 2HB ALA 5 1.452 -2.682 1.878 41 3HB ALA 5 3HB ALA 5 1.763 -3.665 0.429 42 H ILE 6 H ILE 6 4.279 -2.294 -1.345 43 HA ILE 6 HA ILE 6 3.036 0.394 -1.541 44 HB ILE 6 HB ILE 6 5.316 -0.588 -3.184 45 1HG1 ILE 6 1HG1 ILE 6 6.373 1.392 -1.764 46 2HG1 ILE 6 2HG1 ILE 6 5.213 0.870 -0.562 47 1HG2 ILE 6 1HG2 ILE 6 4.103 2.172 -2.891 48 2HG2 ILE 6 2HG2 ILE 6 5.483 1.699 -3.911 49 3HG2 ILE 6 3HG2 ILE 6 3.880 1.085 -4.286 50 1HD1 ILE 6 1HD1 ILE 6 7.562 -0.185 -0.453 51 2HD1 ILE 6 2HD1 ILE 6 6.222 -1.308 -0.406 52 3HD1 ILE 6 3HD1 ILE 6 7.146 -1.077 -1.915 53 HA PRO 7 HA PRO 7 0.142 -1.801 -4.186 54 1HB PRO 7 1HB PRO 7 -1.422 0.427 -4.733 55 2HB PRO 7 2HB PRO 7 -1.461 -0.473 -3.176 56 1HG PRO 7 1HG PRO 7 -0.197 2.130 -3.950 57 2HG PRO 7 2HG PRO 7 -0.906 1.664 -2.361 58 1HD PRO 7 1HD PRO 7 1.713 1.694 -3.032 59 2HD PRO 7 2HD PRO 7 0.989 0.773 -1.651 60 H SER 8 H SER 8 1.444 -2.330 -5.882 61 HA SER 8 HA SER 8 2.267 -0.495 -8.043 62 1HB SER 8 1HB SER 8 3.866 -2.036 -7.166 63 2HB SER 8 2HB SER 8 2.740 -3.375 -7.164 64 HG SER 8 HG SER 8 3.873 -3.786 -8.939 65 H VAL 9 H VAL 9 1.808 -1.353 -10.302 66 HA VAL 9 HA VAL 9 -0.555 -3.200 -10.578 67 HB VAL 9 HB VAL 9 -1.295 -1.983 -12.509 68 1HG1 VAL 9 1HG1 VAL 9 -2.041 -1.245 -10.195 69 2HG1 VAL 9 2HG1 VAL 9 -0.866 0.102 -10.360 70 3HG1 VAL 9 3HG1 VAL 9 -2.216 -0.027 -11.482 71 1HG2 VAL 9 1HG2 VAL 9 0.759 -0.967 -13.429 72 2HG2 VAL 9 2HG2 VAL 9 -0.465 0.264 -13.132 73 3HG2 VAL 9 3HG2 VAL 9 0.884 0.091 -12.006 74 H GLY 10 H GLY 10 2.376 -3.849 -10.386 75 1HA GLY 10 1HA GLY 10 2.384 -5.801 -12.390 76 2HA GLY 10 2HA GLY 10 3.465 -4.526 -12.912 77 H LYS 11 H LYS 11 5.116 -6.394 -12.670 78 HA LYS 11 HA LYS 11 5.549 -7.271 -9.860 79 1HB LYS 11 1HB LYS 11 5.720 -8.783 -12.501 80 2HB LYS 11 2HB LYS 11 6.375 -9.408 -10.972 81 1HG LYS 11 1HG LYS 11 4.061 -9.085 -10.058 82 2HG LYS 11 2HG LYS 11 3.540 -8.874 -11.732 83 1HD LYS 11 1HD LYS 11 5.132 -11.342 -10.919 84 2HD LYS 11 2HD LYS 11 3.452 -11.238 -10.480 85 1HE LYS 11 1HE LYS 11 3.186 -10.518 -13.066 86 2HE LYS 11 2HE LYS 11 4.673 -11.473 -13.207 87 1HZ LYS 11 1HZ LYS 11 3.449 -13.315 -12.152 88 2HZ LYS 11 2HZ LYS 11 2.063 -12.380 -12.118 89 3HZ LYS 11 3HZ LYS 11 2.745 -12.799 -13.553 90 H ASP 12 H ASP 12 6.833 -4.916 -10.655 91 HA ASP 12 HA ASP 12 9.660 -5.731 -10.548 92 1HB ASP 12 1HB ASP 12 8.372 -4.125 -12.751 93 2HB ASP 12 2HB ASP 12 10.019 -3.784 -12.270 94 H LEU 13 H LEU 13 11.000 -3.949 -9.721 95 HA LEU 13 HA LEU 13 9.544 -2.330 -7.757 96 1HB LEU 13 1HB LEU 13 11.875 -3.584 -7.660 97 2HB LEU 13 2HB LEU 13 12.459 -2.099 -8.398 98 HG LEU 13 HG LEU 13 12.943 -2.185 -6.071 99 1HD1 LEU 13 1HD1 LEU 13 12.365 -0.025 -5.402 100 2HD1 LEU 13 2HD1 LEU 13 12.298 0.041 -7.177 101 3HD1 LEU 13 3HD1 LEU 13 10.813 -0.064 -6.244 102 1HD2 LEU 13 1HD2 LEU 13 11.091 -3.618 -5.332 103 2HD2 LEU 13 2HD2 LEU 13 11.262 -2.164 -4.316 104 3HD2 LEU 13 3HD2 LEU 13 9.968 -2.263 -5.524 105 H SER 14 H SER 14 10.617 -1.791 -11.058 106 HA SER 14 HA SER 14 10.014 1.115 -10.620 107 1HB SER 14 1HB SER 14 10.746 1.177 -13.013 108 2HB SER 14 2HB SER 14 12.017 0.966 -11.780 109 HG SER 14 HG SER 14 11.004 -0.922 -13.651 110 H SER 15 H SER 15 7.856 -0.953 -10.417 111 HA SER 15 HA SER 15 6.531 -0.658 -12.958 112 1HB SER 15 1HB SER 15 4.710 -1.894 -11.662 113 2HB SER 15 2HB SER 15 6.312 -2.620 -11.364 114 HG SER 15 HG SER 15 4.822 -2.035 -9.528 115 H MET 16 H MET 16 4.081 0.374 -12.753 116 HA MET 16 HA MET 16 4.417 3.050 -11.541 117 1HB MET 16 1HB MET 16 2.363 1.551 -13.214 118 2HB MET 16 2HB MET 16 1.814 2.926 -12.284 119 1HG MET 16 1HG MET 16 4.300 3.556 -13.716 120 2HG MET 16 2HG MET 16 3.067 2.946 -14.807 121 1HE MET 16 1HE MET 16 3.592 5.431 -11.803 122 2HE MET 16 2HE MET 16 2.297 6.615 -12.056 123 3HE MET 16 3HE MET 16 1.894 4.974 -11.525 124 H VAL 17 H VAL 17 3.684 3.691 -9.559 125 HA VAL 17 HA VAL 17 2.266 1.802 -7.831 126 HB VAL 17 HB VAL 17 3.202 4.663 -7.311 127 1HG1 VAL 17 1HG1 VAL 17 1.332 4.082 -5.755 128 2HG1 VAL 17 2HG1 VAL 17 2.206 2.601 -5.297 129 3HG1 VAL 17 3HG1 VAL 17 2.920 4.199 -4.954 130 1HG2 VAL 17 1HG2 VAL 17 4.956 3.036 -7.663 131 2HG2 VAL 17 2HG2 VAL 17 4.926 3.600 -6.000 132 3HG2 VAL 17 3HG2 VAL 17 4.278 1.987 -6.416 133 H SER 18 H SER 18 0.230 1.852 -7.413 134 HA SER 18 HA SER 18 -1.684 3.005 -9.301 135 1HB SER 18 1HB SER 18 -1.619 0.592 -8.477 136 2HB SER 18 2HB SER 18 -1.905 1.178 -6.863 137 HG SER 18 HG SER 18 -3.867 0.597 -7.680 138 H ASP 19 H ASP 19 -3.466 4.316 -8.633 139 HA ASP 19 HA ASP 19 -2.651 6.222 -6.605 140 1HB ASP 19 1HB ASP 19 -4.016 6.291 -9.002 141 2HB ASP 19 2HB ASP 19 -5.361 6.410 -7.972 142 H ARG 20 H ARG 20 -3.468 3.678 -5.424 143 HA ARG 20 HA ARG 20 -5.814 4.144 -3.772 144 1HB ARG 20 1HB ARG 20 -7.031 2.272 -5.289 145 2HB ARG 20 2HB ARG 20 -7.180 4.075 -5.602 146 1HG ARG 20 1HG ARG 20 -5.589 3.828 -7.420 147 2HG ARG 20 2HG ARG 20 -5.572 2.116 -7.158 148 1HD ARG 20 1HD ARG 20 -7.515 1.903 -8.337 149 2HD ARG 20 2HD ARG 20 -8.322 3.112 -7.334 150 HE ARG 20 HE ARG 20 -7.957 4.727 -8.926 151 1HH1 ARG 20 2HH2 ARG 20 -5.635 2.046 -9.736 152 2HH1 ARG 20 1HH2 ARG 20 -4.749 3.118 -10.776 153 1HH2 ARG 20 2HH1 ARG 20 -6.932 5.848 -10.519 154 2HH2 ARG 20 1HH1 ARG 20 -5.527 5.190 -11.318 155 H PHE 21 H PHE 21 -4.930 2.916 -1.948 156 HA PHE 21 HA PHE 21 -3.403 0.628 -2.311 157 1HB PHE 21 1HB PHE 21 -3.519 1.818 -0.194 158 2HB PHE 21 2HB PHE 21 -5.228 1.648 -0.105 159 HD1 PHE 21 HD1 PHE 21 -5.917 0.151 1.585 160 HD2 PHE 21 HD2 PHE 21 -2.363 -0.715 -0.710 161 HE1 PHE 21 HE1 PHE 21 -5.587 -1.986 2.834 162 HE2 PHE 21 HE2 PHE 21 -2.115 -2.845 0.419 163 HZ PHE 21 HZ PHE 21 -3.701 -3.480 2.285 164 H ALA 22 H ALA 22 -6.902 0.669 -1.470 165 HA ALA 22 HA ALA 22 -6.933 -2.174 -1.670 166 1HB ALA 22 1HB ALA 22 -9.261 -2.032 -0.971 167 2HB ALA 22 2HB ALA 22 -8.277 -0.910 -0.022 168 3HB ALA 22 3HB ALA 22 -9.320 -0.306 -1.332 169 H ARG 23 H ARG 23 -6.957 -0.125 -4.381 170 HA ARG 23 HA ARG 23 -7.985 -2.291 -5.980 171 1HB ARG 23 1HB ARG 23 -8.539 0.704 -6.151 172 2HB ARG 23 2HB ARG 23 -8.284 -0.289 -7.570 173 1HG ARG 23 1HG ARG 23 -10.226 -1.782 -6.618 174 2HG ARG 23 2HG ARG 23 -10.516 -0.414 -5.554 175 1HD ARG 23 1HD ARG 23 -11.845 0.442 -7.134 176 2HD ARG 23 2HD ARG 23 -10.409 0.815 -8.066 177 HE ARG 23 HE ARG 23 -12.417 -1.239 -8.547 178 1HH1 ARG 23 2HH2 ARG 23 -9.246 -0.047 -9.632 179 2HH1 ARG 23 1HH2 ARG 23 -9.045 -1.291 -10.811 180 1HH2 ARG 23 2HH1 ARG 23 -12.353 -2.523 -10.534 181 2HH2 ARG 23 1HH1 ARG 23 -10.824 -2.687 -11.309 182 H ALA 24 H ALA 24 -5.540 -2.641 -5.267 183 HA ALA 24 HA ALA 24 -4.090 -1.464 -7.458 184 1HB ALA 24 1HB ALA 24 -1.933 -1.556 -6.126 185 2HB ALA 24 2HB ALA 24 -3.088 -0.305 -5.654 186 3HB ALA 24 3HB ALA 24 -2.905 -1.741 -4.656 187 H GLU 25 H GLU 25 -2.155 -3.250 -7.876 188 HA GLU 25 HA GLU 25 -3.687 -5.826 -7.672 189 1HB GLU 25 1HB GLU 25 -2.340 -4.392 -9.961 190 2HB GLU 25 2HB GLU 25 -2.486 -6.165 -9.963 191 1HG GLU 25 1HG GLU 25 -4.906 -5.910 -9.387 192 2HG GLU 25 2HG GLU 25 -4.751 -4.164 -9.630 193 H TYR 26 H TYR 26 -0.422 -4.366 -7.473 194 HA TYR 26 HA TYR 26 0.455 -6.983 -6.520 195 1HB TYR 26 1HB TYR 26 1.754 -4.882 -8.344 196 2HB TYR 26 2HB TYR 26 2.659 -6.205 -7.637 197 HD1 TYR 26 HD1 TYR 26 0.051 -5.297 -10.139 198 HD2 TYR 26 HD2 TYR 26 2.442 -8.455 -8.487 199 HE1 TYR 26 HE1 TYR 26 -0.465 -6.703 -12.106 200 HE2 TYR 26 HE2 TYR 26 1.860 -9.883 -10.373 201 HH TYR 26 HH TYR 26 0.452 -10.209 -12.100 202 H PHE 27 H PHE 27 1.954 -6.736 -4.827 203 HA PHE 27 HA PHE 27 1.759 -4.260 -3.253 204 1HB PHE 27 1HB PHE 27 0.754 -7.035 -2.495 205 2HB PHE 27 2HB PHE 27 1.063 -5.679 -1.361 206 HD1 PHE 27 HD1 PHE 27 -1.116 -6.875 -4.132 207 HD2 PHE 27 HD2 PHE 27 -0.240 -3.669 -1.434 208 HE1 PHE 27 HE1 PHE 27 -3.225 -5.754 -4.787 209 HE2 PHE 27 HE2 PHE 27 -2.287 -2.467 -2.159 210 HZ PHE 27 HZ PHE 27 -3.847 -3.576 -3.776 211 H ILE 28 H ILE 28 3.786 -3.985 -3.717 212 HA ILE 28 HA ILE 28 5.977 -5.954 -3.469 213 HB ILE 28 HB ILE 28 6.205 -2.920 -3.717 214 1HG1 ILE 28 1HG1 ILE 28 4.875 -3.031 -5.528 215 2HG1 ILE 28 2HG1 ILE 28 6.455 -3.306 -6.241 216 1HG2 ILE 28 1HG2 ILE 28 8.230 -3.877 -3.341 217 2HG2 ILE 28 2HG2 ILE 28 7.951 -5.287 -4.417 218 3HG2 ILE 28 3HG2 ILE 28 8.258 -3.686 -5.083 219 1HD1 ILE 28 1HD1 ILE 28 4.143 -5.104 -6.054 220 2HD1 ILE 28 2HD1 ILE 28 5.293 -4.873 -7.373 221 3HD1 ILE 28 3HD1 ILE 28 5.760 -5.862 -5.967 222 H ILE 29 H ILE 29 6.348 -6.599 -1.472 223 HA ILE 29 HA ILE 29 5.971 -4.726 0.811 224 HB ILE 29 HB ILE 29 6.450 -7.729 0.733 225 1HG1 ILE 29 1HG1 ILE 29 3.965 -6.038 1.316 226 2HG1 ILE 29 2HG1 ILE 29 4.310 -7.016 -0.120 227 1HG2 ILE 29 1HG2 ILE 29 7.417 -6.856 2.786 228 2HG2 ILE 29 2HG2 ILE 29 6.007 -5.811 3.074 229 3HG2 ILE 29 3HG2 ILE 29 5.871 -7.580 3.213 230 1HD1 ILE 29 1HD1 ILE 29 3.638 -7.999 2.603 231 2HD1 ILE 29 2HD1 ILE 29 2.913 -8.366 1.022 232 3HD1 ILE 29 3HD1 ILE 29 4.485 -9.026 1.428 233 H TYR 30 H TYR 30 7.638 -3.494 1.178 234 HA TYR 30 HA TYR 30 10.429 -4.493 0.760 235 1HB TYR 30 1HB TYR 30 9.647 -2.147 -0.001 236 2HB TYR 30 2HB TYR 30 9.481 -1.778 1.708 237 HD1 TYR 30 HD1 TYR 30 11.890 -2.566 -1.015 238 HD2 TYR 30 HD2 TYR 30 11.458 -1.553 3.146 239 HE1 TYR 30 HE1 TYR 30 14.303 -2.016 -0.904 240 HE2 TYR 30 HE2 TYR 30 13.883 -0.978 3.260 241 HH TYR 30 HH TYR 30 16.089 -1.393 0.493 242 H ASP 31 H ASP 31 11.492 -5.268 2.491 243 HA ASP 31 HA ASP 31 10.435 -5.045 5.209 244 1HB ASP 31 1HB ASP 31 11.118 -7.185 3.894 245 2HB ASP 31 2HB ASP 31 12.769 -6.662 4.211 246 H THR 32 H THR 32 11.232 -3.297 6.514 247 HA THR 32 HA THR 32 13.961 -2.291 5.845 248 HB THR 32 HB THR 32 13.516 -0.544 7.558 249 HG1 THR 32 HG1 THR 32 10.924 -1.665 7.440 250 1HG2 THR 32 1HG2 THR 32 13.308 0.043 5.244 251 2HG2 THR 32 2HG2 THR 32 11.704 -0.675 5.114 252 3HG2 THR 32 3HG2 THR 32 11.936 0.770 6.089 253 H GLU 33 H GLU 33 14.231 -4.734 6.474 254 HA GLU 33 HA GLU 33 15.981 -4.486 8.785 255 1HB GLU 33 1HB GLU 33 13.777 -6.564 8.664 256 2HB GLU 33 2HB GLU 33 15.373 -7.123 9.105 257 1HG GLU 33 1HG GLU 33 15.526 -5.243 10.775 258 2HG GLU 33 2HG GLU 33 13.800 -4.987 10.536 259 H SER 34 H SER 34 15.243 -5.921 5.671 260 HA SER 34 HA SER 34 18.154 -5.924 5.590 261 1HB SER 34 1HB SER 34 18.274 -8.255 4.635 262 2HB SER 34 2HB SER 34 17.715 -8.205 6.309 263 HG SER 34 HG SER 34 15.628 -8.603 5.681 264 H GLY 35 H GLY 35 15.756 -4.527 4.262 265 1HA GLY 35 1HA GLY 35 15.495 -3.457 2.324 266 2HA GLY 35 2HA GLY 35 17.125 -3.935 1.816 267 H ASN 36 H ASN 36 15.193 -6.593 2.652 268 HA ASN 36 HA ASN 36 15.008 -7.732 0.050 269 1HB ASN 36 1HB ASN 36 13.858 -8.326 2.784 270 2HB ASN 36 2HB ASN 36 13.146 -9.128 1.385 271 1HD2 ASN 36 1HD2 ASN 36 13.832 -11.261 2.028 272 2HD2 ASN 36 2HD2 ASN 36 15.535 -11.658 2.067 273 H VAL 37 H VAL 37 13.138 -8.150 -1.095 274 HA VAL 37 HA VAL 37 10.815 -6.531 -0.517 275 HB VAL 37 HB VAL 37 11.477 -6.509 -3.426 276 1HG1 VAL 37 1HG1 VAL 37 9.354 -5.614 -2.495 277 2HG1 VAL 37 2HG1 VAL 37 10.285 -4.544 -1.414 278 3HG1 VAL 37 3HG1 VAL 37 10.350 -4.307 -3.169 279 1HG2 VAL 37 1HG2 VAL 37 12.692 -4.350 -3.260 280 2HG2 VAL 37 2HG2 VAL 37 12.892 -4.608 -1.512 281 3HG2 VAL 37 3HG2 VAL 37 13.643 -5.716 -2.677 282 H GLU 38 H GLU 38 8.870 -7.400 -1.665 283 HA GLU 38 HA GLU 38 9.232 -10.029 -2.954 284 1HB GLU 38 1HB GLU 38 9.024 -10.526 -0.566 285 2HB GLU 38 2HB GLU 38 7.683 -9.396 -0.412 286 1HG GLU 38 1HG GLU 38 6.711 -11.491 -0.419 287 2HG GLU 38 2HG GLU 38 6.358 -10.818 -1.989 288 H VAL 39 H VAL 39 7.664 -10.351 -4.580 289 HA VAL 39 HA VAL 39 5.609 -8.247 -4.820 290 HB VAL 39 HB VAL 39 6.584 -10.196 -6.921 291 1HG1 VAL 39 1HG1 VAL 39 5.523 -8.923 -8.543 292 2HG1 VAL 39 2HG1 VAL 39 4.277 -9.171 -7.343 293 3HG1 VAL 39 3HG1 VAL 39 5.063 -7.588 -7.487 294 1HG2 VAL 39 1HG2 VAL 39 7.752 -8.195 -7.913 295 2HG2 VAL 39 2HG2 VAL 39 7.453 -7.327 -6.398 296 3HG2 VAL 39 3HG2 VAL 39 8.464 -8.787 -6.412 297 H VAL 40 H VAL 40 3.694 -8.828 -3.973 298 HA VAL 40 HA VAL 40 2.538 -11.567 -4.134 299 HB VAL 40 HB VAL 40 1.828 -8.861 -2.968 300 1HG1 VAL 40 1HG1 VAL 40 -0.488 -9.588 -2.435 301 2HG1 VAL 40 2HG1 VAL 40 -0.253 -9.253 -4.154 302 3HG1 VAL 40 3HG1 VAL 40 -0.337 -10.936 -3.564 303 1HG2 VAL 40 1HG2 VAL 40 1.450 -10.141 -0.984 304 2HG2 VAL 40 2HG2 VAL 40 1.295 -11.670 -1.892 305 3HG2 VAL 40 3HG2 VAL 40 2.863 -10.882 -1.773 306 H GLU 41 H GLU 41 0.479 -11.796 -5.398 307 HA GLU 41 HA GLU 41 0.034 -9.842 -7.545 308 1HB GLU 41 1HB GLU 41 1.076 -11.874 -8.628 309 2HB GLU 41 2HB GLU 41 -0.283 -12.843 -7.999 310 1HG GLU 41 1HG GLU 41 -1.886 -11.658 -9.285 311 2HG GLU 41 2HG GLU 41 -0.746 -10.378 -9.680 312 H ASN 42 H ASN 42 -1.972 -9.059 -7.146 313 HA ASN 42 HA ASN 42 -3.932 -10.733 -5.699 314 1HB ASN 42 1HB ASN 42 -2.398 -8.670 -4.538 315 2HB ASN 42 2HB ASN 42 -3.887 -7.866 -4.896 316 1HD2 ASN 42 1HD2 ASN 42 -5.458 -10.728 -4.238 317 2HD2 ASN 42 2HD2 ASN 42 -5.246 -10.695 -2.511 318 H THR 43 H THR 43 -5.590 -10.933 -7.139 319 HA THR 43 HA THR 43 -5.747 -8.960 -9.281 320 HB THR 43 HB THR 43 -7.382 -10.668 -10.143 321 HG1 THR 43 HG1 THR 43 -8.055 -11.373 -8.063 322 1HG2 THR 43 1HG2 THR 43 -4.901 -10.958 -10.592 323 2HG2 THR 43 2HG2 THR 43 -4.754 -11.950 -9.143 324 3HG2 THR 43 3HG2 THR 43 -5.763 -12.492 -10.494 325 H ILE 44 H ILE 44 -6.165 -7.185 -7.726 326 HA ILE 44 HA ILE 44 -8.755 -7.283 -6.357 327 HB ILE 44 HB ILE 44 -6.885 -4.954 -6.135 328 1HG1 ILE 44 1HG1 ILE 44 -5.411 -6.762 -5.739 329 2HG1 ILE 44 2HG1 ILE 44 -5.845 -6.100 -4.184 330 1HG2 ILE 44 1HG2 ILE 44 -9.008 -4.733 -5.016 331 2HG2 ILE 44 2HG2 ILE 44 -8.739 -6.284 -4.167 332 3HG2 ILE 44 3HG2 ILE 44 -7.653 -4.928 -3.852 333 1HD1 ILE 44 1HD1 ILE 44 -6.306 -8.783 -5.245 334 2HD1 ILE 44 2HD1 ILE 44 -6.342 -8.201 -3.546 335 3HD1 ILE 44 3HD1 ILE 44 -7.778 -8.143 -4.560 336 H ALA 45 H ALA 45 -10.433 -6.694 -7.296 337 HA ALA 45 HA ALA 45 -10.440 -4.383 -9.179 338 1HB ALA 45 1HB ALA 45 -10.848 -6.588 -10.237 339 2HB ALA 45 2HB ALA 45 -12.260 -6.827 -9.182 340 3HB ALA 45 3HB ALA 45 -12.240 -5.510 -10.381 341 H ASP 46 H ASP 46 -13.146 -4.186 -9.343 342 HA ASP 46 HA ASP 46 -13.821 -2.632 -6.986 343 1HB ASP 46 1HB ASP 46 -15.911 -2.150 -8.416 344 2HB ASP 46 2HB ASP 46 -14.370 -1.477 -8.912 345 H ALA 47 H ALA 47 -14.619 -3.651 -5.361 346 HA ALA 47 HA ALA 47 -16.459 -5.986 -5.624 347 1HB ALA 47 1HB ALA 47 -14.136 -6.560 -4.757 348 2HB ALA 47 2HB ALA 47 -14.488 -5.561 -3.343 349 3HB ALA 47 3HB ALA 47 -15.486 -6.982 -3.684 350 H HIS 48 H HIS 48 -18.073 -6.033 -3.796 351 HA HIS 48 HA HIS 48 -19.015 -3.340 -3.259 352 1HB HIS 48 1HB HIS 48 -20.010 -6.060 -2.376 353 2HB HIS 48 2HB HIS 48 -20.799 -4.543 -1.999 354 HD1 HIS 48 HD1 HIS 48 -19.456 -5.372 -5.642 355 HD2 HIS 48 HD2 HIS 48 -23.005 -5.007 -3.353 356 HE1 HIS 48 HE1 HIS 48 -21.321 -5.660 -7.213 357 H GLY 49 H GLY 49 -17.718 -6.023 -1.168 358 1HA GLY 49 1HA GLY 49 -16.195 -4.585 0.611 359 2HA GLY 49 2HA GLY 49 -17.853 -4.392 1.214 360 H THR 50 H THR 50 -18.071 -5.770 2.883 361 HA THR 50 HA THR 50 -17.984 -7.547 4.237 362 HB THR 50 HB THR 50 -17.778 -9.257 1.735 363 HG1 THR 50 HG1 THR 50 -19.564 -7.976 1.584 364 1HG2 THR 50 1HG2 THR 50 -18.897 -9.918 4.491 365 2HG2 THR 50 2HG2 THR 50 -18.861 -10.983 3.076 366 3HG2 THR 50 3HG2 THR 50 -17.352 -10.506 3.852 367 H GLY 51 H GLY 51 -16.165 -7.214 5.440 368 1HA GLY 51 1HA GLY 51 -14.122 -7.713 6.319 369 2HA GLY 51 2HA GLY 51 -13.983 -9.025 5.139 370 HA PRO 52 HA PRO 52 -10.927 -5.954 3.456 371 1HB PRO 52 1HB PRO 52 -8.621 -7.127 4.121 372 2HB PRO 52 2HB PRO 52 -9.522 -6.111 5.260 373 1HG PRO 52 1HG PRO 52 -9.440 -9.123 5.170 374 2HG PRO 52 2HG PRO 52 -9.292 -8.101 6.583 375 1HD PRO 52 1HD PRO 52 -11.707 -9.208 5.794 376 2HD PRO 52 2HD PRO 52 -11.563 -7.707 6.753 377 H LYS 53 H LYS 53 -8.945 -7.218 2.107 378 HA LYS 53 HA LYS 53 -9.710 -9.742 0.933 379 1HB LYS 53 1HB LYS 53 -9.822 -8.911 -1.436 380 2HB LYS 53 2HB LYS 53 -11.209 -8.508 -0.432 381 1HG LYS 53 1HG LYS 53 -10.192 -6.183 -0.100 382 2HG LYS 53 2HG LYS 53 -9.006 -6.616 -1.351 383 1HD LYS 53 1HD LYS 53 -10.804 -6.867 -3.003 384 2HD LYS 53 2HD LYS 53 -12.035 -6.580 -1.747 385 1HE LYS 53 1HE LYS 53 -11.093 -4.373 -1.257 386 2HE LYS 53 2HE LYS 53 -9.807 -4.619 -2.436 387 1HZ LYS 53 1HZ LYS 53 -11.401 -3.268 -3.436 388 2HZ LYS 53 2HZ LYS 53 -11.580 -4.711 -4.187 389 3HZ LYS 53 3HZ LYS 53 -12.656 -4.202 -3.015 390 H VAL 54 H VAL 54 -7.855 -6.779 0.363 391 HA VAL 54 HA VAL 54 -5.366 -8.212 -0.239 392 HB VAL 54 HB VAL 54 -6.248 -6.259 -1.479 393 1HG1 VAL 54 1HG1 VAL 54 -5.754 -4.502 0.916 394 2HG1 VAL 54 2HG1 VAL 54 -6.248 -4.023 -0.710 395 3HG1 VAL 54 3HG1 VAL 54 -7.361 -4.959 0.280 396 1HG2 VAL 54 1HG2 VAL 54 -4.144 -4.800 -1.323 397 2HG2 VAL 54 2HG2 VAL 54 -3.586 -5.956 -0.115 398 3HG2 VAL 54 3HG2 VAL 54 -3.954 -6.504 -1.753 399 H VAL 55 H VAL 55 -6.691 -6.176 2.394 400 HA VAL 55 HA VAL 55 -4.349 -6.079 4.003 401 HB VAL 55 HB VAL 55 -6.955 -6.066 5.394 402 1HG1 VAL 55 1HG1 VAL 55 -4.686 -4.054 5.101 403 2HG1 VAL 55 2HG1 VAL 55 -6.066 -3.866 6.203 404 3HG1 VAL 55 3HG1 VAL 55 -4.935 -5.193 6.431 405 1HG2 VAL 55 1HG2 VAL 55 -7.865 -5.180 3.303 406 2HG2 VAL 55 2HG2 VAL 55 -7.682 -3.874 4.466 407 3HG2 VAL 55 3HG2 VAL 55 -6.497 -4.061 3.152 408 H GLN 56 H GLN 56 -7.069 -8.455 4.265 409 HA GLN 56 HA GLN 56 -6.128 -9.923 6.326 410 1HB GLN 56 1HB GLN 56 -7.887 -10.379 4.070 411 2HB GLN 56 2HB GLN 56 -6.935 -11.826 4.276 412 1HG GLN 56 1HG GLN 56 -8.279 -10.559 6.686 413 2HG GLN 56 2HG GLN 56 -9.199 -11.528 5.543 414 1HE2 GLN 56 1HE2 GLN 56 -9.638 -13.127 7.181 415 2HE2 GLN 56 2HE2 GLN 56 -8.429 -14.407 7.392 416 H SER 57 H SER 57 -5.074 -10.277 2.936 417 HA SER 57 HA SER 57 -3.037 -12.179 3.323 418 1HB SER 57 1HB SER 57 -3.781 -10.080 1.254 419 2HB SER 57 2HB SER 57 -2.215 -10.804 1.120 420 HG SER 57 HG SER 57 -3.613 -12.902 1.323 421 H LEU 58 H LEU 58 -2.644 -8.606 2.898 422 HA LEU 58 HA LEU 58 0.154 -8.782 3.107 423 1HB LEU 58 1HB LEU 58 -1.798 -6.503 3.646 424 2HB LEU 58 2HB LEU 58 -0.047 -6.300 3.619 425 HG LEU 58 HG LEU 58 -1.514 -7.451 1.266 426 1HD1 LEU 58 1HD1 LEU 58 -0.772 -4.538 1.807 427 2HD1 LEU 58 2HD1 LEU 58 -1.400 -5.186 0.268 428 3HD1 LEU 58 3HD1 LEU 58 -2.413 -5.212 1.716 429 1HD2 LEU 58 1HD2 LEU 58 0.995 -7.770 1.579 430 2HD2 LEU 58 2HD2 LEU 58 0.472 -7.096 0.078 431 3HD2 LEU 58 3HD2 LEU 58 1.169 -6.032 1.331 432 H VAL 59 H VAL 59 -2.232 -8.165 5.586 433 HA VAL 59 HA VAL 59 -0.597 -7.606 7.807 434 HB VAL 59 HB VAL 59 -3.343 -8.733 7.199 435 1HG1 VAL 59 1HG1 VAL 59 -2.385 -8.068 10.022 436 2HG1 VAL 59 2HG1 VAL 59 -4.028 -8.530 9.511 437 3HG1 VAL 59 3HG1 VAL 59 -2.707 -9.702 9.421 438 1HG2 VAL 59 1HG2 VAL 59 -2.956 -6.350 6.766 439 2HG2 VAL 59 2HG2 VAL 59 -4.050 -6.532 8.152 440 3HG2 VAL 59 3HG2 VAL 59 -2.339 -6.115 8.402 441 H SER 60 H SER 60 -1.432 -10.743 6.255 442 HA SER 60 HA SER 60 -0.416 -12.432 8.303 443 1HB SER 60 1HB SER 60 -1.825 -12.933 6.179 444 2HB SER 60 2HB SER 60 -0.278 -12.990 5.322 445 HG SER 60 HG SER 60 -1.215 -14.988 6.120 446 H LYS 61 H LYS 61 1.237 -10.377 5.909 447 HA LYS 61 HA LYS 61 3.870 -11.683 6.492 448 1HB LYS 61 1HB LYS 61 3.178 -9.643 4.321 449 2HB LYS 61 2HB LYS 61 4.690 -10.496 4.545 450 1HG LYS 61 1HG LYS 61 3.802 -11.619 2.801 451 2HG LYS 61 2HG LYS 61 3.365 -12.662 4.171 452 1HD LYS 61 1HD LYS 61 1.171 -12.437 3.785 453 2HD LYS 61 2HD LYS 61 1.284 -10.686 3.622 454 1HE LYS 61 1HE LYS 61 0.354 -11.835 1.628 455 2HE LYS 61 2HE LYS 61 1.765 -10.812 1.287 456 1HZ LYS 61 1HZ LYS 61 3.011 -12.564 0.776 457 2HZ LYS 61 2HZ LYS 61 2.303 -13.615 1.818 458 3HZ LYS 61 3HZ LYS 61 1.555 -13.253 0.399 459 H GLY 62 H GLY 62 2.494 -10.038 8.470 460 1HA GLY 62 1HA GLY 62 3.027 -8.392 9.944 461 2HA GLY 62 2HA GLY 62 4.680 -8.649 9.342 462 H VAL 63 H VAL 63 2.244 -7.331 7.150 463 HA VAL 63 HA VAL 63 3.968 -5.032 6.727 464 HB VAL 63 HB VAL 63 1.258 -5.867 5.606 465 1HG1 VAL 63 1HG1 VAL 63 1.480 -3.370 5.533 466 2HG1 VAL 63 2HG1 VAL 63 2.989 -3.558 4.625 467 3HG1 VAL 63 3HG1 VAL 63 1.434 -4.136 3.955 468 1HG2 VAL 63 1HG2 VAL 63 3.243 -7.210 4.869 469 2HG2 VAL 63 2HG2 VAL 63 2.508 -6.283 3.550 470 3HG2 VAL 63 3HG2 VAL 63 4.012 -5.707 4.309 471 H GLU 64 H GLU 64 4.010 -3.819 8.656 472 HA GLU 64 HA GLU 64 1.345 -2.761 9.568 473 1HB GLU 64 1HB GLU 64 3.908 -2.273 11.065 474 2HB GLU 64 2HB GLU 64 2.251 -2.247 11.604 475 1HG GLU 64 1HG GLU 64 2.281 -4.825 11.043 476 2HG GLU 64 2HG GLU 64 3.985 -4.660 10.927 477 H TYR 65 H TYR 65 2.574 -1.917 7.043 478 HA TYR 65 HA TYR 65 2.787 0.950 7.450 479 1HB TYR 65 1HB TYR 65 5.101 -0.798 7.432 480 2HB TYR 65 2HB TYR 65 5.193 -0.002 6.100 481 HD1 TYR 65 HD1 TYR 65 5.242 0.151 9.736 482 HD2 TYR 65 HD2 TYR 65 5.527 2.682 6.224 483 HE1 TYR 65 HE1 TYR 65 6.504 1.823 11.021 484 HE2 TYR 65 HE2 TYR 65 6.797 4.322 7.523 485 HH TYR 65 HH TYR 65 8.257 3.619 10.492 486 H LEU 66 H LEU 66 2.712 2.026 5.316 487 HA LEU 66 HA LEU 66 2.299 0.450 2.886 488 1HB LEU 66 1HB LEU 66 0.180 0.059 4.001 489 2HB LEU 66 2HB LEU 66 0.097 1.713 4.550 490 HG LEU 66 HG LEU 66 -0.221 2.511 2.330 491 1HD1 LEU 66 1HD1 LEU 66 0.682 1.026 0.772 492 2HD1 LEU 66 2HD1 LEU 66 -0.143 -0.380 1.514 493 3HD1 LEU 66 3HD1 LEU 66 -1.029 0.820 0.553 494 1HD2 LEU 66 1HD2 LEU 66 -2.566 1.751 2.059 495 2HD2 LEU 66 2HD2 LEU 66 -2.215 0.280 2.999 496 3HD2 LEU 66 3HD2 LEU 66 -2.200 1.867 3.773 497 H ILE 67 H ILE 67 2.395 1.824 1.087 498 HA ILE 67 HA ILE 67 2.570 4.768 1.537 499 HB ILE 67 HB ILE 67 4.156 2.956 -0.385 500 1HG1 ILE 67 1HG1 ILE 67 5.281 5.104 1.506 501 2HG1 ILE 67 2HG1 ILE 67 4.846 3.589 2.229 502 1HG2 ILE 67 1HG2 ILE 67 5.247 5.266 -0.941 503 2HG2 ILE 67 2HG2 ILE 67 3.668 4.901 -1.665 504 3HG2 ILE 67 3HG2 ILE 67 3.803 5.988 -0.252 505 1HD1 ILE 67 1HD1 ILE 67 6.385 2.341 0.843 506 2HD1 ILE 67 2HD1 ILE 67 6.796 3.774 -0.095 507 3HD1 ILE 67 3HD1 ILE 67 7.247 3.680 1.617 508 H ALA 68 H ALA 68 0.494 5.416 0.847 509 HA ALA 68 HA ALA 68 -0.328 4.500 -1.786 510 1HB ALA 68 1HB ALA 68 -2.049 4.022 0.692 511 2HB ALA 68 2HB ALA 68 -2.601 3.838 -0.989 512 3HB ALA 68 3HB ALA 68 -1.321 2.781 -0.359 513 H SER 69 H SER 69 -1.600 6.067 -2.831 514 HA SER 69 HA SER 69 -1.544 8.715 -1.636 515 1HB SER 69 1HB SER 69 -2.544 9.432 -3.789 516 2HB SER 69 2HB SER 69 -1.174 8.369 -4.038 517 HG SER 69 HG SER 69 -3.276 7.961 -5.217 518 H ASN 70 H ASN 70 -3.885 6.184 -1.673 519 HA ASN 70 HA ASN 70 -6.062 7.553 -0.360 520 1HB ASN 70 1HB ASN 70 -6.011 8.468 -2.847 521 2HB ASN 70 2HB ASN 70 -6.209 6.762 -3.304 522 1HD2 ASN 70 1HD2 ASN 70 -7.934 9.392 -1.475 523 2HD2 ASN 70 2HD2 ASN 70 -9.497 8.896 -2.070 524 H VAL 71 H VAL 71 -8.161 5.848 -0.932 525 HA VAL 71 HA VAL 71 -7.061 3.114 -1.305 526 HB VAL 71 HB VAL 71 -7.125 3.914 1.007 527 1HG1 VAL 71 1HG1 VAL 71 -9.248 3.723 2.302 528 2HG1 VAL 71 2HG1 VAL 71 -9.322 5.038 1.109 529 3HG1 VAL 71 3HG1 VAL 71 -10.149 3.503 0.803 530 1HG2 VAL 71 1HG2 VAL 71 -8.905 1.474 0.874 531 2HG2 VAL 71 2HG2 VAL 71 -7.260 1.420 0.238 532 3HG2 VAL 71 3HG2 VAL 71 -7.504 1.850 1.932 533 H GLY 72 H GLY 72 -8.247 1.705 -2.306 534 1HA GLY 72 1HA GLY 72 -10.155 2.225 -4.197 535 2HA GLY 72 2HA GLY 72 -9.773 0.671 -3.541 536 H ARG 73 H ARG 73 -10.864 1.935 -0.851 537 HA ARG 73 HA ARG 73 -12.942 2.873 -0.284 538 1HB ARG 73 1HB ARG 73 -14.214 0.560 -1.749 539 2HB ARG 73 2HB ARG 73 -15.003 1.395 -0.423 540 1HG ARG 73 1HG ARG 73 -14.515 3.594 -1.778 541 2HG ARG 73 2HG ARG 73 -14.391 2.520 -3.156 542 1HD ARG 73 1HD ARG 73 -16.772 2.777 -1.277 543 2HD ARG 73 2HD ARG 73 -16.664 3.395 -2.928 544 HE ARG 73 HE ARG 73 -16.307 0.943 -3.585 545 1HH1 ARG 73 2HH2 ARG 73 -18.638 1.913 -0.945 546 2HH1 ARG 73 1HH2 ARG 73 -19.431 0.394 -1.069 547 1HH2 ARG 73 2HH1 ARG 73 -17.414 -0.992 -3.600 548 2HH2 ARG 73 1HH1 ARG 73 -18.842 -1.176 -2.588 549 H ASN 74 H ASN 74 -13.820 -0.482 0.169 550 HA ASN 74 HA ASN 74 -13.326 -0.332 2.991 551 1HB ASN 74 1HB ASN 74 -13.969 -2.650 1.128 552 2HB ASN 74 2HB ASN 74 -13.629 -2.880 2.831 553 1HD2 ASN 74 1HD2 ASN 74 -15.478 -2.935 4.138 554 2HD2 ASN 74 2HD2 ASN 74 -16.937 -2.005 3.791 555 H ALA 75 H ALA 75 -11.726 -1.094 4.187 556 HA ALA 75 HA ALA 75 -9.736 -2.716 4.143 557 1HB ALA 75 1HB ALA 75 -8.753 -0.368 2.473 558 2HB ALA 75 2HB ALA 75 -7.671 -1.482 3.325 559 3HB ALA 75 3HB ALA 75 -8.703 -2.107 2.030 560 H PHE 76 H PHE 76 -10.454 0.730 4.531 561 HA PHE 76 HA PHE 76 -8.175 1.517 5.910 562 1HB PHE 76 1HB PHE 76 -9.725 3.051 4.905 563 2HB PHE 76 2HB PHE 76 -11.023 2.540 5.968 564 HD1 PHE 76 HD1 PHE 76 -11.492 3.928 7.834 565 HD2 PHE 76 HD2 PHE 76 -7.539 3.987 6.126 566 HE1 PHE 76 HE1 PHE 76 -10.915 5.928 9.188 567 HE2 PHE 76 HE2 PHE 76 -6.962 5.971 7.420 568 HZ PHE 76 HZ PHE 76 -8.689 6.992 8.972 569 H GLU 77 H GLU 77 -11.182 0.235 7.248 570 HA GLU 77 HA GLU 77 -10.674 0.662 10.011 571 1HB GLU 77 1HB GLU 77 -12.261 -1.519 8.609 572 2HB GLU 77 2HB GLU 77 -12.420 -1.083 10.300 573 1HG GLU 77 1HG GLU 77 -13.467 0.992 9.798 574 2HG GLU 77 2HG GLU 77 -12.930 0.976 8.113 575 H THR 78 H THR 78 -9.809 -1.913 7.727 576 HA THR 78 HA THR 78 -8.786 -3.726 9.751 577 HB THR 78 HB THR 78 -8.341 -3.889 6.738 578 HG1 THR 78 HG1 THR 78 -10.677 -4.371 8.239 579 1HG2 THR 78 1HG2 THR 78 -8.352 -6.235 7.075 580 2HG2 THR 78 2HG2 THR 78 -7.207 -5.563 8.235 581 3HG2 THR 78 3HG2 THR 78 -8.821 -6.082 8.765 582 H LEU 79 H LEU 79 -7.552 -0.993 7.948 583 HA LEU 79 HA LEU 79 -4.747 -1.848 8.068 584 1HB LEU 79 1HB LEU 79 -6.056 0.859 7.554 585 2HB LEU 79 2HB LEU 79 -4.319 0.614 7.601 586 HG LEU 79 HG LEU 79 -6.075 -0.938 5.650 587 1HD1 LEU 79 1HD1 LEU 79 -4.419 1.519 4.963 588 2HD1 LEU 79 2HD1 LEU 79 -5.317 0.541 3.823 589 3HD1 LEU 79 3HD1 LEU 79 -6.194 1.479 5.032 590 1HD2 LEU 79 1HD2 LEU 79 -3.076 -0.416 5.738 591 2HD2 LEU 79 2HD2 LEU 79 -3.857 -1.952 6.151 592 3HD2 LEU 79 3HD2 LEU 79 -3.912 -1.358 4.499 593 H LYS 80 H LYS 80 -6.797 0.437 9.928 594 HA LYS 80 HA LYS 80 -4.751 0.890 11.896 595 1HB LYS 80 1HB LYS 80 -6.706 1.768 13.167 596 2HB LYS 80 2HB LYS 80 -6.181 2.599 11.714 597 1HG LYS 80 1HG LYS 80 -8.169 0.999 10.677 598 2HG LYS 80 2HG LYS 80 -8.762 1.183 12.322 599 1HD LYS 80 1HD LYS 80 -9.679 2.841 10.714 600 2HD LYS 80 2HD LYS 80 -8.796 3.627 12.038 601 1HE LYS 80 1HE LYS 80 -7.069 2.927 9.725 602 2HE LYS 80 2HE LYS 80 -8.440 3.908 9.258 603 1HZ LYS 80 1HZ LYS 80 -6.579 4.706 11.428 604 2HZ LYS 80 2HZ LYS 80 -6.491 5.231 9.879 605 3HZ LYS 80 3HZ LYS 80 -7.818 5.574 10.818 606 H ALA 81 H ALA 81 -7.355 -1.483 11.625 607 HA ALA 81 HA ALA 81 -7.105 -2.600 14.185 608 1HB ALA 81 1HB ALA 81 -7.443 -4.142 11.583 609 2HB ALA 81 2HB ALA 81 -7.769 -4.742 13.210 610 3HB ALA 81 3HB ALA 81 -8.760 -3.424 12.553 611 H ALA 82 H ALA 82 -5.138 -3.535 11.236 612 HA ALA 82 HA ALA 82 -3.332 -5.009 13.037 613 1HB ALA 82 1HB ALA 82 -2.262 -5.614 10.859 614 2HB ALA 82 2HB ALA 82 -4.008 -5.923 10.874 615 3HB ALA 82 3HB ALA 82 -3.375 -4.495 10.031 616 H GLY 83 H GLY 83 -3.400 -2.136 13.498 617 1HA GLY 83 1HA GLY 83 -2.108 -0.332 13.784 618 2HA GLY 83 2HA GLY 83 -0.824 -1.498 14.159 619 H VAL 84 H VAL 84 -2.251 -1.052 10.922 620 HA VAL 84 HA VAL 84 0.385 -0.815 9.856 621 HB VAL 84 HB VAL 84 -2.326 -0.650 8.445 622 1HG1 VAL 84 1HG1 VAL 84 -1.236 -1.536 6.482 623 2HG1 VAL 84 2HG1 VAL 84 -0.354 -0.090 6.982 624 3HG1 VAL 84 3HG1 VAL 84 0.287 -1.715 7.333 625 1HG2 VAL 84 1HG2 VAL 84 -0.769 -3.129 9.199 626 2HG2 VAL 84 2HG2 VAL 84 -2.351 -2.629 9.760 627 3HG2 VAL 84 3HG2 VAL 84 -2.150 -3.088 8.072 628 H LYS 85 H LYS 85 1.576 0.956 9.504 629 HA LYS 85 HA LYS 85 0.295 3.529 9.727 630 1HB LYS 85 1HB LYS 85 2.676 3.010 10.523 631 2HB LYS 85 2HB LYS 85 3.126 2.781 8.833 632 1HG LYS 85 1HG LYS 85 3.804 5.001 9.132 633 2HG LYS 85 2HG LYS 85 2.222 5.202 8.495 634 1HD LYS 85 1HD LYS 85 2.107 6.654 10.171 635 2HD LYS 85 2HD LYS 85 1.512 5.261 11.085 636 1HE LYS 85 1HE LYS 85 3.753 4.884 12.027 637 2HE LYS 85 2HE LYS 85 4.454 6.068 10.921 638 1HZ LYS 85 1HZ LYS 85 3.279 7.805 12.058 639 2HZ LYS 85 2HZ LYS 85 2.658 6.747 13.157 640 3HZ LYS 85 3HZ LYS 85 4.274 7.014 13.062 641 H VAL 86 H VAL 86 0.450 5.106 7.772 642 HA VAL 86 HA VAL 86 0.348 3.839 5.127 643 HB VAL 86 HB VAL 86 -2.060 5.280 6.295 644 1HG1 VAL 86 1HG1 VAL 86 -1.418 4.085 3.582 645 2HG1 VAL 86 2HG1 VAL 86 -3.105 4.365 4.092 646 3HG1 VAL 86 3HG1 VAL 86 -1.960 5.713 3.979 647 1HG2 VAL 86 1HG2 VAL 86 -2.077 3.141 7.350 648 2HG2 VAL 86 2HG2 VAL 86 -3.283 3.119 6.078 649 3HG2 VAL 86 3HG2 VAL 86 -1.710 2.297 5.856 650 H TYR 87 H TYR 87 1.626 5.228 4.054 651 HA TYR 87 HA TYR 87 1.622 8.111 4.734 652 1HB TYR 87 1HB TYR 87 3.423 6.226 3.280 653 2HB TYR 87 2HB TYR 87 3.418 7.876 2.728 654 HD1 TYR 87 HD1 TYR 87 4.428 9.590 4.063 655 HD2 TYR 87 HD2 TYR 87 3.994 5.670 5.739 656 HE1 TYR 87 HE1 TYR 87 6.014 10.225 5.780 657 HE2 TYR 87 HE2 TYR 87 5.695 6.249 7.477 658 HH TYR 87 HH TYR 87 6.844 9.575 7.895 659 H ARG 88 H ARG 88 1.354 9.553 2.947 660 HA ARG 88 HA ARG 88 -0.402 8.706 0.717 661 1HB ARG 88 1HB ARG 88 -0.714 10.926 1.870 662 2HB ARG 88 2HB ARG 88 0.872 11.412 1.310 663 1HG ARG 88 1HG ARG 88 0.063 12.069 -0.658 664 2HG ARG 88 2HG ARG 88 -0.583 10.505 -1.004 665 1HD ARG 88 1HD ARG 88 -2.465 11.843 -1.199 666 2HD ARG 88 2HD ARG 88 -2.654 11.108 0.386 667 HE ARG 88 HE ARG 88 -2.693 13.238 1.263 668 1HH1 ARG 88 2HH2 ARG 88 -1.082 13.521 -1.913 669 2HH1 ARG 88 1HH2 ARG 88 -0.551 15.138 -1.660 670 1HH2 ARG 88 2HH1 ARG 88 -2.033 15.306 1.595 671 2HH2 ARG 88 1HH1 ARG 88 -0.729 15.918 0.674 672 H PHE 89 H PHE 89 0.440 8.966 -1.538 673 HA PHE 89 HA PHE 89 3.195 9.733 -1.882 674 1HB PHE 89 1HB PHE 89 4.043 7.777 -2.544 675 2HB PHE 89 2HB PHE 89 2.591 6.993 -1.993 676 HD1 PHE 89 HD1 PHE 89 4.606 7.281 -5.039 677 HD2 PHE 89 HD2 PHE 89 0.523 7.104 -3.540 678 HE1 PHE 89 HE1 PHE 89 3.809 6.778 -7.183 679 HE2 PHE 89 HE2 PHE 89 -0.280 6.653 -5.848 680 HZ PHE 89 HZ PHE 89 1.369 6.537 -7.713 681 H GLU 90 H GLU 90 3.476 10.330 -4.305 682 HA GLU 90 HA GLU 90 0.906 11.021 -5.599 683 1HB GLU 90 1HB GLU 90 1.797 13.355 -5.949 684 2HB GLU 90 2HB GLU 90 1.207 12.904 -4.361 685 1HG GLU 90 1HG GLU 90 3.464 12.754 -3.465 686 2HG GLU 90 2HG GLU 90 4.168 12.993 -5.066 687 H GLY 91 H GLY 91 1.607 9.279 -6.906 688 1HA GLY 91 1HA GLY 91 1.831 8.719 -9.123 689 2HA GLY 91 2HA GLY 91 2.094 10.437 -9.399 690 H GLY 92 H GLY 92 3.613 7.317 -8.987 691 1HA GLY 92 1HA GLY 92 6.340 8.081 -9.826 692 2HA GLY 92 2HA GLY 92 6.048 7.630 -8.150 693 H THR 93 H THR 93 7.683 6.039 -9.916 694 HA THR 93 HA THR 93 6.112 3.623 -10.263 695 HB THR 93 HB THR 93 8.174 2.577 -10.975 696 HG1 THR 93 HG1 THR 93 9.615 5.007 -10.784 697 1HG2 THR 93 1HG2 THR 93 6.846 3.866 -12.631 698 2HG2 THR 93 2HG2 THR 93 7.921 5.264 -12.368 699 3HG2 THR 93 3HG2 THR 93 8.564 3.752 -13.041 700 H VAL 94 H VAL 94 6.959 1.477 -8.983 701 HA VAL 94 HA VAL 94 6.612 2.007 -6.326 702 HB VAL 94 HB VAL 94 8.015 -0.317 -7.625 703 1HG1 VAL 94 1HG1 VAL 94 7.697 -1.515 -5.480 704 2HG1 VAL 94 2HG1 VAL 94 8.843 -0.196 -5.285 705 3HG1 VAL 94 3HG1 VAL 94 7.194 -0.007 -4.691 706 1HG2 VAL 94 1HG2 VAL 94 5.317 -0.106 -6.214 707 2HG2 VAL 94 2HG2 VAL 94 5.517 0.195 -7.952 708 3HG2 VAL 94 3HG2 VAL 94 5.934 -1.385 -7.284 709 H GLN 95 H GLN 95 9.922 1.931 -7.743 710 HA GLN 95 HA GLN 95 11.218 2.531 -5.417 711 1HB GLN 95 1HB GLN 95 12.296 2.287 -7.724 712 2HB GLN 95 2HB GLN 95 11.921 3.999 -7.987 713 1HG GLN 95 1HG GLN 95 13.269 4.609 -5.983 714 2HG GLN 95 2HG GLN 95 13.631 2.901 -5.708 715 1HE2 GLN 95 1HE2 GLN 95 15.231 5.530 -6.510 716 2HE2 GLN 95 2HE2 GLN 95 16.217 4.953 -7.839 717 H GLU 96 H GLU 96 9.191 4.904 -7.007 718 HA GLU 96 HA GLU 96 10.420 7.273 -5.867 719 1HB GLU 96 1HB GLU 96 7.763 6.570 -7.159 720 2HB GLU 96 2HB GLU 96 8.160 8.207 -6.742 721 1HG GLU 96 1HG GLU 96 9.462 6.363 -8.803 722 2HG GLU 96 2HG GLU 96 8.459 7.767 -9.109 723 H ALA 97 H ALA 97 7.462 5.225 -5.253 724 HA ALA 97 HA ALA 97 6.549 6.530 -2.976 725 1HB ALA 97 1HB ALA 97 5.173 4.813 -3.686 726 2HB ALA 97 2HB ALA 97 6.519 3.734 -4.077 727 3HB ALA 97 3HB ALA 97 6.042 3.921 -2.407 728 H ILE 98 H ILE 98 9.465 4.516 -3.275 729 HA ILE 98 HA ILE 98 9.734 4.277 -0.354 730 HB ILE 98 HB ILE 98 11.863 3.518 -2.409 731 1HG1 ILE 98 1HG1 ILE 98 10.061 2.673 -3.376 732 2HG1 ILE 98 2HG1 ILE 98 10.941 1.311 -2.677 733 1HG2 ILE 98 1HG2 ILE 98 11.048 2.287 0.281 734 2HG2 ILE 98 2HG2 ILE 98 12.387 1.739 -0.754 735 3HG2 ILE 98 3HG2 ILE 98 12.447 3.341 -0.003 736 1HD1 ILE 98 1HD1 ILE 98 8.561 0.952 -2.450 737 2HD1 ILE 98 2HD1 ILE 98 9.282 1.185 -0.839 738 3HD1 ILE 98 3HD1 ILE 98 8.327 2.487 -1.591 739 H ASP 99 H ASP 99 11.646 5.555 -3.087 740 HA ASP 99 HA ASP 99 13.675 6.908 -1.716 741 1HB ASP 99 1HB ASP 99 12.433 6.979 -4.467 742 2HB ASP 99 2HB ASP 99 13.331 8.390 -4.019 743 H ALA 100 H ALA 100 10.357 7.748 -2.305 744 HA ALA 100 HA ALA 100 10.681 10.582 -1.548 745 1HB ALA 100 1HB ALA 100 8.239 10.636 -1.649 746 2HB ALA 100 2HB ALA 100 8.855 9.821 -3.091 747 3HB ALA 100 3HB ALA 100 8.167 8.854 -1.797 748 H PHE 101 H PHE 101 9.175 7.689 -0.038 749 HA PHE 101 HA PHE 101 8.691 8.827 2.506 750 1HB PHE 101 1HB PHE 101 7.571 6.860 1.997 751 2HB PHE 101 2HB PHE 101 8.994 6.039 1.378 752 HD1 PHE 101 HD1 PHE 101 10.004 4.336 2.631 753 HD2 PHE 101 HD2 PHE 101 7.750 7.411 4.665 754 HE1 PHE 101 HE1 PHE 101 10.290 3.141 4.778 755 HE2 PHE 101 HE2 PHE 101 8.194 6.287 6.832 756 HZ PHE 101 HZ PHE 101 9.433 4.137 6.894 757 H SER 102 H SER 102 11.531 6.961 1.390 758 HA SER 102 HA SER 102 12.654 6.740 4.012 759 1HB SER 102 1HB SER 102 14.431 5.566 2.869 760 2HB SER 102 2HB SER 102 12.851 5.118 2.188 761 HG SER 102 HG SER 102 14.309 5.404 0.547 762 H GLU 103 H GLU 103 13.091 9.018 1.300 763 HA GLU 103 HA GLU 103 14.922 10.606 3.067 764 1HB GLU 103 1HB GLU 103 14.216 10.993 0.150 765 2HB GLU 103 2HB GLU 103 15.522 11.769 1.035 766 1HG GLU 103 1HG GLU 103 15.807 8.796 1.074 767 2HG GLU 103 2HG GLU 103 15.602 9.415 -0.553 768 H GLY 104 H GLY 104 12.133 10.140 3.507 769 1HA GLY 104 1HA GLY 104 10.544 11.084 4.650 770 2HA GLY 104 2HA GLY 104 11.538 12.499 4.794 771 H ARG 105 H ARG 105 10.621 12.083 1.485 772 HA ARG 105 HA ARG 105 9.079 14.583 1.703 773 1HB ARG 105 1HB ARG 105 9.928 12.850 -0.668 774 2HB ARG 105 2HB ARG 105 9.093 14.408 -0.785 775 1HG ARG 105 1HG ARG 105 11.035 15.484 0.427 776 2HG ARG 105 2HG ARG 105 11.914 13.945 0.217 777 1HD ARG 105 1HD ARG 105 11.464 14.048 -2.225 778 2HD ARG 105 2HD ARG 105 10.610 15.576 -2.012 779 HE ARG 105 HE ARG 105 12.828 16.428 -1.036 780 1HH1 ARG 105 2HH2 ARG 105 12.732 14.008 -3.656 781 2HH1 ARG 105 1HH2 ARG 105 14.096 14.649 -4.472 782 1HH2 ARG 105 2HH1 ARG 105 14.608 17.145 -1.950 783 2HH2 ARG 105 1HH1 ARG 105 15.318 16.465 -3.403 784 H LEU 106 H LEU 106 7.619 12.365 2.859 785 HA LEU 106 HA LEU 106 5.312 12.373 0.993 786 1HB LEU 106 1HB LEU 106 6.380 10.030 2.600 787 2HB LEU 106 2HB LEU 106 4.733 10.085 2.028 788 HG LEU 106 HG LEU 106 7.249 9.901 0.374 789 1HD1 LEU 106 1HD1 LEU 106 5.830 7.914 1.455 790 2HD1 LEU 106 2HD1 LEU 106 4.830 8.150 0.031 791 3HD1 LEU 106 3HD1 LEU 106 6.537 7.792 -0.174 792 1HD2 LEU 106 1HD2 LEU 106 4.499 10.712 -0.582 793 2HD2 LEU 106 2HD2 LEU 106 6.060 11.351 -1.065 794 3HD2 LEU 106 3HD2 LEU 106 5.583 9.761 -1.646 795 H GLU 107 H GLU 107 3.425 11.302 2.804 796 HA GLU 107 HA GLU 107 3.449 13.144 5.145 797 1HB GLU 107 1HB GLU 107 1.000 12.710 3.374 798 2HB GLU 107 2HB GLU 107 1.198 13.838 4.725 799 1HG GLU 107 1HG GLU 107 2.908 15.071 3.333 800 2HG GLU 107 2HG GLU 107 2.556 13.922 2.019 801 H GLU 108 H GLU 108 2.160 12.242 6.948 802 HA GLU 108 HA GLU 108 1.688 9.374 6.835 803 1HB GLU 108 1HB GLU 108 2.842 10.664 8.700 804 2HB GLU 108 2HB GLU 108 1.343 11.541 9.005 805 1HG GLU 108 1HG GLU 108 0.319 9.733 10.040 806 2HG GLU 108 2HG GLU 108 1.204 8.549 9.103 807 H LEU 109 H LEU 109 -0.056 8.823 5.818 808 HA LEU 109 HA LEU 109 -2.512 10.481 5.845 809 1HB LEU 109 1HB LEU 109 -1.350 9.904 3.677 810 2HB LEU 109 2HB LEU 109 -1.755 8.214 4.008 811 HG LEU 109 HG LEU 109 -4.204 9.091 4.253 812 1HD1 LEU 109 1HD1 LEU 109 -3.056 11.451 2.739 813 2HD1 LEU 109 2HD1 LEU 109 -4.785 11.074 2.939 814 3HD1 LEU 109 3HD1 LEU 109 -3.810 11.491 4.344 815 1HD2 LEU 109 1HD2 LEU 109 -4.584 8.928 1.825 816 2HD2 LEU 109 2HD2 LEU 109 -2.830 9.104 1.552 817 3HD2 LEU 109 3HD2 LEU 109 -3.461 7.690 2.414 818 H THR 110 H THR 110 -2.578 9.462 8.290 819 HA THR 110 HA THR 110 -3.456 6.602 8.102 820 HB THR 110 HB THR 110 -2.914 6.570 10.502 821 HG1 THR 110 HG1 THR 110 -3.094 8.464 11.331 822 1HG2 THR 110 1HG2 THR 110 -0.701 7.733 8.743 823 2HG2 THR 110 2HG2 THR 110 -0.458 6.858 10.267 824 3HG2 THR 110 3HG2 THR 110 -1.152 6.030 8.863 825 H THR 111 H THR 111 -5.190 8.667 7.205 826 HA THR 111 HA THR 111 -7.352 8.964 9.190 827 HB THR 111 HB THR 111 -6.778 11.520 8.938 828 HG1 THR 111 HG1 THR 111 -4.382 11.698 8.675 829 1HG2 THR 111 1HG2 THR 111 -6.403 10.150 11.048 830 2HG2 THR 111 2HG2 THR 111 -4.702 10.035 10.560 831 3HG2 THR 111 3HG2 THR 111 -5.436 11.612 10.850 832 H PHE 112 H PHE 112 -7.596 7.790 6.604 833 HA PHE 112 HA PHE 112 -8.749 9.906 4.853 834 1HB PHE 112 1HB PHE 112 -7.875 8.586 2.968 835 2HB PHE 112 2HB PHE 112 -6.582 9.210 3.970 836 HD1 PHE 112 HD1 PHE 112 -5.415 7.719 5.563 837 HD2 PHE 112 HD2 PHE 112 -8.280 6.128 2.821 838 HE1 PHE 112 HE1 PHE 112 -4.434 5.459 5.882 839 HE2 PHE 112 HE2 PHE 112 -7.284 3.839 3.166 840 HZ PHE 112 HZ PHE 112 -5.315 3.548 4.588 841 H THR 113 H THR 113 -10.331 8.746 3.198 842 HA THR 113 HA THR 113 -11.580 6.403 4.448 843 HB THR 113 HB THR 113 -13.782 7.910 4.388 844 HG1 THR 113 HG1 THR 113 -12.655 9.772 3.640 845 1HG2 THR 113 1HG2 THR 113 -13.640 8.318 6.708 846 2HG2 THR 113 2HG2 THR 113 -12.814 6.786 6.406 847 3HG2 THR 113 3HG2 THR 113 -11.873 8.263 6.715 848 H ARG 114 H ARG 114 -13.877 6.527 3.195 849 HA ARG 114 HA ARG 114 -13.566 7.248 0.400 850 1HB ARG 114 1HB ARG 114 -14.778 5.266 -0.343 851 2HB ARG 114 2HB ARG 114 -13.233 4.862 0.439 852 1HG ARG 114 1HG ARG 114 -14.700 3.209 1.268 853 2HG ARG 114 2HG ARG 114 -14.635 4.366 2.580 854 1HD ARG 114 1HD ARG 114 -16.817 5.361 1.535 855 2HD ARG 114 2HD ARG 114 -16.833 3.936 0.524 856 HE ARG 114 HE ARG 114 -17.675 2.758 2.280 857 1HH1 ARG 114 2HH2 ARG 114 -16.437 5.825 3.627 858 2HH1 ARG 114 1HH2 ARG 114 -16.718 5.360 5.266 859 1HH2 ARG 114 2HH1 ARG 114 -18.320 2.310 4.269 860 2HH2 ARG 114 1HH1 ARG 114 -18.167 3.379 5.626 861 H GLU 115 H GLU 115 -15.570 8.020 -0.390 862 HA GLU 115 HA GLU 115 -17.654 8.456 1.707 863 1HB GLU 115 1HB GLU 115 -16.442 10.478 0.891 864 2HB GLU 115 2HB GLU 115 -16.990 10.115 -0.748 865 1HG GLU 115 1HG GLU 115 -19.368 10.261 0.098 866 2HG GLU 115 2HG GLU 115 -18.738 10.693 1.697 867 H GLY 116 H GLY 116 -18.513 6.418 1.317 868 1HA GLY 116 1HA GLY 116 -20.490 5.960 -0.577 869 2HA GLY 116 2HA GLY 116 -19.003 5.274 -1.265 Start of MODEL 18 1 1H MET 1 H1 MET 1 13.302 -1.843 12.212 2 HA MET 1 HA MET 1 12.728 -4.170 10.537 3 1HB MET 1 1HB MET 1 11.360 -5.261 12.091 4 2HB MET 1 2HB MET 1 12.951 -5.072 12.804 5 1HG MET 1 1HG MET 1 12.059 -3.188 14.202 6 2HG MET 1 2HG MET 1 10.477 -3.394 13.446 7 1HE MET 1 1HE MET 1 11.380 -3.548 16.664 8 2HE MET 1 2HE MET 1 11.561 -5.208 17.269 9 3HE MET 1 3HE MET 1 12.830 -4.500 16.257 10 H ALA 2 H ALA 2 10.842 -4.093 9.506 11 HA ALA 2 HA ALA 2 8.415 -3.547 10.157 12 1HB ALA 2 1HB ALA 2 8.178 -1.275 10.497 13 2HB ALA 2 2HB ALA 2 9.616 -0.867 9.518 14 3HB ALA 2 3HB ALA 2 8.120 -1.254 8.720 15 H ARG 3 H ARG 3 6.981 -4.023 8.434 16 HA ARG 3 HA ARG 3 8.242 -3.969 5.723 17 1HB ARG 3 1HB ARG 3 6.207 -5.786 6.995 18 2HB ARG 3 2HB ARG 3 6.241 -5.536 5.242 19 1HG ARG 3 1HG ARG 3 8.288 -6.514 4.969 20 2HG ARG 3 2HG ARG 3 8.904 -5.994 6.535 21 1HD ARG 3 1HD ARG 3 7.072 -8.350 6.055 22 2HD ARG 3 2HD ARG 3 8.780 -8.371 6.427 23 HE ARG 3 HE ARG 3 6.569 -7.799 8.266 24 1HH1 ARG 3 2HH2 ARG 3 10.187 -7.801 7.861 25 2HH1 ARG 3 1HH2 ARG 3 10.426 -7.966 9.549 26 1HH2 ARG 3 2HH1 ARG 3 7.107 -7.840 10.604 27 2HH2 ARG 3 1HH1 ARG 3 8.794 -7.759 11.016 28 H VAL 4 H VAL 4 7.534 -2.588 4.347 29 HA VAL 4 HA VAL 4 5.075 -0.990 4.847 30 HB VAL 4 HB VAL 4 7.592 -0.101 4.673 31 1HG1 VAL 4 1HG1 VAL 4 8.509 0.256 2.565 32 2HG1 VAL 4 2HG1 VAL 4 7.871 -1.410 2.565 33 3HG1 VAL 4 3HG1 VAL 4 6.976 -0.140 1.731 34 1HG2 VAL 4 1HG2 VAL 4 5.199 1.249 3.455 35 2HG2 VAL 4 2HG2 VAL 4 6.352 1.800 4.732 36 3HG2 VAL 4 3HG2 VAL 4 6.804 1.897 3.072 37 H ALA 5 H ALA 5 3.482 -0.958 2.995 38 HA ALA 5 HA ALA 5 4.262 -2.920 0.864 39 1HB ALA 5 1HB ALA 5 1.890 -3.454 0.624 40 2HB ALA 5 2HB ALA 5 2.513 -3.881 2.221 41 3HB ALA 5 3HB ALA 5 1.502 -2.422 2.025 42 H ILE 6 H ILE 6 3.807 -2.229 -1.274 43 HA ILE 6 HA ILE 6 2.805 0.537 -1.583 44 HB ILE 6 HB ILE 6 5.059 -0.635 -3.181 45 1HG1 ILE 6 1HG1 ILE 6 6.277 1.348 -1.911 46 2HG1 ILE 6 2HG1 ILE 6 5.120 0.973 -0.646 47 1HG2 ILE 6 1HG2 ILE 6 5.328 1.624 -4.003 48 2HG2 ILE 6 2HG2 ILE 6 3.696 1.055 -4.334 49 3HG2 ILE 6 3HG2 ILE 6 3.976 2.189 -2.991 50 1HD1 ILE 6 1HD1 ILE 6 6.018 -1.298 -0.447 51 2HD1 ILE 6 2HD1 ILE 6 6.980 -1.090 -1.929 52 3HD1 ILE 6 3HD1 ILE 6 7.371 -0.184 -0.465 53 HA PRO 7 HA PRO 7 -0.041 -1.834 -4.210 54 1HB PRO 7 1HB PRO 7 -1.699 0.258 -4.822 55 2HB PRO 7 2HB PRO 7 -1.594 -0.411 -3.173 56 1HG PRO 7 1HG PRO 7 -0.353 2.112 -4.234 57 2HG PRO 7 2HG PRO 7 -1.030 1.814 -2.606 58 1HD PRO 7 1HD PRO 7 1.546 1.662 -3.306 59 2HD PRO 7 2HD PRO 7 0.797 0.939 -1.815 60 H SER 8 H SER 8 1.077 -2.492 -6.004 61 HA SER 8 HA SER 8 2.191 -0.470 -7.880 62 1HB SER 8 1HB SER 8 3.956 -1.854 -7.204 63 2HB SER 8 2HB SER 8 2.882 -3.255 -6.942 64 HG SER 8 HG SER 8 3.855 -3.852 -8.732 65 H VAL 9 H VAL 9 1.967 -0.971 -10.219 66 HA VAL 9 HA VAL 9 -0.195 -2.925 -10.820 67 HB VAL 9 HB VAL 9 -0.943 -1.602 -12.657 68 1HG1 VAL 9 1HG1 VAL 9 -2.037 0.156 -11.534 69 2HG1 VAL 9 2HG1 VAL 9 -1.775 -1.084 -10.299 70 3HG1 VAL 9 3HG1 VAL 9 -0.728 0.368 -10.359 71 1HG2 VAL 9 1HG2 VAL 9 0.124 0.086 -13.688 72 2HG2 VAL 9 2HG2 VAL 9 0.448 0.951 -12.183 73 3HG2 VAL 9 3HG2 VAL 9 1.556 -0.305 -12.723 74 H GLY 10 H GLY 10 2.589 -3.595 -10.576 75 1HA GLY 10 1HA GLY 10 2.763 -5.188 -12.922 76 2HA GLY 10 2HA GLY 10 3.977 -3.905 -12.970 77 H LYS 11 H LYS 11 5.258 -6.139 -12.873 78 HA LYS 11 HA LYS 11 5.559 -7.081 -10.052 79 1HB LYS 11 1HB LYS 11 5.892 -8.492 -12.734 80 2HB LYS 11 2HB LYS 11 6.385 -9.187 -11.162 81 1HG LYS 11 1HG LYS 11 4.117 -9.077 -10.399 82 2HG LYS 11 2HG LYS 11 3.628 -8.342 -11.947 83 1HD LYS 11 1HD LYS 11 5.097 -10.958 -12.065 84 2HD LYS 11 2HD LYS 11 3.455 -11.002 -11.427 85 1HE LYS 11 1HE LYS 11 2.765 -9.633 -13.505 86 2HE LYS 11 2HE LYS 11 4.369 -10.015 -14.156 87 1HZ LYS 11 1HZ LYS 11 2.843 -11.639 -14.922 88 2HZ LYS 11 2HZ LYS 11 3.744 -12.399 -13.750 89 3HZ LYS 11 3HZ LYS 11 2.212 -11.920 -13.464 90 H ASP 12 H ASP 12 6.828 -4.669 -10.718 91 HA ASP 12 HA ASP 12 9.688 -5.403 -10.759 92 1HB ASP 12 1HB ASP 12 8.337 -3.485 -12.650 93 2HB ASP 12 2HB ASP 12 10.059 -3.440 -12.327 94 H LEU 13 H LEU 13 10.889 -4.031 -9.595 95 HA LEU 13 HA LEU 13 9.810 -2.122 -7.805 96 1HB LEU 13 1HB LEU 13 12.001 -3.585 -7.956 97 2HB LEU 13 2HB LEU 13 12.717 -2.147 -8.630 98 HG LEU 13 HG LEU 13 13.260 -2.412 -6.290 99 1HD1 LEU 13 1HD1 LEU 13 11.295 -0.107 -6.349 100 2HD1 LEU 13 2HD1 LEU 13 12.773 -0.274 -5.382 101 3HD1 LEU 13 3HD1 LEU 13 12.883 -0.088 -7.143 102 1HD2 LEU 13 1HD2 LEU 13 11.316 -3.738 -5.577 103 2HD2 LEU 13 2HD2 LEU 13 11.738 -2.417 -4.466 104 3HD2 LEU 13 3HD2 LEU 13 10.343 -2.257 -5.559 105 H SER 14 H SER 14 10.028 -1.675 -11.062 106 HA SER 14 HA SER 14 9.924 1.271 -10.628 107 1HB SER 14 1HB SER 14 12.120 0.412 -11.746 108 2HB SER 14 2HB SER 14 11.023 -0.028 -13.075 109 HG SER 14 HG SER 14 11.722 2.550 -12.061 110 H SER 15 H SER 15 7.868 -0.892 -10.585 111 HA SER 15 HA SER 15 6.446 -0.348 -13.088 112 1HB SER 15 1HB SER 15 4.692 -1.699 -12.229 113 2HB SER 15 2HB SER 15 6.186 -2.391 -11.504 114 HG SER 15 HG SER 15 4.519 -2.115 -9.929 115 H MET 16 H MET 16 4.262 0.927 -13.001 116 HA MET 16 HA MET 16 4.533 3.388 -11.508 117 1HB MET 16 1HB MET 16 2.632 2.121 -13.468 118 2HB MET 16 2HB MET 16 1.972 3.376 -12.439 119 1HG MET 16 1HG MET 16 4.541 4.260 -13.477 120 2HG MET 16 2HG MET 16 3.513 3.707 -14.788 121 1HE MET 16 1HE MET 16 1.985 5.275 -11.422 122 2HE MET 16 2HE MET 16 3.636 5.936 -11.579 123 3HE MET 16 3HE MET 16 2.222 6.998 -11.765 124 H VAL 17 H VAL 17 3.710 3.956 -9.509 125 HA VAL 17 HA VAL 17 2.310 1.981 -7.887 126 HB VAL 17 HB VAL 17 3.224 4.830 -7.306 127 1HG1 VAL 17 1HG1 VAL 17 1.350 4.336 -5.754 128 2HG1 VAL 17 2HG1 VAL 17 2.132 2.798 -5.323 129 3HG1 VAL 17 3HG1 VAL 17 2.936 4.345 -4.948 130 1HG2 VAL 17 1HG2 VAL 17 4.952 3.791 -6.043 131 2HG2 VAL 17 2HG2 VAL 17 4.246 2.171 -6.303 132 3HG2 VAL 17 3HG2 VAL 17 4.902 3.073 -7.656 133 H SER 18 H SER 18 0.283 2.084 -7.089 134 HA SER 18 HA SER 18 -1.688 3.068 -9.011 135 1HB SER 18 1HB SER 18 -1.297 0.628 -8.209 136 2HB SER 18 2HB SER 18 -1.999 1.134 -6.686 137 HG SER 18 HG SER 18 -3.789 0.554 -7.720 138 H ASP 19 H ASP 19 -3.231 4.580 -8.565 139 HA ASP 19 HA ASP 19 -2.829 6.114 -6.185 140 1HB ASP 19 1HB ASP 19 -4.741 6.423 -8.541 141 2HB ASP 19 2HB ASP 19 -4.674 7.557 -7.199 142 H ARG 20 H ARG 20 -3.762 3.582 -5.459 143 HA ARG 20 HA ARG 20 -6.316 3.830 -4.080 144 1HB ARG 20 1HB ARG 20 -7.239 1.895 -5.678 145 2HB ARG 20 2HB ARG 20 -7.574 3.608 -5.973 146 1HG ARG 20 1HG ARG 20 -5.721 3.587 -7.712 147 2HG ARG 20 2HG ARG 20 -5.496 1.897 -7.365 148 1HD ARG 20 1HD ARG 20 -6.807 1.814 -9.243 149 2HD ARG 20 2HD ARG 20 -8.072 1.719 -8.006 150 HE ARG 20 HE ARG 20 -7.999 4.350 -8.317 151 1HH1 ARG 20 2HH2 ARG 20 -7.928 1.928 -10.958 152 2HH1 ARG 20 1HH2 ARG 20 -8.588 3.037 -12.103 153 1HH2 ARG 20 2HH1 ARG 20 -8.459 5.845 -10.040 154 2HH2 ARG 20 1HH1 ARG 20 -8.830 5.257 -11.598 155 H PHE 21 H PHE 21 -5.177 2.821 -2.215 156 HA PHE 21 HA PHE 21 -3.538 0.585 -2.561 157 1HB PHE 21 1HB PHE 21 -3.479 1.860 -0.532 158 2HB PHE 21 2HB PHE 21 -5.177 1.709 -0.266 159 HD1 PHE 21 HD1 PHE 21 -5.681 0.377 1.620 160 HD2 PHE 21 HD2 PHE 21 -2.354 -0.704 -0.922 161 HE1 PHE 21 HE1 PHE 21 -5.224 -1.610 3.029 162 HE2 PHE 21 HE2 PHE 21 -1.949 -2.688 0.419 163 HZ PHE 21 HZ PHE 21 -3.317 -3.106 2.510 164 H ALA 22 H ALA 22 -7.054 0.604 -1.756 165 HA ALA 22 HA ALA 22 -7.035 -2.300 -1.706 166 1HB ALA 22 1HB ALA 22 -9.535 -0.601 -1.575 167 2HB ALA 22 2HB ALA 22 -9.256 -2.229 -0.988 168 3HB ALA 22 3HB ALA 22 -8.451 -0.878 -0.192 169 H ARG 23 H ARG 23 -6.815 -0.399 -4.449 170 HA ARG 23 HA ARG 23 -7.740 -2.677 -5.989 171 1HB ARG 23 1HB ARG 23 -8.569 0.179 -6.208 172 2HB ARG 23 2HB ARG 23 -8.039 -0.619 -7.669 173 1HG ARG 23 1HG ARG 23 -10.128 -1.737 -5.754 174 2HG ARG 23 2HG ARG 23 -10.508 -0.755 -7.134 175 1HD ARG 23 1HD ARG 23 -9.048 -3.371 -7.550 176 2HD ARG 23 2HD ARG 23 -10.802 -3.195 -7.594 177 HE ARG 23 HE ARG 23 -10.697 -1.773 -9.461 178 1HH1 ARG 23 2HH2 ARG 23 -7.574 -3.535 -9.058 179 2HH1 ARG 23 1HH2 ARG 23 -6.826 -2.586 -10.309 180 1HH2 ARG 23 2HH1 ARG 23 -9.620 -0.878 -11.409 181 2HH2 ARG 23 1HH1 ARG 23 -7.968 -1.334 -11.625 182 H ALA 24 H ALA 24 -5.340 -2.998 -5.388 183 HA ALA 24 HA ALA 24 -3.791 -1.575 -7.472 184 1HB ALA 24 1HB ALA 24 -2.305 -3.215 -5.402 185 2HB ALA 24 2HB ALA 24 -1.765 -1.771 -6.275 186 3HB ALA 24 3HB ALA 24 -2.850 -1.612 -4.901 187 H GLU 25 H GLU 25 -2.075 -3.448 -8.210 188 HA GLU 25 HA GLU 25 -3.784 -5.860 -8.804 189 1HB GLU 25 1HB GLU 25 -1.914 -4.167 -10.456 190 2HB GLU 25 2HB GLU 25 -2.272 -5.865 -10.910 191 1HG GLU 25 1HG GLU 25 -4.761 -5.078 -10.691 192 2HG GLU 25 2HG GLU 25 -4.104 -3.452 -10.814 193 H TYR 26 H TYR 26 -0.774 -4.573 -7.557 194 HA TYR 26 HA TYR 26 0.192 -7.204 -6.842 195 1HB TYR 26 1HB TYR 26 1.706 -4.966 -8.276 196 2HB TYR 26 2HB TYR 26 2.462 -6.434 -7.629 197 HD1 TYR 26 HD1 TYR 26 2.138 -8.602 -8.816 198 HD2 TYR 26 HD2 TYR 26 0.389 -4.953 -10.258 199 HE1 TYR 26 HE1 TYR 26 1.814 -9.624 -11.044 200 HE2 TYR 26 HE2 TYR 26 -0.007 -5.985 -12.469 201 HH TYR 26 HH TYR 26 -0.071 -8.005 -13.635 202 H PHE 27 H PHE 27 1.687 -6.881 -4.998 203 HA PHE 27 HA PHE 27 1.620 -4.187 -3.765 204 1HB PHE 27 1HB PHE 27 0.836 -6.745 -2.346 205 2HB PHE 27 2HB PHE 27 1.240 -5.230 -1.549 206 HD1 PHE 27 HD1 PHE 27 -1.456 -7.163 -2.894 207 HD2 PHE 27 HD2 PHE 27 -0.070 -3.137 -2.377 208 HE1 PHE 27 HE1 PHE 27 -3.766 -6.315 -3.236 209 HE2 PHE 27 HE2 PHE 27 -2.390 -2.300 -2.614 210 HZ PHE 27 HZ PHE 27 -4.232 -3.889 -3.155 211 H ILE 28 H ILE 28 3.662 -3.627 -3.678 212 HA ILE 28 HA ILE 28 5.792 -5.694 -3.537 213 HB ILE 28 HB ILE 28 6.135 -2.704 -3.819 214 1HG1 ILE 28 1HG1 ILE 28 4.760 -3.211 -5.664 215 2HG1 ILE 28 2HG1 ILE 28 6.404 -3.135 -6.261 216 1HG2 ILE 28 1HG2 ILE 28 8.288 -3.602 -4.936 217 2HG2 ILE 28 2HG2 ILE 28 8.116 -3.811 -3.188 218 3HG2 ILE 28 3HG2 ILE 28 7.839 -5.177 -4.307 219 1HD1 ILE 28 1HD1 ILE 28 6.522 -5.595 -6.319 220 2HD1 ILE 28 2HD1 ILE 28 4.829 -5.704 -5.785 221 3HD1 ILE 28 3HD1 ILE 28 5.226 -4.958 -7.344 222 H ILE 29 H ILE 29 6.716 -6.162 -1.662 223 HA ILE 29 HA ILE 29 6.041 -4.419 0.665 224 HB ILE 29 HB ILE 29 6.310 -7.430 0.717 225 1HG1 ILE 29 1HG1 ILE 29 3.779 -5.708 0.698 226 2HG1 ILE 29 2HG1 ILE 29 4.366 -6.695 -0.638 227 1HG2 ILE 29 1HG2 ILE 29 5.388 -7.208 2.973 228 2HG2 ILE 29 2HG2 ILE 29 6.795 -6.164 2.842 229 3HG2 ILE 29 3HG2 ILE 29 5.196 -5.442 2.722 230 1HD1 ILE 29 1HD1 ILE 29 3.287 -7.640 2.007 231 2HD1 ILE 29 2HD1 ILE 29 2.731 -8.003 0.360 232 3HD1 ILE 29 3HD1 ILE 29 4.245 -8.709 0.942 233 H TYR 30 H TYR 30 7.729 -3.413 1.163 234 HA TYR 30 HA TYR 30 10.507 -4.485 0.740 235 1HB TYR 30 1HB TYR 30 9.700 -2.089 0.055 236 2HB TYR 30 2HB TYR 30 9.633 -1.721 1.769 237 HD1 TYR 30 HD1 TYR 30 11.514 -0.947 2.917 238 HD2 TYR 30 HD2 TYR 30 11.980 -2.987 -0.840 239 HE1 TYR 30 HE1 TYR 30 13.966 -0.658 3.081 240 HE2 TYR 30 HE2 TYR 30 14.483 -2.847 -0.569 241 HH TYR 30 HH TYR 30 16.165 -1.839 0.517 242 H ASP 31 H ASP 31 11.337 -5.587 2.331 243 HA ASP 31 HA ASP 31 10.454 -5.549 5.076 244 1HB ASP 31 1HB ASP 31 11.383 -7.460 3.320 245 2HB ASP 31 2HB ASP 31 12.826 -7.155 4.207 246 H THR 32 H THR 32 11.287 -3.744 6.357 247 HA THR 32 HA THR 32 14.085 -2.922 5.847 248 HB THR 32 HB THR 32 13.761 -1.209 7.526 249 HG1 THR 32 HG1 THR 32 11.097 -2.173 7.615 250 1HG2 THR 32 1HG2 THR 32 12.307 0.184 6.168 251 2HG2 THR 32 2HG2 THR 32 13.319 -0.823 5.140 252 3HG2 THR 32 3HG2 THR 32 11.605 -1.245 5.370 253 H GLU 33 H GLU 33 14.412 -5.336 6.309 254 HA GLU 33 HA GLU 33 15.768 -5.601 8.865 255 1HB GLU 33 1HB GLU 33 13.369 -7.301 8.104 256 2HB GLU 33 2HB GLU 33 14.740 -8.098 8.862 257 1HG GLU 33 1HG GLU 33 14.304 -5.831 10.480 258 2HG GLU 33 2HG GLU 33 12.691 -6.422 10.095 259 H SER 34 H SER 34 15.275 -6.736 5.510 260 HA SER 34 HA SER 34 18.182 -6.793 5.741 261 1HB SER 34 1HB SER 34 16.963 -9.212 6.047 262 2HB SER 34 2HB SER 34 16.979 -9.189 4.301 263 HG SER 34 HG SER 34 19.297 -8.816 5.943 264 H GLY 35 H GLY 35 16.118 -5.142 4.249 265 1HA GLY 35 1HA GLY 35 16.015 -4.029 2.281 266 2HA GLY 35 2HA GLY 35 17.488 -4.680 1.728 267 H ASN 36 H ASN 36 15.300 -7.186 2.618 268 HA ASN 36 HA ASN 36 14.972 -8.081 -0.072 269 1HB ASN 36 1HB ASN 36 13.611 -8.923 2.538 270 2HB ASN 36 2HB ASN 36 13.294 -9.689 0.982 271 1HD2 ASN 36 1HD2 ASN 36 14.107 -11.705 2.333 272 2HD2 ASN 36 2HD2 ASN 36 15.860 -11.892 2.234 273 H VAL 37 H VAL 37 12.990 -8.305 -1.209 274 HA VAL 37 HA VAL 37 10.742 -6.696 -0.325 275 HB VAL 37 HB VAL 37 11.370 -6.927 -3.255 276 1HG1 VAL 37 1HG1 VAL 37 10.082 -4.750 -1.544 277 2HG1 VAL 37 2HG1 VAL 37 10.244 -4.730 -3.306 278 3HG1 VAL 37 3HG1 VAL 37 9.191 -5.928 -2.543 279 1HG2 VAL 37 1HG2 VAL 37 12.516 -4.677 -3.139 280 2HG2 VAL 37 2HG2 VAL 37 12.709 -4.949 -1.388 281 3HG2 VAL 37 3HG2 VAL 37 13.462 -6.042 -2.544 282 H GLU 38 H GLU 38 8.724 -7.472 -1.744 283 HA GLU 38 HA GLU 38 8.781 -10.236 -2.655 284 1HB GLU 38 1HB GLU 38 8.112 -10.565 -0.312 285 2HB GLU 38 2HB GLU 38 7.097 -9.147 -0.365 286 1HG GLU 38 1HG GLU 38 5.688 -11.062 -0.354 287 2HG GLU 38 2HG GLU 38 5.514 -10.237 -1.891 288 H VAL 39 H VAL 39 7.340 -10.318 -4.404 289 HA VAL 39 HA VAL 39 5.576 -7.975 -4.915 290 HB VAL 39 HB VAL 39 6.310 -10.157 -6.912 291 1HG1 VAL 39 1HG1 VAL 39 4.113 -9.061 -7.277 292 2HG1 VAL 39 2HG1 VAL 39 4.904 -7.483 -7.317 293 3HG1 VAL 39 3HG1 VAL 39 5.281 -8.700 -8.547 294 1HG2 VAL 39 1HG2 VAL 39 8.346 -9.026 -6.665 295 2HG2 VAL 39 2HG2 VAL 39 7.609 -8.369 -8.122 296 3HG2 VAL 39 3HG2 VAL 39 7.589 -7.438 -6.605 297 H VAL 40 H VAL 40 3.805 -8.468 -3.726 298 HA VAL 40 HA VAL 40 2.541 -11.144 -3.861 299 HB VAL 40 HB VAL 40 2.012 -8.496 -2.521 300 1HG1 VAL 40 1HG1 VAL 40 -0.173 -8.946 -3.515 301 2HG1 VAL 40 2HG1 VAL 40 -0.136 -10.605 -2.869 302 3HG1 VAL 40 3HG1 VAL 40 -0.221 -9.212 -1.767 303 1HG2 VAL 40 1HG2 VAL 40 1.708 -9.946 -0.539 304 2HG2 VAL 40 2HG2 VAL 40 1.987 -11.381 -1.555 305 3HG2 VAL 40 3HG2 VAL 40 3.282 -10.186 -1.310 306 H GLU 41 H GLU 41 0.761 -11.508 -5.195 307 HA GLU 41 HA GLU 41 0.101 -9.523 -7.318 308 1HB GLU 41 1HB GLU 41 1.072 -11.722 -8.032 309 2HB GLU 41 2HB GLU 41 -0.193 -12.543 -7.111 310 1HG GLU 41 1HG GLU 41 -1.911 -11.541 -8.630 311 2HG GLU 41 2HG GLU 41 -0.604 -10.798 -9.571 312 H ASN 42 H ASN 42 -2.229 -8.963 -7.384 313 HA ASN 42 HA ASN 42 -4.016 -10.503 -5.656 314 1HB ASN 42 1HB ASN 42 -2.712 -8.412 -4.442 315 2HB ASN 42 2HB ASN 42 -4.121 -7.579 -5.053 316 1HD2 ASN 42 1HD2 ASN 42 -6.015 -10.085 -4.610 317 2HD2 ASN 42 2HD2 ASN 42 -6.004 -10.220 -2.890 318 H THR 43 H THR 43 -5.965 -10.606 -6.604 319 HA THR 43 HA THR 43 -6.245 -9.030 -9.058 320 HB THR 43 HB THR 43 -7.281 -11.132 -9.842 321 HG1 THR 43 HG1 THR 43 -7.544 -12.823 -8.557 322 1HG2 THR 43 1HG2 THR 43 -4.740 -10.829 -9.872 323 2HG2 THR 43 2HG2 THR 43 -4.665 -11.772 -8.380 324 3HG2 THR 43 3HG2 THR 43 -5.288 -12.517 -9.859 325 H ILE 44 H ILE 44 -7.375 -7.551 -6.914 326 HA ILE 44 HA ILE 44 -9.942 -8.580 -6.231 327 HB ILE 44 HB ILE 44 -10.008 -6.501 -4.872 328 1HG1 ILE 44 1HG1 ILE 44 -8.173 -5.464 -6.376 329 2HG1 ILE 44 2HG1 ILE 44 -8.418 -4.984 -4.723 330 1HG2 ILE 44 1HG2 ILE 44 -8.285 -7.195 -3.331 331 2HG2 ILE 44 2HG2 ILE 44 -9.294 -8.580 -3.884 332 3HG2 ILE 44 3HG2 ILE 44 -7.667 -8.292 -4.585 333 1HD1 ILE 44 1HD1 ILE 44 -6.367 -6.330 -4.112 334 2HD1 ILE 44 2HD1 ILE 44 -6.180 -6.721 -5.844 335 3HD1 ILE 44 3HD1 ILE 44 -6.049 -5.048 -5.268 336 H ALA 45 H ALA 45 -10.143 -8.283 -8.929 337 HA ALA 45 HA ALA 45 -12.252 -6.226 -9.268 338 1HB ALA 45 1HB ALA 45 -11.381 -8.573 -11.021 339 2HB ALA 45 2HB ALA 45 -12.655 -7.405 -11.412 340 3HB ALA 45 3HB ALA 45 -10.966 -6.870 -11.284 341 H ASP 46 H ASP 46 -13.714 -6.709 -7.629 342 HA ASP 46 HA ASP 46 -15.619 -8.640 -8.280 343 1HB ASP 46 1HB ASP 46 -14.145 -10.156 -6.859 344 2HB ASP 46 2HB ASP 46 -14.408 -9.051 -5.502 345 H ALA 47 H ALA 47 -17.439 -8.315 -6.233 346 HA ALA 47 HA ALA 47 -16.985 -5.725 -4.898 347 1HB ALA 47 1HB ALA 47 -18.288 -5.167 -6.942 348 2HB ALA 47 2HB ALA 47 -19.579 -6.248 -6.365 349 3HB ALA 47 3HB ALA 47 -19.145 -4.825 -5.429 350 H HIS 48 H HIS 48 -16.463 -7.500 -3.329 351 HA HIS 48 HA HIS 48 -18.831 -7.886 -1.602 352 1HB HIS 48 1HB HIS 48 -16.927 -10.068 -2.454 353 2HB HIS 48 2HB HIS 48 -17.558 -10.048 -0.811 354 HD1 HIS 48 HD1 HIS 48 -19.895 -11.165 -0.433 355 HD2 HIS 48 HD2 HIS 48 -19.102 -9.965 -4.417 356 HE1 HIS 48 HE1 HIS 48 -21.864 -11.900 -1.804 357 H GLY 49 H GLY 49 -18.288 -6.238 -0.272 358 1HA GLY 49 1HA GLY 49 -15.637 -5.876 0.897 359 2HA GLY 49 2HA GLY 49 -17.148 -5.052 1.318 360 H THR 50 H THR 50 -16.410 -8.566 1.216 361 HA THR 50 HA THR 50 -17.180 -8.768 4.083 362 HB THR 50 HB THR 50 -17.568 -10.929 2.003 363 HG1 THR 50 HG1 THR 50 -19.646 -10.243 1.818 364 1HG2 THR 50 1HG2 THR 50 -18.915 -10.372 4.694 365 2HG2 THR 50 2HG2 THR 50 -19.196 -11.774 3.655 366 3HG2 THR 50 3HG2 THR 50 -17.631 -11.567 4.438 367 H GLY 51 H GLY 51 -14.845 -8.160 4.220 368 1HA GLY 51 1HA GLY 51 -13.085 -9.211 5.420 369 2HA GLY 51 2HA GLY 51 -13.109 -10.587 4.304 370 HA PRO 52 HA PRO 52 -10.623 -6.568 3.011 371 1HB PRO 52 1HB PRO 52 -8.144 -7.031 3.852 372 2HB PRO 52 2HB PRO 52 -9.405 -6.209 4.842 373 1HG PRO 52 1HG PRO 52 -8.510 -9.114 4.916 374 2HG PRO 52 2HG PRO 52 -8.757 -8.037 6.302 375 1HD PRO 52 1HD PRO 52 -10.721 -9.730 5.589 376 2HD PRO 52 2HD PRO 52 -11.117 -8.053 6.059 377 H LYS 53 H LYS 53 -9.661 -10.026 2.921 378 HA LYS 53 HA LYS 53 -8.476 -11.312 1.563 379 1HB LYS 53 1HB LYS 53 -9.390 -9.366 -0.595 380 2HB LYS 53 2HB LYS 53 -8.591 -10.906 -0.895 381 1HG LYS 53 1HG LYS 53 -10.347 -12.164 -0.024 382 2HG LYS 53 2HG LYS 53 -11.123 -10.810 0.803 383 1HD LYS 53 1HD LYS 53 -10.872 -10.961 -2.216 384 2HD LYS 53 2HD LYS 53 -12.188 -11.736 -1.345 385 1HE LYS 53 1HE LYS 53 -11.653 -8.747 -1.238 386 2HE LYS 53 2HE LYS 53 -12.803 -9.555 -2.317 387 1HZ LYS 53 1HZ LYS 53 -14.093 -8.917 -0.529 388 2HZ LYS 53 2HZ LYS 53 -13.740 -10.484 -0.142 389 3HZ LYS 53 3HZ LYS 53 -12.946 -9.268 0.602 390 H VAL 54 H VAL 54 -7.613 -8.095 0.216 391 HA VAL 54 HA VAL 54 -4.857 -8.678 -0.143 392 HB VAL 54 HB VAL 54 -5.568 -6.974 -1.446 393 1HG1 VAL 54 1HG1 VAL 54 -7.073 -5.586 0.762 394 2HG1 VAL 54 2HG1 VAL 54 -6.835 -4.996 -0.891 395 3HG1 VAL 54 3HG1 VAL 54 -7.733 -6.459 -0.647 396 1HG2 VAL 54 1HG2 VAL 54 -4.402 -5.368 0.837 397 2HG2 VAL 54 2HG2 VAL 54 -3.466 -6.383 -0.295 398 3HG2 VAL 54 3HG2 VAL 54 -4.385 -4.989 -0.874 399 H VAL 55 H VAL 55 -6.318 -6.539 2.335 400 HA VAL 55 HA VAL 55 -4.028 -6.264 4.015 401 HB VAL 55 HB VAL 55 -6.782 -6.199 5.175 402 1HG1 VAL 55 1HG1 VAL 55 -6.012 -4.177 6.205 403 2HG1 VAL 55 2HG1 VAL 55 -4.934 -5.526 6.549 404 3HG1 VAL 55 3HG1 VAL 55 -4.464 -4.290 5.349 405 1HG2 VAL 55 1HG2 VAL 55 -7.094 -3.887 4.174 406 2HG2 VAL 55 2HG2 VAL 55 -5.749 -4.239 3.058 407 3HG2 VAL 55 3HG2 VAL 55 -7.248 -5.158 2.960 408 H GLN 56 H GLN 56 -6.548 -8.865 4.237 409 HA GLN 56 HA GLN 56 -5.411 -10.041 6.483 410 1HB GLN 56 1HB GLN 56 -7.091 -11.009 4.227 411 2HB GLN 56 2HB GLN 56 -6.230 -12.255 5.127 412 1HG GLN 56 1HG GLN 56 -7.683 -10.153 6.726 413 2HG GLN 56 2HG GLN 56 -8.630 -11.404 5.917 414 1HE2 GLN 56 1HE2 GLN 56 -8.591 -13.497 6.733 415 2HE2 GLN 56 2HE2 GLN 56 -7.707 -13.956 8.190 416 H SER 57 H SER 57 -4.340 -10.351 3.058 417 HA SER 57 HA SER 57 -2.310 -12.304 3.632 418 1HB SER 57 1HB SER 57 -3.469 -11.849 1.388 419 2HB SER 57 2HB SER 57 -2.461 -10.395 1.257 420 HG SER 57 HG SER 57 -1.814 -12.623 0.353 421 H LEU 58 H LEU 58 -2.218 -8.755 2.974 422 HA LEU 58 HA LEU 58 0.587 -8.451 3.256 423 1HB LEU 58 1HB LEU 58 -1.665 -6.497 3.845 424 2HB LEU 58 2HB LEU 58 0.028 -6.046 3.669 425 HG LEU 58 HG LEU 58 -1.676 -7.293 1.461 426 1HD1 LEU 58 1HD1 LEU 58 -0.759 -4.420 1.860 427 2HD1 LEU 58 2HD1 LEU 58 -1.604 -5.059 0.421 428 3HD1 LEU 58 3HD1 LEU 58 -2.415 -5.038 1.992 429 1HD2 LEU 58 1HD2 LEU 58 1.138 -6.161 1.366 430 2HD2 LEU 58 2HD2 LEU 58 0.652 -7.865 1.165 431 3HD2 LEU 58 3HD2 LEU 58 0.156 -6.682 -0.027 432 H VAL 59 H VAL 59 -1.961 -8.133 5.717 433 HA VAL 59 HA VAL 59 -0.383 -7.585 7.995 434 HB VAL 59 HB VAL 59 -3.079 -8.774 7.350 435 1HG1 VAL 59 1HG1 VAL 59 -2.032 -8.464 10.195 436 2HG1 VAL 59 2HG1 VAL 59 -3.719 -8.794 9.726 437 3HG1 VAL 59 3HG1 VAL 59 -2.467 -9.991 9.389 438 1HG2 VAL 59 1HG2 VAL 59 -3.909 -6.760 8.489 439 2HG2 VAL 59 2HG2 VAL 59 -2.239 -6.276 8.850 440 3HG2 VAL 59 3HG2 VAL 59 -2.811 -6.367 7.161 441 H SER 60 H SER 60 -0.895 -10.677 6.237 442 HA SER 60 HA SER 60 0.070 -12.318 8.405 443 1HB SER 60 1HB SER 60 -0.076 -12.953 5.441 444 2HB SER 60 2HB SER 60 0.255 -14.078 6.747 445 HG SER 60 HG SER 60 -2.152 -12.651 6.232 446 H LYS 61 H LYS 61 1.470 -10.520 5.636 447 HA LYS 61 HA LYS 61 4.220 -11.519 6.173 448 1HB LYS 61 1HB LYS 61 3.196 -9.455 4.147 449 2HB LYS 61 2HB LYS 61 4.846 -10.031 4.308 450 1HG LYS 61 1HG LYS 61 4.209 -11.267 2.541 451 2HG LYS 61 2HG LYS 61 3.859 -12.394 3.871 452 1HD LYS 61 1HD LYS 61 1.570 -12.189 3.649 453 2HD LYS 61 2HD LYS 61 1.670 -10.614 2.845 454 1HE LYS 61 1HE LYS 61 0.910 -12.452 1.371 455 2HE LYS 61 2HE LYS 61 2.335 -11.585 0.770 456 1HZ LYS 61 1HZ LYS 61 2.366 -14.089 0.637 457 2HZ LYS 61 2HZ LYS 61 3.701 -13.385 1.306 458 3HZ LYS 61 3HZ LYS 61 2.594 -14.099 2.265 459 H GLY 62 H GLY 62 2.853 -10.211 8.288 460 1HA GLY 62 1HA GLY 62 2.988 -8.562 9.812 461 2HA GLY 62 2HA GLY 62 4.727 -8.771 9.510 462 H VAL 63 H VAL 63 2.542 -7.288 7.125 463 HA VAL 63 HA VAL 63 4.155 -4.962 6.813 464 HB VAL 63 HB VAL 63 1.378 -5.760 5.902 465 1HG1 VAL 63 1HG1 VAL 63 3.018 -3.349 5.012 466 2HG1 VAL 63 2HG1 VAL 63 1.509 -3.945 4.269 467 3HG1 VAL 63 3HG1 VAL 63 1.477 -3.299 5.903 468 1HG2 VAL 63 1HG2 VAL 63 4.061 -5.546 4.509 469 2HG2 VAL 63 2HG2 VAL 63 3.268 -7.061 4.943 470 3HG2 VAL 63 3HG2 VAL 63 2.540 -6.023 3.716 471 H GLU 64 H GLU 64 4.313 -3.274 8.148 472 HA GLU 64 HA GLU 64 1.971 -2.505 9.908 473 1HB GLU 64 1HB GLU 64 4.993 -2.477 10.303 474 2HB GLU 64 2HB GLU 64 3.916 -1.543 11.313 475 1HG GLU 64 1HG GLU 64 2.704 -3.910 11.639 476 2HG GLU 64 2HG GLU 64 4.323 -4.508 11.248 477 H TYR 65 H TYR 65 2.313 -1.430 7.116 478 HA TYR 65 HA TYR 65 2.634 1.309 7.463 479 1HB TYR 65 1HB TYR 65 5.033 -0.302 6.727 480 2HB TYR 65 2HB TYR 65 4.809 1.194 5.918 481 HD1 TYR 65 HD1 TYR 65 4.205 3.313 7.538 482 HD2 TYR 65 HD2 TYR 65 6.599 -0.101 8.245 483 HE1 TYR 65 HE1 TYR 65 5.269 4.508 9.455 484 HE2 TYR 65 HE2 TYR 65 7.665 1.020 10.279 485 HH TYR 65 HH TYR 65 7.371 2.783 11.759 486 H LEU 66 H LEU 66 2.790 2.275 5.222 487 HA LEU 66 HA LEU 66 2.384 0.631 2.884 488 1HB LEU 66 1HB LEU 66 0.236 0.305 3.940 489 2HB LEU 66 2HB LEU 66 0.147 2.003 4.333 490 HG LEU 66 HG LEU 66 -0.270 2.716 2.265 491 1HD1 LEU 66 1HD1 LEU 66 0.193 -0.121 1.357 492 2HD1 LEU 66 2HD1 LEU 66 -0.929 0.879 0.395 493 3HD1 LEU 66 3HD1 LEU 66 0.723 1.363 0.517 494 1HD2 LEU 66 1HD2 LEU 66 -2.003 0.238 2.732 495 2HD2 LEU 66 2HD2 LEU 66 -2.166 1.765 3.596 496 3HD2 LEU 66 3HD2 LEU 66 -2.495 1.709 1.861 497 H ILE 67 H ILE 67 2.384 1.960 1.015 498 HA ILE 67 HA ILE 67 2.424 4.914 1.352 499 HB ILE 67 HB ILE 67 4.012 3.036 -0.509 500 1HG1 ILE 67 1HG1 ILE 67 5.206 5.132 1.422 501 2HG1 ILE 67 2HG1 ILE 67 4.804 3.585 2.085 502 1HG2 ILE 67 1HG2 ILE 67 3.683 4.983 -1.815 503 2HG2 ILE 67 2HG2 ILE 67 3.785 6.079 -0.411 504 3HG2 ILE 67 3HG2 ILE 67 5.245 5.314 -1.032 505 1HD1 ILE 67 1HD1 ILE 67 6.296 2.367 0.745 506 2HD1 ILE 67 2HD1 ILE 67 6.720 3.800 -0.207 507 3HD1 ILE 67 3HD1 ILE 67 7.154 3.707 1.509 508 H ALA 68 H ALA 68 0.457 5.511 0.530 509 HA ALA 68 HA ALA 68 -0.378 4.563 -2.109 510 1HB ALA 68 1HB ALA 68 -2.046 3.923 0.370 511 2HB ALA 68 2HB ALA 68 -2.553 3.726 -1.327 512 3HB ALA 68 3HB ALA 68 -1.220 2.751 -0.664 513 H SER 69 H SER 69 -1.356 6.303 -3.036 514 HA SER 69 HA SER 69 -1.580 8.761 -1.648 515 1HB SER 69 1HB SER 69 -2.694 9.583 -3.710 516 2HB SER 69 2HB SER 69 -1.226 8.659 -4.071 517 HG SER 69 HG SER 69 -2.886 8.106 -5.388 518 H ASN 70 H ASN 70 -3.924 6.197 -1.991 519 HA ASN 70 HA ASN 70 -6.006 7.504 -0.519 520 1HB ASN 70 1HB ASN 70 -5.942 7.538 -3.543 521 2HB ASN 70 2HB ASN 70 -7.403 6.833 -2.872 522 1HD2 ASN 70 1HD2 ASN 70 -6.147 9.796 -3.896 523 2HD2 ASN 70 2HD2 ASN 70 -7.319 10.773 -3.034 524 H VAL 71 H VAL 71 -8.053 5.809 -0.974 525 HA VAL 71 HA VAL 71 -6.884 3.116 -1.273 526 HB VAL 71 HB VAL 71 -7.013 3.770 1.069 527 1HG1 VAL 71 1HG1 VAL 71 -10.027 3.703 0.740 528 2HG1 VAL 71 2HG1 VAL 71 -9.117 3.833 2.256 529 3HG1 VAL 71 3HG1 VAL 71 -9.036 5.145 1.079 530 1HG2 VAL 71 1HG2 VAL 71 -7.747 1.746 1.893 531 2HG2 VAL 71 2HG2 VAL 71 -8.910 1.493 0.565 532 3HG2 VAL 71 3HG2 VAL 71 -7.158 1.409 0.267 533 H GLY 72 H GLY 72 -8.559 1.540 -1.525 534 1HA GLY 72 1HA GLY 72 -10.101 2.145 -3.938 535 2HA GLY 72 2HA GLY 72 -9.842 0.592 -3.249 536 H ARG 73 H ARG 73 -10.891 2.082 -0.585 537 HA ARG 73 HA ARG 73 -12.766 3.367 -0.173 538 1HB ARG 73 1HB ARG 73 -15.037 2.755 -0.461 539 2HB ARG 73 2HB ARG 73 -14.125 3.054 -1.903 540 1HG ARG 73 1HG ARG 73 -14.178 0.288 -1.929 541 2HG ARG 73 2HG ARG 73 -15.616 0.625 -1.012 542 1HD ARG 73 1HD ARG 73 -15.999 0.410 -3.501 543 2HD ARG 73 2HD ARG 73 -16.619 1.903 -2.796 544 HE ARG 73 HE ARG 73 -14.288 2.826 -3.579 545 1HH1 ARG 73 2HH2 ARG 73 -16.174 0.609 -5.618 546 2HH1 ARG 73 1HH2 ARG 73 -15.125 0.865 -6.989 547 1HH2 ARG 73 2HH1 ARG 73 -13.227 3.348 -5.321 548 2HH2 ARG 73 1HH1 ARG 73 -13.503 2.630 -6.888 549 H ASN 74 H ASN 74 -12.964 -0.139 0.244 550 HA ASN 74 HA ASN 74 -13.316 0.107 3.162 551 1HB ASN 74 1HB ASN 74 -13.253 -2.345 3.094 552 2HB ASN 74 2HB ASN 74 -14.373 -1.738 1.892 553 1HD2 ASN 74 1HD2 ASN 74 -11.741 -3.900 2.354 554 2HD2 ASN 74 2HD2 ASN 74 -11.264 -3.983 0.642 555 H ALA 75 H ALA 75 -11.489 -1.979 3.842 556 HA ALA 75 HA ALA 75 -9.404 -2.634 4.243 557 1HB ALA 75 1HB ALA 75 -8.395 -0.750 2.102 558 2HB ALA 75 2HB ALA 75 -7.564 -2.130 2.795 559 3HB ALA 75 3HB ALA 75 -9.007 -2.404 1.793 560 H PHE 76 H PHE 76 -9.773 0.894 4.020 561 HA PHE 76 HA PHE 76 -7.528 1.727 5.485 562 1HB PHE 76 1HB PHE 76 -8.809 3.247 4.311 563 2HB PHE 76 2HB PHE 76 -10.315 2.804 5.096 564 HD1 PHE 76 HD1 PHE 76 -7.070 4.617 5.500 565 HD2 PHE 76 HD2 PHE 76 -11.012 3.927 7.133 566 HE1 PHE 76 HE1 PHE 76 -6.869 6.672 6.848 567 HE2 PHE 76 HE2 PHE 76 -10.792 5.935 8.513 568 HZ PHE 76 HZ PHE 76 -8.778 7.353 8.368 569 H GLU 77 H GLU 77 -10.704 0.697 6.737 570 HA GLU 77 HA GLU 77 -10.138 1.158 9.496 571 1HB GLU 77 1HB GLU 77 -12.050 -0.771 8.105 572 2HB GLU 77 2HB GLU 77 -12.083 -0.385 9.826 573 1HG GLU 77 1HG GLU 77 -12.571 1.603 7.561 574 2HG GLU 77 2HG GLU 77 -13.807 0.830 8.551 575 H THR 78 H THR 78 -9.409 -1.493 7.282 576 HA THR 78 HA THR 78 -8.631 -3.365 9.374 577 HB THR 78 HB THR 78 -8.113 -3.742 6.413 578 HG1 THR 78 HG1 THR 78 -10.638 -3.725 7.680 579 1HG2 THR 78 1HG2 THR 78 -8.733 -6.019 6.952 580 2HG2 THR 78 2HG2 THR 78 -7.446 -5.481 8.057 581 3HG2 THR 78 3HG2 THR 78 -9.129 -5.573 8.613 582 H LEU 79 H LEU 79 -7.195 -0.719 7.682 583 HA LEU 79 HA LEU 79 -4.436 -1.709 7.922 584 1HB LEU 79 1HB LEU 79 -5.627 1.010 7.227 585 2HB LEU 79 2HB LEU 79 -3.906 0.742 7.387 586 HG LEU 79 HG LEU 79 -5.533 -0.973 5.475 587 1HD1 LEU 79 1HD1 LEU 79 -4.293 0.766 3.751 588 2HD1 LEU 79 2HD1 LEU 79 -5.978 0.834 4.206 589 3HD1 LEU 79 3HD1 LEU 79 -4.807 1.861 5.035 590 1HD2 LEU 79 1HD2 LEU 79 -2.587 -0.259 5.635 591 2HD2 LEU 79 2HD2 LEU 79 -3.329 -1.813 6.105 592 3HD2 LEU 79 3HD2 LEU 79 -3.324 -1.340 4.433 593 H LYS 80 H LYS 80 -6.252 1.009 9.498 594 HA LYS 80 HA LYS 80 -4.331 1.458 11.507 595 1HB LYS 80 1HB LYS 80 -6.339 2.442 12.695 596 2HB LYS 80 2HB LYS 80 -5.819 3.122 11.173 597 1HG LYS 80 1HG LYS 80 -7.779 1.368 10.304 598 2HG LYS 80 2HG LYS 80 -8.376 1.721 11.905 599 1HD LYS 80 1HD LYS 80 -9.316 3.176 10.137 600 2HD LYS 80 2HD LYS 80 -8.450 4.142 11.332 601 1HE LYS 80 1HE LYS 80 -6.880 3.135 8.979 602 2HE LYS 80 2HE LYS 80 -8.166 4.278 8.617 603 1HZ LYS 80 1HZ LYS 80 -6.024 5.336 9.033 604 2HZ LYS 80 2HZ LYS 80 -7.180 5.853 10.105 605 3HZ LYS 80 3HZ LYS 80 -6.012 4.796 10.569 606 H ALA 81 H ALA 81 -7.039 -0.890 11.457 607 HA ALA 81 HA ALA 81 -6.913 -1.601 14.186 608 1HB ALA 81 1HB ALA 81 -7.596 -3.189 11.701 609 2HB ALA 81 2HB ALA 81 -7.806 -3.807 13.369 610 3HB ALA 81 3HB ALA 81 -8.709 -2.380 12.828 611 H ALA 82 H ALA 82 -5.003 -2.988 11.369 612 HA ALA 82 HA ALA 82 -3.396 -4.557 13.289 613 1HB ALA 82 1HB ALA 82 -2.223 -5.168 11.080 614 2HB ALA 82 2HB ALA 82 -3.931 -5.596 11.190 615 3HB ALA 82 3HB ALA 82 -3.449 -4.183 10.261 616 H GLY 83 H GLY 83 -3.319 -1.606 13.621 617 1HA GLY 83 1HA GLY 83 -1.915 0.137 13.819 618 2HA GLY 83 2HA GLY 83 -0.701 -1.079 14.261 619 H VAL 84 H VAL 84 -2.162 -0.665 10.995 620 HA VAL 84 HA VAL 84 0.535 -0.553 9.929 621 HB VAL 84 HB VAL 84 -2.058 -0.624 8.356 622 1HG1 VAL 84 1HG1 VAL 84 -0.893 -1.578 6.619 623 2HG1 VAL 84 2HG1 VAL 84 0.340 -0.519 7.282 624 3HG1 VAL 84 3HG1 VAL 84 0.409 -2.217 7.659 625 1HG2 VAL 84 1HG2 VAL 84 -2.183 -2.457 10.012 626 2HG2 VAL 84 2HG2 VAL 84 -2.067 -3.048 8.378 627 3HG2 VAL 84 3HG2 VAL 84 -0.644 -3.085 9.475 628 H LYS 85 H LYS 85 1.576 1.388 9.661 629 HA LYS 85 HA LYS 85 -0.033 3.754 9.792 630 1HB LYS 85 1HB LYS 85 2.498 3.225 10.642 631 2HB LYS 85 2HB LYS 85 2.849 4.070 9.138 632 1HG LYS 85 1HG LYS 85 1.282 5.916 9.873 633 2HG LYS 85 2HG LYS 85 1.203 5.137 11.458 634 1HD LYS 85 1HD LYS 85 3.716 6.144 10.070 635 2HD LYS 85 2HD LYS 85 2.847 6.974 11.365 636 1HE LYS 85 1HE LYS 85 3.354 5.259 12.966 637 2HE LYS 85 2HE LYS 85 4.085 4.217 11.750 638 1HZ LYS 85 1HZ LYS 85 5.555 5.670 13.223 639 2HZ LYS 85 2HZ LYS 85 5.946 5.532 11.648 640 3HZ LYS 85 3HZ LYS 85 5.192 6.907 12.169 641 H VAL 86 H VAL 86 -0.937 4.800 7.939 642 HA VAL 86 HA VAL 86 -0.043 3.836 5.218 643 HB VAL 86 HB VAL 86 -2.454 5.482 6.056 644 1HG1 VAL 86 1HG1 VAL 86 -1.726 3.960 3.501 645 2HG1 VAL 86 2HG1 VAL 86 -3.325 4.679 3.841 646 3HG1 VAL 86 3HG1 VAL 86 -1.874 5.686 3.662 647 1HG2 VAL 86 1HG2 VAL 86 -3.786 3.495 6.045 648 2HG2 VAL 86 2HG2 VAL 86 -2.421 2.467 5.537 649 3HG2 VAL 86 3HG2 VAL 86 -2.442 3.147 7.129 650 H TYR 87 H TYR 87 1.222 5.168 3.943 651 HA TYR 87 HA TYR 87 1.272 8.052 4.555 652 1HB TYR 87 1HB TYR 87 3.130 6.118 3.175 653 2HB TYR 87 2HB TYR 87 3.163 7.780 2.677 654 HD1 TYR 87 HD1 TYR 87 3.980 9.492 4.178 655 HD2 TYR 87 HD2 TYR 87 3.629 5.441 5.575 656 HE1 TYR 87 HE1 TYR 87 5.294 10.107 6.071 657 HE2 TYR 87 HE2 TYR 87 4.922 6.054 7.619 658 HH TYR 87 HH TYR 87 6.832 8.621 7.750 659 H ARG 88 H ARG 88 1.084 9.449 2.800 660 HA ARG 88 HA ARG 88 -0.598 8.621 0.504 661 1HB ARG 88 1HB ARG 88 -0.932 10.841 1.720 662 2HB ARG 88 2HB ARG 88 0.689 11.296 1.214 663 1HG ARG 88 1HG ARG 88 -0.009 12.052 -0.740 664 2HG ARG 88 2HG ARG 88 -0.738 10.543 -1.146 665 1HD ARG 88 1HD ARG 88 -2.683 11.509 -1.262 666 2HD ARG 88 2HD ARG 88 -2.670 11.611 0.492 667 HE ARG 88 HE ARG 88 -2.510 13.844 0.330 668 1HH1 ARG 88 2HH2 ARG 88 -1.031 12.633 -2.717 669 2HH1 ARG 88 1HH2 ARG 88 -0.680 14.248 -3.262 670 1HH2 ARG 88 2HH1 ARG 88 -2.247 15.813 -0.522 671 2HH2 ARG 88 1HH1 ARG 88 -1.377 16.083 -2.012 672 H PHE 89 H PHE 89 0.328 9.216 -1.673 673 HA PHE 89 HA PHE 89 3.066 9.923 -1.920 674 1HB PHE 89 1HB PHE 89 3.921 7.964 -2.583 675 2HB PHE 89 2HB PHE 89 2.449 7.172 -2.151 676 HD1 PHE 89 HD1 PHE 89 4.571 7.453 -5.006 677 HD2 PHE 89 HD2 PHE 89 0.434 7.431 -3.783 678 HE1 PHE 89 HE1 PHE 89 3.892 6.953 -7.248 679 HE2 PHE 89 HE2 PHE 89 -0.263 6.975 -6.136 680 HZ PHE 89 HZ PHE 89 1.476 6.774 -7.893 681 H GLU 90 H GLU 90 3.237 10.521 -4.536 682 HA GLU 90 HA GLU 90 0.639 10.872 -5.738 683 1HB GLU 90 1HB GLU 90 0.831 13.311 -6.148 684 2HB GLU 90 2HB GLU 90 0.332 12.775 -4.560 685 1HG GLU 90 1HG GLU 90 2.527 13.345 -3.610 686 2HG GLU 90 2HG GLU 90 3.136 13.785 -5.214 687 H GLY 91 H GLY 91 1.844 9.334 -6.921 688 1HA GLY 91 1HA GLY 91 2.189 9.003 -9.221 689 2HA GLY 91 2HA GLY 91 2.715 10.694 -9.376 690 H GLY 92 H GLY 92 3.886 7.604 -9.694 691 1HA GLY 92 1HA GLY 92 6.600 8.129 -9.743 692 2HA GLY 92 2HA GLY 92 6.183 7.733 -8.057 693 H THR 93 H THR 93 7.881 6.048 -9.636 694 HA THR 93 HA THR 93 6.210 3.692 -10.112 695 HB THR 93 HB THR 93 8.189 2.542 -10.674 696 HG1 THR 93 HG1 THR 93 9.948 4.689 -10.289 697 1HG2 THR 93 1HG2 THR 93 7.199 4.011 -12.395 698 2HG2 THR 93 2HG2 THR 93 8.424 5.240 -12.012 699 3HG2 THR 93 3HG2 THR 93 8.924 3.657 -12.646 700 H VAL 94 H VAL 94 6.871 1.523 -8.845 701 HA VAL 94 HA VAL 94 6.632 1.650 -6.191 702 HB VAL 94 HB VAL 94 8.669 -0.042 -7.614 703 1HG1 VAL 94 1HG1 VAL 94 9.031 -0.182 -5.164 704 2HG1 VAL 94 2HG1 VAL 94 7.288 -0.436 -4.915 705 3HG1 VAL 94 3HG1 VAL 94 8.257 -1.663 -5.742 706 1HG2 VAL 94 1HG2 VAL 94 6.565 -0.361 -8.610 707 2HG2 VAL 94 2HG2 VAL 94 7.090 -1.797 -7.767 708 3HG2 VAL 94 3HG2 VAL 94 5.850 -0.767 -7.012 709 H GLN 95 H GLN 95 9.907 2.148 -7.768 710 HA GLN 95 HA GLN 95 11.164 2.475 -5.303 711 1HB GLN 95 1HB GLN 95 12.343 2.147 -7.494 712 2HB GLN 95 2HB GLN 95 12.041 3.849 -7.875 713 1HG GLN 95 1HG GLN 95 13.344 4.571 -5.930 714 2HG GLN 95 2HG GLN 95 13.490 2.904 -5.349 715 1HE2 GLN 95 1HE2 GLN 95 15.447 5.185 -6.385 716 2HE2 GLN 95 2HE2 GLN 95 16.464 4.277 -7.506 717 H GLU 96 H GLU 96 9.235 4.908 -6.920 718 HA GLU 96 HA GLU 96 10.475 7.245 -5.707 719 1HB GLU 96 1HB GLU 96 7.826 6.617 -7.021 720 2HB GLU 96 2HB GLU 96 8.240 8.250 -6.489 721 1HG GLU 96 1HG GLU 96 9.422 6.596 -8.746 722 2HG GLU 96 2HG GLU 96 8.591 8.140 -8.844 723 H ALA 97 H ALA 97 7.523 5.147 -5.180 724 HA ALA 97 HA ALA 97 6.550 6.419 -2.927 725 1HB ALA 97 1HB ALA 97 6.051 3.829 -2.343 726 2HB ALA 97 2HB ALA 97 5.262 4.651 -3.713 727 3HB ALA 97 3HB ALA 97 6.643 3.584 -3.962 728 H ILE 98 H ILE 98 9.496 4.442 -3.177 729 HA ILE 98 HA ILE 98 9.828 4.270 -0.254 730 HB ILE 98 HB ILE 98 11.897 3.469 -2.335 731 1HG1 ILE 98 1HG1 ILE 98 10.067 2.619 -3.253 732 2HG1 ILE 98 2HG1 ILE 98 10.940 1.260 -2.550 733 1HG2 ILE 98 1HG2 ILE 98 11.130 2.272 0.378 734 2HG2 ILE 98 2HG2 ILE 98 12.438 1.700 -0.677 735 3HG2 ILE 98 3HG2 ILE 98 12.535 3.309 0.058 736 1HD1 ILE 98 1HD1 ILE 98 9.256 1.196 -0.680 737 2HD1 ILE 98 2HD1 ILE 98 8.317 2.477 -1.490 738 3HD1 ILE 98 3HD1 ILE 98 8.559 0.918 -2.292 739 H ASP 99 H ASP 99 11.563 5.645 -3.080 740 HA ASP 99 HA ASP 99 13.607 7.038 -1.648 741 1HB ASP 99 1HB ASP 99 12.579 6.944 -4.474 742 2HB ASP 99 2HB ASP 99 13.467 8.363 -4.013 743 H ALA 100 H ALA 100 10.272 7.675 -2.079 744 HA ALA 100 HA ALA 100 10.546 10.501 -1.237 745 1HB ALA 100 1HB ALA 100 8.121 10.529 -1.459 746 2HB ALA 100 2HB ALA 100 8.839 9.804 -2.911 747 3HB ALA 100 3HB ALA 100 8.089 8.754 -1.716 748 H PHE 101 H PHE 101 8.939 7.500 0.035 749 HA PHE 101 HA PHE 101 8.413 8.478 2.609 750 1HB PHE 101 1HB PHE 101 7.319 6.564 1.966 751 2HB PHE 101 2HB PHE 101 8.769 5.779 1.344 752 HD1 PHE 101 HD1 PHE 101 10.315 4.553 2.701 753 HD2 PHE 101 HD2 PHE 101 6.671 6.230 4.325 754 HE1 PHE 101 HE1 PHE 101 10.530 3.083 4.623 755 HE2 PHE 101 HE2 PHE 101 6.846 4.685 6.260 756 HZ PHE 101 HZ PHE 101 8.746 3.110 6.433 757 H SER 102 H SER 102 11.297 6.798 1.474 758 HA SER 102 HA SER 102 12.503 6.297 4.003 759 1HB SER 102 1HB SER 102 14.571 5.903 2.738 760 2HB SER 102 2HB SER 102 13.140 5.092 2.052 761 HG SER 102 HG SER 102 13.042 6.520 0.437 762 H GLU 103 H GLU 103 13.073 8.921 1.633 763 HA GLU 103 HA GLU 103 14.597 10.491 3.582 764 1HB GLU 103 1HB GLU 103 13.607 11.229 0.794 765 2HB GLU 103 2HB GLU 103 14.919 11.987 1.687 766 1HG GLU 103 1HG GLU 103 15.637 9.209 1.498 767 2HG GLU 103 2HG GLU 103 14.861 9.553 -0.024 768 H GLY 104 H GLY 104 12.003 9.827 4.345 769 1HA GLY 104 1HA GLY 104 10.125 10.645 5.270 770 2HA GLY 104 2HA GLY 104 11.238 11.954 5.758 771 H ARG 105 H ARG 105 10.126 11.305 2.408 772 HA ARG 105 HA ARG 105 9.137 14.097 2.290 773 1HB ARG 105 1HB ARG 105 10.847 12.305 0.725 774 2HB ARG 105 2HB ARG 105 9.491 12.717 -0.253 775 1HG ARG 105 1HG ARG 105 9.938 15.166 0.389 776 2HG ARG 105 2HG ARG 105 11.511 14.577 1.024 777 1HD ARG 105 1HD ARG 105 12.117 13.679 -1.101 778 2HD ARG 105 2HD ARG 105 10.492 13.908 -1.772 779 HE ARG 105 HE ARG 105 11.418 16.440 -1.036 780 1HH1 ARG 105 2HH2 ARG 105 12.157 13.827 -3.339 781 2HH1 ARG 105 1HH2 ARG 105 12.703 14.860 -4.591 782 1HH2 ARG 105 2HH1 ARG 105 12.266 17.871 -2.684 783 2HH2 ARG 105 1HH1 ARG 105 12.861 17.169 -4.177 784 H LEU 106 H LEU 106 7.339 11.941 3.379 785 HA LEU 106 HA LEU 106 5.189 12.230 1.355 786 1HB LEU 106 1HB LEU 106 6.176 9.746 2.791 787 2HB LEU 106 2HB LEU 106 4.563 9.848 2.168 788 HG LEU 106 HG LEU 106 7.175 9.866 0.601 789 1HD1 LEU 106 1HD1 LEU 106 6.583 7.800 -0.105 790 2HD1 LEU 106 2HD1 LEU 106 5.730 7.781 1.468 791 3HD1 LEU 106 3HD1 LEU 106 4.845 8.084 -0.017 792 1HD2 LEU 106 1HD2 LEU 106 5.889 11.386 -0.783 793 2HD2 LEU 106 2HD2 LEU 106 5.552 9.809 -1.498 794 3HD2 LEU 106 3HD2 LEU 106 4.377 10.573 -0.403 795 H GLU 107 H GLU 107 3.053 11.527 2.491 796 HA GLU 107 HA GLU 107 2.880 13.222 4.935 797 1HB GLU 107 1HB GLU 107 0.665 12.539 2.996 798 2HB GLU 107 2HB GLU 107 0.728 13.861 4.159 799 1HG GLU 107 1HG GLU 107 2.312 15.075 2.766 800 2HG GLU 107 2HG GLU 107 2.529 13.670 1.724 801 H GLU 108 H GLU 108 1.681 12.305 6.744 802 HA GLU 108 HA GLU 108 1.427 9.389 6.617 803 1HB GLU 108 1HB GLU 108 2.475 10.861 8.501 804 2HB GLU 108 2HB GLU 108 0.825 11.217 8.993 805 1HG GLU 108 1HG GLU 108 0.502 8.690 9.226 806 2HG GLU 108 2HG GLU 108 2.209 8.497 8.841 807 H LEU 109 H LEU 109 -0.252 9.035 5.277 808 HA LEU 109 HA LEU 109 -2.754 10.408 5.483 809 1HB LEU 109 1HB LEU 109 -1.657 9.426 3.387 810 2HB LEU 109 2HB LEU 109 -2.104 7.833 4.020 811 HG LEU 109 HG LEU 109 -4.426 9.428 4.047 812 1HD1 LEU 109 1HD1 LEU 109 -3.166 9.582 1.336 813 2HD1 LEU 109 2HD1 LEU 109 -4.811 10.088 1.772 814 3HD1 LEU 109 3HD1 LEU 109 -3.424 10.948 2.465 815 1HD2 LEU 109 1HD2 LEU 109 -5.446 7.898 2.612 816 2HD2 LEU 109 2HD2 LEU 109 -3.859 7.282 2.021 817 3HD2 LEU 109 3HD2 LEU 109 -4.385 6.992 3.701 818 H THR 110 H THR 110 -2.114 9.203 7.996 819 HA THR 110 HA THR 110 -3.430 6.588 8.101 820 HB THR 110 HB THR 110 -1.199 6.926 8.818 821 HG1 THR 110 HG1 THR 110 -2.029 5.913 11.043 822 1HG2 THR 110 1HG2 THR 110 -2.745 8.236 10.993 823 2HG2 THR 110 2HG2 THR 110 -0.989 7.887 11.039 824 3HG2 THR 110 3HG2 THR 110 -1.666 9.032 9.840 825 H THR 111 H THR 111 -5.150 8.796 7.536 826 HA THR 111 HA THR 111 -7.350 8.671 9.335 827 HB THR 111 HB THR 111 -5.929 9.481 11.084 828 HG1 THR 111 HG1 THR 111 -7.578 10.527 11.617 829 1HG2 THR 111 1HG2 THR 111 -4.072 10.524 9.864 830 2HG2 THR 111 2HG2 THR 111 -5.133 11.837 9.326 831 3HG2 THR 111 3HG2 THR 111 -4.766 11.628 11.049 832 H PHE 112 H PHE 112 -7.707 8.504 6.802 833 HA PHE 112 HA PHE 112 -8.379 11.137 5.687 834 1HB PHE 112 1HB PHE 112 -6.396 9.203 4.586 835 2HB PHE 112 2HB PHE 112 -7.420 10.094 3.495 836 HD1 PHE 112 HD1 PHE 112 -6.562 11.995 2.526 837 HD2 PHE 112 HD2 PHE 112 -5.161 10.930 6.456 838 HE1 PHE 112 HE1 PHE 112 -5.033 13.932 2.522 839 HE2 PHE 112 HE2 PHE 112 -3.726 12.924 6.493 840 HZ PHE 112 HZ PHE 112 -3.658 14.454 4.520 841 H THR 113 H THR 113 -10.185 10.965 4.441 842 HA THR 113 HA THR 113 -11.080 8.434 3.365 843 HB THR 113 HB THR 113 -13.443 8.836 4.172 844 HG1 THR 113 HG1 THR 113 -13.631 9.708 6.245 845 1HG2 THR 113 1HG2 THR 113 -11.438 7.854 6.282 846 2HG2 THR 113 2HG2 THR 113 -13.157 7.436 6.195 847 3HG2 THR 113 3HG2 THR 113 -12.045 6.888 4.926 848 H ARG 114 H ARG 114 -11.245 9.069 1.311 849 HA ARG 114 HA ARG 114 -13.299 10.956 0.754 850 1HB ARG 114 1HB ARG 114 -11.279 12.428 0.777 851 2HB ARG 114 2HB ARG 114 -10.504 11.388 -0.420 852 1HG ARG 114 1HG ARG 114 -11.403 13.378 -1.508 853 2HG ARG 114 2HG ARG 114 -12.266 11.953 -2.073 854 1HD ARG 114 1HD ARG 114 -13.871 13.683 -1.677 855 2HD ARG 114 2HD ARG 114 -14.119 12.456 -0.451 856 HE ARG 114 HE ARG 114 -12.308 14.522 0.442 857 1HH1 ARG 114 2HH2 ARG 114 -15.755 13.742 0.121 858 2HH1 ARG 114 1HH2 ARG 114 -16.339 15.223 0.765 859 1HH2 ARG 114 2HH1 ARG 114 -13.032 16.302 1.732 860 2HH2 ARG 114 1HH1 ARG 114 -14.722 16.713 1.764 861 H GLU 115 H GLU 115 -14.291 10.266 -1.158 862 HA GLU 115 HA GLU 115 -13.207 7.727 -2.234 863 1HB GLU 115 1HB GLU 115 -15.436 8.038 -0.773 864 2HB GLU 115 2HB GLU 115 -16.144 8.426 -2.334 865 1HG GLU 115 1HG GLU 115 -16.372 6.051 -2.108 866 2HG GLU 115 2HG GLU 115 -14.993 6.257 -3.196 867 H GLY 116 H GLY 116 -12.263 9.986 -3.603 868 1HA GLY 116 1HA GLY 116 -12.822 9.221 -6.262 869 2HA GLY 116 2HA GLY 116 -13.742 10.699 -5.924 Start of MODEL 19 1 1H MET 1 H1 MET 1 10.865 0.933 11.224 2 HA MET 1 HA MET 1 12.283 -0.824 10.444 3 1HB MET 1 1HB MET 1 13.162 -2.506 11.925 4 2HB MET 1 2HB MET 1 13.735 -0.894 12.357 5 1HG MET 1 1HG MET 1 11.465 -1.212 13.965 6 2HG MET 1 2HG MET 1 12.144 -2.826 13.917 7 1HE MET 1 1HE MET 1 14.186 -3.526 15.473 8 2HE MET 1 2HE MET 1 14.142 -2.571 16.972 9 3HE MET 1 3HE MET 1 12.632 -3.138 16.239 10 H ALA 2 H ALA 2 10.799 -1.855 9.262 11 HA ALA 2 HA ALA 2 8.775 -3.615 10.323 12 1HB ALA 2 1HB ALA 2 8.208 -0.732 9.572 13 2HB ALA 2 2HB ALA 2 6.977 -1.912 9.200 14 3HB ALA 2 3HB ALA 2 7.504 -1.673 10.887 15 H ARG 3 H ARG 3 7.165 -4.155 8.537 16 HA ARG 3 HA ARG 3 8.420 -4.037 5.825 17 1HB ARG 3 1HB ARG 3 6.394 -5.842 7.150 18 2HB ARG 3 2HB ARG 3 6.269 -5.477 5.417 19 1HG ARG 3 1HG ARG 3 8.389 -6.413 4.957 20 2HG ARG 3 2HG ARG 3 8.978 -6.022 6.571 21 1HD ARG 3 1HD ARG 3 9.171 -8.152 6.772 22 2HD ARG 3 2HD ARG 3 7.510 -8.017 7.388 23 HE ARG 3 HE ARG 3 7.646 -8.560 4.536 24 1HH1 ARG 3 2HH2 ARG 3 8.048 -10.255 7.713 25 2HH1 ARG 3 1HH2 ARG 3 7.554 -11.756 7.022 26 1HH2 ARG 3 2HH1 ARG 3 7.198 -10.746 3.722 27 2HH2 ARG 3 1HH1 ARG 3 7.234 -12.039 4.890 28 H VAL 4 H VAL 4 7.375 -3.035 4.218 29 HA VAL 4 HA VAL 4 5.147 -1.179 4.918 30 HB VAL 4 HB VAL 4 7.643 -0.418 4.352 31 1HG1 VAL 4 1HG1 VAL 4 7.586 -1.827 2.241 32 2HG1 VAL 4 2HG1 VAL 4 6.534 -0.571 1.547 33 3HG1 VAL 4 3HG1 VAL 4 8.185 -0.159 2.080 34 1HG2 VAL 4 1HG2 VAL 4 6.809 1.569 2.956 35 2HG2 VAL 4 2HG2 VAL 4 5.188 0.978 3.403 36 3HG2 VAL 4 3HG2 VAL 4 6.449 1.380 4.632 37 H ALA 5 H ALA 5 3.731 -0.754 2.953 38 HA ALA 5 HA ALA 5 3.991 -2.900 0.940 39 1HB ALA 5 1HB ALA 5 2.065 -3.617 2.113 40 2HB ALA 5 2HB ALA 5 1.499 -1.953 2.432 41 3HB ALA 5 3HB ALA 5 1.371 -2.636 0.816 42 H ILE 6 H ILE 6 3.477 -2.162 -1.148 43 HA ILE 6 HA ILE 6 2.734 0.643 -1.529 44 HB ILE 6 HB ILE 6 4.853 -0.640 -3.244 45 1HG1 ILE 6 1HG1 ILE 6 6.285 1.258 -2.121 46 2HG1 ILE 6 2HG1 ILE 6 5.232 0.999 -0.752 47 1HG2 ILE 6 1HG2 ILE 6 3.911 2.230 -2.979 48 2HG2 ILE 6 2HG2 ILE 6 5.176 1.626 -4.072 49 3HG2 ILE 6 3HG2 ILE 6 3.510 1.110 -4.306 50 1HD1 ILE 6 1HD1 ILE 6 6.902 -1.162 -2.140 51 2HD1 ILE 6 2HD1 ILE 6 7.332 -0.341 -0.627 52 3HD1 ILE 6 3HD1 ILE 6 5.940 -1.395 -0.667 53 HA PRO 7 HA PRO 7 -0.039 -1.744 -4.319 54 1HB PRO 7 1HB PRO 7 -1.652 0.393 -4.966 55 2HB PRO 7 2HB PRO 7 -1.699 -0.459 -3.383 56 1HG PRO 7 1HG PRO 7 -0.577 2.251 -4.008 57 2HG PRO 7 2HG PRO 7 -1.127 1.644 -2.439 58 1HD PRO 7 1HD PRO 7 1.389 1.779 -3.376 59 2HD PRO 7 2HD PRO 7 0.780 1.007 -1.833 60 H SER 8 H SER 8 1.190 -2.288 -6.072 61 HA SER 8 HA SER 8 2.131 -0.205 -7.970 62 1HB SER 8 1HB SER 8 3.760 -1.822 -7.042 63 2HB SER 8 2HB SER 8 2.742 -3.180 -7.514 64 HG SER 8 HG SER 8 4.264 -3.036 -9.067 65 H VAL 9 H VAL 9 1.940 -0.885 -10.259 66 HA VAL 9 HA VAL 9 -0.251 -2.810 -10.873 67 HB VAL 9 HB VAL 9 -0.885 -1.589 -12.797 68 1HG1 VAL 9 1HG1 VAL 9 -1.882 -1.076 -10.504 69 2HG1 VAL 9 2HG1 VAL 9 -0.955 0.449 -10.600 70 3HG1 VAL 9 3HG1 VAL 9 -2.169 0.097 -11.822 71 1HG2 VAL 9 1HG2 VAL 9 0.830 0.784 -11.860 72 2HG2 VAL 9 2HG2 VAL 9 1.332 -0.281 -13.186 73 3HG2 VAL 9 3HG2 VAL 9 -0.146 0.686 -13.324 74 H GLY 10 H GLY 10 2.605 -3.380 -10.454 75 1HA GLY 10 1HA GLY 10 2.663 -5.291 -12.497 76 2HA GLY 10 2HA GLY 10 3.898 -4.082 -12.869 77 H LYS 11 H LYS 11 4.844 -6.499 -12.513 78 HA LYS 11 HA LYS 11 5.317 -7.128 -9.672 79 1HB LYS 11 1HB LYS 11 6.120 -8.632 -12.233 80 2HB LYS 11 2HB LYS 11 6.251 -9.225 -10.562 81 1HG LYS 11 1HG LYS 11 3.822 -8.986 -10.369 82 2HG LYS 11 2HG LYS 11 3.777 -8.787 -12.143 83 1HD LYS 11 1HD LYS 11 3.906 -11.027 -12.418 84 2HD LYS 11 2HD LYS 11 5.364 -11.125 -11.430 85 1HE LYS 11 1HE LYS 11 3.856 -11.069 -9.383 86 2HE LYS 11 2HE LYS 11 2.459 -11.183 -10.471 87 1HZ LYS 11 1HZ LYS 11 3.243 -13.324 -11.198 88 2HZ LYS 11 2HZ LYS 11 4.637 -13.158 -10.308 89 3HZ LYS 11 3HZ LYS 11 3.202 -13.306 -9.552 90 H ASP 12 H ASP 12 6.669 -4.669 -10.615 91 HA ASP 12 HA ASP 12 9.469 -5.563 -10.248 92 1HB ASP 12 1HB ASP 12 8.312 -4.810 -12.750 93 2HB ASP 12 2HB ASP 12 9.281 -3.443 -12.251 94 H LEU 13 H LEU 13 10.926 -3.849 -9.830 95 HA LEU 13 HA LEU 13 9.822 -2.044 -7.839 96 1HB LEU 13 1HB LEU 13 12.137 -3.419 -8.075 97 2HB LEU 13 2HB LEU 13 12.680 -1.874 -8.695 98 HG LEU 13 HG LEU 13 13.226 -2.169 -6.370 99 1HD1 LEU 13 1HD1 LEU 13 12.642 0.060 -7.293 100 2HD1 LEU 13 2HD1 LEU 13 11.050 -0.080 -6.513 101 3HD1 LEU 13 3HD1 LEU 13 12.528 -0.079 -5.527 102 1HD2 LEU 13 1HD2 LEU 13 11.592 -2.326 -4.560 103 2HD2 LEU 13 2HD2 LEU 13 10.255 -2.374 -5.708 104 3HD2 LEU 13 3HD2 LEU 13 11.417 -3.707 -5.660 105 H SER 14 H SER 14 10.425 -1.731 -11.220 106 HA SER 14 HA SER 14 9.886 1.212 -10.972 107 1HB SER 14 1HB SER 14 12.134 0.360 -11.986 108 2HB SER 14 2HB SER 14 11.073 -0.258 -13.279 109 HG SER 14 HG SER 14 11.493 2.467 -12.459 110 H SER 15 H SER 15 7.941 -1.116 -10.832 111 HA SER 15 HA SER 15 6.497 -0.638 -13.313 112 1HB SER 15 1HB SER 15 5.601 -1.845 -10.659 113 2HB SER 15 2HB SER 15 4.634 -1.838 -12.147 114 HG SER 15 HG SER 15 6.099 -3.293 -13.066 115 H MET 16 H MET 16 4.151 0.522 -12.888 116 HA MET 16 HA MET 16 4.732 3.031 -11.482 117 1HB MET 16 1HB MET 16 2.500 1.978 -13.215 118 2HB MET 16 2HB MET 16 2.180 3.302 -12.110 119 1HG MET 16 1HG MET 16 4.555 4.138 -13.245 120 2HG MET 16 2HG MET 16 3.832 3.235 -14.565 121 1HE MET 16 1HE MET 16 1.689 5.359 -11.818 122 2HE MET 16 2HE MET 16 3.381 5.901 -11.856 123 3HE MET 16 3HE MET 16 2.075 6.965 -12.451 124 H VAL 17 H VAL 17 3.771 3.816 -9.602 125 HA VAL 17 HA VAL 17 2.334 1.887 -7.883 126 HB VAL 17 HB VAL 17 3.317 4.728 -7.350 127 1HG1 VAL 17 1HG1 VAL 17 2.084 2.785 -5.347 128 2HG1 VAL 17 2HG1 VAL 17 2.909 4.322 -4.988 129 3HG1 VAL 17 3HG1 VAL 17 1.360 4.324 -5.852 130 1HG2 VAL 17 1HG2 VAL 17 4.185 2.008 -6.331 131 2HG2 VAL 17 2HG2 VAL 17 4.970 2.990 -7.556 132 3HG2 VAL 17 3HG2 VAL 17 4.908 3.593 -5.910 133 H SER 18 H SER 18 0.265 2.400 -7.085 134 HA SER 18 HA SER 18 -1.489 3.616 -9.168 135 1HB SER 18 1HB SER 18 -1.064 1.032 -8.630 136 2HB SER 18 2HB SER 18 -2.208 1.329 -7.362 137 HG SER 18 HG SER 18 -3.549 0.967 -8.975 138 H ASP 19 H ASP 19 -3.505 4.660 -8.492 139 HA ASP 19 HA ASP 19 -3.077 6.122 -6.063 140 1HB ASP 19 1HB ASP 19 -4.780 6.143 -8.461 141 2HB ASP 19 2HB ASP 19 -5.772 6.535 -7.202 142 H ARG 20 H ARG 20 -3.902 3.198 -5.592 143 HA ARG 20 HA ARG 20 -6.191 3.625 -3.749 144 1HB ARG 20 1HB ARG 20 -6.432 1.829 -6.223 145 2HB ARG 20 2HB ARG 20 -7.520 1.775 -4.956 146 1HG ARG 20 1HG ARG 20 -8.266 4.093 -5.569 147 2HG ARG 20 2HG ARG 20 -6.963 4.179 -6.786 148 1HD ARG 20 1HD ARG 20 -7.943 2.237 -7.962 149 2HD ARG 20 2HD ARG 20 -9.370 2.350 -6.892 150 HE ARG 20 HE ARG 20 -8.727 4.954 -7.791 151 1HH1 ARG 20 2HH2 ARG 20 -10.091 2.123 -9.513 152 2HH1 ARG 20 1HH2 ARG 20 -10.205 3.009 -10.980 153 1HH2 ARG 20 2HH1 ARG 20 -8.879 5.999 -9.642 154 2HH2 ARG 20 1HH1 ARG 20 -9.507 5.294 -11.102 155 H PHE 21 H PHE 21 -5.453 2.511 -2.009 156 HA PHE 21 HA PHE 21 -3.871 0.263 -2.139 157 1HB PHE 21 1HB PHE 21 -4.453 1.436 -0.033 158 2HB PHE 21 2HB PHE 21 -6.139 0.973 -0.239 159 HD1 PHE 21 HD1 PHE 21 -6.348 -0.186 1.907 160 HD2 PHE 21 HD2 PHE 21 -3.405 -1.424 -1.013 161 HE1 PHE 21 HE1 PHE 21 -5.715 -2.170 3.267 162 HE2 PHE 21 HE2 PHE 21 -2.633 -3.105 0.324 163 HZ PHE 21 HZ PHE 21 -3.797 -3.613 2.593 164 H ALA 22 H ALA 22 -7.380 0.087 -1.504 165 HA ALA 22 HA ALA 22 -7.262 -2.702 -1.594 166 1HB ALA 22 1HB ALA 22 -9.613 -2.629 -1.062 167 2HB ALA 22 2HB ALA 22 -8.853 -1.247 -0.270 168 3HB ALA 22 3HB ALA 22 -9.799 -1.013 -1.764 169 H ARG 23 H ARG 23 -7.162 -0.809 -4.357 170 HA ARG 23 HA ARG 23 -8.154 -3.004 -5.992 171 1HB ARG 23 1HB ARG 23 -9.105 -0.183 -5.906 172 2HB ARG 23 2HB ARG 23 -8.629 -0.773 -7.471 173 1HG ARG 23 1HG ARG 23 -10.546 -2.116 -5.507 174 2HG ARG 23 2HG ARG 23 -11.072 -1.178 -6.866 175 1HD ARG 23 1HD ARG 23 -9.430 -3.647 -7.438 176 2HD ARG 23 2HD ARG 23 -11.088 -3.817 -6.915 177 HE ARG 23 HE ARG 23 -11.862 -3.146 -8.889 178 1HH1 ARG 23 2HH2 ARG 23 -8.434 -2.283 -8.881 179 2HH1 ARG 23 1HH2 ARG 23 -8.398 -1.693 -10.466 180 1HH2 ARG 23 2HH1 ARG 23 -11.524 -3.071 -11.240 181 2HH2 ARG 23 1HH1 ARG 23 -10.190 -2.137 -11.839 182 H ALA 24 H ALA 24 -5.525 -2.876 -5.206 183 HA ALA 24 HA ALA 24 -4.308 -1.470 -7.482 184 1HB ALA 24 1HB ALA 24 -3.227 -1.202 -5.011 185 2HB ALA 24 2HB ALA 24 -2.647 -2.835 -5.262 186 3HB ALA 24 3HB ALA 24 -2.118 -1.535 -6.336 187 H GLU 25 H GLU 25 -2.226 -3.253 -8.219 188 HA GLU 25 HA GLU 25 -3.781 -5.812 -8.659 189 1HB GLU 25 1HB GLU 25 -2.140 -3.955 -10.362 190 2HB GLU 25 2HB GLU 25 -2.224 -5.700 -10.774 191 1HG GLU 25 1HG GLU 25 -4.781 -5.394 -10.597 192 2HG GLU 25 2HG GLU 25 -4.424 -3.657 -10.579 193 H TYR 26 H TYR 26 -0.701 -4.418 -7.586 194 HA TYR 26 HA TYR 26 0.317 -7.087 -7.025 195 1HB TYR 26 1HB TYR 26 1.799 -4.869 -8.501 196 2HB TYR 26 2HB TYR 26 2.505 -6.387 -7.952 197 HD1 TYR 26 HD1 TYR 26 0.220 -4.793 -10.371 198 HD2 TYR 26 HD2 TYR 26 2.082 -8.450 -9.183 199 HE1 TYR 26 HE1 TYR 26 -0.292 -5.732 -12.611 200 HE2 TYR 26 HE2 TYR 26 1.753 -9.375 -11.446 201 HH TYR 26 HH TYR 26 0.134 -7.471 -14.084 202 H PHE 27 H PHE 27 1.501 -6.991 -5.131 203 HA PHE 27 HA PHE 27 1.457 -4.362 -3.714 204 1HB PHE 27 1HB PHE 27 0.501 -7.066 -2.776 205 2HB PHE 27 2HB PHE 27 0.960 -5.830 -1.661 206 HD1 PHE 27 HD1 PHE 27 -0.076 -3.370 -2.607 207 HD2 PHE 27 HD2 PHE 27 -1.835 -7.276 -2.876 208 HE1 PHE 27 HE1 PHE 27 -2.306 -2.343 -2.662 209 HE2 PHE 27 HE2 PHE 27 -4.091 -6.242 -3.069 210 HZ PHE 27 HZ PHE 27 -4.340 -3.799 -2.959 211 H ILE 28 H ILE 28 3.492 -3.838 -3.785 212 HA ILE 28 HA ILE 28 5.712 -5.786 -3.502 213 HB ILE 28 HB ILE 28 5.793 -2.780 -3.810 214 1HG1 ILE 28 1HG1 ILE 28 4.587 -3.454 -5.733 215 2HG1 ILE 28 2HG1 ILE 28 6.249 -3.275 -6.254 216 1HG2 ILE 28 1HG2 ILE 28 8.092 -3.276 -4.642 217 2HG2 ILE 28 2HG2 ILE 28 7.849 -3.818 -2.992 218 3HG2 ILE 28 3HG2 ILE 28 7.831 -4.996 -4.325 219 1HD1 ILE 28 1HD1 ILE 28 4.862 -5.937 -5.720 220 2HD1 ILE 28 2HD1 ILE 28 5.253 -5.224 -7.293 221 3HD1 ILE 28 3HD1 ILE 28 6.563 -5.702 -6.205 222 H ILE 29 H ILE 29 6.324 -6.386 -1.564 223 HA ILE 29 HA ILE 29 5.804 -4.626 0.771 224 HB ILE 29 HB ILE 29 5.771 -7.583 0.306 225 1HG1 ILE 29 1HG1 ILE 29 3.956 -5.697 1.760 226 2HG1 ILE 29 2HG1 ILE 29 3.818 -6.270 0.081 227 1HG2 ILE 29 1HG2 ILE 29 5.889 -8.135 2.668 228 2HG2 ILE 29 2HG2 ILE 29 7.370 -7.424 2.134 229 3HG2 ILE 29 3HG2 ILE 29 6.228 -6.419 3.082 230 1HD1 ILE 29 1HD1 ILE 29 2.344 -7.398 1.859 231 2HD1 ILE 29 2HD1 ILE 29 3.197 -8.426 0.680 232 3HD1 ILE 29 3HD1 ILE 29 3.782 -8.264 2.351 233 H TYR 30 H TYR 30 7.568 -3.581 1.271 234 HA TYR 30 HA TYR 30 10.262 -4.724 0.681 235 1HB TYR 30 1HB TYR 30 9.726 -2.432 -0.282 236 2HB TYR 30 2HB TYR 30 9.463 -1.874 1.337 237 HD1 TYR 30 HD1 TYR 30 11.295 -1.344 2.852 238 HD2 TYR 30 HD2 TYR 30 12.045 -3.033 -1.038 239 HE1 TYR 30 HE1 TYR 30 13.726 -0.828 3.088 240 HE2 TYR 30 HE2 TYR 30 14.464 -2.567 -0.785 241 HH TYR 30 HH TYR 30 16.128 -1.576 0.565 242 H ASP 31 H ASP 31 11.246 -5.540 2.298 243 HA ASP 31 HA ASP 31 10.390 -5.268 5.081 244 1HB ASP 31 1HB ASP 31 10.991 -7.432 3.813 245 2HB ASP 31 2HB ASP 31 12.669 -6.885 3.848 246 H THR 32 H THR 32 11.349 -3.572 6.319 247 HA THR 32 HA THR 32 13.849 -2.424 5.224 248 HB THR 32 HB THR 32 13.637 -0.718 6.978 249 HG1 THR 32 HG1 THR 32 11.263 -2.134 7.587 250 1HG2 THR 32 1HG2 THR 32 12.429 -0.352 4.845 251 2HG2 THR 32 2HG2 THR 32 10.993 -1.150 5.483 252 3HG2 THR 32 3HG2 THR 32 11.573 0.368 6.210 253 H GLU 33 H GLU 33 13.614 -5.225 6.632 254 HA GLU 33 HA GLU 33 15.739 -4.623 8.558 255 1HB GLU 33 1HB GLU 33 14.118 -7.184 8.069 256 2HB GLU 33 2HB GLU 33 15.411 -7.055 9.247 257 1HG GLU 33 1HG GLU 33 14.058 -5.030 10.223 258 2HG GLU 33 2HG GLU 33 12.681 -5.721 9.354 259 H SER 34 H SER 34 15.247 -6.690 5.759 260 HA SER 34 HA SER 34 18.115 -6.115 5.516 261 1HB SER 34 1HB SER 34 17.548 -8.605 6.139 262 2HB SER 34 2HB SER 34 16.932 -8.744 4.494 263 HG SER 34 HG SER 34 19.137 -7.735 3.957 264 H GLY 35 H GLY 35 15.626 -4.850 4.542 265 1HA GLY 35 1HA GLY 35 15.100 -3.592 2.756 266 2HA GLY 35 2HA GLY 35 16.757 -3.799 2.249 267 H ASN 36 H ASN 36 14.412 -6.385 2.657 268 HA ASN 36 HA ASN 36 14.962 -7.316 -0.110 269 1HB ASN 36 1HB ASN 36 15.498 -8.920 1.637 270 2HB ASN 36 2HB ASN 36 13.917 -8.717 2.393 271 1HD2 ASN 36 1HD2 ASN 36 12.583 -10.475 1.928 272 2HD2 ASN 36 2HD2 ASN 36 12.515 -11.285 0.371 273 H VAL 37 H VAL 37 13.020 -8.300 -1.278 274 HA VAL 37 HA VAL 37 10.593 -6.805 -0.613 275 HB VAL 37 HB VAL 37 11.183 -6.945 -3.517 276 1HG1 VAL 37 1HG1 VAL 37 10.124 -4.798 -1.633 277 2HG1 VAL 37 2HG1 VAL 37 10.138 -4.691 -3.420 278 3HG1 VAL 37 3HG1 VAL 37 9.134 -5.900 -2.605 279 1HG2 VAL 37 1HG2 VAL 37 12.744 -4.992 -1.795 280 2HG2 VAL 37 2HG2 VAL 37 13.400 -6.181 -2.938 281 3HG2 VAL 37 3HG2 VAL 37 12.458 -4.813 -3.543 282 H GLU 38 H GLU 38 8.617 -7.708 -1.514 283 HA GLU 38 HA GLU 38 8.953 -10.212 -3.015 284 1HB GLU 38 1HB GLU 38 7.142 -11.293 -1.714 285 2HB GLU 38 2HB GLU 38 8.583 -11.001 -0.736 286 1HG GLU 38 1HG GLU 38 7.424 -8.964 0.125 287 2HG GLU 38 2HG GLU 38 5.981 -9.442 -0.797 288 H VAL 39 H VAL 39 7.055 -10.645 -4.238 289 HA VAL 39 HA VAL 39 5.394 -8.219 -4.851 290 HB VAL 39 HB VAL 39 6.145 -10.417 -6.829 291 1HG1 VAL 39 1HG1 VAL 39 4.676 -7.749 -7.256 292 2HG1 VAL 39 2HG1 VAL 39 5.079 -8.965 -8.483 293 3HG1 VAL 39 3HG1 VAL 39 3.913 -9.335 -7.235 294 1HG2 VAL 39 1HG2 VAL 39 7.446 -8.608 -7.985 295 2HG2 VAL 39 2HG2 VAL 39 7.328 -7.659 -6.487 296 3HG2 VAL 39 3HG2 VAL 39 8.161 -9.222 -6.487 297 H VAL 40 H VAL 40 3.561 -8.662 -3.757 298 HA VAL 40 HA VAL 40 2.247 -11.314 -3.994 299 HB VAL 40 HB VAL 40 1.795 -8.667 -2.640 300 1HG1 VAL 40 1HG1 VAL 40 -0.464 -9.226 -1.997 301 2HG1 VAL 40 2HG1 VAL 40 -0.333 -9.000 -3.737 302 3HG1 VAL 40 3HG1 VAL 40 -0.454 -10.651 -3.070 303 1HG2 VAL 40 1HG2 VAL 40 2.967 -10.450 -1.431 304 2HG2 VAL 40 2HG2 VAL 40 1.428 -10.047 -0.658 305 3HG2 VAL 40 3HG2 VAL 40 1.568 -11.522 -1.650 306 H GLU 41 H GLU 41 0.680 -11.643 -5.513 307 HA GLU 41 HA GLU 41 0.112 -9.611 -7.634 308 1HB GLU 41 1HB GLU 41 1.311 -11.597 -8.453 309 2HB GLU 41 2HB GLU 41 0.244 -12.661 -7.538 310 1HG GLU 41 1HG GLU 41 -1.683 -11.710 -9.008 311 2HG GLU 41 2HG GLU 41 -0.386 -11.070 -10.026 312 H ASN 42 H ASN 42 -1.987 -8.756 -7.191 313 HA ASN 42 HA ASN 42 -3.917 -10.512 -5.746 314 1HB ASN 42 1HB ASN 42 -2.455 -9.048 -4.213 315 2HB ASN 42 2HB ASN 42 -3.385 -7.687 -4.849 316 1HD2 ASN 42 1HD2 ASN 42 -3.620 -10.872 -3.100 317 2HD2 ASN 42 2HD2 ASN 42 -5.174 -10.496 -2.398 318 H THR 43 H THR 43 -5.451 -10.642 -7.318 319 HA THR 43 HA THR 43 -5.746 -8.333 -9.101 320 HB THR 43 HB THR 43 -6.494 -10.147 -10.645 321 HG1 THR 43 HG1 THR 43 -7.264 -11.602 -9.176 322 1HG2 THR 43 1HG2 THR 43 -4.099 -9.400 -10.398 323 2HG2 THR 43 2HG2 THR 43 -3.834 -10.697 -9.228 324 3HG2 THR 43 3HG2 THR 43 -4.251 -11.091 -10.913 325 H ILE 44 H ILE 44 -7.124 -7.457 -7.104 326 HA ILE 44 HA ILE 44 -9.669 -8.718 -6.767 327 HB ILE 44 HB ILE 44 -10.046 -6.667 -5.363 328 1HG1 ILE 44 1HG1 ILE 44 -7.934 -5.608 -6.683 329 2HG1 ILE 44 2HG1 ILE 44 -8.641 -4.973 -5.236 330 1HG2 ILE 44 1HG2 ILE 44 -7.617 -8.322 -4.843 331 2HG2 ILE 44 2HG2 ILE 44 -8.527 -7.439 -3.605 332 3HG2 ILE 44 3HG2 ILE 44 -9.302 -8.807 -4.445 333 1HD1 ILE 44 1HD1 ILE 44 -6.721 -6.075 -3.997 334 2HD1 ILE 44 2HD1 ILE 44 -6.129 -6.642 -5.588 335 3HD1 ILE 44 3HD1 ILE 44 -6.205 -4.916 -5.222 336 H ALA 45 H ALA 45 -11.472 -8.387 -7.859 337 HA ALA 45 HA ALA 45 -11.639 -6.065 -9.717 338 1HB ALA 45 1HB ALA 45 -12.188 -7.677 -11.536 339 2HB ALA 45 2HB ALA 45 -10.587 -8.011 -10.840 340 3HB ALA 45 3HB ALA 45 -11.975 -9.023 -10.405 341 H ASP 46 H ASP 46 -13.121 -6.298 -7.249 342 HA ASP 46 HA ASP 46 -15.793 -6.048 -8.316 343 1HB ASP 46 1HB ASP 46 -16.879 -7.717 -7.069 344 2HB ASP 46 2HB ASP 46 -15.525 -8.543 -7.839 345 H ALA 47 H ALA 47 -17.293 -5.368 -6.513 346 HA ALA 47 HA ALA 47 -15.913 -4.205 -4.153 347 1HB ALA 47 1HB ALA 47 -17.221 -2.133 -4.451 348 2HB ALA 47 2HB ALA 47 -16.136 -2.409 -5.827 349 3HB ALA 47 3HB ALA 47 -17.875 -2.746 -5.980 350 H HIS 48 H HIS 48 -16.949 -6.523 -3.619 351 HA HIS 48 HA HIS 48 -19.196 -5.816 -1.942 352 1HB HIS 48 1HB HIS 48 -20.732 -7.523 -2.660 353 2HB HIS 48 2HB HIS 48 -20.417 -6.442 -3.976 354 HD1 HIS 48 HD1 HIS 48 -17.574 -8.296 -4.696 355 HD2 HIS 48 HD2 HIS 48 -21.659 -9.340 -4.395 356 HE1 HIS 48 HE1 HIS 48 -17.916 -10.371 -6.127 357 H GLY 49 H GLY 49 -19.812 -7.769 -0.562 358 1HA GLY 49 1HA GLY 49 -19.431 -9.661 0.600 359 2HA GLY 49 2HA GLY 49 -18.033 -10.024 -0.411 360 H THR 50 H THR 50 -18.475 -10.260 2.503 361 HA THR 50 HA THR 50 -16.787 -8.396 3.865 362 HB THR 50 HB THR 50 -17.474 -11.195 4.776 363 HG1 THR 50 HG1 THR 50 -19.458 -10.758 5.059 364 1HG2 THR 50 1HG2 THR 50 -17.852 -10.030 6.957 365 2HG2 THR 50 2HG2 THR 50 -16.196 -9.833 6.373 366 3HG2 THR 50 3HG2 THR 50 -17.361 -8.497 6.217 367 H GLY 51 H GLY 51 -14.730 -9.086 4.943 368 1HA GLY 51 1HA GLY 51 -12.901 -10.573 5.223 369 2HA GLY 51 2HA GLY 51 -13.205 -11.274 3.628 370 HA PRO 52 HA PRO 52 -10.870 -6.964 3.421 371 1HB PRO 52 1HB PRO 52 -8.291 -7.488 4.167 372 2HB PRO 52 2HB PRO 52 -9.523 -6.640 5.170 373 1HG PRO 52 1HG PRO 52 -8.526 -9.450 5.316 374 2HG PRO 52 2HG PRO 52 -9.092 -8.423 6.651 375 1HD PRO 52 1HD PRO 52 -10.659 -10.412 5.570 376 2HD PRO 52 2HD PRO 52 -11.344 -8.912 6.262 377 H LYS 53 H LYS 53 -9.704 -10.298 2.932 378 HA LYS 53 HA LYS 53 -8.469 -11.367 1.431 379 1HB LYS 53 1HB LYS 53 -9.548 -9.233 -0.438 380 2HB LYS 53 2HB LYS 53 -8.656 -10.646 -0.970 381 1HG LYS 53 1HG LYS 53 -10.310 -12.166 -0.327 382 2HG LYS 53 2HG LYS 53 -11.113 -11.044 0.774 383 1HD LYS 53 1HD LYS 53 -11.007 -10.584 -2.228 384 2HD LYS 53 2HD LYS 53 -12.299 -11.499 -1.426 385 1HE LYS 53 1HE LYS 53 -12.902 -9.583 -0.045 386 2HE LYS 53 2HE LYS 53 -11.551 -8.636 -0.677 387 1HZ LYS 53 1HZ LYS 53 -13.752 -9.661 -2.350 388 2HZ LYS 53 2HZ LYS 53 -13.678 -8.118 -1.733 389 3HZ LYS 53 3HZ LYS 53 -12.581 -8.656 -2.847 390 H VAL 54 H VAL 54 -7.842 -8.064 0.358 391 HA VAL 54 HA VAL 54 -5.049 -8.469 -0.147 392 HB VAL 54 HB VAL 54 -5.924 -6.765 -1.393 393 1HG1 VAL 54 1HG1 VAL 54 -7.278 -4.855 -0.669 394 2HG1 VAL 54 2HG1 VAL 54 -8.096 -6.391 -0.500 395 3HG1 VAL 54 3HG1 VAL 54 -7.433 -5.572 0.940 396 1HG2 VAL 54 1HG2 VAL 54 -4.807 -5.187 0.941 397 2HG2 VAL 54 2HG2 VAL 54 -3.850 -6.013 -0.309 398 3HG2 VAL 54 3HG2 VAL 54 -4.918 -4.664 -0.741 399 H VAL 55 H VAL 55 -6.682 -6.602 2.445 400 HA VAL 55 HA VAL 55 -4.322 -6.112 3.951 401 HB VAL 55 HB VAL 55 -6.985 -6.262 5.350 402 1HG1 VAL 55 1HG1 VAL 55 -6.273 -4.083 6.206 403 2HG1 VAL 55 2HG1 VAL 55 -5.054 -5.330 6.492 404 3HG1 VAL 55 3HG1 VAL 55 -4.812 -4.164 5.187 405 1HG2 VAL 55 1HG2 VAL 55 -6.417 -4.346 3.042 406 2HG2 VAL 55 2HG2 VAL 55 -7.836 -5.382 3.254 407 3HG2 VAL 55 3HG2 VAL 55 -7.601 -3.998 4.317 408 H GLN 56 H GLN 56 -6.660 -8.807 4.597 409 HA GLN 56 HA GLN 56 -5.206 -9.848 6.646 410 1HB GLN 56 1HB GLN 56 -7.064 -11.003 4.664 411 2HB GLN 56 2HB GLN 56 -6.006 -12.173 5.432 412 1HG GLN 56 1HG GLN 56 -7.455 -10.153 7.173 413 2HG GLN 56 2HG GLN 56 -8.275 -11.605 6.582 414 1HE2 GLN 56 1HE2 GLN 56 -5.871 -10.382 8.893 415 2HE2 GLN 56 2HE2 GLN 56 -5.410 -11.937 9.515 416 H SER 57 H SER 57 -4.583 -10.419 3.131 417 HA SER 57 HA SER 57 -2.416 -12.229 3.591 418 1HB SER 57 1HB SER 57 -3.677 -10.813 1.283 419 2HB SER 57 2HB SER 57 -1.939 -11.048 1.121 420 HG SER 57 HG SER 57 -2.495 -13.070 0.596 421 H LEU 58 H LEU 58 -2.468 -8.694 3.167 422 HA LEU 58 HA LEU 58 0.459 -8.636 2.904 423 1HB LEU 58 1HB LEU 58 -1.525 -6.404 3.474 424 2HB LEU 58 2HB LEU 58 0.185 -6.259 3.080 425 HG LEU 58 HG LEU 58 -1.980 -7.312 1.216 426 1HD1 LEU 58 1HD1 LEU 58 -2.063 -4.894 1.652 427 2HD1 LEU 58 2HD1 LEU 58 -0.376 -4.729 1.131 428 3HD1 LEU 58 3HD1 LEU 58 -1.622 -5.252 -0.031 429 1HD2 LEU 58 1HD2 LEU 58 0.238 -8.387 0.758 430 2HD2 LEU 58 2HD2 LEU 58 -0.450 -7.420 -0.545 431 3HD2 LEU 58 3HD2 LEU 58 0.871 -6.753 0.422 432 H VAL 59 H VAL 59 -1.937 -8.086 5.455 433 HA VAL 59 HA VAL 59 -0.233 -7.294 7.552 434 HB VAL 59 HB VAL 59 -2.954 -8.544 7.195 435 1HG1 VAL 59 1HG1 VAL 59 -1.696 -7.911 9.907 436 2HG1 VAL 59 2HG1 VAL 59 -3.426 -8.218 9.636 437 3HG1 VAL 59 3HG1 VAL 59 -2.246 -9.506 9.348 438 1HG2 VAL 59 1HG2 VAL 59 -3.765 -6.422 8.068 439 2HG2 VAL 59 2HG2 VAL 59 -2.113 -5.877 8.376 440 3HG2 VAL 59 3HG2 VAL 59 -2.656 -6.136 6.715 441 H SER 60 H SER 60 -0.958 -10.503 6.178 442 HA SER 60 HA SER 60 0.237 -12.085 8.163 443 1HB SER 60 1HB SER 60 -0.711 -12.344 5.416 444 2HB SER 60 2HB SER 60 0.806 -13.223 5.607 445 HG SER 60 HG SER 60 -1.611 -13.503 7.074 446 H LYS 61 H LYS 61 1.783 -9.718 6.184 447 HA LYS 61 HA LYS 61 4.471 -10.978 6.602 448 1HB LYS 61 1HB LYS 61 3.422 -9.115 4.426 449 2HB LYS 61 2HB LYS 61 5.113 -9.492 4.665 450 1HG LYS 61 1HG LYS 61 4.775 -11.114 3.187 451 2HG LYS 61 2HG LYS 61 4.172 -12.013 4.590 452 1HD LYS 61 1HD LYS 61 1.950 -11.763 3.991 453 2HD LYS 61 2HD LYS 61 2.280 -10.417 2.862 454 1HE LYS 61 1HE LYS 61 3.463 -11.888 1.357 455 2HE LYS 61 2HE LYS 61 3.362 -13.240 2.488 456 1HZ LYS 61 1HZ LYS 61 1.025 -13.364 2.124 457 2HZ LYS 61 2HZ LYS 61 1.003 -11.961 1.274 458 3HZ LYS 61 3HZ LYS 61 1.724 -13.306 0.645 459 H GLY 62 H GLY 62 2.892 -9.473 8.592 460 1HA GLY 62 1HA GLY 62 3.312 -7.918 10.186 461 2HA GLY 62 2HA GLY 62 5.026 -8.169 9.770 462 H VAL 63 H VAL 63 2.812 -6.769 7.365 463 HA VAL 63 HA VAL 63 4.456 -4.533 6.981 464 HB VAL 63 HB VAL 63 1.648 -5.395 6.159 465 1HG1 VAL 63 1HG1 VAL 63 3.166 -2.961 5.183 466 2HG1 VAL 63 2HG1 VAL 63 1.740 -3.668 4.390 467 3HG1 VAL 63 3HG1 VAL 63 1.597 -3.016 6.031 468 1HG2 VAL 63 1HG2 VAL 63 3.597 -6.689 5.214 469 2HG2 VAL 63 2HG2 VAL 63 2.654 -5.854 3.983 470 3HG2 VAL 63 3HG2 VAL 63 4.210 -5.193 4.500 471 H GLU 64 H GLU 64 4.721 -2.892 8.379 472 HA GLU 64 HA GLU 64 2.428 -2.013 10.161 473 1HB GLU 64 1HB GLU 64 5.371 -2.408 10.520 474 2HB GLU 64 2HB GLU 64 4.687 -1.088 11.394 475 1HG GLU 64 1HG GLU 64 2.953 -3.422 11.702 476 2HG GLU 64 2HG GLU 64 4.612 -3.820 12.090 477 H TYR 65 H TYR 65 2.619 -1.118 7.500 478 HA TYR 65 HA TYR 65 2.900 1.717 7.565 479 1HB TYR 65 1HB TYR 65 5.136 -0.135 6.619 480 2HB TYR 65 2HB TYR 65 4.801 1.371 5.801 481 HD1 TYR 65 HD1 TYR 65 4.565 3.568 7.472 482 HD2 TYR 65 HD2 TYR 65 6.997 0.045 7.935 483 HE1 TYR 65 HE1 TYR 65 6.119 4.845 8.898 484 HE2 TYR 65 HE2 TYR 65 8.606 1.365 9.343 485 HH TYR 65 HH TYR 65 7.737 4.331 10.700 486 H LEU 66 H LEU 66 2.852 2.322 5.170 487 HA LEU 66 HA LEU 66 2.318 0.568 3.089 488 1HB LEU 66 1HB LEU 66 0.223 -0.092 3.990 489 2HB LEU 66 2HB LEU 66 -0.121 1.520 4.615 490 HG LEU 66 HG LEU 66 -0.475 2.419 2.470 491 1HD1 LEU 66 1HD1 LEU 66 -0.039 1.317 0.405 492 2HD1 LEU 66 2HD1 LEU 66 1.060 0.401 1.361 493 3HD1 LEU 66 3HD1 LEU 66 -0.489 -0.300 1.120 494 1HD2 LEU 66 1HD2 LEU 66 -2.390 1.396 3.613 495 2HD2 LEU 66 2HD2 LEU 66 -2.594 1.341 1.865 496 3HD2 LEU 66 3HD2 LEU 66 -2.128 -0.126 2.766 497 H ILE 67 H ILE 67 2.762 1.853 1.266 498 HA ILE 67 HA ILE 67 2.481 4.805 1.513 499 HB ILE 67 HB ILE 67 3.931 2.941 -0.415 500 1HG1 ILE 67 1HG1 ILE 67 5.135 5.026 1.578 501 2HG1 ILE 67 2HG1 ILE 67 4.781 3.427 2.168 502 1HG2 ILE 67 1HG2 ILE 67 3.589 4.888 -1.691 503 2HG2 ILE 67 2HG2 ILE 67 3.708 5.984 -0.282 504 3HG2 ILE 67 3HG2 ILE 67 5.161 5.238 -0.942 505 1HD1 ILE 67 1HD1 ILE 67 7.084 3.710 1.677 506 2HD1 ILE 67 2HD1 ILE 67 6.334 2.370 0.777 507 3HD1 ILE 67 3HD1 ILE 67 6.715 3.895 -0.051 508 H ALA 68 H ALA 68 0.396 5.406 0.874 509 HA ALA 68 HA ALA 68 -0.482 4.522 -1.772 510 1HB ALA 68 1HB ALA 68 -1.385 2.845 -0.139 511 2HB ALA 68 2HB ALA 68 -2.236 4.140 0.687 512 3HB ALA 68 3HB ALA 68 -2.632 3.729 -1.014 513 H SER 69 H SER 69 -1.079 6.333 -2.685 514 HA SER 69 HA SER 69 -1.404 8.963 -1.617 515 1HB SER 69 1HB SER 69 -2.591 9.447 -3.738 516 2HB SER 69 2HB SER 69 -1.120 8.543 -4.084 517 HG SER 69 HG SER 69 -3.219 7.906 -5.046 518 H ASN 70 H ASN 70 -3.751 6.199 -1.872 519 HA ASN 70 HA ASN 70 -5.676 7.736 -0.436 520 1HB ASN 70 1HB ASN 70 -5.727 7.817 -3.266 521 2HB ASN 70 2HB ASN 70 -6.713 6.407 -2.941 522 1HD2 ASN 70 1HD2 ASN 70 -6.895 9.581 -3.556 523 2HD2 ASN 70 2HD2 ASN 70 -8.457 9.942 -2.811 524 H VAL 71 H VAL 71 -7.756 5.886 -0.641 525 HA VAL 71 HA VAL 71 -6.479 3.213 -0.403 526 HB VAL 71 HB VAL 71 -7.437 4.227 1.729 527 1HG1 VAL 71 1HG1 VAL 71 -9.616 4.130 2.300 528 2HG1 VAL 71 2HG1 VAL 71 -9.772 4.733 0.628 529 3HG1 VAL 71 3HG1 VAL 71 -10.035 3.000 1.022 530 1HG2 VAL 71 1HG2 VAL 71 -8.178 1.439 0.855 531 2HG2 VAL 71 2HG2 VAL 71 -6.650 2.037 1.604 532 3HG2 VAL 71 3HG2 VAL 71 -8.143 2.040 2.528 533 H GLY 72 H GLY 72 -8.473 1.560 -1.048 534 1HA GLY 72 1HA GLY 72 -9.570 2.632 -3.627 535 2HA GLY 72 2HA GLY 72 -9.070 0.970 -3.451 536 H ARG 73 H ARG 73 -10.460 2.830 -0.826 537 HA ARG 73 HA ARG 73 -12.208 2.771 0.488 538 1HB ARG 73 1HB ARG 73 -13.512 2.787 -1.825 539 2HB ARG 73 2HB ARG 73 -14.027 1.176 -1.295 540 1HG ARG 73 1HG ARG 73 -14.842 2.215 0.861 541 2HG ARG 73 2HG ARG 73 -14.227 3.774 0.299 542 1HD ARG 73 1HD ARG 73 -15.804 3.583 -1.676 543 2HD ARG 73 2HD ARG 73 -16.508 2.161 -0.894 544 HE ARG 73 HE ARG 73 -16.433 4.951 0.206 545 1HH1 ARG 73 2HH2 ARG 73 -18.168 1.793 0.148 546 2HH1 ARG 73 1HH2 ARG 73 -19.665 2.558 0.560 547 1HH2 ARG 73 2HH1 ARG 73 -18.242 5.757 1.108 548 2HH2 ARG 73 1HH1 ARG 73 -19.694 4.851 1.300 549 H ASN 74 H ASN 74 -13.915 0.761 1.192 550 HA ASN 74 HA ASN 74 -13.830 -0.926 2.761 551 1HB ASN 74 1HB ASN 74 -14.919 -1.394 0.481 552 2HB ASN 74 2HB ASN 74 -13.522 -2.405 0.120 553 1HD2 ASN 74 1HD2 ASN 74 -13.987 -4.646 0.649 554 2HD2 ASN 74 2HD2 ASN 74 -15.138 -5.064 1.897 555 H ALA 75 H ALA 75 -11.588 -0.376 3.659 556 HA ALA 75 HA ALA 75 -9.977 -2.654 3.996 557 1HB ALA 75 1HB ALA 75 -8.850 -0.634 1.992 558 2HB ALA 75 2HB ALA 75 -7.897 -1.895 2.818 559 3HB ALA 75 3HB ALA 75 -9.168 -2.367 1.697 560 H PHE 76 H PHE 76 -10.132 0.912 4.020 561 HA PHE 76 HA PHE 76 -7.770 1.515 5.423 562 1HB PHE 76 1HB PHE 76 -8.978 3.256 4.404 563 2HB PHE 76 2HB PHE 76 -10.478 2.844 5.207 564 HD1 PHE 76 HD1 PHE 76 -7.020 4.196 5.860 565 HD2 PHE 76 HD2 PHE 76 -11.131 4.019 7.129 566 HE1 PHE 76 HE1 PHE 76 -6.623 6.113 7.381 567 HE2 PHE 76 HE2 PHE 76 -10.746 5.938 8.653 568 HZ PHE 76 HZ PHE 76 -8.519 7.003 8.781 569 H GLU 77 H GLU 77 -10.902 0.505 6.680 570 HA GLU 77 HA GLU 77 -10.306 1.073 9.437 571 1HB GLU 77 1HB GLU 77 -12.334 -0.743 8.105 572 2HB GLU 77 2HB GLU 77 -12.346 -0.267 9.807 573 1HG GLU 77 1HG GLU 77 -12.718 2.037 9.293 574 2HG GLU 77 2HG GLU 77 -12.391 1.827 7.576 575 H THR 78 H THR 78 -9.822 -1.769 7.319 576 HA THR 78 HA THR 78 -9.068 -3.457 9.562 577 HB THR 78 HB THR 78 -8.558 -4.188 6.682 578 HG1 THR 78 HG1 THR 78 -11.074 -4.029 7.970 579 1HG2 THR 78 1HG2 THR 78 -9.734 -5.696 9.075 580 2HG2 THR 78 2HG2 THR 78 -9.313 -6.379 7.491 581 3HG2 THR 78 3HG2 THR 78 -8.041 -5.765 8.555 582 H LEU 79 H LEU 79 -7.491 -1.039 7.686 583 HA LEU 79 HA LEU 79 -4.754 -2.059 7.983 584 1HB LEU 79 1HB LEU 79 -5.851 0.687 7.323 585 2HB LEU 79 2HB LEU 79 -4.151 0.351 7.492 586 HG LEU 79 HG LEU 79 -5.934 -1.127 5.518 587 1HD1 LEU 79 1HD1 LEU 79 -4.101 1.247 5.088 588 2HD1 LEU 79 2HD1 LEU 79 -4.744 0.273 3.767 589 3HD1 LEU 79 3HD1 LEU 79 -5.837 1.195 4.796 590 1HD2 LEU 79 1HD2 LEU 79 -4.015 -2.147 4.624 591 2HD2 LEU 79 2HD2 LEU 79 -2.931 -0.950 5.239 592 3HD2 LEU 79 3HD2 LEU 79 -3.600 -2.170 6.318 593 H LYS 80 H LYS 80 -6.675 0.476 9.647 594 HA LYS 80 HA LYS 80 -4.832 0.752 11.807 595 1HB LYS 80 1HB LYS 80 -6.901 1.740 12.906 596 2HB LYS 80 2HB LYS 80 -6.171 2.521 11.498 597 1HG LYS 80 1HG LYS 80 -8.132 1.070 10.288 598 2HG LYS 80 2HG LYS 80 -8.879 1.272 11.862 599 1HD LYS 80 1HD LYS 80 -9.539 2.990 10.197 600 2HD LYS 80 2HD LYS 80 -8.733 3.736 11.588 601 1HE LYS 80 1HE LYS 80 -6.942 2.858 9.352 602 2HE LYS 80 2HE LYS 80 -8.150 4.028 8.886 603 1HZ LYS 80 1HZ LYS 80 -6.084 5.076 9.615 604 2HZ LYS 80 2HZ LYS 80 -7.327 5.520 10.637 605 3HZ LYS 80 3HZ LYS 80 -6.232 4.436 11.112 606 H ALA 81 H ALA 81 -7.539 -1.489 11.305 607 HA ALA 81 HA ALA 81 -7.694 -2.596 13.842 608 1HB ALA 81 1HB ALA 81 -8.420 -4.658 12.847 609 2HB ALA 81 2HB ALA 81 -9.024 -3.330 11.841 610 3HB ALA 81 3HB ALA 81 -7.626 -4.296 11.312 611 H ALA 82 H ALA 82 -5.287 -3.537 11.280 612 HA ALA 82 HA ALA 82 -3.740 -5.025 13.319 613 1HB ALA 82 1HB ALA 82 -3.418 -4.465 10.333 614 2HB ALA 82 2HB ALA 82 -2.274 -5.442 11.251 615 3HB ALA 82 3HB ALA 82 -3.958 -5.980 11.087 616 H GLY 83 H GLY 83 -4.075 -2.116 13.674 617 1HA GLY 83 1HA GLY 83 -3.033 -0.180 13.974 618 2HA GLY 83 2HA GLY 83 -1.765 -1.159 14.722 619 H VAL 84 H VAL 84 -2.627 -0.926 11.186 620 HA VAL 84 HA VAL 84 0.205 -0.517 10.680 621 HB VAL 84 HB VAL 84 -2.049 -0.787 8.666 622 1HG1 VAL 84 1HG1 VAL 84 0.871 -1.594 8.504 623 2HG1 VAL 84 2HG1 VAL 84 -0.289 -1.658 7.185 624 3HG1 VAL 84 3HG1 VAL 84 0.281 -0.096 7.807 625 1HG2 VAL 84 1HG2 VAL 84 -0.458 -2.990 10.050 626 2HG2 VAL 84 2HG2 VAL 84 -2.190 -2.697 10.153 627 3HG2 VAL 84 3HG2 VAL 84 -1.495 -3.225 8.621 628 H LYS 85 H LYS 85 1.230 1.287 9.947 629 HA LYS 85 HA LYS 85 -0.301 3.726 9.867 630 1HB LYS 85 1HB LYS 85 2.561 2.947 9.912 631 2HB LYS 85 2HB LYS 85 2.270 4.336 8.873 632 1HG LYS 85 1HG LYS 85 1.360 5.651 10.612 633 2HG LYS 85 2HG LYS 85 1.146 4.257 11.694 634 1HD LYS 85 1HD LYS 85 3.532 3.943 11.861 635 2HD LYS 85 2HD LYS 85 3.858 5.272 10.742 636 1HE LYS 85 1HE LYS 85 3.371 6.906 12.332 637 2HE LYS 85 2HE LYS 85 2.239 5.870 13.198 638 1HZ LYS 85 1HZ LYS 85 5.144 5.392 13.250 639 2HZ LYS 85 2HZ LYS 85 4.390 6.298 14.371 640 3HZ LYS 85 3HZ LYS 85 3.998 4.690 14.185 641 H VAL 86 H VAL 86 -0.042 5.261 7.846 642 HA VAL 86 HA VAL 86 0.058 3.853 5.238 643 HB VAL 86 HB VAL 86 -2.290 5.515 6.243 644 1HG1 VAL 86 1HG1 VAL 86 -1.782 5.982 3.858 645 2HG1 VAL 86 2HG1 VAL 86 -1.716 4.252 3.508 646 3HG1 VAL 86 3HG1 VAL 86 -3.254 5.029 3.999 647 1HG2 VAL 86 1HG2 VAL 86 -3.589 3.418 5.819 648 2HG2 VAL 86 2HG2 VAL 86 -2.072 2.621 5.369 649 3HG2 VAL 86 3HG2 VAL 86 -2.338 3.101 7.033 650 H TYR 87 H TYR 87 1.102 5.328 3.805 651 HA TYR 87 HA TYR 87 1.450 8.136 4.631 652 1HB TYR 87 1HB TYR 87 3.225 6.073 3.297 653 2HB TYR 87 2HB TYR 87 3.380 7.707 2.757 654 HD1 TYR 87 HD1 TYR 87 4.883 9.071 3.821 655 HD2 TYR 87 HD2 TYR 87 3.260 5.816 6.076 656 HE1 TYR 87 HE1 TYR 87 6.514 9.552 5.591 657 HE2 TYR 87 HE2 TYR 87 4.866 6.299 7.904 658 HH TYR 87 HH TYR 87 7.530 8.656 7.551 659 H ARG 88 H ARG 88 1.515 9.588 2.933 660 HA ARG 88 HA ARG 88 -0.327 9.115 0.669 661 1HB ARG 88 1HB ARG 88 -0.264 11.322 1.982 662 2HB ARG 88 2HB ARG 88 1.400 11.511 1.476 663 1HG ARG 88 1HG ARG 88 0.557 12.780 -0.180 664 2HG ARG 88 2HG ARG 88 0.259 11.257 -0.983 665 1HD ARG 88 1HD ARG 88 -1.713 12.509 -1.194 666 2HD ARG 88 2HD ARG 88 -2.061 11.240 -0.019 667 HE ARG 88 HE ARG 88 -1.383 13.172 1.688 668 1HH1 ARG 88 2HH2 ARG 88 -3.203 13.871 -1.295 669 2HH1 ARG 88 1HH2 ARG 88 -4.306 14.935 -0.496 670 1HH2 ARG 88 2HH1 ARG 88 -2.587 14.796 2.576 671 2HH2 ARG 88 1HH1 ARG 88 -3.876 15.570 1.715 672 H PHE 89 H PHE 89 0.582 8.871 -1.423 673 HA PHE 89 HA PHE 89 3.369 9.564 -1.848 674 1HB PHE 89 1HB PHE 89 3.984 7.518 -2.514 675 2HB PHE 89 2HB PHE 89 2.411 6.876 -2.123 676 HD1 PHE 89 HD1 PHE 89 4.642 7.302 -4.991 677 HD2 PHE 89 HD2 PHE 89 0.493 7.224 -3.755 678 HE1 PHE 89 HE1 PHE 89 3.949 6.895 -7.238 679 HE2 PHE 89 HE2 PHE 89 -0.204 6.921 -6.122 680 HZ PHE 89 HZ PHE 89 1.546 6.775 -7.897 681 H GLU 90 H GLU 90 3.517 10.387 -4.220 682 HA GLU 90 HA GLU 90 0.865 11.022 -5.316 683 1HB GLU 90 1HB GLU 90 1.507 12.830 -3.604 684 2HB GLU 90 2HB GLU 90 2.751 13.311 -4.771 685 1HG GLU 90 1HG GLU 90 0.664 13.153 -6.475 686 2HG GLU 90 2HG GLU 90 -0.261 13.338 -4.984 687 H GLY 91 H GLY 91 1.718 9.487 -6.771 688 1HA GLY 91 1HA GLY 91 2.210 9.164 -9.021 689 2HA GLY 91 2HA GLY 91 2.892 10.802 -9.113 690 H GLY 92 H GLY 92 3.916 7.930 -9.837 691 1HA GLY 92 1HA GLY 92 6.578 8.151 -9.727 692 2HA GLY 92 2HA GLY 92 6.187 7.660 -8.064 693 H THR 93 H THR 93 7.751 6.087 -9.580 694 HA THR 93 HA THR 93 6.123 3.723 -10.241 695 HB THR 93 HB THR 93 8.364 2.718 -10.689 696 HG1 THR 93 HG1 THR 93 9.364 5.348 -10.737 697 1HG2 THR 93 1HG2 THR 93 7.773 5.221 -12.317 698 2HG2 THR 93 2HG2 THR 93 8.698 3.797 -12.851 699 3HG2 THR 93 3HG2 THR 93 6.965 3.664 -12.500 700 H VAL 94 H VAL 94 6.824 1.673 -9.081 701 HA VAL 94 HA VAL 94 6.547 1.719 -6.401 702 HB VAL 94 HB VAL 94 8.200 -0.227 -8.030 703 1HG1 VAL 94 1HG1 VAL 94 7.076 -0.634 -5.230 704 2HG1 VAL 94 2HG1 VAL 94 7.937 -1.817 -6.259 705 3HG1 VAL 94 3HG1 VAL 94 8.795 -0.424 -5.607 706 1HG2 VAL 94 1HG2 VAL 94 6.154 -1.573 -7.915 707 2HG2 VAL 94 2HG2 VAL 94 5.340 -0.278 -6.996 708 3HG2 VAL 94 3HG2 VAL 94 5.815 -0.031 -8.684 709 H GLN 95 H GLN 95 9.808 2.176 -7.927 710 HA GLN 95 HA GLN 95 11.081 2.340 -5.452 711 1HB GLN 95 1HB GLN 95 12.164 2.119 -7.745 712 2HB GLN 95 2HB GLN 95 11.923 3.852 -7.966 713 1HG GLN 95 1HG GLN 95 13.451 4.429 -6.278 714 2HG GLN 95 2HG GLN 95 13.282 2.895 -5.451 715 1HE2 GLN 95 1HE2 GLN 95 15.755 3.199 -5.390 716 2HE2 GLN 95 2HE2 GLN 95 16.552 2.382 -6.713 717 H GLU 96 H GLU 96 9.198 4.828 -6.936 718 HA GLU 96 HA GLU 96 10.494 7.148 -5.715 719 1HB GLU 96 1HB GLU 96 7.864 6.597 -7.099 720 2HB GLU 96 2HB GLU 96 8.266 8.200 -6.510 721 1HG GLU 96 1HG GLU 96 9.793 6.641 -8.655 722 2HG GLU 96 2HG GLU 96 8.593 7.892 -8.943 723 H ALA 97 H ALA 97 7.500 5.111 -5.176 724 HA ALA 97 HA ALA 97 6.566 6.391 -2.908 725 1HB ALA 97 1HB ALA 97 6.035 3.839 -2.274 726 2HB ALA 97 2HB ALA 97 5.304 4.562 -3.726 727 3HB ALA 97 3HB ALA 97 6.724 3.502 -3.837 728 H ILE 98 H ILE 98 9.435 4.317 -3.156 729 HA ILE 98 HA ILE 98 9.761 4.161 -0.246 730 HB ILE 98 HB ILE 98 11.811 3.333 -2.335 731 1HG1 ILE 98 1HG1 ILE 98 9.981 2.560 -3.312 732 2HG1 ILE 98 2HG1 ILE 98 10.813 1.169 -2.617 733 1HG2 ILE 98 1HG2 ILE 98 10.977 2.151 0.377 734 2HG2 ILE 98 2HG2 ILE 98 12.236 1.479 -0.687 735 3HG2 ILE 98 3HG2 ILE 98 12.458 3.071 0.038 736 1HD1 ILE 98 1HD1 ILE 98 8.465 0.855 -2.399 737 2HD1 ILE 98 2HD1 ILE 98 9.141 1.101 -0.770 738 3HD1 ILE 98 3HD1 ILE 98 8.213 2.404 -1.559 739 H ASP 99 H ASP 99 11.550 5.470 -3.078 740 HA ASP 99 HA ASP 99 13.674 6.724 -1.670 741 1HB ASP 99 1HB ASP 99 12.500 6.817 -4.448 742 2HB ASP 99 2HB ASP 99 13.504 8.157 -3.977 743 H ALA 100 H ALA 100 10.411 7.642 -2.332 744 HA ALA 100 HA ALA 100 10.821 10.406 -1.457 745 1HB ALA 100 1HB ALA 100 8.237 8.828 -1.778 746 2HB ALA 100 2HB ALA 100 8.413 10.605 -1.600 747 3HB ALA 100 3HB ALA 100 9.024 9.781 -3.039 748 H PHE 101 H PHE 101 9.195 7.506 0.040 749 HA PHE 101 HA PHE 101 8.785 8.643 2.593 750 1HB PHE 101 1HB PHE 101 7.636 6.688 2.187 751 2HB PHE 101 2HB PHE 101 9.018 5.842 1.501 752 HD1 PHE 101 HD1 PHE 101 7.784 7.185 4.799 753 HD2 PHE 101 HD2 PHE 101 10.229 4.259 2.771 754 HE1 PHE 101 HE1 PHE 101 8.238 6.055 6.964 755 HE2 PHE 101 HE2 PHE 101 10.681 3.153 4.928 756 HZ PHE 101 HZ PHE 101 9.738 4.063 7.036 757 H SER 102 H SER 102 11.566 6.773 1.439 758 HA SER 102 HA SER 102 12.775 6.379 3.990 759 1HB SER 102 1HB SER 102 14.651 5.529 2.635 760 2HB SER 102 2HB SER 102 13.058 4.857 2.123 761 HG SER 102 HG SER 102 13.061 6.121 0.391 762 H GLU 103 H GLU 103 12.965 8.949 1.601 763 HA GLU 103 HA GLU 103 14.969 10.423 3.254 764 1HB GLU 103 1HB GLU 103 14.071 10.802 0.372 765 2HB GLU 103 2HB GLU 103 15.413 11.626 1.148 766 1HG GLU 103 1HG GLU 103 15.414 8.585 0.764 767 2HG GLU 103 2HG GLU 103 15.922 9.658 -0.486 768 H GLY 104 H GLY 104 12.219 10.021 3.932 769 1HA GLY 104 1HA GLY 104 10.532 11.071 4.866 770 2HA GLY 104 2HA GLY 104 11.689 12.418 5.073 771 H ARG 105 H ARG 105 10.882 11.818 1.730 772 HA ARG 105 HA ARG 105 9.450 14.398 1.601 773 1HB ARG 105 1HB ARG 105 10.184 12.289 -0.500 774 2HB ARG 105 2HB ARG 105 9.418 13.818 -0.861 775 1HG ARG 105 1HG ARG 105 11.452 15.001 0.012 776 2HG ARG 105 2HG ARG 105 12.243 13.410 0.106 777 1HD ARG 105 1HD ARG 105 12.765 13.551 -2.065 778 2HD ARG 105 2HD ARG 105 11.076 13.469 -2.475 779 HE ARG 105 HE ARG 105 12.774 15.589 -2.936 780 1HH1 ARG 105 2HH2 ARG 105 9.464 15.268 -1.753 781 2HH1 ARG 105 1HH2 ARG 105 9.095 16.942 -1.716 782 1HH2 ARG 105 2HH1 ARG 105 12.332 17.789 -3.075 783 2HH2 ARG 105 1HH1 ARG 105 10.845 18.470 -2.560 784 H LEU 106 H LEU 106 7.956 12.183 3.051 785 HA LEU 106 HA LEU 106 5.592 12.395 1.361 786 1HB LEU 106 1HB LEU 106 6.589 9.795 2.571 787 2HB LEU 106 2HB LEU 106 4.955 10.038 1.998 788 HG LEU 106 HG LEU 106 7.448 9.898 0.371 789 1HD1 LEU 106 1HD1 LEU 106 6.579 7.827 -0.402 790 2HD1 LEU 106 2HD1 LEU 106 6.167 7.828 1.324 791 3HD1 LEU 106 3HD1 LEU 106 4.937 8.182 0.142 792 1HD2 LEU 106 1HD2 LEU 106 5.666 9.762 -1.626 793 2HD2 LEU 106 2HD2 LEU 106 4.676 10.757 -0.532 794 3HD2 LEU 106 3HD2 LEU 106 6.240 11.329 -1.099 795 H GLU 107 H GLU 107 3.680 11.499 2.807 796 HA GLU 107 HA GLU 107 3.840 12.872 5.446 797 1HB GLU 107 1HB GLU 107 1.609 12.896 3.346 798 2HB GLU 107 2HB GLU 107 1.687 13.863 4.823 799 1HG GLU 107 1HG GLU 107 3.560 14.123 2.427 800 2HG GLU 107 2HG GLU 107 2.229 15.209 2.835 801 H GLU 108 H GLU 108 2.304 11.898 7.086 802 HA GLU 108 HA GLU 108 1.721 9.090 6.495 803 1HB GLU 108 1HB GLU 108 2.830 10.360 8.640 804 2HB GLU 108 2HB GLU 108 1.148 10.278 9.170 805 1HG GLU 108 1HG GLU 108 1.231 7.791 8.701 806 2HG GLU 108 2HG GLU 108 2.893 7.978 8.212 807 H LEU 109 H LEU 109 -0.073 8.828 5.352 808 HA LEU 109 HA LEU 109 -2.372 10.628 5.642 809 1HB LEU 109 1HB LEU 109 -1.527 9.932 3.384 810 2HB LEU 109 2HB LEU 109 -1.975 8.281 3.784 811 HG LEU 109 HG LEU 109 -4.378 9.516 4.280 812 1HD1 LEU 109 1HD1 LEU 109 -4.915 11.152 2.632 813 2HD1 LEU 109 2HD1 LEU 109 -3.578 11.766 3.630 814 3HD1 LEU 109 3HD1 LEU 109 -3.256 11.130 1.995 815 1HD2 LEU 109 1HD2 LEU 109 -5.161 8.793 2.212 816 2HD2 LEU 109 2HD2 LEU 109 -3.483 8.597 1.582 817 3HD2 LEU 109 3HD2 LEU 109 -4.070 7.604 2.952 818 H THR 110 H THR 110 -2.240 9.492 8.099 819 HA THR 110 HA THR 110 -3.600 6.880 8.055 820 HB THR 110 HB THR 110 -3.233 7.159 10.559 821 HG1 THR 110 HG1 THR 110 -2.052 8.889 11.234 822 1HG2 THR 110 1HG2 THR 110 -0.761 6.945 10.417 823 2HG2 THR 110 2HG2 THR 110 -1.595 5.970 9.190 824 3HG2 THR 110 3HG2 THR 110 -0.832 7.510 8.735 825 H THR 111 H THR 111 -5.129 9.057 6.916 826 HA THR 111 HA THR 111 -7.614 8.890 8.322 827 HB THR 111 HB THR 111 -7.854 11.442 8.317 828 HG1 THR 111 HG1 THR 111 -5.030 11.363 8.577 829 1HG2 THR 111 1HG2 THR 111 -7.708 10.068 10.417 830 2HG2 THR 111 2HG2 THR 111 -5.968 10.457 10.471 831 3HG2 THR 111 3HG2 THR 111 -7.170 11.751 10.560 832 H PHE 112 H PHE 112 -9.283 9.438 6.833 833 HA PHE 112 HA PHE 112 -8.554 10.518 4.178 834 1HB PHE 112 1HB PHE 112 -10.426 8.227 4.894 835 2HB PHE 112 2HB PHE 112 -10.510 9.138 3.380 836 HD1 PHE 112 HD1 PHE 112 -8.153 7.122 5.423 837 HD2 PHE 112 HD2 PHE 112 -9.145 8.718 1.572 838 HE1 PHE 112 HE1 PHE 112 -6.205 5.890 4.428 839 HE2 PHE 112 HE2 PHE 112 -7.325 7.514 0.598 840 HZ PHE 112 HZ PHE 112 -5.788 6.070 1.996 841 H THR 113 H THR 113 -10.052 11.991 3.382 842 HA THR 113 HA THR 113 -12.513 12.576 4.914 843 HB THR 113 HB THR 113 -11.786 14.960 4.813 844 HG1 THR 113 HG1 THR 113 -9.612 15.416 4.725 845 1HG2 THR 113 1HG2 THR 113 -9.922 13.304 6.602 846 2HG2 THR 113 2HG2 THR 113 -10.632 14.878 6.963 847 3HG2 THR 113 3HG2 THR 113 -11.658 13.448 6.919 848 H ARG 114 H ARG 114 -13.119 11.429 2.825 849 HA ARG 114 HA ARG 114 -13.752 13.455 0.841 850 1HB ARG 114 1HB ARG 114 -11.703 12.608 -0.062 851 2HB ARG 114 2HB ARG 114 -12.278 10.936 0.025 852 1HG ARG 114 1HG ARG 114 -12.561 11.664 -2.273 853 2HG ARG 114 2HG ARG 114 -14.157 11.492 -1.555 854 1HD ARG 114 1HD ARG 114 -14.242 13.520 -2.770 855 2HD ARG 114 2HD ARG 114 -14.104 14.017 -1.088 856 HE ARG 114 HE ARG 114 -11.573 13.609 -2.518 857 1HH1 ARG 114 2HH2 ARG 114 -14.039 16.163 -2.056 858 2HH1 ARG 114 1HH2 ARG 114 -12.890 17.438 -2.051 859 1HH2 ARG 114 2HH1 ARG 114 -10.095 15.295 -2.709 860 2HH2 ARG 114 1HH1 ARG 114 -10.616 16.930 -2.782 861 H GLU 115 H GLU 115 -15.779 13.394 1.438 862 HA GLU 115 HA GLU 115 -17.271 10.874 1.490 863 1HB GLU 115 1HB GLU 115 -17.481 12.836 3.051 864 2HB GLU 115 2HB GLU 115 -18.256 13.765 1.766 865 1HG GLU 115 1HG GLU 115 -20.182 12.408 1.770 866 2HG GLU 115 2HG GLU 115 -19.317 11.019 2.305 867 H GLY 116 H GLY 116 -16.649 10.367 -0.778 868 1HA GLY 116 1HA GLY 116 -18.610 11.270 -2.716 869 2HA GLY 116 2HA GLY 116 -16.966 11.860 -3.042 Start of MODEL 20 1 1H MET 1 H1 MET 1 11.953 1.276 11.800 2 HA MET 1 HA MET 1 12.459 -0.658 9.615 3 1HB MET 1 1HB MET 1 13.365 -0.693 12.442 4 2HB MET 1 2HB MET 1 12.507 -2.140 11.969 5 1HG MET 1 1HG MET 1 14.689 -2.658 11.582 6 2HG MET 1 2HG MET 1 14.040 -2.346 9.976 7 1HE MET 1 1HE MET 1 17.922 -1.408 10.136 8 2HE MET 1 2HE MET 1 17.155 -2.477 11.327 9 3HE MET 1 3HE MET 1 16.747 -2.625 9.606 10 H ALA 2 H ALA 2 10.376 -0.993 8.779 11 HA ALA 2 HA ALA 2 9.126 -2.983 10.151 12 1HB ALA 2 1HB ALA 2 7.211 -2.234 11.035 13 2HB ALA 2 2HB ALA 2 7.728 -0.572 10.769 14 3HB ALA 2 3HB ALA 2 6.769 -1.406 9.532 15 H ARG 3 H ARG 3 7.358 -3.980 8.746 16 HA ARG 3 HA ARG 3 8.369 -3.899 5.970 17 1HB ARG 3 1HB ARG 3 6.113 -5.396 7.377 18 2HB ARG 3 2HB ARG 3 6.455 -5.510 5.652 19 1HG ARG 3 1HG ARG 3 8.769 -6.311 6.235 20 2HG ARG 3 2HG ARG 3 8.358 -6.212 7.953 21 1HD ARG 3 1HD ARG 3 6.432 -7.792 7.416 22 2HD ARG 3 2HD ARG 3 7.243 -8.072 5.852 23 HE ARG 3 HE ARG 3 8.454 -8.578 8.553 24 1HH1 ARG 3 2HH2 ARG 3 8.398 -9.515 5.252 25 2HH1 ARG 3 1HH2 ARG 3 8.811 -11.150 5.430 26 1HH2 ARG 3 2HH1 ARG 3 9.304 -10.647 8.924 27 2HH2 ARG 3 1HH1 ARG 3 9.355 -11.847 7.674 28 H VAL 4 H VAL 4 7.404 -2.896 4.332 29 HA VAL 4 HA VAL 4 4.960 -1.286 4.855 30 HB VAL 4 HB VAL 4 7.483 -0.387 4.498 31 1HG1 VAL 4 1HG1 VAL 4 8.090 0.132 2.282 32 2HG1 VAL 4 2HG1 VAL 4 7.597 -1.557 2.251 33 3HG1 VAL 4 3HG1 VAL 4 6.480 -0.303 1.659 34 1HG2 VAL 4 1HG2 VAL 4 6.440 1.707 3.277 35 2HG2 VAL 4 2HG2 VAL 4 4.942 0.942 3.850 36 3HG2 VAL 4 3HG2 VAL 4 6.300 1.342 4.967 37 H ALA 5 H ALA 5 3.496 -1.156 2.848 38 HA ALA 5 HA ALA 5 4.244 -3.180 0.802 39 1HB ALA 5 1HB ALA 5 1.454 -2.719 1.920 40 2HB ALA 5 2HB ALA 5 1.850 -3.663 0.462 41 3HB ALA 5 3HB ALA 5 2.450 -4.207 2.024 42 H ILE 6 H ILE 6 3.945 -2.385 -1.275 43 HA ILE 6 HA ILE 6 2.826 0.355 -1.503 44 HB ILE 6 HB ILE 6 5.107 -0.694 -3.165 45 1HG1 ILE 6 1HG1 ILE 6 6.278 1.242 -1.743 46 2HG1 ILE 6 2HG1 ILE 6 5.153 0.738 -0.495 47 1HG2 ILE 6 1HG2 ILE 6 3.579 1.123 -4.030 48 2HG2 ILE 6 2HG2 ILE 6 4.095 2.128 -2.685 49 3HG2 ILE 6 3HG2 ILE 6 5.296 1.567 -3.874 50 1HD1 ILE 6 1HD1 ILE 6 6.112 -1.464 -0.399 51 2HD1 ILE 6 2HD1 ILE 6 7.019 -1.216 -1.922 52 3HD1 ILE 6 3HD1 ILE 6 7.459 -0.345 -0.449 53 HA PRO 7 HA PRO 7 0.076 -1.971 -4.292 54 1HB PRO 7 1HB PRO 7 -1.510 0.172 -4.961 55 2HB PRO 7 2HB PRO 7 -1.608 -0.659 -3.369 56 1HG PRO 7 1HG PRO 7 -0.342 1.966 -4.078 57 2HG PRO 7 2HG PRO 7 -1.136 1.508 -2.539 58 1HD PRO 7 1HD PRO 7 1.504 1.487 -3.113 59 2HD PRO 7 2HD PRO 7 0.746 0.676 -1.684 60 H SER 8 H SER 8 1.338 -2.485 -6.028 61 HA SER 8 HA SER 8 2.232 -0.401 -7.979 62 1HB SER 8 1HB SER 8 3.936 -1.937 -7.158 63 2HB SER 8 2HB SER 8 2.938 -3.334 -7.536 64 HG SER 8 HG SER 8 4.236 -3.205 -9.235 65 H VAL 9 H VAL 9 1.856 -1.240 -10.284 66 HA VAL 9 HA VAL 9 -0.488 -3.095 -10.628 67 HB VAL 9 HB VAL 9 -1.106 -1.820 -12.672 68 1HG1 VAL 9 1HG1 VAL 9 -1.064 0.119 -10.360 69 2HG1 VAL 9 2HG1 VAL 9 -2.236 0.027 -11.670 70 3HG1 VAL 9 3HG1 VAL 9 -2.192 -1.263 -10.449 71 1HG2 VAL 9 1HG2 VAL 9 -0.249 0.354 -13.203 72 2HG2 VAL 9 2HG2 VAL 9 0.714 0.446 -11.719 73 3HG2 VAL 9 3HG2 VAL 9 1.179 -0.690 -12.997 74 H GLY 10 H GLY 10 2.372 -3.737 -10.400 75 1HA GLY 10 1HA GLY 10 2.402 -5.650 -12.380 76 2HA GLY 10 2HA GLY 10 3.451 -4.363 -12.972 77 H LYS 11 H LYS 11 4.802 -6.483 -12.705 78 HA LYS 11 HA LYS 11 5.482 -7.195 -9.908 79 1HB LYS 11 1HB LYS 11 5.766 -8.573 -12.607 80 2HB LYS 11 2HB LYS 11 6.450 -9.248 -11.096 81 1HG LYS 11 1HG LYS 11 4.253 -9.502 -10.213 82 2HG LYS 11 2HG LYS 11 3.570 -8.615 -11.602 83 1HD LYS 11 1HD LYS 11 5.246 -10.990 -12.263 84 2HD LYS 11 2HD LYS 11 3.719 -11.355 -11.450 85 1HE LYS 11 1HE LYS 11 2.399 -10.460 -13.139 86 2HE LYS 11 2HE LYS 11 3.677 -9.378 -13.723 87 1HZ LYS 11 1HZ LYS 11 4.751 -11.093 -14.792 88 2HZ LYS 11 2HZ LYS 11 3.939 -12.298 -14.030 89 3HZ LYS 11 3HZ LYS 11 3.205 -11.346 -15.173 90 H ASP 12 H ASP 12 6.597 -4.726 -10.757 91 HA ASP 12 HA ASP 12 9.494 -5.394 -10.862 92 1HB ASP 12 1HB ASP 12 7.934 -4.055 -12.948 93 2HB ASP 12 2HB ASP 12 9.137 -2.996 -12.337 94 H LEU 13 H LEU 13 10.747 -3.795 -10.057 95 HA LEU 13 HA LEU 13 9.615 -2.161 -7.876 96 1HB LEU 13 1HB LEU 13 11.693 -3.726 -7.932 97 2HB LEU 13 2HB LEU 13 12.525 -2.411 -8.698 98 HG LEU 13 HG LEU 13 13.067 -2.548 -6.385 99 1HD1 LEU 13 1HD1 LEU 13 12.800 -0.226 -7.394 100 2HD1 LEU 13 2HD1 LEU 13 11.289 -0.098 -6.471 101 3HD1 LEU 13 3HD1 LEU 13 12.816 -0.334 -5.619 102 1HD2 LEU 13 1HD2 LEU 13 10.943 -3.674 -5.634 103 2HD2 LEU 13 2HD2 LEU 13 11.601 -2.461 -4.550 104 3HD2 LEU 13 3HD2 LEU 13 10.197 -2.055 -5.568 105 H SER 14 H SER 14 10.065 -1.769 -11.175 106 HA SER 14 HA SER 14 9.704 1.160 -10.787 107 1HB SER 14 1HB SER 14 10.766 1.311 -13.057 108 2HB SER 14 2HB SER 14 11.888 1.088 -11.695 109 HG SER 14 HG SER 14 12.206 -0.324 -13.652 110 H SER 15 H SER 15 7.773 -1.099 -10.916 111 HA SER 15 HA SER 15 6.427 -0.167 -13.377 112 1HB SER 15 1HB SER 15 5.540 -2.011 -11.092 113 2HB SER 15 2HB SER 15 4.406 -1.434 -12.320 114 HG SER 15 HG SER 15 5.881 -2.293 -13.903 115 H MET 16 H MET 16 4.117 0.843 -12.930 116 HA MET 16 HA MET 16 4.588 3.196 -11.320 117 1HB MET 16 1HB MET 16 2.375 2.149 -13.073 118 2HB MET 16 2HB MET 16 1.946 3.331 -11.872 119 1HG MET 16 1HG MET 16 4.278 4.428 -12.962 120 2HG MET 16 2HG MET 16 3.532 3.646 -14.348 121 1HE MET 16 1HE MET 16 1.712 7.003 -11.720 122 2HE MET 16 2HE MET 16 1.299 5.314 -11.333 123 3HE MET 16 3HE MET 16 3.007 5.839 -11.287 124 H VAL 17 H VAL 17 3.791 3.802 -9.352 125 HA VAL 17 HA VAL 17 2.534 1.841 -7.581 126 HB VAL 17 HB VAL 17 3.101 4.804 -7.299 127 1HG1 VAL 17 1HG1 VAL 17 1.363 4.235 -5.652 128 2HG1 VAL 17 2HG1 VAL 17 2.298 2.817 -5.130 129 3HG1 VAL 17 3HG1 VAL 17 2.920 4.457 -4.834 130 1HG2 VAL 17 1HG2 VAL 17 4.622 2.742 -5.771 131 2HG2 VAL 17 2HG2 VAL 17 5.064 3.203 -7.418 132 3HG2 VAL 17 3HG2 VAL 17 5.028 4.423 -6.155 133 H SER 18 H SER 18 0.413 2.133 -6.849 134 HA SER 18 HA SER 18 -1.388 3.267 -8.914 135 1HB SER 18 1HB SER 18 -0.942 0.721 -8.346 136 2HB SER 18 2HB SER 18 -2.005 1.027 -6.998 137 HG SER 18 HG SER 18 -3.599 1.145 -8.263 138 H ASP 19 H ASP 19 -3.519 4.058 -8.200 139 HA ASP 19 HA ASP 19 -3.017 5.644 -5.749 140 1HB ASP 19 1HB ASP 19 -4.654 5.935 -8.295 141 2HB ASP 19 2HB ASP 19 -4.968 6.982 -6.936 142 H ARG 20 H ARG 20 -4.118 2.902 -5.587 143 HA ARG 20 HA ARG 20 -6.491 3.615 -3.909 144 1HB ARG 20 1HB ARG 20 -6.567 1.678 -6.310 145 2HB ARG 20 2HB ARG 20 -7.755 1.657 -5.141 146 1HG ARG 20 1HG ARG 20 -8.429 3.971 -5.892 147 2HG ARG 20 2HG ARG 20 -7.034 3.964 -6.997 148 1HD ARG 20 1HD ARG 20 -7.917 1.993 -8.164 149 2HD ARG 20 2HD ARG 20 -9.393 2.106 -7.174 150 HE ARG 20 HE ARG 20 -8.278 4.379 -8.774 151 1HH1 ARG 20 2HH2 ARG 20 -11.204 2.268 -8.451 152 2HH1 ARG 20 1HH2 ARG 20 -12.250 3.529 -8.882 153 1HH2 ARG 20 2HH1 ARG 20 -9.655 5.810 -9.806 154 2HH2 ARG 20 1HH1 ARG 20 -11.365 5.543 -9.759 155 H PHE 21 H PHE 21 -5.570 2.633 -2.043 156 HA PHE 21 HA PHE 21 -4.045 0.379 -2.015 157 1HB PHE 21 1HB PHE 21 -4.461 1.787 -0.050 158 2HB PHE 21 2HB PHE 21 -6.131 1.186 -0.015 159 HD1 PHE 21 HD1 PHE 21 -3.009 -0.799 -0.581 160 HD2 PHE 21 HD2 PHE 21 -6.312 0.114 2.036 161 HE1 PHE 21 HE1 PHE 21 -2.450 -2.755 0.710 162 HE2 PHE 21 HE2 PHE 21 -5.685 -1.880 3.448 163 HZ PHE 21 HZ PHE 21 -3.744 -3.292 2.824 164 H ALA 22 H ALA 22 -7.765 0.079 -1.686 165 HA ALA 22 HA ALA 22 -7.413 -2.795 -1.598 166 1HB ALA 22 1HB ALA 22 -9.204 -1.623 -0.334 167 2HB ALA 22 2HB ALA 22 -9.943 -1.131 -1.880 168 3HB ALA 22 3HB ALA 22 -9.840 -2.845 -1.448 169 H ARG 23 H ARG 23 -7.210 -0.654 -4.181 170 HA ARG 23 HA ARG 23 -8.199 -2.704 -6.073 171 1HB ARG 23 1HB ARG 23 -9.095 0.028 -5.573 172 2HB ARG 23 2HB ARG 23 -8.285 -0.039 -7.146 173 1HG ARG 23 1HG ARG 23 -10.348 -2.039 -6.156 174 2HG ARG 23 2HG ARG 23 -10.835 -0.573 -6.996 175 1HD ARG 23 1HD ARG 23 -8.786 -2.482 -8.216 176 2HD ARG 23 2HD ARG 23 -10.503 -2.674 -8.484 177 HE ARG 23 HE ARG 23 -10.390 -0.199 -9.220 178 1HH1 ARG 23 2HH2 ARG 23 -7.982 -2.730 -10.037 179 2HH1 ARG 23 1HH2 ARG 23 -7.861 -2.253 -11.686 180 1HH2 ARG 23 2HH1 ARG 23 -9.824 0.698 -11.282 181 2HH2 ARG 23 1HH1 ARG 23 -8.740 -0.140 -12.317 182 H ALA 24 H ALA 24 -5.633 -2.874 -5.181 183 HA ALA 24 HA ALA 24 -4.159 -1.471 -7.280 184 1HB ALA 24 1HB ALA 24 -2.059 -1.839 -5.942 185 2HB ALA 24 2HB ALA 24 -3.267 -1.166 -4.841 186 3HB ALA 24 3HB ALA 24 -2.925 -2.889 -4.809 187 H GLU 25 H GLU 25 -2.193 -3.256 -7.982 188 HA GLU 25 HA GLU 25 -3.629 -5.836 -8.183 189 1HB GLU 25 1HB GLU 25 -2.526 -4.116 -10.336 190 2HB GLU 25 2HB GLU 25 -2.183 -5.857 -10.464 191 1HG GLU 25 1HG GLU 25 -4.811 -5.958 -9.752 192 2HG GLU 25 2HG GLU 25 -4.774 -4.412 -10.618 193 H TYR 26 H TYR 26 -0.681 -4.381 -7.214 194 HA TYR 26 HA TYR 26 0.224 -7.042 -6.557 195 1HB TYR 26 1HB TYR 26 1.758 -4.960 -8.235 196 2HB TYR 26 2HB TYR 26 2.563 -6.327 -7.446 197 HD1 TYR 26 HD1 TYR 26 0.226 -5.269 -10.120 198 HD2 TYR 26 HD2 TYR 26 2.429 -8.560 -8.450 199 HE1 TYR 26 HE1 TYR 26 -0.380 -6.642 -12.075 200 HE2 TYR 26 HE2 TYR 26 1.961 -9.896 -10.474 201 HH TYR 26 HH TYR 26 -0.740 -9.011 -12.536 202 H PHE 27 H PHE 27 1.857 -6.841 -4.863 203 HA PHE 27 HA PHE 27 1.913 -4.225 -3.488 204 1HB PHE 27 1HB PHE 27 0.933 -6.826 -2.364 205 2HB PHE 27 2HB PHE 27 1.696 -5.604 -1.328 206 HD1 PHE 27 HD1 PHE 27 -1.295 -6.646 -3.030 207 HD2 PHE 27 HD2 PHE 27 0.774 -3.199 -1.475 208 HE1 PHE 27 HE1 PHE 27 -3.400 -5.371 -3.092 209 HE2 PHE 27 HE2 PHE 27 -1.326 -1.925 -1.478 210 HZ PHE 27 HZ PHE 27 -3.426 -3.015 -2.283 211 H ILE 28 H ILE 28 3.911 -3.748 -3.668 212 HA ILE 28 HA ILE 28 6.060 -5.771 -3.537 213 HB ILE 28 HB ILE 28 6.192 -2.762 -3.849 214 1HG1 ILE 28 1HG1 ILE 28 4.934 -3.424 -5.737 215 2HG1 ILE 28 2HG1 ILE 28 6.584 -3.358 -6.322 216 1HG2 ILE 28 1HG2 ILE 28 8.274 -3.706 -3.110 217 2HG2 ILE 28 2HG2 ILE 28 8.188 -5.014 -4.318 218 3HG2 ILE 28 3HG2 ILE 28 8.445 -3.347 -4.824 219 1HD1 ILE 28 1HD1 ILE 28 6.744 -5.839 -6.032 220 2HD1 ILE 28 2HD1 ILE 28 5.003 -5.886 -5.670 221 3HD1 ILE 28 3HD1 ILE 28 5.560 -5.311 -7.253 222 H ILE 29 H ILE 29 6.781 -6.427 -1.632 223 HA ILE 29 HA ILE 29 6.130 -4.773 0.765 224 HB ILE 29 HB ILE 29 6.349 -7.789 0.527 225 1HG1 ILE 29 1HG1 ILE 29 3.998 -5.943 1.169 226 2HG1 ILE 29 2HG1 ILE 29 4.249 -6.804 -0.354 227 1HG2 ILE 29 1HG2 ILE 29 5.789 -7.817 2.959 228 2HG2 ILE 29 2HG2 ILE 29 7.319 -7.020 2.671 229 3HG2 ILE 29 3HG2 ILE 29 5.880 -6.039 2.991 230 1HD1 ILE 29 1HD1 ILE 29 3.593 -7.994 2.335 231 2HD1 ILE 29 2HD1 ILE 29 2.695 -8.077 0.815 232 3HD1 ILE 29 3HD1 ILE 29 4.213 -8.975 0.977 233 H TYR 30 H TYR 30 7.827 -3.749 1.349 234 HA TYR 30 HA TYR 30 10.587 -4.789 0.796 235 1HB TYR 30 1HB TYR 30 9.725 -2.470 0.006 236 2HB TYR 30 2HB TYR 30 9.615 -2.019 1.702 237 HD1 TYR 30 HD1 TYR 30 11.592 -1.508 2.985 238 HD2 TYR 30 HD2 TYR 30 11.904 -2.933 -1.041 239 HE1 TYR 30 HE1 TYR 30 14.071 -1.040 3.017 240 HE2 TYR 30 HE2 TYR 30 14.395 -2.548 -0.987 241 HH TYR 30 HH TYR 30 16.037 -1.489 1.937 242 H ASP 31 H ASP 31 11.149 -6.051 2.431 243 HA ASP 31 HA ASP 31 10.532 -5.627 5.244 244 1HB ASP 31 1HB ASP 31 12.045 -7.595 3.544 245 2HB ASP 31 2HB ASP 31 12.635 -7.400 5.180 246 H THR 32 H THR 32 11.444 -3.674 6.070 247 HA THR 32 HA THR 32 13.953 -2.641 5.207 248 HB THR 32 HB THR 32 13.518 -1.053 7.140 249 HG1 THR 32 HG1 THR 32 12.230 -2.843 8.300 250 1HG2 THR 32 1HG2 THR 32 12.617 -0.679 4.865 251 2HG2 THR 32 2HG2 THR 32 11.097 -1.479 5.349 252 3HG2 THR 32 3HG2 THR 32 11.642 0.013 6.138 253 H GLU 33 H GLU 33 14.143 -5.403 6.479 254 HA GLU 33 HA GLU 33 16.033 -4.632 8.554 255 1HB GLU 33 1HB GLU 33 13.609 -5.917 8.854 256 2HB GLU 33 2HB GLU 33 14.605 -7.321 8.453 257 1HG GLU 33 1HG GLU 33 15.970 -7.012 10.314 258 2HG GLU 33 2HG GLU 33 15.439 -5.352 10.624 259 H SER 34 H SER 34 15.595 -6.381 5.659 260 HA SER 34 HA SER 34 18.395 -6.334 5.626 261 1HB SER 34 1HB SER 34 16.998 -8.937 6.054 262 2HB SER 34 2HB SER 34 18.233 -8.997 4.766 263 HG SER 34 HG SER 34 18.575 -7.929 7.365 264 H GLY 35 H GLY 35 16.288 -5.027 4.394 265 1HA GLY 35 1HA GLY 35 15.592 -4.124 2.493 266 2HA GLY 35 2HA GLY 35 17.164 -4.455 1.895 267 H ASN 36 H ASN 36 15.174 -7.246 2.620 268 HA ASN 36 HA ASN 36 15.177 -8.021 -0.174 269 1HB ASN 36 1HB ASN 36 15.480 -9.604 1.796 270 2HB ASN 36 2HB ASN 36 13.780 -9.337 2.197 271 1HD2 ASN 36 1HD2 ASN 36 15.561 -9.934 -0.928 272 2HD2 ASN 36 2HD2 ASN 36 14.525 -11.255 -1.410 273 H VAL 37 H VAL 37 13.333 -8.184 -1.543 274 HA VAL 37 HA VAL 37 10.895 -6.890 -0.597 275 HB VAL 37 HB VAL 37 11.702 -6.583 -3.461 276 1HG1 VAL 37 1HG1 VAL 37 10.450 -4.501 -3.176 277 2HG1 VAL 37 2HG1 VAL 37 9.472 -5.868 -2.608 278 3HG1 VAL 37 3HG1 VAL 37 10.279 -4.804 -1.439 279 1HG2 VAL 37 1HG2 VAL 37 12.750 -4.375 -2.881 280 2HG2 VAL 37 2HG2 VAL 37 12.914 -4.955 -1.204 281 3HG2 VAL 37 3HG2 VAL 37 13.749 -5.791 -2.533 282 H GLU 38 H GLU 38 9.032 -7.790 -1.228 283 HA GLU 38 HA GLU 38 9.059 -10.315 -2.833 284 1HB GLU 38 1HB GLU 38 8.538 -10.897 -0.599 285 2HB GLU 38 2HB GLU 38 7.584 -9.449 -0.335 286 1HG GLU 38 1HG GLU 38 6.142 -11.336 -0.371 287 2HG GLU 38 2HG GLU 38 5.788 -10.353 -1.778 288 H VAL 39 H VAL 39 7.272 -10.580 -4.251 289 HA VAL 39 HA VAL 39 5.570 -8.205 -4.775 290 HB VAL 39 HB VAL 39 6.058 -10.492 -6.739 291 1HG1 VAL 39 1HG1 VAL 39 4.966 -8.839 -8.297 292 2HG1 VAL 39 2HG1 VAL 39 3.907 -9.445 -7.020 293 3HG1 VAL 39 3HG1 VAL 39 4.590 -7.813 -6.908 294 1HG2 VAL 39 1HG2 VAL 39 7.289 -7.721 -6.843 295 2HG2 VAL 39 2HG2 VAL 39 8.119 -9.254 -6.567 296 3HG2 VAL 39 3HG2 VAL 39 7.344 -8.951 -8.122 297 H VAL 40 H VAL 40 3.840 -8.578 -3.561 298 HA VAL 40 HA VAL 40 2.458 -11.205 -3.627 299 HB VAL 40 HB VAL 40 2.071 -8.512 -2.341 300 1HG1 VAL 40 1HG1 VAL 40 -0.153 -8.914 -3.347 301 2HG1 VAL 40 2HG1 VAL 40 -0.182 -10.552 -2.663 302 3HG1 VAL 40 3HG1 VAL 40 -0.227 -9.126 -1.601 303 1HG2 VAL 40 1HG2 VAL 40 1.871 -11.361 -1.302 304 2HG2 VAL 40 2HG2 VAL 40 3.248 -10.257 -1.099 305 3HG2 VAL 40 3HG2 VAL 40 1.698 -9.884 -0.323 306 H GLU 41 H GLU 41 1.129 -11.566 -5.281 307 HA GLU 41 HA GLU 41 0.409 -9.526 -7.314 308 1HB GLU 41 1HB GLU 41 1.163 -11.618 -8.291 309 2HB GLU 41 2HB GLU 41 0.318 -12.552 -7.069 310 1HG GLU 41 1HG GLU 41 -1.879 -11.620 -8.103 311 2HG GLU 41 2HG GLU 41 -0.861 -11.129 -9.466 312 H ASN 42 H ASN 42 -1.804 -8.776 -7.191 313 HA ASN 42 HA ASN 42 -3.662 -10.274 -5.537 314 1HB ASN 42 1HB ASN 42 -2.463 -7.671 -4.803 315 2HB ASN 42 2HB ASN 42 -4.183 -7.541 -4.957 316 1HD2 ASN 42 1HD2 ASN 42 -3.936 -10.771 -3.898 317 2HD2 ASN 42 2HD2 ASN 42 -3.694 -10.486 -2.211 318 H THR 43 H THR 43 -4.937 -10.881 -7.290 319 HA THR 43 HA THR 43 -5.211 -9.078 -9.517 320 HB THR 43 HB THR 43 -6.531 -11.023 -10.404 321 HG1 THR 43 HG1 THR 43 -6.671 -12.854 -9.244 322 1HG2 THR 43 1HG2 THR 43 -4.648 -12.525 -10.592 323 2HG2 THR 43 2HG2 THR 43 -3.991 -10.879 -10.543 324 3HG2 THR 43 3HG2 THR 43 -3.913 -11.916 -9.099 325 H ILE 44 H ILE 44 -6.268 -7.361 -7.747 326 HA ILE 44 HA ILE 44 -8.990 -8.061 -7.059 327 HB ILE 44 HB ILE 44 -7.908 -5.326 -6.444 328 1HG1 ILE 44 1HG1 ILE 44 -5.866 -6.521 -6.000 329 2HG1 ILE 44 2HG1 ILE 44 -6.604 -6.075 -4.503 330 1HG2 ILE 44 1HG2 ILE 44 -9.937 -5.778 -5.336 331 2HG2 ILE 44 2HG2 ILE 44 -9.495 -7.477 -5.002 332 3HG2 ILE 44 3HG2 ILE 44 -8.708 -6.195 -4.098 333 1HD1 ILE 44 1HD1 ILE 44 -6.050 -8.290 -4.032 334 2HD1 ILE 44 2HD1 ILE 44 -7.673 -8.554 -4.646 335 3HD1 ILE 44 3HD1 ILE 44 -6.330 -8.805 -5.713 336 H ALA 45 H ALA 45 -10.834 -6.849 -7.613 337 HA ALA 45 HA ALA 45 -10.655 -5.227 -10.120 338 1HB ALA 45 1HB ALA 45 -12.797 -6.230 -10.771 339 2HB ALA 45 2HB ALA 45 -11.566 -7.479 -10.532 340 3HB ALA 45 3HB ALA 45 -12.816 -7.211 -9.293 341 H ASP 46 H ASP 46 -12.396 -3.688 -10.413 342 HA ASP 46 HA ASP 46 -12.840 -2.131 -7.973 343 1HB ASP 46 1HB ASP 46 -12.072 -1.423 -10.401 344 2HB ASP 46 2HB ASP 46 -13.781 -1.349 -10.732 345 H ALA 47 H ALA 47 -14.330 -4.493 -7.909 346 HA ALA 47 HA ALA 47 -17.151 -3.735 -8.531 347 1HB ALA 47 1HB ALA 47 -17.551 -6.129 -8.850 348 2HB ALA 47 2HB ALA 47 -16.209 -5.607 -9.871 349 3HB ALA 47 3HB ALA 47 -15.880 -6.507 -8.374 350 H HIS 48 H HIS 48 -18.657 -5.292 -7.071 351 HA HIS 48 HA HIS 48 -18.170 -4.656 -4.245 352 1HB HIS 48 1HB HIS 48 -20.359 -5.915 -5.876 353 2HB HIS 48 2HB HIS 48 -20.210 -6.444 -4.208 354 HD1 HIS 48 HD1 HIS 48 -20.876 -4.772 -2.334 355 HD2 HIS 48 HD2 HIS 48 -20.967 -3.239 -6.257 356 HE1 HIS 48 HE1 HIS 48 -21.906 -2.419 -2.187 357 H GLY 49 H GLY 49 -18.249 -6.574 -2.621 358 1HA GLY 49 1HA GLY 49 -17.582 -9.161 -3.116 359 2HA GLY 49 2HA GLY 49 -16.026 -8.345 -3.323 360 H THR 50 H THR 50 -16.259 -10.248 -1.369 361 HA THR 50 HA THR 50 -17.013 -9.048 1.167 362 HB THR 50 HB THR 50 -16.401 -11.536 1.789 363 HG1 THR 50 HG1 THR 50 -16.630 -12.893 -0.098 364 1HG2 THR 50 1HG2 THR 50 -18.723 -10.525 1.549 365 2HG2 THR 50 2HG2 THR 50 -18.716 -11.094 -0.134 366 3HG2 THR 50 3HG2 THR 50 -18.600 -12.257 1.201 367 H GLY 51 H GLY 51 -15.703 -9.149 2.999 368 1HA GLY 51 1HA GLY 51 -13.904 -9.039 4.308 369 2HA GLY 51 2HA GLY 51 -13.167 -10.209 3.200 370 HA PRO 52 HA PRO 52 -10.640 -6.449 2.662 371 1HB PRO 52 1HB PRO 52 -8.399 -7.129 3.991 372 2HB PRO 52 2HB PRO 52 -9.752 -6.288 4.795 373 1HG PRO 52 1HG PRO 52 -8.989 -9.168 4.934 374 2HG PRO 52 2HG PRO 52 -9.650 -8.147 6.228 375 1HD PRO 52 1HD PRO 52 -11.179 -9.919 4.655 376 2HD PRO 52 2HD PRO 52 -11.836 -8.532 5.555 377 H LYS 53 H LYS 53 -9.595 -9.855 3.055 378 HA LYS 53 HA LYS 53 -8.397 -11.263 1.817 379 1HB LYS 53 1HB LYS 53 -9.970 -11.429 0.255 380 2HB LYS 53 2HB LYS 53 -9.898 -9.772 -0.247 381 1HG LYS 53 1HG LYS 53 -7.569 -11.558 -0.939 382 2HG LYS 53 2HG LYS 53 -9.111 -11.772 -1.772 383 1HD LYS 53 1HD LYS 53 -7.421 -9.265 -1.822 384 2HD LYS 53 2HD LYS 53 -7.792 -10.367 -3.128 385 1HE LYS 53 1HE LYS 53 -9.810 -8.548 -1.698 386 2HE LYS 53 2HE LYS 53 -9.116 -8.306 -3.281 387 1HZ LYS 53 1HZ LYS 53 -11.260 -9.280 -3.524 388 2HZ LYS 53 2HZ LYS 53 -10.133 -10.389 -3.993 389 3HZ LYS 53 3HZ LYS 53 -10.916 -10.527 -2.532 390 H VAL 54 H VAL 54 -7.746 -8.084 0.304 391 HA VAL 54 HA VAL 54 -5.004 -8.622 -0.158 392 HB VAL 54 HB VAL 54 -5.741 -6.996 -1.514 393 1HG1 VAL 54 1HG1 VAL 54 -7.943 -6.595 -0.836 394 2HG1 VAL 54 2HG1 VAL 54 -7.412 -5.659 0.593 395 3HG1 VAL 54 3HG1 VAL 54 -7.149 -5.064 -1.058 396 1HG2 VAL 54 1HG2 VAL 54 -4.763 -4.858 -1.067 397 2HG2 VAL 54 2HG2 VAL 54 -4.702 -5.183 0.675 398 3HG2 VAL 54 3HG2 VAL 54 -3.712 -6.141 -0.451 399 H VAL 55 H VAL 55 -6.451 -6.405 2.262 400 HA VAL 55 HA VAL 55 -4.220 -6.102 3.992 401 HB VAL 55 HB VAL 55 -6.972 -6.077 5.162 402 1HG1 VAL 55 1HG1 VAL 55 -6.231 -3.902 6.010 403 2HG1 VAL 55 2HG1 VAL 55 -5.116 -5.198 6.442 404 3HG1 VAL 55 3HG1 VAL 55 -4.693 -4.074 5.132 405 1HG2 VAL 55 1HG2 VAL 55 -6.120 -4.246 2.870 406 2HG2 VAL 55 2HG2 VAL 55 -7.563 -5.246 2.948 407 3HG2 VAL 55 3HG2 VAL 55 -7.433 -3.845 4.011 408 H GLN 56 H GLN 56 -6.833 -8.589 4.294 409 HA GLN 56 HA GLN 56 -5.827 -9.954 6.435 410 1HB GLN 56 1HB GLN 56 -7.418 -10.693 4.058 411 2HB GLN 56 2HB GLN 56 -6.515 -12.048 4.680 412 1HG GLN 56 1HG GLN 56 -7.992 -10.476 6.742 413 2HG GLN 56 2HG GLN 56 -8.970 -11.317 5.544 414 1HE2 GLN 56 1HE2 GLN 56 -9.762 -13.155 6.459 415 2HE2 GLN 56 2HE2 GLN 56 -8.847 -14.251 7.484 416 H SER 57 H SER 57 -4.453 -9.977 3.099 417 HA SER 57 HA SER 57 -2.546 -12.112 3.687 418 1HB SER 57 1HB SER 57 -3.625 -11.496 1.373 419 2HB SER 57 2HB SER 57 -2.388 -10.235 1.314 420 HG SER 57 HG SER 57 -2.070 -13.052 1.568 421 H LEU 58 H LEU 58 -2.336 -8.595 2.981 422 HA LEU 58 HA LEU 58 0.463 -8.411 3.279 423 1HB LEU 58 1HB LEU 58 -1.652 -6.278 3.784 424 2HB LEU 58 2HB LEU 58 0.059 -5.971 3.511 425 HG LEU 58 HG LEU 58 -1.798 -7.267 1.460 426 1HD1 LEU 58 1HD1 LEU 58 -2.420 -4.952 1.876 427 2HD1 LEU 58 2HD1 LEU 58 -0.733 -4.431 1.621 428 3HD1 LEU 58 3HD1 LEU 58 -1.676 -5.127 0.280 429 1HD2 LEU 58 1HD2 LEU 58 0.489 -7.988 1.137 430 2HD2 LEU 58 2HD2 LEU 58 -0.041 -6.911 -0.136 431 3HD2 LEU 58 3HD2 LEU 58 1.047 -6.292 1.138 432 H VAL 59 H VAL 59 -2.087 -7.864 5.696 433 HA VAL 59 HA VAL 59 -0.540 -7.238 7.967 434 HB VAL 59 HB VAL 59 -3.203 -8.536 7.356 435 1HG1 VAL 59 1HG1 VAL 59 -2.202 -7.923 10.156 436 2HG1 VAL 59 2HG1 VAL 59 -3.886 -8.317 9.697 437 3HG1 VAL 59 3HG1 VAL 59 -2.621 -9.528 9.507 438 1HG2 VAL 59 1HG2 VAL 59 -4.083 -6.410 8.269 439 2HG2 VAL 59 2HG2 VAL 59 -2.421 -5.853 8.523 440 3HG2 VAL 59 3HG2 VAL 59 -3.013 -6.160 6.886 441 H SER 60 H SER 60 -1.410 -10.446 6.539 442 HA SER 60 HA SER 60 0.094 -11.891 8.549 443 1HB SER 60 1HB SER 60 -1.549 -12.593 6.101 444 2HB SER 60 2HB SER 60 -0.520 -13.799 6.890 445 HG SER 60 HG SER 60 -1.514 -13.579 8.741 446 H LYS 61 H LYS 61 1.287 -9.946 6.170 447 HA LYS 61 HA LYS 61 3.801 -11.496 6.391 448 1HB LYS 61 1HB LYS 61 3.158 -9.651 4.058 449 2HB LYS 61 2HB LYS 61 4.679 -10.462 4.392 450 1HG LYS 61 1HG LYS 61 3.936 -11.924 2.889 451 2HG LYS 61 2HG LYS 61 3.188 -12.663 4.319 452 1HD LYS 61 1HD LYS 61 1.083 -12.243 3.600 453 2HD LYS 61 2HD LYS 61 1.492 -10.632 2.982 454 1HE LYS 61 1HE LYS 61 0.837 -11.974 1.119 455 2HE LYS 61 2HE LYS 61 2.580 -11.664 1.012 456 1HZ LYS 61 1HZ LYS 61 2.165 -13.912 0.518 457 2HZ LYS 61 2HZ LYS 61 2.933 -13.910 1.931 458 3HZ LYS 61 3HZ LYS 61 1.295 -14.182 1.880 459 H GLY 62 H GLY 62 2.482 -9.805 8.277 460 1HA GLY 62 1HA GLY 62 3.001 -8.316 9.771 461 2HA GLY 62 2HA GLY 62 4.679 -8.546 9.261 462 H VAL 63 H VAL 63 2.482 -7.086 6.960 463 HA VAL 63 HA VAL 63 4.102 -4.818 6.576 464 HB VAL 63 HB VAL 63 1.352 -5.687 5.677 465 1HG1 VAL 63 1HG1 VAL 63 1.329 -4.047 3.928 466 2HG1 VAL 63 2HG1 VAL 63 1.323 -3.244 5.466 467 3HG1 VAL 63 3HG1 VAL 63 2.844 -3.325 4.546 468 1HG2 VAL 63 1HG2 VAL 63 3.326 -6.977 4.841 469 2HG2 VAL 63 2HG2 VAL 63 2.506 -6.118 3.543 470 3HG2 VAL 63 3HG2 VAL 63 4.019 -5.474 4.215 471 H GLU 64 H GLU 64 4.405 -3.712 8.511 472 HA GLU 64 HA GLU 64 2.128 -2.618 10.070 473 1HB GLU 64 1HB GLU 64 5.156 -2.815 10.199 474 2HB GLU 64 2HB GLU 64 4.394 -1.724 11.282 475 1HG GLU 64 1HG GLU 64 3.124 -4.436 11.232 476 2HG GLU 64 2HG GLU 64 4.832 -4.472 11.634 477 H TYR 65 H TYR 65 2.546 -1.611 7.273 478 HA TYR 65 HA TYR 65 2.500 1.220 7.579 479 1HB TYR 65 1HB TYR 65 5.010 -0.204 6.636 480 2HB TYR 65 2HB TYR 65 4.559 1.397 6.082 481 HD1 TYR 65 HD1 TYR 65 4.003 3.221 7.924 482 HD2 TYR 65 HD2 TYR 65 6.782 -0.008 8.065 483 HE1 TYR 65 HE1 TYR 65 5.380 4.517 9.555 484 HE2 TYR 65 HE2 TYR 65 8.206 1.267 9.665 485 HH TYR 65 HH TYR 65 7.308 4.491 10.948 486 H LEU 66 H LEU 66 2.559 2.130 5.237 487 HA LEU 66 HA LEU 66 2.292 0.351 2.991 488 1HB LEU 66 1HB LEU 66 0.190 -0.265 3.828 489 2HB LEU 66 2HB LEU 66 -0.122 1.325 4.500 490 HG LEU 66 HG LEU 66 -0.489 2.287 2.320 491 1HD1 LEU 66 1HD1 LEU 66 -0.123 -0.562 1.274 492 2HD1 LEU 66 2HD1 LEU 66 -1.135 0.617 0.412 493 3HD1 LEU 66 3HD1 LEU 66 0.554 0.942 0.617 494 1HD2 LEU 66 1HD2 LEU 66 -2.717 1.330 1.990 495 2HD2 LEU 66 2HD2 LEU 66 -2.231 -0.149 2.857 496 3HD2 LEU 66 3HD2 LEU 66 -2.345 1.396 3.708 497 H ILE 67 H ILE 67 2.300 1.663 1.051 498 HA ILE 67 HA ILE 67 2.270 4.637 1.443 499 HB ILE 67 HB ILE 67 3.879 2.903 -0.498 500 1HG1 ILE 67 1HG1 ILE 67 4.945 4.826 1.640 501 2HG1 ILE 67 2HG1 ILE 67 4.708 3.145 2.050 502 1HG2 ILE 67 1HG2 ILE 67 3.464 4.926 -1.662 503 2HG2 ILE 67 2HG2 ILE 67 3.627 5.930 -0.190 504 3HG2 ILE 67 3HG2 ILE 67 5.052 5.195 -0.923 505 1HD1 ILE 67 1HD1 ILE 67 6.364 3.519 -0.355 506 2HD1 ILE 67 2HD1 ILE 67 7.045 3.998 1.209 507 3HD1 ILE 67 3HD1 ILE 67 6.450 2.339 0.941 508 H ALA 68 H ALA 68 0.216 5.247 0.666 509 HA ALA 68 HA ALA 68 -0.611 4.264 -1.961 510 1HB ALA 68 1HB ALA 68 -1.550 2.514 -0.530 511 2HB ALA 68 2HB ALA 68 -2.282 3.727 0.546 512 3HB ALA 68 3HB ALA 68 -2.849 3.554 -1.134 513 H SER 69 H SER 69 -1.308 6.051 -2.936 514 HA SER 69 HA SER 69 -1.435 8.600 -1.690 515 1HB SER 69 1HB SER 69 -2.542 9.433 -3.704 516 2HB SER 69 2HB SER 69 -1.205 8.385 -4.156 517 HG SER 69 HG SER 69 -2.935 7.907 -5.391 518 H ASN 70 H ASN 70 -3.987 6.166 -2.105 519 HA ASN 70 HA ASN 70 -5.672 7.488 -0.254 520 1HB ASN 70 1HB ASN 70 -6.045 8.118 -3.087 521 2HB ASN 70 2HB ASN 70 -7.352 7.094 -2.611 522 1HD2 ASN 70 1HD2 ASN 70 -5.526 9.820 -0.972 523 2HD2 ASN 70 2HD2 ASN 70 -6.974 10.630 -0.394 524 H VAL 71 H VAL 71 -7.839 5.996 -0.357 525 HA VAL 71 HA VAL 71 -6.754 3.253 -0.429 526 HB VAL 71 HB VAL 71 -7.510 4.397 1.784 527 1HG1 VAL 71 1HG1 VAL 71 -9.855 5.004 0.937 528 2HG1 VAL 71 2HG1 VAL 71 -10.172 3.236 1.035 529 3HG1 VAL 71 3HG1 VAL 71 -9.711 4.128 2.482 530 1HG2 VAL 71 1HG2 VAL 71 -8.312 1.640 0.914 531 2HG2 VAL 71 2HG2 VAL 71 -6.793 2.210 1.728 532 3HG2 VAL 71 3HG2 VAL 71 -8.328 2.198 2.604 533 H GLY 72 H GLY 72 -8.062 1.708 -1.413 534 1HA GLY 72 1HA GLY 72 -9.735 2.710 -3.636 535 2HA GLY 72 2HA GLY 72 -9.175 1.056 -3.460 536 H ARG 73 H ARG 73 -10.697 3.053 -0.929 537 HA ARG 73 HA ARG 73 -12.432 2.814 0.451 538 1HB ARG 73 1HB ARG 73 -13.661 2.715 -1.864 539 2HB ARG 73 2HB ARG 73 -13.929 1.018 -1.452 540 1HG ARG 73 1HG ARG 73 -14.848 2.049 0.820 541 2HG ARG 73 2HG ARG 73 -14.977 3.529 -0.109 542 1HD ARG 73 1HD ARG 73 -16.243 0.850 -0.894 543 2HD ARG 73 2HD ARG 73 -17.068 2.124 -0.012 544 HE ARG 73 HE ARG 73 -17.217 3.451 -1.838 545 1HH1 ARG 73 2HH2 ARG 73 -15.324 0.568 -2.794 546 2HH1 ARG 73 1HH2 ARG 73 -15.868 0.614 -4.441 547 1HH2 ARG 73 2HH1 ARG 73 -17.666 3.622 -4.129 548 2HH2 ARG 73 1HH1 ARG 73 -16.947 2.493 -5.218 549 H ASN 74 H ASN 74 -13.981 0.466 0.988 550 HA ASN 74 HA ASN 74 -13.690 -1.202 2.535 551 1HB ASN 74 1HB ASN 74 -14.622 -1.988 0.362 552 2HB ASN 74 2HB ASN 74 -13.007 -2.442 -0.160 553 1HD2 ASN 74 1HD2 ASN 74 -12.029 -4.341 0.838 554 2HD2 ASN 74 2HD2 ASN 74 -13.014 -5.536 1.661 555 H ALA 75 H ALA 75 -11.721 -0.257 3.620 556 HA ALA 75 HA ALA 75 -9.804 -2.290 4.114 557 1HB ALA 75 1HB ALA 75 -8.729 -1.814 2.005 558 2HB ALA 75 2HB ALA 75 -8.970 -0.065 2.206 559 3HB ALA 75 3HB ALA 75 -7.797 -0.953 3.222 560 H PHE 76 H PHE 76 -10.802 1.121 4.738 561 HA PHE 76 HA PHE 76 -8.188 1.781 5.784 562 1HB PHE 76 1HB PHE 76 -9.402 3.455 4.773 563 2HB PHE 76 2HB PHE 76 -10.874 3.132 5.686 564 HD1 PHE 76 HD1 PHE 76 -11.359 4.301 7.695 565 HD2 PHE 76 HD2 PHE 76 -7.386 4.556 6.005 566 HE1 PHE 76 HE1 PHE 76 -10.874 6.257 9.112 567 HE2 PHE 76 HE2 PHE 76 -6.913 6.509 7.422 568 HZ PHE 76 HZ PHE 76 -8.675 7.384 8.988 569 H GLU 77 H GLU 77 -11.246 0.782 7.202 570 HA GLU 77 HA GLU 77 -10.450 1.106 9.949 571 1HB GLU 77 1HB GLU 77 -12.508 -0.881 8.919 572 2HB GLU 77 2HB GLU 77 -12.437 -0.063 10.478 573 1HG GLU 77 1HG GLU 77 -14.027 1.281 9.511 574 2HG GLU 77 2HG GLU 77 -12.589 2.128 8.885 575 H THR 78 H THR 78 -9.960 -1.446 7.475 576 HA THR 78 HA THR 78 -9.174 -3.437 9.397 577 HB THR 78 HB THR 78 -8.646 -3.762 6.447 578 HG1 THR 78 HG1 THR 78 -10.848 -4.022 6.015 579 1HG2 THR 78 1HG2 THR 78 -10.027 -5.417 8.606 580 2HG2 THR 78 2HG2 THR 78 -9.780 -5.938 6.940 581 3HG2 THR 78 3HG2 THR 78 -8.377 -5.643 7.975 582 H LEU 79 H LEU 79 -7.735 -0.736 7.939 583 HA LEU 79 HA LEU 79 -4.980 -1.758 7.891 584 1HB LEU 79 1HB LEU 79 -6.249 0.969 7.422 585 2HB LEU 79 2HB LEU 79 -4.520 0.800 7.552 586 HG LEU 79 HG LEU 79 -6.120 -0.857 5.564 587 1HD1 LEU 79 1HD1 LEU 79 -6.567 0.922 4.353 588 2HD1 LEU 79 2HD1 LEU 79 -5.618 1.996 5.383 589 3HD1 LEU 79 3HD1 LEU 79 -4.839 1.107 4.051 590 1HD2 LEU 79 1HD2 LEU 79 -3.765 -0.910 4.506 591 2HD2 LEU 79 2HD2 LEU 79 -3.196 -0.157 5.975 592 3HD2 LEU 79 3HD2 LEU 79 -3.959 -1.772 6.017 593 H LYS 80 H LYS 80 -6.647 0.840 9.763 594 HA LYS 80 HA LYS 80 -4.557 1.038 11.676 595 1HB LYS 80 1HB LYS 80 -6.415 2.128 13.013 596 2HB LYS 80 2HB LYS 80 -5.898 2.842 11.495 597 1HG LYS 80 1HG LYS 80 -8.072 1.282 10.696 598 2HG LYS 80 2HG LYS 80 -8.517 1.734 12.337 599 1HD LYS 80 1HD LYS 80 -9.384 3.285 10.608 600 2HD LYS 80 2HD LYS 80 -8.335 4.127 11.750 601 1HE LYS 80 1HE LYS 80 -7.059 2.985 9.277 602 2HE LYS 80 2HE LYS 80 -8.202 4.295 9.042 603 1HZ LYS 80 1HZ LYS 80 -5.769 4.458 10.718 604 2HZ LYS 80 2HZ LYS 80 -5.955 5.092 9.241 605 3HZ LYS 80 3HZ LYS 80 -6.853 5.689 10.477 606 H ALA 81 H ALA 81 -7.460 -1.048 11.549 607 HA ALA 81 HA ALA 81 -7.191 -2.179 14.121 608 1HB ALA 81 1HB ALA 81 -9.152 -2.564 12.729 609 2HB ALA 81 2HB ALA 81 -8.166 -3.480 11.552 610 3HB ALA 81 3HB ALA 81 -8.412 -4.102 13.193 611 H ALA 82 H ALA 82 -4.962 -2.514 11.426 612 HA ALA 82 HA ALA 82 -3.579 -4.688 12.926 613 1HB ALA 82 1HB ALA 82 -4.500 -5.390 10.700 614 2HB ALA 82 2HB ALA 82 -3.522 -4.095 9.951 615 3HB ALA 82 3HB ALA 82 -2.730 -5.436 10.795 616 H GLY 83 H GLY 83 -3.455 -1.843 13.419 617 1HA GLY 83 1HA GLY 83 -2.154 -0.071 13.568 618 2HA GLY 83 2HA GLY 83 -0.874 -1.232 13.944 619 H VAL 84 H VAL 84 -2.394 -0.754 10.714 620 HA VAL 84 HA VAL 84 0.245 -0.532 9.622 621 HB VAL 84 HB VAL 84 -2.441 -0.361 8.215 622 1HG1 VAL 84 1HG1 VAL 84 -1.180 -1.229 6.252 623 2HG1 VAL 84 2HG1 VAL 84 -0.491 0.319 6.790 624 3HG1 VAL 84 3HG1 VAL 84 0.299 -1.225 7.197 625 1HG2 VAL 84 1HG2 VAL 84 -2.228 -2.775 7.846 626 2HG2 VAL 84 2HG2 VAL 84 -0.773 -2.797 8.888 627 3HG2 VAL 84 3HG2 VAL 84 -2.339 -2.370 9.551 628 H LYS 85 H LYS 85 1.416 1.332 9.604 629 HA LYS 85 HA LYS 85 -0.049 3.808 9.638 630 1HB LYS 85 1HB LYS 85 2.744 3.079 10.136 631 2HB LYS 85 2HB LYS 85 2.624 4.516 9.107 632 1HG LYS 85 1HG LYS 85 1.041 5.540 10.720 633 2HG LYS 85 2HG LYS 85 1.347 4.168 11.824 634 1HD LYS 85 1HD LYS 85 3.859 4.828 11.650 635 2HD LYS 85 2HD LYS 85 3.294 6.274 10.797 636 1HE LYS 85 1HE LYS 85 1.637 6.410 12.926 637 2HE LYS 85 2HE LYS 85 2.915 5.466 13.706 638 1HZ LYS 85 1HZ LYS 85 3.224 7.807 14.031 639 2HZ LYS 85 2HZ LYS 85 4.441 7.322 13.010 640 3HZ LYS 85 3HZ LYS 85 3.093 8.118 12.455 641 H VAL 86 H VAL 86 -1.018 4.486 7.831 642 HA VAL 86 HA VAL 86 -0.078 3.636 5.142 643 HB VAL 86 HB VAL 86 -2.554 5.148 6.078 644 1HG1 VAL 86 1HG1 VAL 86 -2.035 5.573 3.701 645 2HG1 VAL 86 2HG1 VAL 86 -1.940 3.835 3.395 646 3HG1 VAL 86 3HG1 VAL 86 -3.488 4.587 3.887 647 1HG2 VAL 86 1HG2 VAL 86 -3.585 2.824 5.494 648 2HG2 VAL 86 2HG2 VAL 86 -1.935 2.198 5.735 649 3HG2 VAL 86 3HG2 VAL 86 -2.779 3.025 7.043 650 H TYR 87 H TYR 87 1.196 4.963 3.991 651 HA TYR 87 HA TYR 87 1.434 7.828 4.624 652 1HB TYR 87 1HB TYR 87 3.161 5.770 3.259 653 2HB TYR 87 2HB TYR 87 3.253 7.388 2.651 654 HD1 TYR 87 HD1 TYR 87 4.516 8.987 3.732 655 HD2 TYR 87 HD2 TYR 87 3.436 5.457 5.954 656 HE1 TYR 87 HE1 TYR 87 5.940 9.743 5.559 657 HE2 TYR 87 HE2 TYR 87 4.855 6.228 7.835 658 HH TYR 87 HH TYR 87 6.460 9.416 7.785 659 H ARG 88 H ARG 88 1.379 9.247 2.903 660 HA ARG 88 HA ARG 88 -0.531 8.805 0.684 661 1HB ARG 88 1HB ARG 88 -0.327 11.004 2.027 662 2HB ARG 88 2HB ARG 88 1.333 11.117 1.472 663 1HG ARG 88 1HG ARG 88 0.293 12.608 0.062 664 2HG ARG 88 2HG ARG 88 0.334 11.205 -0.951 665 1HD ARG 88 1HD ARG 88 -1.993 10.636 -0.349 666 2HD ARG 88 2HD ARG 88 -2.023 12.008 0.785 667 HE ARG 88 HE ARG 88 -1.444 12.570 -2.082 668 1HH1 ARG 88 2HH2 ARG 88 -3.888 12.694 0.520 669 2HH1 ARG 88 1HH2 ARG 88 -4.899 13.783 -0.417 670 1HH2 ARG 88 2HH1 ARG 88 -2.631 14.087 -3.067 671 2HH2 ARG 88 1HH1 ARG 88 -4.186 14.637 -2.442 672 H PHE 89 H PHE 89 0.287 8.975 -1.505 673 HA PHE 89 HA PHE 89 2.981 9.762 -1.959 674 1HB PHE 89 1HB PHE 89 3.858 7.821 -2.611 675 2HB PHE 89 2HB PHE 89 2.408 6.983 -2.173 676 HD1 PHE 89 HD1 PHE 89 0.391 7.148 -3.767 677 HD2 PHE 89 HD2 PHE 89 4.504 7.459 -5.058 678 HE1 PHE 89 HE1 PHE 89 -0.330 6.778 -6.121 679 HE2 PHE 89 HE2 PHE 89 3.809 6.962 -7.275 680 HZ PHE 89 HZ PHE 89 1.388 6.712 -7.910 681 H GLU 90 H GLU 90 3.003 10.544 -4.346 682 HA GLU 90 HA GLU 90 0.284 11.275 -5.328 683 1HB GLU 90 1HB GLU 90 1.482 12.926 -3.674 684 2HB GLU 90 2HB GLU 90 2.545 13.269 -5.021 685 1HG GLU 90 1HG GLU 90 1.017 14.877 -5.535 686 2HG GLU 90 2HG GLU 90 0.065 13.569 -6.239 687 H GLY 91 H GLY 91 2.110 9.339 -6.543 688 1HA GLY 91 1HA GLY 91 1.977 8.937 -8.907 689 2HA GLY 91 2HA GLY 91 2.236 10.645 -9.229 690 H GLY 92 H GLY 92 3.708 7.622 -9.241 691 1HA GLY 92 1HA GLY 92 6.489 8.307 -9.654 692 2HA GLY 92 2HA GLY 92 6.091 7.850 -8.009 693 H THR 93 H THR 93 7.772 6.190 -9.612 694 HA THR 93 HA THR 93 6.088 3.798 -10.123 695 HB THR 93 HB THR 93 8.182 2.779 -10.883 696 HG1 THR 93 HG1 THR 93 9.453 5.285 -10.905 697 1HG2 THR 93 1HG2 THR 93 7.518 5.402 -12.285 698 2HG2 THR 93 2HG2 THR 93 8.349 4.003 -13.004 699 3HG2 THR 93 3HG2 THR 93 6.654 3.882 -12.484 700 H VAL 94 H VAL 94 6.827 1.751 -9.024 701 HA VAL 94 HA VAL 94 6.529 1.788 -6.407 702 HB VAL 94 HB VAL 94 8.538 0.005 -7.715 703 1HG1 VAL 94 1HG1 VAL 94 6.641 -0.613 -5.428 704 2HG1 VAL 94 2HG1 VAL 94 7.918 -1.645 -6.106 705 3HG1 VAL 94 3HG1 VAL 94 8.354 -0.187 -5.221 706 1HG2 VAL 94 1HG2 VAL 94 5.617 0.085 -8.190 707 2HG2 VAL 94 2HG2 VAL 94 6.950 -0.488 -9.185 708 3HG2 VAL 94 3HG2 VAL 94 6.330 -1.512 -7.907 709 H GLN 95 H GLN 95 9.872 2.101 -7.815 710 HA GLN 95 HA GLN 95 11.010 2.408 -5.311 711 1HB GLN 95 1HB GLN 95 12.071 2.074 -7.722 712 2HB GLN 95 2HB GLN 95 12.255 3.839 -7.668 713 1HG GLN 95 1HG GLN 95 13.677 3.734 -5.757 714 2HG GLN 95 2HG GLN 95 13.163 2.096 -5.366 715 1HE2 GLN 95 1HE2 GLN 95 15.757 2.455 -5.258 716 2HE2 GLN 95 2HE2 GLN 95 16.565 1.620 -6.561 717 H GLU 96 H GLU 96 9.264 4.957 -6.952 718 HA GLU 96 HA GLU 96 10.539 7.178 -5.572 719 1HB GLU 96 1HB GLU 96 7.959 6.738 -7.090 720 2HB GLU 96 2HB GLU 96 8.283 8.244 -6.263 721 1HG GLU 96 1HG GLU 96 9.736 7.099 -8.635 722 2HG GLU 96 2HG GLU 96 8.741 8.548 -8.569 723 H ALA 97 H ALA 97 7.546 5.135 -5.194 724 HA ALA 97 HA ALA 97 6.520 6.429 -2.926 725 1HB ALA 97 1HB ALA 97 5.829 3.890 -2.421 726 2HB ALA 97 2HB ALA 97 5.161 4.772 -3.805 727 3HB ALA 97 3HB ALA 97 6.489 3.614 -4.011 728 H ILE 98 H ILE 98 9.415 4.502 -3.146 729 HA ILE 98 HA ILE 98 9.704 4.229 -0.201 730 HB ILE 98 HB ILE 98 11.768 3.443 -2.304 731 1HG1 ILE 98 1HG1 ILE 98 9.880 2.685 -3.227 732 2HG1 ILE 98 2HG1 ILE 98 10.778 1.285 -2.603 733 1HG2 ILE 98 1HG2 ILE 98 10.982 2.274 0.415 734 2HG2 ILE 98 2HG2 ILE 98 12.246 1.620 -0.640 735 3HG2 ILE 98 3HG2 ILE 98 12.421 3.243 0.070 736 1HD1 ILE 98 1HD1 ILE 98 8.228 2.488 -1.373 737 2HD1 ILE 98 2HD1 ILE 98 8.454 0.917 -2.186 738 3HD1 ILE 98 3HD1 ILE 98 9.227 1.237 -0.607 739 H ASP 99 H ASP 99 11.579 5.476 -3.022 740 HA ASP 99 HA ASP 99 13.591 6.724 -1.574 741 1HB ASP 99 1HB ASP 99 12.422 7.054 -4.318 742 2HB ASP 99 2HB ASP 99 13.357 8.400 -3.690 743 H ALA 100 H ALA 100 10.340 7.792 -2.356 744 HA ALA 100 HA ALA 100 10.810 10.568 -1.505 745 1HB ALA 100 1HB ALA 100 8.386 10.820 -1.728 746 2HB ALA 100 2HB ALA 100 9.062 9.965 -3.131 747 3HB ALA 100 3HB ALA 100 8.197 9.057 -1.886 748 H PHE 101 H PHE 101 9.198 7.769 -0.001 749 HA PHE 101 HA PHE 101 8.690 8.807 2.603 750 1HB PHE 101 1HB PHE 101 7.634 6.836 2.166 751 2HB PHE 101 2HB PHE 101 8.969 6.130 1.283 752 HD1 PHE 101 HD1 PHE 101 7.166 6.096 4.403 753 HD2 PHE 101 HD2 PHE 101 10.850 5.014 2.441 754 HE1 PHE 101 HE1 PHE 101 7.756 4.644 6.306 755 HE2 PHE 101 HE2 PHE 101 11.477 3.630 4.404 756 HZ PHE 101 HZ PHE 101 9.925 3.442 6.338 757 H SER 102 H SER 102 11.519 7.271 1.246 758 HA SER 102 HA SER 102 12.980 6.922 3.629 759 1HB SER 102 1HB SER 102 14.671 6.056 2.290 760 2HB SER 102 2HB SER 102 13.214 5.792 1.321 761 HG SER 102 HG SER 102 13.855 7.870 0.252 762 H GLU 103 H GLU 103 12.883 9.618 1.311 763 HA GLU 103 HA GLU 103 14.759 11.204 3.025 764 1HB GLU 103 1HB GLU 103 13.643 11.794 0.243 765 2HB GLU 103 2HB GLU 103 14.964 12.612 1.062 766 1HG GLU 103 1HG GLU 103 15.796 9.869 0.847 767 2HG GLU 103 2HG GLU 103 14.977 10.241 -0.659 768 H GLY 104 H GLY 104 12.072 10.463 3.787 769 1HA GLY 104 1HA GLY 104 10.259 11.332 4.746 770 2HA GLY 104 2HA GLY 104 11.374 12.670 5.159 771 H ARG 105 H ARG 105 10.472 12.123 1.798 772 HA ARG 105 HA ARG 105 8.816 14.613 1.779 773 1HB ARG 105 1HB ARG 105 10.092 12.932 -0.449 774 2HB ARG 105 2HB ARG 105 9.009 14.317 -0.690 775 1HG ARG 105 1HG ARG 105 10.611 15.761 0.575 776 2HG ARG 105 2HG ARG 105 11.794 14.429 0.441 777 1HD ARG 105 1HD ARG 105 11.593 14.471 -2.001 778 2HD ARG 105 2HD ARG 105 10.286 15.652 -1.913 779 HE ARG 105 HE ARG 105 11.730 17.342 -1.496 780 1HH1 ARG 105 2HH2 ARG 105 13.553 14.301 -1.797 781 2HH1 ARG 105 1HH2 ARG 105 15.106 15.003 -1.536 782 1HH2 ARG 105 2HH1 ARG 105 13.753 18.303 -1.086 783 2HH2 ARG 105 1HH1 ARG 105 15.221 17.405 -1.414 784 H LEU 106 H LEU 106 7.613 12.252 3.022 785 HA LEU 106 HA LEU 106 5.316 12.319 1.300 786 1HB LEU 106 1HB LEU 106 6.371 9.684 2.426 787 2HB LEU 106 2HB LEU 106 4.737 9.983 1.822 788 HG LEU 106 HG LEU 106 7.266 10.088 0.203 789 1HD1 LEU 106 1HD1 LEU 106 6.288 7.790 0.984 790 2HD1 LEU 106 2HD1 LEU 106 4.958 8.102 -0.100 791 3HD1 LEU 106 3HD1 LEU 106 6.587 7.981 -0.750 792 1HD2 LEU 106 1HD2 LEU 106 4.326 10.509 -0.532 793 2HD2 LEU 106 2HD2 LEU 106 5.673 11.528 -0.997 794 3HD2 LEU 106 3HD2 LEU 106 5.505 9.959 -1.747 795 H GLU 107 H GLU 107 3.439 11.297 2.629 796 HA GLU 107 HA GLU 107 3.641 12.664 5.241 797 1HB GLU 107 1HB GLU 107 1.418 12.677 3.151 798 2HB GLU 107 2HB GLU 107 1.306 13.461 4.727 799 1HG GLU 107 1HG GLU 107 3.519 14.085 2.734 800 2HG GLU 107 2HG GLU 107 1.987 14.969 2.774 801 H GLU 108 H GLU 108 2.502 11.836 6.915 802 HA GLU 108 HA GLU 108 1.694 9.017 6.668 803 1HB GLU 108 1HB GLU 108 2.952 10.232 8.585 804 2HB GLU 108 2HB GLU 108 1.345 10.788 9.090 805 1HG GLU 108 1HG GLU 108 0.619 8.329 9.041 806 2HG GLU 108 2HG GLU 108 2.310 7.911 8.733 807 H LEU 109 H LEU 109 -0.075 8.728 5.567 808 HA LEU 109 HA LEU 109 -2.427 10.452 5.800 809 1HB LEU 109 1HB LEU 109 -1.536 9.528 3.595 810 2HB LEU 109 2HB LEU 109 -2.130 7.952 4.143 811 HG LEU 109 HG LEU 109 -4.406 9.158 4.503 812 1HD1 LEU 109 1HD1 LEU 109 -3.058 11.226 2.724 813 2HD1 LEU 109 2HD1 LEU 109 -4.800 11.144 3.071 814 3HD1 LEU 109 3HD1 LEU 109 -3.659 11.496 4.369 815 1HD2 LEU 109 1HD2 LEU 109 -5.081 8.932 2.218 816 2HD2 LEU 109 2HD2 LEU 109 -3.375 8.924 1.664 817 3HD2 LEU 109 3HD2 LEU 109 -4.000 7.599 2.672 818 H THR 110 H THR 110 -1.802 9.604 8.207 819 HA THR 110 HA THR 110 -3.262 7.230 8.969 820 HB THR 110 HB THR 110 -1.231 7.514 9.976 821 HG1 THR 110 HG1 THR 110 -2.101 7.223 12.102 822 1HG2 THR 110 1HG2 THR 110 -1.296 9.871 9.994 823 2HG2 THR 110 2HG2 THR 110 -2.689 9.862 11.085 824 3HG2 THR 110 3HG2 THR 110 -1.099 9.298 11.676 825 H THR 111 H THR 111 -4.817 8.990 7.443 826 HA THR 111 HA THR 111 -7.178 9.325 8.875 827 HB THR 111 HB THR 111 -5.979 11.097 10.108 828 HG1 THR 111 HG1 THR 111 -7.830 11.813 10.186 829 1HG2 THR 111 1HG2 THR 111 -5.743 12.680 7.537 830 2HG2 THR 111 2HG2 THR 111 -5.209 13.120 9.168 831 3HG2 THR 111 3HG2 THR 111 -4.383 11.822 8.306 832 H PHE 112 H PHE 112 -8.673 9.277 7.286 833 HA PHE 112 HA PHE 112 -8.174 10.626 4.694 834 1HB PHE 112 1HB PHE 112 -9.953 8.294 5.497 835 2HB PHE 112 2HB PHE 112 -10.343 9.322 4.124 836 HD1 PHE 112 HD1 PHE 112 -9.533 8.742 2.005 837 HD2 PHE 112 HD2 PHE 112 -7.340 7.485 5.489 838 HE1 PHE 112 HE1 PHE 112 -7.921 7.601 0.594 839 HE2 PHE 112 HE2 PHE 112 -5.737 6.276 4.071 840 HZ PHE 112 HZ PHE 112 -5.975 6.336 1.625 841 H THR 113 H THR 113 -9.197 12.543 4.561 842 HA THR 113 HA THR 113 -11.178 13.407 6.485 843 HB THR 113 HB THR 113 -10.411 14.774 3.958 844 HG1 THR 113 HG1 THR 113 -8.790 14.497 6.281 845 1HG2 THR 113 1HG2 THR 113 -10.951 15.766 6.794 846 2HG2 THR 113 2HG2 THR 113 -10.625 16.805 5.406 847 3HG2 THR 113 3HG2 THR 113 -12.091 15.825 5.434 848 H ARG 114 H ARG 114 -12.269 11.252 5.488 849 HA ARG 114 HA ARG 114 -14.278 12.086 3.424 850 1HB ARG 114 1HB ARG 114 -13.104 10.329 2.445 851 2HB ARG 114 2HB ARG 114 -12.972 9.409 3.942 852 1HG ARG 114 1HG ARG 114 -14.532 8.304 2.424 853 2HG ARG 114 2HG ARG 114 -15.280 8.759 3.931 854 1HD ARG 114 1HD ARG 114 -16.945 9.384 2.566 855 2HD ARG 114 2HD ARG 114 -16.065 10.896 2.534 856 HE ARG 114 HE ARG 114 -15.748 8.708 0.522 857 1HH1 ARG 114 2HH2 ARG 114 -16.764 12.057 1.117 858 2HH1 ARG 114 1HH2 ARG 114 -16.924 12.457 -0.552 859 1HH2 ARG 114 2HH1 ARG 114 -15.995 9.246 -1.732 860 2HH2 ARG 114 1HH1 ARG 114 -16.702 10.767 -2.164 861 H GLU 115 H GLU 115 -15.620 13.107 4.895 862 HA GLU 115 HA GLU 115 -16.330 11.805 7.371 863 1HB GLU 115 1HB GLU 115 -15.989 14.337 6.775 864 2HB GLU 115 2HB GLU 115 -17.637 14.273 6.188 865 1HG GLU 115 1HG GLU 115 -17.808 14.990 8.453 866 2HG GLU 115 2HG GLU 115 -18.238 13.269 8.519 867 H GLY 116 H GLY 116 -16.990 10.029 5.461 868 1HA GLY 116 1HA GLY 116 -18.719 8.562 4.994 869 2HA GLY 116 2HA GLY 116 -19.852 9.671 5.792
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